diff --git "a/B1WC68_molecules.csv" "b/B1WC68_molecules.csv"
--- "a/B1WC68_molecules.csv"
+++ "b/B1WC68_molecules.csv"
@@ -1,85604 +1,3 @@
-Molecule_ID,SMILES,InChI_Key
-005F0F84742B807F_BD42C109F16929F2_6029_UN,ClC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,UTRNYGHQEIUZAO-UHFFFAOYSA-N
-00B432A4FEF0C700_76B5054D86A4ED28_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=NC=C4,RIDYPBOZJQBLSW-UHFFFAOYSA-N
-00BB3CB1387B8523_3C5B930AA74C9B2A_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,XAAUVEZBMJEJRS-UHFFFAOYSA-N
-00BF6D138AC05569_112885EDC69FA353_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O)CC3=CN=CC=C3,OTOGHDXTVBJAOX-UHFFFAOYSA-N
-00D89C8AA9D9DAF8_C6CF8038D393C13A_6029_UN,N(CC1C(C2(CC1)CCC2)O)[S](C3=NC(=CS3)CO[Si](C(C)(C)C)(C)C)(=O)=O,KBFXOKSAGPLZCS-UHFFFAOYSA-N
-014AE821E2578354_95A9C016747C40A9_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)N2CC(CCCCCC)CCC2)Cl,ISDDFBRELBXUMC-UHFFFAOYSA-N
-0197E4A73875E83E_0E8D780FB0772B91_6038_UN,CN1CCCN(CC1)C4=C(CNC(C(=CC2=C(C)[N](C(=C2)C)C3=C(C(=CC=C3)Cl)Cl)C#N)=O)C(=N[N]4C)C,QOINOSASOAWFFF-UHFFFAOYSA-N
-01DC58966A21D060_7448E5EAC05F3646_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)[C@@]4(C)NCCC4,HBVNTAUNWMODEZ-KRWDZBQOSA-N
-01EFF33EAE68BDBF_553A082F4187D224_6029_UN,CCC3(N[S](C2=CC=C([C@@H]1C[C@H]1[S](Cl)(=O)=O)C=C2)(=O)=O)CCCCCC3,CHMJRJDDNOYBRJ-DLBZAZTESA-N
-01FF28B2C855CD0C_7721B9091066FC83_6029_UN,N(CC[C@H]1[C@@H](CCCC1)O)[S](C2=CC(=CC(=C2)[S](=O)(=O)Cl)C)(=O)=O,DAPJWQBMDQVRDQ-SWLSCSKDSA-N
-020F9F9E7E30BFFC_D90029ADE333E8A5_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,UJGYTZUDCZTHNZ-UHFFFAOYSA-N
-0216A47846243039_402879F839CEC6B0_6038_UN,CC1=NC(=CC(=C1)CNC(C3=CC2=C([N](C)C=C2)C=C3)=O)N,XTZBSNMGFQNJPL-UHFFFAOYSA-N
-023FC2C1685CF4E6_BC27192788BE9BD4_6026_DP,FC1=CC(=C(C=C1)Br)OC2=CC=C(C=C2)[S](=O)(=O)N4CCC(COC3CNCC3)CC4,CJLHUOAAYUQKPT-UHFFFAOYSA-N
-02C6008E443D2EF9_9024EA00F6432077_6038_UN,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C(C4=NC(=NC(=N4)N(C)C)N)=O,UXIYDFAYPXHWQX-UHFFFAOYSA-N
-02E5F5C709A1F6D9_DADE740A8567F794_6038_UN,CC(CCNC(C(C1=C(OC)C=CC=N1)C)=O)N(C)C,OOXRTGCSKUBAMP-UHFFFAOYSA-N
-036C064C28E8D34D_3A4FCABC729F77AC_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C5=CC=C(C4(O)CC4)C=C5)(=O)=O,MLGJLGCOVMMQPN-UHFFFAOYSA-N
-03FD56496E49524D_66619A0CE9B71CC2_6003_DP,N1CC(=CC1=O)OC3=CC=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C3,FJIWVARFWOVCOZ-UHFFFAOYSA-N
-041B77DE3C112656_75321AA880549CCE_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N3CCCC(CN(C)CC2=CN=CC=C2)C3)OCC4CCOC4,WWWUBTYAZFAXBJ-UHFFFAOYSA-N
-044A461E4108238D_C523E419510EDEFB_6041_UN,C1(=CC=C(S1)C2(CCC2)C#N)NC3=CC4=C(C=C3)OC=CC4=O,TVEPXSNEIIJEHZ-UHFFFAOYSA-N
-048AD8730D987310_691EF95B7CFDBAEE_6029_UN,C1CC(CCN1[S](C3=CC2=CN=C(C)[N]2C=C3)(=O)=O)C4=CSC=N4,DMQNUFUDCWOPQR-UHFFFAOYSA-N
-048CB679AC8B2007_CB2A11CC82A73D55_6026_UN,COC1=CC(=C(C=C1)[S](=O)(=O)NCC2=CC3=C(C=C2)SC=C3)OC,OSEYYCSVZRODHN-UHFFFAOYSA-N
-049CE96C2DAEA3EF_9AAA8DF3DE943636_6034_UN,NCC1=CC4=C(C=C1)CN(C2C(N(C(CC2)=O)CCC3=CC=NC(=N3)OC)=O)C4=O,OHNGSFNEGIMYOV-UHFFFAOYSA-N
-054F31E4C3DE8FE2_ACEA490BD1C579E6_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,OULLMNXLHFIUEF-UHFFFAOYSA-N
-061375E04654C83F_5049CCA03A81F0E4_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C4=C3C=CSC3=CC=N4,ZYIMZMIWRUVEHY-UHFFFAOYSA-N
-06520059CFB7DFFD_B2DDAC62DD233C7C_6029_UN,N#CC2=C1C=C[N](C1=CC=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LAPVWOSLIHYLAK-UHFFFAOYSA-N
-065D6BEA39B6DB75_0CA2C7404D3A423E_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,IHTALRAUZQRJQK-UHFFFAOYSA-N
-0676BBBD249EABD6_BA4F5D0060A18CBF_6028_UN,C2C[N]1N=CN=C1CN2[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,QBRIPEOBRYSUGV-LBPRGKRZSA-N
-06A5F1C45C1E0141_020BE927C838F300_6038_UN,COCC(NC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)C2=NN=N[NH]2,GSRYHAYGWPSCQV-UHFFFAOYSA-N
-06CBB5CA5B1BA115_552E039115019E63_6029_UN,N(=C(C1=CC=CC=C1)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,UUEWDACDRHIOAU-UHFFFAOYSA-N
-074C2BC9D9629982_F7AAD93088084E18_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(COC2CNCC2)CC3)OCC4=CC=CC=C4,BJWHOBVZUZUQRI-UHFFFAOYSA-N
-0758F47DFD676B11_ACFC3662C9BAD4C5_6029_UN,FC1=C(C=CC=C1)C2CN(CCC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,JDNOAKUDBVIOET-UHFFFAOYSA-N
-07629A943E889305_17FD8255CA1A65FF_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCN(C3=C(C=C(F)C=C3)C#N)CC4,RCPFKJOBXWLWAY-UHFFFAOYSA-N
-07A6F32C6116FD2F_C6E74FD25C0A2C8B_6028_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,QDOXQQDDIDPWOO-UHFFFAOYSA-N
-07EDF93879EC458B_C603ADEA6306B830_2267_UN,O=C3CCC(=O)N(CC#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2)C3,UIOBALHAUYNPCA-UHFFFAOYSA-N
-08A7621918BD8CDB_C2971CA0F25468D2_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C[C@@H](OC3=CC=C(F)C=C3)CC4,XLTWOGFSAXAJFB-SFHVURJKSA-N
-092CDA8E4CF75148_824B29296C27EFAE_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC#N)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,SLAXCSMPMREPIY-UHFFFAOYSA-N
-0953542C806F82E2_3A6E175F96C5BAE9_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,XYQQYCQQPOLBIG-UHFFFAOYSA-N
-0B51F99E6C3F2C01_D1816FDD291B2179_6029_UN,OC1(CCN(CC1)[S](C2=CC3=C(N=C2)[NH]N=N3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,OGAVTHZPLVMCBJ-UHFFFAOYSA-N
-0C05518162C9DBB4_D3FE5A99CA7040BB_6029_UN,CN1C(N(CC1)C)=N[S](C2=C(C=C(OCCC)C=C2)Cl)(=O)=O,BNXDTLKRVXZCQZ-UHFFFAOYSA-N
-0C210CA62565E855_8757B25735C1BE71_6029_UN,FC1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,QJGHCMXMJTXJHJ-UHFFFAOYSA-N
-0C22F512BB5165E4_E5285C6A312C5E9E_6041_UN,CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,YAYRBCZOBCJQKP-UHFFFAOYSA-N
-0C3834B55A76CF98_528C82E3304237EE_6029_UN,FC1(CN(CCC1)[S](C3=CC2=C(CC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,UFYDVGAUMKQMKR-XJDOXCRVSA-N
-0C4003FC7DD7A6E9_31D5E0BA97A7E1F7_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=CC=C(C#N)C=C3)CC4,JIAJWBUEGILVNC-UHFFFAOYSA-N
-0C768E77A9662B7F_74DE9C54974E45B1_7015_UN,C1CC(CN1[S](=O)(=O)C2=CC3=C(C=C2)N=C([NH]3)C4=CC=CC=C4)[N]5C=CC=N5,RVASOLRQNBXGRO-UHFFFAOYSA-N
-0D9BD898BDB61801_645B60B0143EB2CF_6029_UN,C1CC(CCN1[S](C2=C(C=CN=C2)C3=CC=NC=C3)(=O)=O)C4=CSC=C4,ZICYSZIBSARVEE-UHFFFAOYSA-N
-0DA44F1C25903ECE_DAEE213A92F39735_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC4CCCN(CC3CC3)C4,PVMSTOUTCOEZBX-UHFFFAOYSA-N
-0DB050F718E1D597_D2382FA84E1B01B1_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,GDMMPKMURNUAHZ-UHFFFAOYSA-N
-0DF2C7C58BE03596_1A8890258F63C09D_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(C(C)C)C=C2)(=O)=O)C3=CC=CC=C3,SKAHQQUJOIKNID-UHFFFAOYSA-N
-0E10FF8D6AB725F1_0B2DF3177ED841E1_6041_UN,FC1=C(C=CC(=N1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,NHDQUIXFLVLUGG-UHFFFAOYSA-N
-0E443FB9B4F79A93_7128FEF48E6D0965_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=CSC=C3,HWNTUDAJKNXHHO-UHFFFAOYSA-N
-0E8A56890C09B0A4_A8AA1281977D516C_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O,KOUCQQJGBLEXQX-UHFFFAOYSA-N
-0EA563299D80EEDF_7AB5C1400E83C3DE_6029_UN,C1C=C(CN1[S](C3=CC=C(C[N]2C=CN=C2C)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZFQXMXCJXPKHNO-UHFFFAOYSA-N
-0F37F750E85A67B3_89BAAA6363790072_6003_DP,N1CC(=CC1=O)OC3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,QITGXFGEDDMPLU-UHFFFAOYSA-N
-0F54BBA554A73B8E_42901706DABA91C6_6041_UN,CC1=C(N=N[N]1C)NC(C)C2=CC3=C(C=C2)OCCC3,BMCKQNXEWVBFKY-UHFFFAOYSA-N
-0F874BAEBC4CBB98_84D27AA50A6F71FC_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CC=NC=C3,IOZYTXUFTIPQEW-UHFFFAOYSA-N
-0FEEA27FA950CA24_11DA4003FDD26C11_6035_UN,C[N]1N=CC(=C1)O[C@H]2[C@@H](CNC2)OC5=CC=C(C3=NC(=CS3)C4=C(N(CC)C(NC4=O)=O)N)C=C5,UAWDLRPVQHSJEL-QZTJIDSGSA-N
-100B79A0470BD81B_CF275D87D4DC6E58_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=C(C)[N]2C3=CC(=CC=C3)C)(=O)=O,AUJGKCUQERLJIO-UHFFFAOYSA-N
-1017F03F101BB2C3_7BE738DC38F3D7E3_6041_DP,N1CCOC(C1)C2=CC=C(C=C2)NC(C)C3=NN=N[N]3C,RROGQNKHXQVLFZ-UHFFFAOYSA-N
-1087348FB397E9FE_44C91AF490E5D2DF_6029_UN,C1CC(CN1[S](C2=CC(=CC3=C2C=CC=C3)C(F)F)(=O)=O)OC4=NC=CC=C4,KYLURHXOCYBVAR-UHFFFAOYSA-N
-11B3E18567E86D5C_86533888EF694582_6029_UN,N#CC1=CC2=C(C=C1)C=C[N]2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,MNMSDQOLHNFNFU-UHFFFAOYSA-N
-1207792C39F3BFDD_9445341E1CDB9393_6003_UN,CC3CC(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3,XRLILOYWDXDBFY-UHFFFAOYSA-N
-12A894642B1EE938_DCC5F626CFC3BA44_6039_UN,N[S](=O)(=O)N4CCC(OCC3=CC=C(C2=NC1=C(C=CC(=C1)C)S2)C=C3)CC4,LZFYQTKILRRALL-UHFFFAOYSA-N
-135F097E38DF858D_631EAA928D6ABBEF_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,UDWZGFULKBQRFD-UHFFFAOYSA-N
-13D01F05EDFA9B8D_EC633F064686C41B_6038_UN,CC(C)(CNC([C@@H]1CCO[C@H]1C2=CC=N[N]2CCCOC)=O)C3=CCCC3,OTHKORNKKSZOCJ-IEBWSBKVSA-N
-14268A19F3F285E9_38B8880A2F5523BE_6038_DP,C[C@]56CC[C@H]3[C@@H](CC=C4C[C@@H](OC(C2(ON=C(C1CNC1)C2)C)=O)CC[C@]34C)[C@@H]5CC=C6C7=CN=CC=C7,KZAZMBSQXLSAAO-KHAGCGAVSA-N
-1550E15E1AFE77AF_2818EAF7C4EFB603_7017_UN,N3([S](=O)(=O)C1=C(C=CC=C1Cl)Cl)CCN(C2=NC=C(C#N)C=C2)CC3,YWSZMIMEHQWDFZ-UHFFFAOYSA-N
-15578453DE3AE37C_8306900B8DD79004_6029_UN,N(CC1=CC=C(Cl)S1)[S](C4=C2C=CC=C3C(OC(C(=C23)C=C4)=O)=O)(=O)=O,NBHHECBVXZPRGM-UHFFFAOYSA-N
-1561DFB124B1BB2A_D740851E6655F759_6041_UN,CC1=C(C2=C(S1)NC(=NC2=N)C3=CN=C(C=C3)N[C@@H]8CCCN(C4=NC5=C([N]4CC#CC)C(N(C(N5C)=O)CC6=NC7=C(C(=N6)C)C=CC=C7)=O)C8)C,LVGNNBFABKYBIB-RUZDIDTESA-N
-15C76C8A5C2A34CE_77EE3B2926587149_6029_UN,CCOC1=CC(=CC=C1)[C@H]2[C@@H](C2)N[S](C3=C(C=CC(=C3)C(OC)=O)O)(=O)=O,BHFUOGNEUGEQTQ-JKSUJKDBSA-N
-1647D598D86A1C65_B5A61C92B8A2ABDD_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,AXLOJIOYDFFACC-UHFFFAOYSA-N
-17CEB50D6B3AEA61_F270942C5C3D89B3_6029_UN,C1CC(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CSC=C3,VHIODLAQBUAWFV-UHFFFAOYSA-N
-182605AFE8347A24_CD8106F135DE1136_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=CC=C(C=C4)C)(=O)=O,OXCUIOWQDOHRPN-UHFFFAOYSA-N
-198B979B45672F9D_989CCF4953D35A33_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC3(CCNC3)C4CC4,WBUAKTUUTIZCAC-UHFFFAOYSA-N
-19B2BAC34FFE0CE5_8F271EF81CE8E610_6038_UN,CC(CNC(C2=CC1=C(OC)C=CC(=C1[NH]2)OC)=O)N3C[C@H](C)O[C@H](C)C3,YTGVIXZAKJGMHF-AGUYFDCRSA-N
-1A8ADC37F10CF741_E293B0E1BAB0C19E_6029_UN,FC1(CCN(CC1)[S](C2=CC(=C(C)C=C2)CO)(=O)=O)CC3=CC=CC=C3,MNAIABQXQGHDOC-UHFFFAOYSA-N
-1AA49C54A75638F8_A8AB1A379373B4CF_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)F)CC4,XGXPXAFFUCUTJP-UHFFFAOYSA-N
-1AAAA6F53E61689B_E7D0B2DBF6EBFACD_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,OEYRDRNQKWOLEC-UHFFFAOYSA-N
-1ACA14F07998541A_AB588FA6628FF9A8_6029_UN,N(CC1=COC2=C1C=C(C=C2)F)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LXSOETGYMATFOY-UHFFFAOYSA-N
-1AF6AF53AA1C8973_6115A661CDCC763C_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=NC=CS3,ODGMTWRPTBWIHD-UHFFFAOYSA-N
-1BB6E2B7376D5E4C_834F2116509AE5CD_6028_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,JBMJOHTZZPFFLS-UHFFFAOYSA-N
-1D1B2BEF36F24381_9A4676FD012A2CA0_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]2CN(C[C@H]2C)C3=NC=C[N]4C=NN=C34)=O,UZNSQQXYDGKFMU-VXGBXAGGSA-N
-1D75C1E84E2D0CCD_75E62538FB27BA2E_6004_UN,C2(=C1CCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,XPHUBDPTWFWITF-UHFFFAOYSA-N
-1D75C1E84E2D0CCD_D949995829C2E038_6006_UN,C2(=C1CCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,XPHUBDPTWFWITF-UHFFFAOYSA-N
-1EAEF4A3F6919F21_361E46D1581BE022_6029_UN,N(C1=C(C2=C(C=C1)C=CC=C2)O)[S](C3=CC=CC4=C(O)C=CC=C34)(=O)=O,KBMSUKYJIONFKZ-UHFFFAOYSA-N
-1F1CC818CF82E4AD_F3912DBE7763EDB5_6038_DP,O[C@@H]1C[C@H](C1)NC(C([N]2N=NN=C2C)C3=CC=CC=C3)=O,VVHLOMJTFITYKJ-TWEVBFGDSA-N
-1FA73C0639196C53_FD0F4B198AF250D9_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)Br)(=O)=O)C=CC=C4,LWUWVAIQOYQZGP-UHFFFAOYSA-N
-1FB80C87F645A67B_968615473C257FE7_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3N(C)CSC3)=O,ZKTCLCXGRRTZLO-UHFFFAOYSA-N
-1FFB7FB8AB38DD42_C86A050F64E5511F_6027_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,YEIKYOZABZKACZ-UHFFFAOYSA-N
-20306AD08E52F8E7_08F5274D35EAFF22_6038_UN,N(CCC2=CC1=C(C=CC=C1)[NH]2)C(C3=CC(=O)N(C(=C3)C)C)=O,GXBKBPSPBHQRNR-UHFFFAOYSA-N
-203DB79A081B32F6_F0876CE05247D3A0_6028_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C3=NC(=C(S3)C)CC)(=O)=O,XCVKRZLCKZIWBE-UHFFFAOYSA-N
-206AFA50DDC727D0_D12B0E61AC378F7F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)[C@]4(C)NCCC4,HBVNTAUNWMODEZ-QGZVFWFLSA-N
-20A68E7EDE307B67_0909BD025FC00094_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=CC5=C(C=C4)C(=O)NNC5=O,XGBJWTAATXHUJP-UHFFFAOYSA-N
-2151FF8E465D1DD1_ED1C9C516881711D_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,HOPBURYHCANAHB-UHFFFAOYSA-N
-215C55BFF5F73138_AB3448F6B22CC29B_6029_UN,C1C=C(CN1[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,BAEOYWOJMKYYMQ-UHFFFAOYSA-N
-21F0C5E07C55118A_EC404AD8B651CFBF_6029_UN,C2CN(CCC1=C(C=CC=C1)C2)[S](C3=CC(=C(C(C)(C)O)C=C3)F)(=O)=O,IFWXKBMGMBDJSL-UHFFFAOYSA-N
-21FC58972903C9F8_50928CE4C4CF9718_6026_UN,CC(C)(C)C1=C(C=CC=C1)[S](=O)(=O)N3CCN(C2=CC(=NC=N2)Cl)CC3,CLRGGCVKQFCIMG-UHFFFAOYSA-N
-22430CC14EFDE76F_B0369794D9CDD68E_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F)[NH]4,QIUVAWLHVZSQPO-UHFFFAOYSA-N
-2283E8ED58CE4E02_57C5AFBB5ED9C2BB_6038_UN,CC(C)C(NC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)C2=N[NH]N=N2,HCRGIVVVRKHPHF-UHFFFAOYSA-N
-228E8E2A7BAE0087_455356D11CF4B50E_6029_UN,CC1(C(OB(O1)C2(CC2)N[S](C3=C[N](C)N=N3)(=O)=O)(C)C)C,OJLJCBKQVZHCSK-UHFFFAOYSA-N
-22A2A7D3CE51DF3F_1581E4D54738222C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC4CCCN(C3=NC=CN(C)C3=O)C4,UMDYNBYMKDEEPT-UHFFFAOYSA-N
-23648421EF5D4A12_C700E744939A1FC3_6038_UN,NC(=O)C1=CC4=C(C(=C1)NC([C@@H]2C[C@H]2C3=CC=CC(=C3)OC)=O)N=CC=C4,GQRKVQCZFUEOAF-DLBZAZTESA-N
-237B34ECA988E36F_495B0C6FB2319EBF_7017_UN,N3([S](=O)(=O)C1=C(N=CC(=C1)Br)Cl)CCN(C2=C(C=CC(=C2)C)C#N)CC3,JZWSEZLDHAKCQI-UHFFFAOYSA-N
-23B497DB03A738DE_5776D38397435A36_6029_UN,COC1=CC(=CC=C1)C2CCCN2[S](C3=C(C)C=C(S3)[N](=O)=O)(=O)=O,WUVREYSQHURPOP-UHFFFAOYSA-N
-23BCDCE12E85AA2F_9F66818F345C8CDA_6038_DP,CC[C@H](NC(=O)C1=CC=C(C=C1)C2=CC(=O)ON2)C(=O)O,KWMTWYDSOKAZCX-JTQLQIEISA-N
-23CED5F4A4953D32_222C03CDD522E2C1_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C3=NN=CC=N3,JPSXSXVUWWCBJY-UHFFFAOYSA-N
-23FC3415D096821E_771D9BDA9796D134_6029_UN,C1C=C(CN1[S](C2=CC=C(CC(F)F)C=C2)(=O)=O)C3=CN=CC=C3,UNCUYWKDOIVEIY-UHFFFAOYSA-N
-245EE7B303270DE1_26477D91A127C79C_6029_UN,OC1(CN(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,UPHBEDZYDFEFJX-UHFFFAOYSA-N
-24A2908DA29BE605_5012CA38DDF9EB35_6029_UN,OC1(CCN(CC1)[S](C2=CC(=C(C=C2)[N]3C=CC=N3)C)(=O)=O)C4=CC=CC=C4,JCJBAJYHZXDSBR-UHFFFAOYSA-N
-250E51D93CEC1081_A6BE5579180EBD3D_6038_UN,CN(C)C2=NN=C(CNC(C1=CC(=C(OCC(OC)=O)C(=C1)C)C)=O)[NH]2,KNZPZNDMKIQLIR-UHFFFAOYSA-N
-252F960E56D3CE12_DD318F86656BD6DC_6029_UN,ClC1=CC(=CC=C1)C2CN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,GFXZKGNTMXWMAK-UHFFFAOYSA-N
-2590A002C1DD6C7F_F121D42618DAF729_6039_UN,C[N]1C=C(C=N1)C4(OCC2SC(=NC2)N3CCOCC3)CC4,UYVKUOKZOUMJLQ-UHFFFAOYSA-N
-25C004E5E44FD6BA_EF3413D5F04BCE88_6028_UN,BrC1=CCN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,CYIFZKASVXSJAA-LBPRGKRZSA-N
-2616FF487FE18315_02CACFA4424F579E_6039_UN,CC(C)OC1=NN=C(C=C1)COCCCCC(N(C)C)=O,VQQXRPDTFMVNFI-UHFFFAOYSA-N
-2621C6360C52289C_A81C819DB3BDBC96_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)N[C@@H]3C(OCC3)=O,QXWSKYIPUORONM-JTQLQIEISA-N
-26231CC713931BBD_59C094A7588940CE_6038_UN,N([C@H]1[C@@H](OCC1)C2=NC=C[N]2C3=CC=CC=C3)C(=O)C4=C[NH]C(=N4)C5CCN(CC5)C(=O)OCC7C6=C(C=CC=C6)C8=C7C=CC=C8,DEKVFKYBEJWRHY-ZQWAWDFXSA-N
-263CCBE4CB1AFFBA_75F1356125128EEB_6041_UN,C2(=NC1=C(C=CC=C1)[N]3N=NN=C23)N[C@H]5[C@H](C4=CC=N[N]4C)C5,BFZSJTTYSFKHTO-MWLCHTKSSA-N
-264215BAD9633AD1_F32F1C4FBAED0394_7017_UN,N3([S](=O)(=O)C1=CC2=C(C(=C1)F)C=CC=C2)CCN(CC3)SC5=NC4=C(C=CC=C4)S5,ITAGQBAYCYOFJB-UHFFFAOYSA-N
-264FE8A9AAB53233_72DC7E66227EC039_6028_UN,C1C=C(CN1[S](C3=C2C4=C(SC2=NC=N3)CCCC4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,YHVOJWAUQQDYOM-UHFFFAOYSA-N
-26854DCD7CD2CDEB_C2845961AEA198AA_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC4CCC(N3CCC(C)CC3)CC4,ZZNIBWRHTXVFFG-UHFFFAOYSA-N
-26A6150EE9BC7B50_455069FEDA7F7A57_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=CC=CC(=N3)N)=O,VHDOOMNRDPXEHP-UHFFFAOYSA-N
-270BAB6D17F1BED4_99D974A73744C534_6038_DP,OC(=O)[C@@H](NC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CC(=O)O,OCSOKSUVNNBQGR-LBPRGKRZSA-N
-2744ED0D5583CE4A_D36A85F6FAFC9600_6029_UN,C1C=C(CN1[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=NC=CC=C4,RGAZLAMOTZUHLQ-UHFFFAOYSA-N
-27550748A293A786_5AA5BEC2CE259F27_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=NC=CC(=C3)C(N)=O)=O,HIWTVWOZWRWBNE-UHFFFAOYSA-N
-275579F63B3C6A29_17FFBC534A936A88_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3CC34CCC5=C4C=CC=C5,ZDBMUYFNHUOTLB-UHFFFAOYSA-N
-27882B9621E49927_4FA9E3DE77AA623E_6029_UN,CC1CC(CN1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)C4=CC=C(C=C4)F,ZVZRPXCFYAYMMD-UHFFFAOYSA-N
-28417AB2489C02A1_BBA0FEF1B5D91348_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,RSSJRDXMMOUZMK-UHFFFAOYSA-N
-2892356617A03399_9072A22992BDB6DB_6041_UN,FC1=CC(=C(C=C1)NC2(CC(N(C)C)=O)COC2)C3=N[NH]N=N3,ZEQRVNXEYHQMNL-UHFFFAOYSA-N
-29324FE65D107550_46AEE02DEC9F61ED_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,INCQQVSSRUMDHD-UHFFFAOYSA-N
-29A2DF853F753EB0_63D48F1085049D6B_6029_UN,FC1=C(C(=CC=C1)F)C2=CCN(CC2)[S](C3=C(CC)C=C(N=C3)O)(=O)=O,CKIVHVJPILEHNW-UHFFFAOYSA-N
-29E6D880B476C968_9304BCF682D8391B_6029_UN,C1CC(CCN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,LFAOCBQDAXEHLT-UHFFFAOYSA-N
-29FE6210C7F2E6FF_AB5E325025BBD3F6_6029_DP,COC2(CCN[S](C1=CC(=C(B(O)O)S1)I)(=O)=O)CNC2,NMUNZLOYJKZVKA-UHFFFAOYSA-N
-2A20F5BD921B26FA_88A81EFA1050BB65_7022_UN,CC1=CC(=CC(=C1)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O)[N](=O)=O,QLHLVLNQIMSUJC-UHFFFAOYSA-N
-2A3C29C3914F41C9_B55D8D8F5793AB23_6029_UN,N(CC1(CCC(CC1)(F)F)O)[S](C2=CC3=C([N]2C)C(N(CC3)COCC[Si](C)(C)C)=O)(=O)=O,WNQBRMSRWCMWQJ-UHFFFAOYSA-N
-2AF32AA7A0348030_33DFFF2642A6D75F_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,CGVAIRWRSRQGRG-UHFFFAOYSA-N
-2B0F0C69DF300E0D_4BA4609E3BACD161_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=NC=CC=N3,XWFVEWLXTXZGKE-UHFFFAOYSA-N
-2C2010806B45B2EB_D773F40DDCFFCCDA_6038_UN,N(C1=CC(=CC=C1)C2=C[NH]N=C2)C(C(NO)CC3=CC=CC=C3)=O,MIANOFYFFSBCGM-UHFFFAOYSA-N
-2CF628D8D3A0FE5E_EC2037483BD26D2B_6029_UN,C1CC2(CC1)C5=C(CN(C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O)C=CC=C5,BUJIQPOSRUZKDH-UHFFFAOYSA-N
-2DD78E6D8337D9D6_C96ED9277D2AB4BD_6029_UN,C1N(CCC(C1)C2=NOC(=N2)C3=CC=CC=C3)[S](C5=CC4=C(OCC[C@@H]4O)C=C5)(=O)=O,WHRRPLWWAALGRH-IBGZPJMESA-N
-2E805BC6597D52C3_84DC5330FFEC0E01_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(C)(C)C4CC4,LWSSWTQFPVAZLR-UHFFFAOYSA-N
-2F02CD8D411B4908_2940CFF82949E156_6026_DP,CC1=CC=C(C=C1)[S](=O)(=O)OC2=CC=C(C=C2)[S](=O)(=O)NCC3CCNCCC3,RAXQXXLHCXSTMF-UHFFFAOYSA-N
-2F43B00624684E6C_EB88D7E74CB89116_6038_UN,CC1=C(C=CC(=N1)C(=O)N)NC(=O)C4=CC2=C(C=CC=C2C3CC3)[NH]4,KEMKHKXSANZIJW-UHFFFAOYSA-N
-2FF75C48C77384D5_04512A7B80077DE1_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,YVKRLESSZPVCFA-UHFFFAOYSA-N
-300CC47A2BB0029E_3C09EE0ACC0BEB19_6029_UN,OC1(CN(C1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZTNHRTIUSKSERK-UHFFFAOYSA-N
-312F3A34111C591F_67116F5535E4956A_6026_UN,CC1=C(C2=C(S1)C=CC(=C2)Cl)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,DAJOJTGQYVFYJR-UHFFFAOYSA-N
-31A479EFCEFB84AC_4E8849B51FA5BAD3_6039_UN,CC1(C)OB(OC1(C)C)C2=CN=C(N=C2)N3CCCC(OCCN(C(OC)=O)C)C3,VCHGCRHYXGFQPE-UHFFFAOYSA-N
-31D670FAB622C383_5A0E0C90A29FFE2A_6038_UN,CC(NC([C@]3([C@@H]2CC=C1C=C(C(C)C)CC[C@@H]1[C@]2(CCC3)C)C)=O)C4=NC(=C[NH]4)C5=CC(=C(C=C5)Cl)Cl,HJMTWRHPIUEJQB-SFRQQKNJSA-N
-327C99D36C1179A9_3E61597D37DD6875_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4)Cl,FJIMJAPVXXMZGO-UHFFFAOYSA-N
-32C95CF415BF0796_90CC06D9172895CF_6038_UN,CC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CCC2=CC3=C(C=C2)OCO3,NJFAEOBEEJDOJP-UHFFFAOYSA-N
-32DCF469008BD686_602E064D398D1D46_2875_UN,CC1=C(C=CC(=C1)[N]2N=NC(=C2)CCN3CCN([S](C)(=O)=O)CC3)Br,UUOOWXPOPFQCLL-UHFFFAOYSA-N
-3303870AE7228B75_F898DF2A6CA40A99_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(CC(C)(C)C)C=C3)(=O)=O,LXZXHQHSNBVUQH-UHFFFAOYSA-N
-33042885466CD2F0_901F36B81A4F461F_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,NSKKODNHZIQDSE-UHFFFAOYSA-N
-337B02CC10604E43_5F11D7D2FBB17993_6041_UN,CC(C)C1=NC=C([N]1C)NC2=CC3=C(C=C2)SC4=NCCN34,WABHQLTUZFTNTC-UHFFFAOYSA-N
-346FF8FA6D6CF56C_7670C5BBA9DF58C0_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(OC)=O)CC(=O)O,SGBNWUNCXLXDFU-JTQLQIEISA-N
-346FF8FA6D6CF56C_C811D27AAA161214_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(OC)=O)CC(=O)O,SGBNWUNCXLXDFU-JTQLQIEISA-N
-34C0E002AE238DD3_EC6A9434EB21C694_6028_UN,C1CC(CCN1[S](C2=NN=C([N]2C3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)Cl)(=O)=O)OC5=NC=CC=C5,SJDPGYYGZBWPOL-UHFFFAOYSA-N
-354AE683E0B1DB91_237611FE1EE51BE7_6028_UN,CC1C5=C(CN1[S](C3=NN=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O)C=CC=C5,MVOWKKLFMNXZHH-UHFFFAOYSA-N
-35800297895212F3_BF3DE23EC2494650_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=C(N=CC(=C3)C)N)=O,DTSUEHHFHXVANK-UHFFFAOYSA-N
-361744CBF2315C5A_0177106B82161811_6029_UN,N#CC1(CCC1)N(CC2=CC=CC=C2)[S](C3=CC4=C(N=C3)SC=N4)(=O)=O,VIHVTBZIHDJVRC-UHFFFAOYSA-N
-36401B25BF98EAF3_B9CEED0C6247A5F0_6041_UN,CC1=C(N=N[N]1C)NC(C)C2=CC3=C(C=C2)OCCO3,RVUDRSGDBJKGEL-UHFFFAOYSA-N
-370F6F13CB6384E3_D84191C368FACB3B_6038_UN,N(C1=C(C=CC=C1)C2CC2)C(=O)CSC3=NN=C(S)S3,JWWWLBQAJUJMTL-UHFFFAOYSA-N
-371390970947145F_50ED3258BD79EC3D_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,RMVMPKFYJICAQQ-UHFFFAOYSA-N
-37627A3527D9A872_58F6967672635E90_6026_UN,CC(C)(C)C1=C(C=CC=C1)[S](=O)(=O)N3CCN(C2=CC(=NC=N2)F)CC3,BLCQYRIVYIXBSY-UHFFFAOYSA-N
-3957020BF415FB49_569B4DDD041CB13C_6038_DP,N6CC(CNC(=O)C1=CC=C(C=C1)N4C(=O)C3=C2C(=CC=CC2=CC=C3)C4=O)OC5(CCC5)C6,YODRUTUHJIGGEG-UHFFFAOYSA-N
-397D615912D41AE1_134E5CCD56F61B49_6038_UN,CC4=C(OC(C2=C(C)[N]1C(=NC=C1C=C2)C3CC3)=O)COC4=O,SHLQYEKJKYKTJN-UHFFFAOYSA-N
-39BA2DF9BBFC30E0_7A2E5E8F311597E9_6038_UN,CC(CCNC(CCC1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,VJWYEDVOFLLLAY-UHFFFAOYSA-N
-39CE6171389F2071_DF5896ED185B0964_6038_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C([C@@H]3CN(C)CC3)=O,PNSOCRYKSJLUCT-VIFPVBQESA-N
-39FDD36BDD7B9CA2_0C47A482AE67DEDA_6029_UN,N#CC1=CC2=C(C=C1)[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,ITINZURUHYSKSN-UHFFFAOYSA-N
-3A454DF4FF425172_7794359283837162_6029_UN,FC1=C(N=CC=C1)N2CCCN(CC2)[S](C4=C3N=C(C)C(C3=CC=C4)(C)C)(=O)=O,ITISNCRUZGNOLY-UHFFFAOYSA-N
-3B0AF9F504FFD79A_64DFBE6E17C13F72_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=C[NH]C(=C4)C(=O)N5CCCC5,UVQUTOCNCVMZMP-UHFFFAOYSA-N
-3BF33B710F6A41F4_791AE01B5E6393DD_6038_UN,CN(C)[CH]4C[C]3(C[CH](NC(C1=C[N](C)N=C1C2=CC=N[N]2C)=O)C3)C4,FIBGBPDJYXOKCD-UHFFFAOYSA-N
-3C209399B24D6887_B4E4BDA036C297F9_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CC(=O)NC(=N3)C4CC4)=O,WWDGUTGWVDQMKN-UHFFFAOYSA-N
-3CCFD2E1AC736C7D_DDBC4384ABF14DC4_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,RADZFHJICOZOAN-UHFFFAOYSA-N
-3D8873DE9593D78C_0D3B684AEA92A1CC_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2CCN(C)C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,OHVRGPOWFPUYSH-UHFFFAOYSA-N
-3D9FFCB7F46E9A7D_D0A871770D79A72E_6029_DP,CCOC(=O)C34CC(CN[S](C2=CN=C(N(C)C1CCNC1)C=N2)(=O)=O)(C3)OC4(C)C,YRKWQDJBUJUSDN-UHFFFAOYSA-N
-3DA6FFBF9D5009A4_B9BBC70845565D99_6029_UN,N(C1(CC2=C(C1)C=CC=C2)CO)[S](C3=C[N](N=C3)C4=NC=CS4)(=O)=O,XTSSAESHNGVUQV-UHFFFAOYSA-N
-3DB08269AC3A430F_26915554E255A29F_6035_UN,NCC1(CCC(CC1)C(F)F)OCCOC2=C(C(=N[NH]2)C(OC)=O)Br,UBMLPHYZDJAQCD-UHFFFAOYSA-N
-3DF16FF5687B7EC7_70897B3B09E1729B_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(C)CC4,DJWWVVIYGFEGSK-UHFFFAOYSA-N
-3E95ABE4F66D6E19_884F42295A7F130B_6038_DP,N(C1=C(C=CC(=C1)[S](=O)(=O)N2CCCCC2)OC3=CC=CC=C3)C(C(CC4CNC4)F)=O,WMKITQLDWHOQHD-UHFFFAOYSA-N
-3EEEF7FE1C2CB02D_12E9F79B018912A3_6029_UN,C1C(CN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NC5=C(N=C4)C=CC=C5,JQQDBTYCALHUAP-UHFFFAOYSA-N
-3F33A605A3B085D9_FE0EB02D4F3D302C_6029_UN,C1C=C(CN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=CC=CC=C4,WUKHYOMTYPIKKR-UHFFFAOYSA-N
-3F8B72165FC0CB3F_D385D9BD625C715F_6041_DP,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3=C(CO)C=CC=C3,OIZSWDGLDGAWGF-UHFFFAOYSA-N
-3FC03F0C3FCEF231_FABCC23B9F113F8C_6029_UN,C1CC(CCN1[S](C2=CSC(=C2)C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,MGBARPFBNBNQOA-UHFFFAOYSA-N
-4019FA279A959249_E2C1F5B62943B2CE_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,BDDMMMLJNCMNFO-UHFFFAOYSA-N
-4076AC55C676AE70_B5C779F4EBE2AC31_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=NN=CC=C3,ZAEMCJSALVPCTL-UHFFFAOYSA-N
-41E5B0C4A1E1D163_C1B60DDFFFF36E56_6038_UN,CCN5C(=C(C1=CSC(=N1)C2=CC=C(C=C2)OC(=O)C3=C[N](CCC#N)N=C3C4=CC=C(C=C4)[N](=O)=O)C(=O)NC5=O)N,DEMJVNNKLNRGKL-UHFFFAOYSA-N
-440BD9807052E3AD_CBEF36AAF3AAA4BC_6038_UN,CC1=NC(=CC(=C1)CNC(C3=CC2=C(C=C(C)C=C2)C=C3)=O)N,GJCDAECSYKDORM-UHFFFAOYSA-N
-441524EAD4C4FC13_6EB474BF1A6275FE_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(C)C=C2C)[S](=O)(=O)Cl)C=C3,QZTSMIIBDXOFFD-UHFFFAOYSA-N
-449EAB2CE5C4A211_0EEB79FFAD36CD09_6029_UN,C(OC1=CC=CC=C1)C2CCN(CC2)[S](C3=C(CO)C=CC(=N3)F)(=O)=O,LSWYYHXTOBIALL-UHFFFAOYSA-N
-44A908CD8AEA57BE_BBC5317D91EB2F1B_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,LPSBRIZTPQUDGM-UHFFFAOYSA-N
-4504CF65274E25AD_5237A30DE5FB383E_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,OGAXURASAPWGOT-UHFFFAOYSA-N
-4539138B6EE7A4BE_0F1E5C4FD7371816_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2O)C(C)(C)C)I)(=O)=O)C3=NN=CC=C3,FCXHCNPDLFZZNN-UHFFFAOYSA-N
-4573D5A6F92EAB59_4C0A373BCAB49371_6038_UN,N(CC1=CC2=C(C=C1)C(=N[NH]2)N)C(C3=CC(=C[N]3C)C#N)=O,OMFGXPJVQHUITK-UHFFFAOYSA-N
-45948F13CF6C1834_DCBF571F192277E1_6029_UN,OC1(CN(CCC1)[S](C2=C(CO)C(=C(C=C2)Cl)F)(=O)=O)C3=CC=CC=C3,XUQOTOZEXFWRMU-UHFFFAOYSA-N
-459FAF1B27F64306_8D690E0253A4EF1F_6038_UN,C[C@H](OC(C1(C(N(C)C)=O)CC1)=O)C2=C(N=CN=C2)C,AEEVMRMOSSIHPL-JTQLQIEISA-N
-45CDA2E00762B87E_6F513703A2F35FF6_6029_UN,CC3=CC[C@H](N[S](C1=CC(=CC=C1)C2=CSC=N2)(=O)=O)CC3,BWOYGEPCFUILQP-AWEZNQCLSA-N
-4643650B60DB170B_7E2B0061A6ED54E9_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)Cl)(=O)=O,MUQLIFLJALKOKS-UHFFFAOYSA-N
-4892FE60FF2F80D8_26A75EB154B3EBF0_6006_UN,ON=CC1=C(C(=CC=C1F)C2OCCO2)C3=CN=C(N(C)C)N=C3,LYNMRHPYPGILCK-UHFFFAOYSA-N
-499011A2F9707268_71E9F54765C18CD2_6038_UN,CC(=O)C1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,DOOFOVXWEKVATO-UHFFFAOYSA-N
-49A05DEEF4D70A5C_CD748C356850181A_2201_UN,CC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C5=C4C=CS5,IKAJORSITRSXNG-UHFFFAOYSA-N
-49F12FC2CCFAADEB_DA6DB3012788B9A8_6038_DP,CC(=O)C3=C(OC(C(C)=C1CNC1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,FSSKRMRANOFVLO-UHFFFAOYSA-N
-4A1B72E61B00DF42_2BE15C0FC19190A4_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(F)C(=CC=C3)Cl)CC4,XGBALUNLPPKHDE-UHFFFAOYSA-N
-4A4CC23BE77E4709_79C28C4A5295B7BD_6004_UN,NC3=CC(=O)C1=C(C=CC(=C1)C2=C(OC)C=CC(=C2)N)O3,VULDUEDOHNQXRO-UHFFFAOYSA-N
-4B12B9C6E7EF96D9_9700B031919791B7_6038_UN,CC1=C(C(=N[NH]1)C(=O)N)NC(=O)C2=CC3=C(C=C2)C=CCC3,XQRGDBBALMIZSK-UHFFFAOYSA-N
-4B1E29343A35A774_A5AD4E8DB117CAF4_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,VTNGQRHXJFDLST-UHFFFAOYSA-N
-4B2861940259B4EF_D01F6C92A36BE570_6038_UN,N(CC1C2=C(CC1)C=CC=N2)C(C3=NC=CC(=C3)C(N)=O)=O,PQRZNYSAWXYPRK-UHFFFAOYSA-N
-4B47C71C643888CB_7F1DE6C980AFB546_6029_UN,C1C=C(CN1[S](C3=CC=C(C(O)C2=CC=CC=C2)C=C3)(=O)=O)C4=CC=CC=C4,OWBAYDFWPDVVRK-UHFFFAOYSA-N
-4B4C5660624CB56A_04E01120AEF765A8_6041_UN,CC1(C)OB(OC1(C)C)C2=CN=C(S2)N[C@H]3C[C@@H](CCC(OC)=O)C3,BJWADIMRTUDPRI-TXEJJXNPSA-N
-4C4069D436E24FA6_CA35F9FB78DB645B_6029_UN,CC1(C4=C(CN(C1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C(=CC=C4)F)C,TVMYLOHLVUAPPZ-UHFFFAOYSA-N
-4DDF432DC058595F_7FD52B0505911B4A_6038_DP,COC1=C(C=CC(=C1)C(C[N](=O)=O)C2=C[NH]C3=C2C=CC=C3)OC(C4NC(CC4)(C)C)=O,KAJLHPLQLOKGPR-UHFFFAOYSA-N
-4E019001C7DC0CF4_755C1B67DB1636E4_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,YDVJSTCTMUBZFF-UHFFFAOYSA-N
-4F08B6A37FE8472C_1E71FD5C5D2CD475_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Cl)CC4,UNUMALMDJJXSRQ-UHFFFAOYSA-N
-4F4FADE7CA294860_D2BA7C940EA66376_6029_UN,OCC1(CCN(CC1)[S](C2=C(C=C(C)C=N2)C)(=O)=O)C3=CC=CC=C3,OGHWRCOOTLFICV-UHFFFAOYSA-N
-50B57945620C775A_C3794686B2367757_6028_DP,OC1CN(C1)[S](C3=NC(=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)C5=CC=CC=C5)(=O)=O,HRMQTGNMASUGPI-UHFFFAOYSA-N
-51A57DAE599FB6EB_677A1364776A174D_6029_UN,C1C=C(CN1[S](C3=C2C=CC=CC2=C(C)C=C3)(=O)=O)C4=NC=CC=C4,KKKPLGDCUKBZAH-UHFFFAOYSA-N
-51AD3A30F094402E_DFF3218FC167A69B_6041_UN,CC1=NC(=C(C(=N1)N[C@@H]([C@H](CC)C)C(=O)N(C)C)C)[N]2C=CC=N2,DVFLDNFCNVIPHC-FZMZJTMJSA-N
-523FD16E12D4C8BF_20699C88F298DE5B_6038_UN,C[N]1N=CN=C1C2=CC(=CC=C2)OC(C3=N[N](C)C(=C3)C4CC4)=O,MJQQZUIDNWMUDY-UHFFFAOYSA-N
-52589F6C222AA398_AFB24F3F24CFCE09_6038_UN,N(C1=C(C=CC(=C1)[S](=O)(=O)N2CCOCC2)N3CCCCCC3)C(C4=CC=CC(=C4)C5=NOC(=N5)C)=O,BOGPMUWKZDJVRM-UHFFFAOYSA-N
-5284A5B40EA4087D_F31E7407F4EBFA5F_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=NC=CC=N3,BOBRVVLRFDOLLD-UHFFFAOYSA-N
-52D07BB15F3644BA_08F6BEC817FCA92D_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=CC(=NC=C3)C(N)=O)=O,IXFXEUHTQGQKIK-UHFFFAOYSA-N
-53122AAC9E510284_270FAE42932AD7E4_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,QCHCJZJXUHIBMX-UHFFFAOYSA-N
-531759F422466E99_286DDF5E47A6498E_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=CC3=C(C=C2)CCC3)F,ZYOILLTXUOQOMY-UHFFFAOYSA-N
-537C75B4DB638588_197DA970B5B04139_6029_UN,CC1=C(Br)CN(CC1)[S](C2=C(OCCCCCC)C=CC=C2)(=O)=O,ZWVVUUSXSPENHB-UHFFFAOYSA-N
-53B35CE9F5F773B0_B4B3846368093AF0_6029_UN,C1C=C(CN1[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O)C3=CN=CC=C3,PZTOCWLQLAXLET-UHFFFAOYSA-N
-53E7BF668738FBEC_312078E6FEFC719D_6041_UN,CC1(C)OB(OC1(C)C)C2=C(ON=C2N[C@@H]4CN(C3=CC(N(C(N3C)=O)C)=O)CC4)C5CC5,VCESPIXENORIEZ-AWEZNQCLSA-N
-53F5BC86E8F221D0_B5047DDE4A8E80FF_6035_UN,C[C@]56CC[C@H]3[C@@H](CC=C4C[C@@H](OC1=C(C=NC2=C(C)C=C(C=C12)Br)C#N)CC[C@]34C)[C@@H]5CC=C6C7=CN=CC=C7,MCTWSHBGGAIARV-FOSJJHDRSA-N
-541FB03B19C9D0FE_ADF0E81B23441A45_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)C)CC4,RFKBBJOQYSAOHA-UHFFFAOYSA-N
-547AFEA781DE419F_2C906F2FA14F15DC_6031_UN,O(C(=O)C1=CSC(=N1)C2=CC3=C(C=C2)OCO3)CC4(CC(N(C)C)=O)CC4,DSGZACWFNMEUGD-UHFFFAOYSA-N
-549A5FD16C1A5173_7C1CE922E6563C2A_6038_UN,COC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=NNC(=O)CC2)OC,ZSUQBJIGSSEPMP-VIFPVBQESA-N
-54B7D5E31FAD3658_E5C9B368D37ED5F9_6029_UN,C1CC(CCN1[S](C3=C2C(=CC=NC2=C(C)C=C3)Cl)(=O)=O)C4=CC=NC=C4,VUJIAKPMPVXSDZ-UHFFFAOYSA-N
-5559B4F2625E30CD_47E4F5A3EF53BD20_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C[N](CC(N(C)C)=O)N=C3)(=O)=O,VKILGZLLJMJQBW-UHFFFAOYSA-N
-55F807B7C3418891_458D06783007430E_6029_UN,C1CC(CCN1[S](C2=C(Cl)C=C(S2)C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,VDVIZJULGBGTTN-UHFFFAOYSA-N
-5613CFC16F8F5EF0_527FA126CC170153_6009_DP,N1CCC=C(C1)C3(C2=CC(=C(O)C=C2OC(C3)=O)Cl)C4=CC=CC=C4,MBPAMHCFECSVGS-UHFFFAOYSA-N
-56276A68F3EEE845_23BB69AC0CBF54D8_6035_UN,CC(C)C1=CC=C(C=C1)C2(CNC2)OC3=C(OC)C=C(C=C3)C(C[N](=O)=O)C4=C[NH]C5=C4C=CC=C5,UCCTZRDEFMBGMT-UHFFFAOYSA-N
-565DC449C0621149_76B05547B23E0E85_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=N[N]3C4=C(C=CC(=C4)C)C)(=O)=O,MMDLWMWCEJQMML-UHFFFAOYSA-N
-56E7FCE08DC8E094_C19D72FEAA15801C_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(SC)C=CC=C3C,ZHUQKSHTSCTBKU-UHFFFAOYSA-N
-56EFCA4224447A4D_5736AEDC390ADC09_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4,PYWJYXYJCPXCGW-UHFFFAOYSA-N
-56F723797A2EC6BF_EDFF4141AF21F13A_6038_UN,CC2(CCOC(C1=CN=C(C(N(C)C)=O)C=C1)=O)N=N2,CLHZKEJTMNTCIU-UHFFFAOYSA-N
-575C1066B3215FA2_E0AC12D12D8B92E5_6038_UN,CC(NC(C(C(C)C)[N]1C=NN=N1)=O)CC2=C(C=C(C=C2)N(C)C)C,DUDCYBXQYFVSED-UHFFFAOYSA-N
-57F78960C269D76A_82391C7CF9B07BB9_6026_DP,COC1=C(C=C(C=C1)[S](=O)(=O)NCC2=CCNCC2)C3=CC=CC=C3,MAEPOMGTNWVSEE-UHFFFAOYSA-N
-57FB37F8DDC2A5AB_44015C538CCD1756_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,LTSLEDIRQWDLOR-UHFFFAOYSA-N
-58398FA17DF4050A_4936BA478354ABDD_6026_UN,CC(C)OC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N4CCCN(C3=CN=CC(=C3)F)CC4,PDSZOUYQIYNZES-UHFFFAOYSA-N
-584C0DE3034A2671_FED7FBB04CC0D64A_6029_DP,N1N(CC=CC1)[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O,CGNDGBHZQULMIU-UHFFFAOYSA-N
-587AEB55B374791F_6C5D73DD62CA330C_6029_UN,C1CC(=CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=NC=CS3,MXMBHKOPIQDOBT-UHFFFAOYSA-N
-58CF2DA12227066B_9B9DC106E1A48252_6038_UN,N(CC1=C[NH]C2=C1C=C(C=C2)F)C(=O)C3=CC4=C(C=C3)SCCC4=O,CEQOEFMRYAPGHJ-UHFFFAOYSA-N
-58E6D84C71A26CE1_1E189DD67E72F2B1_6006_UN,OOC(=O)C1=CC(=CC=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3,MNNLAULSYHSUKN-UHFFFAOYSA-N
-5946B5821A5E05BD_8A068E0518B4F92F_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,YDOATHKVDHZQBG-UHFFFAOYSA-N
-5A14117263D1C633_F73B25A5E030DE14_6038_UN,N(CCC1=CC(=C(C=C1)N2CCOCC2)F)C(C4=C(C3=CC=N[N]3C)[NH]N=N4)=O,WGKZMOLZBOXNSQ-UHFFFAOYSA-N
-5A2FAD686DFB687C_FCBA6D608B2B4428_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=C[N](C)N=C3)CC4)Br,AWANBXJLJNVLTH-UHFFFAOYSA-N
-5A80C0AB9B0EBA24_DB1DFAC561249F5E_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=CC=NC=C4,ZPUDOLOEXHZUPA-UHFFFAOYSA-N
-5B1ABA1CA576F4F1_CEADFF09CF4C34FD_6038_UN,N(CCC2=CC1=C(C=CC=C1)[NH]2)C(C3=CN(C)C=CC3=O)=O,APQVCFWLXWZDJY-UHFFFAOYSA-N
-5B86260EB7ACE7CB_28253F63ECFA21C1_6026_UN,[S](=O)(=O)(C1=CC=C(C#N)S1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,QJQDEFVTJFLPKM-UHFFFAOYSA-N
-5BD4C7F2EA5D2E33_A25C4BF3ECA72DFF_6034_UN,CCC[N]1C=NC2=C1C(N(C(N2C)=O)CC3(CCC(C)CC3)NCC(F)F)=O,YWHWZQNGOXTDET-UHFFFAOYSA-N
-5C0548DB8CC9A853_55DE4D967B41E8AC_6041_UN,C1(=NN=C2COCC[N]12)NC(C)C4=NC3=C(C=CC=C3)[N]4C,MRKUTKQWNMEVNT-UHFFFAOYSA-N
-5D3452AED415F220_1ACFDA16FF7973AA_6038_DP,N(C1=C(C=C(C=C1)C#N)C2CC2)C(C(C(CC)C)NC)=O,GSZVTLOPSWRXPZ-UHFFFAOYSA-N
-5DCCC6CE1CE650BE_D39E853E6297DE17_6038_UN,NC(=O)C4=CC1=C(C(=CC=C1)NC(=O)CCC2=CC3=C(C=C2)C=CC=N3)[NH]4,VAUQCAFAHAWGOM-UHFFFAOYSA-N
-5DF1534727B0ECCB_1EE9E8E174741697_6029_UN,CC1=CC=C(C=C1)C2(CN(CC2)[S](C3=CC=CC4=NN=C[N]34)(=O)=O)O,HUWRALHIOACACZ-UHFFFAOYSA-N
-5E23271813C4EA9B_D4F587482011FC82_6028_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=NN=C(C3=C(C=C(C)C=C3)C)O4)(=O)=O,OSEUKXQEUOHPJM-UHFFFAOYSA-N
-5EA92A58522FE52E_F57F42C6519CF64E_6038_UN,COC1=C(C=CC(=C1)CC2CC2)OC(=O)C3=CC=C(C=C3)[S](=O)(=O)NC4CC4,VTYICJLASWUJKU-UHFFFAOYSA-N
-5F9541CEC883D765_D5CE288F3BB5844F_6029_UN,C1C2(C1)OC4=C(N(C2)[S](C3=CN=C(OC(F)F)C=C3)(=O)=O)C=CC=C4,LRXWPFIGHMYZPX-UHFFFAOYSA-N
-5F9D292C3E03DF2D_EA1C9B723F4EF631_6031_DP,N1CC(C1)C2=NOC(C2)C(=O)OCC[P](OCC)(=O)OCC,JQNLPOJJCXVESD-UHFFFAOYSA-N
-606C6ADCA6406180_F087E69524DFBF86_6031_UN,COC2=C1N(C=C(C(C1=CC(=C2N4C[C@@H]3CCCN[C@@H]3C4)F)=O)C(=O)OCCC5=C([N](N=C5C)C)C)C6CC6,JUWYATOTEMJXOM-MHECFPHRSA-N
-6134D8215B16BE70_92077844B8E8FF54_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=C(C)C=CC4=C3N=N[NH]4)(=O)=O,FPMLGZIROPGWBP-UHFFFAOYSA-N
-6154D031D8ED56FB_A604088DA86AB606_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,KJFHOQARZUGFGG-UHFFFAOYSA-N
-6301C834E69E4E86_43DAA2B413C497EE_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C(=CC=C3)Cl)CC4,GNIWWOUNXDLWQK-UHFFFAOYSA-N
-630A97FEDCA4840C_BBE51405BDDD7495_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C3=CC=NC=C3,BUKKTXNGJPJQKM-UHFFFAOYSA-N
-6364AB7348A0524A_70A034D1FB31200C_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=CN=CC(=C3)C(N)=O)=O,TZJZHJVLXNIFCB-UHFFFAOYSA-N
-6389A5E474A316BB_0F6962CA805FD68B_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CN=CC=C3,SGJDXLVFZOHHLN-UHFFFAOYSA-N
-63B539BD9F93E78C_685C1BD1F540BF1F_6027_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,JUUOLOKUPGZZIU-UHFFFAOYSA-N
-6416D94DE488B916_582EDE2EA507F605_6038_UN,C[S](=O)(=O)CC1=C(C=CC(=C1)F)NC(=O)C2=CC=CN3C2=NCC3,XJJRBYRDNOYRDJ-UHFFFAOYSA-N
-64223C3E18972C8A_BBD53524DA681D05_6039_UN,O(CCN1C(=O)CNC1=O)CC(C2=CC=C(CNC(C(C)(C)C)=O)S2)=O,KDPJXEPKDBTRAE-UHFFFAOYSA-N
-644FE8C5FD993416_E7CC429420E291D5_6039_UN,O(C1(CC1)C2CCCC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,XCOICKLXKGPZAK-UHFFFAOYSA-N
-645CC053A3638812_B10AE2D6B1C43AD3_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,OMKJDSNBEXJQJX-UHFFFAOYSA-N
-6470D5F1477E2FFD_349DB834DAB2CD9B_6038_DP,O[C@@H]1C[C@H](C1)NC(C2=N[N](C(=N2)C)C3=CC=CC=C3)=O,SJDUJXNDWWOCBT-UMSPYCQHSA-N
-64928C479DC493A2_2C3E9FA6A46CEAA7_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C3(C(N(C(C)C)C)=O)CC3)=O,PIDNZQVGPKYOJI-UHFFFAOYSA-N
-64AA41D34C2E2C7D_A71885F02BAD4AD6_6029_UN,C1C(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)OC4=CC5=C(C=C4)C=CC=N5,CSJHVQQVPJNZJF-UHFFFAOYSA-N
-64ACF112C061CE39_0900FA119791D071_6038_UN,N(CCC2=CC1=C(C=CC=C1)[NH]2)C(C3=CN(C)C(C(=C3)C)=O)=O,GJMZPSIMTRRURJ-UHFFFAOYSA-N
-64C5BD1B645D4D1B_29AFC000790025F1_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,GWWSNXFABJQMRC-ABLWVSNPSA-N
-64FE9ED9FC393E3E_560720C7545DEDDF_6029_UN,CC1=NC=C(C=C1)C2(CN(CC2)[S](C3=NC4=C(C=C3)C=CC=C4)(=O)=O)O,NWQCMAWDTOEHFD-UHFFFAOYSA-N
-6528985135B88B35_5E1C19FB4B6A7A2A_6006_UN,C[S](=O)(=O)C1=NC(=CC(=N1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)C4CC4,GOFSJYSMCFKHJH-UHFFFAOYSA-N
-656732B919D74920_EF3CBE14545D824F_6039_UN,O(CC#CC1=CSC(=C1)CN2CCOCC2)CCC3(C)CC3,IUHFUBNTGNCZBU-UHFFFAOYSA-N
-65A0D78D22CC733D_351768B831C441C0_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=C(C=CC=C4)Cl,CYVXKRLPIJXDJC-UHFFFAOYSA-N
-65FD08881A42E595_C47D09814D3759E5_6029_UN,N(CC1=CC=C(C=C1)CCC(=O)O)[S](C2=CC(=CC(=C2)C(C)=O)C)(=O)=O,BDDQDYIBVQFGQW-UHFFFAOYSA-N
-66645AA77BDA9AD7_64F7E43F30404D5D_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC3CCN(CC3)C4CC4,MPJAVRYXJJKOJW-UHFFFAOYSA-N
-66FC88025261D295_3517E4D510567961_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(SC)C=C(C=C3)C,CKPUKPOSNIINJR-UHFFFAOYSA-N
-67248915AD2F2139_DC1B5C222E7924DC_6029_UN,C1CC(CN1[S](C3=C2C=NSC2=CC=C3)(=O)=O)C5=C4C=CC=CC4=NC=N5,PRGXELPBSGIMQR-UHFFFAOYSA-N
-677EF20F8DEE9C32_4B7A818A62A8740D_6026_UN,CC(C)[N]1C=C(C=N1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,JPQRMEGACWXBPH-UHFFFAOYSA-N
-67A32FA707148D6F_5C0B5228D331BCED_6006_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2C3=CC(=CC=C3)C4(O)CCC4,NQAIQZBVOPPGCT-UHFFFAOYSA-N
-67E4AA183B1E0BE1_036FB2B10F913C64_6028_UN,C1CN(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NN=C(C=C5)[N]6C=CC=N6,CGIZWNXPCPOWDY-UHFFFAOYSA-N
-68174F51C8C29F04_03D37496847F786A_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC3CCN(C3)C4CC4,GZDONDABEZEWAD-UHFFFAOYSA-N
-686481A94E35BF17_EB851A0EA76170E4_6039_UN,COC1=C(C=CC(=C1)C(C[N](=O)=O)C2=C[NH]C3=C2C=CC=C3)OCC(=O)N4CCN(CC4)CC5=CSC=C5,SJUMITMMFHXHET-UHFFFAOYSA-N
-68723C8138E0DB63_2EA7951360EC66E1_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=NC=CC=C3,XBXHEWMEOWVEDI-UHFFFAOYSA-N
-68E90B519E4182D8_1741B59CA751335C_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,IPLAGVMCKFXURQ-UHFFFAOYSA-N
-68EF1F5B0549C0B7_DFA64623AF9C5A4C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CCC(F)(CC4)C#N,JKQNVCDHOWZDAO-UHFFFAOYSA-N
-6912BEC9054BF3EC_5F4E78E52ACE6F8B_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC(=C(C4=C3C=CC=N4)C)C)(=O)=O,VOBMYBFQXRKJLQ-UHFFFAOYSA-N
-69287E6A117B5D11_A7DB418D24BF2449_6029_UN,C1CC(=CCN1[S](C2=C(C(F)F)C=CC=C2)(=O)=O)C3=NC=CS3,FXKPTDQUWFEQQU-UHFFFAOYSA-N
-69A96629B344F567_E0802AF14A064458_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,FORNNVCBWBHURW-UHFFFAOYSA-N
-69DFAAE05E24DD9E_3D356098C55CD2CD_6029_UN,OC1(CN(C1)[S](C2=C(C(C)(C)C)C=CN=C2)(=O)=O)C3=CC=CC=C3,IMMDCTHVGUJTCZ-UHFFFAOYSA-N
-69E9638B627534D0_1B66AAB3B61EE4E6_6029_UN,N#CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C[N](CCC)C=N3)(=O)=O,NXQQOTNNCLZMHV-UHFFFAOYSA-N
-6ACB48584F388E95_5B6B57D67C39A4B3_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,AJZWQYDNIZDOHD-UHFFFAOYSA-N
-6AD06C941A7AF153_4B4613496357E20A_6038_UN,CC1=NC(=C(C=C1)NC(C3=CC2=C(C=C[N]2C)C=C3)=O)N,SMSPYLYRUPWMJG-UHFFFAOYSA-N
-6AD978A0A1242313_9965F4170FA98A61_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,NMCDIOWLGZMIGC-UHFFFAOYSA-N
-6B2B25FA662ABA68_EE478CD449328FE5_6038_UN,O(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(C4=CC=CN(C)C4=O)=O,XBKASSHEUKLGJF-UHFFFAOYSA-N
-6BD998893167E806_21957007CB70CEF5_6038_UN,N(C1=CC(=C(C=C1)F)C2CC2)C(C=CC3=C(C)N=C(C=C3)N)=O,HLBNRDPCFLIBOM-UHFFFAOYSA-N
-6BE447C3C9C7903F_8B681EBB750C9496_6029_UN,CC1=C(C(=CC=C1)C)C2CCCN2[S](C3=CC(=CC=C3)C4=CSC=N4)(=O)=O,BAJQFORWPSHTJZ-UHFFFAOYSA-N
-6C221E30D5F462F9_92B3B2BFF5E8146F_6041_UN,OC(=O)CSC1=CSC(=N1)C2=CC=C(C=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,YUYJMOJRICCOHG-RDJZCZTQSA-N
-6C323B34B2900526_403C188C4C5B05CC_6029_UN,O[C@H]1CN(C[C@@H]1O)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O,QHJYLCBQAQPBFI-STQMWFEESA-N
-6C89F953626A8BEE_651B71DB0C8700AC_6029_UN,C3=CC1=C(C=C(C=C1)C2=CSC=C2)[N]3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,LOASBOZTKUDJIL-UHFFFAOYSA-N
-6CF00EC3B9A96629_DA52A639B64E0085_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=NC5=NC=C[N]45)(=O)=O,NVSCBHCQKBBUKJ-UHFFFAOYSA-N
-6CF018A936EDD588_3919AA0303A01D14_6038_UN,CC(OC(C1=CC=C(C(OC)=O)[NH]1)=O)CCCN(C)C,LIDOKRPUHDFSDT-UHFFFAOYSA-N
-6D831939D7FC81FC_8D2996AEACC17FB5_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,CLMNEVLCZQVRMJ-UHFFFAOYSA-N
-6D898136FBE75D8A_BDAB352319CB2647_6028_DP,OC1CCN(CC1)[S](C2=NC=C([N]2C3=C(C=C(C)C=C3)C)C4=CC=CC=C4)(=O)=O,LFBPCZFUOMFXOK-UHFFFAOYSA-N
-6D9B6E1DB76E0ABF_A4E1185E9EEF9D86_6026_UN,[S](=O)(=O)(C1=COC(=C1)C2OCCO2)NCC4=CC3=C(C=C(OC)C=C3)C=C4,MHCCMPFFAWDKRN-UHFFFAOYSA-N
-6DE1CE3EB092400D_E180DC67D7575E54_6029_UN,N([C@H]2[C@H]1SCC(=C(N1C2=O)C(=O)O)CO)[S](C3=C(N=C(C(C)C)N=C3)Cl)(=O)=O,DWZNCLWEFQXYBG-YMTOWFKASA-N
-6EBAFC95C2A56C30_A6D738AA78A138DE_6038_UN,CN3C(=O)C(=C(NC([C@@H]1CCO[C@H]1C2=CC=N[N]2CCCOC)=O)C34CCCC4)C#N,YYLSSMIHOHHXNO-CRAIPNDOSA-N
-6F2A475F5E33F3CA_3C512F79BECDE370_6026_UN,COC1=CC=C(S1)[S](=O)(=O)NC2=C(C=C(CN(C)C)C=C2)[N](=O)=O,AUHGQUQZPIDHQA-UHFFFAOYSA-N
-6FAF44A25B4B1AF1_F715F9FFF43E8407_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NC=CC=N3,AUTRHJRLNYWVQQ-UHFFFAOYSA-N
-6FD13C755032A452_C6CC38598D70A132_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,NIQPJVJNRLDBFK-UHFFFAOYSA-N
-7071202A85F39DCF_94C5FE4EC8A4A6D8_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C[N](N=C3C)C4=NC=CS4)(=O)=O,PBQWNUWJSXLRKZ-UHFFFAOYSA-N
-7098B62FBAD775B7_B63FAE8619AB845C_6038_UN,CN(C)C2=NN=C(CNC(C(C)OC1=C(C(=CC=C1)C)C)=O)[NH]2,NHPMEKCTAYPOMY-UHFFFAOYSA-N
-71728E8592ED20E6_E997B28707A0E7DE_6041_UN,CCOC(=O)CSC1=NC(=CC=C1)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,DRMGAIBZPOMGGV-GJZGRUSLSA-N
-729D379D0FAD378A_A32B848415B121E0_6029_UN,C2COC1=C(C=CC=C1)CN2[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,KCNIZHFGPYEADW-UHFFFAOYSA-N
-72CB4FEDDEB477BA_1D47BE93A5929474_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N2C[C@@H](C(OC)=O)[C@@H](C2)C)OCC3CCOC3,TVQQESQWLCZTIQ-ILWWEHDPSA-N
-72FCB6BA3329769D_0D7C652869C6760C_6029_UN,C1CC(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,JVAPAIIQRXOOSG-UHFFFAOYSA-N
-7342833A2944F13E_CF38AFAC58AE96DF_7017_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Cl)CC3)C,KVWZBMOEQGDVIY-UHFFFAOYSA-N
-7366059F5565D378_7909D558737353CC_7005_UN,[NH]2C1=CC=C5C(=C1N=C2C3=CC=CC(=C3)C4([S](C)(=O)=O)CC4)C=CC=N5,JTIJOHZGQVKOIX-UHFFFAOYSA-N
-73CC7D742F52269A_FDAD1BE38DB9BEED_6026_UN,CC1=CC(=CC=C1)[S](=O)(=O)NCCC3=CC=C([S](N2C(C)CCCC2)(=O)=O)C=C3,ZOTCRGBHJVYSEM-UHFFFAOYSA-N
-742C048BCABE1A37_7BD423C3311C6750_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=N[N](C=C3)C4CC4)=O,RNXFLFLFWNJYSW-UHFFFAOYSA-N
-748CBA7CDB1AA2BC_4FF98CE6FD17249F_6038_UN,CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C3=CC=C(S3)C4=C(C=CC=C4F)F,DLFOMUFIXWVKHO-UHFFFAOYSA-N
-74F1A1058D0FB7D6_4C5DCEBEFBA1D514_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2F)[N]3C=CC=C3)C)(=O)=O)C4=CSC=C4,VJDQNECLAPLAMN-UHFFFAOYSA-N
-751E1233475C58BA_2FFBF39489387619_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(N=C3)[N]4N=CC=C4)C)(=O)=O,PCUIWPNMNATHSV-UHFFFAOYSA-N
-75208C54CE8FA061_21BB8625F5556C80_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@@H]3[C@H](C2=CC=C(OC)C=C2)CC3,GYIDCZSVXZNREK-GBESFXJTSA-N
-753BD87B4E4A363E_0C3E68E1ABA738E9_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4)Cl,BXPVLJLTBKZSML-UHFFFAOYSA-N
-754F4A4932899B5E_0C8C8E9888DC4AB3_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,VSKDPECDJGRLDX-UHFFFAOYSA-N
-7762A16AD5CEDD9B_AC5F96ED071BC04C_6029_UN,C1CC(CN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=NC=CC=C3,MLDRWGYOHUUBCG-UHFFFAOYSA-N
-77848070B8B0C673_24318CA41A15CBC1_6038_UN,CC3(C)CC(=O)C1=C(C=CC(=C1)NC(CCCN2C(N(C)CC2=O)=N)=O)O3,FEZRTZVQEIWBOL-UHFFFAOYSA-N
-77C7A6FAC1D407B0_B532BCF6307CA963_6028_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O)C=CC=C4,JFUGCLLIAXQJPU-UHFFFAOYSA-N
-77E2C03E51B01761_B8BA20307F0FD4D7_6038_UN,CC1=NC(=C(C=C1)NC(C3=CC=C(C2=C(OC)C=CC=C2)S3)=O)N,JWQFHZOHGWSXPC-UHFFFAOYSA-N
-7896F4EF4E57F478_4AEC5DA7AC237D8F_6034_UN,NCC1=CC2=C(C=C1)N(C=N2)CCN4C(=O)NC3=C(C=CC=C3)C4=O,WDYKPIVFXSCMAT-UHFFFAOYSA-N
-78AF7BECD8325A9E_4785A86C7FB52831_6041_UN,OC(=O)C=CC2=CC(=C1OCOC1=C2)NCC3=CC=CC(=C3)C(C)=O,SCCSHHDHYFNYCV-UHFFFAOYSA-N
-78E413A766E64EFA_F8786767ED2F531B_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,FHPRQZDDEVQMGY-UHFFFAOYSA-N
-79280CB4009ABD05_8E240FF0BB96F6DA_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,MIKOLRWZVMNJGX-UHFFFAOYSA-N
-793785A1AACAB41F_3A2B6C759ECCD20B_6029_UN,C1C=C(CN1[S](C3=CC=C(CC(O)C2=CC=C(C=C2)Cl)C=C3)(=O)=O)C4=CC=CC=C4,VAZOLAFVBJNKKE-UHFFFAOYSA-N
-79BB2611B7E046E2_16B486CD4FD870B3_6029_UN,C=C1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,CFDHVHYYZOGENI-UHFFFAOYSA-N
-79EE1924796DE61F_7318B68B4109075B_6038_UN,CN(C)C2=NN=C(CNC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)[NH]2,ICFLPUSCBJATBQ-UHFFFAOYSA-N
-7ACB8B1FA2D703FA_8D479A54460DB1E2_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C[N]3C4=C(C)C=CC=C4)(=O)=O,RGYLBGCSHSHMNH-UHFFFAOYSA-N
-7D010D581639A68B_31C279B3BC71BC84_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C2SCCS2)NCCSCC3=C(C=CC=C3)F,KCGRUDFKQGWWAF-UHFFFAOYSA-N
-7D0A2505EAB92A77_D41FC634A6C42134_6038_UN,NC(=O)C4=CC1=C(C(=CC=C1)NC(=O)CC(C2CC2)C3=CC(=C(C=C3)F)F)[NH]4,XGBPZKLAPFIIBW-UHFFFAOYSA-N
-7DBBDFF8038D9D6B_A4B3FFEC0691E401_6029_UN,C1CC(CCN1[S](C2=C(C(F)F)C=CN=C2Cl)(=O)=O)C3=CC=CC=C3,SOEIPTDOEPLUMK-UHFFFAOYSA-N
-7E7512D516084776_EF0E7442EEAECA0E_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC4(C3CCCN3)CC4,QCJWMXPWWHMXRC-UHFFFAOYSA-N
-7F11EAACC80C99D7_A005B7120DDACA47_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C4=C3C=CSC3=NC=N4,WWCLVDXOKGVTFV-UHFFFAOYSA-N
-8023DF73F689FA79_522856BDF575783D_6038_UN,COC1=C(C=CC(=N1)C(=O)N)NC(=O)C4=CC2=C(C=CC=C2C3CC3)[NH]4,ILJQADPJNGEAKR-UHFFFAOYSA-N
-809F55EAD220113D_A7613512509F19A5_7017_UN,N4([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CCC(C3=CC=N[N]3C)(O)CC4,RJOMMLRLRNLNRP-UHFFFAOYSA-N
-80D72AF626F435E1_2E4646BC5C1AC5A1_6029_UN,ClC1CCN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,PZLKPXSBYNWBDZ-UHFFFAOYSA-N
-8114E2501CABDAC7_926B596DC0DA6A8D_6026_UN,CC1=CC=C(C=C1)[S](=O)(=O)OC2=CC=C(C=C2)[S](=O)(=O)NCC3CC(C3)C4CCC4,BBPSOFWKPOLZPN-UHFFFAOYSA-N
-82D8B3142C4B37CF_3F9E3AE330004EEB_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@H]3[C@H](C2=CC=C(OC)C=C2)C3,ZSWFWLRHYCGFCG-KSZLIROESA-N
-82D8B3142C4B37CF_A6F62E500F7D4867_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@H]3[C@H](C2=CC=C(OC)C=C2)C3,ZSWFWLRHYCGFCG-KSZLIROESA-N
-82E4F22339A203BA_CB7EA49F752EDC60_6006_UN,OC2=C(C=C1C(CCC1=C2)=O)C3=C(C=CC(=C3)C)C4=CC=CC=C4,HEYZEMQOFBIMOF-UHFFFAOYSA-N
-840D5CF77F4EA5FA_E425BC316EAF3CD5_2201_UN,CC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)C4,FDBZOBNMJGLLAG-UHFFFAOYSA-N
-84538F9072C18647_38F0F18CC6ABA4EE_7019_UN,CC(C)(C)SC3=NC(=O)C=C(C=C[CH]2C[C]1(C[C](F)(F)C1)C2)N3,HTAKEVWRBSVBLI-UHFFFAOYSA-N
-846181F8572BD921_7DE6E35422398979_6029_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,XMDPCFFACYWFTE-UHFFFAOYSA-N
-84EF30D79F12C9A4_EEF2DC742A2AADE8_6038_UN,N(CCC2=CC1=C(C=CC=C1)[NH]2)C(C3=CN(C(=CC3=O)C)C)=O,GMPCZFIVFBKHJJ-UHFFFAOYSA-N
-85A6A70ED230B7E0_6BD1C53F1AA74A1A_6035_UN,CC(OC1=NN=N[N]1C)CN3C(=NC2=C(C=CC=C2)C3=O)S,ZBYNSIJRDGRSBN-UHFFFAOYSA-N
-85D841DEEDF44BBF_DE65D292501740EB_6029_UN,C1CC(CCN1[S](C2=NC(=CC=C2)[N]3C=NC4=C3C=CC=C4)(=O)=O)C5=CSC=C5,LUQFNRZQKCGZRC-UHFFFAOYSA-N
-860B1E7693E8AD85_C1778B94E7F71490_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,FSLFUZKABQYEBM-UHFFFAOYSA-N
-86218EE17432DE10_42A20F54A1C803C9_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,OLQQBBULNOERGB-UHFFFAOYSA-N
-86CEF6BA2213CDB3_083282D70CD9C55E_6029_UN,CC1(C)CSCCN1[S](C2=CC(=NC=C2)CCCC)(=O)=O,INDUIECBUVBXPO-UHFFFAOYSA-N
-87A8636685497578_3AFD9B4F8CEF5FE1_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=CN=NC=C3,BJSSYYWSUGSDNT-UHFFFAOYSA-N
-87CAC29DD5FD54BC_6D4B6EDC8D3B1CAC_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C3=NC=CS3,CQTLMJLGRHLUHV-UHFFFAOYSA-N
-882CFB0FBF5BC207_263860EA6918B615_6038_UN,CCO[C@H]1C2([C@@H](C1)NC(C(=CC(C)C)C#N)=O)CCOCC2,QRRBSVPXSVALLY-HUUCEWRRSA-N
-8860E5EBA5F798B1_7185AD528282F2C4_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,QLBGNBVYFIHBAS-UHFFFAOYSA-N
-891254BA1DC0FFCB_8CDC510E03078F0F_6038_UN,CC(NC(C2=C([N](CC1=NOC(=N1)C)N=N2)C)=O)CC3=C(C=C(C=C3)N(C)C)C,TWLNIANARIZIOZ-UHFFFAOYSA-N
-89B610524C67BDE1_437D5887D0EF3D14_7019_DP,C(C(=O)NCC1=CC(=CC=C1)C(=O)NC2CC2)=CC3=CC(=NC=C3)N,MVNILIKSOLHRKE-UHFFFAOYSA-N
-89BE8F9B2CEAF6E9_1C043C83F114F1FB_6026_UN,CC1=C(C(=CC(=C1)Br)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,AMSVSHBRIOTBSW-UHFFFAOYSA-N
-8A42606E532CEFED_E36ECC07F2E0771E_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N(CC2CCNC2)CC3=CN=CC=C3)OC4CCOCC4,ACYNAJVCICIFNN-UHFFFAOYSA-N
-8B3617840E3783CF_92F1B4C9A327F181_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=NC=CS4,QKZSWOCINYAGMB-UHFFFAOYSA-N
-8B543788B57629CA_85B9EA210B4A6F73_7022_UN,C1(=C(C=C(S1)Br)I)N3N(C(C)C)C2=NC(=O)C(C#N)C4(C2=C3)CCCCC4,DBCIWCMFMDNTGW-UHFFFAOYSA-N
-8C1BCD68DB042AF1_21600D05A5C81AF2_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,XEBJSQRKNUZXJV-UHFFFAOYSA-N
-8C57842298D997A4_8CB3285C1B6056D8_6029_UN,C1C5=C(C4=C(CN1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C=CC=C4)C=CC=C5,XNDGYVNSXUIFHC-UHFFFAOYSA-N
-8C64FC0C4A2A3C48_2040ABB2FF9F708A_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N2CC(C(OC)=O)C(C2)C)OCC3CCOC3,TVQQESQWLCZTIQ-UHFFFAOYSA-N
-8C73355D77882293_FD0B59521DD19B07_6035_UN,CC4(C)[C@@H](OC3=CC=C(C1=NC(=CS1)C2=C(N(CC)C(NC2=O)=O)N)C=C3)C[C@H]4C5=CC=C(C=C5)[N](=O)=O,CPEJNKCFRZCZLD-FPOVZHCZSA-N
-8C85524EB92B111D_6061BEE513E131A0_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=CC3=C(C=C2)SCCC3)F,ODSVIKLWAJRTRG-UHFFFAOYSA-N
-8CA4B45AB5C2D7BC_E8D8FF55DBF436FD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,AJKRVIDLHCTAJG-UHFFFAOYSA-N
-8D245300D4C898A7_C6824E96F0A0CF92_6029_UN,C1CC(CCN1[S](C2=CC=N[N]2C3=NC=CC=C3)(=O)=O)C4=CSC=C4,KEPQCENGHOPODF-UHFFFAOYSA-N
-8D7A317E621AA419_E8797F2025F2509A_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC4CCN(CC3CC3)CC4,YNKWKKFNPMISSM-UHFFFAOYSA-N
-8D87C0642E11EC62_86A68EFFC86DE391_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,VKXZCCFMMUXVLS-UHFFFAOYSA-N
-8D99721A86A59A68_C19B909A365B0FDE_6038_UN,N(CC1=C(N=CC=C1)N2CCC(CC2)C(=O)N)C(C3=C(N=CC(=C3)C)N)=O,OTEGFGUOUWOOAB-UHFFFAOYSA-N
-8DAF00E73C79D262_DA555880485A231F_6029_UN,CCOC(=O)C12CC(C1)(CO)OC23CN(C3)[S](C4=C(N=C(C(OCC)=O)N=C4)Cl)(=O)=O,XYZLVXLJUNUQSC-UHFFFAOYSA-N
-8DCDBC024156B8F6_935DB211920DBEDC_6035_UN,COCC(OC1=C(CCC)C=NC2=C1C(NC(N2C)=O)=O)CN3CCSC(C)(C)C3,GUYQUGFNLUPFTR-UHFFFAOYSA-N
-8E296DA0B84F1994_1EC0C3ECC8DE2A62_6006_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2C3=CC=C(C=C3)C4(O)CCC4,KAIHRZUZXRIUQF-UHFFFAOYSA-N
-8E3B876EF072278F_45B708562038E2E1_6026_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,BDVXAEVLPKEJRR-UHFFFAOYSA-N
-8E68D84A14202534_3F1C7B97A81F170D_6029_UN,BrC1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,XGRJFFKNWXAEGK-UHFFFAOYSA-N
-8E89F41EE2701B48_5BB38F0A54D22F6A_6029_UN,CC1CN(CCN1[S](C3=C2C=CSC2=CC=N3)(=O)=O)C4=NC(=CC=C4)C,LITQDESKRZLASD-UHFFFAOYSA-N
-8F9A6C82E395DB1E_44AC0FF58022ECF7_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=CSC=C3,OZVDBTBVDPBANU-UHFFFAOYSA-N
-8F9E295824D563A0_5D7A9D58542EADB3_6038_UN,CC1=C(C=CC(=C1)NC(C2(C(N(C)C)=O)CC2)=O)[N]3C=NN=N3,WWMVYXXFWOAAIB-UHFFFAOYSA-N
-90D0F4D3BF8B9E8D_38AC2DC01BF42090_6038_UN,COC1=C(C=CC(=N1)C(=O)N)NC(=O)C3=C2C=CC=CC2=NC(=C3)C4CC4,NUQGEZJLEBKSSP-UHFFFAOYSA-N
-91BB7ACF8C841EC4_E0404819C98881AA_6038_UN,CC1=NC(=CS1)C2=CC=C(C=C2)OC(C3CCN(C)C3=O)=O,JJCJCRLAAADDQE-UHFFFAOYSA-N
-92483D516D6296B7_E81D9087F83A9D55_6041_UN,NC(=O)NC1=CC(=C(C=C1)F)NC2(CC2)C3=CC4=C(C=C3)OCO4,HQFJFIPKZIDQKT-UHFFFAOYSA-N
-92639106FF1C2102_4B05043953C5FBC1_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,HAYBJLVLCQMACF-UHFFFAOYSA-N
-929B2D9D9E5965D5_481F39A0A538B216_6028_UN,C1C=C(CN1[S](C2=CC(=C(C=C2)C#N)C)(=O)=O)C3=CN=CC=C3,YNWTVLGBNFERAS-UHFFFAOYSA-N
-92CC2413622AEAC3_7B5A3FAA9F16E2A7_6026_UN,CC2=C1C(=CC=CC1=CN=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,METVPLASABYYCO-UHFFFAOYSA-N
-92D806630246FEE2_019E67499F81FD2C_6038_UN,O(C1CC1)C(C2=N[N](N=C2C)C3=C(C=C(C=C3)C)C)=O,CEDNJGBRFJMVLE-UHFFFAOYSA-N
-9310623BEBD7DD38_B0A86D706E04A5A2_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CC=C(C=C3)CC4CC4)(=O)=O)C5=CSC=N5,QJSYKTUJQQMATE-UHFFFAOYSA-N
-9314DADAD9BBB043_ADCC14DF49C8DBF5_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,PRFILQYKKKAUPK-UHFFFAOYSA-N
-9398BCABF4800C0D_B815CC4128D994F0_6029_UN,C1CN(CCN1[S](C2=CC(=C[N]3C2=NC=C3)C)(=O)=O)C4=NC(=CS4)C5=CC=CS5,KNRWDJGARBOBRE-UHFFFAOYSA-N
-939E3879913BC978_DFA24E29F73EA359_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CN(C)CCC4,MVORRJJGBQGFAR-UHFFFAOYSA-N
-93E4F8D92FC06D85_66B163182EEF75CB_6029_UN,FC1(CCN(CC1)[S](C2=C(CO)C=CS2)(=O)=O)CC3=CC=CC=C3,OXSQGLURYDMBFD-UHFFFAOYSA-N
-9437EF639F90B91E_EE310A5C17701E84_6038_UN,CC(C)C(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=N[NH]N=N2,CBKQCEBQYXNANE-UHFFFAOYSA-N
-956C5D642003CF9C_DC99AD9AEF3CB150_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,GWWSNXFABJQMRC-ZGTCLIOFSA-N
-95A3756CAD150F39_5ABBD11E0636F1C7_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@H]3[C@H](C2=C(OC)C=CC=C2)C3,GTGISEPNIHXIKU-BBWFWOEESA-N
-96540A6389B1D953_923C1AE91FE9CFAE_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C4=CC=CC=C4,DULILGBEQWTACE-UHFFFAOYSA-N
-96669B6B940D450E_DE3B9B3B8293C132_6026_UN,ClC2=C1C=C(SC1=NC=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,OAISGQXPHFDBGH-UHFFFAOYSA-N
-97C2362C9D99DA3E_844D7C7C622C944D_6029_UN,C1CN(CCN1[S](C3=C[N]2N=CN=C2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,VTZSLDIVQPVOPM-UHFFFAOYSA-N
-98B31662467DF03F_5B96D39C821ED1A4_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N(C2=CC=CC(=C2)C)C3CCNCC3)OCC4CCOC4,USGVVUGFTOWPJB-UHFFFAOYSA-N
-997664AFD15382A5_1EDD1291A555C357_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NCC3=CC(=C(C(OC)=O)O3)C,WJHXOZOUCZSUGD-UHFFFAOYSA-N
-99F04066171BA1EE_0686BA267885EAD1_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,TXFCVHGJYLHUSU-UHFFFAOYSA-N
-9A5B78D7462F4A9A_335B215A0900F478_6038_UN,CC1=C(C=CC(=N1)C(=O)N)NC(=O)C2=C(C3=C([NH]2)C=CC=C3)C4CC4,SYWFNMCAAQNIGJ-UHFFFAOYSA-N
-9AE74D110059D3D3_E2F3C9CCFBC95B14_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,VQRYZBZBZCXZDU-UHFFFAOYSA-N
-9B1F52FF72C7ADD1_6B890680029C3457_6038_UN,CC(C)C2=CN=C(COC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)O2,ZMYAUPHQPYBDMG-UHFFFAOYSA-N
-9B9BB9BAF1D21451_3FA070944775D529_6029_UN,C1CC(CCN1[S](C2=C([N](C)C3=C2C=CC=C3)C4=CC=CC=C4)(=O)=O)C5=NC=NC=C5,HPCFVPAAVBNUNB-UHFFFAOYSA-N
-9BD48204A628B27B_70CDF5397F2D5F49_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C4=CC3=CC=NC(=C3C=C4)N)=O,WYKKLEQVXORZBC-UHFFFAOYSA-N
-9BED63E7C575D234_4FF2F0380CD97BB9_6038_UN,C[C@@H](OC(C1=C(C)[N](N=C1)C2=NNC(C=C2)=O)=O)CC(=O)N(C)C,PEQHSBSLHWETGM-SECBINFHSA-N
-9C640907CA0FAFB8_2207E608EFFF1771_6038_UN,COC1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,NBPNNVHTRGNZCG-UHFFFAOYSA-N
-9CA428AFF74A7720_D70B9C7565D78C46_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(C=C2)OC3CCCC3)(=O)=O)C5=C4C=CC=CC4=CC=C5,GJGGGYDCYFTNIW-UHFFFAOYSA-N
-9CA9AA797D8BCDF0_B0E3FAF0B892415D_6038_DP,CC3(C)CC(=O)C1=C(C=C(C=C1)OC(CC2(OC)CNC2)=O)O3,GBVAUWFJVIBXGX-UHFFFAOYSA-N
-9CB53248381BAE3A_354C95D70D578F68_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,IIBPGTZFKQPPFS-UHFFFAOYSA-N
-9D1B6AF6E6D08488_4C4D5473988059E8_2267_UN,O=C(C#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2)C3CCC3,QMNZFUPIKDHZOI-UHFFFAOYSA-N
-9D283DFE08F47A87_078CAB58B69FE5DE_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O)C=CC=C4,ZFLJCUPCLUVPDN-UHFFFAOYSA-N
-9D33C2B5FAE02097_84CDBF7A99D5C6AB_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,FCYQBTXURXHCQE-UHFFFAOYSA-N
-9DA925B5F7121BF7_46561A5A4BE7D5BD_7017_UN,N3([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)CC(O)(C3)C4=CN=CC=C4,COFIBCGSZCIATH-UHFFFAOYSA-N
-9ECC9C332C12DBFC_C5BD798B85716E9F_6029_UN,FC1CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,OVUBYZXFKCWEEO-UHFFFAOYSA-N
-9ECE6D226FA778CA_C1CE917B5F66D81B_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@H]3C[C@@H](C2=CC=C(OC)C=C2)C3,YWODMIFODIMSHR-HHXXYDBFSA-N
-9F4C1ED28E953ACB_BC4588E2B5B3FE74_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C,IRBATCBQGVQWNC-UHFFFAOYSA-N
-A0F369744521DE9B_A71A2FB2055A2E6F_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N2C(C(C(OC)=O)CC2)C)OCC3CCOC3,PANSWAXYLURXGK-UHFFFAOYSA-N
-A133BC89C7E62392_9C3B0524E41FFFAC_6038_UN,N(CC1=CC=C(O1)C(=O)N)C(C3=CC2=CC=NC(=C2C=C3)N)=O,YLZNYEPVAQJBEN-UHFFFAOYSA-N
-A19797303DB06622_B482531B9C819BE5_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,WMJUGVTVYCNRIH-INIZCTEOSA-N
-A1A76255E287E334_4A82678891DB5280_6038_UN,CC(C)(CNC(C1=CC(=NC(=N1)N(C)C)C)=O)N2CCSCC2,NULJNYFGJOOWKK-UHFFFAOYSA-N
-A2C5066406BAD9B7_F4AA382BEE64317E_6029_UN,C1CN(CCN1[S](C3=C2[N](C=C(C)C=N2)N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,XLTWPAQSOMGKSL-UHFFFAOYSA-N
-A3A4BC392ADC51FD_1CFD1FE11BFB6127_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C5=C4OC6=C(C4=NC=N5)C=CC=C6,LRCHLWSCZDZLQT-UHFFFAOYSA-N
-A3B48360896524D4_256560F5516B6922_6029_UN,N(CC1=COC2=C1C(=CC=C2)Cl)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,CVNWHGDUYURJEV-UHFFFAOYSA-N
-A4D7E5710E363A60_05EF46EC0E44FFF3_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CNCC4,QSGXBMAXVQXACI-UHFFFAOYSA-N
-A5199AE1C8AFA234_09F1083C6848086E_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=NC=NC(=C3)C4CC4)=O,JBEBVVBALMMRPQ-UHFFFAOYSA-N
-A57EAF6A6B5A93F8_36B68BA5CAEF3022_6029_UN,OC2(CC1=CC(=CC=C1)F)CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,ARPOEUJXHPMSGC-UHFFFAOYSA-N
-A5A25EF60BC1E7AF_BFA63DCB8F1531A1_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,AZQLOKVOFQDQBV-UHFFFAOYSA-N
-A5FB2DDFAD8E2EA6_5EF38178AF9686A4_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,HWJCRCKNCWFZTP-UHFFFAOYSA-N
-A6D1949F556A32CF_9DE502C3D797DE67_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(CC(C)C)N=CC=C3)(=O)=O,PSIAHPLTGJPNPH-UHFFFAOYSA-N
-A6DC19162ADA8C3E_598022ADB58C7C04_6036_UN,C1(CCNC12CCCC2)N([S](C3=C(C)C=CC(=C3C)N)(=O)=O)C4CC4,VQJMHWGJGCDBPO-UHFFFAOYSA-N
-A723A15F1742529E_2293369D9399D94C_6041_UN,C2(=C1C(OC(C1=CC=C2)=O)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,RNAREEWJZNXJTP-UHFFFAOYSA-N
-A7B6D4450AC5926E_CD5D7E2E4CF8F25E_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C5=C4C(NNC4=CC=C5)=O,XNAQCRYBJGFKAE-UHFFFAOYSA-N
-A7E62D9FCEC1997C_B5E71FDBA195F34B_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=CC=NC=C3,KDVCKCFUJCVBFR-UHFFFAOYSA-N
-A831EFD7A8F4A3CE_22B7BCD7858D7C74_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3(C2=CC=C(OC)C=C2)CC3,PJOXGOKSZRZSMU-QGZVFWFLSA-N
-A8A2407BC24282B5_0B5D88367042C892_6038_DP,N(C1=CSC=C1C2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,KFRQOZNUFKIAAB-UHFFFAOYSA-N
-A8BCD56C9ED4951E_1F1BAC70DD258113_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=NC=CC(=C3)C)=O,MUHVVIIYKCRENP-UHFFFAOYSA-N
-A8D4010930843AB4_1FED545D569EF26E_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCC(O)(CC3)C4=NC=C[NH]4,LYVBGXKBNHCWAN-UHFFFAOYSA-N
-A8DF946AE3EF9979_D83CC05BE6EA291F_6003_UN,CC(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3CC3,MXOLZHHPFFLDBI-UHFFFAOYSA-N
-A9D9A325B831EE95_D18201E5BD6317C7_6026_UN,CCC1=CC=C(C=C1)[S](=O)(=O)NCCC3=CC=C([S](N2C(C)CCCC2)(=O)=O)C=C3,PHGBCUIUZFXXRV-UHFFFAOYSA-N
-AA07BCA4F1969FEE_EA5AAB8B1ECC703C_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(C)(C)N4CCNCC4,SCQBFTNSDZAYED-UHFFFAOYSA-N
-AA3CFD7C9E9533D1_2524D58298498304_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)N3C(=O)C=CC3=O)(=O)=O)C4=CSC=C4,YFGOVLXOXZNDHJ-UHFFFAOYSA-N
-AA57F19FC6B52862_12A0E41D80F54C81_6038_UN,N(CC1=CC2=C(C=C1)C=CC=N2)C(C3=CN(C(=CC3=O)C)C)=O,PCYPXZFUCIOKDV-UHFFFAOYSA-N
-AB3EBC3524AE329C_192C97B73D510022_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O)C=CC=C4,XSTKANDMNNKKHH-UHFFFAOYSA-N
-AB40F81D8077130F_F4E888B9552936C0_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=C(Cl)C=CC=C3)CC4,UAXBRSSQLWOFJM-UHFFFAOYSA-N
-AB8A58C7A85FFDCD_D829E4FB933FCDE7_6029_UN,N(CC1=CC(=CC=C1)CCC(=O)O)[S](C2=CC(=CC(=C2)C(C)=O)C)(=O)=O,FZYJBXAECVTHAZ-UHFFFAOYSA-N
-ACF1691929E001EB_5EB64418286E3F81_6041_UN,CC1=NN=C([N]1C)NC(C)C2=CC3=C(C=C2)OCCO3,WEFRCTNSIYRBQY-UHFFFAOYSA-N
-AD0F6BD280C831E2_CB8E6CDEC3012097_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CCN(CC3)C4CC4,VAKVPKQJABEXDR-UHFFFAOYSA-N
-AD67EBF57D2372A7_2D54BBB8DBEBACF8_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,USDZFKNUQPQUNZ-UHFFFAOYSA-N
-ADE88ECF1E1C553F_DB5B796358F42A35_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,SSVKKJYSPHOQJG-UHFFFAOYSA-N
-AE10086D8DB570DB_2DF9092E765B9B76_6038_UN,CC(C)CC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[NH]2,SPEHIOZHZQRCNI-UHFFFAOYSA-N
-AE2C2586AED1591C_DB9E3177ED9C8602_6029_UN,FC1=C(C=CC=C1)CN2C(SC=C2)=N[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,APUYBEXVFLCCDF-UHFFFAOYSA-N
-AEEBC7F7EBB8578F_6AA6FCCE676D7FB9_6038_UN,CC1=NC(=CC(=C1)CNC(C2=CC(=CC3=C2N=CC=C3)C)=O)N,KDIRNLPNYIHVCO-UHFFFAOYSA-N
-AFEC3E1EE78A228E_E8E471B80107CAFF_6041_UN,C3(=NC2=C(C=C1OCOC1=C2)S3)NC(C4=CC=N[N]4C)C5=CN=CC=C5,ULUXZVQNPKOXKW-UHFFFAOYSA-N
-AFF2FA57D4F50A27_4A13AE3887BF8175_6029_UN,C1CC(CCN1[S](C2=C(C=CS2)C3CC3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,LCFOIORZCDXZSP-UHFFFAOYSA-N
-B0203BDCF467336C_602264BE75E61605_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)C5=C4C=CC=CC4=CC=C5,WQIAGLHMNOVAQE-UHFFFAOYSA-N
-B101E0A65F29FB0F_943BE4183DFAB28C_6029_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2)C#N)(=O)=O)C3=CSC=C3,NTVNOKMSALRIBJ-UHFFFAOYSA-N
-B29B3B16FD427B07_2C06B8C5815C23CA_6029_UN,C1CC(CCN1[S](C2=CSN=C2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,CJCRKHSNOHJTEP-UHFFFAOYSA-N
-B2A611EF3229765A_F8B8DE71AB44E35D_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NCC3=CN=C(N2CCCN(C)CC2)C=C3,LEPFWVXSOPFJNU-UHFFFAOYSA-N
-B2A8C86659F09598_C11DCAF9B047A872_6038_UN,CC5CCN(CC(NC(=O)COC2=C1N=CC=CC1=C(C=C2)[N](=O)=O)CC3=C[NH]C4=C3C=CC=C4)CC5,DMONTRWINBQZBC-UHFFFAOYSA-N
-B2B55490620385F9_B6902A12F546D245_6038_UN,COC(=O)C1(CC=CC1)CNC(=O)C3=CC2=C(C=C(C=C2)F)[NH]3,UYCRUEBDZMVRCF-UHFFFAOYSA-N
-B399AEDEAC234342_25C8D77D5D5E1C05_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(CNC4)C,RULZETIADIEZQR-UHFFFAOYSA-N
-B3FC5F9576968A1C_A17437DA2AAE768C_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N3CC(C2CCCCCN2)C3)OCC4=CC=CC=C4,KVFFJLSWBLUIAV-UHFFFAOYSA-N
-B40C86DA399FC9F0_87DD7493F1758453_6041_UN,OC(=O)CC1=CSC(=N1)COC2=CC=C(C=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,OIXQXLQWSLODAL-YJBOKZPZSA-N
-B4A13B2B039AD926_C4B72E2AB224129E_6041_UN,COC1=C(C=C(C=N1)NC2=CC(=CC(=C2)N3CCN(C)CC3)C)[S](=O)(=O)F,SSDNLAZNJLSIHB-UHFFFAOYSA-N
-B4ADEC4C3D204B03_042092F82FF3E119_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4)Cl,CKUBXIJYUYGSOY-UHFFFAOYSA-N
-B4FFFFED227D2814_452445E0E5C6D225_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,KEVFUECSIPOAQB-UHFFFAOYSA-N
-B5C39EEA87F40884_FBAB6DB8EFA73AB4_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=CN=CC=C3,ILJBWJNYNNANLR-UHFFFAOYSA-N
-B5FEC049AC5D319F_62A2E52B0819E350_6003_UN,CO[C@H]3C[C@H](OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3,HZGNWWKPCQIBIR-JOCQHMNTSA-N
-B63A153A3FCD5A9A_843ADEF6DE51F449_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC3CCN(CC3)C4CCCC4,DFRVCAJCJOOBMW-UHFFFAOYSA-N
-B64EFA420190FF08_2339640255133F1B_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CC=NC=C3,DDGRDXMWSGHYLO-UHFFFAOYSA-N
-B65195C860203D58_6ACFDACA71F73666_6038_UN,CC1=NC(=CC(=C1)CNC(C2=CC(=CC3=C2C=NC=C3)C)=O)N,GVVUQSVOSFPVEU-UHFFFAOYSA-N
-B6B98C642166C9BF_3E030CFFE5EFE1E0_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,MCRFQCZVSBVFDV-UHFFFAOYSA-N
-B7CD96D4B6AD1EA6_75A085CD8141D572_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,CVPPNWJUUJFFSM-UHFFFAOYSA-N
-B7DB729EDAF9027B_B09AB233D224CFB2_7017_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N3CCN(C2=C(C=C(CN)C=N2)F)CC3,ZHFIIIRPZJPTPW-UHFFFAOYSA-N
-B85C35A595BA058E_1E70A3069800479A_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCC(C3=NC=C(Br)C=C3)(CC4)C#N,YNVUVKAZGQJTBO-UHFFFAOYSA-N
-B914D40525376BA4_FAE612CD4065C367_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,YFDHMQPJSHZHCI-UHFFFAOYSA-N
-B98DAC55914B53F6_A73393EB4B109439_6029_UN,COC1=CC(=C(C=C1)OC)C3CC(N[S](C2=CC(=C(O)C=C2)O)(=O)=O)C3,KQDSSAMNCNEDGH-UHFFFAOYSA-N
-B9FD1EEBAFEFC2FE_0E6439AE84757ED5_6029_UN,C1CN(CCN(C1)C2=NN=CC=C2)[S](C3=CC(=C(C(C)C)C=C3)C)(=O)=O,BIUIKZVVUGBOGR-UHFFFAOYSA-N
-BA0C8E9A7F927BD9_E0DC2B773EEC8C97_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC3=C2OCC[C@@H]3O)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,SUDBYKZUFKCOFX-FQEVSTJZSA-N
-BA4897D69707E5F2_4FACE5D312A3A561_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC(CN3CCCC3)C4CC4,WINFJHOZWGNSOO-UHFFFAOYSA-N
-BA9B0455CACCD7C1_209D65035F407A0C_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,XYZNJHHAKZWVFY-UHFFFAOYSA-N
-BB8565CA1BDD8E4D_51DECE0FD0534BE2_2201_UN,CC(C)C3CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,BPLKXYOXVMNJIU-UHFFFAOYSA-N
-BD2688CFC9C7704B_360B20073CB3E1C7_6034_UN,CC4(C)CCC1=C(C3=C(N1CCN(C)CCC2CCCCN2)C(=CC(=C3)F)F)C4,MMNIQSRLYCLYMR-UHFFFAOYSA-N
-BD83062803BF5EEE_428997B4B630D6A4_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,OOFKMSUAHJLTGS-UHFFFAOYSA-N
-BDF4225C8F242BEA_EB79BC2E7008A470_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,WGTPIJKNUYKJMB-UHFFFAOYSA-N
-BE0FFBBB8C6D67DB_1F7CAD86228EA68B_6029_UN,CC2=C1N(CCCC1=C(C=C2)C(=O)O)[S](C3=CN=CC(=C3)C4=NN=C(C)O4)(=O)=O,RWTWZRPLGKJKKG-UHFFFAOYSA-N
-BE5E3C04BCCD4322_DAAB2F7C1676F2B9_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,YTVPAUMWOQVHLL-UHFFFAOYSA-N
-BF8046A1857F3A4C_43F48CBB7BF9B36D_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CSC(=C3)[C@H](C)O)(=O)=O,XMISMKHFUNQIKK-LBPRGKRZSA-N
-BFAA2133A6C262D7_82FA5D43DBB603D4_6029_UN,ClC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,VDARCJODPWKXNZ-UHFFFAOYSA-N
-BFBB2FA2EC44E6C9_5EED10B44CD1C2A2_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C3=NN=CC=C3,CJDJVKCPKDWECS-UHFFFAOYSA-N
-BFE03AF5CA7A5AF4_EB619E35B2F0F641_6026_UN,CCC1=C(C(=CC=C1)CC)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,KREHFGPTIZSFGC-UHFFFAOYSA-N
-C0498D87BB6ABF8F_58A437C091FEB094_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC(C)C3COC4=C3C=CC=C4,HLODISCVZHZDAF-UHFFFAOYSA-N
-C065FFF3CC4186D2_5EDDC8A06A708E29_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,NRDKEOZUEXTVBZ-UHFFFAOYSA-N
-C0C66055C1EDA66D_52C49F086ADC8678_6029_UN,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,RLDFCDZEELXVRJ-UHFFFAOYSA-N
-C11D7AF9CA2B4904_BB12C5DE201BBB8D_6031_UN,COC2=C1N(C=C(C(C1=CC(=C2N4C[C@@H]3CCCN[C@@H]3C4)F)=O)C(=O)OCCC5=CN=N[N]5C)C6CC6,FOOUEWPZTJPIKZ-YCRPNKLZSA-N
-C1D0CF8AD00000C5_5F61CE05F74F953E_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C[N]3C4=CC=CC(=C4)C)(=O)=O,WBJCPTAKGRZXQE-UHFFFAOYSA-N
-C1F968EB625D61E7_1315AD710F8BCD74_6038_DP,CCC(C)OC1=C(C=C(C=C1OC)CCNC([C@H]2CSCN2)=O)OC,YGSSOHPUPGRUNL-TYZXPVIJSA-N
-C209B41E3BD5AEB6_1F50FB33F2966757_6041_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3,MYUJWVSYSQRXBQ-UHFFFAOYSA-N
-C2842D847E0DE98F_B209FAFB3EFC84AA_6029_UN,C1CN(CCN1[S](C3=C2N=C(C)C=C[N]2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,POVJRPWFAOHOPF-UHFFFAOYSA-N
-C29917D745FD7AF8_A882B19F024F78CA_7022_UN,CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NC7CCCN(C3=NC4=C([N]3CC=C(C)Cl)C(N(C(N4C)=O)CC5=NC6=C(C(=N5)C)C=CC=C6)=O)C7,MAUMANQKVKSESW-UHFFFAOYSA-N
-C2AA753CEF289584_258F9B07EEF89EEF_6029_UN,OC1(CN(CC1)[S](C3=CC2=C(C(O)CO2)C=C3)(=O)=O)C4=CN=CC=C4,FVXSMEURGJSTPB-UHFFFAOYSA-N
-C2F6FF34D3FE7855_E19E6417AF2124AE_6041_UN,C1(=CSC2=C1C=C(C=C2)C#N)NC4=CC3=C(CCCN3C(N)=O)C=C4,MQMAQTIGIWFJBA-UHFFFAOYSA-N
-C30DB2F5D4AB6350_E76CFF2FDC34A0CF_7017_UN,CCC1=CC(=C(C(=C1)CC)[S](=O)(=O)N3CCN(C2=NC=C(N)C=N2)CC3)CC,AXJXDJGIKCUNHI-UHFFFAOYSA-N
-C327FB14E8F83354_F4BBA5BF36A99DDC_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=N[N]3C4=CC(=C(C)C=C4)C)(=O)=O,VEGNGTJBBZYDLV-UHFFFAOYSA-N
-C34C00A42768D3C6_240204D5CD879282_6038_UN,CC1=NN=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,POBRJJWKUVIQMA-UHFFFAOYSA-N
-C3C6C01188D33635_12B65FDC6F7E52F4_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,JWHSBOSQAFSGCX-UHFFFAOYSA-N
-C5094582AB83C6DF_3A8546C8C1572733_6041_UN,C1(=CC2=C(C=C1)C(=O)NS2)NC(C)C3=CC4=C(C=C3)OCO4,BIQVWFQCGNJPMO-UHFFFAOYSA-N
-C580556707C46FB6_40C12B69E961D5C0_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=CN=CC=C3,ROSZLNMSJDDUQP-UHFFFAOYSA-N
-C5E16796820DCEB2_823B89188BAC809B_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC(C#N)(C3CC3)C4CC4,SDOGKJGPMJVNRM-UHFFFAOYSA-N
-C5ED89E0F31609EA_B6ABC339B45DAEAF_6006_UN,OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=C(C=CC=C3)O,MRDJBMFMIDTOSV-UHFFFAOYSA-N
-C64C994191FCCF91_7432113D7B3AA2CA_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@H]3[C@H](C2=CC=C(OC)C=C2)C3,ZSWFWLRHYCGFCG-RCCFBDPRSA-N
-C65FD963E4723C91_3CA60D94FC89AF20_6028_UN,C1CC(CCN1[S](C3=NC=C(C2=CC=C(C)C=C2)[N]3C4=CC=CC=C4)(=O)=O)C5=NN=C6CCCCC[N]56,BAXIQZQSKRVENG-UHFFFAOYSA-N
-C72B8929A85379D3_88B3194D4F7DC0BF_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(CC2=COC3=C2C=CC(=C3)OC)=O,GNKXGJTVNBWXJB-UHFFFAOYSA-N
-C79DFC3E456CC0EF_BDDC95FA29CBB3DF_6029_UN,C1C5=C(C4=C(N1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C=CC=C4)C=CC=C5,LMDKTKXLQODUJQ-UHFFFAOYSA-N
-C7C8458142C0FBFA_F02B8F7FE5363980_6029_UN,CC2=C1CCCN(C1=C(C=C2)C(=O)O)[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O,GLPYRZGYACEFRP-UHFFFAOYSA-N
-C7CFCB9AC4EDC204_40F111A31658D9FF_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=C(F)C=CC=C3)CC4,WTZKJWIASWGCSE-UHFFFAOYSA-N
-C95FD3C0B6A37D4E_EBA0569C8A63F33C_7017_UN,CCC1=C(C(=CC=C1)CC)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Br)CC3,NERSRPNUZFGZAD-UHFFFAOYSA-N
-C9C64B9AED227789_431129BF1468ECC3_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C)(=O)=O)CC3=C(C=CC=C3)Br,DJLQLDKSCABPRB-UHFFFAOYSA-N
-CA5BBD63D366FC41_DDFD9E24050AD7B7_6035_UN,CC(C)[N]2C=C(CC(C)OC1=CC=C(N(C)C)C=C1)N=N2,SMGLYEJCIGGHJE-UHFFFAOYSA-N
-CA728D02279E7275_5AB0186BA86A48B4_6038_UN,CC1=NC(=C(C=C1)NC(C3=C2C=CC=CC2=C(C)C=C3)=O)N,UETLMMWFBAQQKI-UHFFFAOYSA-N
-CA80E40665C6D642_B646CF9B812F03C6_6028_UN,C2C[N]1N=CN=C1CN2[S](C3=NC=C[N]3C4=C(C=CC(=C4)C)C)(=O)=O,SKYTVKLZXWJJPI-UHFFFAOYSA-N
-CAB71C5E4B085191_811D09CBC7D66D7C_6041_UN,COCC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=C(OCCN(C)C)C=C2,GLFDVBFORDVSTF-UHFFFAOYSA-N
-CAE1C94A9C76B767_468E4EF73427DF9E_6041_UN,C1(=CC2=C(C=C1)C(=C[NH]2)C(=O)CC#N)NC3(CCCC3)COC4=C(C=CC=N4)F,LIBCKLNEJZXWOO-UHFFFAOYSA-N
-CAF9417134E6B4AB_EAF9F7CD2A18A340_6026_DP,FC1=CC(=C(C=C1)Br)OC2=CC=C(C=C2)[S](=O)(=O)N4CC(C3CCCCCN3)C4,NSIXNRLKVGGMKA-UHFFFAOYSA-N
-CB3F7EB8F4BBA726_F67932AB3CDD817E_6026_UN,CC1=C(C=C(C=C1)C#N)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4,TXBXYBXUDXHSPX-UHFFFAOYSA-N
-CBE2ED70998F25FA_DCC73C6EF3433C2C_6041_UN,O=[N]1=CC(=NC=C1)NC2=CC=CC3=C2CN(C(C(C)C)C)C3,OAMNHLPEGQKZRR-UHFFFAOYSA-N
-CCCF1A5C5951DCF8_B760F8EDB4F4E027_6028_UN,C1CC(CCN1[S](C3=NC2=C(C(=CC=C2)Br)S3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,YIPVUCDWUJNNMG-UHFFFAOYSA-N
-CCF810E9416001C8_B76DB487984D085F_6038_UN,CN(C)C2=NN=C(CNC(COC1=CC(=C(C(C)C)C=C1)C)=O)[NH]2,VECRBGKFBKGGMT-UHFFFAOYSA-N
-CD270D6017DED758_400D25856BBC4B5A_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N3CCCC(C2CCCN2)C3)OCC4=CC=CC=C4,PGEFMLZTWSXNOM-UHFFFAOYSA-N
-CDAFA9992CE96E67_8438DBFBD1AF9569_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3)CC(C)C)(=O)=O)C=CC=C4,FKZMDGADOQJYCU-UHFFFAOYSA-N
-CDC7B836CB1D3057_D6830BD454DBC6A4_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=NC=CC=C4,UCKCMIOYJARHLZ-UHFFFAOYSA-N
-CDF16667EB4846BA_101CF4001CBBEBD5_6038_UN,CN(C)C3=NN=C(CNC(C2ON=C(C1=C(C=CC(=C1)C)C)C2)=O)[NH]3,OIBQXGZJFBOTNJ-UHFFFAOYSA-N
-CE9087C6CBC373AD_001801A91612EAF0_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC[C@@H]4CC3=C(C=CC=C3)CN4,YSHYFPHZBWXQCG-MRXNPFEDSA-N
-CEB011F21C15DD39_1AF1945C025ACD05_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,OOMNXWNVADNRBA-UHFFFAOYSA-N
-CECE8BE503EF1218_261909FD7E645A6B_6036_DP,N3CCC(=CCN([S](C1=CC=C(C)C=C1)(=O)=O)C2=C(C=CC=C2)Br)CC3,NRCFEDLFLWTBQT-UHFFFAOYSA-N
-CED50125907DF1EC_332EB2B8CD047A12_6034_UN,C1=CN(C(=N1)C3=C2N=CC=CC2=CC=C3)CC4(C)COC(=O)C4,QILDMFLGLPNOAH-UHFFFAOYSA-N
-CEF45E22F913A9F2_64FC70C0B6F1346E_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,PGFBUNSMZUMXOR-UHFFFAOYSA-N
-D012E6B4A7FE649F_0730EC8B25C45833_6031_UN,COC2=C1N(C=C(C(C1=CC(=C2N4C[C@@H]3CCCN[C@@H]3C4)F)=O)C(=O)OCC5=CN=N[N]5CC)C6CC6,JVPRXWVTPLSKAD-YCRPNKLZSA-N
-D0F50E615BBB7D14_2E59778E4D5C2719_6029_UN,CN(C1(CC1)CO)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,OKGWFFJYINMIDS-UHFFFAOYSA-N
-D15CE834DC152B8B_F74DFC0DB46876CE_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=CN=CC=C4,CIJKLNSWAZDSTC-UHFFFAOYSA-N
-D2003CA41D458EC3_B4BBE52FF495E1EF_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(C)=O)[NH]1)=O)CN(C)C,YWYWCMZEACQLSR-UHFFFAOYSA-N
-D20C26CEE355A379_544241583A548EBC_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C4=C3C=CSC3=CC=N4,KVEWHTFGXPKYIZ-UHFFFAOYSA-N
-D21B90EFA1A4AD86_0567E8E4DBA61893_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4,KTLWFWFTEQVMKJ-UHFFFAOYSA-N
-D29E957FEB6232F0_63F57D6FE108D642_6029_UN,C1CC(=CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=NC=CS3,HFINVRDGOPTZNN-UHFFFAOYSA-N
-D2C11646087EC3B6_7ECF3A0C3556317C_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)C)C=C2)F)(=O)=O)C3=NN=CC=C3,ADHLGAFIMWWKII-UHFFFAOYSA-N
-D2DD730462580D17_329C3B239A4D7061_6029_UN,N(C2=C(C=C1OCCCOC1=C2)S)[S](C3=CC(=CC4=C3C=CC=N4)Cl)(=O)=O,ITDMQYZCYQINER-UHFFFAOYSA-N
-D37CDC55091CC778_66A97BF111145F64_6038_UN,CC1=NC(=C(C=C1)NC(C3=C(C2=CC=C(C)C=C2)C=CS3)=O)N,HZVAOKZFULISDJ-UHFFFAOYSA-N
-D411FAE9A21243F9_8257B23743CF15C5_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4)Cl,XPLOQPNRAGHRII-UHFFFAOYSA-N
-D4BA07211A9B1E09_592D5DCB80C4AFF3_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O,XZHKFLWNJYRXQK-UHFFFAOYSA-N
-D4BA1FA7D5A0AB54_37F41D950F756AB6_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(C)C=CC=N3,AMXFKWDMIBMEPP-UHFFFAOYSA-N
-D4C41E21F5D54C84_7691839539304CB0_6038_UN,CN(C)CCN3CCC(CNC(=O)C1CN(C1)C2=NC=C(C=N2)F)CC3,ADVVFZAEFYNJLI-UHFFFAOYSA-N
-D50BF9CDE6493944_1514797AB57559B2_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,ULKBMAMVTYBPQN-UHFFFAOYSA-N
-D57FB805F50FB96A_497CF99A565D904D_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H](C(N(CC)C)=O)C(C)C)N(C)C,ZESULIVOIGQISU-LBPRGKRZSA-N
-D59BB2BC99182A1B_8B00F811E34D94F5_2201_UN,CC(C)CNC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C,JSQGTLKGFQMYDW-UHFFFAOYSA-N
-D5BB6F664D3B39D3_D6C9874C1F473729_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,VPXQNVXDPIUJED-UHFFFAOYSA-N
-D5C83A857132A3D4_FBEBA5345713263A_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C(NO)CC3=CC=CC=C3)=O,WFFJUMUTLLTKON-UHFFFAOYSA-N
-D5F2BDAD08C6492E_180C14BBFFD859C6_6041_UN,OC(=O)C1=NN(C(=O)CC1)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,LPCAUCCFTKWKRA-UHFFFAOYSA-N
-D5F2BDAD08C6492E_BE65DFCFCD8E70E3_6041_UN,OC(=O)C1=NN(C(=O)CC1)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,LPCAUCCFTKWKRA-UHFFFAOYSA-N
-D6384CFB7CAE276F_2ABC50A20E1E055A_6038_DP,CC(C)C(OC(C1=CN(CC)C2=C(C1=O)C=C(C(=C2)N3CCNCC3)F)=O)CCC4=CC=CC=C4,FXKGXMSGHBQRDV-UHFFFAOYSA-N
-D63BEAB5BCD276F1_CC717E2095EBAD16_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=N[N](CC)N=C3)(=O)=O,AYBFRQPQYUFNHH-UHFFFAOYSA-N
-D64B17A7C2132F98_A11A8EA44B953732_6006_UN,N[S](=O)(=O)C1=CC2=C(C=C1)N=C(C=N2)C3=CC=C(C=C3)C4(O)CCC4,MDBQVHFTBKSSQI-UHFFFAOYSA-N
-D66007157EC845DA_78AF4D2A47A13345_6031_DP,C[C@@H]1CC[C@@H](NC1)C(=O)OCCCOCCOCCCl,ADUNEOUVFGVTLS-CHWSQXEVSA-N
-D69D2312DBCFD3C8_0DFAB8009E6BDBB1_6041_UN,CC1=NN=C([N]1C)NC2=CC3=C(C=C2)SC4=NCCN34,BUWGJZUGMMOYMP-UHFFFAOYSA-N
-D70F7F30AA75D946_02AD748E17E87F62_6029_UN,C2=CC1=C(C=CC=N1)[N]2[S](C4=CC(=C(CN3CCCN(C)CC3)C=C4)F)(=O)=O,LCYBOCVZKJZYNY-UHFFFAOYSA-N
-D79876871A253EE3_6DFE4F765E2D6111_6031_DP,N1CCOC(COCC=C)(C1)C(=O)OCC(COC)C,HDHCZMQCRLZGEX-UHFFFAOYSA-N
-D7BEB8956B480971_B0405C9A6E05CB46_6036_UN,CC3=NC=C(CN([S](=O)(=O)C1=CN=CC=C1)C2CC2)[N]3C4=CC=CC=C4,VAVRPURLNWBOAS-UHFFFAOYSA-N
-D8316AB10B0908A9_0D5006C0643E2A7F_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CCC(C)(CC4)C#N,INMNHDZILOMFMN-UHFFFAOYSA-N
-D851510F7442FB25_0CC85FD72E3709D0_6038_UN,C[C@H](NC(C1=C(C(C)C)C=N[NH]1)=O)CN(C)CCCN(C)C,GQBVJWHAYXNUGE-ZDUSSCGKSA-N
-D8C8459CEBE565EF_5E363C9617F5291F_6029_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=CC(=C(C=C3)O)OCOC)(=O)=O,KXQOBDWJRSHODQ-UHFFFAOYSA-N
-D90E524A7BF54D46_4439446749816425_6026_UN,COC1=C(C=CC(=C1)[S](=O)(=O)NCC3=CC=C(C2=CC=C(OC)C=C2)C=C3)[N](=O)=O,QXCABZGPHQJNTM-UHFFFAOYSA-N
-D91D9DDA76714A3E_64444270CB814D0D_2201_UN,CC(C)C3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,BQZNPJHMTJLAEV-UHFFFAOYSA-N
-D95BC8C4FEC5DB58_C92124A60A0F7DCA_6029_DP,OC(=O)C1=CC2=C(C=C1)N(CCC2)[S](C3=CC(=C(N=C3)[N]4N=CC=C4)C)(=O)=O,DASUKLQDMGLBRR-UHFFFAOYSA-N
-D9E9937DF31262E9_5BA06B5EF6190C38_6029_UN,CC1CN(CCN1[S](C3=CC=C(OC2=NC=C(Cl)C=N2)C=C3)(=O)=O)C4=NC(=CC=C4)C,XOCSVWXPISPAIG-UHFFFAOYSA-N
-D9F7064740DCF530_ABACA4CAC2143A00_6034_UN,CC1=C(C2=C(C=C1)N(C(=O)C=C2)CC3=CC=CC(=N3)CN)Br,ZOLIWDUSPCZXQS-UHFFFAOYSA-N
-DA0AD76BE8995B05_D829C7C334E6DDAB_6039_UN,C[C@]56CC[C@H]3[C@@H](CC=C4C[C@@H](OCC(NNC([C@@H]1C[C@H]1C2=CC=C(C)C=C2)=O)=O)CC[C@]34C)[C@@H]5CC=C6C7=CN=CC=C7,RENVHKUEBGYNKH-KCFGHBDYSA-N
-DA1979ED389CA0F2_933C65D410644714_6029_UN,N(CC1=CC=C(C=C1)[S](=O)(=O)O)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,VKYVPJSDTLENII-UHFFFAOYSA-N
-DAC66962A4F14C52_95636E0A9930C716_6038_UN,C[C@H](OC(C1=C(C)[N](N=C1)C2=NNC(C=C2)=O)=O)CC(=O)N(C)C,PEQHSBSLHWETGM-VIFPVBQESA-N
-DB5B8928BD605E68_1DD68116E717BCA1_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CCC4)Br,VWWRJMRJFFAVSC-UHFFFAOYSA-N
-DC052311D5BDA398_58E87F929C349E0D_6029_UN,C1CC2(C1)C4=C(N(C2)[S](C3=CC=C(C(C)C(F)F)C=C3)(=O)=O)C=CC=C4,ICTSGUDDOZIRBL-UHFFFAOYSA-N
-DC65B4A061E5E39E_C5715E76469E29AD_6038_UN,CC1=NC(=CC(=C1)CNC(C3=CC2=C(C=CC=C2)C(N3C)=O)=O)N,UPNNTZMIVVVWDB-UHFFFAOYSA-N
-DD3ABBD5D38B7301_0922711C18DE26AB_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC=CC(=C3)[N]4C=C(C)C=N4)(=O)=O,LVAQRQDXJGERRK-UHFFFAOYSA-N
-DD890BA752A24DCD_9E3A5E11B3F66462_6038_UN,N(CC1=C(N=CC=C1)N2CCCC(C2)C(=O)N)C(C3=CC(=NC=C3)C)=O,NWCKDPWIBZMJAJ-UHFFFAOYSA-N
-DDA904E747B7C7ED_82275360D898ADE0_6029_UN,C1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C5=C4C=CSC4=CC=N5,QALPKOOCSUIZQN-UHFFFAOYSA-N
-DDBEF3C973A0A192_29B51015B74609C8_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,KYBDQOLEQKAHNM-AWEZNQCLSA-N
-DDD8B65E3D36FE4C_58C600C91A0F174C_6038_UN,CC(C)C1=CN=C(COC(CCCC(N(C)C)=O)=O)S1,FQYUFPSEBXHCPR-UHFFFAOYSA-N
-DE068D14EFACB6BD_CBA056BE81EBAF73_6029_UN,N(C[C@@H]1C[C@H]1CO)[S](C2=C([N](=O)=O)C=C(S2)[S](=O)(=O)Cl)(=O)=O,VBDHLTDZPQGZPX-WDSKDSINSA-N
-DE6AA4725AE62A7F_190698ED0A554878_6038_UN,COC1=C(C=C(C=N1)NC(=O)C4=CC2=C(C=CC=C2C3CC3)[NH]4)C(=O)N,JVRKDGNSNFYDHX-UHFFFAOYSA-N
-DE9286BF7BF19EB5_0E495542208F39AD_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C4=C3SC=CC3=NC=N4,ZTZKLYQHJDPPQD-UHFFFAOYSA-N
-DF385D1F2CCC3B6B_73FF56DE200F1CD6_6034_UN,O=[N](=O)C1=CC=CN(C1=O)C2=C(C(OCC)=O)CNC2=O,JDOATJNNIUBDHF-UHFFFAOYSA-N
-DF85FFA81FC4104E_EDAAA9DE96A47EEC_6038_UN,CC1=C(C=CC2=C1OCC2=O)OC(C4=C(C)[N]3C(=NC=C3C=C4)C5CC5)=O,NTZDBWLXBUKCNK-UHFFFAOYSA-N
-DF9C14E88ECF3497_91BCC62CB60D7859_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C4=C3C=CSC3=CC=N4,QSBFGRCIHWLZHR-UHFFFAOYSA-N
-E06240DBD147E6B9_7839047563221316_6041_UN,ON=CC1=C(C(=CC=C1F)C2OCCO2)NCCC3=CSC(=N3)N(C)C,CGFQGSBZQSNPER-UHFFFAOYSA-N
-E09BF22FF30377AF_C090901B41DFF42C_6041_DP,COC(=O)C1=C(C=CC(=N1)NC3=C(N2CCNCC2=O)C=CC=C3)F,VBRKVIZORFLFJN-UHFFFAOYSA-N
-E0F38421E36FE7CE_0A7CDB7EB400AC3B_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC3CCCN(C(C)C)C3,RACOZEDLFGSDCX-UHFFFAOYSA-N
-E16EE625F9694658_2D5481E2ADB0539E_6038_UN,CC(C)OC1=CC(=C(C=C1)NC(CCCC[N+](C)(C)C)=O)C,FDFIZQFYIRPEIV-UHFFFAOYSA-O
-E19B04EB6C1AC8E5_3AB288C8629E16DD_6038_DP,CCC1=CC(=C(C(=C1)OC)OC([C@@H]2C[C@H]2C3CNC3)=O)OC,WFSWOKGFHHXSMK-QWHCGFSZSA-N
-E1C00FD4645B4933_11803C5861F2AA96_6038_UN,COC1=C(C=C(C=C1)[S](=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=CC=C3)C4CC4,HOLFOPSEAHUBBE-UHFFFAOYSA-N
-E1CACD66A9B2F4CD_AA4670A940BE6A8C_6029_UN,C1C=C(CN1[S](C3=C(C(O)C2=CC=CC=C2)C=CC=C3)(=O)=O)C4=CC=CC=C4,VPKWMGRMGWJKKR-UHFFFAOYSA-N
-E2196D428513653E_ECC7C076C77BBB7E_6029_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=C(C=CC=C2)OC3=NN=CC=C3)(=O)=O,WNFVICVDGNRMHY-QWRGUYRKSA-N
-E21CC42E4D155EC1_6BBCE91E38CB1AC8_6038_UN,N(CCC1=C2C(=CC=C1)C=CC=N2)C(C3=CN(C(=CC3=O)C)C)=O,MUABEAHYHINQNP-UHFFFAOYSA-N
-E21D07C517065C8B_EC7BCC638C1E1AA8_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCN(C)CC4,SZEMKPVNEIFLLS-UHFFFAOYSA-N
-E2462A022C484099_31A64A24C7DE730E_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N3CCCC(C2CCCCN2)C3)OCC4=CC=CC=C4,OZWNVSMZNDIFHV-UHFFFAOYSA-N
-E269F2D8C004F638_0815FD280231F299_6034_UN,Cl[S](=O)(=O)C1=CN(C(=C1)C(=O)N2CCCC2)CC4=CC=C(C3=NN=C(C)C=C3)C=C4,LENGASIFJDNJGB-UHFFFAOYSA-N
-E2B5E9AFD91D5158_9C9B9B0151FEA688_6029_UN,C1C=C(CN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=NC=CC=C4,HZOUXULTDUHFAC-UHFFFAOYSA-N
-E39B70618B3A287C_36AD36F8545DF0F4_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,MSJVLRLHRYHSKY-UHFFFAOYSA-N
-E418037762FE2751_F15121408805EDFB_6038_UN,N(CCC1=C2C(=CC=C1)C=CC=N2)C(C(C3=CC=CC(=C3)C)=O)=O,DVGQXAURAFFJJA-UHFFFAOYSA-N
-E42FBD265D3B5DE0_4EED346CBCB80FC0_6029_UN,C1CCC3=C(N(CC1)[S](C2=CN=C(C(C(C)C)O)C=C2)(=O)=O)C=CC=C3,GCCDBGZPLKZROF-UHFFFAOYSA-N
-E478A91DEE3335AD_DD084E9478BBFCCC_6038_UN,N(C1=C(C=CC(=C1)[S](=O)(=O)N2CCOCC2)N3CCCCC3)C(C4=CC=CC(=C4)C5=NOC(=N5)C)=O,KZSRBHMCKNKJTC-UHFFFAOYSA-N
-E4E34A30C435B4CF_09E3959E5A58B315_6041_DP,O=[N](=O)C2=C1C(=CN=CC1=CC=C2)N[C@@H]3CN[C@H](C(OC)=O)C3,WDMYFAAGLSAHCN-QWRGUYRKSA-N
-E545413D38839A2B_D4A9051DDCB7F9C6_6029_UN,N([C@@H]1CCCO[C@H]1C2=CC=NC=C2)[S](C3=CC=CC(=C3)C(C)S)(=O)=O,DKWJVNBUBCWJMX-YMSDKTMASA-N
-E59EFAF8C074A2A1_130AAE162B2132B6_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@H]3C[C@@H](C2=CC=C(OC)C=C2)C3,YWODMIFODIMSHR-WDYCEAGBSA-N
-E5A6296B2FB4D8DF_8BE3824013D6D858_6029_UN,C1CC(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=CC=NC=C4,YXFMKKSNCANHGR-UHFFFAOYSA-N
-E5A69ED5ABF5C424_7A6FDEF72C05F713_6038_UN,CC2=C(OC(CC(C)(C)CC(=O)C1=CC=CC=C1)=O)C(=O)OC2,GPBZUPGWHVMANO-UHFFFAOYSA-N
-E618B0EBACE92ED0_236DEB50C5869F0C_6026_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)C,YNYFLYXHYHZLKN-UHFFFAOYSA-N
-E61F5D720BF8D1C1_542F6362502F6BBB_6026_UN,ClC1=CC=C(C2=NON=C12)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,BQOOGWLLRATXKZ-UHFFFAOYSA-N
-E6CD2986291AEDE1_2F19092FBAAA3679_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,UHVDRXMXOLPKRV-UHFFFAOYSA-N
-E6DF27D1E322E858_C5637F4675CDACBA_2201_UN,CC(C)C3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,WOWIBRIAEWHWBU-UHFFFAOYSA-N
-E74DFB60D923B0BF_A87EE9C2395215F7_6029_UN,C2C1=CON=C1CN2[S](C3=CN=CC(=C3)C(C4=CC=C(C)C=C4)O)(=O)=O,AWIQZEMFMTXCJW-UHFFFAOYSA-N
-E75899692F2CAE06_F1BD48C37BB309B6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4,FDISNCAWYCWURF-UHFFFAOYSA-N
-E7641C09092CD170_EF3EBAD216CC3C0B_7017_UN,N3([S](=O)(=O)C1=C(C=CC=C1Cl)Br)CCN(C2=NC=C(C#N)C=C2)CC3,WDZNYGRDPSUIJT-UHFFFAOYSA-N
-E7D97ABDEDA38211_E6F877171CB53C63_6038_DP,N(C1=CC2=C(C=C1)COCC2)C(C3=CC4=C(C=C3)CNCCO4)=O,QQFPLOSMHDDPGV-UHFFFAOYSA-N
-E8631CE3AD2853DA_BB93BA120E9E95C7_6038_UN,NC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=C3C(=N2)C=CC=C3)C4CC4)C(=O)N,QJJJERHLKLODIH-UHFFFAOYSA-N
-EA4C55B289B31DC0_26C1871133F4E384_6038_UN,C[C@@H](OC(C2=CC=C([N]1N=NN=C1C)C=C2)=O)CC(=O)N(C)C,BJQFWVWKFCOCKI-SNVBAGLBSA-N
-EA527D4123738443_25F889C02092DC4F_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)OC4=NC=CC=C4,XFVDFBUHLASLGT-UHFFFAOYSA-N
-EAAAB57F48DA0568_745B5E0FE82A1C82_6038_UN,C[N]1C=NN=C1SC2=C(C=CC=C2)NC([C@H]3N(C)C(CC3)=O)=O,MCXFWFQCESHYFF-NSHDSACASA-N
-EBA45F0C21776962_FA6EB54B6A5F4AEA_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,ADCXPUMFBKVABL-UHFFFAOYSA-N
-EBC3351B3490299D_7816499E27BADDD4_6034_UN,COC(=O)C1=C(C=C2C(=C1)N(C=C2)CC3=C(C)C(=CC=N3)N)N,OBOISRDHVAJOCY-UHFFFAOYSA-N
-EBFF99047E9F75E5_BE586E90BF3F575E_6038_UN,CCN5C(=C(C1=CSC(=N1)C2=CC=C(C=C2)OC(=O)C4=C(C=C3OCCCOC3=C4)[N](=O)=O)C(=O)NC5=O)N,RFPJOIDTVAKOSE-UHFFFAOYSA-N
-EC57C97593DAE7EE_A011714FF5C93D7B_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C[N]3C4=C(C=CC(=C4)C)C)(=O)=O,BMWOIQMJUYGCLC-UHFFFAOYSA-N
-ED015497BD378AF5_F8562EBF28C95B96_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,RMYDJGLMBLWCKT-UHFFFAOYSA-N
-ED847D0D33D0F334_8F5AD97AD9FDF364_6038_UN,N(CC1CCOCC1)C(C(CSC2=NC(=CC(=N2)C)C)CSC3=NC(=CC(=N3)C)C)=O,KVQUDQAFUHSZHO-UHFFFAOYSA-N
-ED8A0C79A192AE60_635CBDCC590B9F50_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2C)C(F)F)(=O)=O)C3=CC4=C(C=C3)OC=C4,AEDHAUVVOXXIPO-UHFFFAOYSA-N
-EDE8D4E8BE14E029_A92DE08B6311C10C_6038_UN,CN1CCCN(CC1)C5=C(CNC(C2=C(C)C3=C(S2)NC(=NC3=N)CC4=CC=CC=C4)=O)C(=N[N]5C)C,WJGSALJICNMQST-UHFFFAOYSA-N
-EE3A04844EE1927C_34A814D30B67EF15_6029_UN,ClC1CCN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,CYIHUMWNDJRQFF-UHFFFAOYSA-N
-EF2ADF91BA0D927B_BACE810B26222564_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N(CC2CCNC2)CC3=CN=CC=C3)OCC4CCOC4,WSKSKEKYTVJNGG-UHFFFAOYSA-N
-EF6421E0FF0C4D50_0AADC00768CC65FE_6038_UN,CC(C)(C)[N]1N=NC(=N1)CCOC(C2=C(N=C(C(N(C)C)=O)C=C2)C)=O,JELGRVOHWJJMOI-UHFFFAOYSA-N
-EF779393D5CAC048_9026D0E716E4254B_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,XDLZQAPRJQRIKY-UHFFFAOYSA-N
-EFA5C6C4229376D3_D1128C3C3AAE56B4_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,AIHOUFUCGXWRSK-UHFFFAOYSA-N
-F0ED67835B63B10E_F500EADD659816E3_6038_UN,CN(C)C1C4(C(C1)NC(C2=N[N](N=C2C)C3=C(C=C(C=C3)C)C)=O)CCC4,XTVWYEYPDRHBOA-UHFFFAOYSA-N
-F0F8FD86B727DDDB_EBB24B68A84FE7DD_6038_UN,CN(C)C2=NN=C(CNC(C(C)OC1=C(C=C(C=C1)C)C)=O)[NH]2,XRPBRKZEZRIWFF-UHFFFAOYSA-N
-F10E138CC57D3D5B_992437305E734953_6029_UN,C1C=C(CN1[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,JNDIAAVABDRCRG-UHFFFAOYSA-N
-F11F0EF6670FF4EB_26B9AA4B49D81C62_6029_UN,C1CN(CCN1[S](C2=CC3=C(C=C2F)[NH]C(=N3)C)(=O)=O)C4=CC5=C(C=C4)OC=C5,CFWQEBHTKAINSF-UHFFFAOYSA-N
-F13EFAAB98EE8CFB_CE5B56DFAB21D8BF_6034_UN,O=[N](=O)C1=C(Cl)C=CN(C1=O)C2=C(C(OCC)=O)CNC2=O,FVTKKNJUZGMQPD-UHFFFAOYSA-N
-F1BDF631DADAAF39_FC118B3193430981_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)[N]4C=NC=N4,DTKRDUUJNVZUMR-UHFFFAOYSA-N
-F1FD4EE235EC52E0_8995AF57A58E2FF9_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,WNLMURNAIVGBHS-UHFFFAOYSA-N
-F23DE22C948EC03D_562CA0195B3BCDB0_6029_UN,C(C1CCN(CC1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,CZFLASPLPYLQLW-UHFFFAOYSA-N
-F25E178B89B6EC59_40846DDDBFECC738_6029_UN,C1CC(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=CSC=C4,MVXPYPDLERUCRF-UHFFFAOYSA-N
-F2DD0263D6C9F46F_2D5712865EF3256C_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=CSC=C4,PTVGGIQXOGUXCD-UHFFFAOYSA-N
-F2EFA3205C3B4DFD_BDCBF2D90DC053F6_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N[C@@H]2CCC[C@H]2C3=CC(=CC(=C3)C)C)Br,VAZFNNCKXFZGNC-FUHWJXTLSA-N
-F2FB106860968DD2_74F7BAD142140035_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C[N]3C4=CC=CC(=C4C)C)(=O)=O,BTDDBFMNXDYBKM-UHFFFAOYSA-N
-F322F6E45A61D9EA_FDD112205F58FB7A_6029_UN,CC1=NN=C(C=C1)N2CCN(CCC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,SSMZEVNSHBIOGW-UHFFFAOYSA-N
-F33974352137E793_A8D58D64145F221A_6029_UN,C1CC2(CC1)C5=C(CN(C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O)C=CC=C5,OCLJVGKOVGHMSD-UHFFFAOYSA-N
-F34A041A0C5263D7_7C24A6E1760B3886_6035_UN,CC(N)CC(OC1=CC=C(C=C1)C2CNC2)C3=CC=CS3,WBCYTSQVBMYRPL-UHFFFAOYSA-N
-F34F8CE60F444A53_F2205CEFE4C73FDA_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,GRUODWWTYPCSQG-UHFFFAOYSA-N
-F37829553E44EA3D_6E4C562C4EE4D3CD_6029_UN,FC1(C4=C(CN(C1)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O)C=CC=C4)F,KHKPYUOOMCDVGC-UHFFFAOYSA-N
-F43D5126AD875521_DB8A26CBDD692694_6038_DP,CCOC(=O)C3=C(OC(C(C)=C1CNC1)=O)C2=C(C=CC=C2)C3=O,KQGVAUWZDTYJSW-UHFFFAOYSA-N
-F48B1CCFE83453F9_24F67420F13C6564_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=CC4=C(C=C2)OC3(CCC3)CC4)F,AQADSWIDPCMQBK-UHFFFAOYSA-N
-F49F532196780B22_CD945E9F0133183C_6034_UN,NCCC1=CC2=C(C=C1)N(C=C2)CC4=CC(N3C=C(C)C=CC3=N4)=O,OBDVDGWSKKKOQG-UHFFFAOYSA-N
-F4ED0C328862A381_6539BA56889C5CEF_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=N2)C(F)F)C)(=O)=O)C3=CC4=C(C=C3)OC=C4,BFZNKXPQHWDXMB-UHFFFAOYSA-N
-F51FB0178C75ABD2_D78AEA0EDC0825E0_6029_UN,FC1=CC(=CC=C1)C2CN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,MCMYTLRXEDHGCF-UHFFFAOYSA-N
-F56F821611C75129_2D7AF2601E0DA475_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,PWJVBQCUZKFWGV-UHFFFAOYSA-N
-F5B0AFD94FD7E5B7_5AD3223941FF3475_6038_UN,CCCSC1=CC(=C(C=C1)[N](=O)=O)NC(C[C@@H](C2=CC(=C(C=C2)C)OC)C)=O,LZOXMYDOUHGEFN-HNNXBMFYSA-N
-F5F3EAADB90DA731_12705D507623496C_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)[N]4C=NC=N4,YSMKETATSOSLSC-UHFFFAOYSA-N
-F652005AD0C5B34A_A1FE6FDFC602224A_6038_UN,N(CC1=CC2=C(C=C1)C=CC=N2)C(C3=CN(C(=CC3=O)C)C4CC4)=O,SULITHPWGIFYLR-UHFFFAOYSA-N
-F67918DAF73EC38B_84F71FB08C27B818_6028_UN,C1N(CC=C(C1)C2=NC=CC=C2)[S](C3=CC4=C(C=C3)OC(C)(C)C4)(=O)=O,ZZQKZQPGKCDRLH-UHFFFAOYSA-N
-F7B21CC4E8C296BA_51E1DB599F435798_6038_UN,CC(C)C2=CN=C(COC(C1=C[N](CC(N(C)C)=O)N=N1)=O)O2,AXUHMKXQXZUOQZ-UHFFFAOYSA-N
-F7F8927912AC2B67_2CF4DFFEF32B6FB4_6029_UN,C1C=C(CN1[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,WDGICMJOSDAAFD-UHFFFAOYSA-N
-F801822C1FE24CCB_35BF720AA7E0E13E_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=CC=CC(=C4)C)(=O)=O,DHEHWGLMZBULKA-UHFFFAOYSA-N
-F90E66A0467101DF_ABDCB1B8D3B66818_6028_UN,CC(C)C2=C1N(CCCC1=CC=C2)[S](C4=NN=C(C3=C(C=C(C)C=C3C)C)O4)(=O)=O,BWOJBOCGYDTVON-UHFFFAOYSA-N
-F9397E9BE39220B1_6A17ADFBBE6F80A1_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3[C@H](C2=CC=C(OC)C=C2)CC3,GYIDCZSVXZNREK-FHWLQOOXSA-N
-F9397E9BE39220B1_F37FB9488112862D_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3[C@H](C2=CC=C(OC)C=C2)CC3,GYIDCZSVXZNREK-FHWLQOOXSA-N
-F9C765D2476391C1_6BAFA00ABF7B5ED6_6029_UN,ClC1=C(C=CN=C1)N2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,XMHHPEUSTZCUSB-UHFFFAOYSA-N
-F9CD6DBB16DA374C_C3C414FF6B50C37E_6029_UN,C1=CC(=N[N]1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C5=C4C=CC=CC4=CC=C5,VNEYWGKZHKMDPR-UHFFFAOYSA-N
-FA093D9172928A02_8FC13DB5A78E5234_6029_UN,C1CC(CN1[S](C2=CC(=CC3=NC=C[N]23)C)(=O)=O)C5=C4C=CC=CC4=NC=N5,WHYKAFNENVFBDU-UHFFFAOYSA-N
-FAA66C3604D6990D_888C1BC44A4C9D6D_6029_UN,CC1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C4=NC(=CC=C4)C,YJMUHJHHJUZNGG-UHFFFAOYSA-N
-FB6A04B900100C33_A64BF9CBAE1CC17B_6041_UN,CC1CCC2=C(C1)SC3=C2C(N(C(=N3)S)C4=CC(=C(C=C4)C)NC[C@@H]5C[C@@H](CN5C6=CC=NC(=N6)N(C)C)F)=O,XJYLPGKBMSLMAR-WNPSOCMYSA-N
-FB79DE50E3C8B5AA_F84891A15290F79E_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O)C3=CC=CC=C3,BJDXOQKREKJAGA-UHFFFAOYSA-N
-FB7BEE0C7BE14480_F048D4A6AC9D8266_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,NARDDJQFMNJBCW-UHFFFAOYSA-N
-FB838B5C104CC22F_C6AC74529B938771_6031_UN,CC1=C(SC(=N1)C2=CC(=C(C=C2)F)C)C(=O)OCC3(CN(C)C)COCCN3,JKOALTVHVRGEJM-UHFFFAOYSA-N
-FBEAD28F83E4486B_B091A4B140AAFDDD_6029_UN,ClC2=C1CCN(CC1=CC=C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,HOAKZVVFYNWYKN-UHFFFAOYSA-N
-FBEED78A41B91678_A9ECF339BBAB1D25_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)NCC=C(C(OC)=O)C,JDIXGYAHHLYACQ-UHFFFAOYSA-N
-FC08C05E7AE9BFE6_1337A90499A516E1_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)C4=N[N]3C=NN=C3C=C4,PFPXOPPNCKXONK-UHFFFAOYSA-N
-FDEDCFD529787340_F75E1E677AD54AF2_6038_UN,CC(C)C1=CC(=C(C(=C1)C)NC(CCCC[N+](C)(C)C)=O)C,KKLCPQAWJCENIA-UHFFFAOYSA-O
-FDFC9660DF59E763_1EC7A505C5D77F0A_6038_UN,CC1=C(C=CC(=N1)C(=O)N)NC(=O)C2=C(C=C3C(=N2)C=CC=C3)C4CC4,MGKLPPNHFCJORF-UHFFFAOYSA-N
-FF59ECB645D22CAB_2BA1178981FD74EA_6038_UN,C[C@H](OC(=O)C[N]1N=NN=C1C2=CSC=C2)CC(=O)N(C)C,ZECBHQNQMUXJIE-VIFPVBQESA-N
-FF99F3730844978B_C9CB5D770598E0DD_6029_UN,OC1=NOC(=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,VTRRNHNGVQTQAQ-UHFFFAOYSA-N
-FFF41AC1CF4EFEEE_66C7AF915C4F4763_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,TWOPMKOKKQIPHI-UHFFFAOYSA-N
-rxn:1:61916:1880,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(-c5cc(S(N)(=O)=O)cnc5OCC5CCOCC5)nn4)CC[C@]3(C)C1CC2,JMEFJSUPTIRBQV-PYTIUGJJSA-N
-rxn:2:80978:157322,CCN1CCC(NCC2C(OC)C23CCOCC3)CC1(C)c1ccc2c(c1)OCO2,XXTCPNMRCYJBIN-UHFFFAOYSA-N
-rxn:3:42867:5989:87627,CCn1nc(C)cc1-c1cn(CC#Cc2ccc(F)c(C(=O)NC3CCCC34CCOCC4)c2)nn1,QSHQAKJLHFBRQR-UHFFFAOYSA-N
-rxn:3:56470:417:67590,CC1CC(Cn2cc(-c3cn(CC4CC4c4cc(F)c(C(=O)N[C@@H]5CC56CCOCC6)cc4F)nn3)cn2)C1,OYVBGEYGPKITKX-UZCGMHAKSA-N
-rxn:3:62824:31045:121511,Cn1cc(-c2cn(CC3CC(=O)N([C@@H](C(=O)NC4CC5(COCCO5)C4)C4=CCC=CC4)C3)nn2)c(F)n1,MBTAUKVLVRGBIA-QYKNTEJPSA-N
-rxn:3:64126:30354:123002,CC(C)Cn1ccc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)NC5CC6(C5)C(F)(F)C65CCC5)CC4)C3)nn2)n1,XUDVCJYNTUAQBT-QIYZYFESSA-N
-rxn:3:64276:31762:123002,CC(C)n1cncc1-c1cn(CC2CC(=O)N([C@H]3CC[C@@H](C(=O)NC4CC5(C4)C(F)(F)C54CCC4)CC3)C2)nn1,XPDBOGIOFQKRRX-FXZKDWAHSA-N
-0014BE4B391AB3C9_990B63C76C4F4345_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=CN=CC(=C3)C)CC4,QUDCSJOILWNLEW-UHFFFAOYSA-N
-01892A543D736228_5E52240C68E3D18E_6038_UN,CC1=C(N=CC=C1)C(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)C4CCC4,DBNUSAFMJSDHFA-UHFFFAOYSA-N
-020BEFEA5D60C503_21ED6BEF3D0ADA70_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,AFMALYCUVPSTIQ-UHFFFAOYSA-N
-0235FA75901361B0_5134EC8C1D824395_6038_UN,N(C1CCN(CC1)C2=NC=CC=N2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,PKUKUNINXFSFPG-UHFFFAOYSA-N
-025FBEBB3ABEBAAE_C2863BDE4AC80E01_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,OSHHECLDDLQPFG-UHFFFAOYSA-N
-03EA4299960E418B_CF327C42C0D63ECB_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,MYODIHCQHDUVIU-UHFFFAOYSA-N
-050A63CC34EC20DC_7362336CB5776B30_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCC(C3=NC=C(Br)C=N3)CC4,WNMVDTIKLSEMJB-UHFFFAOYSA-N
-063F0E4FAEF48298_1608B5444A3845B9_6038_UN,N(CC1CCN(CC1)C2=NC=CC=N2)C(C3=CN=CC(=C3)C(N)=O)=O,CCKDVASQQQCUCE-UHFFFAOYSA-N
-068289C3C9ABE062_3AE0337B37CF134A_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=C(C=C(C)C=C2)C3=NC(=N[NH]3)C4CC4,BBNSQWXZLMNATD-UHFFFAOYSA-N
-0779DA316FEF940D_4114BF635A730BF1_6031_UN,CC(C)[N]1N=NC(=C1C)C(=O)OCC2=CN=C(N(C)C)C=C2,KGYKFFBSLOTKFA-UHFFFAOYSA-N
-095AE8584BC09231_1BE2A96FC4CBF611_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4)Cl,PTKUFFGVHAVBPR-UHFFFAOYSA-N
-09B15A788C0043C9_168840C458B09E49_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CCCCC3,GKGKBCJJNCFYFV-UHFFFAOYSA-N
-09BE968E10A0DB61_3576FB344353E6D5_6038_UN,CC(C)C(NC(CC1=CC=CC(=C1)OCCN(C)C)=O)C2=N[NH]N=N2,GKQQYVIKYWNLNO-UHFFFAOYSA-N
-0C70661F380CC2F1_00C1184BE0E8DB00_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,KMQQCKNXYKXVKM-UHFFFAOYSA-N
-0C71F7766C2F02B4_600F65B049892EDC_6038_UN,N(CC1=CC=C(C=C1)[S](=O)(=O)N2CCCC2)C(C4=CC3=CC=NC(=C3C=C4)N)=O,KVNULDSEVVFQLF-UHFFFAOYSA-N
-0F0FB4E58A3E5FDA_E007D9BF69D92A48_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,JKAWURKMENPARI-UHFFFAOYSA-N
-14698809E6C920B3_39D6571E0268B940_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,OCSZSBYKGYYYRD-UHFFFAOYSA-N
-15B7A7AF0D1E3235_896D7E79F8BC2C4F_6031_UN,CNC1=C(C(=CC=N1)C(=O)OCC2=C(C)C=CN=C2)N,RKBCNGSTDFIGIS-UHFFFAOYSA-N
-1608162EB106A611_51095C66C1FEC621_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,KFRBRKLKDUQOGL-UHFFFAOYSA-N
-162E5F7D5FE3A9A3_8D00035B775E4D97_6026_DP,ClC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCC(C3CCCN3)C4,LSHOVHPCCFDWBQ-UHFFFAOYSA-N
-176D2521FF973CEA_A2A484BBFECF5486_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N[C@H]3[C@@H](C3)C4=CC5=C(C=C4)OCCO5,QFULQKWONQLPOZ-ZWKOTPCHSA-N
-1A0774C2F5F8F52F_D9D65DD661105E9D_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(C)N=CC=N3,CWSKESGFGUMBPQ-UHFFFAOYSA-N
-1A6DFE6736AC452D_76F2AF10C6AF6E84_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC=C(C=C3)C4CC4,IDRHWYOTIQJFSN-UHFFFAOYSA-N
-1C00C4D044C71EBD_88E74872382CBEE6_6039_UN,CN(C)C[C@H]4C[C@@H](OCC3=CC=C(C2=NC1=C(C=CC(=C1)C)S2)C=C3)CN4C5=NC=NC(=C5)F,KJRWXFFGXHEMLR-NHCUHLMSSA-N
-1D965656EEFC6EBC_3CF652D77F5629D6_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C=CC=C3)CC4,CPRYCEUGCVAYHV-UHFFFAOYSA-N
-1FE980441DF0C68A_29C7311D0612C7B8_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,MBTNALJVUVTFKG-UHFFFAOYSA-N
-2086DBE685E89E0E_31CA6031AAF655B5_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,ADPGHDQFQKMXSR-UHFFFAOYSA-N
-228D8B44812C6C7A_3412C4FA27291ED5_6038_UN,N(C1=CC=C(C=C1)[N]2C=NN=N2)C(C(NO)CC3=CC=CC=C3)=O,LRHKOUGVAGGXLV-UHFFFAOYSA-N
-22A933660FB8C8D5_CF502725A109DD75_7009_UN,COC1=C(C=CC=N1)[S](=O)(=O)NC(=O)C=CC2=CC=C(C=C2)C3CC3,USZJJBIGBWCDPY-UHFFFAOYSA-N
-2314D142F910E666_2048DD1CDB54EFCE_6038_UN,CC1=CC(=CC=C1)CN4CCC(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)CC4,ICOXBDJATPNZLK-UHFFFAOYSA-N
-23612B0BD3838635_FDA430C3012D73AF_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,GDMLGDLFJMDJHU-UHFFFAOYSA-N
-2628D33A2A18820A_0BDF6E15D64CCA11_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,DRSHKTMYXLSSPP-UHFFFAOYSA-N
-286673B20AABB8DE_4F1F915A31FE3E3E_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,WYWAIAYYIKAADS-UHFFFAOYSA-N
-28B2B85E4C9D4165_A64AFE54A2510EBF_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,JMKJKVIYHXVWRR-UHFFFAOYSA-N
-2B724DDB4781FE3C_218A27435608869B_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=CC=CC3=C2OC(C)(C)C3)N(C)C,KPWCSXNIAQXORP-UHFFFAOYSA-N
-2BE9CF2006531310_BBAFF23BE3166AC1_6038_UN,N(CC1CCCN(C1)C2=NC=CC=N2)C(C3=CN=CC(=C3)N[S](C)(=O)=O)=O,VDWOAMCJNQNEQS-UHFFFAOYSA-N
-2C37241546DD096A_FBD5D788D39B2ED2_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=N2)C(C(NO)CC3=CC=CC=C3)=O,XIVLWXITZPLLKL-UHFFFAOYSA-N
-2D61238EF2C832FC_4E79C2BABB31B2D5_6029_DP,N1CCC(CCC1)CN[S](C2=CC=CC(=C2)C=C[S](Cl)(=O)=O)(=O)=O,SGMKEPADVRGJED-UHFFFAOYSA-N
-2D7752587CEEBDF2_23EBABB27B488AD0_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,MISXJSSNRIARHM-UHFFFAOYSA-N
-2D7752587CEEBDF2_A9094184CC93DA58_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,MISXJSSNRIARHM-UHFFFAOYSA-N
-2F134975AF6D30CD_9A5E1AF219983985_6026_UN,[S](=O)(=O)(C2=C1N=CSC1=CC=C2)N3CC(C3)OC4=NC=CC=N4,PNPGGQHWMUSTTM-UHFFFAOYSA-N
-2F389DB8EFD57EF5_55AD6A8054303E33_6038_UN,N(CCC1=CN=C(N)[NH]1)C(C3=CC(=C2C=CC=CC2=N3)N(C)C)=O,VQIGOMOZSDOKLQ-UHFFFAOYSA-N
-308703947961B3F1_52905E7302441F9A_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,WHPIVKQYXUOMAY-UHFFFAOYSA-N
-316E68CECAE01EE9_46EEC380DA5937F4_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=CN=C(C)C=N3,SVJZJZBUZNIDEF-UHFFFAOYSA-N
-31F0EBA7838262ED_B6CB7A1327ABCD50_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,ZRPOPLHWLDQWRC-UHFFFAOYSA-N
-326143103072DE47_0E020BFE903D944A_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=C(C=CC=C2)C3=NC(=N[NH]3)C4CC4,KHODOYDOOUOSCM-UHFFFAOYSA-N
-35DC3A51B2E37503_09AEE6B246622D7D_6029_UN,N(CC1CCCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)[S](=O)(=O)Cl)(=O)=O,UXNPNFBEAKUWNC-UHFFFAOYSA-N
-380401D0C56F8078_D9F0A953AB02A02D_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,KMPHJGVYNMXBBM-UHFFFAOYSA-N
-394BED0DE3065FEE_6EC2D2FE970FAECA_6034_UN,CN1NC(=O)N(C1=O)CC2=CN=C(C(C(C)C)C(C)C)C=C2,PLJHIFGCFLDNTH-UHFFFAOYSA-N
-3AB5C21301A44D9A_1A1474E55488EE0E_6029_UN,N(CC1CCCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(Cl)C=C3)[S](=O)(=O)Cl)(=O)=O,XBCURXKELBOFFT-UHFFFAOYSA-N
-3DCE4480B6B8C623_27C53AD9B2223F69_6029_UN,N(CCC1=CC2=C(C=C1)OCO2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,SKIMDXPFKBEGIZ-UHFFFAOYSA-N
-3EB1D2A43BC97BC9_767F19F2B0ECF927_6026_DP,OC1=NC=C(C=C1)[S](=O)(=O)NC(CC2=CC=CC(=C2)C)C3CC3,REAFPQWDNNAGON-UHFFFAOYSA-N
-3FCAA68C079C2AB9_A21241FBA53A80AB_6038_UN,CC1=C(C=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)C=CC=C3)[S](=O)(=O)NC4CC4,IJLHIFJOEBEDDK-UHFFFAOYSA-N
-4061FC8B1DDA0EBF_28A4B65D6F8B6C6A_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)F)CC4,XUIMGZDUTSNLOB-UHFFFAOYSA-N
-41EE2828954F7D51_A83D068269BBE26C_6029_UN,N(CCC1=CC2=C(C=C1)OCO2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,RANKLKPSMJWZII-UHFFFAOYSA-N
-434DE6B5CA508402_614E296C44821FDC_6038_UN,N(CC1=C(C=CC=C1)[S](=O)(=O)N2CCCC2)C(C4=CC3=CC=NC(=C3C=C4)N)=O,ZZNGYFNGWDWKPC-UHFFFAOYSA-N
-445E87EBCFC5E167_27E32C04D280602F_6041_UN,C2(=C1[NH]C3=C(C1=CC=N2)CCCC3)N[C@@H](C)CN(C)CCCN(C)C,ZIEZFNWVBRCRDW-HNNXBMFYSA-N
-4477D6B1DD78AB3E_B5325E5B78631857_6039_UN,O(C1=CC=C(C=C1)C2=NOC(=N2)C3CC3)CC4=CC(=CC=C4)[S](=O)(=O)N5CCOCC5,WZKNKHMGSVPFFI-UHFFFAOYSA-N
-44D72756723C837E_8F5C56719BCF2E39_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,XLKFHGXFVAIPOK-UHFFFAOYSA-N
-44F5DA7641EE5BF7_0BF025B6AC091208_6005_UN,CC1=C(C=CC(=C1)O)C2=C(C=CC(=C2)C)C3=CC=CC=C3,OYDSRYMYWDRHMR-UHFFFAOYSA-N
-450197B1B3F06EBA_5875BFDC3616C517_6031_UN,O(C(=O)COC1=CC(=CC=C1)[N]2C=NN=C2)CC3=CC=C(C=C3)B(O)O,LWYYVUNXAQZHPA-UHFFFAOYSA-N
-450C4B77EDFA7AD6_DE99507F83F57A5C_6029_UN,N(CC1CCCCC1C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)[S](=O)(=O)Cl)(=O)=O,WWWMNVLRIJSULW-UHFFFAOYSA-N
-459B611D44E8564F_06C31D7C3C88C96B_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CN(C)CC4,FRKNBSZZWNLNMV-UHFFFAOYSA-N
-496FF649BC26BF2B_6DD0C93C45F84B5B_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCC([N]3N=C(I)C=C3)CC4,FQSSBZMPYNRWHJ-UHFFFAOYSA-N
-4DE52309FFB398A3_9E736832D114CEB5_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)[S](=O)(=O)Cl)(=O)=O,ZUFRIMHKRSMOGL-UHFFFAOYSA-N
-4DFB85AD4E61067A_1D8F45AE7B517B1D_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,DBKZPEYJHHGLSJ-UHFFFAOYSA-N
-4E6099B8C004BED0_76A75CE0AE0FBA31_6026_UN,[S](=O)(=O)(C1=NC2=C(C=C1)C=CC=C2)N3CC(C3)OC4=NC=CC=N4,NIHGDFKUJQDFHF-UHFFFAOYSA-N
-4F339F28E217D0C6_6C506CA011DE9FC4_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4)Cl,MMPRHHGJYSJWOC-UHFFFAOYSA-N
-4F861B054235F3F2_043B36F9ED4FC315_6038_UN,CC1=CC=C(C=C1)CN4CCC(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)C4,OOZMZTJQRSPXCZ-UHFFFAOYSA-N
-4FC4C9E3D893B12F_2D19316BF0F9954F_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CCCCC3,LDFMXXPXACBZPI-UHFFFAOYSA-N
-50B9D804B7D2BE98_4DF69B85781FF4E4_6038_UN,N(CCC1=CC(=O)NN1)C(C3=CC2=CC=NC(=C2C=C3)N)=O,TXZDCKTVDJPVHU-UHFFFAOYSA-N
-5170BDC35B867652_690EC7FF47A90066_2201_UN,CC4CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4C,BWFRTXUQLRPRCN-UHFFFAOYSA-N
-51AFA85A322769CB_2408D23C76CC3655_2201_UN,CC(C)C1=CC4=C(C=C1)CCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,OCPRSHURCXVDOH-UHFFFAOYSA-N
-56178C0E91B0CC36_D54EEC3C23D149DD_6026_DP,FC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCC(C3CCCN3)C4,SGJUEBIVDWNDGW-UHFFFAOYSA-N
-56CF6F55185B1C6A_69820DBF31B9D35B_6041_DP,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC=C(O)C=C3,YLGCGGMYOBZILU-UHFFFAOYSA-N
-56CF6F55185B1C6A_92C64E2B4FDD1455_6041_DP,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC=C(O)C=C3,YLGCGGMYOBZILU-UHFFFAOYSA-N
-575D4DB8B1B9F054_A3D2A7FF5B27B16C_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,KWYZTGZYQGFDMI-UHFFFAOYSA-N
-57CAC7422B730EC9_E95DA73D8EFDF1B8_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,CXIPTKZUMFHIRN-UHFFFAOYSA-N
-58B2370D10DD125D_67BEAD66E286F3D7_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3,BFCGHJRXUKQTLT-UHFFFAOYSA-N
-5C30F678A0E41D40_E3BFFE2E82420DA8_6038_UN,CC1=C(C=CC=C1NC(=O)C=CC2=CC3=C(C=C2)C=CC=C3)[S](=O)(=O)NC4CC4,UMYCVKUNBBHZBR-UHFFFAOYSA-N
-5EA35118F57F4B2B_B485E52B4D3BCEAA_7019_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC(=CC=C3)C4CC4,GHLDMARLLDOVRB-UHFFFAOYSA-N
-5EC2F1D603C8FB0E_0DF7ED3AA6FAACDC_6038_UN,O(C(C1=CC=CC=C1)C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,SYAGHNRBBPCFTB-UHFFFAOYSA-N
-61D141F7C41450FA_2D56153D1B6AF256_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=C(C)C=CC=N3,SLVCGZASWTZRBH-UHFFFAOYSA-N
-6386C8FE39BEFC33_19F3319BE312D016_6036_UN,C(C1=CC(=CC=C1)C2=NC=C(C=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,LAYHXNBJMMTGFG-UHFFFAOYSA-N
-63A510DA63213CDC_0BAA931CDAFD774D_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=CC(=C(C=C3)[S](=O)(=O)Cl)O)(=O)=O,DLJHIHQNBRVOSH-UHFFFAOYSA-N
-66B37413A778FD33_E8C93DA984948748_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCCC3=C(C)N=CC=N3,MNWFXQRZMUQVLN-UHFFFAOYSA-N
-69E9738AF24C92DA_BBBB9C4D2C97841E_6038_UN,N(CC1=CC(=CC=C1)[S](=O)(=O)N2CCCCC2)C(C4=CC3=CC=NC(=C3C=C4)N)=O,JMACBWGSWZMDCA-UHFFFAOYSA-N
-6A398404D6944EE4_AB5DEB283AD10B5A_6038_UN,O(C1CCCC1C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,WECSXVFLVCHWMO-UHFFFAOYSA-N
-6BA5BE67738EA41F_AC91F8A6295C17B1_6038_UN,N(C1=CC(=CC=C1)OCC2=CSC=N2)C(C4=CC3=C(C=C[N]3C)C=C4)=O,ZTAAJVWQLABBLX-UHFFFAOYSA-N
-6C9548D250FEF5A7_F1F708061BC2D605_6038_UN,COC1=C(C=CC=N1)CNC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3,RGKCSXLXOZSXMO-UHFFFAOYSA-N
-6DA0019D54EBD2B7_B180570B952FDEF0_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,NDXCEACJETUROK-UHFFFAOYSA-N
-6F5F0685E83A8710_5300DA1DE9E2BA26_6038_UN,O(C(C1=CC=CC=C1)C2=CC=NC=C2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,STUMYPFHNRMBAM-UHFFFAOYSA-N
-6F96F92F8751648D_1B7AD6DE83A1E386_7019_UN,COC1=C(C=C(C=C1)[S](=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC=CC(=C3F)C4CC4,MWNLAUTZTCHQNF-UHFFFAOYSA-N
-71373494ABE18E1C_CE137AD50423DE09_6038_UN,N(CC=CC1=CN=CC=C1)C(C2=C(C)C=CC(=C2)[S](=O)(=O)NC3CCCCC3)=O,HKBOMTCFOIURBY-UHFFFAOYSA-N
-71CC4226454A7E44_F27F687F39B4612B_6034_UN,ClC1=CC2=C(C=C1)N(C(=N2)C3CCCN3)CC4(CN(C)C)COC4,DYNOUUPIWFLJIP-UHFFFAOYSA-N
-757211E2CFB92D91_C49A66A5BE2D90BE_6029_UN,N(CCC1=CC2=C(C=C1)OCO2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,MVKPJHGSNAYMBD-UHFFFAOYSA-N
-76BDF1DDC9294236_FA7956A2B9EB10A5_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=C(C=C(C)C=C2)C3=NC(=N[NH]3)C4CC4,MYNLAEOUYOCSJO-UHFFFAOYSA-N
-76C4CB46DA01A2AA_A117BB9D48C703A8_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,JNQDVVGCMDBWLI-UHFFFAOYSA-N
-781263670F08801B_68D7533F270CEE58_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,XIDLEIWNWNFDOE-UHFFFAOYSA-N
-78D803A7AB7EE518_35A359ED4D49A536_6035_UN,O(C(C1CC1)C3=C2OCCC2=CC(=C3)Cl)C4=C(C[S](C)(=O)=O)C=CC=C4,WDRJFIVHMTYRQT-UHFFFAOYSA-N
-825BA9A5DEC61000_12AC1F11D1BE2B2B_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)[S](=O)(=O)N4CCCC4)(=O)=O,VUEIVANYXKXDBV-UHFFFAOYSA-N
-840F4F74853E8148_BC2CED68BD52793B_6041_UN,CC4CC1=C(C(=CC=C1)NC(C2=NC=C[N]2C)C3=NC=C[N]3C)O4,BFQRWCVYIIHPSG-UHFFFAOYSA-N
-84937E975A24ADC3_10A4B9DB35B192D7_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)[S](=O)(=O)N4CCCC4)(=O)=O,BJMBAVMFWHTTJZ-UHFFFAOYSA-N
-8985BA813CB2F356_D02B72A654580C40_6038_UN,N(CC1=C(C=CC=C1)[S](=O)(=O)N2CCCCC2)C(C4=CC3=CC=NC(=C3C=C4)N)=O,POLAFWDYDRIQLO-UHFFFAOYSA-N
-89A65EA321993508_CAA9448070ABCAA7_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,PDZSXBSXGLDPGN-UHFFFAOYSA-N
-89C1D5053B97655E_E0AE63298FE04CD5_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,UXPYAUBZZYEPHM-UHFFFAOYSA-N
-89F9721701C9EC40_593CF7AFF5B8DA6F_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC(=C(C)C=C2)C3=NN=N[N]3C4CC4,XTTMHGVHKQBSFQ-UHFFFAOYSA-N
-8C44AB7CC1C68233_B340D76C42D5C261_6038_UN,N(C1=CC(=CC=C1)[N]2C=NN=N2)C(C(NO)CC3=CC=CC=C3)=O,JVTGUQQTOZXPOO-UHFFFAOYSA-N
-8E1F29BEC785004C_53D30077310AE40F_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,WUDLZQXGDZCDAQ-UHFFFAOYSA-N
-8F32D40D8C882709_286865B5B80B3099_6029_UN,N(CC1CCCCC1C2=CC=CC=C2)[S](C3=CC(=C(C=C3)[S](=O)(=O)Cl)C)(=O)=O,WIJUTLIJISEWTA-UHFFFAOYSA-N
-8FFE7325917C3CBF_CCDEF4FF83937AE8_6026_UN,[S](=O)(=O)(C1=C(C=CS1)C2CC2)N3CC(C3)OC4=NC=CC=N4,XFSRSQGJSIRMJI-UHFFFAOYSA-N
-903441092CC26F4D_69B8F92D4C254132_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,DXYQNXFAXOMKND-UHFFFAOYSA-N
-912F5F79FCA4E4EE_1B260BF0B2464E0D_6031_UN,O(C(=O)COC1=CC(=CC=C1)[N]2C=NN=C2)CC3=CC(=CC=C3)B(O)O,ANINQSPAMOVTAB-UHFFFAOYSA-N
-918C5AC2EDCE9898_9033061FEA894AA0_6026_UN,[S](=O)(=O)(C1=C(SC=N1)C2=CC=CC=C2)N3CC(C3)OC4=NC=CC=N4,BQBBGOXONRGLAC-UHFFFAOYSA-N
-9383B07735BA2C16_6F8E7F82FFA3EE79_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)NC2CCCC2)C(C=CC3=C(C)C=CC=N3)=O,QTVWDFABBCQRDW-UHFFFAOYSA-N
-94ADBF149D1CFD73_F7DB183106B5E4B0_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,SEUUKQAXELCCCG-UHFFFAOYSA-N
-979CBC9EBC3F7E12_C464C2BB1E088825_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)N3CCC4=C(C=C(C)C=C34)C,CMXWEJLVVWKANM-UHFFFAOYSA-N
-9A0B9FE4E2FDDC04_8FD18FC1E5F39FB3_6034_UN,ClC1=CC2=C(C(=C1)Cl)N(C3=C2CNCC3)CC4(CN(C)C)COC4,XKERQTURJLFKIW-UHFFFAOYSA-N
-9A5A8B3E3C3A7EA5_E81923A6ED8DF3B8_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,VTOVEKRUVSYFLI-UHFFFAOYSA-N
-9B20631432E5AF29_CB1ACEA8FC72E522_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC=C2)N3CC(C3)OC4=NC=CC=N4,XYQMSNNVCXYOLE-UHFFFAOYSA-N
-9B9058B88940D320_55BA57B73173643C_6029_UN,N(C1CCCCC1CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)[S](=O)(=O)F)(=O)=O,QSWGQWAFRYWJOK-UHFFFAOYSA-N
-9C950FBDF522D495_E0FC1BA09AB4FE97_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=N2)C(F)F)(=O)=O)C3=CN=CC=C3,VGFVGMKZLVWETK-UHFFFAOYSA-N
-9D287C43B4B9165C_F286033AF22DD904_6038_UN,N(CC1CCN(CC1)C2=NC=CC=N2)C(C3=CC=CC(=C3)N[S](C)(=O)=O)=O,ARBUNBPJWARKHX-UHFFFAOYSA-N
-9E2D2A87339CC9EC_1974781FB34B9454_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=CN=C(C)C=C3,RPKAXBFMLKRHND-UHFFFAOYSA-N
-9F30FF308ECD71FD_F558E66873B331B0_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,SEPZHSCGYFXHCE-UHFFFAOYSA-N
-9FD0602DE73E9FB9_29627CA211F70913_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,FDEAILAGUAPCEM-UHFFFAOYSA-N
-A0EDFBB6DF30E90A_F183E1C7B98B75F6_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,WDSPVOIZJBCHCF-UHFFFAOYSA-N
-A443D70F64377785_B04F0F1C63D08474_6026_DP,FC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCC(C3CCCN3)C4,HOIRXCJIWCADMK-UHFFFAOYSA-N
-A5674B55B9A51A25_ED16E41B2D2385B2_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)NC2CCCC2)C(C=CC3=C(C)N=C(C=C3)N)=O,INPANQYBANNZBO-UHFFFAOYSA-N
-A8989D603629629D_11104FAE6ADA0F75_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)CCN(C3=NN=C(Cl)C=C3)CC4,BSZKCDOQTNQNQK-UHFFFAOYSA-N
-A910082CB08146F3_9D90616A1F3D0CF0_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CC3,FTELMNVIAAUZDA-UHFFFAOYSA-N
-A9200BB23D514AA0_21E8D04ED3340BDA_6038_UN,CC1=NC=C(C=C1)SC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3,KEEDRQJYKJMYAN-UHFFFAOYSA-N
-AA69D90D22D69EBE_A8E87284441BA025_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)N3CCC4=C(C)C=CC=C34,FLWNLLZGZOYVRV-UHFFFAOYSA-N
-AA900D0426EC56AA_9E7E5136A1D40CD0_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Cl)CC4,ZBBRUNGMBABLJB-UHFFFAOYSA-N
-AEF0F759211A32A1_1431C6EC5BD16E46_6039_DP,N1CCCC1C2=CC=C(C=C2)OCC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,FVCUALVZJCVMIJ-UHFFFAOYSA-N
-AF39C49A51963765_945A92798F1F5CAA_6034_UN,ClC1=CC2=C(C(=C1)Cl)N(C3=C2CNCC3)CCCN4CCC(N(C)C)CC4,HXXBQDIIKQIMPN-UHFFFAOYSA-N
-B13F952B86225844_AA15E42F4AFA89BA_6038_UN,O(C1=CC(=CC=C1)C2=CC=NC=C2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,MYRBWWFZPBXYLD-UHFFFAOYSA-N
-B1D96CFBD4AA30DE_3BE9BF15AE8985A8_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,MBRNUQSOXCXUIO-UHFFFAOYSA-N
-B2AD14B3D86D6A6A_49CEBC19F3D1C2DC_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,TUNRKDATJIJBKU-UHFFFAOYSA-N
-B2B3BED261691F1F_E61EB020F42FC64E_6038_UN,N(CCC1=C2C(=CC=C1)C=CC=N2)C(C3=C(C)N=CC(=C3)[N](=O)=O)=O,RKEKMVGNCTXQBR-UHFFFAOYSA-N
-B2B9BB4796A2F15C_BA068D43E762211A_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=CC(=C(C=C3)[S](=O)(=O)F)O)(=O)=O,ZCKGINVTKKYLRM-UHFFFAOYSA-N
-B3B0062EE37C0E3F_2EF2F13EED6082C8_6038_UN,N(C1=CC(=CC=C1)[S](=O)(=O)NC2CC2)C(=O)C(=CC3=CC=CS3)C4=CC=CS4,DJYCHXWMRNAENY-UHFFFAOYSA-N
-B434874503D19D5D_E74921DB0C7F385A_6029_UN,N(CC1CCCC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)[S](=O)(=O)Cl)(=O)=O,ORAZMUPQKBDZIY-UHFFFAOYSA-N
-B5576E94EF885E63_B54339BDF1AF57CD_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,FOABEQRWFVPXKS-UHFFFAOYSA-N
-B6EB1541DE7A689B_2A075B35857B2C5A_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,SDTWWIIRPWOUGH-UHFFFAOYSA-N
-B837245AFFCFF988_73486B535173F9D1_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,XWQAGQLIMCYGOR-UHFFFAOYSA-N
-BAB6F288550504B5_8F164529696C42E2_6038_DP,CNCC1=C(C=CC=C1)NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3,PUTRJYWMFVYPDC-UHFFFAOYSA-N
-BC76F610B5AB4169_BB0CE1056C513522_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,ZJEIEVOQFWJKCK-UHFFFAOYSA-N
-BCB85BD7946C15CE_77F3D7C1C1EA9F2D_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C(NO)CC3=CC=CC=C3)=O,GOGJVJAXTDDZHO-UHFFFAOYSA-N
-BD4D72B691BD1B0A_77F1A3FF3FDDEE21_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCCC3=CN=C(C)C=N3,ZPFWJSLLGHXOGO-UHFFFAOYSA-N
-BD5FD072D6454B8B_A709A050911FF52A_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,YZPTYECJZMHPCA-UHFFFAOYSA-N
-BE83988A1EA1A83A_6FB9FC8179715D84_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=CC4=C(C=C3)OCO4,PWSRWTHIKFDKOQ-UHFFFAOYSA-N
-BEAE999964BF6CEB_FF7B7CFEA6A5C6C4_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,LECRWQYOWQRFOJ-UHFFFAOYSA-N
-BF3568D536643CEF_EDA9788A3A9D3E60_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=CN=C(O)C=C3,DRNCSHZTJOGTEK-UHFFFAOYSA-N
-BF84E25269DDB35F_56A5C46822326A70_6026_UN,[S](=O)(=O)(C2=C1SC=CC1=CC=C2)N3CC(C3)OC4=NC=CC=N4,ZLJBCNUGLJZKDI-UHFFFAOYSA-N
-C27E70E4F75B9996_90588C5D0CDC52B7_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,OCNUDHGWWOZBHE-UHFFFAOYSA-N
-C31B4AD20EB873F3_5329D8ADB231ED98_7019_DP,C(C(=O)NC1=CC(=CC=C1)C(=O)NC2CC2)=CC3=CC(=NC=C3)N,KMBPBNPNAWSLAH-UHFFFAOYSA-N
-C42475B27C854A20_E8F3D839F5C6DBDA_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,IOFSDMJJPUUZBF-UHFFFAOYSA-N
-C48E926A76D94D8A_F4535B9FD0B17E2D_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,IDHAXFVLQSPRHW-UHFFFAOYSA-N
-C48FF6B2856826BA_42EC951451819CF5_6036_UN,C(C1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,VDNJCCVTQWBIPJ-UHFFFAOYSA-N
-C590439DBD992CC6_06EB7DEAEAF1B363_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCCC3=C(C)C=CC=N3,QJESJBSCVBFDBH-UHFFFAOYSA-N
-C79F230434C17389_4435DF7F57A958DE_6038_UN,N(CCC1=C2C(=CC=C1)C=CC=N2)C(C3=CC=CC(=N3)NC(C)=O)=O,NMVPQYONGSLTAK-UHFFFAOYSA-N
-CA40E50D06C87F3D_78561D0D67D7E8C0_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,PPQAZVKFLIUQMJ-UHFFFAOYSA-N
-CA4FBBAA89905A07_5EA7291AB29CBE59_6029_UN,N(C1CCCCC1CC2=CC=CO2)[S](C3=CC(=C(C=C3)[S](=O)(=O)Cl)C)(=O)=O,ZWNMKMWMKITMFE-UHFFFAOYSA-N
-CB42FD2EAD7D705C_A53B674E71E769E3_6036_UN,C(C2=C1N=CC=CC1=CC=C2Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,CMAKAKAMTJPMHE-UHFFFAOYSA-N
-CBE9A7642DB217C0_B54C631EC76792A9_6038_UN,O(C1=CC=C(C=C1)O[P](=O)(O)O)C(C3=CC2=C([N](C)C=C2)C=C3)=O,AMNOPSIEOAHFQJ-UHFFFAOYSA-N
-D03603D770ECA12D_F5651C2EA3ABD5B7_6026_DP,OC1=NC=C(C=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CC3,INMJUOAYYKHQPH-UHFFFAOYSA-N
-D13DB6A675F9B072_055941E0199E64D3_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,BUPOBUUMXXHLAZ-UHFFFAOYSA-N
-D1D3F8AC15757139_FB9E98A9FAE930D6_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2N(CCC2)C3=NC=CC=N3,HIVMUPJANXMLSQ-UHFFFAOYSA-N
-D2A958BB7A49CD67_D0CFBDA7ABE99553_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(Cl)C=CC=C3)CC4,AFEYFXLYCGZMQC-UHFFFAOYSA-N
-D2E2AA80888E7956_BFC961AA42F4BA59_6029_UN,N(CC1CCCC(CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[S](=O)(=O)Cl)C)(=O)=O,JRXIGTNMRIPJSL-UHFFFAOYSA-N
-D4370DB447A557D8_A18BB564189D3002_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,CBOLNVXRTJBVHW-UHFFFAOYSA-N
-D59A896811DA4601_5F7B8B685285DD6B_6038_UN,COC1=C(C=C(C=C1)NC(=O)C2CCCCN2C3=NC=CC=N3)[S](=O)(=O)N4CCCC4,RNWJBUWZZUGNDY-UHFFFAOYSA-N
-D6BAB600E3432270_C9F29A7088182EC5_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)C(=O)C(=CC3=CC=CS3)C4=CC=CS4,MBMQMIQBCJMSJG-UHFFFAOYSA-N
-D8A5396C02A9293F_7A728331092D5BFC_6029_UN,N(CC1C(CCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)[S](=O)(=O)F)(=O)=O,GMRHJQGTRMGFHY-UHFFFAOYSA-N
-D9309D631EA5063B_93BBE4C41B4B8D53_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N[C@H]3[C@@H](C3)C4=CC5=C(C=C4)OCCO5,PPHGPMGCUWODOB-ZWKOTPCHSA-N
-D9F8464064C6108A_833314437C33E94A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,SCNWSYPFTHRHKE-UHFFFAOYSA-N
-D9FFBC0715B99583_E09BD746398319E2_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,JDSLWRIHTCOTOP-UHFFFAOYSA-N
-DA2FD96EFC9AAB81_F453C953BA7A6F84_6038_UN,CC(N3CCC(NC(=O)C=CC1=CC=C(C=C1)[S](=O)(=O)NC2CC2)CC3)C4=CC=NC=C4,OMQRNXKIMLWDBT-UHFFFAOYSA-N
-DCFD8CD46D6EDC10_595AFDD71E06A649_6038_UN,N(C1=CN=C(C=C1)[N]2N=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,RKCYYERKEJSIIC-UHFFFAOYSA-N
-DEC0987369971FCA_470A61A02518B982_6038_UN,CC1=C(C=CC=C1NC(=O)C=CC3=C2C=CC=CC2=CC=C3)[S](=O)(=O)NC4CC4,RBSANINLNQPHSW-UHFFFAOYSA-N
-DF737526AA945F90_7F712D33F24F9E23_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,KDJSDUYPLHZOAZ-UHFFFAOYSA-N
-E08C41506B83B835_C9CC922A95DD9C48_6038_UN,O(C1=C(C=CC=C1)C2=CC=NC=C2)C(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NC4CC4,NMPOWJBXCSAVDY-UHFFFAOYSA-N
-E602254CCD669D6D_97C327481C62E67C_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)C(C3=C(C)C=CC(=C3)[S](=O)(=O)NC4CC4)=O,ATYKYZVBTKJGRL-UHFFFAOYSA-N
-E68E4D55DA52373A_12292F791A8E11F4_7019_DP,C(C(=O)NCC1=CC(=CC=C1)C(=O)NC2CC2)=CC3=NC=CC(=C3)N,SVQKDRZAGYLJBR-UHFFFAOYSA-N
-E6DFEF1CD4A10DD3_AFA5BC3036305E80_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4)Cl,LKYSWMWQBGZNFH-UHFFFAOYSA-N
-E700DAD8B5CB8E70_A0C30A8EF7086E20_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CC(CC3)N4CCCCC4,RNUZKOPPAHHEGS-UHFFFAOYSA-N
-E7873D2ADA65DFF3_C59EE4C0743B1A78_6038_UN,N(C1=CC(=CC=C1)C2=C[NH]N=N2)C(C(NO)CC3=CC=CC=C3)=O,ODOVBZZOCDPSAQ-UHFFFAOYSA-N
-E7E61F2454071728_838E15FB731B0377_6029_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=CC(=C(C=C3)[S](=O)(=O)Cl)O)(=O)=O,COJGPDADPNWWBX-UHFFFAOYSA-N
-E8D49AF402F365FB_80CA114F2AC35CDC_6031_UN,CC(C)C1=NN=N[N]1CC(=O)OCC2=CN=C(N(C)C)C=C2,JMXKPSKNEPEMSG-UHFFFAOYSA-N
-E944D5CAC7BF586C_41E8FB0967064778_6038_UN,CC1=C(N=CC=C1)C(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)C4CCCC4,VIGPPEHDYJJQBX-UHFFFAOYSA-N
-EAA7BF96D5F9D56B_0B761498E718C80A_6038_UN,CC1=C(C=CC=C1)C(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)C4CC4,HJEGYDDGKUYGPS-UHFFFAOYSA-N
-EC193755833187C6_88F0D4A9742B3A85_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,FXBAOSGAPZMNDX-UHFFFAOYSA-N
-EC203FA331C1BFCB_7E2C703BD4AC4892_6034_UN,ClC1=CC2=C(C(=C1)Cl)N(C3=C2CNCC3)CCN(C)CC#C,ODYKFJVXXDNALN-UHFFFAOYSA-N
-EC5E81F74F6516E6_802074C72DBA2E07_6029_UN,C1=CC(=C[N]1[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,MOBDHGAHQFQJNP-UHFFFAOYSA-N
-ECE4E4CD00F197EE_357641AA3428D541_6038_UN,N(C1=C(C=CC=C1)[S](=O)(=O)NC2CC2)C(C=CC3=CC(=C(N=C3)N)C)=O,RKAHXNVJVZWXPX-UHFFFAOYSA-N
-EDE8670683BEF48E_F6D7E6F804CBD4E1_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,LMIPMUVDFCKJPT-UHFFFAOYSA-N
-EE23316F35708F06_97063D1A326BCAB0_6038_UN,N(CC=CC1=CN=CC=C1)C(C2=CC(=C(C)C=C2)[S](=O)(=O)NC3CCCC3)=O,SLERWCKIQWKYMC-UHFFFAOYSA-N
-F35FDA49FAFE8521_A629B7E73F4EB526_6036_UN,C(CC1=C(N=CC=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,GZGKDYVTOBEWFC-UHFFFAOYSA-N
-F5E280A71729FDE7_5D8C1D149D31BA17_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,ICHPWIOFYYGSEK-UHFFFAOYSA-N
-F87512DF2DC71E03_CED93F302EBA924B_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=CC=C(N3CCN(C)CC3)C=C4,ZJNSRCLDFVMQIO-UHFFFAOYSA-N
-F8AF38257B49ED01_1D4ED762D352FAA4_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,JAJUXTFYUIBLIL-UHFFFAOYSA-N
-FB38B3609CD9362E_C4827DE80D2FD57D_7019_UN,CC1=CC=C(C=C1)[S](=O)(=O)NC(=O)C=CC2=CC(=C(C)C=C2)C3CC3,LYCQEIKCPBLEKE-UHFFFAOYSA-N
-FB99D53AF21B4CB1_839659FC6BD627E1_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,GAFAAKWEQJMNTH-UHFFFAOYSA-N
-FCFE86A68B912C70_D59F5947C3ACF266_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,YIAXLKQJYBQNKZ-UHFFFAOYSA-N
-FD5830B78828F6D2_25479963C0B6DB8E_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C4=CC3=C(COB3O)C=C4)=O,PWNMLPHAEPFFQQ-UHFFFAOYSA-N
-FD8598D0833AB1B2_11675C1A341DD245_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC4=CN=C([N]3C=CN=C3C)C=C4,DYDOZADZUPWUMU-UHFFFAOYSA-N
-FDBE0D44B9042755_AAA1D2B42970A251_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NCC=C3CCNCC3,JTXVYYLINJJVQY-UHFFFAOYSA-N
-FED24B2FA8EBDB2E_E89ADDD9171CDD82_6038_UN,COC1=C(C=CC=C1)CN4CCC(NC(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)NC3CC3)CC4,UYYCVPYSUYGPQY-UHFFFAOYSA-N
-01DF042FA1428A1C_8F76A62863A67D60_6028_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C=CC=C4,LKRJFNZAEMXING-UHFFFAOYSA-N
-04336843EFE23D99_268256C46620482B_6029_UN,CCC=C1CN(C1)[S](C2=CN=C(OC)C=C2CCl)(=O)=O,YUJQROIAMARKHE-UHFFFAOYSA-N
-04BB6951C1302BB0_241C74346ECAD6F4_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2C)C(F)F)(=O)=O)C3=CN=CC=C3,KRDLEHLWINQCRL-UHFFFAOYSA-N
-07BF57FE82033879_44A91011E530598E_6005_UN,COC1=C(C=C(C=C1)O)C2=C(C=CC(=C2)C)C3=CC=CC=C3,ICPGISJYOZVIIU-UHFFFAOYSA-N
-089CEB32EA85D4EC_D10FA3F37DDFC6D8_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CC4,PNTIJJDXNCCGSW-UHFFFAOYSA-N
-08E0245D96F78EC0_02FC8A2754C954FF_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C([N](=O)=O)N=CC=C3)(=O)=O,XWFXNRAEWPWYSP-UHFFFAOYSA-N
-09550927E0D6FDB7_EBF640B0367F2D22_6029_UN,COC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=C3CCCC3=CC(=C4)F)(=O)=O,LJKJATILPCONTE-UHFFFAOYSA-N
-0A5439D4820F199B_5CA57FD0AF3A10E2_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC2=C(C=C(C(=C2)F)N3CCOCC3)F,MFTQIIFCIBEEKI-UHFFFAOYSA-N
-0A637CD51E32882E_B7E029C8983A2C3E_6029_UN,C1=CC(=C[N]1[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,HGTOMIGPRNBWFI-UHFFFAOYSA-N
-0B4AC49F0866EC1F_EABF385773A389F0_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=CC=C(O)C=C3,OFGVASKTVVFQST-UHFFFAOYSA-N
-0E1FAEAA22ACCABC_FF6ABFF06128FBB0_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CC(N)CC4,JKWOJAXXWFICHG-UHFFFAOYSA-N
-0F1069951A1F8345_D9185A577CE44983_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(CC(C)C)S3)(=O)=O)C=CC=C4,HCCCBRMJKUSNDJ-UHFFFAOYSA-N
-1181C465A5212BFD_89A116F6CF2B21EB_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,XMDQEDNQMBNSCU-BXUZGUMPSA-N
-166A0E7A74A9A1A4_5E7967549C7E9909_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC=C[N]2C3=CC(=CC=C3)Cl)(=O)=O,FZWNYSJLBIQJMD-UHFFFAOYSA-N
-16FABC19BB611B78_850C303D4CF47843_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C(=CC(=C3)F)F)(=O)=O,TZRMGGOUBOJYJZ-UHFFFAOYSA-N
-17E27B1241FBE807_572DF81B9B28EB01_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,MEERQJVZFZCBBM-UHFFFAOYSA-N
-1D5A10C495183379_EA8201371274E57D_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,YLNYKEFQXQSCEW-UHFFFAOYSA-N
-1D6E8E2FFAE06A9A_CB5C6DCDF0F40068_6026_UN,[S](=O)(=O)(C2=C(C=C1COCC1=C2)Br)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,BJOMLHJCUURSIM-UHFFFAOYSA-N
-1E9B879CF9323BF0_18D81BDE62ADBFE6_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,ROOXHBKAUVPEON-UHFFFAOYSA-N
-1F3803812D59365B_EA1B7409117CE905_6038_UN,N(CCC1=CC=C[NH]1)C(C(C)(C)CN2C(=O)C=CC2=O)=O,OKPGBPAAVJLLQC-UHFFFAOYSA-N
-1FA285B99AB392B3_D38B623994BFEF33_6003_DP,N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=C([S](Cl)(=O)=O)C=C3C#N,ICFWVLJPIIZUKE-UHFFFAOYSA-N
-2366083D7BA16644_1A052F98F13A0055_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3(C(N(C)CC3)=O)C)=O,IOXTWGDKXGPCDA-UHFFFAOYSA-N
-246F1B3EF407CDF8_6A4BFA8367F98D31_6029_UN,CC1=C[N](N=C1I)[S](C2=CN=CC(=C2)N3CCN(CC)CC3)(=O)=O,DXNPUZQKEBWRPH-UHFFFAOYSA-N
-24D9D3B9CF23B711_281ACFABF26BA326_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(CNC)C=CC=C3)CC4,AEQHXRQRZSSDAH-UHFFFAOYSA-N
-2540FF81970019BE_FF707B403C0F2A1E_6038_UN,N(C1=C(C(=CC=C1)F)C#N)C(C2=N[NH]C(=C2)CCCCC)=O,ZSYIVMIDLVIHNU-UHFFFAOYSA-N
-2688AB87B8D6926A_958DDA7E2E01D2F6_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,ZOEDTWWMPUMTDR-UHFFFAOYSA-N
-2A7289218610E4DC_184597391BC80D13_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC5=C(OC3(CCC3)C4)C=CC=C5,HEQRICNIFSNITR-UHFFFAOYSA-N
-2ABF611484042067_B881759AB2BB6D89_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3C(C)(C3)C,ZVOAZHWMMBNMRH-UHFFFAOYSA-N
-2BA07D645DC0E4D2_8D7DB6560907E228_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC(=C2)Br)N4CC5=C(OC3(CCC3)C4)C=CC=C5,HJAMKNOEMUNRKI-UHFFFAOYSA-N
-2C0BB229B44D78CD_6555FA25696193E5_6029_UN,C1=CC(=C[N]1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,UPTXWTGTMDRMHJ-UHFFFAOYSA-N
-2CF558673DDE2F67_E10153873733ABFD_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,ARGZNDJYQAFEBX-UHFFFAOYSA-N
-2E940B23B696FD4D_3E37EFCACA09F5AF_6039_UN,CC(COCC(NC1=C(C(OC)=O)SC=C1)=O)CN(C)C,IGCJBMFINXJQPG-UHFFFAOYSA-N
-32601EE030D660EB_9B87109197EBDF2E_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,HJOFFSDHSWOFCG-UHFFFAOYSA-N
-327CE1A2248AC601_FF4456F0A8BFB58A_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCC4,UFBAAWYTENAPPU-UHFFFAOYSA-N
-32F5127776221075_74A37282D22C675B_6041_UN,FC1=CC=C(C=C1)C3=C2C=CC=CC2=C(N=N3)N[C@H]4CN(C[C@H]4OC)C5=NC(=NC=C5)N(C)C,RPDLQZHGYORNAF-LEWJYISDSA-N
-36B3AC033D8D8884_00C8172E21B2E012_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Cl,LRTCRDNOGBZJOZ-UHFFFAOYSA-N
-36E156C050F144F2_784B15AB6F2FBCCC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)[C@@H]2C[C@@H](C2)[N]3C=NN=C3,IFBQSFDRSUIGIA-AOOOYVTPSA-N
-3883507490453135_72043642EE9E9F90_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,VYZZSRXPFQTROQ-UHFFFAOYSA-N
-3A1ABABA4BC49541_6A34A099013AF81D_6041_UN,FC2=C1SC=C(C1=CC=C2)NC3=C(N(C)C)N=C(N=C3)N4CCOCC4,IQKAICDWEFYLPM-UHFFFAOYSA-N
-3A20403A891C329C_1231C70321EF33E4_6034_UN,CC1=CN(C(=O)N1C2=CC=C(C=C2)C)CC3[C@@H]([C@H]3C)C,ZKDIYWHEEPHWHV-ZIAGYGMSSA-N
-3AD42F7E4F72F0FE_371C2A09B19BA64B_6003_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C([N](=O)=O)C(=C2)OC(F)F)F)C=C3,PLGHVVRHGZBZCB-UHFFFAOYSA-N
-3BFF546D9C9E9C6A_43E203A8B022F885_6029_UN,C1CN(CCN1[S](C2=CC(=NC=C2)C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,MYTFRWGMNKRBNV-UHFFFAOYSA-N
-3C26C611F0B06034_68B32D4D4031BFD5_6029_UN,CC1=C[N](N=C1Cl)[S](C2=CN=CC(=C2)N3CCN(CC)CC3)(=O)=O,DRYHELSTQIAPQY-UHFFFAOYSA-N
-3E9F8CF68A2547B5_1D4CF007A1FB16DB_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C3=NC=CC=N3,WQEIHMJDPHECBF-UHFFFAOYSA-N
-40DD620241F26209_57BAEACFCDDFF11F_6029_UN,N#CC1=CCN(CC1)[S](C2=CN=C(C=C2)C3=NC=CO3)(=O)=O,JTPDMZVBEAEPRC-UHFFFAOYSA-N
-436C0E7994F2FBEB_0690D6CC50370F04_6029_UN,C#CC1CCN(CC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,UHYNLIBFWOFQQL-UHFFFAOYSA-N
-455A35962F70A7AF_0D2E3780F43790BE_6041_DP,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(N2CCNCC2)C=CN=C3,IBQSDGYWKPGJDV-UHFFFAOYSA-N
-458028E3B1FC4C4E_9037AE3EFC206F1C_6041_UN,C2(=C[N]1N=CN=C1C(=C2)C#N)NCC3=CSC(=N3)N(C)C,RPTGMLKKQBBRTB-UHFFFAOYSA-N
-460F028A88509A37_4996D462333410B0_6029_UN,ClC1=CCCN(C1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,DQPXWBLYBVONRL-UHFFFAOYSA-N
-46D15FF978B99920_3AF8419F050FC7E5_6029_UN,C1C=C(CN1[S](C2=CC(=C(OC)C=C2)Cl)(=O)=O)C3=CC=CC=C3,XHUFERCGCKCWDX-UHFFFAOYSA-N
-46D15FF978B99920_B6F7196EF3B168BF_6028_UN,C1C=C(CN1[S](C2=CC(=C(OC)C=C2)Cl)(=O)=O)C3=CC=CC=C3,XHUFERCGCKCWDX-UHFFFAOYSA-N
-46F64FCC75A07D9A_23232330C229750B_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,MFCXMHUHRCBMPX-UHFFFAOYSA-N
-4806474FEC06D5DC_F0426975B3FB5820_6029_UN,C1=CC(=C[N]1[S](C2=C(C)C3=C(C=C2)CCC3)(=O)=O)C4=NC=CC=C4,HAFJJSXUECDHKN-UHFFFAOYSA-N
-483863855ACD9C50_39132F0AA4A87068_6005_UN,CC1=C(C=C(C=C1)[S](=O)(=O)Cl)C2=CN=C(C=C2)N3CCCC3,HLKLSPCYHPQXFT-UHFFFAOYSA-N
-4A434C5529922DDD_89DC45426299118D_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,CKWOMFWOKXYBRA-UHFFFAOYSA-N
-4B2D4C7672DB89A9_D19FF489551421C2_6041_UN,OC(=O)C1=CC=C(S1)NC2=C(C)C=CC(=C2)N3CCOC3=O,UTXRNSMWAZGSKQ-UHFFFAOYSA-N
-4C5EBACA56716D56_5D2A66A35FFFC5C1_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC(=C(C)C=C2)N3CCOC3=O,NSSCTWFCSCVMMX-UHFFFAOYSA-N
-4CB1FCB31E565B85_A4F82C6B7A78D0CF_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3=CC(C(C)(C)CC3)=O,ADJFDFYIUDXEGC-UHFFFAOYSA-N
-4D1F555D39A1A350_479DBD029B99D13A_2201_UN,CC3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,SWPFWAHCYPMQRX-UHFFFAOYSA-N
-4E10DC18994FC99B_FF2FAE9B32C2E8D9_6034_DP,C[Si](C)(C)C#CC1=C[N](C2=C1C=CC=C2)CC(=C3CNC3)F,ZSGCFDDEMCSNMP-UHFFFAOYSA-N
-4ED129EC3DB66089_A97BACC04E00B5F6_6029_UN,C1=CC(=C[N]1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,VLSFPFSXEYVGPY-UHFFFAOYSA-N
-51F8F06B6996ED86_9D98CD7FA10709CA_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O)C=CC=C4,LTHQSLRSALZSDZ-UHFFFAOYSA-N
-51FA06219834EE42_4A4A78738C51131C_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=C[N]2N=CC(=C2N=C3)C4CC4)(=O)=O,OROLVZUBWHPGPD-UHFFFAOYSA-N
-53FCDBF07D28BBE4_97F9BAB37678ED79_6036_UN,CC1=CC(=CS1)CN([S](C2=CC=C(C)C=C2)(=O)=O)C3CNC3,VPFOOOCJUMNHFJ-UHFFFAOYSA-N
-5501C0A6A6455596_E5189060AB986E18_6029_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=N[N]3C(=N2)N=C(C)C=C3C)(=O)=O,KKATWPGAERCFLY-UHFFFAOYSA-N
-564BED56E88E3A1A_28FE82E9D767A12C_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3(CC3)C4=CC=CC=C4,KELMCAOMMHNILA-UHFFFAOYSA-N
-57754890DA6E0BF6_07825995C153D353_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=C(OC)C=C3)OC(F)F)(=O)=O,MFAGGPVUSQSGMN-UHFFFAOYSA-N
-57FA51AE09EFBEC9_9868D333FF7F3D73_6041_UN,OC(=O)C1=CSC(=C1)NC2=C(C)C=CC(=C2)N3CCOC3=O,DZCBNVYVUORVDF-UHFFFAOYSA-N
-58159D547E6092CE_75AB771EBC2FF344_6038_UN,N(CC1=CC=C[NH]1)C(C(C)(C)CN2C(=O)C=CC2=O)=O,RKZZDOPIGSXJJO-UHFFFAOYSA-N
-58DED0F15631FB15_669792278E274675_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(C)(C)C#C,JOVMOZDRUJPELC-UHFFFAOYSA-N
-5B7A27608349DD50_71059E32E7F32B4F_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4,VLUZPOIFQUOBBS-UHFFFAOYSA-N
-5DFB9146EFD50CB1_26C35E7A4320F743_6041_UN,C1(=CC2=C(N=C1)OCCC2)NC3=CC(=C(C=C3)F)[S](N(C)C)(=O)=O,OPNZDXLFSVZIHK-UHFFFAOYSA-N
-5EE4C7A1CBECF9D8_ED77A5E01E231761_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,CPVMZTFRABUGIN-UHFFFAOYSA-N
-5FAF95A85333D629_0CF0840B7C3B0B91_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCC3)CC4=C([N](=O)=O)C=CC=C4F,SRLRWOTWIIDQDG-UHFFFAOYSA-N
-5FF0E10B7731498E_7B32DE8DBC20F7C2_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CC=C(O)C=C3,KVNDNQFUJKSNAD-UHFFFAOYSA-N
-647EB275C4CE7D32_CD9AAA92C683FA4E_6035_UN,CC(OC1=NC=C(C=C1)[S](=O)(=O)F)C2=C(C=CC=C2)N3CCN(C)CC3,KUNPRMPDXYYSBZ-UHFFFAOYSA-N
-659A15899AE7954F_518300FD1D3572FA_6038_UN,CC1=C(C=C(C=C1)CNC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,XWCDJLJIYHHIJV-UHFFFAOYSA-N
-676A2BFA8F2639FE_A5F930390CBD3431_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,QTZLZIJFSHSGDJ-UHFFFAOYSA-N
-6921BF2CC15BA4F2_B01206C024EEA5A2_7017_UN,CC1=C(C=CC(=C1C)[S](=O)(=O)N3CCN(C2=C(C=C(CN)C=N2)F)CC3)Br,KZAXLURJQFZSDV-UHFFFAOYSA-N
-695B8CC68A9901D6_83189F93F684016F_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCCN(C2=NC=C(F)C=C2)CC3,MNMCLLYCIQHBNQ-UHFFFAOYSA-N
-6BED1D68C33B55B1_C43548CE3B6A1CC4_6029_UN,C1CN(CCN(C1)[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=CC=NC=C3,QIZFAUXIWKWMDF-UHFFFAOYSA-N
-6C08961487AB0E38_73D4486B0BBA21DD_6029_UN,N(C1=CC(=CC=C1)B(O)O)[S](C2=N[N]3C(=N2)N=C(C)C=C3C)(=O)=O,VSSDAMYYHRJPFU-UHFFFAOYSA-N
-6F03BA4B0EA090F3_CB75D889F339C464_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C2=N[N]3C(=N2)N=C(C)C=C3C)=O,MALPQZAUDIVCOR-UHFFFAOYSA-N
-7005DE9DA1A8AA02_95EF5A38E2E34CA8_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)C(C3=C[N](C)N=C3)CC(CC4)N,PLGGQOMVPINJMD-UHFFFAOYSA-N
-71C0ABFD640D690C_678731C462C8E52D_6029_UN,CC1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C4=CC(=C(C=C4)C)C,VXEGXCDCUXBBDW-UHFFFAOYSA-N
-71E8EEEEF14C3362_C050B273DB054AF0_6029_UN,N(C1=CN=C(C=C1)C#N)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O,PWVCGZNUPXUYMZ-UHFFFAOYSA-N
-723A2F09157E0A5B_789669ADEDC35331_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(C3=C(C=C(C)C=C3)C)CC4,CVOYXFJIMYEKDQ-UHFFFAOYSA-N
-73148E2506EA9DAF_779211D5B767D40F_7017_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Br)CC3)Br,RKVSKLVDCCLRPJ-UHFFFAOYSA-N
-733B3F451C58B6F4_5A3C4213A56BB430_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4)Cl,SLALPZHFLQXNLZ-UHFFFAOYSA-N
-7379932C6509A574_8E06015BB45E6C5A_6041_DP,OC1=CC=C(C=C1)NC3=CC=C(SC2=CC=C(OC)C=C2)C=C3,YWXXYESNCHSLTG-UHFFFAOYSA-N
-73DDA10724D2DA73_D46242F609DBF7B0_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,KGLJEVDPBAXODA-UHFFFAOYSA-N
-7877E7AD83C42AFF_847ECB9D589A4BD8_6041_UN,COC1=CC(=CC(=C1)OC)C2=NN=C(O2)NC(C)=C(C#N)C(=O)O,YWVYVFXWGMNWGC-UHFFFAOYSA-N
-787B6155F891ABFB_7E512236058FA542_6039_UN,CC2=CN1C(=NCC(C1)OCCCC[S](=O)(=O)Cl)C=C2,BQQICQFCBHSFAJ-UHFFFAOYSA-N
-7E72C17D2D6F64B5_AF3FDCBD94943645_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(CC(C)(C)C)C=C3)(=O)=O,YIWCYEIPWDJCOJ-UHFFFAOYSA-N
-80671CB8AC4D6B09_0213CB57E7339717_6028_UN,C1C=C(CN1[S](C2=CC(=C(OC)C=C2)Br)(=O)=O)C3=CC=CC=C3,IWNIYZIUPVXWCX-UHFFFAOYSA-N
-81002FD9965211F0_F3732049A6AB5373_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)C(F)F)(=O)=O)C=CC=C4,ORLFIJVVURCZON-UHFFFAOYSA-N
-814634DB5B32BF60_14B3A6325A8B2DA0_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(N)C=C3)CC4,QDLBVHZICOUASN-UHFFFAOYSA-N
-829A7BEF8B59E69C_FD45274B4373DD73_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O,NAGRCZGPTJNZEL-UHFFFAOYSA-N
-841231071D4AFDF5_EFE24C5191758C5F_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NC(=C(C)[NH]3)C4=CC=CC=C4)(=O)=O,PMBVKQAIPLDDPJ-UHFFFAOYSA-N
-84B40AA0FBF39490_571FEB7616DF1833_6038_DP,N(C1=C(C=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,XRBWIRGSGWOMNL-UHFFFAOYSA-N
-8506BB0B8CB66660_BFF934ABC2CDE3CD_6035_UN,CN2C(=C(COC1=C(C=C(C(C)(C)C)C=C1)B(O)O)C[N]3N=NN=C23)C,UUBAYKLNGZBCQE-UHFFFAOYSA-N
-870C1B3EDDAF92FD_A2D5D30B440F7688_7019_UN,C(CN1C(=O)OC2=C1C=CC=C2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,SQOXCJDEVSWURL-UHFFFAOYSA-N
-8775C28AF9B32B8D_17C14DFCB02CE21F_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC(=C(C(C)C)C=C3)C)(=O)=O)C=CC=C4,IWXCTNPQOGUVPI-UHFFFAOYSA-N
-88C92D95F9A14AD2_F7E9D24F006261B0_7019_UN,OC3(CC1CC(=NO1)C=CC2=C(C=C([N](=O)=O)C=C2)F)COC3,IIUCCEYGFNRCPR-UHFFFAOYSA-N
-89036D94C405C89D_3644BB57642AF0D2_6041_UN,FC1=CC(=C(C=C1)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F,WGLDKKJUWJVMPJ-UHFFFAOYSA-N
-8969432520F8DB41_72555CC5A94EFBBF_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC(=C(C=C3)N)C)CC4,ORMADQRKMGRPIT-UHFFFAOYSA-N
-8CB75CF0050E49A5_8DCF30AE0240E679_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,BLDAAZCUZMYHNW-UHFFFAOYSA-N
-8E3478793D8C2407_9B699A0ECBC0AD44_6029_UN,FC1=CCCN(C1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,WCYOQBMJOVDZSP-UHFFFAOYSA-N
-8FAAEC153B44677E_040EDB20EA15E994_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)Cl,NMRWRRWGNPDKQL-UHFFFAOYSA-N
-8FDCF796D54C4E78_8EB81EF0E1FE7BE5_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Br,GXDYACOPPDDSFJ-UHFFFAOYSA-N
-90E80F08AE2B07BA_B366AA9A44F24A3D_6041_UN,SC2=NN=C(C1=CC=CS1)[N]2C3=CC=C(C=C3)NC4(C)C(OCC4)=O,VLMWLNASHOIHSQ-UHFFFAOYSA-N
-91B49230F96E04BC_D0CCB15A4D53686C_6029_UN,C1C2(C1)C5=C(CN(C2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O)C=CC=C5,GNAJULQOJNBPQF-UHFFFAOYSA-N
-93F6E9B69CAADD02_B38C0F9A92FC557B_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=N2)C(F)F)C)(=O)=O)C3=CC=NC=C3,RFWZPFAGSGFODN-UHFFFAOYSA-N
-9664104B029EC60E_9AA59E01FD95D4E6_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,VAMNIJQZVFSPGR-UHFFFAOYSA-N
-983D5A3FF7476A9F_310E4C3E710EE8DD_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,LYZQZMUTUMUBBI-UHFFFAOYSA-N
-984F087F530139D7_E28052B52FB1871D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3(C2=NN=C(C)[N]2CC3)C)=O,WSCRDJXZAPVBCF-UHFFFAOYSA-N
-98B91E85551A25AA_4639C8CE58453432_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,ZYMIGCFNQRPLHB-UHFFFAOYSA-N
-9B6962FF6E3059AE_44117CE818AE79D0_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)N4CCC(C2=NC=CC(=N2)C3=C[N](C)N=C3)CC4,JCWKLAZHIAFFNE-UHFFFAOYSA-N
-9CF405CAD200A838_57DBB4ECF96CCB47_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,AYSWJDCZBYIYBJ-UHFFFAOYSA-N
-9F066F1EFE426528_4EF89FEBBB2D1110_6041_UN,O=[N](=O)C2=C(N=C1C=CC=CC1=C2)NC3=C(CCC3(C)C)C#N,SPBZEKGRRRIGSZ-UHFFFAOYSA-N
-A361F3A2468F05A8_136A9E8F867668C2_6029_UN,C1C=C(CN1[S](C2=CN=C(C#N)[NH]2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,MTDFLILURSNFPQ-UHFFFAOYSA-N
-A76269385B89F55C_7021963DF113659E_6028_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C3=N[N]4C(=N3)N=C(C)C=C4C)(=O)=O,QWFXNDJCNYECHZ-UHFFFAOYSA-N
-A83C09A135CFCA8F_6FA2B810ED41FAED_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,WQHKLPKKHHQMMY-UHFFFAOYSA-N
-A89BC4C0A3339CBB_EADD4E54BDDA6277_6029_UN,C1=CC(=N[N]1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4C=CC=CC4=CC=C5,RTRHODYYGBZISA-UHFFFAOYSA-N
-AA08F29EA114F44F_DA9772B3B6F5F6CE_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,XBVORWIJDCLSSG-UHFFFAOYSA-N
-ABCFE1F413A8A726_EBB332BF19480FD9_6029_UN,C1=CC(=C[N]1[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=NC=CC=C4,JYXHTIYQPBOCIF-UHFFFAOYSA-N
-AC1B7C5362C0CBEB_75419B8D205B6247_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,AFQFICNXNXRQIV-UHFFFAOYSA-N
-AC5CCF5CF3C253A6_7FC6235B987DA11D_6028_UN,C1C(CN1[S](C2=C(C=CC(=C2)C)C)(=O)=O)OC3=NC=CC=C3,WUVUGRUYAUXETL-UHFFFAOYSA-N
-AE86B2B7934551A0_A251E5EAA75303E0_6039_UN,CC2=CN1C(=NCC(C1)OCCCCC[S](Cl)(=O)=O)C=C2,QHUOGTYXMRHCQU-UHFFFAOYSA-N
-AF0DBE370D890DC5_2DC3B5800BF2049F_6029_DP,N1CC(=C(C1)C#N)N[S](C2=CC=C(C=C2)OC3=CC=CC=C3)(=O)=O,ZNUYKRJEWXHHIX-UHFFFAOYSA-N
-AFB95E2A74937AFD_DA84AD939A4D0EF8_6039_UN,C[S](=O)(=O)CC(OCC1CN=C(O1)C2CC2)C3=CC=CC=C3,KGWLPZJHDJLHNE-UHFFFAOYSA-N
-B10F092FE5D755FD_DA492F705D35B94E_7022_DP,C1(=CC=C(C=C1)OC2=CC=CC=C2)OC3=C(C(O)=O)C=CC=C3,GFPBQFJXNMDZEP-UHFFFAOYSA-N
-B14A756AF770040E_0B2878DB3216AAD4_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,LICKJHJVUSQAKB-UHFFFAOYSA-N
-B1E2DE2233B749EC_F8E5AEA75BE96002_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,CQXSZBSMUIJRNQ-UHFFFAOYSA-N
-B21448ACF2D1A4FF_2EACB39B6C4FD26B_6041_UN,C1(=N[NH]C=C1C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,QHGCWEBLKSUGGY-RYUDHWBXSA-N
-B289CA9E67C54BE8_D8EE29EA4E46A9E4_2201_UN,CC3CSC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VLWFLXPZYGQEMO-UHFFFAOYSA-N
-B508CFCE7783EFDE_52DBEF10E3AE1178_6038_UN,CN(C)C1=CC(=CC(=C1)NC(C2=NN(C)C(CC2)=O)=O)F,JJGFRWPEXINWHM-UHFFFAOYSA-N
-B636C38A59C9F8CF_BD4E6C0383D0D9B5_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C(N(C)C)=O)=O,VIPWCOOPGNWXQM-UHFFFAOYSA-N
-B649158595CBC429_782B8285F25F8C73_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C4=C3N=C(C)C=C([N]3N=C4)C)(=O)=O,JDTWYLRYUDOJGW-UHFFFAOYSA-N
-B7BA9DE1797EAFAD_96C4DA49750E5ED4_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C4=C3CCCC3=CC(=C4)Cl)(=O)=O,CTAPKUFBXLOXFD-UHFFFAOYSA-N
-B7F11EF4B18AFFCC_1FDFD915E1EE3D39_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3(CC3)C4=CC=CC=C4,UYDFTCRJAYPHLF-UHFFFAOYSA-N
-B810F6166FBECF6F_0F304E987DCE24DB_6028_UN,C1C=C(CN1[S](C2=C(OC)C=CC(=C2)Br)(=O)=O)C3=CC=CC=C3,HINDHGQMJCHEEW-UHFFFAOYSA-N
-B903A75F5A39D06B_37E2725041E60B8C_6029_UN,C1C2(C1)C5=C(CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O)C=CC=C5,IHLHHVZZTNNEFE-UHFFFAOYSA-N
-BC108971468E6EF1_95C3D324D3A81F55_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,CXQWAJUVRYTSCK-UHFFFAOYSA-N
-BC98B3B2D99855E3_4DA531649EA33BFE_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C(C)C)C=C3)C)(=O)=O)C=CC=C4,VKSIYPFFYIAWPS-UHFFFAOYSA-N
-BD6D0E4E34F4FE32_12D1DFEE770B1C0E_6038_UN,C[C@@H](OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CCCC#C,YUFWKFKPMHZGGU-LLVKDONJSA-N
-BE7233C999D83D3E_F8D2A5E3CC5AE210_6028_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=N[N]4C(=N3)N=C(C)C(=C4C)C)(=O)=O,UOQOMZYIDDIOFB-UHFFFAOYSA-N
-BEA9CA4F8144E021_0C101742F60839CC_6038_UN,CC(NC(C1=NC(=NC(=N1)N(C)C)N)=O)C2=CC3=C(C=C2)OCO3,ADCWTBVNFBOWJH-UHFFFAOYSA-N
-BFED582EB45B3AD7_025FA4A523D9FA83_6029_UN,ON(CC1=C(C=CC=C1)Cl)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,YMPOTGGJLLKWGT-UHFFFAOYSA-N
-C26484121BFE7D3E_9F528AEFFEDF55D2_6035_UN,O(C1=CC=CC=CC1=O)C2=CC(=CC(=C2)Br)C(OC)=O,SUCJERBNVXRQCZ-UHFFFAOYSA-N
-C39A50628C249270_16C9EBC53702EAC4_6029_UN,C1C=C(CN1[S](C2=CC(=C(OC)C=C2C)Cl)(=O)=O)C3=CC=CC=C3,KDYHSBKFOALXJR-UHFFFAOYSA-N
-C66C40E10F590F42_27A7837031B5CF70_6038_DP,N(C1=C(C=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,WWOMFNABXHHRCQ-UHFFFAOYSA-N
-CAB85420D7276E61_C67B3E375F40ABE0_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,NJPOOTBHDMPLMT-UHFFFAOYSA-N
-CB67F24BBF19B851_43334743E6325877_6029_UN,C1C=C(CN1[S](C2=C(OC)C=CC(=C2)Cl)(=O)=O)C3=CC=CC=C3,XMIXYILJCXBOAZ-UHFFFAOYSA-N
-CDA3782E9D46978A_6C2CB26B5A6191E1_6038_UN,CCOC1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,QDHFQHBQQLHRMC-UHFFFAOYSA-N
-CE11124CAF4EA4F1_B19E959356E29C53_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CC=C(O)C=C3,ONGGTQIKJPZJNW-UHFFFAOYSA-N
-CE9D573E0FFD8134_DAA4EE657DA9EF6D_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CC=C([N](=O)=O)C=C3)(=O)=O,BHYQMDCRRJZSFQ-UHFFFAOYSA-N
-CF5EB939C75B754E_B6C2AE190CC61F67_6029_UN,CC1=CCN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,NKOFBOSVOTVEMF-UHFFFAOYSA-N
-D16693DE482E9D16_FA4E7B564D27B98E_6029_UN,C=C1CN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,MGIUAYGKSHCHMG-UHFFFAOYSA-N
-D18FB915D85224E2_FC87748CB277F28D_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CC)C=CN=C2Cl)(=O)=O,VNVYLDNRPBSRRC-UHFFFAOYSA-N
-D1C6B016F6D729F9_642413054131DFB5_6029_UN,N(CC1=CC=C(C=C1)CCO)[S](C2=CN=CC(=C2)N3CCN(CC)CC3)(=O)=O,OYQJPTHFIBWOBS-UHFFFAOYSA-N
-D2C68382AB2ED565_4FE7B968DACF88D7_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=C(N(C)C)C=C3C)C)(=O)=O,WTZVDRMUUJYMKN-UHFFFAOYSA-N
-D5728EE2486D4E79_BB23F4674A5291FD_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CCC4,RBJYYEIPMPXBNO-UHFFFAOYSA-N
-D6905D5D7323D83F_238D849053A283E6_7019_UN,CC2=C(C=CC(OC)CC1=CC=CC=C1)C(=O)OC2=O,RZXZOVSUNWOYES-UHFFFAOYSA-N
-D836DA6557D8ADBB_31D1791530E90B2E_7022_UN,C2(=C1OCCCC1=CC=C2)OC3=C(C[S](C)(=O)=O)C=CC=C3,YCJZBUVGXHVWQG-UHFFFAOYSA-N
-D874AC772A9C559A_8BE9D828708BB3FA_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCC([N]3N=C(N)C=C3)CC4,MQJWDKHNVSVOBM-UHFFFAOYSA-N
-D8B5EE9CA07C7419_95530B6604C62BC2_6029_UN,C1C=C(CN1[S](C2=C(OC)C=C(C=C2)I)(=O)=O)C3=CC=CC=C3,SPSJGDJRSVIUMZ-UHFFFAOYSA-N
-D9558CD33A48B55A_7E0943A5BECC16C6_6034_UN,BrC1=CN=C(N(C1=O)C[C@@H](N)C2=CC=CC=C2)C3CCC3,NFICZSZLTUTRSU-CQSZACIVSA-N
-D97F0091087F9F6A_74873921F6E64820_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,YWEFTSCXVWYNCH-UHFFFAOYSA-N
-DA27BF416EF12A4C_819EB0DEE088364C_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC=C[N]2C3=C(C)C(=CC=C3)Cl)(=O)=O,UKPUOBUQPSIANY-UHFFFAOYSA-N
-DA776A4F5D4D9491_BD02D7237AB065B9_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)[C@@H]2C[C@H](C2)[N]3C=NN=C3,IFBQSFDRSUIGIA-MGCOHNPYSA-N
-DAF101CCF46AE12A_D285C11AB5727C61_6029_UN,C1C=C(CN1[S](C2=C(OC)C=CC(=C2)F)(=O)=O)C3=CC=CC=C3,GQUBAHYTTYAQCJ-UHFFFAOYSA-N
-DC9BD5BE7844556F_0DA24AE2062BAB9B_6034_UN,ClC1=CC(=C(C=C1)Cl)N2CC(=O)N(C(=O)C2)CC=C(C)C,GKGZMUDMEHFYSP-UHFFFAOYSA-N
-DCA8434F622FBB18_6B9762962F741FD5_6036_UN,C(C2=C1N=CC=CC1=CC(=C2)Br)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,QJOBCCYBNPWLJX-UHFFFAOYSA-N
-DD6FDEBB30A967E1_8CBC4CBEA6B900CD_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC=C(OCCF)C=C2)(=O)=O,DOSZYZVAWRALKP-UHFFFAOYSA-N
-DDD7AAF57FBE9F3C_0F75016215FDA1BA_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CCC4)C5=NC=CC=C5,VYCFYIFOSLAOCH-UHFFFAOYSA-N
-E0C208E017CFD37B_E7C9120B37D85232_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)N3CCC(CC2=CC(=C(C)C=C2)C)CC3,STYVSJUFTMQRKK-UHFFFAOYSA-N
-E1692503AD6ABF45_89CB27FABFEA7724_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,AJYVFQNABIVGGQ-UHFFFAOYSA-N
-E1B2E5B39152FD33_B531773396138580_7019_UN,CC2=CN1C(C=C(N=C1C=C2)C=CC3CC=CCC3C)=O,KGPXBDSAMMOMOM-UHFFFAOYSA-N
-E3C10767B822C374_1FE2734EC70D9ECA_7022_DP,C1(=CC(=CC=C1)C2=CC=CC=C2)OC3=C(C(O)=O)C=CC=C3,YRWDJTKHYLJJFW-UHFFFAOYSA-N
-E4828E50F0303C72_39AC343E2548D5D5_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,DHWCDQISQKWTOY-UHFFFAOYSA-N
-E536DDF4A3259E9C_3B5CD4B632A3665A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=C(C=C3)C4CC4,MUXXFTLCOPWCBQ-UHFFFAOYSA-N
-E69B6EF5AF4BCACA_0529F41915976222_6029_UN,C1=CC(=N[N]1[S](C2=CC(=CC=C2)N3CCCCC3)(=O)=O)C5=C4C=CC=CC4=CC=C5,REYJFBGKVMYSBZ-UHFFFAOYSA-N
-E6CF4FACBFBF245C_0A04A6A0D527CAD5_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NC2=C(C)C=CC(=C2)N3CCOC3=O,BOSSULFINZHSSF-UHFFFAOYSA-N
-E713A2C188FE4539_AB928019BBB24C9F_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O)C=CC=C4,HUDGVLBZMDTAEB-UHFFFAOYSA-N
-E7E71F4CBE23800C_25340B0ACD6451ED_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3)C)CC4,LQEJOUSOUCHHBZ-UHFFFAOYSA-N
-E98BA9E8C0590F39_61D33CF37DF28D4A_6038_UN,CC1=C(C=C(C(=C1)OC(=O)C2=CC=CN3C2=NCC3)[N](=O)=O)[S](=O)(=O)Cl,XLBQLBQGCUUJCV-UHFFFAOYSA-N
-EBE67966B90EB029_3F91E637C682EC3C_7022_DP,C1(=CC=C(C=C1)C2=CC=CC=C2)OC3=C(C(O)=O)C=CC=C3,WHLVIFDSFJDPBY-UHFFFAOYSA-N
-EC5D27D996F8FD74_5B41C968141EF11B_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C4=CN=C(S4)N5CCCC5)(=O)=O,XWJMBJFUEAMQHP-UHFFFAOYSA-N
-EC85BABD237D0C09_C8E965DCAA20B6B6_6041_UN,C3(=C1C=CC=C2CCC(=C12)C=C3)NC5=C(C[S](C)(=O)=O)C=C4OCCOC4=C5,FLVIFZRBAHCSJP-UHFFFAOYSA-N
-ECEE00DC02ACFFDC_BF0A8EAE938C96BF_6029_UN,N(C1=CCOC1=O)[S](C2=CC=CC(=C2OC3CC3)F)(=O)=O,VKFKQTSLKWKQAF-UHFFFAOYSA-N
-EE8276B0761D9D10_C5DBEE990F2C0EC4_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O)C=CC=C4,JCFJZPAUUCWDTE-UHFFFAOYSA-N
-EF8608ACAAF0ED1C_2A35CA50F189251B_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H]3COC[C@H]3N(C)C,OYJINNAORUXWKP-DGCLKSJQSA-N
-F15DB13A4CBCDE96_B5B190D5A6C700F4_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C=CC=C3)C4CC4,GGEQYVZOGKZGCE-UHFFFAOYSA-N
-F1B00FB20E01FC41_4A307A5147B68F4E_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4,OTBADMJYUXBGFK-UHFFFAOYSA-N
-F2002EB4D81E0F00_9FF1E3214D2B50EC_6029_UN,CC1CN(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=CC=NC=C3,KNHUCGLRNDHHHI-UHFFFAOYSA-N
-F6080F8411759505_39194FFF731B3205_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C=CC=C3,XZSQMKUEZPRTBX-UHFFFAOYSA-N
-F60C3F4B5EE90790_C984ECB12FA43C9A_7019_UN,C(C1=CNC(=O)C2=C1C=CC=C2)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,VKPQECXVESYFIN-UHFFFAOYSA-N
-F80C47E38331904A_62334112E3375CEB_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,MAAFPXJETOFHPB-UHFFFAOYSA-N
-F8F0AF7A4BDB5C1C_777C4B28ACCFDD7F_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CN=C(OCCN(C)C)C=C3)(=O)=O,PRWVYWXKLTUCJS-UHFFFAOYSA-N
-F99828C7534F5523_181C531BE7A0FDC7_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=CC=C(O)C=C3,WQBGVINYDFULKK-UHFFFAOYSA-N
-FC95F90C9FCF93ED_D9E9563DD0FAC5C4_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,GKTQNMKJPQVDTK-UHFFFAOYSA-N
-FCC01DB41CC21697_6989D4285623DF03_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)I,LLAYEKRDJWUMQJ-UHFFFAOYSA-N
-FD5DE05A2C70BF25_0DF99BBEC9723926_6036_UN,C(C1=CC(=CC=C1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,DBIVJWDIWWPODP-UHFFFAOYSA-N
-FD78B53D02FFDD7C_20F6D56D988D2CBE_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C3CCCC3=CC(=C4)Cl)(=O)=O,SCJQLGODAFZCGK-UHFFFAOYSA-N
-FE94B743D7203760_15187AAD5AAEF8FC_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,ZDINYAOZYZEDRN-UHFFFAOYSA-N
-034BFA3B1797205D_5C6BB8EEB776D332_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4,IUBCFBPKPARACG-UHFFFAOYSA-N
-03CE2FB48E82E48E_D6ECA36B472D6F62_6038_UN,N(C1=CC(=C(C=C1)[N]2C=NN=N2)F)C(C3=CC(=NC(=C3C#N)SC)C4CC4)=O,KDQYCCQPRZUOAN-UHFFFAOYSA-N
-03FEB22F03B448EE_709A943D59844139_6029_UN,COCC(N[S](C1=CC=C(C(OC)=O)[NH]1)(=O)=O)(COC)COC,KXISTIZZJOHADC-UHFFFAOYSA-N
-05F918606754084F_DBEB0D972C94CDB2_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C([C@H]3C[C@H]3C4=NC(=NO4)COC)=O,PUTLSNKHIHLYOO-WDEREUQCSA-N
-06B05ED602B20AAD_118D5F8DEF947BD1_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4)Cl,YMQHNVUGAAIRGY-UHFFFAOYSA-N
-07BE57989D773C28_82C0322C9B22044B_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCCC4)C)C5CC5,NXGYFWUAJZHYMT-UHFFFAOYSA-N
-09853E8725D6A219_83E6D741C888C7DF_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)NCC(C2=C[N](C)C=N2)N3CCCC3,WXEMPAYLCNXITQ-UHFFFAOYSA-N
-0A6401F91979380A_23C42FA40878D3BE_6027_UN,C1CN(CCN1[S](=O)(=O)C3=C2N=C[NH]C2=NC=N3)C4=NC(=CS4)C5=CC=CS5,IJWQLRYYZZBDFX-UHFFFAOYSA-N
-0A6401F91979380A_23C42FA40878D3BE_7015_UN,C1CN(CCN1[S](=O)(=O)C3=C2N=C[NH]C2=NC=N3)C4=NC(=CS4)C5=CC=CS5,IJWQLRYYZZBDFX-UHFFFAOYSA-N
-0A76A88A80C57672_433940D1E3AB828A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,AJORNXWNUYCSPU-UHFFFAOYSA-N
-0AF61161DD6816D4_67ADD4F4A2A83804_6029_UN,CC1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NC(=CC=C4)C,UNGAIVOMWVHZSV-UHFFFAOYSA-N
-0C3E1ACA4DF399FC_594F5D7AE304AA09_6029_UN,C2CC1=C(C=CC=C1)CCN2[S](C3=C(N=CC=C3)C4=NC=CC=C4)(=O)=O,VHJLBFRHTMWDSS-UHFFFAOYSA-N
-0E7C525871AF0802_028C6F4CD55065C1_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,AASKDJAMLQMWBC-UHFFFAOYSA-N
-0FBA6B0351B9AFBB_14977A40BCDFE674_6036_UN,CC1=C(C=CC(=C1)[N]2C=CN=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,FSTWZSWVMSUWNU-UHFFFAOYSA-N
-0FF3706C2EF3D51B_A1E6B8F88151C232_6038_UN,N(CC1=CC(=C(N=C1)N2CCOCC2)F)C(C(N(C)C)C3=CSC=N3)=O,QIGPKFDMVVNRQJ-UHFFFAOYSA-N
-12BA1C2E73B9B3A0_63AD3B1100E5F0AA_6038_DP,CNCCOC1=CC(=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,INZNDIPTLCWGDY-UHFFFAOYSA-N
-1382E56477F7E951_DDB053AB31EEB39F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)[C@H](O)C4CC4,GUBFQRCSQSBZPI-MRXNPFEDSA-N
-1409F389F99BD1FD_C1AB7CE3A7C45D82_6041_UN,CC2=NC=C1C(=C(C=CC1=C2)F)NC3=C(N(C)C)N=C(N=C3)N4CCOCC4,FWZQMBCCTKEFOJ-UHFFFAOYSA-N
-1409FDBA17895912_F4C2794B3068D905_6036_UN,C(CCCCCF)N([S](C1=CC=CC(=C1)N)(=O)=O)C2=NCCC2,CLPDTXBEKXIFBE-UHFFFAOYSA-N
-156199D0DADBF3BD_54D2AA5E1E7347D1_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,XCDRACBIWKORQZ-UHFFFAOYSA-N
-1686F6F07F5D9967_541EF2A1AD83A65D_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C[N]2N=NN=C2C3CC3,NTYXHSMLGKSABU-UHFFFAOYSA-N
-17FDF59E41029AF1_713575D4AA41D414_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(N=CC(=C2)O)F)(=O)=O,DGYZIXZKKCBHGA-UHFFFAOYSA-N
-19697442F1AD6C90_8B042ABB2C2B1ACB_6038_UN,N(C1=CC(=CC=C1)C2=N[NH]N=C2)C([C@]34C[C@@H](OC)[C@H]3C4)=O,RENNYEBPDOLIKV-UXIGCNINSA-N
-19A959F2B8DAEC58_4341C25852F4A411_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=CC(=C2)COC)=O,UUQUVEGSDMOUOD-UHFFFAOYSA-N
-1A817E6440945FEA_E7E107834F7D7D69_6041_UN,O[S](=O)C1=CC(=CC=C1)NC(C)(C)C2=N[NH]C(=N2)C3=CC=CS3,QCPUKSGJBFYNDK-UHFFFAOYSA-N
-1B350F6E7F95F8A4_4BE1149ED3EEAD68_6038_UN,N(CC1=CC(=C(C(=C1)F)N2CCOCC2)F)C(C(N(C)C)C3=CSC=N3)=O,IHJFLDIQSDNCBH-UHFFFAOYSA-N
-1E8A8DA04352860B_6D30E15C409A2D1B_6026_UN,[S](=O)(=O)(C1=C(C=CS1)C2CC2)NCC3=C(C=CC=C3)[N]4C=CC=N4,XXNBZLRHBZCMQH-UHFFFAOYSA-N
-1FCE4204063364E4_7F21BD1144DBD03D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)C=NC=C3OC,LKMIYBASKQDXER-UHFFFAOYSA-N
-200F35890AFB7670_3790244DE69C05E4_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CO)C=CC(=N2)F)(=O)=O,GZLJZMJKPRKPSI-UHFFFAOYSA-N
-234539AEAB310E4D_DE819D91EB32D8AF_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=NC(=CC(=N3)OC)OC,LMAIAPCJYCUPCX-UHFFFAOYSA-N
-28488204D6A8349C_AE8AA27899D7AA04_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC(=O)O)C(=O)O,ULFICTIYGRVUQJ-VIFPVBQESA-N
-28AF1FB56E6D54A5_62774A01A16175A4_6031_UN,CC[N]1N=C(C)C(=C1C)C2=N[NH]C(=C2)C(=O)OC[C@H](C)N(C)C3=C(C=CC=N3)F,XHNOJLGLTUEROX-LBPRGKRZSA-N
-29EADFBDEAAD2408_8C22CC9FB88135E7_6004_DP,C1(=C(C=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=C(O)C=C3,YLWAOUBSKRXACR-UHFFFAOYSA-N
-2ACA7D78FFCE2FBE_4A1034F4EC050B67_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,YDAMKSVRIMYVEW-ZDUSSCGKSA-N
-2D15B1354596A4E1_936785848A691FA4_6036_UN,C(CC1=CN=C(C=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,SLOAKBUTHGULAQ-UHFFFAOYSA-N
-2DB300D3CD6455C6_EE44C38A1362DC52_6038_UN,NC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CN3CCCN=C23)[N](=O)=O,BNTJZWKIIAWISO-UHFFFAOYSA-N
-2E34DE2340046671_0CDDB8DB3E2387B0_6026_UN,CC1=CC(=C(C)O1)[S](=O)(=O)N3CCC(C2=CN=C(C)C=C2)CC3,QDODPANAECQKAU-UHFFFAOYSA-N
-2E7A348CBE903DC1_B8138E6C66C41F96_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=C(SN=N2)NC3=C(CCC3(C)C)C#N,GLSCKJZHTVNFOJ-UHFFFAOYSA-N
-320D1F576A6AFF07_2C95B26F56678265_6041_UN,OC(=O)CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,HGKYMFZGPRPAKE-UHFFFAOYSA-N
-321309DC5B8A954A_39A3CB6DD3B914CB_6029_DP,OC1=C(C=CC(=C1)F)N[S](C2=C(C)C=C(N=C2)C3CC3)(=O)=O,OICZBDYIKGCOPJ-UHFFFAOYSA-N
-325A775712FFEC8D_84503A66993CC3A5_6041_UN,OC(=O)C1=C(C=C(C(=C1)F)NC3=C(C[S](C)(=O)=O)C=C2OCCOC2=C3)F,AOOFPEGOIGBBDB-UHFFFAOYSA-N
-340099D626996D0B_872A7C42F028EEA9_6029_UN,C1CN(CCN1[S](C2=C(C(C)CO)C=CN=C2)(=O)=O)C3=NN=CC=C3,IPDZHEBGKDRADX-UHFFFAOYSA-N
-34BC0C62F73422FD_A61004A37A0C05BF_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Br,IPYNRSURIGAQND-UHFFFAOYSA-N
-359E3C6DDA64E9C9_2A81D1C4CF62A5DA_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,OIOFTUAOVUIWAB-UHFFFAOYSA-N
-35CDB90361FFCC66_588713A040E56794_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(=CC3=C(F)C=CC=C3)CC4,FREGVUAKZDZUKU-UHFFFAOYSA-N
-37AFB76A4753110F_9412966D80052CE7_6029_UN,C1CN(CCN1[S](C2=C(O)C(=CC(=C2)C#N)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DKFLMAWYXSSFOK-UHFFFAOYSA-N
-37D0D0C203B5671C_5F3EEA4273C3C7C0_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,BSBAXMDGQPHZDY-UHFFFAOYSA-N
-395518D6A9EAAD74_833BB906A0FD2CC6_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,SCYMCKIMXWUZGS-UHFFFAOYSA-N
-3A6C1311F6541599_CE881F8C44E38A54_6038_UN,C[N]1N=CN=C1C2=CC=C(C=C2)OC(C3=N[N](C)C(=C3)C4CC4)=O,FBHHBPQPBOGYNB-UHFFFAOYSA-N
-3EE70EADA1D325B3_EEEAF0D158D8D8CD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,BIESPQUCLMNQFT-UHFFFAOYSA-N
-3F640EB7729D0FCE_6160EEDEB876170F_6038_UN,O(C1=CC(=CC=C1)OCC#C)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,DACMDGQTADFSRC-UHFFFAOYSA-N
-4058E681DD5D7944_0C7B140DDC382264_7019_DP,O[C@H]3C[C@@H](C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)C3,FBNXFSPMVYTMLV-MAEOIBBWSA-N
-4058E681DD5D7944_1C2196C91F9EE330_7019_UN,O[C@H]3C[C@@H](C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)C3,FBNXFSPMVYTMLV-MAEOIBBWSA-N
-40C873F01387B5FC_655882098D0CE653_6029_UN,C1C=C(CN1[S](C3=CC2=C(O)C=CC=C2C=C3)(=O)=O)C4=CC=CC=C4,JCBXMZGNXCIZJD-UHFFFAOYSA-N
-40F4907395804F73_DA89FDD84EABD738_6038_UN,CC(C)COC1=NC=C(C=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HLJZOPLBYJOMNU-UHFFFAOYSA-N
-422F9A3B5C28B7E5_1A50CC62A057A36E_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C3=CN=C(Cl)C=C3)(=O)=O)C4CC4,LXHTZENLNSNHNK-UHFFFAOYSA-N
-43AFC2189E9F0BAE_F27FD4BB214BED29_6034_UN,O=C(C1=CC=CS1)C2=NN=CN2CC3(C(OC)=O)CC=CC3,NVRDUGYJFKOWDH-UHFFFAOYSA-N
-44351044E47DBAE3_7CBE7A41B67C33B3_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(C)C=C(S4)[S](=O)(=O)Cl)(=O)=O,BMDJGOJNHBVADY-UHFFFAOYSA-N
-44C06B4579E78D9C_2906EDEE306B02FD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,PAXWHMRCXMPSQQ-UHFFFAOYSA-N
-45278C1BBF668E7A_DEDDFB12256E3D7F_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,RCGBBMTZCKUXOF-UHFFFAOYSA-N
-4585D92C0D60BA5E_3A77CCC96BA7503D_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=NC=CC=N3,MKKAKJXDABISEJ-UHFFFAOYSA-N
-47F4066E62EFE3E8_746492815E1FFA89_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(N=C2)N=[N]#N)(=O)=O,YTKCQKPFFQCRCI-UHFFFAOYSA-N
-48F3DCFE21C08AAE_C464E32A2D8DEA60_6035_UN,CCC(=C(N=O)C(=O)OC)OC1=C(C(C)=O)N=CC=C1,VFGAQIMOFQPGJK-UHFFFAOYSA-N
-49898485107C2B48_097B8A831593638A_6041_UN,C1(=C[NH]N=C1C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,NWNZUABIFIWESI-QWRGUYRKSA-N
-49BBC36DEC4D3953_5E70109DFB621297_6036_UN,CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,DQYGTUFZAGZTQN-UHFFFAOYSA-N
-4AD3A57295397437_1E679FA6968822F0_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3CCOCC3C4=CC=C(F)C=C4,NASDMWAXWVQNCV-UHFFFAOYSA-N
-4DEFB486EE4E32C7_72163BF4DEA32235_6029_UN,C[N]1C=CC=C1C2=N[N](C(=C2)C(=O)O)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O,YEBJTDKZYQYXBD-UHFFFAOYSA-N
-4E003E5D5019840F_37825CAB07FDF84F_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(CC)N=C(C=C3)OC,SBOAHIKVTFNGMZ-UHFFFAOYSA-N
-4E2ED6D35FD37B1A_457502BBE12CDE76_6038_UN,CCC2=CN=C(COC(C(C(C)C)N1C(=O)C=CC1=O)=O)S2,FPZHLFOOYWRQEN-UHFFFAOYSA-N
-4EF7317496BC408D_D52282D89ABCE9D9_6034_UN,CCN1C=C(C#N)C(=O)N(C1=O)CC2CNC(=NO2)C3=CC=CC=C3,MHUQAIUOTWYCRK-UHFFFAOYSA-N
-5809ADCAE7532FF3_70AFDB8A42353D9A_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,TWUXWOIHGLTABL-UHFFFAOYSA-N
-611393B9CC411B6E_90B535763FEB9AC0_6038_UN,CC1=C(C=CC(=C1)[N]2C=CN=C2)COC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,OLICPOLCBUYRKR-UHFFFAOYSA-N
-61AEE8B4DD5EBC04_9892B4DF20507250_6038_UN,OB(O)C1=CC5=C(C=C1)C=C(OC(C4=C(C2=NN=C3[N]2N=C(C)C=C3)C=CC=C4)=O)C=C5,MPSAEEHWFGAUJN-UHFFFAOYSA-N
-61DCC1577EF87B55_7433DA098B97EAD8_6038_UN,CC(C)C(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC#N,TWUBYJXTDQNMTE-UHFFFAOYSA-N
-6575352C9015F800_A5FF30A6F8CC3E89_6038_UN,N(CCN1C(C=CC(=C1)Br)=O)C(CN2C(C=C(C)C2=O)=O)=O,CUCKFQNHZRNIHG-UHFFFAOYSA-N
-662BDE75AB705A26_825F1A7C33A847EA_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CC4,ORPDCELUWYJVBA-UHFFFAOYSA-N
-69F85216F45B6173_DE1E8452929DA5F2_6038_UN,CN(C)C1=CC(=CC(=C1)NC(=O)[C@@H]2C[C@H](C2)[N]3C=NN=C3)F,VOWJXJHSGPTZQB-YPFXGUDJSA-N
-6C2E993C4EFCC746_A3C76D0D2D62547D_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCC(C4=NC3=CC=CC(=C3O4)C)CC5,PHXNPZWTIUYBHC-UHFFFAOYSA-N
-6E5C72B1A3ED19AA_98DF624111DC7184_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N5CCC3(C4=C(CO3)C=CN=C4)CC5,KWZPNHVKBHKKEW-UHFFFAOYSA-N
-6F74927FE69D5822_D9253A47B87822C6_6031_UN,CN(C)C1=C(C=C(C=N1)C(=O)OCCCNC(=C2N=CC=CC2=O)O)Cl,JFAZPYOTNIAIGO-UHFFFAOYSA-N
-7000444791B74287_B160C7EBF4BDE268_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(Cl)C=CC=N3)CC4,GZOSTJJTYVMOGB-UHFFFAOYSA-N
-70EE8497389202E5_04E15CB8B9D06D95_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)NCC4=C(CN3CCN(C)CC3)C=CC=C4,NWZXIJRQZSMNFY-UHFFFAOYSA-N
-7241A68D21BDB04B_A2D9BC9E68E52160_6029_UN,OC1=C(C=CC=C1)C2=CCCN(C2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,GVSZMXJLAOKIBA-UHFFFAOYSA-N
-7371639722F38C56_3E7B2929832A531E_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,SRTIWRUPTRLMAV-UHFFFAOYSA-N
-73CBA5E254B5D67E_15C635A477FC8133_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCN(C3=NN=C(Cl)C=C3)CC4,DTDRCDVBMSWYOS-UHFFFAOYSA-N
-763FA213AFF11458_4E491B68572D104F_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4)Br,JZSYJNITBWWXMQ-UHFFFAOYSA-N
-77194404CC018945_F67E67B996B222AD_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCCN(C)C3CC3,UWMQFQMHCJFBGA-UHFFFAOYSA-N
-7935ABC5512CDF5B_C3D0500EBA3C2DAB_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCCC4)C)C5CC5,VEONZQGTCONWJK-UHFFFAOYSA-N
-7946875694410643_C80C2D6D0A9696E5_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C,ZDHZHRCEYRSEFW-LSDHHAIUSA-N
-7955F72A978809A9_B5C0DEED134EEC0D_6036_UN,C(C1=C(C(=NC=C1)F)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,DFOOUYHWORTSRI-UHFFFAOYSA-N
-7AF5AD9CA622AF67_5DA618E937FAE75F_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C[N]3C)CC4,RSZVCBKTOCMJLR-UHFFFAOYSA-N
-7AF7E26D4C33F7F1_0A875FA1A275005B_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=NC=CS4,HGGCVHUMMZQJQL-UHFFFAOYSA-N
-7B14E4E26AB46E48_B3EA23BD0C96EDDD_6038_UN,NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CN3CCCN=C23)[N](=O)=O,ZYRUQAWETYFUFV-UHFFFAOYSA-N
-7B454B1E04622ECA_A0F3B11569D5B012_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,VSOFELLJLBOQRQ-UHFFFAOYSA-N
-7CB274760F90080A_B07895F5808E2A4F_6041_UN,CC1=NC(=C(C(=C1)C)F)NC3=C(C=C(N2CCN(C)CC2)C=C3)C,DDNHUKBPGFEXNE-UHFFFAOYSA-N
-7D5B35F8C84D9A53_FED1FDFAAA53EC05_6036_UN,C(C1=CC(=CC=C1)C2=CN=C(C=C2)C#N)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,VJNKTSSJQDIICH-UHFFFAOYSA-N
-7EB30E51557B802B_AD851A53A8DD097A_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=NN=CC=N5,BUVKQRYYYKWDCB-UHFFFAOYSA-N
-7F6AAD218155B146_0E3AFED655DA17A8_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4,SSCZZLRHDPESLJ-UHFFFAOYSA-N
-81CF4D9193AAAAAC_F0D5E876C2460523_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(Cl)C=CC=N3)CC4,MSUJWNADQJZTSY-UHFFFAOYSA-N
-825E8BAE1D19B1F9_DA323F0CA1103865_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,TWSHZCIANSRAHJ-UHFFFAOYSA-N
-82F4A5E1CFADF166_8D8DBD761C117087_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=CC2=NC=CC(=C2N=C3)Cl)(=O)=O,WNMJBWRLSLQWFO-UHFFFAOYSA-N
-83D07FC8322EEB56_B343B1CF666ECDC3_6041_UN,O[S](=O)C1=C(N=C(C=C1)NC3=C(C2=NC(=N[NH]2)C(C)C)C=CC=C3)F,HZRMRUUGTDEFCF-UHFFFAOYSA-N
-85CA72390FA02887_A5AC263436F2B2CF_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=CC=CC(=C3)C)(=O)=O,GBJIUFHHGYLZFJ-UHFFFAOYSA-N
-8717A38FC3966780_E354D0CC4F64D499_6041_UN,COCC1=CSC(=N1)NC2=C(C)C=CC(=C2)N3CCOC3=O,DCVTVGOXULWCKP-UHFFFAOYSA-N
-88D0C9AA445F7FDF_C1600953E91C3F1C_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,MTZUCQRQGQPEFN-UHFFFAOYSA-N
-899C62F6CC155F3E_DE31BF65AD289BA6_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Cl,SXSHQKCRABSTNH-UHFFFAOYSA-N
-8A9D7BB6BDCE2513_00B6099DB96B5443_6006_UN,CN1CCNC2=C1N=CN=C2C3=CC=C([Si](C)(C)C)C=C3,LXNXHMHFJRFBLE-UHFFFAOYSA-N
-8B57E6632CFD15F8_CCA4BEFF2E048D8E_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C(CC(C(OC)=O)=O)=O)C=CC=C2,HHGCZUMITUMUDX-UHFFFAOYSA-N
-8E5EECD2B6FF596B_23848EDEDB429568_6036_UN,C1(CN(C1)C2=NC=C(C=C2)Br)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,UOEOQFZSDLKPJF-UHFFFAOYSA-N
-8F074C6D11591140_316F6B8108453ACD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(Cl)C=CC=N3)CC4,KOQSHQUWJLVAOE-UHFFFAOYSA-N
-8F1833B22B8DBFE3_722487C3A7235911_6029_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,BGWPEEDCRXHEEB-UHFFFAOYSA-N
-8F74C09FDDC75A81_9CD235D24CBAE63C_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4)Cl,DGSRCONYKGQAIH-UHFFFAOYSA-N
-904C4E17B746D810_996DA1A0F0775F2E_6029_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,VPSOGEOUORIBPI-UHFFFAOYSA-N
-93D2DE2CDD17B3FE_477114E5AB82095D_6038_UN,C[C@H](NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=N[NH]C=N3,BDGJQKIERYBIKV-QMMMGPOBSA-N
-96106A67CA8A4B64_70BF0C659AAD60EF_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CC(=O)O)C(=O)O,ULFICTIYGRVUQJ-SECBINFHSA-N
-99260134184D23C2_F75DE425AB14DA7F_6031_UN,CCNC(C(C)C)C(=O)OCC1=C(C(OC)=O)SC=C1,CSPQPMFRQCWTDZ-UHFFFAOYSA-N
-9B68C74DBB1CDE90_7C24BB668AB152B9_6038_UN,NC(=O)C1=CC(=CC(=C1)COC(=O)C2=CC=CN3CCCN=C23)[N](=O)=O,DYOHEWSMIHDULP-UHFFFAOYSA-N
-9B9614E06DA17EF6_480DE29ADC781BE5_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,ZHONLJFWVYTRKQ-RHSMWYFYSA-N
-9C2E963FACECAB83_02541B8F69502C7C_6041_UN,COC1=C(C=C(C=N1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,OKKSKZBBMMZQFL-UHFFFAOYSA-N
-9E79739468436EC2_EDDA8E05E3746161_6038_UN,CO[C@H]1[C@@H](CC1)NC(=O)CC2=CC=C(C=C2)[N]3C=NN=C3,OMVHFHKOMZWTOQ-ZIAGYGMSSA-N
-9EC23CFB7BE0CCAA_F08EB9C8F7AC27C8_6038_UN,N(CC(=O)C1=CC=C(C=C1)OCCF)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FBFGRODDUBWOGJ-UHFFFAOYSA-N
-9EFE77AE7C6EEE55_6DD57E7DADAEBB45_6029_UN,CC1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C4=NC(=CC=C4)C,OLGIXXKETGGEOA-UHFFFAOYSA-N
-A0A2EC2A6759D8A2_BA1F2037FAB3E587_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC(C3=C[N](C)C=N3)N4CCCC4,YBNMYNDYBYZBFG-UHFFFAOYSA-N
-A1BF3B6FB3E0FDE8_119616E32FEC328C_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@H](CC)C)C(=O)O,NXIVWPUAJGSFAT-ZANVPECISA-N
-A1BF3B6FB3E0FDE8_947A69651A034A4A_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@H](CC)C)C(=O)O,NXIVWPUAJGSFAT-ZANVPECISA-N
-A2F75135F618558B_8B2636729693356D_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=CC=C3)CC4,MOWGILSMKGWAAB-UHFFFAOYSA-N
-A329C49FBDA64301_06660D0202736B1A_6041_UN,CC1=N[N](C=C1)C2=NN=C(C=C2)NC4C[C@@H]3OC(O[C@@H]3C4)=O,IUZNTSOUAKCCQJ-FGWVZKOKSA-N
-A3568E67C78304C4_E93136E0A540CD00_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C([C@@H]3C[C@H]3C4=CC=N[N]4C)=O,WPOCJTOSQQJGCY-VXGBXAGGSA-N
-A3A73E4119B482FC_643D3E94149886B5_6034_UN,CC1=C(C(=NC(N1CC2=CC=NC(=N2)N3CCN(C)CC3)=O)S)C#N,VVUULKJLXRCXLA-UHFFFAOYSA-N
-A3D59ABBD752C7AD_F9A98B7388B350E5_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4CCN(CC3=CC=CS3)CC4,RZGKRDLWKYIJEN-UHFFFAOYSA-N
-A6359414F8490C92_4A120AA89F261543_6038_UN,O(C1CC=CC1)C(C2=CC(=C(OC)C=C2)[N]3C=NN=N3)=O,IVJYWWRMWLMFNP-UHFFFAOYSA-N
-A776DF336B3BFCE0_32DFAE416D838909_6031_UN,CC(C)NCCCC(=O)OCC1=C(C(OC)=O)SC=C1,NEINMCDFXJZXFA-UHFFFAOYSA-N
-A943995A664D5EAC_E2D70F2F0C7C7D9D_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCC(C4=NC3=CC=CC(=C3O4)C)CC5,ANHJSVCCMFJKSW-UHFFFAOYSA-N
-A95828C217C05A3B_18145F4CCF5332BC_6041_UN,FC1=NC(=C(C=C1)C#N)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C,VPIGQTDVLJZMAX-VXGBXAGGSA-N
-A97FEA5E55B72A34_82657F938CC7CAE0_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCCC4)C)C5CC5,ACASJZBWCWBAIX-UHFFFAOYSA-N
-AA0CF8438169E2B0_6993D6CB3629EE21_6038_UN,CN(C)C(=O)C[N]3C=C(NC(=O)C1=CC=CN2C1=NCC2)C=N3,QWBLUBZICXBKPD-UHFFFAOYSA-N
-AC4A926057617DDD_22C4ED70F91D0365_6034_UN,Cl[S](=O)(=O)C1=CN(C(=C1)C(=O)N2CCCC2)CC3=CC(=NC=C3)[N]4N=C(C)C=C4,HSKOEKHRILRHTR-UHFFFAOYSA-N
-AC641CF680DC978A_A84C163B985B992B_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)F)C(C)(C)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FKQNHZVMCYJOHI-UHFFFAOYSA-N
-AD9501EEE7E1FA11_191C5AAC95ABE837_6036_UN,C(CC1=CN=C(C=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,XQTFAUORTPICRR-UHFFFAOYSA-N
-AF71242465D68430_7D19BB163F85FA07_6041_UN,C[N]1C=CN=C1C(=O)C2=CC(=C(C=C2)NC3=C(CCC3)C#N)[N](=O)=O,DEHFGLWUNKVDJD-UHFFFAOYSA-N
-B05A585CD4C183C7_60F9FB62C211D65B_6028_DP,OC1CCN(CC1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,POOUPGMRUIRSSK-UHFFFAOYSA-N
-B499A109C926122F_36C6CBB670C49DA3_6036_UN,C(C1=N[N](C=C1)C2=C(C=CC=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,FEGLHKOXQXSTGP-UHFFFAOYSA-N
-B54C21C28E55DC98_A5ED023E0E30D920_6038_UN,CC(C)OC1=C(C=NC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NVGYRXCALJJIJO-UHFFFAOYSA-N
-B695AF774AC8A1A4_B9BE1413FB09C6CB_6041_UN,OC(=O)C1=NN(C(=O)CC1)C2=CC=C(C=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,SIAWTKFXYUORAG-UHFFFAOYSA-N
-B725827E29F1607C_A167161D535547FC_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C3=N[NH]C(=C3)C4=C[N](C)N=C4)=O,CQTRUYYINXWGDI-UHFFFAOYSA-N
-B72E3DED9EBB1C0B_D15115E394EE81F2_6029_UN,OC1=C(C=C(C=C1)Cl)C2=C[N](N=N2)[S](C4=CC(=C(C(N3CCN(C)CC3)=O)C=C4)C)(=O)=O,NLFKEDIRDIGKSW-UHFFFAOYSA-N
-B99346BBF764D231_B3BADE71829F413A_6041_DP,FC1=C(C=CC(=C1)N2C(=O)NC(=O)C2=O)NC3=C(CNC3)C#N,VIDWDTGGCOSWOZ-UHFFFAOYSA-N
-BA63E42D10568DB5_0B355541AD15D208_6038_UN,CC1=C(C(=C(C=N1)[N](=O)=O)OC(=O)C2=C[N](C=N2)C3=NC(=NS3)C4CC4)C,GJUHYFOZFXBJDG-UHFFFAOYSA-N
-BAFC90A543D25710_674979ADE8BA9AEF_6029_DP,N1CCN(CC1)C2=NC=C(C=N2)N[S](C4=CC3=NC=CC(=C3N=C4)OC)(=O)=O,CYKOFLIHZUQVDO-UHFFFAOYSA-N
-BB9142B851C1766D_23866E8FD5CCBBA0_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,SAKRJGLJJUEWQP-UHFFFAOYSA-N
-BD33EF2CCEA32FF7_27E751EE9476DA0B_6026_UN,FC1=C(C=CC=N1)[S](=O)(=O)NCC(C2=C[N](C)C=N2)N3CCCC3,BSVLARMGKAFNCM-UHFFFAOYSA-N
-C05B9AF3CCD86430_2EDC14E17049E3A1_6038_UN,CN(C)CC1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,RTDAHYDQGBONSQ-UHFFFAOYSA-N
-C16EFA46EBFFCFE7_864B3DCA82FCB71A_6003_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=CC=C(C=C3C(OC)=O)[N](=O)=O,USAGAOGRFQOHOD-UHFFFAOYSA-N
-C1FF8FD91E9F6B8B_8451BEEAD737EF06_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,BSBAXMDGQPHZDY-FQEVSTJZSA-N
-C3B89E4DF207081A_8465666687678121_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C[N]3C)CC4)Br,XYJRZVGZSWACIN-UHFFFAOYSA-N
-C40A196312B1F25D_5CB91C9298FAD48A_6038_UN,CC(C)C(NC(C1=CC=CC(=C1)OCC(N(C)C)=O)=O)C2=N[NH]N=N2,BJHPNUHBJRYVNS-UHFFFAOYSA-N
-C457609376AAF90B_9E91D994E47095F2_6038_DP,CC(C)NCCCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,XDMMUQQDOUKYST-UHFFFAOYSA-N
-C4726F038CE71869_B11103EF872BD7FD_6036_UN,C(C1=C(C(=NC=C1)Br)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,AKCMSRJHKBXDGL-UHFFFAOYSA-N
-C622FD44CA20D553_2F4304084F0CD5FC_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(F)C=CC=C3)CC4,CYHMJSBCJNTQNR-UHFFFAOYSA-N
-C7D5E81E263AEE8A_1FDDAEC500E1A8A5_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,XMAQFPXJGAGQKE-UHFFFAOYSA-N
-C7D8FDAD2A28A37F_88266CA577694F7E_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C2=N[N]3C(=N2)N=C(C)C=C3C)=O,ZQVDSKWQACUBLJ-UHFFFAOYSA-N
-CA2D516D0718CF55_CE0CEFF6FFB97077_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C[N]3C)CC4)Cl,KYATZVPCAVESFG-UHFFFAOYSA-N
-CA6C782A333356D6_A12EF8DB0F78FEA9_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,IDSQCBTUPVYPOW-UHFFFAOYSA-N
-CC2C5173C10BA35D_43CF10BD664BEB44_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCC(C)(C)CC4,YTLSZPXQHCTTPI-UHFFFAOYSA-N
-CC707AAE75B52B87_32688C79685C4CB3_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCC(C3=C(N)C=NO3)CC4,FKRXTTODYYACKK-UHFFFAOYSA-N
-CC9A3266B67984A2_4C329A5BF492097C_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,AGHQAIYJCKIDTI-UHFFFAOYSA-N
-CCDD9F342C881F72_C20D956E8410E991_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Cl,WROPJMLWMXVXLY-UHFFFAOYSA-N
-CD42A3E9CDFA5BB0_1CB67ACB16E4CEBF_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C[N]3C)CC4,FUSJTRVWFIKTCP-UHFFFAOYSA-N
-CE3B0DBBA513121A_AB06A6ECFF541606_6038_UN,CC1=NC=C[N]1C2=C(C=CC=N2)NC(C3CC(C)OC3=O)=O,GBNZNWVZOKKYMA-UHFFFAOYSA-N
-CEEC22418D40DB98_759F30520AD1390C_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC(C3=NOC(C)C3)C4,VZQRHHDHAORVQG-UHFFFAOYSA-N
-CF0FAFD33FC0A7CB_DC68ECE46FE2EDBB_6038_UN,O(C1=C(C=CC=C1)OCC#C)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ATUPQJSMGGZZCD-UHFFFAOYSA-N
-D11D534DDBDCCF04_D76F9319FD1E94BF_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3=CC=C(C=C3)C4(CC4)C#N,OEZPNLZKFXGSCV-UHFFFAOYSA-N
-D1B1F00CEB26D8B3_1240141FDD7F9DEE_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=CC=NC(=N3)N(C)C,VUQPBUXLFPHOLP-UHFFFAOYSA-N
-D2C331B0BBBAFDDE_0C267B33B420AAD5_6038_UN,C[C@@H](NC(=O)C1=CC=C(C=C1)C[N]2C=NC(=N2)[N](=O)=O)CC3=C[N](C)N=N3,UGBDFKXPZHKKND-LLVKDONJSA-N
-D306BF805ED0C8F6_C3BA45D72A78460C_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,XHQAISILGJMVPX-UHFFFAOYSA-N
-D379DC6D289FAD81_D38D92EF4F6C3892_6003_UN,CCC(OC1=CC(=C(C(=C1)C)C#N)[N](=O)=O)C2=NN=C[NH]2,NOINJOXAYJBMLF-UHFFFAOYSA-N
-D6EED5738EF0B8E2_E8BC6E19FA683D13_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,QCIDIWMCLZOMRX-UHFFFAOYSA-N
-D740FD1DDC11FADB_F22BBD3F603E2980_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C3[N](C(=N[N]23)C4=CC=CC=C4)C5=CC=CC=C5)(=O)=O,YTEWHQMPTOJAEP-UHFFFAOYSA-N
-D77DE1DDA901D5C3_439C0D6EF44E4C21_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,OTQZQHLSHCJPMQ-UHFFFAOYSA-N
-D7E380389D27167B_BED33E7B7A2CD5C7_6041_UN,OC(=O)CC(C1=NC=CS1)C2=CC(=CC=C2)NC3=CCOC3=O,QLZQQYPMMNELPR-UHFFFAOYSA-N
-DDA47920B31817D5_D94836C16EBAC55D_6029_DP,C1C=C(CN1[S](C3=CN=C(C2(CNC2)C#N)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,BAZUUNAEKLZYRS-UHFFFAOYSA-N
-DDD0D54032A6BCA9_2838247BDD92DEF2_6029_UN,OC1=C(C=CC=C1)C2=CCCN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,MKFTXKJUVVRVDO-UHFFFAOYSA-N
-E20F31A3DBF2EA6C_D8AAE7295FCA21D9_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CC=C(CN3CCCN(C)CC3)C=C4,SRSSSVHJLWPIHQ-UHFFFAOYSA-N
-E359DC3A9C1FC93A_BB9DAE47B9EE10A4_6029_UN,C1C(CN1[S](C2=CC(=C(COC)C=C2)F)(=O)=O)OC3=CC=CC=C3,DIZBISLXKWRKHJ-UHFFFAOYSA-N
-E510921B3B069A65_90CA580C1965F945_6038_UN,CC1=C(C=CC(=C1)NC(CCC(C)=C)=O)N2C(=O)CCC2=O,VMQLEDSIXDIWTP-UHFFFAOYSA-N
-E56768C1C38BB7E2_4B83D9D939596850_6041_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)NC(C3=CC=C(C)C=C3)C4CC4,ACWMAMVILVIQFE-UHFFFAOYSA-N
-E6A97750BCD39328_4F8D68651DE934F3_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)[C@@H](O)C4CC4,GUBFQRCSQSBZPI-INIZCTEOSA-N
-E926D78F6C8FED9A_34B17ECDE1B45549_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C[N]3C)CC4,GQZUDAPLHRJDGP-UHFFFAOYSA-N
-E979D9A1F6F96457_E1E2BF25C4D783EF_6038_UN,N(C1=CC(=C(C=C1)[N]2C=NN=N2)F)C(C3=N[NH]C(=C3)C4CCCN4C)=O,QALJJHTZTQPCBN-UHFFFAOYSA-N
-E9888F0CAE58B104_792EE4DB7F082F2C_6034_UN,O=C1C=NC(=CN1CC3=CC(=C(N2CCN(C)CC2)C=C3)F)C#N,PNSOTIVDWOGVAU-UHFFFAOYSA-N
-E9EFD233A17F5690_5BE4D61D974A8A87_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4)Br,OFUCSXHZKIQWRU-UHFFFAOYSA-N
-EBF5ED176955CE9E_96E983E60D294BBF_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,YESGYNPCIUHNGS-UHFFFAOYSA-N
-EC42FD1BE733959C_932DCA65BDD09D74_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCC(C)CC4,FPTQBBUUKIYGMN-UHFFFAOYSA-N
-EF29522CE868BEF7_310C297DEADBB1E4_7015_UN,C1CN(CCN1[S](=O)(=O)C2=N[NH]C=N2)C3=NC(=CS3)C4=CC=CS4,QWGRXGAKRSFFBF-UHFFFAOYSA-N
-EF480A5829F1541D_186F9F224B6B4F3E_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(Cl)C=C(S4)[S](=O)(=O)Cl)(=O)=O,NWLCJWWDHRIZEW-UHFFFAOYSA-N
-EF85F5CDE8282F39_F95A258CE907ECEB_6038_UN,CN(C)C1=CC(=CC(=C1)NC([C@@H]2CN(C[C@H]2C)C3=NC=C[N]4C=NN=C34)=O)F,QYMVLEHRVDCVGF-MLGOLLRUSA-N
-EFF4B73EC2F0755D_6AB586A4CBDCFCD2_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=CC=CC(=C3F)C)(=O)=O,VGGDWQMDKKVMRW-UHFFFAOYSA-N
-F34425C60A75A6CA_AEEC82363A340C39_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,XKEKUICVHAXWKW-UHFFFAOYSA-N
-F488A1F0E2FD3A4B_EE9F88A71929D622_6028_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=N[N]4C(=N3)N=C(C)C=C4C)(=O)=O,BPWZLLIQQRKYMC-UHFFFAOYSA-N
-F734D79876972D77_08FEB8C2809FC6AA_6041_UN,OC(=O)C1=C(C=C(C=C1)[N]2C=NN=N2)NCCC(N4CCN(C3=CC=CC(=C3)C)CC4)=O,QLWZFHIMPJJFQF-UHFFFAOYSA-N
-F7F43249EABD1537_E73D2490889D58B2_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CC(OC)=O)CC(=O)O,SWQIEYQNPYABEK-NSHDSACASA-N
-F7FCF02DF0ACAFC1_F070A5C9D5A3CB88_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(Cl)C=CC=N3)CC4,FOMBACCRQHOARN-UHFFFAOYSA-N
-F8BCA69924943251_720F149830B1F263_6034_UN,O=C1N(C(=NC2=C1C=CC=C2)C3CC3)C[C@@H](N)C4=N[NH]C=N4,CIZWZQBVQLOEGM-LLVKDONJSA-N
-F9CD1369E800A13D_DDD752DA1F70C7EE_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=CC5=C(C=C4)OCO5,RXAGLPATMVBMRU-UHFFFAOYSA-N
-FA7B2C29055B3E79_7F8C6222C4843B3B_6029_UN,C1C=C(CN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CN=CC=C4,BPPCUPBNOHJVOE-UHFFFAOYSA-N
-FA9573F9106450DD_1C13377401010014_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C[N]3C)CC4,MPJGBHFYPLAZBX-UHFFFAOYSA-N
-FE1A3D1A05F3B602_F6CE07C54FAD6E14_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4SC=CC4=NC=N5,XRDGKTBBADASEX-UHFFFAOYSA-N
-01C0747C740B452C_CCD6D9BB523A3183_6035_UN,CC(OC1=CN=C(C=C1)[S](=O)(=O)F)C2=C(C=CC=C2)N3CCN(C)CC3,YMDJXQDVHVZZNA-UHFFFAOYSA-N
-028562A62144AC43_4E82C9255FF1821A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3,HSWPKJNKNBNWCY-UHFFFAOYSA-N
-03BC3235599E4A23_D84415B506B507AF_6026_UN,CCOC1=C(C=CC=N1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,WQTCPUCCYNNCIK-UHFFFAOYSA-N
-0485B02BDAB0DE16_23B9DC0CEEA6EEA1_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]3[C@@H](C2=C(C)[N](N=C2)C)N(C(C3)=O)C4CC4)=O,YYVCHRDHHVEMRQ-UGSOOPFHSA-N
-059B5FD6B7844BF1_4B0A6D153FE73BD2_6034_UN,CC2=C(C=C1N(C(=NC1=C2)Cl)CC3(CN(C)C)COC3)C,HPQIBKLOBQRDLJ-UHFFFAOYSA-N
-05E5E0AF39D39D67_EFFCE0141B2A25D9_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,HMNOGLLMQIBISF-UHFFFAOYSA-N
-0727D727D7B21195_01A9DC2B20D826A8_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=C(C(N(C)C)=O)C=C3)Cl)(=O)=O,KWEMRWOILREHID-UHFFFAOYSA-N
-08009727C2EF2834_1A45A45227F04314_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C,RCKNRPMSRZMKOD-DOTOQJQBSA-N
-0AAC05EDE64776A6_FBD494A85CC68507_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,RQXFZALDQCGZLZ-UHFFFAOYSA-N
-0AC3B4E334D91BD4_53AA7D623BD2210A_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,ZDNUNAQILYKDBM-UHFFFAOYSA-N
-107D0D4D0F08B60F_93725914970595FB_6029_UN,CCOC(=N[S](C1=CC(=C(O)C=C1Cl)F)(=O)=O)C2CC2,HEHSLBFUVZZGSU-UHFFFAOYSA-N
-10BDB9AA6E16D6A2_B66533D076109B13_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC=CC(=N2)CC)(=O)=O,PCMSYARSPINQOT-UHFFFAOYSA-N
-113A13F5BA3B7334_6119B9C308480D22_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=NO2)CC)(=O)=O,SVIPMELKWZXKOW-UHFFFAOYSA-N
-12F388E40F7C6F7C_D4EF261C405B4752_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCC(CN(C)C)CC3,FZQOLLCMBPKZAO-UHFFFAOYSA-N
-146C62E649E6FDDD_34949261BED03BD5_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)OC3=NC=CC=C3,WGTFQWCHFJTELC-UHFFFAOYSA-N
-1522D475DDFCC44E_FA559370F3D440BA_6029_UN,C#CCN(C1CCC1)[S](C2=C(C(C)C)C=CC=C2)(=O)=O,UVLKECHKJFSTNO-UHFFFAOYSA-N
-160746D1525FD0FE_48A1D14AB260AFEC_6029_UN,C1C=C(CN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=NC=CC=C3,DLXRHWZYPUZDIL-UHFFFAOYSA-N
-18FC1821487B5A1C_3D325820DC11B0F9_6038_DP,O(CC1=C(C=NC(=C1)F)F)C(C2=C(C)[N](C(=C2)C)C3CNC3)=O,DUSORWMDFGYCAF-UHFFFAOYSA-N
-1AC91681DE29C521_E85E8B9FF929207B_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CSC=C3,HKLMHBOBZJEBDR-UHFFFAOYSA-N
-1CD67071ADA619F1_7780126BD829932D_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,CWDBSPQMBOLPHL-UHFFFAOYSA-N
-1D12154D5EE4B834_F7BE1DCE4F57FB1E_6038_UN,CC1=C(C=CC(=C1)NC(CCCC(C)=C)=O)N2C(=O)CCC2=O,OOLVNQYQKBKSHV-UHFFFAOYSA-N
-1D167D6C0FA5A577_3A434EB59A8F2E1A_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C)C=C(C(=C2C)[S](=O)(=O)Cl)Cl)C=C3,DZOFMGCOWQPCCI-UHFFFAOYSA-N
-1D8942F8A66A4D0C_7D1EA0DEA5FDB500_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CC)C(=O)OC,RZJNBQWVLRDZRK-LBPRGKRZSA-N
-1E41291E3584AB30_B420EF4474B899FF_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=C3OCCC3=CC=C4)(=O)=O,MIIUUBHAYDUBKO-UHFFFAOYSA-N
-1FCD2941E0E1BB8A_F76C0BF5B99A5D68_6029_UN,FC2=C1CCN(CC1=CC=C2)[S](C3=CC=C(CC(C)C)S3)(=O)=O,FOKQOTUXEOEJMW-UHFFFAOYSA-N
-213CFA455B193F41_732449FCDB0ACA06_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC(=CN=N2)C3=CC=C(C=C3)Br)(=O)=O,RXIKIEIQZIYWCQ-UHFFFAOYSA-N
-22681CDF0F2ABF5C_0A81159D0A2D2BE8_6041_UN,OC(=O)C1=C(C=CC(=C1)C#N)NC2=C(C)C=CC(=C2)N3CCOC3=O,JDANLUMZNWFTST-UHFFFAOYSA-N
-22A092BBCC99FAE5_A8541C549549F4FE_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=CC(=C3)C(OC)=O)[N](=O)=O,AFOYVYXYFCEVND-UHFFFAOYSA-N
-22B03D092366E57D_03ED54DB605C2952_6029_UN,C#CC1CCN(CC1)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,WKJURMTXXQJNRB-UHFFFAOYSA-N
-245F41DA2CC7374E_2787DA7CD7165565_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C)C=C(C=C3)OC4=NC=CC=N4,ZWSJWESQVNIVFI-UHFFFAOYSA-N
-27B24A46B52EFBE5_78FD7ECE0B0269D2_6038_UN,CC(NC(=O)C2=CN1C(=NCC1)C=C2)C(C)CN(C)C,XRCCTFWGHGQIGS-UHFFFAOYSA-N
-2893C65C22B6C9F5_97D45BEBAB83AC06_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(C(C)=C)N=C2)(=O)=O,ZOYMCGOZIKLAIF-UHFFFAOYSA-N
-2B74ED5CFFBB26E2_7C3082719A267C89_6038_UN,N(CCC1=CSC=N1)C(CC(C(OCC)=O)C(=O)C)=O,RHPRIZCVZQLNSV-UHFFFAOYSA-N
-2BEDAF4899639FD0_FEE373E97A5CA79B_6026_UN,COC1=C(C(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)C)F,NOQSVIFZKZVWNF-UHFFFAOYSA-N
-30C7CB8142980CBA_6D1059E72B18795A_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,FQQONEQIORMHLJ-UHFFFAOYSA-N
-33562BC177DF03BD_2773031D3EDECF3A_7019_UN,C(C(=O)NC1=NC=CN=C1)=C[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)CO,RKBQDVVBGIWLBV-MDSNHJATSA-N
-34FE52A22B97E8F2_F037076EC2322209_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC=CC(=C2Cl)C)(=O)=O,YXHRVZRSQQGRMR-UHFFFAOYSA-N
-3642C9088D29E836_B13909E39C30C466_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4)F,CAUQCHDMSRBTDT-UHFFFAOYSA-N
-36B7822E1A6D329D_2E2446BC2917F514_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)Cl)O4,ILSKRDLLVUEQRH-UHFFFAOYSA-N
-37CF5F80E139F354_5F676892F208E569_6031_DP,CC[P](=O)(O)C(=CC(=O)OCC1NC(OC1C)(C)C)C,JNEIOUODURZJCD-UHFFFAOYSA-N
-3E9DA8E7EE3C70F2_4DDC7A97C48D5AB0_6038_UN,CN(C)C3=NC=C(COC(=O)C1=CC=CN2C1=NCC2)[N]3C,YMGBIGVWSHMDMF-UHFFFAOYSA-N
-3EC95A5948F20CDF_8EEDABA3CA6FBA40_6038_UN,CCC(NC(=O)C2=CN1C(=NCC1)C=C2)C[S](=O)(=O)C,PIQQZKHBESZMIO-UHFFFAOYSA-N
-411D21BDD2CF704A_5F88872F607414F5_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=N[NH]C(=C2)C3(C)CC3)=O,JPFMSBOVQHGPJM-UHFFFAOYSA-N
-44137290DD102BE5_EDB2D7B9E6191B8D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(C=CC(=C3)C)Br,QBVDSQDGGXPCQH-UHFFFAOYSA-N
-454CD149BA68FFC1_D81A14C285BC3965_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,IQVXYTKFFBFTRZ-UHFFFAOYSA-N
-4765E22919D0BA6C_D71C8842C4D79E2E_6038_UN,CCC(NC(=O)C1=NNC(=O)CC1)C2=C(C(=CC=C2)OC)OC,UPPXMWPZEAAUNW-UHFFFAOYSA-N
-47D98F0F29673A33_A0C14742D4DFC834_6038_UN,CC[C@H](NC(C1=CN=CC(=C1)C(N(C)C)=O)=O)C(=O)N,YJERFPUWOPIIEB-JTQLQIEISA-N
-489ADAB0899F70F1_61F0BD9E815642FA_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C4=C3C=CSC3=NC=N4,QDWMTZXHQCYKPK-UHFFFAOYSA-N
-4C2F346D75695879_964CCE591ACC8514_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,SOMFNOXBLXOSDN-UHFFFAOYSA-N
-4C4080F37202DFC0_E3FE453DCCF78961_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)NCC2=CC=C(C=C2)C3CC3)C,YVKDWZHHKVNUTI-UHFFFAOYSA-N
-4C4854D1F687BE3A_E6EED4BAA2FA19D9_7017_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=CC(=C2)CO)F)CC3)N,OHTJPIYEPQQFQD-UHFFFAOYSA-N
-4C669FE77FEA92CE_DA123E6D366C47B8_6039_UN,CC2=CN1C(=NCC(C1)OCC[S](CCC)(=O)=O)C=C2,WITCGXNKILFRJM-UHFFFAOYSA-N
-4D19DE650C0F4757_AE49CF892DD1C292_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,AETMRLWACOAHEB-UHFFFAOYSA-N
-4D22367DF963A37A_8619C7B025AEBB1F_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)Cl)(=O)=O,LZPUWZDEKFSIBU-UHFFFAOYSA-N
-50EF82599E327F2A_5A0490069D46F3B8_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=C([N]2C=CN=C2C)C=CC=C3,HPVMAWUYHDIHMH-UHFFFAOYSA-N
-5111DDA5005A28A3_C0805C91111B056B_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,CIRVAXKLYULTSL-UHFFFAOYSA-N
-5187A341BF384EE9_BC9E625289D7D918_6035_UN,CC1=C(C=CC=C1)C(OC2=CC=C(C=C2)O[S](=O)(=O)O)C3CCNCC3,UPOILHBKLBKOOQ-UHFFFAOYSA-N
-5467377804580025_C682C9A4A72887AE_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCCN(C2=NC=C(F)C=C2)CC3)Cl,AIGOTQQMRJCSCD-UHFFFAOYSA-N
-54B65606CEE01E7C_74C29C3EB10C3F5C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OCC)N=C(C=C3)C,JUGPGUBHNOILLD-UHFFFAOYSA-N
-57164047BA71BB54_BA61BB356A3D624C_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,MPCYJNSNGNYGGL-UHFFFAOYSA-N
-572D19D0CBF18BCD_C4980730A0CBABE2_6039_UN,CC2=CN1C(=NCC(C1)OCCCC[S](C)(=O)=O)C=C2,CSCMMJUKMHKEOD-UHFFFAOYSA-N
-574A372F30F781D8_5C8E3A8B79CFE74A_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C([C@H]2C(C)(C)[C@H]2C3=N[NH]C(=N3)N)=O,CGMJEOHEWUFFIG-ZJUUUORDSA-N
-575A076AA6CA8736_6272136FDAC87369_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC=NC(=C2F)C)(=O)=O,UNQWFSLBDGZZEH-UHFFFAOYSA-N
-586E56666220113E_8D6451439877D251_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)NCC2=CC(=CC=C2)C3CC3)C,KBNDCCVESRDLPK-UHFFFAOYSA-N
-58A0378CEFA07894_71DDF3B575A01079_6038_UN,N(C1C(N(CC1)CCF)=O)C(C=C[P](OCC)(=O)CC)=O,YRXIQYQACNIPPT-UHFFFAOYSA-N
-58D209C68AAA268D_993FCE920856E627_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=C(C=CC=C2)OCC3CC3,RVDOYDUIOZWKQQ-UHFFFAOYSA-N
-59A4CBED08C314EC_60864D55BAE08A0A_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C(N(C)C)=O)=O,YWFHCJBUGICBPT-UHFFFAOYSA-N
-5A4C21D51E517ABF_9CF67443BF70150A_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)Cl)O4,MMQMZDMVUVAMPK-UHFFFAOYSA-N
-5ADDA82CB79F38B1_3012475A5149DC96_6028_UN,FC1CN(C1)C2CN(C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,APBQOJAVBPZKQT-LBPRGKRZSA-N
-5CFC8E25AE53468F_C9D7AFDB9FBE4586_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=C(Cl)C=CC=C2)CC3)C,QHHPGKLVBRYIBI-UHFFFAOYSA-N
-5D635B7F750F5A93_E5E8640923331F10_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)NCC2=CC=C(C=C2)N3CC=CC3)C,JMCUKFJQRFOUGP-UHFFFAOYSA-N
-5E22AB1D85A1DB49_EB9CC71CC79C78E9_6038_UN,CC(C)N(CCSC(CC2=NC1=C(N=C(N(C)C)C=C1)[NH]2)=O)C(C)C,JSPVPXPIKOUEQA-UHFFFAOYSA-N
-5F7A0A5ECA233EB7_0453C4C7278D76F4_6038_DP,N1CC(=CC1=O)OC(C(CC2=CC=C(C(C)(C)C)C=C2)=O)=O,WATIAQMPYPWZMB-UHFFFAOYSA-N
-6042729D4A339294_F60EC367D54B18C7_6029_UN,C1CC(=CCN1[S](C2=CC(=C(C=C2)Cl)C(F)F)(=O)=O)C3=NC=CS3,WJCKOSDWPZGSDR-UHFFFAOYSA-N
-6106DD7160D30194_1EC08FE5B22F1F01_6038_UN,CN(C(=O)C)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)CC2,NSORCKJYMJJONP-UHFFFAOYSA-N
-625C328703A3D978_22CBAADBB8901D1F_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC([C@H](CCCC)C)=O)C,BTFFENDPXIIERT-ZDUSSCGKSA-N
-62CF421E0CE801B7_B3519FF3E7DBFBD7_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=CC(=C(C)C=C4)C,DNCHCHVZVLHQNB-UHFFFAOYSA-N
-63C86B4A20096D83_A9C35C2E5C44D343_6003_UN,O(CC1CC2(C1)NC(=O)NC2=O)C3=CC=C(C=C3C(OC)=O)[N](=O)=O,VWTDWMBUTIAQPT-UHFFFAOYSA-N
-63FE204666B1BABE_EA380938D9F2CB8B_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CC)=C)=O,SXKBVFPTFDTYCD-UHFFFAOYSA-N
-649FF15251C83627_ED014DCBEA055C87_6026_UN,[S](=O)(=O)(C1=CN=C(C=C1)N2C(=O)CCC2=O)NC4=C(CC3=C(C=CC=C3)O4)C#N,TUNWWVJKKSHIHV-UHFFFAOYSA-N
-6714020CED04F812_2511B9F9D0722F8E_6038_UN,COC1=C(C(=C(C=C1)CNC(=O)C2=NNC(=O)CC2)C)OC,JGOUZVFPVYLXIJ-UHFFFAOYSA-N
-67D3D4C654F8C3A4_4774C133D9338339_7017_UN,CC1=C(C2=C(C=C1)C=CC=N2)[S](=O)(=O)N4C(C3=C(C=C(C)C=C3)C)CNCC4,YRWVMSAUPDORMB-UHFFFAOYSA-N
-689D534F53A453D0_C2D1D041F1D74C25_6041_UN,CC1=NC(=C(C(=C1)C)F)NC3=CC(=C(N2CCN(C)CC2)C=C3)C,GDAVTTAOCZZDQH-UHFFFAOYSA-N
-68B8365A9ECEF537_3AFAA81D700BC7C5_6029_UN,C1CC(=CCN1[S](C2=CC(=C(C(F)F)C=C2)F)(=O)=O)C3=NC=CS3,HDQRSSRIHWYGEP-UHFFFAOYSA-N
-69AE493BCD4F21CC_B34A0BF89127343E_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=C(C(C)C)C=CC=C3)CC4)I,GZFRMTJLPUJSTF-UHFFFAOYSA-N
-6AF75BE2A39BA664_CED9FD67916BFEB7_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=C(C=CC(=C4)[C@H](C)O)Cl)(=O)=O,PMNSOXQIIBGSDT-AWEZNQCLSA-N
-6BBC75BF270683B4_FBF1B63BF7AEC6F6_6036_UN,CC(CCCl)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,JMUSDHQFNSZAKR-UHFFFAOYSA-N
-6CD3D75D20AB02D1_1951F7CCA1B32B26_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CC(=CC(=C3)C)Cl,ZEUCAJLCLFTKMI-UHFFFAOYSA-N
-6DBE4CD1E7B22961_A876A641E5D1F931_6028_UN,C1C=C(CN1[S](C2=NN=C(O2)C3=CC4=C(C=C3)C=CC=C4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,KJVICOAWDXGFHB-UHFFFAOYSA-N
-6E2E219DB7BF877A_0335EB327C73CAA8_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,QJYRYZYFRNQYRK-UHFFFAOYSA-N
-6F7C80E6DD758971_2301F2A45B4738D8_7017_UN,CC1=C(C=CC=N1)[S](=O)(=O)N3C(C2=C(C=C(C)C=C2)C)CNCC3,CZCLBXXFPNFPFI-UHFFFAOYSA-N
-70BDA69DCF36CA08_DD3A19DF37B6861B_6029_UN,C1C(CN1[S](C2=CC(=C([C@H](C)O)C=C2)F)(=O)=O)OC3=CC=CC=C3,TYRKIXPMYLTGGI-LBPRGKRZSA-N
-7112BF329135C136_30C6725F9DE9D07C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=NC=C2)C3CC3,WZLNQHKQUNDEJL-UHFFFAOYSA-N
-718400D3522A28D3_0B9FE2117BD248BD_6029_UN,C1CC(=CCN1[S](C2=CC=C(C(F)F)C=C2)(=O)=O)C3=NC=CS3,SKOKBOBQGZGQSE-UHFFFAOYSA-N
-722A9CBD49EDC777_4B0348D1DDC368B2_6035_UN,O(C(C1CC1)C3=C2OCCC2=CC(=C3)Cl)C4=CC=CC(=C4)[S](C)(=O)=O,ORRANVOFUCXAGT-UHFFFAOYSA-N
-72ACAAF2BE7BE266_31EACFC8ABE574A7_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=C(C(N(C)C)=O)C=C3)F)(=O)=O,ZLTORSXUQADZCH-UHFFFAOYSA-N
-73D4F06336D7377B_204434FED5DE7A6C_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CCN(C3=C(C(C)C)C=CC=C3)CC4,XWNVSGKXAWUZSI-UHFFFAOYSA-N
-7493D3F2842A4DC6_4D0F67AFC3AADF96_6035_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=C(C=CC(=C3)C(OC)=O)[N](=O)=O,ZWQIHSNYZPTFAL-UHFFFAOYSA-N
-758BE224C739D8D7_38ACED51A1BDD8D0_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=N[N](C)C(=C2)Cl,RSQPAKULUIILSB-UHFFFAOYSA-N
-75FE575011D49DFB_95BCD0A3331E54AF_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Br,DJUZTLDWCYRYRV-UHFFFAOYSA-N
-7619F3203164A49A_19E5B3D32E712C2A_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=C(N3CCN(C)CC3)C=CC=C4,JSTPUOKBKCUYAG-UHFFFAOYSA-N
-77B11637B8C57D1D_3A10DC55954CE99F_6038_UN,CC1=C(C(=CC=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,XVQWRLUASUNHJE-UHFFFAOYSA-N
-77BE13289045F819_4C43509BC29EE2E3_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=C(C=C(C)C=C2)OCC3CC3,YHPSLCYWXIJOBF-UHFFFAOYSA-N
-7B397591C98F22F6_9AB7A807F99CC883_6038_UN,COC1=C(C=CC(=C1)F)CNC(CN2C(C=C(C)C2=O)=O)=O,QJRMCNCIKSZLAE-UHFFFAOYSA-N
-7DD465A22B83783E_CF01CC070D301071_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)NCC2=CC(=CC=C2)N3CC=CC3)C,AZZOIZBKPAANOQ-UHFFFAOYSA-N
-7F8CB61E48D7AC97_AC3C8F014908FE2A_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C)C)CC3)Cl)O4,LWFKTOZDTHKEAJ-UHFFFAOYSA-N
-80DA95D627CC04BB_801D3F8009F390B6_7009_UN,COC1=C(C=C(C=C1)[S](=O)(=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)OC,FEDUTSDZKFIZBV-UHFFFAOYSA-N
-8208F6C1DA542D2F_27BC4464960E6A08_6029_UN,ClC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(CC(C)C)S3)(=O)=O,RHALOHRSGJBKOZ-UHFFFAOYSA-N
-834A8D3E4EBF94F1_4CBC363857A97FE1_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)Cl)O4,KEYCYSHUGIGABY-UHFFFAOYSA-N
-83E3432A279643ED_352D762B96D78D1E_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=C(C=CS3)C4CC4)(=O)=O,WZXZTOZMYXELIR-UHFFFAOYSA-N
-84AD4C2A59F84A9A_5E62B2015EB1B50E_6038_UN,COC1=C(C(=CC=C1)F)CNC(CN2C(CN(C)C2=O)=O)=O,ZDBVEOUPUJGTGO-UHFFFAOYSA-N
-84DA9A7E512023C3_A5AD71860C903245_6039_UN,CN(CCOCC(NC1=C(C(OC)=O)SC=C1)=O)C(=O)C,PNSCTVJZIHEMJG-UHFFFAOYSA-N
-87D333A08329A8E4_CAF28D321706D491_6029_UN,CC1=CCCN(C1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,CAMGRLBSBZCPBP-UHFFFAOYSA-N
-88F6F10874E6E71C_BE809D99877B6370_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)C,LNLUIDQBPACXDD-UHFFFAOYSA-N
-894DB83DD0DAD780_D5BB7F25B577C0F5_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(C=CC(=C3)C)F,XDGRUKQRRFIMBN-UHFFFAOYSA-N
-89B02B75D3A76C18_10B66DB5B41D9047_6034_UN,C1NC(=NC1)SC2=CN(C3=C2C=CC=C3)C(=CC#N)C(F)F,JPUAHLLMHRXXQG-UHFFFAOYSA-N
-8B48F6E64825DD1E_066F67F90D41FAD2_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(C=C(OC)C=C3OC)C(=O)O,GEIXYUMMLSPIEE-UHFFFAOYSA-N
-8C4054175BC7C805_5495AE32546126F2_6038_DP,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3C(C(C)C)NCC3)=O,MBCNLSCFSGSPRK-UHFFFAOYSA-N
-8D38B6294070C8AE_8B6F3C5F8838DCBD_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NC3=C(CCC3(C)C)C#N,GWKNKLODHGDGMT-UHFFFAOYSA-N
-8DE6A5ECA2DAD40B_8EC9122ECB8BC5BA_6031_UN,CC[P](=O)(O)C(=CC(=O)OCC1ON=C(C(OCC)=O)C1)C,XYUNGWDEBXHHBS-UHFFFAOYSA-N
-8E798F99E16E7913_EB3BBE29FE983F7C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=NC=C2)N3CCOCC3,CITZOUKTDCOHNE-UHFFFAOYSA-N
-8EA1F5C211A94503_41E7B706BF100A41_6029_UN,C1C=C(CN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=CN=CC=C3,ZYYQPCNYJCNIJY-UHFFFAOYSA-N
-8ED645B93286D03D_0447A5FC69567940_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)C2=CC(=CC=C2)Cl)CCN(C3=NC=C(C#N)C=C3)CC4,SAMIVIXQXJMJNH-UHFFFAOYSA-N
-8F8CFFBBC6F09382_F48428BC032FF6DD_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)F)CC3)Cl,VMCRTYZJRXTAKM-UHFFFAOYSA-N
-91125CA7E3ED408A_9F4435C04A345463_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=CC=CS3,BRNCYICVZZFPLF-UHFFFAOYSA-N
-924FFD7284B00C6C_777506E9AFFE2255_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)C)Br,VFUGLNUEIVUXHT-UHFFFAOYSA-N
-939E65A3CFF2E27C_9A79A5732276868F_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)C,TWXRUTJDHRRQGU-UHFFFAOYSA-N
-9417809F8E6C2813_C5E6A83B6C4B673A_6028_UN,ClC1CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CVPXKFHTECDSRO-UHFFFAOYSA-N
-9482925AA6F12B9E_E33935DA9FFD1B64_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C=C(C=C2)C3CC3)Cl,PJRKSHGFSDTRDC-UHFFFAOYSA-N
-966B7F5B8C37911E_309F1F99BE05458D_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)OC3=NC=CC=C3,DKSRLBWFQQPOAQ-UHFFFAOYSA-N
-9855E1191B1F836E_1822BE29A3C62B9C_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=C(C=C(C)C=C2)OCC3CC3,RMKHTBOMSCPLTH-UHFFFAOYSA-N
-98C1F22AE8AEDD14_C359BCC97EF4CCD1_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(ON=C2OC)CO)(=O)=O,KDLPCLAPLQUKLQ-UHFFFAOYSA-N
-99D7823079C087D0_0D63425A867BEC2A_6038_UN,CC(NC(C=C[P](CC)(=O)O)=O)C(=O)NNC(=O)C1=CC=CC=C1,ZPDTYIWPFGZIBE-UHFFFAOYSA-N
-9AEC4FDBD98085DC_6A598E85B695BBB2_6038_UN,CC(N(C)C)C1=CC(=CC=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FGPCBJZTPPCCTN-UHFFFAOYSA-N
-9B5D3AD88C283D82_F1B620D5102E518B_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2)OC(F)F)(=O)=O)C3=NC=CS3,KJMJJJDPDMUKCL-UHFFFAOYSA-N
-9BC706AFA1E5CE3F_59F92F1B46C581F0_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4)Br,OEYYCMLVAROMDU-UHFFFAOYSA-N
-9BDFC903D2EE7234_21A257920F0F01F0_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC=CC(=C2C)[S](=O)(=O)Cl)=O)C=C3,HTGJPUXNILQQIX-UHFFFAOYSA-N
-9CCBD7D8595CB7D3_F37B78B36B664A85_6028_UN,BrC1CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,AHNWMMWOTCILBQ-UHFFFAOYSA-N
-A0F63B1F353BF485_D0D3D3273E4C2A7F_6039_UN,CC2=CN1C(=NCC(C1)OCCC[S](CC)(=O)=O)C=C2,VSDYXDZGDSTSHX-UHFFFAOYSA-N
-A2582F15BF93CCC6_06804EF64E0E179A_6029_UN,CC1CC(CN1[S](C2=C(C(C)CO)C=CN=C2)(=O)=O)C3=CSC=C3,LMEHIQXYKNGLPP-UHFFFAOYSA-N
-A39CBB08F06E00FA_7C0CC9156A7C685D_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3)Cl,OPDSEEWFVGLYIF-UHFFFAOYSA-N
-A4341429B4BB731E_403A423A163B9641_6038_UN,CN(C)C1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)C,JFBHNNNQUMEERN-UHFFFAOYSA-N
-A44232B73E313B9A_C455A894494622D0_6038_UN,CC1=C(C=CC(=N1)C(=O)N)NC(C(CCN(C)C)=C)=O,XJEDAYWWXYRWPI-UHFFFAOYSA-N
-A73822A4BEC3EB46_6F83C03819261FD9_6029_UN,C1C(CN1[S](C2=C(C(C)C)C=C(C=C2C(C)C)Cl)(=O)=O)OC3=CN=CC=C3,XCTDCQUQXCFWBU-UHFFFAOYSA-N
-A8DA6DEFEA7129E3_CD5E2020690E2F58_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=C(C=CC=C2)OCC3CC3,HLRVMMSTUXUQAY-UHFFFAOYSA-N
-AC4005A22DC96BF0_2F2419F70B891A1E_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC=C[N]2CC3=CC(=CC(=C3)F)F)(=O)=O,ZCNUCISXPLFFEG-UHFFFAOYSA-N
-ACB8159F705F2A9D_DC015DCC82453E2B_6003_UN,O(C1=CC=CC=CC1=O)C2=CC(=CC=C2C(=O)C)OC,BOHUTCGGRMFNBQ-UHFFFAOYSA-N
-AE0E225EC473E904_9A59A6503BF4F981_6038_DP,O(C2=C1C=C(C=C(C1=NC=C2)F)F)C(C3C(C(C)C)NCC3)=O,VHEHLEXQEXZECZ-UHFFFAOYSA-N
-AEB8B5AB2B41E023_C02A65FA0C04A7B0_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3ON=C(C2CNC2)C3)=O,HSFHWRHXXYIBRO-UHFFFAOYSA-N
-AEEF7DEC996FBE0D_94ABA59B0F625F8E_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=NC=C3)N4CCCC4,XNJYSUDWAFRTQM-UHFFFAOYSA-N
-AF10D16C1E51B198_477B6905694066AA_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4)I,BQZDYRIKVDSPFB-UHFFFAOYSA-N
-B1CC2B46DDA55934_AB2CAC581BC54E75_6038_UN,COC(=O)[C@@H](NC(C[Si](C)(C)C)=O)CC1=C[N](C)C=N1,OOKMBAYUGCQTES-NSHDSACASA-N
-B1FDC632D34A0FBB_2153CADF73EAB44C_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=NC=CC=N3,ZBOHYPJSIUMFIH-UHFFFAOYSA-N
-B3C7ADAF55D17C88_80F738A66665E53A_6041_UN,OC(=O)C1=C(C=C(C=N1)[N](=O)=O)NC2=CC(=C(OC)C=C2)N3CCOC3=O,PURZXVFKWMNVBX-UHFFFAOYSA-N
-B414DF0DC3F63957_E4D94A2C00E6A48C_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)N[C@@H]([C@H](CC)C)C(=O)N(C)C,GXNPZNFZBZYWPF-CABZTGNLSA-N
-B49D3BE36F190C64_A2D7F595414E7778_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)C)Br,CGVQSIVPIULBKB-UHFFFAOYSA-N
-B50CCC2D250D3B0C_347A504EAC81FF29_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(C(=CC(=C4)C)Cl)C#N)(=O)=O,DGFACPWACYJMII-UHFFFAOYSA-N
-B62DFAA7E89069CE_F5F49DBEDF41F8A6_6038_UN,O(CC1=C(C(=NC=C1)F)F)C(C2=N[N](C=C2CN3CC(N(C)C)CC3)C)=O,ZNXAZSAYODKNRG-UHFFFAOYSA-N
-B71FDA84E461ABBE_25EE40AB4B01F903_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=C(F)C=CC=C2)CC3)C,CMRMCFDFEBKLGW-UHFFFAOYSA-N
-B77DB2FAD22B68F1_8FFF159EF047B737_6029_UN,CCOC(=N[S](C1=CC(=C(O)C=C1F)Cl)(=O)=O)C2CC2,OERSTDHFZIAWDM-UHFFFAOYSA-N
-B952AB598BAA17CE_CAC261719D51A003_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,OIKJMSYKZNUOTL-UHFFFAOYSA-N
-BB27A7A971EF28F2_782A8DAF595B06E0_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Br,YIYKVOPDRGMYDG-UHFFFAOYSA-N
-BD3CF26E3A619EF3_2F2F7BC53A7C337E_6036_UN,CC(CCBr)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,VJFWZRCGTRRIAH-UHFFFAOYSA-N
-BEA2D4A4D70D9451_65EDEEB696413BC0_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC(=N[NH]2)C3CNC3)=O,SCOFWIPBMYDXST-UHFFFAOYSA-N
-BF11AED1BF546BB2_46433EBEFEC7032D_6039_UN,CC2(C)NC(=O)N(CCOCC(NC1=C(C(OC)=O)SC=C1)=O)C2=O,YCMJLVUREOERPC-UHFFFAOYSA-N
-C0DAE07E15EA6783_B410BD52A2669687_6028_UN,C2CC1=C(N=CN=C1)CCN2[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,JEBNGYOCDKDBDT-AWEZNQCLSA-N
-C1CF9E686F33E98B_CECE732B274F183E_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N(C)C3CC3)C4,MAOASODELBJWCF-UHFFFAOYSA-N
-C61030C1DB8CDD68_226CCBC7E82DCBD8_6038_UN,COC(=O)[C@@H](NC(CC(N(C)C)=O)=O)CC1=C[N](C)C=N1,OTSPERWMFAVGEQ-JTQLQIEISA-N
-C8530B1D13E7FDA5_F12540BC4B24C356_6038_UN,O(CC1=C(C(=NC=C1)Br)Cl)C(C2=N[N](C=C2CN3CC(N(C)C)CC3)C)=O,JRTADKHCCPSARA-UHFFFAOYSA-N
-CBFC2438475DE651_65FB306681833CA2_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C4=C3C=CSC3=NC=N4,UKJJKXJPGNXHEN-UHFFFAOYSA-N
-CD2F9D3E2B9ECE1C_0305B43381F4DA1F_6029_UN,C1CC(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CSC=C3,PQRQEVRTOFSOGW-UHFFFAOYSA-N
-CFCA57639EB44480_90870F159AB2DD7B_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)C)F,CWMPZBATFQJUJT-UHFFFAOYSA-N
-CFFC9B27118CDD61_E60D6D850CA0E856_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC(=CC(=C2C)C)[S](=O)(=O)Cl)=O)C=C3,WORFUMHHQBDSRN-UHFFFAOYSA-N
-D1735C0CA4FA5587_FDAEE6506EC1AE6A_6039_UN,CC(=O)C3=C(OCC(=O)N1CCNC1=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,AVSULKORGOCVJH-UHFFFAOYSA-N
-D1D8FFC73A193AA4_EDE3F82556F25DCF_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2F)C(F)F)(=O)=O)C3=NC=CS3,YADIOPDSZOKTLA-UHFFFAOYSA-N
-D799173BB4DDBA5E_9D606F66114E7445_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CC2=NC(=C[N]2CC3)C)=O,IXHWABINWDHMNL-UHFFFAOYSA-N
-DBC396F118361308_FAE05EF1F5CF068D_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4,NFNQECRATLDBNI-UHFFFAOYSA-N
-DD9DA4D1BB22203B_4D32FAD8654A7701_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=CC=C(S3)C4CC4)(=O)=O,XSKYVLUZGRYHSV-UHFFFAOYSA-N
-DDDB8CB5741FFBCE_ECC77E414EBB190C_6038_UN,CN(C)C1=NC(=C(C=C1)NC(C2(CCN(C)C)CC2)=O)N,KFLOADSGQHYOCI-UHFFFAOYSA-N
-DEF563E2CAD4D412_62D6B6416FA4CA94_6038_UN,CN(C(=O)C)C1=CC(=CC=C1)NC(=O)C2=NNC(=O)CC2,BWUYRKVRPPMQPX-UHFFFAOYSA-N
-DF250D8F3C3DC742_04E40D7ADC573A1C_6038_UN,COC1=CC(=C(C=C1)F)CNC(CN2C(CN(C)C2=O)=O)=O,IEMWLFKEMZQTTG-UHFFFAOYSA-N
-DF69713B8261B79D_D3AFB00D34D3BAB4_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=NC=C[N]3C)CCC4,VCWCZFDZVHJAIZ-UHFFFAOYSA-N
-E1042C7DF8DB6860_66FE23F2848EBF28_6031_UN,O(C(=O)C(F)(F)C1=CNC(=O)NC1=O)CCCNC(=C2N=CC=CC2=O)O,MJLOEFOBGSZQKA-UHFFFAOYSA-N
-E120450CFE7F70D8_9B7CE9E93539125A_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(C3=CC=CC(=C3)Br)OCC4,ITNWLPAMMIJFLR-UHFFFAOYSA-N
-E1FE3AF2AAC03102_71CA2E5E740D2A7D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]3[C@@H](C2=NC=C[N]2C)N(C(CC3)=O)C4CC4)=O,TYVMIOXCKJZKDM-GUYCJALGSA-N
-E68A7667395F4547_01592E0AA7057BCC_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(COC3=NC=CC=C3)CC4,LWYHKQJCSFMCDF-UHFFFAOYSA-N
-EB17D9769B9803F7_6C3063F28332FFB0_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=CSC=C4,KLVVVAQQATYCSG-UHFFFAOYSA-N
-EB75524AA7011668_FB71D9174B234BAC_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,RUINONPYCZCSSA-UHFFFAOYSA-N
-ECC54414716130B3_CB53FB6252D54263_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,WCJFJUAOWGMXPW-UHFFFAOYSA-N
-EDD745659798EB63_059362E7974B5C84_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CN=CC(=C2)C)CC3)Cl,SDNPWDNVNZVUDU-UHFFFAOYSA-N
-EF06C34A248EA82C_02FE8F0C3B25C6D7_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(NOC)=O,UTJAWRGMKGEHND-UHFFFAOYSA-N
-F0A6347D6D73ADE9_4E8C19C377452F66_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4)Br,ZREFFBATTXYTPD-UHFFFAOYSA-N
-F1819DD7EDA87BAD_4B30B173F6B8E3F9_6028_UN,FC1CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,FOAHAOJQUFQZKT-UHFFFAOYSA-N
-F42FF24D76D404DA_13F224A10E2918DA_6029_UN,BrC1=CCN(CC1)[S](C2=C(OCC(C)=C)C=CC(=C2)C)(=O)=O,LVBQWCXVNQSPCA-UHFFFAOYSA-N
-F527EC01F7EE9F4C_A69A508CC14505E2_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3)C)Br,LCAVLYSHXOPWRR-UHFFFAOYSA-N
-F5A21DD007645459_B03AC7115AA96AD9_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,HSHINJNKMFQEQM-UHFFFAOYSA-N
-F6D5A18AE9C1B30C_D8118C2F1A44D297_6038_UN,CC(C)C(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=C[N]3C,MXGZBNMNVHXRGN-UHFFFAOYSA-N
-F8F3FCD150C6BA1E_13DFAB94AED2AC2D_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,LMTXTLULSQGSNB-UHFFFAOYSA-N
-F9B78D4ACB134C62_17AF353C5903F6CE_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCC(C3=CC(=NO3)N)CC4,WKVPVBNUVQXPEY-UHFFFAOYSA-N
-FA32C5634D06FECA_BA2FA901FC1FE2E3_6028_UN,OB(O)C1=CN(N=C1)[S](C3=NN=C(C2=CC=C(C(C)C)C=C2)O3)(=O)=O,XMPGOXBZRLGFGS-UHFFFAOYSA-N
-FC86F02CAFC563E7_D7F9E1C42C37625F_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,WSNANOMVQIPAEO-UHFFFAOYSA-N
-FDBCF8E64A678C53_4632916559DEAA3A_6029_UN,C1CC(=CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NC=CS3,SLRHWJALQSHJPY-UHFFFAOYSA-N
-FDE652ADD8052201_095E581976AF1BF4_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3=C(C)C=C(C=C3)OC4=NC=CC=N4,AMHBQDKCWHMVHC-UHFFFAOYSA-N
-FDEC1186D63A3D56_52951C890BD9716C_6041_UN,OC(=O)C1(CC1)[N]2C=C(C=N2)NC3=CC(=C(OCCCN(C)C)C(=C3)F)F,ASJKLJQVEHKLSR-UHFFFAOYSA-N
-FE1A195B483282D5_A27899E7686293FA_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)C,BIGVPTNRVXQWMG-UHFFFAOYSA-N
-FF0E412BEB3D247A_2980DB8079CE33E8_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N3CC(C3)OC4=NC=CC=N4,MMRJXRJKKRUQNI-UHFFFAOYSA-N
-04382D021AD2BDD5_356D8B374D6CBF1B_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,LOYBKTQGUSZCEL-UHFFFAOYSA-N
-0515141EF84974EB_424F8C170FA5B9F4_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(C=C3)C)C4=NN=C(C)O4)(=O)=O,BSEKWOUMPATRMT-UHFFFAOYSA-N
-0AE8F94E38A3BDA2_25BE1E145262DBD5_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,JUBXKSGIJXAYSV-UHFFFAOYSA-N
-0BA169FDB9A3AC16_00F746F14CBCF343_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C4=C3SC=CC3=NC=N4,SOQWFXKHOMLLTE-UHFFFAOYSA-N
-0C138CEA9C1BFE13_09160EC9C0BA2D9D_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,CCFLOHZDUOZQPH-UHFFFAOYSA-N
-0C897C27623C7385_E40FFB438859956A_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,AFVXDDHECXPZOT-UHFFFAOYSA-N
-0CD51E0CD618707C_EDE6885133071862_6038_UN,C[N]1N=NC2=C1C=CC(=C2)OC(C4ON=C(C3=C[N](N=C3C)C)C4)=O,GQCJVOWDNXVSDG-UHFFFAOYSA-N
-12800D4BC799E741_3B519B7A12C4FE25_6038_UN,CC1=[N](C=C(C=C1)OC(=O)C2CCN(CC2)C4=N[N]3C=NN=C3C=C4)=O,YORNYXOZTSQNQX-UHFFFAOYSA-N
-15E948C3CCF29E11_84C603CE0D56854B_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,YUZSGKRTEPNRBD-UHFFFAOYSA-N
-1664DE4C2FB3AE33_08BFCEE63B247351_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(N)CCC4,WHDSVGRIBODHGS-UHFFFAOYSA-N
-18174015C681DE8C_55C0B47FADE3BC04_6029_UN,C1CN(CCN1[S](C2=NC(=C([Si](C)(C)C)C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DVNDNSIJTRRXIJ-UHFFFAOYSA-N
-1821654032138F21_7B26FDB6CDB73976_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC(C3=CC=NC(=N3)C)CCC4,ASORHNYAJHNXSB-UHFFFAOYSA-N
-1B4AB0062C0AA861_2A106831907C34A5_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C3=CN=CC=C3,SBZJNPARNGBPLN-UHFFFAOYSA-N
-1C00820583B327B0_518A7F2D9EB878A9_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=NC=CC=N3,ONDPSEORORCDED-UHFFFAOYSA-N
-1D03D6F0FE8D41C5_CB1E696593D8EC42_6035_UN,O(C1CC[S](=O)CC1)C3=NC=C(C2=C(C)C=CC=C2C)C=C3,ITDQEZXPSCPOAH-UHFFFAOYSA-N
-1E9CA547A906B905_F2DDC78A50D27212_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C4=C3C=CSC3=CC=N4,HZKROHYBNZGGDN-UHFFFAOYSA-N
-203B2B4910F750E0_32E52236281C3D7F_6029_UN,C[N]1C5=C(C(=C1)C2=CCN(CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O)C=CC=C5,HAOXFWYSNGYVTC-UHFFFAOYSA-N
-206EF2FAD7240491_0404EA4AC9C12058_6038_UN,CC3=C(OC(C2=NN(C1=C(C=C(C)C=C1)C)C(C2)=O)=O)COC3=O,QOCGJPVDQGAJIY-UHFFFAOYSA-N
-219470BC986D82FA_F35148A1EBCC8590_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,RIZKIXXTKPAHTJ-UHFFFAOYSA-N
-2355FD9B40C53AF2_970695AF7071648C_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,QAPOUINHRVCKOI-UHFFFAOYSA-N
-278C4CA516597CAE_4FDEAA6BB48F271E_6035_UN,O(C1=CC=CC=CC1=O)C2=CC=CC(=C2C(=O)C)OC,QPBTXWYJNLYURM-UHFFFAOYSA-N
-2E8239316CBA1288_14D5C12E0825F445_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(C)C)C=C2)Cl)(=O)=O)C3=NN=CC=N3,CLYPDZPBHIYMFZ-UHFFFAOYSA-N
-3100F0133FDAE2BE_B40B69B26BF44D86_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,LWDFOZVWOKJKSR-UHFFFAOYSA-N
-3202FEAB584BC77D_A6113935718CA642_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(C)C=C(C=C2)Cl)CC3)[N]4C=NN=N4,ZITYOSVDMXBGMA-UHFFFAOYSA-N
-34ED366C7ADC8103_1A1B564A8DC935F6_6029_UN,C1C=C(CN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=CN=CC=C4,SZPFQERPOFBRNI-UHFFFAOYSA-N
-35CAF4EE28237429_76CA046EC9F49E96_6029_UN,C1C=C(CN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=NC=CC=C4,QNZUWBNQTGMEEZ-UHFFFAOYSA-N
-3A2497C20033E204_406048E476FE35F7_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O)C=CC=C5,VTFFJWAZBGRJHT-UHFFFAOYSA-N
-3A847F59B533BC9A_77344C51385111E6_6029_UN,C1CC(CCN1[S](C2=CN=CC(=C2C)C(F)F)(=O)=O)C3=CC=CC=C3,SAOPDJXPSOQWEM-UHFFFAOYSA-N
-3AB994B9F6FF4733_018B70CCAB5E6496_6035_UN,CC1=CC(=CC(=O)N1C2CC2)OC3=C(COC)C=CC=C3,CUUJDIVQEVOPHN-UHFFFAOYSA-N
-3C2CDFA10380AEAD_B1D24152479B737E_6029_UN,OC1(CCN(CC1)[S](C3=C2OCOC2=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,PXOMOUJTRXXDQV-UHFFFAOYSA-N
-3D3641DABA52D4FB_2DC48288D83C2C24_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3)[N]4C=NN=N4,YPRTXWALRIQQNY-UHFFFAOYSA-N
-3D85B264D623113A_07D144987C9DDB4A_6038_UN,CC2=C(OC(CC(C)(C)CC1=CC=CC=C1)=O)C(=O)OC2,LXZKGEIXHWKEFM-UHFFFAOYSA-N
-3E31A5155D2C785D_C925CC72E8C4346D_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2N=CC=C3)(=O)=O)C4=NC(=CC=C4)C,IWUVNDRSQNXWAW-UHFFFAOYSA-N
-3E4D6121C200DC54_A3B789DD6C1E03BE_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)C3=NN=CC=C3,YIKIBBAPVDSUMP-UHFFFAOYSA-N
-407E14469CA96E60_237C6EC298E8D5E8_6043_DP,N1CCN(CC1)C2=NC=CC(=C2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C#C,OAYMMYXHSFESRJ-UHFFFAOYSA-N
-40C2F0380D235C00_9E8B5F5016E0BEF5_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4)F,RABFJCOEKOIXQY-UHFFFAOYSA-N
-4398F45BBF1A0857_1C174AB699313324_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=CC=N[N]2C)C3=CSC4=C3C=CC=C4,JWDHYEJLRNHMKW-LLVKDONJSA-N
-451EB31888C7F065_93AA90FDC6AC6CA3_6038_UN,CC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CC3=C(C=C2)OCO3,GWCZFORDOUWJSD-UHFFFAOYSA-N
-457091F6BF02D86F_21B721CB952A14EB_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,XHKRQLBLQFDASB-UHFFFAOYSA-N
-47080D7414D01F16_75B82D6D371AA548_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C4=C3C=CSC3=NC=N4,KOAWHVULTRGVPJ-UHFFFAOYSA-N
-471543C101238DF8_ACFDD0DA100962E7_6034_UN,CC1=CN(C2=C1C(OC(C2)=O)=O)CC3=NN=C(OC(C)C)C=C3,FBWPAWZUOLIHNI-UHFFFAOYSA-N
-47FF19445B5517AD_734E124141DDCFBD_6038_DP,CC2=C(OC(C=CC1=CC=C(C(O)=O)O1)=O)COC2=O,BXPSKONBHZIVEA-UHFFFAOYSA-N
-4AC851507937AB64_DFA0811069A2ECE8_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC(=C2)C3=CN=NC=C3)(=O)=O)C4=NC(=CC=C4)C,PRKLVFWWCXBDOZ-UHFFFAOYSA-N
-4E1772433F5A8776_1E61ECC8B6E3E34E_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)C4=CSC=N4,RZYNWAHIAIOWHF-UHFFFAOYSA-N
-5351966F21BD7A08_854FDD4E8F28F239_6029_UN,C1CC(CCN1[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O)C4=CC=CC=C4,DSARMEYFNXWXAD-UHFFFAOYSA-N
-543F13AC2076C7CF_01944109CC7F7FA3_6028_UN,C1C=C(CN1[S](C2=NC=C(C)C=C2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,PLZAZZIRVYLOBR-UHFFFAOYSA-N
-597ACD80B7FF153A_5258AB4A6598E2DE_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)C4=CSC=C4,QKETYGHCVFHTTD-UHFFFAOYSA-N
-5D3C9C2A8AE30FD6_F048263A11F124C9_6029_UN,C1C=C(CN1[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O)C4=NC=CC=C4,JBUAUKAWJHGYAE-UHFFFAOYSA-N
-5F0CAD74C4A36443_E781FCF5D7C8AE19_6029_UN,C1N(CC1C3=C2C=CC=CC2=NC=N3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,KMXVJLDJWHGTFR-UHFFFAOYSA-N
-61576BA9C2DC34AE_8AAB596C86498BA8_6029_UN,Br[C@@H]1CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,XJZKMZLYRJKDQR-ZDUSSCGKSA-N
-61EDCD9CCE0B370D_FB5FD2B1742B4AEE_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,VZMRPNUNYWTZTE-UHFFFAOYSA-N
-627B1EBBD23B29A5_83897694DC8B4A22_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,AOULYPHHGJSUND-UHFFFAOYSA-N
-6641AADD269795BB_369DE757B80AF359_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(N)C=N3)Br)CC4,FUIDKPKNLCWVSF-UHFFFAOYSA-N
-66FDE4CE504975FE_BE11D0285156F2F8_6034_UN,ClC1=C2C(=NC=C1)N(C=C2C3CC3)C4=C(C)C(OC4)=O,RPIIESNMHQKGQD-UHFFFAOYSA-N
-68A6BBF14BC399F7_23EF8233C0A2229E_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=C(C(C)C)C=CC(=C3)Cl)(=O)=O)C=CC=C4,ZBSPKWXXUGGZFT-UHFFFAOYSA-N
-6AD5039CE765D0C6_33AFAAC53125C21B_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C3=CSC=N3,SLCJIQBEHXQTDB-UHFFFAOYSA-N
-6BE3826B30503F37_B170A4FD802EE697_6029_UN,C1CC(CCN1[S](C2=CC=C(C)S2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,OWQLLFIFYYJHAR-UHFFFAOYSA-N
-6DFD7922DDC91761_403CDC6C395540DA_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C4=C3C=CSC3=NC=N4,FXMNUYAVTWQLKD-UHFFFAOYSA-N
-70DFE156CB73B66A_4FED2181C23FF222_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=NC=C(C#N)C=C3)CC4,QBCIRWFODKLACC-UHFFFAOYSA-N
-71D80CB52F472B26_95A3786BCC3C05EB_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3=CC=C(C(O)=O)C=C3)=O,INAAIYBZORLHLN-UHFFFAOYSA-N
-72A094C803CC8046_A4D66A05D4CA4770_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,YWMJYHYPXDIBGN-UHFFFAOYSA-N
-767FEC45802B9D0C_24C870809C502542_6038_UN,CN(C)C1=CC3=C(C=C1)C(NC(=O)C2=NNC(=O)CC2)C(=O)N3C,HMBOTUGOKBRPIJ-UHFFFAOYSA-N
-7E6908FFD621E4F0_8B2AB84C5C27C879_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(N)C=N3)Br)CC4,MBGVWXXHSVISHM-UHFFFAOYSA-N
-81E187552BC76DFF_6B312AFC7607B5F1_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C#N)C=C3)C4,GGAZICZZTKYMSS-UHFFFAOYSA-N
-835D641022EB7D8D_3573B7F042F316D1_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C4=C3SC=CC3=NC=N4,MLFYWBIDSDXVQO-UHFFFAOYSA-N
-84038CE78F51BB66_A2E0A93A13EBCD7F_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,BAFLDKVLEYNCFK-UHFFFAOYSA-N
-87DFDECCD6E80210_96333EF8E44BEC75_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(Cl)C=C2)Cl)CCC3)[N]4C=NN=N4,MQGAMFFKIFNQFA-UHFFFAOYSA-N
-8AB07DD4AC0671AB_0F5F4843CF7E160D_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C4=C3SC=CC3=NC=N4,HEZWRJKJHMZPCX-UHFFFAOYSA-N
-8E5061B1965AD9D1_3FB847BA4E8D3D77_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=NC(=NC=C3)C4CC4)=O,FKVPKEUYWWUICF-UHFFFAOYSA-N
-906C1685F4B61461_1D87071A2EE8E09D_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,DUPOUGQIWKZACK-UHFFFAOYSA-N
-9134691AA9B60423_6326C9AD563BB4AC_6029_UN,OC1(CCN(CC1)[S](C2=CN=CC(=C2C)C#C)(=O)=O)C3=CC=CC=C3,MHXZIEQLIKZTPS-UHFFFAOYSA-N
-92288BD140064148_EB0498F64D22C589_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C[N]3C=CN=C3C,TXMVDYLDOBARRK-UHFFFAOYSA-N
-9451471CA474A94B_8D070BC2FFCB8993_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CSC=C3,ZCYAUQKOLZDDMQ-UHFFFAOYSA-N
-962B5974FD673C4D_D7C4B6994274DEB3_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C4=C3C=CSC3=CC=N4,VSFHBQRUGLRGNM-UHFFFAOYSA-N
-9B0E4C4BB86A1325_4B16AA2EAB26ADF8_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2(CC2)[N]3C=NN=N3,RSJWBSCTUSXQRJ-UHFFFAOYSA-N
-9B675F306C7297B5_D5F2CEA9A6C4B280_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC(=C2)C3=CN=NC=C3)(=O)=O)C4=CC(=C(C=C4)C)C,SKUAXBPCBYPKJQ-UHFFFAOYSA-N
-9D2092409CCC6F82_D2D215F54CE8F87F_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=NC=CC=N3,ZRBUIWDNAACTQD-UHFFFAOYSA-N
-9D7BE0AC80352D2E_26BB5385C75279A8_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,AFJIZRKDSQRYEG-UHFFFAOYSA-N
-A7652498212C7CEA_A8D161A35A342748_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,KQCZIVUEHMUDON-UHFFFAOYSA-N
-A8690866486E79FA_017B9EDC9EE411FC_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CNC4,XTTVACNEUZCHSR-UHFFFAOYSA-N
-A945E50FF51696FD_139A341BD4DBF247_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=NC=CS3,FUVSBEGYSVQEAQ-UHFFFAOYSA-N
-AB0268ACB5E8CC06_6FCBA5DE30A5AE19_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,LDHFSVSLCKJQBS-UHFFFAOYSA-N
-AB3843E51E2EA571_5C4352DA1E6581AE_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=CSC=N4,NWECLGBLQFCLEG-UHFFFAOYSA-N
-AD95FBEE2AD4D0BE_D40465798A048BA9_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CC=CO3,ALYBUJKIZNHFEP-UHFFFAOYSA-N
-AE9DF8E9440E608C_605E75859C70001D_6038_UN,C[N]1C=NC(=C1OC2=CC(=CC=C2)NC(C3=NN(C)C(CC3)=O)=O)[N](=O)=O,VFOAKSUPPUSAGV-UHFFFAOYSA-N
-B1950EFAD2313FD3_007F944A59D8A19D_6038_UN,CC3=C(OC(C1=C(C)N=C(C=C1)C2CC2)=O)COC3=O,BAZXMCMBACQFAE-UHFFFAOYSA-N
-B280AAF33A1407F8_9A73AA960688E576_6003_UN,CC3=C(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)COC3=O,LOGJDHFZKWKAIT-UHFFFAOYSA-N
-B8664F0BDDD96BA2_32E58B9188724771_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,XRHJHSIFOHYXNF-UHFFFAOYSA-N
-BA51024D26EBB6A4_45BAA62C6EC2B867_6026_UN,C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,FIQUFWHYUHACPB-UHFFFAOYSA-N
-C1AEACE7D1C76CBA_57FC21522D22D0B6_6029_UN,C1=C([N](C2=C1C=CC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=N4)(=O)=O)C5=CC=CC=C5,UORPUAPTNYYQCS-UHFFFAOYSA-N
-C49B685C022B4080_98A61D9497D02929_6038_UN,NC(=N)C1=NC=C(C=C1)NC(C2(C)COC(=O)OC2)=O,CXZYCKMMYMMLCR-UHFFFAOYSA-N
-C6D156F6F7386851_74930E3E8C1ED408_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C3=NC=CC=N3,XDAYKAPZEFKZJQ-UHFFFAOYSA-N
-C8E0F88DC37D93AE_3DFF6325AE92FD6D_6029_UN,OC1(CCN(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C4=CC=CC=C4,RVHGOHGMYLICFM-UHFFFAOYSA-N
-C9D0061B84B33FBF_5377C95DD6992077_6038_UN,CC2=C(OC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O)COC2=O,KMIDPODYSOSFTN-UHFFFAOYSA-N
-CB121436C721A2B8_33AA196CABC9E374_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC(=C(C(C)C)C=C3)F)(=O)=O)C=CC=C4,JDOUWMKRJVXVJP-UHFFFAOYSA-N
-D0E4B31953FA7F3A_59DC48751E7EC640_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)[N]3C=CC=N3)C)(=O)=O)C4=CSC=C4,KLBWCZFCNGDXDT-UHFFFAOYSA-N
-D10DD0488E8566B9_3427DE397CA9C062_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=CSC=C3,NJOCDFRXLRMFJH-UHFFFAOYSA-N
-D1ABC564B2BB299B_03613BACC2508EA8_6029_UN,F[C@@H]1CN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,VSQGIPPUIGQDRR-ZDUSSCGKSA-N
-D91589ACF003F69D_62D8A6875D244C5F_6029_UN,C1CC(=CCN1[S](C2=CC(=CC=C2)C#N)(=O)=O)C3=NC=CS3,SUZGYCIEXRNCEV-UHFFFAOYSA-N
-D91589ACF003F69D_8F69E3F446B638D5_6028_UN,C1CC(=CCN1[S](C2=CC(=CC=C2)C#N)(=O)=O)C3=NC=CS3,SUZGYCIEXRNCEV-UHFFFAOYSA-N
-DA568C18160B3839_22F55D2A97668313_6038_UN,CC3OC(=C(OC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)C3=O)C,SCNAVVNLUCNQEX-MDGPAFOCSA-N
-DC257C02BD006E83_38CF4D5676684716_6038_DP,OC1=NC=CC(=C1)CNC(C3ON=C(C2=C(C)C=CC=C2)C3)=O,UZZGFRCHCGQDIO-UHFFFAOYSA-N
-DE87A23069FEF683_6A187464B5EA4F6A_6038_UN,CC3=C(OC(=O)[C@]1(F)C[C@H]1C2=CC=CC=C2)COC3=O,SNNQUGSQHLNMBC-NHYWBVRUSA-N
-E01CF8FAA6026361_DF19EEC35B5FB266_6038_UN,CN1C(C(N(C1=O)CCCNC(C2=C(CC(OC)=O)SC=C2)=O)=O)=O,HKIWBXRJYNKBTI-UHFFFAOYSA-N
-E2309AD7FC5D7B82_DC412B8251792D3A_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,ZLJFPJLLXPOOSK-UHFFFAOYSA-N
-E3CDE674FAC469CE_92662A195CA89E3C_6038_UN,C[N]1C=NN=C1SC2=C(C=CC=C2)NC(C3N=CN(C)C3)=O,HWIHGVBUIMXJOY-UHFFFAOYSA-N
-E5CD227DF7D2224D_54004536AAFAA734_6029_UN,C1CN(CCN(C1)C2=NN=CC=C2)[S](C3=C(C=C(C(C)C)C=C3)C)(=O)=O,FIJJHTOWGVMXNG-UHFFFAOYSA-N
-E68CA958D54A414D_7DDC5B57213B8178_6038_DP,OC(=O)C1=C(C=CC=C1)OC(CC2C(ON=C2C)=O)=O,PHEDLOJDXRCXDW-UHFFFAOYSA-N
-E9441371084FAD93_C30B65D9788327F3_6026_UN,C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,YEOPIRVUOHCDGE-UHFFFAOYSA-N
-E9630BAB8EF63CFD_94A30F4113001653_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,SSUSXWQLAHQPIJ-UHFFFAOYSA-N
-EAB447E860253D33_135D300680B9905B_6029_UN,C1C=C(CN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=NC=CC=C4,RICIWLFZDKYSRE-UHFFFAOYSA-N
-EC1A53F00128812D_B898D4B2B6859AB6_6029_UN,ClC1CN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,QUVBHDUUTGCXIL-UHFFFAOYSA-N
-EDA4336C22A41EE5_4660E45F53F196F3_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CC=NC=C3,ZVJKDGLKITXUBM-UHFFFAOYSA-N
-F1DE85A39C4704A2_51AADC8C28929928_6029_UN,OC1=CC2=C(C=C1)OCCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,RZOFDBFYICWNMP-UHFFFAOYSA-N
-F6F3EE373E326CED_05AFF5FB61D86AD1_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(F)CCNC4,GTLJGHSRAHOZBN-UHFFFAOYSA-N
-FD61EF9FCF3E25EF_934A83D79BE5019D_6038_UN,CC1=[N](C=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)=O,QQHISUNEWFUGGE-UHFFFAOYSA-N
-FEC07C0A10299A31_C73A6A713964A4AE_6034_UN,BrC1=CC(=CC=C1)N2N=CN(C2=O)CC(N)CC3CC3,ZLTSUNHLYOJQAF-UHFFFAOYSA-N
-FF1D1D62C0DEAFAD_65741B8223B94FDF_6029_UN,OC1(CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,VPVZAQLCNVRMSB-UHFFFAOYSA-N
-03209F8D27CA9B6C_BC4AAA9750176E7B_6034_UN,CC1=CC2=C(C=C1)N(C3=C2C=NNC3=O)CCC#C[Si](C)(C)C,UXJIMSFIJLCFPM-UHFFFAOYSA-N
-04BD50196DBB29D9_87B27B19E47C6FCD_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,HBQJUVQOFRIGPD-UHFFFAOYSA-N
-05D15DFFD7DD8AEA_8C42F07A8F3DCEA3_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,POSMZYURRMKWOF-UHFFFAOYSA-N
-088C6D477DBCA439_8308F617A033964E_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,VFLXCPJOARGNEV-UHFFFAOYSA-N
-0B58A26C9A659BD7_B8DB1E65CEAA8F00_6041_UN,C2(=C1C3=C(COC1=CC=C2)C=CC=C3)NC(C)C4=NN=C(C)O4,COENEBXHQCTNEX-UHFFFAOYSA-N
-122C60701089AA58_865C439980148B3F_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,AKXPTOLMUZUZSL-UHFFFAOYSA-N
-129E6EE8B9B97D95_4B5B30F7B21DAC4B_6038_UN,CC(C)C(NC(C(CCN(C)C)=C)=O)C1=C[N](N=C1)C,JQPKKROZUCNMIC-UHFFFAOYSA-N
-12AAD21DC6CB7C35_F28763808AAD8EE4_6041_UN,C1(=C[N](N=N1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,QTYOATYFADPWAN-UHFFFAOYSA-N
-1578FB746A40E997_723800BDD55FDB60_6029_UN,CC1CC(CN1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CSC=C4,YAMXDIBUTXMTEC-UHFFFAOYSA-N
-19AEE61225C64DFF_4D12C3B9BACA3C84_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,FKORKQNHVOBIEA-UHFFFAOYSA-N
-1C0ABC6795E8BF43_6700A379B7193C27_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=CC(=C(C(OCC)=O)S2)C)=O,MIBCQPUIMXZMQX-UHFFFAOYSA-N
-1F3D2F9DB349A766_9455AF0E6E9C4DD5_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)C)CC4,HLPNJEYRAKBZQS-UHFFFAOYSA-N
-1F4BE7103CB19216_DE0477079B8CAC9F_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,PFYVMHCDXJCPDG-UHFFFAOYSA-N
-20176D26C3754D3C_D21666708BFD093C_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,YYZQCYHBVKKHAM-UHFFFAOYSA-N
-24EC56681A09071F_513FF5876A482FAF_6026_UN,FC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,VCTJIYWFQQAQAM-UHFFFAOYSA-N
-24FDEB6116B37EB5_CFEBE52F71820A68_6041_UN,C1(=NN=C(O1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,LSZXOCSYBRSQTF-UHFFFAOYSA-N
-25A2A679138D84F8_C18433C5D8D4C145_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,XDDSWCKSIPJQLS-UHFFFAOYSA-N
-27E45DE109CC4E9E_17237E7B19FC995A_6038_DP,N(C1=CC(=CC=C1)SC2=CC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,SWCYZEJKBAAMAP-UHFFFAOYSA-N
-2D2EC5BA46B84909_BF9E4704B139CC27_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CC=C(C)C=C3)CC4,IFSZBPZSJSKTPJ-UHFFFAOYSA-N
-30086AC51974F120_4999FC6683E05910_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,WPQCAQHISQRQQY-UHFFFAOYSA-N
-306F505F5F77657A_B4971AE01E953C71_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)C)CCC3,KMTHXUXNWLGZPZ-UHFFFAOYSA-N
-32DC536EDB654E3C_72B275C79C7F07DB_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,AWOZLZWOQOLGLV-UHFFFAOYSA-N
-385347BCFC38062F_D514F954CE9B98B5_6029_UN,C1CCC4=C(N(CC1)[S](C2=C(C=CC(=C2)C)OC3=C(C=CC=N3)C#N)(=O)=O)C=CC=C4,NYVXBHQPVQJQRQ-UHFFFAOYSA-N
-3C08B4E3A6B1998D_3AD22E4FFFFB79C6_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,OYIQZXUHLMMKCW-UHFFFAOYSA-N
-3DEA9C1A54713B23_DD920A5C6E174549_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,URIJIZANSZNHGC-UHFFFAOYSA-N
-3FDDA8FAD25A597F_EDFC843CE932266B_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=CC=CC(=C3O)O,DWWKTZKFFGGODW-UHFFFAOYSA-N
-403D4AEC3C502EFC_86D19570C2281361_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,AFLYFLOTUOURRA-UHFFFAOYSA-N
-40B796ACF1FB2032_A48E4C8C7858B965_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC(C2=CC(=CC(=C2)C)C)CC3,YLOVIRREODSLMY-UHFFFAOYSA-N
-42752103B6C56C66_249E9D9FE49BC26B_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3,NJMLVPOEYZLJAQ-UHFFFAOYSA-N
-45A6E82CC7E7B842_356049E6721B8FD3_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,DFCMBZMXJHESJU-UHFFFAOYSA-N
-46348F52B0213F2F_87D6151B649F9887_6004_UN,C[N]1C=NC2=C1C(=CN=C2)C3=CC4=C(C=C3)OC(C)C4,FLPWUGZOXJKZBI-UHFFFAOYSA-N
-4830FAFB4FB59FAA_0EFC126EEAFE68EC_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,YVFTUFPIOCHNFN-UHFFFAOYSA-N
-4944F73667F86AC8_3795F5D31AE93FA0_6041_UN,C1(=N[NH]C2=C1SC=C2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,JWEHBTPHWAEQHX-UHFFFAOYSA-N
-4ABEE7D11F6B7868_16697AED460B4863_6038_UN,CN(C)C1=C(C=C(C=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,FHPPNUREERXQDE-UHFFFAOYSA-N
-4E0DED7139436214_C5B78BA02AECF94B_6041_UN,CC4=NC1=C(C=CC(=C1)NC(C2=CC=N[N]2C)C3=CC=N[N]3C)S4,LPWHSCBTIFZWSR-UHFFFAOYSA-N
-4E67C8053534B69B_AA61ACD0C02B99FA_6006_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)C3=C(C=C(C)C=C3)C,YLSNJYJVGUKBMO-UHFFFAOYSA-N
-4FAE032D64B60C97_0C51B888DEAC46CC_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,XUMRJQBHUFJQRK-UHFFFAOYSA-N
-51BA3DEA637FA934_A1A862836E3380A2_6029_UN,OC1(CCN(CC1)[S](C2=CC(=C(C)C=C2C)C)(=O)=O)C3=CC=CC=C3,LNHABFKLSQXAMV-UHFFFAOYSA-N
-52696A62823333D3_78AB19133A02BDE0_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CC=NC=C4,GSAGYXPBIMROMC-UHFFFAOYSA-N
-546E7B2E420B1A42_F060B070C4835D79_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,HMSOSHHYLTVFSO-UHFFFAOYSA-N
-573323BA3E077686_512E2BBD47194251_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,BEQPISXJBHDCOI-UHFFFAOYSA-N
-5987A5D619FB2601_7A53FC20AAC24BC0_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)[N]3C=CC=C3,WLHGBMFTMDIZNP-UHFFFAOYSA-N
-59E42C6F68085B13_A0F2292771A269C3_6029_UN,C1CC(CCN1[S](C2=C(CC)C=CC=C2Cl)(=O)=O)C3=CSC=C3,LGPXJFCZPJWDRC-UHFFFAOYSA-N
-5E00B7D1040DE08B_3A5C23AAC530BE4B_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,QZHSHWPBLMQSOF-UHFFFAOYSA-N
-5E9146432BB18BD7_1B0A43B6CC3E4B13_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O)C=CC=C4,UYXYJZXGASWRDH-UHFFFAOYSA-N
-5E9146432BB18BD7_2670149B84FD29F9_6027_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O)C=CC=C4,UYXYJZXGASWRDH-UHFFFAOYSA-N
-6258F1FDD33811BA_929CBF3267CB6096_2201_DP,CC3CNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,QHKRWIXSVPNNCP-UHFFFAOYSA-N
-62B1A445898E9AEA_B9D2E65E3ED28BBE_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,ZPVOBKWISAPZKX-UHFFFAOYSA-N
-65C84D9225A87164_CC5C11BDD1AB0C69_6038_UN,CC2=C(OC(CC(C)(C)C1=CC=CC=C1)=O)C(=O)OC2,DUMZIRGMDZFGJN-UHFFFAOYSA-N
-677CBE6EE1CCECB6_461E36ADA8875385_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,AHHQUNOSMFLAQN-UHFFFAOYSA-N
-6A8FEB52F2F0E7CA_AC21A1DBEC6CAC02_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,LKDLQFOQAKAVNP-UHFFFAOYSA-N
-6B158964F731C023_F5F9AF7BA7747BC9_6034_UN,O=[N](=O)C1=CN(C(C=C1)=O)C2=C(C(OCC)=O)CNC2=O,WREAJKOWJBXNHO-UHFFFAOYSA-N
-70A49E208E5F6ED8_A88355DDB93CFDA6_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=CC=CC=C3,MAUNHBCPRBSOGN-UHFFFAOYSA-N
-721510D59B577D46_644E4A6EB6CFDA63_6041_UN,C[N]1N=CN=C1C2=CC(=CC=C2)NC3=C(C(C)C)ON=C3,PCENYWBPNKLAJZ-UHFFFAOYSA-N
-742274AB8FA82AE2_A3B13EDC4F273AC4_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)C)CCC3,ZOPOKKIUZAIVAK-UHFFFAOYSA-N
-76B02960DB18461A_77BBF3AAEDB10D05_7013_UN,C[N]1C=CC(=N1)[N]3C2=CC=CC=C2N=C3C(C)CC4=CC=N[N]4C,NXPOQHCIAKRSGV-UHFFFAOYSA-N
-7884713D64393D3F_356781E060409DC4_6029_UN,OC1(CCN(CCC1)[S](C2=C(CO)C(=C(C=C2)Cl)F)(=O)=O)C3=CC=CC=C3,WRHKXVLSLMDZIP-UHFFFAOYSA-N
-7A00611394EBFC0A_0D81D543139573B7_6026_UN,ClC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,UNWCVBBHUCIXFZ-UHFFFAOYSA-N
-7DB3E1195C6DC9C0_B5488A060C8BFACA_6027_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,VZNFZEKVIIQLEG-UHFFFAOYSA-N
-7DB3E1195C6DC9C0_B5488A060C8BFACA_7015_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,VZNFZEKVIIQLEG-UHFFFAOYSA-N
-7DB3E1195C6DC9C0_E3A578D6D3B8ADCC_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,VZNFZEKVIIQLEG-UHFFFAOYSA-N
-7E2A0AFB6A92CBF1_363A27AC700F9F86_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3=C(N2CCN(C)CC2)C=CC(=C3)F,HHMXOKSSQLBNIX-UHFFFAOYSA-N
-7E6A275A27880B3D_A7A688A7C28CFD37_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,KHEYOYLLSRNNBD-UHFFFAOYSA-N
-80542A0FB7BC9AD6_A391DC045BCD493D_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C=CC=C3,RQXZHZBHQXVCOH-UHFFFAOYSA-N
-8137CD0A0B41DDF4_E746944C95315BCC_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,GIESKTXCHWGQDD-UHFFFAOYSA-N
-81DB7BCE57DFCC27_DF3CECAFA8123661_6026_UN,ClC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,YFPNDVOZYIDUFD-UHFFFAOYSA-N
-84696449CAC63724_83A9D0B80B190B79_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,OHOMBMUONAIKHR-UHFFFAOYSA-N
-86EC225FF663DC68_344C47FC9C137B4C_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)CC4,WCCLLIJCXSOIBD-UHFFFAOYSA-N
-8A9A2417D2756A50_FC1B9DB149641A6B_6041_UN,C2(=C1C3=C(COC1=CC=C2)C=CC=C3)NC(C)C4=NN=C(C)S4,XXMCGQUCVDCOQF-UHFFFAOYSA-N
-8CB6BFB061330341_B44F640D6AE5507C_2201_UN,CC3CN(C4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34)C5CC5,SMOMQPUVFFGLRW-UHFFFAOYSA-N
-8E948D519872D4F3_647E8174B3266490_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,MFFNUJNDRGMGQB-UHFFFAOYSA-N
-91CF6ADBBC3723C6_60C40C7AF7699D13_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,LPDDLDQKRPTCBW-UHFFFAOYSA-N
-9249843B8AFDAF42_4106673762D27FD0_6026_UN,CC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,NZWOKEUEGSUEOT-UHFFFAOYSA-N
-994ECBD656336083_BBACD1683C044CFF_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,NYDOLOSTQIRCGR-UHFFFAOYSA-N
-9A80DBF154137C61_1ADFDD84C7BCC588_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,FAGHKCGMRMAPQC-UHFFFAOYSA-N
-9E2CD2A0F94AEDDD_59937256834F0B90_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,BUHBMWLTWDEHRP-UHFFFAOYSA-N
-9E2CD2A0F94AEDDD_EA1B02CAE11D4176_6028_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,BUHBMWLTWDEHRP-UHFFFAOYSA-N
-9FBB3304BD8FD409_537A0C04FBFE2748_6029_UN,C1CC(CCN1[S](C2=C(CC)C=C(C=C2)F)(=O)=O)C3=CSC=C3,LTJWGOPTSWHOHW-UHFFFAOYSA-N
-A60A26332DFB3AC3_03102AD2CED63EDE_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,KKIUDTIHZFFIOX-UHFFFAOYSA-N
-A8983C31CA8CC76F_D077B6DDB18683AC_6038_UN,CN(C)CC[C@H](OC(C1=C(COC)[NH]N=N1)=O)C2=CC=CS2,LUZNFRMWJJDESM-NSHDSACASA-N
-AC14713ADB74A196_DE893DB93ACB9F95_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)F)(=O)=O)C3=CSC=C3,BNWGKTIDDOXYLL-UHFFFAOYSA-N
-ADA0D3E35633F9A5_B23074A785E74722_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C)OC3CCCC3,CTMJOLMMFFMBJM-UHFFFAOYSA-N
-AF6E02C4B97612EB_446091414DF1E8BC_2201_UN,CC1=NC4=C(C(=C1C3=C2C=COC2=CC=C3)C)C(=N[N]4C)C,QQEDFTVRGKYIBU-UHFFFAOYSA-N
-B004A742E0F9691C_CFD721EDB0C5B608_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,UNPQCENBGKLLFY-UHFFFAOYSA-N
-BAD25E9A3ED69277_E0F0B331AF0DB402_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3N(C)C(OC3)=O)=O,QQMQGANLYYKSST-UHFFFAOYSA-N
-BADCFD1F4B8F823B_D95B5BCF5FE6C84C_6041_UN,CC1=NN=C([N]1C)NC3=C2C=CC=CC2=NC4=C3COC4,ODQDTJVTKRTBEU-UHFFFAOYSA-N
-BE72422F5ED3CE13_8382CC6BD1CF6A79_6026_UN,FC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,RFGDMPCIHJQGCI-UHFFFAOYSA-N
-BF909E65B845CA90_9877B3C1E781201A_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,BTIXYYUGFQTMTR-UHFFFAOYSA-N
-C5AD7468330F2610_2DF40A73AE497F73_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,QYTRINVUGXELCQ-UHFFFAOYSA-N
-C5F0FC2DF2B5C840_EB1B6AD57FE87F7A_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,WGJMFJRRSISKAB-UHFFFAOYSA-N
-C9D6F6D880BEE2BD_674A1DB5CD02012F_6035_UN,O(C1=CC=CC=CC1=O)C2=CC(=CC(=C2C)F)C(OC)=O,VFZHOWSULYVNKZ-UHFFFAOYSA-N
-CDA215DDCD1EA374_475B1866BF46B369_6041_UN,CC1=NC4=C(C(=N1)NCC2=COC3=C2C=CC=C3)C=N[N]4C,UGCOSOINBLTILN-UHFFFAOYSA-N
-CE2ADC9CD8958A44_23FCA0D97C400FA4_6035_UN,CCC(=C(N=O)C(=O)OC)OC1=C(C(OC)=O)N=CC=C1,QRSGPJHBHYFGRX-UHFFFAOYSA-N
-CEFD3FAFAE173323_DA1E0AF6E327C687_6038_UN,CC(C)C(NC(C1=CC(=C(OCCOC)C=C1[N](=O)=O)OC)=O)C2=N[NH]N=N2,AAWLIXJNIOHZBJ-UHFFFAOYSA-N
-D44726770C87830E_E5789E2D6725EEC0_6029_UN,OC1(CCN(CC1)[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CC=CC=C3,DHEOLBBIXGQIEY-UHFFFAOYSA-N
-D5281116EB10F911_BC1DB48F00B03C67_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCN(C3=NC=C(C#N)C=C3)CC4,NKOXQNYWIBUOOS-UHFFFAOYSA-N
-D67DB8BCE528B8B4_5E529430B3CD783C_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)Cl)(=O)=O)C3=CSC=C3,PZBQCGMPEMYINU-UHFFFAOYSA-N
-DB6008645391F908_D213CD1109C7D570_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2Cl)C)(=O)=O)C3=CSC=C3,KYEKDIIYFGXIRW-UHFFFAOYSA-N
-DC6E9F07AA84ED7F_D0D978BB2B97F1F3_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)C)CCC3,HHEOJPCVTCKPKT-UHFFFAOYSA-N
-DE607387715FB485_2CAD8BD347195291_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,QGIATMKWBSLZEJ-UHFFFAOYSA-N
-E297E6A0E2D1CF69_F4DA3D7E80CCA4FA_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,MITJROFHMPAUQE-UHFFFAOYSA-N
-E31A2080C2461C58_50C37B80789FE4B0_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,YFBMBAXZDWOLMV-UHFFFAOYSA-N
-E7D66ED6CB45BBC4_F6A34275FE2B9C69_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3=C(N2CCN(C)CC2)C=CC(=C3)F,LYVDEIAWNGNPLB-UHFFFAOYSA-N
-EECF1CB73C90C04A_BE5EB08FEEE53067_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C3N=CN(C)C3)=O,UJLOHOMUQNDFPW-UHFFFAOYSA-N
-F22606744807E901_9946351806FAADA2_6029_UN,C2CCN(CC1=C(C=CC=C1)CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,ZTHHNRMBISVXKV-UHFFFAOYSA-N
-F7C7E30B22E72EFF_EFA917D3A9E816A2_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4)Cl,JIVFULROOMFXNL-UHFFFAOYSA-N
-F816C062263F8A9D_775117F05D4A3883_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)C2=CC(=CC=C2)C[S](=O)(=O)Cl)C=C3,DHVGFUGBNKIXIR-UHFFFAOYSA-N
-F94DAB7B51869347_497E57D653C4D3C0_2201_DP,CC3CCNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,ABRPYWBKHBZLSD-UHFFFAOYSA-N
-FD2BE34C283CDE8B_8FD30480BC256586_6029_UN,C2CN(CC1=C(C=CC=C1)C2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,DCDAVSCQMKMPJX-UHFFFAOYSA-N
-FE2C2231F1871F55_01D0E0AD80140BEB_6035_UN,CCC(OC1=C(C(OC)=O)N=CC=C1Br)C[N]2N=NC(=C2)CN,RWSOUGUIVNYSMX-UHFFFAOYSA-N
-FE7E414A56F97C27_2512E7EBCB3B91C9_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,QPJIOCLOCFGBTH-UHFFFAOYSA-N
-0424B85D9EE3E3F0_939DB399CF586605_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC=C3)C4=NC=CS4)(=O)=O,KEZAVYUQFHTWDB-UHFFFAOYSA-N
-0513F4C55810476E_15244C3D2BDD612D_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,HWDGAJUPRSTHJH-UHFFFAOYSA-N
-05540DDC584A19CA_A19A360536BF6196_6029_UN,CC1CN(CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CC=NC=C4,CDWNNROLAPPXJR-UHFFFAOYSA-N
-068ADF446BD3EA89_0AC3447240242D46_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,JXTOUQWKTCHLNH-UHFFFAOYSA-N
-07B62ED2C6694533_E3B73CD188B60834_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,IKXJSRGZNUEEBY-UHFFFAOYSA-N
-096D831FE9AB2610_F98BF82BBF21956A_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC(=C3)C4=C5C(=CC=C4)SC=C5)[S](C6=CN=C(N=C6)N7CCCC7)(=O)=O,PEHOLYXPTQBXEC-UHFFFAOYSA-N
-0EDB9847B7C8E47C_CD239FEDF27016C4_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,OMXHZTWPURHRFR-UHFFFAOYSA-N
-12EC010748EABBA5_C520C55D8964A5B0_6038_UN,CC(NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)CC3=NN=N[NH]3,WKSDFQCRPWLBFH-UHFFFAOYSA-N
-1622D370ADBB45E1_8C3520EFC158EC88_6029_UN,N#CC1=CCN(CC1)[S](C2=C(C=CC=C2)C3=NN=CO3)(=O)=O,VKWIHWLCKLFKIK-UHFFFAOYSA-N
-1638FAE410FFCC95_726356C0A64EC272_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O)C3=NN=CC=N3,WAJSFCKPHCGKFV-UHFFFAOYSA-N
-1A213A13CE73CC5E_171ED3B0DC99D2DF_6029_UN,OC1CN(C1)C2CN(C2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,SZRXXFSOCUZUKH-UHFFFAOYSA-N
-1A2BA31969804A78_C29D8CAA4309A85F_6029_DP,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CCCNCC4)C=N5)(=O)=O,HPJFVDQVCJNOKW-UHFFFAOYSA-N
-1BBBD3D8D6EE45A0_C8A8E600CA3B1199_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3C)CC4,BWTGBLPKSGKBBV-UHFFFAOYSA-N
-1D03D01BCA90BFC2_B36A2A2346918F54_6038_UN,C[C@@H](NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)CC3=NN=N[NH]3,WKSDFQCRPWLBFH-CGCSKFHYSA-N
-232F5BE77FCD90F9_5BEB4A2964E6DB3F_6028_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NN=C[N]3C4=C(C)C=CC=C4)(=O)=O,CFQZYLDUMHPNDR-UHFFFAOYSA-N
-2710C4791AE8A9A0_95DDFD4D5C8E0325_6029_UN,C1C=C(CN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CN=CC=C4,UWFNOQVXSDSVNG-UHFFFAOYSA-N
-280417DFD9BA2E2D_CC4FC5850558A860_6028_UN,N#CC1=CC(=NC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,PCMFKJYULATNIO-UHFFFAOYSA-N
-28E538848A1BEF7D_3C7246276A2E00BC_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3C)CC4,JFYWUSQIDPMEMO-UHFFFAOYSA-N
-341B3C4957CD7E92_DB9FB9ADCFCF9917_6029_UN,CC1CN(CCN1[S](C2=CN=C(F)N=C2)(=O)=O)C3=NC=NC(=C3)N(C)C,ORGKXBOLLPTAPX-UHFFFAOYSA-N
-34F2FDB1CB583F32_DF2089804C8251CF_6029_UN,CC1CN(CCN1[S](C2=C(N=C(Cl)N=C2)N3CCCC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,SGLRBXQWBSCPQU-UHFFFAOYSA-N
-36E61DF6834EE2AD_B5ACE82B1F366869_6038_UN,CC1=CC(=CC(=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,JBLDEAUYQXKJNC-UHFFFAOYSA-N
-39E259182AAF9435_2E056E0C2CAA98C6_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,XAPPKTQLYCERIO-UHFFFAOYSA-N
-3D971DC87EE1A3C8_692133D97C3185EF_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,FSXQIIJSRCCLSU-UHFFFAOYSA-N
-3DA32DA49FA7D615_521C36F4FDEB3494_6038_UN,N(C1=CC(=CC=C1)N2N=NNC2=O)C(C3CC[Si](C)(C)C3)=O,PIRHYRHAWBTCNW-UHFFFAOYSA-N
-3E7E38E907850154_FE3FF2D2AD95AF2C_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,SUFMZZFROSONNA-FQEVSTJZSA-N
-494328C34BF60BEA_AC128456DDDFD532_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,RTUJWMXZAZTIMH-UHFFFAOYSA-N
-4AC4B8DCB9C9F4E0_129D44737EE19980_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]N=N3,OZRQIODGTNOJTF-UHFFFAOYSA-N
-4AEF38BCB14740ED_82EDB88CFD81F8B4_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C4=C(C3=NN=C[N]3C)C=CC=C4)(=O)=O,RWGZMRUEEBIPBU-UHFFFAOYSA-N
-4BDF9F13F24C58E7_B7E097F7CAE0170B_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)NCC3(C(OC)=O)CC=CC3,FXHDQBFEHLPUBQ-UHFFFAOYSA-N
-519E7859906B8C83_21FA9F84F9EB0E27_6029_UN,C1CN(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,KKJUVNFPKBLFHM-UHFFFAOYSA-N
-51BA359E7C2EC50A_7586C79916FFBE16_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC3(C(N(OC)C)=O)CC3,BVRVPPUMLNUYEO-UHFFFAOYSA-N
-52BB6DFB4C44FF99_398DA7CBC099B06F_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(CC3(C)C)C#N,XFMIFOSMLBKTCL-UHFFFAOYSA-N
-56546E10D3BE6FC2_BE10F0C2E9DD8C1B_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,APAWWZVIMVNDTI-UHFFFAOYSA-N
-5BC58312B679F7B3_13788DD8FE73BDC6_6031_UN,O(C(=O)C1=CC=C(C=C1)N2NN=NC2=O)CC3(C(OC)=O)CC=CC3,QEKIQHYWDLLJOK-UHFFFAOYSA-N
-5FCDB48E8A8CA166_7D5FF2F3CD3EB973_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NN=N[N]3C4=C(C=CC(=C4)C)C)(=O)=O,IDNGMFCGJCTNJG-UHFFFAOYSA-N
-60E7157203C21F7A_00A4475CD02EB18B_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O)C=CC=C5,LDKWFAASMPXIIM-UHFFFAOYSA-N
-61AC47F11F22C2E6_23B3387862170191_6004_UN,N[S](=O)(=O)C1=C(N=C(C=C1)C3=C(CN2CCN(C)CC2)C=CC=C3)F,DGGDUPRHIBNAGU-UHFFFAOYSA-N
-61F4A250C2D51DA2_480A9D6AFD308BE4_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)Cl,KLTSTNYUDRXYNL-UHFFFAOYSA-N
-627D13C43CC26962_38D868792C4220F2_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,IKXJSRGZNUEEBY-FQEVSTJZSA-N
-63B61B3CFB691ABF_2D7D69A54C0EB747_6028_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,WIMHFHILCBFADC-UHFFFAOYSA-N
-63E7FC0ED90BD409_39358F926CBD7682_6029_UN,N#CC1=CCN(CC1)[S](C2=CC(=C(C=C2)C)C3=NN=C(C)O3)(=O)=O,BPPZQAJNHRUTJH-UHFFFAOYSA-N
-654285A994FBCB93_305DA09CDF6CA832_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)N4[S](N(C3=C[N](C)N=C3)CC4)(=O)=O,XOIMBSFLOJGSOY-UHFFFAOYSA-N
-67BE3ABB23D91CDD_732356B9CB17E3F7_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)C4=NN=CC=C4,HLXPVGRMIHYNFG-UHFFFAOYSA-N
-69764C5AA0BF9C77_69F6BB5B08C15563_6028_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,MROXEXHNNFPLOY-UHFFFAOYSA-N
-6B631B7BFF26A6E7_3B607856CC31E92B_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C3OCCC3=CC=C4)(=O)=O,OCVQESOYDAPOGQ-UHFFFAOYSA-N
-6E97638A9182050A_A2DD9DE67DBA2505_6029_DP,C3=CC1=C(C=CC(=C1)C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CCCNCC4)C=N5)(=O)=O,PBCXMBJVBKNSQM-UHFFFAOYSA-N
-7056D2EFBF100FFE_A9280FFFEDD8B6C2_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,PCLGXCGFDOBBED-UHFFFAOYSA-N
-7132835C0AA13F2B_CC9261EAD9569BA8_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC=CC(=C2)C3=C(OC)C=CC=C3,XTEIJYCEHBZALT-UHFFFAOYSA-N
-75A2565DE92BB916_7F3C4D8E7E000A2D_6029_UN,C1CN(CCN1[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DWTNRCZODSGOKX-UHFFFAOYSA-N
-775C894B5E721504_E3DF8F9F38C670C0_6029_DP,OC1(CN(C1)[S](C3=CN=C(N2CCCNCC2)C=N3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ICGZKSATJARFEL-UHFFFAOYSA-N
-7ECF95863037E2DC_42261F53ED30854C_6028_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,DGAPBUAKHVNENR-UHFFFAOYSA-N
-8661CD67E18A6FF0_5B96C928FCB00A5B_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,HAGJAKGYQWVAFN-UHFFFAOYSA-N
-873972CF4698ACAA_33222783B951EB03_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3(C(OC)=O)CC3)=O,AZPBEBMMMUDUOH-UHFFFAOYSA-N
-8B51C059F7EAFC8A_9903AA30C1CD489E_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=CC=C3)C4=CSC=N4)(=O)=O,AGWZEJZUVBVCMM-UHFFFAOYSA-N
-8B76E57FC89AC480_E68164A7B12A22AD_6038_UN,COC1=C(C=C(C=C1)OC(=O)C3=CN2C(=NCC2)C=C3)OC,LZYHFIVKNAOSNZ-UHFFFAOYSA-N
-92C064425A307580_2D0A738FE1FCA195_6038_UN,COC1=CC(=CC(=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,HSYGJUBMCVUSNA-UHFFFAOYSA-N
-939964CF067A3A2A_3C4EE94421335FE4_6029_UN,CC1CN(CCN1[S](C2=CC(=CN=C2)I)(=O)=O)C3=NC=NC(=C3)N(C)C,LFYQUCBHJXIZKL-UHFFFAOYSA-N
-955CC8E5C5FE4CCC_124F0AB650D9EAA5_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC2C(C(OC)(OC)C2(C)C)(C)C,SXGBRCUJLARQKQ-UHFFFAOYSA-N
-97EB329FF5CA9F19_662AF773D549448B_6038_UN,CC1=C(C(=CC=N1)OC(C2=CC=CC(=N2)N3CCN(C)C(C3)=O)=O)[N](=O)=O,NLKBNVAHTWSKCD-UHFFFAOYSA-N
-9CCDD48B856EB4D5_7C542834CE065C5C_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,ANPFTZVYSYEFPZ-UHFFFAOYSA-N
-9DAE4F8441C4D86D_E4F64EE16F5129EC_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2NC3(C(OC)=O)CC3,LANHZSJJDDDMTJ-UHFFFAOYSA-N
-A4EE940FB059B4CE_3E9D9F5EAEF8EECD_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,RFZSOORPPJQUIG-UHFFFAOYSA-N
-A7E6F07EB40FAD3E_D52508E14EB7E64E_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=NN=C(C=C5)[N]6C=CC=N6,XGDPHAPQUDIVFJ-UHFFFAOYSA-N
-A8B8CC280E47C853_F3FFEBCF65400111_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC(=C3)C4=C5C(=CC=C4)SC=C5)[S](C7=C6CCCC[N]6C=N7)(=O)=O,OHUFJCDVMFWESV-UHFFFAOYSA-N
-AC6A1F4347200249_888E88136E134D79_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4,QGSLNGKIXGECBZ-UHFFFAOYSA-N
-AC761C87060B0779_2A64B60925B1C55E_6029_UN,C1CC(=CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=NC=CS4,QOWLABMIAKEJBU-UHFFFAOYSA-N
-AD2305824D6AF479_87C2205E382E051D_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,XBMHTTMIMLDGTP-UHFFFAOYSA-N
-AE3E29870E7B260B_74F6EF483F1647F8_6028_UN,C1N(CCN(C1)C2=C3C(=NC=C2)C=CS3)[S](C4=NN=C[N]4C5=C(C=C(C)C=C5)C)(=O)=O,GPLBFXXGOOJQPX-UHFFFAOYSA-N
-B029F768BA3F3D6A_21E97C1D2AF853AD_6028_UN,N#CC1=CCN(CC1)[S](C3=NN=C(C2=C(C=C(C)C=C2)C)O3)(=O)=O,CDOFFQFVEDCQIT-UHFFFAOYSA-N
-B04E6CA0ED871389_6B20FB158B4E6660_2201_UN,CC(C)C1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4,SOBYRRPUPPBPHG-UHFFFAOYSA-N
-B21016C8245AED1E_A08383D59566B7F0_6029_DP,C3=CC1=C(C=C(C=C1)C2=CSC=C2)[N]3[S](C5=CN=C(N4CCCNCC4)C=N5)(=O)=O,QEVIJPUTPRVECU-UHFFFAOYSA-N
-B27314E9A4D6B719_FF54020B49A92A2A_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NN=N[N]3C4=CC(=C(C)C=C4)C)(=O)=O,XZBDXBBSJCWVDW-UHFFFAOYSA-N
-B3503164597EA29B_498E5AB6D138A7FD_6029_DP,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CCNCC4)C=N5)(=O)=O,HKZJNAOMUHSOPD-UHFFFAOYSA-N
-B351C5C8442485EE_36C93B5181213FE2_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC3(C(N(OC)C)=O)CC3,BUMFBMAKDSUCDQ-UHFFFAOYSA-N
-B36E4A6C9861F942_FAB5A3500CB9AFDB_6028_UN,N#CC1=NC=C(C=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,OGVDZIBLDSTOML-UHFFFAOYSA-N
-B5A178E1F3807F86_FA410B8ED16BCFD2_6038_UN,COC1=CC(=CC(=C1)OC(=O)C3=CN2C(=NCC2)C=C3)OC,ACPRGUWPRFMNGP-UHFFFAOYSA-N
-B777BAE4247FB5BF_9065F4D56581DCEE_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(C=C3)C4=CSC=N4)(=O)=O,OYXRSHUNMMHSPI-UHFFFAOYSA-N
-B8216E5E9903F51A_8EF8DF748492C4C5_6029_UN,OC1(CN(C1)[S](C2=CN=C(N=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,VDIWEENRHHZPFS-UHFFFAOYSA-N
-BD392467D4BF782B_C49D5291972F098D_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)N4[S](N(C3=C[N](C)N=C3)CC4)(=O)=O,GXCMNCVXWQBAKC-UHFFFAOYSA-N
-BD49AF35D29A01CE_9AF0FBCBFF6629AA_6039_UN,CC3=CN1C(=NCC(C1)OCC(OC)C2=CC=C(C=C2)F)C=C3,WJQZEAWGCHTEIL-UHFFFAOYSA-N
-BD547F920B479A64_8F09F49D1837A0ED_6038_UN,COC1=CC(=C(C(=C1)NC(=O)C2=NNC(=O)CC2)C)OC,VYCLMYCUMRNOKB-UHFFFAOYSA-N
-C16B38285FCF01F8_7CF381833DAD5638_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,LTWBMWYZPFEZJN-UHFFFAOYSA-N
-C1E48674B0E1E8F6_72D4EF842F96784E_6005_UN,OC1=C(C=C(C=C1)C2=C(OC)C=CC=C2)C3=CC=CC=C3,CCTLWNDCHQZFDV-UHFFFAOYSA-N
-C1ECF5C6AEA057FB_7530881CB96CC1C4_6029_UN,C1CN(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,HPTCHUTWDISZGK-UHFFFAOYSA-N
-C7DBF911DB74BD0D_CE4B18958F2949EB_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,HWDGAJUPRSTHJH-FQEVSTJZSA-N
-CA4AEE8C261CA8F5_4BCBA96AAEB55988_6029_UN,CC1CN(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=NC=C4,WEGAZZWNKUTXFE-UHFFFAOYSA-N
-CBDD686B08A71A27_9830AEBEE7B95853_6004_UN,C1(=CC=C(C=C1)C(=O)C2CC2)C3=C(OC)C=CC(=C3)CO,VPJXWQBHHQVQMH-UHFFFAOYSA-N
-CBE1B3BFA2D5A4D9_99C2A17C6BC04FF5_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC(=C(OC)C=C2)C3=CC=CC=C3,CAPQJTYHTKKBBN-UHFFFAOYSA-N
-CE23AD537E1B7838_2550A67A096187EA_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,SUFMZZFROSONNA-UHFFFAOYSA-N
-CFE53E1EAFF4CD54_D854C4FAFB4BF3B6_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CCN(C)CC4,BCXXOUWUAVGYQI-UHFFFAOYSA-N
-D156CB74489A5C34_11580E43CF5B1D57_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,YHOITSZMSXNRON-UHFFFAOYSA-N
-D394AD23BBF804AC_E54C41BE6E39097F_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C#N)N3CCCC3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,LBDOXDZODLTUGI-UHFFFAOYSA-N
-D43D9EA85A45EBA3_D1E340F71FC4E7C0_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC=C3)C4=CSC=N4)(=O)=O,NUAPCCCSELREOY-UHFFFAOYSA-N
-D4A3A45BB9EA7573_E13B5A73EBDD7C9B_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C(C)[N](N=C2)C[Si](C)(C)C)N3CCOC3=O,NZHXNFCCTAMRKI-UHFFFAOYSA-N
-D76CE11E7592687C_7A935DD791266F11_6038_UN,CCOC(=O)[C@@H](NC(C[Si](C)(C)C)=O)CC1=C[NH]C=N1,DUSOMCLHCINGHC-NSHDSACASA-N
-D955075D77F0E09A_95144F290C3BEC6D_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=CC(=CC=C3)[N]4C=NN=N4,QZVKNJPNIBEOJB-UHFFFAOYSA-N
-DF06172032E74777_3B2EF218A8CE7051_6005_UN,ClC2=NC=C1C(=N[NH]C1=C2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,CCNSAKXLSWVESS-UHFFFAOYSA-N
-DF80123DFBEE633A_7D472D02F15D3A45_6029_UN,C1CN(CCN1[S](C3=C2C=CSC2=C(Cl)N=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,LQRSQNUMJCZGLQ-UHFFFAOYSA-N
-E490C036777951D2_3EB2DCBAEEC1D38C_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=NC=CS4,KTJPUMFVMNALIY-UHFFFAOYSA-N
-E595BD116C6629EF_0A1E2C4C47CA9AF6_6041_DP,CC1=CC=C(C=C1)[N]2N=NN=C2NC3(C(OC)=O)CNC3,YZEKKOZEHXUTEC-UHFFFAOYSA-N
-E595D9EF4EE81709_F075B1E2E6038EE6_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)F,MXQCDHUQCYVNSS-UHFFFAOYSA-N
-E9B30F6C14799B74_CAA1890E233F423B_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,DCLNKNYXTOMAMU-UHFFFAOYSA-N
-EA02726DC46AE721_568BA4A4D43825E6_6043_UN,FC1=C(C(=CC=C1)C2CC2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,MEMJMGRSAVDTMB-UHFFFAOYSA-N
-EA9CE3CFB460F000_D7AD0AD5913F4966_6038_UN,COCC(NC(C1=CC(=C(OCC(OC)=O)C(=C1)C)C)=O)C2=NN=N[NH]2,HZRCOOSSDCKHCR-UHFFFAOYSA-N
-EC02E47F74F57CF7_965D3117C31EEC6C_6029_UN,CC1CN(CCN1[S](C3=C[N](C2=NC=C(F)C=N2)N=C3)(=O)=O)C4=CC(=C(C=C4)C)C,DFKQRAAHPCOSMG-UHFFFAOYSA-N
-EC55C32C7DE5AFE6_64E01BCC3C3B5E31_6038_UN,CC1=NC(=C(C=C1)OC(C2=CC(=NC=C2)N3CCN(C)CC3)=O)[N](=O)=O,QRVPALBTWOJIHZ-UHFFFAOYSA-N
-EC7DDB17688C7432_C0352966BDBBFD40_6029_UN,C1CC(=CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=NC=CS4,OVAWKEXFDHGFPC-UHFFFAOYSA-N
-F33D65F0005CC5AB_9E0F7524B1F85B6E_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C[N]3C4=C(C)C=CC=C4)(=O)=O,HJWIXEJTDJPGLV-UHFFFAOYSA-N
-F3A8F5EE3C703C8F_380C7B94D84C8602_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC(=C2)CC#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,NJIZYGOOQRKVLU-UHFFFAOYSA-N
-F409E531167EDC14_B4AAEDF7ED6B9673_6038_UN,CCCC(NC(C1=CC(=C(OCC(OC)=O)C(=C1)C)C)=O)C2=NN=N[NH]2,BPJLWYOUWDNYMG-UHFFFAOYSA-N
-F62643CB1BD9BF7F_15A5A6E8D05F081F_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC4=C(C=C3)OCC4)(=O)=O,MISIGEIYQDVNDJ-UHFFFAOYSA-N
-FA5BC21B3648A3E8_508727826495F41B_6029_UN,C1CN(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C5=C4C=CSC4=CC=N5,NBBLBVYIGPLMHA-UHFFFAOYSA-N
-FBD277A5BDE87B49_AF6D86A6E4E1F6F7_6038_UN,C[C@H](NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)CC3=NN=N[NH]3,WKSDFQCRPWLBFH-LLTODGECSA-N
-FC3F6C75811643AE_5BB8F930B7F26544_6029_DP,C3=CC1=C(C=C(C=C1)C2=COC=C2)[N]3[S](C4=CC(=NC=C4)N5CCNCC5)(=O)=O,ULJGSHLJYXUVEV-UHFFFAOYSA-N
-00A370E10FEA97BD_6049EE9B465EC38E_6029_UN,ClC1=C(C(=CC=C1)Cl)N2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,IGVDMGQAPKXZQI-UHFFFAOYSA-N
-0DFC358B3B51D855_8FBB5CCD5E1F81B5_6038_UN,CC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CCCN(C)C,MLJZSASAMNFJSX-UHFFFAOYSA-N
-0E164FEFD035B82E_7D99D7BA68CED83F_6041_UN,CC1=CC=C(C=C1)C3=C2C5=C(SC2=NC(=N3)NC4=C(N(C)C)C=CC(=C4)F)CCC5,XJRMMSOIJFQHLK-UHFFFAOYSA-N
-0F20A95D3615D9B7_8A663EF5F6C6C011_6038_UN,COC1=C(C=C(C(=C1)NC(=O)C2=NNC(=O)CC2)C(=O)C)OC,BHKNRYPFLAMTTL-UHFFFAOYSA-N
-102B8656C9AD3BAE_20103ABB665E0338_6003_DP,N2CC(COC1=CC=C(C(C=CC(OC)=O)=O)C=C1)C2,LKEHOXRRSXYWOM-UHFFFAOYSA-N
-11905423D9CD3E07_4F2875828A93603F_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O)C,DNTQHBMNXQIUBQ-UHFFFAOYSA-N
-1239AAD4522A87DB_7984B6A30F81278B_6041_UN,FC1=C(C=CC(=N1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,LIHYMFJJSMXRAI-UHFFFAOYSA-N
-141A8B7426B64B2B_D6243D95008CE825_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,ZNMVSKXKSZUWLC-UHFFFAOYSA-N
-18861DBA0240D65C_7E4F7BD6C5EADCDC_6038_UN,CC(NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=N[NH]N=N3,XESVDMXWNWOZFC-UHFFFAOYSA-N
-216DFD66A1D0CB1C_F97614F855EB5B37_6029_UN,C1CN(CCN1[S](C2=CC(=NC=C2)C(F)F)(=O)=O)C3=CC4=C(C=C3)OC=C4,ICDCIEAVSNEAGS-UHFFFAOYSA-N
-26E7383BEFDE3D11_9BA75F5C3424B9C4_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,SFWZSZIHGRWMRP-UHFFFAOYSA-N
-2BBFF4F02D83E9D4_DD21CD1C7A4CB1DB_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,RPWJTPMLAXIJHX-UHFFFAOYSA-N
-34BA80D33CB42B9B_4625769D9A3103E2_6028_UN,N(N1C(CC1)=O)[S](C2=C(C(OC)=O)C=CC(=C2)Cl)(=O)=O,LHDCKLPIGYXYOE-UHFFFAOYSA-N
-382E2038EC229472_C055EBFB298D0B3F_6041_UN,FC1=C(C=CN=C1NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,COKLIIFCLUEZQF-UHFFFAOYSA-N
-393D8AA125212043_47B38D3A96D19594_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4)Cl,FUTIVGBFEYDROI-UHFFFAOYSA-N
-3A7FBAD034FE3104_92BE815CF5F0D6E9_6029_UN,CC1(C4=C(CN(C1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C(=CC=C4)F)C,YWSPGQFPZCBDDE-UHFFFAOYSA-N
-3C7CB08EAAA361EE_D55EA688C1890955_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(F)F)C=C2)F)(=O)=O)C3=CN=CC=C3,MKJWQMFCJGPJKR-UHFFFAOYSA-N
-3DF8D7F1195863FF_B08E4E011FB0F7F8_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,FIAJDRASHAQZQH-UHFFFAOYSA-N
-3E96963290263D32_6CF99084A558B47E_6029_UN,C1C(CN1[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)OC3=CC=CC=C3,PSAHZGVOAUTWJT-UHFFFAOYSA-N
-4711D6B2C77431D5_E493FA339B19B025_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,BUSAVFBPTVTPQX-UHFFFAOYSA-N
-47784877DCBFCCA5_FEB3A2E359CA528E_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Cl,OEPFGNIFRKKFBL-UHFFFAOYSA-N
-47A11C5631EDD241_BFCEF1E6B12A3D7D_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,RFNUPCAFYAZZKQ-UHFFFAOYSA-N
-47A285FD3518C56B_9FBD275D163296C4_6003_UN,CC(OC1=CC=C([S](C)(=O)=O)C=C1)(C2CC2)C(F)(F)F,OAKKFHVCPUMABG-UHFFFAOYSA-N
-47A285FD3518C56B_D83BCC09CC88B828_6035_UN,CC(OC1=CC=C([S](C)(=O)=O)C=C1)(C2CC2)C(F)(F)F,OAKKFHVCPUMABG-UHFFFAOYSA-N
-4A0D8CB1C618FB44_C71DB3DF40627483_6003_DP,N2CC(OC1=CC=C([S](CC)(=O)=O)C=C1)(C2)C(Cl)(Cl)Cl,NBEVVWSKPKSABR-UHFFFAOYSA-N
-4B4D8870B77FCA3B_CA80AF42E0553011_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O,HJLNIKKBYFREEY-UHFFFAOYSA-N
-4C03E5AF92E5F17D_03A18B0FA2A1788C_6029_UN,C1CN(CCN1[S](C2=C[N](C(F)F)N=C2)(=O)=O)C4=C3C=CSC3=CC=N4,PDKXCAWTPMAKCX-UHFFFAOYSA-N
-4ECE20C27DEA348A_591DF366B97B02FF_6038_UN,COC1=C(C=CC(=C1)CN(C)C)OC(C2=C(C)[NH]C(=N2)C)=O,FREJEJZUXADIOB-UHFFFAOYSA-N
-51CF9FC1AB9CAC95_613E56BCDF424605_6029_UN,C1CN(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C5=C4C=CSC4=NC=N5,ANKFCJKLGPWQMA-UHFFFAOYSA-N
-51DE279A22472492_122335CC010B7B25_6004_UN,C2(=C1CCCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,YHVRPSNBZMGVGT-UHFFFAOYSA-N
-55BB0E8CB210F0CD_9A019CE59621270A_6034_UN,O=[N](=O)C1=CN=C(I)N1CC3=CC=C(N2CCN(C)CC2)C=C3,IBPBYGDPLBXKEK-UHFFFAOYSA-N
-55DC4C9F5CF2433F_3863E3C4C5FD249A_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=CC=NC=C3,SHFKDSIJAZHGFR-UHFFFAOYSA-N
-56CEF52946275346_FC713B69CE74F698_6003_UN,CN2CCN(C)CC(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2,QIPQGHGARWENSQ-UHFFFAOYSA-N
-5D63B3132B846337_C1F5FB7FCEF67BEC_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=NC(=CS4)C5CC5,OLISWBQPCSYLBM-UHFFFAOYSA-N
-5E07095DCF34C45F_2E130E3A39046C93_6036_UN,C(C1=CC(=CS1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QRUDMNMOWPMNIO-UHFFFAOYSA-N
-611383ABAAC71189_77AD83DE3CEE7662_6029_UN,CC1=CCN(CC1)[S](C2=CC(=C(OC)C=C2)CBr)(=O)=O,BRCJYMWQWPWRRP-UHFFFAOYSA-N
-6117E234DE739C7C_E2B51200E2855EA6_6029_UN,C1CN(CCN1[S](C2=CN=C(OC(F)F)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,BAKJBAKGEFWIND-UHFFFAOYSA-N
-63ADF7D8328F5FC0_1A027E4F66775A29_6028_UN,BrC1=CCN(CC1)[S](C2=C([C@@H](C)N(C)C)C=CC=C2)(=O)=O,CYIFZKASVXSJAA-GFCCVEGCSA-N
-64107714C25CA660_A77A374BABC5B375_6029_UN,OC1=NC=CC(=C1)N2CCN(CC2)[S](C3=C(CC(C)O)C=CC=C3F)(=O)=O,QAKUYBWBAJLDQQ-UHFFFAOYSA-N
-64B922AE0906476C_DFADAD066D55FF5D_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=N2)C(F)F)C)(=O)=O)C4=C3C=CSC3=CC=N4,AXSZZNZCMHHRMF-UHFFFAOYSA-N
-6B0F2F18476F0CBD_4E6752B092CB18C2_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)Br,BLUICGGTRXATAM-UHFFFAOYSA-N
-6DAA19977CCFB90D_6E94A407201C6476_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=C(C=C(N2CCN(CC)CC2)C=C3)C)F,AKDWGYYGUKLXHO-UHFFFAOYSA-N
-6EE68F3EB16E1588_277E875B2D31F34E_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4)Cl,IXICCGMVEZPNRX-UHFFFAOYSA-N
-6F09562FAA75537F_3FC1346AD489D2D3_6041_DP,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(=C3CNC3)F,SKVZSMCTDZRFKJ-UHFFFAOYSA-N
-70056C7E91722E78_C885921DDDCA17F3_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,DEKHHLLIVFROSU-UHFFFAOYSA-N
-7466E06791C5E2E7_16FEDB03AB87B015_6029_UN,CC1=C(Br)CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,DAYKAIWRDPKXLD-UHFFFAOYSA-N
-77A1E12F8C110287_36F1BE5452BC2F9C_6029_UN,FC1=C(C(=CC=C1)F)N2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,LGANZTROECOYSH-UHFFFAOYSA-N
-78E3F113376EDED9_9640D1A3CBF11608_6029_UN,CC1=CCN(CC1)[S](C2=CC(=C(COC)C=C2)F)(=O)=O,JITJURKEQMUSLW-UHFFFAOYSA-N
-797077A00431CAA4_5D04173D0D851805_6003_UN,CC3=C(OC1=CC=CC=C1C(NC2=C(C(O)=O)C=CC=C2)=O)C(=O)CC3,IOVABRMBBFRNCX-UHFFFAOYSA-N
-799670AF3D785624_75964AB7D8560C44_6003_DP,N2CC(OC1=CC=C([S](CC)(=O)=O)C=C1)(C2)C(F)(F)F,XZUCZQWEFFKBQP-UHFFFAOYSA-N
-81B1EC0923F678D8_0D2E0B53FBD938C6_6003_UN,CNC(=O)C1=CC(=CC=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,XZCWXTHLOGAKLR-UHFFFAOYSA-N
-84007BBAA9CA1A54_6CFC831BA7C52DAF_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4)Cl,HOXSRYBVOBSNOA-UHFFFAOYSA-N
-84742A6252C52D22_1A3455A8BDE699AF_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Br,GPOPETKKYCDZFE-UHFFFAOYSA-N
-849ACEE8C2B11513_B00632408A869ED7_6029_UN,C1CN(CCN1[S](C2=CC=C(SC(F)F)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,AFYODXADYJTQFK-UHFFFAOYSA-N
-876AED3AD4905F81_00394AFB1F5AD741_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(CC(C(OC)=O)=O)=O)C=C2,RYRADGBEFXCISV-UHFFFAOYSA-N
-8A1C18852E969B57_B5931DE939E8C627_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C(CC(C(OCC)=O)=O)=O)C=CC=C2,FCUDKOUWDFTZFS-UHFFFAOYSA-N
-8ADE09A4907195C5_2AAD351ACA80879E_7017_UN,N4([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)CCN(C3=NC=C(C#N)C=C3)CC4,IMXDVYVZDYPFFZ-UHFFFAOYSA-N
-8F3606918B29DDBC_A2EBEAC500E07276_6038_UN,CC(=C1C(=NC(=C1C)C)C)OC(COC2=C(C(N)=O)C=CC=C2)=O,XXZADSFFWJGYDS-UHFFFAOYSA-N
-92267A55D1AACB80_36AEC3ED748BE46F_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4)Cl,FXKGONIVWQCTMI-UHFFFAOYSA-N
-92AAE047011784DA_16210AFCF274D4C6_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,JHNJUHBFZISSPI-UHFFFAOYSA-N
-93221FBE1FA9671C_4A524EEF4B473D70_6026_UN,CC2=C(C=C1OCOC1=C2)[S](=O)(=O)N6CCC(=C4C3=C(C=C(Cl)C=C3)CCC5=C4N=CC=C5)CC6,AWDDPWFCQKMQQW-UHFFFAOYSA-N
-959FCB0FF36F26B3_F79BC789500A2313_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=CN=C2Cl)(=O)=O)C3=CN=CC=C3,HFMNITYAMNCZND-UHFFFAOYSA-N
-96F6267CFA85361F_D1682866E5D532F7_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,ZHWCYSRHCBFENW-UHFFFAOYSA-N
-9E43BC0F9527D9C7_66B070099FBC17AE_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,WMXHNODICDMUBM-UHFFFAOYSA-N
-9F231C6F0683CF60_1000A1275E1A4D29_6038_UN,CSCC[C@H](NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=N[NH]N=N3,FLTXAERMSVCRGB-JTQLQIEISA-N
-9FCE49FDC21E7635_3F3C4E1702ACD64D_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)OC(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,CDEIVNFMFBJHTQ-UHFFFAOYSA-N
-A1564878B320D6C4_B1304E06ECFCE137_6026_UN,ClC2=C1C=CC=C(C1=NC=C2[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4)Br,UMZUKOKNTCZKCN-UHFFFAOYSA-N
-A2711FF804203011_D60D3ED86B010FC2_6029_UN,CC1=CCCN(C1)[S](C2=C(OC)C=CC(=C2)C(C)(C)C)(=O)=O,SGWVQBWSBLGLLS-UHFFFAOYSA-N
-A27E435916F80075_3641893E56F71C43_6029_UN,CC1=C(C)CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,ADZKKKWSCJLPAL-UHFFFAOYSA-N
-A4653AC375F6B580_9FEF6E40FA5954C5_6033_UN,O(C(=O)CN1C(=O)CNC1=O)CC(C(OC)=O)=CC2=CC(=CC=C2)Br,LUOYEDUCXKFLLG-UHFFFAOYSA-N
-A52BAD39CD3C76EC_327778429452F165_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC=C3)CC4)Cl,ZFPZYFFGVIEOEX-UHFFFAOYSA-N
-A69835CC352676EA_09ECBF2B2AF181C9_6038_UN,CC(CNC(CCC1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,AIKXTJMYFVBXJQ-UHFFFAOYSA-N
-A7A33C6954C323FE_B7F8F76EBB7CD706_6035_UN,COC2(CC(OC1=CC=C([S](C)(=O)=O)C=C1)C2)C(F)(F)F,YIOYTLSYAWICLM-UHFFFAOYSA-N
-A95C6778F5A03071_B95089C3C8F38A5B_6039_UN,O(C1(CC1)C2CCCCC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,RDZNFAFRVQXTSW-UHFFFAOYSA-N
-ABD82CBFD6C277A4_019FC735EC55C112_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,GMXJMJOWSDRATE-UHFFFAOYSA-N
-AC2AD9EE7231AF00_FF49EACAAE78C51F_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,HKUPOGNNBCCLIL-UHFFFAOYSA-N
-AD6071FDBD958EB4_1DCD9393C7054D36_6031_UN,O(C(=O)CN1C(=O)CNC1=O)CC2=CC(=C(C(OC)=O)C=C2)C,MYNLASDQAFXTEB-UHFFFAOYSA-N
-ADC292A1859E2D27_ABB1F78C7374EE29_6003_DP,N2CC(=CCOC1=CC=C(C(C=CC(OC)=O)=O)C=C1)C2,BSZJMSDVFBBDOX-UHFFFAOYSA-N
-B1A192B7322695FA_B3BCA1C1F8B45981_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCCC4)C)C5CC5,YQFFYJCWHWENTD-UHFFFAOYSA-N
-B3BA471E71FC5DF6_E279BCCB4C43BD0B_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4)Cl,GXBBNOAGRDXQET-UHFFFAOYSA-N
-B3BF9CED63306A3A_D2C3677EE213B824_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CC=CS5,PSWDLKPAYWUYCO-UHFFFAOYSA-N
-B58544E7D92A915D_192D095CC4EAB335_6029_UN,C1CN(CCN1[S](C2=CC3=C(C(=C2)F)CN(CC)CC3)(=O)=O)C5=C4C=CSC4=CC=N5,SJTZJJWCFPOVOU-UHFFFAOYSA-N
-BA94EC61F5BCEEA2_0696E2B6F2F5BC02_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4)Cl,SAZARVUINJIBKD-UHFFFAOYSA-N
-BD2D8434ADD405F2_8202B0EFA43CC3FB_6029_UN,BrC1CCN(CC1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,SRWQLYIZLZHLAD-UHFFFAOYSA-N
-BD8380847F9C77D1_8960C39263F9BAB5_6029_UN,C1CN(CCN1[S](C2=CC=C(OC(F)F)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,OOZATOFOTDMBCR-UHFFFAOYSA-N
-BE21AE4C0409C54D_143CDACC37E33895_6029_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O)C=CC=C4,ICOZCUKCWKFXND-UHFFFAOYSA-N
-BEC4299562B32E1F_6B7E602896CFCC2E_6028_UN,N(N1C(CC1)=O)[S](C2=C(C(OC)=O)C=CC(=C2)F)(=O)=O,DYGBRWNCKWCXNP-UHFFFAOYSA-N
-BFF0DEC680B1971F_EE25D0E4422914D1_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=CC=NC=C3,DTXNHKLOXKONQI-UHFFFAOYSA-N
-C011937DD95956AC_526E48C1BB54B77F_6039_UN,CC2=C(OCC(NC1=C([S](C(F)F)(=O)=O)C=CC=C1)=O)C(=O)CC2,FFSHPPSJFJHMLK-UHFFFAOYSA-N
-C27D54AA1AADE7CC_6EC7A47A62C9D875_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,OXOZKYPJDZXFOO-UHFFFAOYSA-N
-C392D46B36BA5104_3C686E3CC5285AC2_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=CC=NC=C3,OYBIREALMMVWMU-UHFFFAOYSA-N
-C8D6ED7B1A309A97_38F976CD1B8C3630_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,OKWPKDFNGNHLBN-UHFFFAOYSA-N
-C9AB6B7E546B9F6C_7FBD1C16C6D69091_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(OC)C=C(C=C3)OC(F)F)(=O)=O,ZCYUCQGHQQEYJE-UHFFFAOYSA-N
-CAF625BD9DD1719F_876A06AF89F6F790_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC=C(C)C=C3)CC4,YABBTSQZUZMNRP-UHFFFAOYSA-N
-CB05AB7120BB18AD_05DE050CE42502FC_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)CC(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,UYJLFHSAEIDFHW-UHFFFAOYSA-N
-CEF1D951DDE38277_207BDA24D08428C0_6029_UN,C1CN(CCN1[S](C2=C(OC(F)F)C=CC=C2)(=O)=O)C4=C3C=CSC3=CC=N4,QXLYVQFKNPVLSK-UHFFFAOYSA-N
-CF39081217B23A98_FE8E97E0183E6237_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)C)F,SXABQERKEBXWAT-UHFFFAOYSA-N
-D02CFFB140D323E8_848CFEC302153E8B_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C=CC3=CC=C(C(O)=O)O3)=O,XFVULOXONCXOLA-UHFFFAOYSA-N
-D4E03E7E30EEE8E5_5B7D37C445981FE5_6031_UN,CC1=C[N](N=C1)CC(N)C(=O)OCC2=NC(=C(C(OC)=O)S2)C,TZPVGNGMNZOBDV-UHFFFAOYSA-N
-D859038C3EEEDFD0_47B6A3BA0060F267_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C)C=C3)CC4)Cl,PNLFSVSYXFOKKW-UHFFFAOYSA-N
-DA89BD97D1AB4FA0_0D4163708C663739_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Br,JPVZARNJDYDIMS-UHFFFAOYSA-N
-DBA4419A44DFB8AB_EA1ED52C6A4CA07C_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=CC(=CC=C2)C3(CC3)C#N)[NH]4,LZODYTLLBVRFQR-UHFFFAOYSA-N
-DF1132186125C6C7_0DCBF4847C89B339_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4)Cl,KWXYDGVPUMVBNM-UHFFFAOYSA-N
-DF16A37F033DAC62_209542230AEFB021_6029_UN,C1CN(CCN1[S](C2=CSC(=C2)C(F)F)(=O)=O)C3=CC4=C(C=C3)OC=C4,BDHZEUBEUSHRCW-UHFFFAOYSA-N
-E09BE8309D093726_F8AA76C71E0B5FE0_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=C(C=N2)F)(=O)=O)C3=CN=CC=C3,JEAPNYQVXFBFFN-UHFFFAOYSA-N
-E0E87930A65B5E74_C0976CCA0C22B193_6041_UN,FC1=C(N=CC=C1NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,BDLTXXPKYHWKNA-UHFFFAOYSA-N
-E47C9509D9959E12_B617142263D13AC6_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,VSJGKFLDVSNIAI-UHFFFAOYSA-N
-E4F82B6741FA029D_264E64F671B3A5D6_6035_UN,CC1=C(C(=CC=C1)C2(CCNCC2)OC3=C([S](C)(=O)=O)C=CC=C3)C,CSDGUMMDICXOMZ-UHFFFAOYSA-N
-E665246DE9DD45C4_84757BADE2202CBF_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,UJEXPMCIHHTWBF-UHFFFAOYSA-N
-E88C56C7DAA159A7_5BAFBA12962BB9BD_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,AZHBLTHXFKBPJB-UHFFFAOYSA-N
-EAC0ECF1EBD3ED3A_CD92967C0FC77B4C_6003_UN,CC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)(C2CC2)C3CC3,VARPJPDVTGJGKM-UHFFFAOYSA-N
-F080F2DE2C19C453_8BDC8B53146960B0_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,LEXOKKKRVXOKLO-UHFFFAOYSA-N
-F09F4D72A39D2E4B_A559FB9BA56EEDF0_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C(C3CC3)C4=CC=CC=C4,UNIZRJRJYLCYHY-UHFFFAOYSA-N
-F0D0ED9BC8F134D0_8F5F75673ABD2AD5_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,XYOBDCBMVUXKJP-UHFFFAOYSA-N
-F4CF87112CE9A035_43C455F99C4777F3_6006_UN,CC1=CC=C(C=C1)[N]2N=NN=C2C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,PNPROOJSBLDSNL-UHFFFAOYSA-N
-F54672E262B6B8DA_F71622A7A5FBD04E_6004_UN,OCC(=O)C1=CC(=CC=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3,MAORYMONYSLNOP-UHFFFAOYSA-N
-F7D8A74D089FC764_55224B141F730054_7017_UN,N4([S](=O)(=O)C1=CC2=C(C(=C1)F)C=CC=C2)CCN(C3=NC=CC(=C3)C#N)CC4,BKGZHRHJOUXUGC-UHFFFAOYSA-N
-FA437D9533E9CDC1_E1F1BB5D29D25A12_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4)Cl,MTSIRAXZRDLHLC-UHFFFAOYSA-N
-FAFAF6BE8546025B_296030FC8A329DB7_2267_UN,OC(=O)C(CC#CC1=NC=C([N](=O)=O)[NH]1)N2C(=O)C=CC2=O,KVVMEMAANHWFNS-UHFFFAOYSA-N
-FCE3C3BE26285748_7265C9B01D56143B_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,ZXLHLYDWMPUZCF-INIZCTEOSA-N
-FE92C74325003502_9A015573EF261393_6029_UN,C1CN(CCN1[S](C2=CSC(=C2)C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,ADJWZKUYGVEYAR-UHFFFAOYSA-N
-FF92CCBB21D87B3B_595ABD0AC4BA677D_6038_DP,COC(=O)[C@@H](NC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CC(=O)O,ZYVVSHSAYQVODX-ZDUSSCGKSA-N
-FFC5D827F0CD0235_8EE5339DE41C90BA_6029_UN,ClC3=CC=C(CN1CCN(CC1)[S](C2=C([C@H](C)O)C=CC=C2)(=O)=O)S3,JILZYLPOJXRGPO-ZDUSSCGKSA-N
-02E8F9B16EDC8E59_AF6525FC58E31B50_6029_UN,C1CC(=CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=NC=CS3,YQRNMFXXUXNYSW-UHFFFAOYSA-N
-02EAD4A7B47E8DFA_3E84578A721ED0FA_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=NC=C4,FTMSUBJTCGQFLX-UHFFFAOYSA-N
-0985E704D0B91744_A8A10E07DCD7052F_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCC(O)(CC3)C4=NC=C(C=C4)Br,DVTLLPFQRFEGBO-UHFFFAOYSA-N
-0C0E6265F2D1E654_55D1BF35AD1117F5_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O,MBXANHDVEFNTBR-UHFFFAOYSA-N
-0D0B18D9D1CB5450_D965B04B8E1BAE72_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,WGSUSECQUPZTDM-UHFFFAOYSA-N
-0F11E503DCC20465_E0A294007E3CE4E3_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,IGGIQCZAKAOXOS-UHFFFAOYSA-N
-10D2337C4982BF65_0DE77BFC92E70406_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(CC)C=CC(=C3)C,LJCUPPGFXQZPCB-UHFFFAOYSA-N
-12DBB7E64FB1E58C_D06622CB8B209C7C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=NC=C2)N3CCCC3,OVNDGURDSVUPPS-UHFFFAOYSA-N
-15D8DB6AD7C7E01C_EAD5B4FFFA1AB843_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C5=C4SC=CC4=NC=N5,NASKJSBKIJPMRF-UHFFFAOYSA-N
-170226D870C25F37_F90E40761C818164_6029_UN,C1C=C(CN1[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O)C4=CN=CC=C4,VMIXRAJVWDCMPI-UHFFFAOYSA-N
-17C7431DCC2F1CF0_E04C37F5439DEA41_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C=C3)(=O)=O)C4=CSC=C4,JCYLNWAJDONMAH-UHFFFAOYSA-N
-18914D2A5BEFD9DC_5B023B503D6D8DA9_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C3=CN=CC4=NN=N[N]34,XNKRZBCMLOFVEV-UHFFFAOYSA-N
-1901817E70FEEB0F_FC5F3DF69F224C17_6041_UN,CC3=CC(=O)C1=C(C=C(C=C1)N[C@@H]2[C@H](OC)COC2)O3,DVKNRUXTAOHLJR-SWLSCSKDSA-N
-1DE383D4197DA5DA_8CD9C0B1E243A739_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,WNIZFXGXGIJPHP-UHFFFAOYSA-N
-212073688ECC0DDF_E417F87E5EA3E96F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3=C2C=C[N](C2=NC=N3)C4CC4,KPBFXUCQKCJEOH-UHFFFAOYSA-N
-222F75C8E5A890F9_8CD967CD450F8715_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4)Cl,MHBPCQQUTWVNSP-UHFFFAOYSA-N
-23D2AB348F395D10_12D45142A752396A_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,ZTRSIWAWWNIYFS-UHFFFAOYSA-N
-2499A03D9B8BC071_D7E4780CA2192105_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,KAZJPVLEWFIROH-UHFFFAOYSA-N
-2EE91960F976E706_8578FF0CB07E34C6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,TYHVRZCFCYDGHT-UHFFFAOYSA-N
-33C94227C1F62D14_54424F991290FE23_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,CVBCLWAMDRNKTM-UHFFFAOYSA-N
-35330C9DC7EA910F_513D2BB175A6100F_6029_UN,C1CC(CCN1[S](C2=C(F)C=CC3=C2C=CS3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,FXBHCWRVNXJWRI-UHFFFAOYSA-N
-35FDDB99457CAB14_52EB80062AA3FFC2_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CSC=C2,RELVRYKJAYRJTF-JTQLQIEISA-N
-3A87E2680331A66B_98F0CF36C19386A1_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,ABRLPOJQXPUIFG-UHFFFAOYSA-N
-3E3F2993803736E4_12B63C3030701199_6036_UN,C1(CCN(CC1)C2=NC=NC=C2)N([S](C)(=O)=O)CC3=C(C=CC=C3)Br,PMYOOAMTFHVXQZ-UHFFFAOYSA-N
-3FF0E85406E720BA_0B6D6E933AA2EDB7_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=N[N](C)C=C3)CC4)Cl,UJVCATDQBZDXFC-UHFFFAOYSA-N
-401F0C7C776920BB_E1442918C57D2F4E_6029_UN,C2CC1=C(N=CN=C1)CN2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,AOYSMSAUCXXMHH-UHFFFAOYSA-N
-418C6F6090E0BB2B_BA9E187DEFA8885C_6029_UN,CC1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C4=NC(=CC=C4)C,YPGVCDABCWVSKT-UHFFFAOYSA-N
-44C37332F948B113_0821EE5863469ACD_6041_DP,CN(C)C1=CC(=C(C(=C1)C)NC2=C([N](N=C2C)C)C3CNC3)C,JRZAFRHKPAYBGW-UHFFFAOYSA-N
-47E6DA3E2E4913E1_5118B857911EDD12_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,OPTBUSSXCNHFEW-UHFFFAOYSA-N
-48069C8E20C49480_F23A550E699C8E30_6034_UN,BrC1=CC=C(C=C1)N2N=CN(C2=O)CC(N)CC3CC3,UFVOHPPLLMASPQ-UHFFFAOYSA-N
-48FDFEDAF0ABFB24_CB6093A7E06F9083_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,ZGFIXTCVNWFUCY-UHFFFAOYSA-N
-4CE719CEEE022DDB_DBC4E5BEDA9E9D62_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,HSUCACKUOPSISQ-UHFFFAOYSA-N
-4D124E7753B7057C_2491814892FCCC1D_6038_UN,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C3CC[Si](C)(C)C3)=O,PEADDDJDOPORSG-UHFFFAOYSA-N
-50AB9A3B52857FF4_8AF886E05B18AC5B_6029_UN,ClC1=CC(=CC=C1)C2CCCN2[S](C3=C[NH]N=C3C4=NC=CS4)(=O)=O,YAFFCTBWLHQJLG-UHFFFAOYSA-N
-5110F7B2E63DBFFA_727AEF91D5A8F8E4_6029_UN,ClC1=C(C=CC=C1)C2CCCN2[S](C3=C[NH]N=C3C4=NC=CS4)(=O)=O,ZTBUERBMTNLXDE-UHFFFAOYSA-N
-51EED96EA5E55718_76CE73DBE4E0DEEE_6029_UN,C1CC(CCN1[S](C2=CC=CC(=N2)C3=CC=C(Cl)C=C3)(=O)=O)C4=CSC=N4,JTUSYZWJOLZIQK-UHFFFAOYSA-N
-56B17ADA4CA8F004_90F08D402BE7ED4E_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CC2)[N]3C=CN=N3,WHFYLICQPZWCEG-UHFFFAOYSA-N
-56E21B54CB24707B_4657E171D379C9BF_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4)Br,IQLMUGMXAQFIBX-UHFFFAOYSA-N
-56F012844A3125DB_00B9E5B8CDDF42B7_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,BFCVMRKYGGZZKH-UHFFFAOYSA-N
-57EDD4A2904D6D5A_F58753A23F692701_6029_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=CC(=CC=C3)OC4CC4)(=O)=O,GTRGVBMOPTYCMV-UHFFFAOYSA-N
-5A227BDF7DD5C109_F147463E2E584C75_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCNCC4,BGCQYSHZCWQJTR-UHFFFAOYSA-N
-5BFFB87A9AD1FE6E_961FCD952598D6E3_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC=C(CC(C)C)S3)(=O)=O,VKOKZEXGMNBZNU-UHFFFAOYSA-N
-5EA3ECF46B2587D6_74F834546929F7F6_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4)Cl,FVQUZHCJCBSIGR-UHFFFAOYSA-N
-5EED4F47262C50B0_9D62590AEC305017_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,CNCKLDMZSJMQDB-UHFFFAOYSA-N
-6375998DB5D546BD_E0EF8C0B2A6A0AAD_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC=NC(=C2)N3CCCC3,GAZANMNESSOMQW-UHFFFAOYSA-N
-651FBE0B2C78652B_4BB918C452E6097D_6029_UN,C1CN(CCN1[S](C2=C(N=C(C(F)F)C=C2)Cl)(=O)=O)C3=CN=CC=C3,NRZSYWSACBNKEI-UHFFFAOYSA-N
-667617C6ACBBB84D_2330FBCD735C8F16_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3=CC=NC(=N3)N4CCN(C)CC4,RZMVKTWMPSEFOZ-UHFFFAOYSA-N
-67038E670F18BCF0_BF750A9F11A3E2BE_6029_UN,CC1CN(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=NC(=CC=C4)C,WUDGXERNGJPJGA-UHFFFAOYSA-N
-673854855946D1EF_88641CFEFCCE18C7_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Br,DSYYMSBOJCLYCN-UHFFFAOYSA-N
-69CBD0AB952A649E_B5E76CFDE3E064B4_6038_UN,N(C1=C([NH]N=C1)C#N)C(C(C)C[N]2C=NC3=C2C=CC=C3)=O,UORNMKOSPKGCHW-UHFFFAOYSA-N
-69DBE907C0A6862E_2B92C44BA5239B8A_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4)Cl,FYIWTZLYICBPPV-UHFFFAOYSA-N
-6DF34100C1BC7461_A674E900763C583E_6029_UN,OC(=O)C1=C[N](C=C1C2=C[N](N=C2)C3=CC=CC=C3)[S](C4=CN=C5CCC[N]45)(=O)=O,GICFHZALOKVCKX-UHFFFAOYSA-N
-6EDDA64293DACF5A_01310403B801C019_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=C(N=CC=C2)OC3CCC3)(=O)=O,MRRHONRRTAVRJD-UHFFFAOYSA-N
-6F56557E36550783_EA5F8BC40054065A_6028_UN,C1CC(CCN1[S](C2=CC=C(Cl)S2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,ACCYAZCMNFTHPY-UHFFFAOYSA-N
-718D514EEF3FB091_EEBB24464FDC4819_6029_UN,OC1CN(C1)C2CN(C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,KIXWNXLKTPQSNV-UHFFFAOYSA-N
-71F03AAD2EDFFC03_FF7D64C3590CC95B_6029_UN,C[N]1C5=C(C(=C1)C2=CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O)C=CC=C5,GQPKVFVILYGTEZ-UHFFFAOYSA-N
-73225BCCB3CAB07E_2266921E768E694F_6029_UN,ClC1CCN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,JCFQSHNVPRUXFZ-UHFFFAOYSA-N
-74516543FA62D117_322FA9390C240FD3_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,BHNKYTGKDFESHI-UHFFFAOYSA-N
-7ACEDD08F5EF95F3_F55E539B5C146F15_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,VBOYZUWJNIQBBM-UHFFFAOYSA-N
-7F447E925DA3604B_C1C7C037DC16F20F_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,OSRHIVQBTIPUQZ-UHFFFAOYSA-N
-80CD3F90C81C76AE_CF6B1FD2D466EDE6_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,SUEXADJTPXZNAL-UHFFFAOYSA-N
-8483EC1561D3312E_3FE81EB79EA7443C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CC2)[N]3C=NC=N3,OXXWGYMIAWRBHY-UHFFFAOYSA-N
-88222C97C396261A_9931D59F02C35419_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,XSGPIFBCWRKURW-UHFFFAOYSA-N
-8857ADB4EA2E667D_E85A51C2FA14631A_6029_UN,C1CC(CCN1[S](C2=CC(=C(F)C=C2)C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,MQMCIXYQVLGECU-UHFFFAOYSA-N
-8C63F90FF6ED3FAA_09BA4EDD7B829317_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)C4=CSC=N4,WKTYFCANZWGPIU-UHFFFAOYSA-N
-8F1F2CEF05A2A623_B0FAB4C9FF46E25F_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,HQQKBMYEITVZKG-UHFFFAOYSA-N
-919477CBDD4EE6AD_56C332B9EE2457D9_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,UXJARZLMDHETDG-UHFFFAOYSA-N
-933ECB07923E36D2_1B71F249BF9C664D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC[C@@H]3C[C@H](N(C)C)C3,UOVIGORUJOKZLZ-KLPPZKSPSA-N
-935FF46F8F74FFA7_7892EC78C47639B5_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC=C(C[S](C)(=O)=O)O2)=O)C=C3,RHDIYBMHISQJNE-UHFFFAOYSA-N
-9583729C10124BF6_63389995E3FDC722_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)C2=CC=C(C=C2)C[S](=O)(=O)Cl)C=C3,SPJVPLZYPGNNBJ-UHFFFAOYSA-N
-968AF6DF096C3857_737D2277CD38FDFA_6043_UN,CC1=CC(=C(C=C1)OC2=C(C=CC=N2)C#N)N3[S](=O)(=O)C=CC3,KXPVOXWJBIQQIX-UHFFFAOYSA-N
-97217460E13955BC_E7941528C3F14C9E_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,LIPKIEFRJNFDEJ-UHFFFAOYSA-N
-99FA01298B798FA0_AF7E6E5DDCD1DA31_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=NC=CC=C4,NSTVTNXUTMFRAI-UHFFFAOYSA-N
-9B99DD532159AA2B_CDC2A837B5C0C8FC_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(COC3CN(C(C)=O)C3)=O,GZIDLWTYYXCBJV-UHFFFAOYSA-N
-9EC58E68C61C8D94_C55F560F4CC2373B_6029_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=C(N=CC=C2)OC3CCC3)(=O)=O,KPIMAWPJPPCCIB-UHFFFAOYSA-N
-A614BACE910EA577_3FBA3380407A81A6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,SNCKZEBSFQQVCH-UHFFFAOYSA-N
-AC8DCB56743AD9EE_068F3DD9BB2CE565_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC=NC(=C2)C3CC3,LBVHSTNLKAYSHP-UHFFFAOYSA-N
-ACAD85045B2534C2_391BCE3022FAA82D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=NC=C2)C3CCCC3,FZIUNHBBFNOKER-UHFFFAOYSA-N
-AE9AF2A1E720F909_7608860E9F98C126_6038_UN,N(CC1=CC(=O)NN1)C(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,HJWOJACXCMGYTE-UHFFFAOYSA-N
-B001F685EFD90C94_D65A14AFEF61C498_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=NC=C4,KBPCNJXQISUENX-UHFFFAOYSA-N
-B010D649C954CE38_254A41A15FBF7508_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,BZKKDXSWVSUKNB-UHFFFAOYSA-N
-B118AFED51FB080C_BB735482780A986C_6036_UN,C1(CN(C1)C2=NC(=CN=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,LNMZZCZVWPEWIE-UHFFFAOYSA-N
-B15E6076D05D46C1_7535E8020FFDE41A_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=NC=CC=C4,BZDNVUUPOHYRKO-UHFFFAOYSA-N
-B24CD0ED320B0117_F1632F4E8C071A32_6028_UN,C1CC(CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,ZHVHDPUIFMVTFL-UHFFFAOYSA-N
-B31E8748A2779294_2D874595AC003118_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C3=NC=CN=C3,XGAIEBTXIUCZDN-UHFFFAOYSA-N
-B4C05F67960D1EED_A082BD945AD35F9C_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,ZFZGMBRISKIILL-UHFFFAOYSA-N
-BDCCE2D15B6E6343_3479DAA794219B79_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)[C@@H]2C[C@H](C2)[N]3N=NC=C3,UQGSFSOTWCSRHV-MGCOHNPYSA-N
-C263BD0871165AF9_5AA6AC469201D3D6_6041_UN,C2(=C1C(COC1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,XGZBCWHQTMIGBU-UHFFFAOYSA-N
-C2A476B1023240AE_3FA35B99FBF27A2A_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(C=C3)C4=CN=CS4)(=O)=O,MAINYGQHFMOVPQ-UHFFFAOYSA-N
-C40A533FE5EA26B5_E5CC35A04EEEAFD6_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4)Br,AQPXUEIKLWRCGG-UHFFFAOYSA-N
-C5BC19D1D0F21AA1_C40D026D7FF26F5B_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=CC=NC=C4,DIIOVJXNJCYHMI-UHFFFAOYSA-N
-CB38415AC8E716A2_BAC0A8A80B235691_6029_UN,C1CC(CCN1[S](C2=C(Cl)C=CS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,HAAUMNWLPGZJGX-UHFFFAOYSA-N
-CE8616EB356BB71F_4FA20DBACAA6EE1C_6038_UN,CN1C(O[C@@H](C1)CNC(C2=N[N](C(=C2)C)C3=NC=CC=C3)=O)=O,NYKBAACXAXPIOI-LLVKDONJSA-N
-CEF1961E84375A51_E42CB24802B9026B_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=C(C)[N]2C(=NC=C2C=C3)C4CC4)=O,NHEWZLSGSYPKGL-UHFFFAOYSA-N
-D073E54D79C1255D_536EF08CE45833DB_6029_UN,IC1=C(C=CC=C1)C2CCCN2[S](C3=C[NH]N=C3C4=NC=CS4)(=O)=O,GWQSEBHDPWNEIN-UHFFFAOYSA-N
-D0A69617C5F8DAE6_AD6E04109624679D_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4)Cl,ZDXAATFRUKIFSQ-UHFFFAOYSA-N
-D0E8F58F6A03853E_6CF8FA19B91F54A8_6026_UN,ClC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,VMHBMURQFYETIA-UHFFFAOYSA-N
-D3C113077C288C72_831E42745F0A2A2E_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CC2=CN=C[N]2CC3,IZDQHIQOKUWFQC-UHFFFAOYSA-N
-D4C487B2FD5B1D38_DE8D8555558D9A82_6043_UN,C1(=CN=C(N=C1)C2CCC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,YJTFWQLCZQPXLP-UHFFFAOYSA-N
-D68295CFBD829E44_F25ABAFF4970165C_6034_UN,C1=CSC(=N1)C2=NN=CN2CC3(C(OC)=O)CC=CC3,UFPMRGSWNSSMLK-UHFFFAOYSA-N
-D76A57ED3FBDCFF2_331AA69B47E18900_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,VKQYOUKNAFUUAV-UHFFFAOYSA-N
-D791DFCDEE85FEBE_A9A423622E046BF8_6041_UN,C1(=CC2=C(C=C1)[S](CC2)(=O)=O)NCC4=C(N3CCCN(C)CC3)C=CC(=C4)F,PYXKEWUBSVXVFQ-UHFFFAOYSA-N
-D9772573BA7E600A_AEB34C2D55235356_6038_UN,N(CC1=CC=C(C=C1)C[S](=O)(=O)F)C(=O)C3=CN2C(=NCC2)C=C3,SKJYAXCZBKVAFW-UHFFFAOYSA-N
-D9893683FF0518EE_B948FEC6963C27B2_6041_UN,CC1=CC(=CC(=C1)C)NC2C3=C(OCC2OC)C=CC=C3,YFJVTLUVVZMRAI-UHFFFAOYSA-N
-E0B2A4DDC0424310_B08EA30F127CFEB9_6029_UN,FC1=CCCN(C1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,ZFTARDDPKGRJBT-UHFFFAOYSA-N
-E41E44C4112E2850_C60BFF5C47A122B1_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,LQSCYYCJDHQTIR-UHFFFAOYSA-N
-E6BF90EC2214B647_089F933B02A47E33_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,TUFAALLXXANVID-UHFFFAOYSA-N
-E89CAB506E5DF0BB_A41E37B4238FE9FA_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)NCC3=CC=C(OC2CCN(C)CC2)C=C3,LEJIUAHIBRLZCZ-UHFFFAOYSA-N
-EAB7D1C18684FA3E_B1AD6474E9D5BFC6_7015_UN,IC1=CC(=CC=C1)N(C2=C(C=CC=N2)C#N)[S](=O)(=O)C3=CC4=C(C=C3)OCCC4,RGWBVTHNRGLQFT-UHFFFAOYSA-N
-EF9850D8BE162E75_EB4636F643FEFFC8_6029_UN,C1CC(CCN1[S](C2=CC=NS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,XRVJRXCAAQWOCG-UHFFFAOYSA-N
-F090767382F6C179_37693BD5DFF2214B_6029_UN,C1CC(=CCN1[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=NC=CS4,RUBYSDONBROSAH-UHFFFAOYSA-N
-F13C410FF8E44208_1E9EF152FA3036DF_6041_UN,C2(=C1OCC(C1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,FUGGIQGVGPDKIS-UHFFFAOYSA-N
-F2155D0847F67CDB_7CD6AF987EA0C265_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(Br)C=CC=C3)CC4,DVNWRLFQPGDFOX-UHFFFAOYSA-N
-FAB299DB2BC79BF7_4A9B4A18A69078A5_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C4=N[N]3C=NN=C3C=C4,YGGMVEKXXNWYBA-UHFFFAOYSA-N
-FC959391A30D9831_049274810C889343_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,BFBRDZWKJZSMCG-UHFFFAOYSA-N
-FD4CAEB2A8A0B6E8_303C0F003E892108_6026_UN,FC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,SNFNPKXPRHVUGI-UHFFFAOYSA-N
-01191437B9820CC2_EA4BC53BFF309A68_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(CO)C=C3)(=O)=O,ZUUZCNNDMXKCDB-UHFFFAOYSA-N
-0322441A9DD7463A_9741FD503A64BA35_6029_UN,C1C5=C(C2(C1)CN(CCC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O)C=CC=C5,AJWZWJGGSZCSBU-UHFFFAOYSA-N
-04598B82B6B7C05D_8A3591331258C112_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3=CC=C(C)C=C3)C4CC4,AKERJGOWDCYSRJ-UHFFFAOYSA-N
-0471B2515C30C109_65A83C336936D84F_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=C(C(C)C)C=C2)F)(=O)=O)C=CC=C3,SAZYITSZCDAVRB-UHFFFAOYSA-N
-052F54942BC753E6_78C109A0960023D5_6004_UN,C2(=C1CCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)(C)C)O,WPKSDGFEOTYCTD-UHFFFAOYSA-N
-055A124C43E7B543_6FCDD4CD0F29B27E_6027_UN,BrC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,JDFYFBXGIYDPLD-UHFFFAOYSA-N
-055A124C43E7B543_6FCDD4CD0F29B27E_7015_UN,BrC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,JDFYFBXGIYDPLD-UHFFFAOYSA-N
-067A110E19FF432C_DBD608D85063FD29_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4CCC(C3=CC=C(C)C=C3)CC4,QWNKWIYEGSJUJM-UHFFFAOYSA-N
-0843E11558D129D7_7A246319BE8CCD58_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=C(C)C=CC=C3)CCCCC4,DTDSXROIJPCVMA-UHFFFAOYSA-N
-0872AFA8F4B09399_2C3CCBF563459759_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC4=C(C(C)=O)C(=CC=C4)C,YXFFRUKOIRUFJF-UHFFFAOYSA-N
-08F5D0FEC9E73AD2_E26AEA7FD803F6DA_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,DCKVVUNXDSVGKL-UHFFFAOYSA-N
-09FA0928B41F9872_CA5124F3BFD00F2F_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)=O)C=C2)F)=O,IYEMYFKLFVWIOG-LLVKDONJSA-N
-0CCFF24F77D5051C_982E466EBAAB1087_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,VYRRYDCFQOWPPM-UHFFFAOYSA-N
-0EC9DC2BF935B1E0_E2354F7AB8FB4C42_6006_DP,COC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C3=CC=C(O)C=C3,CWWNBQYUPNCUBL-UHFFFAOYSA-N
-10375CBA4A019D9A_EDB2778DA5C8E2FA_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCC4,VLZYOBGMFIMZBQ-UHFFFAOYSA-N
-1077514F8EFE2F4C_845A42010894CE17_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,YWEBXRDBJKWTNU-UHFFFAOYSA-N
-124C307CB219F017_46E44BBCCC160817_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(C)C=C3)CCCCC4,CFBQJUKAVMHWFS-UHFFFAOYSA-N
-130DFCF7854EDED0_F32B72CCEA96B4C1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CC3=CSC=C3,NQMCSVGRGDMLAA-UHFFFAOYSA-N
-15B0E39EED2A7415_6C35E30968116274_7015_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,DSCRYNWATMDLHD-UHFFFAOYSA-N
-15C5E91E3556CB76_BF844515DFC7F7B6_6041_UN,COC1=C(C(=CC=C1)NC2C3=C(OC2)C=CC=C3)OC,CFOVLUUXCXPJMO-UHFFFAOYSA-N
-162200D19D932323_6F690AF7CCCDB93E_6029_UN,C1C2(C1)C5=C(CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O)C=CC=C5,SJMIROAMTKSKJH-UHFFFAOYSA-N
-195F46A877764056_642E633E3B904824_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C(C)=O)C=CC=C2)=O,RHFDCXGAHHRYMZ-NSHDSACASA-N
-19FD06EED42B65EB_487724BC73C13445_6038_UN,N(C1=C(C=CC=C1)OC2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,PFBVZVVLZOGIDS-UHFFFAOYSA-N
-1A0E0F318F3AA488_44E7A15132B3CB19_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(OC)C=C2)F)=O,XVZBQFNZLQLAGX-JTQLQIEISA-N
-1AC71A2D00F76FDE_3A2B93ECD185FB9C_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(C(C)=O)C=C3)F)=O,OBSLQUWDMDMPDO-UHFFFAOYSA-N
-1BA94BFF7369174A_2560A96800E90A69_6027_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WXMZOJCVYUGTBL-UHFFFAOYSA-N
-1C393304B91A5D04_4C00B12BF9BD4407_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)Cl)=O,YPPKGPPSVBIDNP-UHFFFAOYSA-N
-1D7D9FCEE27A1B74_2E83D4F918343E06_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=C(OC)C=CC(=C2)C)=O,NZWMGWMIPBPDGE-LBPRGKRZSA-N
-1D8F55BC35321A5B_FD71529C07A8E888_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC(=CC=C3)N4CCOC4=O,HZKOXMFHQCLEKC-UHFFFAOYSA-N
-1DC0385A7254FBFD_965B389908FC0810_6029_UN,C1CN(CCN1[S](C2=CC=NC(=C2F)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BQOSQOVMQDTCRG-UHFFFAOYSA-N
-25332FE344A4B2DE_1097B6FE40E2363B_6041_UN,CC1=C(C=CC=C1NC3CCN(C2=CC=C(CC)C=C2)CC3)N=C=O,AOELIDPFLCBZDF-UHFFFAOYSA-N
-26781A546E1C3CCC_A729E771ACB93E87_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(C(OC)=O)C=C2)F)=O,LEQBEJFCNRMWFB-NSHDSACASA-N
-28387F0C70FC8104_FF533154362D0177_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(OC)=O)C=C2)F)=O,PFSSCWUXNDBXDB-JTQLQIEISA-N
-28DE43118F1E3D48_2CFB935B827AA4A2_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CSC=C4,KIRWNPBCQQAFHE-UHFFFAOYSA-N
-28DE43118F1E3D48_FF45548D65C461ED_6027_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CSC=C4,KIRWNPBCQQAFHE-UHFFFAOYSA-N
-28DE43118F1E3D48_FF45548D65C461ED_7015_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CSC=C4,KIRWNPBCQQAFHE-UHFFFAOYSA-N
-29BD4F3EC2F2B3B7_07201DFE6755CCE0_6029_UN,FC1CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,VYYKMVYAKGSUKT-UHFFFAOYSA-N
-2B16CCE4E124398C_C78BD0ED6A46582B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C(C(OC)=O)C=C2)=O,QMNAPKGVZYHEIB-NSHDSACASA-N
-2BDEC1F4DC91EA87_6CF8B646177F5B41_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(OC)C=C2)C)=O,RNMBSLXOZZMVQX-UHFFFAOYSA-N
-2C0A59844180FEA3_06811044309215DA_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC4=CC(=C(C(C)=O)C(=C4)C)C,WPSKPQRRJFATNW-UHFFFAOYSA-N
-2C34AB0C2AE2D333_22903E07BDE6B888_6038_UN,COC1=CC(=C(C=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,HVMOTPPOTHSKDL-UHFFFAOYSA-N
-2C5783CE0FEDC91F_AF6D32094B1A5451_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,LXSYLFVEJHFRHD-UHFFFAOYSA-N
-2CA0807194BA8165_64B7B134903ECBD7_6029_UN,C1CC(CCN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,GRVYPPCPWLLKQI-UHFFFAOYSA-N
-2DEFF7709BC8F077_8720891F9520A015_6027_UN,BrC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,FHTQZDALGYFXBT-UHFFFAOYSA-N
-2DEFF7709BC8F077_8720891F9520A015_7015_UN,BrC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,FHTQZDALGYFXBT-UHFFFAOYSA-N
-2E093ADA6BA58595_A32A7589B72D8A96_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,YJPADXPJALTZRJ-UHFFFAOYSA-N
-3195458A66C0B35D_CFCA85F7B74F0887_6029_UN,C1C5=C(C2(C1)CN(CCC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O)C=CC=C5,PZUQGAYGGNANLB-UHFFFAOYSA-N
-32AE5774E88EB746_233C67458040ACF5_6041_UN,C1(=CC=C(C=C1)CC2CCCC2=O)N[C@H]3[C@H](OC)CC3,BHDUCDUJIOEVTA-RJPUVWTNSA-N
-32F59539CA7F4CA0_C310E4AF4BB44F6D_6035_UN,COC1(C(CNCC1)OC2=C(COC)C=CC=C2)OC,DYQNOMSTWDTHKW-UHFFFAOYSA-N
-34C8BAEBA000705D_0A32C0EC712A2131_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)N(C)C)F)=O,SWPCHJCUXAGGMR-NSHDSACASA-N
-376AAB9AD405205F_AB63348A9C2D77C4_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)=O)C=C2)F)=O,IYEMYFKLFVWIOG-NSHDSACASA-N
-3819F98E50330BAA_07CD35512ABADA6B_6041_DP,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NCCNOC,RMTOKXXBDAORGV-UHFFFAOYSA-N
-38B21CDE200D80B2_8E95DC089AF17764_6005_UN,O=[N](=O)C1=CC(=CC=C1)C2=C[N](N=N2)C3=CC(=CC=C3)C4=CC=C(C(C)O)C=C4,VOMLEEPUMRCYIJ-UHFFFAOYSA-N
-3A249A977F847B5A_AE4AEDEF8BBCC8A1_6028_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,ZCPCOPSNJYSDFU-UHFFFAOYSA-N
-3A3C4DD9CE5FEBE2_9E3E07A8A9002E66_6028_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,QENQASNUDSWOFJ-UHFFFAOYSA-N
-3C4FB23934F743B3_CD2966EC1BF34655_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(O)C(=CN=C23)Cl)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,BFOYYSSPDQPZON-UHFFFAOYSA-N
-3EBE75102723021B_5DA5D7D49682E8A1_6027_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,IIEBDYLFXFQBFS-UHFFFAOYSA-N
-3ED3DC3E8CA46DEF_043EA2CC69BB4E6E_6003_UN,O(C1=CC=C(C=C1)O[S](=O)(=O)O)C2=CC=CC=C2C(=O)C3=CC=CC=C3,XRDSVBRFMVYPRD-UHFFFAOYSA-N
-4171A4B2BBEE8D28_6ABC158900000002_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(=O)COC2=CC=C(C=C2)[N]3C=NN=N3,NSKPSZIDRLYOCA-UHFFFAOYSA-N
-41DA22082574AE50_5FA449802A3D3130_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(COC)C=C2)F)=O,JOZKKGQLPXHYNQ-UHFFFAOYSA-N
-41E0F662B575021F_AF1BBA6F7CEEF697_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=CC=C([N]3C=C(C)C=N3)C=C4)(=O)=O,HLUKOPLIOIWZCP-UHFFFAOYSA-N
-439FCAE702716235_3C3165CD6E0EBC90_6029_UN,C1CN(CCN1[S](C2=CN=CN=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,FUEFZPUQCCDSOJ-UHFFFAOYSA-N
-43EE233B654A3C88_CE298F0B57BD0C56_6027_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,CHNHVQVFQHEERX-UHFFFAOYSA-N
-43EE233B654A3C88_CE298F0B57BD0C56_7015_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,CHNHVQVFQHEERX-UHFFFAOYSA-N
-448C0E710B4FACD4_03BBD46937D0B2A5_6034_UN,COC1=CC(=O)N(C2=C1C=CC(=C2)Br)C3=CC=CC=CC3=O,YKYXFHWXFFRYJN-UHFFFAOYSA-N
-44F6E703071DDD02_EE2B64BDBDBB3865_6028_UN,BrC1CCN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,CFBHJJFTYKMFTB-LBPRGKRZSA-N
-451E150EF29EC3ED_0D2A24E2D12DB670_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,TXNZDLBEZIYYRE-UHFFFAOYSA-N
-46562F2DBA8A42CC_D8B6B435BA9615DA_6028_UN,ClC1CCN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,GDEMGXZKIWZICP-LBPRGKRZSA-N
-4792077D8FDC754B_26C4D2D9CDB41E3D_6027_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,VPRTYWCRERUFAJ-UHFFFAOYSA-N
-4792077D8FDC754B_26C4D2D9CDB41E3D_7015_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,VPRTYWCRERUFAJ-UHFFFAOYSA-N
-4A3D6D221BE818B4_B134B95A2C2E622E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(OC)=O)C=C2)=O,HINNEHCTRYYFNN-JTQLQIEISA-N
-4B7B2FB0FEA8B380_28E0AC4F263BC699_6029_UN,C1C=C(CN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,VCZFMDZUFMPYAT-UHFFFAOYSA-N
-4CE2139723FE9457_5B52602F7B87B280_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCC3)C4=CC=NC=C4,BYDQWDGNVGEFKR-UHFFFAOYSA-N
-4E707F1C94DE2584_AD545B8140FEFB4E_6028_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3Cl)C)(=O)=O,KKRLWJOKWALEBM-UHFFFAOYSA-N
-4F70993C6DD97B39_2977244676D881B0_7022_UN,COC1=C(C(=CC=C1)NC(=O)N2C(=O)C=CC2=O)OC,SRSPMAVXBCANLO-UHFFFAOYSA-N
-4FA1AD0D35209CDF_1DBD5925B237DF09_7022_UN,COC1=C(C=C(C=C1)NC(=O)N2C(=O)C=CC2=O)OC,PSVYOKNJVGZHRU-UHFFFAOYSA-N
-50364690D3F078E0_D2EE439224394763_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=C(N3CCN(C)CC3)C=CC=C4,GELOHEUSXBXGDS-UHFFFAOYSA-N
-5168B3B0FFDE51F1_34B8C58CF670DEDF_7015_UN,COC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,QUUJSZBUKXNNGP-UHFFFAOYSA-N
-521708D063811723_ED82109559E5FDBC_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O)C=CC=C4,CJHUCUFCLGSRFB-UHFFFAOYSA-N
-5363861B98D5D93D_2980D2B6DE9F87B1_6027_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,BKCBDFKZHLADCJ-UHFFFAOYSA-N
-53B5B492EAE08667_A4D9396011CBE9DA_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C2N=C(Cl)C=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,OSVHQPVAGHZJLK-UHFFFAOYSA-N
-53F4D971CF12DE5A_1A913C41622F9972_6038_UN,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,ULGXXBUPSBKTQZ-UHFFFAOYSA-N
-54A4922BF0CEF3AC_5806BF78854FBCF1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)=O)C=C2)C)=O,ZZUAAGRYNNDNON-LBPRGKRZSA-N
-5796EF51C94BC77B_694C7C0BA73E6B0E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCC3)C4=CN=CC=C4,QVGLHFFLRXNPCU-UHFFFAOYSA-N
-58BCAD598227C750_F26CB12350D5A50E_7022_UN,COC1=CC2=C(C=C1)C=C(C=C2)OC3=CC=CC=CC3=O,ZFBXZJYFMWOASS-UHFFFAOYSA-N
-5928835F07B4DD29_7227F5F93A99C57F_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,RXAFJRBQOSDPJT-UHFFFAOYSA-N
-5A80BA2D384AD926_D250F9E4A7C1076F_6005_UN,OC(C1=CC=CC=C1)C2=C(C=CC=C2)C3=C(OC)C=C(C=C3)F,MUXSSLVQWLVQDT-UHFFFAOYSA-N
-5AA5E87B93A547D8_32B5AAC7C0EB7E4D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(C)C=C3)CCCC4,AYWBKHZKTGULRU-UHFFFAOYSA-N
-5C5C78328E208F68_002676494F8A18C6_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,GPCMIWLEIQHBTE-UHFFFAOYSA-N
-5C5CA560210D181B_024041A7391FDEA5_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,NLVAIPOKRNYSNZ-UHFFFAOYSA-N
-5DF919C986726913_5660AD7D20659119_6028_UN,FC1CCN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,QXZYZOLRKMJILA-LBPRGKRZSA-N
-5F6A626670D436D0_0FE3441428A4E8B6_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)NC3C4=C(OCC3OC)C=CC=C4,BTQAPPNTFJSPBM-UHFFFAOYSA-N
-61CA0212BF65B189_4E4FF64641143688_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(N(C)C)=O)=O,YHAYWBNZQOGKHI-UHFFFAOYSA-N
-639693851DC306AB_6C19E55B8B793D52_6041_UN,C1(=CC(=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](OC)CC3,ABYSKVVNDFPUIR-CHWSQXEVSA-N
-63B3CFDD99F4C0E2_70B8B4A6D5AD0D87_7019_UN,COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,CSHBORBLRXOEMF-UHFFFAOYSA-N
-63D7B745A5CBE968_1C05C5DABA8A2476_6029_UN,C1CN(CCN1[S](C2=CC3=C(C(=C2)I)[NH]N=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,VJKYWMGEUVHCBZ-UHFFFAOYSA-N
-687BB3410AF52B47_E00A0E1C035E45FE_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,SOAOGXIASTWXSR-UHFFFAOYSA-N
-6C8DAF992FB70948_949C8899C4F3899B_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC3CCC(OC)CC3,AKQYDQOOUWRWOK-UHFFFAOYSA-N
-6DD10EE02404AE97_786B1CEA5F8D1D93_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=C(C=C3C)Br,KUVIJEVKAUSZQB-UHFFFAOYSA-N
-6E5A3A445C7D6BAE_BB1B03CD17E0BB6A_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CN=C(C(O)=O)C=C3)=O,GLOGERAZEYSPFA-UHFFFAOYSA-N
-6F57FC655AEF9C40_FF04C4D4D8295A91_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(OC)=O,KQQQJKSVPGSPJU-UHFFFAOYSA-N
-6F62BEFD436FBCE4_AF80A7EEF554FA46_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCCC3=CC=C(N2CCN(C)CC2)C=C3,MFCMEIXONCRPBF-UHFFFAOYSA-N
-6FF42E32ED3DCE15_A515CDA536D22F0D_6038_UN,O(C1=CC=CC=CC1=O)C([C@@H]2C[C@H]2C3=CC=C(OC)C=C3)=O,HAJSVACUASXLGZ-LSDHHAIUSA-N
-70D768CB494E2383_91CEC185F362802E_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O)C=CC=C4,AHOHKRCELNBQMU-UHFFFAOYSA-N
-73CAFAA1A63AF59B_B97CCFB73297BCBD_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C(OC)C=C2)=O,WRWTXXUFAZTFNO-NSHDSACASA-N
-77220CC2CA53372C_6B5EC20AF64CBAC2_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C)C=C(C=C3)C4CC4,RACDWTUURBGBDW-UHFFFAOYSA-N
-7CA7B46D7D4F15B6_4AE9F707A37B25AF_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CCOC4=O,DKBLJUTYQSXLFY-UHFFFAOYSA-N
-7DB37113C5EC0655_E7778237AB1E80AF_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,IRTXTACEJGUPCD-UHFFFAOYSA-N
-804DE5ACC75BB78D_EEC96BFDFDA773B3_6029_UN,C1CC(CCN1[S](C2=C[N](N=C2)C3=NC=CC=C3)(=O)=O)C4=CSC=N4,HJHKVTFUHCJHIB-UHFFFAOYSA-N
-806A9CCEBC270B67_C29927CBB6A0E269_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3=C(C)C=CC=C3)C4CC4,OHINNHPRTBEAII-UHFFFAOYSA-N
-80779124353EE692_1E6C69309318EDD3_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,CZLYOSLVJWEAMP-UHFFFAOYSA-N
-82A334401CF7EAFC_4195DCAA43DA66C2_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H]3[C@H](COC)CC3,IRVBSDGEFMLUPW-JDZGAICCSA-N
-842D862B3F66E1F4_B125E83F5ED92ED2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=C(C)C=CC=C3)CCC4,FLKVEXOXEVQUIW-UHFFFAOYSA-N
-851C5C2BBE95423D_89F604B6FDA64823_6029_UN,ClC1CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,LALOYKKPYRQLEB-UHFFFAOYSA-N
-8688744F42C2C178_62E654C7BA8CD46B_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CN=C(O)C=C3)=O,TXTVCNFQYAJNHA-UHFFFAOYSA-N
-883F1BF7CF0F5634_53050D8B156DDE02_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C(C)C)C=C3)C)(=O)=O)C=CC=C4,WJEUGDMIVFRIQZ-UHFFFAOYSA-N
-8852D2BB76590958_581272AACAB03442_6006_UN,CSC1=C(C2=C(N=C1)C=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,QLCKDXWZGGRZJA-UHFFFAOYSA-N
-88B18F673C670066_72275D1F3E384AEE_6029_UN,OC1(CCN(CC1)[S](C2=C(C=C([C@H](C)O)C=C2)C)(=O)=O)C3=CC=CC=C3,KTFMCGRFAKYCIT-INIZCTEOSA-N
-8941FFFF242DD822_7EFB3CD19B81F530_6038_UN,COC1=C(C=C(C=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,DDEJUOVVPFQATO-UHFFFAOYSA-N
-8ABD20D2E7F84D20_97B3A100FA3EAC47_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C2=C(C)C=C(N=C2)C3CC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,CMPZOLLWPGMWTB-UHFFFAOYSA-N
-8B46605E7056EEDA_F2800BA7B01C88D7_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O)C=CC=C5,CGCYWICJGWEUPU-UHFFFAOYSA-N
-8BAE50939F1307A7_CD8DF4BA9AE01802_6027_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,GHEUZAROPPCJEA-UHFFFAOYSA-N
-8BAE50939F1307A7_CD8DF4BA9AE01802_7015_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,GHEUZAROPPCJEA-UHFFFAOYSA-N
-8CFA98BEAC6560EC_E2BC60D854F13AB1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(OC)C=C2)F)=O,JPNMHHZWMHBKSR-JTQLQIEISA-N
-8D774D589D7172DC_D7F436EF26A8C89F_7022_UN,CC1=CC(=C(C=C1)C)NC2C3=C(OCC2OC)C=CC=C3,FQXLLOFCFSFZKJ-UHFFFAOYSA-N
-8E3B0F2BFD4D1EAA_00E0D68F125E3AFC_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,FNINEMDIXOFKLW-UHFFFAOYSA-N
-910A9ECF96741C46_599BCDF6524BBCB4_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(OC)=O)C=C2)F)=O,QMWHRXUCMHDGMD-JTQLQIEISA-N
-962BA1ED821F8D80_E269F57735378C42_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,STMHRPVCYUBXLM-UHFFFAOYSA-N
-97F7C3EA105D353F_F1D9171CB97B28B7_6005_UN,OC(C1=CC=CC=C1)C2=C(C=CC=C2)C3=C(OC)C=CC(=C3)F,PFOLAJWZEQLXLG-UHFFFAOYSA-N
-98F2DE641695B8CB_366C98F6486A6CA5_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,MQCJOXVNTVBECP-UHFFFAOYSA-N
-99732F696AABD9A4_8C82AF7616CD3A59_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(C=C(OC)C=C2)F)=O,RCRSDGFNVOGIKW-NSHDSACASA-N
-9A3A6DA702A0ACD9_201DD5F83799CAB6_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CC3)C4=CN=CC=C4,VTPHYMVYMRVIHS-UHFFFAOYSA-N
-9D9FC35700010E1F_1825EECC02CC0261_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC(=CC=C2)[S](=O)(=O)Cl)CC3)C=CC=C4,MHMIEQMIHQHTDI-UHFFFAOYSA-N
-9E6DEEF5E351187A_66E620D7553BCF15_6029_UN,C1CN(CCN1[S](C2=C(C)C=CN=C2Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,NOKVSJCKRZZDGM-UHFFFAOYSA-N
-9F848643345F4120_1E18E69A7B02CFEF_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC3=C(N=C(C)C=C3N4CCOCC4)C,QYUISWJFJUPNMQ-UHFFFAOYSA-N
-A064BA3E8B7A8F49_2C13259B23A6EC3D_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(C)=O)C=C2)F)=O,HYYHKRIBODESDB-NSHDSACASA-N
-A116153F1F83FF60_F5FCA59752E4EC19_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC=CC(=C2)OC)C)=O,XJWXTSQVYFGKEU-ACGXKRRESA-N
-A1E68C028CC67A41_123D6864B3667C9C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC(=CC=C3)N4CCCC4,MWROSMBEPQSNFI-UHFFFAOYSA-N
-A6378FC3DE856898_0F40427594F75EA4_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C=CC=C3,DEKSBZCVYSLNCN-UHFFFAOYSA-N
-A6B08CB56C1CD33A_2170EBC716F2A75B_6029_UN,C1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C4=NC=CC=N4,KCCZOYPXOZMXPI-UHFFFAOYSA-N
-A7CDE9F6A3CC79C7_28761E5774084D6D_6029_UN,FC1=CC(=CC=C1)C2CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,OAISMJZCLPXRSQ-UHFFFAOYSA-N
-AA4FCAE2879DF4D9_F7A9BAD88A38B9B6_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O)C=CC=C4,RIRMIVVMWHWGJJ-UHFFFAOYSA-N
-AC15536F53D3F59C_B4B9553DBB69206C_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,PSQQZZTXLORJQA-UHFFFAOYSA-N
-AD3EF4C9E9E2E337_F86D2F736F5987F6_6008_UN,COC1=CC(=C(C=C1)C2=CC=CC(=O)N2CC3=CC=CC=C3)OC,DMQBHLPDJFDIOM-UHFFFAOYSA-N
-AD4F163884722443_E656943F5F930C7A_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)OC)F)=O,KAAMTEFSJBCYJO-JTQLQIEISA-N
-ADED825FD0BF3BB6_5EA6E64283804319_6041_UN,ONC(=O)C1=CC(=CC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,TUXJPECDZNYOLB-UHFFFAOYSA-N
-AE142BEEDE01A82B_FF60BAF227F2FEA6_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(COC)C=C2)=O,IQMOFRDWMGRSNP-NSHDSACASA-N
-B03EA712F04F32FC_B710A1F7E8AF033B_6041_UN,COC1=C(C=C(C(=C1)C)NC2C3=C(OC2)C=CC=C3)C,PCIFHUOBEPJFOX-UHFFFAOYSA-N
-B30998EF7D0EB0BB_59CD3794602A1420_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](OC)CC3,YYOUEMXWQUANBX-CHWSQXEVSA-N
-B3263559C260AEB2_6B5BAF5323FFC036_6006_UN,C1(=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=C(C=CC(=C3)C)OC4CCCC4,UHFVIBAUONTRBO-UHFFFAOYSA-N
-B41A26BB067E8BA8_D5E51C4DF3B99DDE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(N(C)C)C=C2)F)=O,CZMBPEASSFDMPF-NSHDSACASA-N
-B579157C2C3BF571_3EEBCDBF4D8BD21E_6028_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,RPPWCUCIYJYJRE-UHFFFAOYSA-N
-B604E4F4787180C2_8ABB091423DBCE02_6029_UN,C1CC(CCN1[S](C2=CC=N[N]2C3=NC=CC=C3)(=O)=O)C4=CSC=N4,RWYWJPZSAVPKQB-UHFFFAOYSA-N
-B6AC74BB49C6BDED_A91688601C3C6008_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)F)=O,HDKSZAHSZGUQGI-UHFFFAOYSA-N
-B73BEE8E60CD4D14_B639F1F1928E3EF1_6038_UN,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,FOGJUHPRWKEHMB-UHFFFAOYSA-N
-B7954CDE1F2C67D7_AAFBBC7B4D891346_6029_UN,ClC1CCN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,OMSFWCZCTOPEIN-UHFFFAOYSA-N
-B7E01251D8647B36_4A519ECF0DF675FB_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,JVOPPPKEYNAMLN-UHFFFAOYSA-N
-B8AA74C153C735FD_A4C07276CE9BADEC_6041_UN,CCC1=CC=C(C=C1)NC2C3=C(OCC2OC)C=CC=C3,VLQVCXACMLPLKJ-UHFFFAOYSA-N
-BA2A0AF073C3B313_1DE3873F649220D1_6038_UN,N(C1=CC=CC=C1)C(C=CC2=C(C=CC(=C2)OC)OC)=O,RXESSHCHEHKDJW-UHFFFAOYSA-N
-BCFADA17FEF3F606_03C06DE5373B0FB2_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=CS3)C4=CN=CC=C4)(=O)=O,UOFWNDBNAOYPAG-UHFFFAOYSA-N
-BD0E3172936C8A6A_4646C4BFA5D1E3E9_6041_UN,C1(=CC=C(C=C1)C(=O)C2=CC=CO2)N[C@@H]3[C@H](OC)COC3,KFCRJQIKKBFPNI-DZGCQCFKSA-N
-BDB2C5F8B2792CEC_E6700954E22E8EF9_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(C)C=C3)CCC4,KHHRELDHGBFMAC-UHFFFAOYSA-N
-BE1429158E128517_0025D28DEBDF1499_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(OC)=O)C=C2)C)=O,PQHDGJWMNAPUPA-NSHDSACASA-N
-C412D3F17155A217_94723C9BE14AE1A9_6038_UN,COC1=C(C(=CC=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,UOUHGGILIRJHCY-UHFFFAOYSA-N
-C5E721B930A49187_9F7CF2890BC532A8_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=CC(=C2C)OC)=O,DUBVNUWDTBOXDU-UHFFFAOYSA-N
-CA176BB0452A2161_3E800186C24B9BF8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)C3=CN=CC=C3,QLUVBCBSHZQJAP-UHFFFAOYSA-N
-CB06B368EFA92F2B_39D33A102151D092_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(SC)C=C(C=C3)F)=O,OSTWTSAJUDXQQI-UHFFFAOYSA-N
-CCB8085D8E0BBEC3_19F438F1FC236176_6027_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WAJCJLKDCDJTQX-UHFFFAOYSA-N
-CDB9F91A0EF02F31_16C75224B5C8B110_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C(=C2)Cl)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,OECYNZYHLZILLS-UHFFFAOYSA-N
-CE052B0DFBB68D16_B79A80F287A43638_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](OC)CC3,IKOXDNJBDLDFJV-DGCLKSJQSA-N
-CE052B0DFBB68D16_D95C0DEDCAEFED6C_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](OC)CC3,IKOXDNJBDLDFJV-DGCLKSJQSA-N
-CF2AAB05B311CD9A_B76AB6210B8CDD9C_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,OELLIYUXRCRLER-UHFFFAOYSA-N
-D02BBBFC94925CA0_2D409660687C0E9B_6029_UN,C1C=C(CN1[S](C2=CC(=C(COC)C=C2)F)(=O)=O)C3=CC=CC=C3,IEINWZHDXFJXPZ-UHFFFAOYSA-N
-D052CD6C993A4363_59780C47C600675E_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C)C=NC=C3)=O,YFYUVBYXGIULES-UHFFFAOYSA-N
-D1D05177ED7D700A_B3D11B7ADE39BE9E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(N(C)C)C=C2)F)=O,DFQSUTJJXGFJPS-JTQLQIEISA-N
-D2DAA689730F70B0_E5825A68394E8BB5_6029_UN,CC1OC4=C(CN(C1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C=CC=C4,ZNKGAAKMLKBLAH-UHFFFAOYSA-N
-D556AC43F702AA32_DC7541BBC7E03FC8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C)C=C(C=C3)C4CC4,PCZPEHZBBDSWAE-UHFFFAOYSA-N
-D5702F6929ADE6A7_2AA64B2E93503407_2267_UN,COC1=CC(=C(C=C1)C)C#CC2=CC=CC(=C2)C3=NC=N[N]3C,FLVLOYICYDDFII-UHFFFAOYSA-N
-D852B3B169B57CD2_B6FC912281D5787C_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,HYGYVVKCFFZLTI-UHFFFAOYSA-N
-D8B7A1D63C75A361_32DFBA3AEA736038_6029_UN,N(CCC1=C(C=C(C=N1)F)F)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,IIBXLXFLFRYGMG-UHFFFAOYSA-N
-D9059D209286FFE9_805EA9DD5FE94D2F_6028_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)Br)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,SZGFYLWGFMGSCQ-UHFFFAOYSA-N
-DA1E70C53595DD97_05F9F38B0731B504_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,PFYUDOOPNFROSH-UHFFFAOYSA-N
-DCE13496C82C3B0C_F10D1B3CC809360B_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC=C(CO)C=C3)(=O)=O)C4=CC=CC=C4,YLSYACGXWZDAOH-UHFFFAOYSA-N
-DCF463774BE05032_8745E3E3356A09E2_6029_UN,C1CN(CCN1[S](C2=C(C)C=CN=C2F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VCKFXNLDOQIQDL-UHFFFAOYSA-N
-DFE261A32E616587_E8D71EF0BF4799A5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=CC(=CC(=C2)OC)F)=O,YXLFIVUACBXMOL-LBPRGKRZSA-N
-E165944610EA7D05_4F85CE8CD5584D5C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=C(C=C(OC)C=C2)C)=O,XDDZVWSJTGFVDC-ZDUSSCGKSA-N
-E35D73F1971FD7A9_356D8A44FA226900_6038_UN,COC1=NC(=C(C=C1)NC(=O)C2C=CC=CC=C2)OC,SHNZKWXMEMAYAL-UHFFFAOYSA-N
-E363DCDDB0118299_98A69FF3FF4F5446_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CC3)C4=CC=NC=C4,QUHZRFLIFQTTDT-UHFFFAOYSA-N
-E40CC8AB42C89E7F_285C6065C7D5D7CD_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H]3[C@H](OC)CC3,OVSYNWDITPIVDW-VFRRUGBOSA-N
-E6ED2F479C159E13_31167811EEFA9B91_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=C(C=CC(=C3)C)OC4CCCC4,UOUXGZDWXPBPBN-UHFFFAOYSA-N
-E86AE2CE84E8ACE9_6F6A17C1C6A7B2FD_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(SC)C=CC=C3F)=O,SJFHMKVJZKHUCJ-UHFFFAOYSA-N
-E9D0379270E07F20_CCC64E11CDC0A6FA_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)[N]4C=C(C)C=N4)(=O)=O,FIKXWQPDYVAXCZ-UHFFFAOYSA-N
-ECBA917531E1244C_7DF4A087C6197A92_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CC(N(C)C)=O)=O,PSGRVNWBDHBIOM-UHFFFAOYSA-N
-EDDE0EA307FC8BFD_2429C329F1656171_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)C3=CC=NC=C3,NOHJYZLPNUDYDQ-UHFFFAOYSA-N
-EE18F695DA2CEDE0_DBC98520A753A916_6029_UN,OC1(CCN(CC1)[S](C3=C2C=CN=C(C2=CC=C3)C#N)(=O)=O)C4=CC=CC=C4,UEUPCFUANLJCLU-UHFFFAOYSA-N
-EE3CEE0D72839993_AA562B4D2D8E29F6_6029_UN,N(CC1CC(C1)=O)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,FHZUJPZEGMZETQ-UHFFFAOYSA-N
-EEDF4A1335521262_5AD0CD95C44C7FAF_6029_UN,C1CN(CCN1[S](C3=C2C=CSC2=CN=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,BQCQCBCAWHEXOE-UHFFFAOYSA-N
-F0C9E5902EAFE82C_FAC9A3A5B1DA4B38_6028_UN,BrC1=CCCN(C1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,KQWJBIIMASIJJM-LBPRGKRZSA-N
-F0FF058845514BAE_C3BB646CDFC3A475_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=N2)C#N)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,YTIMTLXAXWGLAY-UHFFFAOYSA-N
-F1AD7B800200875B_3A16829893485FE5_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,UFGSJOYQMSUVBG-UHFFFAOYSA-N
-F2337C471BD152C8_DB8B36171F8ECBA3_6028_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,MPKSXZUVBRKOMP-UHFFFAOYSA-N
-F23B91CC68DFAB6C_4EA550040626575C_6029_UN,C1CN(CCN1[S](C2=C(O)C=C(C(=C2)Cl)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,XZTXQTLYZGOKOA-UHFFFAOYSA-N
-F4A6BEE947F72E81_FE8B0BEF00B91681_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,GIIUIYDEEXUSGH-UHFFFAOYSA-N
-F70CD338EF750CF4_75B2A47A870C6763_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3=C(C)C=CC=C3)C4CC4,GUSAHQCGTXVTHS-UHFFFAOYSA-N
-F738E8012E9B5BAB_23F1DC003E2B6D3F_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,ZYEAGQVWWPMTTJ-UHFFFAOYSA-N
-F9C3DB33B4EF9AFD_4C8C15A5F8556D66_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC(=NC=C2)N3CCNCC3)=O,ALRGSYIFGULRJF-UHFFFAOYSA-N
-FC15476621C3FC36_A9513E3BF7901287_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,IPYHHNAUCNWSGL-UHFFFAOYSA-N
-FEFAF7CAB7AF8E95_223BBCEF083709DF_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,AWUGAUQRZSFNOG-UHFFFAOYSA-N
-FFD494C192D9BAA7_766D2B44FA6A28BB_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(OC)C=C2)[N](=O)=O)=O,WKDSCGSJXWRWPP-VIFPVBQESA-N
-rxn:2:105075:162580,CCC(Nc1cc(C)cc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,KXHNVLLTFPIWPD-UHFFFAOYSA-N
-rxn:2:111489:103107,CCC(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCN(C)CC2)c(C)c1,PPRZHSOHEAWXTN-UHFFFAOYSA-N
-rxn:2:131705:162580,CCC(NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,BOUYKAZWVDUJGR-UHFFFAOYSA-N
-rxn:2:82615:103107,CCC(Nc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(N2CCN(C)CC2)c(C)c1,NKMHBWNCDWLGKZ-UHFFFAOYSA-N
-rxn:2:84946:86839,CC(CCN(C)C1CCN(C)CC1)NCc1ccc(OS(=O)(=O)F)cc1,NSMGGAGQNBYUAW-UHFFFAOYSA-N
-rxn:2:92427:162580,CCC(Nc1ccc(N2CCN(C)CC2)c(C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,RMNZTCLQCXGJGR-UHFFFAOYSA-N
-02E919B1C15EDEB5_884E5C2E495EFE43_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,YBNUESIDTLJDLW-UHFFFAOYSA-N
-02ECEAE3DE2A1F0C_0935450A85D36140_6041_UN,CCN(C)C1=NC=C(C=C1)NC3C2=CC=CC(=C2OCC3)C,MHVJVXBUGOHOPJ-UHFFFAOYSA-N
-0428D715D90E246D_EC8D7919FD61CB15_6029_UN,N(C[C@@H]1C[C@H]1CO)[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O,DYNUBNUSGGMOCC-WEBCLNCGSA-N
-048CAB0C428144DC_8C3130EE4B08C5E5_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=C(C=C(C)C=C2)C)(=O)=O,KKUMIYCDCWWDSP-UHFFFAOYSA-N
-04C3FC54697C4AC9_A369CC5DD6BB7257_6029_UN,N#CC(=C1CCN(CC1)[S](C2=CC(=CS2)CO)(=O)=O)C3=CC=CC=C3,BDGYUBRQEHOOBE-UHFFFAOYSA-N
-07DAA058B7905EC0_A356F90ECB901B5F_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=CC=CC3=C2OC(C)(C)C=C3)N(C)C,BTKBOASDKKVTDZ-UHFFFAOYSA-N
-08107F7AEDED61CE_B8790EEA5394620A_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)N(C)C,KEJIRNFSTZOJDR-UHFFFAOYSA-N
-0813FAB5509E321C_A68311C126F75DFB_7022_UN,C[N]1C=CC2=C1C(=CC=C2)NCC(C)C3=NN=C[N]3C,WOSIIMCEBYYSHG-UHFFFAOYSA-N
-08951A3FD60CC753_DEE2FD7A28E7D31D_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,PVGQSFWQDAGRKC-OAHLLOKOSA-N
-08FA72E38174DE38_EF4F7EB08650BEFA_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CC3=CN=CC=C3,UDLNNLLMLGPQHH-UHFFFAOYSA-N
-0A24196D163D62EE_58B377B4F2C7A656_6041_UN,C[N]1C=NC2=C1C=CN=C2NC4C3=CC=CC(=C3OCC4)C,IWNGGEJXASUREM-UHFFFAOYSA-N
-0A45B6B99D287DF3_CA259FA1B172C921_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC(=CC=C2)C3=NC=CS3)N(C)C,QVSJZXCFQMXQFR-UHFFFAOYSA-N
-0A809B05114C2178_0767999F89A4644A_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,YSMMXTJQBDSQQP-UHFFFAOYSA-N
-0FF205211FDAF743_558A9936DFEE3309_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)[S](=O)(=O)Cl)Cl,PNQCKHWNVDSZRA-UHFFFAOYSA-N
-10E8EACE9F7A397A_3C4E5BAF3ACFEF66_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4,AMHAXQQGFRJYIL-UHFFFAOYSA-N
-14FB2C78D9DE22C3_B598ED3F0B37264B_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=CC4=C(C(=C3)[S](=O)(=O)Cl)CCCC4,RNWLUSRLNQXZRH-UHFFFAOYSA-N
-1ADCA5EE670CF9CA_B8719AF36138B340_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=NC=CN=C3,IDCQQPCNDSGGTH-UHFFFAOYSA-N
-1B6CD5882B3E161D_7AC8B2CE4724F595_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(CC)C=C3)[S](=O)(=O)Cl)=O,QQVJSMDJXGQCQN-UHFFFAOYSA-N
-1CA298621DBEBF83_5A23ABECEDA64CFD_2875_UN,C[N]1N=NC=C1[N]2N=NC(=C2)C(N)C3C4=C(CC3)C=CC=C4,OYOLRFRDZTZYLH-UHFFFAOYSA-N
-1DEC83A8356F70E5_9B2A86F0F2AEEAFB_6038_UN,CCC#CCC(OC(=O)C(=O)CC1=CC=CC=C1)CC,BVHGVKOIKWPJAR-UHFFFAOYSA-N
-2160C8D72DD2998F_E6E76B1E3DCAA7C3_7022_UN,C1(=C(C(=CC=C1)Br)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,WOAPYKRLHBXMCZ-UHFFFAOYSA-N
-29142FDD69656746_9AF9A0382897D503_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3C)CC4,DABACIJGEOIICQ-UHFFFAOYSA-N
-292073770E16A7D3_EB99DDB8A28D8A76_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCC(SC3=NC=C(Br)C=C3)CC4,XDQAFWHFVOCECQ-UHFFFAOYSA-N
-2A38E157B0389042_16914F8284E8B333_6006_UN,C2(=C1C=CC=CC1=NC=C2[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCC4,DURAJJGAQYTZFJ-UHFFFAOYSA-N
-2DB119B8ADC87A8B_E7050BB30EC7BD08_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,KLMSKMLJTXCHKT-UHFFFAOYSA-N
-2E06538A217CB577_97837BBCACFD88D3_7022_UN,C1(=C(N=CC(=C1)Br)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,FFDUIQAYAJLYRH-UHFFFAOYSA-N
-3150C87644C9A864_A35B913CE54C4E3F_7022_UN,C1(=C(C(=CC=C1)Cl)Cl)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,PZZRBHDPLKYMQG-UHFFFAOYSA-N
-32A3B762912C341E_99B0D691ED18DFE6_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)F,CPPDCQFYQNAMQA-UHFFFAOYSA-N
-34BCAE64FB42D87D_491C044C69824B02_6041_UN,CN(C)C1=NC=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,YQIYJSDNQLHECX-LBPRGKRZSA-N
-34E7D8A2D1CA4421_12F897C59227428B_6041_UN,C[N]1N=C(C2=C1C=CC=N2)NC3CC(C)[N]4N=CN=C34,XRQVKPGWBSOYSC-UHFFFAOYSA-N
-3547BA31AC72F2FC_4495403ED491D638_6041_UN,CC(C)C1=NC(=NC(=N1)NC2C3=C(OCCC2)C=C(C=C3)F)N(C)C,BNKWFVVLGNWPDU-UHFFFAOYSA-N
-388FCA2F2E35D650_5CCD4926A7D16AE0_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(CC(C(OCC)=O)=C)=O,WPEOCNCARYQFKL-UHFFFAOYSA-N
-3964C9045D8D0948_F150E0BA2EF4B46D_6029_UN,C1CC(CCN1[S](C2=CC=C(N=C=O)S2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,FDDKHHKITWZMAO-UHFFFAOYSA-N
-398A0531114779B8_7C758D247850AA48_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)Cl,RRTJTXSUPFBCMZ-UHFFFAOYSA-N
-3E100F8FC1EDD934_225B5F43FA7CADEE_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C)C3=C(C=CC=C3)N(C)C,KMLBGVUYGOUHAS-UHFFFAOYSA-N
-3ED7AA94EC93DC6B_87B2725064E77A54_6035_UN,CC(OC1=C([S](C)(=O)=O)C=CC=C1)(C2CC2)C(F)(F)F,QWCRVPFXGLAFLD-UHFFFAOYSA-N
-420AF338FCE607B2_728A994E0AEF2D4F_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,FPSPSASJJQBYHU-HNNXBMFYSA-N
-441A605D38A2118D_4A990F8DB8A0AF9C_6038_UN,CN(C)C3=NN=C(CNC(C2ON=C(C1=C(C)C=CC=C1)C2)=O)[NH]3,RINLWBCCEDRWJT-UHFFFAOYSA-N
-446B535BB27C9B53_FDEF1B375E3F4AF7_6041_UN,C1(=NOC(=N1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,IPSZVUCAHFSFRY-UHFFFAOYSA-N
-449142C1A4D116D7_8B068481FE3D4493_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,FRARDCGFINLSNW-UHFFFAOYSA-N
-4621777CC91B0080_B0E466ADDC5BF8D1_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4)Cl,YAVRWGWQTOYUTM-UHFFFAOYSA-N
-4719E31AD2B0572B_0078B0E6436E2F17_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4)C,KEQHYPYTAHEDDC-UHFFFAOYSA-N
-4730C24240CEC1A2_3B94E209802AF586_6006_UN,C2(=C1C=CC=CC1=NC=C2[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCC4,MAODRUYRTXCJMH-UHFFFAOYSA-N
-483BDE0B21877EE5_C004FA606D14BA33_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3C)CC4)Cl,JYTBREAMMHPQNG-UHFFFAOYSA-N
-485C5B77B7BF63E8_C2AD208CAB9B34DF_6026_UN,ClC1=C(C=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N3CCC(CC3)C5=NC4=C(C=CC=C4)S5,IIAOHZNEEYZQCO-UHFFFAOYSA-N
-49A71EA4D1667061_CF4A166E24FD3504_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)CN4CCOC4=O,BWCMKORAOVPRCF-UHFFFAOYSA-N
-4A61279C0303C19E_2C1990E33EF679DC_6041_UN,CN(C)C1=NC=NC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,HYDJUUUOEYUOKW-ZDUSSCGKSA-N
-4A7DA64B99FA50FE_BC7FEF176B9C8FEF_6041_UN,CC1=NC(=NC(=C1)NC2C(C)COC3=C2C=CC=C3)C,CVHHUOLCOXVECT-UHFFFAOYSA-N
-4D0864C7840F9255_FFB17DA9E6C07DA7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(N3CCN(C)CC3)C=C4,ZTRDJUBEKLCXGN-UHFFFAOYSA-N
-509D5675F0CB96F9_A53F813D8CDDA61F_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=C3C(=CC=C2)OCO3)N(C)C,HTOYNLURHPUQPJ-UHFFFAOYSA-N
-50A8C08B15939CCB_6EF0828E52F55A76_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)Cl,LMSJLRMDRPGTBW-UHFFFAOYSA-N
-51276FABAF8D7419_9D71EA2B7876DEEC_6029_UN,C1C[C@@H](CN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)OC3=CC=CC=C3,HJOWFUNBMYREBZ-INIZCTEOSA-N
-51A0AE09A8DC90B6_67B19E4D71DF6D86_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)N(C)C,GJSYBYIAKAEHLT-CYBMUJFWSA-N
-53DC018BE047E261_242ABF03F0748602_6039_UN,CCN(CC)C1=CC(=CC=C1)OCC(=O)N2CCNC(=O)C2,FAEDRWBGHPMPFK-UHFFFAOYSA-N
-53DFA59F3118D9E2_31EBCADBC0BE3AC9_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C2=CN=C(N=C2)N3CCCC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,UBCFJIKUYMSNLL-UHFFFAOYSA-N
-541D8878071429BA_1E3D775A397404B2_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)N4CCN(C(C)=O)CC4,OHICVKBCDQLDQO-UHFFFAOYSA-N
-55B28A0E687FF218_53DA0AF92D54BDBC_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4,VICQGMUKJSJARF-UHFFFAOYSA-N
-5C125F9582BC23B9_CABB27DF7B0044C3_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,IMRLGOIYBJZAFI-UHFFFAOYSA-N
-5C8214FA31C58D3C_A1CD8050167CDE99_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC(C)C3=N[NH]C(=N3)C4=CC=CS4,HRYBVSZNIIPQEO-UHFFFAOYSA-N
-5D8776DB84D134A6_7D60A31B9FB4144B_7022_UN,CC1=C(C=C(C=C1)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3)F,HJZJRGAQHATUEK-UHFFFAOYSA-N
-61623ADA58AA4137_2DFB6E87F9126E38_6029_UN,OC1(CN(C1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,VRFYEWXDMOCVKB-UHFFFAOYSA-N
-61B98128F3854C74_ACDA26ABBAD8708A_6041_UN,C[N]1N=NC2=C1N=CN=C2NC(C)C3C(C4=C(O3)C=CC=C4)C,LCLQTNRHFCDOSW-UHFFFAOYSA-N
-6296FC90CE8C1E2B_C0B7DA06A10AA44F_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCC4,UEHUVNFTJRJEQP-UHFFFAOYSA-N
-647012694645405C_B65BF78294507102_7022_UN,C1(=C(C(=CC=C1)Br)Cl)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,HIGSLZZCVGNOBK-UHFFFAOYSA-N
-69A079583B60A0DF_F643785A85649287_7022_UN,C1(=C(C=CC=C1F)Br)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,LSSUSYQHTOZCEQ-UHFFFAOYSA-N
-69EFADD8DFF58281_C612D03CD00BEF3D_6041_UN,C1(=CN=C2COCC[N]12)NC(C)C3=CC=C(C=C3)N(C)C,OUVGUNNFHPIGKD-UHFFFAOYSA-N
-6A8AB1FA27241652_F62EDE76557EA6AB_6041_UN,CC(C)C1=NC=C([N]1C)N[C@@H]2C3=C(OCC2)C=CC=C3,LPVMIVPYDKMPQJ-ZDUSSCGKSA-N
-6B8F84516AC80E7D_E9F951EA3D2CA724_6041_UN,C[N]1C=NC2=C1C=CN=C2NC3C(C)COC4=C3C=CC=C4,BGHZHTQZDYXCKU-UHFFFAOYSA-N
-6B9EF006C7398C15_4E3D7AEC3B82930E_6035_UN,CC(OC1=NC=CC(=C1)[S](=O)(=O)F)C2=C(C=CC=C2)N3CCN(C)CC3,AKVXWRHWMTYMCC-UHFFFAOYSA-N
-6C608550E3B5E30E_265170E083678131_6038_UN,CC(NC(CCC1=CC=C(N(C)C)C=C1)=O)CN(C)CCN2C(CCC2=O)=O,XNUDYMOTHYXKIS-UHFFFAOYSA-N
-6E0BADD14B4A238D_15F7C5D27A576E47_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4,UALYDJZXTSJAPJ-UHFFFAOYSA-N
-6E6FE97916F6E760_C8B6D9480FB093EE_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(C(CC)=O)CC3)=O,IGQDFTRDMGHDMY-UHFFFAOYSA-N
-6F0F865526D651D3_D077EAF1F8B1FDC7_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4)Cl,GVWVQRTWTXDXJY-UHFFFAOYSA-N
-70BFD349C4C6CEDA_739641D356C71C3A_6005_UN,CC1=C(C=C(C=C1)[S](=O)(=O)Cl)C3=C(CN2CCN(C)CC2)C=CC=C3,HWGQRDVCGSOAFG-UHFFFAOYSA-N
-725C31DA4477A9F6_A5EEB3FEA5147563_6041_UN,C[N]1N=NC2=C1C=CC=C2NC3CC(C)[N]4N=CN=C34,AUNRLKZATFEZNS-UHFFFAOYSA-N
-728527AE6C1CA656_C3EC9F9BBDF6D771_6041_UN,CN(C)C1=NC=NC(=C1)N[C@@H]2C3=C(OCC2)C=CC=C3,ZZJRSWLTQDIQGY-LBPRGKRZSA-N
-7378FE740852663B_6C5399B531088B5F_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,QYIPSTVDBJRKRG-UHFFFAOYSA-N
-746CA4AFA1133124_BC1F44982BFA6F37_6041_UN,C1(=NN=C2COCC[N]12)NC4=C(C3=CC=C(N(C)C)C=C3)C=CN=C4,MLQHUCUDLFAFCM-UHFFFAOYSA-N
-78E20A201CE3A647_07F7A5DF4A0FEFBA_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C(=CC=C3)Cl)CC4,ZMYOZSKGLCZIIK-UHFFFAOYSA-N
-794BC41EF154ECF9_D8F22A35C67D0FBD_6029_UN,O=C(C1=CN(CCC1)[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=CC=CC=C3,DHGKZKRSKOWVQF-UHFFFAOYSA-N
-7A1594BDCD4F6899_4AE662A7B6EDB3F5_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCC4)C5=NN=N[NH]5,CRUNPVLSYSKBCJ-UHFFFAOYSA-N
-7C4D94B2F85AC0AF_03131D81D5DEC2E6_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC(C)CC3=CC=C[N]3C)C,XCYWDQHCFWVQSP-UHFFFAOYSA-N
-7CDFA8E54DF8FEC0_9E2E06EF42A201D7_6041_UN,C[N]1N=NC(=N1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,SJRHTVKNQCLNOH-UHFFFAOYSA-N
-7F6331ECB1D1EA8B_F038A4B42C4EE380_6041_UN,CC1=NC(=NC(=C1)N[C@H]2C4=C(O[C@@H](C2)C3=CC=CC=C3)C=CC=C4)C,ITSHVGAOBPLIPH-QUCCMNQESA-N
-7FC8BAE48201B64A_DCB12B969C632D3A_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,UUWAKOVUXUYFAX-CYBMUJFWSA-N
-8204632BEA76FE65_3FDCD1007248E331_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CC)C=CC(=C3)[S](=O)(=O)Cl)=O,XPSLIEBBPYREOS-UHFFFAOYSA-N
-83565709EC413CBB_2A43D122290FFDB6_7009_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)NC(=O)C3=NNC(=O)CC3,AQANTADIPHKNIH-UHFFFAOYSA-N
-838BA95E895B8D10_5E40E38DF2533168_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=C(O[S](F)(=O)=O)C=C2)CC3)C=CC=C4,SOGGSEPWBGSGQM-UHFFFAOYSA-N
-841EC703ED7986C7_7D5D261489A33263_6041_UN,C1(=N[NH]C(=N1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,AEYHKNRUORPNKR-UHFFFAOYSA-N
-8ADA532C3041BE25_F45E81477E3200AE_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,LFJGHJKLLLKRRN-INIZCTEOSA-N
-8B71569A491E53FF_CE4D9687FC77AFED_6038_UN,C[C@H](NC(=O)C1=NNC(=O)CC1)C2=CC=C(C=C2)[S](=O)(=O)C,AJYKTMRTNGBJGB-VIFPVBQESA-N
-8EA965B321DD6B6D_9D05222BD74AE754_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)N4CC[S](=O)(=O)CC4,OAHIHWZHVCKHHD-UHFFFAOYSA-N
-8FA40731AE1A47FA_E083F8D648C88B6A_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(CC)C#N)C=C2)(=O)=O,CGSPUHLBDBQRKV-UHFFFAOYSA-N
-9014281C86248232_CA0D62AC4D9AB8E5_6029_UN,OC1=CC=C(C=C1)N2CCN(CC2)[S](C3=C(CO)C=C(C=C3)OC(F)F)(=O)=O,YXVPXRRKJIDWQA-UHFFFAOYSA-N
-91C91FB7CDACADEE_0AA9AE5F68423AB7_6041_UN,C[N]1N=CC2=C1C=CC(=C2)NC3CC(C)[N]4N=CN=C34,JPUNQYGLYWJHGM-UHFFFAOYSA-N
-92287269D5F53081_198010AAB644445E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCCC3)C4=CN=CC=C4,QCMMOJCNSBEVRK-UHFFFAOYSA-N
-934E7FB38FFBB2A1_BE9CFA1AC09E1171_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,TVPJPDGOBZXROZ-UHFFFAOYSA-N
-93658B8C7A194DF1_47E8FD795FF420E9_6041_UN,C[N]1N=NC2=C1C=CC(=C2)NC(C)C3=N[NH]C(=N3)C4=CC=CS4,NXSRXBPWGANPPG-UHFFFAOYSA-N
-9429FEBBB52B9522_DB3E4E087C514E26_6041_UN,C[N]1C=NC(=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,JTGDJUDABJNXSY-AWEZNQCLSA-N
-95A347465E51A0CF_EE718A25872FBA62_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)=O,DDDYVPXQHRZXKL-UHFFFAOYSA-N
-95B3C2D51142BDEC_C2165F519D507CA1_6006_UN,C1(=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCOC4,GXNZOLRHXYBVRA-UHFFFAOYSA-N
-979992DBC0861925_6B4634B83BECF39E_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(C)Br)C=C2)(=O)=O,GBVMBMDRMYXTHJ-UHFFFAOYSA-N
-979E83E7E3C25FC5_7B42C90EC22FC48C_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CCN(C)C)CC3)=O,ZODFSVDAPKWOFD-UHFFFAOYSA-N
-983865C6C58EEF38_19D9BA5439B80101_6029_UN,CCCOC(=O)C1=NN(CC1)[S](C2=C(CO)C=CC(=C2)C#N)(=O)=O,OVDMCGSAZRBXLT-UHFFFAOYSA-N
-9867B634828449BC_0D4E12319C334BFC_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CN=C(N3CCN(C)CC3)C=C4,NRFJYSHQMUNECY-UHFFFAOYSA-N
-98A8F71F4264CA7F_38C25DA29E7B939F_7022_UN,C1(=C(C(=CC=C1)F)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,OPKKXBDWBVKYLJ-UHFFFAOYSA-N
-991051185BFE4808_D5B808114FA5E25D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCN(C)CC3)C=C4,ATIHUOKVYROWTQ-UHFFFAOYSA-N
-99286728D16036E0_FB2930AC26136D14_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4,KISOJAVNCQYTCW-UHFFFAOYSA-N
-99C3AB1D800CB3CE_E2E6E421D7083639_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C([C@@H](C)O)C=C2)(=O)=O,UFGSJOYQMSUVBG-LLVKDONJSA-N
-9A9ADF47380CAC18_4E4341F587E137EF_6029_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O)C=CC=C4,DVHKBYFBRHUGQT-UHFFFAOYSA-N
-9B2C09E6D55881D6_A995C897C49EAB2B_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,SXNKTOAKKGJWPL-UHFFFAOYSA-N
-9B8FC83EEE207145_B795C751C3220FAB_7019_UN,CC(C)C2=NN=C(C=CC1=C(N(C)C)C=CN=C1)[N]2C,OTYWDEHJCPUXNX-UHFFFAOYSA-N
-9BFC6AAACAD6AE44_62136A2E5866A03D_6041_UN,CC1=NC(=NC(=C1)C)NC4C3=CC=C2C=CC=CC2=C3OCCC4,XPSAYIBFACIKSG-UHFFFAOYSA-N
-9E2A2E99E723CDAB_0BF734034A3D9D09_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C[N]3C)C,PUOROHIRDPYBRE-UHFFFAOYSA-N
-A064D284A562CADF_1ED9D1B91C650BED_6038_UN,O(CCCN1C(=O)CCC1=O)C(C2=CC=C(CN(C)C)C=C2)=O,BTOZZWNHORMYIK-UHFFFAOYSA-N
-A129D89FCE5F698B_36B3CB8FB092C41A_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,HTHHDNXKDVAXJM-UHFFFAOYSA-N
-A1CE3200E5FC5DC6_79E9AAA0821F77A1_7019_UN,CC(C)C3=NN=C(C=CC1=C(C)C2=C([N]1C)C=CC=C2)[N]3C,HFLIEXOODQHUMG-UHFFFAOYSA-N
-A2FC01D7DE34842F_3E02DF8DD3A44FC5_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,MYEAATKNZDDQRF-UHFFFAOYSA-N
-A3A1A774DEF88DA1_418908232891759D_6041_UN,C[N]1N=NC(=C1NC2=C(C(C)C)ON=C2)C3=CC=CC=C3,BYLFIRPUNMASEW-UHFFFAOYSA-N
-A5A3858018868467_87EC79B8219AF504_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,XDLYCVDUTUVGEI-UHFFFAOYSA-N
-A6A36DEA9405E3E3_9E4E39FC5EB7AC10_6041_UN,CN(C)C1=NC(=C(C=N1)N[C@@H]2C3=C(OCC2)C=CC=C3)C,DVHMQVHNVFNRBV-ZDUSSCGKSA-N
-A73AB442405E6394_9E0E9BB0BCB9551C_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4,YDZMKIAATIKLLN-UHFFFAOYSA-N
-A7A153943D8CFCC8_646A398B158F00C4_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC=C(C[N]3C=C(C)C=N3)C=C4)=O,BSMCCRLPOQQOMO-UHFFFAOYSA-N
-A82E61930A11BF99_C945E1AFEBBCB4E2_6038_UN,CC(NC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)CC3=NN=N[NH]3,AVMAFNKIFFEAHJ-UHFFFAOYSA-N
-A8DCCB304A5DB373_56C26B1402533AC5_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,DEMIUYPPDAWBFE-INIZCTEOSA-N
-A9B4AD12EE15007B_A77E18125DBDB169_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4,QEFUGLUCROOWIG-UHFFFAOYSA-N
-AB16D140A41C87BD_D510BE2ADC719DF9_7022_UN,C1(=C(C=CC=C1Cl)Cl)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,BHIYETDNQPWSGN-UHFFFAOYSA-N
-AE5555B53AB399B1_6C50FA4B49FB0731_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)N4CCN(C)CC4,CIVMIOKGKRHVHC-UHFFFAOYSA-N
-AF3148DFB2BB9D2E_46E7C7FD6B11C65A_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C(=CC=C3)Cl)CC4,KKJAPDJXPMRPGN-UHFFFAOYSA-N
-B0ECEA3F5BB26BB1_58F67C10E8D2CCA1_6041_UN,CC(C)C1=N[N](C(=C1)N[C@@H]2C3=C(OCC2)C=CC=C3)C,WLLMMXKADFWJEM-ZDUSSCGKSA-N
-B1007C7287386A54_7B731C6B5F940C50_7019_UN,CC(C)C3=NN=C(C=CC1=C(N=N[N]1C)C2=CC=CC=C2)[N]3C,IODVVIRTHGHXJI-UHFFFAOYSA-N
-B2B5A24AD2A44ED1_57863911F05EBEA4_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N3CCC(OC2=CC=C(C#N)C=C2)CC3,HILVUBMVHBNNHP-UHFFFAOYSA-N
-B330F897682E5988_96A62E5EE052F979_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4)Cl,MUYBVGIKNQQBPL-UHFFFAOYSA-N
-B3AFDBB2B30158B8_67FCC5B489DD2A6A_6041_UN,CC(C)C1=NC(=NC(=N1)NC2CCOC3=C2C=C(C=C3)F)N(C)C,GNWIEBZFASQWBW-UHFFFAOYSA-N
-B4A4CE7781BA03F5_5E74D5A3A636F5EC_6041_UN,CN(C)C1=NC=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,YQIYJSDNQLHECX-GFCCVEGCSA-N
-B5038C8C03A82FF3_1087D20B36B36BBF_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3Cl)CC4,QSNZSCRTCOLOPU-UHFFFAOYSA-N
-B537693E86DD7131_E6E8B99360727235_7022_UN,CC1=C(C=C(C=C1)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3)Cl,WOIMFQXJILOGEJ-UHFFFAOYSA-N
-B53A7C64F3F81519_FB4A1C9D824C6709_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=C3C(=CC=C2)OCO3)N(C)C,SDACCFWOXKXERE-UHFFFAOYSA-N
-B5516088ECDEEB87_207D5C2F146C1C44_6038_UN,CN(CCNC(CN1C(CC(C)(C)C1=O)=O)=O)C2=CC=CC=C2,JRHWAJCUJQRMSY-UHFFFAOYSA-N
-B5A1E54E826BDC5B_E15EE0EE5A375A26_6006_UN,C2(=C1C=CC=C(C1=NC=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCOC4,WURRAZALYCKPBF-UHFFFAOYSA-N
-B8D84B2941122043_D09F69D8610B5783_6029_UN,OC1(CN(C1)[S](C2=CN=CC(=C2C)C#C)(=O)=O)C3=CC=CC=C3,SLPQUWHRGICEHR-UHFFFAOYSA-N
-B97A49ADD0D76776_AB1CF1B82EAEE087_6029_UN,CN1CN(CC1=O)[S](C2=CC=C(C(OCC)=O)[NH]2)(=O)=O,CCKVOKGIAQMAJR-UHFFFAOYSA-N
-B993FDDF70EE8807_A339EBBE55A5564F_6003_UN,O(C1(CC#C)CCC1)C2=CC=C([S](C(F)(F)F)(=O)=O)C=C2,CUVYPUCLJVOAHM-UHFFFAOYSA-N
-B9C12D57D7006386_F15A666A57C009BB_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C3=CC(=C(C(N2CCN(C)CC2)=O)C=C3)C)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,MGSIBZHNSQCHBM-UHFFFAOYSA-N
-BD8CFA7D500554A4_1DA79501407C24E1_6038_UN,CC2=C(OC(CCC(C)(C)C1=CC=CC=C1)=O)C(=O)OC2,UPYRFLVSWYHJOL-UHFFFAOYSA-N
-C0B3AE7509C06A8D_61D2FFCE451F464C_6028_UN,O=C(C1=CN(CCC1)[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CC=CC=C3,CFFBRNLYBILMEV-UHFFFAOYSA-N
-C1DC05EE61A17211_7C77787DD2B2A7C4_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,METDBZGZJFGRJF-UHFFFAOYSA-N
-C2D126324D84766A_605B69B5FB5F18A1_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C(=CC=C4F)F,IXKVUVPTAUDOBM-HNNXBMFYSA-N
-C3C19B236B1D43A7_6734C7E9F75BDA64_7022_UN,C1(=C(C=CC=C1F)Cl)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,GTWZIFNHUOFUTN-UHFFFAOYSA-N
-C5F4537AE71152EC_C7C7E6ABEC07371E_6041_UN,C[N]1N=NC2=C1C=CC(=C2)NCC3=CON=C3C(C)C,ZBMWOUPBHAIHGP-UHFFFAOYSA-N
-C61F7A495E3CD258_8311D5CC49E2FB30_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C(=CC=C4F)F,IXKVUVPTAUDOBM-OAHLLOKOSA-N
-C8633DFDE4B81265_37F10DA568600F4D_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)CN4CCOC4=O,BRKBQHGCZVBJNC-UHFFFAOYSA-N
-C8816946903E8390_A701A883A4056BA3_6035_UN,CC1=CC=C(C=C1)N3CCC(OC2=NC=C(C=C2)[S](=O)(=O)F)C3,GSFUJVASBJSAGJ-UHFFFAOYSA-N
-C9321BA8BCB0D665_BF0F0ED124499E06_6038_UN,C[C@@H](NC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)CC3=NN=N[NH]3,AVMAFNKIFFEAHJ-SECBINFHSA-N
-C98E959E3330B48A_B9D3A645C9073923_6038_UN,CN(C)C3=NN=C(CNC(C2=NOC(C1=CC=C(C)C=C1)C2)=O)[NH]3,ZGPJNBFKQNZVNA-UHFFFAOYSA-N
-CBF23D3E72174184_1055CB83DDB54566_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4)Br,ZNNUOVJGJHUSOD-UHFFFAOYSA-N
-D1FC59737A916C4D_0A7A10D6EAE55D42_7019_UN,CC(C)C3=NN=C(C=CC2=CC1=C([N](C)C=N1)C=C2)[N]3C,URJZFZMNQDLEJS-UHFFFAOYSA-N
-D58EFB58B91F76A2_8BAB45FD5A1E6D23_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,IWVAXUJYJDMVSN-UHFFFAOYSA-N
-D7365F7ED9FD0973_D5E364A5F70BAA0F_6041_UN,C1(=NN=C2COCC[N]12)NC(C)C3=C(C=CC=C3)N(C)C,IGMWOHFNGIRNTN-UHFFFAOYSA-N
-D7DFDEEFAFC12E4C_B3380E6A7617C5E4_6041_UN,C1(=NN=C2COCC[N]12)NC(C)C3=CC=C(C=C3)N(C)C,ZFMZBANWBNRXBM-UHFFFAOYSA-N
-D82E5686C94A1A50_C80B8002E9CCDD5E_6035_UN,CC1=C(C=C(C=C1)N3CCC(OC2=NC=C(C=C2)[S](=O)(=O)F)CC3)C,MGDRWHIBKUKFNT-UHFFFAOYSA-N
-D9859BF6C9AE6BBE_3E466C3A3EDE1F02_7022_UN,C1(=C(C=CC=C1F)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,KBTCFLOAOBZKCO-UHFFFAOYSA-N
-DACD0988710470DF_23478F97F395854F_6041_UN,C[N]1N=NC2=C1C=CC=C2NC(C)C3=N[NH]C(=N3)C4=CC=CS4,YCONECSDPABTHF-UHFFFAOYSA-N
-DCB2E03A4C65F33B_65E248A1C55B93A1_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,FPSPSASJJQBYHU-OAHLLOKOSA-N
-DD95BB7B15B9E4F2_B3C6DEDCFA5CD180_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=NON=C3C)=O,JABQAVQQXOHLBE-CYBMUJFWSA-N
-DDBCCEE167913274_5D4DCD0CAA949E1B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCCC4=CC=C(N3CCN(C)CC3)C=C4,OCSGNCBCLJJTHW-UHFFFAOYSA-N
-DE3DE3D626CABB0E_65E160CB6C96FDE1_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CN3C(CC(C)(C)C3=O)=O)=O,JMKDCUUZUOSVEZ-UHFFFAOYSA-N
-DEA6045A33FECDC7_7B927BB67CB102D0_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=CC(=C2)[S](F)(=O)=O)CC3)C=CC=C4,GSSKSOYULMBUTA-UHFFFAOYSA-N
-DFEADFA3E97CA5BE_D105EF744B086666_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2F)F)[S](=O)(=O)Cl,PLDCXDHQYAQDOT-UHFFFAOYSA-N
-E0450B3B8D601687_1D55BC9F42A54BBA_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)C4=NC3=C(C=CC=C3)S4)N(C)C,FJXUFZJIOWXTJB-UHFFFAOYSA-N
-E0A8DB703D787140_8E9870A99BA3F36D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=C(N3CCCN(C)CC3)C=CC(=C4)F,OPEVUPYXZVSURV-UHFFFAOYSA-N
-E1636568E00F32D2_A5015939B1E0617E_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)N(C)C,CFXAUVSENHRQGX-AWEZNQCLSA-N
-E2920C379ABC2AEB_64205BAC66A3156F_6038_UN,CC1=N[NH]C(=C1)COC(C3=NN(C2=CC=C(C)C=C2)C(CC3)=O)=O,ZDLNOPWSOMGUNG-UHFFFAOYSA-N
-E3B476E2D483CBEC_468A771DD66B0CB3_6041_UN,C1(=NC(=NO1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,YTHNMZINNVZCAZ-UHFFFAOYSA-N
-E3B476E2D483CBEC_C7B2437E45727B02_6041_UN,C1(=NC(=NO1)C2=CC=CC=C2)NC3=C(C(C)C)ON=C3,YTHNMZINNVZCAZ-UHFFFAOYSA-N
-E408FD1CD91948CF_DD6ACE928F54EC52_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C(OC)C3=CN=CC=C3)=O,KTQNHJYVXVMSPD-UHFFFAOYSA-N
-E466F649013A0828_F9A3E8CC750D4339_7022_UN,C1(=C(C(=CC=C1)Cl)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,UUINTOKKENVHMT-UHFFFAOYSA-N
-E727980C7EFC9E31_3E421C2C1C888306_6029_UN,CC(C1CCN(CC1)[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,YHHWDDOLDRYACF-UHFFFAOYSA-N
-E83BB781D9EB432B_5B5B3825D5B84969_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C)C=NC=C3C)=O,FLEMKVLJTHUBKE-UHFFFAOYSA-N
-EA432A4762F64450_693FA36558314B97_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)[S](=O)(=O)Cl)Br,CLUUKECBVWXQKP-UHFFFAOYSA-N
-EAD17681A157ECE4_D32FE2385B08F2E7_6029_UN,N(CC1CC(C1)=O)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,VJISRYJPBRMZKT-UHFFFAOYSA-N
-EC17A1296AE29416_03871239332ACDE5_7022_UN,C1(=C(N=CC=C1)Br)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,RVWMRMDNWTWENK-UHFFFAOYSA-N
-EC9575172E6A6490_F478BC5773185A61_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=C(C)C=C3)N4CCCC4,KBPZEADCYBFWOC-UHFFFAOYSA-N
-EF4148E18FBBF96E_A0C1B77D34F4C1F6_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC(=CC=C2)C3=CC=CS3)N(C)C,GPJBFNLXXXOFMB-UHFFFAOYSA-N
-EFC90D51E27AE111_787512C286FAF923_6006_UN,C2(=C1C=CC=CC1=NC=C2[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCCC4,ZDGBLWSHUBHKNF-UHFFFAOYSA-N
-F02501789FB1B199_4346843458943D0A_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C(=CC(=C4)F)F,CMEOWELCTHXGCV-INIZCTEOSA-N
-F0524505B79EB747_B630C10BC4BD5857_6041_UN,CC2=NC(=C1C=CC=CC1=C2)NC3C4=C(SCC3)C=CC=C4,MHRNGHRQDMQVSF-UHFFFAOYSA-N
-F0DC3A816CD70BFF_7D5E398D1BD1C686_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4,NVCDQSLLEAXPMR-UHFFFAOYSA-N
-F14E8B7DED0F53C6_6690142184E7C0BA_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C,AEPDHQABKGTKHA-UHFFFAOYSA-N
-F2687D9B70877C4B_72F928F2542D127B_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,AWXCALVTHOUXFR-UHFFFAOYSA-N
-F2D09AECB44DFD8A_2764BC3940FD2EB5_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC3CC(C)[N]4N=CN=C34,XOVDMBPWUBUGND-UHFFFAOYSA-N
-F4EE308DC78D7AA6_CBD9FA7953D793D4_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,UUWAKOVUXUYFAX-ZDUSSCGKSA-N
-F6B6D5403239C4CE_1B23CC300A70617C_6038_UN,CC(OC(C2=CC1=C(C=CC(=C1)C)OC2)=O)C3=NN=N[N]3C,CDNZWSUWVBNYAC-UHFFFAOYSA-N
-F7998CFB1C9CD1CD_B5544D8BEC6B7992_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,HATGHCPEXMOQDN-UHFFFAOYSA-N
-FA9CA1A91F737E67_4AF67F0188B28595_6006_UN,C2(=C1C=CC=CC1=NC=C2[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCCC4,GMGWLDWKMGBNQD-UHFFFAOYSA-N
-FACD811ABC3F22FF_651793FEFAD2B268_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(C(CC)N(CC)CC)=O,YADPYPROKNXSJN-UHFFFAOYSA-N
-FAFB74BC6057A3A3_E60C934A5D05A31C_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)N(C)C,VJFRYDPLEVEWKK-UHFFFAOYSA-N
-FE04052F1B72AA93_530A2BFAD9071429_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCCC2=CC=C(C=C2)[S](=O)(=O)Cl)CC3)C=CC=C4,UZTVWPFSAZZJDC-UHFFFAOYSA-N
-FE07DCE18DA3DB8E_35A9DD00897335B5_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)C3=NC=CS3)N(C)C,ZRRISBMKGZLJAP-UHFFFAOYSA-N
-FE22A08CC37CB114_2246ABD0F2349E5C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(CN3CCN(C)CC3)C=C4,MVUTVFLPILCAFO-UHFFFAOYSA-N
-rxn:2:106805:162580,CCC(NCc1cccc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,SQRNSUZZUNKDMI-UHFFFAOYSA-N
-rxn:2:115504:149518,CC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCS(=O)(=O)CC2)cc1,ZTQDMNQJYRDYGB-UHFFFAOYSA-N
-rxn:2:117352:79791,CSc1ccc(C(CS(C)(=O)=O)NCC(c2ccc(C3CCCCC3)cc2)C2CC2)cc1,ROFHXMJQXZDWMB-UHFFFAOYSA-N
-rxn:2:134766:94440,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(C)CC2)nc1,MPXYJSPTPLZNLZ-UHFFFAOYSA-N
-rxn:2:75005:121598,CCC(CCNC(c1cccc(S(C)(=O)=O)c1)C1CC1)N1CCC(C)CC1,XETDXLQOVQSCOU-UHFFFAOYSA-N
-rxn:2:80372:162580,CCC(Nc1cc(C)ccc1N1CCN(C)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,NFKCIQFNYYXTAZ-UHFFFAOYSA-N
-rxn:2:82231:73911,CCOc1ccc(C(CS(C)(=O)=O)Nc2c(C3CCCC3)cccc2C2CCCC2)cc1,DWUCTXJZDOCORT-UHFFFAOYSA-N
-rxn:2:83881:162580,CCc1ccc(N2CCN(C)CC2)cc1NC(CC)c1ccc(N2CCS(=O)(=O)CC2)nc1,PIIVKZDAWJPESO-UHFFFAOYSA-N
-rxn:2:85575:137213,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCN(C)CC2)cc1,QPYGXVMPPNHPSA-UHFFFAOYSA-N
-02966BC091F5A226_8C77422B4F214E50_6031_UN,O(C(=O)C2=C1[NH]N=NC1=CC(=C2)Br)CC4=CC=C(N3CCN(C)CC3)C=C4,QMHGFSMCTPEAOB-UHFFFAOYSA-N
-062A2F5C5EA5F802_05D3626D81F309D9_6038_DP,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=NC=C(O)C=C3)=O,WAYJXOUDDXSVLY-UHFFFAOYSA-N
-0A05C26F01092ADC_B2ADECD1BD2190ED_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2=NC=C(C)C=C2)C=C3)(=O)=O)C4=CSC=C4,VVGKADFEUYRGRJ-UHFFFAOYSA-N
-0E715E7EBDE6EF2A_518B20FFBC150747_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4)Br,ZIZFVYCAIYSWQP-UHFFFAOYSA-N
-0EEC5681ECB697B1_0C74D8AC5E6285F8_6029_UN,C1CC(CN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=NC=CS4,KBLAQEGSMHRHQQ-UHFFFAOYSA-N
-1179B03189DC6DC6_623752BBE2041AB4_6041_UN,C1(=CC2=C(C=C1)COC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,HKWBILPLLYZNRT-UHFFFAOYSA-N
-13878E64CE4DD3EB_ABB067F62571705A_6031_UN,O(C(=O)CN1C(=O)CNC1=O)CC2=C(C(OC)=O)SC=C2,TYIFBWNRHTXHEJ-UHFFFAOYSA-N
-14D44245BDDF7074_6862F626E6F080AB_6029_DP,N1CCN(C(C1)C2=CC(=CC=C2)Cl)[S](C3=CC(=CS3)C)(=O)=O,KVSIIOXESJWFHG-UHFFFAOYSA-N
-17FEA3CA1BB0EB85_C09F84B52173F649_6029_UN,CC1=CC2=C(C=C1)CN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,NDSNALVXNOWKPY-UHFFFAOYSA-N
-19FE136F1943651C_9C6000F9A3A5E2E1_6029_UN,C1CN(CCN(C1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CC=NC=C3,MLQQIMODCGDAIX-AWEZNQCLSA-N
-1B9C46EAA179E5EC_BBA242FB7E1BFA16_6029_UN,CC(N(C1CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,CPAMXBJFWMKGMH-PKDNWHCCSA-N
-1CD70A891B1F2A53_101E19C7C151DA22_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C3=CC(=NC4=C3C(=NO4)C(C)C)C5=CC=CO5)=O,XGGNIHWDUJCEAD-UHFFFAOYSA-N
-1F29C07AE497FE60_CB8F037A1C1B29A2_6028_UN,C1CC(CCN1[S](C2=C(C=CC(=N2)C3=CC=CC=C3)C#N)(=O)=O)C4=CSC=N4,HESJSAQQXDLREM-UHFFFAOYSA-N
-2032B409F77FCF20_EB3ED40E8E67E382_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,MNWFUCGJGWZMNU-UHFFFAOYSA-N
-27174F5A90826B1D_B813BEE0E6062537_6029_UN,C1C(CN1[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O)OC4=NC=CS4,OVIZHRMXJLXKEV-UHFFFAOYSA-N
-278285AAFBBAA627_588AD9F0B48827ED_6031_UN,O(C(=O)C2=C1N=N[NH]C1=CC(=C2)F)CC4=CC=C(N3CCN(C)CC3)C=C4,GSQRRCHVTMVOFQ-UHFFFAOYSA-N
-2D55EC221A234146_AD9E9E746CDA9772_6029_UN,CC1=CC(=CC=C1)CC2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,RBPBDKIGFIOPRR-UHFFFAOYSA-N
-3054BC998C92C57E_472879E5E82E8874_6038_UN,N(C1=CC(=CC=C1)C2=N[NH]N=C2)C([C@@]34C[C@@H](OC)[C@@H]3C4)=O,RENNYEBPDOLIKV-LNSITVRQSA-N
-306E874305D05820_7A922A7F7DD5F1D9_6038_UN,CCOC1=C(C=CC=N1)OCCOC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,OABTVFBWAABRQR-UHFFFAOYSA-N
-3281FC288C82CB8D_C598AABE8363F02F_6031_UN,O(C(=O)C2=C(C=C1N=N[NH]C1=C2)F)CC4=CC=C(N3CCN(C)CC3)C=C4,DLKWHUYFUKFASM-UHFFFAOYSA-N
-3887814569D38512_9B1105F990B0BF3C_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,JBCYEDKDIVZSDK-UHFFFAOYSA-N
-3D3C51E5518C9064_5B0C67E5EFB8FC1B_6029_UN,C1CN(CCN1[S](C2=CC(=C(S2)[S](=O)(=O)Cl)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,UJOFXWCZXRLIRV-UHFFFAOYSA-N
-422010BB4D227FD0_72718F8FEEB956B0_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC4C(N(C3=CC=C(OC)C=C3)C4)=O,WXGBRKVXTHTPAN-UHFFFAOYSA-N
-429B7EE79F64DE85_F7D32EA915467DF2_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=CC(=C([C@H](C)O)C=C4)F)(=O)=O,XMCJXTTXWHDWMJ-AWEZNQCLSA-N
-42CFD688B42D66BC_1D2FEA9725E464B7_6029_UN,CC1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=NC(=CC=C3)C,ITWYGNHMICJIKT-UHFFFAOYSA-N
-449FCD0080C06A78_46D76CDDAF1EE523_6038_UN,CC(NC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)C3=N[NH]N=N3,JAWUSAIWQCESTF-UHFFFAOYSA-N
-47F9867B1D4FE7CC_1DF14AE7B151A222_6029_UN,N(CC1=CC=C(C=C1)C2=CSC=N2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,XRWULBHYMREKOQ-UHFFFAOYSA-N
-48751B307EDD33E2_E6A4BDC781101737_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,HKRZPTGSLNSSCY-UHFFFAOYSA-N
-48FF1C89A0C20D62_65E2F36B18128ADF_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C(C[S](C)(=O)=O)C=CC=C3,YIBXPOKHFVXUHI-UHFFFAOYSA-N
-491A662266216AFD_F92FFDA71EA4DE5C_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4)Cl,QNKYFUQREGCVSK-UHFFFAOYSA-N
-4B3E6C19DC903B9F_E4D616FF3438D928_6029_UN,C3=CC1=C(C=C(C=C1)C2=COC=C2)[N]3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,KOZSRVHUTXUHBV-UHFFFAOYSA-N
-5764DBC2FADC02EB_06417785A9F7689E_6038_DP,N(C1=C(C=CC=C1)SC2=CC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,CWUGGARVIOLHAT-UHFFFAOYSA-N
-61B54CCB7B1EC265_C6B2B273A57C85DD_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4,KUOPXKZNABAXBK-UHFFFAOYSA-N
-62966446FD9729AC_4C18B5927D82BC8C_6029_UN,C1CN(CCN1[S](C3=NC2=C(O)N=CN=C2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,UJLMANRKLQGUKJ-UHFFFAOYSA-N
-63DE023D6BCA230E_7D53F7CA72AB675A_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4)Br,UKPNMGHCFJAKSQ-UHFFFAOYSA-N
-6A37A1AFC98EE3BF_E7EF49A592BDF0B4_6029_UN,N(C1=C(C(=CC=C1)Cl)[N]2C=CC=N2)[S](C3=CC=C(S3)C4CC4)(=O)=O,CPLAHXBMBBQCDP-UHFFFAOYSA-N
-6C133FDA1AC8D6B9_8939A1788BABF757_6035_UN,O(C(C1CCC1)C2=CC=C(C=C2)Br)C3=C(C[S](C)(=O)=O)C=CC=C3,USPAHINACFTUAM-UHFFFAOYSA-N
-726F22DAC241AEF1_A8B43057C3391CD4_6029_UN,C1CC(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CSC=N4,DJYBMOLTTQMDEE-UHFFFAOYSA-N
-752A7782F752E663_15B134C5A2909719_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,KTWQXOPBKIMTPI-UHFFFAOYSA-N
-7556637DB16CC327_5C80557E6D35E04A_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Br,BTSWSSWLWSBNAW-UHFFFAOYSA-N
-7610AEC249EE2ACD_E70B3CD7322579C1_6029_UN,C1CN(CCN1[S](C2=C(CO)SN=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,PZCTZMRSDMBOJQ-UHFFFAOYSA-N
-78136E89FDF0717A_C5CA2E8CC9478882_6038_UN,CCOC1=CC(=CN=C1)CCCOC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LFGNFUXRDCPUPP-UHFFFAOYSA-N
-7828AEC1F493F3D0_CFFC840131700EE7_6029_UN,C1CC(=CCN1[S](C3=CC2=C([N](C(F)F)C=C2)C=C3)(=O)=O)C4=NC=CS4,WUVQRUSIXOEEFA-UHFFFAOYSA-N
-7925718674C6CA53_DF21713EE64F2C50_6038_UN,O(C1=CC(=CC=C1)OC2CC2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,WNERDORWQYSONS-UHFFFAOYSA-N
-7967825A909BA513_C20FCC4CD1D5B687_6029_UN,C1CC(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=NC=CS4,GEDRAOQAQYJWHK-UHFFFAOYSA-N
-84305F282E859270_2FE3965DF06A6325_6029_UN,CC1CN(CCN1[S](C2=C(N=C(C(F)F)C=C2)Cl)(=O)=O)C3=CC=NC=C3,FLADPNRBTLLWMS-UHFFFAOYSA-N
-8664B6D7A2D44120_8304BED97B71535C_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=C(C=CC(=C4)[C@H](C)O)F)(=O)=O,QHMCXXTYOHKPKL-AWEZNQCLSA-N
-89E28F369551D46E_007A562049F5179D_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N4CCN(C3=CC=C(SC2=C(C=C(C)C=C2)C)C=C3)CC4,ODXCIIMAKKZNFK-UHFFFAOYSA-N
-8AA177653AE1FB57_E972CEDE8F02C74B_6029_UN,C1CC(CCN1[S](C3=CC=C(CC(O)C2=CC=C(C=C2)Cl)C=C3)(=O)=O)C4=CSC=C4,LWYBAUBLGCFWER-UHFFFAOYSA-N
-8C65C90D710EA541_EA1CFAE1D7F086FD_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3=NC=C(C(O)=O)C=C3)=O,FZMXRNXFHDAXDN-UHFFFAOYSA-N
-8C6BAB97611C51E6_5AAE268975BC1D5D_6029_UN,C1CC(=CCN1[S](C2=C(C=CC(=C2)F)C=C)(=O)=O)C3=NC=CS3,VTRRPAVMPNVXAL-UHFFFAOYSA-N
-8FC49B05BB488485_0064893C28DAD484_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2F)[N]3C=CC=C3)C)(=O)=O)C4=CSC=N4,UDNUMYBJFAILDQ-UHFFFAOYSA-N
-9216CE6C04A38AD1_B713E8E93913C443_6036_UN,CC(CI)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,HAXGNZFZWFVVIN-UHFFFAOYSA-N
-92B1294870ACACC7_92E18D205F456EBF_6031_UN,O(C(=O)C1=CC=C(S1)C2=N[NH]C=C2)CCCCC(C)C,ZEKZCKIQGWFRKX-UHFFFAOYSA-N
-92D1706F4BFF863E_EB818A53E732F219_6029_UN,OC1=C2C(=CC=C1)CN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,JDTLZDFLKPRZAS-UHFFFAOYSA-N
-933C1A57582AB329_E6B4813148D84421_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C(C[S](C)(=O)=O)C=CC=C3,FSAGGXXEGAYBCO-UHFFFAOYSA-N
-937C6647E94708A0_CED2D00D222519AF_6038_UN,CCOC1=CC(=CN=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,GVTUBJGFFBGTEM-UHFFFAOYSA-N
-9616F91AD9627DFD_6281EFFE3EC7DF2E_6029_UN,C1C=C(CN1[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=CN=CC=C4,DCTLAVLNASOKHV-UHFFFAOYSA-N
-97E6EA7F5E1078A8_432C5FE9076F7885_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]3[C@H](OC)COC3,CLGBMBCYUGAQCV-NWDGAFQWSA-N
-9D234AB6DAABE08C_00FF6952A4129024_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CC3=C(C=C2)OCO3,GWCZFORDOUWJSD-NSHDSACASA-N
-A2D910B3854696AF_CB2C676489A95C24_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=CC(=C3)O)=O,ZLRNJCKHPHNUKZ-UHFFFAOYSA-N
-A5F5A8DF451BC900_4FF382616CFCCB93_6029_UN,C1CC(=CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=NC=CS4,VNWIYFPWIRSUGI-UHFFFAOYSA-N
-A6E060A9C10C55A8_35E7A1AA79070ECE_6038_UN,C[C@@H](OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C3=N[NH]C=C3,JZJXHBMXKGUVAE-SECBINFHSA-N
-ABF0C4853994ACE3_515AC442EFF063AE_6038_UN,CC(NC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=N[NH]N=N3,NZGCFEIEVVAFQY-UHFFFAOYSA-N
-AE3CE0A6B0D04F76_EED37B4E1872A18B_6029_UN,N(C1=CC(=CC=C1)C2CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,QQCBOPKOFLENQX-UHFFFAOYSA-N
-B3B55895A1F734AA_E5516EC6A271F838_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(C)N=C(C=C3)F)(=O)=O,NBADSBIBNHSKGZ-UHFFFAOYSA-N
-B4BC1E6A63849AEA_9BB6C07BD16CF505_6029_UN,C1CN(CCN1[S](C2=C(OC(F)F)C=C(C=C2)F)(=O)=O)C3=NC=CC=N3,ROFLYVQYMHPRKU-UHFFFAOYSA-N
-B58F9BD4A8A8C1EF_11F03C446D4C34D8_6029_UN,C1CC(=CCN1[S](C2=C(F)C=CC(=C2)C#C)(=O)=O)C3=NC=CS3,LLHOZDKCRGJQPL-UHFFFAOYSA-N
-B9D5E77E375B5A87_CE781F2473606283_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3=NN=C(Cl)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,QASWJEORFHTYRH-UHFFFAOYSA-N
-BB1D132DD0A0AB9C_0CBD2A5F6C97C6A8_6029_UN,C1CC(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=CSC=N4,AUVMQRYGBFBNER-UHFFFAOYSA-N
-BBECD8A842730921_8FF9694CCE9FC617_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Br,LVCKGPLIRSJNHU-UHFFFAOYSA-N
-BBF9162E99EBB9F4_6F5FBB7768DBA876_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Br,LHXJEMQZHRZARF-UHFFFAOYSA-N
-BC2FB856DF6C7CE8_EDA1D9D4203DF201_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=C(C=C(C(C)O)C=C4)F)(=O)=O,MDAYJKHLXWCXJY-UHFFFAOYSA-N
-BC80E70A631E3DCF_C73E92F2A591AD49_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)C4=NC(=CC=C4)C,YVHKIRMCVQBDOA-UHFFFAOYSA-N
-BCAE6135162F9A9D_9150CA303E9C4ECF_6029_UN,C1CN(CCN1[S](C3=CC2=C(C(=CC(=C2)C)F)N=C3)(=O)=O)C4=NN=CC=N4,TVRUFXOKFDBQDU-UHFFFAOYSA-N
-BD292090C88D2D0E_D63993FF0EBB516B_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(OC)=O)[S](=O)(=O)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,JPQANOGMQUWDLL-UHFFFAOYSA-N
-BE3AF22AFCFE4111_324F608F41BC873E_6029_UN,C1C(CN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=NC=CC=C4,JZUHLYAFPWAXPW-UHFFFAOYSA-N
-BF7513DF8556E373_E2E27742F0C4F717_6029_UN,C1CC(=CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=NC=CS5,UXKBOZUKCNNJJZ-UHFFFAOYSA-N
-C015E1E895E3BCB9_6EC75C46D095DB85_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=CC=CS4,MBUBUVUCUPJTQK-UHFFFAOYSA-N
-C37CDD5C543EF99C_EB10C5829AA49A58_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=NN=CC=C3,SEVADCDXUDTFAM-LBPRGKRZSA-N
-C7187E3359C60912_C76C1C9DC1AD2462_6029_UN,OC(CN1C(SCC1)=N[S](C2=C(C)C=C(C=N2)Cl)(=O)=O)C3=CC=CC=C3,HHHMSUIWQMYKAP-UHFFFAOYSA-N
-C90529CE589E83A0_F908C25E16B1B3BF_6035_UN,O(C(C1CCNCC1)C2=CC=CC=C2)C3=C(C[S](C)(=O)=O)C=CC=C3,KEWUUPFVTUMQPA-UHFFFAOYSA-N
-C96E56B089014296_02592DAA1A13FB9A_6028_UN,C1CC(CCN1[S](C2=NC(=NC3=C2C(=CC=C3)F)C4=C(C)C=CC=C4)(=O)=O)C5=CSC=C5,SCFFRZVHZVLRDK-UHFFFAOYSA-N
-CA08C7588DFD845B_BD26F14CD30D91C2_6029_UN,C1CC(CCN1[S](C2=C(C)C=CS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,DRECQPFBUBZYQZ-UHFFFAOYSA-N
-CA08C7588DFD845B_E6AC294364C35B1F_6028_UN,C1CC(CCN1[S](C2=C(C)C=CS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,DRECQPFBUBZYQZ-UHFFFAOYSA-N
-CC3109022AA00AFF_AA159AFEEB445527_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,WQRSBWKXBGZQND-UHFFFAOYSA-N
-CFC068681C4B1581_CD0E252168CE81B6_6029_UN,N(C1=C(C=C(C=C1)Cl)[N]2C=CC=N2)[S](C3=CC=C(S3)C4CC4)(=O)=O,TWULXJDLZLQSIV-UHFFFAOYSA-N
-D0E7ACA38F2888B5_9B7364A113893E59_6039_UN,O(C1=CC=C(C=C1)N2CCOC2=O)CC3ON=C(C(C)C)C3,FAIDGGNUWIWPQP-UHFFFAOYSA-N
-D55AA2C9CB04A4B0_68F8F846F57F7CFD_6029_UN,N(C1=CC=C(C=C1)C2CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,PXEJDJCWHRQLIJ-UHFFFAOYSA-N
-D6F315EA9C8B2E7A_D9EC647E3ED17BA8_6038_UN,O(C1=CC=C(C=C1)CCC#C)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CKDUZIUXEINUCU-UHFFFAOYSA-N
-D73201D4BD0D9DAB_B6D85DFB0E793A0B_6028_UN,C1CC(CCN1[S](C2=NC(=NC3=C2C(=CC=C3)Cl)C4=C(C)C=CC=C4)(=O)=O)C5=CSC=C5,YAHKBTLSKNWKNZ-UHFFFAOYSA-N
-D7F38FFFF8A54FB7_BC268745CB718E2B_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Br,WLXTYYCQVWBFPR-UHFFFAOYSA-N
-DC4B086DA46A7C07_2F1B6A71E17D93C6_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3=C(C(O)=O)C=CC=N3)=O,AEDQIRLRXQLOKB-UHFFFAOYSA-N
-DD7018AD4B70CA61_7326386189846B51_6029_UN,C1C=C(CN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,DPDUPLDDFVTCAT-UHFFFAOYSA-N
-E196F3557AE3DC74_BE4CC5251C81ACDF_6029_UN,C1C=C(CN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=NC=CC=C5,FRKHCYZGQIAIGH-UHFFFAOYSA-N
-E2C5738CDCDB246B_05D0B5066ECD1864_6029_UN,C1CN(CCN1[S](C2=C(C=CN=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,MBQAVAZVMBCVMN-UHFFFAOYSA-N
-E54A20EEF8684E2C_F386F7FDDB6C251D_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=CC=C(Cl)C=C3)(=O)=O)C5=C4C=CSC4=NC=N5,FNSMYUCEJKLUTF-UHFFFAOYSA-N
-E685F99560D88A68_F8789B386E35671D_6029_UN,CC1=CC=C(C=C1)C2CCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,QPIMYVJKNRIDHG-UHFFFAOYSA-N
-E96D9D1A18451A49_988C5F94FF1F6881_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Br,MPJFJPOOWMDGLX-UHFFFAOYSA-N
-ED477C521F79A433_1ACAFBCBBB328EB2_6029_UN,C1CC(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=NC=NC=C4,WUYFMIFJWUBPDS-UHFFFAOYSA-N
-EE2F195B85DAF47A_9995A7E43B3F3C20_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C(CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,DGZHNDBOEZDSAO-UHFFFAOYSA-N
-F2B60D68C4926672_B6DB4153F480CBAC_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC(C)(C)N3CCNC3=O,JFFTXAPYWNRXRH-UHFFFAOYSA-N
-F5C124266884B8A7_B616660B2D14A71A_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N4CCN(C3=CC=C(SC2=C(C=C(C)C=C2)C)C=C3)CC4,UZRSDFFJNRVNOK-UHFFFAOYSA-N
-F73F8B3443348E6B_1902A44B98482E57_6038_DP,N(C1=C[NH]N=C1C2=NC=CC=C2)C(CCOCCO)=O,MIXQHGJPMOFGOG-UHFFFAOYSA-N
-FB3E98915F6580CE_48DC90EF49002C6C_6038_UN,CC(OC(=O)C2=C(C=C1N=N[NH]C1=C2)F)C3=C(C=CC=C3)N4CCN(C)CC4,OGZAJEDMVCDIOY-UHFFFAOYSA-N
-FD17877CBD51D4B0_D2ADA5ED10149E57_6041_UN,C1(=CC=C(C=C1)C2=NNC(C=C2)=O)N[C@H]4[C@H]([C@H]3[C@H](C)C3)C4,OXWQQWMUOBGEBS-HPAJIGNASA-N
-0021E9420E841C03_BFACE1FD9BA905B3_6035_UN,CC(OC1=NC=C(C=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCCC3,LXEMAAACBWOEFR-UHFFFAOYSA-N
-01E82E26E7D87A5B_8796BA61740F7F3B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(N=C(C)C=C3)N4CCCC4,UYFIUTYEFOKANM-UHFFFAOYSA-N
-023D0F5F1985AD5C_620AFD07DBF3EE2D_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,UJRIYDPQYWIOOX-UHFFFAOYSA-N
-02603AC7A9531B48_8A759DC66E376FBF_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCC4)C)C5CC5,IKCOSEAXJNOALH-UHFFFAOYSA-N
-02930FFD420C9C27_FC1E0EB1BB7F7327_6038_UN,CC(COC(C(C(C)C)N1C(=O)C=CC1=O)=O)CN(C)C,QKXKOEJCBQDALD-UHFFFAOYSA-N
-073F41AD36908F4E_39862B3D9B2732E6_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CCC(CC3=CC=C(C(C)C)C=C3)CC4,ACXWEJYKTTUCDB-UHFFFAOYSA-N
-078D5EDC8479069B_AF20A95E9DFD2926_6038_DP,OC(=O)[C@@H](NC(CC(C(OCC)=O)C(=O)C)=O)CC1=CC=CC=C1,DUWIHOMSNBPCAQ-KZUDCZAMSA-N
-0A0FCD52EF1FCF3C_4DD66FEC21FB842F_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C5=CN=CC=C5,ZFFVNWAWPKIDFP-UHFFFAOYSA-N
-0A6F996A367ED18B_3D1E128223F44418_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3=CC=C(C)C=C3)C4CC4,VCBAIFKTYSIKNZ-UHFFFAOYSA-N
-0D0FD0EDB2A8FCFB_2EEB3510FD7DBA83_6038_UN,N(CCOC1=CC(=CC(=C1)F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,YAVAKRZIVHEXGW-UHFFFAOYSA-N
-114023522A3ACE2D_31A57FD8B6CEF354_6041_UN,CC1=NN=C([N]1C)NC2=CC=C(C=C2)N4CCC3=C(C=CS3)C4,JMJQDXDRCSEMIK-UHFFFAOYSA-N
-11592264AE1F95B7_B70AA36911F10972_6029_UN,C1C=C(CN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CN=CC=C5,ONBGEZPNOQQOPE-UHFFFAOYSA-N
-134493739BBB61F0_BFC91D0A20EB6FF4_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=NC4=C3N=C(C)[NH]4)=O,YBGRUOCFQFFHNX-UHFFFAOYSA-N
-145C2ADD15DF8C79_960BD06806E11629_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)O[S](=O)(=O)O,SLKDWAGAAGVLAU-UHFFFAOYSA-N
-1A50EC7E6CAE5E19_C2223B7BA8893578_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4C(C3=CC=C(C(C)C)C=C3)CCCC4,CJBCAYLTVUMCEX-UHFFFAOYSA-N
-1AA91DAF5B65804E_FE582BD8FC5EAF5A_6029_UN,C1CC(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)N4CCCC5=C4C=CC=C5,KOZKZMOFOSYULF-UHFFFAOYSA-N
-1B6481C92687B81C_79EEEED9B22199CD_6029_UN,C1=C[N](C(=C1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,SFPBOINYYCINRF-UHFFFAOYSA-N
-1C3560F3CFD6443C_D45E68C0EF2DB1C5_6031_UN,CC1=NC(=NO1)C[N]2N=NC(=C2C)C(=O)OCC3=C(N(C)C)C=C(C=C3)Br,JMIYULOQGIQULQ-UHFFFAOYSA-N
-1CB5D439A74FE99E_65207C022F386786_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3CCC3)C4=CC=NC=C4,VLKKAPOMTMUOJZ-UHFFFAOYSA-N
-1D40233743CCF94A_BE07B5E0C49CA511_6031_UN,O(C(=O)C2=C(NC1=CC=CC=C1)OCC2=O)C[C@H](C3=N[NH]C(=N3)C)N,MOPOWGFCHHOJKY-LLVKDONJSA-N
-1DB83DBEBBEF26EA_633AFB6F1689896B_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=C(Cl)C=C(C=C3)Br)C4CCC4,FQHSCPNDFQKHOB-UHFFFAOYSA-N
-1E5970B134BEF00D_060E6B8E6F75ABD8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=C(C)C=CC=C3)CCC4,XUHYESPUYXVTOF-UHFFFAOYSA-N
-2078199E395F9856_EE7013D994DB213D_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,ARSYJNXQSQQIGI-IBGZPJMESA-N
-21E901A5ABB27183_92ACBD3E53ABD332_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N([S](=O)(=O)C3=CC(=CC=C3)C#N)C4=C[NH]N=C4,WYAVWWSJLKGFTP-UHFFFAOYSA-N
-249ED749C3777B49_4ADCC2BE983ECBE1_6029_UN,C1CC(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,VZSJKCYYMQOOFJ-UHFFFAOYSA-N
-27EF89D6288289D3_0CC1B82418D2C846_6036_UN,C(C1=CN=C(C=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,VWCAOLGXKSNLMQ-UHFFFAOYSA-N
-2912DAF18E669BD5_95375239EBB1B6EF_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC=C(CN(C)C)O2)=O)C=C3,YMYRQKSOIYUMFW-UHFFFAOYSA-N
-2ADDC7250D098C3C_C9D25A0896F3511D_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=CSC=C4,VDEVLKVCJFSUDH-UHFFFAOYSA-N
-2CD3C4D54450701E_7C551A4BC4639730_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,SPBGPMHEXXUHNF-UHFFFAOYSA-N
-2DF1B837B5F176F1_FFDE79221298FC70_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,NMFXZUQRFZGPPW-UHFFFAOYSA-N
-2E272E2ECC76174F_6F5648825C086803_6038_UN,CC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=C(C=CN=C2)C,VPCSRLAHXYVLFD-UHFFFAOYSA-N
-2E76338AD4E5C795_5D33B5ED73B2CEE0_6029_UN,C1C(CN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)[N]4C=CC=C4,YSRFGLOEAJKTHA-UHFFFAOYSA-N
-2EABDFFE3B0A3351_A1D2F4D4AA59778A_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,LJFXCDJDOLOJKH-UHFFFAOYSA-N
-31391798CD57F148_0961C1DD9983FBA6_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=C(C)[N]3C=NN=C3N=C4)=O,SDSVIVCJEDPCJL-MRXNPFEDSA-N
-31DCE321FA44CE1F_82774AB6E965484A_6005_UN,C1(=CN=N[N]1C2CNC2)C3=CC=CC(=C3F)C(N(C)C)=O,ZLAHYGJENUVPDM-UHFFFAOYSA-N
-323D9CB8B8F2FAD6_06B155330745FA23_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)Cl,KBLWTKVXKDYCOG-UHFFFAOYSA-N
-32639385E06D7ABB_E10F42EFE0A7FC92_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=C3)(=O)=O)C4=NC=CS4,QENISZDFMUZMMO-UHFFFAOYSA-N
-38684B5928246A44_F03C46401F81C985_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC([N]3C(=CC=C3C)C)CC4,WOZBYVFAZVDBPZ-UHFFFAOYSA-N
-38EB2B322705A2B2_8FE254D710A6EA0A_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC(=C(Cl)C=C3)Cl)C4CCCC4,ZSEHRZAGNYBDMK-UHFFFAOYSA-N
-39792F0EE936C6B8_E16F4A1CB2A0C4A7_6036_UN,C(C1=CC(=CC=C1)C2=NC=CC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,UDEWZAHTTUBDBB-UHFFFAOYSA-N
-39CE0598910DCA98_C502D35A8E55BBF5_6035_UN,C[C@H](OC1=CN=C(C=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCC3,YKYMHQTUEXWVCY-NSHDSACASA-N
-3C201C8893111906_F0E6432DB71C7F1B_6029_DP,N(CCC1=CC=C(C=C1)C#N)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,RQYDKVSAIDEFPO-UHFFFAOYSA-N
-3F224E14AB7482A9_CBF1C1DF6CCA567F_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,NAWUAFUMCGFIEK-UHFFFAOYSA-N
-40A5B85A61FF115D_2463E7DE2DBB4062_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C4=CC=CC(=C4)N5CC(O)C5)(=O)=O,NKPLCXXOWDCOTK-UHFFFAOYSA-N
-443121C9C847A2D5_FDD6B903D504ECC7_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,HPDMBWUGAWIPBK-UHFFFAOYSA-N
-44703AF560B59C57_07F57668F5EBCFF4_7019_UN,C(C2[N]1N=CN=C1CC2)=CC3=C(C)[N](C4=C3C=CC=C4)C,ZCRBHNQBFRJKKB-UHFFFAOYSA-N
-457B0BEBF137A780_633C73E3A2C40270_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@@H](C)C3=CN=CC=C3,QLUVBCBSHZQJAP-HNNXBMFYSA-N
-47302AD53C0BF539_5DF34C7778DCA96D_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,UUOUTKJWBSGQIW-UHFFFAOYSA-N
-47F3F10F68335DEB_223A3579D089BB49_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C(C)C)[N]2N=CC(=N2)N)=O,ZJXWSNQFBYNUOF-UHFFFAOYSA-N
-48173803A7D2EFDF_12EC71BFC93D66F3_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OCCC3)C(=CC=C4)F,YPEQJKVIIHMMMU-UHFFFAOYSA-N
-498A738AA6246179_07C703E3ED5E94C8_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=C(S3)C4CC4)(=O)=O)C5=CN=CC=C5,VHDMERARYKPQIO-UHFFFAOYSA-N
-4AC1DCAD04A4FE4B_E3FC1942D17EA24F_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,XIFDPLUUJFIZBJ-UHFFFAOYSA-N
-4F52E5F6B6CB9E30_62093B75187DEE89_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@H](C3CCC3)C4=CN=CC=C4,XWRPSWSIEBWTNO-JOCHJYFZSA-N
-4FAFF675ADC571B6_879E90F96735DF89_6041_UN,CC1=NN=C([N]1C)NC2=C(C=CC=C2)N4CCC3=C(C=CS3)C4,WMBHYNPQBKQMFI-UHFFFAOYSA-N
-4FEEEBCAEC157B57_C7504F63E51903B5_6029_UN,C1C=C(CN1[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,JSZLPSMZGSDJIY-UHFFFAOYSA-N
-5009C7A65BC91B6F_CAD87FAA73B15EE0_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC(=C(C)C=C3)C)CC4,LOTRGSVYLPGDSB-UHFFFAOYSA-N
-52E5BC3C540BD26C_DD5EA8DCF76612A7_6029_UN,C1C(CN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,GMKNUSFXAMXJQX-UHFFFAOYSA-N
-575CABC6B142E3FD_F13089BB1414C845_6038_UN,C[C@@H](OC(=O)C[N]1N=NN=C1C2=CSC=C2)CC(=O)N(C)C,ZECBHQNQMUXJIE-SECBINFHSA-N
-585DEC505A3BC73B_BD3FAA64CF6CBD39_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CC3=CC=NC=C3,WVMWPRRTJGOQST-UHFFFAOYSA-N
-5A3CE57817717BB3_209694EE08F77EE7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3=C(C)C=CC=N3)C4CCC4,DHMAFQMPFCHSGM-UHFFFAOYSA-N
-5ABB0E885EEB403A_96DD373D0F78F4D3_6034_UN,CC1=C(SC(N1CC3=CC(=C(N2CCN(C)CC2)C=C3)F)=O)[S](=O)(=O)Cl,INPBGKDAOCXVMP-UHFFFAOYSA-N
-5BB2D7E9F6430955_6BC789B233B77A83_6029_UN,C1C=C(CN1[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=NC=CC=C4,OEVRUOAEFAWFCA-UHFFFAOYSA-N
-5E672D6FE5E08BDC_F55C613554BA8768_7015_UN,CC1=CN=C(C=C1)N(C2=NC(=CC=C2)C#N)[S](=O)(=O)C3=CC4=C(C=C3)OCCC4,QJNITZLYYRLEGQ-UHFFFAOYSA-N
-601F6743A74289CC_54E529BDC25ED326_6038_UN,COCC(OC(=O)C(=O)CC1=CC=CC=C1)CC(C)C,ZTRWXEDXVBRWBA-UHFFFAOYSA-N
-60E330EFDB3865CF_91EE61549175A2E0_6038_UN,CCC1=C(C(=CC=C1)F)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,SCOFTJQIQHIWAZ-UHFFFAOYSA-N
-60FCDC712CFE7E63_C319883C6D37D4F7_6039_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)CC3ON=C(C(OC)=O)C3,JJONMZHXORBOTN-UHFFFAOYSA-N
-61FD97C7BF03C60D_95888B1C97BC689A_6034_UN,O=[N](=O)C1=NNC(=O)N1CCC#CC2=CN=C(C(OC)=O)C=C2,ATNRDYCXVSSDMI-UHFFFAOYSA-N
-62FA999E48F28B39_463426D742F67542_6036_UN,CC1=CN=C(C=C1)C2=CC(=CC=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,KQXMCTVKJRPHJM-UHFFFAOYSA-N
-664C090B8887DB18_31F6E653DB06B7BF_6006_UN,FC1=C(C=C(C=C1)C2=C(C)C=CC3=C2C=CC=N3)C(=O)N4CCNCC4,XAWBVQBYEAAUDJ-UHFFFAOYSA-N
-6904380BCF9FAEBB_A5C0D16F15DAF388_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3=CC=C(OC)C=C3)C4CC4,JAMYIIXXKDSCDM-UHFFFAOYSA-N
-6A6BA7A84832F2A4_515B8AE5D3820BF3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=C(C)C=C3)CCC4,UEGYUTOOGADULX-UHFFFAOYSA-N
-6C5AD858F5EC6B1A_BEB66F2824FD2CF7_6036_UN,C(C1=C(N=CC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,XEMCZSRJSOMWGG-UHFFFAOYSA-N
-6D7C05356F5C67FA_50D26640C9ACC037_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)CC4=C(C)C=CC(=C4)[S](=O)(=O)Cl,RGFAXZNAIBCESL-UHFFFAOYSA-N
-6DA28D31A4CC8279_F501D6F25A64F0A0_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=CC=NC=C3,WDNDBWXYOUTHRA-UHFFFAOYSA-N
-703597DDF92E40B4_F107DCDB4C6954B7_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]3C4=C(OCC3)C(=CC(=C4)F)F,FZSIJOJEPQIFJF-KRWDZBQOSA-N
-708B4D09F1B1D3F0_BEE092D40F10CE7E_6035_UN,CC(OC1=CN=C(C=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCCC3,NJMSXQIUIJPYQA-UHFFFAOYSA-N
-71697DF42529E92A_C713ABF56B7286EC_7019_UN,C(C2[N]1N=CN=C1CC2)=CC3=C(N(C)C)C=CC(=C3)F,UMRHCBRMWHNUGT-UHFFFAOYSA-N
-72F9403DE7D0FBF2_E100754887CD2010_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC=C(C=C2)O[S](=O)(=O)F)[N]3C4CCCC4,SCLPRWXGBNZLIX-UHFFFAOYSA-N
-742EF4A2A8A40069_79120C3F5F08F343_6038_DP,OC(=O)[C@@H](NC(CC(C(OCC)=O)C(=O)C)=O)C1=CC=CC=C1,OJIGSVWTISUKEF-PYMCNQPYSA-N
-74D4CFDEF54CA201_21E9023EBDCD27CD_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,ZUXCVYWFFYWFRH-UHFFFAOYSA-N
-777C74B6216E9989_92E02C0D33CFBCD0_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,OCNDJWOJEJKJGT-UHFFFAOYSA-N
-785AD9FB1A541F56_5046907794954717_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCN(C3=C(C=CC(=C3)C)C#N)CC4,VVKWYSYBGOHMTI-UHFFFAOYSA-N
-791F7693694A3142_A8423563309A98CC_7022_UN,CC1=C(C=C(C(=C1)N([S](C)(=O)=O)C2=NC=CC=C2)Cl)C3CC3,FZEVBDNNRLMVPU-UHFFFAOYSA-N
-7E13FACD5065EDA1_923DD973EA9281E7_6041_UN,C[N]2C=C1C=CC(=CC1=N2)NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4,MZKPXHYUZNYAFY-UHFFFAOYSA-N
-7E5E160846A981F6_4C90171492DB0A88_6041_UN,CN1CCC(CC1)OC2=CC(=NC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,CPYPNDOABPCWFK-SFHVURJKSA-N
-7EECA1607323D174_7EE4E39DFEFD26CD_6036_UN,C(C1=C(N=CC=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,DLZGXPIMXXARBA-UHFFFAOYSA-N
-80B056C18C2EAA3E_E48333FB16AE5378_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,COMLKFRHVADVRG-KRWDZBQOSA-N
-82142BFE649611A7_2BE84BBE16FA502F_2201_UN,CC3COCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,KRDZMNKCUZPURJ-UHFFFAOYSA-N
-835FD8073D6C48A2_6B3E251CF2FC2264_6029_UN,C1C=C(CN1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,NAGCEBVMKGEAFX-UHFFFAOYSA-N
-84BEE2349266A5C1_F5F54AA109C5C56B_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3ON=C(C2=C[N](C)N=C2)C3)=O,JYJVFTZJPKBUSA-UHFFFAOYSA-N
-84E69732F378C381_1B81E9A3CB46B0E0_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(C4)OC5=NC=CC=C5,RSLZVUAIMDYBFH-UHFFFAOYSA-N
-84FAD99A4F12736D_90E1A38189250B33_6041_UN,CC1=NN=C([N]1C2CC2)NC3=C(N(C)C)C=CC(=C3)F,DJIRFUKXDPLYGS-UHFFFAOYSA-N
-8504DBDE043DFE60_7B943B300C72B53E_6036_UN,C(C1=CSC=C1Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,BPUYIZWUWWRAPS-UHFFFAOYSA-N
-86C14834EC877FB0_D405B1A0142A3BAF_6003_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)C4=CC=C([S](Cl)(=O)=O)C=C4C#N,SNFJSXUKNGEZHU-UHFFFAOYSA-N
-8746C59AC5FC0B72_AAAE8735B82EAE67_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,SGLDWMYRDXAOHU-UHFFFAOYSA-N
-8853AFA044B35CF0_2B3481DEBCCA2A6C_2201_UN,CC3COC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,OZYLSBFWJCWHLK-UHFFFAOYSA-N
-8882EC843592542F_17572FB3007E1FF4_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(OC2=C(C=CC(=C2)C)C)CC3)Br,VQMOGMFMEDAHDQ-UHFFFAOYSA-N
-8918B183BCBFEAB3_AD7E1DED33A5B387_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC3=C(C)C=C(C=C3)N4CCSCC4,FLTRPYYUOJMJGD-UHFFFAOYSA-N
-89265B1B3F0D5414_BECF41BAC42EA000_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC=C(C)C=C3)CC4,ARVASMIMEVPYMS-UHFFFAOYSA-N
-8A6F016914314275_323FEAF11576046A_6038_UN,CN(C)CC1=C(C=CC(=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,NDCBVARIOLRMCA-UHFFFAOYSA-N
-8C857958F9028988_39BFF26A22436098_6029_UN,C1C=C(CN1[S](C2=NC(=CC=C2)OC3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,VIJTVXFAISISPG-UHFFFAOYSA-N
-8CE8427BD30A61BC_8CF49BDA8F12F8BE_6031_UN,CC(C)C1=NN=N[N]1CC(=O)OCC2=C(N(C)C)C=C(C=C2)Br,UNSQAQRRFAPUAT-UHFFFAOYSA-N
-8D1DEB13075B654D_1297EBF32BBAE868_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)(=O)=O)CC3)C,JVOMHPQEVQMIKN-UHFFFAOYSA-N
-8DEE2DDD458A6626_C00F42443795215D_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,HZVBDNPMHDMBBN-UHFFFAOYSA-N
-8F03878D84FD184E_6BCF89BC91E81694_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC3C4=C(OCCC3)C=C(C=C4)F,KTTVWIHRPBLXMP-UHFFFAOYSA-N
-904FA5C409BC45DE_864757A10609290A_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)N4CCC([N]3C(=CC=C3C)C)CC4,XUIKNBDHUHDBRO-UHFFFAOYSA-N
-922AAD27FB038B57_D4D686582261E48F_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC(=C(N3CCNCC3)C=C4)F,MCKUFSBMLZNJLC-UHFFFAOYSA-N
-9325D98C2F3C688A_A13B0CB7D5E5A5EE_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC=CC(=N2)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,DFKLGKPHDQFHCP-UHFFFAOYSA-N
-964858B515F2F526_BF60B9B25E5CCCD0_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCCCC4,DEESTZVCEMSLRF-UHFFFAOYSA-N
-97D58B2FC062E365_496D15FB9D5B0FA7_6026_DP,[S](=O)(=O)(C1=CC(=C(C=C1)OC2=CC=CC=C2)Br)NC3=C(CNC3)C#N,DAXLPEGLVFAQDG-UHFFFAOYSA-N
-98FCA57389B198F2_87ECEA4F0EB98419_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NCC(CC)=O,XMNWFAZLBJUTFL-UHFFFAOYSA-N
-99B573C19C0DD727_EF76E45CF8E57F81_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,DWVKXQPPYXMAQC-UHFFFAOYSA-N
-99DC847B6192398D_856C2E1940849750_6036_UN,C(CC1=CC(=CS1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,WJKBTWKPXJINPA-UHFFFAOYSA-N
-9A42B34FA3DE0130_9A8622079C05F204_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C=CC(=C4)C#N,GOMLZGDNEHDOIC-KRWDZBQOSA-N
-A0794A8F2525C3CF_54F0A8202A0842E1_6036_UN,C(C1=C(N=CC=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QVSWHBXAMXJGNT-UHFFFAOYSA-N
-A0A3DF923B3256E4_51110E6885793EFD_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,BEMUMXGWPCOTLD-UHFFFAOYSA-N
-A1A7F30B462277D0_7EA653C7BF0D617F_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,JMYJSQNOQDDGCD-OYRHEFFESA-N
-A22BC50DBCE9F61D_B5B6B0906541C4D2_2267_UN,CC1=C(SC(=C1)C#CC2=CC=CC(=C2)C3=NC=N[N]3C)C,MFMDRHHMHBJMKW-UHFFFAOYSA-N
-A24B2EB7AAF7F497_9A242051B9277183_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,SLIXJQCTBOLPQA-UHFFFAOYSA-N
-A2FDA6CC2B076427_1B01C99A60B91FC9_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@H]2CCOC3=C2C=C(CC)C=C3)C#N,TVOJZAHFZQQQBI-ZDUSSCGKSA-N
-A491BE1CC95A2EB3_D1ABF9B55DCE17D0_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)NC2CCCC2)C3=CC(=CC=C3)C4CCC4,DKJQFCYGWLXNPX-UHFFFAOYSA-N
-A49FA09EE4D81F90_E233FE68B9FA8CC7_6003_UN,CC1=CN=C(N=C1)N3CCC(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CC3,BBGQJTDLMRILFB-UHFFFAOYSA-N
-A5B0252E8BBBA44A_472BB0A2C79B449E_6029_UN,N(C1=C(CCC1)C#N)[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O,CLLBLRHCDLVLSX-UHFFFAOYSA-N
-A5B63462C3FE6252_79061D217B645479_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3=C2C=CC=NC2=C(C=C3)N4CCCCC4,HTEIHDFNYXGYOV-UHFFFAOYSA-N
-A879513862E701F2_26CD4FAD93E6D7C2_6038_UN,CN(C)CC1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,GLXJLHDTIGJVHC-UHFFFAOYSA-N
-A9D6ECB73C928114_941F00E1CC8A38F1_6036_UN,C(C1=CC(=CS1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ZVUYPZORDVCSBO-UHFFFAOYSA-N
-ADB4B8E612B75CCA_48BB6346BC03BF8E_6029_UN,C1C=C(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,ZGFSUSWWQBNDET-UHFFFAOYSA-N
-ADC7884D410799BD_7D66486E158D3C99_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)CC4=C(C)C=CC(=C4)[S](=O)(=O)F,WHVIQGNDVHWQFD-UHFFFAOYSA-N
-B075D938323D52FA_6B84E45A3B884206_6029_UN,C1=CC(=C[N]1[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=NC=CC=C4,QSFNTEPUOVJMLP-UHFFFAOYSA-N
-B149D044C2A9A781_250667BF201326BE_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,YEAPIPDCURUSLZ-UHFFFAOYSA-N
-B38ED29CF06F61F8_EDC705E34403A020_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,JFWCSLAYOGZGCE-UHFFFAOYSA-N
-B46E94AAB41772A0_BD72B3C2A64C8D0B_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC([N]3C(=CC=C3C)C)CC4,DBLNIYUTVNUAMG-UHFFFAOYSA-N
-BA3864735A0CA86A_DD1FFF757610A988_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC(C)C3=CC4=C(C=C3)OCCC4,UKFMVFHAOKWBFW-UHFFFAOYSA-N
-BA9D4A6425F22485_0EB8D481264F2C48_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,BSGXARKWSHXVBP-UHFFFAOYSA-N
-BAFFB967494FD13C_F7E9822A16B0D11F_7017_DP,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)CCC(C3=CC=C(N)C=C3)(F)CC4,LZKUWAZOZWRSIS-UHFFFAOYSA-N
-C093FD5D3D388958_C0B220F9443AF66C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3CC3)C4=CC=NC=C4,DOMVANLVDMUPPC-UHFFFAOYSA-N
-C83E837F65BBD716_04C109174F722112_6038_UN,CN(C)CC1=CC=C(C=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZDJDGJUNCPYCJL-UHFFFAOYSA-N
-CAC6996A4DC2FE71_88614ED038AC51F0_6026_UN,ClC1=CC=C(C=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,RRSINEAPPWCVIP-UHFFFAOYSA-N
-CB58B9649B935AE5_07177ECB9389A526_6041_UN,CN(CC1=CN=C(C=C1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,BISYSRQJQSMQNE-UHFFFAOYSA-N
-CB62B3DAF44C72F5_1B8E1C43C9195C97_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCC3=CC(=CC=C3)N4CCOC4=O,KNTQLXVSHFSHDS-UHFFFAOYSA-N
-CB86DCECF62DED22_F170EE6D7A33562D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3CC(C3)C4=CN=CC=C4,NSPXVOOISNDKLE-UHFFFAOYSA-N
-CBBCF1F1D835DA8D_CA8156224228384C_6036_UN,C(C1=CC(=CC=C1)C2=CN=CC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,QULJSUFYXNFBGW-UHFFFAOYSA-N
-CC4A937D5487333B_EC0B5F0D854936D2_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,OJOAPFMTNNJXOD-UHFFFAOYSA-N
-CC652401509FC327_311FB4D34E8EF7A8_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)OC5=NC=CC=C5,VWANCBLRZRGBGE-UHFFFAOYSA-N
-CD34EC94A0A1F10D_EFA8B9F9CE544E9D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC(C3=CC=C(C)C=C3)N4CCCC4,ILAXDFJDEUPUFA-UHFFFAOYSA-N
-D1262FAA3F0F0D95_79AB356E0F064DBD_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C)C=C3)C4,MXRPZULSVSYIMX-UHFFFAOYSA-N
-D4D63937BA893B28_FEC5B5C528DE4D6E_6041_UN,C1(=NN=C2COCC[N]12)NC3=C(C=C(N(C)C)C=C3)C,LYVLWXNSDPWTHU-UHFFFAOYSA-N
-D71D6B7A3887AF9A_ABF20DEA6B92178E_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)(=O)=O)CCC3)C,BPQIDGUTWBKRJH-UHFFFAOYSA-N
-D8D2222A5BC18804_EABA4242DD65123B_6029_DP,N(C1CCC(CC1)C2=CC=C(C=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,OLFGOXQDASNZKH-UHFFFAOYSA-N
-D8EA60057AC13418_4CECF98AE8BA1B56_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,GEYFXZSYRAQTSV-IBGZPJMESA-N
-D8FC2FFD0E1EE577_9F03CCCD45401B91_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,NKMHJEKQWLBOPO-UHFFFAOYSA-N
-DAD1CCA89DA7DBEC_511ACE9ADAE9C882_6036_UN,C(C1=CSC=C1Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,DYHHJMZDAIFNNR-UHFFFAOYSA-N
-DC5ADD27D00DBD3E_1D5A46A2968D09EE_6026_UN,FC1=CC=C(C=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,RBEOFINPNLNJOU-UHFFFAOYSA-N
-DF1CAB10D0CF38DE_3F09B5EF0581EBB2_6038_UN,O(C2CN(CC1=CC=C(C=C1)F)C2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,AKMNTYDWDCYMAX-UHFFFAOYSA-N
-DFFC763B08CA8E59_7FD88F101EC36ED7_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=C(C=CS3)C4CC4)(=O)=O)C5=CN=CC=C5,DTESODSCXMWWNE-UHFFFAOYSA-N
-E4AA69C8172148D4_1077DC6D6E3A0E76_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NCC(CCC)=O,AAMCISXQSIIIMA-UHFFFAOYSA-N
-E4CCD0689185483C_A0C9BAF3511780D6_6041_UN,C1(=CN=C2COCC[N]12)NC(C)C3=C(C=CC=C3)N(C)C,BWWBIYPGZZFFJG-UHFFFAOYSA-N
-E59EB4ADB1E425D1_36E104CF1088B9FF_2201_UN,CC3SCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,NIBZCXMXTWEGJA-UHFFFAOYSA-N
-E713ADA64832D16A_3DDF9945D908D2B1_6041_UN,CN1CCC(CC1)OC2=CC(=NC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,BGAXIMMULPHSBY-UHFFFAOYSA-N
-EA2BBEFF784D79F5_100079C66AB80EDC_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=C(C=CC=C2)N3CCOC3=O)[N](=O)=O,SKULLWFEPFBFQY-UHFFFAOYSA-N
-EB3190FC91A89CE1_BC397D2B80F8A233_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=CSC=C4,YJOQTXKWKBPQIA-UHFFFAOYSA-N
-F06B579FC8C86CEF_9EAE327E78200978_6036_UN,C(CC1=CSC=C1Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,LPUKKZPQLQQECK-UHFFFAOYSA-N
-F2B535F79EF873B3_A35383DA269A8061_6041_DP,OC(=O)CC1=C(N=CC=C1)NC2C(C3=C(OC2)C=CC=C3)=O,DYLDSKOVNZQXME-UHFFFAOYSA-N
-F396DC55A926E4C4_C41C6A75EB2B769D_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C)C=C3)C4,LSWZIVFTVWKWFH-UHFFFAOYSA-N
-F564773385CAC3A2_F31C6DFF9AE02013_2201_DP,CC3CNCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,LVPIPFCZRPTQGF-UHFFFAOYSA-N
-F6F38B8451341CFC_BCCC7F924A4794DF_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,QYTQALPZBBDJLT-UHFFFAOYSA-N
-F943C2AF7ABAD878_EF1ACA15170DDAA0_6026_UN,ClC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,ZTIBSZJXPAAVLE-UHFFFAOYSA-N
-F9D334089504F3BA_E4F2A3298DAC2855_6041_UN,C[N]1N=CC(=C1)C2=CC(=CC=C2)NC3CC[N]4C3=NC=C4C,LLWDEFDQGPSJQS-UHFFFAOYSA-N
-FB6F7190A898DF7B_504302F2F0E64FF1_6038_UN,CC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CCN(C)C,RGZWCEFLKSGOQM-UHFFFAOYSA-N
-FE58A5ACF4F26846_8A5B90BBF499A1D2_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]3C4=C(OCC3)C=CC(=C4)C#N,FIWWAVKWQXIANH-SFHVURJKSA-N
-FE7EFBDD9ACC1285_FA5597A21C04A256_6041_UN,CN(CC1=CN=C(C=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,BISYSRQJQSMQNE-KRWDZBQOSA-N
-rxn:2:100057:148296,CC1CCN(C(CNC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c2cccs2)CC1,ZUJKVIGZYXRDMR-UHFFFAOYSA-N
-rxn:2:107248:148296,CCN(c1ccccc1)C1CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,ISJAFFWYIZLBCW-UHFFFAOYSA-N
-rxn:2:111489:130197,CCC(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(C)CC2)nc1C,FZDJXOCFYCSGOT-UHFFFAOYSA-N
-rxn:2:111489:134221,CCC(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCN(C)CC2)cc1C,ZWCIVHXWDZKTNF-UHFFFAOYSA-N
-rxn:2:111489:140579,Cc1cc(N2CCN(C)CC2)c(C)cc1C(C)Nc1cccc(N2CCS(=O)(=O)CC2)c1,FXASDMPLADRPTK-UHFFFAOYSA-N
-rxn:2:111489:94533,CCN1CCN(CC(Nc2cccc(N3CCS(=O)(=O)CC3)c2)c2ccn(C)c2)CC1,BMUJODPSWLMTFJ-UHFFFAOYSA-N
-rxn:2:117208:151416,CC1CCN(Cc2cccc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,OZZQRWQVIKISHL-UHFFFAOYSA-N
-rxn:2:117352:107703,COc1ccc(C(CS(C)(=O)=O)NCC(c2ccc(C3CCCCC3)cc2)C2CC2)cc1,ZJFIUKNBYRLZHT-UHFFFAOYSA-N
-rxn:2:119255:148822,CCc1cc(C2CCCCC2)ccc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,WSJLFGCWNPWEES-UHFFFAOYSA-N
-rxn:2:119255:151416,CCc1cc(C2CCCCC2)ccc1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,IKMSHNXWRQHSLF-UHFFFAOYSA-N
-rxn:2:120226:163743,Cc1cccc(C2CCN(C3CC3)CC2NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)c1,MQUDNGGAIUBCBX-UHFFFAOYSA-N
-rxn:2:120418:149518,CC(NC1(C)CCN(c2ccc3c(c2)OCCO3)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,XMUPRIGXEHELED-UHFFFAOYSA-N
-rxn:2:123483:148822,CN1CCCCC1C(Cc1ccccn1)NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,ROZYAHDCSGFUOK-UHFFFAOYSA-N
-rxn:2:129408:163743,Cc1cc(N2CCN(C3CC3)CC2)ccc1NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,IQYOWGMNTBNFGD-UHFFFAOYSA-N
-rxn:2:134143:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(C)c(C3CCC(C)CC3)c2)C2CCCC2)cc1,TYMGWJCAZFBZFG-UHFFFAOYSA-N
-rxn:2:134642:148822,CCc1ccccc1N1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,OQXAWFIEOLZLQF-UHFFFAOYSA-N
-rxn:2:134766:103107,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCN(C)CC2)c(C)c1,GAEQGZDQSIKRDF-UHFFFAOYSA-N
-rxn:2:138407:153335,CCS(=O)(=O)c1ccc(C(Nc2cc(OC)cc(C3CCCCC3)c2)C2CCCC2)cc1,HYXKQYXHNZRHQZ-UHFFFAOYSA-N
-rxn:2:138627:110753,CCC(N[C@H]1CCOc2ccc(S(C)(=O)=O)cc21)C1CCN(c2ccc3c(c2)OCO3)C1,XYTAMJDGHQNSKO-LFNLJPBCSA-N
-rxn:2:139988:102111,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)CC1,MIWWKBKPXMHBDK-UHFFFAOYSA-N
-rxn:2:139988:126442,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1cnc(N2CCCCCC2)c(C)c1,ZTYNBCUHOBWOTK-UHFFFAOYSA-N
-rxn:2:139988:95340,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)C1,TYRVQQPPPQQEMC-UHFFFAOYSA-N
-rxn:2:157251:112206,CCC(Nc1cccc(-c2cccc(S(C)(=O)=O)c2)c1)C1CCN(C2CCCCC2)CC1,LINMHPJOYBWKTR-UHFFFAOYSA-N
-rxn:2:159323:112206,CCC(Nc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C1CCN(C2CCCCC2)CC1,UYQPFECIDZWDCW-UHFFFAOYSA-N
-rxn:2:66040:148822,CC1(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CCN(Cc2ccncc2)CC1,MFONIIWAUOBYMR-UHFFFAOYSA-N
-rxn:2:66420:171635,CCC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ccc(-c2cccc(N3CCCCC3)c2)cc1,ZXZVMMUNDQXOPJ-UHFFFAOYSA-N
-rxn:2:67832:137294,CCC(Nc1cc(N2CCCC2)ccc1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,NCFNSXVVWXXAGY-UHFFFAOYSA-N
-rxn:2:68222:107703,COc1ccc(C(CS(C)(=O)=O)Nc2ccc(C3CCCCC3)cc2N2CCCC2)cc1,KTRNWNHJGOREHZ-UHFFFAOYSA-N
-rxn:2:68222:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(C3CCCCC3)cc2N2CCCC2)C2CCCC2)cc1,VAXQMDRDWVVUKD-UHFFFAOYSA-N
-rxn:2:68222:79791,CSc1ccc(C(CS(C)(=O)=O)Nc2ccc(C3CCCCC3)cc2N2CCCC2)cc1,YAYBUOPVQBEGML-UHFFFAOYSA-N
-rxn:2:69444:162580,CCC(NCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,LJVNVNKKPJNIAN-UHFFFAOYSA-N
-rxn:2:69702:151416,CCN1CCC(c2cccc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,MMPWCCHHZJIEKM-UHFFFAOYSA-N
-rxn:2:70604:148296,CCCN1CCC(c2cccc(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,PJRVKFOXJAJMDU-UHFFFAOYSA-N
-rxn:2:74703:79791,CSc1ccc(C(CS(C)(=O)=O)NCC2CC(c3ccc(OC4CCCC4)cc3)C2)cc1,MBFVPSRDHRRCET-UHFFFAOYSA-N
-rxn:2:76743:148296,CCOc1ccc(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C1CCCCC1,VLXZLHHLUNYSMU-UHFFFAOYSA-N
-rxn:2:79107:149518,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,ATGMVVFQURSPSH-UHFFFAOYSA-N
-rxn:2:82615:140579,Cc1cc(N2CCN(C)CC2)c(C)cc1C(C)Nc1ccc(N2CCS(=O)(=O)CC2)cc1,QANAHSRVZKUGHW-UHFFFAOYSA-N
-rxn:2:85575:103107,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(N2CCN(C)CC2)c(C)c1,LRVPLCNHRHNBDU-UHFFFAOYSA-N
-rxn:2:85575:94440,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1,VEPMPKDELFVGGV-UHFFFAOYSA-N
-rxn:2:86318:148822,CCc1cc(N2CCCCC2)ccc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,ATTVLIKMABCYSQ-UHFFFAOYSA-N
-rxn:2:87210:162580,CCC(NCc1ccc(N2CCCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,AJACUEYJCAPIKN-UHFFFAOYSA-N
-rxn:2:87276:148822,CC1CCN(c2cccc(CNC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)n2)CC1,VHZCWLVPFPKEDV-UHFFFAOYSA-N
-rxn:2:89691:73911,CCOc1ccc(C(CS(C)(=O)=O)NC(c2ccc(C3CCCCC3)cc2)C2CCC2)cc1,IVIUBYDHZGROFS-UHFFFAOYSA-N
-rxn:2:89691:79791,CSc1ccc(C(CS(C)(=O)=O)NC(c2ccc(C3CCCCC3)cc2)C2CCC2)cc1,VUSGJJDUNNINMZ-UHFFFAOYSA-N
-rxn:2:90526:151416,CCc1cc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1N1CCCCC1,WVBDKJVDKJVJAI-UHFFFAOYSA-N
-rxn:2:93454:121598,Cc1ccc(N2CCN(CC3CC3)CC2)cc1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,PNGGLJPLINBSPQ-UHFFFAOYSA-N
-rxn:2:94537:107703,COc1ccc(C(CS(C)(=O)=O)Nc2cc(C3CCCCC3)ccc2N2CCCC2)cc1,JXTDFJQBLSDBIP-UHFFFAOYSA-N
-rxn:2:94537:131663,Cc1cccc(C(CCS(C)(=O)=O)Nc2cc(C3CCCCC3)ccc2N2CCCC2)c1,QHKULPLUEUYGIO-UHFFFAOYSA-N
-rxn:2:94537:79791,CSc1ccc(C(CS(C)(=O)=O)Nc2cc(C3CCCCC3)ccc2N2CCCC2)cc1,GBDDZBRKTAOZOZ-UHFFFAOYSA-N
-rxn:2:98134:148822,CC1CCCN(c2ncccc2CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,MSRXTLISTDGNFR-UHFFFAOYSA-N
-rxn:2:98188:162580,CCc1cc(N2CCN(C)CC2)ccc1NC(CC)c1ccc(N2CCS(=O)(=O)CC2)nc1,CWEILAPXKBSMJV-UHFFFAOYSA-N
-0027012E67EA563E_D3888C5385BBF005_6034_DP,CC1=CC(=CN(C1=O)CC34OC2(CCNCC2)C(C3)(N)C4)I,OJQBGHOMUJBKBY-UHFFFAOYSA-N
-00B7C1FFA6C8FBB7_67CA0F1E95E655D1_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3OCC[C@H]3C,YJFLFMVFNQTACR-BXKDBHETSA-N
-00DAF03E347E8EDA_BB38C64965E560C6_6006_UN,O=[N](=O)C2=C(C=C1N=CSC1=C2)C4=C3OC5=C(C3=CC=C4)C=CC=C5,KTVDBOWRKLSNKQ-UHFFFAOYSA-N
-0386FE4B2AE2AAF2_E033FC8EDFC7D702_6041_UN,C[C@H](N=C=O)C1=CC=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3,CEARTFDJYORAGM-KRWDZBQOSA-N
-0407A472D4C34615_0F54D9549C89BEB2_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(C)C=CC=C3S,DHHRYSSYAJRYLG-UHFFFAOYSA-N
-07ED8F18AF05AB99_0D194A7C2426BD52_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)N[C@@H]3CC[C@@H](C2=N[NH]C(=N2)C)CC3)F,NBRORCZVWDUDAU-JOCQHMNTSA-N
-0810E3A8188379FD_39CE58E323346061_6038_UN,COC(=O)C2C[C@H]1[C@@H](C[C@H]1C2)NC(CC34CC(C(OC)=O)(C3)C4)=O,WIQUCYKMQSAXNQ-ANODRTECSA-N
-08E80A2654302236_64EABDD417285452_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CC3=NC=CN=C3,IMXCFSHKSMSTKU-UHFFFAOYSA-N
-0928A15EEFEC91CE_C3ABAD3AD9006F2C_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC(C)C3=C[N](C=C3)C)C,PPOIJLDJCDXHGY-UHFFFAOYSA-N
-09539E8920066F82_E632E860306B58F1_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(Cl)C=C2)Cl)CCC3)C,WTDGMODJXUKDQV-UHFFFAOYSA-N
-0969FD74E96AE5FE_F38BDD4537C0F48D_6038_UN,COC(=O)[C@H]1CCC[C@H]1NC(CC23CC(C(OC)=O)(C2)C3)=O,SFXIWVXEURPPIN-FYROIQCASA-N
-097D15B68B5ADBD1_3D54655114811EC8_6038_DP,O(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,MWUIJHVKOQJIRY-UHFFFAOYSA-N
-0AAC6E5CBD55A113_FBF91B031CEE7306_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC3=C2CCN(C)C3)(=O)=O)C4=CC=CC=C4,IZKXVMDCMRVZKG-UHFFFAOYSA-N
-0B0B37B3C002B3AC_81734510D2DA205D_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC(=C(C=C3)Br)C)CC4,ICSDJXPQJUAGNL-UHFFFAOYSA-N
-0BA555088BF79D11_39F48B3B1F603A5C_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O)C=CC=C5,MLFVSYQIJYEWCD-UHFFFAOYSA-N
-0BE43279DA2F8DA8_3F43EF07217F1482_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C=CN=C3)N4CCCCC4,YIVVIRBVVRYTFV-UHFFFAOYSA-N
-0C9582FEBE75B831_AF767772923B2EE4_6029_UN,CC1=C2C(=CC=C1)CN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,RFNVAPXSYYJEDM-UHFFFAOYSA-N
-0E2099FC0E1E0BC3_71CCB141773203F5_7022_UN,C1(=C(C=CC(=C1)C(F)F)Cl)N2[S](CCN(C)CC2)(=O)=O,RHOPLZBAMGSIEQ-UHFFFAOYSA-N
-0F5A49F01BB411FD_C39FB2C514749699_6038_UN,O(C[C@H]1CC[C@H](CC1)C#N)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,ZJVHVQQEYSKXHG-IWMMJCBQSA-N
-0FD49F48E4E8D221_FB2F714F80CE0F8A_6029_UN,CC1=CC(=C(C=C1)C)N2CCN(CC2)[S](C4=C(Cl)C=C3OCCC3=C4)(=O)=O,REPWHLVYEFQGGL-UHFFFAOYSA-N
-10570F5F4DB8AF20_B1D2FE7D1D560DF8_6041_UN,CN1CCC(CC1)OC2=CC(=NC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,CPYPNDOABPCWFK-UHFFFAOYSA-N
-111A1C626E9E395C_FE718258BB319C0F_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC4=C(C=C3)OCO4,KFWSNLQOIRKEJL-UHFFFAOYSA-N
-124EAA1105AC71E8_7275879BB2C11FB4_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,JYWUJZDQUCDUEV-UHFFFAOYSA-N
-128897F48F8C4B6A_DA7F622529259A08_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CC3=NC=CC=C3,IJDCORNGXLDWRN-UHFFFAOYSA-N
-12FF53EF0044E97C_0EBA14FD6D05B0C7_6038_DP,CC[C@H](NC(C1[C@H]2CCNC[C@@H]12)=O)C(=O)OC3CCCCC3,CNXVXXUNRJSATL-MBOZISHXSA-N
-13BA58F6E11241F2_37235CB87A183F92_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C#N)C=CC=C3)CC4,JYDWEIYRDSATAV-UHFFFAOYSA-N
-145FBDAF903B2DC7_54F6072C69F2E00A_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3C4=C(SCC3)C=CC(=C4)F,HFCPVXHSVUMNLX-UHFFFAOYSA-N
-14A718622BEB2005_4C37E49B0F2F5699_2201_DP,CC1C6CCC(C2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5)N6,SNOWHVZPDFZVLC-UHFFFAOYSA-N
-162CC29937E9F209_D9614A53CD725EA6_6041_UN,SC1=C(C(=CC=C1)C#N)NCC2=NC(=N[NH]2)C3=CC=C(C=C3)F,MGMPBALPSGSBBE-UHFFFAOYSA-N
-172E95EBF84392AC_8A66CACD9E807C4D_6038_DP,COC[C@@H](OC(C1=CC=C2C(C)NCC[N]12)=O)CN=[N]#N,KHASYTMRUCNZQY-AXDSSHIGSA-N
-177A774B9E59CCE6_85B3566165CB30A6_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,ZTHBRDVDUYMFSX-UHFFFAOYSA-N
-185A716A09D612D6_9511A4758F4350B5_6028_UN,N(C1=CC2=C(C=C1)OC=CC2=O)[S](C5=NC3=C(C=CC=C3)C6=NC4=C(C=CC=C4)[N]56)(=O)=O,RMFGBUMEKJKEED-UHFFFAOYSA-N
-190548BDB73A30EF_E4622F550675A3FC_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2CC(C)(C)OC3=C2C=CC(=C3)F)C#N,LABDEOJECOPWAJ-UHFFFAOYSA-N
-198D9B683108FBE5_663D63AB29F7153F_6038_UN,COC(=O)C[C@H]1[C@@H](CCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,YVTDKCGDERPQRC-YKDGJLSTSA-N
-1999DCA4385C7489_EB6A4F143B060D9E_6031_UN,COC(=O)C13CC(C1)(C(=O)OC[C@H]2CC[C@@H](CC2)C#C)C3,NAQOBWPRYJPZRC-STZBCSTISA-N
-19A5ED8480430F4B_B89B18523E371B69_6038_DP,CC[C@H](NC([C@@H]1[C@H]2CN[C@@H]12)=O)C(=O)OC3CCCCC3,DXIXCLACOXOCGG-YVECIDJPSA-N
-1A1DBD429FAED2D2_6AF62394A46CAD49_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CN=C(C=C2)C#C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,RKNRHUPAPSALJV-UHFFFAOYSA-N
-1A5EAE50ECBAD72B_3B34A14FF6D4FF83_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN2CC3=NC=C(O3)C4=CC(=CC=C4)Cl,GVIKLONGHCWRKN-UHFFFAOYSA-N
-1B806BDEFB5149E5_ECB84A85C07DFDBC_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC2=CC3=C(C=C2)C4=C(O3)C=CC=C4,XOLVCRFHONDOJK-UHFFFAOYSA-N
-1BA40F1DD044D109_A8B7C182926CBC93_6038_UN,O(C1CC2CC1C3CC23)C(C45CC(C(OC)=O)(C4)C5)=O,IDBOUVQMYCSYIA-UHFFFAOYSA-N
-1BB6124DF60C98FE_CCB140A160D8EC41_6041_UN,C1(=CC=C(C=C1)N2CCCCC2=O)NC3=CC=C(CC[S](C)(=O)=O)C=C3,GSSPDQVRKAHDNR-UHFFFAOYSA-N
-1C63D5E683C75C44_8EE4AE1FB3F95017_6031_UN,CCN1C(CCC1=O)C(=O)OC[C@H]2[C@@H](CNC2)C3CC3,SDGIMQNGTGDEJB-VYAYZGMFSA-N
-1D86FB2B8ACCE027_CA4C716ACC67397D_6041_UN,COC1=C(N=C(C(=C1)NC[C@@H]2C[C@@H](CN2CC3=CSC(=N3)C)F)C)C#N,BWJZIEYYXILYFP-ZFWWWQNUSA-N
-1D88043C045D8B8C_4377B79B9807755A_6034_UN,CN1C=C(C(=NO)N)C(=O)N(C1=O)CC23CC(COC)(C2)CO3,UVFJFYXOQIENPE-UHFFFAOYSA-N
-1E1B518ED3E4AEDF_9BB9CDD0D409EC13_6038_UN,O(C1CC2CC1CC2F)C(C34CCC(OC)(CC3)C4)=O,GRLBXNAMOZGGON-UHFFFAOYSA-N
-1EEF4BA3C238B926_873FB6579858DF54_6038_DP,OC(=O)[C@]14C[C@H]1[C@H](NC(CC23CC(C(OC)=O)(C2)C3)=O)C4,LHKDZQLNPVOTEH-HSXBGMDXSA-N
-1F6660C74620DBB3_0757D844F7C09DF9_6038_UN,COC(=O)[C@@H]1CCC[C@@H]1NC(C23CC(C(OC)=O)(C2)C3)=O,IVRYNPMEPGDWKJ-YAGSZDGKSA-N
-211485A2CA8584DA_CE5F7BF3359C5653_6034_UN,SC1=NN=C(N1CC34CC2(CC(CC(C)(C2)C3)C4)C)C5=CC=C(C=C5)Cl,OMULMXRXPLYKJR-UHFFFAOYSA-N
-215049E8ADD5346C_28A0AB3F9C0391AD_6041_UN,COC1=CC(=C(N=C1)F)NCC23COC(C)(C2)CCC3,WFWRRILGMLCYAL-UHFFFAOYSA-N
-216969AF7C76ACBA_F454109179DA4E1E_6041_UN,SC4=NC1=C(C=C(C=C1)NC2=C3C(=CC=C2)C=CS3)C(=O)N4C5=CC=CC=C5,RDTKVTXDWPQNIH-UHFFFAOYSA-N
-21B0C9DED84ACAFF_A426DC6F5E5A2E6F_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2=CSC=C2)N3CCCC3=O,NQYXSXFBMUTKFQ-UHFFFAOYSA-N
-21B423857C5149CA_DA268CC8D7F27695_6041_UN,C1(=CC2=C(C=C1)SCCC2=O)NC4=CC3=NNC(N3C=C4)=O,FXUNJYYQAZUJRH-UHFFFAOYSA-N
-21D18286A0DE4138_DF98C8C1F4778143_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCN(CC3)C4=NC=CS4,HZJSWMUCWKMTDV-UHFFFAOYSA-N
-224F1576973F4127_352BA3E9D83D16B4_6038_DP,CC[C@H](NC([C@H]2[C@H]1CC[C@H]1CN2)=O)C(=O)OC3CCCCC3,XLHIWRDUJNSWFD-CYUUQNCZSA-N
-24A4F7869929910E_A3EACD89E4D66E47_6038_DP,N(C1=CC=C(C=C1)COC2=CC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,MRCYNZBJJMUJKD-UHFFFAOYSA-N
-24BBCB6CCC52C4F8_7868412A633F6815_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=C(N3CCN(C)CC3)C=CC=C4)=O,ARDQQSFRAPURHP-UHFFFAOYSA-N
-25696580508AE5AC_5A18A7F33C713A34_6038_DP,CC[C@H](NC([C@@H]1CCO[C@H]1C2CCNCC2)=O)C(=O)OC,GDIUTCASDRHKLP-AGIUHOORSA-N
-26925927C7E0C119_1526E25AE1F16B52_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NC(C)CC(C)(C)C,ZMAAELUZVSXGBZ-UHFFFAOYSA-N
-26CA1896F77EACCA_7820B1A9A9E1DAC9_6041_UN,SC4=NC1=C(C=C(C=C1)NCC2=NNC(=O)N2C3CC3)C(=O)N4CC=C,URLBZEFQZZLPMJ-UHFFFAOYSA-N
-280FBD9DBB4DF146_3F2C4BEB0712E811_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3=C(C)C=CC=N3)C4CCCC4,KETCNWAFYJZSRU-UHFFFAOYSA-N
-290844357F11D877_6C9B2D72724789F4_6038_UN,COC(=O)[C@H]1C[C@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,ADMKVVJUPKUHOE-LKWWYQRQSA-N
-29BC3EC996269797_956A733FF664E882_7017_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=C2N)C)C)CC3)I,SIFIWGGXQGUTLE-UHFFFAOYSA-N
-2A3F70C618DAEB84_64F63553C4C601E3_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=CN=C(C)C=C3,ZDZITEQYAIYVSM-UHFFFAOYSA-N
-2ABA244EE51AF5BB_2B4268E654629066_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCN(CC3)C4=NC=CS4,LKXMKLSIPSRFMC-UHFFFAOYSA-N
-2B2790D59773B563_A60D34C94FA39785_6029_UN,N(C2=C1N=CSC1=CC=C2Cl)[S](C4=CC3=CC=CC(=C3N=C4)O)(=O)=O,RPVGOFOIAQRAFW-UHFFFAOYSA-N
-2BB55454D44F6967_DD84ABA207997954_6038_DP,N(CCCC1=N[NH]C(=C1C#N)N)C(C2(CCNCC2)F)=O,FETIXIRUNQPANH-UHFFFAOYSA-N
-2D20ECEAAF65A7CD_46EFF69742D0A1B5_6034_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C[C@H]3[C@@H](CNC3)C4CC4)=O)Cl,GVMRNGSBDVZYBS-UWVGGRQHSA-N
-2EFDCD247CF05208_25C12D5561514A3E_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CCC4,IIDQOGGBTJSUDL-UHFFFAOYSA-N
-2F0B4805B90B8B6C_B172DC9EDF5F0293_6038_DP,CC[C@H](NC(CC1CNC2CCCCC12)=O)C(=O)OC,ZYNUVANEGVYGTR-ARAJFMJPSA-N
-2F33303EAD0065A7_DAA217C06451EC60_6039_UN,CC3=NC1=C(C=C(C=C1)COCCOC2=CC=C([S](Cl)(=O)=O)C=C2)S3,QPJFILCPGKVCDG-UHFFFAOYSA-N
-2F444D133081D135_54A156E7838EBEF9_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,JWFBQUQLRQKBTK-UHFFFAOYSA-N
-3024AD10AC0EC21B_45923EB112799B7E_6041_UN,C1(=CC2=C(C=C1)CSCC2=O)NC4=CC3=NNC(N3C=C4)=O,OOGVUVZKOOCMLY-UHFFFAOYSA-N
-308B38DC5CD802F5_E0D76A8E3A37DF94_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,GLPHGLNFBRONFM-UHFFFAOYSA-N
-30EA5075F2B942B5_665FDF11A113FF24_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3CNC[C@H]3C,VKCXIHOXVPULAX-KOLCDFICSA-N
-30FA0D86070F2EF1_6B3398A110E5AC14_6003_UN,O(C1=CC=CC=CC1=O)C3=CC=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C3,MFJWJXOPRVFSHD-UHFFFAOYSA-N
-31384AD4EFF5EB43_9E9D9623C3FD9E32_6026_UN,CCCOC1=CC=C(C=C1)[S](=O)(=O)N4CCN(C2=NC=NC3=C2C=C(Br)C=C3)CC4,MCAGIPKEUAHHFR-UHFFFAOYSA-N
-3245D68871D7F260_AACBD5934C022BFB_6034_UN,COC1=CC=C(C=C1)C2=NN=C(S)N(C2=O)CC34CC(C3)CO4,IYNZYHMHEXZYCV-UHFFFAOYSA-N
-32F4159715A72578_2710287C500F4497_6028_UN,N(C1=CC2=C(C=C1)OC(=N2)C4=C3C=CC=C(C3=CC=C4)Br)[S](C6=C5C=CC=CC5=NN=N6)(=O)=O,ONCRMWMQGIOFPD-UHFFFAOYSA-N
-3332573D116C6369_F7D48C04BC2A52BD_6035_UN,NCC1(C2CCC(C1)CC2)OC3=NC(=NC4=C(C#N)C=N[N]34)S,DBLJGDGJGSBZEK-UHFFFAOYSA-N
-33BC20840ACE5761_81F4545739C241C7_6038_UN,COC(=O)[C@@H]1C[C@@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,ADMKVVJUPKUHOE-FYROIQCASA-N
-33DAF8531835D957_1B3C7DACFD5F7D7B_6035_DP,O(C2=CC(=O)N(C1=CC=CC=C1)C3=C2C=CC=C3)C4=C(C(O)=O)C=CC=C4,QKVFNTQKRFSKMQ-UHFFFAOYSA-N
-3594E42B8D15BEB8_AF1E50469D933AEB_6038_DP,CC[C@H](NC(C1[C@@H]2CNC[C@H]12)=O)C(=O)OC3CCCCC3,FSFAOGVIHXTEGE-WJLOJVBCSA-N
-3602E0DE5F7DE172_0457610FB8E2E664_6005_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)C3=C(C=C(C=C3)C4CC4)Cl,LBOXGVJVLYADMN-UHFFFAOYSA-N
-36E10CD32FEF01DC_4A5F0039CA6756C8_6029_UN,FC(F)C1CCN(CC1)[S](C2=CC=C(CC)C=C2)(=O)=O,YPQBLABVBMDRKZ-UHFFFAOYSA-N
-36F2584E551786D3_1CB037630A7D1639_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCC#C[Si](C)(C)C)C,DWKMFRXYHZPWAD-UHFFFAOYSA-N
-37AF17DDE8CEAE88_89712B8862D610CB_6034_DP,CC(C)CC1=CC=C(C#N)C(=O)N1CC2CNCC23CNC3,WROBHZKASBJRCP-UHFFFAOYSA-N
-3966CA619157AEB9_86D65B83B08622C7_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=C(C)C=CC(=C2)[S](=O)(=O)F)CC3)C=CC=C4,UKIWHHIUMSAJCU-UHFFFAOYSA-N
-39FDA84BE496AE8F_E5E8D54EEFCC2DDD_6031_UN,O(C(=O)CC1=NN=N[NH]1)CC2=C(N(C)C)C=C(C=C2)Br,IJYOWXOWONJZTC-UHFFFAOYSA-N
-3A777B0D1DC126D5_F3B9E95037CA9BB0_6038_DP,N3C[C@H](OC(C2=NN(C1=C(C=C(C)C=C1)C)C(C2)=O)=O)CO3,SMCLWVZNNAVRSJ-NSHDSACASA-N
-3B1E28659DEC91FE_8ADC2D45FD566ED0_6041_DP,COC1=C(C=C(C(=C1)OC)N2CC(CC2=O)C(=O)O)NC35CC(OC34CNC4)(C)C5,ZLUWKRAVAWRXDT-UHFFFAOYSA-N
-3C268961BED01649_97EB7D406556A2A7_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NC45CCN(CC4)C5,YCSWVHIRAMWIMB-ZLOXQWCVSA-N
-3C28B34D785DBAC5_577C4AEAF4757F4B_6031_UN,CCN1CC(CCC1=O)C(=O)OC[C@H]2[C@@H](CNC2)C3CC3,UDMOAJRPGLYRDI-TTZKSVMKSA-N
-3CA7398A7ACFB7C7_4124CB6E2BE5BC14_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)C3=C(C=C(C)C=C3C)C,BCZFOHMGYOUFPX-UHFFFAOYSA-N
-3D5B1F868BAAC041_C62F6F8A0939890C_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,ADEACUNSPRIJLE-UHFFFAOYSA-N
-3EC2D1346ACA35B1_242E73114CF2BB17_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=CC=CS3,IKQSMANVZKVFBD-UHFFFAOYSA-N
-3FD5EE0EB3582A7B_C41CFC0F85B4ACD2_6004_UN,ONC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3,IAJUZDWDMHWPIW-UHFFFAOYSA-N
-40F8331CD33603E3_C68FEE30598DE7D7_6038_DP,CSCC[C@H](NC(C23CC(C1CNC1)(C2)C3)=O)C(=O)NO,AKTOCUBSYOVTCS-FNBIGBAISA-N
-4129DA613DA462AB_9F84EB3AAD2D5D44_6029_UN,N(C1=C(C=C(C=C1)C2=NC=NO2)Cl)[S](C3=CSC4=CC=CC(=C34)O)(=O)=O,RNDTYQPXVYJKGF-UHFFFAOYSA-N
-4136907E59CB146B_0F10223FFB63771D_6038_UN,COC(=O)C[C@H]1[C@@H](CCC1)NC(C23CC(C(OC)=O)(C2)C3)=O,UFYXFBXNYMPKPB-FYROIQCASA-N
-41F96EE68D17FAD7_FA9C1B069F399289_6038_UN,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,XTCWMIFUCQISQE-UHFFFAOYSA-N
-42B28329136571F5_27D16A5293CAD1CE_6038_DP,CC[C@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,DILFGHJYTLISGN-AGIUHOORSA-N
-43110181B046A85C_07075CD0394A1D9A_6038_UN,COC(=O)C[C@H]1C[C@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,OTNULXKRPQJYJQ-YHSCQJQJSA-N
-441DAAD57A40B7DD_6F3F10958AF56A35_6029_UN,C1CC3=C(CC1)C=C2CN(CCC2=C3)[S](C4=CC(=C(C(C)C)C=C4)F)(=O)=O,YHYFEBXKSCTXBP-UHFFFAOYSA-N
-44A693308FBAC116_701830279F00995B_6035_UN,O(C1=CC=CC=CC1=O)C2=CC=CC(=C2)CC(OC)=O,IFUUAWHHHJXLDU-UHFFFAOYSA-N
-467F769FD9D20CFF_DA70932B94BB09FF_6004_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2C3=CC4=C(C=C3)C=C(O)C=C4)Cl,WGHABLHGDFXTCT-UHFFFAOYSA-N
-46BAF20C8EA22FEE_E1A186248D6816E7_6038_DP,CC[C@H](NC([C@@H]1[C@H]2CCN[C@@H]12)=O)C(=O)OC3CCCCC3,RVRWPVUZNVYHDI-XJFOESAGSA-N
-471ED9B7E7D81CFA_DC0C78D347B26C60_6035_UN,NCC23CCC(COC1=C(C=NC(=N1)OC)F)(CC2)OC3,LUZZRUGAGZLKMN-UHFFFAOYSA-N
-47EFBA7E2DEA6DE1_7CA763D501631557_6039_UN,O(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C(O)=O)C=C3,OARVFZWMRPURNE-UHFFFAOYSA-N
-4813F97F511FC2E8_1ABCA2E84430D31B_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3C(CNCC3)C4=CC=CC=C4,MMLNDNUJWSFALS-UHFFFAOYSA-N
-4A33A0FC79EF398A_1C6F9938E096987A_6038_DP,CCC[C@@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,XSRRDCZQZLHPKQ-HZSPNIEDSA-N
-4A3DE5895EBA9239_1E25A04CE5B6B004_6004_DP,C1(=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=C3)C4=CC=C(O)C=C4,QZCPGYBEQUFIFB-UHFFFAOYSA-N
-4A63B8D6BD8BD32B_D7BD1E604C874AE0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3CCCCC3)C4=CN=CC=C4,YYHPSGSLRCARRM-UHFFFAOYSA-N
-4A96A6E63AB0577F_6B53E2D89683A349_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC=C(CC)C=C3,UVTHYQVXANYLSG-UHFFFAOYSA-N
-4AE6927E0CDD264B_660C87D704188253_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(F)C=CC=C3)CC4,WAASYVFEQCYYFM-UHFFFAOYSA-N
-4B8ED0B557ED9333_0DED697925D9085F_6035_UN,O(CC3CN1CC2CC1(C2)CO3)C4=CC(=C(C=C4N)F)OC,HXCFBPDQFLNNSO-UHFFFAOYSA-N
-4C7F5B97F21BC959_316B1292FE81A9C9_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,KMAFLZLMZMCGPB-UHFFFAOYSA-N
-4CCAE7A9FE372248_D7E210598767F43C_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,MKYFIYRSSLOWRN-UHFFFAOYSA-N
-4D053E772952B9CA_28E446FDBBFA6B67_6029_UN,C1C5=C(C2(C1)CN(CCC2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O)C=CC=C5,OPYVVUUEQHCSNZ-UHFFFAOYSA-N
-4DB8C324A5A991D1_4766EE1AC5DEE858_6006_DP,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=C(O)C=C3,LIDLTTDYXKENLI-UHFFFAOYSA-N
-4DCD641925C4FD14_BDF6EBACB02ED356_6041_UN,CCC1=CC(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2,OESQBIOUZDMBGP-UHFFFAOYSA-N
-50E58A16897787BE_D98ED15385157F29_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OCCC3)C=C(C=C4)F,VDHZTXSAKFKTIH-UHFFFAOYSA-N
-50E69573EC2CF583_AF2D3465FB2963AB_6005_DP,OC1=C(C=C(C=C1)C2=CC=CC(=C2)C(O)=O)C3=CC=CC=C3,XNYGVSIKTKUJPH-UHFFFAOYSA-N
-5175564D9A54AA12_164E7807497C6CAB_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CC(N)C4,PJVVPPLUHWQLOD-UHFFFAOYSA-N
-51EFBC04D340092E_C061378C3FC0B36E_6038_DP,CCC[C@H](NC([C@@H]1CCO[C@H]1C2CCNCC2)=O)C(=O)OC,NZNQQULTISPQAN-RDBSUJKOSA-N
-527BEEC452C62409_F706FE1759CC3729_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC(=C([S](C)(=O)=O)C=C2)F)[N]3C4CCCC4,ODFHUYBQUKDAOD-UHFFFAOYSA-N
-52991FF47F4B6712_A5C21870310BCC37_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,RWBHYXGCTCTAKQ-UHFFFAOYSA-N
-529E03CCE83BB9F5_603C1F6971479EFF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC5=CC=C(CN4CCN(C3=CC=CC(=C3)C)CC4)C=C5,VUIGYSBJZCBTJL-UHFFFAOYSA-N
-52C6972062B77DB5_9C2B0F362FD712A4_6041_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)NC3=CC=CC=C3,NZVVNVZNWJVYJJ-UHFFFAOYSA-N
-530F395061A88A55_BFC8AC9ABB6C86C0_6034_UN,C[N]2C=C1C(=O)N(C=NC1=N2)C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,RWHRBSLNYPWTLY-JSGCOSHPSA-N
-53D73E308EDD9A6E_E5B36062FBFCB4CE_6038_DP,COC(=O)C[C@H]1[C@@H](C[C@@H]1NC(C34CC(C2CNC2)(C3)C4)=O)O,BPNPBFVSDMYXCH-OSNAKNMZSA-N
-54495E1E9982C09A_769AEE85373D7CC7_6038_DP,OC(=O)[C@@H]1CCC[C@@H]1NC(CC23CC(C(OC)=O)(C2)C3)=O,NVWFGBDAXYRQNN-YAGSZDGKSA-N
-5531472276CCA855_979D2AC05F20FFFA_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)C5=NC=CC=C5,DKTXWXIVZMPEMR-UHFFFAOYSA-N
-55ECA5E5527EABBE_96008C3ED14FA5A2_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3[C@@H](CNC3)C4=CC=CC=C4,WYIYZXXLXDOOMM-RDJZCZTQSA-N
-566D7440761A4B15_4C3FB92EAB7ED6ED_6041_UN,CC1=C(C=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3)N=C=O,PTTMQPPXPJKGAU-UHFFFAOYSA-N
-580FB8651A47BF13_FA3D4FD5EC8CBBDF_6039_UN,CN3C(=NC(=CC1=CC(=C(C(=C1)F)OCC2=NSC(=N2)N(C)C)F)C3=O)C,FLPNUJXHHZVRSI-UHFFFAOYSA-N
-58357234CA71D786_6AEE71B94E43EEF3_6034_UN,CN1C(=O)N(C2=C1N=CC=N2)CC3CC3=CC4=C(C=CC=C4)Cl,ZAKHNVXTRBQDMR-UHFFFAOYSA-N
-584CA4D6B0BF77E2_26AD2D67E1E54CD0_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,IDAPADUYFOFIPS-UHFFFAOYSA-N
-58919AD0A6FFB73B_3594E8E6C5D91C30_6041_UN,SC1=C(C=C(C=C1)C#N)NC2=CC(=C(C=C2)C3=NN=CO3)F,IQOLUQGQZXTXPQ-UHFFFAOYSA-N
-59BBDC63D108281B_66936BCED4E8DBE3_6038_UN,CC(NC(C23CC1CC(CC(C1OC)C2)C3)=O)C(=O)NO,HSXHOTALNVJJID-UHFFFAOYSA-N
-5B0C2A63191FC262_D23C78514A3C153A_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3OC(C)(CNC3)C,FWWBNVNCWDSNQA-LBPRGKRZSA-N
-5C885A66D8F29BE6_EF41F6811AB41B9B_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(CC1CCC(C)CC1)=O)C2(C)C,ZYHURDMSDXQZCO-WUCCLRPBSA-N
-5CB750C2B201B33D_67AB9C96BD03D052_6041_UN,CC(C)C1=NN=C([NH]1)NCC2=CC(=C(N(C)C)C=C2)F,OFZZAGIYQIYNCT-UHFFFAOYSA-N
-5D538A2E33FDE6B3_76840D7BA7CBC76D_6035_UN,C[C@@]1([C@H]2C[C@@H](C1)[C@H](C2)N)OC3=N[NH]C(=N3)C4=NC=C(C=C4)Br,XTWBSYMBOIUPIU-HSBLTNELSA-N
-5D7F70C0BECD3E00_F79DE0063365C09E_6038_DP,COC(=O)C[C@H]1[C@@H](CCC1)NC(C23CC(C(O)=O)(C2)C3)=O,JJMLNUJJFSQIGD-KYAJGSDZSA-N
-5DC04A01BD224386_F1088FAB922267C2_6026_UN,ClC1=CC2=C(C=C1)C(=C[NH]2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,RFAYPIGANCWAJQ-UHFFFAOYSA-N
-5DD9180584235ADF_2DE17307043D3079_6031_UN,COC1=C(C=C(C(=C1)OC)N2CC(CC2=O)C(=O)OCC34CC(C)(C3)OC4)Cl,GNTTXNUNEQRRES-UHFFFAOYSA-N
-5F5A715F5C83FF4F_3F0F217F74FE2855_6038_DP,CCC[C@@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)OC,PNEWUMREAXUTHN-YNEHKIRRSA-N
-5FD5FCE3E77DC5C6_4348F69812EE0883_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=CC=C(C(C)(F)F)C=C3,CHLATBWMWOWPAK-UHFFFAOYSA-N
-615D8F739B3C245F_267F2FADB2171FBD_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC(=C(C)C=C2)[S](=O)(=O)F)[N]3C4CCCC4,RSOSUUWLSVKQBX-UHFFFAOYSA-N
-62F4F294039F1817_1A428BBA79E085B0_6038_DP,CCC(COC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)OC,CMNAEPKPGLNNJD-HEVMSJOKSA-N
-630A9DB716DE22CC_7581344F178EABB0_6034_UN,ClC1=NC=CN(C1=O)CC34CC2(CC(CC(C)(C2)C3)C4)C,XSDMESCKJWFFAM-UHFFFAOYSA-N
-6344692C685C462D_A05F1285A504EA56_6038_DP,CCCCCC(OC([C@H]2[C@H]1CCC[C@H]1CN2)=O)C(=O)OC,WALPQUZIHDVWHT-AHIBISHASA-N
-6395BACB44D22E36_8967642994B53B3F_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,OTIBRSOVNYNYPT-UHFFFAOYSA-N
-64F2400B6D053898_E763F2A63F431BC9_6038_UN,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(C34CC(CC)(C3)C4)=O,QMDSXMXIRLUSKH-MJBXONPWSA-N
-650E1F7744965F78_9771688660604715_6034_UN,BrC2=CN=C1N(C=CN1C2=O)CC45CC3(CC(CC(C)(C3)C4)C5)C,DHIFXKXGISZMAJ-UHFFFAOYSA-N
-65B96888B108BF3B_63A7F7736FAF42DE_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NCC(C(C)O)O,PPBUTMNXMVKCBK-UHFFFAOYSA-N
-662AF2B67F2C6343_42B86133D72A75DC_6038_UN,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1COC(C2=C(ON=C2OC)C3CC3)=O,ANFGQEGHRNNKBP-SNPRPXQTSA-N
-66DE8683259B9DD8_80F8ABC66E14D27B_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CN=C(CN(C)C)C=C3)=O,OTZDTMZIXVSVPJ-UHFFFAOYSA-N
-67E6FF394D11A3B6_EAA779EA9B10D24F_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC=C(C=C2)[S](=O)(=O)F)[N]3C4CCCC4,OLLUCWABECCJJK-UHFFFAOYSA-N
-685C2C1A2CC17CFF_025870095B203F53_6041_UN,O=[N](=O)C1=C(N=CC(=C1)NC2CC(C)(C)OC3=C2C=CC=C3)C#N,XRNJNHXHMFCXFB-UHFFFAOYSA-N
-6A3269FC606ECBE1_2C320D93B54956E0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3(CC3)C4=NC=CC=C4,RAKUOHWHZFIUEI-UHFFFAOYSA-N
-6A8593569AE43FCA_DDE1C002EFF8E2A3_6029_UN,CC1=CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,APSVGZYDZIDEKK-UHFFFAOYSA-N
-6AA4ECAF4D23C58E_F902552746ACE2C3_6038_DP,CCOC(=O)C3=CCC(NC([C@@H]1C[C@H]1C2CNC2)=O)C3,HSFYIYCPUSJBAR-LWNNLKQOSA-N
-6AF4011E2484B32C_2EB0D208A1701C45_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=NC=C[N]2C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,DZPRBXRWZLISMJ-UHFFFAOYSA-N
-6CE02AEA38C5717F_04E2830B28063F50_6038_DP,CC[C@H](NC([C@H]2[C@H]1C[C@H]1CN2)=O)C(=O)OC3CCCCC3,SERJFIHWDLFBAM-DOERSZECSA-N
-6CE40F626A17F5FC_A4F794C855E5A563_6041_UN,COC1=NC=C(C(=C1)NC34CC2CC(CC(C)(C2)C3)(C4)C)F,UFVYIXVBMFPZPP-UHFFFAOYSA-N
-6DD5C5981BB97FFE_D77A5EAC9FDD4EA8_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3=C(C)C=CC=C3S,DDRAHQJVULEISY-UHFFFAOYSA-N
-6EED371B608E5C3C_4BAC507C14CDB41E_6035_UN,CC1=C(C=C(C=C1)N3CCC(OC2=NC=CC(=C2)[S](=O)(=O)F)CC3)C,LBSUHERESNUKBA-UHFFFAOYSA-N
-6EED77566B0FE6AD_D6186C56827616F0_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,IFVSDBQXYGYNQG-UHFFFAOYSA-N
-705FC318414184E2_BFDC7D08533D0946_6026_UN,ClC1=CC2=C(C=C1)C(=C[NH]2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,XQVBRZYJCSTWDF-UHFFFAOYSA-N
-7241F392F8857D89_9C1C25B6965D6408_6006_DP,C1(=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=C(O)C=C3,IURCXIQRULDEEY-UHFFFAOYSA-N
-7282AC491FCF46AC_85334C61856D6F82_6034_UN,SC1=NN=C(N1CC34CC2(CC(CC(C)(C2)C3)C4)C)C5=C(C=CC=C5)Br,KISDEXAGCBEMRJ-UHFFFAOYSA-N
-72F7B81E8B5CD156_5C314EA5F11238CA_6029_UN,C1CC3=C(CC1)C=C2CN(CCC2=C3)[S](C5=C(C4(C)CC4)C=CC=C5)(=O)=O,GJWUJASSEUDFPK-UHFFFAOYSA-N
-73BC56DA051E5DC4_5B90BB5BD2F5125C_6035_UN,O(CC3CN1CC2CC1(C2)CO3)C4=CC(=C(C(=C4)OC)Br)OC,YQKRBJPAVKGRGV-UHFFFAOYSA-N
-769700E4B248EDD2_E41321DB171E8568_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,KBJFHWOZWKHFFR-UHFFFAOYSA-N
-76B182A90A12D6F5_7DCFCB43C2FDA08A_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,WHWZTDJUVSUKAN-UHFFFAOYSA-N
-76B182A90A12D6F5_8186B24EF24D9DC5_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,WHWZTDJUVSUKAN-UHFFFAOYSA-N
-778B19DE53536014_61E0E6FE0AB6B901_6004_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)C3=C(C=C(C=C3)C4CC4)F,UKQUHSOIWXTZML-UHFFFAOYSA-N
-77AC8CE3C86E4B4D_D49EEA9F5716A937_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@H]3CCOC4=C3C=C(C)C=C4C,UIMVGUSEHYDMBG-SFHVURJKSA-N
-7A2452345F338FEF_41020E79C84BA708_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,SISMPHSYAMTZIW-UHFFFAOYSA-N
-7A528375D8678A38_F475D0922AFC0218_7022_UN,COC1=C(C=C(C(=C1)NC34CC2CC(CC(C)(C2)C3)(C4)C)C5CC5)Cl,OSGDABLZFQQDCV-UHFFFAOYSA-N
-7A7ABE3695E03DF2_19FA0519522AEC26_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,IRXHHPVWUWMURU-UHFFFAOYSA-N
-7BCA0E5D5B84E18C_DB3F90812E7EF8EC_6004_UN,C1(=C(C=CC=C1)C(=O)C2=CC=CC=C2)C3=C(OC)C=CC(=C3)CO,YZGNLKWKIJLWRF-UHFFFAOYSA-N
-7C0BD4AAC2BB510D_EEC96F49E47A9F9E_6041_UN,OC(=O)C1=CC(=C(C=C1)NC2=C(N(CC)C)C=CC=C2)N3CCCC3=O,ZTZPJPGEZMXGQQ-UHFFFAOYSA-N
-7C989F8EE721E2B1_6E7A99D02554FFDB_6038_UN,COC(=O)[C@@H]1CCC[C@@H]1NC(CC23CC(C(OC)=O)(C2)C3)=O,SFXIWVXEURPPIN-LKWWYQRQSA-N
-7D4FCE0CD1BB18D2_AD3F02C597677400_6035_UN,CC1=C(C1COC2=NN=C3C(=C(Cl)N=C[N]23)N)[Si](C)(C)C,DQOGYWYAVCYSAO-UHFFFAOYSA-N
-7D50BD8FE74D45D4_DEEE37AB39E89995_6034_UN,NC2=CC(=O)[N]1N=CC=C1N2CC45CC3(CC(CC(C)(C3)C4)C5)C,YVSFCNZFYJTHKU-UHFFFAOYSA-N
-7D9B68532DE9BAD3_6E2A1D44EBDE7FB8_6038_UN,COC(=O)C[C@H]1C[C@H](CC1)NC(C23CC(C(OC)=O)(C2)C3)=O,BQLNDJKGLOFDOG-LKWWYQRQSA-N
-7DB560178E0E7018_23CDC5025DC8B788_6029_UN,C1CC3=C(CC1)C=C2CN(CCC2=C3)[S](C4=CC=C(C(C)C)C=C4)(=O)=O,GOHYQJSSSQVBGK-UHFFFAOYSA-N
-7EB1E1829852BDF9_B0D3CADDD2C44257_6041_UN,O=[N](=O)C2=C(N=C1C=CC=CC1=C2)NC3=CSC4=C3C=CC=N4,YHLHTCLYSDQSPQ-UHFFFAOYSA-N
-7F5525E10DBBB7B6_A3D7B9BCAE1663FE_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=CC=C(C=C4)C5=CSN=N5)(=O)=O,XHNLEOXXQNDKEC-UHFFFAOYSA-N
-7FE1BF03C6BC43EC_7A497F6C4F1377A3_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3CC[C@@H](C)O3,ZRWXDYHQISYJRF-BXKDBHETSA-N
-81E697C1124163D8_F6744F9893BE6947_6034_UN,COC1=CN(C(=NC1=O)C)CC23CCC(C)(CC2)CO3,FEXUHAHZMLKKTQ-UHFFFAOYSA-N
-832A0372AC8C4AC1_5E348E432A308F23_6003_UN,O(C1=CC=CC=C1)C3=CC=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C3,DIGYASCXPKODLJ-UHFFFAOYSA-N
-8395B54FDF567BA5_69AC601E22572916_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,JMIOCBPLCMWWQD-UHFFFAOYSA-N
-84E1B9C921C51320_E5322FABFFED7B5F_6034_UN,O=[N](=O)C1=CC2=C(N=C1)C=CN(C2=O)CC3=CC4=C(C=C3)OC=C4,VETWVSWWEDTTCE-UHFFFAOYSA-N
-85252AFD941FA706_96C329641D4C0222_6029_UN,C=C1CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,NQLSTVFKFYARKT-UHFFFAOYSA-N
-859C507761599951_4E8A28C745D5AA91_6035_UN,O(C1CCC(CC1)C(F)F)C2=C(C[S](C)(=O)=O)C=CC=C2,HNCGYDNDEYQPPA-UHFFFAOYSA-N
-85A91033E2C35EA1_34C9D55B1DC44989_6039_DP,N1CC(=CC1=O)OCC(N(CC2=CC=C(OCC)C=C2)C)=O,DFJQCNSELZFHCE-UHFFFAOYSA-N
-85EC988A4E845D8A_7DC376C2E45C37EA_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,MRKKUYRIQGFCJR-UHFFFAOYSA-N
-86246E86E03D2DB5_75164A99A9B32158_6004_UN,C[C@@H]2C[N]1C=C(C=C1C(=O)N2)C3=CC(=C(C=C3Cl)C4CC4)C,PTTGNXAFPDIKFB-LLVKDONJSA-N
-87CF80923DAE7907_342991D6D9CD220D_6038_DP,OC(=O)[C@H]1C[C@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,AQVMCWPWRFNJGY-YAGSZDGKSA-N
-87F198A62E6D44DC_41F347F197C6264A_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=CC(=CC=C3)NC4=CCOC4=O,VEJFLAHKDSLGMR-UHFFFAOYSA-N
-88F6BC0655E8185A_F7935E48D3A708AD_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,HADBBZLIFQSAMK-UHFFFAOYSA-N
-88FE1CD14A4105C5_27FC0B878B4C3B6F_6038_DP,CC[C@H](NC([C@H]2N[C@H]1CCC[C@H]1C2)=O)C(=O)OC3CCCCC3,WZOAWBKFJPAKNK-TUUVXOQKSA-N
-8A5FDCB9C4A092CC_818000D6BBFFBE92_6041_UN,ONC(=O)C1=CC=C(C=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,BEDNAMNGGQKDRP-UHFFFAOYSA-N
-8AD6EB0AFB274784_9B9EB25E1996A57E_6028_UN,N(C2=C1C=NC=CC1=CC=C2Cl)[S](C4=NN=C5[NH]C3=C(C=CC=C3)[N]45)(=O)=O,ASPRTKNNYHDRRK-UHFFFAOYSA-N
-8B05A37B86C7604F_AC48D5C385C1E21B_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,AJWBURQHTMGXOH-UHFFFAOYSA-N
-8BC6F898B4C6FE67_DA5C943A8289FB49_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC(=CC=C2)[S](=O)(=O)F)[N]3C4CCCC4,OKQYALCEMNVYOQ-UHFFFAOYSA-N
-8BCCF80E4B91C42A_7A3F4A7616196182_6038_UN,N(C1C3CC2CC(CC1C2)C3)C(C#CCC(C)(C)C)=O,YTSQCEZJOQJSTB-UHFFFAOYSA-N
-8CD2CFBB248F2FAD_1953DAB9CD3DC4DC_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C=CC(N(C)C)=O)=O,RYJXHYVKCDTEPH-UHFFFAOYSA-N
-8E03F558B16D42A7_14B069BF6689FE37_6004_DP,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=C(O)C=C3,YONYBZGKADBNCU-UHFFFAOYSA-N
-8EFDCC09D708842F_D0083CD17A94B7D3_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NC3(CN(C(OC)=O)C3)C,KBXGSRAGWOERPL-VHSXEESVSA-N
-8F46E527046BE1EE_306878F503A119F8_6039_UN,O(CC1CN2CCC1CC2)CC3=CC(=C(OC)C(=C3)F)F,PZLZYADLNPABPM-UHFFFAOYSA-N
-8FE0C967B4F5E54E_B6C0CF5B0D8EDD1F_6026_UN,FC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,XOVKPWPQQGGFRZ-UHFFFAOYSA-N
-9074363DE4D2D615_8FB4FBF028035198_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,ICKCEWMGAYZXPA-UHFFFAOYSA-N
-90ADFE706BC0EF05_E98EDF81BF10E21F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N4CCC(C3=CC=C(CC)C=C3)CC4,AQIXXGUAFYXGLT-UHFFFAOYSA-N
-913E2744E6440B15_C8A4D6B7559C05D9_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3C(CCCC3)C4=NC=CS4,PDMCMMPRKRPUJF-UHFFFAOYSA-N
-9230E3E8F7F1613F_26EC4F424D3D5638_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,IXPNHXUPAWWPIQ-UHFFFAOYSA-N
-92338891715AB2EF_0AB8D63A9228EC10_6004_UN,C1(=CC=C(C=C1)C(=O)C2CC2)C3=C(OC)C(=CC=C3)O,UGSHWIBWXXLAOE-UHFFFAOYSA-N
-9287D0EAC1E7E1ED_3153BB7F1B0D5BA3_6038_DP,CCC1=CC(=CC(=C1)NC(CC2=CCNCC2)=O)CC,YHVFOJHIYHSVIP-UHFFFAOYSA-N
-93665BB47387195F_95D445BB6BA1BF69_6039_DP,N1[C@H]4CC[C@@H]1C[C@H](OCC2=NC(=NO2)C3=CC(=C(C=C3)OC(F)F)OC)C4,HOJUEHMYPPNPPW-ITGUQSILSA-N
-941FFF06B3296892_E2E3D51AF095C0F0_6029_UN,C[C@H]1[C@@H](CC=CC1)N[S](C2=C(F)C=CC(=C2)C3=CN=NC=C3)(=O)=O,PJEYBSAUWXFUEW-MLGOLLRUSA-N
-94A70EB88A6365E3_2658BC29B4607036_6035_UN,NCC13CCC(CC1)(COC2=C(C=NC(=N2)OC)F)CO3,RUNFNIREPYLXSA-UHFFFAOYSA-N
-959EC3767176A904_61ECB129A1ABED9F_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3C[C@@H](C)OCC3,JNFMOLYBDBODIL-MNOVXSKESA-N
-96A272CE54CB6445_6137DA94222E68CB_6038_UN,CC23CCC(COC(C1=C(SN=C1OC)OC)=O)(CC2)OC3,LEWPNQPZSFIUMK-UHFFFAOYSA-N
-96DE1000DA82C529_947E29B2EB954D96_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,RKNXUUSDIUUHSJ-UHFFFAOYSA-N
-9793660DA05E2521_32D0514F61FFE4BA_7005_UN,COC1=CC(=CC2=C1[NH]C(=N2)C34CC(OC3C)(C)C4)C#N,NXAVCTYIAKEKOK-UHFFFAOYSA-N
-97EFE278208F3177_F9E87E88BB2E4305_6041_UN,SC4=NC1=C(C=C(C=C1)NC2=CC3=C(C=C2)C=CS3)C(=O)N4C5=CC=CC=C5,MRTBOFLNBWMPCF-UHFFFAOYSA-N
-9A19E4B07A873D1E_6F67900E81E87DCD_6031_UN,O(C(=O)[C@H]1NC[C@H](C1)CC2CCC2)CCNC(OC)=O,UMJVUAKMASBYFB-RYUDHWBXSA-N
-9B0EF2D081D1B950_A5BA45F092C29B9B_6038_UN,C[C@@H](NC(C23CC1CC(CC(C1OC)C2)C3)=O)C46CC5CC(CC(C4)C5)C6,KCKXIJAOCGGGPS-WRIJMRBLSA-N
-9B7EC30A677A890F_47E5B72B2C8000C7_6035_UN,NC1CC2(CCCC(C1)C2)OC3=NC(=NC4=C(C#N)C=N[N]34)S,RWWOYFGXKDVZOT-UHFFFAOYSA-N
-9C0D3E816A053915_FCEBB8C8CBC2114F_6026_UN,CC2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,ZORHVKYWFNFOQU-UHFFFAOYSA-N
-9C9B14862E0DBB19_9526B32134D6D46C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=C(C)C=CN=C3,QFXMHDMQIMFCSA-UHFFFAOYSA-N
-9DA48E7B22814060_20569FF3FC55D882_6039_DP,N1CC(=CC1=O)OCC(NCC2=CC=C(OC)C=C2)=O,QLTRZLXVRFDYDV-UHFFFAOYSA-N
-9DB0C9B993AFDB8E_5E6C5388E6EA1BE7_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CN=C(C=C2)[S](=O)(=O)F)[N]3C4CCCC4,IXZQZUAQSAPCGH-UHFFFAOYSA-N
-9E86839AAC55A62B_078ACC5165C99ED6_6038_UN,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C2=C(ON=C2OC)C3CC3)=O,FUVWCOBBMMYKNA-KWCYVHTRSA-N
-9EF66D82CA80831A_29211BAF9BEE8B7A_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC#C[Si](C)(C)C)C,BANYMRDJUNAVLU-UHFFFAOYSA-N
-9F258099C2E9FE35_587BBE8AA438B910_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC3CCOC4=C3C=C(C=C4)F,SKLOUHHFHWMVNS-UHFFFAOYSA-N
-9F34EBE986DF38DC_3CC728BBB5AA8321_6038_DP,OC(=O)[C@]14C[C@H]1[C@@H](NC(CC23CC(C(OC)=O)(C2)C3)=O)C4,LHKDZQLNPVOTEH-PNZHDNOISA-N
-9FBDCE66634BA90E_EA8825A4C525CAA7_6039_DP,N1CC(=CC1=O)OCC(NCC2=CC=CC(=C2)OC)=O,QRRYLWSKZFRGFE-UHFFFAOYSA-N
-9FEAF13B967B1797_E6E3E3379B7FC52B_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=CC(=C(C=C2)C3=NN=CO3)F,XLVGXOZMNZDUEI-UHFFFAOYSA-N
-A0EB1E05FD56914E_7CD150820466D571_6038_UN,CCC(NC(C23CC1CC(CC(C1OC)C2)C3)=O)C46CC5CC(CC(C4)C5)C6,NNFGOLADKQWRAI-UHFFFAOYSA-N
-A2C85AE55F943E7A_A86EDB4E39A6B5C0_6038_DP,COC(=O)C2C[C@H]1[C@@H](C[C@H]1C2)NC(C34CC(C(O)=O)(C3)C4)=O,OYVAUBZJGDHVIZ-WSCMSZCISA-N
-A2EB23D6EDFD7F97_14015C5A98DB4920_6041_UN,CC1=NC5=C(C(=C1)NC2=C(C=CC=C2N3CCCC3)N4CCCC4)C=CC=C5[N](=O)=O,OJNYUTWWEHKGGJ-UHFFFAOYSA-N
-A3FE6C6F69E8820C_77906B6D83FD8EA4_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CCC4,QNRAKJUAPXZYMP-UHFFFAOYSA-N
-A404BE29C30B0955_44644E8B40407DBF_6041_UN,CC1=C(C=CC(=C1F)C#N)NCC2=NN=C(N(C)C)[NH]2,NFXJHFGGLIEJNO-UHFFFAOYSA-N
-A42169D3F3242B40_B3233D2C90AB7CE0_6006_UN,C1(=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3)C4=CC=C(C(C)O)C=C4,KJGOXVXUIUWBTO-UHFFFAOYSA-N
-A42521C9040E67AC_B4BD67D1F77727EC_6022_UN,O=C1N=C(SC1=CC2=CSC3=C2C=CC=C3)C4=C(C=CC5=C4OCO5)F,JFFHNIBVANWNKP-UHFFFAOYSA-N
-A44B36102BF8F2A6_0828F992003B513C_6038_DP,CCC(CNC(C2[C@H]1CCCC[C@H]1CN2)=O)C(=O)OC,UWIDXLSSYNNPQR-ZFQMDJOTSA-N
-A4A358BCB223DFAE_1CCE82067D8F5062_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=NC=C3,UUJJVALEIWDMMH-UHFFFAOYSA-N
-A529A53A5B0D0805_9BDCE8E6B8871DE2_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3[C@@H](CNC3)F,RPLLWIOWTHOOKX-GXSJLCMTSA-N
-A630295CBBE95E33_F2ABDD571DC4F492_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=C(C)C=CC=C3)CC4,SFBBERLNLOFCAZ-UHFFFAOYSA-N
-A631687C27D80999_43F453D94D38CB36_6034_UN,CN1C=C(C#N)C(=O)N(C1=O)CC2=C(SC(=N2)C3CC3)Br,ATAPAFJMUYVVAZ-UHFFFAOYSA-N
-A77FB6965A05D599_AE80A4BC119E0121_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCC(C)CC3)C=C4,HVBLZYAYPAXVIJ-UHFFFAOYSA-N
-A83A4087BDCE0279_CAC5E8211636A955_6034_UN,COC1=NNC(=O)N(C1=O)CC23CCC(CN)(CC2)OC3,PXWVCBTUXFLRQF-UHFFFAOYSA-N
-A8D8294D236E444B_BD194911DE7C3AD2_6006_UN,C1(=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)COC4CCOC4,JYZPFEUCCSPMMJ-UHFFFAOYSA-N
-A8ED72E66A530379_EF727F7A6E3881D1_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC4=C(C=C3OCOC3=C4)S,SUORPOXCCLHFNJ-UHFFFAOYSA-N
-A99F332BE75F3438_35592E03D1CBC26F_6038_DP,CCC(CNC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)OC,ADSVLJQLDJFFID-HEVMSJOKSA-N
-AAB7827CF0C83406_B6210E7AAA44CA41_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=C(N2CCN(CC)CC2)C=CC=C3)F,QMXZFMIUEJYWCD-UHFFFAOYSA-N
-AB07E3AD9C2B66F1_AABBE65184988AE7_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C4=C(Cl)C=C3OCCC3=C4)(=O)=O,UJCAHHNXGJHIDS-UHFFFAOYSA-N
-ABCB04676046B8BD_017B4904D6A83A9C_6004_UN,O=[N](=O)C1=CC=C(S1)C2=CC3=C(C=C2)OC4=C3C=CC=C4,YYUDQMJXPCFRBT-UHFFFAOYSA-N
-ABCB04676046B8BD_34CE29C0FA947B54_6005_UN,O=[N](=O)C1=CC=C(S1)C2=CC3=C(C=C2)OC4=C3C=CC=C4,YYUDQMJXPCFRBT-UHFFFAOYSA-N
-ABCB04676046B8BD_ED9AFABFAB4FADDA_6006_UN,O=[N](=O)C1=CC=C(S1)C2=CC3=C(C=C2)OC4=C3C=CC=C4,YYUDQMJXPCFRBT-UHFFFAOYSA-N
-AD78CD0F581620E5_45ED7AEFF23BD2B7_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3CCC3,HGZCLDMDNZDPDK-UHFFFAOYSA-N
-ADD00C27D0A45853_DACBFC3E27653D2D_6034_UN,NC1=NC(=O)N(C=C1I)CC34CC2(CC(CC(C)(C2)C3)C4)C,MSUMBYAECFYPEA-UHFFFAOYSA-N
-AE0CFC994AD27862_7BE4DFBE0A9D1FA1_6006_UN,O=[N](=O)C2=C1C=C(N=CC1=CC=C2)C4=C3OC=CC3=CC=C4F,CTSUZQSNZHSYLM-UHFFFAOYSA-N
-AEF6EFED459B45AD_6D9613B75C29BA97_6038_UN,COCC23CC(COC(=O)C1CCCCN1N=O)(C2)OC3,DDEYJYVZOZZXEO-UHFFFAOYSA-N
-AF44E514509E417F_11591D3496B248E6_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3CNC[C@@H](C)O3,RXNIVECMSBKJPS-SKDRFNHKSA-N
-AFC0224ED379EB80_D643123ACDF1EB89_6038_UN,CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(C2=C(ON=C2OC)C3CC3)=O,FUVWCOBBMMYKNA-YUTCNCBUSA-N
-B2294228B5A9B8B1_5666E77598C0F3A8_6041_UN,SC1=NN=C(O1)C2=CC=C(S2)NC3=CC=C(C(=C3C)C#N)C#N,WZBJDUYFDAAKFW-UHFFFAOYSA-N
-B29EF7AF01DB3F15_9EC8426A0413E8BB_6038_DP,CCC[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)OC,PNEWUMREAXUTHN-XQQFMLRXSA-N
-B37B4A71024FF5E9_C7575DE41EA9AC8E_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N4CCC(C3=CC=C(CC)C=C3)CC4,XPDBPLLLCIXHSG-UHFFFAOYSA-N
-B4FE2BBB0742C78A_3415DB536B32A951_6038_DP,CC(OC(C23CC1CC(CC(C1OC)C2)C3)=O)CCO,BBQIXEUIPLFPTF-UHFFFAOYSA-N
-B54B9507F1D1890E_2D562C59738FEF01_6035_UN,O(C1=CC=CC=CC1=O)C2=C(OC)C=CC=C2C(=O)C,ZMZMXGGBKNEXCL-UHFFFAOYSA-N
-B5B8FE129B6D1514_216CF8DB3D5F6C65_6006_UN,C2(=C(C=C1C=CC=CC1=N2)C3=CC=CC=C3)C4=CC=C(C(C)O)C=C4,FZEHEXGVQHFPBL-UHFFFAOYSA-N
-B614BADF9C1F5279_687E8E1C63A4C705_6038_DP,CCC(NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,DILFGHJYTLISGN-YPHAAILGSA-N
-B628D9D493F964DC_33BB98473D43E5CC_6041_UN,COC1=CC(=C(N=C1)F)NCC23CCC(C)(CC2)CO3,XTCIJROWTSNNNW-UHFFFAOYSA-N
-B628D9D493F964DC_9475CC5A949ACC40_6041_UN,COC1=CC(=C(N=C1)F)NCC23CCC(C)(CC2)CO3,XTCIJROWTSNNNW-UHFFFAOYSA-N
-B6B00723BB5B9B16_189167376532D173_6034_UN,BrC1=CC(=CC=C1)C2=CSC3=C2C(N(C=N3)CC4CO[S](=O)O4)=O,BLFGNTXRGBGNKN-UHFFFAOYSA-N
-B70080CC1E5A0801_B31AEC9297C9658A_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(O)C=CC=C3,KEIDXNVXJRWWSK-UHFFFAOYSA-N
-B8E11B1B60FEB684_3066FBDD9FA30979_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=CC=C(C=C2)[N]3N=NC4=C3C=CC=C4,GHWZPFVSFZMPOR-UHFFFAOYSA-N
-B9641FCE9E3C301B_3EC377B15A1B9C63_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC3(CN(C(OC)=O)C3)C,HLROETDOOPSFJM-RKDXNWHRSA-N
-BC211A5133D57978_22488EA00226365B_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=C(C=C2)N3CCCCCC3)C=CC=C4[N](=O)=O,UUWRQTDOJKCEOG-UHFFFAOYSA-N
-BD4BEA7DBC0074EF_904903E61317339B_6038_UN,CCCC(NC(C23CC1CC(CC(C1OC)C2)C3)=O)C(=NO)O,LKUQTNGWMVPHDU-UHFFFAOYSA-N
-BE12E22EB4683AF6_85B3827B1F4061B1_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CC)C=NC=C3)=O,BHEYDUHIMBPLNM-UHFFFAOYSA-N
-BF8D494B9F39DF5F_F7E7CDAD3A465ABD_6041_DP,C[C@@H](N=C=O)C1=CC=C(C=C1)NC24CC(OC23CNC3)(C)C4,MSWZUAYGZMGGNX-UWTIGNOOSA-N
-BF98AC4D651CFBB1_3BD00AF61EAFB72E_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(OC)C=CC(=C2)C)=O,MLICDFJFHRGNPJ-UHFFFAOYSA-N
-BFA7788EE290CCE9_266DCDBB8741B796_6034_UN,NC(=N)NCCC1=CN(C=N1)CC2=NC=CC(=C2F)OC,NNWWOUJCBJFXPY-UHFFFAOYSA-N
-C053E64EC5E78048_BA4CBF8EEAFAEA65_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,JNNDBDVBQURDIB-UHFFFAOYSA-N
-C05AA009692C02D6_27D3092F6AFA5F2F_6006_UN,OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)O,NEQLGHIQSIRDTH-UHFFFAOYSA-N
-C162CCF0570045E3_63EC08AAB978C623_6035_UN,O(C1=COC=CC1=S)C2=CC=CC(=C2)N4C=NC3=C(C=C(N)C=C3)C4=O,AQWNQQWQFMITKC-UHFFFAOYSA-N
-C16C31041941F6EA_8CB8121193C59DC8_6004_UN,N[S](=O)(=O)C1=CC(=C(N=C1)Cl)C3=C(CN2CCN(C)CC2)C=CC=C3,BMBPBWKOPFLPSZ-UHFFFAOYSA-N
-C177B3C617C1E53B_91BE6FB9FC103DCA_6034_UN,CN1C=C(N)C(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CCOCC3,SPBYWQOUTCVPLB-RYUDHWBXSA-N
-C1C028EB93E25525_4B2C760327904D64_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,KGHMCLRQKJOWNE-UHFFFAOYSA-N
-C46238FE0CB8C0AA_05B66CE6A0D3EBD6_6038_UN,COC(=O)[C@H]1C[C@H](CC1)NC(C23CC(C(OC)=O)(C2)C3)=O,KAYSUJQNFBRCNW-YAGSZDGKSA-N
-C58DD08CC8DC5BF2_C89194566DD127C8_6028_UN,N(C2=C1N=C(C=CC1=CC=C2)Br)[S](C4=NN=C5[NH]C3=C(C=CC=C3)[N]45)(=O)=O,WWGJFHJBVCKHGT-UHFFFAOYSA-N
-C61203B80EAE3BA8_AB6275AD6CA7DE69_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=C(C)C=CC(=C2)[S](=O)(=O)Cl)CC3)C=CC=C4,HTHUEUDQOYFDNH-UHFFFAOYSA-N
-C67DC8E773A2974C_79132EDEB6CE54FC_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCN(CC3)C4=NC=CS4,TZWVHSYWQKPLAO-UHFFFAOYSA-N
-C7013E61ADA65954_D68DEF3C04E3DF71_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC[C@@H]3[C@H](C2=NN=C(C)[NH]2)OCC3)F,CICSVHMSZPHLNX-BXUZGUMPSA-N
-C712E270401FCD9B_7054B2F110C9EA3D_6038_UN,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(CC34CC(C(OC)=O)(C3)C4)=O,WIQUCYKMQSAXNQ-YBELRADQSA-N
-C7AC5EECA3842E0B_64CB92A1C3ECF631_6041_DP,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3=CC=C(CO)C=C3,GMNNGWMIMFPYTP-UHFFFAOYSA-N
-C7E8A06AB3645CCD_73E95E73DEA8C0DE_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NC=C2)F)[S](C3=CSC4=CC=CC(=C34)O)(=O)=O,XWXQWPRCPHCBAW-UHFFFAOYSA-N
-C894FDCC41951B27_38E0E95DEE385EA0_6038_UN,O(C[C@H]1CC[C@H](CC1)C#N)C(=O)C34CC2CC(CC(F)(C2)C3)C4,JYASCWSMPJUXHX-CWRQSNRTSA-N
-C8D216AB786FB3C4_E1F4315C0A5B3F9C_6038_DP,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(C34CC(C(O)=O)(C3)C4)=O,OYVAUBZJGDHVIZ-NFVARPEISA-N
-C8DC3D7BF04665CD_264A6288FCE64BAA_6029_UN,FC2=C1CN(CC1=CC=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,QTDLKBITSGYCLO-UHFFFAOYSA-N
-CA513441F0B21515_E4F6F2C8D626A8C2_6038_DP,OC(=O)C(NC([C@@H]1C[C@H]1C2CCNCC2)=O)CCC#N,ZMSMGFMCKWRJNG-WIKAKEFZSA-N
-CBA7BF1A58833A9C_8FE3FCCCCE9E7AA5_6041_UN,COC1=C(C=C(N=C1)F)NCC23CCC(C)(CC2)CO3,BCZZOVYYZTTYAT-UHFFFAOYSA-N
-CC4095728AFBBBCA_E33650A8B186BE40_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,LFJGHJKLLLKRRN-MRXNPFEDSA-N
-CCC56169A42A8C72_E6CAEE38BA91086E_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,NNGIJXMUUKDSRG-UHFFFAOYSA-N
-CCFE6B873A45C958_6BE5D7B06044041D_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C5=NC4=C(O)C=CC=C4C=C5)(=O)=O,VEAFKDUMKQVEJQ-UHFFFAOYSA-N
-CDEEEFE8901234F3_1C09F626DE6F9099_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N4CCC(C3=CC=C(CC)C=C3)CC4,HNOPWPNDPDKHNV-UHFFFAOYSA-N
-CE33F23DFC0D3212_C83F4D5ADB7BFB6A_6041_UN,N[N]1C(=NN=C1C2=CC(=CN=C2)NCC45CC3CC(CC(C)(C3)C4)(C5)C)S,WJSUHYZSQOONOS-UHFFFAOYSA-N
-CEAA3FD0883E4EB7_214E44DD602E127F_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,BYGMLVCOMPQTFX-UHFFFAOYSA-N
-CF739F6C6E1D110E_F15DC231D0E7E9AA_6031_UN,CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(=O)OCC3=NN=C(OC)C=C3,RJWQAYSAPAYPHR-JKSUJKDBSA-N
-D12BBDBA3A9B2DA1_162D163D8A101CF6_6035_UN,O([C@H]1[C@H]3CC2C[C@@H]1CN(C2)C3)C4=C(C=C(C(=C4Cl)OC)Cl)Cl,JTUDRXZBBWWERG-PRANTPSJSA-N
-D318634F4166E24C_8EB4B07BE199B981_6034_UN,CN1C=C(C#N)C(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CCOCC3,QHOVBSONGYDBJI-KBPBESRZSA-N
-D39864ACF47A8DAC_8D746485C6BA2AEC_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCC1CCC)=O)C2(C)C,LJKSUHMGLRMZIF-SHWKFHJASA-N
-D3A3D04C8DBEA9B1_522399F3F3C66A28_6039_DP,N1C[C@@H]2C[C@H]1C[C@H]2OCC3=NC(=NO3)C4=CC(=C(C=C4)OC(F)F)OC,AJERDASRDUEQTO-GMXVVIOVSA-N
-D3FC19A91F056190_4BDC7A700741B536_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=CC=N3)CC4,YIZBMHBZBTZZRB-UHFFFAOYSA-N
-D432A593799AE433_1BF74DFCA45D1323_6038_UN,COC(=O)[C@@H]1C([C@@H](C1)NC(=O)C(=O)CC2CCCCC2)(C)C,GKPQOKFWBBLBHX-TZMCWYRMSA-N
-D45E5C07265F6001_2D83A3780575BEBC_6038_DP,CCCCCC(OC([C@H]2[C@H]1CC[C@H]1CN2)=O)C(=O)OC,PNLHASLMXBYAAJ-DHCRQFENSA-N
-D4E5FDE38215AA4B_342C8CD95298D3F6_6038_UN,O(C1CC2CC1CC2F)C(C34CCC(OC)(CC3)CC4)=O,HIGIYACYACQSPF-UHFFFAOYSA-N
-D60C5681C50BD98B_9BC59F724D579F6D_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC=CC=C2)C3=O)[S](C5=C4OC=CC4=CC=C5)(=O)=O,XMKVXGHEACUGFW-UHFFFAOYSA-N
-D644DE5DF66667E0_5B5ED19D9E86DFF2_6041_UN,C1(=N[NH]C=C1C#N)NC23CC4(C)CC(C2)(CC(C3)(C4)F)C,PALGSMVEOJLHGR-UHFFFAOYSA-N
-D6F081CAC7F827FD_D18A7B5988F98E0A_6041_UN,FC1=C(C=CC(=C1)N2CCCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,JZDYZEDFGSXXQI-UHFFFAOYSA-N
-D779FDEE744BF44A_4C1B518B2E082F86_6039_DP,N1CC(=CC1=O)OCC(NCC2=CC(=C(OC)C=C2)OC)=O,IOHTYLHQQUNZKC-UHFFFAOYSA-N
-D90BD62BB35D50A8_BDA112043A3872B7_6039_DP,N1CC(=CC1=O)OCC(NC2=CC(=C(OC)C=C2)OC)=O,IUHUALVRABPXBB-UHFFFAOYSA-N
-DAC4534117EA178E_1654010F4ECDF275_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(C3=C(F)C=CC=C3)CCC4,KGIGMYXGYQWSAO-UHFFFAOYSA-N
-DAD56E8EA8965DFA_083009C2FBCE71F7_6004_UN,O=[N](=O)C1=CC2=C(C=C1)C=C(C=N2)C4=C3OC=CC3=CC=C4F,BCQNKQXVZQPNEM-UHFFFAOYSA-N
-DC5B3CA78E97B4A6_D81A3DBE9A1A444E_6031_UN,COC1=N[N](C)C=C1C(=O)OCC23CCC(C)(CC2)CO3,DNECZBHODYOPDC-UHFFFAOYSA-N
-DC73CDA566349E93_F722697E7C10D6F3_6041_UN,O=[N](=O)C2=C(N=C1C=CC=CC1=C2)NC3=CC4=C(C=C3)SC=C4,REPYWNSGSQRENN-UHFFFAOYSA-N
-DCE026B0253053CC_CFD4619ADCFCD2A8_6038_DP,CC[C@H](NC([C@@H]2[C@H]1C[C@H]1CN2)=O)C(=O)OC3CCCCC3,SERJFIHWDLFBAM-PYJNHQTQSA-N
-DD5C89F23750A263_119B02A30ACA0041_6038_UN,CC(NC(C23CC1CC(CC(C1OC)C2)C3)=O)C46CC5CC(CC(C4)C5)C6,KCKXIJAOCGGGPS-UHFFFAOYSA-N
-DDCFB0115561F549_11E043030F0AA360_6041_UN,OC(=O)C1=C(ON=C1NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F)C4CC4,DXRQXTVFHRDVLH-RYUDHWBXSA-N
-DE00C6F4F248A2EC_100A46E28C752527_6038_DP,CCC1=CC(=CC(=C1)NC(CN2CCNCC2=O)=O)CC,BPAXHEFMGDEFRI-UHFFFAOYSA-N
-DEC9D9B2ECE1B91B_7273FB0120B670DA_7019_UN,C(C1=CNC(=O)C2=C1C=CC=C2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,IEAGJEQMZTXJPG-UHFFFAOYSA-N
-DF09AB32243D09CD_9C4F9A067B0F9052_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C)C=C(C(=C2)C)[N](=O)=O)C=C3,GZHWGZUDUSYMKL-UHFFFAOYSA-N
-DF69D8E35530561F_F01EE2F12E42C2D6_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=CC=NC5=C(O)C=CC=C45)(=O)=O,UTENOKZNQIKLAW-UHFFFAOYSA-N
-E13359B2AA37E0BD_856831A6C8D9BA06_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=C(C=C(C=C3)F)S,AYUNYLNCFBJSLM-UHFFFAOYSA-N
-E19FACEA4F6F348C_5284C29D56F5E5FD_6038_UN,O(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,ITHXQXKUVMGNMV-UHFFFAOYSA-N
-E20186350942F63F_1FE096BFC90C8E06_6038_DP,CC[C@H](NC([C@@H]1C[C@H](CN1)F)=O)C(=O)OC2CCCCC2,UCPXPQIFFQAEFV-WXHSDQCUSA-N
-E2432B4A02CBB00E_EA043A428A18A8BF_6026_UN,ClC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,JNHZQCCIBQRNAZ-UHFFFAOYSA-N
-E25E794DD620496D_4DEF09E21E45E97A_6039_UN,COC1=C(C=CC(=C1)CC2CC2)OCC4CC3(CC3)C(=O)O4,XXGWNFDKWSGAPG-UHFFFAOYSA-N
-E3200349042CFF79_DB5FCDC98A045D0A_7015_UN,FC(F)C1CCN(CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,KFTGAAKZBNMWOG-UHFFFAOYSA-N
-E5064AF441F246C4_D6EEBCB1EC5C9191_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=NC=C(C(O)=O)C=C3)=O,LPQRAMXGWLXVGU-UHFFFAOYSA-N
-E62006DE0067CCD8_E15001B49681B792_6041_UN,CC1=NC(=NC(=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,AKEWHUQCNSODKZ-BXUZGUMPSA-N
-E630722D01CF66B0_8741F8434E00F3D4_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CN=C(CC(C)C)C=C3)=O,JIFJDUCGGMUJCJ-UHFFFAOYSA-N
-E6D4FCF980D2F8DF_381AC854E064C86F_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OCC3)C=CC(=C4)C#N,XUYUITALARDITN-KRWDZBQOSA-N
-E7A6A0776A42621A_881686EB7C2DDD46_6038_DP,CC(NC(C23CC1CC(CC(C1OC)C2)C3)=O)C(=O)O,QDSUARJGHXRAOP-UHFFFAOYSA-N
-E7BF14D667C6734D_4311ABB8B0309FC8_6041_UN,C1(=CC=C(C=C1)SC#N)NC2=CC3=C(C=C2)N=N[N]3O,QPNUTBONSGEDRM-UHFFFAOYSA-N
-E83C5982BC61F291_087BF0FCC4A368DD_6041_UN,C1(=CN=C(C#N)[NH]1)NC23CC4(C)CC(C2)(CC(C3)(C4)F)C,XZRROLOZZPSYIF-UHFFFAOYSA-N
-E8933AE4F1162D12_D3E45823FA970653_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(N3CCC(C)CC3)C=C4,SURSAUIQOCHYJW-UHFFFAOYSA-N
-E895D694CBA88970_2CA428D60F2133C6_6028_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,AOACVZUCPGEPRP-UHFFFAOYSA-N
-E979692806EF7D6E_2846F3A7886561C9_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=NN=C(Cl)C=C3)CC4,DBLBCLQMUBKHIN-UHFFFAOYSA-N
-EAA119D605369845_75BFE03A14B66EA8_6031_UN,O(C(=O)[C@@H]1CC=C[C@H](C1)N=[N]#N)CC2=CC(=NO2)C3CNC3,ISBABHRZLIVJGA-MWLCHTKSSA-N
-EAD922A26514653B_F3EBE214D91AED96_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,COMLKFRHVADVRG-QGZVFWFLSA-N
-EB22F67657C27F18_33D8E9CEC3D8F92E_6034_UN,CC2=C[N]1N=CC=C1C(=O)N2C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,QOCBVASTVILIPA-HOCLYGCPSA-N
-EB5FC9242F20E368_952014F342F518BE_6004_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)C3=C(C=C(C=C3)C4CC4)Cl,UAVBMMQGZQIAGJ-UHFFFAOYSA-N
-EB666620976BF00B_D22B1BAEE6E8C568_6004_UN,C1(=CN=N[N]1C2CC2)C3=CC=CC(=C3F)C(N(C)C)=O,AMAIKQTUQGDJPA-UHFFFAOYSA-N
-EB9C7C399761E6A4_530BD31DE9F5204D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(CC)C=CC=C3,BHMSQEMDRHKIIX-UHFFFAOYSA-N
-EBBEA246981F9348_5657589BD2A12EFD_6039_UN,O(C1CC[S](=O)CC1)CC4=CC=C(C3=NC2=C(C=CC(=C2)C)S3)C=C4,BHAZFNXDRYIHFE-UHFFFAOYSA-N
-EBD8A69B23C72384_1AD110EA9B221912_7022_UN,CC1=C(C=C(C(=C1)NC34CC2CC(CC(C)(C2)C3)(C4)C)Cl)C5CC5,CONQWMPDBPDYKS-UHFFFAOYSA-N
-ED0C7F4F7EAB5216_C10DC486803B808B_6029_UN,C1CC3=C(CC1)C=C2CN(CCC2=C3)[S](C4=CC=CC(=C4)C(C)C)(=O)=O,UXCCMZGUEFETEL-UHFFFAOYSA-N
-ED2C43DAB858D27B_293554B7C0EE926B_6006_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2)C4=C3OC=CC3=CC=C4F,BTFJYWURNNZVPR-UHFFFAOYSA-N
-EDD1D8F8C9DAB0B9_031EE6EECCEF6241_6038_DP,CCC[C@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)N,KFAXFKQTRCUVEJ-AGIUHOORSA-N
-EDDF3EB280966177_BC4DB050FA82FA98_6029_UN,N(C1=CC(=C(C=C1)[N]2C=NC=N2)Cl)[S](C3=CSC4=CC=CC(=C34)O)(=O)=O,KAFYAPLGAMXXEI-UHFFFAOYSA-N
-EDF51298E509A826_90091679F34996B2_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC(=C(N=C2)C#N)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,DAOZUCOSEZDDJS-UHFFFAOYSA-N
-EEB841E0D1881C8C_CD6E144B3B2D85E9_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=CC(=C2)N3CCCCC3)C=CC=C4[N](=O)=O,VAXMHLJFBRXFIX-UHFFFAOYSA-N
-EECCD1CEE2775A18_FE3E07B8F679C06B_6029_UN,ClC2=C1CN(CCC1=CC=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,UWYYQLAPOSGEOH-UHFFFAOYSA-N
-EF0AD39D0904D12D_5D62409E3C97BDFC_6028_UN,CC1=CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,QRWQNEJSZUJMBL-UHFFFAOYSA-N
-EF51BA7D7A711552_A19A42E0ABCED998_6029_UN,C1CC3=C(CC1)C=C2CN(CCC2=C3)[S](C4=CC=CC(=C4)C(C)Br)(=O)=O,GUSFWDQEGJEGGU-UHFFFAOYSA-N
-F01E9963F72F68A4_E2EDED31078AD57C_6041_UN,CC(C)C1=NC(=NC(=N1)NC2C3=C(OC2)C=CC(=C3)F)N(C)C,GQPLXKUQCCSAOO-UHFFFAOYSA-N
-F05D649B4D730682_BDA8FA2D907B5894_6038_DP,CCC[C@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,XSRRDCZQZLHPKQ-RDBSUJKOSA-N
-F0C4F1FC08691B87_954CBCCADD4D69BC_6038_DP,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,DFFGMWRNVLFHLC-UHFFFAOYSA-N
-F110D866860EB850_085E317AA5014579_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC4=C(C=C3)OC=C4,VRSVCTRBAMEEFM-UHFFFAOYSA-N
-F17F68DB9883FF89_9925510AB8C329C6_6034_UN,SC1=NC(=CN1CC34CC2(CC(CC(C)(C2)C3)C4)C)C5=CC(=CC=C5)Br,MGBLMNKYFJRVMT-UHFFFAOYSA-N
-F204C233F992805F_9D1AD4ED155EF633_6038_DP,CC[C@H](NC([C@@H]1C[C@H]2CNC[C@@H]12)=O)C(=O)OC3CCCCC3,FMHPQGBRILWIQH-MYPMTAMASA-N
-F2EDF52D416A134D_9AF5908FB730C143_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3C(CCCC3)C4=NC=CS4,RLGRJOOFEHNPDK-UHFFFAOYSA-N
-F3A2D247CCBEE554_B472B9DC441E8D45_6004_UN,O=[N](=O)C1=C(C=CC=C1)[N]2C=C(C=N2)C4=C3OC=CC3=CC=C4F,XQKRRUUXYRPFAH-UHFFFAOYSA-N
-F4168636D1C41D5F_1054D7FA23509466_6038_DP,COC(=O)[C@@H]1C[C@@H](CC1)NC(C23CC(C(O)=O)(C2)C3)=O,JHOGPXISHWZNOA-ZCHJWSHOSA-N
-F57635FBD63BE178_6228E6C9AFE09D9B_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=NC=C(C)C=C3,NGNOOXAGDDKUEE-UHFFFAOYSA-N
-F594F6C01D4561E8_96A7DF7D23D8C83B_6038_DP,COC(=O)C[C@H]1C[C@H](CC1)NC(C23CC(C(O)=O)(C2)C3)=O,XHHLZXYRWTWYBN-YAGSZDGKSA-N
-F60B5AAC3333CE9A_F85135C68F8DE8CC_6026_UN,CC2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,GMOUBHCJPPJOCI-UHFFFAOYSA-N
-F66FD5B2ACFD9953_F4B1B635B4AF10D2_6034_UN,CN1C=C(C(=NO)N)C(=O)N(C1=O)CC23CCC(C)(CC2)CO3,SKZYFTLTJGNMHI-UHFFFAOYSA-N
-F72AE75A28C84E3B_E28682D46D757CFD_6041_UN,CC[N]1C(=NN=C1C2=C(C=CC=C2)NC34CC5CC(F)(C3)CC(C4)(F)C5)S,OAGNLJUZNLBLAF-UHFFFAOYSA-N
-F76368D1E65BDE2B_DD881E6E649EDEBA_6041_UN,C1(=CC=C(C=C1)N2CCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,BBZJRIDURYMNHK-UHFFFAOYSA-N
-F8E0218381427AD5_E6D03C1A98A11C85_6028_UN,N(CC2=C1C=CC=CC1=CC(=C2)F)[S](C3=NC(=NO3)C5=CC4=C(C=CC=C4)O5)(=O)=O,NTONOFJTKPNZSG-UHFFFAOYSA-N
-F9175DCD57C81AE4_B1F90CA981AFCB2E_6034_UN,SC1=NN=C(N1CC34CC2(CC(CC(C)(C2)C3)C4)C)C5=CC=C(C=C5)Br,YIWCWJSAEOODPL-UHFFFAOYSA-N
-F92C4C88EB71D44C_726DF09DA1E231C8_6034_UN,CCC1NC(C)(C)C(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CC3,DBMXJFYABSEJOP-VYAYZGMFSA-N
-F98409F16B8A80C2_B8BC4FB3DB60AB09_6035_UN,O([C@@H]1C[C@H]2CC[C@@H]1O2)C3=C(OC)C=C(C=C3)C4=NC(=CS4)CCl,XUDDONDJYJJFOJ-IVMMDQJWSA-N
-FAE9E554405A0DCE_0A16418293D487BD_6041_UN,SC1=C(C=C(C=C1)C#N)NCC2=NC(=N[NH]2)C3=CC=C(C=C3)F,YEBNBQHTRKTLJZ-UHFFFAOYSA-N
-FAF78A44ECCCC23F_3BA3AACFEE340256_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,KUSYGRQEIMZDBP-UHFFFAOYSA-N
-FB114966888EDB89_B59FBCE6878CBA82_6038_UN,O(C2=C1C=CC=CC1=NC(=C2)C3=CC=CC=C3)C(=O)C4=CC(N(C=C4)O)=O,DMZIQSFMJGBTSV-UHFFFAOYSA-N
-FB370B80E7A2CD0F_54AB927DC6B2EF67_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3[C@H](C)CCCN3,CLVCTHJJCXWREW-ZWNOBZJWSA-N
-FD0DC995D93534CB_A3A21AA149E4CB22_6038_DP,CC[C@H](NC([C@H]1C[C@H]2CNC[C@@H]12)=O)C(=O)OC3CCCCC3,FMHPQGBRILWIQH-MHEUCROKSA-N
-FD2EB14A9FBD9735_984D307BAFC81BA3_6034_UN,CC1=CC(=CN(C1=O)CC34CC2(CC(CC(C)(C2)C3)C4)C)I,UQJAGFDQTGKGIG-UHFFFAOYSA-N
-FE08CA691FFEECED_E58D6BE307B5CBEF_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3=CC(=C(C=C3)C4CC4)F,YYNKUFPHCXUFJL-UHFFFAOYSA-N
-FE98DEE7CBA83B86_6F791925BFA65B77_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,ZBKGMDZSJUOFMI-UHFFFAOYSA-N
-rxn:2:100822:157049,CN1CCc2cnc(C3CC(NC4CC5(CS(=O)(=O)C5)Oc5ccccc54)CCN3C)cc21,BFWAHZWECRHTMS-UHFFFAOYSA-N
-rxn:2:102524:127848,CC(C)c1cc(NC(c2ccc[nH]2)C2CCCCS2(=O)=O)ccc1N1CCN(C)CC1,VWLCFFZLLAJYIL-UHFFFAOYSA-N
-rxn:2:103192:148822,CC1(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CCCCCC1,CIDOOXQYZCKAMI-UHFFFAOYSA-N
-rxn:2:103228:113564,CCC1SC(C)CC(N[C@@H]2C[C@H]2c2c(OC)cc(OC)cc2OC)C1C,FAGZMYJMOUYMII-ASAQXDGMSA-N
-rxn:2:104345:148822,CC(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1cc(C2CCCCC2)ccn1,REWWFXXMSPWIJC-UHFFFAOYSA-N
-rxn:2:109755:162580,CCC(Nc1ccc(N2CCN(C)CC2)cc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,MTYJTGZSVIFJAC-UHFFFAOYSA-N
-rxn:2:111802:162580,CCC(Nc1ccc(N2CCCN(C)CC2)nc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,XFOFXFHTCDJGIX-UHFFFAOYSA-N
-rxn:2:112131:162580,CCC(Nc1ccc(N2CCN(CC)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,XVJBEVBBKNWRGR-UHFFFAOYSA-N
-rxn:2:114985:141871,CC(C)(C)C(CS(C)(=N)=O)NC1CCN2CCC1CC2,KGVMNFFUYPVWFZ-UHFFFAOYSA-N
-rxn:2:115824:162580,CCC(Nc1cccc(N2CCN(CC)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,AVSAKZQDWQEVFX-UHFFFAOYSA-N
-rxn:2:121920:141871,CC(C)(C)C(CS(C)(=N)=O)NC1CC2CCN(CC2)C1,HWHBPLKDDKFBSR-UHFFFAOYSA-N
-rxn:2:134766:137213,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(C)CC2)cc1,XBDYOPLVEQJGKO-UHFFFAOYSA-N
-rxn:2:140326:149518,Cc1cc(N2CCCN(C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,ADVPJLPCZOLACE-UHFFFAOYSA-N
-rxn:2:67204:162580,CCC(Nc1ccc(N2CCCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ITYBVKMSWQUSAG-UHFFFAOYSA-N
-rxn:2:79967:162580,CCC(Nc1cc(C)c(C)cc1N1CCN(C)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,VNKKXJVNNZRUGS-UHFFFAOYSA-N
-rxn:2:82615:130197,CCC(Nc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1C,FSWYOIAGGCUESF-UHFFFAOYSA-N
-rxn:2:82615:134221,CCC(Nc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(N2CCN(C)CC2)cc1C,YQGCKXJBFYVSSK-UHFFFAOYSA-N
-rxn:2:82615:94533,CCN1CCN(CC(Nc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccn(C)c2)CC1,YLPPJWNSWOLXHJ-UHFFFAOYSA-N
-rxn:2:83091:114121,CC12CCN(CCC1NC(C)(c1nnc[nH]1)C1C3CC4CC(C3)CC1C4)C2,ZSMCVIRQWSENLM-UHFFFAOYSA-N
-rxn:2:83091:119515,CC(F)C1CC(NC(C)(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C1,IWDUKJAXGCPRHO-UHFFFAOYSA-N
-rxn:2:83091:125570,CC1CC(NC(C)(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C2CCCN1C2,QQPQPTWRLOQCDY-UHFFFAOYSA-N
-rxn:2:83091:92710,CC(NC1CC2CCCC(F)(C2)C1)(c1nnc[nH]1)C1C2CC3CC(C2)CC1C3,PCEPFXSXWPGAPB-UHFFFAOYSA-N
-rxn:2:83091:95908,CC1CC(C)C(F)C(NC(C)(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C1,GCSBPXKEPJASPQ-UHFFFAOYSA-N
-rxn:2:83811:103947,CN1[C@H]2CCC(NC3(CS(C)(=N)=O)CC(F)(F)C3)[C@@H]1CC2,CSBYZXRFLAJMCM-WKEOCXSDSA-N
-rxn:2:83811:114985,CS(=N)(=O)CC1(NC2CCN3CCC2CC3)CC(F)(F)C1,BMMUEYFCXFPUNL-UHFFFAOYSA-N
-rxn:2:83811:121920,CS(=N)(=O)CC1(NC2CC3CCN(CC3)C2)CC(F)(F)C1,KMKHBQKRAYBOGK-UHFFFAOYSA-N
-rxn:2:83881:149518,CCc1ccc(N2CCN(C)CC2)cc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,JRBCDHGDZVUTIY-UHFFFAOYSA-N
-rxn:2:86318:153335,CCc1cc(N2CCCCC2)ccc1NC(c1ccc(S(=O)(=O)CC)cc1)C1CCCC1,VOBZTXOGZPRQKI-UHFFFAOYSA-N
-rxn:2:86404:148822,CC1CCC(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,XOYFNZSUPMFMRE-UHFFFAOYSA-N
-rxn:2:95908:97698,CC1CC(C)C(F)C(Nc2cc(C3C4CC5CC(C4)CC3C5)n[nH]2)C1,SCZIOIPNLYURHT-UHFFFAOYSA-N
-rxn:2:98188:149518,CCc1cc(N2CCN(C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,IJWYFGKOLHUSSD-UHFFFAOYSA-N
-004CEDDE30FE7A76_24C6DE5228CA9FBC_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,YWGMQXKIIQEJKW-AWEZNQCLSA-N
-00FC7BC5ACC83B01_4C5EEC52E8A2FACE_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,FBZXWMGRRZJUFS-UHFFFAOYSA-N
-05FD982DABFCC1B3_AE70D421D0F416A0_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4)Br,SHTLLFPTTKJZTF-UHFFFAOYSA-N
-091F2622A3FF5B68_7A088EC29B704697_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)F,CCEXQFIJNCZFGC-UHFFFAOYSA-N
-0B99181CC0834B72_779D541F871A6CD5_6038_UN,CC(OC(C1=C(C(OC)=O)N=CC=N1)=O)CCCN(C)C,JGLIIDFBERHSCB-UHFFFAOYSA-N
-0CDE06E27289DE5F_8283C32629A8BD64_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,DZOMWSOYJGAQQE-UHFFFAOYSA-N
-0E2A9DC1F98EEC42_42D53368F84A1E98_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4)Cl,MZPYRPDYLDTYNO-UHFFFAOYSA-N
-0E693CD687226F4B_59257B65BEC4630E_6028_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C=CC=C4,GJZMRACQZDRLNE-UHFFFAOYSA-N
-120FD02A0E0A3BB3_8588A326518BA69B_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,XFFCTGFOITXIER-UHFFFAOYSA-N
-159807C8BFC4DCEA_CAD248197E9F1A78_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C=CC=C3,LGZPFLMYSXRSFM-UHFFFAOYSA-N
-16028589FFDC2E86_A9B429CFFB2E58B3_6038_UN,CC3=C(OC(C2=C(C1=NN=C[N]1C)C=CC=C2)=O)C(=O)CC3,ZWQRBZJPRRSXOM-UHFFFAOYSA-N
-19A27E775CC2469C_438816A93B7CD37A_6035_UN,COC(OC)C(OC1=C(C(=N[NH]1)C)C#N)CC2=CC=C(C=C2)Cl,FENAQUNSXGFTFV-UHFFFAOYSA-N
-1FB45BE681D9AB18_0AC483627799BAB5_6038_UN,O(CC2=C(C=C1COB(C1=C2)O)F)C(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,NIQHGRVHEFMEIR-UHFFFAOYSA-N
-20425FA554DE0141_0312A5AA2758E15F_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)Br,QJIZIKBIICFJMP-UHFFFAOYSA-N
-205FF859CB836778_B3467437667A2F0A_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4)Br,VVEXMDQIKQFVFQ-UHFFFAOYSA-N
-2331F8908602BE83_1D15222CAE679C3A_6029_UN,FC2=C1CCN(CC1=CC=C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,UCQFQPODWPLTOZ-UHFFFAOYSA-N
-238CAB2526CBCCAB_97F6FE930837621F_6038_DP,OC(=O)[C@@H](NC(C2=CC1=C(C(=CO1)C(OC)=O)[NH]2)=O)CC(=O)O,NUJFOPFAABMIDV-ZETCQYMHSA-N
-26CCCCCD6E3F0257_7726062138783EA4_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C#N)F)CC4,FKKKJTSGPUUWNJ-UHFFFAOYSA-N
-2C3D5479B0928F01_CE9B6E271E1997A5_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC=C2)C3=NC(=N[NH]3)C4CC4,PHNCBFLBYZSJNF-UHFFFAOYSA-N
-2CB3F7B28B9F828F_8F797D1AA54868B3_6038_UN,CCC2=CN=C(COC(C(C)(C)CN1C(=O)C=CC1=O)=O)S2,DEKNOBOQPAZPOF-UHFFFAOYSA-N
-2E3E6EBE433C49B0_893453604C914A81_6041_DP,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC(C(O)=O)(C)C3=CC=CC=C3,XTSLCLRELBEBHQ-UHFFFAOYSA-N
-2E3E6EBE433C49B0_E36AE1DA67D499AF_6041_DP,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC(C(O)=O)(C)C3=CC=CC=C3,XTSLCLRELBEBHQ-UHFFFAOYSA-N
-30DD74025011DDC7_0F28D1222E142D2B_6028_UN,BrC1=NC2=C(C=C1)N(CCC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,JTLFYKROIHTZJB-ZDUSSCGKSA-N
-31D1C4A03B962FE1_6169815554D93053_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C(C)C)[N]2N=CC(=N2)N)=O,RAXVRRIYSXQBHT-UHFFFAOYSA-N
-339CD95CC74CA906_9B1E2E06A47AB1C9_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=NCC(N3C)=O,BFBDHKWNPXYNMY-UHFFFAOYSA-N
-348AB3F2515C405F_66483EFD5FD0EAB6_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)CNCC4,CUJISVQGMQLKBN-UHFFFAOYSA-N
-365ECA29D453780B_790E434BB7448E49_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4)Cl,LCDRNTHUWYOMSO-UHFFFAOYSA-N
-3777E84E1CE2BE9B_582F3FFB5D050339_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O)C=CC=C5,ZQYUDYMQQWOFJH-UHFFFAOYSA-N
-37AFF3F86501D202_AF80823E9E76CE2C_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4)Br,UEIKRCHCXYYZFE-UHFFFAOYSA-N
-3852F00E22FDF104_AA6A11D4BB711FDB_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCCC2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,BXZBGXTZYKYXCH-UHFFFAOYSA-N
-414D65AC885E7F95_05468B3F565E75DD_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)Cl,QMJMHZQIEMMDBR-UHFFFAOYSA-N
-42041465858FBAFD_027125B05AAFA86B_7019_UN,OC(CC=CC1=C(OC)C=C(C=C1)O)C2=CC=CC=C2,UFUHELGSKSLOKN-UHFFFAOYSA-N
-420D8DE0433EBFBE_6BE052BF02A17A57_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)Cl,CYPDLGBNAOIVMK-UHFFFAOYSA-N
-432F1EF2363BD82B_796376E38E22C030_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C(=N[N]3C)C)C#N)CC4,ULWKMIAMXLVRQC-UHFFFAOYSA-N
-4615B47AB30A295B_5BA26B0FAA98A763_6029_UN,C1N(CCN(C1)C2=C3C(=CN=N2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,UFYOCUPOKKEPMS-UHFFFAOYSA-N
-4A75AB54F40CCFF4_B9AEF1D011809F6E_6041_UN,CC1=NC(=CC(=C1)C#N)NC(C)C3=NC2=C(C=CC=C2)[N]3C,RVOYNSLYXOQTJQ-UHFFFAOYSA-N
-4FD3885859BFA4D5_099711AE32DD69B1_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=C(C3=NN=C[N]3C)C=CC=C4)=O,CUOYXMFZKHVJBQ-UHFFFAOYSA-N
-50ACFA74FE735DC5_E4195DB1A82AE7F6_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4)Cl,CWXJNGOGISDAON-UHFFFAOYSA-N
-51C527D4DC2503BD_65106117BF2AC453_6038_DP,OC(=O)[C@@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)CC(=O)O,MPGIVSFSVCVDNQ-YFKPBYRVSA-N
-53DFCE438BAD1237_F10234CBE7B179F4_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,PAUPXAKSKFYLBR-DEOSSOPVSA-N
-56F0105C983BA325_F4EE4106F0071F7E_6034_UN,CC1=C(SC(N1CC3=CC=C(N2CCN(C)CC2)C=C3)=O)[S](=O)(=O)Cl,XBSXASKUTSLLFU-UHFFFAOYSA-N
-573F90CD7A722D0B_7924841C87F5C35C_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,LHORRXVTHSNWIS-UHFFFAOYSA-N
-57617D81DC0E356A_76D46780C45BBB4A_6029_UN,C[N]1C5=C(C(=C1)C2=CCN(CC2)[S](C4=CC3=C(C(O)CO3)C=C4)(=O)=O)C=CC=C5,SUCOEKJCRMTXRM-UHFFFAOYSA-N
-5D6AA1661BA7EDFF_7DABDBCE09BAE604_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=CC(=C3)C)CC4)Cl,ULIDEVTUPUDVCK-UHFFFAOYSA-N
-5E265DDECE546EA1_FA9762FC064A5BA6_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C(=NS3)C)C#N)CC4)Cl,UENOPZIKPSZLQR-UHFFFAOYSA-N
-5EB43C54B8040445_39606CC494AB716B_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C#N)C=C3)C4,QDNKFCWQNXACOO-UHFFFAOYSA-N
-61D2EDDB0305B05F_BEC87012984F684D_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CC(=C(CN3CCCN(C)CC3)C=C4)F)(=O)=O)C=C5,ILGVRSRLYRABHT-UHFFFAOYSA-N
-6526298D21DB03A5_561D30D716B2D4EF_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,UQGJUQMIDZLBAD-UHFFFAOYSA-N
-6C77DEA2C7127658_896172EEE8A26E7F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(N)CC4,JDQFTJKAUGOZCA-UHFFFAOYSA-N
-702396C8474104AF_CBAC354EB1B3859B_6038_UN,COCC(OC(C1=CC(=C(B(O)O)C=C1)F)=O)C[N]2C=NC=N2,HXNBLYPDAHGLHO-UHFFFAOYSA-N
-73AC5E3482685F2D_B361A5289AD75921_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C5=C4C=CSC4=CC=N5,HTXPSKCBQVGDFZ-UHFFFAOYSA-N
-778F8E75EE4ECDE4_E5E90BAEE6A83F7A_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4)Cl,OKPRZEOISDLCDZ-UHFFFAOYSA-N
-780C142E5089C29D_4BA771C1AD313F15_6029_UN,ClC2=C1CCN(CC1=CC=C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,LISQRDRGVCCVLM-UHFFFAOYSA-N
-79A18761E2AE06B9_45EBBF0CD83D2773_6038_UN,CC(=O)C(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)C(=O)C,BWYOPVLWWINBBC-UHFFFAOYSA-N
-7A95AAEBD3960DE4_EFEA173ADC3081C2_6038_UN,CC(C)C(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=C[N](N=C2)C,HHNHCINSVZOIRS-UHFFFAOYSA-N
-7B8E89DB10B10FE0_76269767FEF378B2_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4)Cl,QVQPRULBKWSERG-UHFFFAOYSA-N
-7C06BF71FEB83DD6_93BD1999379F1496_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4)Cl,YMLKGFZPISYLAH-UHFFFAOYSA-N
-7C3B46A5788AFAED_2ACEBAB7727D2BDD_6028_UN,CC1=NC2=C(C=N1)CN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,ANIQTTXIOBPKOV-ZDUSSCGKSA-N
-8495193C769D6643_6DB47C2A73A7EED5_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)Br,WYKKFWZOCFTNGA-UHFFFAOYSA-N
-8A03B2668AE0ACCD_9FEB8ADBD612A4D4_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C#N)C=C3)C4,QLBZWTFSKPTPSR-UHFFFAOYSA-N
-8B4E4840B91E937C_509464A3AE5ADAEB_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(CC3=CC(=C(F)C=C3)C#N)CCC4,COJKJLZSDBAOTA-UHFFFAOYSA-N
-8CBDE52D58BC9F8B_EDAA70C7E9163A14_6029_DP,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,GXGHITNBFMNGGF-UHFFFAOYSA-N
-8E26A0CF1F7C1348_1DF8659D532DBF5B_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C4=C3OCC(C3=CC(=C4)C)O)(=O)=O,ZQRHGAJTQNUXLU-UHFFFAOYSA-N
-8FC57A20B8AC679E_97BAD1408CD82879_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=NC=C4,YFZCDEGOBSNZEG-UHFFFAOYSA-N
-90C3463B5AB992F9_4D6789593F1BE95E_6038_UN,CCOC(=O)C(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=C[N](N=C2)C,NPMGALHNRFWFMT-UHFFFAOYSA-N
-90CC589F192A3F38_6AE095954637329B_6038_UN,CC(C)CC(NC(C1=C(C=C(N(C)C)C=C1)C)=O)C2=NN=N[NH]2,UZEKRXFYMMAYPV-UHFFFAOYSA-N
-96FD2D61276823FF_6CB462BBBBFAAE87_6038_UN,CC(C)C(NC(CCC1=CN=C(N(C)C)C=C1)=O)C2=N[NH]N=N2,IVMFBFOTHPLJSI-UHFFFAOYSA-N
-9CAB93D7AD7BD361_AEC0A12113982AE7_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCC(C(C)C)CC4,FDSQHIXJYACXNV-UHFFFAOYSA-N
-9FB10AFCC022055E_233C8CD05F9EEF3B_6038_UN,CC(C)C2=CN=C(COC(CN1C(C=C(C)C1=O)=O)=O)S2,LNFBUHVTQXEPKD-UHFFFAOYSA-N
-A0A97019D3C283D9_ED501FA6125A3938_6038_UN,CC[C@H](C)[C@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CN(C)C,XAMBMCXZWQTEEY-NWDGAFQWSA-N
-AAF5A7CD261442FB_54283C5DA8DC6DAD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,UYNCQUXPUYIFPI-UHFFFAOYSA-N
-B097380C9B74EDFE_71CF6A83290D6B9A_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C(=N[N]3C)C)C#N)CC4)Cl,HHZGPNPUUOMNSS-UHFFFAOYSA-N
-B67126897921C691_57F249A6654391F6_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,MMAOSCRXPUCJFC-UHFFFAOYSA-N
-B6E006E337258567_742E0E0CE7279A0E_6031_UN,O(C(=O)C[N]1C=CC(=N1)[N](=O)=O)CCOC2=N[NH]C(=C2C(OC)=O)N,NUYXSJRAOYPBPT-UHFFFAOYSA-N
-B72965325A20D101_1EE2033DC33E57E5_6035_UN,O(C3CCN(CC1=CC=CC=C1)C2(CCC2)C3)C4=C(C[S](C)(=O)=O)C=CC=C4,YCRLKVSRDKRUGL-UHFFFAOYSA-N
-B74532A458F31160_D6BBBC423464176A_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4)Br,OYSPMGJPAOJSCY-UHFFFAOYSA-N
-BC23AF0B18FDF8F6_521278613EA4183E_6038_UN,CN(C)CC1=C(C=C(C=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,LWPBXZIXQRFPPJ-UHFFFAOYSA-N
-BEDEBC6E1F16C5A4_F5C2B182B162735F_6038_UN,CCOC(=O)C=C(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CC,ZPXAVXOJMIRUTA-UHFFFAOYSA-N
-BF5B2C7D4AB163AD_15FC8140D2E38FD1_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(F)C=C3)C#N)CC4,XGOGBDUNAXAWBH-UHFFFAOYSA-N
-C6D4B6BC6C6D2109_DCDA923F4212D0FA_6029_UN,C3CC1=C(C=CC=C1)C2=C(C=CC=C2)N3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,AIMKEGCJQOLARA-UHFFFAOYSA-N
-C7281F017CFC5919_23D48A2F46D09CDA_6035_UN,CCC(=C(N=O)C(=O)OC)OC1=C(C(OC)=O)[NH]C=C1,PLDQALIAEBAQTJ-UHFFFAOYSA-N
-C783E441CF47D77A_84ADE649A076261C_6038_UN,CCC2=CN=C(COC(CN1C(C=C(C)C1=O)=O)=O)S2,GZWUUZQRONNCPG-UHFFFAOYSA-N
-C7BC3F10DB9DB8EB_9C0760961864B4C2_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C6=NC5=C(C=CC=C5)O6,GBGBAMGRVVUKAN-UHFFFAOYSA-N
-C9CD5239F3467B1C_7AD032B8CF57591E_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4)Cl,JHAVHWMYBKQLCL-UHFFFAOYSA-N
-CA05C4D3220FBCC1_ACA1FF3F709CCB07_6038_UN,CC3=C(OC(C2=C(C1=NC=N[N]1C)C=CC=C2)=O)C(=O)CC3,TUPVMYAXIPYIQS-UHFFFAOYSA-N
-CB700FA0FEAF576F_BEF71169F5E6F05B_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O)C=CC=C5,XHIHDXIDKIPBJQ-UHFFFAOYSA-N
-D08FDDA743A5AABE_44CDDF78D293ED1F_7019_UN,CC(C)C3=NN=C(C=CC1=C([N](C)C2=C1C=CC=C2)C#N)[N]3C,CDUVZABCZIGUSI-UHFFFAOYSA-N
-D147A55F935C7A6F_DA3A360FF5502F31_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N4CCN(C3=CC=C(SC2=C(C=C(C)C=C2)C)C=C3)CC4,NYTFXMSIKGTUBO-UHFFFAOYSA-N
-D3C97C64C950480C_F4D1C92BE1572F6E_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C[N]3C4=C(C)C=CC=C4)(=O)=O,PZMRFOHMSSUYOL-UHFFFAOYSA-N
-D3F647731663A4E8_2BA32B4010894C01_6038_UN,C[C@H](NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]C=N3,JKUDZWGMJUQZTE-NSHDSACASA-N
-D8041BAA99F6A001_A0FFA07776FACDD6_6038_UN,CC(C)C2=NN=C(COC([C@H]1C[C@H]1C(N(C)C)=O)=O)[NH]2,MEQZAKWQHVWDLB-BDAKNGLRSA-N
-D909D1AD846FD184_2AB3A61292051941_6028_UN,CC1=NC2=C(C=N1)CCN(C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,FXOLBMNSINYMRK-ZDUSSCGKSA-N
-D936A38B7B1D41A1_10BDA94DE8D29AE5_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,AGSMPUPFVLQWBD-UHFFFAOYSA-N
-DAEB5E455CE41AC7_85EA55FD9808CBF5_6038_UN,CC3=C(OC(C2=C(C1=N[N](C)C=N1)C=CC=C2)=O)C(=O)CC3,LWTTYOWCRMYOBJ-UHFFFAOYSA-N
-DBADB0E27845E42C_610E51C123CF727D_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4)Cl,IEKCEDWQJIJWDN-UHFFFAOYSA-N
-DF008EB4435980E3_8DB9D6C42E37D115_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C(=N[N]3C)C)C#N)CC4,QGHKRAHYCNWTRM-UHFFFAOYSA-N
-E6D79AFF9422CF6E_2B3230DB6C8E04AA_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C(=N[N]3C)C)C#N)CC4,BZBLYSZFMPVBGN-UHFFFAOYSA-N
-E7BC88B2D3CD95B1_CE7C46A70CB9843E_6029_UN,C2CC1=CC=CC3=C1C(C2)CN(CC3)[S](C5=CC4=C(OCC4(C)C)C=C5)(=O)=O,QHEBQRZUROPCDR-UHFFFAOYSA-N
-E7C6E7097228DCC1_BED5E0329993FB97_2267_UN,OC(=O)C1CC(O)(C1)C#CC3=CC=C(C2=N[NH]C(=N2)C)C=C3,HILMGDWQNCFSHJ-UHFFFAOYSA-N
-EBD5D4B13761A4BA_BBE7F15689759061_6038_UN,CC3=C(OC(C2=CC=C(C1=NN=C(C)[N]1C)C=C2)=O)C(=O)CC3,NRNYWXIKRBAGMR-UHFFFAOYSA-N
-ECCB25AB3F8B0583_F7591037A88BA9A6_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,RJOWKUOTTXMIKW-UHFFFAOYSA-N
-F1BC72A0503FE2EC_C3CC8FC747403B29_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4)Cl,FHSAOVXXRZNVNY-UHFFFAOYSA-N
-F38CB35E9509328C_FA0A12673A2D2D08_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,GWWONNIAMRIIAQ-UHFFFAOYSA-N
-F634DEF54F92D284_8AA82C0A9BB6AB69_6038_UN,CC(OC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[NH]2,FYSVARANJKAXCZ-UHFFFAOYSA-N
-F9481BAD0861DDC3_3E24061500759EAD_6036_UN,CC1=C(C=CC(=N1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,RHTIEQRYPBVREF-UHFFFAOYSA-N
-FAE63FE9F8C00166_EBB253FE714BE738_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC4=CC3=C(CN(C2=CC=C(C(C)C)C=C2)C3)C=C4)C5CC5,GZJALHYUAIBSRT-UHFFFAOYSA-N
-FC8365E5F2C4C41E_C3ED8220FD84AFED_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(CC)C#N)C=C3)(=O)=O,DFZPQQNFRAGOJJ-UHFFFAOYSA-N
-FCC5D673534DAC74_B7400ED0A7221D6B_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)CC2=CC3=C(C=C2)[NH]N=N3,CIYKQKHYHQGAEJ-UHFFFAOYSA-N
-FE75981DEEFC78C7_6114E54DEB0AEA98_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4)Cl,IGVCMOWINAWBRF-UHFFFAOYSA-N
-001F5B46598ABFD2_6530651A27319232_6029_UN,C1CC(CCN1[S](C3=C2C=CC=CC2=C(C)C=C3)(=O)=O)C4=CSC=N4,KONZTMGMFPPCDK-UHFFFAOYSA-N
-01C60BB53049DD3B_87E9C217E81C7929_6029_UN,OC1(CCN(CC1)[S](C3=C2N=CC=CC2=C(C)C=C3)(=O)=O)C4=CC=CC=C4,TUNGQPOZTYTTEJ-UHFFFAOYSA-N
-02165014DC40D439_5D7EE2F13A55411C_6029_UN,C1C=C(CN1[S](C3=C2N=CC=CC2=C(C)C=C3)(=O)=O)C4=CC=CC=C4,CVADMGRJNDPOMG-UHFFFAOYSA-N
-06C40CC34C94618F_2ACC4A2A7BADCD87_6006_DP,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)C4=CC=CC(=C4)C(O)=O,NTTCVXPJNLUYCI-UHFFFAOYSA-N
-06E823C935D6B48C_A259D28E99912C1D_6029_UN,C1CN(CCN1[S](C2=C(C(=CC(=C2)C)Cl)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,IZELDOQBIOAKOB-UHFFFAOYSA-N
-07423650E45F273C_46785DC211AA3C18_6039_UN,O(CCN1C(=O)CNC1=O)CCOC2=CC=C(C=CC(OC)=O)C=C2,LFXJCOBEXOLUNR-UHFFFAOYSA-N
-078F60B5B2829E6B_45680BC15C455126_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,WZBRNKXJRIRUAL-UHFFFAOYSA-N
-08326FA6827B7E89_3DABC515E9CE43A6_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3,HUKCNVFSZUSCDH-UHFFFAOYSA-N
-08747BF7F856CDFA_B67BFF899AF474AA_6003_UN,O([C@@H]1COC(=O)C1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,KKYSKNNZACVVKG-NSHDSACASA-N
-0B34472627A66AA2_5133F12888CF3B67_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,DJILPSNGITUGHR-UHFFFAOYSA-N
-0BE168C2D4BBAD62_7130F3CBF379A4C9_6029_UN,C1CN(CCN1[S](C2=CN=C(F)C=C2C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,UBFXJNJVTRUCJG-UHFFFAOYSA-N
-0C65FF15E221692E_4F13AECBB4296EE6_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,PEALFDVZZPRHLK-UHFFFAOYSA-N
-0D22A1BEAABCE7EB_5E0090AED835148C_6036_UN,C(C1=NC=C(C=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ZBTNOLUCSGFLPH-UHFFFAOYSA-N
-0EA85898306CB858_B605FAAC67B563BE_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3F)N4CCCC4,WVLDPRLPSMEHBK-UHFFFAOYSA-N
-100C870429CD82D3_16D9F3B1446A9635_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(OCC3)C(=CC=C4)C5=CC=CC=C5,YOOMJIWCGYQOTF-UHFFFAOYSA-N
-12675A59D6231177_6065D917CC40834E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=C(C)C=CC=C3)CC4,AXXDTHPPPGMHAP-UHFFFAOYSA-N
-1382C589E1A09B28_E22610B92B253DB8_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(O)C4CC4,GUBFQRCSQSBZPI-UHFFFAOYSA-N
-13A3E0CC12C568C6_DD3DE090C66621D2_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C(OC)=O)C=CN=C3)=O,DUHAYNAUTDJSTN-UHFFFAOYSA-N
-1538BF6BDBAB0213_2E6D3D44FB80CD36_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,RTMHKVFKCNGXLT-UHFFFAOYSA-N
-153A7D79D9799527_C20D19DCD167D493_6041_UN,OC(=O)C1(CC1)C2=CN=C(C=C2)NC3C(C4=C(OC3)C=CC=C4)=O,MXWXFOWDCCHPAG-UHFFFAOYSA-N
-166A34B552E2B863_5B9ADF72CB1448D2_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=NC=C(C=C3)C4CCC4)(=O)=O,ICWZXHRVEXJHEF-UHFFFAOYSA-N
-18E6AA17FB7BA46F_839F36B01275AA46_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)C=NC(=N3)C4=NN=C[NH]4)=O,DTIFGJSNRNUKRY-UHFFFAOYSA-N
-1B4E40D27EEC09E7_E7FD607241B11788_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC([C@@H]3CN(C[C@H]3C)C4=NC=C[N]5C=NN=C45)=O,FYELXLKQOZSXRN-IYNBXCLQSA-N
-1C7AB8DD765C4E7F_48ED054ABF7DBE3A_6038_UN,CN1C(O[C@@H](C1)CNC(C2=C(C)N=C(S2)C3=NC=CC=C3)=O)=O,MBVFZIOQJSXROH-SNVBAGLBSA-N
-1CC87708B87419D6_D6F97C66084F9BCE_6028_UN,C#CC1CN(C1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,JYMOJRAFJRGMJD-LBPRGKRZSA-N
-20103BEC681386BA_5858DC6BDFF49CFA_6036_UN,C(C1=NC=C(C=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,OFZSZLPSOXWELY-UHFFFAOYSA-N
-20DA9B1BBDFEC492_AAE0C6D278BA59DC_6041_UN,C[N]2C=C1C=CC(=CC1=N2)NCC4=C(C[S](N3CCC(C)CC3)(=O)=O)C=CC=C4,VAMJVWIJXWUQOJ-UHFFFAOYSA-N
-21851C80DC7020CA_26A2AA5D53451A58_6026_UN,C[N]2N=C(C1CC1)C3=C2N=CC(=C3)[S](=O)(=O)N5CC=C(C4=C(Cl)C=CC=C4)CC5,SNXUMLGDWUKTEG-UHFFFAOYSA-N
-21E2832F806812C9_D2D42E7ED33C5A26_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C)C=CC=N3)CC4,VOMUZOCSEIYOET-UHFFFAOYSA-N
-220F7A3850A92500_FAAA0F20205BC497_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,XMOSJZVTUBBGGC-MRXNPFEDSA-N
-22E17E275E14533B_999360B925AF0E62_6029_UN,CC1CN(CCN1[S](C2=C(Cl)N=CN=C2)(=O)=O)C3=NC(=CC=C3)C,LCGBKVTXNYWNEV-UHFFFAOYSA-N
-22FA8B872762B7BD_7BE6341F81802297_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC5(CN3CCN(CC3)C4=CC=CC=C4)CC5,JIMPADHPCGHOCY-UHFFFAOYSA-N
-24119F58F09EBEF8_52719A77BEC66707_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,NTQMJXVAXOHPKY-UHFFFAOYSA-N
-250A30042415EF96_58F19019B72D5E04_6031_UN,O(C(=O)CSC1=[N](C=CC=C1)=O)CC3=C(N(C)C2=NN=N[N]2C3)C,PQOXVXINMDOLAI-UHFFFAOYSA-N
-25799F75BD107A38_64F8C6EC8DFD4238_6029_UN,C1=CC(=N[N]1[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=NC=CC=C4,FCTMXUVLJYMJSL-UHFFFAOYSA-N
-2592CA4AF4D4D7C2_CB934F9973566694_6038_UN,CC1=[N](C=C(C=C1)OC(=O)CSC2=NN=C[N]2C3CC3)=O,QBYQCODWBKVQCT-UHFFFAOYSA-N
-2716D536CA7C5BD1_53DE685FF563989F_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=C(N=C3)Cl)C(C)C)(=O)=O,SYKWMPBHNIQKBQ-UHFFFAOYSA-N
-298D6316E23CEC17_492034A74F53CB19_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CSC4,ISCLJMSWRYXGKY-UHFFFAOYSA-N
-2ABA8ED13DB04E58_3CB7846DAAE5CAD6_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC(=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FTQCFBPOFDNKQB-UHFFFAOYSA-N
-30A9B0E44E604823_EB8CA79FB57EAA20_6038_UN,CC1=[N](C=C(C=C1)OC([C@@H]2CN(C[C@H]2C)C3=NC=C[N]4C=NN=C34)=O)=O,UMKNCZHJCXSXSR-BXUZGUMPSA-N
-3130E5A8E68CCACD_B90765A2AE43581C_6029_UN,C1=CC(=C[N]1[S](C2=C(C)C=C(N=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,DXRKMCMVZOVCBD-UHFFFAOYSA-N
-3322C0E86CDC1EA9_6B1AFB05DC62DF4C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=NC(=N3)C)CC4,HUURPUOLXGOFJO-UHFFFAOYSA-N
-33D61B21F8E3C8A7_41AABAFBCDE7842B_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,DEMIUYPPDAWBFE-MRXNPFEDSA-N
-341221AE1F3E8DCA_2F552FA9944B23AB_6038_UN,CC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C3=C2OCOC2=CC=C3,BAAYOGUXGRPNDS-UHFFFAOYSA-N
-3800A478260EE16A_F36A6A8757D57039_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=C[N]3N=CN=C3N=C4C)=O,GMASWUXTZKAAES-MRXNPFEDSA-N
-391CBB928111CCBC_3B7C0F6136F45609_6036_UN,C(C1=C(N=CC(=C1)Br)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JHYVFRGWYQDYJF-UHFFFAOYSA-N
-3A050FC5C7F268E9_1E78759ECF851E22_6036_UN,C(C1=NC=CC(=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,VIJAFKCWIYEAKS-UHFFFAOYSA-N
-3AF99C8E08AB50C2_BD8D2BE87C47BD92_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3CC[S](CC3)=O)C,FCJDZTGPUJXYQE-UHFFFAOYSA-N
-3F23FB080E248A31_8DCECDC2A652F0C1_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](C(C)C)C=N3)=O,YGMVZUKVZWGGFM-UHFFFAOYSA-N
-3F6A096C28201221_C084994E62F1AC54_6038_DP,OC1=NC(=CC=C1)CNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,IGZRVAVUSRTQQK-UHFFFAOYSA-N
-41592303458A176B_05F323A50471EA0B_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,JJSCUFRFURIVNJ-UHFFFAOYSA-N
-416276D65FBF4073_213A92A51791A1CC_6029_UN,OC1(CN(C1)[S](C2=CN=C(CC(C)C)C=C2)(=O)=O)C3=CN=CC=C3,DUQSITSIROBGJZ-UHFFFAOYSA-N
-441887D2DA515A0D_5C27C791602DFFD7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(OC)C=CC(=C3F)C(=O)O,NQEKEVOTNRDYOE-UHFFFAOYSA-N
-4456076EC8F5E0D2_3369FA48687C81FA_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NN=C(N)C=C3)=O,MCLHBQRSNJZNRV-UHFFFAOYSA-N
-491DAA35CFD6B30F_CA9B452D87FAA6DD_6026_UN,C[N]2N=C(C1CC1)C3=C2N=CC(=C3)[S](=O)(=O)N5CC=C(C4=C(F)C=CC=C4)CC5,FQRATVMFUDFPSY-UHFFFAOYSA-N
-49A103CDC9944126_FF7BF86D74B73997_6029_UN,OC1(CN(CC1)[S](C2=CN=C(C(C)C)C=C2)(=O)=O)C3=CN=CC=C3,HVSCZQBQXSZPSS-UHFFFAOYSA-N
-4A6290CCCB640CD1_BE3C086DEFAC15CE_6041_DP,OC(=O)C1=C(N=CC=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,ZBPZWOCQUDBIEO-UHFFFAOYSA-N
-4B13C9F0031297F0_342432253DB0B886_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC(OC)=O)(C)C)=O,LTYYTLSMZZGQEW-UHFFFAOYSA-N
-4B8A24C4CFA1859A_CB3BE85E7D9C59A2_6041_UN,C1(=CC=C(C=C1)[N]2C=NN=N2)N[C@@H](C(=O)O)C3=CCC=CC3,WVGKUWAYLZUEGV-CQSZACIVSA-N
-4B8A24C4CFA1859A_FACCD0C3691F49A8_6041_UN,C1(=CC=C(C=C1)[N]2C=NN=N2)N[C@@H](C(=O)O)C3=CCC=CC3,WVGKUWAYLZUEGV-CQSZACIVSA-N
-4DF73A61A5B97A80_919A34D43ECFF801_6036_UN,C(C1=CC(=NC=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,DLUMCYFNYXKXDQ-UHFFFAOYSA-N
-4EBF9C48474964F9_56278FE201868418_6036_UN,C(C1=NC=CC(=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,KKKZMZFJXKVVSH-UHFFFAOYSA-N
-4EEA94DFFA8B2146_F8BF3B501052B5AF_6038_UN,CC1=[N](C=C(C=C1)OC(C3[N]2C(=NN=C2C)CC3)=O)=O,WRJXDVSHWCNINJ-UHFFFAOYSA-N
-519AA52DAF6CB574_23F0BE4335E0C70B_6041_UN,CC(C)OC1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,LEQJSPWGZIJDOK-ZDUSSCGKSA-N
-5260D57A02C58455_F3D33A4862CEEABC_6038_UN,CCOC(=O)[C@@H](NC(CC(N(C)C)=O)=O)CC1=C[NH]C=N1,BZAVTJCPAMOYIY-JTQLQIEISA-N
-53C32C334038A814_376A7B51450259DE_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=C(C)[N]3N=CN=C3N=C4)=O,XKTKMJCOILCXRY-MRXNPFEDSA-N
-5812A7B7F613399B_0AF689F7BF9654F4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]4C[C@@H](C3=C(C)C=CC=C3)C4,QZUUNGIOZOKVAH-SHTZXODSSA-N
-585734EFDC49A02C_DE2523C8544D719A_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)N=C(S3)C4=NC=CC=N4)=O,MAKBKYZQXIXIFL-UHFFFAOYSA-N
-59AC3EE68BCEEF7D_F3E14E0E85BCF882_6029_UN,FC1=C(C=CC=C1Cl)C2=CCN(CC2)[S](C3=C(O)C=CC=N3)(=O)=O,XIDJMUGOQVVEFK-UHFFFAOYSA-N
-5A5E2B93462234DC_0F5E60BAC1EDC90E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C)SC3=NC=CC=N3)=O,KFQDCNJVZBLNGA-UHFFFAOYSA-N
-5B32AA8755E30374_9CBE6D3394DFFE46_6029_UN,C1C(CN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,DBFVSUPPTOGVHT-UHFFFAOYSA-N
-5BD4D420A0BA1328_FF40CE375B8AA0B5_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C)C(C)[N]3C=CC=N3)=O,AARLUBWDLNXJDV-UHFFFAOYSA-N
-5D418154C2C22842_EC005E9A2658C503_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C)C=CC=C3)CC4,AQOUNSGMXFEGHR-UHFFFAOYSA-N
-5DD559518958F66A_74602E1609A0EA24_6029_UN,C1C(CN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,ABVSXXBMCMVPMY-UHFFFAOYSA-N
-5FA72BAB644D3C08_61A6A734FC14E1B8_6029_UN,C(OC1CCN(CC1)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O)C5=CC=CC=C5,BEXIDQQHFDDRMA-UHFFFAOYSA-N
-61EF6F41855BC1B9_D74E5AA6FDEC0644_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=C(C)C=CC=C3)CC4,HXSTWXUDEQVAPS-UHFFFAOYSA-N
-6245BC8B34B806EE_B6C4A9093C59A367_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,MSTLHTWZVLTOLZ-UHFFFAOYSA-N
-62B19C34E0FB9039_9081E52654DA405F_6038_UN,CC(C)OC1=C(C=CC=N1)OC(C2=C[N](CC(N(C)C)=O)N=N2)=O,BOZUJGAUXHIUBN-UHFFFAOYSA-N
-63535CA0663C9305_13BFDDDF609D8F14_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C(C)C)[N]3N=CN=C3N=C4)=O,BTPKNFGXRZSNIE-UHFFFAOYSA-N
-64AED2FFA0D88AC8_E3C919B46890E2D5_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=NN=C(C)C=C3)=O,NQNPXTSDDXWXIK-OAHLLOKOSA-N
-66C71F73503CDE8E_4BFE154E660ECF09_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=NC=CC=C3,ZLPXYHYJWROPRP-UHFFFAOYSA-N
-6847430534F05D29_36A25A89136DE6C0_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(CC)CN(C)C)=O,ILWFFYNPFKLBAQ-UHFFFAOYSA-N
-6A3ECA6E6F08802A_40DAFF9E3D0DBC04_6038_DP,CC[C@H](C)[C@H](NC(C1=C(C(O)=O)N=CC=N1)=O)CN(C)C,JXUXBSQYLDGZLP-VHSXEESVSA-N
-6BB485CA9DD6C0D8_A69A8ED22D6CC5EE_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CN=C(C(O)=O)C=C3)=O,ZPFBXOKLEKVVMB-UHFFFAOYSA-N
-6E910382C7046223_A3FA65859BE82A41_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=C([S](Cl)(=O)=O)C=C2)CC3)C=CC=C4,DCBSSNNEKYZDII-UHFFFAOYSA-N
-700F93BB6B469FFA_8E9632EE56A4C8FD_6041_UN,CC1=CC=C(S1)C2=NC3=C(C(=N2)N[C@@H](CCC(=O)O)C(=O)O)C=CC=C3,FJCAASYXXFKSLN-ZDUSSCGKSA-N
-70C4A967CF5575B2_57E1CF68904AE8ED_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C(C)C3=NC=CC=N3)=O,IHXBUFOVXVXRQA-UHFFFAOYSA-N
-71B843E89F521ECB_E1A1F4A31E55EFF9_6029_UN,C1CC(CCN1[S](C2=NC=C(N=C2)[N]3C=CC=C3)(=O)=O)C4=CSC=C4,WNEULPZJEDFDBA-UHFFFAOYSA-N
-72A3D6DCE929FBD9_04739FBB540A736E_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CCCCN(C)C)=O,DDAICCKXPUZPMQ-UHFFFAOYSA-N
-73526CC46F3FC44C_280CBF5555BDB184_6038_UN,O([C@@H]1COC(=O)C1)C(C3=NN(C2=C(C=C(C)C=C2)C)C(C3)=O)=O,JAYQXKWQEIVJFA-NSHDSACASA-N
-737A5D301692F037_1698D38CD22D7E8E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@H](OC)C)C(=O)O,PQTXDLKJGBZSFX-PELKAZGASA-N
-74B3966EEAB8C0DA_4B19F063283456B3_6038_UN,CN(C)C1=NC=C(C=C1)C(C)(C)CNC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3,CVSITWOIFXIWGX-UHFFFAOYSA-N
-75213B3473251846_FD3D7D94023F9599_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=CN=C(C)C=N3)=O,MASUBERMIAMGNU-OAHLLOKOSA-N
-76C9267A90969D73_45E26B6B70792F42_6029_UN,OC1(CCN(CC1)[S](C2=CN=C(C(C)C)C=C2)(=O)=O)C3=CC=CC=C3,KPGGXHHMDDXSCE-UHFFFAOYSA-N
-77E3820C402A96C4_23ACB62BD6A07E10_6029_UN,C2CC1=C(C=CC=C1)CCN2[S](C3=NC(=CC=C3)C4=NC=CC=N4)(=O)=O,IWVBLWAQCYSWGS-UHFFFAOYSA-N
-7A01086D251D81B7_1AD50B73C5A0F98C_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)N4CCCC4,VIUGVQUCMJNWTB-UHFFFAOYSA-N
-7A7993C447B02329_3ACEAF45149E1F33_6038_UN,CN2CCN(CC1=CC=C(C=C1)CNC(CC(CCC)C)=O)C2=O,RCAASVLSNSAFNX-UHFFFAOYSA-N
-7ABDD60B13B3A324_3ECE6A0ABBB4094D_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=C[N](C(C)C)C=N3)=O,BTMPNRZHXVDJNP-UHFFFAOYSA-N
-7AFAC348DA09AF7D_1E2F874DF5F00C22_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,VVRXZNDAMOOLTQ-UHFFFAOYSA-N
-80C80A20366503F6_FAE754D9D859837B_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3CCOC4=C3C=C(C=C4)F,MPRBPPCVSUBTRV-UHFFFAOYSA-N
-827C375CE04EB60B_5524D7A73910E41A_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NN=C(C)C=C3)=O,XBSPGBCJPDMZLX-UHFFFAOYSA-N
-82F1CA7597D1C7B8_2E555BBCB647947B_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CC=C(O)C=C3,OLFKBXXFCLXTGR-UHFFFAOYSA-N
-858508BE348453A2_5836E5735C3AFEFC_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,DTSUWZZQYRIMSB-MRXNPFEDSA-N
-896BA05C3231615E_9028606EBC072F2C_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC(C2=C(C)C=CC=N2)C3CCC3,KUWMHUODETVXTM-UHFFFAOYSA-N
-896BA05C3231615E_B7F6428E383EBD41_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC(C2=C(C)C=CC=N2)C3CCC3,KUWMHUODETVXTM-UHFFFAOYSA-N
-89813629EBCA831E_0497D5E3222706A1_6036_UN,C(C1=C(C=NC=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,VCRPHIKJOUHRRJ-UHFFFAOYSA-N
-8987E8FBEC790ED3_3252D3365DFBBB8A_6003_UN,O(C1=CSC=C1)C2=CC=C(C(NC(C)C(=O)O)=O)C=C2,IGYQWAPYWRCVJW-UHFFFAOYSA-N
-89AAFDA533458D26_C94D64C878B06790_6039_UN,O(CCCN1C(=O)CNC1=O)CCOC2=CC=C(C=CC(OC)=O)C=C2,MDBJQMXKMXZALB-UHFFFAOYSA-N
-8B9EF9DD276FD4D2_1D0791E995E0F032_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,RDMMVNOFWAJWCT-UHFFFAOYSA-N
-8D6F1B71359F1D70_BF8C0FCEC803FD69_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C)[N]3C=NN=C3N=C4)=O,DDLNIUGJRBZQGG-UHFFFAOYSA-N
-8E0224CD1FDE5AF6_A50CAB1940785034_6036_UN,C(C1=NC=C(C=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,YPTJYSKASBUYAI-UHFFFAOYSA-N
-9164A9CE40AA696F_3DEB4A92AFBD425C_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,TZVFZBJOLPRVHQ-QGZVFWFLSA-N
-92B3512DD03124A7_CF7896181CFFA8F8_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](COC)CC(=O)O,ZPWKZSQIJJOVIA-LLVKDONJSA-N
-97362FAA8DC8E675_D7A7D5554ED7D499_6031_UN,CC1=NN=C2C(CC[N]12)(C)C(=O)OCC3=C[N](=CC=C3)=O,NRKAUXPUASIBAF-UHFFFAOYSA-N
-976E11681D325C96_FB19DF60EF74127D_6029_UN,CC1OC4=C(CN(C1)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C=CC=C4,DQEHVXCSEJTCDB-UHFFFAOYSA-N
-9794D61AA36D7F31_859E2976F147FB47_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=C(C)C=C3)CCCC4,RXGKJEHAFIAOTF-UHFFFAOYSA-N
-97A86ADF07515CD4_74C8204ADCB3B3FF_6029_UN,C1CN(CCN1[S](C3=CC2=C(O)C=CC=C2S3)(=O)=O)C4=NN=C(O4)C5=CC=CC=C5,IQHNQVONQJGCQH-UHFFFAOYSA-N
-98A2D18B165FD900_0EFE68FB4B7B7392_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=CC(=C3)C)CCC4,ZUNLPSRWQRLIIN-UHFFFAOYSA-N
-98C763C46A9AE7A0_B4242C08BE270D37_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C4=C(N=C3N=CC=CC3=C4)C5CC5,HLARDQXPDJOKJQ-UHFFFAOYSA-N
-991BD536A068B8C3_6324B0878A4A11FF_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CNC3)C4=CC=CC=C4,ARVNCEAQKDOEFN-UHFFFAOYSA-N
-9B763A4016E808E2_D97D732D697E48D0_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C(C)C)[N]3C=NN=C3)=O,ASKJTTNWHZTFPM-UHFFFAOYSA-N
-9B9EA5BD243AD415_C4B3D20BB884AF72_6038_UN,O([C@@H]1COC(=O)C1)C(=O)CC2=CSC(=N2)C3=NC=CC=C3,XNSKKGXOFXFHHX-JTQLQIEISA-N
-9BC6DC6ACDA54401_691CF74EE3CA53DF_6029_UN,CC1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CC=NC=C5,IUNUPTYQADMHKX-UHFFFAOYSA-N
-9C5D5C6F858E063A_D62FBE85955F8D74_6038_UN,CN(CCCNC(=O)C1=CN=C(N=C1)N2CC[S](=O)(=O)CC2)C3=NC=CC=C3,YVZJJAKUJZBXLU-UHFFFAOYSA-N
-9C984A070ED46ED7_7031577683E37998_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(OCC3)C=CC(=C4)C5=CC=CC=C5,TYIXGCYONKSWDR-UHFFFAOYSA-N
-9C985F5FCC573DEE_0547D5ADE20C38A0_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(COC)C(=O)O,STPRZRAZTIMFMF-UHFFFAOYSA-N
-9CEB5F0713631879_22499DEE069F29BC_6029_UN,C1C=C(CN1[S](C2=C(C)C=CN=C2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,JDLZBUBJEASUTF-UHFFFAOYSA-N
-9D024F06EF79C91B_D696441CD26620B5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CCC3)C4=NC=CC=C4,VTYFSQNTDHEPGO-UHFFFAOYSA-N
-9DC5C031AB91ACD8_48A60C36CCA4EAC6_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC3CCOC4=C3C=C(C=C4)F,IQSSYBIXSADSFO-UHFFFAOYSA-N
-9F337641173E2738_CD772CB17490B64D_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5,VQKVCIPJVBIPFJ-UHFFFAOYSA-N
-9F4C0529EA6333A9_0E68A13EE05DFA2E_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=C(C(O)=O)C=CC=N3)=O,UFKBOIBZNSIIIK-UHFFFAOYSA-N
-A22AD2AEC0E1ADFD_A5CCBA0EC385211B_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NC[C@@H](O)[C@@H](O)C(=O)O,YYTRVCPSDYPLIS-HUUCEWRRSA-N
-A2893202663ADFF9_FB1644D20EE71BEB_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,KEAQBFZYDXLYAD-UHFFFAOYSA-N
-A5A71FC9E628232E_52007EF9B66140FA_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C(O)=O)C=CC=N3)=O,ICPXGGBVZMXRMZ-UHFFFAOYSA-N
-A662F5077BFB75C2_FB0E5B7D98875655_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4C(C3=C(C=C(C)C=C3)C)CC4,SBGWVQRXJDBJCD-UHFFFAOYSA-N
-A76A508837BA140F_3B29CBD9E647F034_6029_UN,CC(CN[S](C1=CC=C(C=C1)C2=CCCCC2)(=O)=O)C3=C(C=CC=N3)F,KSMMSBZLOCLVKM-UHFFFAOYSA-N
-A8B1B28730B36FA8_0480B8F7485781D1_2875_UN,CC2=C(C[N]1N=NC(=C1)C(N(C)C)(C)C)C(=O)OC2=O,AOIWMJYWAVBDGB-UHFFFAOYSA-N
-A995F06A7E003D40_1FEF180295C09A1F_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)C(C3=C[N](C)N=C3)CC(CC4)N,YTSZQPBVZTVKDH-UHFFFAOYSA-N
-A99A21025D2F1F47_71EFF170E066C66F_6029_UN,C2=CC1=C(C=CN=C1)[N]2[S](C3=C(N=CS3)C4CC4)(=O)=O,GFTLWJZWNZVKRI-UHFFFAOYSA-N
-AB51DE355BE378E9_E480B728C05A774E_6036_UN,CC1=CC(=NC(=C1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,WFIXUTNYMNOAIK-UHFFFAOYSA-N
-ABF15FC766C6101F_6CD659441333138C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=CC(=C(C)C=C3)C)CCC4,GSRHRIKPXQCNBJ-UHFFFAOYSA-N
-AC8E1EEED46C3B57_87FB6B90044DFCC2_6029_UN,OC(=O)C2=C1[N](C3=C(C1=CC=C2)CCC3)[S](C4=C(C=CC=C4)[N]5C=NN=N5)(=O)=O,QLDKZJXCJKKTJI-UHFFFAOYSA-N
-AEBB5798793BF072_B82836D8A6E3D86D_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(OC)C=CN=C3)=O,KLXBRNNFARMCNE-UHFFFAOYSA-N
-AF5399349B6C9743_56CDA38EB789374B_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,KEVGXMBMSMRANB-UHFFFAOYSA-N
-AF5905147881D110_7DE169C70B12423F_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OC(C)(C3)C)C=CC(=C4)F,SAMHKGQOQVHOSQ-UHFFFAOYSA-N
-AFF3FC207732672B_980172A9FE69C7A7_6038_DP,N(C1=CC(=CC=C1)C=CC2=NC=CC=C2)C(C3=CC=CC(=C3)O)=O,DEJLIODFNVWMJL-UHFFFAOYSA-N
-B02EC2BB5B1D7D08_422184BF8A17530F_6029_UN,C2CC1=C(C=CC=C1)CCN2[S](C3=C[N](N=C3)C4=NC=CS4)(=O)=O,RKOXWOZKBQBRST-UHFFFAOYSA-N
-B212C78F49C42722_66FE4AF1B7026C15_6029_UN,OC1(CCN(CC1)[S](C3=C2N=CC=NC2=CC=N3)(=O)=O)C4=CC=CC=C4,IBKVNLJFTVWZKG-UHFFFAOYSA-N
-B433B15F12AD8DE7_4B5EE49827EDB378_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=C([S](F)(=O)=O)C=C2)CC3)C=CC=C4,QQNJPBLKTBXLOE-UHFFFAOYSA-N
-B9718B40A282AB64_1DA998C6D920E995_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=NC=CC=C4,SRZZWUDZWCUUAS-UHFFFAOYSA-N
-B9A847DFFBD5893C_1CCF10A7AC2BEC37_6036_UN,C(C1=CC(=NC=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ZGFFORDILVWKEQ-UHFFFAOYSA-N
-B9FE01CF5D987F83_E624706F24F61D96_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=NN=C(C)C=C3)=O,FXFSIMJWWYMUAF-UHFFFAOYSA-N
-BB3A434457E549F8_CD8CD79CEE2FE6BA_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CNC3)C4=NC=CC=C4,SPQXSEZGMZIPIJ-UHFFFAOYSA-N
-BE61A6EBC9E45F29_98766A96A293FD61_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,UHWOTDNLTGHNFI-UHFFFAOYSA-N
-BF5F27175B73C1EE_296B64CC6B3DAD91_6038_DP,N(C1=CC(=CC=C1)C=CC2=NC=CC=C2)C(C3=NC=C(C(O)=O)C=C3)=O,ZFXPYUGRPGEXRJ-UHFFFAOYSA-N
-BFD1FD6A19E8BF2B_5F4D67C9CF8F51D6_7022_UN,COC1=CC(=CC(=C1)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O)[N](=O)=O,INHUZQWRFDPLCH-UHFFFAOYSA-N
-C070DF07C5085556_66DD77DB50CD2EF3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC5(CN3CCN(CC3)C4=CC=C(C=C4)F)CC5,DOUGEIAHYBGSMK-UHFFFAOYSA-N
-C1FB2AF7CBC39A13_0009454FD8D7BDF4_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@H]3C4=C(OCC3)C(=CC(=C4)F)F,FZSIJOJEPQIFJF-QGZVFWFLSA-N
-C22B03A6149EEC7A_8CED3EA9FB30446C_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(N)C=N3)=O,CIIOGOKEPBFDKV-UHFFFAOYSA-N
-C3E9ACED5CC5EC2F_CB6F31AED6D0EF15_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=NC=C(C(O)=O)C=C3)=O,KSZUHQMSVITSRN-UHFFFAOYSA-N
-C406DFA5F2505A3A_79F65D70AFA82B4B_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C(C)C)C3=N[NH]C=N3)=O,CCFUNASVLSJCLI-UHFFFAOYSA-N
-C5E17B16177411A7_79DF9ED2ABD3FFD6_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=CC(=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,SDYAXSVAJBJTMU-UHFFFAOYSA-N
-C6E26C57D1E9F475_8187B54214825F11_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C)[N]3N=CN=C3N=C4)=O,PWMFJUIMHODULN-UHFFFAOYSA-N
-C7543073D3F9C8B3_42D69A3DC14FE6A0_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[N]2C=NN=N2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,PWABMGRSZFGWQC-UHFFFAOYSA-N
-C786F9158CC3B481_B2481DA0CC2AD449_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3C4=C(OCC3)C(=CC(=C4)F)F,CMEOWELCTHXGCV-MRXNPFEDSA-N
-C8D424B4239F9E7E_34FFDC0EAFDD5711_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,GHGWHZHEFDHEMC-UHFFFAOYSA-N
-C8F43509DBD73BAC_38690CB99A8E7BD3_6029_UN,C1CC(CCN1[S](C2=CC3=C(N=C2)C=CC=C3)(=O)=O)C4=CSC=N4,CKGXBXXGIOBIQE-UHFFFAOYSA-N
-CA13C835DB48120C_C85EACA68E7F0CF1_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,ZPWNCOVQFLBZPO-UHFFFAOYSA-N
-CC16A60FE3E084ED_A5ABBAEC65EB6A05_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(CN3C(CN(C)C3=O)=O)=O,GTMBJRKDLVLCET-UHFFFAOYSA-N
-CC6AF588477C3C21_F9AFC44EAEA5CC3A_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCOCC2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,QBHJSHJDZKIXMH-INIZCTEOSA-N
-CDD2DE853A934897_9493DF23CAB5A8B3_6036_UN,C(C1=CC(=CC=C1)C2=CSC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,MCMGSAXIRKJSDW-UHFFFAOYSA-N
-CDE5274EAB3D2269_68CD419CBF6402A1_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CN=C(Cl)C=C2)(=O)=O)C3=NC=CC=C3)C=C4,OJUPBQSOBFGVPM-UHFFFAOYSA-N
-CFACED142568DD12_B2AD63814E67288E_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3(ON=C(C(C)C)C3)C)=O,MYVLXKNETDSEKS-UHFFFAOYSA-N
-CFB5E4E4E1133A7B_F2DEC0B5E56C86F8_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=NC=CC=C3,PTLDGOFHTGFILT-UHFFFAOYSA-N
-D356E8F9404B74F4_4164AEFB91C5F434_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C3[N](C=C(C)C=N3)N=C4)=O,MJUZOKDPSGBLPY-UHFFFAOYSA-N
-D3A5912EBE925958_0774B5549D3A92EC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@H](CC)C)CC(=O)O,CKMHXJGOTWQOBH-GXFFZTMASA-N
-D4405E7DB23E4A05_F3C159F417B51A16_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)N3CC(C3)OC4=NC=CC=N4,UZMARRIWXHHYQR-UHFFFAOYSA-N
-D47E27E4968E0FC3_E30B60FB6DE8AF87_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC(C3=C(C)C=CC=C3)=O,WTIIRCDVQZAPPK-UHFFFAOYSA-N
-D4B10D2020E6DD50_768646424729B6CB_6036_UN,C(C1=CC(=NC=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,PLFVFHDKWTUUFM-UHFFFAOYSA-N
-D4DAD3450EDB3305_D3539D617514ADAA_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,UERWKCGFQUCFED-UHFFFAOYSA-N
-D5CAC6BCD1123CA7_194F9B306147BEBD_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(CCC4)C5=NC=CC=C5,DFRCYRKZRFAJOR-UHFFFAOYSA-N
-D7A4710840051057_6A5BAE4F8DD57C83_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NC3=CC(=CC=C3)C=CC(=O)O,WSNNPPNPTFBOSG-UHFFFAOYSA-N
-D989D3E077EA7B5B_4B93BDA7CC1A3790_6038_UN,O([C@@H]1COC(=O)C1)C(=O)CC2=CSC(=N2)C3=CN=CC=C3,UJXMRRWUTWGBMZ-NSHDSACASA-N
-DA74334FA966BB91_5853A0B8DD3A4508_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)N4CC[S](=O)(=O)CC4,YAPFKCFGJOZNPM-UHFFFAOYSA-N
-DAC50884A7A244B5_7A3345A003E5AED9_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=C(C=CC=C3)N4CCOCC4,KGHUVXBCWYTFKS-UHFFFAOYSA-N
-DEF4CF436E27F32A_ACA0375AFA7525ED_6026_UN,ClC1=CC5=C(C(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)N=CC=C5,GJGQFLHKDCNISO-UHFFFAOYSA-N
-E165690506107733_7764C86D8E8D100A_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=CN=C(N(C)C)C=N3)=O,XPPJQAHBUXCFNB-UHFFFAOYSA-N
-E93507FF4CFC2D04_41FD050AB1731A23_6029_UN,C1C=C(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,BTJHRFWACWMIMK-UHFFFAOYSA-N
-E9B10C1C191F60FF_AA1E2E628FF30BDA_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C5=C4C=CSC4=NC=N5,YEUCRHQNSTWLIP-UHFFFAOYSA-N
-E9E0CDCE9327FBB3_658CF7DB1315D0D9_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,JYOSBIDKNZXJHT-UHFFFAOYSA-N
-EA8AF06CAB6951BD_7B1B8F7FF14AA483_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3CC(C)OC3=O)=O,CEXYNMQDFMRELF-UHFFFAOYSA-N
-EAE3C30B64C44DFD_9707EE6980EC55C1_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NC=C(C(O)=O)C=C3)=O,WIJFAXJMOWKNHT-UHFFFAOYSA-N
-ED07BF2B16CDC410_48EB57CF34A6AD2A_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,YKYNSFJEIYRZPH-QGZVFWFLSA-N
-ED971BC1F72A3359_60F365CE3D2DE987_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC)CC(=O)O,YJCTVDSHCURGFE-JTQLQIEISA-N
-EEC94545DE94E527_C4BFEA1B272449FB_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,IWSUNGRLBWFUKL-UHFFFAOYSA-N
-F138941DF2926617_0CD8886561E53AA8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4[C@H](C3=CC(=C(C)C=C3)C)C4,QSQJUZVMIKTFOR-QFBILLFUSA-N
-F15940F2143A3AFE_41050B543757C605_6036_UN,C(C1=CC(=NC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JUVDUZUTAQSOOB-UHFFFAOYSA-N
-F710F6EA9EAC698C_D73FA58E7DC4BB4D_6036_UN,C(C1=C(C=NC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,NSGJTVVDKRSKRD-UHFFFAOYSA-N
-FC327D21776F409F_37C2347DE85650A4_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CN=CC(=C3)C(O)=O)=O,TXZHNYUSMBNOIA-UHFFFAOYSA-N
-FD1881A909227D0D_6F44FBF59FCB3E6F_6036_UN,C(C1=CN=C(C=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,IYXSXCWNVHDWEA-UHFFFAOYSA-N
-FDB87C6E5B2246BD_41D3F919E4678EE7_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3ON=C(C(C)C)C3)=O,OEQVITFMTNNKCC-UHFFFAOYSA-N
-FF7B8DDEFD6981A6_6E074D52E4C65802_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CCN(C)CC3)C4=CC=CC=C4,BZCUMBTWOVLIPH-UHFFFAOYSA-N
-rxn:2:111489:125863,CCN1CCN(c2ncc(C(C)Nc3cccc(N4CCS(=O)(=O)CC4)c3)c(C)n2)CC1,LUNRABMTNPVQCR-UHFFFAOYSA-N
-rxn:2:116121:149518,CCN1CCN(c2cc(C)c(CNC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)cn2)CC1,QMBLBFKDAXJBCI-UHFFFAOYSA-N
-rxn:2:134766:135127,Cc1nc(N2CCN(C)CC2)ncc1C(C)NCc1cccc(N2CCS(=O)(=O)CC2)c1,VSMAHAKGWYYCHA-UHFFFAOYSA-N
-rxn:2:138627:100289,CC(C(N[C@H]1CCOc2ccc(S(C)(=O)=O)cc21)c1ccc2c(c1)OCO2)N1CCCC1,HEYAEGAGQWMDFL-XUGLNINTSA-N
-021FFC44D288D280_8F7593BA0775AD59_6038_UN,CC(NC(C1=C[N](CCC(C)C)N=N1)=O)CC2=C(C=C(C=C2)C)C,GMWYYRBIXRGYCD-UHFFFAOYSA-N
-0390FB8B7738D401_46A1F48577B5095C_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=C(C=CC=C4)[N]5C=NN=N5)(=O)=O,SWENKJOUZMLNAE-UHFFFAOYSA-N
-05BCAB810FE3E490_69069BF50B7F9FF9_6041_UN,SC1=NN=N[N]1C2=CC(=CC=C2)NC3=CC=CC(=C3)C(C(C)C)=O,WGTDHHGXEHPGJX-UHFFFAOYSA-N
-0644011604F85AD0_D6C0AC9D8DDC66A5_6038_UN,N(C1=CC(=C(C=C1)F)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,QEIVIEPVTDLYEQ-UHFFFAOYSA-N
-0771F4A9D142AF47_B7AAE3E3E0D9F413_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCCC4=CC=C(N3CCNCC3)C=C4,ABNAGGBCCZKNAM-UHFFFAOYSA-N
-0835F814F02613B5_6540F243433FEBE8_6029_UN,FC1=CC2=C(C=C1)N(CCN2[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O)C5CC5,UMTPRBGNHZLVAQ-UHFFFAOYSA-N
-09A5390A56353D93_7411524DDCC22346_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4CCCN(C3=C(C=CC(=C3)C)F)C4=O,VLDWQTPFCPNRSX-UHFFFAOYSA-N
-0A4471997DD2FA5B_E4E168A08DAC1161_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C)C3=NC=CC=N3)=O,QXWSFMOSJLLBNO-UHFFFAOYSA-N
-0AF0E25C155F0D8A_FFC16E1AC8B7D09D_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3=NN=C(Cl)C=C3)(=O)=O)C5=C4C=CSC4=NC=N5,YACTUUKUQWFXCO-UHFFFAOYSA-N
-0CF8B475D25577D9_7E6B9E6E991DF152_6031_UN,CC1=C(N=N[N]1C2=C[N](N=C2)C)C(=O)OCC3(C(OC)=O)CC=CC3,QUCCOAGIKKVVMV-UHFFFAOYSA-N
-0D6053CC1010CDB0_171FD74257D882AD_6029_UN,C1CN(CCN1[S](C3=CC2=C(O)C=CN=C2C=C3Cl)(=O)=O)C4=NN=C(O4)C5=CC=CC=C5,OVRDEPHFTJQHMR-UHFFFAOYSA-N
-0DDDD6B5D08D9F83_CD0FE0A88F204852_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=C(C)C=CC=C3)CCCCC4,BETNCEAPLGDOLC-UHFFFAOYSA-N
-118F033214D86037_E7663F260908E283_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CN=CC(=C2C)C#C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,ROMMCAMURUQGDR-UHFFFAOYSA-N
-1573C917B45929BD_EB05AFC8EF33A0D6_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C(CCC3)OC4=CC=CC=C4,VVPCYPHIPCCICK-UHFFFAOYSA-N
-164E4301C66316DA_AD407E34BDF80F7F_6038_UN,CC1=C(C=CC2=C1OCC2=O)OC(C(C(C)C)[N]3C=NN=C3)=O,WSYASLNSCNEQSS-UHFFFAOYSA-N
-1719016352D1EFEE_A1336D533C8922BC_6029_UN,CC1CN(CCN1[S](C3=C(F)C=C2C=CN=CC2=C3)(=O)=O)C4=NC(=CC=C4)C,IQAOZTUEWVYMTM-UHFFFAOYSA-N
-18AC7C0E4B5478D5_E42B9D45B9E5E9B2_6041_UN,CC(C)C1C=NC2=C1C=C(C=C2)NC4C[C@@H]3OC(O[C@@H]3C4)=O,QASOIXXWPBMFDQ-SZLQFCSVSA-N
-19D5CF1E2E428185_8E0B204EA8DB7617_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C=CC(=C3F)OC)C(=O)O,KELVMYZMLXQHLH-UHFFFAOYSA-N
-1BD412D8B3D1E6FB_9524317631593C95_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C4C=CC=C(C)[N]34)=O,ITGJMHMHJVSOSK-UHFFFAOYSA-N
-1D1AC147B05863E3_D733103F0644A1B0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=CC=C(C(C)(C)C)C=C3)CC4,HDAJBPXAZILLLQ-UHFFFAOYSA-N
-1E083D229B81C3FA_86D80E6A3CCD71AF_6029_UN,CC1CN(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=NC(=CC=C4)C,OVKWXSIKIULVJX-UHFFFAOYSA-N
-1E48E9643FE70B6A_AAEBB96020A617FC_6038_UN,NC(=N)C1=NC=CC(=C1)NC(C2(C)COC(=O)OC2)=O,LCLXUESGRQHWFR-UHFFFAOYSA-N
-204EB33910895DE7_A977583F77E692B8_2875_UN,Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)C4(O)CNCC4,ASLSUNRKOOGMJZ-UHFFFAOYSA-N
-21833F8401DC798C_760B9066F05BDEFE_6041_UN,CCOC(=O)CC1=CN=C(N=C1)NC3=C2OCCC(C2=CC=C3)=O,ONKVUBRFNNLKGI-UHFFFAOYSA-N
-2208417FBB81BE67_DC6FCD45AE151F5A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCCC3=CC=C(C=C3)N4CCCC4,AGIWUXBHHORAJL-UHFFFAOYSA-N
-2681539A46C7D839_720E4371902BBAA8_6029_UN,C1N(CCC(C1)[N]2C3=C(N=C2)C=CC=N3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,MUMRCWBNGIYBBR-UHFFFAOYSA-N
-27856495574FDDE0_505B5F8C947EE87B_6041_UN,OC1=CC(=O)N(C(=N1)S)C2=CC=C(C=C2)NC3=CCOC3=O,KKGORCRXDCIPIT-UHFFFAOYSA-N
-27A00C8D3CBE8ABF_F8D0144F4E596ADA_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=CN=C(C)C=N3)=O,HJKKDGPRASKLAZ-UHFFFAOYSA-N
-2A312B05BDABE320_AB73F6A1899EED5B_6034_UN,CCC2=C1N(C=C(C1=CC=C2)C(=O)CC#N)C[C@H](C3=N[NH]C(=N3)C)N,MDYWIXKIOQKDCX-OAHLLOKOSA-N
-2A79868DB90068A3_08DBD04B7ABD118E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NN=CC(=C3)C)=O,XSAIQSTUPNLQHC-UHFFFAOYSA-N
-2D2FF2AB32307097_D076A9092F42054C_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(CC3=NON=C3C)=O,DOIVSZTVWVVBRF-CQSZACIVSA-N
-2DC0ED86E6F560A2_DD24292EA5A38252_6041_UN,COC(=O)CC1=NC(=NC=C1)NC2C(C3=C(OC2)C=CC=C3)=O,MWBQPXPISIRFHF-UHFFFAOYSA-N
-2DFB9F2C3390180C_1C64B356C5765C9F_6038_UN,CC3=C(OC(C1=C(N=C(C)C=C1)C2CC2)=O)COC3=O,XATMTSNLFRIQAU-UHFFFAOYSA-N
-2E06870316B9A14F_4BD0B38753BF9356_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(C)C=N3)=O,ZVOSIBYMIIQIAH-UHFFFAOYSA-N
-30C88EA940DBB6FB_37EE5A8ED0DAB9BF_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=C(C=CC=C4)F,JMDPBVYFBNUNPH-UHFFFAOYSA-N
-324B22E168D95F0D_FF45E4E9338BFABC_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=CC=CC(=N3)C)CC4,UEADEAQHPIZSBK-UHFFFAOYSA-N
-327D0861D130BE29_56604736C70E3E8F_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)F)N4CCCC4=O,MPUKYRLKLRNKLC-UHFFFAOYSA-N
-32B9BD797F2699BE_00711817D5A5EC42_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)NC3=CCOC3=O,VKWKPCFOVGSQAZ-UHFFFAOYSA-N
-34A288C4CE02B7F7_AA2E0015C170927E_6039_UN,CC2=C1N=CC(=C(C1=CC=C2)OCC(NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)=O)C(=O)O,PWFBVQDLLVTEJO-UHFFFAOYSA-N
-35D400D7DB3A2C6F_8CD97956710FDC9A_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCC(CO)CC4,OTXBVGYQZVFTSC-UHFFFAOYSA-N
-3850BD520FA0EA7A_410A629E2DE12C78_6006_UN,OCC2=C(N=C1C=CC=CC1=C2)C3=CC(=CC=C3)C4(O)CCC4,MOPGQJUUNCCFEE-UHFFFAOYSA-N
-39AE13FC0DDF4F4E_89A9E5227C07B1BD_7019_UN,CC3=C(C=CC1=NC=C(C=C1)OC2CC2)C(=O)OC3=O,FJMFQTVGEXFCCE-UHFFFAOYSA-N
-3A213E2E12B6D93D_7AAB579E1980BAC5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CN=C(C=C3)N4CCN(CC4)C5=CC=CC=C5,FSVCXKFSNAYLCU-UHFFFAOYSA-N
-3A7520CD15F694CE_F32F2BBF474F41D7_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,MRJIATWUWOYXLV-UHFFFAOYSA-N
-3A8D5E2739209A4F_4A4CE0D2DB9CCA47_6035_UN,CC3=C(OC1=CC=CC2=C1C(CC(C)(C)O2)=O)COC3=O,PFRMLWIPYFMLCJ-UHFFFAOYSA-N
-3B047E5C3DE4871A_10FF6C481B6EBA24_6038_UN,CC1=C(C=C(C=C1)CNC(C(C)[N]2N=NN=C2C(C)(C)C)=O)C#N,UMSAIKCDSIKECK-UHFFFAOYSA-N
-3CF0495B47BB013F_A0561C579CA3EE99_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=CC(=C3)C(C)=O,IMTGXGXSMQMECS-UHFFFAOYSA-N
-3D9458B55006DECE_B42FA7735CFEE6CC_6029_UN,CC(C)C2=C1N(CCCC1=CC=C2)[S](C3=NC(=CC=C3)C4=NC=CC=N4)(=O)=O,UKQPRGGQAKTNEI-UHFFFAOYSA-N
-3E1436852456ED88_50F32BD3A8E4ECC8_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)N4CCC4=O,RZWFKILHIMKSAJ-UHFFFAOYSA-N
-40320A1547FB4C8B_C733D9A42208F605_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,XVYYBRXHLYOKEE-UHFFFAOYSA-N
-41F3FB51E26B75A3_15E964F45781A80B_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)N4CC(C)(C)C4=O,RHJYKYHUFKSVMO-UHFFFAOYSA-N
-425312293A60F88B_B236C82EE839E47B_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C)C=C(C=C3)OC4CCOC4=O,DMZHVDPWFJJHTK-UHFFFAOYSA-N
-42935CC2141AEBBF_F7093129D8D11B0E_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2Cl)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,QVSBAFANTQLENW-UHFFFAOYSA-N
-42C645B365F37D95_03C1F35A360EBAF7_6006_UN,OCC2=C(N=C1C=CC=CC1=C2)C3=CC=C(C=C3)C4(O)CCC4,ZKIQDLIULFMFII-UHFFFAOYSA-N
-42F496175CAB595C_E1DF81C505511F4E_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=CN=CC(=C3)N4CCN(CC)CC4)(=O)=O,JBQGENAUAJCANA-UHFFFAOYSA-N
-4381FFE74E6AED79_9AD993D51B136139_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)NC3=CCOC3=O,DPFJEYIFQGBQGQ-UHFFFAOYSA-N
-43E8075251C42300_0F53DED29719A461_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C)C=CC(=C3)N4C(=O)CCC4=O,AHQPFGKLEIVRSE-UHFFFAOYSA-N
-447A56FCAB06646C_2446266F0087BE08_6036_UN,C(C#CC1=NC=C(C=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,BRHGTKLFADQPPX-UHFFFAOYSA-N
-459A088E0961BD49_526DAC24AD5F7223_6038_UN,C[C@@H](COC(C1=C(C)[N](N=C1)C2=NNC(C=C2)=O)=O)N(C)C,OHNWHIVSHULWEH-VIFPVBQESA-N
-47AFC37DE576F078_6C580629282A9ED1_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,NSECZKQDVBJDFT-UHFFFAOYSA-N
-4A951F3C22C728D1_87FF2FFC5CBB00D2_6036_UN,CC1=C(C=CC(=C1)[N]4C=C(CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3)N=N4)F,KLQSLCMKYAIOME-UHFFFAOYSA-N
-4BC2A5EE4DC92A59_A84916458C8856F1_6038_UN,N(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)C(C(O)O)=O,SAWMZFSFIYOWMJ-UHFFFAOYSA-N
-4BCA9C71D263E667_19AB71174091CF33_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)=O)CC3)C,XETSQLBFIYZQMJ-UHFFFAOYSA-N
-4C4355709AFA3C1A_A615477A747A6787_6029_UN,N(C2=C1C=NN=CC1=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,LVVOUPPIXKPEBA-UHFFFAOYSA-N
-4D40D6567F9E711A_36F8AFB987E9D8DB_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,NILDWEZYTXIILG-UHFFFAOYSA-N
-4D9FF3BFC84E164E_E5A8B6CB39D441F0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C)C=CC=C3)CCCCC4,HGJIXQDVGUICFD-UHFFFAOYSA-N
-4EB552B24FF76E71_4FC81FF0090FF141_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CC(O)(C3)C4=CN=CC=C4,UGOHULNORDPILA-UHFFFAOYSA-N
-4ED977861735FCE2_82BFB322ED97E4E1_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=N[NH]C(=C3)C(C)C)=O,PLTMNRVMEVUUHK-UHFFFAOYSA-N
-4F84F9BEE42BB0EE_92580C85D4BB0E4D_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)N=CC=N3)=O,VWBSAYFWCYZZEU-UHFFFAOYSA-N
-513475299C754817_222EBA52F62F5C40_6029_UN,OC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=N[N]3[S](C4=CC5=C(N=C4)C(=CC=N5)I)(=O)=O,BCARUBGRYGIHQR-UHFFFAOYSA-N
-53568F6A1DEE205D_E27B00B3B2393B7D_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,KFYBOARATXWPCJ-UHFFFAOYSA-N
-55C23E4D55862478_F1CFC80DFDBA8D1D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=C(C)C=C3)CCCCC4,LJZJRPFZVXSFHX-UHFFFAOYSA-N
-56085E2F158CF252_38A1E26A7586B58A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CN=C(N3CCC(C)CC3)C=C4,IOFICDMJDSDBAU-UHFFFAOYSA-N
-5676DA300CB6E64A_A81DF7FA2EDD47ED_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,JMHPVMTZHXLHQI-UHFFFAOYSA-N
-5708CF99EFFC961A_960C80AC60AA7CB3_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=CC(=C3)C(OC)=O,RHZPZRKZYUYQDJ-UHFFFAOYSA-N
-571B72F4D02CDEAA_FD1D68BFB38AC23F_6041_UN,C2(=C1C=CC=NC1=NC=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,VFUSGEYDBGDBAX-JQWIXIFHSA-N
-57349475317192A4_E1E1651CD6878451_6029_UN,ClC1=CC2=C(C=C1)N(CCN2[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O)C5CC5,KDXHNEHTWRWGGE-UHFFFAOYSA-N
-59277D3EFF9C4361_D3412945A33F4E1C_6034_UN,C[N]1N=CC2=C1N(C=CC2=O)CCC(CC(C)(C)C)N,GBAWUKAPIUZJEO-UHFFFAOYSA-N
-59697F06558C1561_4C969C47A1C8B030_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C5=C4C=CSC4=CC=N5,INUKWYYNJOHIJH-UHFFFAOYSA-N
-5A45B7219310CFBD_6521568A64E06999_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C=C(C)C=C3)F,AKKZWGJNGNRCBP-UHFFFAOYSA-N
-5A52EE90619A849F_CF7A7354B3CCD5C2_6029_UN,CC1CN(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)N=C3)(=O)=O)C4=NC(=CC=C4)C,JKROEHUPFMFKFD-UHFFFAOYSA-N
-5B3E23B0A63D9EBE_7BDE5B7B6728AD5D_7015_UN,OC(=O)C2=CC1=C(N=CN=C1Cl)N(CC2)[S](C4=CC3=C(N=C(C)C=C3)C=C4)(=O)=O,KIFNIJURSFBRGT-UHFFFAOYSA-N
-5B5D8872F04C8744_9CCFD1F7E893D2C4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=CC=C(C)C=C3)C4,JTCFASDDCFOCMM-UHFFFAOYSA-N
-5CB699F282FF30FE_D901FF16EA940CD1_6029_UN,CC1=C(C=CC=N1)CCN[S](C2=CC=C(C=C2)C3CC3)(=O)=O,PJPJKNCWRWDAHX-UHFFFAOYSA-N
-5D081801094D3389_CC0164A9F716CE58_6029_DP,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,KNHFCZBFCIWNQL-UHFFFAOYSA-N
-5E2599CC1556D00E_CCEAD11457FE00BF_6029_UN,C3CC1=C(C=C(N=N1)C2=CC=NC=C2)CN3[S](C4=CC=CC(=C4)N5CC(O)C5)(=O)=O,LYTCXPNCXRPXEK-UHFFFAOYSA-N
-627951AE0BC8261A_4BD366D2958DF42D_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C)C[N]3C=CC=N3)=O,VYKLQIGTSDOEFJ-UHFFFAOYSA-N
-629DA8B48FAB36F0_B80FE047F201DC85_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)SN=C3)=O,XUZJUTYIUGZPBJ-UHFFFAOYSA-N
-62E2707688049170_BC88A509E8B811E9_6038_UN,CCOC(=O)[C@@H](NC(CC(OC)(C)C)=O)CC1=C[NH]C=N1,XOYYYBJREYXZFP-NSHDSACASA-N
-66F35555600701AA_4F2BD5311D061DF1_6035_UN,O(C3CCN(CC1=CC=CC=C1)C2(CC2)C3)C4=C(C[S](C)(=O)=O)C=CC=C4,WLNJFHWWJOXVKW-UHFFFAOYSA-N
-68AD4EB674ABE8AF_56F9C34D310DD1D4_6029_UN,CC1=C(C=CC=N1)CCN[S](C2=C(C=CC=C2)C3CC3)(=O)=O,VXDDVMJBSIOPNK-UHFFFAOYSA-N
-68DD497E932C4097_02AB5273B71F6B9E_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCCC4,GXXHQVYKGJWGIT-UHFFFAOYSA-N
-69188BA83BB45168_70DFEAE677C11361_6036_UN,C(C1=C(C=CC(=C1)C2=CN=CC=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,QVUKCWSFZSNVPG-UHFFFAOYSA-N
-694661F45FC9B216_CBE5FB58446B26D0_6041_UN,CC1=NC(=C[NH]1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,NZRGPUIVCGBNIK-UHFFFAOYSA-N
-695CC8EB597ACD48_24CE55D34D657209_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,SIWNJHCQHBMNIE-UHFFFAOYSA-N
-6C50AB75EDD0C43B_86D8B322D88BED4F_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,OOXOYHKIYVGFTH-UHFFFAOYSA-N
-6DB1B19FA196EBB6_3791190878EC1DA4_6038_UN,C[C@@H](NC(C2=CC1=CC=CC(=C1S2)C)=O)CC3=NN=N[NH]3,MCKSSNPFJONKKP-SECBINFHSA-N
-6DDF60AD5EE73D54_5294DA62A2654425_6038_UN,N(C2=C1C=NN=CC1=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,IXBFBQKFWAYKTM-UHFFFAOYSA-N
-6FC441B23419401C_BABADD94DD507704_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C5=C4C=NC=NC4=CC=N5)(=O)=O,YDKDVQZLJCTKKP-UHFFFAOYSA-N
-710CD28A4B96D2B5_B23FFCCC115F8689_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CC3=CN=C(C)C=N3)=O,NBSSPPMBRJYPOF-UHFFFAOYSA-N
-71182B870A8A8FD1_0717F03E6F9CD7D7_6038_DP,CCC1=CC(=CC(=C1)NC(C2=CCNCCC2)=O)CC,QVWDWAZEPNSLQH-UHFFFAOYSA-N
-731A2A6A4F6C02A8_27F6715F55D7877E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=N[N](C(=C3)C)C4=NC(=CC(=N4)C)C)=O,QEEHDRVVSGVAJT-UHFFFAOYSA-N
-740FF3977D011995_9691DFBA3A0B4385_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](N=C3C)C4=NC(=CC(=N4)C)C)=O,NSLHJEXNJHYWRE-UHFFFAOYSA-N
-76ECFC1C66B43C31_93A8DF7DC77FE9E5_6041_UN,OC(=O)CC1=NN(C(=O)C1)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,KMOBGPOIFFZBOB-UHFFFAOYSA-N
-773A08420A060ADE_B7DE0ED01CF625E5_6039_UN,CC2=C1C(COC1=CC(=C2)OCC3ON=C(C(C)C)C3)=O,ODEXTDVEUIBDKI-UHFFFAOYSA-N
-78B21A8993AA42A5_F546845C65AEFAFD_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=NC=C(C=C4)F,HCQBOJWWQCALHB-UHFFFAOYSA-N
-78CF259CB374BAF3_6A43B0B66DD6C981_6029_UN,C1C(CN1[S](C3=CC=C(OC2=NC=C(C)C=C2)C=C3)(=O)=O)C4=CC=CC=C4,WDZLYCZUYMEHBC-UHFFFAOYSA-N
-79F82DC6C3D0F0A5_26BA37E57CFAC872_6041_UN,C2(=NC1=NC=N[N]1C(=C2)C3=CC=CC=C3)NC5=C(C(C)=O)C=C4OCOC4=C5,IXPLFCJSJFMYDU-UHFFFAOYSA-N
-7A6ED1E50CC96EE8_355BB90290B49345_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,GZYOVSVRSRIVAW-QGZVFWFLSA-N
-7C12424BC5335696_0CE41430BE179068_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,QGENAENLCMOPTN-UHFFFAOYSA-N
-7C22CA251D46AD9F_4D15057F65782386_6003_UN,O([C@@H](CC(=O)O)C(=O)O)C2=C(C(OC)=O)C1=C([NH]N=C1)C=C2,WFQRULNAFPLEMV-VIFPVBQESA-N
-7F1D98F6A27F81BB_56520E94084673A4_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CN=CC(=C3)C(C)Br)(=O)=O,RTVMEYHLZVJTOG-UHFFFAOYSA-N
-8032743DC05865AD_ABE9831B30049056_6038_DP,COC2COC1=C(C=CC=C1)C2NC(C3C4=C(CN3)N=CN=C4)=O,GRNBBXWEDRPAQX-UHFFFAOYSA-N
-81F33DEB6983398D_75B815C60C891AFA_6038_UN,CC(C)C1=NN=N[N]1C2=C(C=C(C=C2)NC(C(=C(C)C)C)=O)C,JGSYZRJDUWFNTD-UHFFFAOYSA-N
-852017AACF7BAE53_18BD58F3AC986255_6038_UN,CC1=[N](C=C(C=C1)OC(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O)=O,HONGXUIGGVAGJW-UHFFFAOYSA-N
-85F5536949793692_6852F758929B092B_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=C(C=CC(=C3)C)OC4CCCC4)[S](=O)(=O)Cl,DJRAIWMLLMVAOB-UHFFFAOYSA-N
-862C49AE2CB8E366_89B6E1ECEDC5758C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCC4,QYBFBPXXCVWMJB-UHFFFAOYSA-N
-890AEF45A3011661_28A6A162C92404E8_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CCC(C3=NC=C(N)C=N3)CC4,KGQITACPQJMRES-UHFFFAOYSA-N
-8BEF802586D545C2_1066AE70A848D130_6029_UN,C2COC1=C(C=CC=C1)CN2[S](C3=CC(=C(N=C3)[N]4N=CC=C4)C)(=O)=O,ICUPWYNOOXAKHU-UHFFFAOYSA-N
-8CB9A73BFFDDB2B7_452AD87A2CE6A701_6029_UN,CC(C)C2=C1N(CCCC1=CC=C2)[S](C4=C3N=CC=NC3=CC=N4)(=O)=O,VVCCWYVBNAWZHD-UHFFFAOYSA-N
-8FCB40C916ADA127_EBB706995E303A53_6036_UN,C(CC1=C(C=CC=N1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,VINRBOOMRSRRKZ-UHFFFAOYSA-N
-8FD8295CB3871F16_562693055B022834_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C(C=CC(=C2)C)[S](=O)(=O)C)[N]3C4CCCC4,OZLWWKLDJPGPOW-UHFFFAOYSA-N
-901D468481A7B99E_845794AEBFB0A784_6029_DP,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,RIKFURMVNJKUCD-UHFFFAOYSA-N
-91A71E8187E1860E_7169F646C5DE2183_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,XOZIVEBZMJWTRZ-UHFFFAOYSA-N
-9250572DA3548FDA_98CF6F9BC174EA4C_6036_UN,C(C1=C(N=CC(=C1)Br)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ZFGSRYDGNBVQFF-UHFFFAOYSA-N
-936C9A2B8C21C84E_375E0D2F6B8A761E_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C4=C(N3CCN(CC)CC3)C=CC(=C4)F)C,YBAFRBWUYRIAMP-UHFFFAOYSA-N
-94D1C0C371EC701E_3B07EF4247457672_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)[C@@H]3C[C@H](C3)[N]4N=NC=C4)=O,WKXTWAUQBCSTTL-XYPYZODXSA-N
-9804481A058C4669_A0B09177A9D6ADF2_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,LHBCUZKRVUQZRG-UHFFFAOYSA-N
-9CCB7D7CBB5FB332_B87CD3223DD22116_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC(=CC=C4)[N]5C=NC=N5)(=O)=O,CJKAZSKFTGSACM-UHFFFAOYSA-N
-9D0EA5E8F7A46BDF_EBAABA11C9023D6B_6029_UN,C1N(CCC(C1)[N]2C3=C(C=N2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,ULICQQSKUQYYCX-UHFFFAOYSA-N
-9D4228DF9518410C_02167F3245BBF79D_6041_DP,OC(=O)CC1=C(N=CC=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,GQPZNMDGPCMJJN-UHFFFAOYSA-N
-9F67715BB9604192_BC5EC772DC0B3082_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C(C)SC3=NC=CC=N3)=O,XLLFSVUCUJGJAX-UHFFFAOYSA-N
-A0FE985CEC60FEC5_AF3D261552E57FDE_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=CC=CC=C4,RIWJXQNAWQWKNL-UHFFFAOYSA-N
-A156832B9F7132B6_FDFBF6FB3614D141_6036_UN,C(C1=C(C=CC=N1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,SHNVMBKAXDDATP-UHFFFAOYSA-N
-A1D17F16125899BF_D520B5B10B999D76_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=CN=CC4=C3[N](C)C=N4)=O,TXPXTYQOBZRDBL-MRXNPFEDSA-N
-A40FD504B8F59ED5_A8E25336D75D8E08_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(=C2)C)CCl)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,CMEWVOIQPUDFDF-UHFFFAOYSA-N
-A58C891953400682_4976F5869B2F3609_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC(C3=C(C=CC(=C3)C)C)=O,RASKFNXUJZBMOM-UHFFFAOYSA-N
-A5A550AF9C5FC447_1472A257DDE64DE2_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,OULCSOOZWYWNGI-UHFFFAOYSA-N
-A6C3E0A5C57C43BA_A0743B0DD2BDB465_6038_UN,N(C1=CC=C(C=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(C(O)O)=O,NXPJPMURSZLSRO-UHFFFAOYSA-N
-A6CF63075CA835C0_BD0C75F466414C35_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2C=CN=C3)(=O)=O)C4=NC(=CC=C4)C,UPRUTBQFGLYYJK-UHFFFAOYSA-N
-A90F612662EB1EB0_FDD898656316A359_6038_UN,CC(NC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)CC3=C(C=C(C=C3)N(C)C)C,QQACIKDSDNGYJT-UHFFFAOYSA-N
-A9A665CE52484B11_0BCA05296D7865E5_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)N4CCNCC4,FVQKNXMIFPKJET-UHFFFAOYSA-N
-A9EC41574A38A433_58969FF9CC53B3D2_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=NN=N2)CCN(C3=NC=C(C#N)C=C3)CC4,KCMHBPHYQMSVBC-UHFFFAOYSA-N
-AA09193A1E23EDA9_BC0CEF808F38D186_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C[N]2N=NC(=N2)C3CC3,LCMVALBETBVJBU-UHFFFAOYSA-N
-AA8D0BD078F865AE_2192E5B56D7D928D_6029_UN,CC1=CC=C(C=C1)C2(CN(CC2)[S](C4=C3N=CC=CC3=CC=N4)(=O)=O)O,RBZGBGFHBFUIDS-UHFFFAOYSA-N
-ABC5F4397C84F746_C30E22013079D56F_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4,UNIJIULBEPQRNG-UHFFFAOYSA-N
-AC18F55A95E6A25A_5AB79ABFA144C6E3_6031_UN,O(C(=O)C1=C(C=NC(=N1)N2CCCC2)Cl)CC3=C[N](=CC=C3)=O,HKNUHMRWMWWDMR-UHFFFAOYSA-N
-AC4BB06AA7D79798_20B73EDB5E611A16_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=CC=NC=C4,XWMWVDPGQMZNRR-UHFFFAOYSA-N
-AD3A2F443BA83232_CFDD2B36DE365E1D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3)N4CCCCC4,YIYWFLXCJACEQL-UHFFFAOYSA-N
-AEE7D93537B4FD86_218A323906567426_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)C3=NN=C(Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,FYSHRGJKGANJPL-UHFFFAOYSA-N
-B22F3F6AE90758DD_6EF37708C649588E_6029_UN,C1CN(CCN1[S](C2=CC(=CC3=C2N=CN=C3Cl)C)(=O)=O)C5=C4C=CSC4=CC=N5,FIMDKLZKMDLIQW-UHFFFAOYSA-N
-B27236A183F92BCE_667531BF147EB7FF_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)CCOCC4,AONPMXNHYUACBI-UHFFFAOYSA-N
-B2D176EADA2BBA6A_64B48D63CFD4A2A7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCCC3=CC=C(C=C3)N4CCCCC4,DULKESHPPKJVPG-UHFFFAOYSA-N
-B359A82EB09E4629_DC69FD1FFABADD28_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CN=C(N3CCCN(C)CC3)C=C4,FOYSHQYOSPDVJV-UHFFFAOYSA-N
-B37CEA69683108FA_61227E5B9A310F29_6028_UN,N#CC1=NC2=C(C=C1)N(CCC2)[S](C4=NN=C(C3=CC=CC(=C3)C)[N]4C5=CC=CC=C5)(=O)=O,KVIOFUAOURJVAI-UHFFFAOYSA-N
-B4287ABA818458EE_82C13DA302D9F635_6029_UN,N(C1CCC(CC1)C2=CC=C(C=C2)F)[S](C3=CN=C(C)C=C3)(=O)=O,VOCJZVJMYAYIBJ-UHFFFAOYSA-N
-B443AEDB2F40CBC9_C69D6F351A752865_6029_UN,CC1CN(CCN1[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O)C4=NC=C(C=C4)F,CTVPJSDYOMHENN-UHFFFAOYSA-N
-B6F907127EC6E11F_523F63DDF4168F37_6029_UN,CCC1(C(C1)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C,VNFXVDXJYXMAIN-UHFFFAOYSA-N
-B8673698F0F66906_18928252D5008C5D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CCC3)C4=CC=CC=C4,QQXUWTAAUKDGEP-UHFFFAOYSA-N
-BA4305962688E2A0_3A5489B42AF123D6_6038_UN,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(C(O)O)=O,FQWOHVLPBUXXRE-UHFFFAOYSA-N
-BBA091FF5B961D80_A685533806E8A6F4_6029_UN,CC1CN(CCN1[S](C2=C(C=CC(=C2)Cl)[N]3C=NN=N3)(=O)=O)C4=CC(=C(C=C4)C)C,IEYGLSFDTKSHRL-UHFFFAOYSA-N
-BE4E1FCDDF16D271_F7170A551E6BEA00_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)N4CCOCC4,LHFDVONTLGUOTQ-UHFFFAOYSA-N
-C05CA68BC4658AED_122E8A26273D1CF2_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@H](OC)C)CC(=O)O,MVHMWIMOALOVPH-BXKDBHETSA-N
-C190ACDD27F42731_F4E9C925F1AAAB87_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4[C@H](C3=CC=C(C(C)C)C=C3)C4,QDVFCTXTMYXSFN-FXAWDEMLSA-N
-C20DE7235EDE18D7_86128CB4B782D9C8_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NSC(=C3)C)=O,MOGUKMGEGHYHKS-UHFFFAOYSA-N
-C31EAA619E4EA6FB_888F0E8C8FDF6924_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(C(C)(CC3)C)C=CC=C4,GEVQLWMGLQOTKE-UHFFFAOYSA-N
-C41EB17B35725547_2C205854BDD32025_6029_UN,C1CN(CCN1[S](C2=CC(=CC3=C2N=CN=C3Cl)C)(=O)=O)C4=NC(=CS4)C5=CC=CS5,PDTRDEWZQANFSN-UHFFFAOYSA-N
-C5AFB82A00D64EBD_FDB062BBA2F46A83_6036_UN,C(C1=C(C=CC=N1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,WENRKNKLAANXBZ-UHFFFAOYSA-N
-C79E49F32B6F1056_64CF3547F7712526_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O)C5=CN=CC=C5,ULZLCLHUSCHGDU-UHFFFAOYSA-N
-C853C310AB885D6E_886DB3981ED6A99F_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=C(C=CC(=C3)C)O[Si](C)(C)C(C)(C)C,OEBMSOHKEOTDNS-UHFFFAOYSA-N
-C9C5E3F5CE059333_0631A2ED3B396E40_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=CC(=NC(=N3)N(C)C)C)=O,DKFIIXFJUOWXMQ-UHFFFAOYSA-N
-CB1FE9764D1CA2DD_ABE2EC3FE1301490_6035_UN,CN2C(=C(COC1=C(C(N(C)C)=O)C=CC(=C1)Br)C[N]3N=NN=C23)C,VSFLGNSBIMDLMO-UHFFFAOYSA-N
-CB659A1E7E635205_6CFD8B6961CF7823_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCC(C3=CC=C(C)C=C3)CC4,XQTXITZQFIGEBG-UHFFFAOYSA-N
-CCD14A4328AFD54D_2A0CF8D15816F835_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)C=NC(=N3)C4=N[N](C=C4)C)=O,LICJAXXWYJNFCQ-UHFFFAOYSA-N
-D04BBA34E5C4950F_8C8A41D3F3AB2FC7_6029_UN,CC1CN(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=CC(=C(C=C4)C)C,XZPICPUBRWOUAW-UHFFFAOYSA-N
-D25B046B8840575F_2B363155A38277D9_6035_UN,CC(OC1=N[NH]C(=C1)CC(OC)=O)(CN)C[N]2C=C(Br)C=N2,JTVLDNCVDPUAHY-UHFFFAOYSA-N
-D27E781FEAA61518_EF8983E5F9460BC4_6029_UN,CC(N[S](C1=CN=NC=C1)(=O)=O)C2(CCC2)C3=CC=CC=C3,CZGFOSYFURBECO-UHFFFAOYSA-N
-D27EEAE22347655F_C89722797D9E3AFE_6038_UN,COC1=C(C(=CC=N1)C)CNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,IBLVQNCOBDIILQ-UHFFFAOYSA-N
-D417E701CB558319_4B770C695C9F0459_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=C[N](=CC=C3)=O,APBFBUNIUXEVPU-UHFFFAOYSA-N
-D61D267A27840B80_A756CCCBAF402944_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)[NH]C=N3)=O,FZDZDQUZCILLJL-CQSZACIVSA-N
-D69D2A5C6B40FEF3_0A3FC871AAD79E4E_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)CCOCC4,VXPPAZCQTGRDIM-UHFFFAOYSA-N
-D9489FA29F20482B_38F931BDD3548D2B_6036_UN,C(C1=C(C=CC=N1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,HEVAFVJAFBRQSO-UHFFFAOYSA-N
-DA9BF5164B973136_4802B2FB61BB59EB_6029_UN,N(C1=C[N](N=C1)C2=NC3=C(N=C2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,RSCUURYRVMZNOS-UHFFFAOYSA-N
-DD25AC101A9DCF2D_02FD4CD163EECF88_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C4(C)CC4,UHZCQNHLCXJHGT-UHFFFAOYSA-N
-DEB270CDF10FECF8_AE96CB070905BA5D_6038_UN,N(C1=CC(=C(C=C1)I)F)C(C2=N[NH]C(=C2)CCCCC)=O,JCWNRNYXYGHZPN-UHFFFAOYSA-N
-DFCE579BA2CE007C_0BF7D675D3788C91_6041_UN,OC(=O)CSC1=CSC(=N1)C2=CC=C(C=C2)NC3=CCOC3=O,LAKDDLFWDWPNAH-UHFFFAOYSA-N
-DFE7E0D1AB5BDFA9_15E19997D8AAC694_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=CC(=N3)C)(=O)=O,WVYJGWSECLATTB-UHFFFAOYSA-N
-E2CDBFDC97E80737_9B8FA7E21EB647AC_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)N4CCC4=O,KCHJEODNEFRJPV-UHFFFAOYSA-N
-E34358ED921CA960_2F1EB863756DA66F_6036_UN,CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N([S](C)(=O)=O)C3=C4C(=CC=C3)CNCC4,VSCGEZRACZRXQA-UHFFFAOYSA-N
-E391C686742A0D5F_607493F4BE0C19A2_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=NC=NC(=C4)C5=NC=CC=N5)(=O)=O,LQHDTTKHFIYFQA-UHFFFAOYSA-N
-E512A79031FC8948_5EA3E8456300BEA7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3)N4CCCC4,WLFPQWBGDURPSE-UHFFFAOYSA-N
-E8B2C9D38461D6FF_39201C80CE6EC635_6034_UN,CC(C)C(N)C1=NN=C(C)N1C2=C(C)N(C=CC2=O)C,DOGCNWKRRMXDRG-UHFFFAOYSA-N
-E99C941BD729143B_C779A247EE523C6A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CN=C(C=C3)N4CCCCC4,CAPDTEJHOFZFIS-UHFFFAOYSA-N
-E9D4E897B4ACE3C4_13D74A3172EE5E4A_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=CN=C(C=C2)C3CCC3)(=O)=O,FDBHLTNAWJNRLX-UHFFFAOYSA-N
-EAEB43955DBA4332_C8F56C388A68C3B3_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,PJQSCUZVWYBERU-UHFFFAOYSA-N
-EBBF65F1E762D3C4_67637479B6ED025A_6041_UN,CC(C)OC1=CC(=CN=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,ZKECNMLFXDNOOS-MVCUKOFQSA-N
-EDBA883D183F2DF1_92DB53E0A775EFD8_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC=C(O)C=C3,WKYACAWJAFJSOD-UHFFFAOYSA-N
-EEA21ED71D1B47DD_E459AD802B0ABB61_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2N[C@H]3CC(N(C)[C@@H]3C4=CC(=C(C=C4)F)F)=O,AKBWMTULDUJWLE-BLLLJJGKSA-N
-F164147D275A177F_AB89D52E4AA3EEF4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCCC4,YYGFGUAFERNSNE-UHFFFAOYSA-N
-F2D5D425B2E2B7C5_1B9FE8BC0DD7BB7F_6036_UN,C(C1=C(C=CN=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,OZPMFYONLFHGIX-UHFFFAOYSA-N
-F466525871CA212C_6747B606FD1B83A6_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CN=C(C=C3)N4CCN(CC4)C5=NC=CC=C5,VELMQDLWQOAMAE-UHFFFAOYSA-N
-F559F700804B16A3_9F7C4C4F0A0531A1_6038_UN,CCC(OC(=O)C1=CC(=CN=C1)N2CCCC2=O)CC3=CC4=C(C=C3)OCO4,MUJVOBKNCMXVOD-UHFFFAOYSA-N
-F81141474490B44E_28200F7582D9F51C_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(N)N=C3)=O,KGAJBINCBMIEBU-UHFFFAOYSA-N
-F843637983DE6D6B_8A9C299893D25DFC_6029_UN,C1C(CN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NC(=NC=C4)C5=NC=CC=N5,IJKDGXKCLNKCSS-UHFFFAOYSA-N
-F95AE9BA0EE8EB3E_24B5C296853B0882_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)N=CC=N3)=O,LMIVIFXVKZGFRM-OAHLLOKOSA-N
-FB37A86B024FB9CB_A109ED59D01E163B_6029_UN,C1C(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)OC4=CC=CC=C4,RQFPELJOFUSSBH-UHFFFAOYSA-N
-FB9A852729C206BB_86975F7C5CA3BE72_6041_UN,OC(=O)CC1=NC(=CS1)C2=CC=C(C=C2)NC3=CCOC3=O,IASVLEQLBNGXBT-UHFFFAOYSA-N
-FD3162C0B67E9F86_C0C69060B5A788AE_6029_DP,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC(=NC=C4)N5CCNCC5)(=O)=O,QZTFAJFLIWDMPZ-UHFFFAOYSA-N
-rxn:2:119659:147741,CCc1c(C2CCC2)nn(C2CCCCC2)c1NC(CC)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,XNTIBKMBHBDPDT-UHFFFAOYSA-N
-rxn:2:84946:112117,CCCC(NCc1ccc(OS(=O)(=O)F)cc1)C1CCN(C(C)C)CC1,SYBNWZMTLCSUEF-UHFFFAOYSA-N
-042A5BDEDC4F7BBD_6E02081562772B9C_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,RYHWJPOVAWELIT-UHFFFAOYSA-N
-04E2F81B747BA4E4_1D001817BE77CFB6_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,KJYXJCUBTNREGQ-UHFFFAOYSA-N
-07E3C50C7061167F_CDFB490DF0C8A2AD_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC=NC(=C2)N3CCOCC3,YJXLFRQYMGHJHB-UHFFFAOYSA-N
-0AA9FEDFDDAB7B1F_AA131B9DA1E4F8E4_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C5=C4C=CC=CC4=CC=C5,CIMZSJPOMAULCG-UHFFFAOYSA-N
-0D8C290D607DDCF9_C2D76C1E235E3DF7_6026_UN,C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,AUSFQHAMDOOKJS-UHFFFAOYSA-N
-11FF70F22DCC730A_6E978F86EB4257FC_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,TTZPVVRBQCFCQR-UHFFFAOYSA-N
-13F2DABC022B669D_5770F7E74335F4E0_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=CS3)C)(=O)=O,GKLIFSKJPDETPB-UHFFFAOYSA-N
-13F2DABC022B669D_7234391983F49177_6028_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=CS3)C)(=O)=O,GKLIFSKJPDETPB-UHFFFAOYSA-N
-14B805FEC74327CB_65DE1E5E4629F86F_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C=NOC)=O,LHUFJSMNXSGSMU-UHFFFAOYSA-N
-15A46B3BEA7D2FAF_5C8E29AAA1D05EEB_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=CC=CC(=C3)C)(=O)=O,BLRPXVCPOACSAL-UHFFFAOYSA-N
-15C447512363ECAF_80F4D0ED93206307_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3)[N]4C=NN=N4,CNQCHESWWGOZST-UHFFFAOYSA-N
-1752DAFF68496923_0E47313ADBEFC004_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,BELNMFYOXIMSHT-UHFFFAOYSA-N
-1BC381135C2FB118_1E9CA9DA06E45863_6031_UN,O(C(=O)C1=C(C=NC(=N1)C2CC2)Br)CC3=C[N](=CC=C3)=O,GIJMVPDWZUWCKP-UHFFFAOYSA-N
-1C1D9D701B72BF15_399D769B222B93EE_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,ASCBNOGVUHWQCJ-UHFFFAOYSA-N
-1C776A133F6C3025_1CAD4201B9000D2B_6027_UN,C1CN(CCN1[S](=O)(=O)C2=CC=C(C=C2)Cl)C3=NN=C(C=C3)[N]4C=CC=N4,RGMITKORCCIOPF-UHFFFAOYSA-N
-1E7711E7B1ECFB3D_395C7F0209C2A89D_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,DMOGQYKURWEMCK-UHFFFAOYSA-N
-2108464B7CB73D97_A7DC8AB8FEEE6DB4_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(OC)CC(=O)O,UZJHBURNIOFXIP-UHFFFAOYSA-N
-214C8E7793C0CFD5_1E3EF2B446A7D73B_7017_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=C(C=C3)N)C)CC4)F,BGWPRQYKSDNABY-UHFFFAOYSA-N
-27334DCFE67DC40D_005421462739DA96_6026_UN,ClC1=CC4=C(C(=C1)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3)N=CC=C4,PZKRXSXRSKGHAC-UHFFFAOYSA-N
-2A2622B3FE8767A5_4BE30CED41BAB612_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,YMYGRZZLXYDWJG-UHFFFAOYSA-N
-2ABBB07B2E329BE1_3BF60FFEEBBFC7BB_7005_UN,CC(C)C1=CC=C4C(=C1)N=C([C@H]3[C@H](C2=CN=C[N]2C)C3)[NH]4,HLOGBXAYEBGBSY-CHWSQXEVSA-N
-2C89613F761364A0_74B2EA429830B236_6003_UN,O(C1=CC=CC=CC1=O)C3=CC2=C(C(NC=C2)=O)C=C3OC,OPOSRRKFYFNZBL-UHFFFAOYSA-N
-2CC90247364FF44F_4393DC914C2F8081_6034_UN,CC1=C(N(C(S1)=O)C[C@@H]2C[C@H](OC)C2)C3=CC=CC=C3,XEHVWFIJJZVNBW-XBXGTLAGSA-N
-3ECA2E6DE71661A8_1BE496A280275696_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4,SRYSKFPQSNDNLH-UHFFFAOYSA-N
-407E3464A7F0020E_D32C3198A7D45186_6026_DP,[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CC=N4,JKJYGFZAOJPVBC-UHFFFAOYSA-N
-422F25AA78A97862_CFCECD28C434C573_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,GUMOLJTUWMJDHF-UHFFFAOYSA-N
-4A20BBD7A450DC9D_8B269225D687243D_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4)F,ZQMIGNITODPKEX-UHFFFAOYSA-N
-5112E68235825BFB_F09BE5072FBB43A9_6006_UN,COC1=C(C=CN=C1O)C2=CC=C(C=C2)OC3=CC=CC=C3,UQQZIEVQIFULQJ-UHFFFAOYSA-N
-547F7BB624D283A8_702B26A337CC28F6_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,VUJOTRJLMOUIHV-UHFFFAOYSA-N
-55BBF785A622F808_E56A513D69A2C996_6038_UN,OB1OCC2=C(C=CC=C12)OC(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O,WJXVEPBVMMMHLL-UHFFFAOYSA-N
-57499A9F712A15E7_9F9F44E9067BC829_6029_UN,C1CN(CCN(C1)C2=NC=CS2)[S](C3=C[NH]N=C3C4=NC=CN=C4)(=O)=O,KPBPSZLQWJKAQI-UHFFFAOYSA-N
-59D2E1A4455F738B_C650360ECD254772_7019_UN,O[P](=O)(O)C=CC1=C([N](N=N1)C2=CC=CC=C2)C3CC3,UZMRSVUSTYCGPK-UHFFFAOYSA-N
-5BB5A708B83AE359_6117B1B8F01D3D5B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]3[C@H](OC)CC3,OZVOUWUAFOUSCZ-VXGBXAGGSA-N
-6048624D84EEE13D_712C48136633479D_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,ROFIKEHMNZRPPJ-UHFFFAOYSA-N
-685BF68413CC2903_2750C59B24D1DE8B_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CN=C(S3)C4=NC=CN=C4)=O,FQDSKCSJRJTVTI-UHFFFAOYSA-N
-69AA6A02DFBA879F_38AC291D47407011_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4,GMZYDJZNOIXLJS-UHFFFAOYSA-N
-709EA5ECAFAE8AD6_912BAEDAD34F628B_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=C(Cl)C=C2)Cl)CC3)[N]4C=NN=N4,NXHJALPTICLBEP-UHFFFAOYSA-N
-7150198CF7D09681_211817F7B43FDB0D_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,JPOSLAWCZFQIAV-UHFFFAOYSA-N
-7171B9A2C4D92C39_113D2201ADBF0E1C_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,LPFQKKABVWITOL-UHFFFAOYSA-N
-7EEC1BFD3AED4B6A_472620FCD067003D_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=C2)C(C(NO)CC3=CC=CC=C3)=O,FZDRNLPVBFQZGQ-UHFFFAOYSA-N
-7F9926D556314E44_90FE09400D7E4665_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,JRXZYBDUARQSCN-UHFFFAOYSA-N
-7FD07ADF2FEBFBD1_348ADD4D5534A273_7019_UN,C(C(=O)NC1=CC=CC=C1)=CC2=C(C=CC(=C2)OC)O,JRCUVPADQPLILS-UHFFFAOYSA-N
-7FD07ADF2FEBFBD1_9E3D7299C0FF0841_7019_UN,C(C(=O)NC1=CC=CC=C1)=CC2=C(C=CC(=C2)OC)O,JRCUVPADQPLILS-UHFFFAOYSA-N
-80D97E540B872B14_CDEF51B71EE02FBD_6041_UN,CCOC(=O)C1=NC(=NC(=C1)C(C)C)NCC2C3=C(B(O2)O)C=CC=C3,MIOWZOQVBNSHIK-UHFFFAOYSA-N
-83F375637DF2E547_F1FE7D3BCC110002_6029_UN,N(C1=C[N](N=C1)C2=NC=CC=N2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,FRGLXBIKMMNTCW-UHFFFAOYSA-N
-872AEBB9A4FF1392_317740311D83EF30_6029_UN,C1CN(CCN1[S](C3=CC2=C[N](C)N=C2C(=C3)F)(=O)=O)C4=NC(=CS4)C5=CC=CS5,QHHWBSKQKVPLQB-UHFFFAOYSA-N
-8836826C46915DE7_E38E94DC98391C8E_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,AXDIOTYZMWAKBA-UHFFFAOYSA-N
-88EB890DC026D10D_F2640FDB2696BC68_6028_UN,BrC1=CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CVLKAUJHBVVEPB-UHFFFAOYSA-N
-899A1C605D9D4F6B_1A14C0BDCEA58E1A_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,GKAYZBOSKPMFCT-UHFFFAOYSA-N
-8EB83B62EDB14AB5_DD977F331E204FF3_6029_UN,C1N(CCC(C1)C2=C3C(=NC=C2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,QJHKSXJTFMONIS-UHFFFAOYSA-N
-8F80BBFF1CDBFBAB_1F26BF3D8186FAC4_6026_DP,[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CC=N4,PPFCIZICIGHUMK-UHFFFAOYSA-N
-9073D501A022F9F9_32DCCF9468DD6F63_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4N(C)CCC4,MZQMJYOYWJQVHS-UHFFFAOYSA-N
-90F7AAFDBBB14F7A_531525A904963C96_6036_UN,C(CC1=C(C=NC=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,HDJBXALBBCCTGP-UHFFFAOYSA-N
-923E83F43E87C6FD_F5DBAE10F56DD07D_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,JOGOCCSGZCJPPR-UHFFFAOYSA-N
-9806FCF34D10CC19_6F66D4A93B616F04_6031_UN,O(C(=O)C1=C(C=NC(=N1)C2CC2)Cl)CC3=C[N](=CC=C3)=O,XQNUFLSLEUIGHG-UHFFFAOYSA-N
-9B75A3F82AD40271_E35A2E26548B3D8B_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C4=C([N]3N=NC=C3CO)C=CC=C4)(=O)=O,ZQXZWUMNJFQJQR-UHFFFAOYSA-N
-9FFC4670C3653B44_0081E035E94BC8D0_6029_UN,C1=N[N](C=C1C2=NC=NC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,ZSBHCNDAMUPMEX-UHFFFAOYSA-N
-A0D0C485DD91D591_A82B27533A757F4F_6041_UN,OC(=O)C1CCN(CC1)C2=NC(=NC=C2)NC3=C(C=CC=C3)[As](=O)(O)O,GNZFTPRHMNQLSU-UHFFFAOYSA-N
-A174A6880C21A868_5574C787D9C547C9_6039_DP,CCOC(=O)C1=CN=[S](=O)(C)C=C1OCC2=C[NH]N=C2,QMUUDQSHEKMRSB-UHFFFAOYSA-N
-A2B542B7D5ACD10A_26D626B1774485EB_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,HMCBEIDGKDIGOR-UHFFFAOYSA-N
-A69F9CE22F2DBED9_C61013F40A6936D7_6029_UN,C1CN(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NN=CC=C5,ODTQTQNZWMICHS-UHFFFAOYSA-N
-A70594F550949A6E_31F8C3C13DD0D6FA_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCC(C3=CC=N[N]3C)(O)CC4,WNZIALMCTFWNAW-UHFFFAOYSA-N
-ACB41DD62877A606_299177B72AEF13B1_6029_UN,CC1=NC=C[N]1C2=C(C=CC=N2)N[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,XYUBQPKTRMSCGA-UHFFFAOYSA-N
-AF0324EE75E1CC7F_A8EF1B66E242D524_6029_UN,C1CC(CCN1[S](C2=C(N=CC=C2)C3=NC=CC=C3)(=O)=O)C4=CSC=N4,KPVYQXKANZBRSN-UHFFFAOYSA-N
-AF9232263E34FF89_2E7E8FC5758B49E3_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(C)CCCC4,IASNTZWTMKQGKS-UHFFFAOYSA-N
-B0878F246CBBE9AE_5011D48BC8447D42_6028_UN,BrC1=CN(N=C1C2=NC=CS2)[S](C3=NC=C[N]3C4CC4)(=O)=O,SHKDVWIKWFFFJW-UHFFFAOYSA-N
-B1945138BE3F695A_CAC30EE7C8745CEF_7005_UN,[NH]2C1=CC=C(C=C1N=C2C4=CC=C(C3=NN=C(C)C=C3)C=C4)[S](=O)(=O)N5CCCC5,XPBBGOWJXIETGQ-UHFFFAOYSA-N
-B1C9A574CB3EFCA5_222C3BBF9B19A67B_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,GDYLQGILKGPUCX-UHFFFAOYSA-N
-B54B0685050BD75F_C4445154973C924C_6036_UN,C(C1=C(N=CC(=C1)Cl)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,HNUGPIZRKOAGTE-UHFFFAOYSA-N
-B5CB04DB21934436_45786551E0902BF4_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,TXEAGGPIHPNJDN-UHFFFAOYSA-N
-B9B6358DD53C4728_AB7A1FA99F174337_6029_UN,CC2=C(C1=NC=N[N]1C=C2)N[S](C3=NC(=CC=C3)OC4CC4)(=O)=O,DXOBHAXFSRFFSQ-UHFFFAOYSA-N
-BC6F24BAB5BC6143_A75E08CAFF67E4E3_7022_UN,COCC1=C(C=CC(=C1)OC3CN=C2N(C=C(C)C=C2)C3)Cl,YMBDUXAZLMOQQJ-UHFFFAOYSA-N
-BCD540F3C52B7522_02D1307B0D86EC66_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,UBKRGLPWYQKLHA-UHFFFAOYSA-N
-BD8064C7F3F6D2DD_A3636359955EDD2D_6029_UN,C1N(CCN(C1)C2=NC(=NC=C2)C3=CC=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,DWEBDSGHOSMPNR-UHFFFAOYSA-N
-BF309240BE044AF5_EF20701ECC2B5416_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=C(C=CS3)[N]4C=NN=N4)=O,RWPOTJAXZNLXIE-UHFFFAOYSA-N
-BF8D6846E1301D5D_2D701E4D7937A9B9_6038_UN,C[C@H](OC(C2=CC1=C(COB1O)C=C2)=O)C[N]3C=NC=C3,PYYWDQYNAZBPCV-JTQLQIEISA-N
-C171A295BDC9BB04_639418E4FD5DB023_6035_UN,CCC(OC1=C(OC)C=CC=C1OC)C2=CC=CC=C2,TYSMJQMJFQNYNU-UHFFFAOYSA-N
-C232175D66328103_BCE0A9BD55E35441_6038_UN,OB1OCC2=C(C=CC=C12)OC(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,UCXMPKKCFVRFCH-UHFFFAOYSA-N
-C2E387D8F4785C3A_2B2C579CF562C000_6038_UN,C[N]1C=C(C=N1)C2=C(C=CC=N2)NC(C3CC(C)OC3=O)=O,RPSCUOKYFSGEHS-UHFFFAOYSA-N
-C7017566620D2D42_DC3427D837240EC4_7015_UN,C1CN(CCN1[S](=O)(=O)C2=CC(=CC=C2)Br)C3=NN=C(C=C3)[N]4C=CC=N4,JANLXUFIMBMCSE-UHFFFAOYSA-N
-C7AEA118342D96A6_D776B659FCAB2215_6034_UN,CC1=C(SC(N1CC2COC(=O)N2)=N)C3=NC=C[N]3C,ZNOKPKYOGHHFII-UHFFFAOYSA-N
-C80510E67E3B1CA7_B1095BE559B5BFE3_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=C(C=CS3)[N]4C=CN=N4)=O,JQEOXFNUMUEMND-UHFFFAOYSA-N
-CCB91DF5830C0C7E_3E2F035ED729B1FC_6038_UN,N(C2=C1N=N[NH]C1=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,AOKPRSIUJDVKQB-UHFFFAOYSA-N
-CD2E4E8D2F980BBB_E7A2224EA4A7F6B9_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,RDKFHEYZDDSEFF-UHFFFAOYSA-N
-CFB57A7295132F46_B8B17065E9071389_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C([C@@H]3C[C@@H](N(C)C)C3)=O,TUJMFAGKIOMART-HOMQSWHASA-N
-D1185E4ABA5D1392_64F8F4AC067693AE_6029_UN,C1CN(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)C4=NN=CC=C4,ZQJYEPTZBUZUGI-UHFFFAOYSA-N
-D34C0CB264C789E4_94C0C7CA9ACFDA4B_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3)C#N,YVHPIHKEKDNSGV-UHFFFAOYSA-N
-D5B5928FB3EF46C6_86AB085B657934E2_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=NC=C3)N4CCCCC4,CXCRWIWUXFEABD-UHFFFAOYSA-N
-D5F7332C2FB5FB53_FD0749D9FBA32EF6_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)F,VZPNIYPLIYFHDM-UHFFFAOYSA-N
-D68AED5273B5BF21_BB36BBA86C819D26_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N3CC(C3)C4=N[N]5C(=C4)CCCC5,YVCNAWRSIVYADL-UHFFFAOYSA-N
-D871B1A6A9F3D852_08FD4683BC4AA391_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)C3=C(C=C(C)C=C3)C,VWIISVAKMUBMGH-UHFFFAOYSA-N
-D8FD5B7CA48C43FA_D8A4818DE125A06B_6026_UN,ClC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,ADRAGIRPWCGTGY-UHFFFAOYSA-N
-DD5E1D2F3FBCAC1F_82782989267736FE_6029_UN,N(C1=C[N](N=C1)C2=C(C=CC=N2)C#N)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,OVWPXSRHCFOKPB-UHFFFAOYSA-N
-E0D61754E2E29D93_F8C081A1A39D46E8_6043_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)N[S](C3=CC(=C(OC)C=C3)O)(=O)=O,KRQPGBJNUGZPKE-UHFFFAOYSA-N
-E42D2BB15EF5200E_9C13BEA54688ACE0_6026_UN,ClC1=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,UFNJDLCLRZSFNS-UHFFFAOYSA-N
-ED5ACCBB5F0FDA51_0C96F5976B5F001F_6038_DP,N(C1=C(C=CC=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,UNYWYCPNMDTXRF-UHFFFAOYSA-N
-EF889DF292B96B98_1F48B7DD25F8A6FA_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,RIPRQZGLPFPFEX-UHFFFAOYSA-N
-EF97C753CE42EBDB_BBDC8695F11F7FD0_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C=NOC)=O,SYUMCMDWYMMFKF-UHFFFAOYSA-N
-F412E459C3726365_207864A5A6DA1FA9_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2C3=CC=CN(C)C3=O)C4=O)N5CCNCC5,PJYXZYUXIGSUJD-UHFFFAOYSA-N
-F45753335E6325E3_FAB2BA3FE7AC6492_7022_DP,OC1=CC=C(C=C1)OC3=CC=C(C2=CC=C(C)C=C2)C=C3,IEJVJQKWCWAKJP-UHFFFAOYSA-N
-F631C1BB206B4D58_C8A85F1E755FE98D_6029_UN,BrC1=CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,TXZFURRRBWPHTL-UHFFFAOYSA-N
-F664685C29694778_40DFF2BC481B4ED6_6029_UN,FC1=CC(=CN=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,NTZIYBOLTHIHNY-UHFFFAOYSA-N
-F8CCABEA2F6A36E7_987E0417ABE6BBA1_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3CC(C3)C4=N[N]5C(=C4)CCCC5,CAQPOUXJIPKRAB-UHFFFAOYSA-N
-FBA13206ED076428_605C284459D3B7D8_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C3N=CN(C)C3)=O,NDTRJXZUCRTADZ-UHFFFAOYSA-N
-FCB2418FD21EBDEB_D61076CEBC699F89_6038_UN,N(C1=CC=C(C=C1)[N]2C=NN=C2)C(C(NO)CC3=CC=CC=C3)=O,LOKMEZLRCUIFCF-UHFFFAOYSA-N
-FD3800E139A37941_F40D4F58C4B2F666_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CS4,IQNUNZGVVMTGQF-UHFFFAOYSA-N
-FE7EF3998F51D662_5002540435EA0A05_6035_UN,COCC(OC1=CC=CC(=C1C)OC)C2=CC=CC=C2,CLBNEBAVIAWWKC-UHFFFAOYSA-N
-FFB6FA129EEFCE15_CE8111B70DF66EA6_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CN=C(S3)C4=NC=CC=N4)=O,LOMUUIMOWOGHCQ-UHFFFAOYSA-N
-FFDC39A33D23BDEC_23364625EA1176AE_6026_UN,FC1=CC2=C(C=C1)N=CC(=C2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,VFLOFFMNPDBOMH-UHFFFAOYSA-N
-0004D6CFDEB3957C_8A75FD5704AD4724_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C=C2)C)OC)=O,ORQCRODTHWGFHG-UHFFFAOYSA-N
-0077CA4680BE992D_21E29B82A58FC96E_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NCC3=CON=C3C(C)C,QPSRHJYFOWHJBO-UHFFFAOYSA-N
-00EAEA430AAC1C6B_10F3C8AC9B5DB597_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2CCC3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,VIHFNTVSMSNWGE-UHFFFAOYSA-N
-04E07644391524FB_031659FB97649A7B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(O)C=C3)C(F)(F)F)(=O)=O,MJERITUMINQQGR-UHFFFAOYSA-N
-05E0361513D49ACF_7F537CA52E1DA57B_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(CC)C=C(C=C3)C,MRMKKTSZXWQIPG-UHFFFAOYSA-N
-07768F79B9D4C5F1_09B52F6BE80B190D_2201_UN,CC3OCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,UDBSTXZCDIHSOL-UHFFFAOYSA-N
-089CB11B8847D61E_3703204B8B7AD005_6041_UN,CC(C)C[N]1C=NC(=N1)NC2=C(N(C)C)C=CC(=C2)F,PAVIWGIRYRPPOA-UHFFFAOYSA-N
-09DA09E9DA1B0534_75EDA76C025D19A5_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)C=CC=C3,UTDIYUUXQOPVLH-UHFFFAOYSA-N
-0A5EE69FCF44BFBD_E62248DB71B3E30D_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C=CC(=C3)CO,OWBIUAJDIVXCCW-UHFFFAOYSA-N
-0DC834B0E3BC6765_C42E92BC901A6CB4_6041_UN,C[N]1C=NC(=N1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,SUWQXWBMWTXOOM-UHFFFAOYSA-N
-0F45D9A6BF5C57EF_89508FA61E5751D4_6026_UN,CN1CC2=C(CC1)C(=CC=C2)[S](=O)(=O)N5CCN(C3=NC=CC4=C(Br)C=CC=C34)CC5,NWOLMZOHNCJAAI-UHFFFAOYSA-N
-100F104A0F5A006C_C6213D3DDEDDA5E3_6026_UN,ClC2=C1C=C(SC1=NC=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,BEWWZJHUQTZVBZ-UHFFFAOYSA-N
-11C731AFB240EE02_8E75E159EB538320_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,UIVNGKRQZZPOTP-UHFFFAOYSA-N
-1651BB2FDCA07858_F1129ACE793B47A2_6039_UN,CC(OCC1=CC(=C(N(C)C)C=C1)C)C2=NN=N[N]2C,YKZUIPLDAIPINC-UHFFFAOYSA-N
-16EDB2D0B314DDE8_AABDEB29F7AAF3AF_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CCC(C3=C(C=CC(=C3)C)C)CC4,RFQAXTZGQVKDFT-UHFFFAOYSA-N
-198E463BD5468B5C_8884ABEB46C54DA4_6029_UN,BrC1=CCCN(C1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,IILZEEFOUSKXSP-UHFFFAOYSA-N
-1C47233B822F3814_89415FB5AD71F650_6035_UN,O(C1CC[S](=O)CC1)C3=NC2=C(C(=CC(=C2)C)C)C=C3,ZPKFGHRZVNTDJZ-UHFFFAOYSA-N
-1CC0ECAA1D5564FC_33E54F1303D1E590_6029_UN,OC1CN(CC1)[S](C2=C(N=CC=C2)C3=NC=CC=C3)(=O)=O,QRFXASJWBOGEPC-UHFFFAOYSA-N
-21BEEBC154C56FE2_4E006BBB435D2E50_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,QKNFDBYTRUYSQI-UHFFFAOYSA-N
-22E0249A533FA4B5_C2A58C2A87E1CFFA_6026_UN,FC(F)C1=CN=C(C=C1)[S](=O)(=O)N4CCN(C3=CC2=C(CCC2)C=C3)CC4,SXMZEHSNEKBMPU-UHFFFAOYSA-N
-257C129E40070320_DE6E3C5D016ED769_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N5CCN(C4=CC3=C(CCC3)C=C4)CC5,IMACOIXXEWZMFO-UHFFFAOYSA-N
-2635C9E6EC46299C_D9DEE08B6EE4A8A0_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,OSLROUSYVQLRRM-UHFFFAOYSA-N
-26D7DEA98437E5D5_C3A5A5BD775637E2_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)C=C(C=C2)N3CCCCCC3,ZMVUSONCGVDLSA-UHFFFAOYSA-N
-26D7DEA98437E5D5_E47B875DF36FA58F_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)C=C(C=C2)N3CCCCCC3,ZMVUSONCGVDLSA-UHFFFAOYSA-N
-28A0E3F3328A2591_53962238371D36C6_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C3=CC=C(CC)C=C3)CNCC4,LQGZYMGLZFFFFL-UHFFFAOYSA-N
-29F65E4C4BE96C67_BE9B668F2807F772_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,RMOPQASRZPWYHS-UHFFFAOYSA-N
-2B06F296A6888AA7_13473D16216ECFE6_6041_UN,CC(C)C1=NN=C([NH]1)NC2=CC(=C(N(C)C)C=C2C#N)C,BMKLUPQEEOXMNJ-UHFFFAOYSA-N
-2CAECA9DEA9B6570_C6DD3E935DF05B43_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,MTAAJMGMXYHFOJ-UHFFFAOYSA-N
-2D28E45E14265EE8_61B7E97A448DD8FB_6029_UN,C2CC1=C(C=CC=C1)CN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,YVZCIOMECGPNMW-UHFFFAOYSA-N
-361B2994F523BF48_EAD0CCA3245852F8_6027_UN,BrC1=CN=C(C=C1)C2CCCN2[S](=O)(=O)C4=C3N=CC=CC3=CC=C4,QSQRVUNLZNPBPA-UHFFFAOYSA-N
-361B2994F523BF48_EAD0CCA3245852F8_7015_UN,BrC1=CN=C(C=C1)C2CCCN2[S](=O)(=O)C4=C3N=CC=CC3=CC=C4,QSQRVUNLZNPBPA-UHFFFAOYSA-N
-373934DD1B222793_DF4007B4657EF307_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CC=NC=C4,YJUMJEJFBQUDJL-UHFFFAOYSA-N
-37BCA66A23B18F36_DBD91CD61493FCEE_6004_DP,CC1(C)CCC(=O)C2=C1C=CC(=C2)C3=CC=C(O)C=C3,JKMGDTRLIVUQGR-UHFFFAOYSA-N
-388F3011F744E169_23F31913F2C7E179_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,KNDSMUNCTVSHKZ-UHFFFAOYSA-N
-407231F33E8136AA_BC5615A9006186AF_6027_UN,FC1=CC=C(C=C1)C2C5(CN2[S](=O)(=O)C4=C3N=CC=CC3=CC=C4)CCC5,LEMDTPQKMVWDJW-UHFFFAOYSA-N
-44AB20611377EA6B_29A529502AE4ED17_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4,TWTRIMVQOIDVOM-UHFFFAOYSA-N
-4751394C7F46E81B_50CF71AA4615DA38_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,ZTOIWAQPURNNOY-UHFFFAOYSA-N
-4C497F41A5BF7BA5_5CB3233B045EEFEF_6028_UN,C2CCN(CC1=C(C=CC=C1)CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,YSRRZVILDMLMIJ-UHFFFAOYSA-N
-50A305A7970BCCD5_BFD2071E144AB498_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,CTEVIEADYTYVAL-UHFFFAOYSA-N
-50ACAF87D0F438B8_24966C73F7AF0360_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3ON=C(C(OC)=O)C3)=O,SRVYDEPUUMBSAT-UHFFFAOYSA-N
-522CB700179C4961_A84C559CF2C8AD15_6038_UN,CC1OC(C(C1)NC(C2=N[NH]C(=C2)C3=C[N](C)C=C3)=O)C,HUDKXVCRQLJFTM-UHFFFAOYSA-N
-5271E83BD49D296A_14345A992DE00A1D_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)Cl,KXZJKUJBDZVWDV-UHFFFAOYSA-N
-568F2ED1182826E6_9FF3C5A9FA0A4645_7022_UN,C1(=CC=C(C=C1)CN2C=CC=CC2=O)N[C@H]3[C@H](OC)CC3,MXHIHLMTLHNFKR-HZPDHXFCSA-N
-5C282ED77402DA43_BFE53D836E4B3E31_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C=C2)F)OC)=O,BLJYHLUUFMGOAH-UHFFFAOYSA-N
-5D282DDD27D86D7C_FD3FF51A82EF0B70_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(COC)C=CC=C3,PZNGTPVDZLSLKO-UHFFFAOYSA-N
-60AB3ADDEE645570_23E1E71FC7CF2900_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(C3N=C(N)CC3)=O,SYOJXVFDSHPAOQ-UHFFFAOYSA-N
-60ACB830F1B08F52_423ADDA737D8A361_7015_UN,FC1=CC=C(C=C1)C2C5(CN2[S](=O)(=O)C4=C3C=CN=CC3=CC=C4)CCC5,UMHPDRAXBYIBRI-UHFFFAOYSA-N
-62440F1BABA6159E_20B4CAC3B3BCC1BC_6028_UN,ClC1=C2C(=CC=N1)CN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,CYZJDPFFKJVCBA-ZDUSSCGKSA-N
-65C8B23008B70F6B_E3699ED1584BDE2F_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,VSUXJEIPESMJEK-UHFFFAOYSA-N
-66BDDC77A121B05B_6095542587F6B7C0_6029_UN,C1C=C(CN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CC=CC=C4,DECBAPLGAOBITA-UHFFFAOYSA-N
-6910B39D0873C4F2_8ECA0ACEE27609FA_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4,QGGZUIACRDCPGZ-UHFFFAOYSA-N
-6A34BCC1A5E35B19_6039546CE7C55062_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4,GEMLCIFPGHZVAO-UHFFFAOYSA-N
-6A64B5F1BAD3985D_FD0E9BE5D0BA1685_6041_UN,C[N]1N=NC(=C1NC2CN(C)CC23CC3)C4=CC=CC=C4,AGADANXHBXPWSB-UHFFFAOYSA-N
-7160380FBC9F810A_68B59715611B748D_7013_DP,C[N]1C=CC(=N1)[N]3C2=CC=CC=C2N=C3C4NCCC4C,MMMPGDLWQDDRCV-UHFFFAOYSA-N
-7621EE659394B8FB_EB87D4E43CD99DED_6004_UN,CC1CCC(=O)C2=C1C=CC(=C2)C3=C(CC)C=CC=C3,BEZSVBQRESDSOO-UHFFFAOYSA-N
-782B4FA61B0B0E83_436CCF1BA6397416_6038_DP,OC1=C(C=NC=C1)NC(C3ON=C(C2=C(C)C=CC=C2)C3)=O,DMQKPGIPLQJJDS-UHFFFAOYSA-N
-7860C63F3CB545BD_0952DA17BF6AB0BE_6029_UN,ClC1=CC6=C(C=C1)C(=C2CCN(CC2)[S](C3=CC4=C(N=C3)OCO4)(=O)=O)C5=C(C=CC=N5)CC6,UWAHZWLGTVHWOO-UHFFFAOYSA-N
-7C1A346B2C40F059_41B987DE03CA11BD_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=C(O)C=CC=C3,FAMYUVLADLJZRS-UHFFFAOYSA-N
-7C6F1C28A1759717_EF7D3A795E9C9053_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,OYFNMKACBRUCAX-UHFFFAOYSA-N
-7DE01A04AC25AF6A_45C2D645AA96AC7A_6029_UN,ClC1=CC6=C(C=C1)C(=C2CCN(CC2)[S](C4=CC3=C(OCC[C@H]3O)C=C4)(=O)=O)C5=C(C=CC=N5)CC6,SWFQAPJLLOBZBJ-RUZDIDTESA-N
-7EB23123E041DABC_C94043C1721C7BA6_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,JPLCCCNDYFJLLN-UHFFFAOYSA-N
-7F835724FE33F1EF_F8982518F19A5F9E_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)C4,LTRQWDPBKSDAOH-UHFFFAOYSA-N
-80DA1C62D07C070E_0C6F79CB7EA7CE12_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=CC(=C2F)OC)=O,JLHRFISPTJEYQM-UHFFFAOYSA-N
-80EFCFD4E7F6F61D_6FFC0F4CBBC1A60B_6028_UN,C2CCC1=C(C=CC=C1)CN(C2)[S](C3=NC=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,AGYRJOMUOYCRSO-UHFFFAOYSA-N
-84B3012EC5FCD4B5_51D7E1A99B79F40F_6031_UN,O(C(=O)CCC1=N[NH]N=N1)CC2=C(N(C)C)C=C(C=C2)Br,MYWLKHOPKCXECJ-UHFFFAOYSA-N
-88CF4EEE0944BA6A_66A033097C3362DE_6035_UN,O(C1CC=CC1)C3=C(CC)C=C2C(=CC(OC2=C3)=O)C,MOHYDZJGXSAAME-UHFFFAOYSA-N
-89CE6260E8CA636E_D8D6E771EAF422F7_6029_UN,OC1CN(C1)C2CN(C2)[S](C3=C(N=CC=C3)C4=NC=CC=C4)(=O)=O,PXAPVHIKKSXMHA-UHFFFAOYSA-N
-9BFBF98658F1E38C_DB79B7E1C0DC49F9_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,BDZGZAGDLIZVJI-UHFFFAOYSA-N
-9C46FA3542136AAC_F3B99033C89CF7F4_6041_UN,C1(=CC2=C(C=C1)C3=C(C2=O)C=CC=C3)N[C@@H]4[C@H](OC)COC4,GYFFZDAKSUGJBK-DLBZAZTESA-N
-9C8231A35CFBA1BC_4860CC0D1F12A779_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,JAMHLFFEXPCPFA-UHFFFAOYSA-N
-A17E56F491DBFEE8_DE9B776695A0B7D1_6035_UN,CN3CC(COC2=N[N](C1=C(C=CC(=C1)C)C)C=N2)OC3=O,ATISQGWGCBYSEV-UHFFFAOYSA-N
-A2F8D1B1399D344F_FCDF86FBE05D2F0E_6041_UN,O[S](=O)C1=CC=C(S1)NC3CCN(C2=N[N](C)C=C2)C3=O,QOALPPBBRNRHKI-UHFFFAOYSA-N
-A69058352A2E18D9_F642FFE021D2DABE_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,WKEMNWLBUXGKMV-UHFFFAOYSA-N
-AA6FEB3EF91840DC_72455E4B58F790E4_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CC=C(C#N)C=C3)C4CC4,ONKYQHXPUKWQIH-UHFFFAOYSA-N
-AB7885DC05357DB0_BBF5A3A9B2EE1CDF_2201_UN,CC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)O4,ABYRBKMYBGIUHH-UHFFFAOYSA-N
-AD3B44C0BC9FBB80_BBEAD7885994C1E9_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,SFFVCHINFYQCSQ-UHFFFAOYSA-N
-B1DB6118D6D48EEA_81070592DA9A051F_6041_UN,C[N]1C=NC2=C1C=C(C=C2)NCC3=NN=C(C(C)C)[N]3C,XDYPQESZKHMGOC-UHFFFAOYSA-N
-B5AF1F4513F8DDA0_7E4D245C5B3C60C7_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CCC(C3=CC(=CC(=C3)C)C)CC4,NLCICHJZCVJSDH-UHFFFAOYSA-N
-B621361B4B0E2CB4_2FDDA50AB035452C_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,HOLFISYMNWTNKA-UHFFFAOYSA-N
-BE417DFD757856BA_26957720D53F57C3_6034_UN,O=[N]2=C1N(C=CC1=CC=C2)CC(C)CC3=CC=N[N]3C,VMVUJGMDTPZZJZ-UHFFFAOYSA-N
-BE9013BE9DD5B728_E346ABE9CFEA5633_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N4CC3=CC=CC(=C3CC4(C)C)C,OMQXXRPLCBAANZ-UHFFFAOYSA-N
-C16AA2B46E34BCDE_24A9F9BCB1AE7289_6029_UN,C1C=C(CN1[S](C2=CC(=C(F)C=N2)C#N)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,IWGQETAGJOYDIQ-UHFFFAOYSA-N
-C80C647FE2771738_452F7A0315B764BE_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)C4,XUNNBUMYISDFBA-UHFFFAOYSA-N
-CEE27836CEC20087_A46B634136FCD6ED_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,HQLYETRDESOHKA-UHFFFAOYSA-N
-D096366A738105A9_551E66A6178C0920_6029_UN,C1CC(CCN1[S](C3=C(Cl)C=C2CCOC2=C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,WUGDENFQGSNGOG-UHFFFAOYSA-N
-D33D52CF648093D8_20222EC5ADDA5642_6029_UN,C1CC4=C(N(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C=CC(=C4)C5=CC=CC=C5,NNVPHKDHTRHNCA-UHFFFAOYSA-N
-D5D6CBB62065E408_90AAD9FFBC368CA8_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)CCC(C3=NC=C(Br)C=C3)CC4,NYXPXXGFIDEXMF-UHFFFAOYSA-N
-D5E1EE006358D2F4_D9419C61AA76B900_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N6CCC(=C4C3=C(C=C(Cl)C=C3)CCC5=C4N=CC=C5)CC6,UJCXVJOKVGUDLG-UHFFFAOYSA-N
-D9BD2E06E1B579B1_BAC930D9C3875977_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,COIHDVCJNSHOHV-UHFFFAOYSA-N
-DDAD68C37A03260D_71A25F2B106B25E3_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,HEGUUVYYBBHVQC-UHFFFAOYSA-N
-DDDE9190FB7C8AC3_22C1C57FE9417D0A_6038_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC(=O)C2=C[NH]N=C2,JKXXROHNOICQJZ-UHFFFAOYSA-N
-DF6698D66783F5EE_AB239B77B7D75824_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,LRWQQMMHDPGGDN-UHFFFAOYSA-N
-E2719825330DF4B5_142D5E7C4A584545_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CC4)C5=NN=N[NH]5,GQUVRFFGKRGUDS-UHFFFAOYSA-N
-E2A43885B09E0CEC_7A605E2D84F4CEFC_6029_UN,C1C=C(CN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,ABRWLDKGLHRJMD-UHFFFAOYSA-N
-E612DFB4A9241A98_20141873BA5B547E_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CC=C(C#N)C=C3)C4CC4,VFPBFYCORZZCRG-UHFFFAOYSA-N
-E658B0C6AC9D7A72_5378619694DAC1DC_6035_UN,O(C1CC[S](=O)CC1)C3=NC2=C(C)C=CC=C2C(=C3)C,JJLUBEWNZYPWEC-UHFFFAOYSA-N
-E852457739AAA696_5220E7F0E0C7CD3C_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2CCC3)(=O)=O)C5=C4C=CSC4=CC=N5,FNHGZZLWJSYKJA-UHFFFAOYSA-N
-E89FB8ED7C93987F_4781426366C96E83_2201_UN,CC3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,CTDQZSIFAZZMDV-UHFFFAOYSA-N
-EA36A1A4C428F69C_F86C5B9027BC9ED7_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,FNNWFMZUSQYALS-UHFFFAOYSA-N
-EAEF78EA8596731A_AC9BF37558B435CB_6029_UN,C1CN(CCN1[S](C3=C[N]2C=CN=C(Cl)C2=C3)(=O)=O)C4=NN=CC=C4,YBHZDGHIVBTUBF-UHFFFAOYSA-N
-EB0EA341F99C5D1A_232C04D01B06D3E2_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,DMKRWOOPXQVWBL-INIZCTEOSA-N
-F223E82487F1D9E4_822F7D35FFCECCFE_6031_UN,O(C(=O)CC1=NN=N[NH]1)CC2=C(N(C)C)C=CC=C2Cl,BXHOREATHHXRAG-UHFFFAOYSA-N
-F522D649ECF74164_AC02953751F5241C_6029_UN,C2CN(CC1=C(C=CC=C1)C2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O,FOIRJHLEMBRLJB-UHFFFAOYSA-N
-F55F7205500E27C4_4FC4F6CB73EFC284_6041_UN,C[N]1N=NC(=C1N[C@@H]2CN(C)CCC2)C3=CC=CC=C3,FFZXRZZBTXQHNL-ZDUSSCGKSA-N
-F81ED0622ED33162_1929D65B476644C5_6006_UN,OC2=C(C=C1C(CCC1=C2)=O)C3=C(C(C)(C)C)C=CC=C3,WUSAUCYWLJIIQH-UHFFFAOYSA-N
-F9254F8DE2D94AE3_10A1C9C210078F1F_6004_UN,C2(=C1C(CC1=CC=C2)=O)C3=C(C=CC(=C3)C(C)(C)C)O,PFERMXMGCRLJQK-UHFFFAOYSA-N
-FCCB3959CBA78687_72861193C4BFFEC9_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3=C([S](C)=O)C=CC=C3C,BJWKLZXJQHHKHF-UHFFFAOYSA-N
-FDC0AF7ABD22AD17_DDDC827AE12434D0_6038_DP,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3CNNC(C3)=O)=O,DVETVYUMEGSVKC-UHFFFAOYSA-N
-FED29E4FB2946349_BF01FCF151B060D9_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O)C=CC=C5,NBRKMUZBDVECBT-UHFFFAOYSA-N
-FF3090E3724B97D0_FCD25944D53ACE4E_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,FXEWKUVUAMVLAX-UHFFFAOYSA-N
-FF752EF7EA44CAFB_F1F1012CB8A87FB3_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)F,HPOZFLNXHJRBQR-UHFFFAOYSA-N
-FF93B1FCBC614B5B_19D4CC835FCCAD26_6004_UN,CN1CC[N]2N=CC(=C12)C3=CC=CC(=C3)[N]4N=C(C)C=C4C,HWKXGPZDRXNVHP-UHFFFAOYSA-N
-01377E5448199E4F_5E9B51E83BB7BB25_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C(C)C)C=CC=C3,UTSLGDCZFGIXDT-UHFFFAOYSA-N
-029D8646DAA31C44_B62BBFBBC1DD77A5_6041_UN,CC(C)C1=NC=C([N]1C)NC2C(C)COC3=C2C=CC=C3,PBVTXEHBZBJLRR-UHFFFAOYSA-N
-0363A960B8538E41_174D395DB84D5875_6041_UN,CC1=C(N=C(N=N1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,IXJAFEYPDJCPRR-NOZJJQNGSA-N
-04579D4D72515122_D242BC1D9B68A271_6029_UN,C1=CC(=N[N]1[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,UATDMCHPJIBYIT-UHFFFAOYSA-N
-06F7B06D5B8090CC_D2E9CFFAC5F6237A_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CSC=C4,XIENTZHXKOJCHN-UHFFFAOYSA-N
-08149F8798AFD180_8E06625C402F001B_6041_UN,C[N]1C=NC2=C1C=NC(=C2)NC3C(C)COC4=C3C=CC=C4,OTFSDDKCKNDATF-UHFFFAOYSA-N
-0A11BB28AF1B7D3C_F1389F98BBFDF8FA_2201_UN,CC3C(C4=C(C)C2=C(C=C1OCOC1=C2)N=C34)C5=CC=CC=C5,UUNZKAHIJXWOMV-UHFFFAOYSA-N
-0A643C10584CCBFD_F41E50046E1DB5F8_6006_UN,C1(=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCCC4,LIAPHRWKSZWLSF-UHFFFAOYSA-N
-0B94A457DDB58B08_3705FE2BC2C25946_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(N(C)CCC3)C=CC=C4,XKBGNRMCAMBFCU-UHFFFAOYSA-N
-0D46C39CBD01B083_34A0CA3F6FDC4CD2_6038_UN,CN(C)C1=CC(=CC(=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,JCXMSMVFFGLTHK-UHFFFAOYSA-N
-0F5EB198306A3BCA_096171133BE207E3_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC(=C(C(C)C)C=C3)C)(=O)=O)C=CC=C4,GASKATJLZAQIKD-UHFFFAOYSA-N
-11B6F4236C65D41B_60699CDF2AAB2073_2201_DP,CC3NCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VDOVSOWIEJZFPJ-UHFFFAOYSA-N
-1245F499DE735302_C559DE3165A6DB46_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC4C3=C(C(=C(C)C=C3)C)OC4,YVBVMSUOTYZFPH-UHFFFAOYSA-N
-1575D47C0A424B1D_291E24A0B601B557_6041_UN,CN(C)C1=NC=NC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,MHJIKIGAUWHUPH-ZDUSSCGKSA-N
-18CF732CF675F52E_5A3E5BF41B67A76A_6041_UN,C2(=C1C3=C(COC1=CC=C2)C=CC=C3)NC(C)C4=NN=C(C)[NH]4,WWKARCHVCKXGTL-UHFFFAOYSA-N
-1944280402EA1262_F23483D8AB4117C3_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C([N]3N=CN=C3N=C4C)C)=O,ZCAFFWBBXDTEQX-UHFFFAOYSA-N
-1D2AB377E15C9DF6_F3222C7AD22B1840_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O)C=CC=C4,ZPWGOZMPLRWCEH-UHFFFAOYSA-N
-1DCECAD54FC4119E_63210FDE86D496AB_6028_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=CC(=C3C=CC=CC3=N4)C)(=O)=O)C=CC=C5,WOECLUNJPHVPAF-UHFFFAOYSA-N
-1F8AF333644C9AF8_9D0ADB0B7A9ABF04_6029_UN,C1CC(CCN1[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CC=NC=C4,NJWXDBUTJJZSJT-UHFFFAOYSA-N
-1FD5A1FE3811B24A_39C4E4FC5B9A5936_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C)C=C3)F)(=O)=O)C=CC=C4,JOFRDIDRMMQKTI-UHFFFAOYSA-N
-1FD5A1FE3811B24A_53FF6055089BE2B2_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C)C=C3)F)(=O)=O)C=CC=C4,JOFRDIDRMMQKTI-UHFFFAOYSA-N
-20C459B3F188759D_A42A2D336E40E14A_6026_UN,ClC1=CC5=C(C(=C1)[S](=O)(=O)N2CC(C2)C3=N[N]4C(=C3)CCCC4)N=CC=C5,BQXNGOYCYOVKKQ-UHFFFAOYSA-N
-20C4D8B89AB67D50_34B2657483119C7F_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C3=C(OCC2F)C=CC=C3,NPWDJTNPHYINJO-UHFFFAOYSA-N
-21302690F9170494_EE60175B4E5B541F_6006_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)C5(O)CCC5,OQAOILVXPZRDCK-UHFFFAOYSA-N
-2269279AA8F4C6A2_4B105B2A2D0D4A0D_6041_UN,CC1=CC3=C(C(=C1)NC2CCC(C[S](C)(=O)=O)CC2)N=CC=C3,CZDGPOBCANMWIJ-UHFFFAOYSA-N
-2276042B57CDFF0F_88B8C5B2FDFB81D1_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)=O)CCC3)C,ZHTVJPOLGKJKPK-UHFFFAOYSA-N
-24F1D688F6B1AC2E_E61EB51CA99D7B8E_6028_UN,C1CC(CCN1[S](C2=CC=CC(=C2Cl)C)(=O)=O)C3=CSC=C3,SRPGCMLNBTZOEN-UHFFFAOYSA-N
-252B0F24FE0CCDAB_5271D90DCB8C8975_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=CC(=C3N=CC=CC3=C4)C)(=O)=O)C=CC=C5,CXJPKYMJCDLDMA-UHFFFAOYSA-N
-258964EE78D84CDB_572D78A687E525BE_6041_UN,CC2=C(N=C1C=CC=CC1=N2)N[C@H]3CCOC4=C3C=C(C)C=C4C,JTFYDCXACIEDAZ-INIZCTEOSA-N
-27ED1CB1425DD2DA_E5C517141AE5B4E7_6041_UN,CC1=NC4=C(C(=N1)NC(C)CC2=C[N](C)C3=C2C=CC=C3)C=N[N]4C,CNUOLVJDMPRPQT-UHFFFAOYSA-N
-28EE5A0AB0A35EFF_C69D3DC76055C94E_6006_UN,C1(=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCCC4,HVMKXMHCGCNNHK-UHFFFAOYSA-N
-2978EF0D707C973E_96DC0FBB67DD1583_6029_UN,C1C5=C(C2(C1)CN(CCC2)[S](C4=C3C=CC(=CC3=CC(=N4)C)Cl)(=O)=O)C=CC=C5,UDCUUDLKZPMNKL-UHFFFAOYSA-N
-2A65F5B892B46A7B_F900B96C7777A062_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(OCCC2)C=CC(=C3)F,NLLUTWWEBIMSKS-UHFFFAOYSA-N
-2D01A4C65272E530_1D884634A428AD3C_6038_UN,CO[C@@H]1CN(C)C[C@H]1NC(=O)C[N]2N=NN=C2C3=CC=CC=C3,RPUVOQXFQKRUEE-CHWSQXEVSA-N
-2E8F6C65F95383D2_834CBADDDA12E21E_6026_UN,FC1=C(C(=CC=C1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,BGCIYDFVSMVSHA-UHFFFAOYSA-N
-2EBEBFC446714A72_1EDCD2580CFB7C4C_2201_UN,CC(C)CC3CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VCEKCPMQMRKDSA-UHFFFAOYSA-N
-2F3380EBD5944CB4_326817C57A748A0E_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O)C4=NC=CC=C4,HHQNLPFVCPPPJR-UHFFFAOYSA-N
-2F3A82295A457423_BB50E972D62F7251_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@H](C)C3=CN=CC=C3,QLUVBCBSHZQJAP-OAHLLOKOSA-N
-33C339559F90BF47_4337577C11821E01_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N(C2=CC=C(C)C=C2)C3CCC3,KTYDDFSTGLQUFI-UHFFFAOYSA-N
-33E3BB9ABCF575F8_BF8B7EA9C5FB13DA_6041_UN,CC(C)C1=NC(=NC(=N1)NC3C2=C(C(=C(C)C=C2)C)OC3)N(C)C,OZQZTOKRCPFQHF-UHFFFAOYSA-N
-349703AE9B6FC2D4_26621D8D4E26B7C9_2201_UN,CC1C(C2=C(C)C3=C(N=C12)SC4=C3CCC4)C5=CC=CC=C5,OFSFSMMHRDVGSH-UHFFFAOYSA-N
-35497766E1667B37_598AA3062F053273_6038_UN,O(C1=C(C=CC=C1)[N]2C=NN=N2)C(C3(C(N(C)C)=O)CC3)=O,JEHOAFASJIIZJN-UHFFFAOYSA-N
-35A85E5F774B4123_9AFA0D446C0FFFE8_6006_UN,C1(=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCC4,SVGUPURTZJTENG-UHFFFAOYSA-N
-37C53019BF8A3200_06E1D1F5326CFB66_6041_UN,CC1=NN=C([N]1C)NC3C2=CC=CC(=C2OCC3)CC,JRSUBRBJEIEVQB-UHFFFAOYSA-N
-38012AFA55830EE7_D3298CFFBD323866_6041_UN,C[N]1C=NC2=C1C=NC(=C2)N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,VHXZAJWDNOOAGT-DGCLKSJQSA-N
-3900E0F412287CE2_DF751A5339A0A1C9_7019_UN,C(C1COC2=C1C=CC=C2)=CC3=C(C(C)C)C=N[N]3C,FMUANGCWBBFTTD-UHFFFAOYSA-N
-3B9089070C4C0BFF_446435267B8447D0_7015_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=NC=CC=C3,WLYNOFGLFVKZPI-UHFFFAOYSA-N
-3BE3417A6998957A_40836FB24AB12C28_2201_UN,CC(C)CC3CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,RYDAGKJIJDSLOK-UHFFFAOYSA-N
-3C4A9D06514FC254_01D5EF2C81BACFB2_6041_UN,CC1=CC2=C(C=C1)N=CC=C2NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,ILJYSJHTMAAFNT-UHFFFAOYSA-N
-3F916EAF5378076C_5BA61553BD97AA85_6041_UN,CC1=NC(=C(C(=C1)C)NC2COC3=C2C=C(C)C=C3)C,UFQJDKSIUBGNKM-UHFFFAOYSA-N
-3FAD5E5D14CF9D5E_D591F83DA4721F20_6041_UN,CC1=CC2=C(C=C1)N=CC=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,SRCBRHUQFHMQHA-UHFFFAOYSA-N
-4034D85CEFF0EE66_E8A69AC0B1277D7F_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4C(OCCC4)=O,YGZZBAZLHJIELI-UHFFFAOYSA-N
-429FF14579928824_2BF1C4A0BE44E913_6029_UN,CC1C4=C(CCN(C1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C=CC(=C4)F,GPAGEFMUVYXBEX-UHFFFAOYSA-N
-42C0E64B799BB8A4_C80D3AE563B882D4_6041_UN,CC1=N[N](C(=C1)NC2CC(C)(C)OC3=C2C=CC=C3)C,DEULAEBRCMGVJT-UHFFFAOYSA-N
-43EAC63075865951_D64FC7DD6B0F9F15_6029_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=C(CC)C=CN=C3Cl)(=O)=O)C=CC=C4,HXOHJZGSYQEVIK-UHFFFAOYSA-N
-44719D841AFAA746_A0AE236F6C5D5455_2201_UN,CC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4C,OWRUMAABJANSJS-UHFFFAOYSA-N
-44976579C7C04246_8FCBE0682C18F397_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=CC=NC=C3,ZGTOAHCFWDLOAU-UHFFFAOYSA-N
-449DA948487FBC0E_93E5A27279435197_6038_UN,CC3=C(OC(C2=CC=C([N]1N=C(C)N=C1C)C=C2)=O)C(=O)CC3,DSSDUDPTGRXLTO-UHFFFAOYSA-N
-4B5999F232E89FD8_B7FFA0CF68CDB95D_6006_UN,C1(=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCC4,LHEYIBSOIOXCEK-UHFFFAOYSA-N
-4BB3A3649B94CAE8_530EE0BF5DDB8BF0_6034_UN,ClC1=CC=C(C=C1)C2=CN(C(=N2)C3NCCC3)C4=C(C)COC4=O,XNJIJRTWOAZCJG-UHFFFAOYSA-N
-4BFAE470A54E9150_1410D1765C3365E0_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=NC=CC=C4,CRDRPWYTSFKEJQ-UHFFFAOYSA-N
-4C579F2BD931EF34_862A3220E8DC3795_6041_UN,CCC1=C(C2=C(O1)C=CC=C2)NC3=C([N](N=C3C)C)C,OFLGJDREOKMWAE-UHFFFAOYSA-N
-4C896240CFBE2884_79465EACC69D0DA4_6006_UN,CC1=NC4=C(C(=C1)C2=CC(=CC=C2)OC3CCCC3)C=CC=C4[S](=O)(=O)Cl,SCTXVQNQWGGLEK-UHFFFAOYSA-N
-4D163396FFB1D10B_B54B15DB5056631A_6028_UN,C1CN(CCN1[S](C2=NC=CN=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,XZTAODHQPCXUSZ-UHFFFAOYSA-N
-506A30E5D550CC50_2851272B7DFFE418_6029_UN,C1CC(=CCN1[S](C2=CC(=CC=C2)[N+]#[C-])(=O)=O)C3=NC=CS3,SZPJJYHUGWSVAK-UHFFFAOYSA-N
-5098797591D5C08F_57CE4CCC7726E926_6041_UN,C[N]1C=CN=C1NC(C2=NC3=C([N]2C(C)C)C=CC=C3)C,JUFNQEJSPDPXBP-UHFFFAOYSA-N
-538AAD654C06DA2A_3AA7AE67C04D0101_6006_UN,CC1=NC4=C(C(=C1)C2=CC(=CC=C2)OC3CCCCC3)C=CC=C4[S](=O)(=O)Cl,IKFCYMZBHIHEEC-UHFFFAOYSA-N
-5690343AC811B26F_3D4E809CFFAECB0C_6041_UN,CN(C)C1=NC=NC(=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,RQUKOAPRLJPMIM-UHFFFAOYSA-N
-582290D123E565E8_6F0DA6F111099874_6041_UN,C1(=CC=C(C=C1)C2CCCC(=O)C2)NC3=C(CC)C=CC4=C3C=CC=N4,YDRNRGMHIRZPBZ-UHFFFAOYSA-N
-588875B4A9771D8B_F4B9842356E278C7_6041_UN,CC1=NC(=NC(=C1)NC(C)C2C(C3=C(O2)C=CC=C3)C)C,VYABBBXLOBKICK-UHFFFAOYSA-N
-5BE8BCC23DC67410_961F17A1F71BFF95_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=CN=CC=C3,KTBPXNHECZYFRC-UHFFFAOYSA-N
-5C284E847DD72ADC_F5EC81D250BC54AB_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3CC(N(C3)C4=CC=CC=C4)=O,CGFZGYXNJHDMJC-UHFFFAOYSA-N
-5E146DDDFFE77F96_DBCD5119BCEEADBE_6041_UN,C[N]1N=NN=C1N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,OYFNTUUHUIQSKK-LBPRGKRZSA-N
-5E782590B935A177_191E9B81DCA39569_6006_UN,O=[N](=O)C2=C(N=C1C=CC=CC1=C2)C3=CC=C(C=C3)C4(O)CCC4,BJSJGWPFRAZUCD-UHFFFAOYSA-N
-60751ABCDDDEC161_F0ED5D58FBBDA037_6005_UN,O=[N](=O)C2=C1N=CC(=CC1=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,IEGQBGTWPCFYMQ-UHFFFAOYSA-N
-6923D3939F6D01BC_29BA62864F9D243B_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC(=C(N(C)C)C=C3)F)C,PHWZBEKMTUTYRC-UHFFFAOYSA-N
-695B554115D5B0DB_CB958F459B00B6D8_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O)C,GKFCMFPZPKLDNR-UHFFFAOYSA-N
-6AE6077295804999_2356BEA977B75F36_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CC=CC=C3,LMTGRFFNBUTDEZ-UHFFFAOYSA-N
-6D37105B29592524_49FAC4374E7B1E2A_6027_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=CC=NC=C3,GEPZYJQJYKAWHU-UHFFFAOYSA-N
-6D37105B29592524_49FAC4374E7B1E2A_7015_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=CC=NC=C3,GEPZYJQJYKAWHU-UHFFFAOYSA-N
-6F01559A68F6B45B_F739A69CBE91F30C_6041_UN,CC1=C(C=C[N](=C1)=O)NC2C3=C(OCC2OC)C=CC=C3,SYTYKLUNBVEXTC-UHFFFAOYSA-N
-6FD99F00D3615679_C748343F815C3690_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]3[C@H](OC)COCC3,QMHMRPMWMPVEES-CHWSQXEVSA-N
-6FEF6C8DC4FA33F5_17FDFB6717D3F4B1_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C(C)COC3=C2C=CC=C3,ALFUKFRHIRSPDX-UHFFFAOYSA-N
-70136DDA90837A83_1BE81F68F008675D_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC(=C(N(C)C)C=C3)C)C,NQMBUBMVNFCWGW-UHFFFAOYSA-N
-7174215B3156D588_D35A62DA1F616C7F_2201_UN,CC(C)CC3COC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,AYNILGUDFSZTGK-UHFFFAOYSA-N
-72D61EF232C8FCC5_C51769E55D5DFB6A_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC3CCC(OC)(C)CC3,QESUOPYGCHMHCQ-UHFFFAOYSA-N
-7385737CCC0BE3E9_C15BBCE954839CED_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(CC2)C=CC=C3)C,KDPHTUIOPFYGGA-UHFFFAOYSA-N
-73CCF654A9AC6280_08B60688DE8EB787_6006_UN,CC2=C1C=CC=CC1=NC(=C2)C3=CC(=CC=C3)C4(O)CCC4,HVLYPFRVVASIFS-UHFFFAOYSA-N
-7403B8EF7133F4A2_B226CC9CE05236B8_6005_UN,O=[N](=O)C2=C1N=CC(=CC1=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,SBLRYJOQLVUJAR-UHFFFAOYSA-N
-75C772E641DB813A_52C9A60B6431CB35_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C=CC(=C3)C)Br,HAKXHYGNANEEGW-UHFFFAOYSA-N
-761949B4F82D4A7A_DEC610F5D4483E02_6041_UN,CN(C)C1=NC=NC(=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3,WMAJVBWXRHJLDS-DGCLKSJQSA-N
-76222D474863290D_EB0451183CC04FD8_6041_UN,CC(C)C1=NC=C([N]1C)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3,MHGVAEWYVKGLTG-TZMCWYRMSA-N
-76A12622EE022BFE_A39BE6A0F9541A07_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=CN=CC=C3,YJYGIKVJHNZHTH-UHFFFAOYSA-N
-7707D6856909511A_5C88429AAEF4CA27_6038_UN,CC(OC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[N]3C,TVCPLMYEJYSGTR-UHFFFAOYSA-N
-7A93275873ABE070_DCE8926F9D630062_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CN(C)C)[NH]2)=O,FLTKFGXDATUJLL-JTQLQIEISA-N
-7A9B2A74AFDA132C_F2A8585368F586AA_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,JWCADJFGEMLYNM-UHFFFAOYSA-N
-7BF20337EC8B443F_0824C3A4CE057DB7_6006_UN,CC1=NC4=C(C(=C1)C2=CC=C(C=C2)OC3CCCCC3)C=CC=C4[S](=O)(=O)Cl,MMUAMUXKVBSCCQ-UHFFFAOYSA-N
-7D013827DF511E30_95EB869226553A63_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=C(OC)C=C3)C(F)F)(=O)=O,QOBFMRSCOUZPMC-UHFFFAOYSA-N
-7E32DA23A24C3708_5B734337E5DB2130_6041_UN,CC1=NC(=NC(=C1)NC[C@@H]2OC3=C([C@@H]2C)C=CC=C3)C,HWYGKWBZTXPKTD-NHYWBVRUSA-N
-7E9EB617D06E02AE_E756E4F442A71DED_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=NC=CC=N3,RXZUSBNGQLOZJX-UHFFFAOYSA-N
-7ECE4BEAFADC780D_413480F0C3FD0C97_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2F)C)(=O)=O)C3=CSC=C3,JFTRNLBYAXOIOI-UHFFFAOYSA-N
-7F570433FB4ED704_D522B8C429D16B83_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H](C3CCC3)C4=CN=CC=C4,JIJLYSQBJIVGBH-GOSISDBHSA-N
-7F8FEF02458949AA_3E934653DFFABBF2_6006_UN,C2(=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)S2)C3=CC=C(C=C3)CN4CCN(CC4)C5CC5,WQWDUUDDZXHZNL-UHFFFAOYSA-N
-808B7EB04C63583D_B256641AC8A3C9A2_6041_UN,CC1=CC3=C(C(=C1)N[C@H]2CC[C@@H]([S](C)(=O)=O)CC2)N=CC=C3,HPSGYDCQVKRJTI-GASCZTMLSA-N
-8374762AAF713796_85A1C1B5E3FFF3FE_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C(C)OC3=C2C=CC=C3,DRNKDGBDOSBKAA-UHFFFAOYSA-N
-83B6369B65AF1A32_DA6DCF776B13C498_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O)C=CC=C4,WSFLOUXEZGKBRK-UHFFFAOYSA-N
-864295FE71ED84AD_107A1558CD1E803E_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=CSC=C4,WFYOAIBWAKNUOA-UHFFFAOYSA-N
-86BAC40A6CB11652_0E05A0F1BA21A9E9_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4=C(C3(C)CC3)C=CC=C4,RAKWTGIDRUPTCZ-UHFFFAOYSA-N
-871CE855EE680912_BC3EC7483517F14F_6004_UN,C1(=CC2=C(C=C1)CCCC2=O)C3=C(C=CC(=C3)C(C)C)O,HBVRRUPPJABHDV-UHFFFAOYSA-N
-876F30AF177B7D63_44573B3B79F522A8_7015_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O)C=CC=C4,NGUGTUBKAJHHCG-UHFFFAOYSA-N
-87CF07BAD26D1235_21E22DE9174AB357_6041_UN,CC1=NC(=NC(=C1)NC2C4=C(OC3(C2)CCC3)C=CC=C4)C,GIFJKXHFSHRRCP-UHFFFAOYSA-N
-89560585CE0088A4_81E4386D9742BFC5_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(SCC2)C=CC=C3,SKKZRKYWPYQOJR-UHFFFAOYSA-N
-8998CE44160BF4C3_021074CC261C7401_2201_UN,CC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C4,MSIJIYXHPLIKBN-UHFFFAOYSA-N
-8D8818BFE837647E_0D35C949A4778E9D_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)C)C,ZDXSMLWHTFCDAR-UHFFFAOYSA-N
-8F0E6C91BDFB017B_E6ECE82BADE84274_6035_UN,O(C1CC[S](=O)CC1)C3=N[N](C2=C(C=CC(=C2)C)C)C=N3,ZBVBCDPKYDFMHY-UHFFFAOYSA-N
-917918C65FEEF82F_3E8ECF7B10564F5B_6041_UN,C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)N[C@H]4[C@H](OC)CC4,FEJDGWLUJXDOJR-HZPDHXFCSA-N
-92580F58C51C2BD5_FF517B7C6F21DF08_6041_UN,C2(=C1N=CC=CC1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,WEIOARIDEFSDJQ-OKILXGFUSA-N
-9291F8C36A9CC4C0_7DE685134ED61BC1_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3CC(N(C3)C4=C(C=CC=C4)F)=O,WZNKGAMZURPPCB-UHFFFAOYSA-N
-93B91ECE5D35C488_0A7690BA18C7DD4E_6006_UN,CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,BJASKDRCTHFSOY-UHFFFAOYSA-N
-964385EDE47285E0_86696FFDCF585C5A_6003_UN,O(C[C@@H]1CNC(=O)O1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,RJJVPBWGDPMVGB-NSHDSACASA-N
-98058A87027304C4_9A8F4F655F35BE36_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)N[C@H](C3=C(SC)C=CC=C3)C,OWWYXDDCCQJBEX-NSHDSACASA-N
-98BBD377CB7C0C0A_9B1187FA26632152_2201_UN,CC4OC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4C,NQGHPQICDLZZTR-UHFFFAOYSA-N
-995CD45F06C983F6_DB7BD27684E2EB38_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O)C=CC=C4,LQKYYJUZMUKQTM-UHFFFAOYSA-N
-9D0175CD54337023_30F3C1BA8E8F68C4_6029_UN,C1C=C(CN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=NC=CC=C3,PNZSJWSBSOLDFT-UHFFFAOYSA-N
-A0E7CCAAC6EA1F81_6AE58705F8D3B401_6026_UN,FC1=C(C(=CC=C1)F)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,ZYMYIBCDMIVPJT-UHFFFAOYSA-N
-A16932B74925F491_8547BF20D3B5C264_6026_UN,FC1=C(C(=CC=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,AIDUOZOLUXEMME-UHFFFAOYSA-N
-A22955BFA1671A17_C54F5BAC9479ECF4_2201_UN,CC(C)CC(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C,RELIVNLCRIJUFF-UHFFFAOYSA-N
-A27AB679BCD76A8D_CE9D49491EF43B92_6027_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3C)C)(=O)=O)C=CC=C4,WDRGSTMIOGCVFX-UHFFFAOYSA-N
-A27AB679BCD76A8D_CE9D49491EF43B92_7015_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3C)C)(=O)=O)C=CC=C4,WDRGSTMIOGCVFX-UHFFFAOYSA-N
-A2E8CB4CB9E40310_385E1699849D833D_6041_UN,CC4=NC1=C(C=CN=C1NC3C2=C(C(=C(C)C=C2)C)OC3)[N]4C,NLZHXZQJYXLTAY-UHFFFAOYSA-N
-A35E8A56CEF637C8_4D276281A0A123BF_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=CC(=C3)C)F)(=O)=O)C=CC=C4,FEHLIYGESILZBA-UHFFFAOYSA-N
-A409860BD2AE7407_F048422893C15B96_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,SUHANBDOSGOCDF-FBLFFUNLSA-N
-A85723F61CEB6EA6_18A881D2699F323E_6041_UN,C[N]1N=NC(=C1N[C@H]2CN(C(C)=O)CC2)C3=CC=CC=C3,AGSRDDIXFWXXCH-CYBMUJFWSA-N
-A88A997CB5CCE19A_9E009E5D7B7CC46F_2201_DP,CC3NCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,MSKFBMJAELVALP-UHFFFAOYSA-N
-A98464D59004C32E_3431E1686D15D018_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C4=CSC=C4,KTBMPEAVAFYSDK-UHFFFAOYSA-N
-AAC56920C05DA1AF_E05D2E307C664CD1_6041_UN,CC1=NC(=C(C(=C1)C)NC2C(C)COC3=C2C=CC=C3)C,LMCNEMBZHUDANP-UHFFFAOYSA-N
-AB700EA7E916AC2D_393BE3A2BDD5B13B_6041_UN,CC1=NC(=C(C)[NH]1)NC(C)C2C(C3=C(O2)C=CC=C3)C,NXOXQYLNUXRKFH-UHFFFAOYSA-N
-AB7FDC3F1F26E471_FA75CED09921DAA8_6006_UN,C2(=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)S2)C3=C(C=CC(=C3)C)OC4CCCC4,OZVJZMMGNQELPW-UHFFFAOYSA-N
-ABFF96ABA0492E08_40CEEA1647407715_2201_UN,CCC(C)CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C,WAOQJODQRKRWAG-UHFFFAOYSA-N
-AC0AF74113E6D386_5B9068032BA460C7_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NC4CCC([P](C)(=O)C)C4,PBLVBXCCUIHYMG-UHFFFAOYSA-N
-AC8C42FEF84BF0C2_238691ADC7424E61_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,FNONGECCSFQJFL-UHFFFAOYSA-N
-AD82022BD1AC089A_4C03B62622AD55B2_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(=C(C=C3)C)SC,QHZXPAVZNLSVKF-UHFFFAOYSA-N
-AFC48CE9DFDA5973_7BAE9CB8F2FFF4F8_2201_DP,CC3CCNCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,FKJKIEUQESEJJW-UHFFFAOYSA-N
-B0648F7EFC1D7A0A_C2311B0C83D4C616_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,HJSOSOOGVNAABB-UHFFFAOYSA-N
-B1070A277F31E853_EED20BC959F57E20_6027_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,WJUNILRZQYDMAV-UHFFFAOYSA-N
-B16F1064F3684751_CBC01C1A91F2A08E_6041_UN,O=[N]1=CC(=NC=C1)NC2=CC=CC3=C2CN(C(C)C)C3,RTCPRAXCLNYIJH-UHFFFAOYSA-N
-B1BA8FA1F358B49C_FC19F20D684C1FFE_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(CCN(CC)CC3)C#N,PFUDDOGOMCYCBB-UHFFFAOYSA-N
-B39598D2B998ECB8_D5B7994C81A72954_2267_UN,CC2=N[N](CC#CC1=CC=C([C@H](C)N)C=C1)C(=C2C)C,XXJITULFOWREAV-ZDUSSCGKSA-N
-B440808F7F3EFDFF_C856E35B68D247F1_6038_UN,N(C1=CC(=CC=C1)C2=C[NH]N=N2)C(C4=CC3=C(N(C)C)C=CC=C3S4)=O,NKTJADZDUDTACM-UHFFFAOYSA-N
-B647CB765F7AACE4_B4D6BF49C0319F59_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,JSKGMXZMPMQSSU-DGCLKSJQSA-N
-B66E1C1D421C6159_4A1AB14231555B4A_6026_UN,ClC1=C(C(=CC=C1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,OYZNBVQTSYMZCY-UHFFFAOYSA-N
-B69A338B0FE9FE80_63FFD7073991B3D7_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC=C(C(C)C)C=C3,AZUJHDAPVBKQOR-UHFFFAOYSA-N
-BA395CFBC7E6ED6F_973B1B1809E63FF3_6006_UN,CC2=C(N=C1C=CC=CC1=C2)C3=CC(=CC=C3)C4(O)CCC4,NQVDKZOUJPFKNO-UHFFFAOYSA-N
-BB7585A72645964C_4BB5F7C283604867_6041_DP,OC(=O)C1=CN=C(C=C1)NC2C(C3=C(OC2)C=CC=C3)=O,XHGJEUGAJGYZTM-UHFFFAOYSA-N
-BC5B98506C331F29_264D904B24941EDD_6041_UN,CC2=C1C=CC=CC1=NC(=N2)NC4C3=C(C(=C(C)C=C3)C)OC4,ZIAAVGCUKJEFOG-UHFFFAOYSA-N
-BE2398F972CDE6FA_830341DED9574C2C_6006_UN,CC2=C1C=CC=CC1=NC(=C2C#N)C3=CC(=CC=C3)C4(O)CCC4,JKZRIGLNCNWYGL-UHFFFAOYSA-N
-BE9994AC788673A4_5FDF8012225BCBFD_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NOC(C)(C)C3)=O,JBMABACLFKINRX-UHFFFAOYSA-N
-BF2E6C35E874F8FF_586B508A90742CD1_2201_UN,C12=NC4=C(C(=C1OCC2C3=CC=CC=C3)C)C(=N[N]4C)C,XOMVQAXCXZSLFK-UHFFFAOYSA-N
-BFEEE141BD796787_B15562E3DA769F88_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC(=CC=C3)C4CC4,KRBMHIKHIUUWQM-UHFFFAOYSA-N
-C06DA57A15597AFD_4019AC9F1C019134_6029_UN,OC1(CCN(CCC1)[S](C2=C(C)C=C(C=N2)Cl)(=O)=O)C3=CC=CC=C3,DBQNKGNSKGYKOW-UHFFFAOYSA-N
-C096F7EE265D9393_DCFC40D83598508E_6038_UN,COC1=CC(=C(C=C1)OC(=O)C2=CC=CN3C2=NCC3)[S](=O)(=O)Cl,KXEVHUXDDWSXBC-UHFFFAOYSA-N
-C2A7AABDE55940B0_02E09C854918834F_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC(=CC=C3)N4C(CC4)=O,JXAYGDJEMGIBIO-UHFFFAOYSA-N
-C47CC4506A600839_BA4F116922571605_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=CC=NC=C3,JCQADUPZAFSGFK-UHFFFAOYSA-N
-C63DA7E7B3C77CE6_4FA9F0ED4A4DDC3A_6041_UN,CC1=CC3=C(C(=C1)NCC2CCC([S](C)(=O)=O)CC2)N=CC=C3,NJQFTQQMVGBIMC-UHFFFAOYSA-N
-C6BA2001EAB9B244_5443F327C25F4B11_6006_UN,CC1=NC4=C(C(=C1)C2=CC=C(C=C2)OC3CCCC3)C=CC=C4[S](=O)(=O)Cl,IMVAHLHFLBANMO-UHFFFAOYSA-N
-C76BFD9DF40BF25F_2477856935F170EA_6041_UN,CC(C)C1=NC=C([N]1C)NC2C(C)OC3=C2C=CC=C3,QSMLQKCMNOSQOC-UHFFFAOYSA-N
-C9028AD75895F0D5_CD15C36EE5EFCC04_6041_UN,C1(=NN=C2COCC[N]12)NC(C3=CC=N[N]3C)C4=CC=CC=C4,ZOXMLQSRRGRJCC-UHFFFAOYSA-N
-C9C902DD54608E20_C1C8D01AC2B8DAA3_6006_UN,CC2=C1C=CC=CC1=NC(=C2C#N)C3=CC=C(C=C3)C4(O)CCC4,GINXBTHGCVKFFK-UHFFFAOYSA-N
-CC0AD561B04CC7EB_2B040511B36506FF_6039_UN,CC(C)(OCCCCC(C)(C)C#N)C2=NC1=C(C=CC=C1)S2,SMDLFQZDBQPPNJ-UHFFFAOYSA-N
-CC1B9323C9FD2CFD_73CD2952F8E2F14A_6034_UN,FC1=CC(=CC=C1)C2=CN(C(=N2)C3NCCC3)C4=C(C)COC4=O,ZAAPXVVWWNEMTO-UHFFFAOYSA-N
-CD42CA0E979A2E95_019FF70E61BCB837_6006_UN,C2(=C1C=CC=C(C1=NC=C2)[S](=O)(=O)Cl)C3=C(C=CC(=C3)C)OC4CCCC4,UAJVPSXGEINQBF-UHFFFAOYSA-N
-CDE2317B0F7CEA63_0AF411D24BF882CD_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,OGJRKNUVZQZXQZ-UHFFFAOYSA-N
-CE078D532CF6F95D_1F4FC2AB3FE53009_6038_UN,CC(OC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=NN=N[N]3C,PGTYAABXEYQKNA-UHFFFAOYSA-N
-CEAC253343EAF50A_C4CDF398E0DD2164_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O)C=CC=C4,JTGSEJNVRMEIBP-UHFFFAOYSA-N
-D0175344ABFDB04A_8A6039996B05C809_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C4=C(OC3(C2)CCC3)C=CC=C4,YKFPDKCDEGOMSC-UHFFFAOYSA-N
-D20925636F127A2F_70494EC582D70074_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,NNZKXDXZTJQFPE-UHFFFAOYSA-N
-D3C871CDE7C27039_E8834B2FDE97A78C_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C)C=C(C=C3)Br)(=O)=O)C=CC=C4,FZABAJGEAPOXJZ-UHFFFAOYSA-N
-D53F2B001EB8DCDC_5B56A335181B2C66_6029_UN,C1=N[N](C(=C1)C2=CC=NC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=N4)(=O)=O,FRRQGPSFKVEUKM-UHFFFAOYSA-N
-D7002EF8D77E6D98_FF645842081C57F3_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)N(C)C,BLTCKLBUURCAGO-OAHLLOKOSA-N
-D703A8E1F82BFFD7_401EA8BFEE6C83FA_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O)C=CC=C4,JBGOYTSAPSTICB-UHFFFAOYSA-N
-D74745C0AB4F5751_EC461C461D6A6467_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCC4,LVBXZVLEFLOTQA-UHFFFAOYSA-N
-D79EB4F188C7B5A0_A0315AE7D26C421F_2875_UN,C[N]1C(=NC2=C1C=CC=C2)[N]3N=NC(=C3)C4=NC(=CS4)C5CC5,NVHNZADJTGIAAO-UHFFFAOYSA-N
-D8ED4A0758D8CA5B_829D2BAAE241014A_7015_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=CSC=C3,WWKVNIKBHOLZMA-UHFFFAOYSA-N
-DCDC86038C16274C_324B14316817F7E2_6041_UN,C1(=NC=C(C=C1)C2(CC2)C#N)NC3=CC=CC4=C3C(C)OC4=O,GKVXQHPXGMGMJV-UHFFFAOYSA-N
-DD2956D4CB11AF72_96E3A1082A33B5B9_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC3(CN(C)C3=O)C,AFBFFMCALWHAPH-UHFFFAOYSA-N
-DE0EA0CD3F9C2492_2F8B736A8C721085_6029_UN,C1C(CN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NC=CC=C4,QGNAYCVRLNYNSV-UHFFFAOYSA-N
-DE4576A56CE4BAA4_99089358B721938C_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,JVKMIFRLLUFCBK-CALCHBBNSA-N
-DE8BA9F0683F8632_4A7D974CC5612108_6006_UN,CC2=C1C=CC=CC1=NC(=C2)C3=CC=C(C=C3)C4(O)CCC4,HBNUYPCRECFVCU-UHFFFAOYSA-N
-E0D7772A7165BB32_AC6C9001F42D6F18_6041_UN,CC(C)SC1=NC(=NC(=C1)NC2C4=C(C3=C2C=CC=C3)C=CC=C4)C,KERSMEAQWDEHGT-UHFFFAOYSA-N
-E2283A7C685FBD12_15477D79254B7F43_6029_UN,C1CC(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CN=CC=C3,XNGXDFJGTDBSKN-UHFFFAOYSA-N
-E30F1CED9426FF72_22D748B1A6DB9EB0_6006_UN,C1(=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)Cl)C3=C(C=CC(=C3)C)OC4CCCC4,IDYAKNIERVLAQN-UHFFFAOYSA-N
-E419AB838351358A_D5F08ADC1209A97C_6006_UN,CC2=C(N=C1C=CC=CC1=C2)C3=CC=C(C=C3)C4(O)CCC4,IBTUQVMTOLOIAW-UHFFFAOYSA-N
-E4BEE1D4F627135B_C26AE7791DA4713B_6029_UN,C1CC(CCN1[S](C2=NC=C(C#CC)C=C2)(=O)=O)C3=CSC=C3,AORRHFUOJQVMSB-UHFFFAOYSA-N
-E7E28744D04888C0_5BD50A45C74C03E6_6006_UN,O=[N](=O)C2=C(N=C1C=CC=CC1=C2)C3=CC(=CC=C3)C4(O)CCC4,DTYVNLRGTJFEQQ-UHFFFAOYSA-N
-E95096C6875DEB94_4E4FB55C908FBA7A_6041_UN,CC(C)C1=NC=C([N]1C)NC2(C)C3=C(OCC2)C=CC=C3,MNCSDZFORGBSJD-UHFFFAOYSA-N
-EE40D1DC0326F8FC_73C2CDFF0EA524AB_6026_UN,ClC1=C(C(=CC=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,YJVCCIIONUEIKC-UHFFFAOYSA-N
-EF5CAE2088B480B7_29EA34F39977A120_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O)C=CC=C4,UZDIHASRYLNBHF-UHFFFAOYSA-N
-F0C7D6D41B170E5B_061A91EC20016A24_6029_UN,C1=CC(=N[N]1[S](C2=CC(=CC=C2)C3CCCCC3)(=O)=O)C4=NC=CC=C4,PDCJBZJTUPOWMR-UHFFFAOYSA-N
-F0DD57FA1DE940B7_5EC0740BFD30D00B_6029_UN,C1CC2(CC1)C5=C(CN(C2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O)C=CC=C5,JEJPBSLJTJKMNN-UHFFFAOYSA-N
-F105F82D43532B87_7C6105B1B1CEC998_6041_UN,CC1=NC(=NC(=C1)C)NC(C)C2C(C3=C(O2)C=CC=C3)C,FCUVMHRZQHIYKB-UHFFFAOYSA-N
-F28B76CBDF9C5A6E_AD92D2DBB683F764_6041_UN,CC1=NC(=NC(=C1)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCCC4)C,JVYZBKNQEMNYPS-UHFFFAOYSA-N
-F30C942ED5435FC4_DB274DB706710E0F_6029_UN,OC1(CCN(CC1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CC=CC=C4,ASGMQVZOCHLERL-UHFFFAOYSA-N
-F3AC5FD669958ACA_5F59CBC26E7C5289_6039_UN,O(C1=CC=C(C=C1)N2CCC2=O)CC3ON=C(CC)C3,RURKDWKLEIWCMB-UHFFFAOYSA-N
-F56CB093CBA2C47A_F2C0890A85F29B23_6028_UN,C1=CC(=NN1[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O)C4=NC=CC=C4,HJJQHDIZFQVVMT-UHFFFAOYSA-N
-F72D69414A67075E_183650D67EE49FBE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4=CC=C(C3(C)CC3)C=C4,ADZWBVKKJHZKTL-UHFFFAOYSA-N
-F7816129FED02293_76F103E9203EB7DA_6029_UN,C1CC2(CC1)C5=C(CN(C2)[S](C4=C(C3(O)CCCCC3)C=CC=C4)(=O)=O)C=CC=C5,JJXKQKJPHVGQEU-UHFFFAOYSA-N
-FB13686883DE896C_59F12506B24DB571_6041_UN,CC2=C1N=CC(=CC1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,OTHKZOKOKRHZMV-FZNQNYSPSA-N
-FC2EB9A45FC74B21_51B66563D2798075_6038_UN,N(C1=CN=C(C=C1)C2CC2)C([C@@H]3C[C@H]3C4=C(CC)C=CC=C4)=O,QNZIAJKTVAZEFL-ZWKOTPCHSA-N
-FE368893CA60999E_48BD017E03284BC1_6006_UN,CC1=C(C2=C(N=C1)C=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,QNCJMSCCHHTOJG-UHFFFAOYSA-N
-FEDAD378AC6C74D5_941F506851FD688B_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC4=CC(=C(C(C)=O)C=C4)C,JCGLDFLWLYXCNH-UHFFFAOYSA-N
-06D9DC06B1493CEA_BFC51121018EB303_6038_UN,CC1=C([N](N=N1)C)COC(C3=NN(C2=CC=C(C)C=C2)C(CC3)=O)=O,GEJJXAQPUSYMAB-UHFFFAOYSA-N
-0E30EC54B38EEE45_348699375B335336_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=CC=CC(=C3)C)(=O)=O,CXAQOTCCWXKIPH-UHFFFAOYSA-N
-102DD174FE316112_EA3FB2275687FE0E_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C(CC)=C)=O,MAQFTULQKQUPBL-UHFFFAOYSA-N
-112AB7D72A66D4D3_22DE59D6BBEC89C3_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC4CC(N(C3=C[N](C)N=C3)C4)=O,XOTDBSDAVVIMLG-UHFFFAOYSA-N
-11984EB667E5D844_8CD8C86CA4AA6C98_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)[C@@H]2CC[C@H](CC2)C3=NC=N[NH]3,ORXPUMRZZXRVJA-XYPYZODXSA-N
-125C9B6BDE333000_B5225AA72F4FDF0C_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C=C3)C#C,OVDQCXZXZOUMHM-UHFFFAOYSA-N
-13BB398F8B43429D_6E0B4F80ED505D0C_6038_UN,CC[C@H](OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=CC=C3,SKPQXGNBDOJVCV-HNNXBMFYSA-N
-13C4F9C8C904AE57_618D8773A0F08A4C_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,LXGKFHWGJHELNN-UHFFFAOYSA-N
-14AC69C7D689AADE_5B64B9DB6114822C_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C,SVRVRPQRCUCFMX-UHFFFAOYSA-N
-1992C24B771FC2E4_807BB8BE650E71D0_6038_UN,COC1=CC(=CC=C1)C(C)SC(C2=CC=CC(=C2)C3=N[NH]C(=N3)C)=O,VYAGPSJZXICNLH-UHFFFAOYSA-N
-1A6D7850E38481BD_F6837A64882B03AD_6026_UN,CC1=CC(=C(C=C1)F)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,VBNMNYVKJGRBFR-UHFFFAOYSA-N
-1B6F285E857AD900_5CA56075E7ABAD15_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=NC(=NC=C3)C4CCC4)(=O)=O,NIMWJVTWRCBLSS-UHFFFAOYSA-N
-1D3562AB377CEF7D_BC7790DC4664A1F8_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=CC=CC(=C3C)C)(=O)=O,BOFKZGRNWJHTSO-UHFFFAOYSA-N
-1F09D2EB888B32CF_4C5C746AC5D4BD34_6038_UN,N(C1=CC(=O)CC1)C(C(=CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,GQBOLJDAKNNHBY-UHFFFAOYSA-N
-1F8FE978B6480FD9_7C279C75E62D9BEA_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=CC(=C(C)C=C2)C3=NN=N[N]3C4CC4,NDDBEXHQTPOWJV-UHFFFAOYSA-N
-25E80EDFC232FB25_4106FE38492C0683_6026_UN,FC1=C(C2=C(C=C1)C=NC(=C2)Cl)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,WAGFQQUVBQKORQ-UHFFFAOYSA-N
-288206662A5BC5EC_525F9EBFF389FD76_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CC45CC5,QPUUZWMMUMKHNL-UHFFFAOYSA-N
-2A0F4D52AE7CF2CA_73E53AF74F75CD05_6038_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(CC(N(C)C)=O)=O,ZYKDRZWVGJLLBR-UHFFFAOYSA-N
-31B5105DAE1B1B1F_A59E9A491DA8D248_6026_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C,SDTJPIKPSZAJSH-UHFFFAOYSA-N
-32D3ED226F7A9BB1_C59AC9043A5F8C87_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)[N]4C=NN=N4,LBDYYKKSSUTRNA-UHFFFAOYSA-N
-343FFF878A0FB5F8_900516F38ADC7133_6026_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCN(C2=CC=NC(=N2)C)CC3)C,RWQHULUQIXQWBW-UHFFFAOYSA-N
-34A04D9D4BDFEB40_74AA305F0422574E_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C(=CC=C3)O,SMLMXWAXKNFJMQ-UHFFFAOYSA-N
-35F770CACE4B6DAD_1ADC6845E26CCF0F_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=CC=NC(=N2)C)CC3,LVXSVFLEOKQWFW-UHFFFAOYSA-N
-3614A78CC325E943_24BD7BF0C4D8F594_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=C(C)[N]2C3=C(C=CC=C3)C)(=O)=O,NMWKXDPVMUINHL-UHFFFAOYSA-N
-362E57BA59343047_E28FFC3920B2F028_6038_DP,OC(=O)CNC(=O)C1=CC=C(C=C1)C=C2SC(=O)NC2=O,KDFOYFHXNHFANU-UHFFFAOYSA-N
-393502B63C72EF2B_FAB6EAAC1F31E54A_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)[N]4C=NN=N4,BJNNIBDLPGWADQ-UHFFFAOYSA-N
-39BEA210E3FA2FDF_A124635DF015B2E0_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NN=N[N]3C4=C(C=CC(=C4)C)C)(=O)=O,SYLVQFLAJOIDDD-UHFFFAOYSA-N
-3AE5CC01D6E1A024_68F84D4FF671AF66_6029_DP,O=[P]1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,VRIUBNYGRUZMQA-UHFFFAOYSA-N
-3B023DF8C6DF67DD_87DE3B26D17C6518_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=CC(=CC=C2)C3=NC(=N[NH]3)C4CC4,NAJKNJGYCSAMQK-UHFFFAOYSA-N
-3B60C48E357B5FC0_4864D85389560554_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)[N]4C=NN=N4,XERDJFCRNXVNEK-UHFFFAOYSA-N
-3C6F284B499032FE_7F9427701EA08F99_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=C(C=CC=C3)NC4=CC5=C(C=C4)B(O)OC5,YANNMTAFUVLIJG-UHFFFAOYSA-N
-3CF1EAA13F615653_66DEE0830AE07077_6029_UN,FC1=C(C=CN=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,AJYRWDXBNRPPNU-UHFFFAOYSA-N
-410573128E606846_E105A59BB4AAEB13_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(N=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FXNNKSLYFCZSLU-UHFFFAOYSA-N
-474A9C27CED0A8AE_EFE862D4635D26E8_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,ACHXXCVAPWZIFU-UHFFFAOYSA-N
-4897BE8402BC825E_1FFB58A1245A52CF_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(C=C(C)C=C2)C3=NC(=N[NH]3)C4CC4,ADZQOLWREUCZKN-UHFFFAOYSA-N
-48DEEDF713BB83AB_3D1A421E9AF01955_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=CC(=C(C)C=C3)C)(=O)=O,NALFTVVXNOAMDS-UHFFFAOYSA-N
-4AAB0451DB8F6D32_BCBEF9AC68099805_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CC(=C(C)C=C2)C3=NN=N[N]3C4CC4,XQARXLAHYHEDND-UHFFFAOYSA-N
-4B9169FFB6FD9F6B_944F7C35BB70F249_6041_DP,CC(C)C(=O)C1=CC=C(C=C1)NC2=C(CO)C=CC=C2,TWEVEZNLSVHTTL-UHFFFAOYSA-N
-4CB8ED4EA26D6E26_1727F0E881D8C951_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3)[N]4C=NN=N4,WMYAIPUGOQACCW-UHFFFAOYSA-N
-4D2365706EF86FA6_AB9832CD510CAB44_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4)Br,JIKFZTVBNBZMAT-UHFFFAOYSA-N
-4F1209C83F8DC7E7_3FF7F1E5F56D061B_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3C(C2=C(C=CC(=C2)C)Cl)CCC3)[N]4C=NN=N4,FRPIPRHFRYTOQG-UHFFFAOYSA-N
-4F98508E6220031B_435DF6DAF9E5239B_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,AWPUTFXBHNQMAP-UHFFFAOYSA-N
-51D611101BAD5DCB_4804E8D8A0BE143D_6029_UN,OC(COC1=CC=CC=C1)CN2CCN(CC2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,WNQPXLVCXUNWGZ-UHFFFAOYSA-N
-53DE922709137D90_6FD68FD69BC0DE0B_6041_UN,OC(=O)COC1=C(SC=C1)NC2=C[N](N=C2)CCN3CCOC3=O,YFWQIINQXUACBN-UHFFFAOYSA-N
-5A5B3EA75D85AEDB_E3CF204AB28062F5_6029_UN,OCC1(CN(CC1)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O)O,MGUAIXTWBKHSKF-UHFFFAOYSA-N
-5C83AE9D6510A6CC_1701ADCABCE6E50C_6029_UN,OC(=O)C1=C[N](C=C1C2=C[N](N=C2)C3=CC=CC=C3)[S](C4=NN=C5CCC[N]45)(=O)=O,DRFXDJVSVJFSOD-UHFFFAOYSA-N
-5E3790523A2C9BC8_632A5532706C9E46_6029_UN,C1CC(CCN1[S](C2=NC=C(N=C2)[N]3C=CC=C3)(=O)=O)C4=NC=CS4,BBSNYLDIPSTUGL-UHFFFAOYSA-N
-5FC0697926E8503A_F4B1A5E868040D1D_6029_UN,FC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,QTQUYYDPWYEZLH-UHFFFAOYSA-N
-6078BE09CB6EE41E_8F442CC248E11635_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCC)=C)=O,DCCIQQBGMTXBDX-UHFFFAOYSA-N
-6126B4288F29A460_BF11B2E61E678A0C_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=C(C=CC(=C3)C)C)(=O)=O,KCUYINDQOFXWAC-UHFFFAOYSA-N
-61851AF049A00A5A_85DDCA14E66061CE_6038_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(C(CCN(C)C)=C)=O,CCLOGNUIBWKQTJ-UHFFFAOYSA-N
-6236E2DDD558FD4B_C76260C8E3A9BBE6_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(N=C2)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BDKRRPGGJSOWGE-UHFFFAOYSA-N
-6BC43EAEA93A5AD7_728003884E4FCCCC_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=CC=C3)C#C,HNWHVPQIGGMROY-UHFFFAOYSA-N
-6E98EBEB79495729_571CDCAD23F62EFB_6038_UN,CC(C)(C)C1=NOC(COC(C=C[P](OCC)(=O)CC)=O)C1,IYDJFXJHHGCNDZ-UHFFFAOYSA-N
-6E9CD5F4D46926C9_9CACE9128103AB6A_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C2=CC=C(OC)C=C2)C)=O,QACJFUKOCCYBFN-HQVZTVAUSA-N
-703BD649EC19A3B9_86EA1F662904EE18_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=N[N]3C4=CC(=CC(=C4)C)C)(=O)=O,GDWMYCBGKDKACN-UHFFFAOYSA-N
-71EC87A8E76CBD2F_4F4BF8C7855D6A91_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=CC(=CC(=C3)C)C)(=O)=O,JURLXZATGULMHN-UHFFFAOYSA-N
-7407EF3AD0559C34_381F4DA09F2BB99E_6038_UN,CC1=C(C(=CC=C1)C(=O)N2CCSCC2)OC(C4=CC=C([N]3N=NN=C3C)C=C4)=O,GLSMBFSCVFPSJL-UHFFFAOYSA-N
-7752226B18BF746A_ACB0ED412D0EC2A7_6026_UN,CC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,WNEGVTGFIICUJW-UHFFFAOYSA-N
-780E614005796974_E826B6507C0E8D0E_6035_UN,O(CCN1C(=O)CNC1=O)C3=C(C=C(C=C2N=C(N(C)C2=O)C)C=C3F)F,WFIDSBQDOOIXFR-UHFFFAOYSA-N
-7B1B2F1E7E95B946_BC6F0EA08DDE72F4_6039_UN,CC(OCC(N2CCN(C1=C([N](=O)=O)C=CC=C1)CC2)=O)C3=NN=N[N]3C,TVRPNHBZYLPOJG-UHFFFAOYSA-N
-7E6AC04FFCE4AF71_E122E15FFDD41FED_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,NHYJKDJWFIWDMJ-ZDUSSCGKSA-N
-7E8C32336ACEDEDC_47475EFF5F5866F7_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CC(=CC=C2)C3=NC(=N[NH]3)C4CC4,RLHWZXZUTLLIRF-UHFFFAOYSA-N
-80F1E2D73E7717A3_41C3943D25CEC2EA_6026_UN,CC1=CC(=CC(=C1)F)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,YBDCJLZEZDWTET-UHFFFAOYSA-N
-8378D6B9F5D74ADA_87C3306CCFFC164F_6029_UN,ClC1=C(N=CN=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,BBQSBDPVRDXVRG-UHFFFAOYSA-N
-8B8BF726E2043EDD_1EF1ACBDA4A05B74_6038_UN,CN4C[C@@H]3C[C@@H](OC(C1=CC=CC(=C1)C2=NN=C(C)O2)=O)CN3C4=O,XAJJVLBFRZJXFK-UONOGXRCSA-N
-8CD536CDF769BDE5_325513A93B1CDBFE_2267_UN,OC(=O)C1CC(O)(C1)C#CC3=C(C2=NC(=N[NH]2)C)C=CC=C3,PKEQNLVCRQDSMS-UHFFFAOYSA-N
-8D741C90F4F80C54_4016567BCF1C7DB4_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(OC)C(=CN=C2)F)(=O)=O,PMGOQYMHCVINES-UHFFFAOYSA-N
-91A5E2134FBF7D0F_41EC60A475464B61_6026_UN,FC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,USAISYIYGHFPNU-UHFFFAOYSA-N
-9669D6D6B6D261C6_C10F0CD585F7AC15_6034_UN,ClC1=CC(=C(C=C1)Cl)N2CC(=O)N(C(=O)C2)CC=C(CC)C,AXFOJSAVVGOPTE-UHFFFAOYSA-N
-9A8FD3F82181AB94_A0134D6960AD76DE_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Cl,RHNIDUWDZWERGR-UHFFFAOYSA-N
-A346CBF980F75B74_164496F9C3C6FD8C_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(C(OC)=O)CNC2)C(=O)O3,SJUVIJCWSUIFLN-UHFFFAOYSA-N
-A52E272324608075_BB8E0A761C108CFC_6038_UN,COC1=C(C(=C(C=C1)NC(=O)C2=NNC(=O)CC2)C(=O)C)OC,BAILWMIMQYMGBY-UHFFFAOYSA-N
-A6E8B5142A7BCBF0_861123446CE40A25_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,HCGZGDYKLIKWBA-UHFFFAOYSA-N
-A78F351806BA4FB4_586478D342D9F183_6026_UN,CC1=NC(=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,SVYSKUFWTHNEAS-UHFFFAOYSA-N
-AC503C67A6C7D732_4903CAFC501DAE79_6038_UN,N(C1=CC(=O)NC(=O)C1)C(=O)C2=C(C=CC(=C2)[N](=O)=O)N3C(=O)C=CC3=O,MCGLTVQUAFWNCM-UHFFFAOYSA-N
-AD6453387971B9EE_B7D37C9A2B5E2C02_6029_UN,CC2=C1[N](N=C(C1=CC=C2)C(=O)O)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O,AVCLXDJRGUDYKQ-UHFFFAOYSA-N
-AE2C22B6809671DD_13DB22B4776E5362_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,ZVNTUYCQOSQMRO-UHFFFAOYSA-N
-B045929A2A820BC4_D9F93CF46F895333_6038_UN,CN3C[C@@H](OC(C2=NN(C1=CC=C(C)C=C1)C(CC2)=O)=O)CC3=O,FYVBMXCLXVWGIQ-ZDUSSCGKSA-N
-B29625237421C7E5_5B6D355A9E1CE37A_6031_UN,O(C(=O)C[N]1N=NN=C1C2=CSC=C2)CC3(C(OC)=O)CC=CC3,WEBHTEHKTOMIJB-UHFFFAOYSA-N
-B36EC0AF2A146F2D_AA9E120513ECE912_6038_UN,CC1=C(N=CC(=C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,TXYSRFFJEXFJBS-UHFFFAOYSA-N
-B3D932CAE6F9A5E4_88B5697C642B42B6_6038_UN,C[N]1N=NC2=C1C=CC(=C2)OC([C@@H]4[C@@H](C3=C(C)[N](N=C3)C)N(C(C4)=O)C5CC5)=O,KHKRZFLIJJDLIK-LIRRHRJNSA-N
-B53BC6F21D382052_D5563B8F2D5AF47D_6029_UN,CC(C)CN(CCO)[S](C2=CN=C(N1CCN(C)CCC1)C=C2)(=O)=O,ZYUGTTSQBRGXEM-UHFFFAOYSA-N
-B58B8711F512E5ED_A338EC78757ADA12_6029_UN,CC2=C1CN(CCC1=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,VAHSJDXOFFAWLW-UHFFFAOYSA-N
-B5F890BE3BABFF8F_8D05B8D2560459EE_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NN=N[N]3C4=CC(=CC(=C4)C)C)(=O)=O,MEXQXCWULBCBNE-UHFFFAOYSA-N
-BF8B6BE2F1826143_E4BBAAF430879BF9_6038_UN,CC1=C(C=C(C=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,CAOKIMSOPYQSFC-UHFFFAOYSA-N
-C1B61437AD327918_75D6777DEA3D2571_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=N[N]3C4=CC=CC(=C4C)C)(=O)=O,BPLZLIMYWDWJEJ-UHFFFAOYSA-N
-C21931CC36B56FFF_757604C623FD6BEC_6026_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3)C,OTTNYTUESJZCNF-UHFFFAOYSA-N
-C23CF1D8CECCD953_8F4397DDC79423B0_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C(CCC)=C)=O,QQSGKFZBOZIPFU-UHFFFAOYSA-N
-CB28C2DE1BB8A1EA_1A3A09B242D983E9_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2F)F)CCC3)[N]4C=NN=N4,BGMOMUQFGRWCOC-UHFFFAOYSA-N
-CCBE7522732B2A93_B6E393FD7900FBAD_6026_UN,CC1=CC(=CC(=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,YNWRAHPYXHVIEM-UHFFFAOYSA-N
-CEAFE86B9CEF17EE_CD7A40DBA81BDB6E_6038_UN,CC1=C(C=CC(=C1)CNC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,XTKBOGPJKMUNQF-UHFFFAOYSA-N
-CED06A73F2DDFDFB_AF337D81929370F8_6038_UN,CC1=C(C(=CC=C1)C(=O)N2CCSCC2)OC(C4=C(C=C([N]3N=NN=C3C)C=C4)F)=O,FDFHNPKOIRABPB-UHFFFAOYSA-N
-D0CAE1D7669A8633_F18677F077D06F11_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C)Br,XZXBPFNSSKHATJ-UHFFFAOYSA-N
-D345E0311FAE8635_C80DE69E89EB6E5B_6026_UN,CC1=CC(=C(C=C1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,POKWMXRPIIPQEU-UHFFFAOYSA-N
-D49BE051ECC77A94_CBCDE31CD5893A26_6003_UN,CCN2CC(OC1=CC=C(C(C=CC(OC)=O)=O)C=C1)C2,KTIQXRROYIYGHN-UHFFFAOYSA-N
-D7D24DDB018E18A2_C780424EF9154D07_6026_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3)C,XSBBVHNUQFWUOW-UHFFFAOYSA-N
-DA388684318B4D2E_9917B3E06C9C353F_6029_UN,O=C(N1CCN(CC1)[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=CC=C(C=C3)[N]4N=NN=C4,OCSGKHSRKLACAQ-UHFFFAOYSA-N
-DAD23DBD72796AC0_1E1570D8FF8E3CEF_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4)Cl,VDRLVFPRRXXGFM-UHFFFAOYSA-N
-DBD06B942DE4E9FB_1907675A49440B20_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3)[N]4C=NN=N4,XDIICSAXBSDYGJ-UHFFFAOYSA-N
-DBFE30B83678A2EA_CFEF798CB71C52AF_6026_UN,ClC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3C(C[N]2C=C(C)C=N2)CCC3,UBMPERLQZGMXFK-UHFFFAOYSA-N
-DC5F6858F711176D_0F6DDFF8212925BB_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=C[N]2C3=C(C=C(C)C=C3)C)(=O)=O,GKLUBYIGBSVJOK-UHFFFAOYSA-N
-DC6E80B429B61F7C_22F3507B503457D8_6026_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=CC=NC(=N2)C)CC3)C,VJYIHSIMMMNXJD-UHFFFAOYSA-N
-DC9749D0BA22B2DA_01DDB2BCCF74E6F8_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,DEXXJAOEAFRNFF-UHFFFAOYSA-N
-DCDFA8388FFB6311_FFAF7A704B4DD5D0_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,LPEYRCPWHHVCQP-UHFFFAOYSA-N
-DCE6B6367233D4E5_60CFE87CE93B7329_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,OVHOJHOOYFFTBJ-UHFFFAOYSA-N
-DE910A627E856295_80187698B3C1EFCA_6029_UN,OC(=O)C1=C2C(=CC=C1)N(CCC2)[S](C3=C(C=CC(=C3)C)[N]4C=NN=N4)(=O)=O,JYUNKSSWBVKYCF-UHFFFAOYSA-N
-E3B26106D32D7D73_6731784B6F0BA6C5_6039_UN,C[C@H](OCC(N1CCC(C(N(C(C)C)C)=O)CC1)=O)CC2=CSC=C2,CUKANJYVYLHCAD-HNNXBMFYSA-N
-E4FB81682C8AF593_2660C3683D08CEA0_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC(C)(N3CCNCC3)C4=CC=C(C=C4)Br,KCQBIQURWSCICM-UHFFFAOYSA-N
-E642D6ADC7858D9B_DB6401EE941223E9_6029_UN,C1CC(CCN1[S](C2=CN=C(N=C2)C3=CC=NC=C3)(=O)=O)C4=CSC=C4,YILCKWACKQNPJQ-UHFFFAOYSA-N
-E6ACE69FED878AFB_7B9F51C3D69F5416_6038_UN,O(C1=CN=C(C=C1)F)C(C3(C2=C(C)C=CC=C2)CCCC3)=O,SSXRIAURKWNSAD-UHFFFAOYSA-N
-E822D21CAE64D817_79777E5E5854F20A_6026_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCN(C2=NN=C[N]2C)CC3)C,VEPORZAQZLMRNN-UHFFFAOYSA-N
-E8628B9EAF6DEB4B_7C0BA8DF1B33A3A0_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Cl,HQLYPIFKKGVNKP-UHFFFAOYSA-N
-E93F2E1CEC28376F_AC6C4CB3B45F3D8D_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(OC)C(=CN=C2)Cl)(=O)=O,CRSOENUPQXUFAE-UHFFFAOYSA-N
-E99B3F7B1F51865D_C63596E0B3793A37_6005_UN,OC(C1=CC=CC=C1)C2=C(C=CC=C2)C3=C(OC)C(=CC=C3)O,DSYQOVUQTJLBSM-UHFFFAOYSA-N
-EB0A32DEDA80944C_9A5C2FD03029D96F_6003_DP,O[C@H]3C[C@@H](OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3,ZJFJNGYTGRVKCT-KLPPZKSPSA-N
-F04BC5166846CEEC_CA75045743DDCEA5_6034_UN,COC1=CC(=CC=C1)C2=NC=CN2C3=CC=CC=CC3=O,OPKBCCCXAJKFLN-UHFFFAOYSA-N
-F06493D3C6A0BE22_914AEF5EA7D3DEDD_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3)[N]4C=NN=N4,UFQXZDJJLMQEDL-UHFFFAOYSA-N
-F1C80D5681F79EDE_73DE115EA34C0387_6029_UN,N(N1C(CC1)=O)[S](C3=CC=C(C2(C)CC2(F)F)C=C3)(=O)=O,RAVGZURAQZKCNC-UHFFFAOYSA-N
-F2A183916577D526_41D01C864E10EAAF_6038_UN,CN4C[C@@H]3C[C@@H](OC(C2=CC=C([N]1N=NN=C1C)C=C2)=O)CN3C4=O,JLHARFQAVHXERG-UONOGXRCSA-N
-F4BA153483B9C4E0_670477CF9F4B686E_6034_UN,O=[N](=O)C1=CN(C=CC1=O)C2=C(C(OCC)=O)CNC2=O,SPFVIJLFRWYFHQ-UHFFFAOYSA-N
-F7A9CB4960EB041C_0C02A6E3155A2FDC_6038_UN,CC2(CCOC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)N=N2,LRRWAZHVKRCPLZ-UHFFFAOYSA-N
-F894AC9E7FD4F3FD_2639E53069006E92_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4)Br,PIMVATYGFRFGKD-UHFFFAOYSA-N
-F9304DB6CC4CA7E7_FA8CB64809C33A7F_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC4=CC5=C(C=C4)B(O)OC5,HGJOCAXQEQGFJA-UHFFFAOYSA-N
-FAF31B9C16AA9057_BF52F49DD6B26268_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CC(OCC)=O)N=CC=C2)(=O)=O,SQIWGPDSUGLTPY-UHFFFAOYSA-N
-03065250B9BFDEC5_6C30CD89FEA00587_6027_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,KQBBLLAKJXTRDW-UHFFFAOYSA-N
-03065250B9BFDEC5_6C30CD89FEA00587_7015_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,KQBBLLAKJXTRDW-UHFFFAOYSA-N
-05371B15CBA62C24_2B1645CECAE9E47F_6027_UN,CC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WXIWPCAKKCSVGP-UHFFFAOYSA-N
-05371B15CBA62C24_2B1645CECAE9E47F_7015_UN,CC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WXIWPCAKKCSVGP-UHFFFAOYSA-N
-05AA22BAF4B9E6B7_A83014DE39A7D5A9_7015_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,KHUGDUJYRZFVGH-UHFFFAOYSA-N
-0607816FA4F01178_9380D6B9939BCB8D_2267_UN,CCCCC(O)(CCl)C#CC1=N[NH]C2=C(OC)C=CC=C12,UICDEPCXBOFTNP-UHFFFAOYSA-N
-089056CD2EB640B5_066A18AF8D41DA8B_6029_UN,CC1=C2C(=CC=C1)CN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,CIYQXXOTKGVEFV-UHFFFAOYSA-N
-160D7FDCEFAAE2C5_F6106919B892345F_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CN=C3)C#C)(=O)=O,VQYWZYUHZYGQPV-UHFFFAOYSA-N
-19324D3060369999_E7FCF1E52B584B60_6035_UN,CC1=C(C=CC=C1)C2(CCNCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,BYJIFGGFBWJBLX-UHFFFAOYSA-N
-1C210B2272245986_0A04FB273C3B5304_6038_UN,CN(C)CCOC1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,FBYFSCPBXDIZRB-UHFFFAOYSA-N
-26178E74B32D54E3_A9BC3924FD341E80_6028_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,PJOYCNUFIQHMNO-UHFFFAOYSA-N
-2BDB5C510D8C2F73_AE85D97CBB72ED16_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C=CC3=C([N](N=C3C)C)C)=O,URPWMEFFLFWZRE-UHFFFAOYSA-N
-2D864CF781F7DBA2_1AA0EACEB8C9575C_7015_UN,ClC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DEFLUEFKUBPVBT-UHFFFAOYSA-N
-2D864CF781F7DBA2_4C4D181E67FA005A_6029_UN,ClC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DEFLUEFKUBPVBT-UHFFFAOYSA-N
-3365CFB3D57E26C5_5F15371CD264403E_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,SAYXKGQPCKGEEY-UHFFFAOYSA-N
-38C7DB01BBFBD841_E7E4BF7B7851472F_6038_UN,N(C1=CC=C(C=C1)N2C(C=CC2=O)=O)C(C3N=CN(C)C3)=O,IZUNCTUCCFWPFM-UHFFFAOYSA-N
-3E8CCA62B2B4E60D_1BF343FEC3E001DA_6038_UN,COC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)C2=NNC(=O)CC2,ZQKNSRLOEQGHKJ-UHFFFAOYSA-N
-415E669B3F0F2756_B8F20AF09B35E13C_6027_UN,ClC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PTKKRDLSQGMDAM-UHFFFAOYSA-N
-415E669B3F0F2756_B8F20AF09B35E13C_7015_UN,ClC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PTKKRDLSQGMDAM-UHFFFAOYSA-N
-41D0A7222D026CBF_AD1D4E326E3F6AFE_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,HQTDVUOSZBASDE-UHFFFAOYSA-N
-41E20FAEC1D33B8D_8D1B5E2BD0516229_6029_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,HHEKTFGJOJIAAH-UHFFFAOYSA-N
-42CD0E4EB12F5D87_BE439EA04BB6CD30_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)NC2=O)NC3=C(N(C)C)C(C3=O)=O,HFGRHKNXIMXRRW-UHFFFAOYSA-N
-43A95B6C46753CD7_4C7802ED4E663D70_6031_UN,CC[P](=O)(O)C=CC(=O)OCC1ON=C(C(OCC)=O)C1,BNEFBNRAAVALPZ-UHFFFAOYSA-N
-4AB0DE1584A34AF7_7FD96CCA0CAA002B_6003_UN,CCC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(C2CC2)C3CC3,ZOXWSTGBTYOHBT-UHFFFAOYSA-N
-4B0009E5F4058121_D68FA0AC1520FC1C_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC(=C(OC)C=C3C)C)(=O)=O,DOVJATRFWJDJNI-UHFFFAOYSA-N
-4E9F7DFB7AAFA9D9_790B359F3806C4EA_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC=CC(=C3)[N]4N=CC=C4C)(=O)=O,ORXWUJAGEHEPID-UHFFFAOYSA-N
-4EB878AE993B40F5_E6A189514E08FB17_6029_UN,C1CC(CCN1[S](C2=C(F)C=CC(=C2)C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,AQIYIIXOLUNVKB-UHFFFAOYSA-N
-504F4583D5A9EAA8_3C1D83C22E5C613C_7015_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,QECZICWVDBITQW-UHFFFAOYSA-N
-540999045A6BFE5D_5AE2D07CD4FC257F_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC(=C3)C)(=O)=O,OYVYHHIDZXXYND-UHFFFAOYSA-N
-548174D449B29663_B0FF7213AF2C7CF1_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,JMWFPEIHZYFHOR-UHFFFAOYSA-N
-54AE95F4D38322D6_898F3E638D931C45_6041_UN,FC1=CC(=CC(=C1)NCC2CN(CCC)C(C2)=O)N=C=O,INOUJYOTTIKQTC-UHFFFAOYSA-N
-5B8C9C23551BD873_9037465048D80176_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC4=CN=C(N3CCN(C)CC3)C=C4,DGKNKCMWYAFKCO-UHFFFAOYSA-N
-5E4CCA55CE4B9EAA_39DF33EC0D090D20_6029_UN,FC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=C(C=C3)C)CC)(=O)=O,YSLYFNGLYMUVJE-UHFFFAOYSA-N
-602719C18D6DCEE8_3F22DAE9B380A04A_6029_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,RPGPHBYQKDKBFB-UHFFFAOYSA-N
-656E22F85D2F4D27_BD7E27716740A461_6027_UN,BrC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,VPUZUFNDWPLJMM-UHFFFAOYSA-N
-656E22F85D2F4D27_BD7E27716740A461_7015_UN,BrC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,VPUZUFNDWPLJMM-UHFFFAOYSA-N
-66C6C1EF11C99C28_53A08C569CD931AD_7022_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)O[S](=O)(=O)O,PLCUNHOXHGHSJW-UHFFFAOYSA-N
-6A64C7E0D7A00DEF_3F55DE8E4DFD7007_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C=C3)SC#C,SORDZMKXEYRYKR-UHFFFAOYSA-N
-6CA2A7693A5EE301_B42F4F8C72D71923_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,RLDWMIZYULULCW-UHFFFAOYSA-N
-6ED9FD735F2D62EB_8D971590C5100202_6038_UN,COC(=O)C1=CC(=C(C=C1)NC(=O)C2=NNC(=O)CC2)N(C)C,OPYUUVGGUHKIRL-UHFFFAOYSA-N
-70791B3659F5EEBB_636E31AB917EEBB5_6027_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=CC=CC(=C3C)C)(=O)=O,AQINKXAXEQIOEN-UHFFFAOYSA-N
-776B41B274E3401D_70649CAA8EAF8AC8_6038_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C(C=C3CN(C)CC3)=O,DILPEVQTXJHUMP-UHFFFAOYSA-N
-7801C903D4F02F8C_6A882A99A9307CCA_6038_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(C=CC3=C([N](N=C3C)C)C)=O,PHURMZHSEOAZTC-UHFFFAOYSA-N
-7A7A3054791174D2_5754E9CBA991CD29_6031_UN,O(C(=O)CCCN1C(=O)CNC1=O)CC2=C(C(OC)=O)SC=C2,ACFRDZOEZCZJDS-UHFFFAOYSA-N
-7A8CAC4C3A58ECFD_8EBDE5A6336E827B_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=C3F)(=O)=O,MTZYVHQKCKRJIA-UHFFFAOYSA-N
-7AC4F49270D6670D_8B836C790B77F9DE_6027_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=CC(=CC(=C3)C)C)(=O)=O,IJUBWGMHAHBWFU-UHFFFAOYSA-N
-7B0936A27A43BB44_D760E660B1720F49_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=CC=CS3,ZFBPPRRRZXJLEK-UHFFFAOYSA-N
-7EB088452618FC02_C4AE5FB1B31A2BD6_6026_UN,CC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,LYTLMKBAEJTQMM-UHFFFAOYSA-N
-7ED9DA7792AEF352_E4EFDC741CCB25BF_6039_UN,CC2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C(=O)OC2,MMAVBXMCJWJWLZ-UHFFFAOYSA-N
-7FBD2025B520036C_53F6940FEAE76613_6029_UN,BrC1=CCN(CC1)[S](C2=C(C=CC(=C2)CC)CC)(=O)=O,KBVSGLKVTJKYCA-UHFFFAOYSA-N
-80297E6D04E43997_C4513F9C810C7190_6028_UN,N#CC1=CN=C(C=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,YBJHTCQQLSNVLK-UHFFFAOYSA-N
-815528E3A2BEB684_279F7E3AC63D36EA_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)F,VGHUDJHSUJRLLI-UHFFFAOYSA-N
-8195A9D2C9E705B7_CAD74C400B31A887_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,NTTACXWJIULQCT-UHFFFAOYSA-N
-83A8F3FA0693BCB0_704952502CDA4070_6034_UN,BrC1=CN(C(=N1)C2CC2)CC(C(C3=NC=C[N]3C)N)(C)C,BOQZLLLGYWOCAQ-UHFFFAOYSA-N
-8630D1FB05BE45C1_60A9B87273F1F1A4_6027_UN,FC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,ZAVBFTKEILGHLP-UHFFFAOYSA-N
-8630D1FB05BE45C1_60A9B87273F1F1A4_7015_UN,FC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,ZAVBFTKEILGHLP-UHFFFAOYSA-N
-8847BD27CCC079A9_E6F33BE51781C6EB_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,AHETZYPZORPASM-UHFFFAOYSA-N
-88B98EE034FB7E31_8001438CD064208B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC3=CC(=CC=C3)C#C,ROGLNKOESOJPPX-UHFFFAOYSA-N
-89B4D7CFFDA88507_47917529F0D3DB9F_6038_UN,COC(=O)[C@@H](NC(CCC(N(C)C)=O)=O)CC1=C[N](C)C=N1,ONBHTDNHXWKENX-NSHDSACASA-N
-8FA85C155522DEB2_B9921D791735C31C_7022_DP,C1(=CC(=CC=C1)C(F)F)N2N=C(N(C)C2=O)C3CNC3,JKAKAHQQDVCEDS-UHFFFAOYSA-N
-8FFB56A1F5CD6D60_A1D1D396CE53D181_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CC3=C(C)C(OC3=O)=O,CQWRYQCMWPPWOH-UHFFFAOYSA-N
-90BF274639A4E854_B4F7C4609FFDACCF_6029_UN,N(N1C(CC1)=O)[S](C3=C(N2N=C(C(F)(F)F)CC2=O)C=CC=C3)(=O)=O,VTYQGKADNUAJOY-UHFFFAOYSA-N
-9757040503FE6B00_7A73903D0949B192_6027_UN,BrC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,QGRGUQSTYDSNJX-UHFFFAOYSA-N
-9757040503FE6B00_7A73903D0949B192_7015_UN,BrC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,QGRGUQSTYDSNJX-UHFFFAOYSA-N
-98FD20CB92476690_66CCD5A8E743D0D8_6029_UN,N#CC1=CCN(CC1)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O,BSODOWOZGAYQEP-UHFFFAOYSA-N
-993A21CE0272F55D_3C3DB9677CE85009_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=C(C=CC(=C3)C)C)(=O)=O,NLYKDQUNGAUTGL-UHFFFAOYSA-N
-99A39754C1927808_E1F52C896DC45B98_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C2C4=C(COC2=CC=C3)C=CC=C4)(=O)=O,GUTZJTBTXUQVFJ-UHFFFAOYSA-N
-99E4627E3C718DD7_7455F2122C498C6D_6029_UN,N#CC1=NC=C(C=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)[N]4C=C(C)C=N4)(=O)=O,DAQZRDNCSVHWES-UHFFFAOYSA-N
-9B2B10CA258877BA_220FCE7B8FB38200_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3CC34CCCC5=C4C=CC=C5,AMZBFOBQCNJBFK-UHFFFAOYSA-N
-9B97F50DD8D95887_8F0FF3BC58B494F3_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C=C3)CC#C,QXUDVPWMNMXJMA-UHFFFAOYSA-N
-9CC7BB1AA25D1E5B_6EFE5D5FC928E1BF_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=C(C)[N]2C3=CC=C(C=C3)C)(=O)=O,JGYASICXEFKSRA-UHFFFAOYSA-N
-A031211FDA6EB087_47A31AA3B164334B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC3=CC=C(C=C3)C#C,YKUZCAMSJTUWIQ-UHFFFAOYSA-N
-A1D867815126B4BC_286F80B8E2186F91_6028_UN,C2C[N]1C=NN=C1CN2[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,SQHOYRFXYDISIU-LBPRGKRZSA-N
-A2555149C0FA0EAA_03FA299EB4B02AEA_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3CC35C4=C(C=C(C)C=C4)CC5,NOJYFKMDBGPURN-UHFFFAOYSA-N
-A2A45DD3F7271319_8AF6610B078AEC42_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=C(S2)C)=O,WKLQMTBTRKIOIW-UHFFFAOYSA-N
-A4895F0FE2E82A6F_4EA1713E8B5894D2_6035_UN,CC3=C(OC2=CC1=C(C(CC(C)(C)O1)=O)C=C2)C(=O)CC3,SICVAKGCDPXLTJ-UHFFFAOYSA-N
-A525FC29EE740341_5E8A2C02DB6007CF_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCC(N(OC)C)=O,SFOVAOVLNIUMBV-UHFFFAOYSA-N
-A5FD3C0EE42AD197_F0C39C63738A0126_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(C4=C3C=CC=N4)C)C)(=O)=O,NTFGNIWTIMNZKO-UHFFFAOYSA-N
-A8063CEBE3097538_D3FE28520AAD1C30_6029_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=C(C=C3)C)CC)(=O)=O,DVLMMWLMTMNEJJ-UHFFFAOYSA-N
-ABD4FB7E6E053185_5BA9941A19A0EFEB_6038_UN,CN(C)CCOC1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,YYVDFKROAYJUKV-UHFFFAOYSA-N
-ACF34D713E4A9965_09E11AC9276A37EA_6035_UN,O(C1(CC1)C#N)C3=C(N2CC(C)(C)C2=O)C=C(C=C3)N,VGKOPGYOCYLYGK-UHFFFAOYSA-N
-B2BB7160AB9FCFED_E2EACB74E39A648C_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,RIBNWZKPKJVEDI-UHFFFAOYSA-N
-B7924825FED4272C_A973162F0D905020_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,JXMSKYNFBFTEIQ-UHFFFAOYSA-N
-B7ED80A594EB44DC_D35F60FFDDD9A7E3_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,DDZFOZOJSUEUOR-UHFFFAOYSA-N
-B94A4190B5C0A9AD_174240C94451734B_6038_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(C=CC(N(C)C)=O)=O,BOHCCSCVNHEVNW-UHFFFAOYSA-N
-BF33558622B17A1B_721E48F328C765E4_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@@H](C(=O)O)C3=CCC=CC3,VQDMBXXIFPBLAR-CYBMUJFWSA-N
-BF33558622B17A1B_EE82075BCEEDF8E0_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@@H](C(=O)O)C3=CCC=CC3,VQDMBXXIFPBLAR-CYBMUJFWSA-N
-BF698B008A664CC0_CE57F0131F95B1A2_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC[C@H]3N(C)C(CC3)=O,XEUCOCMNIGRJLX-ZDUSSCGKSA-N
-C1971D740291A979_3DB7EAC1EBF0D0C6_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O,DNMCPPMODQSSAR-UHFFFAOYSA-N
-C1F7A0CE05C54B53_22528FCAF2D4C434_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N(C)C3CC3)C4)Cl,ZJPRPDXFYBBBHT-UHFFFAOYSA-N
-C23828C0B7FBCEBC_80B146036F49AD74_7015_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,MZBXSSSYNXZLLQ-UHFFFAOYSA-N
-C41C8C6520C46DBD_208758DDFEEC4374_7015_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UQXRNZQHENEEKS-UHFFFAOYSA-N
-C47CF4021A227D8D_23C7C674D54B5DB4_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,SAINPDWOEWZWFR-UHFFFAOYSA-N
-C8C27B2BE0197298_D2059A4BD43DDBAA_6029_UN,FC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,AUFGEJQNLKZOMP-UHFFFAOYSA-N
-D2D2B994B84A39CB_4DB7ECA15752CA48_6026_UN,CC1=C(C=C(C=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,OWOLINRAFJRWTK-UHFFFAOYSA-N
-D447E54D4A094664_D922CC6C48AD7526_6027_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,GELGPWQFUKFVOG-UHFFFAOYSA-N
-D447E54D4A094664_E4589B41006E17CC_6029_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,GELGPWQFUKFVOG-UHFFFAOYSA-N
-D9718A7B08A19FDE_F4CE0AA0B65296AB_6034_UN,OC1=C(C(N(C=N1)CC3=CC(=C(N2CCN(C)CC2)C=C3)F)=O)[N](=O)=O,BBTJUKQDWCCONB-UHFFFAOYSA-N
-DAF62A0BBD364845_18E64701A27D6715_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC5=C(N3CCCN(C)CC3)N=C4C=CC=CC4=C5,HAFWFUDAVRQHPZ-UHFFFAOYSA-N
-DB880526B08B9D84_D98AD645378FFAD4_6028_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NN=N[N]3C4=C(C=CC(=C4)C)C)(=O)=O,ZKSPFUADKYKAQJ-UHFFFAOYSA-N
-DD080128ECC263CB_3446AE8B4A35AF92_6029_UN,OC1(CN(CC1)[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=CN=CC=C4,DLBNXNBBAQGIMT-UHFFFAOYSA-N
-DE90A21BF4061B57_2817B67A0638E338_6026_UN,CC1=C(C=C(C=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,VMYYBACUJDFQNX-UHFFFAOYSA-N
-DFBA4BC02A8DF2F3_BC660809C8ECB198_6003_DP,N2CC(=C(F)COC1=CC=C([S](CC(OC)=O)(=O)=O)C=C1)C2,XSQWEZWJPYVIHZ-UHFFFAOYSA-N
-E260D70B9CB0E065_C574B7BA955B1B84_6028_UN,N#CC1=NC2=C(C=C1)N(CCC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,VMCMFLQXFPECMB-UHFFFAOYSA-N
-E4CAEBF803BAF091_D5773FEDEAF357BB_6027_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WYPJXCHZGPIDLQ-UHFFFAOYSA-N
-E4CAEBF803BAF091_D5773FEDEAF357BB_7015_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WYPJXCHZGPIDLQ-UHFFFAOYSA-N
-E647DB367A92DD74_3500B90CC223C8D3_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C)=C(C#N)C(=O)O,ZJYDRMOADFACLL-UHFFFAOYSA-N
-EABBBE072B56C665_0B4BC7ABD0FF804A_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC2=C(CC(C)(C)CC2)C#N,JSNJNRSPARWUQZ-UHFFFAOYSA-N
-EC4EC6CD1D9F5076_0A1A0ECACCBEC5B0_6038_UN,COC(=O)[C@@H](NC(C1(C(N(C)C)=O)CC1)=O)CC2=C[N](C)C=N2,CJEUSKUCKWMERL-NSHDSACASA-N
-ED85B5C5DB976AE1_05D257D4FC12ED40_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,GPQMFYABIVMTLK-UHFFFAOYSA-N
-EE4E63920F28A6C2_5BBD4FF4840A726D_6031_UN,CCN1N=C(CC1=O)C(=O)OCC2=C(CN(C)C)C=CC=C2,IFSIRPBFBSFOQP-UHFFFAOYSA-N
-EF89898A487458B0_42CC8A475A75B75D_6026_DP,[S](=O)(=O)(C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(CNC3)C#N,GAQNVODPEUVVRZ-UHFFFAOYSA-N
-F0D25A95B6B25D91_9844FE991B1B336E_6027_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,VJPHIUUCBSJSDD-UHFFFAOYSA-N
-F0D25A95B6B25D91_9844FE991B1B336E_7015_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,VJPHIUUCBSJSDD-UHFFFAOYSA-N
-F1B3B3F069A58C1E_AEB973D4FBB8B863_6027_UN,FC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,CVXDPWNXHIPTBG-UHFFFAOYSA-N
-F1B3B3F069A58C1E_AEB973D4FBB8B863_7015_UN,FC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,CVXDPWNXHIPTBG-UHFFFAOYSA-N
-F6E53E53D9050D5B_45AB414AA771B95B_6026_DP,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)NC3=C(CNC3)C#N,FQQPMNYRPYQWCK-UHFFFAOYSA-N
-F6FC5AA6303FCA7F_B222A09A88D123B9_6041_UN,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N[C@@H]3CN(C)C(C3)=O,CKBXNFLAZGBCNX-JTQLQIEISA-N
-F775D8FDF2DBDE1F_1A83C9C17E4827C0_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=NC=C3C)C)(=O)=O,FPAMOUDZODQBGN-UHFFFAOYSA-N
-F7C85E1CC5259347_DFFD1742B70593AD_6034_UN,CC1=C(C#N)C(=O)N(C(=O)N1C2CC2)C[C@H](C(C)C)NC3=NC=C(C=C3)Br,NFZAXUDYFVTSPK-MRXNPFEDSA-N
-FAAA05396D2575C1_3ADDC0F07EDB6D38_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,AKPCTIVJXXFTMQ-UHFFFAOYSA-N
-FBEA972EB394A464_7FCAD55905618028_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=C3Cl)(=O)=O,LSXORFIJTOUYBJ-UHFFFAOYSA-N
-058611FE3765BCC1_FFDD943D23A741D4_6029_UN,C1CN(CCN1[S](C3=CC2=C([N](C(F)F)C=C2)C=C3)(=O)=O)C4=CC=CS4,IXYFCBGNVYFRCD-UHFFFAOYSA-N
-059C78F08A0B974C_F2551B4F237AF65B_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CC4,PNXDCWNDRSILJU-UHFFFAOYSA-N
-065E879F51CE9581_3966AD769F1D9970_6038_DP,CC1=CSC(=N1)C2=CC=C(C=C2)OC(C3=CC=CC(=C3)O)=O,VJNCWYKNIRCFAD-UHFFFAOYSA-N
-06DA11B3888DD93D_9E16892C5DD732AD_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CCCN(C2=NC=C(F)C=C2)CC3)Br,UNBFKAZRNXZCOL-UHFFFAOYSA-N
-073660BC77147180_799A6061216018B1_6029_UN,C1CC(=CCN1[S](C2=C(C=CC(=C2)OC(F)F)F)(=O)=O)C3=NC=CS3,OFGIZGMPYWUVNJ-UHFFFAOYSA-N
-093E3048C42C7495_06222AE4D3C93F05_6027_UN,C1CC(CCN1[S](=O)(=O)C2=CC(=CC=C2)Br)[N]3C=C(C=N3)C4=CC=CC=C4,KERCHMJCELRLMB-UHFFFAOYSA-N
-093E3048C42C7495_06222AE4D3C93F05_7015_UN,C1CC(CCN1[S](=O)(=O)C2=CC(=CC=C2)Br)[N]3C=C(C=N3)C4=CC=CC=C4,KERCHMJCELRLMB-UHFFFAOYSA-N
-17A130B104FC1CFC_C473866B8AD32A83_6031_UN,O(C(=O)C1=C[NH]N=C1)CC(C(OCC)=O)CC(C)(C)C,GUVBXTXIQJQBCQ-UHFFFAOYSA-N
-188DA71A75FF4B31_6798BF8B9CD2357F_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O,RUJVARBIZHVQNS-UHFFFAOYSA-N
-1AC8718E4B44F1E8_B0ED5734D6CBB357_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,KNGJSSFEODDWFN-UHFFFAOYSA-N
-1B405C943127600A_95D9C3043B232E4D_6041_UN,C1(=CC2=C(C=C1)OCC2)NC(C3=NC=C[N]3C)C4=NC=C[N]4C,KEGXTNUCEFSVBH-UHFFFAOYSA-N
-1B405C943127600A_BDC2C420D8C5DB34_6041_UN,C1(=CC2=C(C=C1)OCC2)NC(C3=NC=C[N]3C)C4=NC=C[N]4C,KEGXTNUCEFSVBH-UHFFFAOYSA-N
-1CB8F1259B0C4EE6_803B824EA537FAA4_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC3=CC(=CC(=C3C)C)[S](=O)(=O)C,YWJBGWDIOSFBQC-UHFFFAOYSA-N
-211B0C0393941EFD_05B2D84C8886181B_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NCC3=CC=C(CN2CCN(C)CC2)C=C3,LMIPPOURRKVUIS-UHFFFAOYSA-N
-221A07466034CF0B_CB29A3A294856CCA_6038_UN,N(C1=C[NH]C2=C1C(=CC=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,BCTBIOKZCSWYRP-UHFFFAOYSA-N
-22ADD84FDAB76177_5E069220D92ECFB9_6041_UN,C[S](=O)(=O)OCC1=CC(=C(C=C1)NC3=C(N=C(N2CCN(C)CC2)C=C3)C)F,XGTSCUXSLIWLCZ-UHFFFAOYSA-N
-2395862DF69EE2C8_196C41A2F73CC84D_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C([C@H](OC)C)=O,VFWPBJYSLAHSIT-SECBINFHSA-N
-2521C6D146216B95_71257065D3F35A20_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=NC(=C(C)C=C3)F)(=O)=O,XVNPBXPBYHPUHA-UHFFFAOYSA-N
-2859AC82B90710CD_6DF39856EB0729C0_6029_UN,CC1CN(CCN1CC(C)(C)O)[S](C2=C(CBr)C=CC=C2)(=O)=O,GTDAXHGJYHPCOG-UHFFFAOYSA-N
-2CA5073E151D741B_C76ED969400A4FF2_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C([C@H](OC)C)=O,CWBSYZZGPQYSIF-SECBINFHSA-N
-31120A2AC2582262_D40AF1AD6B21B454_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C([C@@H](OC)C)=O,CWBSYZZGPQYSIF-VIFPVBQESA-N
-32BE720D7D4FC7A7_20FCD9278492A5D9_6038_DP,CC1=NC(=CS1)C2=CC=C(C=C2)OC(C3=CC=CC(=C3)O)=O,GJURKMUVVXWMHI-UHFFFAOYSA-N
-32F7BD491BA6FD25_0EBCB611E8E8AE0C_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(Cl)C=C2)Cl)CC3)C,QANOYXHJLKEZGZ-UHFFFAOYSA-N
-35C826A3C5B42B4E_B5CB523C86F5640A_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]2C[C@@H](CN2)OC3=CC=NC=C3)=O,CGCOAPZGDZXRLZ-WFASDCNBSA-N
-394E8DBC7DF936AD_8D5DBE22C62EC91C_6038_UN,N(C1=CC(=CC=C1)C2=NN=N[NH]2)C(C(NO)CC3=CC=CC=C3)=O,HPORHAJDYMWQRR-UHFFFAOYSA-N
-39DC2E6AA8FFF074_6099E2AE35A72338_6031_UN,O(C(=O)C1=CC=C(C=C1)N2NN=NC2=O)C[C@@H]3C[C@H](OC)C3,FWGHMCUSYOFNTE-WVSHTKLVSA-N
-3AA00E8BD9B7D664_7B6081416AC1B528_6029_UN,C1CN(CCN1[S](C2=C(C=C(OC(F)F)C=C2)F)(=O)=O)C3=NC=CC=N3,RAQCRDQIUOVPIK-UHFFFAOYSA-N
-3B60A34C71770E8E_6499CD5D1CEC3B16_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(F)C=C2)CC3)Cl,RANDOPREDCKCBK-UHFFFAOYSA-N
-3EA7029F11536BA4_F95DB4CD05259166_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C3=C2[NH]N=CC2=CC=C3)(=O)=O,CUHDSOCTLOZCCB-UHFFFAOYSA-N
-3F788B8E976AA2F1_4E1874A1465B5506_6038_DP,C[C@@H](NC(=O)[C@@H]1C[C@H]1C2=C[N](N=C2)C3=CC=CC=C3)CO,KTXLFAOWCCOLFA-BYCMXARLSA-N
-42C19BEF7038B82D_3A931B377B7AB60D_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(Cl)C=C2)CC3)Cl,WLRQPKSYHLNXAS-UHFFFAOYSA-N
-43E6A417921AE452_BB7027304F49F9E7_6029_UN,OC(COC1=CC=CC=C1)CN2CCN(CC2)[S](C3=C(N=C(C)C=C3)CCl)(=O)=O,VQHKISVRJNWPLX-UHFFFAOYSA-N
-476439B45FC946CE_C7CCFF5B25F63BFB_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C(=C2)Cl)Cl)Cl)CC3)C,YHNRNHTXSKGZQI-UHFFFAOYSA-N
-483DC475B52AE140_4047528BAC391884_6038_DP,OC[C@H](NC(=O)C2=CC=C(OC1=CC=CC=C1)O2)C(=O)O,UMGOVNYLBNJMCJ-JTQLQIEISA-N
-4A154A6D058D538C_0D35A2B111371553_6009_UN,C1(=CCOC1=O)C2(CC(CC2(O)C3=CC=CC=C3)=O)C4=CC=CC=C4,DCZGOKHATPHEMG-UHFFFAOYSA-N
-4A16BCCE30FD1D6D_1FE474292E72F2A7_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,DZYHIUVVSORYEM-UHFFFAOYSA-N
-4AAAC155E0D6A769_CD3703008BCAA82A_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C(C)C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,ICFLSGDGESLOSN-UHFFFAOYSA-N
-4BB73E9349361FAD_6A3BDF2A96F9376D_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2F)F)CCC3)C,IXAJBNYMIPEIDK-UHFFFAOYSA-N
-4FE04010F586B192_6429AFDDA8304C04_6041_UN,CC4CC1=C(C=CC(=C1)NC(C2=NC=C[N]2C)C3=NC=C[N]3C)O4,UMEUGESMOQZJDZ-UHFFFAOYSA-N
-4FE04010F586B192_74BDBC3895740AA6_7022_UN,CC4CC1=C(C=CC(=C1)NC(C2=NC=C[N]2C)C3=NC=C[N]3C)O4,UMEUGESMOQZJDZ-UHFFFAOYSA-N
-50DC387489DEA53E_3B37EC5D51E3EDD7_6041_UN,C1(=NN=C2COCC[N]12)NC(C)C3=CC4=C(C=C3)C=C[N]4C,LPPCVUBVWHPMOC-UHFFFAOYSA-N
-537C7BBD1BB3374D_205279000CA602FD_6035_UN,CN2CCC(OC1=C(C=C(C)C=C1C)[S](=O)(=O)Cl)(CC2)C3=CC=CC=C3,GFYZNYIGVIOLAQ-UHFFFAOYSA-N
-53A36F754F4F589A_9F36BE46A5109D50_6026_UN,CC1=C(C(=C(C=C1Br)Br)C)[S](=O)(=O)N3CCCN(C2=C(F)C=CC=N2)CC3,HEHCXJUPBXGMCN-UHFFFAOYSA-N
-57319D39B1C13C06_13518AE744EC946C_6029_UN,C1CN(CCN1[S](C2=CC=C(SC(F)F)C=C2)(=O)=O)C3=NC=CC=N3,UJWQARYCCXUHII-UHFFFAOYSA-N
-580888C081937D94_5972E1E1F8C38A3C_6038_UN,N(C1=CC(=CC=C1)[N]2C=NN=C2)C(C(NO)CC3=CC=CC=C3)=O,NUTAIJFMCYGNJI-UHFFFAOYSA-N
-5B84F61B34E42F1B_68ABFE340CA4E0CE_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C)C=C(C=C2)F)CC3,GOPCSPDXACYVNJ-UHFFFAOYSA-N
-5CCD3198CF41F461_E290FE1F4224A494_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=C(Cl)C=C3)Cl)CCC4)F,HARRKJWOFFYZCZ-UHFFFAOYSA-N
-5F305778F368490C_742C31D99CE1888B_6029_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=C(C=CC(=C3)Cl)C4CC4)(=O)=O,OKSPDOUBPFWCSL-UHFFFAOYSA-N
-640BBB2E1B6CF500_A20315186FD36B99_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=NC=C(O)C=C3,OHRKTZLZGNOANW-UHFFFAOYSA-N
-659DE834ED8D35B2_98625E865C57DE07_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N(C2=C(Cl)C=C(C=C2)Br)C3CCC3,QTXRUDSAZCXFOJ-UHFFFAOYSA-N
-66F93E75BC788EE4_9ACC03EAB6DA9CD1_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(Cl)C=CC=C2Cl)CC3)C,UWUYXZKRYTZWSH-UHFFFAOYSA-N
-6B86CE4E0EC099C6_07F9108B03F9C479_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C(C)C)C=CC=C2)CC3)Cl,DWFJKHGCXNCDDK-UHFFFAOYSA-N
-6CA6672E3F16D813_8F447ABA0DE5D8B2_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N(C2=C(Cl)C=C(C=C2)Br)C3CCC3,DAJPGWNLIUJVEU-UHFFFAOYSA-N
-6CB4AD3ED84E3E48_C92C16C8D24976FF_6035_UN,O(C1CCN(CC1)C2=NC=C(C=C2)Cl)C3=CC=CC(=C3)[S](C)(=O)=O,DTUYSBLCRPJPKX-UHFFFAOYSA-N
-741F4D39BF7B50B1_F2630E41475C1839_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N3CCC(CC2=CC=C(C(C)C)C=C2)CC3,GUTNPHUKCNEXBA-UHFFFAOYSA-N
-7A5491274BD0E318_7401C0D1712B5B5C_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)F)F)CC3)C,MIVNVCWOKWYWIW-UHFFFAOYSA-N
-7CC4B09F20FED8D7_C4B1131BD0AED889_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2[N]3N=NC(=C3)C4=NC=C[N]4C,KXTXMYOBEBJUCN-OAHLLOKOSA-N
-7EB8C08B5ABA6AE5_BC6E8932EA6099D9_6041_UN,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)N[C@H]3[C@H](COC)CC3,KBYYDPMUXDZYQY-RMTCENKZSA-N
-84663EB0F7961657_49FF9348CD1E9DCA_6039_UN,OC(=O)C1=C(C=CC(=C1)NC(=O)OCC(F)(F)F)OCC(=O)N2CCNC2=O,PZKCTIFRIRDTDT-UHFFFAOYSA-N
-853020A483E162B8_D556BD3908D5DD1D_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CN=C(C)C=C2)CC3)Cl,ZKFQPLNEYYUSPL-UHFFFAOYSA-N
-892FB71FC7943A01_747B651A64B86D29_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4)Cl,ZAZGWCQJFBHIPD-UHFFFAOYSA-N
-89C7DB5E581D7D52_FE9A2035B44E64A0_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=CC=CC(=C3O)C,LDOIMFXCBVFTLS-UHFFFAOYSA-N
-8C3C5BF31133688B_157C1F21295C3447_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C(C)C)C=CC=C2)CC3)Cl,MQZMATFHIPOLGT-UHFFFAOYSA-N
-8DB23AABEA311EA6_772AD114D3537A04_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3)Cl,VIUDSKAKXFOLFO-UHFFFAOYSA-N
-8EE97A506F69A3ED_CB0A782052149884_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)NC(COC)C#C,YHUFYPQAKINCAV-UHFFFAOYSA-N
-8F00FE82AB1E1303_272F686EBD5EDE43_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=C(C=N2)F)(=O)=O)C3=CC=CS3,HIIADLXEDDXSOL-UHFFFAOYSA-N
-90EADE7123AE260E_F1AAEC4B49042666_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)CCl)(=O)=O,ZQXKIUMUWOIKNL-UHFFFAOYSA-N
-9243792B5D97FD6A_C6BB4F3D5DED3CEA_6027_UN,C1CC(CCN1[S](=O)(=O)C2=CC=C(C=C2)Cl)[N]3C=C(C=N3)C4=CC=CC=C4,AHPSIHRJDOBTIW-UHFFFAOYSA-N
-9243792B5D97FD6A_C6BB4F3D5DED3CEA_7015_UN,C1CC(CCN1[S](=O)(=O)C2=CC=C(C=C2)Cl)[N]3C=C(C=N3)C4=CC=CC=C4,AHPSIHRJDOBTIW-UHFFFAOYSA-N
-960FADAD778ADDD4_6054351AC9D9AEFF_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=CC(=C2)F)F)CC3)C,NDAHHTYGCXYQFS-UHFFFAOYSA-N
-97C980C80D3C4985_43E997CAF836B5A0_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]2CN(C[C@H]2C)C3=NC=CC=C3)=O,FGWFKZXTSCIFKV-CHWSQXEVSA-N
-9A4990D73AA247D4_866B13E6E5173C7B_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C)C=CC(=C2)Cl)CC3,VMSKRUAGPIWFPV-UHFFFAOYSA-N
-9A7B8291BD8075A5_65117F52B1EFF192_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2F)F)CCC3,QCOFJMPPZSOHEK-UHFFFAOYSA-N
-9F054B0F3F205EDA_6F213B7EDAF16002_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(Br)C=C2)CC3)Cl,ZVUZOOZDFBQNAB-UHFFFAOYSA-N
-A0DEB3D6E9E999ED_9B372D889B5CAED5_2201_UN,CC2=CC1=NC4=C(C(=C1C(C2)C3=CC=CC=C3)C)C=N[N]4C,JIKQPAZSWURUMM-UHFFFAOYSA-N
-A2F93F115D717380_5E361FEEC376784F_6038_UN,C[S](=O)(=O)CC(OC(=O)C1=CC=CN2C1=NCC2)C3=CC=CC=C3,MUOWWDDNDIJKHI-UHFFFAOYSA-N
-A6C38E71FF262AA4_FA862322792A7A82_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5)Br,FYWQGIVBSLPFEW-UHFFFAOYSA-N
-A6D62E40DD8F4074_C6A99BA08F8CFDF7_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(OC)C=C(C=C2)OC3=CC=CC=C3,SSCVLTKNZLNRAN-UHFFFAOYSA-N
-A7E325031BDBF10A_4DB53211CCDE363D_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,RTOUOIGUERPKGP-UHFFFAOYSA-N
-A9F885CE03F5FE31_544213051E3AB002_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(CC)C=CC=C3C,HJMMZCMJXVPEOC-UHFFFAOYSA-N
-AA53A827771F83EB_E9184818177D9E0E_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=C(Cl)C=C2)Cl)CCC3,SODNHBOLFONDEM-UHFFFAOYSA-N
-AB86E29CB5386FF0_561291FBD040128B_6038_UN,N(C1=CC=C(C=C1)C2=NN=N[NH]2)C(C(NO)CC3=CC=CC=C3)=O,ZYAANBGABIFZFO-UHFFFAOYSA-N
-AD9C32D47724D0E5_ABEEF0653D694801_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(F)C(=CC=C3)Cl)CC4,FCQDMIKSGBLGAK-UHFFFAOYSA-N
-AEF1469EB37B7158_4656A682FAC7C1A2_6026_UN,FC1=CC(=C(C=C1)Br)OC2=CC=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4,DQFOXTFSSRGHOJ-UHFFFAOYSA-N
-AFA6CEA254EE7122_FA3ABA81F5F6F419_6029_UN,CC1CN(CCN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=CC(=C(C=C4)Cl)F,GLUOGTPABVSMSQ-UHFFFAOYSA-N
-B25D8AABD33BBC86_799329AE16D1E6C7_6038_UN,N(CC1=CC(=NC=C1)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C5=CN4CC[S](=O)(=O)N=C4C=C5,RJBSRYRHYACJMJ-UHFFFAOYSA-N
-B2DA7C95775ACAF2_CBD216F5D8D491F2_6038_UN,O(CCCCC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,KGHKTGFABQGOFV-UHFFFAOYSA-N
-B2E53B006058DDDC_AC6EBFA6B3A9B0D2_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=C(C)N=C(C=C3)Cl)(=O)=O,NHHVZKQUSAMMDI-UHFFFAOYSA-N
-B57155FF077928CF_6C9D30548FDD0411_6029_UN,C1CN(CCN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,OUHKKQNLJSCMAB-UHFFFAOYSA-N
-B6055BF8F9DB3A8D_96134545B189558B_6041_UN,CC(=O)N1CC[N]2N=CC(=C12)NCC(C(OC)=O)CC3=CC(=C(C(=C3)F)F)F,UIRGDDHYUHFXAW-UHFFFAOYSA-N
-B6AB22D0E28B42D0_7647658C93CEDE8A_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)C2=CC=CC=C2)=O,LLRYKEJRDAHJMQ-UHFFFAOYSA-N
-B79162F24F1E391E_63194CD0A26FC95C_6029_UN,OC2(CC1=CC(=CC=C1)F)CCN(C2)[S](C3=C(C)N=C(C=C3)Cl)(=O)=O,HAQCXRLZOOJKHG-UHFFFAOYSA-N
-BBB7441A9D8CD1CB_9DB2710E81835C79_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)Cl)Cl)CC3)C,UQZSIMAMYRLQCP-UHFFFAOYSA-N
-BE49FAB42B3BDF98_00907167B04991A3_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)F)F)CC3,PIRSEFDFUCLQRF-UHFFFAOYSA-N
-C4EAAB08CB7FA1E2_EE701BE431F10679_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCCN(C2=CN=CC(=C2)F)CC3)Cl,DTRCVCVMZIVIFO-UHFFFAOYSA-N
-C8780C6D574D74EF_B42679807FCACE1F_6041_UN,CC(C)C1=NC=C([N]1C)NC2C3=C(SCC2)C=CC=C3,GJYIPUVUIXYARL-UHFFFAOYSA-N
-C92D4C50CA54C1AA_ABAA474C32DF94A0_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4)Br,BPYZBUSJAOTDBI-UHFFFAOYSA-N
-C9B6688F7288187A_1D63A917213217CE_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(C)N=C(C=C3)F)(=O)=O,FZKHZPSIGQDNBX-UHFFFAOYSA-N
-C9FE4904195B643F_B2AA3A2BC350795F_6029_UN,ClC1=C(C(=CC=C1)Cl)N2CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,QAZSGNJJHONGJG-UHFFFAOYSA-N
-CC7FC65F3B176FBD_57E5734AD69FC557_6026_UN,CC(C)C[N]1C=C(C=N1)[S](=O)(=O)N3CCC(C2=C(F)C(=CC=C2)Cl)CC3,WIGLYSCSDPJDSJ-UHFFFAOYSA-N
-CD5C5356B4D33387_16857D525CE4B0CD_6038_UN,O(C1=CC=CC=CC1=O)C([C@H](OC)C2=CC=CC=C2)=O,LLRYKEJRDAHJMQ-OAHLLOKOSA-N
-D01ED1C13687CE95_BCDF7194035F3A36_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4)Br,QMUYAEUMHKRSBR-UHFFFAOYSA-N
-D16D6B3081A93CBD_EDF315FA48AAD414_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5)Br,GRGCVXCIMKVAIM-UHFFFAOYSA-N
-D1BC931DBF267186_FBF7F4A38D92AC18_6038_UN,CC3OC(=C(OC(=O)[C@]1(F)C[C@H]1C2=CC=CC=C2)C3=O)C,GEZBXAWXAIWVKU-SBBNOCLBSA-N
-D6DBFF5E59109E3B_B89B855735D617A0_6041_UN,C[N]1C=NC2=C1C=C(C=C2)NC(C)C3=NN=C4CCC[N]34,IGRHJADDKWROOO-UHFFFAOYSA-N
-D733732EA9A03589_0A086966DC1733EB_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C([C@@H](OC)C)=O,VFWPBJYSLAHSIT-VIFPVBQESA-N
-D9ABBE75C9AD4C50_440F3E6A23BDA8BE_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N3CCC(CC2=CC=C(C(C)C)C=C2)CC3,SGNZFNTZUUSARI-UHFFFAOYSA-N
-DBB42471F2AA75C9_2F8AE2D9B34C55C1_6029_UN,FC(C1CCN(CC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=C(C=CC=C4)F,MJNCYHUAQWVFRF-UHFFFAOYSA-N
-DDFEE8635EDE79F7_A0B56CF8C9C0C892_6031_UN,O(C(=O)C1=CC=C(C=C1)N2NN=NC2=O)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,DIFNFNSDPCCHFR-UHFFFAOYSA-N
-E018D8B395F024C3_6F135A150418BAFA_6041_UN,CC3CC1=C(C(=CC=C1)NCC(C)C2=NN=C[N]2C)O3,GDYQESHVTSKTAD-UHFFFAOYSA-N
-E05733A20CCD6835_8451667F0A0B48A5_6038_UN,CC(OC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)C3=NN=N[NH]3,AGFGYMWFIWEMHH-UHFFFAOYSA-N
-E327DF9B324639FD_3E9E8D7989887F05_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Br,WKIXQRRJOMGGAQ-UHFFFAOYSA-N
-E4674F6DFF71E469_327AB38B26C28ED1_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3CN(C)C(C3)=O)=O,MCCMBQZGTZVSDC-UHFFFAOYSA-N
-E685B21B883D6136_EFA39E51BEA7D6C1_6029_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O,ZPAUZQONCAIQDO-UHFFFAOYSA-N
-EA44812F65694551_CFC33E141E3866E3_6038_UN,CC1CC(NC(CCC[Si](C)(C)C)=O)C(=O)N1C2=C[N](N=C2)C,APBNMJGRFLYWBK-UHFFFAOYSA-N
-EDB48A58A78B5EF7_26921BFAF787A04A_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NC3C(N(CC3)CCF)=O,CUSOVVNTDZFTCL-UHFFFAOYSA-N
-EF90B8960C5732D4_021B7289EB3021EB_6038_UN,CN(C)CC1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,HOACDBAMWIOHCL-UHFFFAOYSA-N
-F1CC5928B3410C81_30362720D67901D4_6035_UN,CC(OC1=NC=C(C=C1)[S](=O)(=O)F)C2=CC=C(C=C2)C3CC3,VTSFPWOPORWGIE-UHFFFAOYSA-N
-F28795BA8005CCD1_24F45F5638307649_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)OC(F)F)(=O)=O)C3=NC=CC=N3,GVQZQTHYCBUIGN-UHFFFAOYSA-N
-F4DFE675249A89FF_3BBEF22D6905078E_6029_UN,C1CN(CCN1[S](C2=CC=C(C(F)F)C=C2)(=O)=O)C3=CC=CS3,QEUAXYPRXNYMBQ-UHFFFAOYSA-N
-FAB8E9ED788BC323_E1A07534AFAAEED1_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=C(CC)C=C2)Cl)CC3,BUPKCOMJVOOSKO-UHFFFAOYSA-N
-FC9960E87811549B_72E78F47F5F9E337_6029_UN,BrC1=CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,YKAWSQVOFICUFO-UHFFFAOYSA-N
-FE58AA923EA169F7_CC745325A23870C3_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(F)C=CC=C2F)CC3)C,MLHWPPOZAGHXOD-UHFFFAOYSA-N
-00653874D436D198_248C6CA4C6FCC177_6029_UN,CC1=CC=C(C=C1)C(N[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4CC4,CIESLXIAMWWSMO-UHFFFAOYSA-N
-031A15B58EDEC54E_664BF586430EA651_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](N(C)C)(=O)=O)CC3)C,UUGPRGSXIFRCSK-UHFFFAOYSA-N
-06C795C216018005_A169183A16127F45_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3=CC(=C(C)C=C3)N4CCOCC4)=O,KCHGGDBCNLWFJF-UHFFFAOYSA-N
-0770BDE052E23A39_9AD0F690F1360A86_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=C(N3CCCN(C(C)=O)CC3)C=CC(=C4)F,BXBIFOOCIBWBSQ-UHFFFAOYSA-N
-0775D0E7FBA86710_BBBD4E61C1FC5ACE_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=CC=C(C=CC(OCC)=O)C=C2)=O,ZTBYWIVPZJVGHX-UHFFFAOYSA-N
-080DE7FDDFD289B5_EE0B3763195CE569_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(CCC3(C)C)C#N,VYEZANHNTZHWGT-UHFFFAOYSA-N
-0820D47086E50987_79CB844FB5A8E5A1_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C3(C(N(C(C)C)C)=O)CC3)=O,SETTZYSBFHLAIF-UHFFFAOYSA-N
-08F58C7552ECC801_925EDDE5FAB6B2EC_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=C(CN3CCN(C)CC3)C=CC=C4,NCWXZWAYSIGGPV-UHFFFAOYSA-N
-09093F640A068A4D_67EEF1F73ABF6315_6041_UN,COC(=O)CC1=NC(=NC=C1)NCC2OC3=C(C(C2)=O)C=CC=C3,POGRSHBGCGHLTR-UHFFFAOYSA-N
-0D4A6AD9BEEA58AE_620905B71036D158_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,BOPMCUXCKBYURR-UHFFFAOYSA-N
-0E7EAE7308FB64D0_956695159549C4CD_6038_UN,CN(C)CC1=CC(=CC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CTSWAQRMDREEOM-UHFFFAOYSA-N
-0F6466A4BB0B2987_7799A34875967366_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3CC3)C4=CC=NC=C4,SEPUDBLVEBMECA-UHFFFAOYSA-N
-117CF6FF1E5D1BEE_C674080030B51193_6039_UN,CC1=C(C(=CC=N1)C(=O)O)OCC(=O)NCCC3=NC2=C(C=CC=C2)S3,XVGUFLKQIKKKRC-UHFFFAOYSA-N
-12216190CFD29C7F_0828DC2223BA8FF5_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3C(C4=C(CC3)C=CC=C4)=O,NMLJPPIPLSKCLJ-UHFFFAOYSA-N
-156AAFA35FCB6795_88250B0071426EB3_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)OC3=NC=CC=C3,IQTASVILIZZJCV-UHFFFAOYSA-N
-15776551FC82E804_26CB4D6B272CF64C_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4,WHRKRHVEHYAZRH-UHFFFAOYSA-N
-1649C3EE5ECB759F_EF1F08C3A2F0A2D9_6029_DP,N(C(C1CCCC1)C2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,MZUOUNWHTUAOIQ-UHFFFAOYSA-N
-1727C93AF95302A5_68543999E36F8125_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=C(C=C3)N4CCCC4,OVNYZHNKOOODTJ-UHFFFAOYSA-N
-1918C9C48F2FFA84_41DEA4817A037E57_6038_UN,N(CC(=O)C1=CN=CS1)C(CC(C(OCC)=O)C(=O)C)=O,TZWRUWLFGYYGTC-UHFFFAOYSA-N
-19EF80A5CF4DF6DC_A853C55EF8DBB399_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,WQFIHUGEERIPCH-UHFFFAOYSA-N
-1A6E67436C15D95D_14EF2C45257B61AE_6038_UN,CN(C)CC1=CC(=CC(=C1)C)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,KFCCXZRWPHPKLS-UHFFFAOYSA-N
-1D9D47BF84381853_6E0BDD6E909EF609_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,XRAKORPHFYNDCC-UHFFFAOYSA-N
-1E5FDDAF288CEED8_82A08287C4CB7D38_6038_UN,C[N]2N=C1C=C(C=CC1=C2)NC(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,VVRTUUKJHQBNSK-UHFFFAOYSA-N
-1F00566B6A05EF56_60D6F85F6A76891A_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)[NH]N=C2)(=O)=O)C4=C3C=CSC3=CC=N4,XNKAMSCSKUVQST-UHFFFAOYSA-N
-1F56B75BA2134174_FE3C9773BAE2E03B_6029_UN,CC1OC4=C(CN(C1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C=CC=C4,RIJLVNVADTYQDE-UHFFFAOYSA-N
-1F6C2A75EE40E364_2F58A4B63EA9601D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3CC3)C4=CN=CC=C4,ZZCPERZRILAWEX-UHFFFAOYSA-N
-1FBB446960728839_72344538875EC650_6038_UN,N(C1=CC(=CC=C1)[S](=O)(=O)O)C(=O)C3=C2C=C[N](C2=NC=N3)C4CC4,WRXKFMZYMAHIGE-UHFFFAOYSA-N
-2166EBB71F6C73FF_F003E375BDDA1524_6038_UN,CC1CC(OC(C=C([P](CC)(=O)O)C)=O)C2=NC=C[N]12,CNGMISXOGOCQLQ-UHFFFAOYSA-N
-21ADE29FC2FCFF9C_303911615DAD9787_6038_UN,CN(C)CC1=CC(=CC(=C1)C)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,DUDIAGTYUQCMAF-UHFFFAOYSA-N
-22AA1420276A2570_098B39C4DFAB3D98_6041_UN,OC(=O)C1=CC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)C)N5CC[N]4C=CN=C4C5,HGIBFQGKJFEHQY-UHFFFAOYSA-N
-233AEB8DDFF191CD_28677D6ACE5BA663_6038_UN,CC1=CC(=CC(=C1)OC([C@@H]3[C@@H](C2=C(C)[N](N=C2)C)N(C(C3)=O)C4CC4)=O)N5CCCC5=O,CNIFJNDIVJZPPD-CVDCTZTESA-N
-2462C7A06F030395_3ABD28992DA714C2_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C=CC(OC)=O)C=C2)=O,ZBYYPTIQMLKICO-LBPRGKRZSA-N
-26B447214AA01501_3BFEA0632C2781E5_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)CC2=CC=CC=C2)=O,JXRQLXNUCIMMKT-UHFFFAOYSA-N
-2762F2D57356BFAF_7FBFB860A77DBC0C_6038_UN,CN(C)C(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)C,ZGABGARDVHFQDA-UHFFFAOYSA-N
-27B420684A3D423D_5168EA4A5B0AD6C1_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,NTSCXFRXMVPQQE-UHFFFAOYSA-N
-2824339D17091C17_555CBE39CA42AC0D_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3CN(C3)[S](=O)(=O)F,ILLGMOPINFBNFE-UHFFFAOYSA-N
-28B8435BE966B536_13015E84CEFCD8B4_6029_UN,CC1CN(CCN1[S](C2=CC=CC3=C2N=C(Cl)S3)(=O)=O)C4=CC=NC=C4,CRBXSKWBRFRMQR-UHFFFAOYSA-N
-28E15E09E97D942A_86C6A06F940DAC16_6039_UN,CCOC(=O)C2=NC1=C(C=C(C=C1)OCC(NCCCC(OCC)=O)=O)S2,LBSUIEBJQNJQKJ-UHFFFAOYSA-N
-2996EDD49DB83366_80B1E710843F8E03_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCN(C3=C(F)C=C(C=C3F)C#N)CC4,MHJBEHHWIDCUOM-UHFFFAOYSA-N
-2C0FAFD4A6E0E782_4219AB663D2C8D91_6006_UN,FC1=C(C=CC(=C1)C2=C(C)C=CC3=C2C=CC=N3)C(=O)N4CCNCC4,UJBAFGGUBFCPDJ-UHFFFAOYSA-N
-2CFA144A076FE836_A013F6A9B7D972A2_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=CC3=C([N](C)C=N3)N=C4)=O,LWDZXQNGLJNBDV-UHFFFAOYSA-N
-2D36F26C469C933C_11FED8C176660AE2_6029_UN,C[N]1C5=C(C(=C1)C2N(CCC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C=CC=C5,MXOKBWKEBFMELC-UHFFFAOYSA-N
-2F8D2BB8E6263039_417955EE296B914D_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(C)C=CC(=N3)C#N)(=O)=O,MGVBOQVKSNJDSC-UHFFFAOYSA-N
-30E471B01BA6733F_41CB6436F729BEB8_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCC(C(OC)=O)CC3=CC(=C(C(=C3)F)F)F,KNWRFOLLRQJXSH-UHFFFAOYSA-N
-31E296E21B7BE838_99ED9D27FF2B624A_6005_UN,OC1=C(C=C(C=C1)C2=CC(=C(OC)C=C2)C)C3=CC=CC=C3,PDGBAXQAWVUFND-UHFFFAOYSA-N
-329454A7F82ABA8A_CEDDA0FE7F994C8A_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCC3=CC=C([Si](C)(C)C)C=C3)C,PFCKFFUBZIARGL-UHFFFAOYSA-N
-33551F60D62F9509_C73B7CA8C428B636_6041_UN,OOC(=O)C1=CC(=CC=C1)NC3=CC=C(C2=CC=CC(=C2)C)C=C3,YXLSDKSLHKSMTJ-UHFFFAOYSA-N
-3382D14A8D3B6959_12B0C4239D02DA31_6038_UN,O(C1=CC=CC=CC1=O)C(C=CC2=CC=CC(=C2)OC)=O,PBMJWHCKJKOWMM-UHFFFAOYSA-N
-33A0B65FC7661A02_ED100347B61F05F8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3CC3)C4=CC=CC=C4,LRXSMFLFDPAQMW-UHFFFAOYSA-N
-351AA0ACB2A24259_AB58AF91C4F480D7_6041_UN,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC(C(OCC)=O)C2=NN=N[NH]2,SDHFVTYREJORSA-UHFFFAOYSA-N
-366E3DA1847D1518_13D2078A6B83E9D2_6036_UN,C(C1CCC1)(C2=CC=C(C=C2)Br)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,XYOILJUZPILVHP-UHFFFAOYSA-N
-372DCBC750F616AA_56022904EA2D137A_6038_UN,O(C1=CC=CC=CC1=O)C(C(CC)C2=CC=C(C=C2)OC)=O,WEDRFFXCFXCEHF-UHFFFAOYSA-N
-3B3D80E713059663_5BB097109CF2FDC6_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C(C)N3CCNCC3=O)=O,YDTKUTVKRHYKPV-UHFFFAOYSA-N
-3BDFB8F47BD6A046_460DA88C31B9A3FF_6029_DP,N#CC(=C1CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,SGULCCRAZAVBDP-UHFFFAOYSA-N
-3CD2FD3F34EBC743_70221DA394D137AD_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,DJFQBUDZGQIBLB-UHFFFAOYSA-N
-3CD9C13C739A0935_B5F3DB777C3F8802_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(OC)C=CC(=C2)C)=O,LWQLUEMDAVEBPZ-UHFFFAOYSA-N
-3D064967B8F397BF_9E0D742998CF98A1_6029_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)[S](C3=CC=C(N=C=O)S3)(=O)=O,BJXDATJDXPFVAZ-UHFFFAOYSA-N
-3D35DC960DA5FE9D_9B33E33218BD91DD_6038_UN,CCC(CNC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)OC,YZPXGEBLPKAKBT-UHFFFAOYSA-N
-3D6C49D11D3B763B_BD4E98CF45EDFE8E_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NCC(C(OC)=O)CC3=CC(=C(C(=C3)F)F)F)C,BUPSMKMLIOQNCL-UHFFFAOYSA-N
-3F7B9A29CCCE36CF_B7BC7C75B00EA0D7_6029_UN,C1CN(CCN1[S](C2=C(O)N=CC(=C2)C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,QWRZYVVTDZKMIZ-UHFFFAOYSA-N
-3F836E0A0F46D3A2_3EE6878AD3965B49_6038_UN,CN(C)CCOC1=C(C=CN=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,PEMNQVYKMNLLFI-UHFFFAOYSA-N
-4062BBE8C7190B56_5C6F8B13EB4FEF17_6038_UN,CN(C)CC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WKTOCOYHFHNIAC-UHFFFAOYSA-N
-41A1AAA17E512E3F_B06D27732DE7BD36_6028_UN,CC1CN(CCN1[S](C3=NC2=C(C=CC=C2Br)S3)(=O)=O)C4=NC(=CC=C4)C,IQFBRUYGKLKWLE-UHFFFAOYSA-N
-41A892C8DB584C02_C4DB52D5578FFE36_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3=CC(=C(C=C3)N4CCOCC4)C)=O,DSYHABDLIUOEHX-UHFFFAOYSA-N
-453151D588617B59_81FB21A10A3355AA_6041_UN,FC1=C(C=C(C=C1)C2=CN=NC=C2)NC(CCCCC)C(=O)OC,TWQCXJMKSCFHGF-UHFFFAOYSA-N
-4576087CD8C803E7_216324AF2FC225E4_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)N(C)C,BLTCKLBUURCAGO-HNNXBMFYSA-N
-480E3DB26300830E_874E109D1BD40258_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3C[Si](CN3)(C)C)=O,PFYGUUBGEBTGPA-UHFFFAOYSA-N
-490DF2F62E5E80E1_AF01D3D4D2AB7325_6038_UN,CC(OC(C1=C(OC)C=C(C=C1)OC2CC2)=O)C3=NN=N[N]3C,LOQWKKGENFCARF-UHFFFAOYSA-N
-496C0BB332E86420_48E2293DF69B1020_6038_UN,N(C1=C[N](N=C1)C2=C(C=CC=C2F)F)C(C3=N[NH]C(=C3)CCCCC)=O,VKAOVSXKWGMFBX-UHFFFAOYSA-N
-4A44C5919AFA35A4_CC08BBF2783F28BC_6038_UN,N(CC1=CC(=C(C=C1)Cl)F)C(C2=N[NH]C(=C2)CCCCC)=O,NHPCDWFSSARFFY-UHFFFAOYSA-N
-4A9254F06340AC83_ABF3714EF9FB01F3_6029_UN,CC1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=NC(=CC=C3)C,FUNFOBBMMKLEKB-UHFFFAOYSA-N
-4BC7567C905EA9F7_0F1E21B51CFAD414_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)C2=CC=C(C=C2)F)=O,MNUNDMJRVVAQMK-UHFFFAOYSA-N
-4BFF78CF73371666_9E77804FF7B4E461_6029_UN,CC1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=NC(=CC=C3)C,OFERGIHIRNUXRQ-UHFFFAOYSA-N
-4E8C3B9AEE8AD5C8_BFF626FC23C94357_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C([S](C)=O)C=CC=C2C)[N]3C4CCCC4,VHHNCDMCHPYAMU-UHFFFAOYSA-N
-4F798CA3ACE1B731_A7EFCF160F8067CA_7017_UN,N4([S](=O)(=O)C2=C1C=CN=CC1=CC=C2)CCN(C3=NN=C(Cl)C=C3)CC4,MBFVNOAXHPGBMW-UHFFFAOYSA-N
-4FE95779511AF397_2530AAFBF46A8F3B_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C4=C3SC=CC3=NC=N4,KLDORDLDADWBKK-UHFFFAOYSA-N
-509CC3177F15A255_93C14910F286494B_6029_UN,CC1CN(CCN1[S](C2=C(C(F)F)C=CN=C2Cl)(=O)=O)C3=CC=NC=C3,ILPJILAJTXVLPT-UHFFFAOYSA-N
-5137A7EC30E3BA7B_E0917FF42EF32837_6041_UN,CC1=C(C=CC=C1N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C)N=C=O,NHCVXGRTZNARCL-CVMIBEPCSA-N
-52CAF8B6EA864723_14D42C516347E60C_6036_UN,C1(CN(C1)C2=NC=C(C=C2)Br)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,KOQOJKJVURZZFH-UHFFFAOYSA-N
-53F496304360791C_435B6D64C9386048_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=NC=C2)CN(C)C)=O,FOQGVAWINPURNL-NSHDSACASA-N
-553757FAF2825A31_6A5170D50DA6C425_6035_UN,CCC(OC1=C(C(OC)=O)N=CC=C1Cl)C[N]2N=NC(=C2)CN,VKLZHRQTJINPKF-UHFFFAOYSA-N
-55DBA8033DCE2A4C_0D10207B92CF5378_6029_UN,OC(C1CCN(CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,KDLOUIJEHKGOGN-ZQRQZVKFSA-N
-5651A133F14B242E_370952F0C86E8A4B_6038_UN,NC(=O)N2CC(OC(C1=C(CC(OC)=O)SC=C1)=O)C2,LPICKRCRMOEFBJ-UHFFFAOYSA-N
-56DB6CC40F2FD0C1_8B218D7DD4EABA5C_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=C(Cl)C=C(C=C3)C4(CCC4)C#N)(=O)=O,SKLDQJSFWMPMMV-UHFFFAOYSA-N
-593EA7FD0113945F_5A00550A0347AA88_6038_UN,COC(=O)C(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CSC=C2,QKOFXXJCKKCKNZ-UHFFFAOYSA-N
-59BF986D97801F3F_0FE43449E5FFDEF3_6005_UN,OC1=C(C=C(C=C1)C2=C(OC)C=C(C=C2)C)C3=CC=CC=C3,RWDGUDSBOKVMEC-UHFFFAOYSA-N
-59FE04AAD10D95EC_7DFDB6BD0377F6F5_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC3CC(C3)(C#N)C4=CC=CC=C4,ICJRCBLUBUYTAU-UHFFFAOYSA-N
-5B47FAFA341FB5C8_614D1042505FC4B2_6029_UN,CC1CN(CCN1[S](C2=C(Cl)N=C(N=C2)C3CC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,RCVJQYOYHZWKAE-UHFFFAOYSA-N
-5BA2F865F2D5E9DC_14C00621A9D5213C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[S](=O)(=O)N2CCCC2)N5CCC3=C(C4=C([N]3C)C(=C(C=C4)Cl)F)C5,DSTMEDUDOXCEQQ-UHFFFAOYSA-N
-5CBFB67960031C7B_2EFD5D61E4759E13_6038_UN,C[C@@H](COC(C1=C(NC(OCC)=O)SC=N1)=O)N(C)C,COSLUHIWLFCQIP-QMMMGPOBSA-N
-5D17B51920AEFC15_B597623EA1D546CB_6039_UN,O(CCN1C(=O)CNC1=O)CC(NCC(NC2=C(OC)C=CC(=C2)C)=O)=O,IDPXBEJLNXBMKD-UHFFFAOYSA-N
-5DDB27EF9B8E7855_BDDA8216BE9E7889_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CN(C)C)[NH]2)=O,FLTKFGXDATUJLL-SNVBAGLBSA-N
-5EA513C3030B6B77_B9D1411FB83CA852_6029_UN,CC1OC4=C(CN(C1)[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C=CC=C4,SIQZCAIOFQMZHZ-UHFFFAOYSA-N
-5F2CE1D2AEBF582D_34F6679B64DBA569_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=C([S](N(C)C)(=O)=O)C=CC=C2F)[N]3C4CCCC4,ICDRWRCDDAOTGM-UHFFFAOYSA-N
-5FD6E89E1EFC0F40_EC1AE815535B331A_6038_UN,C[N]2N=C1C=C(C=CC1=C2)NC([C@@H]4[C@@H](C3=C(C)[N](N=C3)C)N(C(C4)=O)C5CC5)=O,QHZNLCRYZBTBJZ-JXFKEZNVSA-N
-628D3A88CDB9844F_08402404426A023D_6038_UN,N(CC1=C(C=CC=C1)F)C(C2=N[NH]C(=C2)CCCCC)=O,PNPIRDWAYSQGQV-UHFFFAOYSA-N
-632B0598EFDF9A33_71368355EAEC4281_6041_UN,CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NC3=CC=[N](C=C3)=O,BZXBUUMQENHIEI-UONOGXRCSA-N
-650D9F64F4944C35_213B2703F4BFF163_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C4=C3SC=CC3=NC=N4,CPKSNXZDGTWPHS-UHFFFAOYSA-N
-68A4B8CDC3370FA5_BA8904509F2430AA_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C(C)(C)C3=N[NH]C=N3)=O,KOESUIIGRQGKLH-UHFFFAOYSA-N
-69A063263222C1F6_EA84CED3E56EC1A6_6038_UN,CN(C)C(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CN=C(N=C2)N3CCOCC3,GWDARXSUZQHXLX-UHFFFAOYSA-N
-6CD22A3FD7615CCE_EB8CE348918976FF_6029_UN,OC1(CCN(CC1)[S](C2=C(C(C)O)C=CC=C2)(=O)=O)C3=C4C(=CC=C3)C=NC=C4,KXTBZRHJMNLIKO-UHFFFAOYSA-N
-6F9500812D13373E_CDD1F0523F1A537C_6038_UN,NC(=O)N2CC(OC(C1=C(NC(OCC)=O)SC=N1)=O)C2,ARFUEQFZPWKOFI-UHFFFAOYSA-N
-704F98B56A4156AA_9BD45A9A64174650_6041_UN,FC1=CC(=C(C=C1)NCC2(C(OC)=O)CC=CC2)C3=N[NH]N=N3,VWXPZRPSGCCBRG-UHFFFAOYSA-N
-7240A725E641288F_D20BFFB31E94E28C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C3CCC3)C4=CC=NC=C4,CMOVIDQKGGFWBR-UHFFFAOYSA-N
-7399D47F455430A8_D67B7559D49F1615_6038_UN,CCOC(=O)C[N]1N=CC2=C1C=C(C=C2)NC(=O)C3=NC=NC(=C3)N4CCCCC4,LSBGDTVMQZUYMM-UHFFFAOYSA-N
-7641FEE446770465_332D9ED21D9B9E55_6038_UN,CCCC(NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)OC,PLOFYHWAMUMCDI-UHFFFAOYSA-N
-778F4F69BB51FFE1_DDB20C160FC7BA0A_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C([Si](C)(C)C)C=C3)C,ISCWALOQEDXTQU-UHFFFAOYSA-N
-78BFAA2C5B78342B_3BE7847E32236E3E_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,WOXVATYUCMMIAQ-UHFFFAOYSA-N
-790BBF0A42D5BBBA_22697D1DEAC518A3_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC(=NC=C2)CN(C)C)=O,FOQGVAWINPURNL-LLVKDONJSA-N
-7CF97A96C43D9769_0D53A9AB2F021EFD_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C)C,ADPCDKCCMUOXCY-UHFFFAOYSA-N
-7DE52C1457AA5DF5_6192F927C5A83991_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,JTRAXIKXDDLKOW-UHFFFAOYSA-N
-805A4F858803EBAF_5AE01E06862B120B_6041_UN,OC(=O)C1=CC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)CC)N5CC[N]4C=CN=C4C5,HQSZFIDXJUBQTK-UHFFFAOYSA-N
-80E30B505E9F0535_D7F941417FE414B3_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)(=O)=O)CCCC3)C,OWQCVWOCQGAQTI-UHFFFAOYSA-N
-81BD6D382EBE33BB_7F5D9A0869778FDE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC=CC(=C2)OC)(C)C)=O,XMNIKSXTOSQUOL-LBPRGKRZSA-N
-821F2FAD6529E079_34D43766E7D442B3_6031_UN,O(C(=O)CCC2=NC1=C(C=CC(=C1)Br)S2)CC3=C([S](C)(=O)=O)C=CC=C3OCC(F)(F)F,KFWDVCLPDKIRCV-UHFFFAOYSA-N
-85EFD6A425839977_35B126A2496108E0_2267_UN,O=[S](=O)(NCC#CC1=CC(=CC2=C1[NH]N=C2)F)C3CC3,UXLURKRPQAYDLI-UHFFFAOYSA-N
-87885CBC6D175F98_A6BDADF7BCA41E1C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)C4CC4,HDRCKNKNVCQNOU-UHFFFAOYSA-N
-8B2850660C462055_12282E994779C999_6041_UN,OC(=O)C1=N[N](C2=C1CCC2)C3=C(C=CC(=C3)NC4=C(C)[N](N=C4)C[Si](C)(C)C)F,MCMBRKFBVUMMFG-UHFFFAOYSA-N
-8ED50A4EA6B55886_F3D33A15FC311CA5_6039_UN,CC(COCC(NC1=C(C(OC)=O)SC=C1)=O)N(C)C,DTPGDYMKERNTIH-UHFFFAOYSA-N
-92D817C89C34FB86_671D520C60968A37_6029_UN,C[N]1C5=C(C(=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C=CC=C5,TYKBUHUMHFLPQP-UHFFFAOYSA-N
-93777D8108C29AD1_F5E3B817DE24CF9A_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CSC=C4,BUDPKOWXZYKJEU-UHFFFAOYSA-N
-95963AF3B4352A0C_BA7276F752B38CB2_6029_UN,ClC1=NC=NC(=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O,WIEPRUVIGUJDTA-UHFFFAOYSA-N
-962846C6E851F084_49B7E8055BEF4CAF_6004_UN,C1(=C(C=CC=C1)C(=O)C2=CC=CC=C2)C3=C(OC)C(=CC=C3)O,WUTHCTASJNYZGP-UHFFFAOYSA-N
-974258EB1182130D_30EBEC8332905684_6005_UN,COC(=O)C1=CC(=C(C=C1)C2=CC=CC(=C2)CO)C3=CC=CC=C3,KBQYMFNNNTWVIW-UHFFFAOYSA-N
-982D050EE91F1569_F2AC5FA47D2C9ADC_6038_UN,CN(C)CC1=CC(=C(C=C1)C)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FWZYWURMYCYKND-UHFFFAOYSA-N
-984A0779803287F3_4B0734241C882EBD_6004_UN,FC1=N[NH]C(=C1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,NCOJSMWLQZOPDL-UHFFFAOYSA-N
-9C8967509893CAA8_8146DCFEB650654C_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CC(OC)=O)CC3)=O,MZYPHJVCUXSUTM-UHFFFAOYSA-N
-9F64DBFE6DBFA1EB_9A9E16E0A5B12C3E_6029_UN,CC1=NC=CC(=C1)CCN[S](C2=C(C)C=C(N=C2)C3CCC3)(=O)=O,IYBQBLREQHIDFZ-UHFFFAOYSA-N
-9FF56D464538EF4C_F01A9094C2CF7ADC_6026_UN,FC1=C(C2=C(C=C1)C=NC(=C2)Cl)[S](=O)(=O)N4CCN(C3=NC=C(OC)C=C3)CC4,GMPXFMONAAIDJQ-UHFFFAOYSA-N
-A5BEB606388BC7C4_D3335DFCAE58D982_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CN=C(C=C3)C4(CCC4)C#N)(=O)=O,OSUFZHFOSCZMQH-UHFFFAOYSA-N
-A7654068E23C2C9E_2EB9BA20AB4B62F9_6029_UN,OC(=O)C1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=C(C=C3)[N+]#[C-])(=O)=O,PFEPFZAXZYHOTJ-UHFFFAOYSA-N
-A7B686D25B97846E_B928B9A3CD5CC37B_6029_UN,FC1(CN(C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O)C4=CN=CC=C4,ACRPYGUFWCJOCC-UHFFFAOYSA-N
-AA0A653FC201A647_C81A2F1FAC329F7A_6038_UN,CCOC(=O)CC(=O)CSC(CC[N]1C2=C(N=C1CCC)C=CC=C2)=O,WGLSXNIAKRDDCR-UHFFFAOYSA-N
-AD6F48171576C8C4_4954784B6C878895_6038_UN,CC1=NC(=C(C=C1)OC(C2CCN(C(N(C)C)=O)CC2)=O)[N](=O)=O,JXCXMRQVBROONA-UHFFFAOYSA-N
-AD88D959BB4C6C92_19F8356E0AA1ED31_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C4=NSC5=C4C=CC=C5,PIHYFVVIYBQXAK-UHFFFAOYSA-N
-ADA49638872004E7_C7F4AEBC4E9D369C_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NCC3C[Si](C)(CC3)C)C,PVHGQWBTVMZXAF-UHFFFAOYSA-N
-AE07EBA742A47A30_15FDDE885900FE25_6029_UN,C1CC(CCN1[S](C2=C(O)N=CC(=C2)C(F)F)(=O)=O)C4=C3C=CN=CC3=CC=C4,KIKTXQNYSOGTGI-UHFFFAOYSA-N
-AE701A3255151783_781D4EC4B8876B8D_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,SYDMKAIXOVTXON-UHFFFAOYSA-N
-AF15F78F3F3A75C8_D3D486706DD1233D_6038_UN,CCOC(=O)[C@@H](NC(CC(COC)(C)C)=O)CC1=C[NH]C=N1,SCTNLDAOCHSHQT-LBPRGKRZSA-N
-AFFC27AA9542B676_4CD2388C80B6D0BC_6038_UN,CCOC(=O)C(NC(C1(C(N(C)C)=O)CC1)=O)C2=CC=NS2,OWCHCGRVTVDICS-UHFFFAOYSA-N
-B01EE71924BAF172_057FE0231A0E23A0_6038_UN,N(C1=C[N](N=C1)C2=NC=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,YVBVNRDKAQTETI-UHFFFAOYSA-N
-B0235E10CC1FF255_454ADDD497626341_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(CC3=CN=CC=C3)C4CCCC4,CAKAKNITNHAMJU-UHFFFAOYSA-N
-B17491E8451359F8_24E2B8E76980CD1D_6038_UN,CN(C)CC1=CC(=CC=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,JJEVTUKSPZZUEJ-UHFFFAOYSA-N
-B27DB0615CDE5889_6306158A66DC94FD_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,ZQYDTUXFYKROFO-UHFFFAOYSA-N
-B28BCE51E3AC8BC3_6B558D553C425AC9_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,VMUKNLFQNZSZIK-UHFFFAOYSA-N
-B29567035CA09DAF_1D3DFB32435BDBF8_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CSC=C4,KYCCWMZBTRRWEL-UHFFFAOYSA-N
-B3F7385FEE3825D3_17527A9BCCD2DFC4_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,QCTFJYKHEITRIP-UHFFFAOYSA-N
-B4C4CA84C4FFED68_7C9280BFC60C4890_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=C(N=CC=C3)C4(CC4)C#N)(=O)=O,RPCQGXACNYRNLU-UHFFFAOYSA-N
-B5A0B35C9E2466D0_1B609AB981198F7A_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,BVCORTTUEUQTHR-UHFFFAOYSA-N
-B69B1D2680DCF985_7C99195C21C00AE6_6036_UN,C1(CC(C1)C2=CC=C(C=C2)Cl)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,MGPAVJSZAIWJQY-UHFFFAOYSA-N
-B740C3292BE956D3_9A8FC3535BF6F958_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(CCN(C)C)=C)=O,LCFCAFDUHDSMNM-UHFFFAOYSA-N
-B793CA94B443A790_AC780A3015110CB1_6041_UN,C2(=NC1=NC=N[N]1C(=C2)C3=CC=CC=C3)NC5=CC(=C4OCOC4=C5)C(OC)=O,PAFGIBBLYJKQST-UHFFFAOYSA-N
-BA567FC9F6B7B17A_CFA2934141882091_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,QTGYFNTVWIWCTQ-UHFFFAOYSA-N
-BB2A54F020B975A4_C390FB3F158E0C76_6029_UN,N(CC1CC(C1)=O)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,MIVAPHBCEMDOIL-UHFFFAOYSA-N
-BB3E75F3A8E984D2_6FB49D21E40AA3A2_6029_UN,N(C1CCC(CC1)C2=CC=C(C=C2)F)[S](C3=C(CSC)C=CC=C3)(=O)=O,VREQBWOCMHEMOI-UHFFFAOYSA-N
-BE588194D58F070A_DC7C2F107B93A221_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C(=C2)C)F)C)=O,MQSMTKZVJAXUKC-UHFFFAOYSA-N
-C0190621F510D1C2_B0B029AF0279C24D_6041_UN,C2(=C1C=CC=NC1=NC=N2)NC(CCCOC)C(=O)N(C)C,VJMKVUNBBFOMRE-UHFFFAOYSA-N
-C29271C0AA56F4CD_4AB27AC41CC88528_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C4=C3C=CN=CC3=CC=C4,DQBUNRHHQGRKGA-UHFFFAOYSA-N
-C3DE76CC421DF0BE_3840F78E06284D61_6029_UN,C1CC(CCN1[S](C2=CSC(=C2)C(F)F)(=O)=O)C4=C3C=CN=CC3=CC=C4,FCXDQIQTPYKKRJ-UHFFFAOYSA-N
-C7BDD02B4DCC7A34_7A8B98F77B5BD4ED_6028_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VDTAENDXMKSEMW-UHFFFAOYSA-N
-C990C81E8DA572D2_510D5F1380111E5D_6038_UN,CN(C)CC1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)C,VWWQYSYKHJKKDU-UHFFFAOYSA-N
-CB50D2FFDA0165F8_B02036A33D8F4C4D_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C(N(C)C)CC=C)=O,MKEARNCMXUFPPL-UHFFFAOYSA-N
-CB81A80B175BE2F9_C2668F0BE13BF710_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=NC=C2)N3CCCCC3,NRGQRIOZCIMUCN-UHFFFAOYSA-N
-CDFA3BCF80F2D86F_10D32796259F51DA_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,YDJPKBBAMNMGBD-UHFFFAOYSA-N
-CE8DBDE9006A6652_AD52959D6C9AFD10_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,QXHBPLABNFESJZ-UHFFFAOYSA-N
-D202BB744791DAE7_7D15A025607B7E3E_6038_UN,COC(=O)[C@@H](NC(CC(COC)(C)C)=O)CC1=C[NH]C=N1,DJWCHWVZLVGLCB-NSHDSACASA-N
-D263CDF6180A33B3_52307BD137B17694_6038_UN,CCC1=CN=C(CCNC(CC(C(OCC)=O)C(=O)C)=O)S1,FPNLZBXNBHUWPX-UHFFFAOYSA-N
-D41797DE36AB134B_5513BC90E3651A6C_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,VFINCJSBRCGKAP-UHFFFAOYSA-N
-D69935F21F4F27D0_4C9776AC3D8BCB4B_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C)C=C(N=C3)C4CC4)=O,HLXNJBVQQKXIDY-UHFFFAOYSA-N
-D744C13C97951C7F_B68D3C5D526361E8_6038_UN,C[Si](C)(C)C1=CC(=CN=C1)NC(=O)C3=C2C=C[N](C2=NC=N3)C4CC4,KWIGLGNKOAONAD-UHFFFAOYSA-N
-D7E558099525384D_2A2EDF8BD1F0FDBA_6038_UN,C[N]1C2=C(N=C1CCCNC(CC(C(OCC)=O)C(=O)C)=O)C=C(C=C2)F,MLXBNEYZCNUNKP-UHFFFAOYSA-N
-D83BBB3A80F338C9_FEA8204635D8554D_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)CC(N4CCN(C)CC4)=O,NFSQGMOHTZRUMO-UHFFFAOYSA-N
-DC18253E0E344B92_F6196F56DC588F6F_6038_UN,CN(C)C1=NC(=C(C=N1)NC(C2(C(N(C)C)=O)CC2)=O)N,BDBBYXCNIWGPIB-UHFFFAOYSA-N
-E00A524F79C53A48_4BA6FE5174F6C99C_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C([S](C)=O)C=CC=C2)[N]3C4CCCC4,VAKLKZHQJLZJQC-UHFFFAOYSA-N
-E1601ED8BFA5B9F5_E8434769E2AB2374_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3(CC(N(C)C)=O)COC3)C,AVAZLUZUPPDNTH-UHFFFAOYSA-N
-E18D223BB4124534_A4760A0A76CF9451_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=NC=C4,YLBVWPNSNRJPFE-UHFFFAOYSA-N
-E18D4F2F5636342A_FFB6BF8D268A73F8_6029_UN,CC1CN(CCN1[S](C2=C(F)C3=C(C=C2)CCC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,ARPJLJCGPVGBCO-UHFFFAOYSA-N
-E320F7F7076B6B18_C72BBF1C9AF91AB2_6029_DP,CC(C1CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,GMMSHQGLYLTCPA-UHFFFAOYSA-N
-E4154B7740F9F41F_28978BF72BC105DA_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=C(N=CC=C3)CC4(CC4)C#N)(=O)=O,KVNKLHZCNPLKEI-UHFFFAOYSA-N
-E47F55ECFB15DB26_84A69539383894CF_6029_UN,CC1CN(CCN1[S](C2=C(C)C=C(C=N2)C(F)F)(=O)=O)C3=CC=NC=C3,OEQBJGHTZJSSSR-UHFFFAOYSA-N
-E6A1F5D7C3AA4A5A_3B57DAE78B134658_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC(=CC=C3)C=C)(=O)=O,SKCPZRMJNKAQSO-UHFFFAOYSA-N
-EA81E2E7755671C0_96964CB91C1CDCB7_6038_DP,CC(C)C(NC(C1CC(C(C)=O)CN1)=O)C(=O)N(C)C,ROAKTKAEGHFWJB-UHFFFAOYSA-N
-EAFEC83FDE20CF4E_80CF3A2CD6FEB54C_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CC(OC)=O)(C)C)=O,BGLJAVLPEABFPN-UHFFFAOYSA-N
-EE66CC88E07C01E2_5C37F392677DCA3D_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=C(OC)C=CC=N3)=O,SYAPCOXGXUGEOG-UHFFFAOYSA-N
-EFBF4B2C5DC964DE_277D7BADF6B82C31_6041_UN,CC(C1=CC=C(C=C1)NC3=C2C=CC=NC2=C(C=C3)N4CCCCC4)[S](=O)(=O)C,AXXZOJCHGMQPKI-UHFFFAOYSA-N
-F16EB6F818437869_0EAD421E79D8DB78_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,XTRLUSIXISRJFY-UHFFFAOYSA-N
-F2A2C5CC77A659FF_A7337752F8D6F29C_6028_UN,CC1CN(CCN1[S](C3=NC2=C(C(=CC=C2)Br)S3)(=O)=O)C4=NC(=CC=C4)C,QYTKNEWWXPFMCO-UHFFFAOYSA-N
-F2CDDEF61710D9F3_FF90E61EF086670B_6041_UN,CCOC(=O)C2=NC1=C(C=CC(=C1)NC(C)=C(C#N)C(=O)O)S2,AYZRYNGQEBUTKF-UHFFFAOYSA-N
-F3D569C636E4B7EF_38369B843742C816_6029_UN,CC1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C3=NC(=CC=C3)C,LTEDMKQRAYLXDI-UHFFFAOYSA-N
-F79286BBC37AB7ED_6906B33658DEC51D_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)CCC([N]3N=C(I)C=C3)CC4,PYMQLELJTBWHES-UHFFFAOYSA-N
-F9AF5321DE4BA16F_0F3DDC5F1BC647C1_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCCC(N4CCN(C3=CC=CC(=C3)C)CC4)=O,LZFXZOGVOJOUQK-UHFFFAOYSA-N
-F9E64AD2507C617B_E4F47636BC3E7C93_6038_UN,CC(NC(CC(CCCCCC)C)=O)C1=CC=N[N]1C,YVZSFBHIGPMVSD-UHFFFAOYSA-N
-FB8D7F3FA83A6199_6AA52497E9A500F0_6029_UN,CC1CN(CCN1[S](C2=C(C(F)F)[NH]N=C2)(=O)=O)C4=C3C=CN=CC3=CC=C4,VRLHSEATESTFSR-UHFFFAOYSA-N
-rxn:2:100782:87087,CCC(NCc1cnn2c1CC(F)(F)C2)c1cnc(N2CCN(C(C)C)CC2)cc1C,GONZIVCXVSMSAY-UHFFFAOYSA-N
-rxn:2:101315:115909,CCCN(CC)c1cc2c(cc1NC(CS(=O)(=O)CC)c1c(C)coc1C)OCCO2,ZALOTPQGHBOTMA-UHFFFAOYSA-N
-rxn:2:101315:159696,CCCN(CC)c1cc2c(cc1NC(C)c1ccc(-c3ccc(OC(C)C)nc3)c3c1OCO3)OCCO2,OOGGBVUYCHYIPW-UHFFFAOYSA-N
-rxn:2:101341:166436,CCc1cc(NC(C)CC(C)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CCOCC1,NSWAGQGVCHTLHX-UHFFFAOYSA-N
-rxn:2:101516:160422,CS(=O)(=O)c1ccc(N2CCC(N[C@H](c3ccc(N4CCCC4)cc3)C3CC3)CC2)cc1,BPVJSOQZCITBPE-SANMLTNESA-N
-rxn:2:102007:162580,CCC(Nc1cc(C)c(N2CCN(C)CC2)c(C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,BJTQWDJIQNUGFY-UHFFFAOYSA-N
-rxn:2:102484:160422,CS(=O)(=O)c1ccc(N2CCC(N[C@H](c3ccc(N4CCCCC4)cc3)C3CC3)CC2)cc1,ZQTZQFITJVKEFL-MHZLTWQESA-N
-rxn:2:106874:127224,COc1cc(C(C)NCc2c(OC)nc3c(c2C(C)C)CCC3)ccc1OC(C)C(C)C,JFTRKVBJGFCYGZ-UHFFFAOYSA-N
-rxn:2:107853:117711,CC(C)Oc1nn(C(C)C)cc1C(C)NC(c1ccn(S(=O)(=O)C(C)C)c1)C(C)C,UDHWNEWDRWZAGN-UHFFFAOYSA-N
-rxn:2:107853:122403,COc1ccc(OC)c2c1CCC(NC(C)c1cn(C(C)C)nc1OC(C)C)C2(C)C,BCOKRTVVIOCTQB-UHFFFAOYSA-N
-rxn:2:107853:99737,CC(C)Oc1nn(C(C)C)cc1C(C)NC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,PAFVWJDFBKKXFN-UHFFFAOYSA-N
-rxn:2:108572:162580,CCC(NCc1cncc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,PJLVVGOFFIETRI-UHFFFAOYSA-N
-rxn:2:110075:105574,CC(C)N(C)c1cc2c(cc1NC1CCc3nc(N4CCN(C)CC4)ncc31)OCCO2,YGFFLRUBWLIYBZ-UHFFFAOYSA-N
-rxn:2:110075:117711,CC(C)C(Nc1cc2c(cc1N(C)C(C)C)OCCO2)c1ccn(S(=O)(=O)C(C)C)c1,OMBQZNPNFHHDSH-UHFFFAOYSA-N
-rxn:2:110075:122403,COc1ccc(OC)c2c1CCC(Nc1cc3c(cc1N(C)C(C)C)OCCO3)C2(C)C,BCKHXUPVUFULJU-UHFFFAOYSA-N
-rxn:2:110431:166436,CCCc1nc(C(C)C)sc1C(C)NC(C)CC(C)S(=O)(=O)c1c(C)cc(C)cc1C,FRKUPRXRAPFYNL-UHFFFAOYSA-N
-rxn:2:111942:165431,CCCS(=O)(=O)n1cc(NC2CCCc3nc(N4CCN(CC)CC4)nc(C)c32)cn1,JIFFTZMCVGFPOX-UHFFFAOYSA-N
-rxn:2:112123:166436,CCS(=O)(=O)c1cnc(NC(C)CC(C)S(=O)(=O)c2c(C)cc(C)cc2C)nc1C1CC1,FJHIHKMNRNELHN-UHFFFAOYSA-N
-rxn:2:113350:147241,CC(Nc1cn(C)nc1N1CCN(C)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,XBMHTJCNAFJPGQ-UHFFFAOYSA-N
-rxn:2:113467:152118,Cc1ccc2c(c1)C(NCc1ccc(N3CCN(CC(C)C)CC3)nc1)CCCS2(=O)=O,APQBBYPTANALTO-UHFFFAOYSA-N
-rxn:2:113467:98226,COc1ccc2c(c1)C(F)(F)CCC2NCc1ccc(N2CCN(CC(C)C)CC2)nc1,MQIZWFPCAJOHCK-UHFFFAOYSA-N
-rxn:2:113994:148296,CSc1ccc(CN2CCC(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)cc1,INHPPDCQFVIJOL-UHFFFAOYSA-N
-rxn:2:119004:79130,CC(C)COc1cncc(N2CCC(NCN3CCN(Cc4ccccc4)CC3)CC2)c1,VSUDFPKVUZUSGJ-UHFFFAOYSA-N
-rxn:2:119028:126068,C=C=Cc1cnn(C2CCC(NCc3ccc(N4CCN(CCC)CC4)nn3)CC2)c1,VJGNVUIMEAGSML-UHFFFAOYSA-N
-rxn:2:119028:146472,CCCN1CCN(c2ccc(CNC3CCOc4cc(-c5cc(C)ccc5OCOC)ccc43)nn2)CC1,GCVUUAUGWLLCME-UHFFFAOYSA-N
-rxn:2:120527:113127,CC(NC(c1ccc2c(c1)COCO2)C(C)C)c1ccc(N2CCN(C(C)C)CC2)nc1,NSFHBPUOQGSTDO-UHFFFAOYSA-N
-rxn:2:121134:101788,CCN1CCN(c2nc(C)c(C(C)NCc3cn(C(C)COC)nc3C)c(C)n2)CC1,BZOZLODFLFOEAF-UHFFFAOYSA-N
-rxn:2:121834:107267,CCCN1CCN(c2ccc(C(C)NC(C)c3cccc(S(F)(F)(F)(F)F)c3)cc2)CC1,NVDLEMTWUVLOQE-UHFFFAOYSA-N
-rxn:2:121834:129749,CCCN1CCN(c2ccc(C(C)NC(CC)c3ccc(C(C)C)cc3C(C)C)cc2)CC1,ORFMYZUXXNRKID-UHFFFAOYSA-N
-rxn:2:121834:145342,CCCN1CCN(c2ccc(C(C)NC3CCc4ccc(-c5ccc6c(c5)OC(F)(F)O6)cc43)cc2)CC1,FVABAARQLBFGIM-UHFFFAOYSA-N
-rxn:2:121834:170495,CCCOc1ccc(-c2ccc3c(c2)CCCC3NC(C)c2ccc(N3CCN(CCC)CC3)cc2)cn1,YDGTVYQSIPBBPN-UHFFFAOYSA-N
-rxn:2:121834:90257,CCCN1CCN(c2ccc(C(C)NC3CCC(c4nc(C(C)C)no4)CC3)cc2)CC1,SCBIOGKAFJTXEK-UHFFFAOYSA-N
-rxn:2:121988:122014,CCCOc1cc(C)c(C(C)Nc2c(OC(C)C)cc(C)c(N(C)C)c2C)cc1C(C)C,VUMGAXXEMGQLPJ-UHFFFAOYSA-N
-rxn:2:121988:158297,CCC(C(Nc1c(OC(C)C)cc(C)c(N(C)C)c1C)c1ccccc1C)S(=O)(=O)CC,QVCLHSHNPJEVEG-UHFFFAOYSA-N
-rxn:2:121988:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3c(OC(C)C)cc(C)c(N(C)C)c3C)CC2)c1,DYKXPEAREHVDSP-UHFFFAOYSA-N
-rxn:2:121988:99737,Cc1cc(OC(C)C)c(NC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)c(C)c1N(C)C,GBNJGLRHDLGHCI-UHFFFAOYSA-N
-rxn:2:122061:122403,COc1ccc(OC)c2c1CCC(Nc1ccc(CN(C)C(C)C(C)C)cc1C)C2(C)C,ZGWAHRJEXUYOCZ-UHFFFAOYSA-N
-rxn:2:122061:99737,Cc1cc(CN(C)C(C)C(C)C)ccc1NC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,KFKLMNACRWXPFM-UHFFFAOYSA-N
-rxn:2:132688:127224,COc1cc(C(C)Nc2cc(C)c(C3CCCN3C(C)C)cn2)ccc1OC(C)C(C)C,YKIWSNAHIGVCQJ-UHFFFAOYSA-N
-rxn:2:134127:160422,CS(=O)(=O)c1ccc(N2CCC(N[C@@H](c3ccc(N4CCCC4)cc3)C3CC3)CC2)cc1,BPVJSOQZCITBPE-AREMUKBSSA-N
-rxn:2:135984:166436,CCN(CC)c1cc(C2CC2)ccc1NC(C)CC(C)S(=O)(=O)c1c(C)cc(C)cc1C,FDRMGBNOEXQILC-UHFFFAOYSA-N
-rxn:2:141473:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC(C)c2c(OC)nsc2OC)CC1,SQMRSHRFQKWGDM-UHFFFAOYSA-N
-rxn:2:144991:117468,CCC(Nc1ccc(COC(C)(C)CC)c2ncccc12)c1ccc(N2CCN(C(C)C)CC2)nc1,TXCJHOSWAFKLLY-UHFFFAOYSA-N
-rxn:2:145281:87087,CCC(NCc1cn(-c2ccn(C)c(=O)c2)nc1C1CC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,ZENKVHYALNTZEH-UHFFFAOYSA-N
-rxn:2:146877:166436,Cc1cc(C)c(S(=O)(=O)C(C)CC(C)NCCn2c(C)c(C)c3cc(OC(C)C)ccc32)c(C)c1,RYNNXAVZGPDKEV-UHFFFAOYSA-N
-rxn:2:147005:122403,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC1CCc2c(OC)ccc(OC)c2C1(C)C,WJBIZYPUSNRVMH-UHFFFAOYSA-N
-rxn:2:147297:117711,CC(C)c1[nH]c(=O)c(S(C)(=O)=O)cc1CNC(c1ccn(S(=O)(=O)C(C)C)c1)C(C)C,OXSKKKLYJOGBGA-UHFFFAOYSA-N
-rxn:2:150833:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC2(c3nnc(-c4ccc5c(c4)CCO5)o3)CC2)CC1,YTZUUDZCMDHBGX-UHFFFAOYSA-N
-rxn:2:157678:91208,Cc1nc(N2CCN(C)CC2)nc(C)c1C(C)Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O,SUUHXYWKGVMWJI-UHFFFAOYSA-N
-rxn:2:160173:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC(c2nc(-c3ccc(OC)cc3)n[nH]2)C(C)C)CC1,NDLSUZFPZHEGNV-UHFFFAOYSA-N
-rxn:2:161828:99737,CCS(=O)(=O)c1cc(NC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)cn(C(C)C)c1=O,STVFMFBCCLFCPA-UHFFFAOYSA-N
-rxn:2:164424:166436,Cc1cc(C)c(S(=O)(=O)C(C)CC(C)NC(C)C(C)(C)c2nc3ccccc3n2C(C)C)c(C)c1,LOAATJZGDHRYGM-UHFFFAOYSA-N
-rxn:2:165471:73038,CCC(Nc1ccc2oc(=O)n(CCC(C)(C)C)c2c1)c1cnc(N2CCN(CC)CC2)cc1C,SRNRHTNYIPQDRG-UHFFFAOYSA-N
-rxn:2:169915:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3c(S(=O)(=O)OC)c(=O)n(C)c(=O)n3C)CC2)c1,BYAAWTFOOKCOFE-UHFFFAOYSA-N
-rxn:2:169915:73773,COc1c(C(Nc2c(S(=O)(=O)OC)c(=O)n(C)c(=O)n2C)C(C)C)ccc2c1COCO2,CKMZYGHSZCNNLU-UHFFFAOYSA-N
-rxn:2:65969:91208,Cc1cc(SC(C)(C)C)ncc1C(C)NC(C)c1c(C)nc(N2CCN(C)CC2)nc1C,YWCOKTVOAFAXLU-UHFFFAOYSA-N
-rxn:2:67775:73038,CCC(NCc1c(SC(C)C)nc(=O)[nH]c1C)c1cnc(N2CCN(CC)CC2)cc1C,GMLASDPKMKBNMS-UHFFFAOYSA-N
-rxn:2:68609:73773,COc1c(C(Nc2ccc(N(C)C(C)C)nc2OC(C)C)C(C)C)ccc2c1COCO2,FGXNEUBIFPAHBG-UHFFFAOYSA-N
-rxn:2:68609:99737,CC(C)Oc1nc(N(C)C(C)C)ccc1NC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,VGHGAFDDZOZRHV-UHFFFAOYSA-N
-rxn:2:70844:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NCc2ccc(N3CCSCC3)nc2)CC1,PAUHFJCGCYEBTE-UHFFFAOYSA-N
-rxn:2:71607:146024,CCSc1oc2c(C(C)NCc3ccc(N4CCN(C(C)CC)CC4)cc3)cc(C)cc2c(=O)c1C,WGUPVNPDEBBYBF-UHFFFAOYSA-N
-rxn:2:71607:72378,CCC(C)N1CCN(c2ccc(CNC3COc4cc(N(CC)CC)ccc43)cc2)CC1,WCDMTPCYPKYYQL-UHFFFAOYSA-N
-rxn:2:72748:152220,CCC(NC(CS(C)(=O)=O)c1cc(C)n(CC)c1C)c1cnc(SC(C)(C)C)cc1C,NWXXNDNBWAKQRY-UHFFFAOYSA-N
-rxn:2:72748:158297,CCC(NC(c1ccccc1C)C(CC)S(=O)(=O)CC)c1cnc(SC(C)(C)C)cc1C,VQRQBSKQZFFFIA-UHFFFAOYSA-N
-rxn:2:72748:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(NC(CC)c3cnc(SC(C)(C)C)cc3C)CC2)c1,XVVBEVQIPLVPIA-UHFFFAOYSA-N
-rxn:2:72748:68336,CCC(NC1CCN(c2cncc(OC(C)C)c2)CC1)c1cnc(SC(C)(C)C)cc1C,CKGBWKADSZKZAO-UHFFFAOYSA-N
-rxn:2:72748:73773,CCC(NC(c1ccc2c(c1OC)COCO2)C(C)C)c1cnc(SC(C)(C)C)cc1C,AXGVNPRHLJFRGH-UHFFFAOYSA-N
-rxn:2:72748:80222,CCCC(NC(CC)c1cnc(SC(C)(C)C)cc1C)c1cc(C)c(OC(C)C)cc1C,OHGKTOWYLVSERL-UHFFFAOYSA-N
-rxn:2:72748:99737,CCC(NC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)c1cnc(SC(C)(C)C)cc1C,UMYXEIJGEDEHLK-UHFFFAOYSA-N
-rxn:2:73568:148296,CN1CCC(N(C)Cc2ccnc(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,LCRZIGZFPWZNIC-UHFFFAOYSA-N
-rxn:2:74087:112373,COc1cc(N2CCC(NCc3c(C)nn(CCS(C)(=O)=O)c3C)CC2)cnc1OC,FPVYMOHJTOABOA-UHFFFAOYSA-N
-rxn:2:74087:99737,Cc1nn(CCS(C)(=O)=O)c(C)c1CNC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,OBUMZZIXYAMCGW-UHFFFAOYSA-N
-rxn:2:74419:112373,COc1cc(N2CCC(NC3(c4ccc(N5CCOCC5)nc4)CC3)CC2)cnc1OC,HREGLSUXGWOLOX-UHFFFAOYSA-N
-rxn:2:74419:117711,CC(C)C(NC1(c2ccc(N3CCOCC3)nc2)CC1)c1ccn(S(=O)(=O)C(C)C)c1,GAAYNPVOKHQOJB-UHFFFAOYSA-N
-rxn:2:74419:99737,CC(NC1(c2ccc(N3CCOCC3)nc2)CC1)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,JVAWQGCDDIRKIG-UHFFFAOYSA-N
-rxn:2:75870:99737,Cc1nc(NC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)ncc1C(C)N1CCCCC1,LWBYKQIVDGGHNA-UHFFFAOYSA-N
-rxn:2:76546:99737,CCC(C)N(C)c1c(CNC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)c(C)nn1C,GZKQFRRHSONTNM-UHFFFAOYSA-N
-rxn:2:78539:115909,CCS(=O)(=O)CC(NC(C)(C)c1ccc(C(C)C)n(C(C)C)c1=O)c1c(C)coc1C,NYMYOUTYJNBMMM-UHFFFAOYSA-N
-rxn:2:78539:147113,CCCCn1nc(-c2ccc(C)cc2C)cc(C(C)NC(C)(C)c2ccc(C(C)C)n(C(C)C)c2=O)c1=O,MRBXFDXOLUORHH-UHFFFAOYSA-N
-rxn:2:78539:156456,CCCC(NC(C)(C)c1ccc(C(C)C)n(C(C)C)c1=O)c1cccc(S(=O)(=O)C(C)C)c1,NWPXPXFKKBBDGA-UHFFFAOYSA-N
-rxn:2:78539:159696,CC(C)Oc1ccc(-c2ccc(C(C)NC(C)(C)c3ccc(C(C)C)n(C(C)C)c3=O)c3c2OCO3)cn1,PUMOSQPPVHHJGM-UHFFFAOYSA-N
-rxn:2:78539:170051,Cc1c(C)c(C)c(-c2cccc3c2CCCC3NC(C)(C)c2ccc(C(C)C)n(C(C)C)c2=O)c(C)c1C,QXFSIHZBLSADGC-UHFFFAOYSA-N
-rxn:2:78539:84126,CCN(CC)c1ccc(C(C)NC(C)(C)c2ccc(C(C)C)n(C(C)C)c2=O)c(OC)c1,WRCJMVUSTIFNBP-UHFFFAOYSA-N
-rxn:2:78539:90225,CCCOc1cc(C)c(C(CC)NC(C)(C)c2ccc(C(C)C)n(C(C)C)c2=O)c(C)c1,CRMIEYXJEDVUCM-UHFFFAOYSA-N
-rxn:2:78539:90257,CC(C)c1noc(C2CCC(NC(C)(C)c3ccc(C(C)C)n(C(C)C)c3=O)CC2)n1,AINIKXXVQHDZHV-UHFFFAOYSA-N
-rxn:2:78539:99737,CC(C)c1ccc(C(C)(C)NC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)c(=O)n1C(C)C,SUTZOYFTESJCHJ-UHFFFAOYSA-N
-rxn:2:78815:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(=O)n(COC(C)C)c3C)c(C)n2)CC1,NMJWKJCWTYGYAR-UHFFFAOYSA-N
-rxn:2:80014:81554,Cc1cccc(C(CS(C)(=O)=O)NC(c2cccc(CN3CCSCC3)c2)C2CCCC2)c1,XSUYOYOARBZILX-UHFFFAOYSA-N
-rxn:2:81532:117711,CC(C)C(NCc1cnn(C(C)C(C)C)c1C1CC1)c1ccn(S(=O)(=O)C(C)C)c1,QBZXMYTUVOHEGW-UHFFFAOYSA-N
-rxn:2:81532:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(NCc3cnn(C(C)C(C)C)c3C3CC3)CC2)c1,MKXFXKDFFZENPV-UHFFFAOYSA-N
-rxn:2:81532:99737,CC(NCc1cnn(C(C)C(C)C)c1C1CC1)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,XQENNILGSBBBJY-UHFFFAOYSA-N
-rxn:2:81760:166436,Cc1cc(C)c(S(=O)(=O)C(C)CC(C)Nc2cnn(C(C)C)c(=O)c2OC(C)C)c(C)c1,RJSGAUHATPSIPC-UHFFFAOYSA-N
-rxn:2:82760:99737,CCc1cc(=O)n2c(c1CNC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)N(C)CCC2,DEJNHECDJIKSJS-UHFFFAOYSA-N
-rxn:2:83559:73773,CCn1c(C)cc(C(CNC(c2ccc3c(c2OC)COCO3)C(C)C)C(C)C)c1C,SPCREQABWZLWAI-UHFFFAOYSA-N
-rxn:2:83559:99737,CCn1c(C)cc(C(CNC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)C(C)C)c1C,GUFZCBNURYUZSJ-UHFFFAOYSA-N
-rxn:2:85088:117711,CCN(CC)c1ccc(S(C)(=O)=O)c(NC(c2ccn(S(=O)(=O)C(C)C)c2)C(C)C)c1,OQRZQYCNJARSPC-UHFFFAOYSA-N
-rxn:2:86393:149518,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,VDFUGIHHNYWYHH-UHFFFAOYSA-N
-rxn:2:87210:122014,CCCOc1cc(C)c(C(C)NCc2ccc(N3CCCN(C)CC3)cc2)cc1C(C)C,AGOGMLADCMTDLA-UHFFFAOYSA-N
-rxn:2:87210:99737,CC(NCc1ccc(N2CCCN(C)CC2)cc1)c1cc(C(C)(F)F)cc(C(C)(F)F)c1,PVAAHACVTCWPJA-UHFFFAOYSA-N
-rxn:2:87562:166436,Cc1cc(C)c(S(=O)(=O)C(C)CC(C)Nc2ccc(C)c(N(C)C(C)C(C)C)c2)c(C)c1,XVOSSKKSCAAHPX-UHFFFAOYSA-N
-rxn:2:89493:163743,CCN1CCC(C(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)c2ccccc2)CC1,DXRCVWZZOUFNMZ-UHFFFAOYSA-N
-rxn:2:90756:166436,COc1cc(NC(C)CC(C)S(=O)(=O)c2c(C)cc(C)cc2C)ncc1S(=O)(=O)C1CC1,UOWJTYPYMDIFIU-UHFFFAOYSA-N
-rxn:2:96262:101423,CCC(C(NCc1c(N(C)C(C)C(C)C)nnc(C)c1C)c1ccccc1C)S(C)(=O)=O,OFDGAKPYDKBOBT-UHFFFAOYSA-N
-rxn:2:96262:125985,Cc1nnc(N(C)C(C)C(C)C)c(CNC2CCC(c3csc(C(C)C)n3)CC2)c1C,WVPGWFJPXQBONL-UHFFFAOYSA-N
-rxn:2:96262:161130,Cc1cc(N(C)C)ncc1-c1ccc(C(C)NCc2c(N(C)C(C)C(C)C)nnc(C)c2C)c2c1OCO2,DPZKJAZHMSGNJX-UHFFFAOYSA-N
-rxn:2:96262:66933,CCC(NCc1c(N(C)C(C)C(C)C)nnc(C)c1C)c1cc(C)c(OC(C)C)c(C)c1,BYZINMAOBBRZML-UHFFFAOYSA-N
-rxn:2:97518:166436,CCCSc1nc2c(cc1CNC(C)CC(C)S(=O)(=O)c1c(C)cc(C)cc1C)CCC2,QQMJPMUGOVOGTI-UHFFFAOYSA-N
-rxn:2:97532:122403,CCN1CCN(CNC2CCc3c(OC)ccc(OC)c3C2(C)C)CC1,GVHYCDJNWAXILX-UHFFFAOYSA-N
-rxn:2:97532:158297,CCC(C(NCN1CCN(CC)CC1)c1ccccc1C)S(=O)(=O)CC,NDDJSNGETCVFMM-UHFFFAOYSA-N
-rxn:2:97532:99737,CCN1CCN(CNC(C)c2cc(C(C)(F)F)cc(C(C)(F)F)c2)CC1,KPQCQAJWDXLMOK-UHFFFAOYSA-N
-rxn:2:98063:99737,CCCN(C)c1cc2c(cc1NC(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)OCCO2,CJDPMQYQGQZLQB-UHFFFAOYSA-N
-0056FBC9257BCEE1_8B17EE486F20FD49_6026_UN,CC1=C(C(=CC=C1)Br)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,RHJWZIMDTXWMPW-UHFFFAOYSA-N
-02BEF1A12355B59D_FAA1FD8A497E7BA5_7017_DP,N4([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)CCC(C3=CC=C(N)C=C3)(F)CC4,MNPOGPDDTOGBQU-UHFFFAOYSA-N
-031869E86F04BA30_F7A83AF1C4FD5DDE_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,YPXRJMJTFKXMRA-UHFFFAOYSA-N
-0339B21FF16EF4DE_53770D31AF74A0DC_6006_UN,C2(=C1C=CC=CC1=NC=C2[S](=O)(=O)Cl)C3=CC=C(C=C3)OCC4CC4,JOYVNBAOKKLPTN-UHFFFAOYSA-N
-04A58027BD20FBFE_F23C7BAE3977DADB_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4CCN(C3=NC=C(C)C=C3)CC4)=O,SAAPESHZCYIVTI-UHFFFAOYSA-N
-0638579E7DA8C867_DEC42B4D06B878E8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C=C(C)C=C3F)F,LXBNDLYQVZTCFB-UHFFFAOYSA-N
-0A4BC3DAA4B6A902_4DA507CFA171CBF0_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C3=CC=C(C2=CC=C([S](Cl)(=O)=O)C=C2)C=C3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,OUUXQFKYDATUNE-UHFFFAOYSA-N
-0A4FE68B90B1DB02_B92B5658E8B6CF83_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCC4,VWUZUOYLGCPAMJ-UHFFFAOYSA-N
-0AF11F808BE12EEB_A64ABFDB8BEA200B_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C4=C(C3=NN=C[N]3C)C=CC=C4)=O,GGKBBSDZSJKPDE-UHFFFAOYSA-N
-0CC78AB44BE20645_250AB47A5D01688B_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CC[S](F)(=O)=O,FZILZZSFBMAYCD-UHFFFAOYSA-N
-0E0BF1C4BA7EF60A_1D8310990FBBBF25_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(C=CC(=N2)C)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,DQHMSELYHCTIGT-UHFFFAOYSA-N
-0EBE81F4BE853C62_4D3F8CFCB0ADFAA1_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC(=NC=C2)C#N)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,KWWMAYRWAVGUMP-UHFFFAOYSA-N
-0FE7B7C149F654F2_9F29315A84D2B20C_6006_UN,FC2=C(C=C1C=CC(=NC1=C2)C3=CC(=CC=C3)OC4CCCCC4)[S](=O)(=O)Cl,STRUKIJATBXCKT-UHFFFAOYSA-N
-107E7CDD2625CF61_6B67E7F4498FAC76_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C(C=N3)OC4=CC=CC=C4)(=O)=O,QGLZXRAWLZBALC-UHFFFAOYSA-N
-11F31733B4CF3B68_440F26F7FE43010C_6034_UN,O=C(C1=CC=CS1)C2=NN=CN2CC3=CCN(C)CC3,FWFFIROMYKLPMG-UHFFFAOYSA-N
-12E32C014EFB95B3_B05ABD19895D198A_6026_UN,[S](=O)(=O)(C1=NC2=C(C=C1)C=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,XXJUZFSDAJSDEA-UHFFFAOYSA-N
-141F13866BE595F0_45BE7CF2A417E996_6038_UN,NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(N=C2)C=CC=C3)N4CCCCC4,VIXZYXZVWVKMTA-UHFFFAOYSA-N
-15918B2F8347465A_0396EAF3C03AEAE3_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=CC=C3)OC4=NN=CC=C4)(=O)=O,WAPQEFWFVCKICG-UHFFFAOYSA-N
-166ADDCF9AF0BC9D_DE6673A6412F586C_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=NC=C(C=C3)C4CC4)(=O)=O,LEOCUBOWVWWTBP-UHFFFAOYSA-N
-170CCDF31E0737C9_CC48A9E07D247EED_6006_DP,NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC4=C(C=C3)CCO4,NASAMHXXYRUAOQ-UHFFFAOYSA-N
-17A02402A21E9468_22B80BFEF60C0CB3_6006_UN,C2(=NC1=C(C=CC(=C1)[S](=O)(=O)Cl)S2)C3=CC=C(C=C3)CN4CCN(CC4)C5CC5,KAKNMFXRFQTBLK-UHFFFAOYSA-N
-18BBE1365BDAF50A_6DF112667D79981A_6029_UN,FC1(CN(CCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C4=CC=CC=C4,AGKUHTNHNSKYSG-UHFFFAOYSA-N
-19662E761E32C150_C47449F7FD35CB75_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NC4CC([S](C)(=O)=O)CCC4,CMGWLPZMESAQJX-UHFFFAOYSA-N
-1B543BAAD14ED585_0E0D8D2EF1BBF319_6038_UN,CC1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,UTADMGSYSPZNMJ-UHFFFAOYSA-N
-1B6A06999E781F6E_E35AC983EEEDB611_6026_UN,C[S](=O)(=O)C1=CC=C(C=C1)[S](=O)(=O)N2CCC(CC2)C4=NC3=C(C=CC=C3)S4,DPCBIIWDCBFRPM-UHFFFAOYSA-N
-1BA2070B85566C07_40E6630DD8A2FE5B_6029_DP,N1CCN(C(C1)C2=CC(=CC=C2)F)[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O,KHCJHDBWCQHVBH-UHFFFAOYSA-N
-1BD0991EC4A0836A_13A1176855824A90_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(CN3CCCN(C)CC3)C=C4,BUNRUZSOLRRFHU-UHFFFAOYSA-N
-1BD2A6341FB6EE06_E99E3B06466421EC_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C4=CC=C(N3CCC(C)CC3)C=C4)=O,VLNXHHJAUMOYED-UHFFFAOYSA-N
-1CBFBE7CE6337455_4F82B5A541300688_6039_UN,O(C1=CC=C(C=C1)[S](=O)(=O)N2CCCCC2)CC5=CC=C(C4=NC3=C(C=CC(=C3)C)S4)C=C5,NPROCSDFHQEUSS-UHFFFAOYSA-N
-1E03AD9ECD6025CD_14E084F4E78ED40F_6029_UN,C1C=C(CN1[S](C3=CC(=C(CN2CCCN(C)CC2)C=C3)F)(=O)=O)C4=CC=CC=C4,ORZIUKXATVWMTB-UHFFFAOYSA-N
-1EE6066A5EC23456_89944F6D7F7D9180_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=C(SC)C=CC(=C3)Br,QLJLCBIIJPWEQS-UHFFFAOYSA-N
-20B4292D4B6088BE_52E3E7C1F1182FFC_6038_UN,CC1=NN=C[N]1C2=CC(=CC=C2)NC(C3=CC=CC4=N[N](C)C=C34)=O,SNSZKZOHRQJRLQ-UHFFFAOYSA-N
-2157FD8C824B2E70_2957B6BA214E92B9_6028_UN,C1C=C(CN1[S](C2=CC=CC(=C2Cl)C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,RPVZDJUDHIFSLQ-UHFFFAOYSA-N
-220A8CD3BA50DE51_237A0DF0F613D299_6041_UN,O=[N](=O)C1=C(C=CN=C1)NC3=C(N2CCN(CC)CC2)C=CC=C3,IXLBXDOYWZUIQH-UHFFFAOYSA-N
-221FA2545F7E63BF_C7C7C7294316DE2D_6034_UN,CN(C)C1=CC(=O)N(C=C1C2=CC=CC=C2)CC3=NN=C4[N]3CCNC4,CXZQNPRYNIIRDI-UHFFFAOYSA-N
-253DBDE3D11E7E5B_F1CD6C1A86C0F81C_6006_UN,FC2=C(C=C1C=CC(=NC1=C2)C3=CC=C(C=C3)OC4CCCC4)[S](=O)(=O)Cl,DOPGRCKFKFIAAD-UHFFFAOYSA-N
-2574C1199D9F9246_83E256BE289456B8_6038_UN,CCCC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[NH]2,YKJYCLDAXSCUQI-UHFFFAOYSA-N
-25B39D1139FE2E7E_C59465CCD1310053_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=CC=C(C=C3)OC4CCCCC4)[S](=O)(=O)Cl,WJJOSIPNRPLAAC-UHFFFAOYSA-N
-272EFEDCAED095E2_DCC8C1918202BEA9_6006_UN,FC2=C(C=C1C=CC(=NC1=C2)C3=CC(=CC=C3)OC4CCCC4)[S](=O)(=O)Cl,MVTRBGGEDBHJBJ-UHFFFAOYSA-N
-28307CEE06E1BAEB_4BA0D3CDB8E0A12E_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=C(C=NC=C3)C4CC4)(=O)=O,OYANDBGAMKWPHI-UHFFFAOYSA-N
-285C737272A8563D_11984B07822BA44D_6026_UN,CC1=C(C=NC(=C1)Br)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,MTTSKDBYOLSFBW-UHFFFAOYSA-N
-2A27D0F98ADDD9F3_C6E8773F19128AE9_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCN(C)CC4,KMLLAVIKPUJGPU-UHFFFAOYSA-N
-2A2D0A574C4E70BB_B95C6E768104ED99_6038_UN,CC(C)C2=CN=C(CNC(C1=C[N](CC(N(C)C)=O)N=N1)=O)O2,VFFUCHYLPXEZFK-UHFFFAOYSA-N
-2CDA6384109382F8_CEE4D0E1E6823708_6029_UN,C1CC(CCN1[S](C2=CN=C(N=C2)[N]3C=CN=C3)(=O)=O)C4=CSC=C4,UOVILUXHEFVGST-UHFFFAOYSA-N
-2E54175C2899C804_7E6EA4714680896D_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC(=CC=C3)C4=CSC=N4)(=O)=O,IQQVIBJJPPLBJO-UHFFFAOYSA-N
-33BDF0724060EBD9_2437BB2F73F44CDC_6041_UN,O=[N](=O)C1=C(C=CN=C1)NCC3=CC=C(N2CCN(C)CC2)C=C3,ZZFFCNYUKWCEFZ-UHFFFAOYSA-N
-35DB950CEB50BF2A_ABFB7F5C0AAB8806_6029_UN,FC1(CCN(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C4=CC=CC=C4,IOPNMNAZIXPOOI-UHFFFAOYSA-N
-37130C3118149301_E73CD1A944029A58_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)O[S](=O)(=O)O,NCIPOGANSYVZPF-UHFFFAOYSA-N
-3856F07ACB5F400B_E92611FE5AADC147_6026_UN,CC1=C(SC2=C1C(=CC=C2)Cl)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,VCOKCZHLADKPCP-UHFFFAOYSA-N
-3892522765187E1E_DAA601D2C76939FB_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC=C(CSC)C=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,FXXKWMMPRPCZKB-UHFFFAOYSA-N
-3C42EB4BD1406D2D_344CFB26CE8E571B_6029_UN,ON(CC1=C(C=CC=C1)Cl)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,BCXLGVWGBQYDER-UHFFFAOYSA-N
-3CFB2673EADF6776_DF1D8C83921D0A66_6039_UN,O(CCC2=C1C=CC=NC1=CC=C2)CCOC3=CC=C([S](Cl)(=O)=O)C=C3,GNHXLFRGIDPHSK-UHFFFAOYSA-N
-3EB129BD90677E07_E931506CB68E02BD_6038_UN,N(C1=CC(=CC=C1)[N]2N=CC=N2)C(C3C(N(C)C(CC3)=O)C4=C[N](N=C4)C)=O,VFVZABKXAKJSOG-UHFFFAOYSA-N
-3F956D6BEFA6CA2C_3F3975D03B21D414_6041_UN,CC(C)C1=N[NH]C2=C1C(=CC=N2)NCC3=C(N(C)C)[N](N=C3C)C,NOIVJBRCFPUXOT-UHFFFAOYSA-N
-4187FB0AFEE7431F_66D260EE89CFD91B_6028_UN,C1CC(CCN1[S](C2=CC(=CS2)C)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,CLFYPDWRBHLAIU-UHFFFAOYSA-N
-4305B63D959E8404_A5E251308DAF74CF_6006_UN,CC1=NC4=C(C(=C1)C2=C(C=CC(=C2)C)OC3CCCC3)C=CC=C4[S](=O)(=O)Cl,MOPXTHZHMYKLER-UHFFFAOYSA-N
-439A84120B0E456B_975A1FC480880E5E_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N3CCC(C)(C3)C4=CC=C(C=C4)F,QARNHJNBWARNNE-UHFFFAOYSA-N
-4453B329BB6C41DE_52671DCCB1B7A393_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C(C3=CC=CC(=N3)N4CCN(C)CC4)=O,BJCHVXNJUYLYPQ-UHFFFAOYSA-N
-4476DF4C2A2AF5E8_B07906008B5AC475_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C4CCN(C)CC4,FACIJZQAZRZRNU-UHFFFAOYSA-N
-4582579BCB14E7E8_806B913064798AD3_6041_UN,C1(=CSC=C1C2CCC2=O)NC3=C(C(C)=O)C=CC4=C3C=CC=C4,DFNDXVYOMWDOST-UHFFFAOYSA-N
-46BCDD8C67D3E48D_3C10571F961C08A8_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC(=CC=C3)C4=NC=CS4)(=O)=O,XGCUJYWNCRHRTQ-UHFFFAOYSA-N
-48795A1D19B62CD1_A7C080EE6495C34C_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(F)C=CC(=C3)C#C)(=O)=O)C=CC=C4,OOTDXAXMPGDMPE-UHFFFAOYSA-N
-4B1616108D023C85_CAD9F851D9CB5DD4_6029_UN,C1C=C(CN1[S](C2=CC3=C(C(=C2)F)CN(CC)CC3)(=O)=O)C4=CC=CC=C4,ZOTRLIMUPIYPEY-UHFFFAOYSA-N
-4B8866BE79F5DB35_76B24082B3242431_6026_UN,[S](=O)(=O)(C2=C1C=NC=CC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,JQAYIUNTKKFTLV-UHFFFAOYSA-N
-4CF618D193AF0C6A_21AD61B3018B7739_6038_UN,CC(C)C(CNC(C(CCN(C)C)=C)=O)C1=CC=N[N]1C,INQHMLZJPBFQJL-UHFFFAOYSA-N
-500B7FE60E4BD72D_B4C66F982E275FC5_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=CC(=C2)C)N=C3)(=O)=O)C4=CSC=N4,IUXZXIUSPWRLCF-UHFFFAOYSA-N
-50D404AD89AC1D23_ABDBDA958C546D81_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)N(C)C,IWCAXJCIZNDPJC-AWEZNQCLSA-N
-515AB2AB912A14D9_7CAA34EC16C63105_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)C3=CC=C(C=C3)C4CC4,NVRBQCLSZIHCLK-UHFFFAOYSA-N
-51C2CE0CC31A18A7_B4F45005D479A7CC_6038_UN,N(C1=CC=C(C=C1)[N]2N=CC=N2)C(C3C(N(C)C(CC3)=O)C4=C[N](N=C4)C)=O,YAIFINCDOQLUSY-UHFFFAOYSA-N
-51DA75710DCA04F4_4CBE8A5BA1C6A627_6038_UN,O(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(C4=CC=C[N]4C)=O,FPQOHODZJASXNE-UHFFFAOYSA-N
-53424C4B92B5777D_3C039D12C83E183A_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NCC3CCN(C)CC3,LYJMYKCZPADCMP-UHFFFAOYSA-N
-53693AC295D1ABE5_997786A1DB57F42E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3C4=C(CC3)C=CC=C4,HBSLWHAWCLDZRL-QGZVFWFLSA-N
-558788BABCF744D4_D0C4417C46334F25_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,JKADPTUOEMHDBS-UHFFFAOYSA-N
-5695884ECD3B7B28_C3B28937694A20E5_6038_UN,CN(C)C3=NN=C(CNC(C2ON=C(C1=CC=C(C)C=C1)C2)=O)[NH]3,MAMNEAMSMCXZMP-UHFFFAOYSA-N
-59E9389363F3769D_CCFA54E686DC5928_6006_UN,C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)C3=CN=C(N(CC)CC)N=C3,HFAUAWYYPWUFPR-UHFFFAOYSA-N
-5CA4BDD9CB688B40_E30919ECFA07BA43_6041_UN,O=[N](=O)C1=C(C=CC(=C1)F)NC3=C(N2CCN(CC)CC2)C=CC=C3,MDOAPCIBASCIPJ-UHFFFAOYSA-N
-5D56A0BFDE0C0314_38F0496273EE4E6E_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O)C5=CN=CC=C5,PVQQPXYLOWJPEZ-UHFFFAOYSA-N
-5D9818A51F5F0E9B_2F74560F6F10CFED_6029_UN,C1CC(CN1[S](C2=CC(=CN=C2)[N]3C=CC=C3)(=O)=O)C4=NC=CS4,LIJRAGFDMPXUGK-UHFFFAOYSA-N
-5E0F57A2EA73A5C4_6039738B8F2E25DB_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(CC3=CC=C(C)C=C3)C4=CN=CC=C4,FSUJRDLCUBOLMW-UHFFFAOYSA-N
-5F049EFC5AFA3FCD_0B628BA14C76A71A_6038_DP,OC1=NC(=CC=C1)CCNC(C3=CC2=C(N(C)C)C=CC=C2S3)=O,GMHSLMJEMITITN-UHFFFAOYSA-N
-6133456EF29C2CCD_9069FB366BEA42BA_7017_UN,N4([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCC(C3=CC=C(N)C=C3)CC4,KGBILTFQIOCXEJ-UHFFFAOYSA-N
-64DFD1B939B3A022_2B2D7EB06B51CA9A_6029_UN,C(C1CCN(CC1)[S](C3=C2C=CC=CC2=C(Cl)C=C3)(=O)=O)N4CCC5=C4C=CC=C5,BMXHNHRQLZGFHD-UHFFFAOYSA-N
-6646A110814C3333_E072B9B40F7B9B8A_6029_UN,C1CN(CCN1[S](C2=CC3=C(N=C2)SC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,SGNXKVVTOKNNLU-UHFFFAOYSA-N
-66E4F95D628B83FB_28FC08EFBAE5DCF4_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C4=NN(C3=CC=C(C)C=C3)C(CC4)=O)=O,HCTNDYWCUVWZRV-UHFFFAOYSA-N
-681271ECE99A80F9_D60201BD9E019D28_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC(=C(N3CCN(C)CC3)C=C4)F)=O,WFKLAWLZSUDKJA-UHFFFAOYSA-N
-683D17D63CB0C498_3729A4FBF716A3A6_6026_UN,ClC2=C1C=CC(=CC1=C(C=C2)Cl)[S](=O)(=O)N4CC(C3=C(F)C=CC=C3)C4,WPWGIGYNHNTKAE-UHFFFAOYSA-N
-6914321D1351E2EC_FDEFE343C13850F3_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(C=C(CCl)C=C3)Cl)(=O)=O,WGGSYMWBSVRPAM-UHFFFAOYSA-N
-699F40007A878A1C_3D4C70EE25F68E5C_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N3CC(C)(CC3)C4=CC=C(C=C4)Cl,YRSKXOUBJNCWER-UHFFFAOYSA-N
-6A59D6D5D5DDE1E5_0C5DC2D4E534D291_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)C2=CC=CC=C2)CCN(C3=NC=C(C#N)C=C3)CC4,YLMJIDUKTMHGCB-UHFFFAOYSA-N
-6BCEF8F801206E8F_E0ADD9EDF2BB25D3_6006_UN,FC2=C(C=C1C=CC(=NC1=C2)C3=CC=C(C=C3)OC4CCOC4)[S](=O)(=O)Cl,JYTXBNXMFWVSGF-UHFFFAOYSA-N
-6DFA1B236D5E41B9_4655F17BD81252E8_6026_UN,CC1=C(C=NC(=C1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,YCOFGDRBOAWYQN-UHFFFAOYSA-N
-6E0BEB8CF5692287_ECA1399706AD3799_6029_UN,COC1=CC2=C(C=C1)N(CCCC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,BRGFITWNSPDBNX-UHFFFAOYSA-N
-6EA3E44029827994_6D56F8BA0A4CBD83_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(C)N=CC=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,CZPHUNDRNPXRNV-UHFFFAOYSA-N
-70D8048ED4A2D0E0_949FF24B11016E8E_6038_UN,CN(C)C2=C(CNC(C1N=CN(C)C1)=O)C(=N[N]2C)C,FNNJUNYCNRMDHK-UHFFFAOYSA-N
-71DC5DA28C3B941F_093F7EDD65BDF555_6038_UN,N(C1=C(C=CC=C1)C2CCC2)C(=O)CSC3=NC=CS3,YMHVMLKYSLRBTL-UHFFFAOYSA-N
-73A269CF8CAB3CB5_58FBB4456E14B340_6038_UN,CC3=CC1=C(C=CC(=C1)OC(=O)C[N]2N=CN=N2)[N]3C,OWMBYJYQDFGRNY-UHFFFAOYSA-N
-7438FDB2C9F69AF5_8FF11035AFC15936_6035_UN,C[C@H](OC1=C(CC(OCC)=O)N=CC=C1)CC(=O)N(C)C,YUCXGWPVECNPGV-NSHDSACASA-N
-753694FBE232D812_AEF428F2B872D1E2_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,XQIHSJXZTMFGJQ-UHFFFAOYSA-N
-7995D653232CFEB2_78B52C01E3FC5552_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCC(C3=CC=C(N)C=C3)CC4,RVOYPJGSSAFRBJ-UHFFFAOYSA-N
-79A26E009AD7BCB5_49452CFABBE86027_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)F,UJKMFINBSZMOLO-UHFFFAOYSA-N
-79CDBDDEAC16F0F9_717214601A024911_6029_UN,C1C=C(CN1[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,DITYEZRPTMMSPX-UHFFFAOYSA-N
-79FAAB37F98E51E4_E873BBAF3C8739C5_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CC[S](Cl)(=O)=O,XMVDOQHXQJWNID-UHFFFAOYSA-N
-7A84BC2FF0AA3E83_86A62F61A158282A_6029_UN,C1CC(CCN1[S](C3=C(C)N=C2C(=CC=CC2=C3)F)(=O)=O)C4=CSC=C4,VYQACCKEOPUSBJ-UHFFFAOYSA-N
-7A9F0309D714F5AA_FCA56D281FDA54A4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@]3(C)[C@@H](C3)C4=CC=CC=C4,ORQNDRUCJBUUKL-QFBILLFUSA-N
-7AB591C0F81D403F_F37007FB87803AB4_6029_UN,FC1(CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,XJAFVGNNVSKDKQ-UHFFFAOYSA-N
-7D041CEE7ED6E47A_F8FF281AFD5C5E55_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=CC(=C2)C)N=C3)(=O)=O)C4=CSC=C4,MCELPCYBOGVDNW-UHFFFAOYSA-N
-7D19F2C1B40CB74E_3FE810533CC5B243_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC=C(C=C3)C4=CSC=N4)(=O)=O,NTPOWKOWQPTXIH-UHFFFAOYSA-N
-7F5F76CDF718DC66_5ED70AC01D9B94FC_6041_UN,COC1=C(C=C(C(=C1)NCC2=NN(C)C(C2)=O)[N](=O)=O)C,GYQWYPILJHFBHS-UHFFFAOYSA-N
-7F68D2C2CE8662FF_B9014FA4A56BB8BA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC4CCC(N(C3=C[N](C)N=C3)C4)=O,FDFGLJTWLQKISR-UHFFFAOYSA-N
-80782317DFE88A9E_75F8638EB9A5CEDE_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=C([C@@H](C)O)C=C2)F)(=O)=O)C=CC=C3,DEKSBZCVYSLNCN-CQSZACIVSA-N
-81B1741B7A869CDB_25AA1B93753EF92F_6026_UN,ClC1=C(C=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CCC3=C(C4=C([N]3C)C(=C(C=C4)Cl)F)C5,YOZGKZZRLDRVMB-UHFFFAOYSA-N
-8312B575F1A9CADD_53CFC4C1E8FB1261_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3=C(C=CC(=C3)C)N4CCCC4)=O,NFNLMJWHWCWNDN-UHFFFAOYSA-N
-8331F9E505FA409A_7D0FDA812885CE37_6038_UN,CC(C)C1=CN=C(COC(CCCC(N(C)C)=O)=O)O1,DHRYQRSBHDKOBD-UHFFFAOYSA-N
-859D59314B95E1F8_A6F0F6A2EAB8DD36_6038_UN,NC(=O)C1=C(C=CC(=C1)N2CCCCC2)NC(=O)C3=CC4=C(N=C3)C=CC=C4,SLXQUPKWACACOY-UHFFFAOYSA-N
-8629421F256A1C77_F92513BF2E1B63C2_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N3CC(OC)(C3)C4=CC=CC=C4,XNJWCUVXVYXFPK-UHFFFAOYSA-N
-862D89F804E44CB3_A21CB0300121BA03_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC=C(C=C2)N3CCOC3=O)[N](=O)=O,PKWCPUCEJANFQB-UHFFFAOYSA-N
-871410149C3EF5DD_4184DAD63E547275_6038_UN,CC1=C(C=C(C=C1)NC(C2(C(N(C)C)=O)CC2)=O)[N]3C=NN=N3,NRWBXVPIUIXONT-UHFFFAOYSA-N
-8ACD7F1ACA3D14AF_AC25BB5C41BE8231_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C([N]3N=NN=C3C)=CC4=CC=CC=C4)=O,IEXLOGJDDHXFNF-UHFFFAOYSA-N
-8C8F4E5B11B377B1_62167383D054AF3B_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,DAJYRFRZZQHMMJ-UHFFFAOYSA-N
-8E3656B78B28554A_3E8645AEDFB1ADD3_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]3C2=CC=CC(=C2OCC3)C)N(C)C,IWCAXJCIZNDPJC-CQSZACIVSA-N
-8E81BE5EC1469159_1D3A17F3131EAA43_6029_UN,OC1(CCN(CCC1)[S](C3=C(C2=C(C=CC(=N2)C)C=C3)F)(=O)=O)C4=CC=CC=C4,KYDSXVGIPPKPKC-UHFFFAOYSA-N
-8E97A0E830B2C94F_4C5441A834556FE9_6038_DP,OC1=NC(=CC=C1)CNC(C3=CC2=C(N(C)C)C=CC=C2S3)=O,UQRVYZXYQKREJZ-UHFFFAOYSA-N
-8FDC75DD8E60FFB1_11B55265F3D5F381_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC=NC(=N3)N4CCN(C)CC4,NAPXPTPBIVDAIH-UHFFFAOYSA-N
-8FE5D9B5CF5CCCBA_9E2533E3C467DAB1_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,XQYTUFNHCHAVOV-UHFFFAOYSA-N
-900DBB02F93617FC_E6CC709ADA95C9F8_6029_UN,FC2=C1CCN(CC1=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,ZOJDVTGRBPCEMM-UHFFFAOYSA-N
-909CE2DAE28608E9_D3BC37785710DD62_6039_UN,CSC(C)CCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,LLVZUKLCIVWFIQ-UHFFFAOYSA-N
-90B3B3853657495A_5CF0C7C33AA0FF78_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,SFFLYHVJAUTAAT-UHFFFAOYSA-N
-90D07D580C4F0D20_7BAB3E6835B50987_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)N[C@@H]4C[C@@H]([S](C)(=O)=O)C4,HTSIGOQWWIJDBX-SHTZXODSSA-N
-91D37A263AB36935_1CF40E112C3A729A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=CC(=C3)Br,KIGRMSCFZSXRFQ-UHFFFAOYSA-N
-91EE1F4483CA6999_93669263DB5BF0AA_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)NC3=C(CCC3)C#N,MIVWFNQQLQXVIU-UHFFFAOYSA-N
-937CEB1855C77E24_6FC2E03C8ACDF803_6005_UN,CC1=C(C=C(C=C1)C2=CC3=C(C=C2)CCC3)[S](=O)(=O)F,GQOWMFBLDOVXIB-UHFFFAOYSA-N
-94C015703DAC0EAE_AFB901E3E4AC0957_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCC3)C4=CC=CC=C4,JIXPLVYQQADPQM-UHFFFAOYSA-N
-9606ED575269243A_63CD7BA25A199BB9_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=CC4=C3[N](C)C=N4)=O,NAQGCYZAZZWZPG-UHFFFAOYSA-N
-96E136799E197B31_45AE2F9EC38E261C_6038_UN,CC(OC(CCC1=C(C(OC)=O)N=CC=C1)=O)C(=O)N(C)C,KZQTXCRRLYOSFL-UHFFFAOYSA-N
-96FDB0BE56C8D839_D85253E4502E6F23_6038_UN,CC1=NC(=NC=C1)C2=CC=C(C=C2)NC(C3=CC=CC4=N[N](C)C=C34)=O,JDMDFNVIONJBCA-UHFFFAOYSA-N
-98A89688522FA80A_CA047F547ABD8E38_6041_UN,C1(=CSC=C1C2CCC2=O)NC3=C(C(C)=O)C=CC=C3,BIHCWSCICLFARE-UHFFFAOYSA-N
-98AF9C83927F5DBF_CDA112AD129F3460_6026_UN,CC1=CC(=C(C=C1)F)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,CIFIGUBLGKUSDU-UHFFFAOYSA-N
-9916E27ED60765BE_361C3F0BF501FE98_6029_UN,ClC2=C1CN(CCC1=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,GZJWTAGXNIRPJE-UHFFFAOYSA-N
-9A384AC9B4929D7D_C8B67C0AACAE7FC4_6026_UN,CC1=C(C=NC(=C1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,NDGUZKRQGGAXAQ-UHFFFAOYSA-N
-9A887D049C557C39_CEDDF3CB5EF6F969_6029_UN,CC1=CC=C(C=C1)C(N[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4CC4,FPEOIXKAZZBZCP-UHFFFAOYSA-N
-9F7504F3A1FAE54D_30D0C25EC31E409B_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,DXXLNBPFSPTECF-UHFFFAOYSA-N
-A395A16AB01FFC41_DBD9D054AE55AD68_6029_UN,C[C@H]1[C@@H](CC=CC1)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,PZSVUJAAIDJTEB-CXAGYDPISA-N
-A4A8D288B4AC3719_E1E5946A63D07A03_7022_UN,CC1=C(C=C(C=C1)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O)[N](=O)=O,XMDUMJXTPBRUKD-UHFFFAOYSA-N
-A4EFB3F9EED56870_1C65C53DE9A8A386_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=CC(=C3)Cl,UDWJQHLQUVATAC-UHFFFAOYSA-N
-A66F1E91804B3956_97928588B7BAF56A_6026_UN,CC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,KMGNPPHLVANISY-UHFFFAOYSA-N
-A7B4DEDF9C52BB11_45FCBD679DC06DE4_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C4=CSC=N4,FOLZJHHNBWCCSK-UHFFFAOYSA-N
-A8F7558FBBEBE09F_5BEC42E5209AA48D_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,FDMNOUQNRUCRJZ-UHFFFAOYSA-N
-A940220518C149BA_5471884F759CE172_6041_DP,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3=C(CNC3)C#N,APRMYJBLWONYOM-UHFFFAOYSA-N
-A9568DC55B0CDA87_4EF5E0BC5589377E_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=NC=CC=C4,KSPMKZSDFGBZCC-UHFFFAOYSA-N
-A9E9ED748F0304D3_50FACFB105C33CB3_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4C(CCC4)=O,WOCFLWGLCMXTEL-UHFFFAOYSA-N
-AB41373D8CAEA7D1_786853F5E2D6FADA_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C(C)C=CC=C23)(=O)=O)C4=CSC=N4,UVLVQXPUZRJJCD-UHFFFAOYSA-N
-ACB5F322360E5B25_A441442C0B647C0D_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C=C(C=C3)N4CCCCC4)F,IUZYXUVLZPIIDW-UHFFFAOYSA-N
-ACE06A11B783E11F_115D83403D8D6E78_6026_UN,CC1=C(C(=CC=C1)F)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,HEZBCLVVAOVGSJ-UHFFFAOYSA-N
-ACFC1382E4D6913D_880CFE30CC4C71E4_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=CSC=C4,CBILFNQATJDFLL-UHFFFAOYSA-N
-AF9743ECA79A4736_56E950DAE82509FF_6038_UN,C[N]1N=CN=C1C2=CC(=CC=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,XUQZXKYDDTXZKC-UHFFFAOYSA-N
-B10A9B7D598328FA_A1CB99F45404D548_6006_UN,CC1=NC3=C(C(=C1)C2=CC=C(C=C2)CCC=C)C=CC=C3[S](=O)(=O)Cl,NEPLZGJYJADBAC-UHFFFAOYSA-N
-B118F1BEC68CA174_93DEFBE3E1438E8C_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CCN(C3=NC=C(C#N)C=C3)CC4,BHWGUCSYBCXNPC-UHFFFAOYSA-N
-B2560E2BE7DD4773_368E4EB698892633_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=C(C=CC=C3)C4=CSC=N4)(=O)=O,XWRVUBIQKDTDSX-UHFFFAOYSA-N
-B2D1A34E2D319742_925AF5D7D92FBA77_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CCC[S](F)(=O)=O,MYBFKIIQFQIVTJ-UHFFFAOYSA-N
-B3258CBAE7D1B7C2_A29FF438B32B6194_6038_UN,CC(OC(C1=C(CC(OCC)=O)N=CC=C1)=O)C(=O)N(C)C,PPPIRANKFWMVOO-UHFFFAOYSA-N
-B358DBBDAD2CCF7B_90B1D21409215355_6034_UN,Cl[S](=O)(=O)C1=CC2=C(N=C1)N(C=C2)CC3=CC=NC(=N3)N4CCN(C)CC4,APYVHKBJHOOBSY-UHFFFAOYSA-N
-B489D3B23ACEC3B7_300591EB77FE2BB5_6035_UN,O(C(CC1=CC=CC=C1)C=C)C2=C(C(=C(C(=C2)F)F)F)[S](=O)(=O)Cl,XRGMWUVJKMHUKA-UHFFFAOYSA-N
-B604BEE7D2BDBFF4_AD04BF8F16FCDD78_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC=C(SC)C=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,NOBOIVWYMGERSY-UHFFFAOYSA-N
-B68E6F6B22797850_FC29E6352F78E409_6006_UN,C2(=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)S2)C3=C(C=CC=C3)OCCC=C,NFDOUSBJYVNFSA-UHFFFAOYSA-N
-B7CFB501C5032E94_64A3EE405E427625_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N3CCC(C)(C3)C4=CC(=CC=C4)F,DSZUKCIDSWJVBV-UHFFFAOYSA-N
-B7D979C702BE047A_B4F6F8C4D9A97040_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=CC(=CC=C3)OC4CCCC4)[S](=O)(=O)Cl,IICCQFZZBGVGAQ-UHFFFAOYSA-N
-BBA5BF1651921215_010713EF91722154_6038_UN,CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C4=C3OC(CC3=CC=C4)=O,WDXGQTCMUJMSRZ-UHFFFAOYSA-N
-BD5FD6E00B0568A6_D20858C12D2DDF5C_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(SC)C=CC=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,QFERYEJYTGTYQX-UHFFFAOYSA-N
-BE204A6D73FDF291_F32F8E57135F5996_6026_UN,CC1=CC(=C(C=C1)Cl)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,ZHVNVSWKPJFJNF-UHFFFAOYSA-N
-BF95801B89DDA33D_CCDB3AE720AB86B1_6005_UN,ClC1=C(C=CC(=C1)C2=CC3=C(C=C2)CCC3)[S](=O)(=O)Cl,FSDLGUAEYXGSRV-UHFFFAOYSA-N
-BFDC086F9D46E49A_B2BC7B9CCB4ED48C_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,WQTPJRGVHHJNSN-UHFFFAOYSA-N
-BFE5B60C1EFD3E66_452346D0B62496DE_6006_UN,CC1=NC4=C(C(=C1)C2=CC=C(C=C2)OC3CCOC3)C=CC=C4[S](=O)(=O)Cl,WDVUERRBYPVYLA-UHFFFAOYSA-N
-C239B47AA1BED367_735F137B48EB15BA_6029_DP,FC1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=C(C=CC=C4)Cl,AWCFCDPAFXZULM-UHFFFAOYSA-N
-C454CD07BF0641F0_F717080FDF797CE5_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=CC(=CC=C3)OC4CCCCC4)[S](=O)(=O)Cl,KAJUDCDJKBWYHD-UHFFFAOYSA-N
-C4ABD5790B7542DA_B37C130FB6BF607D_6027_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CSC=N4,ARJRDHNYFCWNFG-UHFFFAOYSA-N
-C4ABD5790B7542DA_B37C130FB6BF607D_7015_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CSC=N4,ARJRDHNYFCWNFG-UHFFFAOYSA-N
-C539B6F1AB7D02C7_B808D3DE5E5E5DF0_6038_UN,C[N]1N=CN=C1C2=CC=C(C=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,OASTURBGWWJNQE-UHFFFAOYSA-N
-C7066171F819F347_AE3CC729A414E2C4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(CC3)C=CC=C4,HBSLWHAWCLDZRL-UHFFFAOYSA-N
-C980428B213ACFCB_B652F7398CD7166A_6029_UN,C1CC(CCN1[S](C2=CC(=C[N]3C2=NC=C3)C)(=O)=O)C4=CSC=N4,CBTOYLJLZCXPLJ-UHFFFAOYSA-N
-CA77CE871B77CACD_B3171535E14DFABD_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCCC2)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,ANFXSDPDNWUBFY-UHFFFAOYSA-N
-CA9FCD4268269E51_21265F85706FA7BC_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(C)C=C3)C#C)=O,SAALQBQSXBJUIJ-UHFFFAOYSA-N
-CB66704FE884F051_5B5C8CA407361A75_6004_UN,C1(=CSC=C1C2CCC2=O)C4=CC3=C(N=C(C)C=C3)C=C4,ZETXLQASGROGOP-UHFFFAOYSA-N
-D029E571CE213DFD_1524FD8DED093F6C_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(C=C(F)C=C3)Cl)(=O)=O,OYHMZLUURLHGAD-UHFFFAOYSA-N
-D2100EE55681CAE4_C56CAF10523B06FF_6006_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)C3=CC(=CC=C3)C4(O)CCC4,VFAUEUCEOCDTIB-UHFFFAOYSA-N
-D237AF5B7501AD3A_7D3EA0B24AF849D7_6041_UN,OC(=O)C1=NOC(=C1)C2=CC=C(S2)NC3=CC(=CC=C3)N4CCOC4=O,ZRJUWRKIYAKJSF-UHFFFAOYSA-N
-D28D8F3A19D4BB4E_F26C23E4EC562E82_6029_UN,C1CC(CCN1[S](C2=NC=CC(=C2)C3=CC=CC=C3)(=O)=O)C4=CSC=C4,ZOCUWLHWBOPIOC-UHFFFAOYSA-N
-D2C0CD4E1443248B_641A912C21FBF2D5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=C(C=C(CN3CCN(C)CC3)C=C4)F,NULSXSNBXAWWIN-UHFFFAOYSA-N
-D385BAA0462C1645_5F6232E8B9AC526B_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=CC=C(C3=CSC(=N3)C)C=C4)(=O)=O,ADSGVSDMUDMDQY-UHFFFAOYSA-N
-D3E49D70E869877B_A370066CA31BF53F_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=C(C)C=CC=C3S,KFCWRWZYBBHKQW-UHFFFAOYSA-N
-D3F9DB489B625F9A_8334B3AF1CDB8E56_6038_UN,CC(C)C2=CN=C(CNC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)O2,OOXWOAJZLATQDG-UHFFFAOYSA-N
-D740FBB3899614BF_D45FCD0D9FC510B5_6029_UN,C1CC(=CCN1[S](C2=CC=N[N]2C3=NC=CC=C3)(=O)=O)C4=NC=CS4,MTBPVKQJFFMLGX-UHFFFAOYSA-N
-D94B094815C9BE22_8B957F9536B77476_6038_UN,N(C1=CC2=C(C=C1)OCCC2=O)C(C4CCN(C3=NC=C(C)C=C3)CC4)=O,DNTSZWBONXPRSO-UHFFFAOYSA-N
-D9780512929A5764_98C5ABBCF7FC430A_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CCN4CC[S](CC4)(=O)=O,XRXNZWDNEPJFFR-UHFFFAOYSA-N
-DAAC69BA37B5CB9E_5D83C38324BFFDDA_6029_UN,C2CN(CCC1=C(C=CC=C1)C2)[S](C3=CC(=C([C@H](C)O)C=C3)F)(=O)=O,HQHNGHNJLCBKFL-AWEZNQCLSA-N
-DB56A664A7AF8111_BCA0723298CB49DE_6038_UN,N(C1=CC(=CC=C1)[N]2N=CC=N2)C(C3N(C)CSC3)=O,RWRCBYMZCWMSLJ-UHFFFAOYSA-N
-DB8096D79B877025_E002AB98068E5348_6006_UN,C2(=NC1=C(C=CC(=C1)[S](=O)(=O)Cl)S2)C3=C(C=CC=C3)OCCC=C,FHUDPVMOVBJIBW-UHFFFAOYSA-N
-DC0B917ABA4011FB_7466E42E420FADF9_6041_UN,OC(=O)C1=NOC(=C1)C2=CC=C(S2)NC3=CC=C(C=C3)N4CCOC4=O,WHAJSSPIOVCXMO-UHFFFAOYSA-N
-E2FD07A746DCD171_75FDB6BBC32E6F79_6041_UN,C1(=CC=C(C=C1)CC2=NN=N[NH]2)NCC3=CC(=C(C(OC)=O)O3)C,OEHAVCOIMNEFOG-UHFFFAOYSA-N
-E44E34F73E6F6362_82B26DB62C345115_6039_UN,O(CC1=CC(=CC=C1)C3=NC2=C(C=CC=C2)O3)CC4=C([S](F)(=O)=O)C=CC=C4,TXXUADQMNLBNSD-UHFFFAOYSA-N
-E4C605E2D1D26CD2_E81ADC16CD814F6F_6029_UN,ClC2=C1CCN(CC1=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,OCCHZCUOHOFUOC-UHFFFAOYSA-N
-E5CB70D6683CADB0_1FB1C4BBF8A19F47_6038_DP,CC1=CC(=C(C=C1)SC(C4=CC2=C([NH]C=C2C3CCNCC3)C=C4)=O)F,UMIPMTXBDXXGEZ-UHFFFAOYSA-N
-E60D2BDF98365006_D32CA3FF7A1605F8_6029_UN,C1CC(CCN1[S](C2=C(C=CN=C2)C3=CN=CC=C3)(=O)=O)C4=CSC=N4,PEVVVHKGZXNLGH-UHFFFAOYSA-N
-E66BC1F1C7981CC5_AB44F4AC09D65E2D_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC(=CC=C2)N3CCOC3=O)[N](=O)=O,ALRASHQKWMYDCR-UHFFFAOYSA-N
-E6EF08F0433F261F_9FA640E96F64FAD4_6038_UN,CN(C)C1=NC=C(C=C1)CCNC(C2=CC(=NC3=C2C(=N[N]3C)C)C)=O,LEFWRSKKHGVPCI-UHFFFAOYSA-N
-E7EF9A88737C7D16_59A5BD6CA46D2315_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=NN=C(C)C=C3)=O,WHHJHQFBBJJSFR-UHFFFAOYSA-N
-EC8C355EDF551F7A_357A6AC1F0522AA8_6029_UN,FC1(CN(CCC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,IXEPXXXHNTVUHF-UHFFFAOYSA-N
-EE3F69F9F7CA6E62_3A8F006A5CF1F55C_6038_UN,N(CC1=CC=C(C=C1)C[S](=O)(=O)F)C(=O)C2=CC=CN3C2=NCC3,DZHUDIWWFBCXAP-UHFFFAOYSA-N
-EE49BBCB9E0D232B_5414FB03ED47522C_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N3CC(C)(CC3)C4=CC=C(C=C4)Cl,UKYKDODVYWHMQW-UHFFFAOYSA-N
-F11705FF4D779B4F_37F816B646A8D7ED_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(C=C3)OC4=NN=CC=C4)(=O)=O,MHFDGQPZZJHNLO-UHFFFAOYSA-N
-F164A677BF0C3D79_A5F438AAEC5B1824_6026_UN,CC1=C(C(=CC=C1)Cl)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,WUBNIVJXKJTRTF-UHFFFAOYSA-N
-F39F08E04F2C1D60_5220F4476C448153_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4C3=C(N=C(C)N=C3)CCC4,XEIBXFINJMUGTE-UHFFFAOYSA-N
-F4E231BC03D676C9_9E72D69CC10C5DA4_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C3=C(C=C(F)C=C3)Cl)C4,PXHQMVRIOOSUNR-UHFFFAOYSA-N
-F52361657ED89778_FA54788C16D96221_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3=N[N](C)C(=C3)C4CC4)=O,AOSMMFCUUDKYFO-UHFFFAOYSA-N
-F68C180691247404_A4EA495853E1E99F_6026_UN,CC1=C(SC2=C1C(=CC=C2)F)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,BLSRRNUYSRYPRO-UHFFFAOYSA-N
-F786CFE4DC93E936_49C3A586439EA7ED_6041_UN,OC(=O)C1=CC(=CC(=C1)NC2=CC(=CC=C2)C4=NC3=C(C=CC=C3)S4)[N](=O)=O,ILEZDHUIABFIBK-UHFFFAOYSA-N
-F7C7850188A0AD16_0EE6E7A7DAA72DD7_6029_UN,C1CN(CCN1[S](C3=C2SC=CC2=CN=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,CXFOHWPBGXPUBT-UHFFFAOYSA-N
-F84810DA2DDE0ED0_FF53878DD27B5F2F_6038_UN,O(C1=CC(=CC=C1)[N]2C=NN=C2)C([C@@H]3CN(C)CC3)=O,KTIDGFXBNFLGMY-NSHDSACASA-N
-F9B9A31A39C20475_2CF7011C52003AAF_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,ROORVAYWWXLZFC-UHFFFAOYSA-N
-FB4DCA14C7E00BD2_B8336BA842697512_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CC(=CN=C3)C4=NN=N[NH]4,OQKSELNTMWAQHO-UHFFFAOYSA-N
-FC3FE02BCEBFCC70_D307BADB1D3E28C1_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NC4CC([S](C)(=O)=O)CC4,NQQAMYFYIXDXPT-UHFFFAOYSA-N
-FD1E53ADD282F975_23E15D5E22319433_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NCC2=CC=NC(=N2)N3CCN(C)CC3,XQSHCYVDOQCTQO-UHFFFAOYSA-N
-FEAF8F88A209CE45_1EEDF6C4BE1742E7_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)NC3CCC2=C(C=CC=C2)C3,OPDHPZUDZNMZPU-UHFFFAOYSA-N
-rxn:2:101705:148822,CN1CCC(c2cccc(CNC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)c2)CC1,GGVQZVASIKYXGA-UHFFFAOYSA-N
-rxn:2:111757:107052,CCC(Nc1ccc2c(c1)CN(CC)CCS2(=O)=O)c1ccc(N2CCCCCC2)cc1,HXHGWWADPCOHRI-UHFFFAOYSA-N
-rxn:2:113994:151416,CSc1ccc(CN2CCC(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)cc1,SMFQOTJLAXTXCF-UHFFFAOYSA-N
-rxn:2:118231:148822,CC1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C(Oc2ccccc2)C1,UEDQNLRAXXPNAH-UHFFFAOYSA-N
-rxn:2:118990:163743,CC(CNC(c1cccc(S(C)(=O)=O)c1)C1CCC1)(CN1CCCCC1)c1ccccc1,VZIHHVCRQBLLHE-UHFFFAOYSA-N
-rxn:2:120326:121598,CC(C)(CN1CCC(Cc2ccccc2)CC1)NC(c1cccc(S(C)(=O)=O)c1)C1CC1,CLDFJMHDGYLIJC-UHFFFAOYSA-N
-rxn:2:124941:148822,CC(c1ccccc1)N1CCC(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,KASHZSHFTICSMF-UHFFFAOYSA-N
-rxn:2:127365:148296,COc1ccc(C2(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)CCCCCC2)cc1,FYDIXWZHTGYQDV-UHFFFAOYSA-N
-rxn:2:137869:163743,CCC(c1ccccc1)N1CCC(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)CC1,LDAWQPOFGMMDGV-UHFFFAOYSA-N
-rxn:2:69378:163743,CC(CNC(c1cccc(S(C)(=O)=O)c1)C1CCC1)N1CCC(Cc2ccccc2)CC1,VLNWABQUYDTVGZ-UHFFFAOYSA-N
-rxn:2:69702:153335,CCN1CCC(c2cccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)c2)CC1,RGUAOUPJQPBKKA-UHFFFAOYSA-N
-rxn:2:76252:163743,CCC1CCN(Cc2ccc(C)c(NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)c2)CC1,FZIPNXYJBCMQPJ-UHFFFAOYSA-N
-rxn:2:77257:134784,Cc1cccc(C(CN2CCCSCC2)NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)c1,RGHJUTGEQFZZQY-UHFFFAOYSA-N
-rxn:2:77257:141162,Cc1ccccc1C(CN1CCCSCC1)NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,BIVOZQWSASXIRF-UHFFFAOYSA-N
-rxn:2:78892:163743,CC(C)(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(Cc2ccccc2)CC1,TYHXLGBBCCMMFN-UHFFFAOYSA-N
-rxn:2:81317:148822,CC(c1ccccc1)N1CCSC(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,VPANNPWNQDHQSQ-UHFFFAOYSA-N
-rxn:2:87117:105145,CCC(Nc1ccc2c(c1)CN(C)CCS2(=O)=O)c1ccc(N2CCC3(CC2)CC3)cc1,ZYFRUZOBOGXBIS-UHFFFAOYSA-N
-04733BB465B5B00F_834BEEF765FAD886_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=C(O)C=C3,JVOPWUHHVCVWQF-UHFFFAOYSA-N
-054EFF45BBA4C732_C744CD0200A701DF_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,YUPZCXLHTWKUML-UHFFFAOYSA-N
-072EA455BF842C06_51B52197075257A1_6041_UN,COC(CC1=CC(=CC=C1)N[C@H]3[C@H]2COC[C@H]2C3)OC,QSGXXCUKDZBMPT-VHDGCEQUSA-N
-0745EAF6C860D967_1223B8AFC617BBB7_7022_UN,C1(=C(C=C(C=C1)C2=CC=CC=C2)F)OC3C[C@@H](OC)[C@H](C3)OC,ZTLLNQQWJIOWNI-QNBRMCRTSA-N
-07CCF32EA22CF05C_4A5E8524DE64822C_6028_UN,FC1=CCCN(C1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,UHMZCJSVEUNIOB-LBPRGKRZSA-N
-07FF395830D04955_BCACFD512822F4B1_6029_UN,C(OC1=CC=CC=C1)C2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,KVZHMAYBJXGLHO-UHFFFAOYSA-N
-0932F2BFF3919DF6_BBE7F09735B4C0D3_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C)C=C(C=C3)N4CCCCCC4,DOLCOOVPYUYLEP-UHFFFAOYSA-N
-09EEC6A7F4F851FA_C5BE02432EA12C78_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,IKCPZYNIZMPHCZ-UHFFFAOYSA-N
-0A28465599EDE372_9555A0BEA8B06215_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]([C@H](C)O)C(=O)O,MCAWFGHWSHUKIU-WRWORJQWSA-N
-0A2F1E3C92BFE2E2_27878DC57C8CB846_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC4=C(C=C(N3CCCCC3C)C=C4)C,QNLQDHNCWMBQMM-UHFFFAOYSA-N
-0AF5A1D31EEAC66F_9ED34499153ED5E4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@@H]4[C@H](C3=CC=C(OC)C=C3)CC4,YPJNYLHOCLBCSD-GOTSBHOMSA-N
-0BB7FD112136F1FA_D0EE8DCB78B8399B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(COC)(C)C(=O)O,HLTBAROZKHXJER-UHFFFAOYSA-N
-0CA91D84D6D6D132_2361C8924C11331A_6041_UN,CC1=C(C=CC(=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)N4CCCC4=O,CPLLHVALQKQCCR-IBGZPJMESA-N
-0CE6FDC7CEBB1838_B345751AB8414363_6029_UN,ClC2=C1CN(CC1=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,KGHLEMGVYYKPFG-UHFFFAOYSA-N
-12A860A635E25ECA_B8109FB32BC34480_6041_UN,CN4CCC1=C(C(=NC=N1)N[C@@H]2CC3=C([C@@H]2C)C=CC=C3)C4,NVJYEKFBWWEHPY-YVEFUNNKSA-N
-14D59ABD5F536BF5_A734777338E34821_6004_UN,C[N]1N=NC(=C1C2=CC=C(C(C)O)C=C2)C3=CC=CC=C3,JBNYNBCRHBVJDM-UHFFFAOYSA-N
-15FD5F0ADBE9DEB0_A5E8BE1290930BB7_6041_UN,CC1=NN=C([N]1C)NC(C)C2=CC3=C(C=C2)OCCC3,RPZHQJOVDJBGJF-UHFFFAOYSA-N
-17CAE2575640D38A_976D11ED04577163_6041_UN,CC2=C1C=CC=CC1=C(N=N2)NC4C3=C(C(=C(C)C=C3)C)OC4,BKBLMRHUHZSQAB-UHFFFAOYSA-N
-19B739B407BF11C9_90E52A6CA34B4CF3_6041_UN,CC1=NC4=C(C(=C1)NC2CCN(C)C3(C2)CC3)C=CC=C4,YAJZXLOSOBPOLZ-UHFFFAOYSA-N
-1CE7E02EA9EA71A9_FBDC7685EAA49FDF_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,FVXUQIRAXCWQRR-UHFFFAOYSA-N
-1EA30395C70F52BB_CEEC1F23E623DBCF_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,LIUUYJZVZGGVPM-HNNXBMFYSA-N
-1ED1870D1E0E9A91_0DB8A1E34BA93169_6029_UN,CN1CCC(CC1)C2=CC(=CC=C2)N[S](C3=CC=C(C=CCO)C=C3)(=O)=O,GJYLJQARNRQBTQ-UHFFFAOYSA-N
-205615554F396506_05D059940F768C5D_6041_UN,C1(=CC(=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](COC)CC3,WKSFBBRGGTXXEX-SMDDNHRTSA-N
-209901AE7CAC3FEC_CFE88CB273DF7E5D_6041_UN,C2(=C1C=CC=CC1=CN=N2)NC4C3=C(C(=C(C)C=C3)C)OC4,GCOATORWVFONRK-UHFFFAOYSA-N
-21BD099189D9CE18_DE3FAEA094F434E2_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,CBNALFGWATWXKF-UHFFFAOYSA-N
-223DD54EA4BC7889_47E35AF91EF4627E_6041_UN,CC1=N[N](C(=N1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4)C,ZNWZIMHMSQNVSE-UHFFFAOYSA-N
-231D98757DF52C38_D26862A4D686C22A_7015_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,GVCVAVIYYDCRKC-UHFFFAOYSA-N
-234A690EBE244AE9_3E01D7A5BC675CE7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]([C@@H](CC)C)C(=O)O,NXIVWPUAJGSFAT-NOZJJQNGSA-N
-2368A173218C507C_76F6A4FDA6ED244F_2201_UN,CC5C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4=C(C=CC=C4)C5,OZDZHZIUYZDSLB-UHFFFAOYSA-N
-24784986DCC88941_51D13DB4448438C7_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3(CC3(C)C)C#N,YTRVWIRDNCOATL-UHFFFAOYSA-N
-247FD5D7DF5055BE_7A28AA2502F1D421_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C([C@H](OC)C)=O,PKCDPUOPALNBQI-BFHBGLAWSA-N
-25250B75F65111F5_36EF36387F965BC1_6029_UN,C1CC(CCN1[S](C2=CC(=C([C@H](C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,FSFAHQVSSIQBSN-AWEZNQCLSA-N
-25CE6F16F4AFB3AC_32ACF441EBFE6B5F_6041_UN,CC1=NC3=C(C(=C1)N[C@H]2[C@H](C)CC=CC2)C=CC=C3C,ZRVXGKMSMKTGLN-MLGOLLRUSA-N
-265132C58DB24BCC_64D648AF53F7DFFB_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O)C=CC=C4,OTDLESQKIKKXNB-UHFFFAOYSA-N
-2733506D535705AC_BE985FF7432177AA_6041_UN,CC1=N[N](C(=N1)N[C@@H]2CCN(C)[C@H]2C3=CC=CC=C3)C,OLABGBQKPREKIX-KGLIPLIRSA-N
-27757CDC67B52D4C_8306109281EF7708_6028_UN,COC1=CC(=CC=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,JAZMKBUZCJJFSK-UHFFFAOYSA-N
-27E2F76A0CFBB3D8_CDC7B1C17BE2684F_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2CC(C)(C)OC3=C2C=CC=C3)C#N,QYSFSJRDDFYKJW-UHFFFAOYSA-N
-286E638BF30D9892_3FBC8AA88119FFFD_6029_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,WARQRTRBSWHQDM-UHFFFAOYSA-N
-29BA571D4CC8EB26_EC0BC3CC8489B809_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C(Cl)C=C3CCCC3=C4)(=O)=O,MAWDPUOLWFZIKV-UHFFFAOYSA-N
-2C2855E9A8404926_2B18A1732011B1CA_6041_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,HUSTUTBGBLUBGW-UHFFFAOYSA-N
-2C2C7DDE60669596_F9F9AF4AE59A24B1_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,DEFJDEZVZIRHDX-UHFFFAOYSA-N
-2C824380014B0176_6D70147833A437B6_6028_UN,N#CC1=CCN(CC1)[S](C3=NN=C(C2=CC=CC(=C2)C)O3)(=O)=O,BACDEOKWTSEIIZ-UHFFFAOYSA-N
-2D16738AE56F2367_24ABBD31BAAF8F87_6029_UN,ICC1CCN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,HQDKVLSWQCBLJP-UHFFFAOYSA-N
-2DAD0C21F94AEC7E_3BEC694ECAB1064D_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C)F,VUJCQYWAGGZHDN-UHFFFAOYSA-N
-2DC43BFAB17BCA58_DAD385E98CA12D3B_6028_UN,[CH2]=[C]1CC[N](CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,WHKGYLPTTNVHHU-UHFFFAOYSA-N
-2E9813BD9E174139_F9B7C948307CA350_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,RTSIWABTGFLGAB-INIZCTEOSA-N
-2EEBFFDE6039EDA7_9A27FF182EEC300F_6041_UN,C2(=C1C(NNC1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,YSXJOBPROVDFIC-UHFFFAOYSA-N
-305C654F345E6D82_F87A571F8AAB5351_6038_DP,N3CCC2(CC(NC(C=CC1=CC=C(CC)C=C1)=O)C2)C3,FMRBSTVOTRKKNH-UHFFFAOYSA-N
-32E1A864B0A799F6_170E8F79E87E6B34_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,DJAYQTQUQMUCDW-UHFFFAOYSA-N
-35DB6B792025D1CA_0B111FB2A8979111_6029_UN,FC1CN(CCC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,YSQZCPXZOUSABY-UHFFFAOYSA-N
-35E58D71D764FCE5_EE685A3BFF9E7559_6029_UN,FC2=C1CN(CC1=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,GIOCTTCSNWBKCJ-UHFFFAOYSA-N
-36FEE0B94E987926_EED9B15B5644FF73_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,TWDXBYNTQDGWLF-UHFFFAOYSA-N
-3762CC3D54C76D05_99AA3449B5AB264F_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=CC3=C(C(O)CO3)C=C4)(=O)=O,NMELTOVCCNSDKV-UHFFFAOYSA-N
-379D43ADBA1AE0DD_259977DC8AD76537_6026_DP,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC(C3CCNCC3)(C)C,LYOYVXIGVBUKKT-UHFFFAOYSA-N
-3A3274007BB35A8C_10968DF2A507403A_6029_UN,COC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,DMEVCTOLPLIMNC-UHFFFAOYSA-N
-3B06BBD709DFE9A2_D4F2A532DF7EB8DE_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,QPTYABXSCJNLTA-UHFFFAOYSA-N
-3C98E5E53AA78A9E_6B70C1021D0ED5C2_6038_DP,CCC1=CC(=CC(=C1)NC(CN[C@H]2CCNC2)=O)CC,YXQKCDVGKBOLFI-AWEZNQCLSA-N
-3C98F1B31E4567B4_C3D21895F01AAD25_6029_UN,C=C1CN(CCC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,ABJRMMBUAYMSQF-UHFFFAOYSA-N
-3CBF7D7D8995384C_55474FF3C190AEFA_6029_UN,CC2=C1CN(CCC1=CC=C2Cl)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,YWRQNVGVOPQYHT-UHFFFAOYSA-N
-413FC3EAD9D0DFA2_C57970A7A3CD9881_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O)C4=CC=CC=C4,RAUQRWXUZXYWDX-UHFFFAOYSA-N
-41CC1589DDAB955F_DD46D99C5CD9509E_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)CCC)(=O)=O,HDGNRCCYEXMFCZ-UHFFFAOYSA-N
-424DAA31A94BFDA1_30048B5BE425A52F_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](COC)CC3,RNFUYIDFOKPJKO-SMDDNHRTSA-N
-45439639EF05A155_53F7EDE67BF0D551_6028_DP,O[C@@H]1CN(CC1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,XSSVUXQMBYJHKM-ZDUSSCGKSA-N
-478C36CE05B9DCB7_20EC569E4714B364_6029_UN,N(CC=CCl)[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O,HBHOCIASCBHQDL-UHFFFAOYSA-N
-493CFE1F4AA05548_95AA89835E465564_6028_UN,C1C[C@@H](CN1[S](C2=C(OC)C=CC=C2Br)(=O)=O)OC3=CC=CC=C3,WEDHSWIPJYFGOX-AWEZNQCLSA-N
-4E24C3B5499D9D6F_58AB16EF42A87065_6041_UN,CC1=NC(=C(C(=N1)C)C)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,SIMHYMZBCGJIRS-UHFFFAOYSA-N
-51F9BB5A408D2B4F_FDE15EFEEBDEF3AC_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,JMZAPEBUAXHGIL-UHFFFAOYSA-N
-537093858084526B_7667762AFC993973_6041_UN,CC1=NC4=C(C(=C1)NC2CCN(C)C3(C2)CC3)C=CC=C4C,SOIDGHAGKMGTMH-UHFFFAOYSA-N
-53C1075C9C52D89B_7E843B14A6CE1FC1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=C(C=C3)Br,AOCBMOKDONJXRY-UHFFFAOYSA-N
-55AC06987BDE7BF1_089F05435DCEAA70_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=CC(=C3)N4CCCCC4,GMSDGKMUQLMZDC-UHFFFAOYSA-N
-560CA2B033E4010C_4D02676E005E05B1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(CC)C(=NC4=C3C=CC=C4)C,DKDCCAKQJIQCIY-UHFFFAOYSA-N
-568A393DE4109A50_AEED6D0696C4FE33_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,OAOQQTRIPRNXQG-UHFFFAOYSA-N
-587E59D66A67C00A_2DC72DE90FEB57E7_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,LROOUCOPLHGAAP-HNNXBMFYSA-N
-5A9C0EDBCC45FFB2_A7A632C4B861CB0C_6041_UN,C1(=C(C=CC=C1)N2CCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,STNCFGBDXANHAP-UHFFFAOYSA-N
-5D70C5399B0CC5AF_48422CD1BDA826AB_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,YUKLBBKKVGTXGN-UHFFFAOYSA-N
-5F591A1B3D3CAB3D_E7B99FA864C519C2_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=C(C=C3)N4CCCCCC4,UGEXDXWKDKFTPK-UHFFFAOYSA-N
-603C5BE7D5F7DEC4_65FFADCFE290DF2C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC4(C3=C(C)C=CC=N3)CC4,VNYYTPQVWDIFDR-UHFFFAOYSA-N
-60B731EE231ED0D3_18D5BAE5B7A4341C_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NC2=C(C)N=C(C=C2)N3CCCC3,LEWSHWJARZTSTC-UHFFFAOYSA-N
-60F8027AED73B2F0_2032573F973D1961_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,PFXDWZVNBNOYGN-UHFFFAOYSA-N
-619CEE8C6DFF9D3D_BE74A356B77B9371_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,WUEAYGMCRGUSIK-UHFFFAOYSA-N
-6418D8CA54299952_2BB5DD3C5E95FBEA_6029_UN,C(C1CCN(CC1)[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,DAJIMTREORTOCA-UHFFFAOYSA-N
-676D96EE9A95C5ED_89AFDC17ED07BBEE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C=CC=C3F,FQIFRYIUMQPMCQ-UHFFFAOYSA-N
-6AD0E4CBF253FF11_5AB476116395D736_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(C=C(CN2CCN(C)CC2)C=C3)F)[NH]4,DZAHVMKTCBOYFS-UHFFFAOYSA-N
-6BCEEEEA6BF1F4C7_33964022B84650DA_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,DAOGXGIIFCIYBQ-UHFFFAOYSA-N
-6BEE1D34743D1E93_267F84F1628921FD_6029_UN,ClC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WZCNPSHVWUCLKL-UHFFFAOYSA-N
-6BEE1D34743D1E93_43BFA17172C7A641_7015_UN,ClC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WZCNPSHVWUCLKL-UHFFFAOYSA-N
-6EF34FB63D2484D2_F2D0019468675D97_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=CC=C(CC)C=C3,AQSZAXFMRNYDJC-UHFFFAOYSA-N
-719D47AC74778B19_09AC3C976C198A63_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,BUVKLIJBVPYJMO-GOEBONIOSA-N
-730D103B7C87D50B_DDA26928E4C364EA_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,QHPULHUEEYUHKJ-UHFFFAOYSA-N
-7445AC21B68D49E8_3327E077E2974E4D_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,ZTXMMPWZPMFJSO-UHFFFAOYSA-N
-74EBCCF9AB73E529_0A2A6410E621AE6D_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC3=C(C)C=C(C=C3)SC4CCCCC4,KFONLTGYYSWITC-UHFFFAOYSA-N
-74F90F83AAD2471A_46B25BC72665DFFE_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4CCN(C3=C(CC)C=CC=C3)CC4,WJCVULSTTBPORV-UHFFFAOYSA-N
-75D721BE9C78A9EC_3DC694310AC54F8A_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=C(C)C=C(C=C2)N3CCCCCC3)F,UATFBMBXGWHJLK-UHFFFAOYSA-N
-781D26D41CC6E964_C72940FE7E808A52_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CCN(CCC)C)=O,YZFIGKRCKVAAGO-UHFFFAOYSA-N
-7903D27510F309BD_91746A0CD692CA07_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3)C#N,KIGYSQITDBLHGP-AWEZNQCLSA-N
-790F99E2BEB241F1_0912D7D6D7A4C074_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@@H]2CCOC3=C2C=C(CC)C=C3)C#N,TVOJZAHFZQQQBI-CYBMUJFWSA-N
-7B183C8A2B50C3E2_87A14BCE99B823AC_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=C(OC)C=CC=C2)=O,VXOXGHNJRJJBLR-NSHDSACASA-N
-7BE0070BD7E7989E_81260CD3AEC37C46_6041_UN,C[N]1N=NC(=C1NC(C)C2=CCN(C)CC2)C3=CC=CC=C3,RTMAUIXZZSRQAE-UHFFFAOYSA-N
-7C958541E672B046_067EE152EBDA1A82_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)C3=CC(=CC=C3)C4CC4,UXYLSRVVHPBXIW-UHFFFAOYSA-N
-7DD9565DA5BDD6A2_8D0B9FFEDC67159F_6041_UN,ONC(=O)C1=C(C=CC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,YSSFNIGLDGWIFI-UHFFFAOYSA-N
-814236AFF083ACDB_400A27D5C8D4B4BA_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CCN(CCC)C)=O,LCLQAIQNQVVFLU-UHFFFAOYSA-N
-814837246B9C1BAE_54C16A7C0CBF7361_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C)C=CC(=C3)N4CCCCC4,KLBRUVABCHXAOD-UHFFFAOYSA-N
-81942EF78801D681_B9727D25DC31A454_6029_UN,FC1=C(C=CC=C1)C2CN(CCC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,SDHHCUVIZVJEHS-UHFFFAOYSA-N
-81F16D91AABE2E94_9DCE552D3AA28F7E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C(OC)=O)C=CC=C2)=O,MRKXATYIYYLWFW-JTQLQIEISA-N
-83A85801765EF210_AE2014562BF08183_6006_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=C(C)C=C2C)C)N3CCNCC3,ZHSHQAIHXYQAQR-UHFFFAOYSA-N
-8435784AB91CC0BE_EA6809B921B2C91B_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC3CC[Si](C)(CC3)C)C,ZJOAOPWVQKOMIG-UHFFFAOYSA-N
-8459F6989435EE13_19AB0F9B8D73C0C1_6029_UN,OC1(CCN(CC1)[S](C3=NC2=C(CCN(C)C2)S3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,NVGYEJVNCIDPFY-UHFFFAOYSA-N
-84F889EFF741305A_29AB07CDE3AAFA12_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,VXGYUJLLMNXAKK-UHFFFAOYSA-N
-86CA7F81536DD7D6_97F18B1FD058A096_6028_UN,C1C[C@@H](CN1[S](C2=C(OC)C=CC=C2Cl)(=O)=O)OC3=CC=CC=C3,PQFLYPZHPHOWDQ-AWEZNQCLSA-N
-887CF1DBCF4763D7_2A88EEB091342A09_6041_UN,CC1=NC4=C(C(=C1)NC2C3=C(CCCC2C)C=CC=C3)C=CC=C4C,RPJJKNPKIKRYSE-UHFFFAOYSA-N
-88D395876E798C20_726BC99255383623_6026_DP,[S](=O)(=O)(C1=CC=C(C#N)S1)NCC3=CC(=C(N2CCNCC2)C=C3)F,SYUOGNNCBBQUAO-UHFFFAOYSA-N
-8AC19F13B3D159BA_21E93C9E353A4B05_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=CC(=C3)N4CCCC4,NUGKXCBGIUGICR-UHFFFAOYSA-N
-8B930F04165B6808_C36E6B3B5C65B8FB_6041_UN,C2(=C1C(NSC1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,GLPFJOVYPMEBKI-UHFFFAOYSA-N
-8BBF4D4F2E4517C0_5414F80F21D043E4_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C3=C2CCCC2=NC=C3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,ARUOMSGIWKDWCF-UHFFFAOYSA-N
-8CD2F8930F500BEC_84B65C6953DD1FE1_6041_UN,CC1=NC4=C(C(=C1)NC2CN(C)C3(C2)CCC3)C=CC=C4,OFWKHNBOLIWXOG-UHFFFAOYSA-N
-8F1715C647FDE149_4425187C5254E6BC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC[C@H]3C[C@@H](OC)C3,YJPMNJSVJQNYMA-GSJFWJNXSA-N
-8F517B6945165FA0_98A1CB4826903FD8_6028_UN,ClC1=CCCN(C1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,JOXDYURTBZSAQY-LBPRGKRZSA-N
-906882DEFE281B64_BFCC14A506EB03F3_6041_UN,CC1CCC(=O)C2=C1C=CC(=C2)NC3=C(CC)C=CC=C3,GZKTULADRNKMIV-UHFFFAOYSA-N
-922539700D0E1C04_988AB1D1B2D9A8C3_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=C(C)S3)C)(=O)=O,MCFJWKGRNVOCMZ-UHFFFAOYSA-N
-924247245BBB483A_A964956A6C64E124_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC3CCN(CC3C)C)C,SCVYGDDNOSFVMQ-UHFFFAOYSA-N
-927BADE33D1F3D3B_A7C2E9AC4FD84D83_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)(C)C(=O)O,ZKNRFFPNVIRIKK-UHFFFAOYSA-N
-9350DBB16BA1378C_5E0102FD8DCEF02A_6041_UN,CC1=C(C=CC(=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)N4CCCC4=O,CEHHNAXZQHCGQC-CRAIPNDOSA-N
-93ACDE3FA940013F_1172EC13AD7A92E5_6029_UN,CC1=CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,FPTHRCMGJQERRU-UHFFFAOYSA-N
-9413FCB989C42455_1830E299129DA788_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,IYSOPEIYSOAMHW-UHFFFAOYSA-N
-943E0FB90A510B23_48AC49786E5725D8_6029_DP,N(CC1=CC(=CC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,PGXJDEVEMVKFHN-UHFFFAOYSA-N
-9A1B654CF935084F_A168050BECF0BBC2_6029_UN,C(N1CCCN(CC1)[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C3=CC=CC=C3,LOHLOOQBBJPUSI-UHFFFAOYSA-N
-9D75A0202AB5A6B6_665F5F7F129E332F_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NC4=C(N(C)C)C=CC(=C4)F,KNOVPNGHTAECPN-UHFFFAOYSA-N
-9EDD847F58BA2636_904745E23CC6E878_6006_DP,C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=CC=C(O)C=C3,PCNQDMLCOYVXBM-UHFFFAOYSA-N
-9F76A016C2D7F85A_AEDE249234651F1E_6041_UN,C[N]1C=NC(=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,JTGDJUDABJNXSY-CQSZACIVSA-N
-A043367F1F0378A7_F7A6386B31B6497E_6027_UN,FC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WVSOVNHMXXBOHJ-UHFFFAOYSA-N
-A0D6FB39A68909ED_205822C01C73EB69_6029_UN,BrCC1CCN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,GPDOPJUQZNAJIR-UHFFFAOYSA-N
-A25CED3875C2FE4B_DBD91C92D6EF596C_6028_UN,BrC1CN(CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,ADTNGDGPMOSGPN-UHFFFAOYSA-N
-A45E3B0697204694_7DAC3A48F1E2EDF3_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC(C)C3CN(CC3)C)C,NLIICDUAJQWCFZ-UHFFFAOYSA-N
-A64DB056F3A3715C_CF400E5F0C129BC0_6029_UN,CN1CCC(CC1)OC2=C(C=C(C=C2)Cl)N[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,KFOJQNFLCPAHHG-UHFFFAOYSA-N
-AB2BF21F46ABA03E_F20664E1B7E1B689_6029_UN,C(C1CCN(CC1)[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C3=CC=CC=C3,IAUKOLHEKFDNJT-UHFFFAOYSA-N
-AB705EC092A24983_6C2582D5D4097D55_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC3CN(CC3C)C)C,GQOYNKSEWDNUIT-UHFFFAOYSA-N
-AC1E3F56DFAA83F5_CA513F246C7BA98A_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CF)CCC(=O)O,JWIGHGIVWSJLQJ-NSHDSACASA-N
-ACCE1A11AB1BBE61_036B594FB0801194_6038_DP,CN(C)C(=O)C1=C(C=CC(=C1)NC(CN2CCNCC2=O)=O)C,VXAIWIPAMHFTIX-UHFFFAOYSA-N
-AE92938B0E063955_90F42119EBCC150D_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NCC3=CC=C(N2CCC(C)CC2)C=C3,JBJGMVWCHQLBRW-UHFFFAOYSA-N
-B3C8CAD5A5506A77_B46180ACEA98B69A_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,ZCUYCEGRSFEXKE-UHFFFAOYSA-N
-B46D9A63CEACA630_21FAC3993B9CC681_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,CFVRUVYDMYWUQL-UHFFFAOYSA-N
-B7AE4D7C65B64C50_CD907AD861C24472_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=C(C=C2)SC3CCCCC3)C=CC=C4[N](=O)=O,SNJQQWRGYNWCEQ-UHFFFAOYSA-N
-B9656CC652141FC1_EA65D47DD813FB6D_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CCN(C)C4(C3)CC4,IAPVTZUIBQJBMC-UHFFFAOYSA-N
-C258DFE32E13A423_2D425B548794AE76_6028_UN,FC1CN(C1)C2CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,HSZOHHMNSSKRHV-UHFFFAOYSA-N
-C29E14C1E3F76D38_FD936D3314D3A240_6029_UN,OC1(CCN(CC1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)CC4=CN=CC=C4,MVJNUSKPWPOSIP-UHFFFAOYSA-N
-C2DFDE3AF9B8DF5B_BB317D1BA363448E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C(=CC=C3)Cl,PQLMABRQCZNQJH-UHFFFAOYSA-N
-C385015BF396EF44_D36316D458D98663_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(CC)C=CC=C3,PIRNVZKXKYTJCU-UHFFFAOYSA-N
-C3B63814F818B14C_AA7581A2BAA4FAA1_6029_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C4=CC3=C(OCC[C@H]3O)C=C4)(=O)=O,CCSZITGNPJFMAG-HXUWFJFHSA-N
-C632E354BF141CF5_D10CFE6B504618A2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@H]4[C@H](C3=CC=C(C)C=C3)C4,KLAGKXOQQLFEHX-FCHUYYIVSA-N
-C6836A8D2C7EA5B7_A636BF9596B4902B_6041_UN,CC1=NC(=C2C=CC=C[N]12)NC4C3=C(C(=C(C)C=C3)C)OC4,VHYFUINSILPIGU-UHFFFAOYSA-N
-C6CB7146A3E84479_E49400969EA69B3F_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3)C#N,KIGYSQITDBLHGP-CQSZACIVSA-N
-C7AAE6BA503C3CB8_DC2096211FA25077_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC4(SC3=CC=C(C)C=C3)CCCC4,IUUSCHPCOPRWSJ-UHFFFAOYSA-N
-C84BC83C73F31B9B_F393D0C252BD1734_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=C(O)C=C3,FVNLQTTXVJEGSD-UHFFFAOYSA-N
-C8C60CC5D9CC3658_31FB19B7F219A443_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=C(C=CC(=C3)C)F)CC4,BOMTVYDMWNODHU-UHFFFAOYSA-N
-CC2ED1539A713DB5_37D6F3239E0DB719_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(C(OC)=O)C=CC=C2)=O,GXJDWBGMJAOLRS-NSHDSACASA-N
-CDDC7B7F8145F9B5_7379A3B858AC3C86_6041_UN,C1(=C(N=CC=C1)C2(CC2)C#N)NC3=CC=CC4=C3C(C)OC4=O,UEPIPYDISUAEKC-UHFFFAOYSA-N
-CFAC955304D903E9_FA3C769122B028DD_6041_UN,CC1=NC4=C(C(=N1)NC2=C(C=C(N(C)C)C=C2)C)C3=C(CCC3)S4,XVZOKVKHGXERBM-UHFFFAOYSA-N
-D2635840D542B668_82AD4A46799CC479_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC(C)C2=CC(=C(C=C2)N3CCN(C)CC3)F)[NH]4,YBAXUUQJLYITII-UHFFFAOYSA-N
-D40F373AC6DBBB1C_73B538FAB7E66A0E_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,HFVYJMYRACFGFL-UHFFFAOYSA-N
-D51087F2DA703D1C_8D393E97B12B2A68_6027_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,PHCZEGGTKUZVFI-UHFFFAOYSA-N
-D51087F2DA703D1C_8D393E97B12B2A68_7015_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,PHCZEGGTKUZVFI-UHFFFAOYSA-N
-D76981C99B15760B_97CE7A5C1A0B4894_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C=C(C=C3)N4CCCCC4)F,NNCRSELRLNSONY-UHFFFAOYSA-N
-D7FC933D4CF48B50_D7E8995BC83738B7_6043_UN,C1(=NC(=CC=C1)C2CC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,NVTCGCRCKFTTOR-UHFFFAOYSA-N
-D82635E37CBB43F2_CF2C9449F0E0B7CE_6038_UN,N(C1=CC(=CC=C1)C[S](=O)(=O)F)C(=O)C3=CN2C(=NCC2)C=C3,UTIFSZFODYQIQS-UHFFFAOYSA-N
-DB8BEED83526F8E9_5304F2D68A918AC8_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O)C4=CC=CC=C4,JVLSOGTZKIUYRU-UHFFFAOYSA-N
-E1CC4F3293E1B44B_D2E00EDA33CEFC38_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=C(C)C=CC(=C2)N3CCCCC3)F,GJRHTWZLFWMGNR-UHFFFAOYSA-N
-E3989B57E36E8C15_185D3E43E2DDB142_6041_UN,C2(=C[N]1C=CC=CC1=N2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,HDJGIIBMSNRQAA-HNNXBMFYSA-N
-E48722C36A523D76_7B4678FD2B42F021_6029_UN,COC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(CO)C=CC(=C3)Cl)(=O)=O,YBESGFYCDPZQTL-UHFFFAOYSA-N
-E63BFC82A35BAC03_2F476AA2453B6EDE_6029_UN,N(C1(CCC1)C#C)[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O,IKVKFNRUAHSUCD-UHFFFAOYSA-N
-E729AFB37B2ADE00_42DAFBC7504BF060_6029_UN,C[C@H]1[C@@H](CC=CC1)N[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,DRCZHIOXBBFLHP-IUODEOHRSA-N
-E7865738D511120F_9003C7DDC6301288_2201_UN,CC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C5=C4C=CC=C5,PVZWBJKIXGMUNW-UHFFFAOYSA-N
-E7C132E63755885E_E2CAE6B7BC2A730F_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C)C(=CC=C3)Br,LSHCCYCDGBNFJP-UHFFFAOYSA-N
-E86C766D603484C4_C6E2B5D3B7C50CED_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,PGZKCFOUXFTEIO-UHFFFAOYSA-N
-E93C56C24595D1B1_AD8A11CA985DE997_6041_UN,C1(=CC(=CC=C1)N2N=C(CC2=O)C3CC3)NC4=C(N(C)C)C(C4=O)=O,STLWZFPGCDFQAL-UHFFFAOYSA-N
-EA8561FD8FE1B757_0AC4B0C0A9274D6C_6041_UN,C1(=CC=C(C=C1)C2CCCC(=O)C2)NC3C4=C(OCC3OC)C=CC=C4,NEQTZUXCOXJLIP-UHFFFAOYSA-N
-EAA12F9A4D59CA21_DD8409130833D1F0_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(CCC3(C)C)C#N,JLKMRLJESOEENQ-UHFFFAOYSA-N
-EC4BC6F816C404A3_9A5AA661D7872849_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC[C@@H]3C[C@@H](OC)C3,YJPMNJSVJQNYMA-MJHDQNEOSA-N
-EC8F79FCEAD83273_526F6355175FB6A1_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,HEEUWHUFJJHTCI-UHFFFAOYSA-N
-ECA78CD8CFC953A9_D67464830883E188_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)CC)(=O)=O,VWVFDFQWDPHASU-UHFFFAOYSA-N
-EE5A57D918A84B0A_36FF5FDC929FE9B2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCCCC3)CC4=CC=CC=C4,CFCABJJCKKGSKJ-UHFFFAOYSA-N
-EEF7A821C34B97AA_4EF702E2AF5E070D_6029_UN,COC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(CO)C=CC(=C3)F)(=O)=O,DBIRBXUBNKEBLG-UHFFFAOYSA-N
-F212D586D8C7CD26_0B0752BBFDD00DFB_6038_DP,N3C[C@H](NC(C2=CC1=C(OCC[N+]1(C)C)C=C2)=O)CO3,YUIOLHZLAJUTIB-NSHDSACASA-O
-F2CF1C4C445E4749_D2FEC0B1415BFBBB_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC=C(CCO)C=C3)(=O)=O)C4=CC=CC=C4,HAQIXGCFKOWSER-UHFFFAOYSA-N
-F316E384054047B3_6E37FB29973473D4_6038_UN,COC1=CC=C(C=C1)OC(C2=CN[S](N=C2C)(=O)=O)=O,XLJHUXZBIKPVAL-UHFFFAOYSA-N
-F4B0497196090D53_497817C88912BD82_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(OC)C=C(C=C3)I)(=O)=O,FNPQINMENAAPNK-UHFFFAOYSA-N
-F662AE46B0E30F0C_21274C3911DCF9B3_6038_DP,N2CCCCC(NC(CC1=C(CC)C=CC=C1CC)=O)C2,NAJDIVZVDBHDSC-UHFFFAOYSA-N
-F79B983E0521615D_430E8B1CA278140C_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@@H]4C3=CC=CC(=C3OCC4)C,IWNGGEJXASUREM-ZDUSSCGKSA-N
-FF22BD46F8B090E0_E4182D9653D9649C_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=CC(=C2)N3CCCC3)C=CC=C4[N](=O)=O,PYCIDKPQJWLMQG-UHFFFAOYSA-N
-FF5D8BBAA052DCFD_85F48F422961425E_6029_UN,FC1=CC=C(C=C1)C2CCN(CCC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,VYVRWURMXFTZOI-UHFFFAOYSA-N
-FF89F84D5396D9E7_2809B1A8BBE5B839_6041_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NC4=C(C=C(N3CCCCC3C)C=C4)C,ANYQRUONFSBVSQ-UHFFFAOYSA-N
-rxn:2:100822:151893,CN1CCc2cnc(C3CC(NC4CC5(CCS(=O)(=O)CC5)Oc5ccccc54)CCN3C)cc21,SWSHDZFEHIZQMW-UHFFFAOYSA-N
-rxn:2:102524:162580,CCC(Nc1ccc(N2CCN(C)CC2)c(C(C)C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,UABBXKVEDHELDK-UHFFFAOYSA-N
-rxn:2:106245:149518,CCCC1CCN(c2ccc(C)c(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)c2)CC1,QMKZBIJUNAHRGD-UHFFFAOYSA-N
-rxn:2:111224:166005,Cc1c(CN2CCN(C)CC2)cccc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,QRDVFGBBKVKLOB-UHFFFAOYSA-N
-rxn:2:111757:93665,CCN1CCS(=O)(=O)c2ccc(NC3CCN(c4ccc5c(c4)OCCO5)CC3)cc2C1,SDYXNONWAMNUGE-UHFFFAOYSA-N
-rxn:2:111769:160422,C[C@H](NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCCC2)cc1,HFTGSJVSIAUEMQ-NRFANRHFSA-N
-rxn:2:111769:166005,C[C@H](NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1)c1ccc(N2CCCCCC2)cc1,CECIASGMIVAAHG-NRFANRHFSA-N
-rxn:2:116102:143203,Cc1ccc(C(C)NC2CCC(c3nc(C4CCCC4)c(C)[nH]3)CC2)cc1-c1cccc(S(C)(=O)=O)c1,VYCACVLPKGDOAN-UHFFFAOYSA-N
-rxn:2:117913:162580,CCC(Nc1cnc(N2CCN(C)CC2)c(C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,HJWQPCUDLRKLSG-UHFFFAOYSA-N
-rxn:2:121922:153335,CCS(=O)(=O)c1ccc(C(Nc2cccc(C3CCC4(CC3)CC4)c2)C2CCCC2)cc1,UPBOSJXESUDGLH-UHFFFAOYSA-N
-rxn:2:134766:130197,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(C)CC2)nc1C,RHAIWIGHKPWFOW-UHFFFAOYSA-N
-rxn:2:65843:148296,CS(=O)(=O)c1ccc(C2CCC(NC3(c4ccc(C5CCCC5)cc4)CCCC3)CC2)cc1,KCURQUOWPAQZFK-UHFFFAOYSA-N
-rxn:2:68704:77940,CCS(=O)(=O)c1ccc(NC2CCC([C@H]3CC[C@H](c4ccc(C)cc4)CC3)CC2)c(C)c1,ITXFPVXDIZOFNO-DCVMKPNVSA-N
-rxn:2:82002:162580,CCC(Nc1ccc(N2CCN(C)CC2)nc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,AWKUANQEVPRHNA-UHFFFAOYSA-N
-rxn:2:85575:135127,Cc1nc(N2CCN(C)CC2)ncc1C(C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1,GFYKTBLJPYBENL-UHFFFAOYSA-N
-rxn:2:87117:103107,CCC(Nc1ccc2c(c1)CN(C)CCS2(=O)=O)c1cnc(N2CCN(C)CC2)c(C)c1,YPGQSGYTIDKPCD-UHFFFAOYSA-N
-rxn:2:87117:78354,CN1CCN(c2cc(N3CCC(Nc4ccc5c(c4)CN(C)CCS5(=O)=O)C3)ncn2)CC1,QMMGCTRLVNPTNM-UHFFFAOYSA-N
-rxn:2:87205:166005,Cc1ccc(N2CCN(C)CC(C)(C)C2)cc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,UPARMBNJYOTLJR-UHFFFAOYSA-N
-rxn:2:89642:78567,CC(CCS(C)(=O)=O)CNC1CC(C2CCCCC2)Oc2ccccc21,XPIMFYIIMXWRJX-UHFFFAOYSA-N
-00311DCCF6BBC0D0_A87D706856BB0977_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC3=CN=C(N2N=C(CC)CC2=O)C=C3)N4CCOC4=O,MNNDVKSVUNOJGI-UHFFFAOYSA-N
-008E67FCBF9F7D24_0C84A57422F4882F_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(F)F)C=C2)(=O)=O,HPKUXIIEGRDLGO-UHFFFAOYSA-N
-008F477910933F12_84972AF9C1621C2C_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC([C@H]3[C@H](C(OC)=O)C3)C,ZIBBNCSDIWDYMB-CBMCFHRWSA-N
-02090A5002CE1AA7_902EBF1FA2B61487_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC=C(C=C3)C4=CN=CS4)(=O)=O,UOUPDQDVYCMEKU-UHFFFAOYSA-N
-024524B67F9AEA07_D9D5DCAD0BFD687B_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=NC=C(OC)C=N3)=O,HMZHDGVGYRSFPU-UHFFFAOYSA-N
-02C12C9720436465_48DB4AC3DC13E106_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC2=CC=C(OC)C=C2)=O)=O,YXJDTJFUMJYRSA-NSHDSACASA-N
-042A0EA493A728E5_D380D5CA73F9D5E0_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=CC(=C(C)C=C3)N4CCCC4,OHEIWRPAJXVVTQ-UHFFFAOYSA-N
-0526363BA4D2B796_9161A76549B83BEC_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C=CC(=C3)C(C)C)C,WWTZISLMTVPRLN-UHFFFAOYSA-N
-05ADE8C55F950AEF_E7F999BBBC5F9E06_6006_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=C(C)C=C2)C)N3CCNCC3,CVFJGNXQKCKCLG-UHFFFAOYSA-N
-0677D0CF333865E4_BDF3482DD96C0706_6038_UN,CC(=O)CNC(=O)C1=CC=C(C=C1)C=C2SC(=O)NC2=O,PLGIRVFZVSFCNF-UHFFFAOYSA-N
-067B5BF742E7F5BF_8C6E2C8E28B3CC21_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,DJSSWECLXNAINU-UHFFFAOYSA-N
-07A22D37324397AD_8157A127C52E4080_6029_UN,N(CCC1CCC(CC1)(F)F)[S](C2=CC=C(C(C)C#N)C=C2)(=O)=O,UQSFZQFSPXUSAO-UHFFFAOYSA-N
-08E3218791FD4A22_6E351FA6F62BCF12_6029_UN,CC1CC(CN1[S](C2=CN=C(N=C2)[N]3C=CN=C3)(=O)=O)C4=CSC=C4,BJVMPTIGPWPMAZ-UHFFFAOYSA-N
-09E018C0B08AFB2E_43DCEF4A20B930BF_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,LEEIUOFNNAAQHV-UHFFFAOYSA-N
-0A3FA75F2ABDF6AC_A27D279FF2C8494C_6041_UN,OC(=O)C1=C(C=C(C=C1)NC2=C(OC)C=C(C=C2)C(=O)N(C)C)N3CCCC3=O,URSDQSGRZCHVDK-UHFFFAOYSA-N
-0B85103EE4907C5A_3C1AACC5A379A65D_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NC3(C(N(C)C)=O)CC3,JPZFJYZBDJELGS-UHFFFAOYSA-N
-0B8635AFAD0838F2_5B8F38E00E5A6C29_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C=CC(OC)=O)C=C2)=O,ZBYYPTIQMLKICO-GFCCVEGCSA-N
-0DD93F233EEED8DE_B105BB69E618146F_6031_UN,CNC(=NCC(=O)OCC1=CC=C(C(OC)=O)[NH]1)NC,GFUXSKDWYCKKMW-UHFFFAOYSA-N
-1002A4E0C9BCD698_9D0EF202CB7AF588_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,RWMKKASLSQKNEY-QFBILLFUSA-N
-10585BD0826573CE_9E3E40EFB7AF85F3_6029_UN,C1CC(CCN1[S](C3=C2C=CN=C(C2=CC=C3)C#N)(=O)=O)C4=CSC=N4,IQAOXMGOQGMZJY-UHFFFAOYSA-N
-10714808E6BB922A_2E3CC27DEFED3FE5_6034_UN,CCNC1CC(=O)N(C1=O)CC2=C(C(OC)=O)SC=C2,IUBCQDBKZVGNTR-UHFFFAOYSA-N
-12AF9F559D2E4774_66C38C251281E745_6029_UN,CC1CN(CCN1[S](C2=CN=C(Cl)C=N2)(=O)=O)C3=CC(=C(C=C3)C)C,AWGOJFSTNLSCHO-UHFFFAOYSA-N
-15E6E3EAC80AD483_99B51F75BC384D46_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CN=C(N3CCCN(C)CC3)C=C4,LANQBXOJTCMWHL-UHFFFAOYSA-N
-17BA62A2968F3D6B_BB10E28FAF39CFC3_6038_DP,CN(C)C(=O)C1=CC(=C(C=C1)C)NC(CN2CCNCC2=O)=O,DAGPCKZQGNXLHJ-UHFFFAOYSA-N
-17E4C48AE25A5A14_C01E3939E1F0975C_6041_UN,C1(=CC(=CC=C1)C2=NC(=N[NH]2)C#N)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,LDXYOPSKPSPKTL-GXICYEEUSA-N
-1892F86C62350B9F_DCD87871DFCA563E_6028_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,PDMGMOSIZOIDDP-UHFFFAOYSA-N
-194B47AF66ED9F7D_5F2B0CCEAAECA6EE_6029_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,TVWZGIRBASSTSL-UHFFFAOYSA-N
-1A1EBB4B1B84D659_26DD92DE06787433_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,ZXLJRIJVMCGWPE-UHFFFAOYSA-N
-1AAEC8CD5B494FC2_F0F842A1D6D2110C_6029_UN,OC(C1CCN(CC1)[S](C2=CC(=C([C@H](C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,DCFYXTOSYZYLQS-PVCZSOGJSA-N
-1B0C29939E6B075B_A42805894AB0805B_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC(C)=O)(C)C)=O,DZGMDHYWZBKIMU-UHFFFAOYSA-N
-1C5348BFD43C093F_836A6F4C14C01549_7022_UN,C1(=CC=C(C=C1)C2=C(C=CC=C2)F)OC3=CC=C(C=C3)O[S](=O)(=O)O,IMPXBPSULYHYQD-UHFFFAOYSA-N
-1DDCD723CF2B453D_CC9F3DC1D8D5E058_6041_UN,O=[N](=O)C1=C(C=CN=C1NC3=C(N2CC(C)(C)C2=O)C=CC=C3)C#N,BJDPLEMUCFKTBQ-UHFFFAOYSA-N
-1F1DA7E8DF208AC1_62B76D581F345493_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,KICFIIRALILSEU-UHFFFAOYSA-N
-1F227CE57C21C05F_C28F68C5B670F546_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,MMRRABZNNLOVDD-UHFFFAOYSA-N
-1FE265BD68175152_FF0B2ABF96C4D6C3_6029_UN,CC1CN(CCN1[S](C3=N[N]2C=CC=CC2=N3)(=O)=O)C4=NC=NC(=C4)N(C)C,YXOSWNXWGRNFTL-UHFFFAOYSA-N
-212C5820744F920D_2109CE478D055C68_6038_UN,O(CCCN1CC(=O)NC1=O)C(C=CC2=C(OC)C=CC(=C2)C)=O,YHJJOAYEENAEOW-UHFFFAOYSA-N
-21CF045C22C30641_A9635A2EFA491480_6038_UN,C[N]1C=C(C=N1)N4CCC(NC(C2=C(C)C3=C(S2)C=CC=C3)=O)C4=O,IEFZGLOWPHUOLH-UHFFFAOYSA-N
-230CE0557ACA04AC_6CBA99CFE03E62AA_6029_UN,C1CC(CCN1[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CSC=C4,QTXZHGRBNOTHST-UHFFFAOYSA-N
-2361A2278E3598CC_4C4F080837B6E55B_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NCC=C(C(OC)=O)C,LWIQDZQYXVAIDS-UHFFFAOYSA-N
-245B66C22EA6B8F6_59AAB3908A7155CE_6041_UN,OC(=O)C1=C(C=C(C=C1)NCC2=C(N(C)C)N=CC=C2)N3CCCC3=O,IHUXWUMLJSDEAL-UHFFFAOYSA-N
-260156BFB960FA0A_6346525B292BFB2A_6038_UN,N(C1=C(C=CC=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,GOMHXVYMTYKOHG-UHFFFAOYSA-N
-27E3E9EC45D6655D_B8EB2B8E22174500_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)N)C(=O)C2=NNC(=O)CC2,KATGLZWGNKQKCB-UHFFFAOYSA-N
-28A9043A3CC78C03_C801DC774055966C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NCC3=CN=C(N(C)C)N=C3,AGIJVEZODQJFQR-UHFFFAOYSA-N
-3016EEE1AB145F62_3DF88670C1A80F01_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NCC4=CC=C(N3CCN(C)CC3)C=C4,ISMKWCMPIZSZRR-UHFFFAOYSA-N
-30DB77177392DDF9_6753808BB5959CE0_6029_UN,CC1CN(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=NC(=CC=C4)C,UDMQJIWNAOFWJU-UHFFFAOYSA-N
-37A382C14A6313B4_FFC0D839BFDAD575_6038_UN,CN(C)C2=NN=C(CNC(COC1=C(C(C)C)C=CC(=C1)C)=O)[NH]2,LDNHCVYPYNZGED-UHFFFAOYSA-N
-38FA82200480EB03_FAF9072F84555DF1_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CC4)Cl,YXKJKMDUQVMOAR-UHFFFAOYSA-N
-39F493C6D9ED9D84_28DD3177DCE589FE_6029_UN,CC1CC(CN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=CSC=C4,VOEUFPZKKIYSEE-UHFFFAOYSA-N
-3AD64DF11FCE877B_F8A0B7B1ED91614C_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4)Cl,LRFHNELTRKTFGK-UHFFFAOYSA-N
-3B4C4068FA8438A7_C8AB5A238407EF97_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=CC=C(N(C)[S](=O)(=O)C)C=C2)[N]3C4CCCC4,BDHZNILAEHEQRQ-UHFFFAOYSA-N
-3B64046A0D902540_796543E499CFE513_6041_UN,C[S](=O)(=NC1=CC=C(C=C1)NC2=C(C=CC(=C2)N3CCN(C)CC3)[N](=O)=O)C,RPQROLDWFVEJKP-UHFFFAOYSA-N
-3C06951C5D69D1D5_869B5540CC083DB0_6038_UN,CN(C)C1=C(C=CC=N1)CCNC(C2=C(N=C(C)N=C2C)C)=O,SLJLECXHZPTISU-UHFFFAOYSA-N
-404E79BF24E83C3F_D07902B488601103_6029_UN,N(N1C(CC1)=O)[S](C2=C(CC(OC)=O)C=C(C=C2)Cl)(=O)=O,NCEGQZVTBFMUKB-UHFFFAOYSA-N
-42AB99442AF3FB3F_BC9123E94254DC8E_6028_UN,CC1CN(CCN1[S](C3=N[N]2C=CC=NC2=N3)(=O)=O)C4=NC=NC(=C4)N(C)C,FKGXREILHPDAGP-UHFFFAOYSA-N
-4625CD8F2886ECAB_F745E8B6C6237BC5_6038_UN,CC(C)C(NC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=N[NH]N=N3,IMXHDEGLKFCDJN-UHFFFAOYSA-N
-46D67189259B0CA3_FD9FFD579E241F85_6041_UN,O=[N](=O)C2=C1C=CC=NC1=C(C=C2)NCC4=CC=C(N3CCN(C)CC3)C=C4,ZRNLCIFIFBGTEW-UHFFFAOYSA-N
-4731BB0522A43FC1_3A5EA36AE69BA306_6029_UN,CC1=C(C=CC=N1)CCN[S](C2=CC(=CC=C2)C3CC3)(=O)=O,XSRJGVMTSODYMU-UHFFFAOYSA-N
-476898A7F3BA763C_32681254056994F8_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4,NMJHFRDFOGLIRS-UHFFFAOYSA-N
-47A4EA5D52361612_E38446C21790BC6B_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3CN(C)C(CN3)=O)=O,LAVACWREAVZSSU-UHFFFAOYSA-N
-48018D6E9542661B_168C076B51A85CE1_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,RXOKMCAPPCLKMF-UHFFFAOYSA-N
-481F22FF69A2B878_4EE20A5B4575D5ED_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=C([C@H](C)O)C=C3)F)(=O)=O,FPJLCKHMDJSYCV-HNNXBMFYSA-N
-48D04E4B1ABF8D2F_E2E43152E31D63F5_6038_UN,N(C1=CC(=C(C=C1)C#N)F)C(C2=N[NH]C(=C2)C3(C)CC3)=O,OTBZYHIBSBFEEB-UHFFFAOYSA-N
-492CDF223E90A98A_7EDDD74767A6DFDE_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,AFSXZPDPEXGIEF-UHFFFAOYSA-N
-496076BD2A43C916_4DB4F8E701E92B0C_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,OIOZJAVYYFLNTC-UHFFFAOYSA-N
-49EE69D91638DCE6_68136AA73771E55D_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC=CC(=C3)[N]4C=C(C)C=N4)(=O)=O,BWNHWCGWDNNZCI-UHFFFAOYSA-N
-4C5DAB7B55D4E2DF_3F99B522ABC8DE62_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,FTSZYWMOULPMKW-DOTOQJQBSA-N
-4CCD30A7BC8773CB_E26CC4D19632B33A_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,QLBOZWBFXVTOSP-UHFFFAOYSA-N
-4D2AFEBC6EADECD5_0598D3EB50D2164E_6029_UN,N#CC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,XVMTWRFOTXSKNO-UHFFFAOYSA-N
-4D5BF86D02734D41_925C9510836C417B_6029_UN,C1CC(CCN1[S](C2=NC(=CC=C2)[N]3C=NC4=C3C=CC=C4)(=O)=O)C5=CSC=N5,WXJUKOAJDCBART-UHFFFAOYSA-N
-4DA9812BB2537D66_8FA964F438354D94_6029_UN,C1C(CN1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,PBLRYJNJTZXNJC-UHFFFAOYSA-N
-4DCE22153514FEC4_B30A688101689799_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,UFEXJTINIJNEJV-FQEVSTJZSA-N
-4F2D236254B3722A_B8944638238348B8_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CC(N(C)C)=O)C=C2)=O,XJBFEIWELFKXDU-LBPRGKRZSA-N
-500C762ABE7B7ABD_0DA4E637296CC815_6035_UN,C[C@@H](OC2=CC1=C(C(C)CC(=O)O1)C=C2)C3=N[N](N=C3)C4=CC=CC=C4,UCZMUTLNKIRINU-ARLHGKGLSA-N
-5045B98B6EB25DEC_1A13AEFF01EFDE68_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,BMAUUNYVCCNVRC-UHFFFAOYSA-N
-50ABE4D47FE301DD_3D1A0561F7EB6E1D_6041_UN,CC1(CC1)C2=CC(=CC=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,FKBZGYMVXOVVSS-UHFFFAOYSA-N
-518715DE7AB41F2E_AB26FEF717949508_6029_UN,C1CC(CCN1[S](C2=CN=C(F)C=C2C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,VXCPICCICZYKCR-UHFFFAOYSA-N
-51BBBB4C12528968_D77EF1F4E191CD76_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=C(C=CC=C3)OC4=NC=CC=C4)(=O)=O,SGONPZAZHUKZSW-UHFFFAOYSA-N
-51E8AC55153987AB_05EBB9F7483FCDB4_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CC(C)=O)(C)C)=O,KUQIILSUYJMARA-UHFFFAOYSA-N
-51EAF34D2AB4F532_B6B90717141DA155_6034_UN,O=C(C1CC1)C2=NN=CN2CC3=C(N(C)C)C=C(C=C3)Br,QTNYARBEUKJMKA-UHFFFAOYSA-N
-522FDEAFAF5E13B3_7BE34921810C0551_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(C=C(C(OC)=O)C=C2)C)=O,GQIRFVQKKJTTQT-LBPRGKRZSA-N
-53B3980C2B1EEC24_61F957F616BA5B34_6039_UN,CCNC(=O)C1=C(C(=CC=C1)C)OCCN2C(=O)CNC2=O,JLYUIRVFGXXCLB-UHFFFAOYSA-N
-53FE4E346EBF8CEB_51C209A3C2015116_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(CC(C)(C)CC3)C#N,ROHVRBOIUOPEEM-UHFFFAOYSA-N
-578D5C86530CCF64_D952B5F87C25A048_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NC3=C(N2CCN(CC)CC2)C=CC=C3)F,DTQZPZUIOOIQPD-UHFFFAOYSA-N
-57FAF29C8616874E_072FA37B86862D42_6041_UN,CC1=NN=C([N]1C)NC2=C(OCC(N(C)C)=O)C=C(C=C2)C,COBGLMUOZUZYFE-UHFFFAOYSA-N
-589B152F3AE323F4_19F1D0F0664CE42B_6038_UN,N(C1=CC(=O)NC(=O)C1)C(C3=NN(C2=CC(=C(C=C2)C)C(OC)=O)C(CC3)=O)=O,BQASICWMQWDQPL-UHFFFAOYSA-N
-5D94619D4B0F6F78_FBF6983244414497_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)F,XGSNVXZFUXWSMV-UHFFFAOYSA-N
-5DF3655C6BDCA183_A052FD7AFEB75248_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CC3(CC)C)=O,TUUSFHSKNXPIOG-UHFFFAOYSA-N
-5F1A9EAEA90EE60E_097FC40B08A677F8_6041_UN,COC1=C(C=CC=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)C(=O)NO,RLPHVPYLDHNTGM-UHFFFAOYSA-N
-5F599312BF37DB82_0E6FE2E3DBD6D0E1_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C([C@@H](C)O)C=CC=C3)(=O)=O,GMNILPFPXIMGQP-CYBMUJFWSA-N
-6095685ABF3CB1DF_F46F92BA1E9CCE1D_6035_UN,O(CC1CC(C1)C(F)(F)F)C2=C(C[S](C)(=O)=O)C=CC=C2,AXPDIEXUOGMMCE-UHFFFAOYSA-N
-63C0B22218B20480_C80EEFB20D9387D4_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,GUUMYZPLKOPLNC-UHFFFAOYSA-N
-63DDD0B7A4E7A81F_45487E7514167F48_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[N](C=N3)C,LXEVMWZPLWUYIK-UHFFFAOYSA-N
-64909C28EE59EEFB_E8CCAA6AA0400C84_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,FIEJYLSALINJMG-UHFFFAOYSA-N
-65E8EF230C8BEEF9_A4A1D43681724A6C_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C(CC)=C)=O)C,AJWXOMQTMLCPBX-UHFFFAOYSA-N
-691CEA679D511EEB_2194E2D7C29FFC36_6029_UN,C1CC(CCN1[S](C2=CC(=CC3=C2N=CC=C3)C)(=O)=O)C4=CSC=N4,MSZCBEMYCVPLSD-UHFFFAOYSA-N
-6B43477DB76F450D_BA7E9C3AB9FD3E5F_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NC3(C(N(OC)C)=O)CC3,UKYFOZPJFHXVFA-UHFFFAOYSA-N
-6E4A7ED6CCA52B2F_A60448174BEA32EA_6041_UN,CC1=C(C=CC=C1NCCC(N3CCN(C2=CC=CC(=C2)C)CC3)=O)N=C=O,GYGAITGXBRHGIR-UHFFFAOYSA-N
-70E7B67181097C62_8CBD16B9FA7270D1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(COC2=CC=C(C(CC)=O)C=C2)=O,UZCGGTABASKVPR-LBPRGKRZSA-N
-71D9CF193B500D1D_66D6809167CAC7B5_6041_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC=C(N3CCN(C)CC3)C=C4,NPVKDBVTYGPOAC-UHFFFAOYSA-N
-7B2C5696497FE5A7_AA46CE1C04E1292A_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=C(C)C=CC(=C2)N3CCOC3=O)[N](=O)=O,CJIVERASGLYESJ-UHFFFAOYSA-N
-7CCA934D31CEC831_132561923AF6439A_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4=CC=C(N3CCCN(C)CC3)C=C4,XBDLKRNEAVWQSU-UHFFFAOYSA-N
-8180BC8D0C117C75_0D4679D741463987_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CN=CC=C5,BWEUGUCZYSAWJF-UHFFFAOYSA-N
-81ED7FF8E078D3EB_F8286A377CC7E19B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(N(C)C)C=CN=C2)=O,XCNFZEXHPLSJJK-VIFPVBQESA-N
-830F68F27A2FF9F5_2AF957626E045D25_6041_UN,CC(C)C1=NC(=NC(=N1)NC3C2=C(C=C(OC)C=C2OC)OCC3)N(C)C,NMTNJPYRKZSBBL-UHFFFAOYSA-N
-84D0B5BA0EF6DDBD_6B13B33C41A3024C_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC4=CC=C(N3CCN(C)CC3)C=C4,VFLRNLSHORONGY-UHFFFAOYSA-N
-84E0F8AFFF952A21_5ADCD331733E5D41_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)C(N(C)C)=O)=O,OZKMLXCRJKGEOS-NSHDSACASA-N
-8534257C44EA4318_89E743644571AA04_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,GMNILPFPXIMGQP-ZDUSSCGKSA-N
-888332F21788ACE8_A6037E53C66AD7F3_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4CCN([S](C3=C[N](C)N=C3)(=O)=O)CC4,GZDUTNXTXARMIN-UHFFFAOYSA-N
-89DF62A385D8AC9B_A1239B6BD979E0AA_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=C(C)C=CC=C3)CCC4,SSVNFLSFAVVHSW-UHFFFAOYSA-N
-8AB3B51533942CFC_8806785B14B0EAF3_6029_UN,N(C[C@@H](O)C1=CC=CC=C1)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,NALHSEAJQVOIOL-MRXNPFEDSA-N
-8AD64A55C31017ED_AC79A984A662BECA_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NCC(C)(C)CC#N,KRPKMHUXLDVWTC-UHFFFAOYSA-N
-8B0603463A77D2AA_CE21A82C33E7E99C_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CN=C3)(=O)=O,QXHXMCSNTSXQKR-UHFFFAOYSA-N
-8B37DFD0B0261E58_E3124F735DFF3634_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC(C3=CC=C(OC)C=C3)=O,CULHXUUUBZLWMX-UHFFFAOYSA-N
-8B8948C3BE0DD69B_CA35D1BCE316203B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(OC)C=CC(=C2)C(=O)C)=O,YKUGYTBTDYLVOK-LBPRGKRZSA-N
-8D538D62010A9D60_3AD246D9EDE15D02_6029_UN,OC(C1CCN(CC1)[S](C2=C([C@H](C)O)C=CN=C2)(=O)=O)C3=CC=CC=C3,YBHVCOCRNKINMX-KTQQKIMGSA-N
-904D91AC62FF9A56_C2EA3BA2B735BBFE_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@H]2CCOC3=C2C=C(OC)C=C3)C#N,QVITYJFDOIVVJV-LBPRGKRZSA-N
-9376ABE662F67391_343C6C884D3DD065_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,PPHMFMLIPZCKCQ-UHFFFAOYSA-N
-9899032C9E3B2095_EC491292585F3544_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CC(OC)=O)C=C2)=O,LBCYNOOKSBURLX-NSHDSACASA-N
-995A5611F1AD9F0B_DB8EB62EA9F6006D_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,VYUPDCQWHNFYTA-UHFFFAOYSA-N
-998FE3CAB9070AA7_38DA9B33A76F9AE5_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NCC3=CC(=C(C(OC)=O)O3)C,DGCGXXHESVSIOH-UHFFFAOYSA-N
-9A81716EA990821A_4A803C4ABCD96745_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NCC4=CN=C(N3CCCN(C)CC3)C=C4,JUDGYQJBOHJAPN-UHFFFAOYSA-N
-9BBCEB5A97725416_35581069CA8A2E8E_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,PMNSXEKYZDELLX-UHFFFAOYSA-N
-9C6BB84DD0AB78E2_B983FAE84ED52FAD_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC4=C(C(N3CCC(C)CC3)=O)C=CC=C4,IFVHSUKBJPZRTK-UHFFFAOYSA-N
-9CC9A4B56B44C7E8_EE6E3C5F0DCE29F5_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=CC=C(C=C2)C3(CC3)C#N)[NH]4,ALRNDBMCRVMTNP-UHFFFAOYSA-N
-9EAEAD6FF50BDD64_A63B439752703950_6029_UN,CC1=C(C=CC=N1)CCN[S](C2=NC=C(C=C2)C3CCC3)(=O)=O,GIPBUZUMNNAQOB-UHFFFAOYSA-N
-9EB4582A68999DF4_B961E6D738E22820_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3(C(N(C)C)=O)CC3)C,LREVGMOJQHDTOQ-UHFFFAOYSA-N
-A5CE2945461CAC3D_AE93874D4BF0B9C5_6029_UN,CN1CCN(CC1)C2=C(C(=CC=C2)Cl)CN[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,WJUDOPGATDZMPP-UHFFFAOYSA-N
-A8620FCED4FD97A1_92DEE0EC0F66A629_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3(C(N(C)C)=O)CC3)=O,DGLXFZLXYUXTHU-UHFFFAOYSA-N
-A8680A72A76F4B00_B89B7E0918D9109E_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)N[C@@H](C(N(OC)C)=O)C,MZRKCKKWXNOJOM-SECBINFHSA-N
-AA2FD5B486795BB0_AE48233F33E50FE7_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NCC4=CN=C(N3CCC(C)CC3)C=C4,DQZTWIUXTCPPES-UHFFFAOYSA-N
-ABFF2EFCD6205600_2FCA0C64622C871C_6038_DP,CC(NC(C3=CC2=C(N1CCNCC1)C=CC=C2S3)=O)C4=C[N](N=C4)C,WJWYJYQQJUGVST-UHFFFAOYSA-N
-ADFA34F4D0E44EA7_BF4DC6F2CAD8DE8A_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=CC(=C2)C(OC)=O)=O,VBROGVCUOWDKMA-NSHDSACASA-N
-AED444238A737563_667038AEA7E31AE7_6029_UN,CC1CN(CCN1[S](C3=C2[N](C=C(C)C=N2)N=C3)(=O)=O)C4=NC(=CC=C4)C,IWHWDLDYVZKTKB-UHFFFAOYSA-N
-B02DB5CF184CD283_EB4B55AA22023798_6029_UN,CC1CN(CCN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=C(C=C4)F,YPKYRUKNXZXZJZ-UHFFFAOYSA-N
-B180D48ABF1ACE7C_E1A259D99F23442E_6041_UN,O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NC3=C(CCC3(C)C)C#N,IHTYCDIMHMIURO-UHFFFAOYSA-N
-B1A3F24B4282D2CE_56AA20A9A72F8538_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CN3C(CN(C)C3=O)=O)=O,ALLKKXRDTCPARC-UHFFFAOYSA-N
-B1D5BC71B56B4619_3D3111498E6F57D6_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C4=CC=C(OC3=NC=C(C)C=C3)C=C4)(=O)=O,KBIMZAHXUCXPFC-UHFFFAOYSA-N
-B4BA06860E23257F_40D81E2AC1921C21_6041_UN,CC[N]1N=C(C)C(=N1)NC2=C(OCC(N(C)C)=O)C=C(C=C2)C,YKZIWOOGCVDLND-UHFFFAOYSA-N
-B758C121F0A9C846_68653C29A59CBF5F_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,UFEXJTINIJNEJV-UHFFFAOYSA-N
-B8C9B909F79CD8A6_175F3B3DD9975050_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(OC)C=C2)[N](=O)=O)=O,WKDSCGSJXWRWPP-SECBINFHSA-N
-B9467A271DD200C2_88D2DF41708F953B_6041_UN,O=[N](=O)C1=C(C(=C(C=C1)F)NC3=C(N2CCN(CC)CC2)C=CC=C3)F,WBSWDSMUVQSWQW-UHFFFAOYSA-N
-B964EB473AB2929E_948557BBA0BF215D_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C(N(C)C)=O)C=CC=C2)=O,DXXURFKDOQUMBU-NSHDSACASA-N
-B9D372D1D56F93E2_1A3ABE3C3CC08C86_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC4=C(N3CCCN(C)CC3)C=CC(=C4)F,RSQAJNXRVXRLRA-UHFFFAOYSA-N
-BB79FDFF7A848B56_918A307BA4424244_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)N[C@@H](C(N(OC)C)=O)C,HKHJADKCUXDROA-SECBINFHSA-N
-BBAEF63C8E382607_408BE64764AAD392_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC3(CN(CC)C3=O)C,RNLONZSUBFLSOT-UHFFFAOYSA-N
-BD11BE512F9A081B_170CC910BD3562E5_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,AYKMBSAKYZESTN-UHFFFAOYSA-N
-BD3473549396E443_660C8286ADBEB115_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC=NC(=C2)C3CC3)(=O)=O,UWIMQCZNBCBUSL-UHFFFAOYSA-N
-BE390187545B348C_406700D7827BB15C_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,DBCJIMIMVFZTLA-UHFFFAOYSA-N
-BE911608A0473197_C9551E9C2B4AF99B_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,STJUAQHWWMIYCI-ZDUSSCGKSA-N
-BF4DFFC3BFC4EE03_EA7DE8F163B28D97_6041_UN,CC2=C1N=CC(=C(C1=CC(=C2)F)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C)C#N,IKUOCDJOJNULMG-ZWKOTPCHSA-N
-C1E6424861E18B27_BE3E9CC159212EF7_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,YZXIIHXJBXVIJT-UHFFFAOYSA-N
-C20E3D0BE20949C4_F98A2F23760BF5DB_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(SC)C=CC=C3)(=O)=O,ZJWYUEGVISJCNW-UHFFFAOYSA-N
-C3DC9ECD8789838E_985F156AF55FB053_6029_UN,CC1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NC=NC(=C4)N(C)C,XVXNKWFZXSHBQS-UHFFFAOYSA-N
-C59C76D02898D607_96DB87A1417BF9C5_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(OC)=O)CC=C,ZDWMNJGAXHIAGD-UHFFFAOYSA-N
-C5F52BDFF24D064D_AA0349329A4DB1F9_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)C4=NSC5=C4C=CC=C5,KQUZQQQGBUSXQS-UHFFFAOYSA-N
-C6F54102482096B5_0AD6866BC04ACE8D_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(CCOC)C=C2)(=O)=O,SYKNTRAHVUBYIP-UHFFFAOYSA-N
-C8351FE8BF6F32F3_182A6102A0E7074D_6006_UN,C1(=NC=NC(=C1)NC2CCOC3=C2C=CC=C3)C4=CC=C([S](C)(=O)=O)C=C4,JQHMTURQBRFOQY-UHFFFAOYSA-N
-C8DE99E1D6D4466F_94429AF0F96F77F8_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(=C(CC)C)C)=O,YFZYRSRUCFIMCG-UHFFFAOYSA-N
-CA0D37FC3A080218_0385EA5BEF516FB0_6031_UN,O(C(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)B(O)O,JWOQQPCEDJNIPJ-UHFFFAOYSA-N
-CA1ABF34E0553629_DD1F5699A2EB29D1_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(=O)C3=CC=C(C#N)[NH]3,QQLMZRBDDAVZTK-AAEUAGOBSA-N
-CBC55573C806FCF6_32D4AC5452145AE8_6041_UN,C2(=C1C=CC=NC1=NC=N2)NC3(C(N(OC)C)=O)CC3,HPNHRTAIVVXHSO-UHFFFAOYSA-N
-D3114C3F34151DCB_FF92FBA50A3518E3_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC3=C(C=CC(=C3)C)[S](=O)(=O)C,YHDKMZBLENKEAM-UHFFFAOYSA-N
-D71C8F3A948E743C_47BA433131ACEA6B_6041_UN,OC(=O)C1=C(C=C(C=C1)NCC2=CN=C(N(C)C)C=C2)N3CCCC3=O,VBCAQNCPYHNVNY-UHFFFAOYSA-N
-D74F03B436E054B8_087C942D266E073D_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC(C)(C)C)=O)=O,GUANAJKJWKGMIP-UHFFFAOYSA-N
-D77D8042ACC90B73_3F2EB27729FD73B9_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC=C4,JYTXZYPJKNZNDZ-UHFFFAOYSA-N
-D884A6D81EA4B7DF_CCC3BDF60416F16F_6029_UN,C(C1C4=C(CCN1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C=CC=C4)C5=CC=CC=C5,QRPCEIYUKFSMNK-UHFFFAOYSA-N
-D923A43CEB94E0CD_666B0321DEFF6FB9_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC[C@@H](C(OC)=O)C,ZDVDBBZNRWRCRT-VIFPVBQESA-N
-D9CC641973B122FE_967D3C307740B025_6028_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C3=NC=C(C=N3)OC4=CC=CC=C4)(=O)=O,BUGJRMIKZBJHFR-UHFFFAOYSA-N
-DA6702F8644F98EF_4DF3345F80AA1224_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,HBMOSGVCGNQSCA-UHFFFAOYSA-N
-DD9BCD014023C6E8_464C8D07835A3888_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC4=C(N3CCN(C)CC3)C=CC=C4,OFHOOFVCICVUJN-UHFFFAOYSA-N
-DDE6F8B3C22F8A11_505583DB88AC8430_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)F,LNTFUQYMQNKTBD-UHFFFAOYSA-N
-E0DDB62DC9F6A407_16E4D26374298C33_6038_UN,N(C1=C(C(=CC=C1)[N](=O)=O)[S](=O)(=O)N)C(=O)C2=NNC(=O)CC2,GJXJPELDNKNGRB-UHFFFAOYSA-N
-E26123C9234A68B9_EB2C73CFF382B114_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=CC(=C2)CN3CCCC3)C=CC=C4[N](=O)=O,RQFZJZIJRVZQLM-UHFFFAOYSA-N
-E496D4EB73DE6194_0BC9724B95D3B05E_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C=COC2=CC=C(OC)C=C2)=O,JZKNSXIEHCYSNR-GFCCVEGCSA-N
-E552060739DE0A5E_F2201D9278C0376B_6041_UN,CCC(CC1=C(C=CC=C1)NC2C(N(CC)CC2)=O)N=C=O,OJKQUAWMKXHVOP-UHFFFAOYSA-N
-E5EC5B617C35DA94_6C847AFE7B3579C5_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4,UAZPFKDBCZNTQG-UHFFFAOYSA-N
-E6597D081AD15F41_A28765ECEE5E0BAD_6029_UN,CC1(C(C1)CN[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C,YBQJLUWJWBFFCX-UHFFFAOYSA-N
-E68766E3288C5F17_B0869AEB1F3E997C_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2CC(C)(C)OC3=C2C=CC(=C3)F)C#N,RWUOUAFQCXCYJA-UHFFFAOYSA-N
-E7CED7D0B7A4FFCE_8865320478A41935_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=NC=C(N(C)C)C=C2)=O,ZBOAQUSDFVMRQH-JTQLQIEISA-N
-EB57ECEE6C7E7021_B7C1CD3E7C79A057_6041_UN,CC1=NC4=C(C(=N1)NC(C)C2=CC=C(C=C2)N(C)C)C3=C(CCC3)S4,GPLKQDVJEYYOPS-UHFFFAOYSA-N
-ED984F59BDA7C35E_0E65CAB1B2063165_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NCC3=CC(=NC(=C3)N4CCCC4)C,VUCMOSRWQYVUAS-UHFFFAOYSA-N
-EDC16B13700CC7F8_051C7347186D30CF_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C(C)=O)C=CC=C2)=O,RHFDCXGAHHRYMZ-LLVKDONJSA-N
-EFCB47A11E871A66_0B1203DEF59F0E98_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CN=C(CC(C)C)C=C3)(=O)=O)C=CC=C4,YKMHKWUATSKBGT-UHFFFAOYSA-N
-F2CCE8E66958193E_DCF68672687C4788_6029_UN,ON(CC1=CC=CC=C1)[S](C3=CC(=C(CN2CCCN(C)CC2)C=C3)F)(=O)=O,HRNMQBPABAAPJK-UHFFFAOYSA-N
-F51084D1736BA9AD_70926C7DC76FB11F_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=C(N2CCN(C)CC2)C=CN=C3,MAZULMBSIRSCOT-UHFFFAOYSA-N
-F5BE848180A9F4DE_58830AEC4D1A1D90_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,KCGSZYWGRMYXQJ-UHFFFAOYSA-N
-F63FD69E0F1838D8_DECFD51E6F8C7DCC_6029_UN,C[N]4C=C(C1CCN(C1)[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C5=C4C=CC=C5,DWVXVELQOIYMAK-UHFFFAOYSA-N
-F6DDF3C92BD606FE_F0003AA95383A3A3_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=CSC=N4,HKQCQDNYOKOHLL-UHFFFAOYSA-N
-F71B5932A07BC31C_5AC61019F8332721_6004_UN,N[S](=O)(=O)C1=C(N=CC(=C1)C3=C(CN2CCN(C)CC2)C=CC=C3)Cl,NJNYAULTBGNWMK-UHFFFAOYSA-N
-F8898DFEAC34D18B_A7C21C2CE733B21C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=CC=C(C(OC)=O)C=C2)=O,WRCRFMINSGLUDI-LBPRGKRZSA-N
-FBB67C3B685AB8C1_718947466BD34D0E_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,UEHNFRWZCUHNAN-UHFFFAOYSA-N
-FBB67C3B685AB8C1_E58408C39466D240_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,UEHNFRWZCUHNAN-UHFFFAOYSA-N
-FCDD836C41FBF965_DC427222FDBFDEBB_6038_UN,N(CC1=C(C(=NC=C1)N)F)C(CCCC(N(C)C)=O)=O,SATGMQWFDSFBAV-UHFFFAOYSA-N
-FE08376049A6AFA9_C9A1B70B5A32D9C4_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(NCC(OC)C3)C)=O,HBDFHJAEPIXDKH-UHFFFAOYSA-N
-rxn:2:104074:149518,CCN1CCN(c2ccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)c2)CC1,MLTRCBVYSISJPC-UHFFFAOYSA-N
-rxn:2:113632:148294,CN1CCN(c2cc(NC(c3cccc(S(C)(=O)=O)c3)C(C)(C)C)nc(C3CC3)n2)CC1,PTOPNQAUGWRAPR-UHFFFAOYSA-N
-rxn:2:123615:149518,CCN1CCN(c2ccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)c(OC)c2)CC1,ZAMUBVIVKNTWQO-UHFFFAOYSA-N
-rxn:2:129408:149518,Cc1cc(N2CCN(C3CC3)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,KPYWQUKPZWIDRR-UHFFFAOYSA-N
-rxn:2:131231:149518,CCCC1CCN(c2ccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)c2)CC1,CYZFKNNKUZLJAY-UHFFFAOYSA-N
-rxn:2:134766:134221,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCN(C)CC2)cc1C,SVXARIUUESINNQ-UHFFFAOYSA-N
-rxn:2:162900:162580,CCC(NCc1cn2cc(N3CCN(C)CC3)ccc2n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,SKCQUKDXMCHQLZ-UHFFFAOYSA-N
-rxn:2:79967:149518,Cc1cc(NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)c(N2CCN(C)CC2)cc1C,MLCZMUNHZKWHPE-UHFFFAOYSA-N
-rxn:2:80791:149518,CCc1cc(N2CCC(C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,HAJSHYZVWHBACS-UHFFFAOYSA-N
-rxn:2:85575:130197,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1C,NEAISIUJEGTSBF-UHFFFAOYSA-N
-rxn:2:85575:134221,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(N2CCN(C)CC2)cc1C,ALMNYXDXEQGQJY-UHFFFAOYSA-N
-rxn:2:87160:162580,CCC(Nc1cc(OC)cc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,OOZLAOKJHRPCSM-UHFFFAOYSA-N
-rxn:2:91173:162580,CCC(NCc1cccc(N2CCN(CC)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,JVANNEBASOZFPT-UHFFFAOYSA-N
-rxn:2:95227:162580,CCC(Nc1ccc(N2CCN(C)CC2)cc1OC)c1ccc(N2CCS(=O)(=O)CC2)nc1,SAWNRORBCLQNSW-UHFFFAOYSA-N
-004B4B6E8A503FF7_6890E8C21D3F1935_6041_UN,OC(=O)C1=C(C=C(C=C1)NC2=C(OCC)C=C(C=C2)C(=O)N(C)C)N3CCCC3=O,VVHMCEKVSDWVQG-UHFFFAOYSA-N
-0195B255C5A855AF_006646689279B19B_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CC(OCC)=O)N=CC=C3)=O,QTXUNBIJRUWHKN-UHFFFAOYSA-N
-03313CD877A37C6E_5070734B363C36D7_6029_UN,N(CC1CC(C1)=O)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,XBTLVNKVJGXEIK-UHFFFAOYSA-N
-0631E5128FAFEF79_BBA204861B467E97_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,XKNCHYVVXIZRDC-UHFFFAOYSA-N
-065550540E35FE75_F867FEDA4846F3AC_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)OC4=CC=CC=C4)(=O)=O,IYUNAOXLJMXSIF-UHFFFAOYSA-N
-07AFFEA16B6C29A0_5A3D04B06479D86B_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC3=C2C=CC=CC2=NC(=C3C)C,VTLIUEAELXJQKZ-UHFFFAOYSA-N
-08FAA69BC5AB56C8_24D0AE9DAED72B60_6029_UN,CC1=C(C=C(C=C1)CN[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)F,PACXOYPVRAMKEN-UHFFFAOYSA-N
-0A107CEEFB9BC950_72C1FD27F568EC36_6029_UN,FC1CN(C1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,KJVXANYBDMGBRZ-UHFFFAOYSA-N
-0AB7B853A8623C30_6DE1E4B007152C73_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,POPNGTCNCRLLDF-UHFFFAOYSA-N
-0DE5AAD709B1DCFB_6F316B24BDDF1609_6039_UN,O(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)CC3=CC=C(C(O)=O)C=C3,HCEFHJVLLIKKLD-UHFFFAOYSA-N
-13B32828F3FDCDCF_4AB8D42C093A99CB_6029_UN,N(C1CCC(CC1)C2=CC=C(C=C2)F)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,SMFBQZVGWSNVMJ-UHFFFAOYSA-N
-15517A8A1475B36A_F4B4C71835F1FF3F_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C[Si](C)(C)C)=O,IFFKJGSYDRLTTA-UHFFFAOYSA-N
-15E742F376C4BA00_63EF3072AFD69D71_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=CSC=C4C(F)F)(=O)=O,NVZBQWSRQXFRNN-UHFFFAOYSA-N
-169B8B94798F35C2_54FB1FDBEF4E5470_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CN=CC=C4,PFEPLXVCUUOLEN-UHFFFAOYSA-N
-1B6FEB4E603D4CA0_AC94082523D7AE8A_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC=C2)C(CC3CCC(OC)CC3)=O,KSBYNFQRIWFRSK-UHFFFAOYSA-N
-1B9C645B1FA98F1A_54C7A2896595ABDF_6029_UN,N(C1(CC1)C#N)[S](C2=CC(=CC=C2)CCCC#C)(=O)=O,LEOXEIGVTUNDAL-UHFFFAOYSA-N
-1BE708FF9EDA975F_50E4D5436343F4EB_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,UCFQMBAJIGRTLM-UHFFFAOYSA-N
-1EB6A9FC8D69BAF6_A71AE93E2FDE0D34_6041_DP,C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)N[C@@H]4[C@@H](C(C)C)NCC4,BLSNRIJOHSMIJO-PKOBYXMFSA-N
-205753CF3184FC27_ADB17BB6DF24E443_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CC)C=CC(=C3)F)=O,YZIZDXGLRMDYSK-UHFFFAOYSA-N
-205D9B197B2AD2FA_D9D981B467A05DFB_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC(C)CC(C)(C)N,RSDDMNMCLBLPHN-UHFFFAOYSA-N
-20892EC78101BDAD_BA4B8FB9C018C0B3_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,XXIUMSCGGQIDFI-UHFFFAOYSA-N
-216675778C938432_5F795486426D6BF6_6029_UN,CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,PWBZNMREAUKDDA-UHFFFAOYSA-N
-219C8692482D3809_6F9FF56C57070BE7_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,CTRINYNHXRBPSE-UHFFFAOYSA-N
-2270F75458DFA461_044D593EAEC4C953_6029_UN,N(CCC1CCC(CC1)(F)F)[S](C2=CC=C(CSC)C=C2)(=O)=O,SZYKLKJOEZXLCP-UHFFFAOYSA-N
-23A441649A7F606E_4E5DAC9A07223C35_6029_UN,CC(C)CCC1CCN(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,VWTMQTALYMHVGM-UHFFFAOYSA-N
-240ACAE1C1F15922_D10E503010E2C48E_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,FZISCUSBWLZLDM-UHFFFAOYSA-N
-27E09EED1D87C6A1_36614017E111B2DF_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(CC3=CC(=C(C(OC)=O)C=C3)F)=O,WNRXKEBCGDQZDL-UHFFFAOYSA-N
-28F467982962899E_DEB84C450862FA66_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,YWTCODCRHJUNBT-UHFFFAOYSA-N
-29A86A10C3B2A67F_930837D3C0A32FB7_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,HEWNTTAOILUIOW-WHUIICBVSA-N
-2B09B73B3B2886F2_B3CCF68E9638A280_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CSC=C4,FBUZRAJIEWWMLO-UHFFFAOYSA-N
-2C6A677E08C5D97A_78D1DC539E565160_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(COC)=O,NEQLGXLANYVZPT-UHFFFAOYSA-N
-2C7F8091E9D777E7_5C7C63E1701D7C3F_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=CC=CS3,VNDZZGQVYROXCN-UHFFFAOYSA-N
-2D362F7407817D40_696D3E962FE5263B_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(I)S3)(=O)=O,WELONDMLFJXPQF-UHFFFAOYSA-N
-2E600DFC8DE80E34_B0CA6966EFEA3275_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2F)F,RIMMHMMCBKOCHO-UHFFFAOYSA-N
-2E8C05699D4DCE1E_5C0C657B78E91889_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,FLZKUOMTFXFWFO-UHFFFAOYSA-N
-2F76D0C368CE6B12_2A3CE2075696C560_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CN=C[N]2C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,YNMXPOXBKFFJFA-UHFFFAOYSA-N
-30E5655D15AC0D13_4A18DEDFA603AAF8_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CCN(C(CCC)=O)CC3)=O,QAIRCZGVSCGFIX-UHFFFAOYSA-N
-331060B53FA45472_C767D9193F3781E7_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(COC)C=C3)F)=O,NZTYKXSTIKRQGW-UHFFFAOYSA-N
-35D2B803599BC2CD_679E19261705C705_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC(C(OC)=O)F,MPGSOKGTZXUKEB-UHFFFAOYSA-N
-3A1492941BD24986_A6C950EBB8B59DCB_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C(C)(C)C)C=CC=C3,HQMFMBINBRJVBS-UHFFFAOYSA-N
-3C0E535B5F3027D2_733467D153F2B6A3_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CN=C(OC3=CC(=C(C(C)C)C=C3)C)C=C4)=O,HFLZKDOPYQOCCR-UHFFFAOYSA-N
-3C3F39429F41C885_AC98AFE5A9FC37A6_6029_UN,CC1=C(C)CN(CC1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,AHJCZPNYDNFSNW-UHFFFAOYSA-N
-3C49295DC42BD9BD_363E94EEF3512F7A_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,DYVHOEVRHZYPRO-AWEZNQCLSA-N
-3C86FB824E1F1C5F_B2465E5EBE1CA735_6038_UN,N(C1=C(C=CC=C1)C(=O)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,HJOLIOWYACUTGW-UHFFFAOYSA-N
-3EDF7E7BD88F0E43_F50162E734BE5ABC_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCOC)(C)C)=O,WNFRZEYXZILZNC-UHFFFAOYSA-N
-3FB1F0C07D2C623B_D38D5FCBF818E533_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,OBLCBTBKEMPWSS-UHFFFAOYSA-N
-3FE2703FF9A8E395_327F54DE1D55C980_6029_UN,CC1=CCN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,WILQIXSJWXVQBX-UHFFFAOYSA-N
-402C59B30A5736C2_281ED920F35FA2B0_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=CN=C2Cl)(=O)=O)C3=CC=CS3,LPTYBRNBESHCBG-UHFFFAOYSA-N
-40995D3C11B3CBA5_8C8918B336B4506E_6029_UN,N(CC1CC(C1)=O)[S](C2=CC=C(C(CC)(F)F)C=C2)(=O)=O,NFNPNBLYBQFVOR-UHFFFAOYSA-N
-40CEFAEFFAB2FC94_AD2E9194DB028B43_6038_DP,N(C1=C(C=CC=C1)C(=O)C2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,QHZNWHLMJKGPJC-UHFFFAOYSA-N
-41298F2514BF7209_C7BEAF4E18BA7C91_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,HCLNWAFRNLXQRH-UHFFFAOYSA-N
-4152E3274EA18541_CBCBFEAFDAAECFBF_7019_UN,C(C3=NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)N3)=CC5=CC=C(C4=CC(=CC(=C4)C)C)C=C5,PDRPQFFOPCRDKC-UHFFFAOYSA-N
-432CE2B3A1767164_50E49F06366E0B45_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=CSC=C3,JJVIGXZKDMFORC-UHFFFAOYSA-N
-43462C9DA1F6A406_114A23DB10CF22C5_7022_UN,COC1=CC(=C(C=C1)NC(=O)N2C(=O)C=CC2=O)OC,UEVDXTRJNWDJST-UHFFFAOYSA-N
-44441753A0702B16_850109C7CD9558F9_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(=C(CC)C)C)=O,XFIQXFHLPNNZDW-UHFFFAOYSA-N
-4501E0F988BCD0F1_9AC1EB6AD7916BA4_6041_UN,CC1=NC4=C(C(=C1)NC2=CC=CC(=C2C)N3CCCCC3)C=CC=C4[N](=O)=O,WFVIJNSDRRPQFC-UHFFFAOYSA-N
-45B5B9F9C7492C1D_54E68D55552A89DE_6041_UN,OC(=O)C1=NN(C(=O)CC1)C2=CC=C(C=C2)NC3=C(C(OC)=O)SC4=C3C(N(C(N4C)=O)C)=O,HFLDZYIERLPMCQ-UHFFFAOYSA-N
-48A5D496BCC87F94_4F7B0EAD6B879A8B_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC4=CC=C(N3CCCN(C)CC3)C=C4,ZGABAINOAQYYEJ-UHFFFAOYSA-N
-49670DA0CD35CF3D_B52204FF5FE98D66_6041_UN,C1(=CC(=CC=C1)N2C(=O)C=CC2=O)N[C@@H]3[C@@H](COC)C3,NNVWPIMYMLXBAL-MFKMUULPSA-N
-49A54DAEE2DE092D_7C0520B7206AA4A6_6038_UN,COC1=CC=C(C=C1)N2C(C(C2)NC(CCC(N(C)C)=O)=O)=O,ZXQRFHJAZXBCIM-UHFFFAOYSA-N
-49F9ADA2B2293EDF_CDA1B4BED6C21EBF_6006_DP,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)C4=CC=C(O)C=C4,CCXLRHGKWTXJJQ-UHFFFAOYSA-N
-4A1B7820B2EE7111_5055568AE9B071F0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C3=CC=C(C(C2=CC=CC(=C2)OC)=O)C=C3)=O,ABKMDEDIAJXIRM-INIZCTEOSA-N
-4A2B5E645BEB4113_30146965229268CD_6029_UN,ClC1=C(Cl)CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,TYZRMCSJNOTWDB-UHFFFAOYSA-N
-4A3690F9E07CCBF4_8AD83EE20808B6FF_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2Cl)F,WRCCSGPTZHTIPC-UHFFFAOYSA-N
-4C13D9792ADB2C45_19AACDF264C9D657_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)Cl)C(F)F)(=O)=O)C3=CN=CC=C3,TURQSUKOPFOTAI-UHFFFAOYSA-N
-4C319DE6C7A79A4D_DB717B0D835355FC_6006_DP,OC(=O)CNC(=O)C1=C(C2=C(S1)C=CC=C2)C3=CC=CC(=C3)C(O)=O,FYTJQHWAHGGALT-UHFFFAOYSA-N
-4C8FF4FB2FF67AE5_E54CF31D2AE94F03_7013_UN,N2=C(C1=CC=C(C(C)C)C=C1)[N](C3=C2C=CC=C3)C4CCC4,ZINLMNHNPCJWRJ-UHFFFAOYSA-N
-4D6C6F62CE08B018_14073A572AEA6814_6038_DP,N(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CN=CC(=C3)C(O)=O)=O,UBTLRJLXZIGFOL-UHFFFAOYSA-N
-4E8712F1D84EBF94_29EE5A67E2F8F28E_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,FSNXRPHLZHLKTJ-UHFFFAOYSA-N
-4EE2DE1F19CD7309_7CFA96B11357A10F_6038_DP,O(C1=CC=CC=CC1=O)C(C2=CC=C(C(O)=O)C=C2)=O,JCEVSJLBGDEQQG-UHFFFAOYSA-N
-4FAFE7FC560C85D6_F7DF0409050BFD09_6029_UN,N(C(C1CCCC1)C2=C(C=C(C=C2)F)F)[S](C3=CC=C(SC)C=C3)(=O)=O,RNLYSSRUUSTGDU-UHFFFAOYSA-N
-50C073C23718CB2E_0F09192282DA9804_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CN=CC=C3,CZYKAONEMQJUNQ-UHFFFAOYSA-N
-5260A98BAA636411_80F75093D382A0A4_6006_UN,OC(=O)CNC(=O)C1=C(C2=C(S1)C=CC=C2)C3=C(C=CC=C3)O,IQCIZILPHVFTOF-UHFFFAOYSA-N
-53532C03D145719C_9893B234AA3572AA_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)CSC)(=O)=O,JODCIUVDRCSIRE-UHFFFAOYSA-N
-544A2741749FCBBD_AA21B8799CC17C15_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC(=CC(=C2)C)C)(=O)=O,CKQRPOREAHOUGX-UHFFFAOYSA-N
-54D2649A44C01465_01B46363CBE75890_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C(C(C)Br)C=C2)(=O)=O,PLDZHZFYYHTJMP-UHFFFAOYSA-N
-55AC195887E60CD3_2C78F66236E74787_6029_UN,BrCC1CCN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,CKRDOENPQKEWHU-UHFFFAOYSA-N
-560C7A20EB5DB9B9_6B0140FCD83949FB_6038_UN,N(CC1CC[S](CC1)(=O)=O)C(C=C(C2=CC=C(CC)C=C2)C)=O,OYIJWVHVTVGFKO-UHFFFAOYSA-N
-5749E3ED3E83A2DB_B21419537B66DF3D_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)F)(=O)=O,HTRGEZAAYGQLMF-UHFFFAOYSA-N
-57C04D497A8F2D01_2D8895B303ECC997_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)C[C@H](C(C)(C)C)N,IDSMIBJWKFQOEW-GFCCVEGCSA-N
-5936F7DCA6BAEDE6_D856B6BF61CA085D_6038_UN,N(C1=CC(=CC=C1)OCCF)C(CCC(N(C)C)=O)=O,AXQGZRUJZPQEFH-UHFFFAOYSA-N
-594763C3D7154A11_909C93D2D8060EEE_6038_DP,N(C1=C(C=CC(=C1)N2C(=O)CCC2=O)F)C(C3C[Si](CN3)(C)C)=O,MPJOARDUVIGFQG-UHFFFAOYSA-N
-5C71100A4A1F8186_D4001E67DAAC3B95_6029_UN,N(C1(CCC1)C#C)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,AHCLQHJDGGMSEH-UHFFFAOYSA-N
-5D9A551753B523B2_DD92D095A82C218C_6038_UN,COC1=C(C(=NC=C1)OC)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3,VERCLRMCOGTYTB-UHFFFAOYSA-N
-5E1761498DB5E948_209B36A2CB35D81C_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C([C@H](COC)C)=O,YCHDLZZVVSMWEM-NUHJPDEHSA-N
-5F8804A08B867842_3AF618158FB5BA60_6029_UN,CC(C)(O)C1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,YSTDRLMDVIOBCV-UHFFFAOYSA-N
-61E158082E20B789_110173B4B4F6B853_6034_UN,O=[N](=O)C1=CN=C(I)N1CC(C2=CC=C(C(C)(C)C)C=C2)N,FGKHJSXKPZAJKU-UHFFFAOYSA-N
-61FAF3C58B93EEB9_25F8AE61C499F68F_6038_UN,COC1=C(C=C(C=C1)C(CNC(C2=NC(=NC3=C2C=C[NH]3)C)=O)N(C)C)OC,FLANPRDVDSILSY-UHFFFAOYSA-N
-62EBBD177D9D0423_E2B95122A2109D10_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)=O)CC3)=O,PNEWTUPHUYGIAS-UHFFFAOYSA-N
-6360B0113DB6AD66_CB4FA316DABF41C7_7019_UN,COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,RHXPAPNSDKXZAU-UHFFFAOYSA-N
-63C587AE94B9F736_6268D188F9D34A31_6041_UN,CC(C)OC1CCC2=C1C=CC(=C2)NC3=C4C(=CC=C3)N=[Se]=N4,OVPNKENAGZIKRD-UHFFFAOYSA-N
-646240E2057E00A0_84F6B95CBE3D7D22_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,RCVOZRNWGQHWOG-INIZCTEOSA-N
-6B983DB2BBF8D76F_466E3EA5D2B7C678_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C=C2)F)COC)=O,MTOFUHYSAZBDEM-UHFFFAOYSA-N
-6EB595D3C838606B_221A92DFC5D1A00F_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,OKRMUFWYDFCLJJ-UHFFFAOYSA-N
-6F43ACEB1A46B406_DDC2E819442512FC_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C(F)F)(=O)=O)C3=CC=CS3,BKZOOMWMKGSPTQ-UHFFFAOYSA-N
-6F550416F1D6D293_12CFDE8B0FDCEF15_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,NGHLJSAADBURGV-UHFFFAOYSA-N
-6F550416F1D6D293_AFB9791361B32B89_6028_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,NGHLJSAADBURGV-UHFFFAOYSA-N
-6F7C3491C247E004_B7C84D13CC691A7B_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,ARNJIQOCKNPMLS-UHFFFAOYSA-N
-7123B87C0692DFC4_8EF3AB1766947B78_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CC(=C(C=C2)C#C)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,JPPZGCMFYVIEQP-UHFFFAOYSA-N
-713BA6B84350D9B5_882E52718BFFF13F_6038_UN,CC1=C(C=C(C(=C1)C(C)(C)C)C)OC(=O)C2CN(C(=O)C2)C3=CC=CC=C3,QKJNSBHRDOZACZ-UHFFFAOYSA-N
-72A9A498F80910A7_AAF496BE8E9E3E22_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,NATSKXADIGAREG-UHFFFAOYSA-N
-72F048E28D98083E_6948BC9A84C48231_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=NN(C3=CC=C(C(C)(C)C)C=C3)C(CC4)=O)=O,VOHTXSSZFWSHLO-UHFFFAOYSA-N
-755BE46EC5124FB7_E165725BFA3CECAF_6038_UN,N(C1=CC=C(C=C1)[N]2N=CC=N2)C(C3N(C)CSC3)=O,NLNIYFQOUAQYIO-UHFFFAOYSA-N
-7624AECA79DE5706_E946A56C14AD95D3_6029_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC(=CC=C3)OC4CC4)(=O)=O,RPUICDYPLHMCIV-UHFFFAOYSA-N
-770251C04F24CBC1_583B40CA6F358053_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,QZELDJCVAXSIAR-UHFFFAOYSA-N
-7B027696B9FBBD1F_533D468963AD3FF6_6041_UN,OC(=O)C1=NN(C(=O)CC1)C2=CC(=CC=C2)NC3=C(C(OC)=O)SC4=C3C(N(C(N4C)=O)C)=O,JASJSFITEJEBKV-UHFFFAOYSA-N
-7D70B4C7573D4E12_8814B3FA27039D37_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C([C@@H](C)O)C=C2)(=O)=O,UCFQMBAJIGRTLM-CYBMUJFWSA-N
-7DDB407FFE59CC3F_822E394666CED5B1_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(CN(C)C)=C)=O,AHLHMPVVAUFELO-UHFFFAOYSA-N
-7E28272672A17A51_C5300AA3685F6286_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=C([C@H](C)O)C=C3)F)(=O)=O,ASNCXSHLUGUTCO-HNNXBMFYSA-N
-7F3584698BD5E68E_E5F4D4CCFA27BEFF_6038_DP,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,LKPCSICHUDAUHC-UHFFFAOYSA-N
-7F5AD244BB31F089_B1EFBE2CA0FE9393_6003_UN,O(C1=CC=CC=C1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,IJWYYEUMPZXDDB-UHFFFAOYSA-N
-7F89008701211AB1_FEDC5DA4E4662DE8_6039_UN,O(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C(O)=O)C=C3,RUSPQZBDVUXQTH-UHFFFAOYSA-N
-7FE6F782765C92B3_DDF1CF26AD95D6AB_6027_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,OKNBEZYEVDHPNF-UHFFFAOYSA-N
-82BB728733CC075D_694C82E129DA2F87_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C([C@@H](OC)C)=O,PKCDPUOPALNBQI-FTNKSUMCSA-N
-82FD4FA683FDCC2D_CA4CC86D23558765_6039_UN,O(C1=CC=C(C=C1)NC(=O)C2=CSC=C2)CC3=CC=C(C(O)=O)C=C3,HAJQBFLZJZUULW-UHFFFAOYSA-N
-83BC6CD1A6CD2FD0_86E460117D8BADE0_6029_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,JWBVANWUXFMBGO-UHFFFAOYSA-N
-83FBE83FC80690C0_C5D013C21DD1E2D4_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=CC(=C3)OC(F)F)(=O)=O,KEZVWMWPTFLVRS-UHFFFAOYSA-N
-8789E6307F3EFAD6_197FB6DF98425CAA_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC#C[Si](C)(C)C,FNBIKSXYAUHHBV-UHFFFAOYSA-N
-88240AD0CC17B4BF_1C448E0B6A1A0EF7_6029_UN,N(C1CC(C1)C2CCC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,KODOVUXGYYCQSL-UHFFFAOYSA-N
-893E1CC9100C081B_F4252D7329F5B542_6038_UN,NC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(C3=CC(=C(C(C)=O)C=C3)C)=O,MZAPKOXMSZSKMJ-UHFFFAOYSA-N
-89A423856A7EC162_E7C7424812556920_7015_UN,N(C1=C(C=CC=C1)OC2=CC(=CC=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,VLZDZKOVVFYFMS-UHFFFAOYSA-N
-8D49DE602637896F_DA02329D385E0EC0_6029_UN,FC1CN(CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,FFNGFNLAFDRCFC-UHFFFAOYSA-N
-8DA3A5FB67C6A452_D4F6D717B7279423_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCOC)CC3)=O,DTTNCRODPCKBHD-UHFFFAOYSA-N
-8EEDF975AFBEAE24_B8350323DFF1EF00_6029_UN,CN1CN(CC1=O)[S](C2=C(C=CC(=C2)OCC)Cl)(=O)=O,AKLWASBWHKFZKT-UHFFFAOYSA-N
-8FD2B0807875E0DD_82BADBC8E8BF78AE_6029_UN,CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,KSKFACLOZPBTEG-UHFFFAOYSA-N
-90696B59457B3EC2_56D4E64670F12E87_6038_DP,N(C1=CC(=CC=C1)C=CC2=NC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,DTPRCUIYWQENDY-UHFFFAOYSA-N
-92244EC99BF064E8_0458F04A61508CE4_6029_UN,F[C@H]1CN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,VSQGIPPUIGQDRR-CYBMUJFWSA-N
-92A5EC7705BD0A58_0067EC491E7F5D58_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@@H]3[C@@H](COC)C3,FEERJTNVAYXTOV-PWSUYJOCSA-N
-92A5EC7705BD0A58_6EA161565334860C_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@@H]3[C@@H](COC)C3,FEERJTNVAYXTOV-PWSUYJOCSA-N
-93BF5D8EB5D6DDBF_B2FC73F94764CAA4_6029_UN,CC1=C(C)CN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,WAXHUOXKONEMFY-UHFFFAOYSA-N
-943BA236F7666BA7_E9A714A0CA807542_6039_UN,C[Si](C)(C)C#CC(OCC2=NC1=C(C=CC=C1)S2)CC3=CC=CC=C3,KLNFTMCXGPXTPT-UHFFFAOYSA-N
-9750CF6754D28D0D_EC5AE795279C670E_6009_UN,C(=CC1=CC=CC=C1)C(CN[S](C2=CC=C(OC)C=C2)(=O)=O)C,UZLMJLNQHHIKQY-UHFFFAOYSA-N
-975654FF35832154_07CA36EEEC995256_6035_UN,C[C@@]2(OC1=CC(=C(OC)C=C1)I)C[C@H]2C3=CC=CC=C3,QVXYCWCQIJVGRW-WMLDXEAASA-N
-9B3830CDC1BF71D2_3BB93F6A3F809A7B_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCOC)(C)C)=O,DFIUUUZTDUQLHR-UHFFFAOYSA-N
-9D31428E3F2DC607_23A27EB9E1E41907_6039_DP,N1CC(=CC1=O)OCC(N(CC2=CC(=C(OC)C=C2)OC)C)=O,KIEXODSGIDFSHE-UHFFFAOYSA-N
-9DA244F9B2B8A713_EE044155F4D106AF_6029_UN,Br[C@H]1CN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,LQRCPESLAXOKNM-CYBMUJFWSA-N
-9DCFD4AC04BACD78_826C209F32C60F9E_6036_UN,CNCC(CF)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,INIDRCKKXRMCEB-UHFFFAOYSA-N
-9EEA7D56E96509BA_C211804172323E66_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CN(C)C)=O,GTEORSGKOXIQCB-UHFFFAOYSA-N
-A08F279BEFD4A48F_32255E6AC7C0A6CD_6029_UN,CCC1(C(C1)N[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O)C,NWDAUEHRDCWUTO-UHFFFAOYSA-N
-A23201B6A276D32B_DAA441863A871248_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(OC)F)=O,APGFVCGLUBMOHR-UHFFFAOYSA-N
-A286A8CD74D15EE7_70BAB663311EBC70_6041_UN,ONC(=O)C1=CC=C(S1)NC(CC3=CC2=C(C=CC=C2)O3)C(=O)O,FJWRLLPYVBZOLP-UHFFFAOYSA-N
-A9EFAE0784E6DCDE_FBEDFAA30B05ADEA_6016_UN,COC1=CC(=CC=C1)C=CC2=NC3=C(C(=C2)C(=O)O)C=C(C=C3)C(=O)C4=CC=CC=C4,UABRNBVDRYBJJE-UHFFFAOYSA-N
-ABB4FA772EC427BF_02DF7C2BD3D9EFEB_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(C(CC)(C)C)=O)=O,LNRXDTSVTXCVTI-UHFFFAOYSA-N
-ACB2277DB1F1548B_AB891326F6EA16C1_6029_UN,BrC1=CCCN(C1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,GYNZXVZDKDMNCR-UHFFFAOYSA-N
-AD7617AFC10578BE_2959A7B310E814DF_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O,AUMOZJCVPWPOJP-UHFFFAOYSA-N
-AD8F20578840F1AE_0ADBB82162DC88F6_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(F)F)C=C2)F)(=O)=O)C3=CC=CS3,VSLJWSAEPVHOAN-UHFFFAOYSA-N
-AE0A376B532E6BD6_E26ED906FA175337_6038_UN,N(C2=C1C=CC=CC1=NC=C2C#N)C(C(SC)C3=CC=CC=C3)=O,YPFNHABPWQPTPB-UHFFFAOYSA-N
-AE4A9CEE8BE9F7BD_6EE55CBBA4200068_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,JNUVAZVOINJSDF-UHFFFAOYSA-N
-AFB030810E30E48F_9FB678C05D6A1361_6038_UN,N(C1=CC(=CC=C1)CCF)C(CCCC(N(C)C)=O)=O,HDSRXNIOZQHKQP-UHFFFAOYSA-N
-AFD1B077DCC44336_F5526C35E3229CAB_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C(C(CC)(F)F)C=C2)(=O)=O,IFBKOGXIITUSDF-UHFFFAOYSA-N
-B2149EA052F6FBCB_9C2E049145815028_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(CC(C)C)C=CC=C3,AZDIOOIRXFCTPW-UHFFFAOYSA-N
-B30BDB18C142E918_71D1C109F196DFD4_6041_UN,ONC(=O)C1=CC=C(S1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,RRDBGAJUOXKPKJ-UHFFFAOYSA-N
-B67549A064237847_8BCC50646F0CD659_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(CCN(C)C)=C)=O,FMZNZKXXLWJHJP-UHFFFAOYSA-N
-B6D6D8A4473AC3CA_47E25DC58888D8C2_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C(F)F)(=O)=O)C3=CC=CS3,HAQKETZKJNPJLX-UHFFFAOYSA-N
-B6DAF95F142DA71A_54EF12FE36BB751D_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=CSC=C3,OYHUHLUUTDMLHD-UHFFFAOYSA-N
-B82D9521F392A62F_9F365ABC1EDEF586_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(=C(C)C)C)=O,UOQYJUOZYLRFNO-UHFFFAOYSA-N
-B887F43C013D9DCF_92979D538596ABEE_6039_UN,C[Si](C)(C)C#CC(OCC2=NC1=C(C=CC(=C1)C)S2)CC3=CC=CC=C3,AESWQPFPWLOEAB-UHFFFAOYSA-N
-B8A3E2E361542FC0_F66B9F2057F849F2_6029_UN,N(CC1CC(C1)=O)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,LZJAWXADONKWIG-UHFFFAOYSA-N
-BBA4064532A4DF70_F65F1B29FD45AC1B_6029_UN,IC1=CC=C(C=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,DETIREVUUKRTFW-UHFFFAOYSA-N
-BCB71DDD7879A1DC_39401EC55F6CF051_6041_UN,CC3=NC1=C(C=C(C=C1C)NCC2=CC=C(C#C[Si](C)(C)C)C=C2)[NH]3,GTYMHNGCOFCAQW-UHFFFAOYSA-N
-BCD6F6B98B52B654_7288B5E861C3E1B4_6038_UN,CC2=C(OC(=O)C(=CC1=CC(=CC=C1)F)F)COC2=O,HYQNLAVIKUXBCH-UHFFFAOYSA-N
-BD4C7E375EC6848A_4D5664F304319900_6035_UN,C[C@@]2(OC1=CC(=C(OC)C=C1)Br)C[C@H]2C3=CC=CC=C3,DYBBHDNEDYLGQH-WMLDXEAASA-N
-BDBCC55D7AEEE971_DB6C83F930B2B3ED_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CCN(C)C)=O,HCDYTKFSURJGMS-UHFFFAOYSA-N
-BEC041B3C442315C_8868F66DBA0F5D54_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,ZERIIQPNTLBGMM-UHFFFAOYSA-N
-BEC041B3C442315C_9E265CEAB20A36D4_6028_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,ZERIIQPNTLBGMM-UHFFFAOYSA-N
-BEC742BB2C1DB2A7_2E47B221FD70EF10_6029_UN,N(C1=C(C=CC=C1)C2CCC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,GTHRSZIIAACVTP-ZDUSSCGKSA-N
-BF448D2132CB9D59_384AC5093B12F2B2_6006_UN,COC1=C(C=CC=C1)C2=NC(=NC=C2)C3=CC=C(C(C)O)C=C3,OBHZVDDHRYLWJF-UHFFFAOYSA-N
-C43AA541AEDCE5A0_FB8D3B103860CE38_6006_UN,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C3=C(C=CC=C3)O,KSXLSAUWZOJVNU-UHFFFAOYSA-N
-C4D2066082C29A13_8260F31459DA39FA_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)F)(=O)=O,RIFGUNBEUDTKDK-UHFFFAOYSA-N
-C544AB32071D4EFB_326B03E979A4815A_6038_UN,O(C2=C1C=CC=CC1=NC(=C2)C3=CC=CC=C3)C(=O)C4=CN(C(C=C4)=O)O,HVQMOGOIYXNLJZ-UHFFFAOYSA-N
-C5B4F8A8C6D1B49E_6676F2AFD2FF2321_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C(C(F)F)C=C2)(=O)=O,SEMKMGICHZXMDX-UHFFFAOYSA-N
-C699DF950941AF00_5DA98B36F265C334_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NC2CC(C)(C)OC3=C2C=CC(=C3)F,XNPOJINHQDJTTD-UHFFFAOYSA-N
-C744B7D41722118E_13618D2CBF1F411B_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O,LDEBZPTUSMLEMT-UHFFFAOYSA-N
-C7B0E7E3AFE806D7_D08C078B218F19A7_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CC=CS3,FCBBOXNYCZZYEL-UHFFFAOYSA-N
-C8E5D3434E0CDD60_16937CE67B5C9C0E_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(CC(F)F)C=C3)(=O)=O,GOHJKVFAIVTSTA-UHFFFAOYSA-N
-C8EBB230FF6C5ECD_EDE948B09C5EB260_6039_UN,O(C1=C(C=CC=C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C(O)=O)C=C3,OWSRHBTZNUCAPC-UHFFFAOYSA-N
-C943208580531927_F84DB7011AF0BEEE_6003_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C2=CC=CC=C2C(=O)C3=CC=CC=C3,BLZWYGYDHOLFNR-UHFFFAOYSA-N
-C973D295342A30CD_CBF90CF3EF27D058_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,URHFOQOETVPNEA-UHFFFAOYSA-N
-C983498937DE6299_CB8EB5D1632DE993_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NC3=C(N(C)C)C(C3=O)=O,PEKYWYRMHKUTCH-UHFFFAOYSA-N
-CBFF7EBAF52BB858_1E667B760620915C_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,IWKVAAOPYJMSSM-UHFFFAOYSA-N
-CC1B452B09B39F99_81397704354C15EF_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,NKDKGJUBDUGTCL-UHFFFAOYSA-N
-CFA089FC88C7D17A_5456E1E440639A76_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4CCN([S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)CC4)=O,HJRQZBIQZCIOAB-UHFFFAOYSA-N
-D1F720FF9DEB97B0_5134B65DDF1B390F_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=CC=CS3,NXQPNLAFTPMVBE-UHFFFAOYSA-N
-D2CD9ED5A1622E65_5AC3637BFC70C70C_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,KPRQMHGXNLVRTL-UHFFFAOYSA-N
-D66EEA239C6DC4D2_55739576C033C563_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O,VIZBXTAZHDIFKW-UHFFFAOYSA-N
-D7862DA42C7623C2_80F6D630B4BAA414_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)N[C@@H]3[C@@H](COC)C3,UXOCCXGSAURJDS-MFKMUULPSA-N
-DB3AA0158768A5B6_97B42A20E8563D9A_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,PXFKLWDXFHDHEZ-UHFFFAOYSA-N
-DB96333DDBE4C952_E2153D5705265787_6038_UN,C[C@H](NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)COC3=C(C=CC=C3F)F,PXRCPBNRKNVDMG-JTQLQIEISA-N
-DBAB6F9268215A2B_2C2B5DFAA1BCBE7B_6029_UN,CC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,GQIUKNJRTRUEOQ-HNNXBMFYSA-N
-DC2BBD548155D856_0F03D740F2C93BC6_6041_UN,C2(=C1SNC(C1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,OWTZXVKNPWRFQK-UHFFFAOYSA-N
-DCF6B760E6CCD1D7_CBBF557167835BCA_6029_UN,N(C1(CCC1)C#C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,LGDFKXRCNIYNAF-UHFFFAOYSA-N
-DE1C3883F6B6A4AF_80976E8E4B1AD44C_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(C)CN(C)C)=O,AJVCTTABSRIDBF-UHFFFAOYSA-N
-E13A8775D9C36B27_4F1C5F4FDF8E44CD_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C(CC(F)F)C=C2)(=O)=O,LFRZOSYTMSTKOA-UHFFFAOYSA-N
-E18B58E6B5F2663E_A96D7C6A439014DE_6028_UN,N(CC#N)[S](C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)(=O)=O,QBPYJJFREHCKGR-UHFFFAOYSA-N
-E1FA62EF092DE204_08A0E3AADF7FA2F7_6005_DP,COC(=O)C1=CC(=C(C=C1)C2=CC=C(O)C=C2)C3=CC=CC=C3,VSPFNQOLHYYXJI-UHFFFAOYSA-N
-E2066CA4430B3849_3811468794EC3688_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,KVYPIPZZVHNPOB-UHFFFAOYSA-N
-E31654587BE4C291_305DD15D4311DF50_6038_UN,CC1=CC4=C(C(=C1)NC(C3C[C@H]2CC(OC)[C@H]2C3)=O)C=CC=C4,JQKBXYNBICZGJN-CKXIEVRYSA-N
-E32E23723E36831C_32506B2F38AF4BA3_6029_UN,N(CC1CC(C1)=O)[S](C2=C(C=CC(=C2)C(C)(C)C)O)(=O)=O,NUMFYXFKBFPYNZ-UHFFFAOYSA-N
-E48C7BDD21758DF9_7A39D4FF1FB3CB1F_6029_UN,C=C1CN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,PAGNCOCVYCFSRQ-UHFFFAOYSA-N
-E7A7A15741937188_1494C385B91237B0_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,GOOATXUXPUDNDQ-UHFFFAOYSA-N
-E92A35DE6065EFF6_D100B6C1AE195B81_6029_UN,CC1=C(C)CN(CC1)[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O,LUKNHJDXHRIVPP-UHFFFAOYSA-N
-EAB8C3C430A3911E_41DEF69F2AAC3775_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC(C(OC)=O)CCF,COWYSNLPAQQUNJ-UHFFFAOYSA-N
-EB22800F92910BBB_4DEC0D5733EBC98B_6038_DP,O(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,GAXYZJVGMWTYHH-UHFFFAOYSA-N
-EE07999824DACAE6_689DD98FD6666DBC_6029_UN,C1CN(CCN1[S](C2=CC=C(C(F)F)C=C2)(=O)=O)C4=C3SC=CC3=NC=N4,PIHVNGVYFXLTDG-UHFFFAOYSA-N
-F0DD81D63CCC43A8_91B169FFC7C7750B_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCC(N(C)C)=O,SAOLPPGOEOJSKM-UHFFFAOYSA-N
-F1D25C1C1EB9DAE1_CBAFCD3E6EA3D558_6029_UN,CC1=C(C)CN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,BZXYZBVJTPQBHE-UHFFFAOYSA-N
-F3A93129227D3D98_E024C4554BA84E8C_6006_UN,C2(=NC1=C(C=CC=C1)[N]2C3CC3)C4=CC=C(C(C)C)C=C4,YZCDBDHHQUXPEY-UHFFFAOYSA-N
-F40F2A3D91625B3A_82695370EFA0A6B9_6027_UN,N(C1=CC(=C(C=C1)OC2=CC=CC=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,IENBKILNXDYOFK-UHFFFAOYSA-N
-F40F2A3D91625B3A_82695370EFA0A6B9_7015_UN,N(C1=CC(=C(C=C1)OC2=CC=CC=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,IENBKILNXDYOFK-UHFFFAOYSA-N
-F66925AB1EF192A4_15430F40F41C75AB_6029_UN,C[C@@H]1CC[C@H](CC1)N[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O,UVJZMGOVKISAGM-WKILWMFISA-N
-F6CF42F91F29237F_1FE620C33923E05D_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=CC=C(C(OCC)=O)[NH]2)(=O)=O,YSOHRINMNKUVJR-UHFFFAOYSA-N
-F8651BDE0E84F029_6FD49F285DC3B977_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O,NWDRMLFAFLPBTJ-UHFFFAOYSA-N
-F9FE9C40C3A6391E_84E8A8CE9A2BB0A4_6003_UN,O(C1=CC=CC=CC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,JJSVJIRTRHFCSY-UHFFFAOYSA-N
-FA9AD499C0FCADDF_C9E17BCB61A06221_6029_UN,ClC1=CCCN(C1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,XXLBIGYSLSVVEI-UHFFFAOYSA-N
-FD1670F4ED2FDA12_F7DFDEE5112CB8E3_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,HWMZPRHFECWBEB-HNNXBMFYSA-N
-FFD75A3E06A1FBD8_BF9CB4B3FBABC659_6029_UN,ClC1CN(C1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,BKSOBJBESATHML-UHFFFAOYSA-N
-rxn:2:102020:149518,CC(NCC(C)(C)N1CCN(c2ccccc2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,NJJLSTAYARENSE-UHFFFAOYSA-N
-rxn:2:85575:72283,CC(C)(C)c1ccc(N2CCC(NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)cc1,MTCRYIQDSZTEFT-UHFFFAOYSA-N
-0089E6B4D71F08DE_B58CEB0785182F79_6029_UN,C1CN(CCN1[S](C3=C(Cl)C=C2CCOC2=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,IRUIBGJWJHHOCM-UHFFFAOYSA-N
-00F9A872AD77CF0B_FC4E2CFE595CC14F_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)C)C=C2)F)(=O)=O)C3=NC=CC=N3,YXQCOWDTXISRNE-UHFFFAOYSA-N
-0210BF6CAF0AC90E_BE7585861A8D4845_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)OC(C)(C)C3)N(C)C,QXDCOIORDZLWMI-UHFFFAOYSA-N
-05AF346C798003B9_84A5931183B4EF86_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,UPNMTSOYFKOSJM-UHFFFAOYSA-N
-0952416F07BF6CB5_C5C0B89C94330BCE_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CN=CC=C4,WHYZUQIBFHKXTE-UHFFFAOYSA-N
-0A909311B893EF59_82B42B97E66060B0_6028_UN,C1C=C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4CC4)(=O)=O)C5=CN=CC=C5,ZUHFKDOSJKTYFU-UHFFFAOYSA-N
-0CE7C23444C792AB_2EDD62C795619E8D_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=CC(=C3)CN4CCCC4,DVXGPWSNOPKLMA-UHFFFAOYSA-N
-10279601881A5F1E_70B5863ED0009290_6038_UN,C[N]3C=C(NC(=O)C1=N[N](C=C1)CC2=CC=CC=C2)C(=N3)C(=O)N4CCC4,RRHBYXGRAVYZAC-UHFFFAOYSA-N
-115CC88ED6AC1309_6D17E27C658FBCFF_6029_UN,C1CC(CCN1[S](C2=CC=CS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,GHORDYKJUFYKIE-UHFFFAOYSA-N
-1262A4241F924D9E_FF2BDE69A4FA7852_6038_UN,CN(C)C2=NN=C(CNC(C(OC1=C(C(C)C)C=CC(=C1)C)C)=O)[NH]2,KZPFEFHEXAOPMB-UHFFFAOYSA-N
-15884B6BE0DC3AF9_17765B346BFC6C8F_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,HMPUBSPWUPQLDF-UHFFFAOYSA-N
-15C812F5DD44646E_99F3554FDD6B36F5_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=CC=C(C=C3)OC4CCCC4)[S](=O)(=O)Cl,SZHULZHSVABJEU-UHFFFAOYSA-N
-1661788490977ED4_206D248244823838_6038_UN,C[N]1N=CC(=C1)N2C(CC(C2)NC(C4=CN=C(N(C)C3=CC=CC=C3)C=C4)=O)=O,KPAMUFBVWYYPCR-UHFFFAOYSA-N
-17F210A68DE13B65_21A101620C64067B_6003_UN,CC2(CCOC1=CC=C(CC(OCC)=O)C=C1[N](=O)=O)N=N2,XEHAOQMTEYIHHB-UHFFFAOYSA-N
-19D927185CB47E41_79D6F8CAF3984A60_6029_UN,C1CC(CCN1[S](C2=C(F)C=CC(=C2)C#N)(=O)=O)OC3=NC=CC=C3,SLZZYYRCTTXHSW-UHFFFAOYSA-N
-1B5689FFF8EA0B7F_27EC75DCC4511C9E_6029_UN,CN1CCN(CC1)C2=C(C=C(C=C2)F)N[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,DTPWTOGOXYVODS-UHFFFAOYSA-N
-1B913A2F9FAA0223_CF6A631D0A74094A_6038_UN,CC(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CCCC3=CN=CC=C3,COADZPONPJZTAG-UHFFFAOYSA-N
-1BA94FBBA81B3C3B_7665B4640BE2B0FB_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N3CCN(C2=CC(=NC=C2)C#N)CC3)Br,GPVSUPWHFCKCKP-UHFFFAOYSA-N
-1BAECFAA2011FB4B_06673C52EDE39BB5_6029_UN,C1CC(CCN1[S](C2=CC=C(S2)C3CC3)(=O)=O)C4=CC=NC=C4,SCFDPSCBTZXKBG-UHFFFAOYSA-N
-1D719330CF8C50B6_3B49D3F6CEBAEAAF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3)C4CC4,YHAAJMBLTICBQO-UHFFFAOYSA-N
-1DC7FA9A11B8DB4B_6A7DB176C634AE36_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC3=C(C=C2)OCC3,IFFMUEXIJIKFPM-NSHDSACASA-N
-204E31F48AB3AA02_CF451A811EADC5E2_6029_UN,N(CC1=C(C(=CC=C1)Cl)O)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,BVFRDKWFMDQSOF-UHFFFAOYSA-N
-2180F24825F98432_1321775BCCE01A07_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4,LWPRJWKWGCGBKZ-UHFFFAOYSA-N
-23122470D9DC4E8B_0B1C3B0D532D6588_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(OC)C=C(C=C2)C,OSXAQUSMPZPFPF-UHFFFAOYSA-N
-2335121BB781A69B_17BF1A3CE104E652_6029_UN,C1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,OHOORZUXYLKNGZ-UHFFFAOYSA-N
-234C1330E2341EA7_A0578CF4DD7E0503_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=CN=CC=C4,CNNPCGLFZJOEJD-UHFFFAOYSA-N
-2423448C9E4519AB_C4589254D508A473_6029_UN,ClC4=CC=C(CN1CCN(CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)S4,KELZQEXMVGLWFE-INIZCTEOSA-N
-24BCCB470A459D47_2325524A11877EC8_6029_UN,OCC1OC4=C(N(C1)[S](C3=CC=C(C(N2CCN(C)CC2)C#N)C=C3)(=O)=O)C=CC=C4,JOJNQYPEACLFJF-UHFFFAOYSA-N
-259B904AF696F115_BC25A87D2FD34455_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C(C3N=CN(C)C3)=O,FDMFLMWXHVBCCJ-UHFFFAOYSA-N
-25D44DF24A4184F6_D21095528106A015_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=C(CC)C=CC=C3)CC4,ZVOHPGKDXZQHFW-UHFFFAOYSA-N
-261758567E11B7AF_0D5926AFA3BA5002_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(C)N=CN=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,KZWDIIWSNZQWHF-UHFFFAOYSA-N
-26A89D8916F8741E_268B7255B37D8C44_6003_UN,O(C=C1C(CCC1)=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,FGVWAMITRUHMIL-UHFFFAOYSA-N
-279CA710FEC967F1_91C1AA9DA98C43CC_6038_UN,C[C@H](NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)CC3=NN=N[NH]3,GGDCLZYUDVAMAC-NSHDSACASA-N
-286FF3DDDAF57774_EA7CAC0542ACDC3B_6041_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NC3=C(C)C=C(C=C3)N4CCCCCC4,WXUACAHDWFXCPQ-UHFFFAOYSA-N
-2B513A42E4DBF65E_08C26A347F0BB684_6038_UN,CC(OC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)C3=NN=N[N]3C,MDJHIPDVINADMW-UHFFFAOYSA-N
-2B9741755755F634_9456B47784F603BB_6028_UN,C1CC(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=CSC=C3,QDQKCQNZTNKWIH-UHFFFAOYSA-N
-2BFDCFF16104C125_0D3957F2C2BB76CB_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC3C4=C(OCC3F)C=CC=C4,FRCRZEYCMKCWND-UHFFFAOYSA-N
-2C1067574D9425EA_7C6A4B87AE3F514B_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(CC3=CN=C(C(OC)=O)C=C3)=O,SJOYEWSBXGPAEQ-UHFFFAOYSA-N
-2F9F425E74557330_4E122659FC18B0C0_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=C(C[S](C)(=O)=O)C=CC=C3,FBWBCXRRDLXXDW-UHFFFAOYSA-N
-307AFF9E6483A541_6CD19B3347410BFF_6038_UN,CN(C)C2=NN=C(CNC(C(C(C)C)C1=C(C=CC(=C1)C)C)=O)[NH]2,PFVUOCCLQWTIOB-UHFFFAOYSA-N
-310553436E17DE35_C444B7EC8FD306AD_6038_UN,CCCOC1=CC(=CC=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NEBNEZAUNYACKO-UHFFFAOYSA-N
-34F820A51B61B8CF_6D251B4FD199FF0E_6038_UN,CC(NC(C1=C(C=C(N(C)C)C=C1)C)=O)C2=NN=N[N]2C3CC3,NTBWKMDBVQINKW-UHFFFAOYSA-N
-363BA6750585E33B_FCA42091510606DB_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C2=C[N](N=C2)CC3CCC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,WVUMHTWUVBFRTM-UHFFFAOYSA-N
-3664A19325FAF12D_4409EF079E99BE2D_6029_UN,C1CC(CCN1[S](C2=CC=N[N]2C3=NC=CC=C3)(=O)=O)C4=NC=CS4,BQQBXRAKPARTLV-UHFFFAOYSA-N
-3673EDEE18AB4155_0770D6E6455DFEB9_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCC(C)(C)CCC#N)[NH]N=C2,AOVWVCKCSRIFGN-UHFFFAOYSA-N
-392D79B8C6446DF9_5731C0E3F3153410_6039_UN,O(C2CCN(CC1=CSC=C1)CC2)CC3=CC=C(O[S](F)(=O)=O)C=C3,KOVHVRFLQZQWMJ-UHFFFAOYSA-N
-3942CBA8BBF52D7A_788D5E08ED05FA54_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@H]3C[C@@H](CN(C)C)C3,LNLSQRWBJZWJNM-PHIMTYICSA-N
-3D025B6A1821D3BC_AD4497930A8FCC7D_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,HOEOKQTXRKKICL-UHFFFAOYSA-N
-3DF2C44403E8F2D0_507AAEFDFC08E919_6029_UN,C1CN(CCN1[S](C3=C[N]2N=C(O)C=C2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,HPDBWGYMBLZMIH-UHFFFAOYSA-N
-3E63CC865834F056_C51B808CA1D5C8D7_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=NN=CC=C3,RIXOUDGRKMDTJA-UHFFFAOYSA-N
-441697DAAD15DE02_7DE9E61AF56D0DB7_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=C[N]3C,STBFBNULJCJHEZ-UHFFFAOYSA-N
-45404B7E30190121_E78F973F043F2266_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)[N]3C=C(C)C=N3)(=O)=O)C4=CSC=C4,OHRDJFFJKPGCHL-UHFFFAOYSA-N
-464B2AA34E836D3D_29502FE70126F2B6_6041_UN,CN(C1CC1)C3=C2C=CC=CC2=NC(=N3)NC4=CN=C([Si](C)(C)C)C=C4,PHLYQQRERCAGON-UHFFFAOYSA-N
-4695E0059CC3C893_67D2B12B55FDF9A7_6028_UN,C1CC(CCN1[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O)C5=CSC=C5,KMUWYQIMFXPISP-UHFFFAOYSA-N
-469D675D4CFDC0C6_8B005946A580AD16_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC=CC(=C2)[S](C)=O)[N]3C4CCCC4,YNUUSNZYTUKDBT-UHFFFAOYSA-N
-46FD6F738E0C0719_D6FE97E0F58465A0_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O)CC#C,RFHFBTBQXMVWEF-UHFFFAOYSA-N
-479CC4A917D8C670_25588F68334F8F68_6035_UN,O(C(C1CNCCC1)C2=CC=C(C=C2)Br)C3=C(C[S](C)(=O)=O)C=CC=C3,GMIQGSRLVPFLPP-UHFFFAOYSA-N
-4973855DC9098152_8FE15D03F10E4CA1_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC4C3=CC=CC(=C3OCC4)C,GYAFWNNUOPVMHH-UHFFFAOYSA-N
-49908B29808ACF06_6B539E9ED7FDCA2C_6041_UN,O=[N](=O)C1=C(N=CC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,LAQMSSWGWSHJQC-CQSZACIVSA-N
-4A21DD848660696C_0AAABA62B00F1DEB_6029_UN,C1CC(CCN1[S](C2=C[N](N=C2)C3=CC=NC=C3)(=O)=O)C4=CSC=N4,SYTCYHJPIVLKJK-UHFFFAOYSA-N
-4BC0966B4695CA0B_F7F90273AF37C89C_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NCC3=CC=C(C=C3)N4CC[S](CC4)(=O)=O)C,SNWPDYYROXIGIJ-UHFFFAOYSA-N
-4C871B75D37FEA0E_6503DB187DA83B33_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=NN=CC=N4,VLWROBKTRACAII-UHFFFAOYSA-N
-4E6411E43F280BC6_58ABAA93EC973BB3_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C(=NC4=C3C=CC=C4)C,NJIDRJIVAPGGCP-UHFFFAOYSA-N
-4EC0B3F3C86E1927_C38F74FBD73F0152_6006_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)C3=CC(=CC=C3)C4(O)CCC4,RHVCACFSHFPYDG-UHFFFAOYSA-N
-4FA90B6B99C516B3_2CB578714951DEB4_6029_UN,C1CC(CCN1[S](C2=CC=CC(=N2)C)(=O)=O)C3=CSC=C3,JTBPBEQYHIXXJG-UHFFFAOYSA-N
-513A090B85F872ED_1266C68A8209841C_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)[S](O)=O)(=O)=O,SAZBPCMAISQCKE-UHFFFAOYSA-N
-51E423C555A126C2_0854EA8A9D431C35_6041_UN,C1(=NC=NC(=C1)C2CC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,PCFVKCKQRNALGO-ZDUSSCGKSA-N
-523D34722F972F2A_165FBC6CBAF5BBE5_6035_UN,O(C1CN(C1)C2=CC(=CC=C2)Br)C3=C(C[S](C)(=O)=O)C=CC=C3,XKKBVYJHSDQCGR-UHFFFAOYSA-N
-52C14AE4D1589083_860DC1B394CF2152_6035_UN,O(C(C1CC1)C2=CC=C(C=C2)Br)C3=C(C[S](C)(=O)=O)C=CC=C3,YIQVYKWMSSALEC-UHFFFAOYSA-N
-53AF9BFBDCDA22AF_F4333DBD48D443A4_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=C(C=C3)C#N)CC4,QWJDFWMQCYTYLR-UHFFFAOYSA-N
-54131895273EDF28_C21A4DDBE9B6744D_6038_UN,CN(C)C1=NC=C(C=C1)CNC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3,DJKRNJLXIRXSIB-UHFFFAOYSA-N
-546DF57A777E452B_3C4C09C6DE0554B6_6043_UN,C1(=CN=C(C=C1)C2CCC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,PKJLOFHVVHPQMA-UHFFFAOYSA-N
-54C928ACEB9DB8A5_5481A1DDCD11868B_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,RAQGUZGKMFRSPU-UHFFFAOYSA-N
-5ABA3EC9A1B1EB9C_2F2A42FE6D5A77DC_6038_UN,CC(C)C(NC(CCC1=CN=C(N(C)C)C=C1)=O)C2=NN=C(C)[NH]2,HPNUHMQOJBPIEG-UHFFFAOYSA-N
-5E41421292559C13_9464A2CF1CCB7FE3_6029_UN,C1CN(CCN1[S](C2=C(C=CS2)C3CC3)(=O)=O)C4=NN=CC=C4,BJQWKFYGEXAHFP-UHFFFAOYSA-N
-5E42F49519DB5FDB_B66EF9DE1601F61A_6041_UN,C1(=NC(=NC(=N1)N2CCCC2)N3CCCC3)NC4C5=C([S](CC4)(=O)=O)C=CC=C5,WMNDZRRKPATYTC-UHFFFAOYSA-N
-5ED448101A37EEDF_1EC95025730717CD_6041_UN,CC(C1=CC=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3)[S](=O)(=O)C,OKEMWLZGDSUHFD-UHFFFAOYSA-N
-5F447087D3A2ECF2_EF1635B90D5A3904_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC(C)(C#N)C3CC3,WYBYNXOWWCNEPV-UHFFFAOYSA-N
-5F4F49669C72AACA_8144E53FCCD097DD_6006_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)C3=CC=C(C=C3)C4(O)CCC4,JLLULOMJJAZUKO-UHFFFAOYSA-N
-5FD7EE31C55F3DE8_962E84A67A30FAFB_6038_UN,CCOC(=O)[C@@H](NC(CCC(N(C)C)=O)=O)CC1=C[NH]C=N1,XMZQWPKTRKYFBC-NSHDSACASA-N
-608C15B8DCFFD60A_D10F11BAB9B03F73_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=COC=C2,FRMKLXAYKZDMGF-VIFPVBQESA-N
-62B598D01C356047_C821288525A0474E_6029_UN,OC1(CCN(CCC1)[S](C2=NC=C(C#CC)C=C2)(=O)=O)C3=CC=CC=C3,FWRRJOIIFYLOHK-UHFFFAOYSA-N
-64358A3D7D473349_71B5784FF024F4D2_7022_UN,C1(=CC(=CC=C1)C2CCC2)NC3=C(OC)C=CC(=C3)C[S](=O)(=O)C,GWPPPCDCJPNEBP-UHFFFAOYSA-N
-64DFD6C416C9D570_1EB3F4049FC99B14_6041_UN,O=[N](=O)C1=C(N=CC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,LAQMSSWGWSHJQC-AWEZNQCLSA-N
-672E2F6DDFF71BDD_F52DE7848A61DE90_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,OZXDOGRWTCFWSM-UHFFFAOYSA-N
-67340CEB4BD47358_AB4AC7A317BBF7A4_6029_UN,CC1=CC=C(C=C1)C(N[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4CC4,ZROSKRMCXJZJIS-UHFFFAOYSA-N
-67D66AE11BF44747_41EA3FE623DE100D_6029_UN,CC1CN(CCN1[S](C2=C(Cl)N=CC=N2)(=O)=O)C3=CC(=C(C=C3)C)C,KNWPAMCOWQLPJS-UHFFFAOYSA-N
-6B5F6FA35D396418_7FD0ACD06F8854E1_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=CN=CC=C3,YQJVURCGRMKDNQ-UHFFFAOYSA-N
-6BCCDE42B7936B43_87A73ED449D49070_6006_UN,O=[N](=O)C2=C1N=CC=CC1=C(C=C2)C3=CC=C(C=C3)C4(O)CCC4,XYQZIIARKQPTKC-UHFFFAOYSA-N
-6C14F1BAD843DC20_E1EB4FAE0CEFFD55_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2=C(C=CC=C2)C[N]3N=NC=C3)N4CCCC4=O,DLMBDTISHLNQLO-UHFFFAOYSA-N
-6CA2BCF9907B36DA_C6D2AD81CC210467_6038_UN,C[C@@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CC3=C(C=C2)OCO3,GWCZFORDOUWJSD-LLVKDONJSA-N
-6EA00A359AA037F3_BD22DBB7D65791EF_6038_UN,CC4(C)CC(NC(C2=CC1=C(N(C)C)N=CN=C1[N]2C)=O)C3=C(C=CC=C3)O4,IWQMWPJHIWLGTG-UHFFFAOYSA-N
-6EE491A4D1B56C70_EC0BB7A1323700A5_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)C3=NC=CC=N3,GGSOMKFHSCSIFJ-UHFFFAOYSA-N
-6F55D1CDB8F0F8E6_1440C5721487CEF0_6026_UN,FC1=C(C=C(C=N1)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C#N)CC3)Cl,CYFRKUXNPHJPSL-UHFFFAOYSA-N
-7289625212BB2C06_C937F8C4E0ABB9D4_6029_UN,N(CC1=C(C=C(C=C1)I)Cl)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,CLBHLJCHVZKDJS-UHFFFAOYSA-N
-741C6D49D587094D_1DE4E54EAA27251D_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OCC3F)C=CC=C4,BBOCXPWHFLZHLQ-UHFFFAOYSA-N
-76E233EF961B1A6F_DB7452C3D52C2C9A_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,UVDZEMFVIAXTDZ-UHFFFAOYSA-N
-77C9DD1B0991B695_478DA6B78C9CAEC2_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O,KOCYOOBEVLQITB-UHFFFAOYSA-N
-783DB2AC8D688737_27003FEDFEC27FC2_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,JHNJNSVZTVSZAG-HNNXBMFYSA-N
-79520194AAB10991_9BE96A91F9530503_6041_UN,CC(N1CCCC1)C2=CC=C(C=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,VAKYPTVUQOTTDJ-UHFFFAOYSA-N
-799685CD97071E7F_51AD710637051BE2_6029_UN,C1CC(CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)OC3=NC=CC=C3,LVXGPWOQROTWAH-UHFFFAOYSA-N
-7C80F2B65E5C117C_8BF24DDBEB10C51D_6028_UN,C1C=C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4CC4)(=O)=O)C5=NC=CC=C5,JKJCTDRZLHBCFH-UHFFFAOYSA-N
-7C96857FAA57D06E_DC8A7AC1A88E6332_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC4C3=CC=CC(=C3OCC4)CC,DWXNNGBWVNKXGC-UHFFFAOYSA-N
-7D4B278A32FC6BA2_27C0E2FB859657A6_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(C=C(F)C=C2Cl)Cl)(=O)=O,FHVYTDIIIOKZLD-UHFFFAOYSA-N
-7EBE017F7E4B6D43_946573BB82BF993B_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,YTBALFUQSDEPEB-UHFFFAOYSA-N
-818A832D89215D79_C7DFEA0991420EA1_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C4=CSC=C4,YFEVKMUZBLDZJP-UHFFFAOYSA-N
-82BCDD480E37F9B3_DD9F1217FE0E6E98_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)N4CCN(C)CC4,XYSVSHFDXRYMOX-UHFFFAOYSA-N
-833C143BA7698093_10CA05CC0FAE93B3_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,XCVVCKCFQVHRPR-UHFFFAOYSA-N
-835E60ECB2758378_61B975EA648E7E03_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C#N)CC3)Br,CDRVWGNAOFJMLQ-UHFFFAOYSA-N
-849158C538DFE0F5_ED83B055D3423CB5_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CC[S](CC4)(=O)=O,ZFDXKKGOZAJYQG-UHFFFAOYSA-N
-85C36A1E62F9EE0C_DF87F3C93F4406D1_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(I)C=CC=C3)CC4,GYIAZZSXORZCCJ-UHFFFAOYSA-N
-8668E616D5CA5029_D65C25CE31B6F11C_6029_UN,CC1CN(CCN1[S](C3=CC2=C(O)C=CC=C2S3)(=O)=O)C4=NC(=CC=C4)C,FZLPUWCMFHHHDB-UHFFFAOYSA-N
-868C29997B40439F_0FD3B702AAA2B619_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(SC)C=CC=C3)(=O)=O,NQSPNVPUNPUDOH-UHFFFAOYSA-N
-87185546527ECDD6_94157F7C888F3BE5_6041_UN,CN(C)C1=NC(=NC(=N1)NC(C)C2=CC3=C(C=C2)OCO3)N(C)C,VIXFPGOEKNSKAB-UHFFFAOYSA-N
-876483E3D092D795_7065611CCBF74E39_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,VETGOBMVFKXQRF-UHFFFAOYSA-N
-878A7855B5FE63B1_2BD45ECEAD21BA96_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=NC(=CC=C2)OC3CC3)(=O)=O,IVGGMVFOPLYNQT-UHFFFAOYSA-N
-891DDD6AE8FFEAFB_58730A08CAF8D3A1_6026_UN,FC(F)C1=CC=C(O1)[S](=O)(=O)NCC3=C(N2CCN(C)CC2)N=CC=C3,ISITYDRTTFXEKG-UHFFFAOYSA-N
-8C25AEEBD5AF2749_F87FD63933846127_6029_UN,N(C1C(C1)CC2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,LYYOAIMIKUYAPL-UHFFFAOYSA-N
-8C6C740FB99F3AAF_D9F258844A710DCE_6029_UN,C1CN(CCN1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=NSC5=C4C=CC=C5,BZRXIVAHCMLOPL-UHFFFAOYSA-N
-8D736EA8E3921276_927196107E8BBEFD_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC3C4=C(OCC3)C=CC(=C4)C5=CC=CC=C5,BFFYUBMWVXITMW-UHFFFAOYSA-N
-8FAD8B2B4242BB69_B6E2F34B44CF556D_6029_UN,ON(CC1=NC=CC=C1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O,ADRMFVPPKFADDL-UHFFFAOYSA-N
-932FBC616530DE16_5D0FF5F5C3935454_6029_UN,C1CN(CCN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,MRIRMYAPGPFUAS-UHFFFAOYSA-N
-9376B90FDCF8C27D_83B1B9E04F7278B9_6029_DP,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CN=C(O)C=C3)(=O)=O,LRIAIHSUNXXHOV-UHFFFAOYSA-N
-9417A6B6CE289EFF_3D7EDD0AA5000ABF_6038_UN,CN(C)C2=NN=C(CNC(C(OC1=CC=CC(=C1)C(C)C)C)=O)[NH]2,DOXNZTCTXGERGZ-UHFFFAOYSA-N
-95062AFE4A72ACB2_DC9F92E196657E07_6029_UN,CC(N1CCN(CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CSC=C4,HNWWWYGLGHWIAQ-IBYPIGCZSA-N
-96280F7E70D56FE5_32EB7E8B786772E2_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=NC=CC=N3,IJSKTDNUHXBVPI-UHFFFAOYSA-N
-9912579056396087_68B2FB8A7BE7F443_6026_UN,FC(F)C1=CC=C(O1)[S](=O)(=O)NCC3=CN=C(N2CCN(C)CC2)C=C3,VIGDJYCEETZPRE-UHFFFAOYSA-N
-9A919D3E8626E982_5A4CFF538E68398B_6029_UN,CN1CCN(CC1)C2=C(C=C(C=C2)F)N[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,JNTHPTQWFDZKQC-UHFFFAOYSA-N
-9B2182C566AA3D35_65E2AC02108F835E_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=C(O)C=CC=N3)(=O)=O)C4=C(C=CC=N4)CC5,QEUDUCKXGBKAED-UHFFFAOYSA-N
-9B4751BC7C183CF5_08CF6CD6A7F0C955_6041_UN,OC(=O)C2=C1N=CC=CC1=C(C=C2)NCCC(N3CCN(C(C)=O)CC3)=O,HBZQQCWWXDAWLL-UHFFFAOYSA-N
-9BFA8B48D3C02971_CB7CE989B9971531_6038_UN,CCC(NC(=O)C1=NNC(=O)CC1)C2=CC(=C(C=C2)OC)OC,ONZWWYQRBKVZCQ-UHFFFAOYSA-N
-9C6A9DA6FB0A1B13_A29AF5FACEAEBBB8_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=C(C[S](C)(=O)=O)C=CC=C2)[N]3C4CCCC4,WPZHTXSSFVEGBE-UHFFFAOYSA-N
-9CC46772B26A06F1_1D4E5A0ACBEE328F_6038_UN,CN(C)C2=NN=C(CNC(C(OC1=CC(=C(C(C)C)C=C1)C)C)=O)[NH]2,ICVSLVYUQBVWPQ-UHFFFAOYSA-N
-9F4ABEB6E92B41BB_A40D3E2B242F598A_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(C=C(F)C=C2)C3CC3,JJMIEQCMKHFTQJ-UHFFFAOYSA-N
-9F8B405A71A0963E_6F89450972B28B98_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CC=NC=C3,HXHOFBUWZNQBJS-UHFFFAOYSA-N
-A14C9BDD2E8CF016_0CF52E2F752FE31C_6028_UN,C1CC(CCN1[S](C2=NC=CS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,SGPNPEDSHRZDRJ-UHFFFAOYSA-N
-A15A5483BAC0CA6C_2C861100CEA61BAB_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(C=C(F)C=C3F)Cl)(=O)=O,IAZXPAKRXJBGKZ-UHFFFAOYSA-N
-A1C26AAB24A973AB_CD1DF2C526427DE1_6041_UN,C2(=C1N=CC=CC1=CC=C2)NC3CCC(C[S](C)(=O)=O)CC3,VHVLTXWMKPZISB-UHFFFAOYSA-N
-A31E18151F4602B5_A846C719F6B921B6_6038_UN,CN(C)C1=NC=C(C=C1)CCNC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3,XUSWIUJZXOSOBX-UHFFFAOYSA-N
-A508568C1DB6C117_A92896E7271CB769_6038_UN,CC(C)C(NC(C1=C(C=C(N(C)C)C=C1)C)=O)C2=N[NH]N=N2,PMLRJAZIVGLRCX-UHFFFAOYSA-N
-A542B08DF709333F_EFADDA5B357B1865_6031_UN,CCOC(=O)CON=C(C(=O)OCC1=C[N](C)N=C1[N](=O)=O)C2=N[NH]C=C2,SGTDLXPRWSXNEJ-UHFFFAOYSA-N
-A8CBF1152EC2305C_6D59B691D4C50066_6038_UN,CC1=CC2=C(C=C1)N=CC(=C2OC(C3=CC=CC(=N3)N4CCN(C)C(C4)=O)=O)C,VKABABIPUJUDTK-UHFFFAOYSA-N
-A8F564AC4641B69F_05C393D9B604DAEF_6041_UN,O=[N](=O)C1=CN=C(N=C1)NC2=CC=CC3=C2OCCC3N(C)C,SQDINKDZTLTRJU-UHFFFAOYSA-N
-A93A84F4B3605B22_DC2B6F13E136092F_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,MJPVOTOTEIKFGW-UHFFFAOYSA-N
-AC3ACBCD6497DCDA_93E5B4851A03DDD8_6029_UN,N(C[C@H]1[C@@H](C1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=N3)(=O)=O,QQWCLDLEXAOATC-CVEARBPZSA-N
-AC9C6C5842663F86_2A5767A89522A92E_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,FHSGVWPZMGWPGX-UHFFFAOYSA-N
-ACAE4D8471C850CB_0C87AE34A63C0B44_6029_UN,N(CCC1=NC=NC=C1)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,GSRNIQALCJVVNO-UHFFFAOYSA-N
-AE6D5C01FEF1FE39_65A72113B1651904_6038_UN,CCCOC1=C2C(=CC=C1)C(CO2)NC(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,NEEDOCHOCVGGCP-UHFFFAOYSA-N
-AF53590A7A8E8B58_D18ECB456E33D4EC_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[N]3C,CLEHMZLCKRANIK-UHFFFAOYSA-N
-B0FC4A34ADCE0800_1CCCB7970CAD944A_6038_UN,CC(C)C(NC(CCC1=CC=C(OCCN(C)C)C=C1)=O)C2=N[NH]N=N2,IYWKLHCLEZAEDU-UHFFFAOYSA-N
-B544F3C90194A429_0533ABF51BF98E96_6039_UN,N[S](=O)(=O)C1=C(C=CC(=C1)F)OCC2ON=C(C(OC)=O)C2,RSAAHMMQEBADCK-UHFFFAOYSA-N
-B544F3C90194A429_172F9BE86A683301_6039_UN,N[S](=O)(=O)C1=C(C=CC(=C1)F)OCC2ON=C(C(OC)=O)C2,RSAAHMMQEBADCK-UHFFFAOYSA-N
-B55184FC252202F6_5E7587ABBC8DAC33_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=CC=C3)(=O)=O)C4=CSC=C4,JJGMKIVTTLYUSE-UHFFFAOYSA-N
-B58363DBEF0DA9D3_33D7D08740259B60_6029_UN,CC1=CC(=NC=C1)OC2CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,QIZDVNXXEPJWGW-UHFFFAOYSA-N
-B78BD7EF5BD4A92A_E7579DCEE2DCF613_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(CCC3=C(C(OC)=O)N=CC=C3)=O,YOILIRXSFDKMGK-UHFFFAOYSA-N
-B7982ACA5941B022_9A00F5716C55D587_6038_UN,C[C@@H](NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]C(=N3)C,MPHHZCIMKXTOHH-LLVKDONJSA-N
-B8C6F6216EFCD834_8975E50C1926C24F_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=C([S](Cl)(=O)=O)C=C2)(=O)=O,XJZSYUQADOSQHG-UHFFFAOYSA-N
-B90631E2B198085E_3F462A254D199CF8_6029_UN,FC1=CC(=CC(=C1)F)N2CCN(CC2)[S](C3=C(CO)C=CC=N3)(=O)=O,LMQFYZVINAFNAG-UHFFFAOYSA-N
-B9B1DCB9BEF45746_AD756BA97E12FDE6_6038_UN,CC1=C(C=NC=C1)CCCOC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VSYPNJGXZNYQMB-UHFFFAOYSA-N
-BB557286A6839AA7_DC469E0A7403C4A4_6041_UN,CN(C)C1=NC(=C(C=N1)NC2C3=C(SCC2)C=CC=C3)C,BYUREUFOKOMAMM-UHFFFAOYSA-N
-BD5500272C04D903_CE01C40593684BEA_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC=C3)CC4,JGNCHZFTXMBWOR-UHFFFAOYSA-N
-BE191849D63C570E_D0453706B0FF2DD4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=C(C)C=NC=C3,SMNJWGJCGSZGML-UHFFFAOYSA-N
-BEB5EC44624AE08A_52E05577B6F62EFA_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,JHNJNSVZTVSZAG-OAHLLOKOSA-N
-C3DA1496B4869116_C8D9C8F7D383A0B9_6038_UN,CC(OC(CCCN1C(CN(C)C1=O)=O)=O)C2=C(C=CN=C2)C,XQGDDZZZBBFQCY-UHFFFAOYSA-N
-C46DF4FBA0DC8A22_DCFE263AD2B4DD8C_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=CC=C3)(=O)=O)C4=NC=CS4,DPUNPDOAHBRWBL-UHFFFAOYSA-N
-C948740D45EF9D1F_C37011C22286AB8B_6029_UN,FC1(CCN(CC1)[S](C2=C(CO)C=CC(=C2)C#N)(=O)=O)C3=NC=CC=C3,KCFAFYFGGFJAHS-UHFFFAOYSA-N
-CA9D3C9563B54087_CE58946A9A93DE1E_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=C(C)C=C3)(=O)=O)C4=CSC=C4,ZIOSQFOSTJDRSY-UHFFFAOYSA-N
-CBFE95B89F6BD9CC_907EE80C26FEA2B5_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,IDELNTSKVCFFTK-UHFFFAOYSA-N
-CC435213627202D9_15C99D12A39D1C76_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C(F)F)C=CC=C3)(=O)=O,SXANEDHYZPODII-UHFFFAOYSA-N
-CE40A50FF34DDB6B_086056430DAAFBB1_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=C(C[S](C)(=O)=O)C=C2)CC3)C=CC=C4,BVNLZWJZQOEEAV-UHFFFAOYSA-N
-CEC2A23C01DD2864_E3B99B5DAF33ABF3_6029_UN,N(C1=CC=C(C=C1)N2CCC(O)C2)[S](C4=CN=C(C3=NN=C[N]3C)C=C4)(=O)=O,UQCJZJUHZJIUSB-UHFFFAOYSA-N
-D91643360B2A83E1_B2303D898A85ADA8_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,XXOZOMYMPGECBL-UHFFFAOYSA-N
-D9E8D05FA0D9A109_0BF9CD43D81CC24F_6029_UN,C1CC(CCN1[S](C2=CC=C(S2)C3CC3)(=O)=O)C4=NC=CC=C4,BIDIDBVBDPFMTJ-UHFFFAOYSA-N
-DD1642BACD63AEBD_A39D16AE9ECBD56F_6038_UN,CC(OC(C1=CC=C(C(OC)=O)[NH]1)=O)CCCCN(C)C,RUDWEPNVHTUSLF-UHFFFAOYSA-N
-DE201B3D44E3FFC4_B971A212A41294A2_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3CN(C(=O)C3)C4=CC=CC=C4,JFZLBHDILLCOKA-UHFFFAOYSA-N
-DE6FF9295F089B90_3A28B87B719568A2_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC(C2=CC(=C(OC)C=C2)OC)=O)=O,NJZFONAAFNBMAE-NSHDSACASA-N
-E007DDCA2856E4F1_3A3910EB053D6610_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=CC=CS4,OJPDPUCEEGBWSZ-UHFFFAOYSA-N
-E0D78B88D30F0B7F_C2222E88DC8BF323_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,DPLOLHRDRLTNIM-UHFFFAOYSA-N
-E3066357A8CE79A7_A8FC6B975AC9992E_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,FVSKILLMAMSJJB-UHFFFAOYSA-N
-E325B6EF3C713454_750F32B03A982680_6028_UN,C1CC(=CCN1[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O)C5=NC=CS5,JZSBMESZDAMAMT-UHFFFAOYSA-N
-E3660E0DA08D0CD8_2088A73F5C2A2BD6_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC(C3=CC=C(C)C=C3)N4CCOCC4,FWSYCWHUKSYNQM-UHFFFAOYSA-N
-E5012CF8547FB4A7_2540B1D9B1B1C3F2_6039_UN,CC1=NC3=C(C(=C1)N2CCC(OCCC[S](C)(=O)=O)CC2)C=CC=C3,OVOWJZZJHMUAMQ-UHFFFAOYSA-N
-E60BE8FC7C84195F_532A0ECE8F4CB194_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC4C3=CC=C2C=CC=CC2=C3OCCC4,YUKLAXKTFVFSOF-UHFFFAOYSA-N
-E69B4E71C07A90F2_21D2F330C6324F07_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CC3,BBMLXQWIDBBJFS-UHFFFAOYSA-N
-E6AC94FA3ADF5F11_F50B63B7F5A48CEB_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)[N]5N=C4C=CC=CC4=N5,OTFRMINUVFKPJI-UHFFFAOYSA-N
-E71A0D51C413FE64_856D9CCD1103BA13_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=CC(=C3)C4=C[N](C)N=C4)(=O)=O,BVEZFUJVFXXRRA-UHFFFAOYSA-N
-E88585550B540CE8_8291DD22BB4CFBFF_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(=O)CCCC(=O)C3=CC4=C(C=C3)OCCO4,BDMFKMIMLKIKIS-UHFFFAOYSA-N
-E948208ABDE9D53B_A66A423323F3951B_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=NN=CC=C4,KIIDOQHIVXZIGV-UHFFFAOYSA-N
-EA16B1EE371C90AD_F1021A1205611882_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=CC(=CC=C3)Cl,LBSBVCVYNOWKNT-UHFFFAOYSA-N
-EB7D588840AEE272_B4826887573281EB_6038_UN,CC(C)C(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]N=N3,FHJSGCFMDIXTIX-UHFFFAOYSA-N
-EE847229CDB6E5C8_2183C23D30C65BAB_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H]3C[C@@H](CN(C)C)C3,LNLSQRWBJZWJNM-XYPYZODXSA-N
-EEEAE2A2CEFBAC18_D0B6699A3B1721CE_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,GJJIKIHPLNZVLY-UHFFFAOYSA-N
-F01B8DBB2A1B978F_7AC063A7193DE4A9_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=NC=CC=C4,QPBNTPKPYDBJGF-UHFFFAOYSA-N
-F20F16BFA35116F7_A58E231F38CC1835_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CC(N(C)C)C3,SGQFOPODIQFBIJ-UHFFFAOYSA-N
-F293A5EF86316856_077EDE51ED2E8021_6038_UN,COC1=CC=C(C=C1)C4C(COC(=O)C2=CC(=CN=C2)[N]3C=NN=N3)CCC(=O)N4C,UBKFWXSXWXKMPM-UHFFFAOYSA-N
-F30B88C772FD34E7_124CC0296FF6ADA3_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=CC=C3)(=O)=O)C4=CSC=N4,LVYCSYBSLCHECT-UHFFFAOYSA-N
-F49D71E52C0D7BD5_0111752D0CECFEC9_6039_UN,O(C2CCN(CC1=CSC=C1)CC2)CC3=CC=C(C[S](C)(=O)=O)C=C3,PZRXVORKHDFAAP-UHFFFAOYSA-N
-F50DC7591C0A07FD_FF1346012C7BB298_6029_DP,C(N5CCC1=C(C4=C([N]1[S](C3=CN=C(C2CNC2)N=C3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,YOQHMMIREGDXDK-UHFFFAOYSA-N
-F5C6B006581B8D2C_7F055597A1C13A2B_6038_UN,CCC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[NH]3,VSLGVMWLUJZBJP-UHFFFAOYSA-N
-F5D31F08C7929A17_DAF42AC6BE44ECED_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,NGNFDZXOLPMODB-UHFFFAOYSA-N
-F6B63B86EACC85C3_D145996FC8531F4B_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3,XFQCPEZDOXPPGU-UHFFFAOYSA-N
-F6C8204404DA9906_CE4255B4C5DC9B61_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C[S](C)(=O)=O)C=CC=C2)C=C3,IWXNDTMFYJWYBI-UHFFFAOYSA-N
-F83C9880B6E81F69_9EFC6516AF7BD834_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CC=NC=C3,YRMFLOGVBBAEQS-UHFFFAOYSA-N
-F8C27DE0E8B5089D_BF780F1DD6461F76_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OCC3F)C=CC=C4,YKGKYFMYFWUDTN-UHFFFAOYSA-N
-FD0C1B2FBEE10EEA_6E8AA1535E3DF096_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)C3=NN=CC=C3,RQQAMORLMCGPJF-UHFFFAOYSA-N
-FE41A032D30A2EC2_F014395AAF6CB273_6029_UN,C1CN(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=CS4,FKAYIRAPJYBHDZ-UHFFFAOYSA-N
-rxn:2:108572:155159,CN1CCN(c2cncc(CNC(CC3=NCCO3)c3ccc(S(C)(=O)=O)cc3)c2)CC1,QMZZEZWCJVJMFW-UHFFFAOYSA-N
-rxn:2:110151:149518,Cc1nc(N2CCN(C)CC2)nc(C)c1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,DVJFZTDWISTPTG-UHFFFAOYSA-N
-rxn:2:115504:162580,CCC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCS(=O)(=O)CC2)nc1,JCPPKTAMTJWOPB-UHFFFAOYSA-N
-rxn:2:116121:160422,CCN1CCN(c2cc(C)c(CNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cn2)CC1,SNXSLZZEOJIVFK-UHFFFAOYSA-N
-rxn:2:128681:155159,CN1CCN(c2cc(CNC(CC3=NCCO3)c3ccc(S(C)(=O)=O)cc3)ccn2)CC1,LHEXBJMJUPQNDS-UHFFFAOYSA-N
-rxn:2:128681:162580,CCC(NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,WZRYTMXLTZIJOG-UHFFFAOYSA-N
-rxn:2:131050:151416,CN1CCN(c2ccncc2CNC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,MJQDRZDBHAUOLO-UHFFFAOYSA-N
-rxn:2:132011:162580,CCC(Nc1ccc(N2CCCN(C)CC2)cn1)c1ccc(N2CCS(=O)(=O)CC2)nc1,QDSDCOMSVBJLSU-UHFFFAOYSA-N
-rxn:2:133036:160422,CS(=O)(=O)c1ccc(N2CCC(Nc3ccc(N4CCN(C5CC5)CC4)cc3)CC2)cc1,STJUPXLXQNJBBK-UHFFFAOYSA-N
-rxn:2:133036:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3ccc(N4CCN(C5CC5)CC4)cc3)CC2)c1,PYEZYLOCBZRQDY-UHFFFAOYSA-N
-rxn:2:134766:78354,CN1CCN(c2cc(N3CCC(NCc4cccc(N5CCS(=O)(=O)CC5)c4)C3)ncn2)CC1,DKXOXGNNBZOBLV-UHFFFAOYSA-N
-rxn:2:138627:101851,CC(N[C@H]1CCOc2ccc(S(C)(=O)=O)cc21)c1cccc(N(C)C2CCN(C)CC2)c1,LCBKMRRLHRLZAV-LUTIACGYSA-N
-rxn:2:139841:163743,CS(=O)(=O)c1cccc(C(NCc2cccc(N3CCN(C4CC4)CC3)n2)C2CCC2)c1,VDPKPVGVOPSAGL-UHFFFAOYSA-N
-rxn:2:139841:166005,CS(=O)(=O)c1cccc(N2CCC(NCc3cccc(N4CCN(C5CC5)CC4)n3)CC2)c1,UHZBOBOFZWCVFV-UHFFFAOYSA-N
-rxn:2:66420:146977,CC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ccccc1-c1ccnc(N2CCN(C)CC2)c1,XGBWNHMPFQOTAV-UHFFFAOYSA-N
-rxn:2:71981:151416,CS(=O)(=O)c1ccc(CC2CCC(Nc3ccc(N4CCN(C5CC5)CC4)cn3)CC2)cc1,FIZPTQGPTGCVCT-UHFFFAOYSA-N
-rxn:2:79099:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3ccc(C4CCN(C5CC5)CC4)cc3)CC2)c1,RMWMQQIUTCHXKM-UHFFFAOYSA-N
-rxn:2:82104:155159,Cc1cc(N2CCN(C)CC2)ncc1NC(CC1=NCCO1)c1ccc(S(C)(=O)=O)cc1,ZQYALSNAVWHTJE-UHFFFAOYSA-N
-rxn:2:83881:155159,CCc1ccc(N2CCN(C)CC2)cc1NC(CC1=NCCO1)c1ccc(S(C)(=O)=O)cc1,BREYIKNTXMLLFI-UHFFFAOYSA-N
-rxn:2:86365:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3cccc(N4CCN(C5CC5)CC4)c3)CC2)c1,AOCFOTHLVLAVOJ-UHFFFAOYSA-N
-rxn:2:90709:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3ccnc(N4CCN(C5CC5)CC4)c3)CC2)c1,BUFVJPPIDNLAMS-UHFFFAOYSA-N
-000B9BA2C2D8F148_5643B308F9F2583E_6036_UN,C(C1=CSC(=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,RZTBQJBTUIDGQQ-UHFFFAOYSA-N
-0073F6ABBDF5349D_F3F4DE9D390277EA_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)C=CN3CC4=CC=C([S](C)(=O)=O)C=C4,VYGKJWDDKNOOMT-UHFFFAOYSA-N
-0278EC4BC0FA9476_14F7FC65D545B903_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC3=CC=C([S](C)(=O)=O)C=C3)C4CCNCC4,FCVDTJHZSAEPFG-UHFFFAOYSA-N
-06347B45B2B20CFF_584A992205F4E723_6027_UN,COC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,LIEGJNOLXMNLDY-UHFFFAOYSA-N
-070C8C7825B88CBE_937BFC451DCF88E0_6036_UN,C(C1=C(C=CS1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,OXBXPGFZYQSXRY-UHFFFAOYSA-N
-0840E1AE8536454B_393943D9F54B532C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC(C)C4=CC=C(C=C4)N5[S](CCC5)(=O)=O,SFESODRYKLHCHC-UHFFFAOYSA-N
-0BB12344ED9892E4_37A75FE9F449A03F_6038_UN,O(C1CC=CC1)C(C2=CC=CC(=C2)C3=N[NH]C(=N3)C)=O,XSIQINSXIWWFRH-UHFFFAOYSA-N
-0C2FC7DD9ABD7EF6_7BB6ECF5E45EF88F_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C4=C3OCCC3=CC(=C4)F)(=O)=O,ZWDJVRCTCBRXBA-UHFFFAOYSA-N
-0C3F2A1D674B8526_A0B4DCD001AFE3D5_6041_UN,COC1=C(C=C(C=C1)NCC(OC)=O)N2C(=O)C=CC2=O,BUYVKUGMIUOASY-UHFFFAOYSA-N
-11A1858E4AE73985_8BFCB250C91FC777_6038_UN,C[S](=O)(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=CN3C2=NCC3)F,SPKJKMIVXCMLIJ-UHFFFAOYSA-N
-125073F792180320_C50A3D9D61E4A40D_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=CC(=C2)OCC)F,MDBVFXXDFPADHO-UHFFFAOYSA-N
-132F9128A804CB98_E187ADEB237D87C5_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)CC#N)(=O)=O)C3=NC=CC=N3,HGUTVKLCNXKFRG-UHFFFAOYSA-N
-13D1F3959BC230EA_5492EBFAA73982AA_6029_UN,C1CC(CCN1[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,BZMWTVNZWFQKQE-UHFFFAOYSA-N
-140CC9619C4B25AE_8D4B11AF6A30AA28_6034_UN,C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC4=C([S](C)(=O)=O)C=CC=C4,DDFSRDIXBLVQNY-UHFFFAOYSA-N
-14B0CBBA3ECEF800_168208F41AE5B157_6034_UN,C1NCCC(C1)C2=C3C(=CC=C2)N(C=C3)CC4=CC=C([S](C)(=O)=O)C=C4,UGQKXYBRLVAQLL-UHFFFAOYSA-N
-15661B28ED777E87_DF04B58773AD342D_6029_UN,ClC1CCN(CC1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,VORDSRDKICMFFA-UHFFFAOYSA-N
-16B9E7736F95401B_93FC23B611B156A6_6029_UN,CC1=NC=C(C=C1)C2CCN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,QJMSAUDXCZYVNX-UHFFFAOYSA-N
-16CE3811832C57DD_F11357644D08C70B_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)C4CC4,IKHXAHWZVDUXMP-AWEZNQCLSA-N
-16D576AF71E2B904_8DEF95AF7E5B824A_7015_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YXPMIMLEAWQRNG-UHFFFAOYSA-N
-17784413B59BD141_1F540189E097A448_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)=O)(=O)=O,WGKGWBMFDNWDBW-UHFFFAOYSA-N
-179A83485F0A769B_EA3151934DDDB461_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C)C=CC(=C2C)[N](=O)=O)C=C3,VMADSMIABICBIF-UHFFFAOYSA-N
-18911EE505FE8A5B_2E85695A66AA1BA4_6028_UN,CN5CCC1=C(C4=C(N1[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O)C=CC(=C4)Cl)C5,UXAYTZTUKDKAHL-UHFFFAOYSA-N
-1B0B8144A7730207_1E93360A304F7796_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2O)CCl,FJZPJVVTWIXPMO-UHFFFAOYSA-N
-1BA570E0B4F18A5D_223ACE404E17187E_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,BYBXBXIELZPAHG-UHFFFAOYSA-N
-1C753F94573EEA79_ACA77B402C674834_6041_UN,O=[N]1=CC=C(C=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,VJVUNZUWNSNJNO-UHFFFAOYSA-N
-1C84801D8E108112_62DD34B29EE2A5BC_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C(C)OC4=C3C=CC(=C4)F,POWWQUUOQBDQRF-UHFFFAOYSA-N
-1CE467DB0C714FD4_915F85A4FFC58D67_6041_UN,CC1=C(N=C(N=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,HTKCSXQXABCFSS-ZDUSSCGKSA-N
-1D0A53382BEF4AF7_B1B8B49209A11394_7015_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,LIHLMQZJHAVIBA-UHFFFAOYSA-N
-1DA36F36E697109E_2611153458F73904_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CC=C(C)CC3,MUBVPOZTVBESIZ-UHFFFAOYSA-N
-1FA6F769BB72DD95_A2BAEAEBC09F7302_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,SWUGQFIEFLQUMQ-UHFFFAOYSA-N
-1FBD45DA4948A4C9_0EE6F7CD6DB3E37F_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)N(C=C3)CCC4=CC=C([S](C)(=O)=O)C=C4,GWEVAECIEQJRCO-UHFFFAOYSA-N
-209A9ED1EEB52FE0_886301C511661732_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,QKPPTILQJVBICS-UHFFFAOYSA-N
-20FD12462C37861E_C3E7BD854EF5CE21_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,IRJHWHMXESTXIB-UHFFFAOYSA-N
-21115CFECE084C27_346F3B94243ED039_6038_UN,N(C2C[N]1N=NN=C1CC2)C(C3=C(C=CC(=C3)N(C)C)F)=O,FWNWZSIFOSVFTA-UHFFFAOYSA-N
-219F75BCAD72FAED_9E4855494A7312B5_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,DPUBTICLTVXLBR-UHFFFAOYSA-N
-2470A8F6A1A7973F_4DB2043ADAE322A3_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4)Cl,SSGGFDBDRBPDBG-UHFFFAOYSA-N
-2761438D0186612B_8F6806D176111D9D_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4C)[S](=O)(=O)C,JCARWLAVRBAGLP-UHFFFAOYSA-N
-28069ADA35F980C3_62FD8FC9C7E3A6F1_6038_UN,CC1=C(C=CC(=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,ODCOASGSWNKCDJ-UHFFFAOYSA-N
-2A8105E84A1EE22A_0EE975198C44080A_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,UOAKBPYKQTYSEY-UHFFFAOYSA-N
-2C1AEBA0A0863F2F_9D2C9FA1514DEDEA_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3(C(N(C)C)=O)CC3)=O,RTAVNCZPPSYJQQ-UHFFFAOYSA-N
-2CA689BC309384C3_5F092E0133ECB607_6003_UN,O(CC1NC(=O)NC1=O)C2=C(C(=CC=C2)CC(OC)=O)[N](=O)=O,QRVWKGHTIMDJAJ-UHFFFAOYSA-N
-2CC93A1FFB403969_BCB4912432E7FD87_6038_UN,O(C1=CC=C(C=C1)[N]2C=NN=N2)C(C3(C(N(C)C)=O)CC3)=O,IDEYAQALYLIWKW-UHFFFAOYSA-N
-2DC794CF4CF0EB31_64A9651319D41B99_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(C)C=C2C)[N](=O)=O)C=C3,XQERXUUKCSOMDP-UHFFFAOYSA-N
-2EBD7DE9C82B4C94_FA9927C82B16BEC6_6038_UN,CCC(NC(=O)C1=NNC(=O)CC1)C2=CC=C(C=C2)OC,QBFYZKVECGOXRT-UHFFFAOYSA-N
-2ED70C5FECC2D208_6E364996C37C9988_6029_UN,OC(=O)C1=C2C(=CC=C1)N(CCC2)[S](C3=CC(=CC=C3)[N]4C=NN=N4)(=O)=O,YSXBZENESSGLRP-UHFFFAOYSA-N
-3082800780CFCD6A_5A07D38F72254E59_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCC2OC)C=CC=C3)C4CC4,HSWWRJUEYPNPLZ-UHFFFAOYSA-N
-3160A52906A4BCDD_44B5210A58C47CCD_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2NC3(C(N(C)C)=O)CC3,QHHICZMFHQOJNO-UHFFFAOYSA-N
-336FC5E5A063B98E_1303B9F02364E6EB_6034_UN,C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C([S](C)(=O)=O)C=C4,XMYJUIMTNOQFPG-UHFFFAOYSA-N
-343BB56EDD6381D2_796612A5FF4EC57F_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,KVHLHTADZJTGSI-UHFFFAOYSA-N
-349173874771AD8D_C8E865886C4EAD77_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=CC=C2OC(F)(F)F,JWTDYVDOQLPIPO-UHFFFAOYSA-N
-3583F799AF5A2988_D4CEB8541A4E455B_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CC=C(C#N)C=C3)C4CC4,VHBTZIRGBBJJOL-UHFFFAOYSA-N
-3620A8F0538DAC05_7EA5ACFC195FA741_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,SAOHVWRDSNRVHG-UHFFFAOYSA-N
-367D8F784B65477F_7006F5281114909C_6041_UN,CC1=NC(=NC(=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)(=O)C,NJMVZBCIDRWVMC-CYBMUJFWSA-N
-36EF0E843CEB7589_560C32A6CDE20244_6029_UN,CC1=CC(=CN=C1)C2CN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,NAOSDALHGMCOSP-UHFFFAOYSA-N
-37629212A9F20ED4_5F1FE9A8194D1713_6029_UN,CC1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,PALZAHSRPDSTRG-UHFFFAOYSA-N
-387D130E6FFB0821_3FB80A57024E0C78_6031_UN,O(C(=O)C[N]1N=NN=C1C2=CSC=C2)CC3(N(C)C)CC3,AFSBYFAALOONNX-UHFFFAOYSA-N
-3A74F1AB03B33A82_88CAA0AB53B1FD94_6034_UN,C1NCCC(C1)C2=C3C(=CC=C2)N(C=C3)CC4=C([S](C)(=O)=O)C=CC=C4,VELKVZRLORNYNP-UHFFFAOYSA-N
-3B359F07B91777F7_B1A3187B376281A4_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,PQHCVPIUGBQXHO-UHFFFAOYSA-N
-3F80FAB34FA1614F_93EBEA155F9F8424_6026_UN,CN1CC2=C(CC1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,HORWYGLZXSTFHC-UHFFFAOYSA-N
-43B213BBFE1A42FC_FBE5CFDE6794F2BE_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(OC)=O)C=CC(=C2)Br)C=C3,OOFAQALSIKSLNE-UHFFFAOYSA-N
-4448FAB839DB427E_A3808775830EB9FC_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2(C)C3=C(OCC2)C=CC=C3)C4CC4,AKLUCZURQVZQKD-UHFFFAOYSA-N
-467720CAA4FE7E89_324BB7E34AE1EB42_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(OC)=O)C=C(C=C2)Br)C=C3,ACOXLBYBRMLZTM-UHFFFAOYSA-N
-46E322FBF48EF8A3_98D56E244096D886_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=CC=C(C=C2)C3=NN=N[N]3C4CC4)C,SFMWKHYTDGNAMQ-UHFFFAOYSA-N
-46E322FBF48EF8A3_98EE6EC4E8125136_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=CC=C(C=C2)C3=NN=N[N]3C4CC4)C,SFMWKHYTDGNAMQ-UHFFFAOYSA-N
-471BDFA598D19254_F0037B3F22CC1F03_6036_UN,C(C1=C(SC=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,AVFARAVSEICCEN-UHFFFAOYSA-N
-480D0088DDFDEC53_57D2B8B6D19C6F8B_6029_DP,C3=CC1=C(C=C(C=C1)C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CCNCC4)C=N5)(=O)=O,FJVZKNFCLTUGBC-UHFFFAOYSA-N
-490B9C949ACD9D21_E0119FCBA8FE1842_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC(C)C2=CC3=C(C=C2)OCCC3,OYQCOWDLKYOEQA-UHFFFAOYSA-N
-4A52CB01BA5FD5CD_71129DDA7AEBC1AD_6028_UN,CC1CN(CCN1[S](C2=CC(=CN=C2)Br)(=O)=O)C3=NC=NC(=C3)N(C)C,CUYGPZKMRNKFAU-UHFFFAOYSA-N
-4A8A986330781EDA_799756001DD922CF_6026_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,XBVRQWDMTDZUCG-UHFFFAOYSA-N
-4B5D168F764E39BD_1580C528B70340BA_6041_UN,COC1=C(C=C(C=C1)NC2=CCOC2=O)N3C(=O)C=CC3=O,PDFCOWMGYNGALE-UHFFFAOYSA-N
-4B9D2896367CD1E6_C47D7ECF09599532_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC(=C(N(CC)CC)C=C2)F,LCWLZGDDOWPIDZ-UHFFFAOYSA-N
-4C80569144541956_46E66D94C8F7CF4F_6028_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,UNFLDXZTPKTPNZ-UHFFFAOYSA-N
-4D7510F9439FB8A7_2410A058BF933363_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(C=C2)CC#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,PHEYOXMWLWYYKU-UHFFFAOYSA-N
-4EA4C896F7EE2A3E_54C1A2A250DE59C3_7015_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HOOGGFOWMKXUIL-UHFFFAOYSA-N
-4F6C902B492A5229_995CCC0BC8180FD8_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HRRUORICESCMHF-UHFFFAOYSA-N
-4F6C902B492A5229_A4269B2680DB6D32_6027_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HRRUORICESCMHF-UHFFFAOYSA-N
-4F6C902B492A5229_A4269B2680DB6D32_7015_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HRRUORICESCMHF-UHFFFAOYSA-N
-4F752251496993CB_FB7C37DFBE57BEC8_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)N(C=C3)CC4=CC=C([S](C)(=O)=O)C=C4,LPENWIOKAYZJSJ-UHFFFAOYSA-N
-5026005390062626_98DF252FD3B7D936_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C(OC)=O)C=C2)Cl)C=C3,OIFXSAMJUILISD-UHFFFAOYSA-N
-53561479453B9054_442196256785C9AA_6043_UN,OC1=N[N](C=C1)C2=CC=C(C=C2)N3[S](CCN(C)CC3)(=O)=O,SKLJUFBMKKQNAO-UHFFFAOYSA-N
-53C931E2B017A480_C58BE50E50636799_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCC2)N=CC=C3)C4CC4,YLVAVJNBENLWER-UHFFFAOYSA-N
-54FA16404E00A939_C8623A9012EE2EE2_6041_UN,COC(=O)C1=N[NH]C=C1NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,MSDRQPSRJUTDQI-UHFFFAOYSA-N
-5547F8677D98E8B6_D39F983639449652_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OC2)C=CC=C3)C4CC4,OUNLBZLDPNRWRT-UHFFFAOYSA-N
-56884ED93143EC6E_8AE2790CAF7A3F3D_6041_UN,CC1=C(N=C(N=C1)NC3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,HTKCSXQXABCFSS-UHFFFAOYSA-N
-56B51D895299596B_ED3A0DB45103422F_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2F)C,ZWYYCYVXHHEMAS-UHFFFAOYSA-N
-590F73E97EB6962B_945831E7773241EC_6041_UN,CC1=C(N=C(N=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)(=O)C,FELLRXOQYUUONX-ZDUSSCGKSA-N
-5B004C39A2A5380A_E69979E2F080BB5C_6034_UN,C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CCC4=CC=C([S](C)(=O)=O)C=C4,PBTOYRAVRLBHEX-UHFFFAOYSA-N
-5B3042304669BF82_0A7C93B9B119EFE9_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,FWACVZKOILBNCV-UHFFFAOYSA-N
-5DA7CCC1433528E4_49216FBDF37EB053_6029_UN,CC1CC(CC1)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,GRMDXHUNAPNXHX-UHFFFAOYSA-N
-5E1435518C712B76_CF455C71E8AAFA8D_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=C3OCC(C3=CC(=C4)C)O)(=O)=O,WUUJEWRKWMVXDN-UHFFFAOYSA-N
-5F0D266579957934_D1221973246B07CF_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,BAQNEYHUMRLVHF-UHFFFAOYSA-N
-5F7F215B24A42607_972349E211C7B318_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C3OCCCC3=CC=C4)(=O)=O,WPMOYVCMBTXBFK-UHFFFAOYSA-N
-6002F0148ECDFFC6_D80B059F6E253178_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4([S](C)(=O)=O)CC4,YDXQUUBPKNPMHX-UHFFFAOYSA-N
-600707FE35F4CC47_AE68C548F31E46DF_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)[N]5C=C(C=N5)C6=CC=CC=C6,ACWTZCMCIRQQID-UHFFFAOYSA-N
-616CFAC8B5EEE621_00BEEABF42E99C11_6038_UN,N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,MXHFHZAVVUNOMB-UHFFFAOYSA-N
-619231095719CA0A_06AFE4F3B95D4B7B_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=N[NH]C=C3C)=O,TVXYAFCRONBWPM-UHFFFAOYSA-N
-644215C3AA0FE67C_D38E3D7E83754B9B_7022_UN,CC1=C(C2=C(C=C1)N=CC=C2)OC4=CC=C(C(N3CCN([S](C)(=O)=O)CC3)=O)C=C4,OEAKAJBFENNRDD-UHFFFAOYSA-N
-64C01376C4F0FBAC_7446AF5D5F2FC35F_6034_UN,C1NCCC(C1)C2=C3C(=CC=C2)N(C=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,JTDLFCVQTXUXFE-UHFFFAOYSA-N
-64E8EA5F8F21F0BB_25B6374CE183A544_6038_UN,CCC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[NH]2,ZILMBNRJQQWXCQ-UHFFFAOYSA-N
-693568B95F47AF1F_068FBB68836FE77E_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CC4,LNKAIGKXNAFABK-UHFFFAOYSA-N
-6B55A0A7F96DCD90_45C625B9D4293795_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,NDYFIHITMOCWPD-UHFFFAOYSA-N
-6DEDC0BD00DC1A96_D4E1E58AEBC432EB_6038_DP,N3C[C@H](NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)CO3,ICSXKTZAKFDPLD-NKUHCKNESA-N
-6E73F439FAD64C8E_E0143E69B5DBFE97_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C[S](C)(=O)=O,ZHLCZNAXMCIBHN-UHFFFAOYSA-N
-6EECF7ECDA831523_AA19A6D4304B68F5_6029_UN,CC1=CC=C(C=C1)CC2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,QDIQHKHQKIXUDX-UHFFFAOYSA-N
-6FEA5723AAC20C0D_6941DCDFD434CF9F_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,BESXEJGMCPBJSJ-UHFFFAOYSA-N
-72E2D53AE80F4582_76335BCC908FCB0B_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4)C5CCNCC5,IMTGFSUEVUABMX-UHFFFAOYSA-N
-7368099662C31192_CF3DCE462C877719_7015_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,UFTYOKLLKYCUMJ-UHFFFAOYSA-N
-7498A9E5FE0A6FF9_5EDF6D4E6A01E0CD_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(OC)=O)C=CC(=C2)Cl)C=C3,ARVDGZINKWOGID-UHFFFAOYSA-N
-74A78F53B40B2604_F36AEF7B5B7DE6C7_7015_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YYKBHQRXAQTIPZ-UHFFFAOYSA-N
-75B0C64E0F4F1B25_9828ECE0549BAFC4_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC(=CC(=C2C)C)[S](=O)(=O)C)=O)C=C3,TZQQBLBYIPRQSI-UHFFFAOYSA-N
-75D39A420FEB2183_A3A58451B446DD49_6038_UN,N(C1=CC(=CC=C1)C2=NN=N[N]2C3CC3)C(C4(ON=C(C)C4)C)=O,GIXJMPOLYPOMJV-UHFFFAOYSA-N
-775BF016AFFB9622_44D00F227B5BEA1D_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C(OC)=O)C=C2)F)C=C3,QXQURNNLRLJEJJ-UHFFFAOYSA-N
-7760C47BDFE05E81_6D9A055DFE351D04_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,PKUOPIOSBZBEGK-UHFFFAOYSA-N
-77C0D878B26AA3AC_6794B616811D2DCB_6041_UN,C1(=CC=C(O1)C2=NN=N[NH]2)NC4(C3=CC(=C(C(OC)=O)C=C3)C)CC4,XUEULTFGRRCPML-UHFFFAOYSA-N
-77C996F78D3CABF4_3FC94E701C27E3EB_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=CC(=C2O)OC)Cl,SXADCFWGKQZIPQ-UHFFFAOYSA-N
-7890A5FDB65C5601_5C4365DF4C37739E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3)C4CC4,QKYFJMJWRBXAFM-MRXNPFEDSA-N
-79F22B09FB87E83F_FDCEFECC81CD8B4D_6029_UN,OC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,NCOBNIKDAIJMSF-UHFFFAOYSA-N
-7A1663379C0F2606_80279041BA0336CC_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,SVSAQOWATHTSGX-UHFFFAOYSA-N
-7BBEC95333B8342B_B5A61F768D47B5E0_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CN([S](C)(=O)=O)C3,NXMPBCGRAIDBLM-UHFFFAOYSA-N
-7C2F9D0A5514B17B_E0E5B19C54C089AD_6038_UN,COCC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[NH]2,WDCWXDNZDQBTGQ-UHFFFAOYSA-N
-7D1080D3249DD829_7F0A4AA88F7BD831_7015_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YVIBFXZYKZXMOB-UHFFFAOYSA-N
-7D14406C2D633262_FDEFC3E6E872808B_6041_UN,CC1=C(C=C(C=C1)NC3=C(N=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,CBEOBTVNYFIMIW-UHFFFAOYSA-N
-7DBBD65D9A43B70F_D39834E64B190E73_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(CC)C=C3)(=O)=O,IUAWTZUURJAESA-UHFFFAOYSA-N
-7DBFE7166253BF43_33C1AED483A206ED_6036_UN,C(C1=CSC(=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,OWHGCKSOJPUJPU-UHFFFAOYSA-N
-84B2B407BDA89B72_810B76A43D273B76_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C5CC5,LIDVQGWURCDLRH-UHFFFAOYSA-N
-850C2E8CCD6ACDCB_72EAD3A2C2810263_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CCOC)C=C3)(=O)=O,JVXMZDOHWGLKJB-UHFFFAOYSA-N
-85334B3855BF2D8C_90DF51F6A40BC7F8_6041_DP,C1(=CC=C(C=C1)C(=O)C2=CC=CC=C2)NC3=CC=C(O)C=C3,ZTYSOHOTHMYENG-UHFFFAOYSA-N
-88036552312A544E_47BB6E49C95F30EF_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CCOC3=C2C=CC=C3)C4CC4,VKQSJTHRPMBFSQ-UHFFFAOYSA-N
-88FA43D04030BD00_903E0A0029789477_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CC(C)=O)C=C3)(=O)=O,UNYVJGUOIADOTA-UHFFFAOYSA-N
-8C2008434D916EBD_6E1DDDF1A7DAF29F_6038_UN,CC1=CC(=CC(=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,ALGZQBLPAGBTAG-UHFFFAOYSA-N
-8DB4A70CFE4456B4_165C15C6462DC5C8_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=CC(=CC=C2)C3=NN=N[N]3C4CC4)C,JTAYRTSKGRBQMR-UHFFFAOYSA-N
-8DB4A70CFE4456B4_16671526EEA94C78_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=CC(=CC=C2)C3=NN=N[N]3C4CC4)C,JTAYRTSKGRBQMR-UHFFFAOYSA-N
-8DC1CFCB84717132_3074949984D1BBF0_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3=C(C)C=C(C=C3)S,NPMVKIBIXXCEMN-UHFFFAOYSA-N
-8F3B6610AF6D0295_594A2C4485A64B44_6041_UN,CCOC(=O)C1=C(C=N[NH]1)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,YSGYFDJSJOPDPT-UHFFFAOYSA-N
-9080CAD525402C94_A0045D77C1D632C1_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CC4,DIRQUFSSSWFXGZ-UHFFFAOYSA-N
-916480DB45A3A9E2_7AA26B93BE2FF82A_6029_UN,OC(=O)C1=C2C(=CC=C1)N(CCC2)[S](C3=C(C=CC=C3)[N]4C=NN=N4)(=O)=O,XWZBPYMOSLREFH-UHFFFAOYSA-N
-918023E2BEE7585C_A30AEB345B298642_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NCC(OC)=O,IYTKDDUXQNDHQM-UHFFFAOYSA-N
-9268E1113F87E3A7_9EFECE3B871EC3F5_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C(C)OC4=C3C=CC=C4,CVXCLNPWLNAKKG-UHFFFAOYSA-N
-949D55DD28EB9EC0_F414E327C5FF0B80_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)C4CC4,ISWZQAFEPKQRPY-AWEZNQCLSA-N
-95D7B499DF5C6A42_C9B8B7402670736C_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C(C)OC3=C2C=CC=C3)C4CC4,GVASLJNCFFLEAA-UHFFFAOYSA-N
-95FE085D26E6088B_A2F0B761AC000C07_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(C=C2)CC#N)(=O)=O)C3=NC=CC=N3,MKHYTXLXUYVOBL-UHFFFAOYSA-N
-9A2863DE2618245A_E0B1F13598C6338A_6028_UN,FC1CN(CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,OYIOMQUJSNVPFF-UHFFFAOYSA-N
-9B46337FEFE711F7_305CD41FF089A48B_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2=CC=CC3=C2OCCC3N(C)C)C4CC4,YZMLOZSGGYQCDN-UHFFFAOYSA-N
-9B6E33BE46131A9B_E7E3D263FAAED4DB_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4)C5CC5,QYVYTWBLUSUZEH-UHFFFAOYSA-N
-9C1FAA8C928E1E33_2B34034EACB79B1A_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(C)C=C(C=C3)S,UCFHIWXZSNLOKW-UHFFFAOYSA-N
-9C1FAA8C928E1E33_7B7FF34E2A66C24B_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(C)C=C(C=C3)S,UCFHIWXZSNLOKW-UHFFFAOYSA-N
-9D7C85BB7A2A667B_FFFC1C7CA866C99C_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC(C)O[N](=O)=O,QPMXIIAZKLDUKA-UHFFFAOYSA-N
-9DF39BDF69FC3768_8DAEF547BD15E1FD_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2OC)F,CNRYHMCMWVMGIE-UHFFFAOYSA-N
-9E46B7975719D546_73C1C34A270E3389_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)OC)C)OC,VKCQCLKFECOSRH-UHFFFAOYSA-N
-A04BA6601490431C_91ABB7EC19888069_6029_UN,CN2CCN(N[S](C1=CC=C(C(OCC)=O)[NH]1)(=O)=O)C2=O,HIJDWLJXBQSYRI-UHFFFAOYSA-N
-A0C5E02BB6EB2AB6_8CF0DEB02F6CBDB2_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(OC)=O)C=C(C=C2)Cl)C=C3,TXLYNFRPXGTFJX-UHFFFAOYSA-N
-A19778E5AEC99E55_6767BAD230EEB8A1_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)CC#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,PCZXDUYOVPPHGX-UHFFFAOYSA-N
-A22E67BC53A97B20_157F2952321804E3_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3C4=C(OCC3OC)C=CC=C4,SYTDIKOQVFUXNE-UHFFFAOYSA-N
-A40E993EB4FF6108_29CE4BFAEF8B2AA7_6029_DP,C3=CC1=C(C=CC(=C1)C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CCNCC4)C=N5)(=O)=O,KSLNESMEHARSBH-UHFFFAOYSA-N
-A52A1AE3884F3E90_6012095D5E1CFD9A_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)C)[S](=O)(=O)C,NVZAYESRBMIXQJ-UHFFFAOYSA-N
-A599D8E83F973F8F_6896839F2724C81D_7015_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,PJWZUBTUDPMUJB-UHFFFAOYSA-N
-A5C30BE28D70F50D_2D17FF531A7949B7_6038_UN,N(C1=CC=C(C=C1)C2=NN=N[N]2C3CC3)C(C4(ON=C(C)C4)C)=O,QLRQLSLXJIZFRH-UHFFFAOYSA-N
-A7C06703592405D0_6DF382E891E25481_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C4=NC(=N[NH]4)C5CC5)(=O)=O,BFSIWLGXLCHJMQ-UHFFFAOYSA-N
-AA73EA451EF13FAB_357E4ED01465D1FB_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OC(F)F,WVRISVRMTFMHFM-UHFFFAOYSA-N
-AAF9A2C6EAEC5B33_FFFBBD16182BA763_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C(=C(C=C2)Br)F,ZMGAJORAZJJRDG-UHFFFAOYSA-N
-ACC7917698C7951B_B24DFBF18C058A6A_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3CC(C)(C)OC4=C3C=CC=C4,GHCQWBLOBRJLRX-UHFFFAOYSA-N
-AEC01932FF323361_B0CDF473F61D11C7_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(CC3=CN=CC=C3)C4CCCC4,ZRARZFGGQLTDGS-UHFFFAOYSA-N
-AF7CF4107FE02A04_3C8086AB965F66AF_6041_UN,CC1=NC(=NC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)(=O)C,NJMVZBCIDRWVMC-ZDUSSCGKSA-N
-B038AE6025482E95_10508119E5A8F21B_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,CJDPBMICQPQGAQ-UHFFFAOYSA-N
-B059EC3F2C3C72B4_722AC0E557E46E03_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)C(C)=O)C)(=O)=O,HVHKQJXJLNSGRE-UHFFFAOYSA-N
-B2316005762B42B9_83C293B07EC7C02B_6029_UN,C1CN(CCN1[S](C2=C(Cl)N=CC=C2C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,QUWXREUDODHQLK-UHFFFAOYSA-N
-B3EF809B532F8DD0_398732E81EA8AA24_6041_UN,CC1=NC(=NC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,BYBXBXIELZPAHG-ZDUSSCGKSA-N
-B4942932C8AA2466_FFBE630988637FE1_6029_UN,OC(=O)C1=C2C(=CC=C1)N(CCC2)[S](C3=CC=C(C=C3)[N]4C=NN=N4)(=O)=O,OAXFEAVPVMMKGI-UHFFFAOYSA-N
-B747B3B84C30BC28_1318E25EFE37FFF6_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C(N(C)C)=O)C=CC=C4,RDWCFZPCXGNAGN-UHFFFAOYSA-N
-B8153D5A75415281_21332EA067D50351_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=CC4=C(OC(N(C)C4)=O)C=C5,YJRTXHQJVZIWGH-UHFFFAOYSA-N
-BF09DD5E85F1AA9F_10361D8F54BD539A_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=NC=CC=N4,IWZGUSRXGSJUNZ-UHFFFAOYSA-N
-C06789F2FAC381EE_346933D340E03373_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C4=C3OCC(C3=CC(=C4)C)O)(=O)=O,LIKDHBGDHSIDLE-UHFFFAOYSA-N
-C16015180B774406_2045A72E6E91A1C0_6029_UN,OC1=NC=CC(=C1)N2CCN(CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,FQJLWZMOQINNOM-UHFFFAOYSA-N
-C387130F13665499_8456D45924F618C0_6041_UN,COC(=O)C1=N[NH]C(=C1NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3)C,WEXGMCRZDODHJT-UHFFFAOYSA-N
-C4CCDC02F91C68A7_4D6CD8AA340EE4AF_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)OC(C)C,ATDGACZLRBIYHD-UHFFFAOYSA-N
-C56EFC744DC04AA2_6B5A953CF30DCCA6_2201_UN,CC(C)CC3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,UOXQKEJGXDYMEC-UHFFFAOYSA-N
-C5C93E82AC595C77_684737488C1AE285_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(=O)C3=CC=CC(=O)N3O,SVASRKYKUDFAJO-UHFFFAOYSA-N
-C5FCB30622BB3DC3_B512009CD92265EB_6038_UN,COCC(NC(CCCOC1=C(C=C(C)C=C1)C)=O)C2=NN=N[NH]2,ASLIJPFKFHYYAE-UHFFFAOYSA-N
-C682ECC0975F89AF_B7219CE5B933F72A_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)C,IZTUQLMEUPEGED-UHFFFAOYSA-N
-C91DBB8C4953B2ED_1D6ED24E39D1C744_6038_UN,N(C1=CC2=C(C=C1)C(=O)NC2=O)C(C3(C(N(C)C)=O)CC3)=O,DNQIURHWBVDXAO-UHFFFAOYSA-N
-C94F115CBE6FB224_C77AE10D9C119DCF_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC(C)C3=CC4=C(C=C3)OCC4,LTYQCJZYFYVKKV-UHFFFAOYSA-N
-CC76599C8B10D43C_3A1BFF9A8DCB1D69_2201_UN,CC(C)C3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,KLGBBJGNIMXRKX-UHFFFAOYSA-N
-CDDD90A559D282BE_29A30F45040322A6_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3)C4CC4,QKYFJMJWRBXAFM-INIZCTEOSA-N
-D21519178708D966_CDABDD8E75749079_7022_DP,C1(=CC=C(C=C1)C(F)F)N2N=C(N(C)C2=O)C3CNC3,MWRVGPZYVLRAPG-UHFFFAOYSA-N
-D28A2FDCD667E1ED_E318C8E6C901ECE0_6034_UN,C1NCCC(C1)C2=C3C(=CC=C2)N(C=C3)CCC4=CC=C([S](C)(=O)=O)C=C4,ITWFBHLUVVEKCY-UHFFFAOYSA-N
-D2D238BF1DDA2FA7_516EE00804740653_6038_UN,CC1=NC(=C(C=C1)OC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[N](=O)=O,HBHRSCKFWCFLQL-UHFFFAOYSA-N
-D32B832EF86989F5_2B75227268EA2BF3_6028_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,SLUKEZBERPGMNZ-UHFFFAOYSA-N
-D4FB0D0A0F318D91_2012C6C8BFEFAD98_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC(CC)C3CC3,WOZJCXCAMFNERD-UHFFFAOYSA-N
-D5E766DF03E88A2D_46ED4F5E24F7093A_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC(=C[N]2C)[S](=O)(=O)Cl)=O)C=C3,NONWFDXGHJKRDH-UHFFFAOYSA-N
-DAF1FE8FEEA718E7_55B4A4D69A4229D0_6041_DP,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@@H]3CN[C@H](C(OC)=O)C3,YNKRYAHGXYYGNQ-JQWIXIFHSA-N
-DB61A7B5DDEE8D3A_63D0C012868B024D_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]4C3=CC=CC(=C3OCC4)C,KTJIAWLUIIXSDN-HNNXBMFYSA-N
-DBFD4736BD43B66D_556413EEDA3A6D0B_6036_UN,C(C1=C(SC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,XVVGCMXIYZKXOE-UHFFFAOYSA-N
-DD884EFF92D349AA_48E29A9F722F7217_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,FTWBHSNNTYHJDR-UHFFFAOYSA-N
-DDF4DF7DEC5890DF_F7B9030C0A801487_6038_UN,COC1=NSC(=C1CNC(=O)C2C=CC=CC=C2)OC,QSFUZCUMLAXNOZ-UHFFFAOYSA-N
-DE58F27DBC6FD15A_4190AD15809C3A8B_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CCCOC3=C2C=CC=C3)C4CC4,RWXVRDCEKPIJOC-UHFFFAOYSA-N
-DED4DF3E11BE9CE4_B318875BB2A622D4_7015_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=C(C)C=C3)(=O)=O,MWTQYRWRKYVTAI-UHFFFAOYSA-N
-E0F6D406F99364C7_3EBAC354BAB62FCA_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=C(C=C3)C)C4=NN=C(C)O4)(=O)=O,HZTSDPYPPNAFOC-UHFFFAOYSA-N
-E26C3653ADBABBCE_E47C428EEF5C51A8_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)NC2=O)NCC(N(C)C)=O,ZVKSGLORWAKVFH-UHFFFAOYSA-N
-E2A2E1E744A0F1CD_06865F36D8470124_6041_DP,CC2C[N]1N=CC(=C1CN2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,YBUBOSZRAPTOJI-UHFFFAOYSA-N
-E4ECC46EF43068E5_7DC269E195B88334_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=CN=C3)C#C)(=O)=O,VLEWYBMCMVHBPG-UHFFFAOYSA-N
-E5900153F113F577_34C9463A9E66256C_6041_UN,C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,QXQYDGAXNXRSTG-UHFFFAOYSA-N
-E6C6983E304211A3_66D774510E7CCEC6_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,UTJCLXHQYSGOJC-HNNXBMFYSA-N
-E85AE71759E4D159_E01FB6F113AD9277_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2COC3=C2C=C(C)C=C3)C4CC4,WFGCUQYWVDAOSC-UHFFFAOYSA-N
-E8ABA18FD0A6DD72_52FD9CFB33854BA9_6036_UN,C(C1=C(C=CS1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ALJJZHBWUJCNLK-UHFFFAOYSA-N
-E8E9705857D4A7F7_00352713CE7F91AF_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C4=CC=C(C3(C(C)=O)CC3)C=C4)(=O)=O,YIKFWNLDLBTHSA-UHFFFAOYSA-N
-E9F48C2EC6C4332C_3E2A7EDA2D42200F_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=C(C=C2OC)C,QQLFJSWGBNXTGS-UHFFFAOYSA-N
-EAC23E4065738AF8_3EE06AB59660C025_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCCN(C2=CC=C(C)C=C2)CC3,WNYVHQRORIWGAD-UHFFFAOYSA-N
-EB926D673326F735_B95BF66A0D8A4F6E_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3C4=C(OCC3OC)C=CC=C4,QIVZSRIWVVOGOY-UHFFFAOYSA-N
-EDDA5302AA06F7D5_419FDB213CC0B478_6031_UN,O(C(=O)CN1C(=O)CNC1=O)CCNCC2=CC=C(OC)C=C2,COCXREMHSLTPPY-UHFFFAOYSA-N
-EE4744856DCA3BBE_A86E1F86384AEBB4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)(=O)=O)CC4,OCZHCJIEVZCHIQ-UHFFFAOYSA-N
-F190AC5AB4581595_21ADE2AADC868B10_6038_UN,CC1=CC(=C(C=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,WTRZRYUGDPBKMM-UHFFFAOYSA-N
-F30B690E76541ADC_D17DE81FE3789CF8_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=C(C=C3)N4CC[S](CC4)(=O)=O,NBIPNVYMCWIAMJ-UHFFFAOYSA-N
-F557917E384E224C_1802E1F1B3180AEC_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2F)C,GDDJGILTBYXCEE-UHFFFAOYSA-N
-F59E90D39E2EF566_BF549A9D6BEECB90_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2C3=C(OC(C)(C2)C)C=CC=C3)C4CC4,CEIKVUPJARXWJJ-UHFFFAOYSA-N
-F5D57461CADE52F8_7D66FA7E343721B5_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,MVQSTSVQGXZOFQ-MRXNPFEDSA-N
-F6438F80DF2ADB0E_E32E7F8962D7E954_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(N(C)C)C=CC(=C2)[N](=O)=O)=O,WTEZTLQPOPBGEF-JTQLQIEISA-N
-F9AF5319F1D263E3_C7E5E1B4A6559B52_6029_UN,OC1(CN(C1)[S](C2=CC3=C(N=C2)[NH]N=N3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,BRJAMNMMGFXZAT-UHFFFAOYSA-N
-FADF463BF342FB87_C171AA5CBCB86638_6027_UN,COC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,VNXHTMWBRNHYFG-UHFFFAOYSA-N
-FC3757345EE3FB06_3DD089CD8E55E5B4_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=CC=C2OC(F)(F)F,GTTVKCWBXMDFOT-UHFFFAOYSA-N
-FD12894B4A63E6DC_8197A7A3680AA464_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(N(C)C3=NN=CC=C3)CC4)Cl,HIFYDBYKSSAWLB-UHFFFAOYSA-N
-FD1B19234395821F_6828A2838D3F3EB7_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=CC(=C2OC)OC)F,FZFHNCKOBUYFAK-UHFFFAOYSA-N
-FFD8912882F0EEDF_FC0C4CE4564A61B7_6041_UN,C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,COSCWZSTDMFMAL-UHFFFAOYSA-N
-050EBE53B8D7E5DF_4B94B68D3B076BB8_6029_UN,N(C1(CCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,WIDHUXHNWGCFOJ-UHFFFAOYSA-N
-0550279EA60C8F11_5A537449BD6F9B17_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,JVMNLKKMWSKNAR-UHFFFAOYSA-N
-0586E6D1B4AAC211_B47C3137F1D526B5_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3)C)Br,PJZWCRJAPBYTJO-UHFFFAOYSA-N
-08622110C2AEDF13_94CF65274A5D2391_6029_UN,CN5CCC1=C(C4=C([N]1[S](C2=CN=C(N=C2)C3=NC=CC=N3)(=O)=O)C=CC(=C4)Cl)C5,LMIPTKAWTAWORG-UHFFFAOYSA-N
-08B71F4896816554_2B8DFC5B36425067_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,IDOPQKDSMPXEIZ-UHFFFAOYSA-N
-090241CC75D1B9D9_6795474756DC7185_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,TXIGSIKQRWIAKQ-UHFFFAOYSA-N
-0991DD81929DF9AC_DCD544CA2E8DAB5A_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC(C)C3=CC=C(C=C3)[N]4C=NC=N4,KBQHZLFIQWVJAV-UHFFFAOYSA-N
-0A3AE1503ABA0691_7E17452D3963702C_6038_UN,N(C1=CC(=C(C=C1)F)C[S](=O)(=O)F)C(=O)C3=CN2C(=NCC2)C=C3,GZOFXTHSMXIKLS-UHFFFAOYSA-N
-0B6DF3C59E9A84BF_55A14AA5E3F0CB12_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3)C)Br,NYWRMANHUJPUDW-UHFFFAOYSA-N
-0BDC8B69F2DB984E_8120CB91709DD577_6026_UN,CC1=C(C(=C(C=C1Br)Br)C)[S](=O)(=O)N3CCN(C2=C(C#N)C=CC=N2)CC3,QMCSJHDIIJYORJ-UHFFFAOYSA-N
-0C196E7F4A09EC99_6696839DB945F370_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC(=C(F)C=C3)F)CCC4,YQJAMYWFEQPMLB-UHFFFAOYSA-N
-0CB5696A42F4A63A_CDDB38F58F46D482_6035_UN,C[C@@H](OC1=CC2=C(C=C1)C(=O)CC2)C3=N[N](N=C3)C4=CC=CC=C4,LOHSSIMRMXPNRP-CYBMUJFWSA-N
-0DDD57BFFA8E637D_0247F6B0E770935F_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C(F)F)(=O)=O)C3=CN=CC=C3,RUGSLAAIMOBNGR-UHFFFAOYSA-N
-10AAE4056249388F_1C5E3F6B90D31700_6026_UN,FC1=C(C=C(C=N1)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3)Cl,LKLXEAYVFGSDMR-UHFFFAOYSA-N
-13BD5316FE1163DB_9F160801EA36883A_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(C(O)CO2)C=C3)(=O)=O)C4=CC=CC=C4,SXLDNSFOMLOVHU-UHFFFAOYSA-N
-1433D4B96D107EC4_1CB3CB7CCDF8D2BC_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C=CC(=C2OC)OC)F,OHEYXJUAWRGAAG-UHFFFAOYSA-N
-160884F3F621B278_04DDC0A4E328F0CC_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4)I,LKMOUDXICLFNIS-UHFFFAOYSA-N
-16E4C931AE17EBC2_64F4AAC677C5B090_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=CN=CC=C3,WAHKGQBOMRGDIG-UHFFFAOYSA-N
-179F79F142FD83C1_2D95E131E826BADB_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C)C=C(C=C3)Br)CCC4,RZZJELNFDVWOMJ-UHFFFAOYSA-N
-18B5A145C4047F2E_FE5FC0FC367D2111_6038_UN,CC(C)COC1=NC=C(C=C1)OC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,QKKXBLZTRKXLSV-UHFFFAOYSA-N
-1984FCB50D1ACB48_D4807D41D2EB656C_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(Cl)C=C2)(=O)=O)C3=CC=CC=C3,PVRCRIVHLGTCHZ-UHFFFAOYSA-N
-19D668D532799139_AED549881AF8C006_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCC3)C4=CC=NC=C4,GIYXQNQDCXJVGJ-UHFFFAOYSA-N
-19ED36B63FFED10B_5A82C0A9619D2DAC_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)N5CCCC5,XVMWSNDMVRUZPO-UHFFFAOYSA-N
-1A4FC289BBB1C30E_FE0584A97E17F08A_6041_UN,C[N]1C=C(C(=N1)C(=O)O)NC2=C(C=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4,AWCHTJVOIUMWRV-UHFFFAOYSA-N
-1AB1FDDF713DAE6E_B2015DE295E93638_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)OC3=CC=CC=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,ZVBDWIAABIORBD-UHFFFAOYSA-N
-1CD2FB0DC2D10F15_B4F1C2DC71E2320E_6026_UN,CC4=NC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(OC2=CC=C(C)C=C2)CC3)S4,UOTKIKDDVPFFJA-UHFFFAOYSA-N
-1D4E72CA8E2EACAD_7ECEC60DD41F30FE_6006_UN,O=[N](=O)C1=C(C=CC(=C1)C2=CN=C(C(C)(C)C)C=C2)N3CCNCC3,QYBLDNZSCKQWGE-UHFFFAOYSA-N
-1EE90E2C59E9A11D_E865C43B94091756_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](N(C)C)(=O)=O)C=CC=C4,ISCKMTBMWWRCKM-UHFFFAOYSA-N
-1F995731B0436F78_8D22C1A0E57A8641_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C,UJWWPJWCETXPCE-UHFFFAOYSA-N
-1F995731B0436F78_AAFCE3406143142C_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C,UJWWPJWCETXPCE-UHFFFAOYSA-N
-1FA0CDEE8A28A4BF_3B072934E8E7353B_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CC=CC=C3,DYZJXEJOJBFJEH-UHFFFAOYSA-N
-1FAD5EA205F43C7D_5C2F6D6245D8838B_7013_UN,N2=C(C(C)C1=CC=C(C=C1)[S](=O)(=O)C)[N](C3=C2C=CC=C3)C4CCCCC4,QYPUGGGKAGSVJR-UHFFFAOYSA-N
-20243A5895F97B07_6DA4A7BDEF2B43C1_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4)F,NDGKLDAEHCZKAD-UHFFFAOYSA-N
-2102F44B7FE54158_D67A628005FA6CF5_6038_UN,CN(C)CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,IVJVLKJWTVUYED-UHFFFAOYSA-N
-21ACA73C4B6D9CDD_DDE0D1407E41ACA8_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=CC(=C2)OC)[N](=O)=O)C=C3,RUBYJEPUGUWBKI-UHFFFAOYSA-N
-2253961A93991264_69BB9BE875ACB3AC_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,LYQCFFPUJJSIIZ-UHFFFAOYSA-N
-2267B47604835368_080F06CA273769C7_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)F)[S](C)(=O)=O,JQVDTXPIIGWBON-UHFFFAOYSA-N
-22A0A1A7ED81153E_CFE321856F7338C4_6038_UN,CC(C)C(=O)N1CC(F)(CNC(C=C[P](CC)(=O)O)=O)C1,VEGWRUXUGNJAOM-UHFFFAOYSA-N
-269A6D652E36DD98_82E0D5B39F3A8F39_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4)Cl,PEFWMFIITTWIBY-UHFFFAOYSA-N
-270118518C7D627B_EFEB05E8474709DD_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(C(C)C4)C5=NC=CN=C5,CTWUOCVXCAECCT-UHFFFAOYSA-N
-27086597D662E48E_AB0D7195AD3A7885_6029_UN,N(C1(CCC1)C2=CN=C(C=C2)Cl)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,ZDMNXBWWFQBKAJ-UHFFFAOYSA-N
-275043A17D94CD6D_3FDE8DF104CAC21D_6026_UN,CC(C)C[N]1C=C(C=N1)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3,DMGKAMJWRRTKDR-UHFFFAOYSA-N
-28BAE0D40907C209_E3783887AC1597DC_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCC2=CC=NC(=N2)N3CCN(C)CC3,QNDYYCYVOFHINQ-UHFFFAOYSA-N
-296B853386BE32E0_F06449C877A4AD88_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)N4CCCC4,LCPIKIZMPKMNPG-UHFFFAOYSA-N
-297D21A2BC9382F4_D6A276AFEBD0D62F_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4)C,OFTTTZRWVFPODT-UHFFFAOYSA-N
-2A116F0B4B2651F9_4FAACC79F941B415_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,JHTPSHYUFVBSKR-UHFFFAOYSA-N
-2A116F0B4B2651F9_9E96C0FC32CA7E6D_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,JHTPSHYUFVBSKR-UHFFFAOYSA-N
-2A8950EA8439CF55_51FCD6F27D1726B3_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,DXGPOQXAPRQSCR-UHFFFAOYSA-N
-2B533372EFA8499B_EC07390DD73B36D8_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCCC3)C4=CN=CC=C4,LVUHQWHAWUZOMQ-UHFFFAOYSA-N
-2BBB688FA603FD98_614689295EE9F46F_7019_UN,OC(=O)C1=CC(=C(C=C1)Cl)C=CC2=C([N](N=N2)C3=CC=CC=C3)C4CC4,NDNKBJRIRIULJP-UHFFFAOYSA-N
-2CC6A244F09E26D0_2A4FAB05E548A73D_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4)F,VSDNRGGORWWFCS-UHFFFAOYSA-N
-2DCF4A30DCAF7A65_C7E80D272F3E8B88_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCC2)N3CCC(CC3)C4=C5C(=NC=C4)C=CC=C5,PVOHUTNIQOJKPX-UHFFFAOYSA-N
-2F206BCB6E47906A_7FA75B9E9ACCFA1D_6035_UN,O(C(C1=CCCC1)C(F)(F)F)C2=C(C[S](C)(=O)=O)C=CC=C2,FIQJAGBSCJRWLZ-UHFFFAOYSA-N
-2FC2D148BD112394_C80BC49A6EA0E0A9_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,JOCFQUPIQYGASO-UHFFFAOYSA-N
-2FD1EAA6CE6C378E_E4D4D66D763B6E56_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4)C,HLEMPAXXNBQNRM-UHFFFAOYSA-N
-302517F31C13264A_6B5D9EE304223CD7_6026_UN,CC(C)[N]1C=C(C=N1)[S](=O)(=O)N3CCC(C2=C(F)C(=CC=C2)Cl)CC3,YNWOPXRQLCERSR-UHFFFAOYSA-N
-3190D3B196B03B4C_9219E4874940822E_6038_UN,CC(NC(CN(CCCCCC)C)=O)C1=CC=N[N]1C,BJQCDKWIKFROKI-UHFFFAOYSA-N
-3333545148D12CE7_55B5A861388EF8D6_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3)C)Br,KELVWLKPZQGGKL-UHFFFAOYSA-N
-3854739DFAB972C7_763F4CB89E7FC8DE_6029_UN,N(CC1=C(C(=CC=C1)F)Cl)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,ASYDOJBRQXHJJH-UHFFFAOYSA-N
-38E3B761569C208A_66B532A47CB4C62E_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C)C(=CC=C3)Br)CCC4,YLQOMDIBDHRDLY-UHFFFAOYSA-N
-3940E601C4CE9F65_BE7ED7C0EFFE5B91_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C3CCC3)C4=CC=NC=C4,CGVJHIGNTMGCOE-UHFFFAOYSA-N
-39A7D534693BEC47_7551CB2EF1411F21_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4([S](N(C)C)(=O)=O)CC4,KHBKWUQNQJYLDR-UHFFFAOYSA-N
-39B14062919682EB_D88DCC40CB8FEB07_6029_UN,OC1CN(C1)C2CN(C2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O,MMLFECPSEKRDMZ-UHFFFAOYSA-N
-39FEB8653EA5B588_AE80765D5057CBFB_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC(C)C3=CC=C(C=C3)[N]4C=CN=N4,GCGRDKNWAHIMFJ-UHFFFAOYSA-N
-3A1D5A58C1914B98_3BB5B9C15A67A5D3_6029_UN,CC1=CC2=C(C=C1)CCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,ULODMMFJEIHJPN-UHFFFAOYSA-N
-3A374962A70B1220_A257A90D42DC0CE4_2267_UN,O=[S]1(CC(CC1)NCC#CC2=C(C(F)F)C=CC=C2)=O,LKMCQJOAPSFOMK-UHFFFAOYSA-N
-3ABB7A0570CDB257_B95790B7D8BBD29E_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N[C@H](C3CCC3)C4=CN=CC=C4,CCKOQBDTXAWEEN-LJQANCHMSA-N
-3AF47D4BEDBD9ABB_A0AA66541A798B5A_6038_UN,CN(C)CCC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,BUKKYPCELLMRAT-UHFFFAOYSA-N
-3CD6C0AC88766430_F764902965B40820_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=NC=C(O)C=C3,AYHIMLLWYOOTKB-UHFFFAOYSA-N
-3CF10DF8082B8A33_48EB758458954B1C_6029_DP,N1CCC(CC1)C(CN[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,OCTJUKUIVRJDNF-UHFFFAOYSA-N
-3D9F7701AF71625B_A15C87D2423BDD71_6038_UN,C[N]1N=C(C(=C1)NC(C2(C(N(C)C)=O)CC2)=O)C3=CC=N[N]3C,BPNJZZISNHAEPG-UHFFFAOYSA-N
-3DC748116C2BAF25_E15EB36FACFB3861_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C)C=C3)Cl)(=O)=O,KOUYUSJLHKBWEM-UHFFFAOYSA-N
-3E56FC1F7688C7D3_12B91E6F96183A11_6026_UN,CC(C)[N]1C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC(=C(Cl)C=C2)Cl)CC3,KLTMIGPPRWBPKR-UHFFFAOYSA-N
-3E88D8F261A6A060_554E80BB9F6A412C_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C4=NC3=C(C=CC=C3)S4,UXLCSODFWQNENJ-UHFFFAOYSA-N
-3F364D8E1194A4E7_76CE2FB9A0AB848C_6035_DP,N2CCC(COC1=C(C[S](C)(=O)=O)C=CC=C1)(C2)C(F)(F)F,KLZLUXSZEHOSAB-UHFFFAOYSA-N
-414A3726DD20B481_D4825E93BF87F177_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C=C2C)[N](=O)=O)C=C3,OZXXEIOWZOFPBK-UHFFFAOYSA-N
-419EBF4E94175604_3EFE804ED2A9FB45_6029_UN,FC1=C2C(=CC=C1)OCCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,YTFJOMNQLGSTMI-UHFFFAOYSA-N
-43568D0E40D382F9_F5451B159E2C95AA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C[N](C[Si](C)(C)C)N=C3,QPHOPJXQYCNFPX-UHFFFAOYSA-N
-454D5517376D54C3_8F2EACCF6CA8B58D_6038_UN,N(CC1=CC=C(C=C1)C2=NN=CN=N2)C(C(NO)CC3=CC=CC=C3)=O,SSJWGEUKLQDQPI-UHFFFAOYSA-N
-4553FCC23C3AA270_7EC117B8D9935261_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=CN=C(C2CCNCC2)N=C3)=O,ZOCMIOGQWRYCII-UHFFFAOYSA-N
-46381B550EECD988_0CC11B750FD5E94C_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC(C)C3=CC=C(C=C3)C4=N[NH]N=N4,JGNQJXVLFKTKDO-UHFFFAOYSA-N
-46381B550EECD988_DD13D7A468F704F3_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC(C)C3=CC=C(C=C3)C4=N[NH]N=N4,JGNQJXVLFKTKDO-UHFFFAOYSA-N
-4645B4B4884B72C7_039A65ECB0E8F87E_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=CC=CC=C3,BSDCHOKFCJSRSN-UHFFFAOYSA-N
-465F3645C6F8CF44_64848EB521B6C382_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3C(C2=C(C)C(=CC=C2)Br)CCC3)[N]4C=NN=N4,LJWUYVNVPIDRBM-UHFFFAOYSA-N
-46BFB6F783D418AE_FA59AA736DA1DE38_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N2CCN(C)CC2)C=CC(=C3)F)[NH]4,YJCZTFGRDFXPSO-UHFFFAOYSA-N
-4749979E2DFB3DC1_2012FD5AE1553715_6038_UN,CC(C)(C)C1=NOC(CNC(C=C[P](OCC)(=O)CC)=O)C1,BOSNDJKJVCTTPB-UHFFFAOYSA-N
-483D6A06D1269E47_66E976F3AA377612_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=NC=C(O)C=C3,AQUKUWCVHJCQFK-UHFFFAOYSA-N
-48D213AFE75232A3_551D4CA164AF189C_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=C(Cl)C=C3)Cl)CCC4,ZGVGXHKSELHBES-UHFFFAOYSA-N
-497D0D17497B0F7A_03804C07D33F7498_7015_UN,CC1CCN(CC1)C(CN[S](C2=CC=C(C)C=C2)(=O)=O)C3=CC=CC=C3,XYIAWGVEFLNVAS-UHFFFAOYSA-N
-4BB40C1A2D6810AB_DCCFA7CE988C082F_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4)Br,FWPNNBQBWJVFAW-UHFFFAOYSA-N
-4CAC96942968E0D0_EE8AD54C88BC282E_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(CC)C=C2)Cl)CC3)C,VWCFOYYCQOUIFQ-UHFFFAOYSA-N
-4CE01552AAF69508_282A2FEEFF86D416_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=CC(=C3C)C)CCCC4)Cl,OWLMHJNXCXOHSJ-UHFFFAOYSA-N
-4D65F0FC1C8D4EB8_5D8417D005C928B5_6028_UN,N(CC1=CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,FUDOMHNLCQGWII-UHFFFAOYSA-N
-5068A2EACD96725C_69E902A46F20315B_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4)F,JGDYCSOTUPBJBK-UHFFFAOYSA-N
-508692D090E31D7A_C3BBDE45C8AEF31E_6041_UN,O=[N](=O)C2=C1N=CC=C(C1=CC=C2)NCC(N3CCN(CC)CC3)=O,FNKCNPGULVLMGD-UHFFFAOYSA-N
-5111F7B422A55738_A7D21D5C521D4F4F_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,LWPKMVMUTQWMKQ-UHFFFAOYSA-N
-523C9DD003559F7B_324EF24E858F9CB4_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C)C=C(C=C3O)O,ZAWXBINMDACEFH-UHFFFAOYSA-N
-52EE305357980717_E15CD44AF5286A4B_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4)F,IOIAKFRYQISRKG-UHFFFAOYSA-N
-530985320484D6DE_8D84B94F62565712_6029_DP,N1CC(C1)C(N[S](C2=CC(=CC=C2)C3CC3)(=O)=O)C4=CC=C(C=C4)F,ROEMURNBAVFTAT-UHFFFAOYSA-N
-53381238CE1B9393_AF41CD9A8958E94F_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,OJVKKHAEMJYFET-UHFFFAOYSA-N
-5510BEAF0EDC434F_6910219C06F6C6FF_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C(F)F)C=C2)(=O)=O)C3=CC=CC=C3,SULSWENNMLPFKR-UHFFFAOYSA-N
-5543158958BE7331_36F4146E6AF9E9C5_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,QLMPLEKIXCGSBR-UHFFFAOYSA-N
-5569B9EBF33143D1_EE5131202AEB4566_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC(N2CCN(C)CC2)C3=CC=C(C=C3)F)[NH]4,OPAMXPMHWVRHSJ-UHFFFAOYSA-N
-571F680ED5DB41C8_D9FF8D4E3FBA0950_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)F)[S](N(C)C)(=O)=O,NDTZYRKBNGGBDR-UHFFFAOYSA-N
-57A2502B27C65CD8_7CF631A2DE541E8E_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Cl,ZILCQDGDNLCBCD-UHFFFAOYSA-N
-581EA80394944916_27A550865DAAEFCE_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C)C(=CC=C3)Br)CCC4,ZBBBSJUZQIGGMV-UHFFFAOYSA-N
-587068A98DACC6A4_67F1B025380C6111_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3)C)F,WLWFWWBAVHQNOQ-UHFFFAOYSA-N
-587426E84ED350E3_E7743399DCE755AF_6029_UN,C1C=C(CN1[S](C2=CC=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,ICJJXJHGBIXCHW-UHFFFAOYSA-N
-58B22E216775DB19_C5BB3D393D0FBEEF_6028_UN,CC2=C1CCN(C1=C(C=C2)Br)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,CZLYZJVWOHTAOH-UHFFFAOYSA-N
-5A9E2E6A9612FDB4_A5C09E43D136E7F4_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4)Br,KAWYKQLFLOBSOQ-UHFFFAOYSA-N
-5B5DC9BE090296D3_DD29AB0C8AA35592_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)F)CC3)C)Br,MOWQZBLKRGTQIJ-UHFFFAOYSA-N
-5B6FAF5BF85542C2_6DF40EA06E7A9791_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3CC3)C4=CN=CC=C4,KUFFBECICXJPQC-UHFFFAOYSA-N
-5CB04CFC4E1B05E5_66E06AA739F6E2A3_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)[N]2C=NN=N2)CCC(O)(C3)C4=CC(=CC=C4)Br,DLNXAMATJLTFJA-UHFFFAOYSA-N
-5F51F3FF4A3A8632_4EB6260926F7736A_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,VEWWQJSELHJGSC-UHFFFAOYSA-N
-5F6D9200714FE738_31109B3A4AFBA6A3_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCC3)CC4=C(C)C=CC(=C4)[S](=O)(=O)Cl,FJQRZSVWTVHMCD-UHFFFAOYSA-N
-5FAB5DFE7D045376_86863B5810E2FBA9_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C(C(C)(C)C)C=CN=C3)(=O)=O,TYQMBMUYXATTSJ-UHFFFAOYSA-N
-62031F502AE8CD24_6D62FB0F1EBA8ECB_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O,WHQHLJIGFRDPFZ-UHFFFAOYSA-N
-622CD35FBA0633FB_4C8C6661601FD04E_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)O,GRXPNSSYVKOHPW-UHFFFAOYSA-N
-675570FB6330CF36_1BCFD09668DBF79E_6003_UN,CC3=CN1C(=NCC(C1)OC2=C(C=CC=C2OC)[N](=O)=O)C=C3,CJYHAJXJXFLALQ-UHFFFAOYSA-N
-67ABA0F38EFF6205_C83E3BA73B11E493_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4)Br,NGHREZKUOQLJJB-UHFFFAOYSA-N
-68F7869D38B48180_FE7C393D5F13CBA8_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CN=CC=C3,FNJOOCZRZCAWJE-UHFFFAOYSA-N
-69ED73F9710A34A3_64C19856D633B3B5_6038_UN,C[C@@H](CNC(CCC1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,AIKXTJMYFVBXJQ-JTQLQIEISA-N
-6AEB2453FDAC6424_B2A38A8E71188964_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,IMKAGVCSMAVHJD-UHFFFAOYSA-N
-6B5C7C91D09A05D3_B030084CEF062C18_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(C)(C)NC4CC4,DYQDSPFWPUBTLD-UHFFFAOYSA-N
-6BB7D12E7D87E1AA_096C5FBC428628B3_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C([S](C)(=O)=O)C=CC=C4,JKYYEVOILAZBOM-UHFFFAOYSA-N
-6D4288B5D821E775_110BF99F78621452_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)(=O)=O)CCC4,SBWXXFFFKAHOEY-UHFFFAOYSA-N
-6D505D1A2D80CBCA_BF69C15992FCEAF0_6029_UN,C1C=C(CN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=CC=CC=C4,BFOJMNXKYOCGJN-UHFFFAOYSA-N
-6EC25EB55D485784_D99210C0F1EDA9F3_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CO)C(=C(C=C3)Cl)F)(=O)=O,KRMGBKGOAXYZDH-UHFFFAOYSA-N
-6EF216DE0FFE288F_160CB7F7D6C7E313_6029_UN,CC1=CC2=C(C=C1)CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,NJXYZNGFNIGBKB-UHFFFAOYSA-N
-6F07744DF12CD0D2_4391D6B0CA1778FC_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3,FBFRGILDZUZUIS-UHFFFAOYSA-N
-71CDDB5A8BE20572_3357186E72EEFAED_6029_UN,CC1=CC2=C(C=C1)N(CCC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,POUXOBPBCXQLMY-UHFFFAOYSA-N
-7303C17EBB829B4C_C5FE65E61FC2B4DC_6029_UN,C1N(CCN(C1)C2=NC3=C(C=C2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,VTFAHKMEOGCMDN-UHFFFAOYSA-N
-745C4917D47D3413_CB0AFD9E18FC45C8_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CC)C=CN=C3Cl)(=O)=O,HXGKXCYUYFUOKR-UHFFFAOYSA-N
-76464B2CD1FF5C08_0127092DEE706159_6026_UN,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N3CCC(CC3)C5=NC4=C(C=CC=C4)S5,DRPTZHKGCCJVBO-UHFFFAOYSA-N
-77553B68476951A9_34D7AD74E2337772_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C)C(=CC=C2)Cl)CC3)C,BYSRYMZBYYOPAS-UHFFFAOYSA-N
-7C044B6F70535735_95E9298A458D7E02_6038_UN,O(CC#CC1=C(C(=CC=C1)F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FBLIMDZTKJNJRL-UHFFFAOYSA-N
-7C7119A8E04B364E_33383A4F9BBFAA3E_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(CC)C=CN=C3Cl)(=O)=O,IJCYKQGFFGKJGX-UHFFFAOYSA-N
-7D46F8791613DFE8_2B1E15BE0AA4E267_6029_UN,OC1=C2C(=CC=C1)CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,JRIVUCJMHGLKSD-UHFFFAOYSA-N
-7DC32F29A04C59AC_AAB0118D88F08DA5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)N4C(OCCC4)=O,WISVMGGRSISTOK-UHFFFAOYSA-N
-7DD8A4F8C821335C_935F0FE479E06447_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3C2=C(C=C(OC(C)C)C=C2)CCC3)Cl,FJNMQYFBZQAOCQ-UHFFFAOYSA-N
-7E6D1468A63F5F2B_B78A223DE29F6894_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC(=C(C=C4[N](=O)=O)Cl)OC,SWBFXMZELBYYOD-UHFFFAOYSA-N
-807E7ADD24A5012E_A1CB28827C39680E_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(C4)OC5=CN=CC=C5,MSGOEPIAXYOKPG-UHFFFAOYSA-N
-80B0A66C11AB37BC_5DB3D26114376A2F_6038_DP,C[N]1N=CN=C1C2=CC=C(C=C2)OC(C=C3CNC3)=O,YJFCPNSLSACWFZ-UHFFFAOYSA-N
-81B4F4C75510FB48_CC114F48855EDD07_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)F)[S](N(C)C)(=O)=O,NMDTVASQKAQEEH-UHFFFAOYSA-N
-82F0CBAE9CC9781F_03666058D6773B9D_6026_UN,CC(C)[N]1C=C(C=N1)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3,DATLAJJASORPCJ-UHFFFAOYSA-N
-84035B086924EBBF_DB3BF6FFB9527BB8_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3CCOCC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,JNRVJENIIIBKEQ-UHFFFAOYSA-N
-85F49ABD4CE79B85_624DA583C6990B47_6029_UN,CN5CCC1=C(C4=C([N]1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C=CC(=C4)Cl)C5,AUPQRYHINSGJSB-UHFFFAOYSA-N
-87907D19F7F525EE_7A35B222D1D48563_6041_UN,C1(=NC=C(C=C1)C2(CC2)C#N)NC3=CC=CC4=C3OC(C)(C)CC4=O,KUWTXYVXWQFUCE-UHFFFAOYSA-N
-887AAEC94744220E_69A78FF3E0DAA7F3_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3)Br,UEXKISOFXCUEJY-UHFFFAOYSA-N
-8948F229A63445F0_C32ABC1424937244_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=CC=C(C=C3)[S](=O)(=O)C4CCCC4,JYRAOBLYMZJXKJ-UHFFFAOYSA-N
-8AEB0809481A2836_EEA9A064FB6CAA62_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C4=C[N]3C(=NN=C3C=C4)C5CC5)=O,GHGTXFULXJCXQM-UHFFFAOYSA-N
-8B101AC53A331D71_FC416F0CA3A6004F_6038_UN,CC(C)OC1=C(C=CC=N1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,COMCQALDYAJPPL-UHFFFAOYSA-N
-8C13D67E5F426A3A_FCD983BC7589F2F2_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C=CC(=C3)C)Cl)CCC4,UXGPFHGMDHKYSC-UHFFFAOYSA-N
-8D22081AAC238C9F_C3D50EDEEF3C4F4B_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C(=CC=C3)Cl)CC4,XGLNXEVFAIKVIQ-UHFFFAOYSA-N
-8E6573E22B5B711C_A40C9246334E4D67_6029_DP,C1C(CN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,ZYCSKIYPQYJYKH-UHFFFAOYSA-N
-8FEA54335B041D98_75E786E851B7FF97_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)CN4CCOC4=O,OPPYUPJGBGQOAC-UHFFFAOYSA-N
-9147374C022AF87D_11811DA25EC8AFC1_6029_UN,C1=C[N](C(=C1)C2=CC=CC=C2)[S](C5=CC=C(C3=C(C)N=C(N=C3)C4CC4)C=C5)(=O)=O,XLVHFSBCRZHFHK-UHFFFAOYSA-N
-9199E306CF7CC860_99A0017106A29A49_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,BFACPHXLEWWUBO-UHFFFAOYSA-N
-91D11497B720FA50_45F7C5E907655C4A_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,XCFVVRVWYXUOTI-ZDUSSCGKSA-N
-93CAE63BA44A49F7_A330F547A53DF7BC_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CC3,PVFXBZXQTLHZNP-UHFFFAOYSA-N
-969FA5B7C7703592_80DDACF96287A701_6026_UN,CC(C)C[N]1C=C(C=N1)[S](=O)(=O)N3C(C2=C(C=CC(=C2)C)Cl)CCC3,ZKGUDFVCKAOUHC-UHFFFAOYSA-N
-9704F718799ED94B_52265241BD6C25DA_6038_UN,CN(C)CCC1=CC=C(C=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VKDONHADCIBNFJ-UHFFFAOYSA-N
-97186575B0700606_A136EB6A09C45FEE_6029_UN,N(CC1=C(C(=CC=C1)Cl)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,UFARALZFPUQDDQ-UHFFFAOYSA-N
-97BCA4FF8E39F8DA_8CF1E163246F07BF_6038_UN,CN(C)CCN(C)CCCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,ZEOMOABKUNOMLE-UHFFFAOYSA-N
-98323C6016ADBC21_2B20236C62D36145_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3C2=C(C=C(OC(C)C)C=C2)CCC3)F,GNMYZJVYWAQYJZ-UHFFFAOYSA-N
-9C12D47DE8343CC9_8D92C05335EAEB7E_6029_UN,CC1=CC=C(C=C1)C2=C[N](N=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,WAZPCSZFOXZPSV-UHFFFAOYSA-N
-9DDAA9A84205F9BD_7CDA6651E11DD3D1_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,YFLKFNALEHDIGV-UHFFFAOYSA-N
-A0216429339B9ABE_62068AA500B2A0AD_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,MOOGJMNVCMDGLX-UHFFFAOYSA-N
-A1C60C40AB7C4442_990CE4F38A135452_6026_UN,CC(C)C1=CC(=CC=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,FATWGVOBGLVQDJ-UHFFFAOYSA-N
-A2E45AA1E3723557_61FB4DDBDDFD6ADC_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4)Br,VLTKTONUTPPQHU-UHFFFAOYSA-N
-A2F309F427DFB01A_A9FA373EEA687CC4_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3C[Si](CN3)(C)C)=O,YWHGQURZOVQWPJ-UHFFFAOYSA-N
-A306C26B2766BC6F_0FCA257C7ED687D8_6029_UN,N([C@H]1[C@@H](C1)C2=CN=CC=C2)[S](C3=NC=C(C=C3)C4CC4)(=O)=O,IWCOTMGFCJOYBO-LSDHHAIUSA-N
-A3245299A4B8E84A_A26C19BF55C4988F_6028_DP,O[C@H]1CN(CC1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,XSSVUXQMBYJHKM-CYBMUJFWSA-N
-A3751B3A5FCBCBF9_3DF196F252F5268A_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CCC3,ITEMBWVECMXLPS-UHFFFAOYSA-N
-A3B44FD397F9FE71_914DC0DBA675ED96_7015_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,FXOLIIJVUJQPAX-UHFFFAOYSA-N
-A7623D360ABEF589_D4D6D87378D427F9_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,LAEHQGXVPLGWRF-UHFFFAOYSA-N
-A7AE163715ABFA84_D0DA59AB341C36AB_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,YLMCYGJVAQRTCM-UHFFFAOYSA-N
-A7BF06164E7D88FE_B01934F11080E904_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4)I,VLJWYPIGALYTBU-UHFFFAOYSA-N
-A86564D92ADCD5D7_D59AFC5F56E6B830_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CC3)C4=CN=CC=C4,XETUWEFFBPEKIC-UHFFFAOYSA-N
-A8C4816E70AF3D9B_70FFFB661FB7D328_6035_UN,CC(C)C1CCC(CC1)C(OC2=C(C)C=C(C=N2)[N](=O)=O)C3=CC=N[N]3C,PKXNBCUBXHHMQD-UHFFFAOYSA-N
-A9D06BA8F18B45B8_798AAAA9E7BEB236_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,BOOXZSOIDQJGAN-UHFFFAOYSA-N
-ABE5FC39AFE4D39C_D39C6603CEEF53E4_6035_UN,CC1=C(C=CC=C1)C2(CCNCC2)OC3=C([S](C)(=O)=O)C=CC=C3,HNUULGXWILZCCM-UHFFFAOYSA-N
-ACDE9962B94634CB_EB4B7D1CCE2F1657_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)C5CCCC5,YURNPVLSTNRCPS-UHFFFAOYSA-N
-AD0B7E4BFF788611_7CA7002532EDBF6F_7022_UN,C1(=C(C2=C(C=C1)OCO2)F)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,LUWWQVJTHBODON-UHFFFAOYSA-N
-ADA0869D151065D5_7A5446F9C5FE4239_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)Cl,SUFSUZFEIVILBV-UHFFFAOYSA-N
-AE853F1A36415D2A_E4554235D82FB2E1_6029_DP,N1CC(C1)C(N[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)C4=CC=C(C=C4)F,ZATSHSVAOXJPDT-UHFFFAOYSA-N
-AFFC36C0A95391C4_3507F66BD6A4D789_6028_UN,CC1(CCN(CC1)[S](C2=CC3=C(C=C2)OCCCO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,QSPKZVNBLWDDDL-UHFFFAOYSA-N
-B0BF5857B251EFC9_E488FCC9B6439A16_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,PQEIROSSGPYBDL-UHFFFAOYSA-N
-B16B825852FB42E2_1A24A10996FDBB77_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)C4CCCC4,ALZIZZXPRXLWSR-UHFFFAOYSA-N
-B1F111546E14F4DB_B212D7C967F85719_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3(CCC3)C4=CN=CC=C4,PPTMNDGVLNVMSK-UHFFFAOYSA-N
-B313965F6511B734_1D02E46F368BACAF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)C)[S](N(C)C)(=O)=O,CXXRTYFZPJVMTH-UHFFFAOYSA-N
-B33A7BA5B4309F9E_5956FF2F237C3485_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CC(CCC)CCC)=O,FWMPPLVJBNUBFE-UHFFFAOYSA-N
-B3B245EB6BF03B8C_89036CC99EC6ACE4_6026_UN,CSC1=C(C=CC=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,KQCBHKMQPFNBEV-UHFFFAOYSA-N
-B6CD5AA5E2A6B5F2_A7AAFCECA152376B_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C)C(=CC=C3)Br)CCC4,ONFPYLKIADFSSN-UHFFFAOYSA-N
-B73F8BCE8F18FF10_06615118037CBF16_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3([S](C)(=O)=O)CC3,ALOCTOXVZXAMEJ-UHFFFAOYSA-N
-B7D5AB8F5A1245CC_3B44C211DFAAC087_6038_UN,N(C2=CC1=NON=C1C=C2)C(C(NO)CC3=CC=CC=C3)=O,IFVCGCXACRPVGT-UHFFFAOYSA-N
-B81D58CF9E357404_FEB8C1F3BC1F7E56_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C([S](C)(=O)=O)C=CC=C4,WGHBIWAIORXWFG-UHFFFAOYSA-N
-B89EBD8CC552BAB8_664F98CA46C9DA6D_6029_DP,C1CN(CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C5C4=C(C=CC=C4)C6=C5C=CC=C6,FXWRLUNXJASRJZ-UHFFFAOYSA-N
-B8B12475142C4E6F_BCE583836B611223_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCCC4,CJUBBRXHJLIEJQ-UHFFFAOYSA-N
-B8D0DF2903D93880_43CE9F42C8357528_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3=CC(=C([S](C)=O)C=C3)F,DSEPINLCEMHZHI-UHFFFAOYSA-N
-B8EB9716BCEF745E_149CFE497A746CC4_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3C(=CC=C3C)C)CC4)Cl,KLKSDNOZFGAGLO-UHFFFAOYSA-N
-BCEC749E67B5A8E2_A0A394C16CF5D585_6038_UN,CC1=CC=C(C=C1)OC(C2=C(C)N=C(N=C2)C3CC3)=O,VGABKJPYNNRNIZ-UHFFFAOYSA-N
-BD2AE936868C8564_4079AB5DB0ABBAE4_6029_UN,CC1=CC2=C(C=C1)N(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CVDDJQSMXKCYAZ-UHFFFAOYSA-N
-BE31E81F620F5602_229F8857DF21F164_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4)I,XESDRGWOVPWDPZ-UHFFFAOYSA-N
-BECBCD9111C7CB96_686113A0FCCAA85B_6029_UN,N(C1(CC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,GTAHVCZSBHVGIJ-UHFFFAOYSA-N
-BF02E9371938F222_7A1787F7F37B8CC9_6029_UN,CC1CC1C2CC2N[S](C3=CC=C(C=C3)C4=CN=NC=C4)(=O)=O,VBHMEBGJCGIUQC-UHFFFAOYSA-N
-C00ACC0653662D95_A32354017667C6F2_7019_UN,C(C2=CC1=C(C=CC=C1)OC2=O)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,UGDJRYSRILOAEF-UHFFFAOYSA-N
-C0D2983EF2CBF6E3_3D1CEE44B7CE5AC2_6029_UN,CC1CN(CCN1[S](C2=C(C=CC(=N2)C)Cl)(=O)=O)C3=NC(=CC=C3)C,QRLBJWJJPABCLN-UHFFFAOYSA-N
-C4AA3C8AC48C6915_211476DEB6FC3C7D_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OC,IUURVWMBNPJFQV-UHFFFAOYSA-N
-C4D9EFBFE07E77C4_5F2265F0EF85EBAE_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,BGDZTWSHELPSQU-UHFFFAOYSA-N
-C706F339B605D8B4_422493623D4FEB15_6029_UN,OC(C1=C[N](N=C1)[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,YYAGEYOTUGEFQK-UHFFFAOYSA-N
-C7C4EEE144C631FE_B7C6707AEA918091_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C5=C3C=CC=C4CCC(=C34)C=C5)(=O)=O)C,VWQDTRJDSDIIHS-UHFFFAOYSA-N
-C8214ECE750E16D8_4353D764DBC2475E_6028_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2)C)(=O)=O)C4=NC3=C(C=CC=C3)S4,GLXQHFWQTKIXQV-UHFFFAOYSA-N
-C828120829DF4D9A_4BA0E912496D289B_6026_UN,CSC1=CC=C(C=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,WKTGIMMLSXEJMC-UHFFFAOYSA-N
-CA93F676A6CFFB93_D5F34FD1B2E2968C_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,MYWZAUIDUYBKPA-UHFFFAOYSA-N
-CB0CE8C55058EE01_71BC11C61F35BB42_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,DFTJSIKAYNEIJE-UHFFFAOYSA-N
-CF06D5AFD682EAB3_2B39AED8B6A9B54F_6026_UN,CSC1=CC(=CC=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,DUMSVVFZIFEVDY-UHFFFAOYSA-N
-D01572F69DEEF43D_39DF81DD4D4AB712_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCCCCC3)CC4=CC=C(C=C4)[S](=O)(=O)CC#C,DMTZUYGEBNAYMP-UHFFFAOYSA-N
-D0F46394D541CFC5_596711908BC041A4_6038_UN,CCOC1=C(N=C(C=C1)C)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,RTYCXGIJVVFAGO-UHFFFAOYSA-N
-D143DB13C9F0D666_DDF0D25DD67D63CB_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=CC(=CC(=C4)[C@H](C)O)F)(=O)=O,IXGGEXBTSCFODV-HNNXBMFYSA-N
-D317082F600CC742_2518E8594C9A3792_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC(C)C3=CC(=CC=C3)[N]4C=NC=N4,OOCZPCQYWWNCRS-UHFFFAOYSA-N
-D33A11E11B3CDF15_B3525165A24C3E20_6038_DP,C[N]1N=CN=C1C2=CC(=CC=C2)OC(C=C3CNC3)=O,NABIYRBNRQGHEU-UHFFFAOYSA-N
-D50763ADCE38F4D9_5234F872674A3BE9_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=CC=C3)[S](=O)(=O)N4CCCC4)F,IMIMKSPXJGKHQS-UHFFFAOYSA-N
-D56E15D9A3D8BCAA_0CA1E2CE5C8D9320_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Cl)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,VDJRLBOTIJOTRY-CZUORRHYSA-N
-D94C8EDEE2506630_F342CF0C56336EB7_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4)Cl,BPZCQGNMJYVGMZ-UHFFFAOYSA-N
-D9CFE0526E19DADE_82602143D9C7A800_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C(=CC=C3)Cl)CC4,RWGHORXWLDRLLN-UHFFFAOYSA-N
-DC74C2F6DC42B6E3_8489FB4BCE4668D2_6029_UN,CN5CCC1=C(C4=C([N]1[S](C2=CC=C(C=C2)C3CC3)(=O)=O)C=CC(=C4)Cl)C5,LBEJHUIVFCHDIB-UHFFFAOYSA-N
-DD9A2E75773A2BF5_7A791E33298D4517_6035_UN,CC(OC1=CC2=C(C=C1)C(=O)OC2)C3=CC(=CC=C3)[N]4C=NN=N4,ZUEBXFORQMKUMS-UHFFFAOYSA-N
-DE4119F34289B46A_96C78EE21993DE2A_6038_UN,C[C@H](NC(CCCC(N(C)C)=O)=O)CC1=CC=N[N]1C,HXKNAASWAKDXGG-NSHDSACASA-N
-E1F63ECC2402EA80_71A61A27E79D6294_6038_UN,N(C1=CN=C(C=C1)[N]2C=NN=C2)C(C(NO)CC3=CC=CC=C3)=O,FEWKXIVFUVJYRU-UHFFFAOYSA-N
-E21D289544ADAA26_9CCB55ACC6411988_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCC3)C4=CN=CC=C4,IFJGXHYZNNOANF-UHFFFAOYSA-N
-E2A121EC4BD36362_5F056E25C46E52BB_6029_UN,N(CC1=C(C(=CC=C1)F)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,SXQFNUBBVIEMQJ-UHFFFAOYSA-N
-E7CF983166275DA2_60ECD9C10D3FF5A1_7017_UN,N3([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CCC(O)(C3)C4=CC(=CC=C4)Br,MQAWOXLSMMMBIR-UHFFFAOYSA-N
-E9EFCB1FB9CB2278_800CCBEDBB418E97_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3(CCC3)C4=CC=NC=C4,UZOMLUKMTGCTJV-UHFFFAOYSA-N
-EC101BF310F2B71D_90A755A54E471500_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3CCC3)C4=CC=NC=C4,IVJCYZIUHSUHSW-UHFFFAOYSA-N
-EC4FA66A83517267_B90C2835B16034C0_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,WTIMQWAAZQBXAE-UHFFFAOYSA-N
-F115A18647DBB986_4EA89BA3D0444647_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCCN(C2)C3=NC=CC=N3,WEAPTZJYKQXMID-UHFFFAOYSA-N
-F127B6CB49B32B76_909DDDC21F3795ED_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C[N]2C)CC3)Cl,RVGUHRBCBIAJQT-UHFFFAOYSA-N
-F1783F230983D8FF_7BE4832F5BA8930F_6026_UN,FC(F)C1=CC=C(O1)[S](=O)(=O)NCC2CC(C(C)C)C2,QGLBEQMGSJAZCH-UHFFFAOYSA-N
-F18F3F76CBCBA26A_28263CFFA4EDFC74_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)CCl,LYJGEMGWJKHKJT-UHFFFAOYSA-N
-F1C56E8D1ED027B2_2B9524A0F9551D96_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4([S](C)(=O)=O)CCC4,FSOJIDJYVVGUIZ-UHFFFAOYSA-N
-F3E45620322A3A63_C615399E34F3BA94_6035_DP,N2CCC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(C2)C(F)(F)F,MEXBGBVZXPXDEM-UHFFFAOYSA-N
-F682F1B9C15D8E91_8458ADF179E2E181_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CN=C3)CC4)Cl,JWNGLJCFZVLSCG-UHFFFAOYSA-N
-F68B9CDE31A20982_933921CCEDD360F4_6038_UN,CC1=C[N](N=C1)C2=CC=C(C=C2)OC(C3=N[N](C)C(=C3)C4CC4)=O,XSFYRLGYWDYKGH-UHFFFAOYSA-N
-FA08D0BF0510D6E4_E6F07DA1C487AB3E_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Cl)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,NRPVSJUMUPLQAS-MLGOLLRUSA-N
-FC503ADF984CAEF4_546C3A434D4C9E11_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,JRXGHAAYVPLVNK-UHFFFAOYSA-N
-FCE6646B183E6043_764FD0873B36207C_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,PJJNQURLPFVING-UHFFFAOYSA-N
-FE4692786C673A8B_91BDD4A1AB20BBB3_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=NC=C(C(F)F)C=C4)(=O)=O,SXRFIMLQXBPXME-UHFFFAOYSA-N
-FE6CD014EB032DF6_A2DC0334865090B7_6027_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(CC)C=CC=C3)(=O)=O)C,PDQDXGMZRKBMSM-UHFFFAOYSA-N
-00D8F73FF2BEE523_1F459AE5EBC6D70B_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N(C)C4CC4)(=O)=O)C=C5,HZLDROWUNBZAGG-UHFFFAOYSA-N
-0120911543B16EB7_78BEA341F02920C3_6038_UN,CC(NC(C2C(C1=CC(=C(OC)C=C1)OC)N(C(CC2)=O)C3=CC=C(C=C3)C)=O)C4=N[NH]N=N4,ONWOFNYIQMMFFR-UHFFFAOYSA-N
-01F7E713E956E37D_0D6C74EEF3E49AF7_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=CN=C(C=C2)N3CCCC3,MYQVFDVDUUWRMD-UHFFFAOYSA-N
-02155CB0542A27F6_E02D5DD2A481E2A7_6038_UN,O(C1=CN=C(C=C1)[S](=O)(=O)F)C(C2=CC(=NC=C2)N3CCN(C)CC3)=O,YUSGDTCDYCGAND-UHFFFAOYSA-N
-030B8B1537FC2BBA_3133CEBD3B88794E_6004_UN,C1(=CSC=C1C2CCC2=O)C3=CC=CC(=C3)C(C)(C)C,LAAONNXNUWUZHG-UHFFFAOYSA-N
-034A381EB231C6F4_6FCFDC3CE2682FFC_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CN=C(O)C=C3,DZEYUEWJRSOVCX-UHFFFAOYSA-N
-04294AC0B3E45537_2E314F239AEA05D1_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O,ZEXZMKQORBGEIV-UHFFFAOYSA-N
-04A51A9FB32CD105_F400421F62D64CC8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N3CC(C3)OC4=NC=CC=N4,HXIROXMLPGHMGS-UHFFFAOYSA-N
-05814A3E95B6CA6C_5E4856625798C0FC_6041_UN,CC1CCC(CC1)OC2=NC(=NC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,RPNKGNANDHPAID-DQPZFDDXSA-N
-05FDECC646DA69C1_4E8912F8302671F4_6038_UN,N(C1=CC=C(C=C1)[N]2C=NN=C2)C([C@H]3N(C[C@@H](OC)C3)C)=O,RZDAADKHVUAIFS-KBPBESRZSA-N
-07A9BDB71FEAD429_B76545EEA872E3B7_6038_UN,OB1OCC2=C(C=CC=C12)OC(C(C(C)C)[N]3C=NN=N3)=O,RHEFOPVVHANHEZ-UHFFFAOYSA-N
-08FD877DE9CC4E56_9E44C680BAB67EA0_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC(CC(C)(F)F)N,WBILCXCEQOPBFI-UHFFFAOYSA-N
-093AD46FF6883CD4_80FD1571EB3A6948_7017_UN,N5([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)C(C3=CC=NC(=N3)N4CCCC4)CNCC5,PPECZOKVWWHFHJ-UHFFFAOYSA-N
-094C8D303563B79D_72522C610A752AE7_6038_UN,CC1(ON=C(C1)CNC(C(N(C)C)C[N]2N=CC=C2)=O)C,IGYGLUUVCFQAQR-UHFFFAOYSA-N
-0A5EF8C0FDC693B6_21503A6C1356E413_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,FZJXEZQICJIGLN-UHFFFAOYSA-N
-0A8B247E406C2BF7_F044B824BD648F62_7019_UN,CC2=C(C=CC1=C(C=C(NCC)C=C1)O)C(=O)OC2=O,VXHKMHPCOREIPT-UHFFFAOYSA-N
-0B1927125CAD12B7_413BA7960080D78E_6029_UN,C1CN(CCN(C1)C2=NN=CC=C2)[S](C3=CC(=CC4=C3N=CC=C4C)C)(=O)=O,ZBTCPHTYZPIDFE-UHFFFAOYSA-N
-0C5FE94F9650EA87_60F069ACF54B3295_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC=C([S](C)(=O)=O)C=C4,KMAGQQIZHSCRLD-UHFFFAOYSA-N
-10240E67DF22A281_E485857113C85C64_6038_UN,C[N]1N=C(C(=C1)NC(C3CN(C2=NC=C[N]2C)CC3)=O)N,PGZITKNPDDILMB-UHFFFAOYSA-N
-10406DF9AD7A65D0_BD9F172A9A5CE13A_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)Br,KJHVSUUPGPWQCO-UHFFFAOYSA-N
-11DF8F4FA9524DAB_4BC7950843492B79_6028_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,DIDHSHFDDZWJCK-UHFFFAOYSA-N
-1278F033A43E6E50_C51F22608752951D_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N3CC(C3)OC4=NC=CC=N4,AJXOIMGKJZRCJJ-UHFFFAOYSA-N
-1469B83EF1188681_280837938B77D75D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C(C)(C)[S](=O)(=O)C)C=C4,KFRGEOGAKHJAED-UHFFFAOYSA-N
-1619E45C684BF905_430B8D4D6D15F167_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C(C)C)C2=N[NH]C=N2)=O,KRGRZAZQTBLBJN-UHFFFAOYSA-N
-1634D744BF282953_AA140CBC8BACC1AB_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,JJAZDMOTQUYJCN-UHFFFAOYSA-N
-1665A252A8F76870_78A88A6C7DCA2693_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3N=CN(C)C3)=O,CQNHPXKORGBNQZ-KWCCSABGSA-N
-1677B90E1825AC8B_CF59BB2D33293730_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,QSRLKTMCDFCWBC-UHFFFAOYSA-N
-186488FC638BAC6D_3DA4C5C9381BA37C_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N4CC3(CCC3)C4C5=CC=NC=C5,MWAUSQSGKWXMCC-UHFFFAOYSA-N
-18FB22094C329CA1_FE39BE8B1034775C_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C)C=C2)C)CC3)Br,NYANNCZVDFNRGB-UHFFFAOYSA-N
-1A5103726A2A99B8_0E9B8D4C21CC68F7_6043_UN,C1(=CC(=CC=C1)C2CCCCC2)N[S](C3=CC=C(SC)C=C3)(=O)=O,BVRWSPXWCRBUNZ-UHFFFAOYSA-N
-1A8788282B60ABEB_92C7794A326EE172_6038_UN,CC2=C(OC(=O)C(=O)CC1=CC(=CC=C1)F)COC2=O,VFTKFNIBJYSBBY-UHFFFAOYSA-N
-1BB6F83F5A3C1E6C_B803339FBEFC34D8_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=CC(=C2OC)OC)C,YVSQLNXJXYZCBX-UHFFFAOYSA-N
-1CA22EDFCCC3E84E_3C9C61362ECEDC99_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=N[N]3C)CC4,GMYSCDURHUJXEK-UHFFFAOYSA-N
-1DCA0476DB1EF061_90C068FE7730418B_6026_UN,FC(F)C1=CC(=CC=C1)[S](=O)(=O)N2CC5(C4=C(C2C)C=C3OCCOC3=C4)CCCC5,YRJCOEZGDWJXPI-UHFFFAOYSA-N
-1DFA578599ED46F4_ECE83736F8EC42F3_6038_UN,CC(C)CC(NC(C1=C(C=C(N(C)C)C=C1)F)=O)C2=NN=N[NH]2,QRBIRXUWTSGCLW-UHFFFAOYSA-N
-1E035EF265A85AB8_6AED3AA375283D6F_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCC(C3=CC(=NO3)N)CC4,MZFWUAJWAWSHFG-UHFFFAOYSA-N
-1E2214C10EFB447F_70F9588E48AAA725_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)F,YZOGABKHLQFNDL-UHFFFAOYSA-N
-1FD732D2E4A79CC4_278D1A0CBBD4327D_6041_UN,FC1=CC(=C(C=C1)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,NROLASYWUTUAGF-UHFFFAOYSA-N
-204B4CFB6BBB4F54_E94D5B91F87CF515_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CC=C(CN3CCN(C)CC3)C=C4,WFODFAXFBPKTGG-UHFFFAOYSA-N
-20EC340A1620C3C8_0CC13080ACE1E937_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=CC=CC(=C2)CN3CCN(C)CC3,RCPREGZCVLRRKJ-UHFFFAOYSA-N
-20FE422086484E3D_FCBE1C25AD002EAA_6034_UN,CC1=CC(=NC(=O)N1CC3=CC(=C(N2CCN(C)CC2)C=C3)F)N,PLPOLIKZZMGPOJ-UHFFFAOYSA-N
-2115957E8580C597_8E46D3ABF616B94B_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(C3=NC=C(N)C=N3)CC4,AABICNXOGYTPFR-UHFFFAOYSA-N
-21D2D55ACF6A89A4_7DF326B05280DA26_6041_DP,C[Si](C)(C)C#CC1=CC(=NC=C1)NCC(=C2CNC2)F,UYESCULIBSSYSW-UHFFFAOYSA-N
-2292A02C0710ADD2_3EAB0F2ABFD1E6BE_6026_UN,FC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N3CC6(C5=C(C3C)C=C4OCCOC4=C5)CCCC6,ZIOIIWOJVOQKHI-UHFFFAOYSA-N
-22D92BEE9F50B517_A563972208AA446D_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CN=C(O)C=C3,IRGXJXGIEDSLIF-UHFFFAOYSA-N
-2422A70B31EACE60_77FB86893737D161_6029_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C3=CN=C(C2=NN=C[N]2C)N=C3)(=O)=O,OBTCOKSUSCYXBB-UHFFFAOYSA-N
-24E73CCC16A21A0F_311EE6632E4A3354_6039_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)CC(C(OC)=O)=C,LQWAGSGHZQWDMA-UHFFFAOYSA-N
-2680A4C93973CF8B_9847C74C5113E8CA_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,NSSHNKMRTPMYPW-UHFFFAOYSA-N
-272D12793E4F19EA_9A37D4F2C9E91B85_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)N3CC(C3)OC4=NC=CC=N4,CWNNWGNQXILRGT-UHFFFAOYSA-N
-27905596B3C048C7_022C1FC222E6F915_7013_UN,CC(C)[N]2C1=CC=CC=C1N=C2[C@@H]3CCO[C@H]3C4=NC=C[N]4C,PVUKQSFFIQBMJI-CZUORRHYSA-N
-2880DBB1B6834FB1_D08C9BAA370640DC_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=C(C=C2)Br)C)CC3,BEPBDVKCPRAIJX-UHFFFAOYSA-N
-28B8F239172F2AB0_CB166C77F86A5AC5_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,MWIITESSHNUBON-UHFFFAOYSA-N
-2A0B73975DDE8388_91E881C4FCE57E14_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,IRPXXCCYIRAHQS-UHFFFAOYSA-N
-2A5D445583FC6ED1_D5F57CB75682C603_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C3=NC=C[N]3C)CC(N)CC4,COVDBQVKNBHRLM-UHFFFAOYSA-N
-2A9DF623C115552A_D876CE6314A89F00_6038_UN,CCOC(=O)[C@@H](NC(CC(COC)C)=O)CC1=C[NH]C=N1,HEKMGCLWCCCZJT-KFJBMODSSA-N
-2C3CA92B25B34FA4_257ECDB4FB2873CC_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=NC=CC(=C2)OC3CCC3,JNSOAVFIUCOMHK-UHFFFAOYSA-N
-2CD0C80DC3A88F67_D0728E129873C46E_6035_UN,CC(OC1=CC2=C(C=C1)OC(=O)CC2)C3=NN=N[N]3C,OKFMUCGWMCGSHD-UHFFFAOYSA-N
-2D80155F6A7EE5C3_6E859C39FB42F8AC_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,QMAFMHBLXNFPNP-UHFFFAOYSA-N
-2DA845FDBBA8D23C_D59A6984F1D07850_6026_UN,CC1=NC(=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)Cl,AHTCHPVLWRHXIK-UHFFFAOYSA-N
-2E9D219688A8569B_2E2BA5ABD5319A7A_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4,XFJCKAPZLSUAFL-UHFFFAOYSA-N
-2EED26E84239C959_8D71E2BF05A7C511_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,POGURMRHMZGTQA-UHFFFAOYSA-N
-2EF35079A86A570A_7B05DA8BAC9039DD_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,DZKZUHHWYGGSJU-UHFFFAOYSA-N
-2F63CE6A4D6615FA_3624BA4C39D4B36D_6034_UN,C1CC(CO1)C3=NC2=C(C=CC=C2)N3CC4=NC=C[N]4C,BDDSRFKTEINBJQ-UHFFFAOYSA-N
-2F71C3D0E9B4FCAB_FADF775241834149_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=C(C)C=CC(=C3)[S](=O)(=O)N4CCCCC4,XOYJLFFZTGEERS-UHFFFAOYSA-N
-325D30774C096940_08FF7C4A9AACD575_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CCOC4=O,SJQBAKBCJZPCLN-UHFFFAOYSA-N
-3268F029CCE97EA4_2FF48090DDD862D0_6041_UN,CC1=CC(=C(C)S1)NC3=C(N2CCN(C)CC2)C=C(C(=C3)Br)F,MYWPJXLMQSJOFI-UHFFFAOYSA-N
-327706B3A8AE65BF_53641B83462C5DCE_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)C5CCCCC5,WWGPBGLOHYGLIU-UHFFFAOYSA-N
-35FD9AD9973B1ECF_09C71E0774F21FA7_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N3C(C2=CC=C(C(C)C)C=C2)CCCC3,XCXGJKZJAKKLIQ-UHFFFAOYSA-N
-3768190885CF8B72_14EBC4D27E64AA6C_6029_UN,C1CN(CCN1[S](C2=C(O)N=CC(=C2)C(F)F)(=O)=O)C3=NC=CC=N3,NQXYADOQFARVFF-UHFFFAOYSA-N
-39CBAF59CD6BB7E4_9B3F04F4E4F16C16_6029_UN,C1CN(CCN1[S](C2=C(C)N=C(C=C2)Cl)(=O)=O)C4=C3C=CSC3=CC=N4,GYINPWHWTCINNI-UHFFFAOYSA-N
-3A7592BCFA874DE3_E3B8213D5784867F_6006_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)C3=C(C=C(C)C=C3C)C,QQABCMKJSKFWDP-UHFFFAOYSA-N
-3AB430DFCA03673D_7CFA15A1A33FF5E6_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=N2)C(F)F)C)(=O)=O)C3=NC=CC=N3,NWBOJTHPKBXUFE-UHFFFAOYSA-N
-3B8CC0BC7EBE678B_D25D19ECD20B20F5_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4)Cl,SUBZHPJKSDIEHJ-UHFFFAOYSA-N
-3DE8424E6362C24D_791A73EB01FDF418_6028_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,RYTDCUUFRSHXME-UHFFFAOYSA-N
-3F507501CF1FED89_5428E5F1360071A5_6029_UN,N(C1(CCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,QHZZRGWIGWEAKY-UHFFFAOYSA-N
-3FA5524B2713BB89_1BABD2E927D04371_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(CC)C=C(C=C3)SC#N,IEPXLVJILVGXDQ-UHFFFAOYSA-N
-3FE98C69B4AB09CB_84689F62509E576B_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,VSGABRMOXUHYOV-UHFFFAOYSA-N
-40077521D23DD30E_D1FC87DA5CAB4336_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,ICDZLWFEVRNFKD-UHFFFAOYSA-N
-400C5F180C7AD110_053FC01BF8788506_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)N5CCCC5,FQQSLLKDSKKNGX-UHFFFAOYSA-N
-41211D8583C7DB46_5B94F09E8A95752E_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)Cl)O4,VXUQNLBEELARMR-UHFFFAOYSA-N
-43E2EB822D5E90DF_1FC280449D4E5A47_6038_UN,CC(C)[C@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)C(=O)N,ICPTYWSKTTWUFO-ZETCQYMHSA-N
-447C3941A56AB62B_FB15B9490FDCED73_6029_UN,CC1CN(CCN1[S](C2=CC=NS2)(=O)=O)C3=NC(=CC=C3)C,VABPCJKXEAYALM-UHFFFAOYSA-N
-4692258BD914141C_749CACA99BA99DF2_6038_DP,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C([C@@H]4C[C@H](O)C4)=O,WGAMZJBGDQNFQF-OKILXGFUSA-N
-474179587220C605_91CF84A37157F8BE_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,ONLXWZPCPNKJJJ-UHFFFAOYSA-N
-47CF604A85C51E9B_1F1B14EB3E334284_6029_UN,CN1CC2=C(CC1)[N](C3=C2C=C(C=C3)C(=O)O)[S](C5=C[N]4C=CN=C4N=C5)(=O)=O,WKRMPLDSLFYTSI-UHFFFAOYSA-N
-48DAF345E5DEC257_8ED96BA8C949058B_6029_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,COQKXUDQPKOMSM-UHFFFAOYSA-N
-4C01D6322663C03E_0CE3B5A28C4176F7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C3CCCCC3)C4=CN=CC=C4,SVVDUBXEKLAXQN-UHFFFAOYSA-N
-4C574CFB464C8F6E_66D3367495BD5E33_6029_UN,OC1CCN(C1)C2CCN(CC2)[S](C4=CC=C(OC3=C(C=C(CO)C=C3)F)C=C4)(=O)=O,IWMYWNCXMOVSRU-UHFFFAOYSA-N
-4DB179E648516D17_941F93B0FEE0402A_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,UCMGBKIJPMFVFV-UHFFFAOYSA-N
-4DB34CF2962E808E_4D8A5F9633B3BF03_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)C5CCCC5,LMUYHTBUPMDNIB-UHFFFAOYSA-N
-50DED5286A243860_47F8B684B3016730_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,ZPDWUEMFNPUPQO-UHFFFAOYSA-N
-5132BF8203FC8EE9_54208A18AD46FED2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCC3=C(C)C=CC=N3,URAALFXNEAOEAL-UHFFFAOYSA-N
-5287EFD996492BB9_9B17861E7BB83117_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,DUDNECXATDNKHR-UHFFFAOYSA-N
-52DDE908AFE35CE2_DB84218D16560E20_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC(C2=CC(=CC(=C2)C)C)CC3)Cl)O4,GKNDITVWSSXTJI-UHFFFAOYSA-N
-5493E054D2F0E9CB_803D26C9F55D7417_6041_UN,FC2=C1N=CC(=C(C1=C(C=C2)F)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C)C#N,UFFDBAVEPGFZCG-JKSUJKDBSA-N
-5508DD1C0A897A80_569DE33B2381246C_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)C5=NN=CC=C5,WTTJMNGDICJLPX-UHFFFAOYSA-N
-552E94AD7624B904_081694EDB5763DAE_6038_UN,C[C@H](OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C3=N[NH]C=C3,JZJXHBMXKGUVAE-VIFPVBQESA-N
-554D5F8E3706438E_84D9E14D982A26CB_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OC3)C=CC=C4,JHGDEAORIMIYAQ-UHFFFAOYSA-N
-56F36DB8B26C0B27_DF604AC4C6605142_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC=CC(=C4)[S](C)(=O)=O,QQDOZIHBSZYRKQ-UHFFFAOYSA-N
-5724A4550D2F4C48_D9CE11B14CF03BAF_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,LXSHCGNZXKZBNQ-UHFFFAOYSA-N
-574DFC4E0A9839FA_A517BEFD9E3BFFBC_6029_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,WJZZKAJBEUZLQC-UHFFFAOYSA-N
-58B34CD0D8E95E47_E1D7D0FF610FCF13_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C([S](N(C)C)(=O)=O)C=CC=C4,KKKSILUDCFDMMF-UHFFFAOYSA-N
-58E705527B95A86E_0EC5911228FB5A51_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,DWDYYDJUCYNNKC-UHFFFAOYSA-N
-59BBBE7CF76862FC_0F3604F134AB96D8_6038_UN,N(CC1=NNC(=O)N1)C(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,WOUZRBPYHOJNME-UHFFFAOYSA-N
-5AEBDD97247DB70A_3942DD3A6BAB43CF_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C(=C2)[N](=O)=O)C#N)Cl)C=C3,LWZQVNJVXDTAAE-UHFFFAOYSA-N
-5B558012363E49E8_9E14761657A45F56_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(CC3=CN=CC=C3)C4CCCC4,LZSKUCRQCAIHMP-UHFFFAOYSA-N
-5BB7E962B16FCAF2_954BD2B1679FDE79_6038_UN,CN(C)C1=NC(=C(C=N1)NC(=O)C2=CC(=CN=C2)N3CCCC3=O)N,RTMCEKOXIPWNHE-UHFFFAOYSA-N
-5FDDA0390A13FD15_C833231C76A4CAFA_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PAOJVKYTDWZJHL-UHFFFAOYSA-N
-607A973592B7CB15_34F320C2D1A2977B_6041_UN,OC(=O)C1CC(=NO1)C2=CC=C(S2)NCC3=CC(=NO3)COC,YCZUKKVDYJMLNC-UHFFFAOYSA-N
-617367FABB2D81F0_2A315D8057F2CA8C_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C(C)=C3CC3)=O,JIXKTIOYKOJMMW-UHFFFAOYSA-N
-618F67F8ABBEAE99_9A17519381E3B202_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,ASKDEFFRVYOTRK-UHFFFAOYSA-N
-62F2B96810E3118B_59552DA4F0FED9A5_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=C(CN3CCN(C)CC3)C=CC=C4,FROSGKBDKYCQSA-UHFFFAOYSA-N
-6345ECA3117CFF00_1847386483B5D648_6041_UN,C2(=C(C=C1[NH]C=NC1=C2)C#N)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,KPCVYSSKCNXSBD-KBPBESRZSA-N
-638E97B95AAF4C79_BF67D9D13E7F1852_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC(=CC=C3)N4CCOC4=O,CEEUJTLNWFPKJK-UHFFFAOYSA-N
-64A87E34FFC9CBF9_23760523A2926A3C_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(C2=C(C)C=CC(=C2)Cl)CC3)C,YOJKPDGKXAHCIL-UHFFFAOYSA-N
-65454A3DCBF18975_5808302DCF17553A_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,YDQILALKCRVPTA-UHFFFAOYSA-N
-65D70A17DC2FAB1A_8ADC3001D56C61B3_6038_UN,CC(C)CC(NC(C1=CC(=C(N(C)C)C=C1)F)=O)C2=NN=N[NH]2,JNANKYVKLNMLKU-UHFFFAOYSA-N
-664FD9C42FB35AB2_96C8E23DA8A2D203_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCC3=CN=C(C)C=N3,XAXNIBMIVDZZTM-UHFFFAOYSA-N
-6A72D96E4F3F1259_E8CDEC5B739DE979_7022_UN,C1(=C(C=CC2=C1OCO2)F)NCC3N(CCN(C)C3)C,DDHFPMAFMOZSAL-UHFFFAOYSA-N
-6AC012DDB3D71C17_2D0460F0685B3222_6028_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,NMXBWBOQJPHIHA-UHFFFAOYSA-N
-6B0DE3FA3CD194B0_76B7E8361902C203_6038_UN,COC(=O)[C@@H](NC(CC(COC)C)=O)CC1=C[NH]C=N1,PZGGFRUNYFXMNF-UMJHXOGRSA-N
-6B61C7C3F9198A6B_178670546441C936_6027_UN,N(C(C1CCCCC1)C2=CN=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,NTBVEKNUODVYFV-UHFFFAOYSA-N
-6C10D867E189C65E_3EACCC24B4C3762B_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC3=C(C=C(OC)C=C3Cl)Cl,URAZNTPFABLZOT-UHFFFAOYSA-N
-6C1907B0187CE470_4ED93A40B51747ED_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)N5CCCC5,IMLJUWMFAKGSPR-UHFFFAOYSA-N
-6C5A0F960E9B2D7E_DA6B71EEE1B2C9A0_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)Br)CCC3,WYYXDWQSIRAPJC-UHFFFAOYSA-N
-6D98CE4D3DC50DA4_F25091BDA33D36D5_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3C4=C(OCC3OC)C=CC=C4,YYCNJGYVYYVFDP-UHFFFAOYSA-N
-6EA32CCAB1BDB729_4DF82C80BDCB521C_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,TZAZGPNBDSSQMG-UHFFFAOYSA-N
-6EAA135161B5B4D0_CA01D6934DEF03C3_6029_UN,C1C(CN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NOCC3,JRCPAQPYADZDIL-UHFFFAOYSA-N
-6F0F27F7BADECDE3_BE8E8752091D8A6C_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=N[N]3C4CCC4,LVQTTYZAYWPPGD-UHFFFAOYSA-N
-6FD0507C075B9F3F_1C271506E9969B70_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CCCCCC3)C4CC4,DKCPBCXBJQAPFD-UHFFFAOYSA-N
-6FD472A44B184567_55B61D5724ECE2CA_6038_UN,N(C1=CN=C(C=C1)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,BOJDGWQERYDVST-WDEREUQCSA-N
-70103FCF22C5B875_CBF76947807442B0_6038_UN,CCOCCN2CC(OC(=O)C1=C(C(=CN=C1)Cl)Cl)C2,WKHFAADTFGRLCW-UHFFFAOYSA-N
-703BCA194BF0D2AF_AA51DDFB278946A4_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)I,NDHVPPDYLRCBLH-UHFFFAOYSA-N
-7210D84E8BAE9413_E3E08EEB3108D242_7017_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=C2N)C)C)CC3)Cl,JXZTTYISOYCAKW-UHFFFAOYSA-N
-72D1E89C0E85CD1D_B93962ABB02D74D0_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,XNSVZEYCRZQOST-UHFFFAOYSA-N
-748E28AAB23CFC03_1AC414017BA12F28_6041_UN,CC1=C(C(=NC=C1)NC2=CC(=C(OC)C=C2)N3CCOC3=O)[N](=O)=O,FOFRXQCSCAJJRE-UHFFFAOYSA-N
-759BE839526E9FC0_D734EF1082D3F5BE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)O[S](=O)(=O)F,VAIWPDJSHXAHCI-UHFFFAOYSA-N
-763E0F716DEA8307_AF2DAD6532F737DF_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,NLJIFYYYMICOCU-UHFFFAOYSA-N
-775369D29D7A23D0_7AAE23B9D94CF05D_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4)Cl,XSCLGIHZNOFBHG-UHFFFAOYSA-N
-7781A7B5367F6F97_FED5DAEB6A7949DA_6041_UN,CC(C)C1=NSC(=N1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,LISNXUWEXQTJOB-UHFFFAOYSA-N
-783826EFB343374B_819E240EBC0352B3_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(CN3CCC(N(C)C)C3)C=C4)(=O)=O,ALLUTGHIDFSOBK-UHFFFAOYSA-N
-783B9839BABBAAAC_76785947AAD84DA7_6029_UN,C1C(CN1[S](C2=CC=CC(=C2C)C)(=O)=O)OC3=NC=CC=C3,QVNIHPPBJOOXIV-UHFFFAOYSA-N
-7932F71BF6D34A7B_43E6FBAE9097ACDF_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C(=C2)[N](=O)=O)C#N)F)C=C3,DWEGZSWGVIVTDM-UHFFFAOYSA-N
-79878FDC51BB34A9_96A976FDEF4E90A1_6041_UN,CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,UQPZPXANWVTZIA-YESZJQIVSA-N
-7B27E7C45CAA2899_1053AD8271490F05_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(CN(C)C)(N)C3,BOQNUCPQUZIANH-UHFFFAOYSA-N
-7DB63C8A5B79AAA9_7D8C03140FD0F579_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=N[N]3C)CC4,OILIWLKTMPFFTF-UHFFFAOYSA-N
-7E3687BE1E0A56F8_6DC2D47CBB651AA6_6029_DP,N1CCN(CC1)C2=NC=C(C=N2)N[S](C4=CC3=CC=CC(=C3N=C4)OC)(=O)=O,UHQAECUVEZPIQP-UHFFFAOYSA-N
-7E461DB9145BF7AE_D5D71795E730A8CE_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)C(C3=C[N](C)N=N3)C(CC4)N,UKUNNZQEPPQKEE-UHFFFAOYSA-N
-7F44755F10155697_A17AC8DB7E4AF14F_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4(C3=C(C)C=CC=C3)CCCCC4,LXNIHVUTCIRBHF-UHFFFAOYSA-N
-7FCE1D1CB2AB83B2_FBFAD30DF5350CE3_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N4CC3=C(C=C(C(C)C)C=C3)CC4,GEEOCSBNBYOLDN-UHFFFAOYSA-N
-7FD6F4A75FD5E4BD_EEBC1E1063E50A41_6038_DP,N(C1=CC=C(C=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C([C@@H]4C[C@H](O)C4)=O,WFYCHKSMYPCHMO-FZNQNYSPSA-N
-80B2D7690EFF1D57_2B2A66E3B09E4538_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(OC2)C=CC=C3)C,LCSFRZXWIOMJMH-UHFFFAOYSA-N
-8105F3051362C8F2_343A715983339EB6_6028_UN,OB(O)C1=CN(N=C1)[S](C3=NN=C(C2=CC(=CC(=C2)OC)OC)O3)(=O)=O,XJZDQDAAPLXMHL-UHFFFAOYSA-N
-81F5F518866B9496_4B1B4B98C4E5A6FA_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,WWZDIUCCYPQKIF-UHFFFAOYSA-N
-8210AB425A6D8459_8E9A532DFAECC257_7017_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=C2N)C)C)CC3)Br,LBSLAXRXMQXNNB-UHFFFAOYSA-N
-82AFC25E67E2C9F2_CE0A5B6B4D3A7D9B_6029_UN,C1C(CN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=NOCC3,AMBZWMJFJYGUHA-UHFFFAOYSA-N
-832AB4CCBB88BCE7_FD511DE91E872E5A_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,KCFQIKDYUGMDBY-UHFFFAOYSA-N
-863D4DECAB8C04B7_FD82884AC473C931_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=N2)OC)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,XAIFYDLJUBIKAV-UHFFFAOYSA-N
-864D7646CF28AAD4_18DF59FBAB619EFB_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC(C(C)(C)CC3)=O,ZCTPYBDRUXNFMK-UHFFFAOYSA-N
-86A807073BF23ABD_E8DC4D10C2964073_6038_UN,CN(C)C1=CC4=C(C=C1)C(NC(=O)C2=CC=CN3C2=NCC3)C(=O)N4C,SZEPFXLCEXGVBE-UHFFFAOYSA-N
-872A0896D6F8C169_5FC876FDB9BF5755_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,KLIJWGHUWTZZJD-UHFFFAOYSA-N
-879D3932502F5DB6_28128B61C71A9A2B_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)Br,KINYJOMPSVFHKU-UHFFFAOYSA-N
-88196B2136C30BF6_A11F2D72D8CCF7FF_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4C3CCN(C)CC3CCC4,JLMWIJRDGXZYQL-UHFFFAOYSA-N
-8857CB883AC32E99_8FA34ABEDFF3BFDE_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=C(C)C=CC=C3)CCCCC4,VCXNLNKXBTVNLQ-UHFFFAOYSA-N
-889FDE9C4430846F_6BB422C04D720C4D_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C)C=C2)C)CC3)Br,ZRFZTZIWSNAFOZ-UHFFFAOYSA-N
-88C8E682BC7126F5_805BD52BDF18DC84_6038_UN,CC2OC(=C(OC(=O)CC#CC1=CC=CC=C1)C2=O)C,GGQHJQHCPWPZHE-UHFFFAOYSA-N
-89DFE62915E2E531_FA477556BFBF3BD9_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Cl,NNEYUJSSBVMMIW-UHFFFAOYSA-N
-8A35B773A145ECBF_4A1F63EE84D3E7CB_6038_DP,N(CC2=C[N](CC1=CC=CC=C1)N=N2)C(C3=CN=CC(=C3)C(O)=O)=O,GAQGIYDHYYREDT-UHFFFAOYSA-N
-8A37C170AC83505C_24847A0694CB3AC9_6041_UN,CC(C)C1=NC(=NC(=C1)C2CCCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,AYJVHGJVCVPPRA-KRWDZBQOSA-N
-8B0860A3B5917826_A26D4667D6B611A3_6039_UN,O(C1=CC=C(C=C1)N2CCOC2=O)CC3ON=C(CC)C3,XBSSHJRNBOTOBX-UHFFFAOYSA-N
-8B0FA866F420739B_7D7169E06304D289_6009_UN,OC(=O)C=C(C(=O)O)C1(C(OC(=O)C1)=O)C2=CC=CC=C2,IIXOEJCPGFWXJY-UHFFFAOYSA-N
-8B1A85CCC1ABC4A3_ED27EE3D24F801AD_6029_UN,CC2([C@H]1CN(C[C@H]1C2)[S](C4=N[N]3C=C(C)N=C3C=C4)(=O)=O)C,UWBUHDKTRZYGSB-NEPJUHHUSA-N
-8D2F50CBEE9F9BB7_566D9507141994F9_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CCCCC3)C4CC4,SKWVURYOYIBJRU-UHFFFAOYSA-N
-8E3038BE551BA49A_79BAF1549EF61DF9_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=C[N](C)C=C3,MLUKYUBOVTWOGJ-UHFFFAOYSA-N
-8EF85FB07C6D58C5_2C5F2E784711E8B1_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3)Br,SLNAZRJXDSWRIS-UHFFFAOYSA-N
-903620B314E62D30_FB3C76A3120671D9_6041_UN,CC3=NC1=C(C=CN=C1NC(C)C2COCCC2)[N]3C,BMBBZKNQWKRGSU-UHFFFAOYSA-N
-90FF83F9570401B6_D50FF192DFFE69CA_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,SZBXQCTZTXURDS-UHFFFAOYSA-N
-91DB18437F65103D_8036764177672071_6026_DP,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)N3CCNCC3C4=CC=C(CC)C=C4,DHBOSALAGMIQMP-UHFFFAOYSA-N
-91E5F30EA9273BCA_ACC9500EC3967815_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC(C)C4C[S](C4)(=O)=O,GQFKYFMFIAGEFA-UHFFFAOYSA-N
-9290CF091F426F8A_BAABED81933CE5A1_6029_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,IWNZCUNMMPWVEJ-UHFFFAOYSA-N
-93BAB07F17019FBD_89EB9F57DADBF71F_6041_UN,C1(=C(C=CC=C1)C2=NNC(=O)C2)N[C@@H]3[C@H](OC)COC3,LWCCALXMPJNQKP-QWHCGFSZSA-N
-941875D19A4C3BE1_7FE630A461728B92_6029_UN,N(C1(CCC1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,GQTNJMXKODFVLV-UHFFFAOYSA-N
-95B4610F5828C3E2_553EBD9B62C40EA8_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,STKMFUVRDAAIQI-UHFFFAOYSA-N
-967E6DDD171DA406_EC0BC2447F278328_6029_UN,O=[N](=O)C1=C[N](N=C1C2=NC=CS2)[S](C4=CN=C(OC3CCN(C)CC3)N=C4)(=O)=O,BSWJAKZTWSOUAE-UHFFFAOYSA-N
-975392587AE2F5F2_333FEB977A7FFE1C_6038_UN,CC(C)CC(NC(C1=C(C=CC(=C1)N(C)C)F)=O)C2=NN=N[NH]2,BTMWKVHKJYFAAL-UHFFFAOYSA-N
-97710908288BCB11_77979DF6ADCDC9E7_6029_UN,N(C1=CN=C(C=C1)OC2CCCC2)[S](C4=CC3=C(N=C(C)N=C3)C=C4)(=O)=O,LPMAIMNKDWRYNH-UHFFFAOYSA-N
-9786B53D7DC48AF7_FD6101731E95D6A5_6028_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=NN=C(CN(C)C)O3)(=O)=O,QRODJKRIMFTAHZ-UHFFFAOYSA-N
-98E63D54C0090BA3_6EDAA7814D3BE19C_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C=C2F)C#N)C=C3,XVJLGIXVGNCTKY-UHFFFAOYSA-N
-99143D88302A7830_C56EC83FD0495D28_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CC(N(C)C3CNC3)C4,IISSGTIWPZYRGJ-UHFFFAOYSA-N
-9B88290F0AE3444C_7388CED02BAFC156_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(C2=CC=C(C)C=C2)CC3)C,UVLWTSQAWVMNCU-UHFFFAOYSA-N
-9CC3D7D5BFCACBCE_9DFA289EDADFA6E1_6029_UN,C1CC(CCN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=NC=CS4,ILEYVMFSKOKVDM-UHFFFAOYSA-N
-9D838EA6E61ED707_B248FE653DBD7242_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(CC)(F)F)C=C3)(=O)=O,DFJAWICIOWSSFH-UHFFFAOYSA-N
-9F6F6CAE283CDD54_EFFEEE3542FAC3D4_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,MIYJHICITKRJFR-UHFFFAOYSA-N
-A00D893376622263_3B2DFF09708853E5_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CC3(CCC3)C4C5=CC=NC=C5,QACHORQRXZKOKJ-UHFFFAOYSA-N
-A032256E243CF658_BFAB2E2C1013AF20_6026_UN,FC1=CC(=CN=C1)[S](=O)(=O)N3C(C2=CC=C(C(C)C)C=C2)CCCC3,UZOKUQCMAKJSQN-UHFFFAOYSA-N
-A09539D5DC90155D_D9C6936F1B463DB9_6041_UN,CC(C)C1=NC(=NC(=C1)C2CCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,AYJVHGJVCVPPRA-UHFFFAOYSA-N
-A13B636EFE310345_8C7EA483A855CD51_6027_UN,C1CC(CCN1[S](=O)(=O)C2=N[NH]C=N2)[N]3C=C(C=N3)C4=CC=CC=C4,WFNPLLZWCATRDC-UHFFFAOYSA-N
-A13B636EFE310345_8C7EA483A855CD51_7015_UN,C1CC(CCN1[S](=O)(=O)C2=N[NH]C=N2)[N]3C=C(C=N3)C4=CC=CC=C4,WFNPLLZWCATRDC-UHFFFAOYSA-N
-A3278F6260C15327_A963C17F8A311E4D_6006_UN,CC2CC1=C(C=CC=C1C2=O)C3=C(C=CC(=C3)C)C4=CC=CC=C4,KWCBIMIRWCNSBD-UHFFFAOYSA-N
-A387DAA0E06D338B_56AD68B61628169A_6029_UN,CC1CC(CN1[S](C3=CC2=C(CCCC2Cl)C=C3)(=O)=O)C4=CSC=C4,MACHSFZCEITDOG-UHFFFAOYSA-N
-A3B00E873129E4C6_C080750674A0DFDA_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3CCC(OC)CC3,PWQPUPXVVADZQE-UHFFFAOYSA-N
-A43360869305CFA5_B563F900C9B863E9_6038_UN,COC1=C(C=CC(=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,MXVIVKGCSLFOIP-UHFFFAOYSA-N
-A45711EE5534C808_2AFB76E0D98AC29A_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,PVDHEKVKVAUNMB-UHFFFAOYSA-N
-A4D1EA1CB61A91B4_1042C7F89F0F9A54_6038_UN,C[C@H](NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=C(C)[NH]3,MPHHZCIMKXTOHH-NSHDSACASA-N
-A6077AEFBD83BCE5_36C55771761ADF15_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)NCC(CCC)=O,AWYWSQIGYMABMJ-UHFFFAOYSA-N
-A60F295752C243E2_2BEF97F29F51E925_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(C4)OC5=CC=NC=C5,CTUQDSZTUNELCZ-UHFFFAOYSA-N
-A6831B86268580B9_E53F7F3C89A06453_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4)Cl,VXHAZIYMNAHYKX-UHFFFAOYSA-N
-A6E8EE44649CC1FD_FDAE161428B9D434_6038_DP,O(C1=CN=C(C=C1)[S](=O)(=O)F)C(C2=CC(=NC=C2)N3CCNCC3)=O,IYQCKCHZPBGZRI-UHFFFAOYSA-N
-A71CFEB5638EDA40_28B4D48B38F907A7_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC=CC(=C4)[S](C)(=O)=O,GAYPHXUAULLVQI-UHFFFAOYSA-N
-A9864C9AF5D23F19_9DBAE07E0CD03400_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCCCC4,AIWOACANNRJYDC-UHFFFAOYSA-N
-AA839A8ACB54325E_60F6BFF0513F7DA6_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(OC)C=C2)CC3)Cl)O4,SPFXZOGDCYQIQG-UHFFFAOYSA-N
-AAA3797EBB58BA51_880DD95D6382D7A6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4,AWJMFBXPKRWDQW-UHFFFAOYSA-N
-AADDF538A7FF4CE8_04E581B3EAF6B463_6041_UN,CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NC3=C[N](=CC=C3)=O,VVXRQINKGHZBSG-UONOGXRCSA-N
-AB0319E2908160CB_EA4FDA4D72A5696D_7019_UN,CCC(C)CC(C)C=CC1CCCCCCCCCCC1,XHVUSGWLHCGHKP-UHFFFAOYSA-N
-ABBFBA69D5AFA8CF_ABEB829231DE32C5_6028_UN,FC(F)OC2=C1N(CCCC1=CC=C2)[S](C3=CC(=NC=C3)C)(=O)=O,KMNBJPWTOYJXSN-UHFFFAOYSA-N
-ACA5391843F7F97D_3F1034D7A92830A9_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CCCCC3)C4CC4,SFGNBMSZYCYXDC-UHFFFAOYSA-N
-AD70B54C0215ED6D_F37EB612B3851438_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,ZTVIKHGHFVVAKM-UHFFFAOYSA-N
-AD9359864B31EDB8_BF28DB2E2C0B97BC_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCC3,YUJHLCOVLXYFBF-UHFFFAOYSA-N
-ADAA5DD41E38123C_F5C48B45EC91D0B9_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)[C@@H](C)O)F)(=O)=O)C3=NN=CC=C3,SEVADCDXUDTFAM-GFCCVEGCSA-N
-AE162AEEAC06AFA8_7B7E83B55EEF4AE3_6041_UN,CN(C)C1=NC(=NC(=N1)NC3C2=C(C=C(OC)C=C2)OCC3)N(C)C,GAXKWBKCKXTHSV-UHFFFAOYSA-N
-AED9EC7A070FAA4C_B5D935A6BBCCC51A_6038_UN,CCOCCN2CC(OC(=O)C1=C(C(=CN=C1)F)Cl)C2,MRHFRJDBEVCRTE-UHFFFAOYSA-N
-B07AB94C1BE4BE81_EB49359C4D535EC3_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCC3,MVEJGECQRVFUIZ-UHFFFAOYSA-N
-B09F3A89095F7368_1C075E1F6B16A4C5_6029_DP,N1CCC(CC1)C(CN[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CC=CC=C4,KCTXXRAXUJMFQW-UHFFFAOYSA-N
-B0F354DB2FE896F5_3BDBC3BD2862BA7F_6029_UN,CC1CC(CN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=CSC=C4,UJXSNODUMCOUNQ-UHFFFAOYSA-N
-B16D0CFE1880B361_5DBD7953F9BC6554_6041_UN,C[N]1C(=NC(=C1C#N)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C)F,XNTVKOYDUVPFDX-NXEZZACHSA-N
-B1A18B7E498043B2_76D6FC24C33C2678_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4,ZKVQIWFYQZHBKC-UHFFFAOYSA-N
-B22EF6EC4D19D7EF_567FE0AFA5A21DF7_6038_DP,OC(=O)CCSC(C2=CC=C(C1=NN=C(C)[NH]1)C=C2)=O,MNDOZOFBNXHYIS-UHFFFAOYSA-N
-B54B6A37071FB898_40D1F1F38444EE3F_6029_UN,N([C@H](C1CCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,RCYFCNHYQMADGA-OAQYLSRUSA-N
-B6C1F67D0C83BA2B_6EFB826DDDA81EBC_6038_UN,CCOC1=CC(=CC=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,SYLUXOWFNRPWGL-UHFFFAOYSA-N
-B76039DE73B3837A_FE15B50F65D993F0_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)C5=CN=NC=C5,YUZLPIPLUSQLTL-UHFFFAOYSA-N
-B81D09B1AB2A2EB0_7E9FE9DEF9F01BA8_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,OTDOVVGYXSOGSI-UHFFFAOYSA-N
-B8F01A6988E58731_9DFDF6950A0D40DB_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC(=C(OC)C=C3)N4CC(C)(C)C4=O,DQYAQOLFFXGPQJ-UHFFFAOYSA-N
-B908AFFAEC419D4C_BAAFB5EB26A2BED8_6026_UN,CC4CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)O4,GGVNVXRSQIFTOP-UHFFFAOYSA-N
-B92C1BD005138E5C_626FFA333847931E_6026_UN,ClC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N3CC6(C5=C(C3C)C=C4OCCOC4=C5)CCCC6,LLFCMQDGCKMQTE-UHFFFAOYSA-N
-BA2D7CDDA3856ECF_FCA59682F17061EA_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CN=C(C#C[Si](C)(C)C)C=C3)(=O)=O,NKTSTOKDBDCQBE-UHFFFAOYSA-N
-BA85F77F2898B477_F64873BCED6A0630_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(OC)C=CC=C3O,HPVJQRCIXDGBIQ-UHFFFAOYSA-N
-BAAEEA4690E4D8BA_00AD5E6BF061226C_6038_UN,CC2OC(=C(OC(=O)C(=O)CC1=CC=CC=C1)C2=O)C,SMLSKNQPTPJVIV-UHFFFAOYSA-N
-BB63DE41B7E4ADE7_65697AFD8D12BFD5_6041_UN,CC(C)CC1=NSC(=N1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,XIIGTRLKPFRZCQ-UHFFFAOYSA-N
-BBA2A339275D0A04_711F23069A70BAB3_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=NC=CC(=C2)OC3CCC3,MZDGPHUDOZXVTD-UHFFFAOYSA-N
-BC146562BB140CD9_A4CE704D4DAF0485_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(C#N)S5)(=O)=O,SSZGDFPALCXGCP-UHFFFAOYSA-N
-BCEA80D9D260CA34_FD8B063D2EEDC301_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](N(C)C)(=O)=O)C=CC=C4,JEHCCEHETPXYNG-UHFFFAOYSA-N
-BD3285C8F880ABBE_176F44509ACB3B23_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCCC2)N3CCC(CC3)C4=C5C(=NC=C4)C=CC=C5,JNCXQIHWQYSLCC-UHFFFAOYSA-N
-BD56847457505B19_90D39DEAC7715267_6029_UN,C1=N[N](C=C1C2=NC=NC=C2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O,CVNYGQFVIHBOMV-UHFFFAOYSA-N
-BECE60807530F58B_03A1B9E7B0E5EDBC_6035_UN,O([C@@H]([C@H]1NCCC1)C2=CC=CC=C2)C3=C(C=CC(=C3)OC)Br,SHVFPKHDPOXKMM-FUHWJXTLSA-N
-C003341519A34276_940CADF76319AE11_6038_DP,OC(=O)CCSC(C2=C(C1=N[N](C)C=N1)C=CC=C2)=O,LJJBUVKSTUMJDB-UHFFFAOYSA-N
-C17204942C825656_7A03734E6CBAF48C_6028_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,FDJUCMRUTZMSOO-UHFFFAOYSA-N
-C1C43AEA805161C3_8BA20359A424BFEA_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)C5CCCC5,FUMATTWGDMAOIF-UHFFFAOYSA-N
-C29DAA99EA19F454_738A30ADE974871A_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,YKGUROXWPYLARE-UHFFFAOYSA-N
-C2EFF4A0B452D637_B363621BAD697A91_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCCCC4,YDSXVHFKVXTHJO-UHFFFAOYSA-N
-C30A27873F28409E_2B89FADA3FE6FE16_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)C(C3=NC=C[N]3C)CC(N)CC4,KYIFIXJZMFTKKF-UHFFFAOYSA-N
-C30C9DB401A093E3_34BA8DE8EC8816EE_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CC=C(N3CCN(C)CC3)C=C4,HEGKWSVDEIRMSZ-UHFFFAOYSA-N
-C42CF7D938816013_045B2B5A4E6576DD_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,QYGZVHMEGVCWFV-UHFFFAOYSA-N
-C53FAF58D2BC5678_5D07226F6DB4E987_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CN=CC(=C2)C)CC3)Br,JKKVEWYQUYMVJI-UHFFFAOYSA-N
-C93F29E2160BB608_95D2AD709E71848D_6035_UN,CC3=C(OC2=CC=C(C1=NC(=CS1)C)C=C2)COC3=O,KTIJDSXKOZZUKC-UHFFFAOYSA-N
-CA9F75BDDC827B5B_11FD41B958AA6785_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N3CCN(CC3C)C5=C4C=CN=CC4=CC=C5,VXURZNAQANEDSA-UHFFFAOYSA-N
-CAFF4E205557D1AC_C88674065399A227_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)Cl,OWWXFDVTYKKVHI-UHFFFAOYSA-N
-CB1C2890CF79F2C8_EA9DF881836CE087_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(S2)[S](=O)(=O)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,SBIATVIKINZJGW-UHFFFAOYSA-N
-CC3AA746A58A7391_4A36A94DCFCF6166_6041_UN,C1(=C(N=CC=C1)C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,QCNRLHWUPCUYFI-STQMWFEESA-N
-CC43D46226FED06A_00583961E9457A7D_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C(C)C)C2=N[NH]C=N2)=O,SZEADCNGJXAOGM-UHFFFAOYSA-N
-CDE0998A66719517_A98112C99DFA150E_6034_UN,SC2=NN=C3C(=O)N(C1=C(C=CC=C1)[N]23)CC5OCCN(C4=NC=C[N]4C)C5,SCGCJHQAKAUIEE-UHFFFAOYSA-N
-CF2C3186B276AA18_B83719017D5B07AC_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCN(C3=NC(=C(C=C3)N)C)CC4,OICZVAHLQMTBJE-UHFFFAOYSA-N
-D05CFC47BA41A15F_C5DE49892216F897_6041_UN,OC(=O)CC2=C1N=CC=CC1=C(C=C2)NC(CC3=NC=CC=N3)C(=O)O,VZRQFHZMHACRTR-UHFFFAOYSA-N
-D1CD7FAFB4F945B2_C8D867BAF53280F2_6034_UN,NC1=C(C=CC(=C1)F)C2=NNC(=O)N2CC3(CN(C)C)COC3,OSILRHCQQFWDFC-UHFFFAOYSA-N
-D2661B2CC0ED65F1_0D4C2F6E34A98213_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,CMUJTROWVGMEPA-UHFFFAOYSA-N
-D2A998548922FC3C_DF9D312162002C16_6038_UN,C[N]1C(=CC=N1)[C@H]2[C@@H](C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,ONUFHOCCWVLVGZ-RMPUTMTLSA-N
-D3A916BE0098F336_77087F145A666F23_7017_UN,N5([S](=O)(=O)C2=C1C=CN=CC1=C(C=C2)F)C(C3=CC=NC(=N3)N4CCCC4)CNCC5,YLEATVZHYJIFPO-UHFFFAOYSA-N
-D422A40C960927E1_8FD89724E87F5CAB_6041_UN,C1(=NC=C(C=C1)C2(CC2)C#N)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,PSVBUHABFAUYDW-UHFFFAOYSA-N
-D431CDAA7690E499_06662FA81B925C48_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(C)C(C4)[N]5C=CN=C5,HTPLPSZVZUOMMF-UHFFFAOYSA-N
-D556A197DDC071A7_FB996A9DCD9F5757_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2C)C(F)F)(=O)=O)C3=CC=CS3,CMAKGTDAQUUPDP-UHFFFAOYSA-N
-D5DF789B4E05C851_769755A8FCDA8BB4_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,PORRDPGVWBJEHP-UHFFFAOYSA-N
-D61623CE77317D29_FDBF1AEEC711A2E9_7017_UN,N5([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)C(C3=CC=NC(=N3)N4CCCC4)CNCC5,LUEMEXXAECLJJB-UHFFFAOYSA-N
-D621AA33424EF85C_1D393BDB4E225DBF_6038_UN,N(C1=CC=C(C=C1)N2C(NNC2=O)=O)C(=O)C3=C(CCC3)C#N,QAKCXEQJOCFQDN-UHFFFAOYSA-N
-D6E0AB725B6211BF_E7D96EB28C1AED6A_6041_DP,C[Si](C)(C)C#CC1=NC=C(C=C1)NCC(=C2CNC2)F,RSYVGBVSRPSFCX-UHFFFAOYSA-N
-D8DDF93FD3897779_E7DDBED3FB64DE9E_6039_UN,CC2OC(=C(OCC(OC)CC1=CC=CC=C1)C2=O)C,MHXDJHZWKWBHRC-UHFFFAOYSA-N
-D94D4C60CD9EF82C_9CAFB6E3493C1B3B_6038_UN,CN(C)C1=C(C=CC(=N1)C)NC(=O)C2=C(CCC2)C#N,UTEFIQRTNHTAPL-UHFFFAOYSA-N
-D977F8F514078052_45D128DFD32C1308_6041_UN,FC1=CC2=C(C(=C1)F)C(=C(C#N)C=N2)NC[C@H]3C[C@@H](OC)CN3C4=NC=NC(=C4)N(C)C,BAYOKGDRZQHSJL-HZPDHXFCSA-N
-DA9B982B5CC29F93_5844E5F8BE067D2D_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,WGFGADHSKQWXGG-UHFFFAOYSA-N
-DBE61751F8336E51_464772D1246A711A_6039_UN,CC3=CN1C(=NCC(C1)OCC2=CC=C(O[S](F)(=O)=O)C=C2)C=C3,MCOZOOSORCNCSH-UHFFFAOYSA-N
-DC32A771F73049D0_1E5CDBC5C4878B5C_6041_UN,FC1=C(C2=C(C=C1)C(=NC=N2)NCCN3CCN([S](C)(=O)=O)CC3)F,YGTPBHXAASRFTF-UHFFFAOYSA-N
-DC7F96A7A90525FB_9D89B6863336E6EC_6029_UN,C1CN(CCN1[S](C2=CN=C[N]2C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,ZZWFMJOSXHNYDM-UHFFFAOYSA-N
-DD2C2171AB39609E_1249835CE5124CEA_6038_UN,COC(=O)[C@@H](NC(CC(OC)(C)C)=O)CC1=C[NH]C=N1,LRKLYQSODGPFRR-JTQLQIEISA-N
-DF00B1FE9B95B8E6_C1EB85D7748C6441_6038_UN,N(C1=CC(=CC=C1)[N]2C=NN=C2)C([C@H]3N(C[C@@H](OC)C3)C)=O,YANCVZDUYNQAOU-KBPBESRZSA-N
-DF70E4296D4D8669_87393244A2F0896F_6038_DP,N(CC2=C[N](CC1=CC=CC=C1)N=N2)C(C3=CC=CC(=C3)C(O)=O)=O,GBSMZEYGGVWRTA-UHFFFAOYSA-N
-E155E7A0CE1EF5F0_729A7E4D67F25BDB_6041_UN,C1(=NC=C(C=C1)C2(CC2)C#N)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,PSVBUHABFAUYDW-HNNXBMFYSA-N
-E287AE74DBF35F3E_3DCFABC5F6A3A493_6026_UN,ClC2=C1C=C(SC1=NC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,QDRJVTQAJAMEAM-UHFFFAOYSA-N
-E39F0323C2BBB631_4D6017239054E242_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)Br,OCFFJCIZFOHQHG-UHFFFAOYSA-N
-E55DF931A402F78C_10C9FD0B94A87F32_6038_UN,COCC(NC(CCOC1=CC(=C(C)C=C1)C)=O)C2=NN=N[NH]2,HNZOYQJEDKFLND-UHFFFAOYSA-N
-E6106CB302FA70E4_F1852E86705132F2_6038_UN,N(C(C1=NN=N[NH]1)C2=CC=CC=C2)C([C@H]3N(C[C@@H](OC)C3)C)=O,NHAWYVALWIFWLU-VYAYZGMFSA-N
-E645C48DF7D3A01A_C22B6A71DECD473B_6026_UN,CC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)F,YPIXHFGFTRDYPC-UHFFFAOYSA-N
-E6DE4D900DC6DBD9_947CA3F5A11002EE_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCC(C3=NC=C(Br)C=C3)CC4,CSWKQGMPKRHWFB-UHFFFAOYSA-N
-E7A851DC84DC9893_72876FF5120281B3_6041_UN,CC1=C(C=C(C(=C1)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F,DUSZLLAJJQZCGL-UHFFFAOYSA-N
-E86BC0A286A6128E_82667F5BBAF319A9_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CCCC4,NFJASBZZZPZTFE-UHFFFAOYSA-N
-E9534C674B504688_0BFF1E168A7D737A_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(SC)C=C(C=C3)F,PAGFPWLJBGFSAJ-UHFFFAOYSA-N
-EAFC02E6B4E0B1A5_2A53C8BA312D5E16_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,ZCPOMMRSTKQWRM-UHFFFAOYSA-N
-EB36C3DFF33260ED_DB35E642CB4AA76F_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,BKDAFJIUMFMKAQ-UHFFFAOYSA-N
-EBF209934F4198D3_372C118113D1FAF4_7022_UN,CC1=C(C(=C(C=C1)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F,UJLSCIJSXDOFGH-UHFFFAOYSA-N
-ED11D3C8E42E5E30_01A07F0E9C2ADA16_6031_UN,O(C(=O)C2=CN1C(=NCC1)C=C2)CC(CN(C)C)(F)F,HTIGIWNENBSSRX-UHFFFAOYSA-N
-ED963B00360F3B3C_17AE774103E20D08_6026_UN,C[N]2N=C(C1CC1)C3=C2N=CC(=C3)[S](=O)(=O)N5CC=C(C4=C(F)C=CC=C4)C5,FAUUVJGEFASASB-UHFFFAOYSA-N
-EDB01AC272A8046E_FC2D7BD235BC15B8_6029_UN,OC1CN(CC1)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O,YAPDLUUJRWXIAF-UHFFFAOYSA-N
-EDC03C17AB229DC4_6636F9D5EAB9A82B_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,KUCXWTNSVZMKFG-UHFFFAOYSA-N
-EFEA42F07ACCF021_5213CD40C61C9DBC_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)C5=NC=CN=C5,MWKFWGFZSXHKEI-UHFFFAOYSA-N
-F181CA43C5DF5CA8_863CAB13EC295EDD_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(OC(F)F)C=CC(=C3)F)(=O)=O,BFSOGEZIDJDBGB-UHFFFAOYSA-N
-F1EF84180BC9A7A7_5F6DA28F8943F422_6029_UN,N([C@H](C1CCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,OHQKZHBSRGPSNB-JOCHJYFZSA-N
-F3075F7366186F85_67777F48116C8298_6038_UN,N(C1=CC=C(C=C1)[N]2C=NN=N2)C(C3ON=C(C(OC)=O)C3)=O,WWZMECJHMKWGLV-UHFFFAOYSA-N
-F38532B7147F6634_87A31FF4C45014A6_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCCC2Cl)C=C3)(=O)=O)C5=C4SC=CC4=NC=N5,OBYMYKVWFUYYSQ-UHFFFAOYSA-N
-F415D32E5D69757B_331FD43F2AA0FD93_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)(C)C#N,RDSKCYFXPNZBCA-UHFFFAOYSA-N
-F4A8E699C80F8686_943FA78C1FBFBBDB_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)NCC3=CN=C(N2CCN(C)CC2)C=C3,QESDREURFCNSJQ-UHFFFAOYSA-N
-F5A7DE472EEE2837_D5B7430F11D8A623_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3N=CN(C)C3)=O,CQNHPXKORGBNQZ-LSLKUGRBSA-N
-F6129AACC3AD1BE3_F840E6D285931357_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N3CC6(C5=C(C3C)C=C4OCCOC4=C5)CCCC6,YCFYWBGYPRXXJH-UHFFFAOYSA-N
-F68D5295E793BD00_87BFB6FA46974273_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,QZXRAMNYZZUNEI-UHFFFAOYSA-N
-F6D87B47DEE6051D_2E416E7B09FEF3C8_6038_UN,CN4CCCC(OC(=O)C1=C(N=CC=N1)C3=NC2=C(C=CC=C2)S3)C4=O,XYBKUYXUVHTAJR-UHFFFAOYSA-N
-F6F01B690B1423F6_F08465B7D74B1B33_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CC3ON=C(CC)C3,MDAXEWMXYSXVGA-UHFFFAOYSA-N
-F7BE59693C0029F6_F28C43C01FCEE8E5_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCCN(CC4)C5=NN=CC=C5,ASDVRZDZMPUOPZ-UHFFFAOYSA-N
-F7E945BED8927601_4CBB3DA17836F84B_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,DXQKCEWKBCXNLE-UHFFFAOYSA-N
-F7FFDE58257F5C7B_B305C8B39170120E_6006_UN,CC1CN(CCN1C)C2=NC=NC(=C2)C3=CC=C([Si](C)(C)C)C=C3,APMJRGDMCWLRIV-UHFFFAOYSA-N
-F96D0FFEF94B5043_C4418A2CAE37ED85_6041_UN,CC1=CC2=C(C(=C1)C)N=C(C=C2C)NC4C[C@@H]3OC(O[C@@H]3C4)=O,IBFAOJCZMMUTRZ-LQDVMPOASA-N
-F96F144A545F133D_BDE8D2B7BCD9C5C8_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC4C3=CC=CC(=C3OCC4)C,XORPOFHFEJKSSN-UHFFFAOYSA-N
-FB2D84C237D154AE_DDA26757BED250BD_6041_UN,COCC1=CSC(=N1)NC2=CC(=C(C)C=C2)N3CCOC3=O,DFSMPOWVBICEEE-UHFFFAOYSA-N
-FBF83D028DB19A9D_0CB2553220DEF5FF_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C(C(C)C)[N]3C=NN=N3)=O,IMDVIDKNSYLOLB-UHFFFAOYSA-N
-FE36FD155F2610E1_3029613488A186E2_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4=CC=C([S](N3CCN(C)CC3)(=O)=O)C=C4,SLUWPIQKHPEYDH-UHFFFAOYSA-N
-FF6DD222A8185B9E_FF3BA8CF3FE66D27_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=N[N]3C4CCC4,LYUZMLHIKXDHBJ-UHFFFAOYSA-N
-FF7038464CAAABFD_F0F6B8B4B804879C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=CN=C(N=C2)N3CCOCC3,PCFLOACFCUNOIP-UHFFFAOYSA-N
-rxn:1:51305:27190,O=C1CC(c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CN1c1ccc2c(c1)S(=O)(=O)C=C2,IYRIKJFZHNLWJJ-UHFFFAOYSA-N
-rxn:2:91308:140418,CCC(Nc1c(C2CC2)c(C)nn1CCN(C)C)C1CCC(F)(F)CC1,ZFCCKXPDPWZUHN-UHFFFAOYSA-N
-rxn:2:93320:125295,CC(CCNC1CC(CS(=O)(=O)F)C1)c1cccc(C2CCCN(C)C2)c1,GYVVISHCWPRGHT-UHFFFAOYSA-N
-0088BA354AA98C15_B8D3E5ECEBEA06E1_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCCN2C4=C3C=CC=CC3=NC=N4,GDAVEDIBLQXXOY-UHFFFAOYSA-N
-010D465CB9960C8E_6FB4835749A98D98_6041_UN,OC(=O)C2=C(C=C1C=CC=CC1=N2)NCCC(N3CCN(C(C)=O)CC3)=O,DROLLGFRUWRSON-UHFFFAOYSA-N
-016BD8A4E5C54FDB_6C0B30B47B960B9E_6038_UN,CC1=NN=C(C(=C1)NC(CCCN=C(N(C)C)N)=O)C,AEAOGCMZUNEHPM-UHFFFAOYSA-N
-02BB9C05EB44EFAE_9248513F55F59AAD_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3)[N]4C=NN=N4,UIAJFXVSCQZCMF-UHFFFAOYSA-N
-041C1978C0BA6913_AF3EE0BCEDAD9929_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C(C3=NC=C[N]3C)N)CC4,LWXQKWCUJLQRJM-UHFFFAOYSA-N
-04A5BA08449B1BC5_851F2B40ABC8F505_6041_UN,OC(=O)CC1=C(SC=C1)NC(C[N]2C3=C(C=C2)C=CC=N3)C(=O)O,VENFJJVHDAAPSV-UHFFFAOYSA-N
-05230BC59E8A6FBE_0BE1FA705F9C376E_6039_UN,CC1=NC(=NC(=C1)COCC(N2CCC(C(N(C(C)C)C)=O)CC2)=O)C,HFCWGSGYPVRQOZ-UHFFFAOYSA-N
-0610FE889DC74897_4247229AE25BBD5E_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CCC3)C4=NC=CC=C4,UCCJDVSMZDULIL-UHFFFAOYSA-N
-06A6BBB98271DDE7_687239669649167F_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,OUWHFHDBADIZDN-UHFFFAOYSA-N
-06AC08948033BB62_3EF26A09B849AA87_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC(C(CC)C)C(=O)O,ODFVTMSGVQLJDM-UHFFFAOYSA-N
-06E33592F4ECD44D_E5A524942704391C_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)CC4CCC4)(=O)=O,OMZGDAWOMLDHLF-UHFFFAOYSA-N
-0715CE5740671544_87A535182356F4B8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC(C)C3=CC=NC=C3,KYZMKIHULQOTIT-UHFFFAOYSA-N
-0728740ADC850AE3_3DBB1B7337A56F44_6031_UN,O(C(=O)C1=C(Cl)[NH]N=C1C2CC2)CCC(C(OC(C)C)=O)(C)C,XTCNDMKLTUTEMV-UHFFFAOYSA-N
-07CB61735D0A64AE_294E460E7FE75B5C_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4,SNBJSRGLCAJSEI-UHFFFAOYSA-N
-081FB45EAE416839_C9895EE7931C5A12_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C(N=C2)F)O)(=O)=O,TYTIBTJEAMXNTP-UHFFFAOYSA-N
-08312D9E05BF814A_F30FA05435928B2F_6038_UN,CC(C)C(NC(C1=CN=C(C(N(C)C)=O)C=C1)=O)C2=CC3=C(C=C2)OCCCO3,OZRUSRVXOPNQOP-UHFFFAOYSA-N
-08833612C340B6E1_2BD12DD0A1B03A44_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C=CC=C3)C4CC4,OLBGWMKZHFVOQU-UHFFFAOYSA-N
-0AAA96BB130040D1_6A353049396CE608_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=CC3=C2OC=C3)(=O)=O)C4=NC(=CC=C4)C,HYYSJXPSKJSETH-UHFFFAOYSA-N
-0BEC09D9C006A0EE_C4F50A469114A4CA_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)C(C4=CC=CC=C4)([P](=O)(O)O)[P](=O)(O)O,HEFOLKWHNJTEDC-UHFFFAOYSA-N
-0C05F65DC3DA54BA_E511F8977FAAC743_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)C4CC4,VYXPNHUBLHCOTF-UHFFFAOYSA-N
-0F7056165227F1A4_FE40B3CE0C8FC699_6038_UN,CC1=C(N=CC=C1)CCOC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,MDCVNIPVBJOBCL-UHFFFAOYSA-N
-0F78C5F54E1C786E_525895510A5E04FE_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,ZDJNRCSYFJARDF-UHFFFAOYSA-N
-104BE1458AE23ED2_5AF0E7377918EC0E_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=NC=C[N]3C)CC4,PYIFNFJKIHXBBA-UHFFFAOYSA-N
-109B1C6CDA672199_F7D2CD712362A3D0_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CN=C(OC(C)C)C=C3)(=O)=O,ABNNMRUHXCASAS-UHFFFAOYSA-N
-121F1966DB0BF14C_85738525307C9591_6029_UN,CC(CO)C1CCN(CC1)[S](C2=CC=C(OC(C)C)C=C2)(=O)=O,DXOHPVZWJRGWLN-UHFFFAOYSA-N
-13302906D2B8A5BA_2CD940892F780552_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC=CC4=C3OC(=N4)C,AYSUYWUCJPCXFY-UHFFFAOYSA-N
-14E50ACB457A43AA_9A6D1697E8AC2099_6038_UN,CC1=C(C(=C(C=N1)[N](=O)=O)OC([C@@H]3[C@@H](C2=CN=C[N]2C)N(C(CC3)=O)C4CC4)=O)C,SBANIAXZRDOBHK-KSSFIOAISA-N
-168722D78B5C1F63_0C2DD7173F4AA523_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,BZPWXSLBLHAHDV-UHFFFAOYSA-N
-16A6FF772D6C2F36_8571B3E0BFA4E097_6027_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(C)C=C3)(=O)=O,URLJFFKOEKKKCU-UHFFFAOYSA-N
-174B89DC478739BA_E4D120C718FC16A6_6028_UN,OB(O)C1=CC2=C(C=C1)C=NN2[S](C4=NN=C(C3=C(C=C(C)C=C3C)C)O4)(=O)=O,FQRUFUKNYSAKAS-UHFFFAOYSA-N
-17C542037E73C6C3_ED6327DFA6C3E8D6_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,UISGSOWCKYPKDQ-UHFFFAOYSA-N
-18A9861A116965F4_BF94675BAFDAE5E2_6039_UN,C[C@@H](OCCC(N(CC(OC)=O)C)=O)CC1=CSC=C1,WDXZEDZFDRAKIG-LLVKDONJSA-N
-18E9CAC680840C58_5284B821DFD52B5A_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(C3=C(C)[NH]C(=C3)C#N)=O,SQFUMBBNFKCAHH-JSGCOSHPSA-N
-19EC576EFE26D782_51339B7E6F820422_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCOCC3C4=CC=N[N]4C,DNCOKQDSLFSUEZ-UHFFFAOYSA-N
-1A097B365D0781C1_45742C206894021E_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCC3)C)C4CC4,WQMNSWIOWGQLBF-UHFFFAOYSA-N
-1ACBDF0C7ECB025C_F2115449BA36242C_7017_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CC(N)CC4,ORSQURABVRVKRZ-UHFFFAOYSA-N
-1B1707A4BD90566E_8CA3C87781A8225E_6038_UN,CC1=CC(=O)NC(=N1)N2CC(C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,MJTGRKCBODCUGH-UHFFFAOYSA-N
-1B3C7219BB6E94D1_3D68468EF7A1749D_6003_DP,OC3CC(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3,ZJFJNGYTGRVKCT-UHFFFAOYSA-N
-1BEA1D355E70B26D_C06B80F11DDD098A_6038_UN,CC1=C(C=C(C(=C1)F)NC([C@@H]2CN(C[C@H]2C)C3=NC=C[N]4C=NN=C34)=O)[N](=O)=O,GDBNDIMWAZIVGD-VXGBXAGGSA-N
-1DD81C0DC9820344_522DAA8A1DF8FABB_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(CC3CCCC3)CC4=CC=NC=C4,DZFXHLCPFHUTLP-UHFFFAOYSA-N
-1E806C54DBE97CED_7F56E2A4C0361CE1_6031_UN,CCCNC(C(C)C)C(=O)OCC1=C(C(OC)=O)SC=C1,FXNLXBCIIVDSRZ-UHFFFAOYSA-N
-1EB1AE82EC5238C8_058F19481E13C120_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)N(C)[S](=O)(=O)C,ZLVYYIIMLHNKJR-UHFFFAOYSA-N
-1EB548791C26D1A2_A5A0DD8AD2EF83D8_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,HXACCIQHPKMHJE-UHFFFAOYSA-N
-1F3076A8E555D493_F0A573942A583244_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CNC4,XSARLFNGRVSUAG-UHFFFAOYSA-N
-1F3076A8E555D493_FCB65E6E0F4B0371_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CNC4,XSARLFNGRVSUAG-UHFFFAOYSA-N
-2054BD0EBFA801F5_03E925166287C8CE_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N(C(CC)CC)O,SLTSOZYEHUFWTR-UHFFFAOYSA-N
-20BE3137C8053B49_DA0E03F3C5ECE884_6038_DP,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC(C4=NOC3(CNC3)C4)=O,QXVHPDIAZUZVAS-UHFFFAOYSA-N
-2248F1A5385569A9_677D5CC74C2B482C_6031_UN,CC(C)(C)CNCC(=O)OCC1=C(C(OC)=O)SC=C1,SEMYPTBMQGWWRK-UHFFFAOYSA-N
-225A3F0979BD6CE0_42E7066768D9B10E_6028_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=CN=C(C)C=C3)(=O)=O,DNCTWNGEUALHQG-UHFFFAOYSA-N
-22C6917ACF8CE129_DC0973E92C8807BC_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC=NC(=N2)C)CC3)C,ZBYQQOHBKHBQRG-UHFFFAOYSA-N
-22D0C4DF24E5C03D_C5645E75ABA4473A_6029_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=C(C=NC=C3)C4CC4)(=O)=O,OOOSSZHHEXAXJH-UHFFFAOYSA-N
-25C49F0E81213F9B_C2F8E29144DEB8C6_6036_UN,CC(CCl)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,XPAZDOMELMBFOX-UHFFFAOYSA-N
-26BEF318AD645F27_F83B4985074DD24B_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CC3)C4CCCCC4,WKZDKOJULXGSMZ-UHFFFAOYSA-N
-2744C3BFC6811CAC_D9872F4F9A7C640B_6038_UN,CC(NC(CCC(N(C)C)=O)=O)C(=O)NNC(=O)C1=CC=CC=C1,UHFHLIZOXFZZOV-UHFFFAOYSA-N
-27F243E2EA5CCF4B_4257C6A59D0D1ACE_6038_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)C(C3=N[N]4C(=N3)N=C(C)C=C4C)=O,XTRBLDZGTBTOHO-UHFFFAOYSA-N
-28BCE0E7946382E3_95E26B5A00E88433_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=C(OC=N4)C5CC5,QPTSYZXNSBQQJR-UHFFFAOYSA-N
-291CC4C9A8ECC7FD_3A934A51E6E1099E_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OCC2=CC=CC3=C2OC(=N3)C,PXOYENVAJBOMKP-UHFFFAOYSA-N
-296262F25CD9D446_24F5F9B1C1136342_6038_UN,C[C@@H](NC(=O)C1=CC(=C(C=C1)[N]2C=NC=N2)[N](=O)=O)CC3=C[N](C)N=N3,USFSOOOCVULENL-SNVBAGLBSA-N
-2A997E40166BF081_C4F788500C521D0D_6029_UN,N(C(CCO)C1=CC=NC=C1)[S](C2=CC=C(C=C2)CC3CC3)(=O)=O,KPSHSACOVLRXDJ-UHFFFAOYSA-N
-2B3A393AC373D26C_CF5C9B4069EE960D_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NC3CC(CC2=CC=CC=C2)C3,FFCQKRJBNWNIKC-UHFFFAOYSA-N
-2BCB59EEBB56DE03_DB3DD47CC6DCD5ED_6029_UN,N(CC(O)C1=CC=NC=C1)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,AXUZVUCDQWZIEO-UHFFFAOYSA-N
-2C59CA9D8290C907_7231B9E337FD7F25_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C3=N[NH]C(=C3)C4=C[N](C)C=C4)=O,APEIQLYZTGDEFC-UHFFFAOYSA-N
-2D378A3EC5786BBD_55C6C0C866233D6A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC(=CC=C3)C4CC4,APNGXVKDSQASKX-UHFFFAOYSA-N
-2D42AE62A2B8058A_C2C3FE4445386CD8_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(N(C)[S](=O)(=O)C)C=CC=C4,FUJAUZHRNYFVMI-UHFFFAOYSA-N
-2DC3CDBA7E17E8D5_CF54AC3A74A35F13_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)CC4CC4)(=O)=O,OGEBYWVXMHZBAQ-UHFFFAOYSA-N
-2DDA074E723AFD23_7E95D49744638B01_6026_UN,CC(C)COC1=CC=C(C=C1)[S](=O)(=O)N4CCN(C2=NC=NC3=C2C=C(Br)C=C3)CC4,BACPXJGSGBXBOJ-UHFFFAOYSA-N
-2EA1789FD4263761_B3D150567314A117_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,GNWSJPWVLWAOOQ-UHFFFAOYSA-N
-2EF0BC0459357A30_9723AB459122B6DD_6029_UN,CN(C1=C(C=CC=C1)CO)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,LUSUDCJIORJSRC-UHFFFAOYSA-N
-2F307ED6A4E3584A_1C6FE5F2EA6007CE_6034_UN,C[C@H](N)C2=NC1=C(C=CC=C1)N2CC3(CN(C)C)COC3,NHMZVVRMIRKGJS-LBPRGKRZSA-N
-302066DE882D6727_C9D93F28C84F82A0_6038_UN,CN(C)C1=C(C=CC=C1)NC(CCCN2C(CN(C)C2=O)=O)=O,IDTVUPAOJSTZNF-UHFFFAOYSA-N
-30882C7B7CC93541_759D8F6231186C79_6041_UN,C1(=CC=C(N=C=O)O1)NC[C@H](CC(OCCC)=O)CC(C)C,WAEHOTVHDPWRAG-ZDUSSCGKSA-N
-3089F58CD4057837_B624E5F00F7DD17C_6038_UN,NC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,ZZJZSWZFPZJWOL-UHFFFAOYSA-N
-30C7887E857DEF36_A9A57B3C27D7E4F4_6041_UN,C1(=C(C=CC=N1)[S](=O)(=O)N2CCCCC2)NCC3=C(C)C=C(C=C3)[N]4N=CC=C4,LWHWUVKMNOQIAA-UHFFFAOYSA-N
-31A0C7F6C23B3A90_878FD4C7C8957232_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C=C2[N](=O)=O)[S](=O)(=O)Cl)C)C=C3,HKGOPKBYRDLIRH-UHFFFAOYSA-N
-32054AF1CA8F8BBF_41F1F64FC09C8677_6026_UN,CC1=CC=C(O1)[S](=O)(=O)N3CCC(CC2=CC(=C(C)C=C2)C)CC3,UXGILMKFXSIAIZ-UHFFFAOYSA-N
-325D1F6E505DDB2C_52E55C7F0AFD9DA9_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,CFEFDHJLWVWLCW-UHFFFAOYSA-N
-32828CF584A8101C_A324363876606F3D_6028_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=CN=C(C)C=C3)(=O)=O,BAQIGHRSUKZXTC-UHFFFAOYSA-N
-32BAE86E573519FB_40F58CF229D4A9E3_6026_UN,FC(F)C1=CC(=NC=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,LCGZQBHWLIEYOJ-UHFFFAOYSA-N
-3304A9BF91AD016F_975FE22C404D3112_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,KSVORGWRRUBYSB-UHFFFAOYSA-N
-3374DEEE370E1BAE_B5DF30A96E06E803_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,PXIHPLOKEXJGOM-UHFFFAOYSA-N
-33BE28C5371AF291_EB12308A989F81DE_6038_DP,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC([C@H]3CSCN3)=O,WPPUDJOQKTYBNO-GFCCVEGCSA-N
-3463A5198E75F41D_5FF251D1197C2B67_6029_UN,N(CC=CC1=CN=CC=C1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O,VZOYUVRNRZHERJ-UHFFFAOYSA-N
-35950D7B8516C8B1_F557F7A991A3C403_6038_UN,N(CC1=CC=CS1)C(CCN2C(C(=C(C)C2=O)C)=O)=O,RAZZYLSPEMQGFK-UHFFFAOYSA-N
-35D79965E6611C2C_DCE28764DA939444_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(=O)COC2=CC(=CC=C2)[N]3C=NN=C3,YCWMXNGLFXICKP-UHFFFAOYSA-N
-36B43F5D630BF33F_1DBCD7B1FD16E9C5_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,WMBXNAYJBBQRDY-UHFFFAOYSA-N
-373DF4767C27E0D8_FEFD170C1C60CA5B_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4,HEILYKMXZGEUIQ-UHFFFAOYSA-N
-37BDE94475181EE2_C740783802D2F71A_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,FFHCSSLJYYERGM-UHFFFAOYSA-N
-37D5DC90D4E548B8_8DC820E4120F2191_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=CC=C(C[N]2C=CN=C2C)C=C3,FYHCOPIJVNKNBR-UHFFFAOYSA-N
-380C7DD737230BCC_DE935619C5C32073_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CN=CC=C2)(=O)=O)CC3,UAGFOIHWQXMLEK-UHFFFAOYSA-N
-38D2E91D0907049E_7D7CF2714267DB7F_6039_DP,N3CCC1=C(C=C(C=C1)OCC2=CC=C(C[S](C)(=O)=O)C=C2)CC3,YGMTVUGCFGOEJW-UHFFFAOYSA-N
-391A38169D505465_8BDE90FCE65E3A7D_6029_UN,C1CN(CCN1[S](C2=CC(=[N](=O)C=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,MAOSEIBTOWILSF-UHFFFAOYSA-N
-39503CEE972BAB53_51DA7B181959B024_6029_UN,OC1(CC1)C2CCN(CC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,MQYJIXVGBFTCFP-UHFFFAOYSA-N
-3ABC008A79A00920_5CFA14B496E4D51B_6003_DP,OC(=O)CCOC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2,RNUJJRYGQSRVRS-UHFFFAOYSA-N
-3B12EC509D08D2F1_E713E1A37F237AF5_6038_UN,CN1C(O[C@@H](C1)CNC(C(CC)[N]2N=C(N=N2)C3=CSC=C3)=O)=O,AARCSCQHFHUGQN-NFJWQWPMSA-N
-3BE80B4B316090F0_5ED87804C965322A_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O,ICNSRWQDAQVCJD-UHFFFAOYSA-N
-3C38DC9422D832C0_04B4A83D3828A062_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=NC(=CC=C2)C3CC3)(=O)=O,HBNVBUWZRIREIR-UHFFFAOYSA-N
-3CB329EDA354D5B5_9B37B79CF3925678_6029_UN,C1C(CN1[S](C2=C[N](N=C2)C3=CSC=N3)(=O)=O)C4=NOCC4,XRKXGPVHYUBLSR-UHFFFAOYSA-N
-3D257E1AC298FDAC_3B0E74ECA5C10373_6038_UN,N(CC1=C(C=CC=C1)C2CC2)C(C3=C[N](CCC)N=N3)=O,CKYGLENHAPUYOR-UHFFFAOYSA-N
-3DD23FAD01B79445_6BB76F9EA2402AC7_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C=C2)[N](=O)=O)N(C)C)=O,TZEQQLRFEQJUIS-VIFPVBQESA-N
-3E478489D53FC069_032F6F219DA14B2B_6041_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)NC(C3=C(C)C=CC=C3)C4CC4,PNJMQTFOFZIDDJ-UHFFFAOYSA-N
-3E5517BB9A738143_DE874102C8D13601_6029_UN,N(CC1=CC=C(C=C1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,MZUXGJWWCQCJCO-UHFFFAOYSA-N
-3ECC1E6D632F7C88_DA69ADFDBCE67BF2_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)OC3=NC=CC=C3)(=O)=O)C4=NC=CS4,SEXSBKHJXHNXJX-UHFFFAOYSA-N
-3F085F53007BCCA6_6B85686E13974026_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)F)CC3)[N]4C=NN=N4,BTLGYBGWMPKZCE-UHFFFAOYSA-N
-4015F597384EB3DD_5D1E6E9FEFD2A7EC_6029_UN,N(C1(CC1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)CC4CCC4)(=O)=O,ZLMYASXNKGHBDE-UHFFFAOYSA-N
-4088F44A42ADDC8A_F8759A8E6FA30F6E_6038_UN,CC(NC(CCCC(N(C)C)=O)=O)C(=O)NNC(=O)C1=CC=CC=C1,WGMOAQDPJVTCRP-UHFFFAOYSA-N
-412183E3178897B1_0516D4E94846D397_6029_UN,N(CCC1=CN=C(C=C1)Cl)[S](C2=C(C=CC=C2)C3CC3)(=O)=O,FMPYYDYCCLSULD-UHFFFAOYSA-N
-42C036020BDB37EC_9319649DCF02EA29_6029_UN,C[N]1C=C(C=N1)C2=NC(=NO2)C3COCCN3[S](C4=C(C)SC(=C4)B(O)O)(=O)=O,LURDVJLWQMWZNQ-UHFFFAOYSA-N
-430C682EEFE0D861_6E8724CD868094DF_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCC4,SMSDYWMJPDUZNP-UHFFFAOYSA-N
-43428B6250B106D3_393EEBAC9C64D314_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=CC(=CC=C3)OC4=NC=CC=N4,CUWMSBWOXLOPBM-UHFFFAOYSA-N
-43AFA2FE176C00FA_F5A75BCA9C1332DA_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NC2CCCC2C3=CC=C(C)C=C3,DHYJPUDAASZKAJ-UHFFFAOYSA-N
-44ECC45397E7B8D6_7CCCF52394642BAB_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)NCC4=C(N3CC(N(C)CC3)=O)N=CC=N4,ZQERVFIGAFDDOL-UHFFFAOYSA-N
-44F8BCF21015FB8A_8802963FF1A142C7_6035_UN,CC1=CC(=CC=C1)N3CCC(OC2=NC=C(C=C2)[S](=O)(=O)F)CC3,KIUMDWMDGUWSFE-UHFFFAOYSA-N
-452F9EFAD5A2D02E_5777CD6057801399_6041_UN,C2(=C(C=C1OCOC1=C2)CC#N)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,UGJSLEHAHWJFMB-UHFFFAOYSA-N
-453FFDE862CF86FA_0DAF47238DA7DC75_6028_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=NC=C(C=C2)Br)(=O)=O,BYPXTDBENNSNJZ-UHFFFAOYSA-N
-455D17A768084E74_6AC3AC83206BA6E6_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=NC=C4)[S](C)(=O)=O,ZZFCRBFIAQOFLP-UHFFFAOYSA-N
-48A8CD2368EDE20E_CCC87D3E4E7C34BA_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,OPCVRTLYKQKPEM-UHFFFAOYSA-N
-48B810632392B013_0D1C371BDF2C388D_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3=CC(C)CC3)=O,UVSKIMMFHGDHQZ-UHFFFAOYSA-N
-49C6DB68CF64E386_3535095E254584EA_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3CC3)C4=CC=NC=C4,KZHDAZXJHZQFAL-UHFFFAOYSA-N
-4A161ADA84F8C734_9EA51688D306B678_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)F,RBXMGOZAQGPSBY-UHFFFAOYSA-N
-4A28C5B8E4AD1E21_85FD521681344B2E_6031_UN,CC1C(=C(C)N(C)C2=NN=N[N]12)C(=O)OCC3=C(C=C(C=C3)B(O)O)Cl,KDKKJXFWPIWAIK-UHFFFAOYSA-N
-4A460372D96C42BF_5AECA105A8373116_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)OC(F)F,BFDRDLRYJQVARS-UHFFFAOYSA-N
-4B166420CC6B0708_6EE87AE9F9CC1FB0_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=NC=C([N](=O)=O)C=C3)(=O)=O,VDDCTTRBYOZONG-UHFFFAOYSA-N
-4B19DAED02B891BE_14103FDA0218988F_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,MVKQOCWOTFDYBU-UHFFFAOYSA-N
-4B2475EDAA06C9B5_F39AC39B4E787C41_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CN=C(C=C2)C3CC3)(=O)=O,CNMHOVPDMORVCS-UHFFFAOYSA-N
-4B3D12FA28CA7D64_1CA4B51496DA5A0D_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCC3)CC4=C(C)C=CC(=C4)[S](=O)(=O)F,JUSFTXWFTKEEEA-UHFFFAOYSA-N
-4EB260BCE477C228_813B3F1A76E62F09_6038_UN,CC(C)OC1=C(C=NC=C1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,BPNBIESNRRFIQD-UHFFFAOYSA-N
-4F5EB677E6DEE6C4_E210FC426E6B53E1_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N2CCC(=CC2)C3=C4C(=CC=C3)C=CC=C4)[N]5C=NN=N5,UITLNRQIXUHKJW-UHFFFAOYSA-N
-4F79164A6246F56B_CA7BAFA8DB4FCB75_6041_DP,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC(C(O)=O)(C)C3=CC=CC=C3,BTJYBZVYGSKGJC-UHFFFAOYSA-N
-4FCF067F27A530E5_AFC2392903DB0B8D_6027_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=C(C)C=CC=C3)(=O)=O,KMCLHGZYQVAUIP-UHFFFAOYSA-N
-501177956DC668D3_F3A9623689B99A31_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,XWFYWWDOIFCXDJ-UHFFFAOYSA-N
-505A8ED8B4C51176_49DC647EB84E7D7A_6029_UN,CC1=C(C=CC=N1)CCCN[S](C2=C(C=CC=C2)C3CC3)(=O)=O,GAHMQIZQNLMVOD-UHFFFAOYSA-N
-528AC0F370FDA49C_5A73E744B72C618F_6035_UN,O(C1(CCNCC1)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)O[S](=O)(=O)O,BISNROQEGQOUIW-UHFFFAOYSA-N
-5381EFD870ED61C4_1B0CDB2DA4BC3450_6029_UN,N(CC(O)C1=CC=NC=C1)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,FAOAFKJLNMZBIX-UHFFFAOYSA-N
-552FF8C80EA73DC1_AFD9497AEE410522_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,YXYFTCFDOCVYBQ-UHFFFAOYSA-N
-5576F2FBAC7CD3F3_FB33ADAD918C8B32_6038_UN,NC1=NC(=N[NH]1)C2=CC=C(C=C2)OC([C@@]34C[C@@H](C)[C@@H]3C4)=O,IZLOZYSHRKYQFR-OTDPEBBPSA-N
-5773859AD189CA38_8F4EB351AFB40238_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC(C)C3=CSC=C3,FUKXWXFUOTYNTI-UHFFFAOYSA-N
-57B61A2E418609BA_C575FA608E93B8B6_6029_UN,N(C1=CN=C(C=C1)C#N)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O,PUGMVSGBDMXIPW-UHFFFAOYSA-N
-58A2F50D23810B05_884D3BCAE471C090_6038_UN,NC1=C(C=CC=N1)COC(C3=CC(=C(N2CCN(C)CC2)C=C3)[N](=O)=O)=O,IRJLBKVREGIXJD-UHFFFAOYSA-N
-5CAD7E6A2595A031_CC3D5F6DF0367726_6031_UN,CCOC(=O)CON=C(C(=O)OCCC(N(C)C)=O)C1=N[NH]C=C1,YQFGPQNHLXTBOE-UHFFFAOYSA-N
-5CF4F3B9799CEB55_6350E20D3CABC4B3_6029_UN,C1C(CN1[S](C2=CC(=CC3=C2C=CC=N3)Cl)(=O)=O)OC4=NC=CC=N4,XAHDXIIEDNCACB-UHFFFAOYSA-N
-5D57BA5BFDFF01C1_498A361C84C2D51C_6038_DP,N(CC1=CC=C(O1)C(=O)N)C(C2=COC(=C2)C=CC(O)=O)=O,GCXSUONBONXADF-UHFFFAOYSA-N
-5F458A7AC20664ED_1642A636F85A0BFF_6036_UN,C(CC1=C(C=NC=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JERUGKXPZQXFCI-UHFFFAOYSA-N
-603844A94D70EFC7_BC362E77B381C6ED_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,IFCARCVDCLSTBI-UHFFFAOYSA-N
-60B449D488594E53_458B93B2549F282C_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,OOGSFPVAALTJRI-UHFFFAOYSA-N
-61002EEA4AD45F10_DE120B5685B6F9B2_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,GBCIDENETHGAOF-UHFFFAOYSA-N
-61422E1D90576F34_3152C1A1768D7D59_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=CN=C(N2CCC(C)CC2)C=C3)=O,RBWZIVTWURHBAK-UHFFFAOYSA-N
-6143EEAFAE20F44F_AB2AA80DC4787F97_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(C(C(C)(C)C)=C)=O,RYQGMCVKPVDHLX-QOOHGWKCSA-N
-6189165DEA8624B9_95298EA0D590CDA3_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,PPPWVBBCQAZVQF-UHFFFAOYSA-N
-61AA707C07144492_9BD3ED5DEE43B9E9_6026_UN,ClC1=C(C=NC=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,LZEAIDYOBYEIPH-UHFFFAOYSA-N
-623DE09A0ED5E24A_740BF50F19AB138E_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=NC=C3)C4CC4,PMTLUJKXNDELED-UHFFFAOYSA-N
-636843F5AFC47193_2F487314C60044D4_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(C(CC)(C)C)C=C3)(=O)=O,NNMNYMUQNXESDJ-UHFFFAOYSA-N
-642A83437A1DB4C7_A01BBDA014025483_6029_UN,N(CCC1=CN=CN=C1)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,BIVKMAPOMMIGLX-UHFFFAOYSA-N
-646839A40C8917CB_98471F22CFDC9051_6036_UN,C(C#CC1=NC=C(C=C1)Br)N([S](=O)(=O)C2=CC=CS2)C3=NCCN3,DBKTWEURKPULGR-UHFFFAOYSA-N
-6495662ACC869471_4B2220088BBA5C0C_6041_UN,CC1=NC=C[N]1C2=NN=C(C=C2)NC4C[C@@H]3OC(O[C@@H]3C4)=O,UXYQPHFBAGPPOM-FGWVZKOKSA-N
-68BBC58994D011C1_8D5C9D231D2AC5DE_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=C(C=C3)CN4CCOC4=O,OBVCSYSYGDVYKE-UHFFFAOYSA-N
-68EF0073E9D4E98C_8B85EB19DBF85456_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CN([S](C)(=O)=O)C3,BXGMEOHJGNXLAN-UHFFFAOYSA-N
-6A00A1BA12CF24BD_4CEB1BD125539BD0_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,JXWRGEFLZGQFQR-UHFFFAOYSA-N
-6C2FEBFFF6C55DE1_3C000862E29F807D_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,DRDCKYKVUMYBQE-UHFFFAOYSA-N
-6C676A329B331C02_2EF3D3E3DED71C0F_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCCSCC3C4=C[N](C)N=C4,IGLVSSRRAYQXAR-UHFFFAOYSA-N
-6D6248D934718D57_E5DE4010B5F00D12_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C)C=C(C=C2)F)CC3)C,UWXJKQHHFGECJU-UHFFFAOYSA-N
-6FAFF80D53B41978_4F987675F476E5F7_6038_UN,CN1C(O[C@@H](C1)CNC(C(C)[N]2N=NC(=N2)C3=CC=CC=C3)=O)=O,QCYUYCCWWPHKAH-TVKKRMFBSA-N
-71686C6ABFBC9897_2FBCAB9117A8A2D8_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,WYAHXRYMIULQAY-UHFFFAOYSA-N
-71B79536F5BA6704_FC7C7D0B7F3881EF_6029_UN,ON(CC1=NC=CC=C1)[S](C2=C(N=CC=C2)CC3(CC3)C#N)(=O)=O,RGVIZFHBJYTUDF-UHFFFAOYSA-N
-71C4F6EFD57AFCAE_4977357455EAED87_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NC(CC2=CC=CC=C2)C3CC3,PARJBJFMADCUJE-UHFFFAOYSA-N
-7258E13D4A97C830_041948E83B828D74_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC=C(C=C3)[S](=O)(=O)C4CCCC4,DOPPSQLLGBWGBB-UHFFFAOYSA-N
-7320985937577D29_FFDFA60D6016117C_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3,COXNKMCGWLDNFW-UHFFFAOYSA-N
-7394416790AC8F25_915AEF5507AD589E_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(N=CC=C3)OC4CCCC4,DTYCXCCHYOMAHG-UHFFFAOYSA-N
-73DCBC9D4714E763_96232FD1E34BB1AA_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=N2)C(C3(C(N(C)CC3)=O)C)=O,NCHQYRFFIJJHCZ-UHFFFAOYSA-N
-74239CF5BB331A14_A904F929BEA61680_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(N)C=C3)CC4,RYRBSUVQPXBNGV-UHFFFAOYSA-N
-748A8E19E294B824_EF88D77176F23F67_6029_UN,N(C1=C(C=CN=C1)C2=CC=CC=C2)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,KSBGRTHQPSQIKQ-UHFFFAOYSA-N
-74B772CB3A4F5AF2_4466AFEB351FA263_6026_UN,C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,WMODKORJYBBHED-UHFFFAOYSA-N
-7520D77CCC8AC20A_A627D77D5A45CD74_6029_UN,CC1=CC(=CC=C1)C2=C[N](N=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,YPLQDCLWPIAOIF-UHFFFAOYSA-N
-75702DB66900F1F7_8F0C1DD1A2F0C68E_6029_UN,N(C2=C1C=NN=CC1=CC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,QZHAZEXAAMBJJU-UHFFFAOYSA-N
-7644AB856C4243C0_3A0829401C88FA0A_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)C5CC5,VNZQACDLSLPUJQ-UHFFFAOYSA-N
-76C30F1D9FAB89A9_186CF0BFA8832421_6028_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=NC=C(C)C=C3)(=O)=O,WQHSKEQIQOJFEN-UHFFFAOYSA-N
-7731AF6FB3CFAB7B_6F8F5EF82629A197_6026_UN,CC1=CC(=CC=C1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCCC3,QJGOFPZSKYVLMR-UHFFFAOYSA-N
-79C3232969ECD5E8_5D750F51AF258E14_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)O)O,UMZSNHMJCKVVMG-UHFFFAOYSA-N
-7A88287525B1C0C5_F1DA2E31A9715C5E_6038_UN,CCOC(=O)C[C@@H](CNC(CC1=C(OC)C=CC=N1)=O)CC(C)C,HWAUUWMLTCLSKS-AWEZNQCLSA-N
-7AF96CA9EF8C4060_193F75FB457A3A7B_7005_UN,[NH]2C1=CC=C(C=C1N=C2C[S](=O)(=O)C3CCCC3)C5=NC4=C(C=CC=C4)S5,JFFPEESVQGLSKY-UHFFFAOYSA-N
-7C981B6CC23B0732_D3F613E0F011D068_6039_UN,CC(C)(CCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)C#N,YMFAIKKZHADGSX-UHFFFAOYSA-N
-7D55E78A54BDFBCD_300869CE67A59BCC_6006_UN,C1(=CC(=CN=C1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C)OC3CCCC3,DWSXFPMWWIPPDV-UHFFFAOYSA-N
-7D79FE3D17AE1E85_415F750BAF22C9E8_6041_UN,SC1=NN=N[N]1C2=CC(=CC=C2)NC4CC(N(C3=C[N](C)N=C3)C4)=O,KFKCOELCYHIBAZ-UHFFFAOYSA-N
-7E0669B468171320_C3101EFD501879B5_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)Cl,SKYCBLJLKPGDNT-UHFFFAOYSA-N
-7E95F3F4D33A9337_0AB636845E64AC02_6029_UN,N(C1=C(C=CN=C1)[N]2C=CN=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,DCEVDHIOMBRISH-UHFFFAOYSA-N
-7F80040744DDBE0B_86353845C9312DC1_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4,HWXYKQOZKYCYBE-UHFFFAOYSA-N
-80A2C46CA5C057C5_A329205E3E5C7CE1_6041_UN,CCC(C)OC1=C(N=CC=N1)NC2(CC(N(C)C)=O)COC2,KJRRSJUQQHJLNF-UHFFFAOYSA-N
-825A7AC901041BFA_9DE4394BC1EDDB73_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C2=NN=C([N]2CC(C)C)C3=CC=CO3)(=O)=O,CBSMFMPJFZWBHI-UHFFFAOYSA-N
-8407C164B89768EF_C132644F5CD2E287_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](C)(=O)=O)C=C4)F,RLIJXRHYUFAVSX-UHFFFAOYSA-N
-86A16B3BB2D2A62B_0BFE36C9FB17EA8E_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)C4CCCC4,UECKBGNRWZPTJT-UHFFFAOYSA-N
-8818FC9ADF8CB884_0E4DB84515CF24AB_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC(C)C2=CC3=C(C=C2)OCC3,LFNCXQWHLWYQSV-UHFFFAOYSA-N
-8850BADED927D0AB_2BD73B6142F2A245_6029_UN,C1C=C(CN1[S](C2=C(N=CS2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,LHELLPAAEXMURX-UHFFFAOYSA-N
-888C320323263719_63623171C5C510FA_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,ONBPCNUYIFUHLN-UHFFFAOYSA-N
-88DC8B5799CC093E_D31C79F7365B51A5_6039_UN,O(C1=C(C=CC=C1)C2=NN=CO2)CC(N4CCN([S](C3=C(C=CC(=C3)C)C)(=O)=O)CC4)=O,URFFBTTXROTOCN-UHFFFAOYSA-N
-88F9651DF1788823_380B0CE61D728BAB_6041_UN,OC(=O)C1=C(C=CC(=C1)C2=NC=CC=C2)NC3=CCOC3=O,NUMSLVSKKJZWTG-UHFFFAOYSA-N
-898F450E6A9F6059_BB1A73C8C755CFED_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=C(C)C=CC=N3)(=O)=O,PUIRDDKIDJCNDR-LSDHHAIUSA-N
-8A908357F950CDDF_9184C9DC4AF09BC1_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(SCC)C=C2)(=O)=O,JYMLYPAYSUKCBV-UHFFFAOYSA-N
-8B42E0016D0754B1_671B7E06FAEAAB90_6041_UN,SC2=NN=C(COC1=CC=C(C=C1)NC(C)=C(C#N)C(=O)O)[NH]2,VHVCHMNASYHASY-UHFFFAOYSA-N
-8CC0A679C7A191B2_787A271ED3418F02_6029_UN,N(CCC1=C(C=CC=C1)O)[S](C2=C(C)C=C(N=C2)C3CC3)(=O)=O,OFSKAHAALKNZOJ-UHFFFAOYSA-N
-8D318C3021F860F8_FBD6FAA0C3B9D0C5_6036_UN,C(C1=CN=C(C=C1)C2=NC=CC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,MODBUWOJFHTXGN-UHFFFAOYSA-N
-8EC393EE7BA07D07_85DCEF7843649651_6028_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC=NC=C2)(=O)=O)CC3,QYEBMCGKWNADJI-UHFFFAOYSA-N
-8F58DF3300D8A91D_F662E78E8DB37B81_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)Br)CC3)[N]4C=NN=N4,JZYUAVTUSJENMS-UHFFFAOYSA-N
-900BEEB3220A014D_B7475AD560260CE0_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C)C=C(C=C2)[N]3C=CC=N3)[S](=O)(=O)N4CCCCC4,ZMCDPZYZEUDSTH-UHFFFAOYSA-N
-9024B35AD66B016A_7D294EAB18353BD2_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=N[N]3C)CC4,UAPDLVWZPALAES-UHFFFAOYSA-N
-906F48B6F1E2CC2E_DC3A472ADCF0D983_6026_UN,FC(F)C1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,OVEVYFXCRFYAHQ-UHFFFAOYSA-N
-909495586DB4ADC6_080F7F988E841A44_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCC4,UZPBQDSQJFEWKP-UHFFFAOYSA-N
-91BE621A19C92475_13D23080A387A126_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C3=NC=NC=C3,XMRLDOWSEBACDA-UHFFFAOYSA-N
-920E6B5886E2122C_7D98A261105C4711_6038_UN,N([C@H](CF)C1=CC=CC=C1)C(CN2C(CN(C)C2=O)=O)=O,NZWBNIWMZCYORI-LLVKDONJSA-N
-93975D03D4490B4E_27A47E2B8A7F2728_6026_UN,C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,ONGHEUHZAIQQOE-UHFFFAOYSA-N
-93C8BD69F0D73F34_DA2F1127E81AA246_6026_DP,[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,ISRRAKRWVPXPFF-UHFFFAOYSA-N
-93CFAE1090FDC2FB_F9CF1E1E3143E946_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3=CC=C(C=C3)OC4=NC=CC=N4,ZIUHJFXARYVUMV-UHFFFAOYSA-N
-941CD2F5F29139F9_7E8E8457CF361EC9_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OC3)C=C(C=C4)F,IDDAIMBXUZESRF-UHFFFAOYSA-N
-9635DE0A206FF98C_E2DC3BA699364BDD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(CC3=CC4=C(C=C3)OCO4)CC5,BBNWSNAJKFYMHB-UHFFFAOYSA-N
-963D92C5EE2FAD9A_C2FC629D8D2D3FDA_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NCC(CC2=CC=CC=C2)C3CC3,ASUVPGASCSHSMX-UHFFFAOYSA-N
-96E945CD540404BA_D687C825116B5D27_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CC=C(C3=NOC4=C3C=CC(=C4)F)CC5,SEGMSZWIANGLMN-UHFFFAOYSA-N
-9729F51A40B84C3A_6CD01B4A38DE9032_6029_UN,C1=CC(=N[N]1[S](C2=CC3=C(C=C2)CCCC3)(=O)=O)C4=NC=CC=C4,KBCWOAVZDLROPZ-UHFFFAOYSA-N
-9729F51A40B84C3A_EADCEF690E747053_6028_UN,C1=CC(=NN1[S](C2=CC3=C(C=C2)CCCC3)(=O)=O)C4=NC=CC=C4,KBCWOAVZDLROPZ-UHFFFAOYSA-N
-979CB5019A346E53_AB141A4497150E7C_6026_UN,CC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,YOOKRKHAMUUSAK-UHFFFAOYSA-N
-982D219B2C57F362_10744C7CE3EB4E36_6041_UN,C1(=NC(=CC=C1)C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,CAIBMQXVVPPTRV-JSGCOSHPSA-N
-982EEE129E8D80F8_7DD64960A6B86BDF_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=NC=C3)C4CCCC4,AFMOQEBNWXWALK-UHFFFAOYSA-N
-983F601C3D4E3489_86A6843194DC8C6F_6029_UN,CC1C(C1N[S](C2=NC=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,ZOZDSWPOVNVBSB-UHFFFAOYSA-N
-985F5135FE13C8BE_876A9CAAEFDA9381_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4(C)C[S](C4)(=O)=O,QATHXXCDPUZSKO-UHFFFAOYSA-N
-98A79917F4211001_27EC7D918A6C1382_6029_UN,N(CC(O)C1=CC=NC=C1)[S](C2=CC=C(C=C2)CC3CC3)(=O)=O,IPPAANOIBDBZRD-UHFFFAOYSA-N
-9A53C0D4A62BE219_F84197EAF877CECA_6038_UN,C[C@H](NC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O)C(=O)N(C)C,GIZSOLOZKRSTMA-VIFPVBQESA-N
-9A8204B4112AEF0D_CB8A704BA80E7EEF_6029_UN,C1CC(CCN1[S](C2=C(C=CS2)C3=CN=CC=C3)(=O)=O)C4=CSC=N4,UXZFXUVXFVKDFH-UHFFFAOYSA-N
-9B8E753E3F77D292_315C7EA176F122F6_6028_UN,CC1C(CC1N[S](C2=NC=C(C)C=C2)(=O)=O)C3=CC=CC=C3,CNMQTFUMXXOEDF-UHFFFAOYSA-N
-9CF49AC054388FCA_E11AD415D8CECB89_6026_UN,CC(C)OC1=NC=C(C=C1)[S](=O)(=O)N4CCN(C2=CC=NC3=C2C=CC(=C3)Cl)CC4,XJEGBFFOZZCMOJ-UHFFFAOYSA-N
-9D302F7030F1964E_03DFA32849C45883_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=CN=C([N]2C=CN=C2C)C=C3,IZQSYCYVUXXXNR-UHFFFAOYSA-N
-9FD1FBB3048A79E7_4DAA570D2858AAD0_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,ZKNJQHSUBHQBSD-UHFFFAOYSA-N
-A004F54BDA9B0F5C_A418801CD03C2E7A_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(C([P](C)(=O)C)O)=O,SQGFSAQRHKHFEW-NORNJSSRSA-N
-A022D570EB3048F6_9E5454499B451A02_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CCC3=CN=CC=C3,YQXHRFKMIXSMBL-UHFFFAOYSA-N
-A3083CB7E064D0FE_DD5F8F05DDC8209C_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)Cl)CC3)[N]4C=NN=N4,HNMQAGBPSCNXKI-UHFFFAOYSA-N
-A334F63A41B2A2E0_17A3C631958E184C_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2C4=C(O[C@@H](C2)C3=CC=CC=C3)C=CC=C4)C5CC5,SQYABTKIOGRHJU-CTNGQTDRSA-N
-A3ED450383362608_DA8186030D338AC3_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4,GFPRPZARZSRWRF-UHFFFAOYSA-N
-A3FE0E7843F78197_B60DED4544FD17F0_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(N=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,LEBFXOJJXKJXGE-UHFFFAOYSA-N
-A463161C5D0C6398_4B46503EEC901A7E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4)C5CC5,VSVZVPXDNVVZMP-UHFFFAOYSA-N
-A522C71EF0A82B9E_33FE66E9A62CEA21_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCNC4,AUUJROTZMSRLMF-UHFFFAOYSA-N
-A59A6A4C5387E456_1FBA02D737298AFB_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,ZLXFPYUCUZUBMK-UHFFFAOYSA-N
-A5F089233FAB3F98_A9999521EA5C3938_6038_DP,N(CCN1C(C(SC1=O)=CC2=CN=CC=C2)=O)C(CC3(OC)CNC3)=O,WHLGPNPDTJVJHM-UHFFFAOYSA-N
-A719E16F1D85CE42_B99F78F8F5405796_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3=C2C=CC=NC2=C(C=C3)N4CCCCC4,DAGUEXWTQMCCDA-UHFFFAOYSA-N
-A7F23B29D963ED75_5EA47542281FB804_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([S](Cl)(=O)=O)SN=C3)(=O)=O,RSNKWXRWRNHOKJ-UHFFFAOYSA-N
-A8185E4F4DC95260_223095D3C3760F7D_6041_UN,C1(=CC(=CN=C1)C2=NNC(=O)O2)NC3C=CC(C3)C(=O)O,VLWORPDTEBHRLK-UHFFFAOYSA-N
-A87CA003C9317937_0F75F3ADA5B5E7C9_6041_UN,C1(=C(C=CC=N1)[S](=O)(=O)N2CCCCC2)NC3=C(C=CC=C3[N]4C=CC=N4)[N]5C=CC=N5,YDTSBJXBOJWBDP-UHFFFAOYSA-N
-A950D929013A839E_A8BF17346FF88597_6035_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C3=NC(=NC(=N3)Cl)N4CCOCC4,JHAVQFPILGFKQC-UHFFFAOYSA-N
-AD1322BFC0788D43_2F374977D961E698_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC3CNC(C3)(C)C)=O,XYFXUVFETZIVRP-UHFFFAOYSA-N
-AE4CFDC646013245_45544B98FF7B7F1E_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C4=NC=CS4,HLJKHIWZMRVXNP-UHFFFAOYSA-N
-AF6C02C740B53C19_557619E6E7D4E5D3_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CN=C(C)C=C3)(=O)=O,VHOIVKLWMTWOAP-UHFFFAOYSA-N
-B0DA346FF6576B5C_8FC203B98CD447C7_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,WQRJIYQWHYLOPI-UHFFFAOYSA-N
-B1ADFD01146B558B_885F65F09D9F6F63_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N2CC(=CC2)C3=C4C(=CC=C3)C=CC=C4)[N]5C=NN=N5,WGSDVEYOQATJIM-UHFFFAOYSA-N
-B20E8601280B5AA8_6E7471465571C80B_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,CBBMVHGXJZNHGB-UHFFFAOYSA-N
-B2D9639EBB6D5BE9_5B6C7ACE93AF07C9_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C([N](=O)=O)SC=C3)(=O)=O,XSGXZHDCSGOWNQ-UHFFFAOYSA-N
-B32D17DBB8F01C52_F6F62FD9FC0DFE07_6041_UN,OC(=O)C1=CC=C[N]1C2=C(C=CC=N2)N[C@@H]3C(OCC3)=O,RMJXKOZGPUGIJM-JTQLQIEISA-N
-B362528A538DD283_1061DB4EA4F71577_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)N(C)[S](=O)(=O)C,DQMWKAWWTHQBOM-UHFFFAOYSA-N
-B49413E97FF462A8_939A995EFC448F60_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CN([S](C)(=O)=O)CC3,MGWCWMWIYVBMMR-UHFFFAOYSA-N
-B4DC24B091A9D02B_6857DB440D9A07ED_6036_UN,C1(CCN(CC1)C2=NC=NC=C2)N([S](C)(=O)=O)CCC3=CC=C(C=C3)F,GLMZOMBLMIQFBS-UHFFFAOYSA-N
-B52586A6CC45500C_C582FAD862B8F6F1_6038_DP,CC(=C)C(=O)C1=CC=C(C=C1)OC(C(C)N2CCNCC2=O)=O,KGTNIVCVBFTAKW-UHFFFAOYSA-N
-B53D03BC586C0C01_5172702E3BC12AF1_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(C(C)CC(=C)C)=O,YWBKCRSAFVSVDE-AANAODBRSA-N
-B5A67A05D00F90DF_3BC375ADF3A26948_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=C(O)C=C3O)O,MKCWNLVRDZLCIS-UHFFFAOYSA-N
-B614964A99167B8E_AD025591150D1B9B_6028_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CN=C(C)C=C3)(=O)=O,HDMYYXVMXRAZQT-UHFFFAOYSA-N
-B73D4A4634805DE0_4A4261422B97D887_6038_UN,CC(NC(C(CCN(C)C)=C)=O)C(=O)NNC(=O)C1=CC=CC=C1,BZQJZQVKYYVSQV-UHFFFAOYSA-N
-B8A2FE1B80DD9335_2907E4B3F6E6EBAD_6029_UN,C1CC(CCN1[S](C2=CN=CC(=C2)[N]3C=CN=C3C)(=O)=O)C4=CSC=C4,UHIHGEUNESBEID-UHFFFAOYSA-N
-B8C678FCAF9B89AF_4E7223633DA84F0B_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)CC4CC4)(=O)=O,UXFNYCFMVNRWRL-UHFFFAOYSA-N
-BA75E7B01AB23B1D_0EFB0058FE528DF6_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](C)(=O)=O,NIQQYSWSCQFZFB-UHFFFAOYSA-N
-BC94A95DB874F927_0953B87C4D8F3396_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C(=NOCC(OCC)=O)C2=N[NH]C=C2)=O,YWAFXIAYJVCCAK-UHFFFAOYSA-N
-BCA16E8429E20556_E8817527C3ECB1A9_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=C(N=C(C)C=C4)[N](=O)=O,DZJYJTJZNXKWFN-UHFFFAOYSA-N
-BD84DF11DA020561_4A132E29CE40EE83_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)F,MAEXOBXUWSJIAC-UHFFFAOYSA-N
-BDCF8E79F3F4EC98_D276185FCE4DF80F_6038_UN,CC(C)C[C@H](NC(C1=CC(=NC=C1)N2CCN(C)CC2)=O)CN(C)C,CLJJNDYJOUVHOE-KRWDZBQOSA-N
-BE465E309B0258C3_21D421F5EB17B706_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,FFMWLJZDHQLCOB-UHFFFAOYSA-N
-BEDE34F176C49E7E_2CF36E04212EB846_6026_DP,[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CS4,VNCZTMSIZQIDBM-UHFFFAOYSA-N
-BF66DBB973A70C7B_6E96C53FAF8B36F0_6029_UN,C1=CC(=C[N]1[S](C2=NC=C(C=C2)C3CC3)(=O)=O)C4=NC=CC=C4,OAHIDDRDIKCARZ-UHFFFAOYSA-N
-C04211B3CDE1B383_43ED8860889C943C_6038_UN,CC1=NC(=C(C=N1)NC(CCCN=C(N(C)C)N)=O)C,BXULUSVUKRPRKF-UHFFFAOYSA-N
-C1B151FB9FBD58F1_1D1B3A29D7CCFD85_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(N=C(C)N=C2)C#N)(=O)=O,ZNSMLVBMEZCKRY-UHFFFAOYSA-N
-C21E45ABD5C0FD25_3F749591C1DF4802_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O,YNACLCOVRRRPNX-UHFFFAOYSA-N
-C29142F44EA128CA_117AE8480F685FD4_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4C(C3=CC(=CC(=C3)F)F)COCC4,ADRHWONQGPRGPP-UHFFFAOYSA-N
-C34EBDF502EC0C0F_AE2C1DAE308E6A03_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,DJJBTAFWCQNAHX-UHFFFAOYSA-N
-C3644D0EA7130163_A81C0AE872F60ACD_6034_UN,CC3=CC=C(CNC2=C1N(C=NC1=NC(=N2)Cl)CCCN(C(OC)=O)C)O3,FASNZNZCJGSPQC-UHFFFAOYSA-N
-C464F8AA819A4946_98B9E0F1A6F01C45_6029_UN,N([C@H]1C[C@H](CC1)CCO)[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O,AISDDOMBSLGRLB-JWCMVYSZSA-N
-C4DD7CBBD1272804_FF6FA4A754CD1850_6038_UN,N(C1=C3C(=NC(=C1)C2=CC=CC=C2)C=CC=C3)C(=O)C4=CC=CC(=O)N4O,FDWPZPAAQMPEHJ-UHFFFAOYSA-N
-C5FE9CEF6A4833EC_8BD4B95262D358FF_6041_UN,OC(=O)CC1=CN=C(C=C1)NC2C(C3=C(OC2)C=CC=C3)=O,SFFUZRJSLXRDMV-UHFFFAOYSA-N
-C6D09F8507562A32_2B621ADBA4910270_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=C(C=C3O)O,JMYYJTJDPQFSOH-UHFFFAOYSA-N
-C7F808046FB4AEAE_94ED6C4837034F24_6041_DP,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CO)C(=O)O,WBDJDINXOFKQQP-JTQLQIEISA-N
-C9EC1CC79588F2EF_4E2891AA59586030_6038_UN,N([C@@H](CF)C1=CC=CC=C1)C(CN2C(CN(C)C2=O)=O)=O,NZWBNIWMZCYORI-NSHDSACASA-N
-C9FB62B724E7871B_93076579CFDE9766_6036_UN,CN1CCN(CC1)C2=NC(=CC=N2)CN([S](C)(=O)=O)CC3=C(C=CC=C3)Br,ZAALDTVQZNKMLN-UHFFFAOYSA-N
-C9FBEAF4C7CB728A_46637F1A74C34D1C_6038_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OC(C2(CC)CC2)=O,GRJKZMKZQBNRIC-UHFFFAOYSA-N
-CA8FE7717B8B5F42_3C1706682EAA81A8_6038_UN,C[C@@H](NC(=O)C1=CC(=NC=C1)[N]2C=CC(=N2)[N](=O)=O)CC3=C[N](C)N=N3,YWLOSQNXARQEFB-SNVBAGLBSA-N
-CB1E326CC2A71631_E1EB3288FCE7DFBF_6004_UN,N[S](=O)(=O)C1=C(C=CC=N1)C2=C(C)C=C(C=C2)OCC3CC3,PAWAKYHMEMNNHK-UHFFFAOYSA-N
-CC4EC39BF5FA50D3_B875FA58D6BD31D0_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)OC3=CC=NC=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,TUOHWMQRSCWGQM-UHFFFAOYSA-N
-CCC50AE16F4952D4_A6393DAEF3001A57_6029_UN,N(C1(CCC1)C2=NC=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,KWXOJWWCZPEVGJ-UHFFFAOYSA-N
-CD210E18FE806C02_3C0B318366A86CF3_6035_UN,CC(OC1=NC=CC(=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCCC3,ILOTVGAIZCGYAJ-UHFFFAOYSA-N
-CD82A4FCF88D296E_CADF7ADE0BAD8CA0_6038_UN,CC(C)OC1=NC=CC(=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZTQFMJCKHVNTMV-UHFFFAOYSA-N
-CE9FFD52AA620868_1E11C300C8D9E265_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC(C(CC)C3=CC4=C(C=C3)OCO4)=O,BHHGQVRMBOQMTJ-UHFFFAOYSA-N
-CF83FD33DD21FFD2_596AAF69A4E324B9_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,DXJKENQLEGHTLG-UHFFFAOYSA-N
-D07395E463B7E81A_4DA27396F3153D97_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,LGHKYWPPERHYTN-UHFFFAOYSA-N
-D09A67A08CC1E7F9_96FA516554ADCC95_6038_DP,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC(C4=NOC3(CCNC3)C4)=O,AVUHKIYAJQJFSX-UHFFFAOYSA-N
-D0BB59AB2C7369E3_14DA73682135BB6F_6041_UN,OC(=O)C1=CC=C[N]1C2=C(C=CC=N2)NC3=CCOC3=O,JYERPHUHNVFPHV-UHFFFAOYSA-N
-D0BB9CEE616BED0B_B28BBE565BD6F2B1_6038_UN,CC(C)C(CNC(CCC1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,FFUFQDBMRVCSQK-UHFFFAOYSA-N
-D1BDB06DF1F36B43_CDF5FEBC7EE41CA6_6036_UN,C1(CCN(CC1)C2=NC=NC=C2)N([S](C)(=O)=O)CC3=CC(=CC=C3)Br,QWIMAWQPOZFYRO-UHFFFAOYSA-N
-D2344F3477A70EE4_339F933FFF0874E1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(C)(C)C)C=C2)[N](=O)=O)=O,RGEKXJZHOFARBA-NSHDSACASA-N
-D247747EA69AA7C4_AF77A4DB16387A36_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC(C)C2=CC3=C(C=C2)OCCC3,MCCBEEZTBAZKED-UHFFFAOYSA-N
-D248EC765850420F_A6EA4CCA50C08C3C_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(CCC(C)C)C=CC=C3,YBNXUKUKHIPFOO-UHFFFAOYSA-N
-D265685210F97710_2900C259D1812CDA_6041_UN,C[N]1C=C(C(=N1)C[S](=O)(=O)F)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,BIPFBDFYRXGBDW-UHFFFAOYSA-N
-D278116FE97F2F33_4421711152A66864_6038_UN,CCCCOC(=O)C(NC(CC(N(C)C)=O)=O)CC1=CSC=C1,NCVGEJJTLXBTEU-UHFFFAOYSA-N
-D2BABE5EB9C71D0B_F9F6D80776BD5D69_6036_UN,CC1=C(C=C(C(=C1)C)CN([S](=O)(=O)C2=CN=CC=C2)C3CC3)N,KMJGSEYYPYFQSG-UHFFFAOYSA-N
-D2E22C24915AF9A3_3C10DDCCB7BD3E93_6026_UN,[S](=O)(=O)(C1=C2C(=C(C=C1)Br)C=CN=C2)N4CC5=C(OC3(CCC3)C4)C=CC=C5,CBIVHCBPCSBEFX-UHFFFAOYSA-N
-D3DA52DF46B4E87B_1FEDA6D231CD88F3_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,HKMXPUUCNRGUPN-UHFFFAOYSA-N
-D5012A82B4FB5324_7CBD1027FE173420_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,RYMTXXLYHBQLJB-UHFFFAOYSA-N
-D616B0C3CB1F3C13_D5F4D6015ABCABBB_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=CC=C([N]2C=CN=C2C)C=C3,QGHYYEYABHEKAN-UHFFFAOYSA-N
-D6797F66E205B8EB_A3DEB36B87C5F09D_6039_UN,O(C2=C(N=C1C=CC=CC1=C2)C3CC3)CC4=CC=C(C[S](C)(=O)=O)C=C4,UWDDQWZGADKWKP-UHFFFAOYSA-N
-D67EAA186DBC2083_E0F9E0A1077C1304_6026_DP,[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CS4,IRDDWSDDEGXHNW-UHFFFAOYSA-N
-D79E7D5D786FE0D1_16259F82CE480904_6026_DP,[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,APRLESRJNBAOGP-UHFFFAOYSA-N
-D7DB4044E28D2A65_167CE271E454ED67_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C=N[N]3C)C4CC4,VXRZVJRFVRWKFC-UHFFFAOYSA-N
-D7F1DABB2F70A9E8_98C5F771D7162450_6026_DP,[NH]1C(=CC2=C1C=CC=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,CJDOPMGRUONZBK-UHFFFAOYSA-N
-DB3658F6DD26D272_10352C320579F5C3_6038_UN,CC(C)C(NC([C@@H]1[C@H](N(C)C(CC1)=O)C2=CC=N[N]2C)=O)CN(C)C,FKNJHHBLLXIVEL-PYCCJBKGSA-N
-DC8706A7B1B8266E_A91E76C90E77E311_6029_UN,C1C=C(CN1[S](C2=C(F)C=CC(=C2)C3CO3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,COMGETMBDHTXNL-UHFFFAOYSA-N
-DD134FB30E4B81E2_38628800CAD37A3A_6029_UN,N(CC(O)C1=CC=NC=C1)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,RATKDMOCRJYXKI-UHFFFAOYSA-N
-DDC49F86AD9D4B9E_2DC2996DE637A49B_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CN=C(O)C=C3,DMEUWZFXAGYCRI-UHFFFAOYSA-N
-DE32E4918FD5585B_0120776BAC18EF64_6041_UN,OC(=O)CC1=CSC(=C1)NC(C[N]2C3=C(C=C2)C=CC=N3)C(=O)O,RAMVHOVCZGQBLI-UHFFFAOYSA-N
-DF02B47A4766F059_725ACA533D18E37D_7022_DP,C1(=C(C=CC=C1)COC2=CC=CC=C2)NC(C3=CC=CC(=C3)C(O)=O)=S,KLPPGJQUUHXHKR-UHFFFAOYSA-N
-E10F7461ACE42EC7_6D0FA9668981665D_6029_UN,CC1=C(C=CC=C1)C2=C[N](N=C2)[S](C3=NC=C(C=C3)C4CCC4)(=O)=O,MTOOPXVKVGSATC-UHFFFAOYSA-N
-E19103C704C7B5D4_ACD94C142BA52C16_6043_UN,C1(=NC=C(C=C1)C2CCC2)N[S](C3=CC=CC4=CN=C(C)C=C34)(=O)=O,LKJXEDCQKZUZFR-UHFFFAOYSA-N
-E1D13F44AE0A923A_F1F4CB032E0940D3_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CC3,XKVQPAQCNTXLDX-UHFFFAOYSA-N
-E1E5E2D5E724C641_DEB62F3572055D19_6038_UN,N(C1=CC(=CC=C1)[N]2C=NN=N2)C(C3(C(N(C)CC3)=O)C)=O,UBOJEKRGRNPUPY-UHFFFAOYSA-N
-E2AD321D4304C3F5_F8895B78CDF97D61_6039_UN,CCCCC(CC)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,MEMHSHWMHSXIGZ-UHFFFAOYSA-N
-E2E2BCD564D77F0F_7EB290199139B81A_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4)F,CHVCBPVIYOKTNJ-UHFFFAOYSA-N
-E3610C4ECF3D99CD_E5E1EB84503335A2_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=CC(=C2)CO)F)CC3)N,NNDOETMUMHMKHH-UHFFFAOYSA-N
-E46A2F84F18632E3_9CA2E04A49BBFCEC_6029_UN,FC1=CC(=C(C=C1)N2CCN(CC2)[S](C3=NC=C[N]3CCC)(=O)=O)Cl,NYBJVQVUCHNWSR-UHFFFAOYSA-N
-E50CB501AF050567_6E8BC0C497EA041A_6038_UN,N(C1=C(C=CC=C1[N]2C=CC=N2)[N]3C=CC=N3)C(C4([S](C)(=O)=O)CC4)=O,FPLWEIOEUFMMLN-UHFFFAOYSA-N
-E5354B60A1A09635_B60B3FBE1A5771F9_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCC3)C)C4CC4,UHJNUVFTEYWTJO-UHFFFAOYSA-N
-E5407018BB7EFDBE_4367A5EB4BD241D7_6038_UN,COC1=C(C=CC(=C1)C)OC(CN2C(CN(C)C2=O)=O)=O,JUCCZGQKUMXROQ-UHFFFAOYSA-N
-E6897F95F55068E7_EBEAB0E8FF0120F0_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC(C(C)C3=CC4=C(C=C3)OCO4)=O,JVCSZFSLUBJWNW-UHFFFAOYSA-N
-E741B12993939D0B_51FDB7ABB835344B_6029_UN,OCC(CO)C1CN(CC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,VDQLAKXEUHKSGR-UHFFFAOYSA-N
-E86F35FA6F959ACD_7AFB0805FE539F0A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CCCN(C2=NC=C(C)C=C2)C3)=O,VZHWYUJDCXVWRC-UHFFFAOYSA-N
-E92FEC3FFC817018_08218BD379E00AC1_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CC(=CC=C3)OC4=NC=CC=N4,JKVLIBSNXNGOHS-UHFFFAOYSA-N
-E970C217906C7939_68D0AFA86F1D614C_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O,CODQLESSHYOBOP-UHFFFAOYSA-N
-E9988863A82B348C_AC704F95653247DC_6028_UN,C1CN(CCN1[S](C2=CC(=NC=C2)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,MZBAJEHPVOZBLG-UHFFFAOYSA-N
-E9B07C27746C6D79_1CE7D5622DDAA109_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=C(Cl)C=CC=N2)CC3)C,GPIGBALXMQMXCY-UHFFFAOYSA-N
-E9B82323B403BC8D_0B0B06DDB1434A47_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,WPCYDVLUGRQUHX-UHFFFAOYSA-N
-EA267ABEE11079EA_12B4A0239E7E7C4B_6036_UN,C(CC1=CC(=CN=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JKBAKNXVMOHPFC-UHFFFAOYSA-N
-EA54DF7E18F836D0_E609FC04757E7E02_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=CC=C(C=C3)OC4=NC=CC=N4,GXAMLLGQGHUEIN-UHFFFAOYSA-N
-EAAF0183A9D358C1_D72D3C42FFDCB88F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(N(C)[S](=O)(=O)C)C=CC=C4,XARIDUBSAKRWQS-UHFFFAOYSA-N
-EB072E85E0CE60C3_BDFE7AC0155675A4_6041_DP,OC(=O)CCC(=O)C1=CC=C(S1)NCC2=C(C(O)=O)C=CC=C2,MLDBKDUJQNUCBJ-UHFFFAOYSA-N
-EB27B4D2C2370E80_95E8AF9F6640E566_6041_UN,OC(=O)C1=CC=C[N]1C2=C(C=CC=N2)NC[C@@H]3OC(OC3)=O,KONSTJWLKHLJSD-VIFPVBQESA-N
-EC25B809743FBD56_FD2DA756EC3EBFF0_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,JPRVCXSKRBRIMN-UHFFFAOYSA-N
-EC72DE87F6DD67B7_59E43CA317F981AD_6038_UN,N(C1=CC=C(C=C1)[N]2C=NN=N2)C(C3(C(N(C)CC3)=O)C)=O,UKYUFLRQHDTDPK-UHFFFAOYSA-N
-ECC8651318092E99_8AB8E564A58BD694_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(N=C(Cl)C=C2)C#N)(=O)=O,IQMZJKWUIWLQMO-UHFFFAOYSA-N
-ED1B32E0856BE140_4D7341D23C81C5D4_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,GZRQCGHVYKYCID-UHFFFAOYSA-N
-EEB7DC3B89211BF0_6D9DDAE21047E00D_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(N=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,DFAQCNKYWOZQNG-UHFFFAOYSA-N
-EEC17B74F8D682E5_FEBA35FAFB5F4BC5_6038_UN,CN(C)CC3(COC(C1=NOC(=C1C[N]2C=C(C=N2)[N](=O)=O)C)=O)CC3,ISDLTVXZAUQYJV-UHFFFAOYSA-N
-EEE7258A173641ED_81DAAF24ED77177A_7019_UN,C(C(=O)NC2=C1C=CC=CC1=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,GQTHOXMPTXFWKO-UHFFFAOYSA-N
-EF765CD1C830AB36_D36D121390F7754A_6036_UN,CC1=CC(=C(C)S1)CN([S](=O)(=O)C2=CC=CC=C2)C3CNC3,UKCUWZWVWSQHOO-UHFFFAOYSA-N
-F2068694A977BE88_EACF6FA6B6A47DB0_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,MDGJGXWJUGPGGT-UHFFFAOYSA-N
-F20DADF6603B3232_A6FB560CC1D26E58_6038_UN,CCC[C@H](NC(C1=CC=NC(=C1[N](=O)=O)N)=O)CC(=O)OC,KGIGXVPPVZWZOM-QMMMGPOBSA-N
-F26A398B89D88279_A4C05E1D8C215ADE_6038_UN,S(C2CC1=C(C=CC=C1)C2)C(C4=C[N](C3=N[N](C)C=C3)C=N4)=O,LADNZHWHFWWIPY-UHFFFAOYSA-N
-F41E8E1A65469610_128532DA5D03EEF3_6029_UN,C1CC(CN1[S](C2=C[NH]N=C2C3=CC=CC=C3)(=O)=O)C4=NC=CS4,WITCKLZXEAFQPH-UHFFFAOYSA-N
-F482F7CD6EE9C670_66E96EA2906329D8_6035_UN,CC1=CC(=C(C=C1)N3CCC(OC2=NC=C(C=C2)[S](=O)(=O)F)CC3)C,XZTBQLFAPVYIJO-UHFFFAOYSA-N
-F4F6189679775DB5_A115BDDE9C3EB8BC_6026_UN,C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,LWCKJUYCYICKOY-UHFFFAOYSA-N
-F5CB4BC5A24379F8_7DCEF51C0BFD1052_6027_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=CS4,VJYOUSIMWFKFIU-UHFFFAOYSA-N
-F5CB4BC5A24379F8_7DCEF51C0BFD1052_7015_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=CS4,VJYOUSIMWFKFIU-UHFFFAOYSA-N
-F5CB4BC5A24379F8_AE7032CAEC43D51D_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=CS4,VJYOUSIMWFKFIU-UHFFFAOYSA-N
-F647B312C8072C0D_BEF2D3DC28791A55_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,OZLFQJPNUPGYGY-UHFFFAOYSA-N
-F7A63BF7C19FEAD0_34B03196CDD7EB53_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,IGFLSWHYLFSQCI-UHFFFAOYSA-N
-F95DAF0BC90FDD5F_56C4BFE88A0C6749_6039_UN,C[C@H](OCCC(N(CC(OC)=O)C)=O)CC1=CSC=C1,WDXZEDZFDRAKIG-NSHDSACASA-N
-FA87D8D7CB67698C_611BF7E914D6654A_6041_UN,C1(=CC(=NC=C1)C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,CQXYSRIZSPPZEP-WFASDCNBSA-N
-FC33FFACC56A57C7_0D7C6BD254EC1459_6029_UN,N(C1=C(N=CC=C1)C#N)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O,FXJOPMWYSUOPLP-UHFFFAOYSA-N
-FCA3E51490CB4DA3_67FEA33CAFDB807A_6041_DP,CC(C)CC(=O)C1=CC(=CC(=C1)C)NC3=C(N2CCNCC2=O)C=CC=C3,WKJNKAJECDMUEE-UHFFFAOYSA-N
-FCBDF89D147419F5_0BD210C442481FA6_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N3CC(C3)OC4=NC=CC=N4,ZMZBYYRSNQTVDF-UHFFFAOYSA-N
-FCEC357CC4D8609F_85EB1D8A4588508D_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=CSC=N4,YYZXEMNTOZFSCM-UHFFFAOYSA-N
-FD17C5F467E2130B_92AEC02DAE7B6BC6_6026_UN,CC1=COC(=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)C)CCC3,YBMXYGQRBQVOEB-UHFFFAOYSA-N
-FDCA5CAF465F2F71_ECB18832F9A173AB_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C2=CC=CN(CC(C)C)C2=O)=O,KEOOYVXIJHEBEV-UHFFFAOYSA-N
-FEAE1803145AA26E_083DF998A91D3BB8_6041_UN,OC(=O)CC1=C(SC=C1)NC(C[N]2C=CC=N2)C(=O)O,QRBGYZBFDNXWPU-UHFFFAOYSA-N
-FEE9C412561BFC1C_7C02F4A00D905CE9_6028_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=NC=C(C)C=C3)(=O)=O,FXRLZFSOKQQKJC-UHFFFAOYSA-N
-FF66D5246CED3DF7_3F3C0534D35D30D4_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,CPQACHHDBXJRNU-UHFFFAOYSA-N
-rxn:2:77052:149518,CCN1CCC(Oc2ccncc2NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1,HUXGZSNCQDLSBY-UHFFFAOYSA-N
-00D162042D145D87_48117D027CE0BC4D_6034_UN,COC1=CC=C(C=C1)C2=NC=CN2C3=CC=CC=CC3=O,GJJAHVQROVIPSH-UHFFFAOYSA-N
-01051B8120FA2221_2E73A22F118E8004_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(C[N]3C=CC=C3)CC4,KTBYAFSKNRAIKN-UHFFFAOYSA-N
-0310D2A1B4AF64C5_1081E609A235F799_6041_UN,SC1=C(C=CC=C1)NC2=CC(=CC=C2)N3CCOC3=O,OUFQYGHMCYCLPF-UHFFFAOYSA-N
-0431AE17256D050E_9A76ADA9ED47E3A2_6035_UN,O(C1=CC=CC=CC1=O)C3=CC2=CC=CC(=C2N=C3)OC,XMUWQGWZWPXRGG-UHFFFAOYSA-N
-067DB27C7224A19B_FCEA6C5400E4CD01_6041_UN,C1(=NC=C(C=C1)C2CC2)NC3=CC=CC4=C3OC(C)(C)CC4=O,ZSFOSJZIPJDRCF-UHFFFAOYSA-N
-06B724C15CFF863C_9BAD33F4D6363F7F_6041_UN,COC1=C(C=C(C=C1)NC2C3=C(OC2)C=CC=C3)OC,BECBOEQDQCZSOO-UHFFFAOYSA-N
-08050032924DC10B_4B9C3D421AF16FFC_6038_UN,O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)C(=O)C3=CC=CN4C3=NCC4,KIIYXDWECPQALT-UHFFFAOYSA-N
-082356B1EC9F4013_E33009D179C696FE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=N4,PHGJVUMLSMIDQA-UHFFFAOYSA-N
-086E574F2A2D8959_FFCADE5068FDEB09_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC=C4F,BHWBMHRIIFWDAZ-UHFFFAOYSA-N
-0B8EF0DA50E73702_FA1C6AD1ED640353_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(CO)C=CC=C3,LWYWLTIUVXVTRZ-UHFFFAOYSA-N
-0C51558C0424F1DB_25EA6031A6DC2261_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(C3=NN=C(C(C)C)O3)C=C4)(=O)=O,DQTCVJIJTBCFOB-UHFFFAOYSA-N
-0C832088F7C45A3D_B1025B1A13443D64_6029_UN,CC1C(C1N[S](C2=CC=C(OC)C=C2)(=O)=O)C3=CC=CC=C3,TVGTXJMUOOUZCU-UHFFFAOYSA-N
-0CE33CA02765DDEB_A92B25BCCEF19214_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4C[S](CCC4)(=O)=O,YRVPAFOVZKDXHI-UHFFFAOYSA-N
-0D427B76841D2FAD_014C48584DB153A0_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4C[S](C4)(=O)=O,WVNNIIAWIQGLJH-UHFFFAOYSA-N
-0F14B7A4F54FC751_0C2901994D7B51F5_6041_UN,C1(=NC(=CC=N1)[N]2C=CN=C2)NC(C)C3=CC=C(C=C3)N4[S](CCC4)(=O)=O,UUGRNHJVVNNDJW-UHFFFAOYSA-N
-0FEC2CEF27688BC1_869082B5E0786A11_6038_DP,CC1=C(C(=CC(=C1)F)C)SC(C3ON=C(C2CNC2)C3)=O,PVYLTMXGBFRSHF-UHFFFAOYSA-N
-108A89D38A2627C6_1FA5AC14C3D2CBAF_6039_DP,CC(COCC2CC1(CNC1)C(O2)=O)CC3=CC=N[N]3C,IUNPXCXFBXBWHM-UHFFFAOYSA-N
-10E7E34C17841594_5EE37408799AC9F1_6038_DP,N(C1=C(C=CC=C1)SC2=CC=CC=C2)C(C3=C(O)C=CC=C3)=O,HTQDFPPAGBEVRI-UHFFFAOYSA-N
-113CE99898FAFB06_AE70C1F1A446F88E_6038_UN,CCC(OC(=O)[C@]12C[C@H]1[C@H](C2)C3=CC=CC=C3)COC,RFGMTFNLNPGGNQ-UCMJJCQDSA-N
-12B0EA8B83E958DF_401347A34EEE829C_6028_UN,CC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CN=C(C)C=C3)(=O)=O,SBVFCHWMUFEGMF-WKILWMFISA-N
-12EA2875677A7A20_DAEE3A32819034FC_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC=C3,ABCUQTDOXSMXLT-UHFFFAOYSA-N
-1339B70EFB673C3D_156F5B767F0662BC_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=NC=CN=C3)(=O)=O)C4=CSC=C4,XQKHVCPZQXYLDO-UHFFFAOYSA-N
-1388D1709D1B25AE_8D5163D5FF4A8C40_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)C,FUKLOCQMUOMRGN-UHFFFAOYSA-N
-14AC884DCCEBAD9E_35131EDB83AABFB0_6041_UN,CC2=N[N]1C(=CC(=NC1=C2)C)N[C@H]4[C@@H]3CC(O[C@@H]3C4)=O,SJDINIMDZVHLDQ-HBNTYKKESA-N
-16CC3EFC98A35FA1_B7E08B7CD305563A_6029_UN,C1C(CN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)[N]4C=CC=C4,YIQJVUZHILHJSP-UHFFFAOYSA-N
-187FEBA44A053858_15AFFF1FCA6AF63B_7019_UN,C(C1=NO[C@@H]2COC[C@H]12)=CC(OC)CC3=CC=CC=C3,KOQKKVFXBHZLNK-IGLHTZBQSA-N
-1944F64B3D37A036_4F25D95D6429A206_6029_UN,C1CN(CCN1[S](C2=CC(=CC3=C2N=CN=C3Cl)C)(=O)=O)C4=NN=CC=C4,IXTOMOYALABNRE-UHFFFAOYSA-N
-19FDD5FC1EF15E21_D8F7B7ABAAB115FE_6029_DP,OC1CCN(CC1)[S](C3=CC=C(OC2=C(C=C(CO)C=C2)F)C=C3)(=O)=O,GLOYARDKSQECJS-UHFFFAOYSA-N
-1A17BEE912D9D0CB_C2A92E93487BA852_6029_UN,C1CN(CCN1[S](C2=C(C)N=CN=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,NCTPRDQMVVSFQF-UHFFFAOYSA-N
-1A6F86E16E78F676_792D1CF8E38F4C86_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC(C)C4=CC(=CC=C4)N5CCC[S]5(=O)=O,SYECFHPZHQKHNL-UHFFFAOYSA-N
-1B9CDA2CB6BBF43C_F02184F0985F6949_6041_UN,O[S](=O)C1=NC(=CC=C1)NC4=C(C2=NN=N[N]2[C@@H]3C[C@H]3C)C=CC=C4C,QDASKXAYLOVOGA-DGCLKSJQSA-N
-1C2F165F72BF4540_045F6B7447A7BD5F_6034_UN,NC1=CC(=CN=C1)C3=NC2=C(C=CC=C2)N3CC4=C[N](=CC=C4)=O,ZWSCBJCJTMCFKJ-UHFFFAOYSA-N
-1CD0E68946AE1A07_DECA029CA5DCD80E_6028_DP,O[C@@H]1C[C@H](C1)N[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O,KGHZOUWVRUHTFD-HDJSIYSDSA-N
-1CEAB5736C476D93_9FA508890E392428_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3C[S](CC3)(=O)=O,MXDKAHGJBQNHNV-UHFFFAOYSA-N
-1E11F25F6DBC4A45_7583B23B49D23FCE_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,RPXVGNZJXVQJSA-UHFFFAOYSA-N
-1EC905F261614AA9_F702490265600CFC_6029_UN,C1C=C(CN1[S](C2=CC3=C(C=C2)OCC3=O)(=O)=O)C4=CC=CC=C4,UASNBMDSPVNDCR-UHFFFAOYSA-N
-1F8B523F3FD83515_BD791B5DFAB54C6B_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)I,NWHWPHYCYZYPBS-UHFFFAOYSA-N
-1F952FB1F05545DA_9E3E690FF3A73F9C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4(CC4)C5CC[S](CC5)(=O)=O,BPKOPHAIPQUSJN-UHFFFAOYSA-N
-21072F14F5A48C2C_FB0E6F694E495439_7022_UN,C(=CC1CC1)OC3=C(CC)C=C2C(=CC(OC2=C3)=O)C,HYBKOSKVOFYDCA-UHFFFAOYSA-N
-21E2D44AD4977988_02915B2CD4C6B91B_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(F)C=C3)(=O)=O)C4=NC=CS4,WSVONPIMKGBJRM-UHFFFAOYSA-N
-21E3EB905E477700_AA360407B6D7FB4E_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC=C3,BVQBTOHHTBYXMO-UHFFFAOYSA-N
-229E80C0D04EA0C5_DBC5DAFF7362F51D_6029_UN,C[N]1N=CC=C1C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CSUKBIPWVFRLDF-UHFFFAOYSA-N
-22C8E45259BE83D7_250CC9FA8676CEC9_7019_UN,CC1=CC=C(S1)C2=CSC3=C2C(NC(=N3)C=CC4=CSC(=N4)C5=CC6=C(C=C5)OCO6)=O,BTPUNLFQOVPODT-UHFFFAOYSA-N
-2388AEFCDF295882_91843DD721394B78_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CN=C([S](C)(=O)=O)C=C4,DRZNYIPEXDZQET-UHFFFAOYSA-N
-240324BA99385EA0_697214A4EF62F8DB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)N4CCCOC4=O,WGGGBYHPFIXDHT-UHFFFAOYSA-N
-26238B60E986454A_A98957BC75FED429_6029_UN,C1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NN=CC=C4,KFIXLNSZHCROKW-UHFFFAOYSA-N
-27404A0A8C382BA3_3CAA49B18CAD227B_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC(=C2)Br)N4CC5=C(C3(CCCC3)C4)C=CC=C5,GVTROFBSFMQLGS-UHFFFAOYSA-N
-27A9C0DFEAE1D2EC_5402C1A88A6B8A93_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NC3=C(N(C)C)N=C(N=C3)N4CCOCC4,JIVKQWFSFGCUPS-UHFFFAOYSA-N
-293CF8C55FCC1284_5440A2027FA0EC2C_6029_UN,CC1=C2C(=CC=C1)CN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,BDWBILPRPGEWGX-UHFFFAOYSA-N
-29F704A0BD640280_61683E64AED19DB8_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=CC=C(Cl)C=C3)(=O)=O)C4=NC=CC=N4,ASJIEFYHSPZOSH-UHFFFAOYSA-N
-2A6795BA2EDECBE9_7CE00157CB44E679_6038_UN,CN(C)C1=CC4=C(C=C1)C(NC(=O)C3=CN2C(=NCC2)C=C3)C(=O)N4C,NTJAPLCHUYFOFB-UHFFFAOYSA-N
-2ABD886421ADC9CA_4843AD443046B85B_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CC[S](CC3)(=O)=O,MUFPNDFMYRPVIM-UHFFFAOYSA-N
-2B3C70037672AE37_182198A4CB56D53F_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC4=C(O)N=C3C=CC=CC3=C4,MHXDLILFOSPNHU-UHFFFAOYSA-N
-2E7C96521AFC7169_E81A2FF790CF4AAB_6029_UN,C1CN(CCN1[S](C2=CC=C(S2)C3CC3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,CNPTZUWKENBDIC-UHFFFAOYSA-N
-3084E8A5F6EC6A17_ED9D33A77A10E9CC_6026_DP,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NC4=C(C3CCNCC3)C=CC=C4,ALWBVFCPBHYIRF-UHFFFAOYSA-N
-30DDB68984EE07BE_4D5E181C66FEC83E_6029_DP,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CC=C(C5(CNC5)O)C=C6)(=O)=O,YAEWDPGVTWFMBB-UHFFFAOYSA-N
-3130800C6BD0E060_4BAC2825E2E3F7E4_6041_UN,C1(=CN=C(C=C1)C2=N[NH]N=C2)NC(C)C3=CC=C(C=C3)N4[S](CCC4)(=O)=O,SKALLIFZLWNMMU-UHFFFAOYSA-N
-313A7BAA2848288C_1C9C6A6A2E4FB71C_7022_DP,COC1=C(C=C(C=C1C)C)N2CC3=C(CN2)C=CC=C3,HOSPFIKQSMZJQY-UHFFFAOYSA-N
-31AAABFFA472D42B_F4053C5D54120601_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(CC)C=C(C=C3)C,XYAYPUJBBMWRHC-UHFFFAOYSA-N
-3323CDFBF7BBF842_FE21CD42E6EA42B2_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=C(C=C3)C#N)I,SQQAVZWXORQFTD-UHFFFAOYSA-N
-343645A09C902FD6_34EE71F8C7293A5F_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=CN=C(O)C=C3,AWLPBVOMHRFHHJ-UHFFFAOYSA-N
-3589E3F0616E9DDA_781EE26CC3AFF635_6038_DP,N1CC2(C1)C(OC(C2)=O)CNC(CC3=CC=CC(=C3)SCC)=O,IHCJVLANTTZTIT-UHFFFAOYSA-N
-35B5860A53AD59AF_E1E62FDF0EEECCAC_7019_UN,C(C1CNC(=O)C1)=CC2=C(C=CC(=C2)C(OC)OC)F,AGURBYCCGXUVHD-UHFFFAOYSA-N
-36C83DB4B38A40D3_8816A0E815A7F424_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C[S](C)(=O)=O)C=CC=C4,MKRYQEUXSFRPAL-UHFFFAOYSA-N
-387085182EA31855_6F6E4D73009D6724_6038_DP,N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,RQYFSWJYBVFMMZ-UHFFFAOYSA-N
-38C2CFA07C62C1D3_D438D85B8D24737A_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)Cl,XJQXSHVYPPJKQD-UHFFFAOYSA-N
-396C5FF466C0948C_6B918C0B22E77D61_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(CO)C=CC=C3,LKMPZIFDIAYDSI-UHFFFAOYSA-N
-39A000FCE58C0725_D6DF342E6F0DDE83_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC=C4,WOIMSOJWGWYDDP-UHFFFAOYSA-N
-3AACF258C52D3C38_6BD78879B6ABB7D9_6028_UN,CC1C(CC1N[S](C2=CN=C(C)C=C2)(=O)=O)C3=CC=CC=C3,CIRSJWWZHRCNEI-UHFFFAOYSA-N
-3AE6585053968C0E_2FFA8DAE70BAF28A_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4CC[S](CC4)(=O)=O,FCMOQNDRBHHEGN-UHFFFAOYSA-N
-3B63107A8097B77E_6E67409653A25E24_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C(=C2)Cl)I)(=O)=O)C3=NN=CC=N3,LSGBYDQMFPHWNZ-UHFFFAOYSA-N
-3B86A4A165B9138F_FD4C9B5BD6B9F600_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCCC3CC[S](CC3)(=O)=O,IKLDPLKIBAJGQY-UHFFFAOYSA-N
-3CEB999BA50D0D2C_7BEB2E1251888F4A_6026_DP,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCNCC3C4=CC=N[N]4C,XCMPGKXBLOMJBV-UHFFFAOYSA-N
-3D6794AE6A8678EF_FE9FC07B81193A39_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(N(C)[S](=O)(=O)C)C=C4,AKSODBGUYNMOSI-UHFFFAOYSA-N
-3FE372C0EAC1DEC1_FE7A3ABE3C0B9511_6041_UN,COC1=C(C=C(C=C1)NC2CN(C)NC2=O)N3C(=O)C=CC3=O,JSLZWNCUCXDZBB-UHFFFAOYSA-N
-423BF24F2B922228_457C9B5A77DFE8A2_6029_UN,C1CN(CCN(C1)C2=NC=CS2)[S](C4=C3N=C(C)C=C[N]3N=C4)(=O)=O,ADOJQVZLEFGYBQ-UHFFFAOYSA-N
-42918C4C247B0416_0110FDB878EF7E08_6029_UN,C1CN(CCN1[S](C2=C(C=N[N]2C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,STVPWZLSQQPRNK-UHFFFAOYSA-N
-429B18F8D2C0309B_8191948A3BC31E8E_6041_UN,C1(=CC=C2C=NNC(=O)[N]12)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,NTZBMHBCJLHGMJ-AAEUAGOBSA-N
-4382DE0A3525CC5D_D51C90693933B4EA_6029_UN,N(CC1=CC=C(Cl)S1)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,OSVVASPQKPYTNG-UHFFFAOYSA-N
-45AAADB24944A485_65CD9DD9361441E1_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=CC(=C3O)C,XZLUGEKPZVMCHF-UHFFFAOYSA-N
-460BBBE74A07AE18_EAEB94A1EBA47F4E_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(CC)C=C(C=C3)C,FBINGRFVBCDWMJ-UHFFFAOYSA-N
-48C32EFF4A998EEB_6A7052EC2BEDF018_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)C,SVCUUGQPGAUAMF-UHFFFAOYSA-N
-4AA5AB0077475033_1B15C25E44B659A1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](C)(=O)=O,DPJRXQXNXXJCBW-UHFFFAOYSA-N
-4C25DAAC6D565F51_09B9BDCDF7705F60_6035_UN,O(C2CN(C1CC1)C(=O)C2)C3=CC=C(CCOC)C=C3,IENDMLCDOCBNMX-UHFFFAOYSA-N
-4C2CC32F2D90F4D4_A38BA1B99DCC9BC6_6038_UN,CCOC1=C(C=C(C(=C1)NC(=O)C2=CC=CN3C2=NCC3)[N](=O)=O)OCC,CRBNYIYZNLSDOC-UHFFFAOYSA-N
-4C6825A67F0CF939_10236F417EFE815E_6039_UN,CO[C@@H]2CC(OCC(OC)C1=CC=CC=C1)C[C@@H]2OC,HMFOJUDLJNNLEZ-IRHLINNNSA-N
-4CECD65C42AEE954_6A836B2FEE698166_6039_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)CC3=CC=CC(=C3)OC,GSTQNEYEEZAJTE-UHFFFAOYSA-N
-4D97532A4F24ED5B_39A455D5F9D07E82_6041_UN,C1(=CC=C(C=C1)C2CCCC2=O)NC3C4=C(OCC3OC)C=CC=C4,WEGQLICYYHRWCY-UHFFFAOYSA-N
-4E03F2B1FC1D3EE5_B2FB9FA96EE7CAB3_6028_DP,O[C@@H]1CN(CC1)[S](C2=NC=C[N]2C3=CC=C(C(C)C)C=C3)(=O)=O,MTJLNWNHXCTKRW-HNNXBMFYSA-N
-4FAD5316014DB0CF_74553A01F09439CA_6029_UN,CC1C4=C(CCN1[S](C2=C[NH]N=C2C3=NC=CN=C3)(=O)=O)SC=C4,XLOLJHSDNSLTJC-UHFFFAOYSA-N
-4FDF7B8F8A602ED4_8408529CFF6B771D_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=CC(=C3O)O,SQCXMAQFXMRGDA-UHFFFAOYSA-N
-512421FF49533699_33756D08C2EB98D2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CC[S](C(C)C4)(=O)=O,PZXPGUACBUIJLP-UHFFFAOYSA-N
-5162D0C5FDD81686_ADEF32AF8B57FB8E_6029_DP,C2COC1=C(C=CC=C1)CN2[S](C4=CN=C(C3(CNC3)C#N)C=C4)(=O)=O,KWFAHIQCAHELFT-UHFFFAOYSA-N
-5523FEFEF1CDD8DE_8A943011352C2A37_6038_DP,N(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,NBOCDAKMNDKFPN-UHFFFAOYSA-N
-5576D9E3A3FD2AFA_012E9B0231CE6CBE_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CN=C3,QNYLHEUMRGGSMI-UHFFFAOYSA-N
-5795B79DB3FF858E_8B10186FB489FF45_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CN=CC(=C3)C(C)Br)(=O)=O,XHPWHLWDQQIRPI-UHFFFAOYSA-N
-5B1431AEE6F194E7_CA693D07C9D5D79B_6029_UN,N(C1CCC=CCC1)[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,ZUKPZNVJSAMGNF-UHFFFAOYSA-N
-5C1C706B0E9552F5_FA44599B088D06F0_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(C)C[S](C4)(=O)=O,ITBGLSYCWTXBCI-UHFFFAOYSA-N
-5D0266D36405990D_04A1F67A0AE58200_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=C(C=CC=C2)OC3CCC3,XGZUEBDYHNAHQK-UHFFFAOYSA-N
-5D2054DB84AA5335_0220E8CB28FAFAB6_6041_UN,SC1=CC(=C(C=C1)C#N)NC3=CC(=C(C2=NN=N[N]2C(C)C)C=C3)F,CHFYGTKFFFCKCI-UHFFFAOYSA-N
-5D7FC4B959286C66_F961CFCD8021B04C_6041_UN,O=[N](=O)C2=C(C=C1N=CSC1=C2)NC3=C(CCC3(C)C)C#N,VNBWFVHAYIUEND-UHFFFAOYSA-N
-5DA42AE57DF80432_AC8DAF26FBBCF6FD_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,LMNKPSKTUDYCIN-UHFFFAOYSA-N
-5E7301B501C8FDAE_DAEE2352BBF5F535_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(N(C)C)N=CN=C3,GQWHPQXNZHCFOP-UHFFFAOYSA-N
-5F2CA416DF661038_F0811B2ED23BAF04_6028_UN,N(C(C1CC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,YBQKIUFQKGXZGV-UHFFFAOYSA-N
-5F56B9571D034720_95D75FE299091ADF_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,MCGYILMZDACLAP-UHFFFAOYSA-N
-6244AD6EA8B7B2CA_C11BCDFB3D8EB501_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=CC=CC4=C3CC(C)(C)C4)(=O)=O,NOODXOKCOIQMJW-UHFFFAOYSA-N
-6678D3407F1749B3_103030704FD736B6_6041_DP,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3=CC=C(O)C=C3,LKJDRIJFMDHHFQ-UHFFFAOYSA-N
-667EBCF17B772D9C_DAB43C96FE4B5483_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NCC3=C(C)C=CC=N3,XBCZVONRHJIRLR-UHFFFAOYSA-N
-67E7C3C1A0D96952_6354E70185DF76EA_6038_DP,N(C1=CC(=CC=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,ANTGWDVUZYCYEY-UHFFFAOYSA-N
-6B87A19C01FAA7CD_32267F9BC63D676B_6041_UN,OC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)SC4=NCCN34)[N](=O)=O,RMTXNZUPUBDXPK-UHFFFAOYSA-N
-6B8E561389145506_0E2E1129B1B63EA4_6034_UN,COC2=C(C=C1C=CN(C(C1=C2)=O)C3=CC=CC=CC3=O)C,HVGCVWSJHLYXNE-UHFFFAOYSA-N
-6E85DCF8489E0D27_724BFD0DAF058913_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3)CC4,PCRCRKNQIQHHRY-UHFFFAOYSA-N
-6EB99AD54573309F_EE3A8D4F7737D699_6028_UN,C1CC(CCN1[S](C2=CN=NS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,FLZHRKXYKOUWKO-UHFFFAOYSA-N
-7030EC0B198C5ABD_8BA6BEB35FBB92DF_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=NC=C(O)C=C3,MOLWKCAPYDRLSG-UHFFFAOYSA-N
-70A939A502EAEE02_32E04D87C805DC73_6038_UN,CCC(NC(=O)C1=NNC(=O)CC1)C2=C(C=CC=C2)OC,GZQFNTVTVYQCFE-UHFFFAOYSA-N
-70F9BB77B3313A54_179D45E66434462E_6038_UN,CN(C)C3=NN=C(CNC(=O)C1=CC=CN2C1=NCC2)[NH]3,OYPDGPZTWMMEPB-UHFFFAOYSA-N
-70FBEEA0E3694D7D_C4839F9B1A601E26_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C([S](C)=O)C=CC=C4,XCWIZLXFANQWEQ-UHFFFAOYSA-N
-727E743D63104140_F59FAB1CB0270779_6041_UN,CC(=O)CC1=C(C=C(C=C1)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,SLPFYZBMTOWYLE-UHFFFAOYSA-N
-727F5D867928EFE6_121B4148C8FBEC63_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)[NH]N=C2)(=O)=O)C3=CC=CS3,REPKMXMRDACSST-UHFFFAOYSA-N
-72CF22E94D839DB1_541F300A9FE6ACCA_6041_UN,COC1=C(C=C(C=C1C)NC2C3=C(OC2)C=CC=C3)C,CLTSEXIKIVVNRG-UHFFFAOYSA-N
-72F32982FD1BF2A8_956AA9BE26AF6F22_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CCC4=CC=C([S](C)(=O)=O)C=C4,PHGLDXYZTIYEIF-UHFFFAOYSA-N
-73D614B547E43BEC_3ACB8740D3244C34_6038_UN,CC1=C2C(=CC=C1)C(CCC2)NC(C3=C(C)N=NS3)=O,CYGMHCQGTUOVKT-UHFFFAOYSA-N
-7437DC44DB8EF3DA_98DC4373688A2528_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=C(Cl)C=C3)(=O)=O)C4=NC=NC=C4,AWDSLHJCDBVLJL-UHFFFAOYSA-N
-74BBB0E6BB6032FA_0F1DA053BC6E2764_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=NC=C(O)C=C3,BBQQTBGUZRUZMU-UHFFFAOYSA-N
-7517044EF94C9DA6_DA65C8D360DC8324_6029_UN,O[C@H]1CN(CC1)[S](C3=CC=C(C2=N[N](C(C)C)C=C2)C=C3)(=O)=O,PNUGRIJXVRDIMY-CQSZACIVSA-N
-75660F9D9482F0C4_82D20CE58A08A685_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4C[S](CCC4)(=O)=O,MRSCCQDUNMZTFH-UHFFFAOYSA-N
-757DDC16D4193706_3153594CDA77963E_7019_UN,CC(C=CC2=C(OC1=C(C=CC=C1)O2)C3=CC=CC=C3)C(=O)O,CXRLHAADNXXCEF-UHFFFAOYSA-N
-75A90F3A4A986237_185C54B3FBAF7852_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NCC3=CN=C(C)C=N3,WVXGZYRTFJOLMA-UHFFFAOYSA-N
-75D19AB0431B953D_2F9E3936127535E9_6029_UN,C1=CC(=N[N]1[S](C2=C([NH]N=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,GDKVHZAUDDBGEL-UHFFFAOYSA-N
-7620B7E5DDE2C174_0B2891782ECB437B_6028_UN,C1CC(CCN1[S](C2=NC(=C[NH]2)C3=CC=CC=C3)(=O)=O)C4=NC=CS4,LKHCLSZEKYSHTN-UHFFFAOYSA-N
-76CB7E325DAB62C5_B1DAF9573D02D605_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(CF)C=C2)(=O)=O)C3=CC=CC=C3,NCZBDNNJRQQKJF-UHFFFAOYSA-N
-76F5E30A9FBE341C_3D58FC6AAA9A6FAE_6029_UN,C1CN(CCN1[S](C2=C(C=CS2)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,PZRHSRZTORYAAB-UHFFFAOYSA-N
-77A12F9A2A574A94_7FC59E668B29E8D6_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=NC=C(O)C=C3,JQWNJQQQJHRBSO-UHFFFAOYSA-N
-77DD11899A585690_DB3B8BC207F6CD7C_6035_UN,O(C1CC[S](=O)CC1)C3=CC2=C(C(=CC(=N2)C)C)C=C3,BZGHCHHBPPTQFR-UHFFFAOYSA-N
-7805F7C8919EB20B_28C107B34D6D6B41_7022_UN,C2(=C1OCCC1=CC=C2)NC3=C(C[S](C)(=O)=O)C=CC=C3,ITIDRSLKQYYVTK-UHFFFAOYSA-N
-78C549910AFEEE5C_B5BE94316FAF9AA6_6029_UN,CC1CC(CN1[S](C2=C[NH]N=C2C3=NC=CN=C3)(=O)=O)C4=CSC=C4,QEWHWLDGKJKVFI-UHFFFAOYSA-N
-79F376BAE2089F19_4BF2BB6444145DF6_6041_UN,CC(C)OC1=CN=C(N=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,HRIXUVVTLPJCAD-AWEZNQCLSA-N
-7A6C81F41F5E6630_1515A3EC01538E53_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=CC(=C3O)C,KXCZGPHASFBDTC-UHFFFAOYSA-N
-7B819796CCA5F146_B6AEF074F0A8A56E_6041_UN,C1(=NC=C(C=C1)C2CC2)NC3=CC4=C(C=C3)OC(C)(C)CC4=O,ZJQNIUREJXAZPX-UHFFFAOYSA-N
-7C01F8836E92258A_2713A2A9AB769BA7_6038_UN,NC(=N)C1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,ZZCONWFBQFUJMR-UHFFFAOYSA-N
-7C49579B96AA94DB_412DA2EB065560D3_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCC3C[S](CC3)(=O)=O,JHUCKVADPFBSNT-UHFFFAOYSA-N
-7C773DA4B9AC22AF_C331F628D5E90AD4_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC=C4,XLHGOPKOKCPPOX-UHFFFAOYSA-N
-7C82CC92A3992402_69C4DA312D207FF0_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CCC2(C)C)C#N)[NH]N=C3,VNDWVORUPZQANU-UHFFFAOYSA-N
-7DEE72FD17DEAF99_653FEA6748C22707_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=C(C)C=CC=N3,ZWUWVTLAXNISRB-UHFFFAOYSA-N
-802540B46DE88BFE_5CF54271C9CEECA8_6038_UN,N(C1=C(C=CC(=C1)N2CCOC2=O)F)C(=O)C4=C3OCOC3=CC=C4,MBXXIISMGXJFMQ-UHFFFAOYSA-N
-80721373B8575ADC_8D74888B280CBB60_6028_UN,N(C1=CC(=CC=C1)OC2CCC2)[S](C3=CC=CC(=C3)CC)(=O)=O,SWPSUCJJPHRWPD-UHFFFAOYSA-N
-8084FF1B314E4711_5E5CE98834512D87_6029_UN,N(CC1=CC=C(C=C1)C[N]2C=CC=N2)[S](C3=C(C=CN=C3)C#N)(=O)=O,ZKVUVNRJWFSFTR-UHFFFAOYSA-N
-80A12CBC7904798D_EACF2ABBBBEFD1C9_6029_UN,OC1=C2C(=CC=C1)CN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,ZKBNLPMBRUGYJN-UHFFFAOYSA-N
-816D0EF40EF21F66_27E8844CD0CAB6E5_6029_UN,C1CC(CN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)[N]4C=CC=N4,IICGSVGDMOIHPA-UHFFFAOYSA-N
-81E4FFF76E03450E_A9EABB3721C3556B_7019_UN,C(C(=O)NC1=CC=CC=C1)=CC3=NC2=C(O)C=CC=C2C=C3,ASQHVGCAFMBXDS-UHFFFAOYSA-N
-828233323FB389AA_F4F19C8AF5D30E0F_6028_UN,CC1=C(C=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=NN=CC=C3)(=O)=O)C,WWOWRKGLELYJRN-UONOGXRCSA-N
-82B1FF2F536CD2E9_0288F614A1D6628A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=C(C)N=CC=N3,PATFZDMXZKGTIH-UHFFFAOYSA-N
-8684D49DF99C9304_D3BEE7BD06DC9B14_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CC[S](CC4)(=O)=O,PVKSIQFJHWGNQE-UHFFFAOYSA-N
-86A86D7EBBF829AE_923DA070278C3838_6029_UN,C[N]1C=CN=C1C2=CC(=CC=C2)N[S](C3=NC(=N[NH]3)C4CC4)(=O)=O,VIDHQBIIJZTHOV-UHFFFAOYSA-N
-870EBAE2C12D706E_EC7672C506C2DE19_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC(C4=NC=C(C3CC3)C=N4)C5,RFUADNTVOZRFSF-UHFFFAOYSA-N
-8909784760E8BF1E_EB405FD4C5CC4387_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C=N[NH]2)C#N)(=O)=O,SHXHIHFGUQPIRP-UHFFFAOYSA-N
-8AEC4C0BCC60015A_43606BF040D3876D_6028_DP,O[C@H]1CN(CC1)[S](C2=NC=C[N]2C3=CC=C(C(C)C)C=C3)(=O)=O,MTJLNWNHXCTKRW-OAHLLOKOSA-N
-8B0084CF199EA066_EBD59986949451B6_6041_DP,FC1=C(C=CC(=C1)NC2=C(CO)C=CC=C2)C3CC(=O)OC(=O)C3,FQRFELYLUBOLOK-UHFFFAOYSA-N
-8BE39C7AC9C4CEC6_91117788928B395E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)C4CC4,BJZPBAJOJREEJZ-ZDUSSCGKSA-N
-8C2F7FA729EECCCC_C8F6EA7A6D3F475B_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CC(=C(C)C=C3O)C,KWAMOTYSKHBNGH-UHFFFAOYSA-N
-8C9DACA746AED64A_C7630D2B50C48D60_6038_UN,CO[C@@H]1CN(C[C@@H]1NC(C3=CC2=C(N(C)C)N=CN=C2[N]3C)=O)C4=NC(=NC=C4)N(C)C,OYZQQPMETNKIIX-GOEBONIOSA-N
-8D4D93F287E5FDC2_42C99947E283BE17_6029_UN,C1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,FUUYWZYKJQEMGI-UHFFFAOYSA-N
-8DDBAAE512CCE16D_65A56E28C8F517BA_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,XERXLKRDDAYAGG-UHFFFAOYSA-N
-8DEF604FDFCEB652_8DBE3AB88B26892B_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCC(C3=CC(=N[NH]3)N)CC4,WUSPHGLUQJFFMW-UHFFFAOYSA-N
-8E0E8FB64D0BF2E7_01C7BE6306460BDD_6041_UN,OC(=O)C1=C([N](N=C1)C2=CC=CC=C2)NC3=CCOC3=O,CPYHKCHRTFWYCV-UHFFFAOYSA-N
-8F3582878C169370_436BC2B9FCC8FC2F_6029_UN,CCC=C1CN(C1)[S](C3=C(CCl)C=C2OCCOC2=C3)(=O)=O,OWSMHUPENATVPR-UHFFFAOYSA-N
-8FD13C4750009129_F3851F32C19B01E1_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC4=C(N=C3)OCO4,HCCZKSGBFKHCGV-UHFFFAOYSA-N
-90AFA97332AAFE95_98AE840BAB3B1CD9_6038_UN,N(CC2=C1CCCC1=CC=C2)C(C3=CC=C([S](C)(=O)=O)[NH]3)=O,DHDWNGUILDZXFX-UHFFFAOYSA-N
-91201F56D1B117B9_5EA7E6277EE8BE69_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C4=CN=C(C3=NN=C[N]3C)C=C4)(=O)=O,KGDMLPGINZCCGX-UHFFFAOYSA-N
-91848D796E594B97_791A53A72431F75B_6041_UN,C1(=NC=CC(=C1)C2CC2)NC3=CC=CC4=C3OC(C)(C)CC4=O,AKZRLYWHFWBFIN-UHFFFAOYSA-N
-919DFFBCD155A854_98448823B01FEF5A_7019_UN,C(C(=O)NC2=C1C=CC=CC1=CC=C2)=CC3=C(C=C(O)C=C3)O,WTTLGZMKGFMMTJ-UHFFFAOYSA-N
-94B38FEDCFE61966_4874E720CFC2EBCF_7019_UN,C(C1=CC2=C(C=C1)NC(=O)O2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,NWGCKLJVMLZUDX-UHFFFAOYSA-N
-960299FD497ACC3D_7660592B66F959ED_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CC[S](CC3)(=O)=O,UFHDFLDEQRDKNN-UHFFFAOYSA-N
-960F2826D46BAB62_02D691AE5D21EC07_6034_UN,CC1=C(N(C(S1)=O)CC2CC(OC)C2)C3=CC=CC=C3,XEHVWFIJJZVNBW-UHFFFAOYSA-N
-96A1B7C01F37F88E_59F9B4616734B083_6003_UN,CCCC(OC1=CC=C2C(=C1)OCCNC2=O)CC=C,OOASXCFYYXUPCD-UHFFFAOYSA-N
-98F073EF9D40F19F_16F01732AFAAA5FA_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C([N](=O)=O)C=C2F)C=C3,LEUCGKAGYHJNLM-UHFFFAOYSA-N
-98F927CC75A5C1EF_57948E3FD38E4781_6038_DP,N3C[C@@H](NC(=O)C2=CC=C(C[N]1C=CC(=N1)[N](=O)=O)O2)[C@H](C3)[N]4C=CN=N4,LIKHBMBCPUYYMP-NEPJUHHUSA-N
-99750E322EEBE7DB_846AFFD19BDD9F2F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CN=C([S](C)(=O)=O)C=C4,WPYOLXJPIVENNZ-UHFFFAOYSA-N
-997FE7215A09DDE0_C63FDC0C187A8F4F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4C[S](CC4)(=O)=O,DOGIBNDTRRFGRH-UHFFFAOYSA-N
-99998FE86E64D8D8_92F22F80E551A302_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2Cl)OC,KQRZCXQXAGMMEA-UHFFFAOYSA-N
-9A8DDD2259779CC9_D089487E6CF8DC05_6028_UN,N(CCC1=CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,IYHLSHOCURRYNQ-UHFFFAOYSA-N
-9B1E05355AE93746_0718B31EC4196B9C_6029_UN,C1N(CCN(C1)C2=NC=CS2)[S](C3=C[NH]N=C3C4=NC=CN=C4)(=O)=O,KMVOCWCQWAKTQN-UHFFFAOYSA-N
-9B39F6CAA2BF61CF_8324E2284AF3C6B5_6029_UN,C1CN(CCN1[S](C2=C(C)C=CN=C2F)(=O)=O)C3=NN=CC=C3,CVBFOFNKTYDKIO-UHFFFAOYSA-N
-9BDF230A7E312AC3_51260B0286F28524_6005_UN,C1(=C(C=CC=C1)C2COC(=O)N2)C3=C(OC)C(=CC=C3)O,QBTPMEILJZVFJQ-UHFFFAOYSA-N
-9C08AD0EABBE147D_BBB67EB82507D1DA_6029_UN,C1CN(CCN1[S](C3=C[N]2N=CN=C2N=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,GHTCAWKYBOBUDH-UHFFFAOYSA-N
-9C51BCFF4179A762_C5B2CA31BB550E69_6041_DP,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC=CC(=C3)C(O)=O,UWXAXPRECHGZPN-UHFFFAOYSA-N
-9C8B6D7890141EB4_97633FE6C692D88E_6034_UN,CO[C@@H]1C[C@H](NC1)C2=NN=CN2C3=CC=CC=CC3=O,WRTBCMQEZJLSSO-MNOVXSKESA-N
-9CE1DFD2973E63EE_014D6828A9AC6378_6038_UN,N([C@H]1[C@@H](OCC1)C2=N[NH]C=C2)C(=O)C3=CC(=CC=C3)C4=NNC(=O)N4,DLALSWMRXYSIBY-DGCLKSJQSA-N
-9D93C22B1358B80F_DB6714E59E3D5762_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCCC3,RRPKERYGWGJGIX-UHFFFAOYSA-N
-9E7F768F0D2DA49E_18D443B179758AB2_7019_UN,C(C2=CC1=C(C=CC=C1)OC2=O)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,KEBMBECTQNIEJX-UHFFFAOYSA-N
-A036E18E709F94DB_938230AECB401412_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,QBOWSSMLDIBVNL-UHFFFAOYSA-N
-A12F36FCF88876EC_A6B3B0DDD00843DF_6038_DP,N(CC=CC1=CC=CC=C1)C(C2=NC=C(C(O)=O)C=C2)=O,SOKRVRNXWIMWNW-UHFFFAOYSA-N
-A175E1378D34DC17_0376D42EF370345B_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCC3C[S](C3)(=O)=O,ZYDZRWVJOKWKOG-UHFFFAOYSA-N
-A20048930126C340_12E5111B87CA0D43_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=CN=C(COC)N=C3,YWSXJVSUCRZBTA-UHFFFAOYSA-N
-A2CD5E8C8A626250_6C91C39CDDE7B92D_6029_UN,CC1CN(CCN1[S](C2=CN=C(Cl)C=N2)(=O)=O)C3=NC(=CC=C3)C,QHIYEOHGVDWFCN-UHFFFAOYSA-N
-A37751E805F7D814_57CE57C4D0D14673_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2N[C@H]3C[C@H](C(OC)=O)CC=C3,KGNOGUNVRSHFJM-GHMZBOCLSA-N
-A39CD761EFEBB299_816D6D2078E3B525_6041_UN,CC(C)CC1=NC=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,RZEXJTCHWCALKC-HNNXBMFYSA-N
-A5B0F8BA8BF23505_E2E749D56CF1E4D0_6041_UN,C[N]1C=NC2=C1N=C(N=C2)N[C@H]3C[C@H](C(OC)=O)CC=C3,FNBNZBDLQMGGOQ-NXEZZACHSA-N
-A620134AB4C64F56_FA8CEE027EF306E9_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCCC3,IKEZFYSDUTYIJM-UHFFFAOYSA-N
-A6FDAA18DA6B9AFE_802BBC43789CF893_6028_UN,C1CN(CCN1[S](C2=CN=N[N]2C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,IRPLDPMDZSXHCB-UHFFFAOYSA-N
-A750DA43614E44BC_4F10D013B91B42D2_6026_UN,CC1=C(SC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)C,NYWUFVBMUDPIPW-UHFFFAOYSA-N
-A7CCCBC410083497_1CB632F758A5B591_6034_UN,O=C2C=CN(C1CC1)C(=O)N2CC3=CC=C(COC)C=C3,ZPNHZRBYWGKGQX-UHFFFAOYSA-N
-ABA15AB89D66C7A3_833B9BFB0F527163_6029_UN,C1=N[N](C=C1C2=NC=NC=C2)[S](C4=CC=C([C@@H]3C[C@H](O)C3)C=C4)(=O)=O,XPIFNPWDHUHNPG-OTVXOJSOSA-N
-AC0F6F492C6C09CB_B095B1224EE05C63_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](COC)CC3,LBKDBYSOZHJDDD-NWDGAFQWSA-N
-AC0F6F492C6C09CB_DE533C3D03AB8737_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](COC)CC3,LBKDBYSOZHJDDD-NWDGAFQWSA-N
-AD0E31F714145110_AC8DA9BCB38DC79B_7019_UN,C[N]3C=C(C=CC2=C(C)NC1=NC=N[N]1C2C)C(=N3)[N](=O)=O,BWYXJFVXKOUACC-UHFFFAOYSA-N
-AD9380AE12893F11_3B1357CEEE375D4F_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CC=N3,IYNJGOSTTXTWSD-UHFFFAOYSA-N
-AF2A0CE89BC3729B_73A969093CE22FDF_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC=C(OC)C=C3)(=O)=O,SORREKJLJJELCE-UHFFFAOYSA-N
-B0ED4D5E74997044_D635B211E1029FBE_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(CCC)C=C3)(=O)=O,YAXMBULXNLOLJY-UHFFFAOYSA-N
-B108C7CDA7A8A7B7_DF12D510CA6039B8_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(OCCN(C)C)N=CC=C3)(=O)=O,TUCPGAGLULZVTL-UHFFFAOYSA-N
-B143BF1EE58B3BC6_AF231D9126C92686_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O)C,SQRVCDIBERGCOG-UHFFFAOYSA-N
-B15B4EB27E07EB57_D079331D5825A105_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,MVQSTSVQGXZOFQ-INIZCTEOSA-N
-B29CF3115F31C6FC_4752726F4C87B79D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N(C)CC3=C[N](C)C=N3,LCZZBUXCPLBNDJ-UHFFFAOYSA-N
-B2AADCCBEDB33577_04021A9FAC204D35_6041_UN,CC1=C(N=C(N=C1)N[C@H]3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,HTKCSXQXABCFSS-CYBMUJFWSA-N
-B35E0284D734DCB1_5E4FFDEA3871C96D_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,SQBBXRUQRMXJAH-UHFFFAOYSA-N
-B48CD09026E35283_8F06FA57FF659E1D_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCCC3,MTVUZPHOTNYNKG-UHFFFAOYSA-N
-B642AD4F4551FABF_6D7EE037C1378594_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,KLXFQGJLHAMGBS-UHFFFAOYSA-N
-B6E4BD1870A109DA_5D3BE88F137CE44C_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)F,LBYFOPYEOPOPQB-UHFFFAOYSA-N
-B78A8609E7F87023_7BABA95EEE9E8F6E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)C4CC4,NNFRUZSTQZPXQT-HNNXBMFYSA-N
-B9826C3A29DEF4FB_33FE80A0E81AC626_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3=CC=CC(=C3)C[S](C)(=O)=O,QDORVNMABJNEOK-UHFFFAOYSA-N
-B997452DE7CCB034_D5DFEA774C8435AF_6041_UN,OC(=O)CCC1=CC=C(S1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,DVHFAAPUDMBPKP-RSMPGPOFSA-N
-BA72BB84EB065F07_F0B1F139D8B23973_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3C[S](CCC3)(=O)=O,LDQSRWHFUOELCS-UHFFFAOYSA-N
-BB05D096FD2F2698_12B18D4A9852317C_6029_UN,FC1CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,YERVLVNYFBGULJ-UHFFFAOYSA-N
-BB0AA6D1B793FE5F_E6811F04080930F7_6029_UN,CC1=C(C=CC(=C1)C2CC2)N[S](C3=C(C)C=C(N=C3)O)(=O)=O,ZEJBSVXVBDGECP-UHFFFAOYSA-N
-BBDD1B6C73385D2F_74117CF819384D94_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,HKZPXVIENIPXFL-UHFFFAOYSA-N
-BC5DA4108980F016_7BCFA003E9FBD350_6028_UN,C1CN(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NN=CC=N5,HUBXHAMKMJQHND-UHFFFAOYSA-N
-BC9021D08F007329_4415941CACE391F8_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CN=C(CC(C)C)C=C3)(=O)=O,BIXXLFAFKJLENA-UHFFFAOYSA-N
-BD17E1FCBA3FC87D_C2C827F1E2A52999_6041_UN,O=[N]1=CC=C(C=C1)NC2C3=C(OCC2OC)C=CC=C3,KEGOJWRNKMBFCB-UHFFFAOYSA-N
-BD1BA27664B42871_40600F587054EC56_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CN=C4,MKFBDDRIFPEUQB-UHFFFAOYSA-N
-BD492575232B7629_E1A1FCCA0874663C_6035_UN,O(C2CN(C1CC1)C(=O)C2)C3=C(CCOC)C=CC=C3,QCJOWSCOPUQQFJ-UHFFFAOYSA-N
-BF1A521EF0926B5E_4CD335FBF4AAAFA1_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=C(C)C=C3)(=O)=O)C4=NC=CS4,ZFSUAKFFSGDYMP-UHFFFAOYSA-N
-BF6ED562F5FB4325_F37007B8C360E4F9_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)N[C@@H](CC)C3=CC(=CC=C3)[N](=O)=O,HBIHOOIVSALSNC-AWEZNQCLSA-N
-BFBCBE0456E91BE9_C4298E7EF1108173_6029_UN,C1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C4=NC=CC=N4,XIVORHXTEQQMSK-UHFFFAOYSA-N
-C0236551D78C57E2_695A1D1D12B549BF_6028_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=NC=C(C)C=C2)(=O)=O)CC3,JUKNXNYKNZSAJO-UHFFFAOYSA-N
-C0715E11E42DD5BF_39AEF0964FC248B8_6006_UN,C2(=C1SCCC(C1=CC=C2)=O)C3=C(C(C)(C)C)C=CC=C3,NOOGDOPTZNWHBM-UHFFFAOYSA-N
-C0CB34CF6F8E2F24_12888DD82BC29803_6038_UN,CN(C)C(=O)COC1=CC(=C(C=C1)NC(=O)C2=CC=CN3C2=NCC3)F,SQCSVBKVDYUGSH-UHFFFAOYSA-N
-C13D33EEC74758E3_4A0DB54FF0DB6C2B_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=C(C=C2)[N](=O)=O)F)C=C3,YUPCIZKBVKLNMP-UHFFFAOYSA-N
-C1D65C8D2BE1145E_391A07935EF9CF04_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)C(=NC=C3)C,LNGNEEXENGUORM-UHFFFAOYSA-N
-C2B6B38A07497AB7_57529783C70C534D_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CC[S](CC3)(=O)=O,DBXFXBBRJSBLDT-UHFFFAOYSA-N
-C363A6DFA0BA10F5_3DC8D956BBD885D4_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2=CC=CC3=C2OCCC3N(C)C,AJHSKBUXCNJGTN-UHFFFAOYSA-N
-C409DC81BA66C0F1_2B8B235C99BD0CF2_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)N=CN=C3N(C)C,MFONYODBUJAHLN-UHFFFAOYSA-N
-C40A780CB04A57D9_254C446FB778935A_6038_DP,N(C1=C(C=CC=C1)SC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,XIVSPNYHUZXPAM-UHFFFAOYSA-N
-C45113F0552522ED_D7169C7B90FAA7D7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CC=C(C=C3)OC4=NC=CC=N4,ABTNNYVNMMCYJK-UHFFFAOYSA-N
-C560AE9D4499D687_B6A4C10471FC06A5_6041_UN,C[N]1C=NC2=C1N=C(N=C2)N[C@@H](C(C)C)C(=O)N(C)C,JFIOXPYLQKTWDJ-JTQLQIEISA-N
-C62CE5A39E8F357B_B32B410C0114D774_6028_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=NN=C(C)C=C3)(=O)=O,ACGJBVFNNPUBOE-UONOGXRCSA-N
-C6410AA861955C65_E4589C2B15E97C73_6029_DP,C1CN(CCN1[S](C2=C[NH]N=C2C3=NC=CC=C3)(=O)=O)C4=CC=CS4,MHKGPBQYHHMETM-UHFFFAOYSA-N
-C6410AA861955C65_EAD02212961F491F_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=NC=CC=C3)(=O)=O)C4=CC=CS4,MHKGPBQYHHMETM-UHFFFAOYSA-N
-C71072B1C809E8B3_81F5892DD706C9B9_6028_DP,OC1CCN(CC1)[S](C2=NC=C[N]2C3=CC=C(C(C)C)C=C3)(=O)=O,GSSMRNUNSOVZID-UHFFFAOYSA-N
-C7F93936DCD5EA1C_D05AE00CC14715A8_6029_UN,C1CN(CCN1[S](C3=C[N]2C=CN=C(Cl)C2=C3)(=O)=O)C4=NN=CC=N4,VFXKUUMGFFVRFJ-UHFFFAOYSA-N
-C823A69B0D0DD33C_17DB28845543281E_6041_UN,CC1=NC(=NC(=C1)NCC2=CC3=C(C=C2)OCCC3)[S](=O)(=O)C,NKIWPMGEUWVQMC-UHFFFAOYSA-N
-C8B0B69063FBABC4_501006DF4244EEE7_6041_UN,CC1=C(N=C(N=C1)NC2=CC=CC3=C2OCCC3N(C)C)[S](=O)(=O)C,DDRIMWMNMNGVLW-UHFFFAOYSA-N
-C8B34144920D1486_9E77417167A75407_6038_UN,COC1=C(C(=NC=C1)OC)NC(=O)C2C=CC=CC=C2,QICMFFIAUPNZBH-UHFFFAOYSA-N
-C8DB349563AEE31D_F6CFAB4EFE3084E4_6038_DP,N(C1=C(C=CC=C1)N2C3=C(CC2)C=CC=C3)C(C4=C(CO)C=CC=C4)=O,SPFDKVUHDHXIGP-UHFFFAOYSA-N
-C9C0B1A0EE70BAAF_D538AA5157624606_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C[S](C)(=O)=O)C=C4,YHNHCCJPJDJDHX-UHFFFAOYSA-N
-CA0AD4CCFA02039F_DFC38B035E885068_6029_DP,N1C[C@@H]([C@H]1CN[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CC=CC=C4,VQRHOGUYHKGCCH-QZTJIDSGSA-N
-CA4BE1DDA4DC1962_C7678B5CB826CBA3_6041_UN,C1(=NC=NC(=C1)C2CCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,QZHPWNSSCABLFJ-AWEZNQCLSA-N
-CA5299535E418C5E_E8771F6C83427E35_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(COC3=CC=CC=C3)CC4,FLOCDUQUCGWNNE-UHFFFAOYSA-N
-CAABE2736DEB1F5F_48C7B7D1C77F43BF_6041_UN,CC1=N[NH]C2=C1C(=NC=C2)NC4C[C@@H]3OC(O[C@@H]3C4)=O,ILSZSUVCCKDXSV-RSMPGPOFSA-N
-CBB219FC38D67244_9DB068421A9F0BE3_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=CN=C(C)C=N3,WEWJZPWHUNEULG-UHFFFAOYSA-N
-CBC2D6C4799A7811_C815D18568014CA1_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=CC=C(F)C=C3)(=O)=O)C4=NN=CC=N4,OSAJJLIWXFZUMP-UHFFFAOYSA-N
-CCC089F9CF459014_FE98813414445FA3_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=N[N]3C4CCCC4,KMCLGJNWSZSIHJ-UHFFFAOYSA-N
-CD2FECD4D3B4C002_F91185F06D6D3111_6005_UN,C1(=CC=C(C=C1)C2CCCCC2)C3=C(OC)C(=CC=C3)O,DBGVXODZEODSFP-UHFFFAOYSA-N
-CE51D74A8407F2A9_3CBE9D4826313BE5_6029_UN,C1CSCN(C1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,QQLBZWONKNPCPI-UHFFFAOYSA-N
-CF4FA51B75D1C6F2_18AE23F4140417A7_6041_UN,O=[N]1=CC(=NC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,NUXABBPUXSDOOH-UHFFFAOYSA-N
-D0FFD505BD397A3F_8127AC645B1AA427_6041_UN,FC1=C(N=C(C=C1)NC3CCN(C2=NC=CN(CC)C2=O)CC3)C#N,NQMQFUWOUROUNA-UHFFFAOYSA-N
-D228905520A77020_FC1AA01C45EEC402_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CC(C3=CC=C[N]3C)NCC4,QKHXRTFVPDIDMH-UHFFFAOYSA-N
-D2CD64B3DB4D4328_6142AD01C6A4EDCF_6041_UN,C1(=NC(=NC=C1)C2CC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,BEPSYEZRPLQCEN-ZDUSSCGKSA-N
-D3E0EDE7713CD7E4_C1D1245D7DAED599_6029_UN,CC1=CC2=C(C=C1)CN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,LBJFYUGARDBPEJ-UHFFFAOYSA-N
-D3E6E3D2F77CF8DF_55AA3A3501FC6CD9_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C4=CC(=C3[NH]N=CC3=C4)C)(=O)=O,SHXVEPQYIQFGRV-UHFFFAOYSA-N
-D40CD6297B6737C4_A186FCE65886C59E_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3C[S](CC3)(=O)=O,GBAPDTJFRDXRCB-UHFFFAOYSA-N
-D88702236283D041_FDAF9A8C3FFB482B_6038_UN,CN(C)C(=O)C[N]3C=C(NC(=O)C2=CN1C(=NCC1)C=C2)C=N3,VEJRRJGZOXVQER-UHFFFAOYSA-N
-D93D6F652E78807B_79D78267226FA1C1_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)C4=CC=CC=C4,LPNBBFNXWHANTN-UHFFFAOYSA-N
-D970658EFC939903_937CCFDB14AD91A2_6026_UN,COC1=NC=C(C=N1)[S](=O)(=O)NCC2=CC=C(C=C2)N3CC=CC3,PLTKGEFVGIOAPR-UHFFFAOYSA-N
-DC5707994451760C_B29E9FF8678B18C4_6029_UN,C1CN(CCN1[S](C3=C[N]2N=C(C)C=C2N=C3)(=O)=O)C4=CC=CS4,XJRDAEMEKMRJNH-UHFFFAOYSA-N
-DCCA5357B7353123_DDD1CBF675049C4B_6041_UN,C[N]1C=C([N](=O)=O)C(=N1)NC(C2=N[NH]C(=N2)C(CC)C)C,WFERUHHIFRIYNM-UHFFFAOYSA-N
-DD4253D28B376E09_2B08414E19F4241A_6029_UN,C1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NC=CC=N4,YIVTXRNRKORSHE-UHFFFAOYSA-N
-DD7AB6784C73684B_6F5D7C86A8986AF5_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC=C3O,JMMPORBMQWIDJG-UHFFFAOYSA-N
-DDFDE3FDFD253BCE_C708A8CEC6C0E338_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)C4=NC=CS4,IGJNDCHDQSREKX-UHFFFAOYSA-N
-DE45DB4DDC8037B3_5D6AC76FCD30C4F0_6038_UN,N(C1=CC(=C(C=C1)[N]2C=NC=N2)F)C(C3=N[NH]C(=C3)C4CCCN4C)=O,OPWHANWEMSBVTA-UHFFFAOYSA-N
-DF167F71D378C651_56FAE87AEF03AA7B_6043_UN,ClC1=C(N=CC(=N1)N2CCOCC2)N3CC(C)[S]3(=O)=O,UGDFISABKQBDPO-UHFFFAOYSA-N
-DFD259D30BF99CA1_AC9BB4EF6A5D1CB9_6035_UN,CC4=CN1C(=NCC(C1)OC3=CC2=C(C(C)CC(=O)O2)C=C3)C=C4,MQOBZBHQFRRHIB-UHFFFAOYSA-N
-E0304A073807D9EC_EE28FAB030F7323A_6029_UN,C1CN(CCN1[S](C2=CN=C(F)N=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,KRLUBBPOEPTBFL-UHFFFAOYSA-N
-E2056D8A4A3FB6F2_652B14673F67FF93_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@@H]4[C@H](C)C[S](C4)(=O)=O,IKMQLDDVSFTRFU-YPMHNXCESA-N
-E2968CF65BE06BB0_2F6CD1C01A508870_6029_UN,C1CN(CCN1[S](C2=CN=C(Cl)N=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BOGKUMJCMBMTHV-UHFFFAOYSA-N
-E3C3CFADF996F57E_D8DE4264F079B7DF_6041_UN,CC1=C(N=C(N=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)(=O)C,FELLRXOQYUUONX-CYBMUJFWSA-N
-E402E0AC6311206F_AA14A6ED9754DF84_6038_UN,CC2=N[N]1CC(CCC1=N2)NC(=O)C3=CC=[N](C=C3)=O,ZDRMGRBJLUXCOV-UHFFFAOYSA-N
-E5797E8FE4FE4EBC_420236596593400C_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C(=C2)OC)C#N)C=C3,PIFHHYIXMOIKGT-UHFFFAOYSA-N
-E692CA9A07481C70_ABC56B63C15BA768_6041_UN,SC1=C(C=CC=C1)NC2=C(C=CC=C2)N3CCOC3=O,GRNZZKDPFBFHJW-UHFFFAOYSA-N
-E797F1715B40933A_AAFA448A058C9800_6029_UN,BrC1CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,CTHTXXGGBNWPIV-UHFFFAOYSA-N
-E8441A9BA2E967B7_1966FFE431FCC864_6029_UN,O[C@@H]1CN(CC1)[S](C3=CC=C(C2=N[N](C(C)C)C=C2)C=C3)(=O)=O,PNUGRIJXVRDIMY-AWEZNQCLSA-N
-EA132D1B5B45C474_5A48D1854D68E88D_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)Br,ARTZEOIWBHWSKG-UHFFFAOYSA-N
-EA8F880C4AA9A039_F0FC3527A70D428A_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCC(C3=CC(=N[NH]3)N)CC4,CSCRGVYWKLGZRI-UHFFFAOYSA-N
-EB1A67861C6259F5_E4FD44422A4BCE65_6034_UN,O=C2C=CN(C1CC1)C(=O)N2CC3=C(COC)C=CC=C3,IYTFKQJMZXBMIN-UHFFFAOYSA-N
-EB3BE0B80AECC647_91706CD24BEC4080_6028_UN,C1CC(CCN1[S](C2=CN=N[NH]2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,FSWOUHLWYSSBNZ-UHFFFAOYSA-N
-EB803F2F96EDE91C_D2588665B568C73C_6041_UN,CC1=NC(=NC(=C1)NC(C)C2=CC3=C(C=C2)OCCC3)[S](=O)(=O)C,RGWMIVYGTOJIDP-UHFFFAOYSA-N
-EB9A025B787D0BD3_AE64B8A657BB969E_6029_UN,N(C1CCC=CCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,BYVDCSNAPWKWFB-UHFFFAOYSA-N
-EBA4164B88826ECC_E3703B7B2D28B362_6038_UN,COC1=NC(=C(C=C1)CNC(=O)C2C=CC=CC=C2)OC,BMIBEWGMGHESJP-UHFFFAOYSA-N
-EBF023BFDFAB7FBE_AB676AF8504E9002_6005_UN,OC1=C(C=C(C=C1)C2=CC=C(C)C=C2)C3=CC=CC=C3,PMZVLCNJMUCFHE-UHFFFAOYSA-N
-EC1A61B4BE873293_DD51075E61C79D10_6029_UN,C1CC(=CCN1[S](C3=C2N=C(C)C=C[N]2N=C3)(=O)=O)C4=NC=CS4,OFAKKRVRGVRMRS-UHFFFAOYSA-N
-EDA0FD536D1D51E2_C36F6F34800617B6_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCC3CC[S](CC3)(=O)=O,ZABIXNBWEVEBSI-UHFFFAOYSA-N
-EFB1B5BCE2DDEB75_233A1ECC3AD3CD61_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=NN=CC=N3,JNUZXRTZBZBPCP-UHFFFAOYSA-N
-F03121BCDC25B6B6_B3EA84CCAE239F41_6034_UN,COC1=CC2=C(C=C1)C(=O)N(C=N2)C3=CC=CC=CC3=O,PHDLOZBZYLVKHD-UHFFFAOYSA-N
-F4614D49B0C7F32C_EE5DF921454C21CB_6031_DP,CO[C@@H]1CNC[C@H]1C3=C[N](CC(=O)OCC[N]2C=C(Cl)C(=N2)[N](=O)=O)N=N3,UFCSBGWIOQQPHL-JOYOIKCWSA-N
-FAF944D2B5E4EFF7_665D8B27D7992D19_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NCCC3=C(C)N=CC=N3,IFOATBWVFBWPBV-UHFFFAOYSA-N
-FB09E3525D2B4CC1_C09B3914A4C43009_6028_DP,OC1CN(CCC1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,BRWIBGHHTBRCGP-UHFFFAOYSA-N
-FCFA611C00916DB9_3F3E541DA0453D02_6041_UN,OC(=O)C1=CC(=CC(=C1)NC2=CC3=C(C=C2)SC4=NCCN34)[N](=O)=O,ZYWWHDNYETYDLO-UHFFFAOYSA-N
-FD061701508D8D48_DA5374A4915A6063_6005_UN,CC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C)OC3CCCC3,RRTIYZJLFGKTRB-UHFFFAOYSA-N
-FD228E837413BAA9_A5ACD5B3C940FD79_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)C4CC4,NNFRUZSTQZPXQT-OAHLLOKOSA-N
-FE3583C865DF95A7_D903F2CF3594FF8E_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C=CC(=C4)C)[S](=O)(=O)C,ACHLDJHEHKVQOA-UHFFFAOYSA-N
-FF2A3105D815EF95_CB8DB2CFADB47647_6029_UN,C1CN(CCN1[S](C2=CSC(=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,QLGDXHIHPPKRLV-UHFFFAOYSA-N
-00253B9B8064366F_95BCCC6A26753A42_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,SBFRNIHBCQYPAV-HNNXBMFYSA-N
-00666AFAE93C8156_001DAD5F4C17B2A1_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CO)C=CC(=N3)F)(=O)=O,ALPGSLWOVZSYMY-UHFFFAOYSA-N
-01AADABFFD511F87_987EAE89FE6DDE91_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)CC(C3=CC=C(N)C=C3)(O)C4,PDLFWCGMVQYZEK-UHFFFAOYSA-N
-020800DDE8D3F586_125C2F4F0CFD6B33_6038_UN,CN(C)CCOC1=CC(=NC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,KSROHMNRNZHEGK-UHFFFAOYSA-N
-042C6DB6B5303B45_BF620D43A4C10E3F_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CCC#C)C(=O)O,XWNRKQLTBVKOQP-LBPRGKRZSA-N
-048012D777A7C5C8_2B94C9AB40F4B59D_6041_UN,CN(C)C(=O)C[N]1C=C(C=N1)NC2=CC3=C(C=C2)SC4=NCCN34,UYKPRJFTHDZKCU-UHFFFAOYSA-N
-054A82404E3C048C_C2D8F49E9FAABCED_6029_UN,OC(=O)C1=CC2=C(C=C1)N(CCS2)[S](C3=CC4=C(C=C3)C(=N[NH]4)I)(=O)=O,MGIGJFIHQZHBDH-UHFFFAOYSA-N
-05504B0A6F934E0A_5F04F8F7D3A4348E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C4=C(OC3(C2)CCOCC3)C=CC=C4)C5CC5,UCHUQQOERPQMQJ-UHFFFAOYSA-N
-06892E65A70CEFFF_B3ADC89D8C8E0B2B_6038_UN,COC1=C(C=CC(=C1)CN(C)C)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FSONOLPBUGFEAL-UHFFFAOYSA-N
-06E522A230C86B07_6F817E01C000F688_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(C3=CN(C)C(N3C)=O)=O,NNHBNDBYNKFGKF-RYUDHWBXSA-N
-06FAFFDEA8CBCD7B_CA8CE0A3B5D0FE23_6027_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,GSIHLWSIYQRTED-UHFFFAOYSA-N
-078DC76E5BB474D9_952AE177850040B9_6038_UN,COC1=C(C=CC=C1)CCNC(CN2C(CN(C)C2=O)=O)=O,RVUJXTXZWKGOCC-UHFFFAOYSA-N
-08A5923DAA3ED631_935BB5EAAC7D0BB1_7017_UN,N4([S](=O)(=O)C1=C(C=CC(=C1)F)Br)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,FVEQQGBCIYBXPS-UHFFFAOYSA-N
-0B1596ECA45DD4F5_873EE973A777C4A1_6038_UN,CC(=C(C)COC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C,LZDBBYPPIHIXKC-UHFFFAOYSA-N
-0CE0814DA558840C_32B5B9B599FEA70D_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N2CCC(CC2)C4=NC3=C(C=CC=C3)S4)OC5=CC=CC=C5,BMGIZJJOWMYYLO-UHFFFAOYSA-N
-0E047F4A013025DB_607C0915FB7E1AD5_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=C(C=N3)Br)CC#N,DDCLKTQQBAXOED-UHFFFAOYSA-N
-0E94CB72182DD8CD_CF8D7F0B6C97ABD9_6029_UN,ClC1=NC=NC(=C1)N2CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,SXPMXLCXPYFYNQ-UHFFFAOYSA-N
-0F401EA893D32513_64F8987E048D6784_6039_UN,OC(=O)C1=C(C=CC(=C1)NC(=O)C=C)OCCN2C(=O)CNC2=O,UACIPCLHUXNKCU-UHFFFAOYSA-N
-118979E160F4384D_1CFFED20318FE3C2_6038_UN,CC(C)[N]2C=C(CC(C)OC(C1(C(N(C)C)=O)CC1)=O)N=N2,WPHWVIGKYRDSGX-UHFFFAOYSA-N
-120074F4236AABD7_4BD753C383B76ADA_6028_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=NC=C3)C)(=O)=O,KYGMVOIKTRNVSR-UHFFFAOYSA-N
-121349340120D702_C665EF196F5A579E_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(CC(CC(OC)=O)(C)C)=O,YUPCBCXTHHQDQS-UHFFFAOYSA-N
-12C931A8D52C5E9C_BC3A75989583FA8E_6031_UN,CCOC(=O)N(C)CC(=O)OCC1=C(C(OC)=O)SC=C1,MXDSQIPHVLLUSK-UHFFFAOYSA-N
-13C30F81B89D1D29_7FC33871E71763C5_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=C(C(O)=O)C=N3)=O,VUKXXGJECLWWNP-NSHDSACASA-N
-143A9A6CA4FDBA87_B73C5FE8C770DA93_6031_DP,CCOC(=O)C(N)C(=O)OCC1=C(C(OC)=O)SC=C1,XTIXDETYVXQTTE-UHFFFAOYSA-N
-148ED333135FDC2D_6179709A3F5F1D14_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(C(O)=O)C=N3)=O,RFVLNLWIGMDGOB-UHFFFAOYSA-N
-14CC32F323822247_E032B51BB972F9A9_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C4[N]2C3=C(C=C(C)C=C3C)C(=C4)C)(=O)=O,XMUUWMSQVFOJLL-UHFFFAOYSA-N
-1740E51CDF2857CD_61C6521C7A6FA46E_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)C)F,JFDRNMNLHNUGEP-UHFFFAOYSA-N
-1777CF84BE6E5B89_1FA99A3A77167FAA_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CS4,RVULOMRPQJPUMY-UHFFFAOYSA-N
-18EEB3D66B57114A_642A2739FDA96988_6029_UN,C1N(CCN(C1)C2=CN=NC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,ZWWWZHZAQCMSHE-LBPRGKRZSA-N
-193E512C77B439F3_BBF5FD14CD6A926A_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C4=C(OC3(C2)COCC3)C=CC=C4)C5CC5,DRSBPESFODIIMA-UHFFFAOYSA-N
-1A5EDD71D1D548BE_4EB57B8048DFB337_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CN=CC=C4,AOJSWAWKMAXWBH-UHFFFAOYSA-N
-1AFB5182308D7D43_9338E07C9238E2E2_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](COCC)C(=O)O,QZTVMJDTRNXVNN-NSHDSACASA-N
-1C8DA6F658AC409B_D5B04158FFD3A647_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,OFNRZNFXZVJSCJ-UHFFFAOYSA-N
-1C9428A487DAF588_7EF6FADA0B59CAA4_6038_UN,CC3(C)CC(NC(CCCN1C(CN(C)C1=O)=O)=O)C2=C(C=CC=C2)O3,JTIWBIWNVOPWET-UHFFFAOYSA-N
-1D9CF577D97CD8D1_F82F6A8ECF545D57_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(CO)C=CC(=N3)F)(=O)=O,GCWUDOARZSQAHB-UHFFFAOYSA-N
-1DAF7E141E5E32D1_01B1FBA09D9BBCAA_6038_UN,CCCC(SC(CCC1=C(C(OC)=O)N=CO1)=O)CCC,FGURLZYUFPIILC-UHFFFAOYSA-N
-1ECEDA09E4606C58_12CFCE09A2CBE7C6_7017_UN,N4([S](=O)(=O)C1=C(C=CC(=C1)I)Cl)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,CBLOLLZGELOIFG-UHFFFAOYSA-N
-1F0F85EFE21824AD_0AEEECEA1417CB29_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(C)N2CCNCC2=O)=O,NYSRFIWTAAVAAC-UHFFFAOYSA-N
-1FFC8786FC930A3A_F5AE473582C5AC97_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)N(C)C,ISXZETJJQXBQQJ-ZDUSSCGKSA-N
-200FBC92367FB4A1_0C6775209EF4701D_6038_UN,N[S](=O)(=O)C1=C(C(=C(C=C1)OC(=O)C3=CN2C(=NCC2)C=C3)Cl)Cl,QKNYQJGEOSPPHR-UHFFFAOYSA-N
-24288864B279DDC7_1C8B5C284BCE6E45_6029_UN,N(C1=C(CCC1)C#N)[S](C3=CC(=C(C[N]2C=C(C)C=N2)C=C3)F)(=O)=O,DKADYZXPVIVPOR-UHFFFAOYSA-N
-25BBB9018624C6A8_1B45C8AA4FE30B45_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=NC=C[N]3C)CC4,WUCUVSJMIYPNOY-UHFFFAOYSA-N
-27836279288B360D_B5A5AF08CB59442B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](COCC)C(=O)O,QZTVMJDTRNXVNN-LLVKDONJSA-N
-2856BA6B9D6CFD0B_FF742ED2DE1E4C4D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC[Si](C)(C)C,CJZBBPNCKYTSFM-UHFFFAOYSA-N
-293211C8B47B2972_7E2E22D183549B65_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,VFNOYWZIFFOUBA-LDCVWXEPSA-N
-2983215F342970D0_EE9BC2622E913B56_6038_UN,CN(C)CCOC1=NC=CC(=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,BNCAAEVIUSSNQQ-UHFFFAOYSA-N
-29C8526E9E03D0E1_A9B4FB74E362E6EA_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C)C=C3)CC4,QOTNPTNNBLIPGY-UHFFFAOYSA-N
-2A083D64EE8E5031_D82E7DBEBB76564F_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,VUCDNPRSPAFYJX-UHFFFAOYSA-N
-2AD107E65085E57E_1284BD8760DC977F_6038_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OC(C2(N(C)C)CC2)=O,SQGMQHAROYEZLJ-UHFFFAOYSA-N
-2B5DC879CE87491A_4383E2725050476E_6038_UN,COC(=O)[C@@H](NC(CN(CCOC)C)=O)CC1=C[N](C)C=N1,AWGDWMBFYHOVCM-LBPRGKRZSA-N
-2B893C12A90C5723_2C36417F30F74B2A_6029_UN,COC1(CN(C1)[S](C2=C(C)SC(=C2)B(O)O)(=O)=O)C3=NC=N[N]3C,LGLBLHXLAWKALQ-UHFFFAOYSA-N
-2BF4FD2F68CEBB61_8679A6675D3F87B0_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)C4CC4,BJZPBAJOJREEJZ-CYBMUJFWSA-N
-2C7C8EAF89515E8E_883D8B60F4223282_7019_UN,C(C1=CSC2=NCCCN12)=CC3=CC=CC4=C3N=C[N]4C,CZWSHCIFGIIZIP-UHFFFAOYSA-N
-2DDB21E86FDEE645_47A27D140457426F_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4)Br,VBJLJUBTUORQCX-UHFFFAOYSA-N
-2EA94AEEA8332DA0_CCB32B55B157A318_6038_UN,CCC2=CN=C(COC(=O)CCCCN1C(=O)C=CC1=O)S2,DPLVQISJHFQILE-UHFFFAOYSA-N
-2F28B554E70082F1_DFC8A936E9B0438F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CCC2)C3=N[NH]C=N3,HGLSWOYLMZHYRY-UHFFFAOYSA-N
-2FC374BB3B8983FF_B900A036C99A1147_7019_UN,C(C1=CSC2=NCCN12)=CC3=CC=CC4=C3N=C[N]4C,STCDOOYYYPIWSE-UHFFFAOYSA-N
-30A81633332D756D_8B658FA93ADB2CF4_6038_UN,COC1=CC(=CC=C1)NC(CCCN2C(CN(C)C2=O)=O)=O,LYMPLLOVCIKPKS-UHFFFAOYSA-N
-31192A10F0E41081_EDF09AC5617EE615_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(CC2=C(Cl)C=CC=C2)CC3)C,WQFGHHRCHNLKHS-UHFFFAOYSA-N
-3121AA1ED1871565_80333BF30F29F7DC_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)C(F)(F)F)(=O)=O,CZCXOXNGDVBGBL-UHFFFAOYSA-N
-3132C4A9C85054DD_6BB3EE0980D3B4BE_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,TUPBTJRFKCKSLZ-UHFFFAOYSA-N
-32733545E86A5B3C_4A8DC130B2CA2955_6038_UN,COC(=O)[C@@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=C[N](C)C=N2,SRCKNQYYIHCZCF-NSHDSACASA-N
-333C11BAE38759EF_65D69433618C4577_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CCN(C2=NC=C(C(N)=O)C=C2)CC3)=O,XICBKTMAEKVQQR-UHFFFAOYSA-N
-33B7F23379C7D572_68FC0EE4BC806235_6038_UN,CN(CC1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)C(=O)C,IAQDPLFEHDAYJR-UHFFFAOYSA-N
-341120E0BAD27CD3_5B99E0CA423F59E7_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCCC)=O)=O,RWVKSWBUGRPILP-UHFFFAOYSA-N
-341603C9CA3116FE_558964CD0EF15A0D_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,KKHKYLQRYRKEPF-UHFFFAOYSA-N
-341603C9CA3116FE_E447F99710F9FEFC_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,KKHKYLQRYRKEPF-UHFFFAOYSA-N
-342E1D0747595627_DAE4C4FA1E6CD21D_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,JDKXAFGZUBXKJH-UHFFFAOYSA-N
-35D1514E28C0E30C_0368146FC34D6B6B_6038_UN,CC1=NN=C(O1)N2[C@@H](C[C@@H](C2)F)CNC(C3=CC=CC(=N3)N(C)C)=O,MQIWWWXQFZNISP-RYUDHWBXSA-N
-35DC5E90BB555395_105452F07723010A_6029_UN,FC1=C(C(=CC=C1)F)C2=CCN(CC2)[S](C4=C(O)C=C3OCCOC3=C4)(=O)=O,ZJNZHVDZQWCMTR-UHFFFAOYSA-N
-361DF6A1D9D0C8BC_644EC85F1EED0759_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]3C2=CC=CC(=C2OCC3)C)C4CC4,IKHXAHWZVDUXMP-CQSZACIVSA-N
-3690F2961E3FD4DB_C093638DA58D03FF_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C(=CC(=C2)Cl)Cl,DAIKLIHTGRPUJF-UHFFFAOYSA-N
-379588E805B4E64F_9A1CF9F305153EDE_6038_UN,COC1=C(C=CC(=C1)OC(CN2C(CN(C)C2=O)=O)=O)F,JPWQLGOFWWYAEO-UHFFFAOYSA-N
-38D61BE41AA70748_2AC3EF53318A946F_6036_UN,COC1=CC=C(C=C1)C2=CC(=CC=C2)CN([S](=O)(=O)C3=CC=CS3)C4CCNCC4,VVRUEVOULHKNFO-UHFFFAOYSA-N
-3921AF48F6BBB151_564E0AB1B538116C_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,HITQRNPLPKERMF-UHFFFAOYSA-N
-3959A20C8FCF3127_87A732C9C3D50AED_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,DAEGSDPPGQZTFP-UHFFFAOYSA-N
-395E42962C04811C_A3D6ACD3B228F768_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2CCOC3=C2C=C(CC)C=C3)C4CC4,FNRAPNLIJPVWBJ-HNNXBMFYSA-N
-3999E1998C200026_310AB17983A0C6FF_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)C=CC(O)=O)(=O)=O)C3=CC=CC=C3,MAGRYVPCEQGOLW-UHFFFAOYSA-N
-39E791320319E0BD_3E91BDC411F706A0_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=NC=C3)CC4)Br,QQYHUILLRFFNDG-UHFFFAOYSA-N
-3B9C95E11CC9FB34_45D8434E91F5CE83_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3)Cl)O4,JLTMUMPCIPDKGY-UHFFFAOYSA-N
-3C31858E83F2AFCB_79014D8B1872D027_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,RCQYPBQOFNNUQO-UHFFFAOYSA-N
-3ECE7B3A720FC0E6_2EA2890E35204E2D_6028_UN,N#CC1=CCN(CC1)[S](C3=NN=C(C2=CC(=C(C)C=C2)C)O3)(=O)=O,BRVLIAYWQOSUQM-UHFFFAOYSA-N
-3F4D3951DE07BCA6_4AA74FCE9BD3B60E_6029_UN,C1N(CCN(C1)C2=C3C(=CN=N2)C=CC=C3)[S](C5=C(C=C(C4(O)CC4)C=C5)C(F)(F)F)(=O)=O,KITGLYDQRHRLLM-UHFFFAOYSA-N
-4096BE561D40B253_AF45BF0BBCB2FA26_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2CC3=C(OC2)C=CC=C3)C4CC4,SZHNPXAPHHJXHX-UHFFFAOYSA-N
-40AC545E988AE2EE_DF30A81D24844EC0_6038_UN,COC1=CC(=C(C=C1)OC)C(OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)C[N](=O)=O,ADPMUGWIABKWMD-UHFFFAOYSA-N
-40C42B7B22FAAB21_9F9F33150662572C_6038_UN,CC3=CN=C4C(OC(C1=NOC(=C1C[N]2C=C(C=N2)[N](=O)=O)C)=O)CC[N]34,IJHFZBJJMQXVGP-UHFFFAOYSA-N
-40F7872EA07BA7C9_D3D200489D1A244C_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(Cl)C=CC=C3)CC4,HHAFGRRMWYZXSM-UHFFFAOYSA-N
-4268F513EE5A42C0_BFFD9C2571DB8EEA_6038_UN,CC2(CCCOC(C1=C(CC(OC)=O)SC=C1)=O)C(=NNC2=O)N,BUWXMYHRSNKXDE-UHFFFAOYSA-N
-43762B1CC67729EF_B88A32752A5D1D18_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](C)=O)C=C4)F,WHABRSHRFGMAKR-UHFFFAOYSA-N
-442043B5FD487D46_C0D9185A24555FE8_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(N2CCCC2(C)C)CC3)OC4=CC=CC=C4,DFIBPEOAGDPGJN-UHFFFAOYSA-N
-4528C5AC8BBE335D_6642A60752A114FD_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,RZRCNQVZKBLAIS-UHFFFAOYSA-N
-458FA529B8D1EC17_CA1E6A606CE58A68_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,PEACZDSKMLGHQJ-UHFFFAOYSA-N
-45DA1B57E6A91F07_59FE151737006065_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCCC2=CN=C(OC)N=C2)N3CCOC3=O,GESRHEILWNOWKX-UHFFFAOYSA-N
-46277FC66EDC2E69_640D309966238474_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)N[C@H]5[C@@H]6[C@H](C5)[C@H]([C@H](C6)O)O,RFWUWZMQCXIAFR-YRVKDEGTSA-N
-46BFE729C4A03FDF_16D2500922D52D2E_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Br,MJPHFUAYPWXTLQ-UHFFFAOYSA-N
-47D8F8CDFDE49F8D_48D045546828C894_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,XKRDSDZWSLDROP-UHFFFAOYSA-N
-485A96361638F560_2E5848A1325E4FC6_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O,GMZYXRZQXRMWSH-UHFFFAOYSA-N
-49F394536CAD2170_B20C531353570186_6038_DP,CC(C)[C@H](NC(C1CC(C(C)=O)CN1)=O)C(=O)N(C)C,ROAKTKAEGHFWJB-MCIGGMRASA-N
-4A62E453E701AD11_E7078D80EEFA96CB_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4)Br,IHZTVKKPJSEJIP-UHFFFAOYSA-N
-4B1B817E35E8870E_AA65E1B5D7CBB9BC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CCC)CC(=O)O,JKABIJJNTIAUFQ-LBPRGKRZSA-N
-4CB836CF88C7A5B4_6AEAEA8EC2E914A0_7022_UN,C1(=CN=C(C=C1)N2CCCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,GDUGXNGYYVEWMU-UHFFFAOYSA-N
-4D49E548155F61F9_475EA79EBDA20658_6026_UN,C[N]1C=C([N](=O)=O)C(=N1)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3,VGWMBJRDSUWQDG-UHFFFAOYSA-N
-4D778C90A8B6C68E_18C23734C5B0C807_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CC[C@@H]([C@H](NC3=CC=NC(=N3)C)C4)N,NNMQEJWUWNPETD-JKSUJKDBSA-N
-4EE08A2061BEDA27_BC1C8C303DCC5EDE_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,MPLFUAQYUKRGKG-UHFFFAOYSA-N
-502239578C91950F_B73535976D17E533_6031_UN,CC1=C(SC2=C1C(N(C=N2)C)=O)C(=O)OCC4=CC(=C(N3CCN(C)CC3)C=C4)F,DCVSJYANZFGZEW-UHFFFAOYSA-N
-513F1ABFAD48909D_077067BEF65182A4_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC(C)=CC2=C(C=CC=C2)OC(F)F,VKHPLYJINHFFKQ-UHFFFAOYSA-N
-5157F74A7B2E2FBE_285F39FF373C4656_6029_UN,FC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,WUQANPQIOJLIGE-UHFFFAOYSA-N
-519E5CEB4E786318_2BABB3B16F9C2EAA_6038_UN,CN(C)C4=NN=C(CNC(C3=CN1C2=C(OC[C@@H]1C)C(=C(C=C2C3=O)F)F)=O)[NH]4,ODDVCYVUAFPPAK-QMMMGPOBSA-N
-51BED9DC16468AF3_7A8EA76779514CDC_7017_UN,N4([S](=O)(=O)C1=C(C=CC(=C1)Cl)F)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,DUOCNFMXIBHFGX-UHFFFAOYSA-N
-51C4013A3BB1FFEF_2622677889053083_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=CC=C3)CCC4,CCYSCKBKSAOSHN-UHFFFAOYSA-N
-5222C275642965B4_8525656D5A6C23E3_6038_UN,CCC2=CN=C(COC(CCN1C(C(=C(C)C1=O)C)=O)=O)S2,KUHBCABLNNCKPJ-UHFFFAOYSA-N
-5332F750DA343307_FE82B65674C0F1DE_6026_UN,CC1=CC=C(C=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,KEMDJNVVCJXZFM-UHFFFAOYSA-N
-53926E8FB2B86511_97FD9E8E7959E77F_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(CC3=CC=N[N]3C)CC4,MQQVJJIYFSCXTE-UHFFFAOYSA-N
-53F6011000F8F6B2_F86F2461FC08D638_6038_UN,CCN(C(=O)CNC(CCCN1C(CN(C)C1=O)=O)=O)C2=CC=CC=C2,HQGWFBUVXPVUQN-UHFFFAOYSA-N
-54876DB090DB3620_E4458DD764D96C8E_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CCOCC3)C#N)(=O)=O)C5=NC4=C(C=CC=C4)S5,DIAIQWUJOWRRKB-UHFFFAOYSA-N
-54B69F1A7242C449_4310056C71B74A66_6028_UN,N#CC1=CCN(CC1)[S](C3=NN=C(C2=CC(=CC(=C2)C)C)O3)(=O)=O,MJUJYCYQXXBIAI-UHFFFAOYSA-N
-5628F24C1DF97AB8_30B2C197CB3022A0_6038_UN,CN(C)C1=C(C=CC(=N1)C)NC(=O)C2=CC=CN3C2=NCC3,MWGKGBRDJMNMJD-UHFFFAOYSA-N
-563AF1C9D163F97B_F4FAB6B13008472B_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,BHSJPMCSTJNUHT-UHFFFAOYSA-N
-5651DD5429273D3D_0AD7B3AEEF3BDDA0_6038_UN,CC(NC(C2ON=C(C1=C(C=CC(=C1)C)C)C2)=O)C3=NN=N[N]3C,SEBQBHXUHNOJFM-UHFFFAOYSA-N
-5697E0C35E16B0BC_C364B6B4EB05C00C_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C4=C3C=CSC3=NC=N4,RYCXCCNOMCRIAK-UHFFFAOYSA-N
-5736A98A15232361_FBA94B0EFEB7C87F_7017_UN,N3([S](=O)(=O)C1=C(C=CC(=C1)F)Br)CCN(C2=NC=C(C#N)C=C2)CC3,RXOBQGJYJBEAJN-UHFFFAOYSA-N
-578B3731EB37DEBF_F1EA6B2480B97F4F_6029_UN,CC1=CC=C(C=C1)C4CCC(N[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)CC4,HDWZIPKXIXGJFZ-UHFFFAOYSA-N
-589CF47075EB2ED8_5B199D30E0E0B714_6038_UN,COC(=O)C(NC(C1(C(N(C)C)=O)CC1)=O)C2=C[N](C)N=N2,PPGJHPYQOVCLQT-UHFFFAOYSA-N
-58CEE001D8B2C6F8_87B439899E182AA9_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4=NOC(C)C4)=O,DDEZHEWISGBOFX-UHFFFAOYSA-N
-59E5C518538EF1B0_E96054234AB65549_6041_UN,CC1=C(N=C(N=C1)NC3C2=CC=CC(=C2OCC3)OC)[S](=O)(=O)C,UXGDEECCPKCJOE-UHFFFAOYSA-N
-5D4F55D06C946D2E_4017C8B7B563A13E_6029_UN,N(CB(O)O)[S](C4=CC=C(C1=NN=C3[N]1N=C(C2=CC(=C(O)C=C2)O)CS3)C=C4)(=O)=O,LVRBVPGUURVLOC-UHFFFAOYSA-N
-5ECB2B809498261F_795D1297D8D1E93F_6041_UN,CC1=NN=C([N]1C)NC2C4=C(OC3(C2)CCC3)C=CC=C4,OZMFWEMDXAGZRD-UHFFFAOYSA-N
-5F1C63D585313E62_2EB3A9B5A40DFEDC_6041_UN,CC1=NC=C([N]1C)NC2=CC=C(C=C2)C3CCOCC3,IJUJWRGBYBADAR-UHFFFAOYSA-N
-5F6C236F36D4DAD7_914A1E33DE336149_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2F)OC,VUXKHCAQOFICQK-UHFFFAOYSA-N
-610DDAC2FE5CABF4_09A86E9EA59B68B5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,SNHVQMCNUKTAKJ-UHFFFAOYSA-N
-61905F47F384424E_38DCC32DCA137322_6041_UN,CC(C)(C)C[N]1C=CC(=N1)NC2(CC(N(C)C)=O)COC2,MMMUZJCCMYMCOR-UHFFFAOYSA-N
-619F4AA9A9FA38D8_60808AF1C838E5A1_6041_UN,C1(=C(C=NC(=N1)C2CC2)C#N)NC3=C(C=C(C=C3)F)S,OLICPTWRRJQAJX-UHFFFAOYSA-N
-628A2172BD95C3E4_C7E96599DA3B6251_6029_UN,FC1=NC=NC(=C1)N2CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,QBWZYWOTKYTTRA-UHFFFAOYSA-N
-654D5D8B22CFE350_7DED0A033CA0F4E9_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C4=C(O)C=C3OCCOC3=C4)(=O)=O,LAKFDBQTKJKWPM-UHFFFAOYSA-N
-659A3A2EE04CB9BA_7A6C20EB0263319E_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(C3=C(N=C[N]3OC)C)=O,NQARAVXWEFAGLZ-STQMWFEESA-N
-67B7229842AD92A0_59948F5C04243E28_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C[Si](C)(C)C)C=CC=C3)(=O)=O,VRAMTYWDQKALRM-UHFFFAOYSA-N
-68442998EC843228_D4C4DAA4E7851ABB_6029_DP,C1C4=C(CON1[S](C3=CN=C(C2(CNC2)C#N)C=C3)(=O)=O)C=CC=C4,CVTNBZHFTASZNE-UHFFFAOYSA-N
-69BD29BAD1A260D0_CE312461013C10D7_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CN=C3)CC4)Br,MUPKHICAMAXWSL-UHFFFAOYSA-N
-6A05F1EBCD1E733A_74125F237574BCDB_6038_UN,CC1(C(OB(O1)[C@H]2[C@@H](C2)NC(CC[P](C)(=O)C)=O)(C)C)C,VYSLGNSOFUCVSN-GHMZBOCLSA-N
-6A3711D07559FD6C_068DFE4711AE61FE_6038_UN,CCOC(=O)C1=C[N](CCNC(C=C([P](CC)(=O)O)C)=O)C=N1,ZKCCTMFACFBCOL-UHFFFAOYSA-N
-6B14BAD91A32F53D_7A477D4B566F251F_6041_UN,C[N]1C=NC2=C1C=NC(=N2)N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,GLTYDFDAJKIHDE-ZYHUDNBSSA-N
-6B25B3037A408750_559B2AB1828F3FBB_6038_UN,CC(C)[N]1C=NN=C1COC(C3=CC2=C(COB2O)C=C3)=O,CTVCWEXRVYCGQD-UHFFFAOYSA-N
-6BAAF7AAC3E8B6D2_3D7913BCB083C70C_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)C4CC4,HUSVZBGZHYOMCR-CYBMUJFWSA-N
-6BDF037C354497D1_481E2DF4FDF609F2_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,FQMWIYCMIYCGTI-UHFFFAOYSA-N
-6D777D67D448B68F_F63773578C85FBB1_6029_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=CC(=CN=C3)C#C)(=O)=O,NDQSTNCPLPJDQO-UHFFFAOYSA-N
-6DA6F1A4F40EF22A_A225E667D76741E1_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=CC=C3)CCC4,GBWFPSOIELTELV-UHFFFAOYSA-N
-6E1EA584F8C4349D_067F7DFBA9A20DD2_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(CN3C(C=C(C)C3=O)=O)=O,ABBCZCSXSPRMSJ-STQMWFEESA-N
-6E87683BEE8EB579_EDEC13432F018EAF_6031_UN,CC1=C(N=N[N]1C2=N[N](C=C2)C)C(=O)OCC3(C(OC)=O)CC=CC3,VRMYWQOEFWUZJD-UHFFFAOYSA-N
-6F05A1001CD535A6_FF07CAF86BFA6584_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H](C)N(C)C3=C(C=CC=N3)F,YBMDOJGTFVJKBL-NSHDSACASA-N
-6F32B5DE3C822B82_5AFFC8875AB01A81_6029_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)[S](C5=CN=C(C4(O)CCOCC4)C=C5)(=O)=O,SLZMYUPLFGEUNI-UHFFFAOYSA-N
-6F5D82C8BB824009_05F0C3E5ADC508EA_6038_UN,CCCC(SC(COCC1=C(C(OC)=O)N=CO1)=O)CCC,WVPRXFDWGXKRSC-UHFFFAOYSA-N
-6F92F92DCDAD40FC_BC3212451F0DFC83_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCC(=C)C,SMJIAOXDXOMVOY-UHFFFAOYSA-N
-6FEABC897AB10791_087291CC1BFD8EF9_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC3C(C)COC4=C3C=CC=C4,SUDSPEHXSGALAT-UHFFFAOYSA-N
-7081AF62E90B0156_4C1D8DFA56847824_6028_UN,N(C1=C(CCCC1)C#N)[S](C2=NC=C[N]2C3=C(C)C(=CC=C3)Cl)(=O)=O,NTEIONHMOGGKAB-UHFFFAOYSA-N
-70FAF218177C7468_36EB790959506F9E_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCCC3=NC=CC(=N3)COC,YDBXRVNJVZGYTJ-UHFFFAOYSA-N
-7313CB59C51C866F_8D7DE9C9BEA2A193_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N3CCC(=CC3)C4=CC5=C(C=C4)OCCO5)I,HVPRQVMAPUNRAC-UHFFFAOYSA-N
-735AB9FB50A54B67_7EBD2C5A71497FD1_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CO)SC=C2)(=O)=O,VEKCNNSPJIGJDN-UHFFFAOYSA-N
-744454E6E4301256_A0FF5F3243712B05_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=NC=CC=N3,VOEBLMSWKCDVRD-UHFFFAOYSA-N
-7470F79260E040AB_8B97ED4118DD993E_6041_UN,CC1=NC4=C(C(=N1)NC2C3=C(OC2)C=CC=C3)C=N[N]4C,TWMZHTQSTXICSG-UHFFFAOYSA-N
-767A6D524DB0DAC3_88F7D94EEA2D0AD5_6038_DP,OC(=O)[C@@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)CC(=O)O,RMLDZIHNBSQOBI-YFKPBYRVSA-N
-76A1DC2B0E90BBF5_58C57FF1CF314259_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,AHAFQGPTIJUEEA-UHFFFAOYSA-N
-76B0828311558346_04C13AEE04458C12_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=C(C)C=CC(=C4)[S](=O)(=O)N5CCCCC5,CJULKFUSGUXQEU-UHFFFAOYSA-N
-77C9C3AF046DBA20_5CDD3EDD20E23719_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CSC=C4,JEHNYYNEAGIDTA-UHFFFAOYSA-N
-77D2277FF096089A_8ACD9E4BB8D50199_6038_UN,CN(C)CCOC1=C(C=CC=N1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HRKMUUDWOUEAPU-UHFFFAOYSA-N
-78F54FF0902F81BA_A766017E8C5A3AF9_6035_UN,CC3=CN1C(=NCC(C1)OC2=NC(=C(C=C2)F)C#N)C=C3,YCSVQWMAQHJUSY-UHFFFAOYSA-N
-7A09604F4E3824BC_786B7A4BA9DA2EB7_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,XLPJNHRCIWOEGW-UHFFFAOYSA-N
-7CA74B5CA3EF69E3_E24A8FCA0C534FC6_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=CN=C2Br)C#N)C=C3,LPWRGMFLZSQEJN-UHFFFAOYSA-N
-7DF84DD7EC428E22_7EA4E6DAA5E3017D_6041_UN,FC1=C(C(=CC=N1)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F)C#N,FEFOQYPIJCBKCQ-RYUDHWBXSA-N
-7EC834F00B98F76A_5F90ED964B9B9738_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(C(OC)=O)C=C2OC)[N](=O)=O)C=C3,LZRWDZQFIWVWLD-UHFFFAOYSA-N
-7ED65FEE55C6FC14_149906EF2FEF73ED_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,LOMIRCGOWJKSOQ-UHFFFAOYSA-N
-7F401F02D402DA0E_0C10CB950BDD1671_6041_UN,CCCC1=NN=C([N]1C)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,YAGWXSLKBBFJKC-ZOHDTFCCSA-N
-810C996F1E5A2BDE_8EBBF12DEC050295_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CO)C=CC=N3)(=O)=O,IUVSTWPETXMTLE-UHFFFAOYSA-N
-81B664032445C70F_0406CF875EDA1BFC_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=CN=C(N2CCNCC2)O3)=O,MJUOGZNNXKVOEV-UHFFFAOYSA-N
-827FD3C8954AD7D5_4F79309AF69D181E_6028_UN,C2C[N]1N=CN=C1CN2[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,QBRIPEOBRYSUGV-GFCCVEGCSA-N
-82853864DC7C8257_DD59ED227424FB30_6028_UN,C2C[N]1C=NN=C1CN2[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,SQHOYRFXYDISIU-GFCCVEGCSA-N
-8341B3C82BDD468B_4D3F1E07F9C1E088_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,GKXDOXLIZZEJSL-UHFFFAOYSA-N
-83DA805849B2918C_C2457B4F8D55B31B_6031_UN,O(C(=O)CCNC(=C1C(C=CC=N1)=O)O)CC[N]2C=C(Cl)C(=N2)[N](=O)=O,LFXCMYQEXNKCJS-UHFFFAOYSA-N
-83EB7C4A0A1E2DCA_1E5172700D02F330_6038_UN,CC[C@H](C)[C@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)C(=O)N,QQPPOAIUGYDBFM-YUMQZZPRSA-N
-83F2FB4CB02B36D1_C2C2C796D2148D33_6038_UN,C[N]2C=C(NC(C1=CC=C(N(C)C(=O)C)C=C1)=O)C(=N2)C(=O)N3CCC3,ASKDGRNDCQTFQP-UHFFFAOYSA-N
-844988978335DD38_DB6A2C7C53273863_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C(C3=CC(=NC(=C3C#N)SC)C4CC4)=O,SCTZCDIWUKKRDL-UHFFFAOYSA-N
-854CFE950277AE86_B1AA6C2D8B2FEA09_7019_UN,CC1=C(C=N[N]1C)C2=C5C(=CC(=C2)C=CC4=NC3=C(C=CC=C3)S4)OCO5,PXJIIINPHNROPT-UHFFFAOYSA-N
-8666EA8590CC6D9E_D4C9DCDB380C943D_6038_UN,CCCOC1=C(C=CC(=C1)C)CNC(CN2C(CN(C)C2=O)=O)=O,ZBHAYBMKVCTBCD-UHFFFAOYSA-N
-86994E8E7737A5CB_8C5E60B4EF675394_6029_UN,ClC1=NC=CC(=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,KYNIHAFWZUWMNB-UHFFFAOYSA-N
-881684B48373304A_DE395C5053D0BF87_6029_UN,N(CC(F)(F)C1=CN=CC=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,YOYADZAMDJZYFQ-UHFFFAOYSA-N
-8A45BE918FF4E041_5D71E1C9A005C559_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3F)C(N(C)C)=O)(=O)=O,DGBCQPMJZSZJAY-UHFFFAOYSA-N
-8AE51EBDDF036934_31AFE7BD16FFC417_6038_UN,CN(C)CCOC1=NC=CC(=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LCIGUAZYGMKPCY-UHFFFAOYSA-N
-8B7F6D9FD27E4595_5818EA56C445E1D3_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CCC2)CC3=CN=N[NH]3,CBOHYSPUORUIER-UHFFFAOYSA-N
-8C94ECBA2A7645AB_C2F542AEDBB77D38_6029_UN,ClC1=C(N=CC=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,ASPLQIUGQDQALD-UHFFFAOYSA-N
-8D515C8A99EC71BD_37727C19C0564682_6035_UN,CN4C[C@@H]3C[C@@H](OC2=C(C=C(CNC1=C[N](CC)N=C1)C=C2Br)OC)CN3C4=O,GXDJMCQMOKUZJM-JKSUJKDBSA-N
-8D622A230FBCE72C_C046A295F67E9938_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OC(F)F,BRKYYJHSYIFNTJ-UHFFFAOYSA-N
-8F18487208C39ACE_2C424712540581BC_6038_UN,CCC(=C(N=O)C(=O)OC)OC(C1=NN=C(N(C)C)C=C1)=O,HWWAIVYAXXUKBD-UHFFFAOYSA-N
-8FF7CA13E0618F8B_266DF1FB113B6C1C_6029_UN,CC1N(CCC(C1)N2CCC2)[S](C4=CC=C(OC3=C(C=C(CO)C=C3)F)C=C4)(=O)=O,YCTHWVXASGANJA-UHFFFAOYSA-N
-919505755EDE598C_FB437E3AF75FF6A1_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3(CC3)C4=CN=CC=C4,PDNJLLKMVGDDJF-UHFFFAOYSA-N
-9207F3FA11F77DE8_6EA1B5DC864B1B08_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,VOYVXAWHXHIAKE-UHFFFAOYSA-N
-9478D19E107211B3_0BF5202700A9E8B3_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OCOC)C=CC(=C2)OC,GMVHFLRZUMKFLL-UHFFFAOYSA-N
-94E2AEFCBF5F5708_83EF3FB1F3BD3F68_6039_UN,O(CC1=CC=C(C=C1)C2(F)COC2)CC3=CC=CC(=C3)[S](Cl)(=O)=O,LJCVGGROGVAOJQ-UHFFFAOYSA-N
-9535A0C91B95BEB3_5B7CCA972B605ABA_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=CN=C(C=C3)I)(=O)=O,RMTBLLSRLLGMTE-UHFFFAOYSA-N
-95AC8E40E1B7E4C6_E0927C430348F563_6035_UN,C[N]1N=CC(=C1)CC(CN)COC2=CN=C(N(CC(OC)=O)C)N=C2,AEEUSYQZNHMQOO-UHFFFAOYSA-N
-965A8CAB7EB3B508_AD9C61E167472DFF_6041_UN,FC1=C(C=CC(=N1)NC3=C(C=C(N2CCN(CC)CC2)C=C3)OC)[S](=O)(=O)F,QMRCTOMCFGPAOB-UHFFFAOYSA-N
-9708567CBC60BE2F_2798376AB3CD3F2E_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCC(OC3=C(F)C=CC=N3)C4,PFWYZXSQYDFGQF-UHFFFAOYSA-N
-971A0383B412555A_7606D7604CE5ED00_6041_UN,C[N]1C(=NN=C1C2=CC=CC=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,REHKTSDORHAEGZ-UHFFFAOYSA-N
-977E63BC8CE83B48_555D7F6FE6E0B684_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,NNXUXTUQLYSGAP-ZYHUDNBSSA-N
-98CD9D6989C031A7_83BA7E4778524DEA_6038_UN,CC[C@H](C)[C@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)CN(C)C,IVZQLBYFDKFMRY-WDEREUQCSA-N
-998A2A824536FB94_A10A9174B16AC54D_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CC)CC(=O)O,YJCTVDSHCURGFE-SNVBAGLBSA-N
-99A4320136C85802_830238F16B21DD33_6035_UN,COC(=O)C1=C[N](N=N1)[C@@H]2COC[C@H]2OC3=C(C=C(C(C)C)C=C3)B(O)O,WMYCZARGVFFYQR-GDBMZVCRSA-N
-9B324C6096649F91_964D423B5462FDDE_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=CC=CC(=C4C)C,JAWOKOLJLVGIBT-UHFFFAOYSA-N
-9C9A416219BE276A_7A3D30EDF0012408_7017_UN,N3([S](=O)(=O)C1=C(C=CC(=C1)I)Cl)CCN(C2=NC=C(C#N)C=C2)CC3,HVBPXQAKGUWUOC-UHFFFAOYSA-N
-9E17FAC58B4B17CC_4E3B60D18E042294_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CN=C([N]3C)Cl,SZOQFYPJZFHXCE-UHFFFAOYSA-N
-9E9B84942AD16D34_0FD1AEDAADDA376C_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,AERJGCPCSHYCRD-UHFFFAOYSA-N
-A06D023DC9502248_70AD87A4DA98CE04_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4)Br,NZSNDRFHEDUBNU-UHFFFAOYSA-N
-A1033A78C06C5B9E_D5AD0218A89A1A2C_6031_UN,CC[N]1C=C(C(=O)OCC(N(C)C)(C)C)C(=N1)C2CC2,KDQZQCPDBGZKCN-UHFFFAOYSA-N
-A1A83523C2579002_BA1A834F0421826D_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,VQVRCVJSSNZUCK-UHFFFAOYSA-N
-A209B7F2AD33A03F_6557239AC89B4502_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(N=C(C=C2)F)C#N)C=C3,BPXYYWRYDHZKMF-UHFFFAOYSA-N
-A24567915CCDF895_ADB368003E31F5F2_6038_UN,CC1=C(C(=CC=N1)OC([C@H]3C[C@H]([N]2C=C(C(OC)=O)N=N2)C3)=O)[N](=O)=O,IKMVFYOHPMTHHT-MGCOHNPYSA-N
-A393C010BEAAAE38_797134104FC2C494_6034_UN,CN1C=C(C#N)C(=O)N(C1=O)CC2CNC(=NO2)C3=CC=CC=C3,YDQFMFSSKBGXGT-UHFFFAOYSA-N
-A46398525ED8E273_F5E0504A4E181678_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,VSWMWLWEUSYZIT-UHFFFAOYSA-N
-A46F91968EB47B97_EF9E0A2DB503D125_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)Cl,DSTIDFMNXMUFAA-UHFFFAOYSA-N
-A640440F30F91E56_D82192FB3E6A01E3_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C3=NC=C(C=C3)N(C)C,OLVRUAMOTKLTIO-UHFFFAOYSA-N
-A64D2609A7D612D9_BC85B7C7E95AF795_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=NC(=CC(=N2)C)Cl)C=C3)(=O)=O)C4=CC=CS4,YLKKAQFFQBGINJ-UHFFFAOYSA-N
-A6AE18933A06C5C1_35A40742E7012F0D_6038_DP,C[C@H](NC(C1C[Si](CN1)(C)C)=O)CN(C)CCCN(C)C,AVFOMAGMQUKRBI-LSLKUGRBSA-N
-A7663A840DBC1E62_688EC39319A0B4EF_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=CC=C[N]4C,IYHVIJVGPPLESB-UHFFFAOYSA-N
-A79E58B1136D4798_43FE84C6B68B9FE7_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NCCC(N3CCN(C(C)=O)CC3)=O,FDPHFUMZHFQAEN-UHFFFAOYSA-N
-AB135F757011BFB8_BE94802DAAC1048B_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(OC)C(=C(C=C2)Br)F,UHZGSAQSQBGCMJ-UHFFFAOYSA-N
-AB73CDFD8319EF17_E2A724D3BD855476_6028_UN,N(C1=C(CCCC1)C#N)[S](C2=NC=C[N]2CC3=CC(=CC(=C3)F)F)(=O)=O,ZZMZDQLYJMQMSE-UHFFFAOYSA-N
-ABF939827ADB12D5_25477CC35D75BC81_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC(=N[NH]2)C3CCNC3)=O,IDDGQSZXBJNTPG-UHFFFAOYSA-N
-AC1CB4F419A5F409_049FCE2B679C29D2_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N3CC(C)N(CC3)C4=CC(=CC=C4)C,LXGDUMAEUBBPCI-UHFFFAOYSA-N
-ADE1A3CA15E82E52_0545AAD65C7BF53E_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=CC(=C4C)C[S](=O)(=O)C,IEBPWPBWRZDRLA-UHFFFAOYSA-N
-AECAC1CA09651140_D1A2F8BFB014AFA5_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,JFTIGUUXGCNAAM-UHFFFAOYSA-N
-AFEB440FC5BB3B04_DCB201F350FEA58D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](N(C)C)(=O)=O)CC4,GCOIQJSRKIVKCX-UHFFFAOYSA-N
-B008DA0316B6AD19_0DD7D7A3C4655A80_2267_UN,COC(=O)CC(=O)CCC#CC1=C(C(OCC)=O)[NH]N=C1,CNYVEBAROJBKIJ-UHFFFAOYSA-N
-B12F032613469AB4_40F0C1DFB8833441_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCOC)CC3)=O,BEBZTJQRPQSNQB-UHFFFAOYSA-N
-B277174A677B50A3_E519E083287B7A72_6026_UN,COC1=CC(=C(C(=C1)OC)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl)OC,KQPFSFKZEWDASW-UHFFFAOYSA-N
-B499EAB4206DA0B7_F1944F48F03670DC_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CN=C([N]3C)Br,IZNIMKIZAQRNLV-UHFFFAOYSA-N
-B4B389F4A4DDA0CD_5383F4F2BB33D04D_6038_UN,CC(C)(C)C2=CN=C(COC(CN1C(CN(C)C1=O)=O)=O)S2,LQMUBAXMZGHOJQ-UHFFFAOYSA-N
-B5890C78A2A757FF_C0C45B736100CCB8_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,NHAXPKQLAVEBOQ-UHFFFAOYSA-N
-B99AA7A5D63836AA_E79DFCF45EF590FA_6038_DP,N(CCN1C(C(SC1=O)=CC2=CC=CS2)=O)C(CC3(OC)CNC3)=O,CFNPXJUMYMKQDD-UHFFFAOYSA-N
-BAA058978A3571C1_BDF97F5EB9EE903B_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C(C(O)=O)N=C3)C(F)F)(=O)=O,UBZQXBLURLMPJJ-UHFFFAOYSA-N
-BABE1C062DE723C9_9A4CBD6C3D623AAB_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC#C)C(=O)O,IDGIOPJCQKWMCV-NSHDSACASA-N
-BB93304073CFAFD4_530235304279F17E_6041_UN,FC1=C(C(=CC=C1)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,AHZNSHMEQTVMDJ-UHFFFAOYSA-N
-BBC578055330B54B_E4484390CC32EF4F_6041_UN,CCOC(=O)C1=C(C(=N[NH]1)C)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,UKSGKMHKUGNEPI-UHFFFAOYSA-N
-BE60C488508AC495_7730AF5654068D76_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,BHAMYJNSNDXODL-UHFFFAOYSA-N
-BE8B0452BC470478_4743F4C01FFAD9FD_6038_UN,CCOC(=O)[C@@H](NC(C[N]1C=C([S](C)(=O)=O)C=N1)=O)COC,SPZKZLPAFKOQPY-JTQLQIEISA-N
-BEEAEFCA2AC10360_0AC35153FA30EFA0_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C(=C(C=C2)Br)F,IRRXEJVWOPCYAF-UHFFFAOYSA-N
-C0DD8A58FC1ABF18_0EC981433AB2EB72_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,GHUOQGRFBZCMQK-UHFFFAOYSA-N
-C2146D45972E9953_E75FFF3F191FAF7D_6038_UN,COC1=C(C=CC=C1)CNC(CN2C(CN(C)C2=O)=O)=O,PGDLIPCLYQKHFA-UHFFFAOYSA-N
-C24216C73C9857FB_EB30F5AF084D1AF0_6041_UN,C[N]1C=NC(=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,OIWAUCJJQIJYPD-CYBMUJFWSA-N
-C382237BA9F315ED_3FB399861690C9CC_6029_UN,C1CN(CCN1[S](C2=C(CC(C)O)C=CC=C2F)(=O)=O)C3=NN=CC=C3,WNXIHZJHZWQCNB-UHFFFAOYSA-N
-C62CFF8E24ED502E_BC847FF3CF1F076F_6029_UN,N(C1=C(CCCC1)C#N)[S](C2=CC(=C(C=C2)[N]3C=CC=N3)Cl)(=O)=O,OWJPMEFTQLMDBN-UHFFFAOYSA-N
-C77D32780001D072_26C16153D1470685_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC[N]3C=C(Cl)C(=N3)[N](=O)=O,KCIWBTLRGPACHZ-UHFFFAOYSA-N
-C85E699D2A26196D_DF4F4D0806E34531_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2=CC3=C(C=C2)OCCC3)C4CC4,YDMUDGPPFYBOKC-UHFFFAOYSA-N
-CA9EAE6D3CFDE13A_83D235B2BF307751_6041_UN,CC1=NC(=NC(=C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4)[S](=O)(=O)C,JILCEVDWVOKWBP-UHFFFAOYSA-N
-CAB581A929BDC374_9CBF3A20151FF6B7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](COC)C(=O)O,STPRZRAZTIMFMF-JTQLQIEISA-N
-CD61EFECAF728548_A4A03BD986A20F66_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=NC=C3)C)(=O)=O,PZSYMHJEFMACLO-UHFFFAOYSA-N
-CD6DE699D071585A_9375183CECD453BE_6038_UN,COC(=O)[C@@H](NC(C=C[P](CC)(=O)O)=O)CC1=C[N](C)C=N1,AEPHBLSNHINSSW-NSHDSACASA-N
-CF0B9F3DAFC8F068_6486E0F70AB9FB87_6031_UN,CN(C)C1=NC(=CC(=C1)C(=O)OCC2(CC)C(=O)NC(=O)NC2=O)Cl,IJFCQBMOACPTHV-UHFFFAOYSA-N
-CF1CC709B977D22A_7F4455DF2654D7C0_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)C#N)C4,DGAAWDODJFMNEY-UHFFFAOYSA-N
-CF1D32B0DFBBE01C_366AE8ECAF94FC96_6038_UN,COCC(NC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)COC,XPYNCFOBYHKTSF-BDAKNGLRSA-N
-CF38B628CA5E57EF_E224AE34A350CE47_6041_UN,OC(=O)C1=C(C=C(S1)NC2=CC(=C(C)C=C2)N3CCOC3=O)F,DICNVFRBRUYWEJ-UHFFFAOYSA-N
-D0B60D0AE62C179E_94FF1B1E5FE17411_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,NRWASZKUJXPMPU-UHFFFAOYSA-N
-D27A0CE9A97D3573_96AE9CAD166080FC_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2C(C(C)C)NCC2)=O,MQESQDQTSTUYTM-UHFFFAOYSA-N
-D40136C42915C502_FCD8D37122D744B5_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=CSC(=N3)COC,NDYITRNXCSFGNL-UHFFFAOYSA-N
-D4271C6FF318CA8A_127C59832B9B8F12_7017_UN,N3([S](=O)(=O)C1=C(C=CC(=C1)Cl)F)CCN(C2=NC=C(C#N)C=C2)CC3,BBZSYHSTDVWJLN-UHFFFAOYSA-N
-D5854B3BA132A96E_6E3CC7D09454BA9B_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(N(C)[S](=O)(=O)C)C=CC=C4,QDDDOPWPMPSNBF-UHFFFAOYSA-N
-D5DD1CD5DE2B8EA7_0213F8B946C2AFE1_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(F)C=CC=C3)CCC4,RXAXAAAPUFXYPE-UHFFFAOYSA-N
-D64EB055D8FB497B_4961F32BEB2DF517_2267_UN,OC(=O)C1=CC(=CN=C1)C#CC(B2OC(CN(C)CC(O2)=O)=O)=C,INJLIGMURFGYAO-UHFFFAOYSA-N
-D66E93FB7F4F94F4_9ED09F3540794BC8_6041_UN,C[N]1C=NC(=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,OIWAUCJJQIJYPD-ZDUSSCGKSA-N
-D93F54D0B804B95F_2F01C535AE8BFDA5_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@@H](C)O)C(=O)O,MCAWFGHWSHUKIU-HQJQHLMTSA-N
-D93F54D0B804B95F_D81633DCAA17C8DE_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H]([C@@H](C)O)C(=O)O,MCAWFGHWSHUKIU-HQJQHLMTSA-N
-D987A4D79E461F14_588A3CDDAEE4355F_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=C(OC)C(=CN=C2)Cl)(=O)=O,ALXXBURILUOGHK-UHFFFAOYSA-N
-DD629E6933AEB9F3_D0D1FDCC20B1C63E_6041_UN,OC(=O)C1=C(C(=CC(=C1)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F)F,DJWHYKYTDDQCOV-UHFFFAOYSA-N
-DDE1774509730542_AFE7B0043C7FD96C_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,MBRSPVRKXTXQNF-UHFFFAOYSA-N
-DFCADF6CECBFC07A_08FD9ABF3F3D4DF6_6038_UN,CC(C)[C@H](NC(C1=C(CC(OC)=O)SC=C1)=O)C(=O)N,QGAKOSLVDWPHSV-NSHDSACASA-N
-E02752ACC40A941B_D9895ECEF6FA10AE_6041_UN,CC1=C(N=C(N=C1)NC3C2=CC=CC(=C2OCC3)CC)[S](=O)(=O)C,QAGLNQDUFHFTKO-UHFFFAOYSA-N
-E2A408446B88A024_5C3E17E5CBFBC12B_6041_UN,C[N]1C=NC2=C1N=C(N=C2)N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,PHLBYGUBOSFTPS-ZYHUDNBSSA-N
-E3EC1A02019482B9_BF37DC58B4D86B3B_6029_UN,C1C=C(CN1[S](C3=C2OCCC2=CC(=C3)F)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,DKDCDUGYZDTRMK-UHFFFAOYSA-N
-E42FCADA2E474498_A1CF051FF971A626_6029_UN,CN1CC2=C(CC1)[N](C3=C2C=C(C=C3)C(=O)O)[S](C4=CN=C(O)C=N4)(=O)=O,XYNNWZUQIWNJTQ-UHFFFAOYSA-N
-E477D72D9E60BD16_191DB78EE452AAF6_6041_UN,CN(C)C1=NC2=C(C(=N1)NC(C)=C(C#N)C(=O)O)C=CC=C2,CTLDUZJZWXNHNX-UHFFFAOYSA-N
-E54F6C28B5C99BFE_E86211868320CD90_6029_UN,O=[N](=O)C=C1N(CCCS1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,BCBCQFLOTOCWDY-UHFFFAOYSA-N
-E5F8866EC876E46D_52FE71F868D1FA67_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2CCOC3=C2C=CC=C3)C4CC4,OMLLOKVFCCLVGV-UHFFFAOYSA-N
-E654C41F221D929C_7DBAAF316D3705B7_6029_UN,C1CN(CCN1[S](C3=C(N2CC(CO)C2)C=CC(=C3)C(F)(F)F)(=O)=O)C4=NN=CC=C4,RQMHMPWBSJAYLQ-UHFFFAOYSA-N
-E69F163BED487116_075AAAB567C9DF82_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(C(=C2)OC)C)OC,XYBIAENLLPXCNV-UHFFFAOYSA-N
-E74AA659E21BECDC_8122A17953C74991_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC([C@@H](C)C3=CC4=C(C=C3)OCO4)=O,JVCSZFSLUBJWNW-JTQLQIEISA-N
-E885B980479777C0_DF5FD29C00BB45FF_6034_UN,C1COC(C1)C3=NC2=C(C=CC=C2)N3CC4=NC=C[N]4C,GMUAJJBVDMFEBQ-UHFFFAOYSA-N
-EA8E22F838EFB06C_B4BC4A7C9BFEBF63_6039_UN,O(CCN1C(=O)CCC1=O)CC(NCC(NC2=C(OC)C=CC(=C2)C)=O)=O,CVYVPMOOLHAQHE-UHFFFAOYSA-N
-EBEDC22ED49EC7AC_5E4B8F04A2E58CFA_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CCO)SC=C2)(=O)=O,UDKLLRRHXOSHEE-UHFFFAOYSA-N
-EC2C3840A377A5B0_CFA295B714BE005C_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(CN2C(C=C(C)C2=O)=O)=O,YVFXYFRSAPPMRP-UHFFFAOYSA-N
-EC3FC16CC1EE9B38_3AC40E34A2463F52_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4)Cl,LEBGOASKJGBFEU-UHFFFAOYSA-N
-EC54261E9300F99C_B0377D29D566E189_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)I,MIOBYIYNWDYCQE-UHFFFAOYSA-N
-ED30272D430994A0_B2F219F3A50214BE_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OCCC2)C(=CC=C3)F)[S](=O)O,SNKAZJJRLXYRRN-UHFFFAOYSA-N
-EEAFA9D0733B101F_BBAC43941A44FCDE_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCC4)C)C5CC5,GMPUDMRIAJTELX-UHFFFAOYSA-N
-EF2FA00B7FB94E40_771FD98089FBEC22_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCCN3C(CN(C)C3=O)=O)=O,SFHSPMDAWDVCPE-UHFFFAOYSA-N
-EFCBDB947231BF2B_3250EA7D6448C8B3_6041_UN,C2(=C[N]1CC(OC(C1=C2)=O)=O)N[C@@H](CC3=C[N](C)C=N3)C(=O)O,WRVWLAVDCMMOES-JTQLQIEISA-N
-F0C41139BFF4C1DF_5AC8C40FFED032FF_6038_UN,CC1=NC(=C(C=C1)OC([C@H]3C[C@H]([N]2C=C(C(OC)=O)N=N2)C3)=O)[N](=O)=O,GREZZJYEQOFOHK-MGCOHNPYSA-N
-F2E0D660D00762FF_49E019FD2385558B_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)C(F)(F)Br)(=O)=O,WHTNKMXLLVBHAP-UHFFFAOYSA-N
-F402F6FC52527127_2262C797DD5DFDD4_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=CC(=NC=N2)OCC(F)(F)F)(=O)=O,XMJYASDHJPSPIK-UHFFFAOYSA-N
-F51D96718BD97986_E0FCED7E680069A4_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3=C2C=CC=CC2=NC(=C3)C4CC4,LFKYJIAJCXUVMJ-UHFFFAOYSA-N
-F59A4931339C278C_F8D9FC332867FC83_6026_UN,ClC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4,RLLOAQXXXZIUHB-UHFFFAOYSA-N
-F6A6EA213DBC798D_1DE1C4CC9DD3BD90_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)F)[S](C)(=O)=O,MNYWPPDCVFHVJK-UHFFFAOYSA-N
-F9745C374EE669EF_44E79D20186EA567_6038_UN,COC1=C(C=CC(=N1)N(C)C)NC(=O)C2=N[NH]C(=C2)C3=CC4=C(C=C3)OCO4,ICONIKVHADDWKC-UHFFFAOYSA-N
-FA87D6896052228B_0A008D5DFCBD92B9_6041_UN,C2(=C[N]1N=CN=C1C(=C2)C#N)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,LYORDZVLTKOAGY-ZFWWWQNUSA-N
-FAA466B873C89851_8AE395B77B962839_6038_UN,N(C1=CC(=C(N=C1)N)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,KKWTVBJINVZNPU-VHSXEESVSA-N
-FB089FF1817EDF22_E9DAF2C3EB17CAB7_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=CC=C3)CC4,XQTBPFVHIIJAKA-UHFFFAOYSA-N
-FB114791345B6C63_DDE0E0818CF0DBC2_6041_UN,CC1=C(N=C(N=C1)NC3C2=CC=CC(=C2OCCC3)OC)[S](=O)(=O)C,QSGUSHIBVXGZFS-UHFFFAOYSA-N
-FB9C167650ECA137_F2E4B06ED1201C9C_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=CC(=C(C)C=C4)C,QQKKYHVLVSLROV-UHFFFAOYSA-N
-FC8614965FED5E65_CB12929FCF5968CC_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=C(C=C2OC)C,LFELQCLOCWCTJW-UHFFFAOYSA-N
-FD5B5C7853BAB1F9_B6C519EF48B4DA36_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4([S](C)(=O)=O)CC4,XDRVPEXBHCPVKH-UHFFFAOYSA-N
-FDD96AC4DD9D921B_CFDBFB6F5923C454_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=CC=N3)CC4,OTTKDKYRDNKEPR-UHFFFAOYSA-N
-FEDB3709CA50A35C_C80DB1767C7F9236_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CN=CC(=C3)C)(=O)=O,MGHFYXQRKGKKKY-UHFFFAOYSA-N
-FF8DAD9157D652A8_1EB9DEA8BE34D7CF_7017_UN,N3([S](=O)(=O)C1=C(C=CC(=C1)F)F)CCN(C2=NC=C(C#N)C=C2)CC3,KFXSQPWNKRMAQE-UHFFFAOYSA-N
-rxn:1:24127:44566,COC1(c2cn(CCC#Cc3[nH]c(C)nc3[N+](=O)[O-])nn2)CCN(CC(F)(F)F)CC1,SSWPFOJIRYPJDJ-UHFFFAOYSA-N
-00321A2246BA55F3_7F3F5A090FEB60C9_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,ILJURFHPZYEKBL-UHFFFAOYSA-N
-00CA19E75024A535_19D8C0B1184278E1_6028_UN,C(N4CCC1=C(C3=C(N1[S](C2=CN=C(C)C=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,CMUSCVBVSPZUTB-UHFFFAOYSA-N
-020ED0E4A48BCA63_4D2CD41D86495F76_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(OC)C=C3)N4CCOC4=O,HMFSTCNJESZLBS-UHFFFAOYSA-N
-03119714811E6ACC_912EC2B0ACEED334_7017_UN,N5([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)CCN(C3=NC(=CS3)C4=CC=C(N)C=C4)CC5,HBFSDXIKJNPCQL-UHFFFAOYSA-N
-031515519FF24528_B03A7399AB4B5C6C_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,HXSQALAESPJJEK-UHFFFAOYSA-N
-036140399A423702_207F3C94C61E9435_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,DBMHKQZOXPEVSC-UHFFFAOYSA-N
-03726AEDF18549F2_6A3F6AC711ED7795_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,KBEJRTWZRURVRU-OAHLLOKOSA-N
-03CFB77C54AA4647_95648C2B1784C697_6041_UN,CC2=N[N]1C(=NC=NC1=C2)N[C@H]3[C@@H]5C[C@H]([C@@H]3C4=CC=CC=C4)[C@H]([C@H]5O)O,CGRKCTRIRAXZSU-JUFFKVHCSA-N
-0405DE1C13C85FD0_7069F6EB5D37AA73_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(CC3=CC4=C(C=C3)OCC4)CC5,FDKIAPKTDKGQHF-UHFFFAOYSA-N
-0588D7A00E90F885_8AE3ECDA6263C9DE_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,XHMLSZLTJUWWQB-UHFFFAOYSA-N
-06366C9A92E11E97_31C05ACDAA4B7BE2_6029_UN,CC1CC(CN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=CSC=C3,ZXNHAJWHVMTOQX-UHFFFAOYSA-N
-0786F2C7D48137F8_65A0F7D1D632178D_6029_UN,C1CC(CCN1[S](C2=CSC(=C2)C(F)F)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,BIEWBGONXBJZAB-UHFFFAOYSA-N
-0834C32CF46D00F9_33CAD9C1BAA97A0E_7022_UN,C1(=CC2=C(C=C1)OC3=C2C=CC=C3)NC(C)C4=NN=C(C)S4,GSYFLVGDITZMCU-UHFFFAOYSA-N
-0897C30B02446CD5_B953C1FCAB1C15E1_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC(C)C2CCCC2C3=CC=CC=C3,GVVMHOPQFRGIOO-UHFFFAOYSA-N
-0986E3512977A72F_EFEAFFD0D708230D_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=CC4=C(C=C3)C(=N[NH]4)I)(=O)=O,SUTOTRGEFLDXPC-UHFFFAOYSA-N
-0ACEA2912722F9E8_33525283FD9F214E_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,IBQGKVXPPCJOGN-UHFFFAOYSA-N
-0B16676CB4C17659_9944E404368BEA2B_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,XYEKJVHIOJHWBZ-UHFFFAOYSA-N
-0B7CC84D36052A10_604438499CFD6455_6029_UN,FC1(CN(CC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=CC=CC=C4,MNFNMNVPNMGWQJ-UHFFFAOYSA-N
-0C0D02B7C8FB36E3_1E5C2DF758551157_6031_DP,CC[P](=O)(O)C(=CC(=O)OCCC1CNC(C1)(C)C)C,PTFUGCUANBFRRZ-UHFFFAOYSA-N
-0CA5B51668A82163_820542ADD1B85241_6036_UN,CC(C1=C(C(=CC=C1)Cl)C)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,PTNQPNOQWHLDBS-UHFFFAOYSA-N
-0D608FEBA46B6D8E_65AE1C2097C986D8_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,HZFFUKCJMCFYIB-IJXZTRCJSA-N
-0D7E7409084B2E2E_AFB0474A624331EC_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O,UEDPMMZIDDWGQW-UHFFFAOYSA-N
-0E06AF8AF7B80C85_738F7A230239F491_6034_UN,CC1=CC2=C(C=C1)N(C(=O)[N]3N=C(N=C23)C4CC4)CC6=C(C=C5OCOC5=C6)Br,NADHLTFTRINDKR-UHFFFAOYSA-N
-0E2446C89FE03B2D_FE9F851306621121_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,RPPNQXDKFQVBHO-UHFFFAOYSA-N
-128CD2EB285FC512_11537E6B060647AD_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)OC3=NC=CC=C3,BCFZDVRLZQLRQO-UHFFFAOYSA-N
-12FEBF025A73C3F1_61A023B9440AF010_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C=CC=C3)C4(CC4)C#N)(=O)=O,IEQZTYPLSKOYFQ-UHFFFAOYSA-N
-137DFF51446F7E15_1B86054A25127D44_6029_DP,OC1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,WCAXUVMOFGGATJ-UHFFFAOYSA-N
-13D54B49372B20EA_BB0DC868F7F1F4B8_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C4=CN=C(S4)N5CCCCC5)(=O)=O,MOSHIPYSOGUXFD-UHFFFAOYSA-N
-155B1A7EA9B8FFDE_6E13AB444E504F71_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)C)CC3)Cl)O4,RGUWADOVIQORHQ-UHFFFAOYSA-N
-163BDAE5CF711B25_F7C816654B9A7D39_6029_UN,FC1(CN(CCC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=CC=CC=C4,QNOLMTQOPQGOIG-UHFFFAOYSA-N
-16E4DA3A2F0E35A1_C2DF7CA840C7DC9F_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OC)C(=CC(=C3)C)C,SIJBRJOTVGDVNV-UHFFFAOYSA-N
-17009BEDF64C5F73_3B1DFC1B6C4653D4_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(CC4)OC5=NC=CC=C5,YVTUMNSEQGKUBX-UHFFFAOYSA-N
-1815D9FE8D64A331_B315F054B5514FCB_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,TTWZZEBNMQHOHE-UHFFFAOYSA-N
-18D06A08E3B8078A_D46831AA51448F6A_6038_UN,N(C1=C[NH]N=C1C2=NC=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,MOTWLMYDXFMWQF-UHFFFAOYSA-N
-1900A9E68FA64859_5396A89CA1930E6D_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)C)Br,VZDIXQSBAMLLKL-UHFFFAOYSA-N
-19635E0EED605A67_6EDBE5336E59F8C5_6029_DP,N1CC(C1)C(N[S](C2=CC=C(C=C2)C3CC3)(=O)=O)C4=CC=C(C=C4)F,ZWFAHIMVYYIAKV-UHFFFAOYSA-N
-1A3128EE088FFDF9_938D21E9C8F44CFB_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,PIKOUSWGRLKQKU-SFHVURJKSA-N
-1B187F35CB924AC8_50B133CEF844C0F4_6035_UN,NCC1=CC=C(C=C1)N3CCC(COC2=C(C=CC=N2)[S](=O)(=O)Cl)CC3,LRPHNEXPTXAFHK-UHFFFAOYSA-N
-1B4F4CEAF1DA8981_B4AF0FA91FB27ADB_6026_UN,CC2=N[N](C1=CC=CC=C1)C3=C2C=C(C=N3)[S](=O)(=O)N5CC=C(C4=CN=C(C)C=C4)CC5,ZMGGZKZZRSBFIH-UHFFFAOYSA-N
-1B789E8999104110_D4CE1F08C8913EA5_6038_UN,N(C1=CC=C(C=C1)C2=C[NH]N=C2)C(C(NO)CC3=CC=CC=C3)=O,ZAHIBLHLYSLKFG-UHFFFAOYSA-N
-1ECF02D13A953A33_4B7C8F7B1360FAE1_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3)C,QZAQNWYWHRLSMO-UHFFFAOYSA-N
-1F63B84F07A9C234_A749EBB8DE3CFEE2_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CCN(C3=CNC(=O)NC3=O)CC4,CYFXLYXBJVDRCA-UHFFFAOYSA-N
-1FB6C2B4E25B6F92_695C43D496B29AC9_6038_UN,CCC(NC(=O)C1=CN=C(N=C1)N2CCOCC2)C(=O)C3=CC=CC=C3,LPQLBKIZYQZNFS-UHFFFAOYSA-N
-221C27EC9CABE211_FB5608D8C3AB4BEC_6036_UN,CCC(CCBr)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,RESRSQLKSCIBNC-UHFFFAOYSA-N
-2223275885D58457_5AB82F1D4ACA035D_6029_UN,OC1(CN(C1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,JTPBRNFIRKQVGJ-UHFFFAOYSA-N
-22C2AC21BD541C64_6A24C3FF1EAD6D92_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(SC)C=C3)(=O)=O,JMIQAKXCKSOOSS-UHFFFAOYSA-N
-234B22510FCF99F2_6DE7028BDBF0DAF6_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,ZCADQLQLGVTBMH-UHFFFAOYSA-N
-2419ED896A729847_2C171412AD52CBC8_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC(=CC=C3)N4CCCC4)(=O)=O)C5=CN=CC=C5,NOZHCMFSZFVTKR-UHFFFAOYSA-N
-2493FB986C1F89C9_1BC3BA9134348083_6029_DP,N1CC(C1)C(N[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O)C4=CC=C(C=C4)F,JTKAMJDOZOFAKF-UHFFFAOYSA-N
-24CC1BDE435497D5_D4CA0886E26D9FB1_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=NC(=CC=C3)C4CC4)(=O)=O)C5=CC=CC=C5,VUVJOMCBXYUWDN-QHCPKHFHSA-N
-24E3043C1D3C466B_75F0FFB982042424_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,AKIGJYZTTKWKQR-UHFFFAOYSA-N
-256AA787BB7ED30E_25723C5EF277E07F_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,PNFCOVYAYJVQFU-UHFFFAOYSA-N
-26073CBE09C40EBC_91F62BD7E2647D7D_6009_UN,CC(C)(C)C1CCC(=CC1)C(C)C(C)C2=CC=CC=C2,FGWBFSRMZPBXHZ-UHFFFAOYSA-N
-26CDACBBA360795C_A9082CAFCCB4ACB8_6038_UN,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(C(NO)CC4=CC=CC=C4)=O,DXAKQFVHMRPTGI-UHFFFAOYSA-N
-26E2947996713C89_1ECEA35F09427FCE_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,ZYHUYRBNCBPQSQ-JKSUJKDBSA-N
-27400791A1AB529A_34A1770497548147_6029_UN,FC1(CN(C1)[S](C3=C(C2(O)CCCCC2)C=CC=C3)(=O)=O)C4=CN=CC=C4,ARUAJMGTMSFWDF-UHFFFAOYSA-N
-27466E76AE4B675B_1310080FC2739A07_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=CN=C(C=C3)C4(CC4)C#N)(=O)=O)C5=CC=CC=C5,RZLMMJXBDKRLRY-QHCPKHFHSA-N
-27CF2F9F1FC90B53_162560A1D12C01C2_6031_UN,O(C(=O)C[N]1N=NN=C1C2=CC=CC=C2)CC3(N(C)C)CC3,QUQZCCZAKXFGJD-UHFFFAOYSA-N
-27E1C713DC7921EF_064C9D333CFCE79A_6009_UN,CC(C)(C)C1CCC(=CC1)C2C(C)[C@H]3C[C@@H](C2)C3(C)C,GJOWDXPIZDRHLS-XAMVCXPESA-N
-288379D338D44226_A94AD77DA0F714A0_6041_UN,OC(=O)C1=CSN=C1NC2=CC(=C(OC)C=C2)N3CCOC3=O,KDDNLZGSOGLHQP-UHFFFAOYSA-N
-28890A2772483797_4DF3176796DCE3FB_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,MIQWHAFVZYZWDH-UHFFFAOYSA-N
-28C14E43FF2BDC46_5FC33692D48FA643_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC=C(C=C2)C3=CSC4=NCCCN34,BIUCYCZBHZFJQI-UHFFFAOYSA-N
-29AFA981FA222502_69B4D47F4E95458A_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)F)CC4,WINLOJQDAHWIHD-UHFFFAOYSA-N
-2A76F0D66B0F2E53_F9AF2A0CED3F87C3_6029_UN,C1C=C(CN1[S](C2=CN=C(S2)C3=CC=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,JPPCYGHNNPMJHH-UHFFFAOYSA-N
-2B8285BEE1F58AFE_29AA7CBD975AFDA2_6031_UN,O(C(=O)C1=C(N=CC=N1)C3=NC2=C(C=CC=C2)S3)CC4([S](C)(=O)=O)CC4,RBRNMOKFWUIDLR-UHFFFAOYSA-N
-2D6F35087A27001E_E39B3190C8D97A49_6038_UN,N(C2=C1N=CC=NC1=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,VDBRFVTWFZXNAL-UHFFFAOYSA-N
-2F90FCC21B2250AC_A36220B23A879AD6_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCC(C4=NC3=CC=CC(=C3O4)C)CC5,OTXRBRKIZJPNEL-UHFFFAOYSA-N
-30EC8B42C517FA04_630700403722C6D7_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3C)N4C(=O)CCC4=O,HPMQWSFIGHKPRZ-UHFFFAOYSA-N
-30FAEE3360F33C4E_79C1357126A3298C_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,RBZSEFAOLRZBGY-UHFFFAOYSA-N
-311C16DFA169E048_4EE9A90419EBA21E_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CN=C(C=C3)C4CCC4)(=O)=O)C5=CC=CC=C5,SITYBMSPGDWNMK-UHFFFAOYSA-N
-31404B0D8B3FF7BE_6CFF152037977AC7_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C=CC=C3)OC4CCCC4,ORQWGZWQRAWMKA-UHFFFAOYSA-N
-3190785F6652EEAC_538896BD42530733_6026_DP,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC4(C3CCNCC3)CC4,PNQWJDBFGQJKRR-UHFFFAOYSA-N
-319378E795E00848_C3A5BA3CF7ACB604_6029_UN,OC1(CCN(CC1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CC=CC=C3,MIERRFULERORMY-AWEZNQCLSA-N
-31E2979392FFA730_C8CE3E6A0FD39F41_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CCC(C)(CC3)N4CCC4,CZUCFMHQMDNPTK-UHFFFAOYSA-N
-3235116CBDCB1190_FD795880F4A13C36_6041_UN,CC2=NC1=C(C=CN=C1NC(CC(C)C)C(=O)N(C)C)[N]2C,POFMZEOQDUDSRL-UHFFFAOYSA-N
-32513015EEF0505E_3BA70B6C1946D99D_6041_UN,C1(=NN=C(C#N)S1)NC2=CC(=C(C=C2)N3CCOC3=O)OC,ZZQUJZWGVJRZDR-UHFFFAOYSA-N
-328D34EBE6BD480B_80ACD3600E52BA50_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,BWMBVMULHWQREH-UHFFFAOYSA-N
-330D3A674711E76B_2D47ED5B3B53181B_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(CN(C(C(C)C)=O)C)=O,LKMOWOJBCUHIGN-BNUPFGNNSA-N
-3585D120350F9A06_9B068D855B182718_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2=C(SC3=C2CCC3)[N]4C=NN=N4,OBGRISPJCOTWTO-UHFFFAOYSA-N
-380220B05B82DF2B_1D71CEB9FF273990_2201_UN,CC(C1=C(C)C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4,VMGPACZOHCHWEJ-UHFFFAOYSA-N
-3810B123AF302A72_C9A7AAA2B11EF87A_6029_UN,FC1(CCN(CC1)[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,HMTXHFMXIDIMCK-UHFFFAOYSA-N
-397BC8A411583CFF_E0FCD076012C35C3_6009_UN,CC(C)(C)C1CCC(=CC1)C2C(C)[C@@H]3C[C@H](C2)C3(C)C,GJOWDXPIZDRHLS-UXSVLMETSA-N
-39CE39357DEE7A70_05208B1D702F6A3A_6041_UN,CC(C)[N]1C(=NC=C1N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,AHJAFFSQAUYKBM-IUODEOHRSA-N
-3A44C4C03F92A956_0D183A253DC51EBC_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CN=C(C=C3)C4CC4)(=O)=O)C5=CN=CC=C5,YNUWKZMOADORQZ-UHFFFAOYSA-N
-3A8B0C36804FCDA5_CC05869E636929CB_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,ZRJFLNYBNQAIEK-UHFFFAOYSA-N
-3B5FD218776B5338_E47DC0B2908B14ED_6029_UN,CC1CC(CN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=CSC=C3,CSDGRZAUMASGET-UHFFFAOYSA-N
-3CF39C5AA074B4D3_0E9FDD875794D69D_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4,BOAFWEXOPSAAFI-UHFFFAOYSA-N
-3DEB7D2C899DA28F_F0F5374E4FD56CA1_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NCC3=C(C=CC=C3)C[N]4C=CC=N4,XMQDHFGORXBEID-UHFFFAOYSA-N
-3DFC30024CFD2FDD_70E21E6788CE9E94_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CCCC3)C4CC4,MGWSTPWECTXKIO-UHFFFAOYSA-N
-3E494E9C0AA090BE_503AD8BB4FD46196_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CC4)C#N)(=O)=O,LEKGNPIXKFHAKO-UHFFFAOYSA-N
-3ED6FFC6C5051BB9_49D15E1DFD562837_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,LGJKJCQFSRHMPQ-UHFFFAOYSA-N
-3F0C19075A6B33AC_B8BF1B3029DCDFFB_6041_UN,CCC1=NC=CC(=C1)NC2=C(C=CC(=C2)[S](=O)(=O)N3CCCCC3)OC4=CC=CC=C4,NYRDPZGDGWCJKZ-UHFFFAOYSA-N
-402D148845265686_3300D33B0333E4C2_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3)(=O)=O,PLTQNMJYWICZJW-UHFFFAOYSA-N
-412FEFD963243774_2CE25B7336B3103A_6028_UN,C1C=C(CN1[S](C3=NC2=C(C=C(C=C2)Cl)[NH]3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,RBQROKZQXHOMPT-UHFFFAOYSA-N
-41DB332FE8D4F0DE_B52C7FF41207445C_6038_DP,CC(=O)C1=C(C=CC(=C1)C(C)(C)C)NC(C(C)N2CCNCC2=O)=O,BRAFOLYABJMCJR-UHFFFAOYSA-N
-4216B9E580911483_A53C69B335D45CEA_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=C(C=C3)C4CC4,RJAWLTHIRAIOED-UHFFFAOYSA-N
-423D0E60DF936319_DF6E331480CA2530_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Cl)CC4,SEUXRLFENYKVNT-UHFFFAOYSA-N
-429E1629EC139DE9_3ACE6F22FF70FA62_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,GEAZPXZBGMKAJS-UHFFFAOYSA-N
-4308B17E11080607_36A10CA451F0115E_6041_UN,CC1=NC4=C(C(=C1)NCC(C)N2CCC3=C2C=CC=C3)C=N[N]4C,SIYMDUYHMPACIM-UHFFFAOYSA-N
-445756ED5C800D14_E2018E24CC647362_7013_UN,N2=C(C1C(C)(C)C1(C)C)[N](C3=C2C=C(C=C3)Cl)C4CC4,BIAOKDOFLVLXJS-UHFFFAOYSA-N
-45B9A9677400AAC5_CB90282F5068E467_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC1CN(C1)C(=O)C2=CC=CC=C2)C,PVAGEBAKKIOONG-UHFFFAOYSA-N
-45C4DC70DCE10255_76DF7C749C1E3783_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,HNOXQGPXMTYDFF-UHFFFAOYSA-N
-46C48BFF94D9CD36_B22BB1A078AF722A_2201_UN,CC4C3=C(C1=C(SC2=C1CCC(C)C2)N=C3C(Br)C(C)(C)C4)C5=CC=CC=C5,VZFUQGKDBAXKDU-UHFFFAOYSA-N
-4843F36551B2945B_FA6D6A505D37F80F_6041_UN,CC1(C)CCCN(C1)C2=NC(=NC=C2)NC3CCSC4=C3C=CC=C4F,GEKBWUGHCTVCKK-UHFFFAOYSA-N
-486ED24CE15DACB9_38DB21EA3BA4350B_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=CC(=C(C=C2)I)Br)C=C3,DLXUVAWJVXYKJP-UHFFFAOYSA-N
-48ABEDDC3692C2C5_1FDF5CE0E2DB1C41_6035_UN,C[Si](C)(C)C#CC(OC2=CC=C(C1=NOC(=N1)C)C=C2)CC3=CC=CC=C3,OBMCJBGLCXSUNK-UHFFFAOYSA-N
-49B64DC04F280DE7_E0FD587C07FC22B8_6028_UN,CC1=C(C=CC=C1)C4(CN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CC4,VAHAPAMZZWMGBG-UHFFFAOYSA-N
-49DACB2FD7599265_AC16B9D86DCA91B0_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCC3=CC=C(C=C3)N4CCOC4=O,GRNZQMALYWXHPI-UHFFFAOYSA-N
-4A973D63AE7AFA84_262A7D0B8BAED436_6034_UN,CC1=CC2=C(C=C1)N(C(=O)[N]3N=C(N=C23)C4CC4)CC6=CC(=C5OCOC5=C6)Cl,KYLFYIXPMCPCOW-UHFFFAOYSA-N
-4AD398DF0984EA55_2BF440CCAF23EC86_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,QGTKLJKWCPNYKZ-UHFFFAOYSA-N
-4B436918ECCF78D1_7C9875F8027E2E99_6038_UN,CC[C@H](OC(=O)C1=CC(=CN=C1)N2CCCC2=O)C3=CC(=C(C=C3)F)C,QKFJWAYQBYPYKJ-SFHVURJKSA-N
-4C2E1138D084C72F_431F7B1204271837_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,CSLQPQIQHXAFSZ-UHFFFAOYSA-N
-4DE3649A086A4C91_456364A68EB9A417_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,WYRUHCIVWHKQRI-UHFFFAOYSA-N
-4F3547F71A8324C8_3B271C6E23DDD070_6041_UN,C[Si](C)(C)CCOC[N]1C=CC2=C1N=CC=C2NC3=CC(=C(C(=C3)F)N4CCOCC4)F,PHXJWRXJVVVRSR-UHFFFAOYSA-N
-4FDAF91B113176D9_F926446E5AE9FD98_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N3CCC(C2=C(C)C=C(C=C2)F)CC3)C,KOGARYWKNWHCOQ-UHFFFAOYSA-N
-50C559BCF237D588_0B8EC412D96CAC4C_7019_UN,C(C1=NN=C(S1)C(=O)NC2=CC3=C(C=C2)OCO3)=CC4=C[NH]N=N4,XLUBSLVLXKZIKL-UHFFFAOYSA-N
-51180C199E72CE66_E8C1F88166C0224E_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(CC)C=C3)(=O)=O,KLKZNWPLMFMMSF-UHFFFAOYSA-N
-51FB16453671BB57_8C5BB867E4DE7956_6038_UN,CC(C)CC(NC(C=C([P](CC)(=O)O)C)=O)C(=O)NC1=N[NH]C=C1,IVCWMMOHNSSJGA-UHFFFAOYSA-N
-5350DC2479916265_2623497C0F6395E3_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3(ON=C(C(C)C)C3)C)=O,JTPOXPOEBBVXQO-UHFFFAOYSA-N
-54227EB5F8D3D7E6_FCD9235E222C31BF_6038_UN,CC(C)C(OC(=O)C1COC(=O)C1)CC2=CC=CC=C2,ZGCALUBZWYXDMK-UHFFFAOYSA-N
-54B5A9AF74D6E51A_C48328D6AA36893A_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,GHBYCIRKSMEVJN-UHFFFAOYSA-N
-54DC6B467DC61E8B_1585E6B3507ACC1E_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)SC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,CFBYPRXTUOXXPW-UHFFFAOYSA-N
-54EDAAEF4CAADCD9_ED474B32FFB96647_7022_UN,C1(=CC2=C(C=C1)C=C(Cl)C=C2)OC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,WDPZWXIFMXIILD-UHFFFAOYSA-N
-55EA496DB6F0E2F2_760AA6DB8B519ED8_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3)Cl,ACWLLCDCHXEKIU-UHFFFAOYSA-N
-572B4969703ABFA8_27CE98B7F3CC04D6_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C(C)C)C=C3)C)(=O)=O,NIOGAIXXHBKQQH-UHFFFAOYSA-N
-5790DEC07646BD0F_3EAFD103B18488DA_6041_UN,OC(=O)C4=CC1=C(N=CN=C1NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F)[NH]4,VGMIWIUDHFRTIE-UHFFFAOYSA-N
-58087AC295C9BF49_573025B4A18D7FD1_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NCC3=CC(=CC=C3)C[N]4C=CC=N4,KPYMDVUHQBTXTC-UHFFFAOYSA-N
-581934309EE41151_42438F130FF5D1A6_6029_UN,C1CN(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=NC6=C(C(=N4)C5=CC=CC=C5)C=CC=C6,WXBYRKKRSILQJW-UHFFFAOYSA-N
-590FC99355540011_FA4B4EEF51B3317B_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCCCC4)C#N)(=O)=O,NUMDNVLWDPDVCI-UHFFFAOYSA-N
-59CC06D4251A435D_87D275096460C16A_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,KDIRGJXTZZXLBW-UHFFFAOYSA-N
-59EB44940C11EC04_2B4B4BB6D34D22B6_6029_UN,CC1=CC=C(C=C1)C2(C)CCN(C2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,OLQJDXUPJQPKDL-UHFFFAOYSA-N
-5AD5DF584C171D12_B3D3E9B91FED36B3_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CC4N(C)[S](CC4)(=O)=O,ATNDLCKBHQLUHD-UHFFFAOYSA-N
-5ADE64E7553798A7_920B14B3D456C77B_6029_UN,C1CC(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)OC3=NC=CC=C3,UCHHICZZLPGZFB-UHFFFAOYSA-N
-5CCB96745857FF00_5B0B284BF4BF08C3_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC=NC3=C2CNCC3)=O,PVCZMSWQCNATJN-UHFFFAOYSA-N
-5D400354C57C6240_7EBACE9DD05457D7_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=CN=CC=C3,MFCRBAQPIGAFLE-UHFFFAOYSA-N
-5D64EB80C16C3D3C_D97490274C0C2146_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4)C,PBOWRGOHONUYBF-UHFFFAOYSA-N
-5F0136903C96C060_153FE060C37449CE_6038_UN,CC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CCCCN(C)C,MFXUWQQYVFENOS-UHFFFAOYSA-N
-61FD773838479236_A222D5A189B6847A_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC(=CC=C3)N4CCCCC4)(=O)=O)C5=CN=CC=C5,DLMRIOUJQJOGBD-UHFFFAOYSA-N
-6303234259FADC88_40FBACBE67957F48_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,QPPUWRODANJUAL-UHFFFAOYSA-N
-631B1B70CCB8911F_3DBB140621892DF4_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=NC=CC=C3,LNHMRYWDZFVYEJ-UHFFFAOYSA-N
-6374319B832F4CD3_13ACEDDADEC7F460_6029_UN,OC1(CN(CCC1)[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CC=CC=C5,CXIIZXRMYCVFTG-UHFFFAOYSA-N
-64FB542180748999_BDF5E22F65799F5D_6029_UN,C1C=C(CN1[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O)C3=NC=CC=C3,MJFVSWFQHYJFSY-UHFFFAOYSA-N
-652F3919B5CF90A3_105A8DDFE48B3EFA_6041_UN,CC2=C1C(NN=CC1=C([N]2C)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F)=O,PUYDCIZPGYIBFL-STQMWFEESA-N
-6545C7BA72CC537E_9D9AC70CE13ACDDF_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)N2CCNCC2)C(C3=C(C=C(C)C=C3)C)C4,LLDFFDHZTHZPFF-UHFFFAOYSA-N
-655CBFD1B9086209_C870DA3C079B29F7_6003_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)C4=CC=C(C(=C4)[S](Cl)(=O)=O)C#N,BADRBKRRKBQRAU-UHFFFAOYSA-N
-6602BE1ADAF745B1_CD5734511460B201_6028_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=NN=C(C2=CC=NC=C2)[N]3C4CC4)(=O)=O,BNKYICDEFVYRHH-INIZCTEOSA-N
-66498065688A3A81_E7A3F3D171C497C4_6029_UN,CC1CN(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=CC=NC=C3,WHELJISNFZTSTC-UHFFFAOYSA-N
-66BAE9132A2E1261_6A91E93B118A79FC_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)C3=NC2=C(C=CC=C2)O3,MEUVLMXJJCOLBD-UHFFFAOYSA-N
-67AEA4C041F90524_03E6B882EA6F45E1_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4C#N)[S](C)(=O)=O,STSXQNIZDKUGFB-UHFFFAOYSA-N
-685A463D596CFA34_26F809B6D8594450_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3=CC(=CC=C3)OC4=NC=CC=N4,AGZOBZFWVUWILJ-UHFFFAOYSA-N
-68B5485E3316B803_07B4CDCC510B43BA_6035_UN,NCC1=CC=C(C=C1)N3CCC(COC2=C(C=CC=N2)[S](=O)(=O)F)CC3,VJXNHLXFRCRGGT-UHFFFAOYSA-N
-690F5FDC2259F0B5_3AF5376DFF62A363_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC4(C3CCNCC3)CC4,LOYJALVXPQOSKI-UHFFFAOYSA-N
-69CD5931892E42AA_29765592EC5E6B53_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CC(C)(C)O)(=O)=O)C4=NC3=C(C=CC=C3)S4,QFEUXDJJUKJALT-UHFFFAOYSA-N
-6A5B9BBC491ABB11_734C046351BADB70_6041_UN,CC1=NC4=C(C(=N1)NCC(C)N2CCC3=C2C=CC=C3)C=N[N]4C,YJHKWANLHQRNMC-UHFFFAOYSA-N
-6B9A0EE11BACC326_3A8958CD7D03389F_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CCC3(C)CC3(F)Cl,LKPBLZHKSOFDMT-UHFFFAOYSA-N
-6C74CA0A2C7A223E_8310C3FFA7A99C53_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C=C(C)C3=CC=NC=C3)=O,KUQLDZGLAFDBRO-UHFFFAOYSA-N
-6D37F700E0EB2E4E_780C3784D5D4ACA9_6029_UN,N(C1(CC1)C2CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,ZQGNSLIEDFVBSK-UHFFFAOYSA-N
-71030069F5F89D98_C9E8209271087A76_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,SDDZGBZOMYHALS-LJQANCHMSA-N
-718DAEADDC7CC143_EF55418869C224FD_6027_UN,CC(N(C1=CC=CC=C1)[S](=O)(=O)C3=C2C=CN=CC2=CC=C3)C4CC4,DDRPMAFKDKUEEB-UHFFFAOYSA-N
-7282E8D3F9AAEA36_7D3F11E7312BD226_6029_UN,N([C@H]1[C@@H](CCC1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)Br)(=O)=O,WHPNJEMQZNLTLG-JDBFWQQPSA-N
-735FC183947652CE_3DAD37D49957F0C8_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,JUEODARYPLDLJH-UHFFFAOYSA-N
-74CC47B561269B14_F5E577EC8F5039C4_6041_UN,CC(C)C1=NC(=NC(=C1)NC4C3=CC=C2C=CC=CC2=C3OCCC4)C,FZUXCVPIJZWUPL-UHFFFAOYSA-N
-751829ED708E9FF3_322AC658B39378B2_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,JGVDGKXIOYVAAN-UHFFFAOYSA-N
-752084A3D1119D13_E5A616CCD03328EB_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC4(C3CCCNC3)CC4,MLZBHUUNIUOLMC-UHFFFAOYSA-N
-75B6F580F6B2BEB6_E61262DFF6BFDAE4_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C(C(COC)C)C)=O,NIIWRUZXBAFWQP-UHFFFAOYSA-N
-76B2AC6DAF59760C_83893F6E20F4CD9C_6038_DP,N1C[C@@H]([C@H]1CNC(C(C)N2CCNCC2=O)=O)C3=CC=CC=C3,ZOYUCEHEPNTOSI-JENMUQSASA-N
-7751CB5144088D3A_38CAD28FDA4BA2FF_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)C2=CC=CC=C2)CCN(C3=CNC(=O)NC3=O)CC4,BPQPEELVNZGQJS-UHFFFAOYSA-N
-7755032E4869FC8D_0D379B0FECEA31FC_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCCC4)C#N)(=O)=O,YNRYWTLDOSLOMJ-UHFFFAOYSA-N
-77A7C446C2C5E3EA_34FD724A2CF98859_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=CN=CC=C3,ADRZJOABWWUWPG-UHFFFAOYSA-N
-780243FAB7D7D696_EF69BAAF92C23B76_6026_UN,CC1=CC(=C(C)O1)[S](=O)(=O)N3CCC(CCC2=C(C)C=CC=C2)CC3,VUIHBURCJMECPZ-UHFFFAOYSA-N
-7B200591AD51318E_9B26EA1E3C07F96A_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2N[C@H](C)C3=CC4=C(C=C3)OCO4,CQBBQUWZQZKJNU-SNVBAGLBSA-N
-7B658321EBBDE2C4_CEA099220D6AB2C4_6041_UN,CC(C)C1=NC(=NC(=C1)NC2CC3=C(OC2)C=CC4=C3C=CC=C4)C,MOSQSPJFTPVUIR-UHFFFAOYSA-N
-7BCBDB0B8D1E9F02_470251CFBFEA4C5E_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=C(C(C)C)C=C3)B(O)O,LPELYDVRAHKKNS-UHFFFAOYSA-N
-7C5F1F70830C935D_60B76771CCC57B13_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)C)CC3)C,RWMKIVICXNHART-UHFFFAOYSA-N
-7C8EA31D37814AD8_08BD199ABA5C90EB_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)NCCN3CCN(C)CC3C4=CC=CC=C4,PNVZNGPSPRBQPP-UHFFFAOYSA-N
-7CEEDB68EF9DBC3C_62727727DCEC339D_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=CC(=C(C)C=C3)C)CC4,UVURHBYPKUEVJJ-UHFFFAOYSA-N
-7D1972733277AB24_C963F96371CECCA6_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,SSWUOQYPUQTZMK-UHFFFAOYSA-N
-7D28700CF3A07DAB_9B3CC2AC3387FCDE_2201_UN,CC(C)C3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,POHUOPJDANMZGE-UHFFFAOYSA-N
-7D8D19470B9FF243_13B9CDFBDF188D8E_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4=CC=C(N3CCCN(C)CC3)C=C4,IOFPPOCUNFGYCG-UHFFFAOYSA-N
-7E1B3D5DC9909531_C4F6D13477EA22BE_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,CJNGGQCJPDUARY-ASFAAARLSA-N
-7E27CBE88276F53F_103428BFF6D42FD0_6039_UN,CSC(C)(C)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,DLVPSPHKHPJUQP-UHFFFAOYSA-N
-7E6C4C803DCFB957_3E31F31891A0F160_6038_UN,CCOC(=O)C(NC(C=C[P](CC)(=O)O)=O)CC(C)CC,AYVKUSROVQBMSD-UHFFFAOYSA-N
-7E7C627E7DCCE0C0_44701E7A04EBF1DC_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CN=C(C)C=C3)(=O)=O,OKHOZPRUGDSYLD-UHFFFAOYSA-N
-7F7CD0F223312702_ABA0D72215B1E0BC_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C3=NN=C([N]3C4=CC=CC(=C4)C)C5=CC=CC=C5)(=O)=O,ZXVCUQNEALKCLF-UHFFFAOYSA-N
-7FC19D6225BB7F40_0B20B298CF9983F3_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(N2CC(C)(C)C2)CC3)OC4=CC=CC=C4,PKIPVKAUJYWIBM-UHFFFAOYSA-N
-7FF5E4BC10EA228C_C548A0DB3746FA67_6035_UN,NCC1=CC=C(C=C1)CN3CCC(OC2=C(C=CC=N2)[S](=O)(=O)F)CC3,UVKPRKXAASPHBA-UHFFFAOYSA-N
-80344E23D6333D09_BB281B5A05F2115B_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,ADDADBPERGKHJZ-UHFFFAOYSA-N
-8053A92B73BF40BA_13453FBB8B00D5D8_6029_UN,C2CC1=C(C=CC=C1)[C@H](N2[S](C3=CN=C(C=C3)C4CC4)(=O)=O)C5=CC=CC=C5,DUUCPAHJAJPHLR-HSZRJFAPSA-N
-83DF757B8B70F2AB_998D27C8A922A127_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=CSC=C3,VUUNICKGHQXVSF-UHFFFAOYSA-N
-84393EED13D034D0_580F65BE8D325247_6041_UN,CC(C)[N]1C(=NC=C1NC2C(C)COC3=C2C=CC=C3)C,FOAURYZXGHBVOJ-UHFFFAOYSA-N
-84D5DAB0604592EA_9A13801793095639_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CC2)[N]3C=NN=N3,MTQYPKKYTOWVTG-UHFFFAOYSA-N
-850795939C2988EE_1754074492765026_6041_UN,CC(C)[N]1C(=NC2=C1C=CC(=C2)NC4=CC3=C(OC(C)C3)C=C4)C,AQLFNRLZJJTDAQ-UHFFFAOYSA-N
-85AB9009056612F7_0D18077B0361D850_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,XVNKACXEBHRBCA-UHFFFAOYSA-N
-85C5A2BA93AD46F4_93C063C63B13A24A_6029_UN,C[C@@]1([C@@H](C1)C2=CC=CC=C2)N[S](C3=CC(=CC=C3)OC4CC4)(=O)=O,BBJGAVMYCGELBM-RBUKOAKNSA-N
-87A5E9E233755C4B_52448DBB0F540136_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CC4,UHVMYPHAUNRKTM-UHFFFAOYSA-N
-87F9F5739B5EBB2B_FD16E92B35DBE18E_6029_UN,N(C1C(CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,FDJQFUCRXKDZOH-JAGHRAMZSA-N
-8873002DEED4249B_8225F279CB4CA1C5_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)NC[C@@H](O)[C@@H](O)C(=O)O,DMMSXBXVHKFIJF-ZIAGYGMSSA-N
-8910E322FC234533_AFC358C042A3F6DB_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CCSCC4,HOTIITDZYOLTBL-UHFFFAOYSA-N
-897CBBBD9D68B972_1CE6674174E73FD7_6036_UN,C(C1CC1)(C2=CC=C(C=C2)Br)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,OXPGWFRHGNVZEZ-UHFFFAOYSA-N
-89CA58C6AAA60EB6_BA13376479C66A6D_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)O[C@H](C)C3=NC2=C(C=CC=C2)S3,QQZSLGSNSWEULZ-CYBMUJFWSA-N
-8A17B58A580509D0_FC0947F3F2247D4A_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,PSKFBEGJYQJFSW-UHFFFAOYSA-N
-8A37C54B8D0C63F6_5DB9BF8D97DE3C94_6026_UN,CC1=CC=C(C=C1)[S](=O)(=O)N3CCC(CC2=CC(=C(C)C=C2)C)CC3,SLONHRHKVZXTKN-UHFFFAOYSA-N
-8A6679DCFC37F6EF_53D58136A4AD99EF_6036_UN,C(C1=C(C2=C(S1)C=CC=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,CIOGGRDTAGPPGG-UHFFFAOYSA-N
-8C0C6DB37C8DDA0F_3F6E981BF45FF3B0_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=CN=C(C=C3)C4CCC4)(=O)=O)C5=CC=CC=C5,SITYBMSPGDWNMK-DEOSSOPVSA-N
-8CECA3F50F0357D3_3C2056FF2F5713A8_6029_UN,F[C@H]1CN(CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,FFNGFNLAFDRCFC-AWKYBWMHSA-N
-8CF9A9C8917B69B9_2CB8E0F714CF96D7_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=CC=C(C(C)Br)C=C4)(=O)=O,ACPKWKDJAUSMEC-UHFFFAOYSA-N
-8D76BAED99CB8DBD_2AC98B60BFD56214_6034_UN,CC2=CC1=C([N](C=C1)C)C(=O)N2C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,MWXFCQWGBWVWOQ-LSDHHAIUSA-N
-8EC307FEE692A534_3DDE47C1C4E07247_6029_UN,CC1CN(CCN1[S](C2=CN=CC(=C2)C(F)F)(=O)=O)C3=CC=CC=C3,PUOHNHGUFRXOGO-UHFFFAOYSA-N
-8EDB6C9338D67839_8008E9657490FCC2_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3([S](C)(=O)=O)CC3,VJPIVMBTCOJLDN-UHFFFAOYSA-N
-90495F1DBB4F38A9_3899335A1FB410F1_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)Cl)O4,XLVKPNMYEFDXPD-UHFFFAOYSA-N
-911085E1394F0F4A_22E91C9528CFE16D_6029_UN,N(C1=C(C=C(C=C1)Cl)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C5CN4CCSC4=N5)(=O)=O,UKTGXWKLYMHTBE-UHFFFAOYSA-N
-93EAA33A7F6732BC_B6B245C3CFE9DF33_6041_UN,CCC1=NC(=N[NH]1)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,REIGLUYRABQAQJ-XWVIHRIXSA-N
-96B0367773ACE9FF_2F001C84B59B226A_6038_UN,C[Si](C)(C)C#CCNC(=O)C1CN(C1)C2=NC=C(C=N2)F,ROOSNXSDWRGJNW-UHFFFAOYSA-N
-981E6FDF520494F2_A34873392C99B2C3_6026_UN,FC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCC(N3CC(C)(C)C3)CC4,KDKCNIOFARKRFX-UHFFFAOYSA-N
-9941421EA9FCF2B1_B212F997E0A18A34_6034_UN,CC1=CC2=C(C=C1)N(C(=O)[N]3N=C(N=C23)C4CC4)CC6=C(C=C5OCOC5=C6)Cl,PFQWSKRZNVQXGQ-UHFFFAOYSA-N
-99768EF115766745_CA2CEBF1A64E0979_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CCC4,BTSIJYPNSGNFHQ-UHFFFAOYSA-N
-99FD412EC6D97EB2_95264F35AECB7C10_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=C(C=C3)N4CCOCC4=O,UDLKPPVXTCXCMK-UHFFFAOYSA-N
-9AA6152C8CFB44C0_1FE6E79606051CB9_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OCCC)C=C(C=C3)F,ALBSMKDBXVUYOF-UHFFFAOYSA-N
-9DC7F2D68BD823B6_2E0CAA8FBB86D8D9_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,UTFTWPAQBWVIOK-UHFFFAOYSA-N
-9E17F7E255C499E4_E73ED2A752BA8192_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=C(C(F)F)C=CC=C4)(=O)=O,LNXFWAVKZXAWSJ-UHFFFAOYSA-N
-9F7ECC497742E3B3_DAE8DEDD8B052DF1_6041_UN,CC1=C(C=CC(=C1F)C#N)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C,WYKYXDVFYQOFSH-UKRRQHHQSA-N
-9F896FE2437D0E9E_E4325D66F8822CEF_6029_UN,C1CC(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CN=CC=C3,DJKQFONLWDPHLH-UHFFFAOYSA-N
-A00625783FA7FE09_BC95F689E2C8E8A5_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CC[N]2C=NN=C2CC3,OMUXJXWKAFOEFF-UHFFFAOYSA-N
-A0237DFC3302E84D_8BEAC2048858ABF8_6029_UN,OC1(CCN(CCC1)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O)C5=CC=CC=C5,LUMCQYTWJPHZRG-UHFFFAOYSA-N
-A0D4D27CA983B0A2_1EEF32D2059F6A9F_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=CC(=C3)[S](=O)(=O)Cl)=O,DUBASFVGAYAGBP-UHFFFAOYSA-N
-A37B3FA3A0C9587F_A1B79FE94D2A578C_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CCC3)C4CCC4,WFTJABGFUYPGED-UHFFFAOYSA-N
-A4E9B518534EF6A9_C2BE24B779301D32_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,DXUSZECWSCWIGF-UHFFFAOYSA-N
-A4F2BC13BEFFA84C_C23545FF6F39645C_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,BHYIXCHQEMLZLU-UHFFFAOYSA-N
-A50211CA1A05A29A_B44A62693380BA54_6026_DP,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC4=C(C=C3)CNCC4,HMTTUCDHONETJH-UHFFFAOYSA-N
-A5A087A9AA4BFD9C_827A49C4CFA63B11_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(CC2)C=CC(=C3)C4=CC=CC=C4)C,NEOUWYBNCOAFAW-UHFFFAOYSA-N
-A5FC3444FDDBBC8F_7A1DAF3CA7D0B772_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,KVRVNUXZJOXQJS-OLGRIWOZSA-N
-A65B83413E480494_8E05859864B16C5F_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,JYYPCIXNZHTVRW-OLGRIWOZSA-N
-A6FA831E4EE555DC_2F800D401011DDD2_6031_UN,O(C(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)CC4=CC(=C(OC)C=C4)B(O)O,HJHHSRNDXXLBRA-UHFFFAOYSA-N
-A8D3A894E655DB14_BBA0D03094E04775_6029_UN,C1N(CCC(C1)N2CC3=C(CC2)C=CC=C3)[S](C4=CN=CC(=C4)C(C)Br)(=O)=O,VHMFGATUUOOYEY-UHFFFAOYSA-N
-AA61623480BED997_3BE3A46B8F75E0DE_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CC=C(OC3CCN(C)CC3)C=C4,VTOHTAJKYRLRQA-UHFFFAOYSA-N
-AA6A3BD91672C703_F69DE5457D743F09_6028_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,FFUZLBJTVPHVNW-UHFFFAOYSA-N
-AACB203EEDA3CA79_027B140A1A17CB5C_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC(C)C2C(C2)C3=CC=CC=C3,IDDREEWGFCMZHY-UHFFFAOYSA-N
-AAF26D60E64FAF44_C06D3E6CFF838D13_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,BLPDNQSZHIYJSP-UHFFFAOYSA-N
-AC3BA4DDABF916F9_19B359F2BF4C0FD8_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,LAAKPEJNRCQYGY-UHFFFAOYSA-N
-AF81A19E81D4EC45_5799111A2A94DCF9_6041_UN,CC1=N[NH]C(=N1)C2=NC=C(C=C2)NC6(C3=C(C=C5C4=C3OC[C@H](C)N4C=C(C5=O)C(=O)O)F)CC6,JNZHBLKCFAMSMX-NSHDSACASA-N
-B15DDAF13B9D5504_38AE313CF1720C7B_6041_UN,CC1=N[NH]C=C1N[C@H]2[C@@H]4C[C@H]([C@@H]2C3=CC=CC=C3)[C@H]([C@H]4O)O,MXRANJBLVXDTHW-WOUMZJHPSA-N
-B1C5CF0DC183C729_83A8A92D425B08CC_6026_UN,FC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CC(C3C(C)(CCC3)C)CC4,NDGRAXKKNXVLHI-UHFFFAOYSA-N
-B1EFE487E394B498_5148E92B1FA03E4D_6029_UN,C1C[C@H](CN1[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)OC3=CC=NC=C3,LKMVWQNDCIRMCV-MRXNPFEDSA-N
-B2098F1789A86D57_0812ECC71C642D76_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,GOJXMPNXHNONPY-UHFFFAOYSA-N
-B2C5341E0E1AF1DB_C8A3EF450FBADF9A_6029_UN,C(C1CCN(CC1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CC=CC=C3,GFKCVTMESFEMJD-HNNXBMFYSA-N
-B36D99D324FE2A68_115FD2C8D74C491E_6031_UN,O(C(=O)CN2N=C[N]1N=CC=C1C2=O)CC4=CC=C(N3CCN(C)CC3)C=C4,IDNXNDOYIMCGHM-UHFFFAOYSA-N
-B3C16A60911D4020_A246FA85EF5E0751_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CCC3=C(C)C=CC=C3)CC4,PTADQGANYRCPRA-UHFFFAOYSA-N
-B42249DC9EF6075E_D3F5A8E7E4488020_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NCC(=C2CNC2)F,CODUWMFTNLMSOX-UHFFFAOYSA-N
-B43E5FB85C53E624_3257B1EA459A5F58_6038_DP,N3C[C@H](OC(C(C)N2C(=C)C1=C(C=CC=C1)C2=O)=O)CO3,IBPFZCLFFWUJNQ-DTIOYNMSSA-N
-B57EF796C617D92C_90744BBCA7A9B8B7_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)N=C(C=C3)C#N,UAISGCIVYYRBRY-UHFFFAOYSA-N
-B60E087B43104365_E269466F85A95DAC_6041_UN,O=[N](=O)C2=C1N=CSC1=CC=C2NC3=C(CCC3(C)C)C#N,KXIYHDOLEUFNLK-UHFFFAOYSA-N
-B623A915E71F2B94_9111958ABAE283F8_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=CSC=C3,YPANVOSSUXLZKB-UHFFFAOYSA-N
-B7688BB7FBF589AC_0C6604D676E70BFA_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C4=CC=C(C(O)C3CC3)S4)(=O)=O)C5=CN=CC=C5,CXXWMIDROZDPLK-UHFFFAOYSA-N
-B7F460A0720220BB_CBA67DCD615407DA_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC(=CC=C3)C4CC4,ZCOJDIICQMKHPW-UHFFFAOYSA-N
-B81FD7200E3E806B_71051B6E43752EFA_2201_UN,CC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(Br)C(C)(C)C4,ZKXRXAIRCUNMTE-UHFFFAOYSA-N
-B903424F4B8CD483_9DB35BBB844C8189_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4=CC=C(N3CC(C)(C)C3)C=C4,YCRXSYHKHSVHAZ-UHFFFAOYSA-N
-BBC408F2E9C3881E_F52D97283BE43C7C_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(N(C)C)C=C(C=C3)C,RERUYYWLAPECJN-UHFFFAOYSA-N
-BD48013E5095C361_DF5915255D13964B_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,QRPANUOZOIAVEC-UHFFFAOYSA-N
-BE69579976AF9F7B_FE581ABB702983F3_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(CC4)C5=CC=CC=C5,NXHDAHICJQAQBA-UHFFFAOYSA-N
-BEB279EEC6679600_5DA1BAE2BAB45DD4_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,YEOVLKIUBWSRCK-UHFFFAOYSA-N
-BF1A1510AC3A49B2_80FBC95012058140_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC(=C2)Br)N3CCC4(CC3)C=CC5=C(O4)C=CC=C5,ZJVIWZLWMCKSDI-UHFFFAOYSA-N
-BF422559D3E9CFD4_F33EC574FFDFC8CA_6028_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CN=C(C)C=C3)(=O)=O,UJEBSTOWXVZFDV-UHFFFAOYSA-N
-C271BCA7D4E23A63_1A6294497C4A2D20_6028_UN,N(C1(CCC1)C2=CN=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,FOFCFBWEXMHQFF-UHFFFAOYSA-N
-C2875D85BDB5FC12_D9CB47370076C1BA_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,MLIRIJBALUIQQB-UHFFFAOYSA-N
-C2C8B67E39E67C05_D676807A2382C6AB_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OC(C)(C2)C)C=CC(=C3)F,NSJYCBKYWDZAQN-UHFFFAOYSA-N
-C31010EE2219BE9C_846500A6D30E07E5_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC(=CC(=C2)OCC)F,FNJYTYYJCHMQKG-UHFFFAOYSA-N
-C5269812F25F2740_2155A7D93F5012E9_6029_UN,OC1(CCN(CCC1)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O)C4=CC=CC=C4,YVOINMRHOIASJH-UHFFFAOYSA-N
-C5753578E258BFE4_B27F8F422C8185E2_6029_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC4=C(C=C3)C=CC=N4)(=O)=O,UANSVQKHTVBTJY-UHFFFAOYSA-N
-C644EEEFC654B475_AEA65A4B8DB21E4C_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,AQQHPMFLPZAYEI-UHFFFAOYSA-N
-C64FE214F49C4F08_A4442F145436488F_6038_UN,CC(OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C3=N[NH]C=C3,JZJXHBMXKGUVAE-UHFFFAOYSA-N
-C6914C20C331A7FD_A9071DF40662AFB4_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)CCC(C3=CC(=NC=C3)N)C4,ODKJKOCRDYPQPX-UHFFFAOYSA-N
-C7F8668FE37BF562_182B0446F4096D5F_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCCC3=CC=C(C=C3)C4CC4,UOLKWDGPMFFYOK-UHFFFAOYSA-N
-C89AA7CDDB6A5965_B1B173C64E4A5CD0_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC4=C(C=C3)C=CC=N4)(=O)=O,RHXUOSXSTCCMFM-UHFFFAOYSA-N
-C948899505BB7B42_E2C8E87839516667_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,FXHHCZZYYMYNTG-UHFFFAOYSA-N
-CA84CF83AC389ED8_309CAE079F54F87C_6027_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,LYQWZMDSSLSGAP-UHFFFAOYSA-N
-CAE5D6E9387ACC20_8553ABE51BB8082E_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(SC)C=C3)(=O)=O,LUWJJEFTNRZVAQ-UHFFFAOYSA-N
-CB031CBC1115AC0B_040C6A3650CABAE2_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC[C@@H]3[C@H](N(CCOC)C(C3)=O)C4=C[N](N=C4)C)F,RRQOHYZOWCMJQO-BLVKFPJESA-N
-CBA274A308441D76_BC0240833621C9E7_6041_UN,CC1=N[N](C)C(=C1F)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,BAQUVLRMSOWCGN-QIYVGLNVSA-N
-CBA45C8A9AC3990D_7FF501B6D174A9F3_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC(C)(C)C3=C(C=NC=C3)F,GXMFWMPCOYTSBH-UHFFFAOYSA-N
-CCE42E64E497CEBD_C6EC60C412DA36A2_6029_UN,ClC1=CC2=C(C=C1)OCCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,HJZSWLPBEGOVRX-UHFFFAOYSA-N
-CCFB4E90CF0CDC15_0EBCE90BA5051A48_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,ZTDXTRSYVLKFOR-UHFFFAOYSA-N
-CD4F8EABD814CB47_1C8B1835F0A750DC_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=C(C=C2)Br)N4CC5=C(C3(CCCC3)C4)C=CC=C5,UMMWXHJTLKLYSF-UHFFFAOYSA-N
-CDDA49C610512F19_AE90341391028868_6026_UN,CC4CC1=C(C(=CC(=C1)[S](=O)(=O)N3CC(C2=C(C=C(C)C=C2)C)CC3)Cl)O4,XUTRZJGIEWUWII-UHFFFAOYSA-N
-CE4F41A556CB2B58_94323D691D1B989B_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=CC=CC=C3,TXKHTXMQTWVFGU-UHFFFAOYSA-N
-CE8D881359A20AEB_D0B2A1CE8B1CD874_2201_UN,CC(C)C4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C4,AAGKWISKWPBRFE-UHFFFAOYSA-N
-CECA03605B527C9C_AED5F3361F2B775D_6029_UN,CC(C)C1=CC=C(C=C1)C2(CN(C2)[S](C3=CC4=C(N=C3)OCO4)(=O)=O)O,OWBUJOOCIBIYBW-UHFFFAOYSA-N
-CF426E22C49222F0_02FF71296157714A_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C)C=C(C=C2)F)CC3)C,AEEIRKRTQZXYOH-UHFFFAOYSA-N
-D13FE6A51E3F5AA6_318FD4DB1506ADB7_6028_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CN=C(C)C=C3)(=O)=O,NJEQKUZRUVIXPL-UHFFFAOYSA-N
-D1C6944338F6F25E_B13D2E7114C98DB3_2201_UN,CC(C)C3CCC(C)C4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VTJSLKITLIHCTF-UHFFFAOYSA-N
-D2118873729EFC16_2B00C5964E618690_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(C)[N](N=C3)C[Si](C)(C)C,CMVGQQLBNHQATP-UHFFFAOYSA-N
-D21AB17618C9356B_AA5EF7070D39EDE6_2201_UN,CC(C)C3CCCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,OYMDYTWDJZGSQA-UHFFFAOYSA-N
-D2EFDC518568D15C_34B5B87C551E0828_6041_UN,CC1=N[NH]C2=C1N=CN=C2N[C@H]3[C@@H]5C[C@H]([C@@H]3C4=CC=CC=C4)[C@H]([C@H]5O)O,PVBMGBMRNGCSSK-SBWDDHIQSA-N
-D31118A67DE6881D_F9065FFB6B289B07_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4=C(C)OCCC4)=O,YDGLTTIGRMZDAA-UHFFFAOYSA-N
-D342F0C9F6BF6D73_60EE76DC54320B44_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)F)[S](N(C)C)(=O)=O,YHJXVJZFVJVNCD-UHFFFAOYSA-N
-D35CE7E5A56AD278_0EB02B9413B2F041_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CCC(C)(CC3)N4CCCC4,IZDYXPKMYSJIDD-UHFFFAOYSA-N
-D3F50F4D09AB9757_F95E46C41CEFCA39_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,HGJMANYSVYSCJR-UHFFFAOYSA-N
-D40D25DA3CAADA36_75D8CA85B0448A0D_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,ZMZIWRBXRKBCKG-UHFFFAOYSA-N
-D5A39678C4E1C9D3_798E9B1041384089_6029_UN,C1N(CCC(C1)N2CC3=C(CC2)C=CC=C3)[S](C4=CC=CC(=C4)C(C)Cl)(=O)=O,OKAOHSWDZOWQMC-UHFFFAOYSA-N
-D5AAB628A915F3FB_FA03C9A329DEF4E7_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC(=C2)Br)N3CCC4(CC3)CC5=C(CC4)C=CC=C5,ZJASNTFARGPAET-UHFFFAOYSA-N
-D6D285A62FA35ED5_DC77BB210626817E_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3)(=O)=O,GWNXEOGMURTYBQ-UHFFFAOYSA-N
-D747CAC60F86D280_DC97E9A13FD84F79_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,SZFCKFOXQQCAMY-UHFFFAOYSA-N
-D78E03D1A8964B4B_20DE7ECEECADD891_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,RBQBAPATFRBDQL-UHFFFAOYSA-N
-D7D9A750D0B2A5DA_C8C2E85E1588156E_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)C2=NC=C(C(=C2)Cl)Br)C=C3,HWUYAXXCORBVEQ-UHFFFAOYSA-N
-D8A8A08C86F76A7A_53769E03AAF2228B_6029_UN,FC1(CCN(CC1)[S](C3=C(C2(O)CCCCC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,RLZDWNWNXBLRLW-UHFFFAOYSA-N
-D92222FF82A2B8E2_59E81ADED8012658_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,IALDAUMCADMPEA-UHFFFAOYSA-N
-DA4FD47AE155C75A_84B96D301FBA316E_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N5C(C4(CCC4)C5)C6=CN=CC=C6,JLAYQCRZAYAVJM-UHFFFAOYSA-N
-DA5DFE4506C5252D_5F17C07016F3C5C3_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=C(C4=C(C=C3)N=CC=C4)C#N,JIDLFAXTGLBIQP-UHFFFAOYSA-N
-DB5CD4A4421EEA81_042B6FE5D0E8FA78_6029_UN,C1C=C(CN1[S](C2=CC(=CC=C2)C3CC3)(=O)=O)C4=CC=CC=C4,NIKMXQDLLYYPLJ-UHFFFAOYSA-N
-DBADAD694A9074A2_B8E49B9ED2AB75F4_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,RZXVJAVTYPILBW-UHFFFAOYSA-N
-DC18E1F936B9B1A6_931AF8E3ED38E7DC_6026_DP,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC4(C3CNC3)CC4,NCNVVDAMGNTKBA-UHFFFAOYSA-N
-DE58DF022D9A9D69_02CE00F052C3D000_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,MZHCNGWDHDTOJX-UHFFFAOYSA-N
-DECA620504C9F41E_C002B9C6CD061F0F_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC4=C(CC3=C(C=CC=C3)O4)C#N,COYVKMYDGJAKMU-UHFFFAOYSA-N
-E091CA94768E0FB1_872246C0ED073E9C_6038_UN,N(C1=C(C(=CC(=C1)F)Cl)F)C(C2=N[NH]C(=C2)CCCCC)=O,ZCAOUPRBCHTIBO-UHFFFAOYSA-N
-E0A79D7605D7C342_FA743B25A7A51E45_6029_UN,OC1(CCN(CCC1)[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C5=CC=CC=C5,ZEJGHWJUVBXSSP-UHFFFAOYSA-N
-E145A8D87CD87432_FD0D16C0F3C0CF17_6029_DP,N1CCC(CC1)C2CN(C2)[S](C4=CC=C(OC3=C(C=C(CO)C=C3)F)C=C4)(=O)=O,LLHBMQUSWXIVIR-UHFFFAOYSA-N
-E35B47C13BAEAFF0_F0586BCE3E7EB31F_6028_UN,C[C@@]1([C@@H](C1)C2=CC=CC=C2)N[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,VATZTASSZNJWDE-RBUKOAKNSA-N
-E42FCBABD626DB26_FA71C50902F5D99E_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,RLHQMGWLXJGWCL-UHFFFAOYSA-N
-E434645B667CECE9_24D78F6A0849A23F_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)OC3=NC=CC=C3,YDIFGRYOFZUSKC-UHFFFAOYSA-N
-E462E838D0F3008F_0365E4D9FA620BF7_6026_UN,CC1=CC(=C(C)O1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,CKLFVKBHSCUFAK-UHFFFAOYSA-N
-E595C28EA5CF0FA4_545F734000E774E7_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,HWBFTSIVPHGEEO-UHFFFAOYSA-N
-E5AD0B69C365334D_6A96274A90D2E7B1_6026_UN,CCOC1=C(C=CC=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,RPQQHULACCDOQH-UHFFFAOYSA-N
-E7B7B23B6290A524_01C18B3496EA646F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(O)CCC4,BEQWCUJYMATBLJ-UHFFFAOYSA-N
-E7E3FD4635B4FC33_DDC258A113066279_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CCCC4,BTMXINXKNJKGSN-UHFFFAOYSA-N
-E8551D6F06DF537E_1CF0BAE0B6B34F63_6029_UN,CC(N(O)[S](C1=CC=C(C=C1)C3CN2CCSC2=N3)(=O)=O)C4=CC=C(C=C4)C,ZYXMJDMDJQYRLH-UHFFFAOYSA-N
-E89156B1313EF9C2_533A5EE979C64522_6041_UN,CC1=NC4=C(C(=N1)NC(C)C2COC3=C2C=CC=C3)C=N[N]4C,UHZXOCVTJRMQMJ-UHFFFAOYSA-N
-EA2A988A54F664B1_0CE1A100C3E1B6CD_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4)F,DXTGZSMZEJRFSV-UHFFFAOYSA-N
-ECCAA1B05322E734_2E2A867DE7DFA849_7017_UN,N3([S](=O)(=O)C2=C1C=CC=CC1=C(C=C2)Cl)CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5,XSQRYZYBTREIBE-UHFFFAOYSA-N
-ED4A2FF2A3B4E9C6_534B7316DBD39D56_6029_UN,C(OC1=CC=CC=C1)C2CCN(CC2)[S](C4=CC3=C(N=C(CO)S3)C=C4)(=O)=O,PSTIYABVCIBAKU-UHFFFAOYSA-N
-EDC5026FA8320918_EC6968EE2A397F8B_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,SQGZLELVAGFQJA-UHFFFAOYSA-N
-EDDB93711598EE52_BA56DC75F855E146_6027_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,SGXDDXKXTADKIH-UHFFFAOYSA-N
-EE4F66A3F2B8A73F_E354128ACF257647_6041_UN,CC(C)C1=NC(=NC(=C1)N[C@@H]2C3=C(OCC2)C=CC=C3)C,DZHFVNJIHZIBGW-AWEZNQCLSA-N
-EF29A76D24B3A7D6_756C7E0AE4C43267_6041_UN,CC(C)C1=NC(=CC(=N1)NC2CCSC3=C2C=CC=C3F)C(C)(C)C,NWPGHFBSWMQVQZ-UHFFFAOYSA-N
-F04BC568682FD1C2_8C5FEA8BA5B7A485_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)NCC2=C(C=C(C)C=C2)OC3CCCC3,VBQNTAGHSHVVOK-UHFFFAOYSA-N
-F151ECA71A676FB9_EF7EB3D209527605_7005_UN,[NH]3C2=C(C1=NSN=C1C=C2)N=C3C4=CC=CC5=C4C=C[N]5C(C)C,SXQZVWILTMATTF-UHFFFAOYSA-N
-F1E310BEEA8B4126_F6C431E8BA596A64_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,KQOAYCVCNRQHKB-UHFFFAOYSA-N
-F2617024267F9606_287C886DA0F3F4AE_6028_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,SKVPFKJPXZUCMF-UHFFFAOYSA-N
-F29C0C331A2D4D90_F4014AED4B73BD82_2201_UN,CC(C)C3CCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,BUTAJMDOMVVDQZ-UHFFFAOYSA-N
-F3ACF845D908976E_8B5DE98BA94DBDBF_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=CN=CC(=C4C)C(F)F)(=O)=O,GMCBIYJJJSZLTN-UHFFFAOYSA-N
-F45B058DB5D880F9_C042D3A833533B8C_6041_UN,C1(=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3)NC4=C(C=CC(=C4)F)C5=NNC(=O)N5,UKBZMQYHHNJOHP-UHFFFAOYSA-N
-F4C2AC662124DE3B_84050E86F31E063B_6038_DP,N1CC(C1)C(NC([C@H]2N(C)C(CC2)=O)=O)C3=CC=C(C=C3)F,BOSUPIDSCQUPMC-CFMCSPIPSA-N
-F50334DEDD268E26_A714CBEAD82A3E85_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,ORVXIEVIMCRNHY-OLGRIWOZSA-N
-F50334DEDD268E26_CD4A7950F36FEDAB_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,ORVXIEVIMCRNHY-OLGRIWOZSA-N
-F6972E131A6DE480_38A3BAF76C0EE2C9_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C3=CN=CC=C3,RSGKOUAWEUSAPA-UHFFFAOYSA-N
-F6A49E3A0E65E8C5_828890905ACEC710_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C(C)[N]2N=NN=C2C(C)(C)C)=O,SXLJESYCQBFDTG-UHFFFAOYSA-N
-F72C3118BA5F16D7_E123D968B5C025C0_6029_DP,N1CC(C1)C(N[S](C2=C(C=CC=C2)C3CC3)(=O)=O)C4=CC=C(C=C4)F,WMPISCKWIWVJMB-UHFFFAOYSA-N
-F787F189296E13A3_1444489BFAEC88D5_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C(C)[N]2N=NN=C2C(C)(C)C)=O,SZGZRPATKZDIRK-UHFFFAOYSA-N
-F838A5D0CD2A82FF_00EA0C4CB3FEA229_6041_UN,C[S](=O)(=O)C1=N[NH]C(=N1)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,FPAIZUBBRLOJAR-ZCDKKFEDSA-N
-FA1AF41CC7261919_70A00E02F9986BC0_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C4=NN=C(C3=CC=CC(=C3)C)[N]4C5=CC=CC=C5)(=O)=O,ZUXQPULLTREEKZ-UHFFFAOYSA-N
-FA87BA9632383D32_DEF8BCC11013C80B_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CN=C(C)C=C3)(=O)=O,LVTJENCBLAIPFS-UHFFFAOYSA-N
-FAF5AD1EAF25CE2F_79299733E1B39AB9_6029_UN,C(N1CCN(CC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NC5=C(C=C4)C=CC=C5,ZGQPZSKJUDCYBC-UHFFFAOYSA-N
-FB3F0EC0EAAE53AD_043AB79D05B76900_6029_UN,CC1CN(CCN1[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CC=NC=C4,PHHQWYUOHUZUHS-UHFFFAOYSA-N
-FB48358773F1F049_5B19802116F81CE1_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCCC3=C(C)C=CC=N3,WFAQFCRETAYSHE-UHFFFAOYSA-N
-FB9D7E42CFED95D8_B5768F24047E0C95_6029_UN,C2CN(CC1=C(C=CC=C1)C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,DHSVZTZZXFCASH-ZDUSSCGKSA-N
-FC62C55C1C47B708_5AFC2ECE3EEDC717_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C(C4=CC=CC=C4)C5=CC=CC=C5,SYWRWZKKNGJZHL-UHFFFAOYSA-N
-FCDD48657895FF7B_1380D456C5FBFA46_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCCCC3=CC(=NC=C3)OC,LQEVSCFXTLEZKM-UHFFFAOYSA-N
-FD781D101735D806_A7578C6F2F08E0D0_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=CC=NC=C4,VLASNKNUBBSTDR-UHFFFAOYSA-N
-FF2DBC47BBB8BC0F_2614917974DBA91A_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,BOSPALPLDZRQOQ-UHFFFAOYSA-N
-FF48C62826BAF191_785A3CD0BC02081F_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=NC=C(OCCF)C=C2)(=O)=O,KUAJIACQAZKYKG-UHFFFAOYSA-N
-FF54AF90FA5881A5_D1F931B39EC4F17F_6029_UN,CC1CC(CN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=CSC=C3,UKNAAZRURJYTSS-UHFFFAOYSA-N
-rxn:2:100546:87087,CCC(NCc1c2c(c[nH]c1=O)COCC2)c1cnc(N2CCN(C(C)C)CC2)cc1C,UZVYTQYZADKXES-UHFFFAOYSA-N
-rxn:2:101315:101423,CCCN(CC)c1cc2c(cc1NC(c1ccccc1C)C(CC)S(C)(=O)=O)OCCO2,HXLMFCPMPNWOSF-UHFFFAOYSA-N
-rxn:2:101341:101788,CCc1cc(NC(C)c2c(C)nc(N3CCN(CC)CC3)nc2C)ccc1N1CCOCC1,QDKOIEKCOVWTRF-UHFFFAOYSA-N
-rxn:2:101341:130197,CCc1cc(NC(CC)c2ccc(N3CCN(C)CC3)nc2C)ccc1N1CCOCC1,BYDLTLILXWVEOG-UHFFFAOYSA-N
-rxn:2:103758:73038,CCC(Nc1ccc(N(C)C)nc1OC(C)C)c1cnc(N2CCN(CC)CC2)cc1C,IPTTUYQTAPACSK-UHFFFAOYSA-N
-rxn:2:109822:79723,CCC(Nc1ccc2c(c1)CCN2CCOC)c1ccc(N2CCN(CC)CC2)nc1C,KHAGFPABLPLMOQ-UHFFFAOYSA-N
-rxn:2:110942:73038,CCC(Nc1c2c(nc3c1CCCO3)CCC2)c1cnc(N2CCN(CC)CC2)cc1C,AEQUWLALIHFCAA-UHFFFAOYSA-N
-rxn:2:111942:87087,CCCS(=O)(=O)n1cc(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)cn1,AMJGFWMFZGAKTN-UHFFFAOYSA-N
-rxn:2:112123:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ncc(S(=O)(=O)CC)c(C3CC3)n2)CC1,JCPKJXFEXOMNKX-UHFFFAOYSA-N
-rxn:2:112123:79130,CCS(=O)(=O)c1cnc(NC2CCN(c3cncc(OCC(C)C)c3)CC2)nc1C1CC1,UUSDPNIVLGPWIS-UHFFFAOYSA-N
-rxn:2:112123:86695,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1ccc(N2CCN(CC)CC2)nc1,XBKYJEQIXRWBKZ-UHFFFAOYSA-N
-rxn:2:112185:130197,CCCOc1cc(C)c(N(C)C)cc1NC(CC)c1ccc(N2CCN(C)CC2)nc1C,NFOZJGBEKFHPHV-UHFFFAOYSA-N
-rxn:2:112185:79130,CCCOc1cc(C)c(N(C)C)cc1NC1CCN(c2cncc(OCC(C)C)c2)CC1,IFLAFSFKPIAFHR-UHFFFAOYSA-N
-rxn:2:112434:87087,CCCn1c(C)cc(=O)c(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)c1C,PWHJTQAXHIZTKC-UHFFFAOYSA-N
-rxn:2:114855:156456,CCCC(Nc1cc(C)c(C2CCCN2CCC)cn1)c1cccc(S(=O)(=O)C(C)C)c1,YYWQGMNGGRVPCI-UHFFFAOYSA-N
-rxn:2:114855:73773,CCCN1CCCC1c1cnc(NC(c2ccc3c(c2OC)COCO3)C(C)C)cc1C,WFYFIQZSBYUEFN-UHFFFAOYSA-N
-rxn:2:116121:147317,CCN1CCN(c2cc(C)c(CNC(C)c3cc(C)ccc3S(=O)(=O)C(C)C)cn2)CC1,KJVNDTSFVBENNV-UHFFFAOYSA-N
-rxn:2:117893:133082,CCSc1ccc(C(CC)NC(CC)c2cnc(N3CCN(C)CC3)cc2C)c(OC)c1,MCEMVEXDDFBEHO-UHFFFAOYSA-N
-rxn:2:117893:146272,CCC(NC1CCc2cc(-c3ccc4c(c3)OCCCO4)ccc21)c1cnc(N2CCN(C)CC2)cc1C,NSNVJXMKDNQJOE-UHFFFAOYSA-N
-rxn:2:119028:149760,CCCN1CCN(c2ccc(CNC(CC)c3cc(C)ccc3S(=O)(=O)CC)nn2)CC1,VSJJWJIMXUJJCM-UHFFFAOYSA-N
-rxn:2:121800:125863,CCN1CCN(c2ncc(C(C)Nc3cc(N(C)C)ccc3S(=O)(=O)CC)c(C)n2)CC1,ACGWOTUEVQBWNN-UHFFFAOYSA-N
-rxn:2:121834:155390,CCCN1CCN(c2ccc(C(C)NC3CCc4c(-c5ccc6c(c5)OC(F)(F)O6)cccc43)cc2)CC1,SILVVFFBNXZCLV-UHFFFAOYSA-N
-rxn:2:121834:165176,CCCN1CCN(c2ccc(C(C)NC3CCCc4ccc(S(=O)(=O)F)cc43)cc2)CC1,YZDSMLCPOABMBH-UHFFFAOYSA-N
-rxn:2:121988:94440,CCC(Nc1c(OC(C)C)cc(C)c(N(C)C)c1C)c1ccc(N2CCN(C)CC2)nc1,GERIJYLSBQLMQK-UHFFFAOYSA-N
-rxn:2:124835:79130,CCCCn1cccc(C(C)(C)NC2CCN(c3cncc(OCC(C)C)c3)CC2)c1=O,HIGXDKVOGKFJPL-UHFFFAOYSA-N
-rxn:2:125422:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cnn3c2S(=O)(=O)CCC3)CC1,DLKABNAUFDXATK-UHFFFAOYSA-N
-rxn:2:125422:87087,CCC(Nc1cnn2c1S(=O)(=O)CCC2)c1cnc(N2CCN(C(C)C)CC2)cc1C,SHVDJIUFMFVANP-UHFFFAOYSA-N
-rxn:2:127658:101788,CCc1cc(NC(C)c2c(C)nc(N3CCN(CC)CC3)nc2C)c(OC)cc1N(C)C,GNSVIRAKJBXATF-UHFFFAOYSA-N
-rxn:2:133117:86695,CCC(NC(C)c1c(C)cc(=O)n2c1N(C)CC2)c1ccc(N2CCN(CC)CC2)nc1,GVIDYCHZKWGOGK-UHFFFAOYSA-N
-rxn:2:135037:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2ccc(N3CCN(C)CC3)nc2C)c1C,KVSKGJOSNAODFG-UHFFFAOYSA-N
-rxn:2:139574:79130,CC(C)COc1cncc(N2CCC(Nc3c(CN(C)C)c(=O)n(C)c(=O)n3C)CC2)c1,FFEOVEXPZCJEGY-UHFFFAOYSA-N
-rxn:2:141441:87087,CCC(Nc1nc2c(c(=O)[nH]1)CN(CC)CC2)c1cnc(N2CCN(C(C)C)CC2)cc1C,MNDVNKVJYPITPV-UHFFFAOYSA-N
-rxn:2:141563:73038,CCCn1c(=O)cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)n(CC)c1=O,YAFOEXHIRMSEQT-UHFFFAOYSA-N
-rxn:2:143247:105574,Cc1cc(NC2CCc3nc(N4CCN(C)CC4)ncc32)c(S(C)(=O)=O)c(=O)n1C(C)C,DNTOOYBOICRKCV-UHFFFAOYSA-N
-rxn:2:144915:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cn(-c3ccc(OC)cc3C)nc2C(C)C)CC1,PMVRRBBEPYKFGT-UHFFFAOYSA-N
-rxn:2:144991:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(COC(C)(C)CC)c4ncccc34)c(C)n2)CC1,RWVAYEQJJPHYER-UHFFFAOYSA-N
-rxn:2:146430:79130,CCCn1c(=O)n(CCC)c2cc(NC3CCN(c4cncc(OCC(C)C)c4)CC3)c(C)cc21,ZDCXEYSBSFWQED-UHFFFAOYSA-N
-rxn:2:146430:91208,CCCn1c(=O)n(CCC)c2cc(NC(C)c3c(C)nc(N4CCN(C)CC4)nc3C)c(C)cc21,ZYLRSCDQGDUEOU-UHFFFAOYSA-N
-rxn:2:147005:165431,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC1CCCc2nc(N3CCN(CC)CC3)nc(C)c21,ADYGJOHULXFWGB-UHFFFAOYSA-N
-rxn:2:147005:169450,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC1CCC(n2cc(-c3ccccc3C(C)CC)cn2)CC1,BHBABHKZHGNDCA-UHFFFAOYSA-N
-rxn:2:147005:79130,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC1CCN(c2cncc(OCC(C)C)c2)CC1,RXEJTEPQHBFZPT-UHFFFAOYSA-N
-rxn:2:147285:73038,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)ccc21,RAVFCCIVIOIAPS-UHFFFAOYSA-N
-rxn:2:147297:112373,COc1cc(N2CCC(NCc3cc(S(C)(=O)=O)c(=O)[nH]c3C(C)C)CC2)cnc1OC,YDZBTQPROVDJHH-UHFFFAOYSA-N
-rxn:2:148377:101788,CCCc1cnc2c(c1NC(C)c1c(C)nc(N3CCN(CC)CC3)nc1C)c(=O)n(C)c(=O)n2C,WCVLLJNXZFBOMT-UHFFFAOYSA-N
-rxn:2:151254:79723,CCC(Nc1c2c(nc3ccc(C(C)(C)C)cc13)CCC2)c1ccc(N2CCN(CC)CC2)nc1C,YZCXRIUXAJRPMR-UHFFFAOYSA-N
-rxn:2:156169:134221,CCc1[nH]c(=O)c(S(C)(=O)=O)cc1CNC(CC)c1cnc(N2CCN(C)CC2)cc1C,WFJIHIAKIMHMNA-UHFFFAOYSA-N
-rxn:2:156822:91208,CCn1cc(NC(C)c2c(C)nc(N3CCN(C)CC3)nc2C)cc(S(=O)(=O)CC)c1=O,HZDYOMIHKZVEOL-UHFFFAOYSA-N
-rxn:2:157678:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ccn(C3CC3)c(=O)c2S(C)(=O)=O)CC1,DPJMTLMDJCPAPQ-UHFFFAOYSA-N
-rxn:2:161571:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3ccn(C4CC4)c(=O)c3S(=O)(=O)CC)CC2)c1,LLDGOUYZQFEKON-UHFFFAOYSA-N
-rxn:2:161571:73038,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1cnc(N2CCN(CC)CC2)cc1C,XVQMDHVWAUVFHM-UHFFFAOYSA-N
-rxn:2:161828:94440,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(C(C)C)c1)c1ccc(N2CCN(C)CC2)nc1,JALAJZHYZCFDQV-UHFFFAOYSA-N
-rxn:2:163942:165431,CCC(C)Cn1c(=O)oc2cc(NC3CCCc4nc(N5CCN(CC)CC5)nc(C)c43)ccc21,AQROKGLKJYSFHE-UHFFFAOYSA-N
-rxn:2:165471:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc4oc(=O)n(CCC(C)(C)C)c4c3)c(C)n2)CC1,WAADOOUQLHKTTQ-UHFFFAOYSA-N
-rxn:2:165756:79130,CC(C)COc1cncc(N2CCC(Nc3cc(S(C)(=O)=O)c(=O)n(C(C)C)c3)CC2)c1,AQACEFBALZNKBB-UHFFFAOYSA-N
-rxn:2:169915:122403,COc1ccc(OC)c2c1CCC(Nc1c(S(=O)(=O)OC)c(=O)n(C)c(=O)n1C)C2(C)C,UHIUIYWCLCLONS-UHFFFAOYSA-N
-rxn:2:169915:79130,COS(=O)(=O)c1c(NC2CCN(c3cncc(OCC(C)C)c3)CC2)n(C)c(=O)n(C)c1=O,DSJCRZRYBKZTLK-UHFFFAOYSA-N
-rxn:2:172983:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(C(C)C)nc3ccc(C(C)(C)C)cc23)CC1,BRJBGMAHOYFTRL-UHFFFAOYSA-N
-rxn:2:66407:97777,CCOc1cc(C)c(C(CC)NC(CC)c2ccc(N3CCN(C)CC3)nc2C)c(C)c1,MSONWNPYNVJQHZ-UHFFFAOYSA-N
-rxn:2:67662:79723,CCC(Nc1ccc(N2CCSCC2)c(C)c1)c1ccc(N2CCN(CC)CC2)nc1C,IWEJQKSGELUOAJ-UHFFFAOYSA-N
-rxn:2:68590:73038,CCc1[nH]c(=O)c(CNC(CC)c2cnc(N3CCN(CC)CC3)cc2C)c2c1CCC2,IDVXXRRVBLOBED-UHFFFAOYSA-N
-rxn:2:71607:152118,CCC(C)N1CCN(c2ccc(CNC3CCCS(=O)(=O)c4ccc(C)cc43)cc2)CC1,RRMJQLTUHIUTPZ-UHFFFAOYSA-N
-rxn:2:71607:98226,CCC(C)N1CCN(c2ccc(CNC3CCC(F)(F)c4cc(OC)ccc43)cc2)CC1,UTOCLDYLIMRSSJ-UHFFFAOYSA-N
-rxn:2:71607:99737,CCC(C)N1CCN(c2ccc(CNC(C)c3cc(C(C)(F)F)cc(C(C)(F)F)c3)cc2)CC1,IBSMALVXBWAFOF-UHFFFAOYSA-N
-rxn:2:72488:73773,CCC(NC(c1ccc2c(c1OC)COCO2)C(C)C)c1ccc(N2CCOCC2)nc1,KRFABYYPUKYEJF-UHFFFAOYSA-N
-rxn:2:72876:91208,Cc1nc(N2CCN(C)CC2)nc(C)c1C(C)NC(C)(C)c1ccc(C(C)C)n(C)c1=O,QXUFWVRZGHCEJO-UHFFFAOYSA-N
-rxn:2:72878:156456,CCCC(NCc1ccc(N2CCCN(C)CC2)nc1)c1cccc(S(=O)(=O)C(C)C)c1,KJUQCPRMYWGQSE-UHFFFAOYSA-N
-rxn:2:74419:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NC2(c3ccc(N4CCOCC4)nc3)CC2)c1C,XSTHMVZLMPNGEY-UHFFFAOYSA-N
-rxn:2:74419:156456,CCCC(NC1(c2ccc(N3CCOCC3)nc2)CC1)c1cccc(S(=O)(=O)C(C)C)c1,GBDVFBWPLOSBRS-UHFFFAOYSA-N
-rxn:2:75193:79130,CCCc1nc(CC)c(C(C)(C)NC2CCN(c3cncc(OCC(C)C)c3)CC2)s1,MZDMKQSXEKTVFC-UHFFFAOYSA-N
-rxn:2:78539:105574,CC(C)c1ccc(C(C)(C)NC2CCc3nc(N4CCN(C)CC4)ncc32)c(=O)n1C(C)C,JKNNUYSPMZTSJV-UHFFFAOYSA-N
-rxn:2:78539:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC(C)(C)c2ccc(C(C)C)n(C(C)C)c2=O)CC1,PLCFMONRNZEGLY-UHFFFAOYSA-N
-rxn:2:79686:87087,CCC(Nc1c(C(C)C)c(=O)[nH]c(=O)n1C)c1cnc(N2CCN(C(C)C)CC2)cc1C,NDIPYSVKZMAJSL-UHFFFAOYSA-N
-rxn:2:81760:134221,CCC(Nc1cnn(C(C)C)c(=O)c1OC(C)C)c1cnc(N2CCN(C)CC2)cc1C,DMJPUCOGLUQUPK-UHFFFAOYSA-N
-rxn:2:81760:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cnn(C(C)C)c(=O)c2OC(C)C)CC1,PWSSZCYRWHPZJI-UHFFFAOYSA-N
-rxn:2:82760:122014,CCCOc1cc(C)c(C(C)NCc2c(CC)cc(=O)n3c2N(C)CCC3)cc1C(C)C,CGLAFGGLLGTLSV-UHFFFAOYSA-N
-rxn:2:82760:156456,CCCC(NCc1c(CC)cc(=O)n2c1N(C)CCC2)c1cccc(S(=O)(=O)C(C)C)c1,WONQWGIZEHOHAF-UHFFFAOYSA-N
-rxn:2:82760:169450,CCc1cc(=O)n2c(c1CNC1CCC(n3cc(-c4ccccc4C(C)CC)cn3)CC1)N(C)CCC2,FWMBXJJFRXZTPF-UHFFFAOYSA-N
-rxn:2:85088:105574,CCN(CC)c1ccc(S(C)(=O)=O)c(NC2CCc3nc(N4CCN(C)CC4)ncc32)c1,GSJDJJRBZYTLCX-UHFFFAOYSA-N
-rxn:2:85088:112373,CCN(CC)c1ccc(S(C)(=O)=O)c(NC2CCN(c3cnc(OC)c(OC)c3)CC2)c1,HFWZDHQOYQZVHZ-UHFFFAOYSA-N
-rxn:2:85088:122403,CCN(CC)c1ccc(S(C)(=O)=O)c(NC2CCc3c(OC)ccc(OC)c3C2(C)C)c1,RUPPEDKCONFKNK-UHFFFAOYSA-N
-rxn:2:85088:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3cc(N(CC)CC)ccc3S(C)(=O)=O)CC2)c1,DUJUIRVMHPXICH-UHFFFAOYSA-N
-rxn:2:85088:68336,CCN(CC)c1ccc(S(C)(=O)=O)c(NC2CCN(c3cncc(OC(C)C)c3)CC2)c1,CGEGPOOLIFCBAF-UHFFFAOYSA-N
-rxn:2:85088:73773,CCN(CC)c1ccc(S(C)(=O)=O)c(NC(c2ccc3c(c2OC)COCO3)C(C)C)c1,FFLVDQRAJYKDII-UHFFFAOYSA-N
-rxn:2:85088:94440,CCC(Nc1cc(N(CC)CC)ccc1S(C)(=O)=O)c1ccc(N2CCN(C)CC2)nc1,TUOGQSXNWZFLAQ-UHFFFAOYSA-N
-rxn:2:86121:101788,CCCn1cc(NC(C)c2c(C)nc(N3CCN(CC)CC3)nc2C)c(C(C)C)cc1=O,NCABZOPBORRKJB-UHFFFAOYSA-N
-rxn:2:86121:73038,CCCn1cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)c(C(C)C)cc1=O,MBPIIXMVLOEGLN-UHFFFAOYSA-N
-rxn:2:87145:101788,CCN1CCN(c2nc(C)c(C(C)NC(C)c3cc4c(n(C)c3=O)CCC4)c(C)n2)CC1,DINLYQLYFRWBAJ-UHFFFAOYSA-N
-rxn:2:87210:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2ccc(N3CCCN(C)CC3)cc2)c1C,DYUSFBZUCYSSME-UHFFFAOYSA-N
-rxn:2:87522:73038,CCC(Nc1ccc(N(C)C)cc1OC1CC1)c1cnc(N2CCN(CC)CC2)cc1C,UQTSEUONOIBANU-UHFFFAOYSA-N
-rxn:2:87711:149730,CCN1CCN(c2ncc(CNC(C)c3ccc(-c4cccc(CN(C)C)c4)c4c3OCO4)cc2C)CC1,YVPOZXVESSBUIT-UHFFFAOYSA-N
-rxn:2:87711:73773,CCN1CCN(c2ncc(CNC(c3ccc4c(c3OC)COCO4)C(C)C)cc2C)CC1,LSNOFCCGHUJDQH-UHFFFAOYSA-N
-rxn:2:90756:79130,COc1cc(NC2CCN(c3cncc(OCC(C)C)c3)CC2)ncc1S(=O)(=O)C1CC1,MRRUYBRGPZFJJQ-UHFFFAOYSA-N
-rxn:2:90756:86695,CCC(Nc1cc(OC)c(S(=O)(=O)C2CC2)cn1)c1ccc(N2CCN(CC)CC2)nc1,KAGBQZAVRJPRCC-UHFFFAOYSA-N
-rxn:2:90756:91208,COc1cc(NC(C)c2c(C)nc(N3CCN(C)CC3)nc2C)ncc1S(=O)(=O)C1CC1,NCJCBKFYJAWTPZ-UHFFFAOYSA-N
-rxn:2:94667:152118,CCN1CCN(c2cc(C)c(C(C)NC3CCCS(=O)(=O)c4ccc(C)cc43)cn2)CC1,CFCATUJTDTUUPA-UHFFFAOYSA-N
-rxn:2:94667:79989,CCN1CCN(c2cc(C)c(C(C)NC(C)Oc3ccc4c(c3)CCCC4=O)cn2)CC1,NMZDRRVKKGGKLC-UHFFFAOYSA-N
-rxn:2:94758:165176,Cc1cc(CNC2CCCc3ccc(S(=O)(=O)F)cc32)cnc1N1CCN(C(C)C)CC1,XHMIDIBMHAVQOY-UHFFFAOYSA-N
-rxn:2:95447:86695,CCc1c2c(nc(OC)c1CNC(CC)c1ccc(N3CCN(CC)CC3)nc1)CCC2,DGPOZDSUCNNMGK-UHFFFAOYSA-N
-rxn:2:97355:117468,CCC(Nc1c(N(C)C)cc(C)n(CC)c1=O)c1ccc(N2CCN(C(C)C)CC2)nc1,OBHOKNQWTZPHDV-UHFFFAOYSA-N
-rxn:2:98063:73773,CCCN(C)c1cc2c(cc1NC(c1ccc3c(c1OC)COCO3)C(C)C)OCCO2,YOOHXUNZPVJLLK-UHFFFAOYSA-N
-001AD9FC44BDFD0E_F1F983530ABB1DC6_6038_UN,CC[C@H](NC(C2(C1CCC(C)CC1)CC2)=O)C(=O)OC,XEOMIXKBHKQTSI-BPCQOVAHSA-N
-0262E4E0D4DB5280_4E2D3383AF95CB7C_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,CBJYOELQZIBSLT-UHFFFAOYSA-N
-02865308D3AE5BDD_56C41C03D4D68C40_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,CTOWKAJERFKTIC-UHFFFAOYSA-N
-02AA62F467216C29_AF56F6ACF17E9505_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4)Br,MFXBXKPBBBMBJR-UHFFFAOYSA-N
-02D2A747DC399FBE_EFA08172B487666E_6041_UN,CC1=C(C(=NC=C1)NC2C3=C(OC2)C=CC(=C3)F)[S](=O)O,ZRTTXFGRQOVNFA-UHFFFAOYSA-N
-0425580221C22423_AC6F5DA6464ABD95_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,WSJOTBOERKHGIG-UHFFFAOYSA-N
-04631EB5B21FFFE1_3032D1D883FFECCE_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=CC(=C2)OCC)F,NMZYZNKISLWUGU-UHFFFAOYSA-N
-0507C67558892B95_1A9130482408BF29_6038_UN,C[Si](C)(C)C#CCCNC(=O)C1CN(C1)C2=NC=C(C=N2)F,IPRJASMCDXQBQO-UHFFFAOYSA-N
-057C09DD4C79EE44_5CE74FF4462A3862_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC3=C2N=CC(=C3Cl)C#N)(=O)=O)C4=NN=CC=C4,FEWUPAOLGAPDIN-UHFFFAOYSA-N
-061ABB347C066B8E_F1DA482DB0D3844B_7019_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C=CC3=C(C)NC2=NC=N[N]2C3C,VRZCAEQYRJUUDV-UHFFFAOYSA-N
-06C15E697EEF49FA_FD3BAEDF68D55C55_6038_DP,COC(=O)[C@H]1C[C@H](CC1)NC(C23CC(C(O)=O)(C2)C3)=O,JHOGPXISHWZNOA-CYGFXYRSSA-N
-077ACFE61B22F5F2_2C73001C019F9077_6038_DP,CCC(C)C(OC([C@H]1[C@@H](CNC1)C2CC2)=O)C(=O)OC,BWCCCBXEDDDXOV-QYIFAOSHSA-N
-07EFE63D1525038C_7C88A074C526751C_6038_DP,CC[C@H](NC([C@@H]1C[C@@H](CN1)F)=O)C(=O)OC2CCCCC2,UCPXPQIFFQAEFV-DRZSPHRISA-N
-08A1D6266F55F65A_1E2DBD73ABE8F700_6034_UN,O=C3N(C1=C(CC(CC1)C2=CC=CC=C2)C=C3C#N)CC4CSCC(N4)C5=CC=CC=C5,FGEVOLGSQZQLJY-UHFFFAOYSA-N
-091DA065E0B23AE6_51033CCC542F16D5_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C=C(C(=C3)F)F)(=O)=O,FGXCVSZURGUQMA-UHFFFAOYSA-N
-0961A0F4ABFAA747_7D03436D5345AFBC_6035_UN,O(CC12CCC(CC1)(C#C)CC2)C3=C(ON=C3C(OC)=O)C(=O)OC,WFXYARKJBCWJFR-UHFFFAOYSA-N
-09859A54EFF49889_A1BD82DA0A926CAC_6028_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=NC=CC(=C4)C)(=O)=O,OHLHNPHYRIKRFN-UHFFFAOYSA-N
-09A853D1E057C532_DF9BCADD5AEC24EE_6041_UN,CN(C)C1=NC(=NC(=C1)C)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,HWPRAOHYMLJVSS-ZDUSSCGKSA-N
-0AF3C21C6C8AD5F5_D27BF3852E317294_6038_UN,N([C@@H]1C[C@H](C1)CC#N)C(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,TXDPZRGQRTVVGA-MGHWXMFVSA-N
-0B948592B1C4DA4E_B884E69309C0D23B_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,GSORMBHZFUWMHC-UHFFFAOYSA-N
-0BB8489238750A4C_0D89F8C0FEAF9343_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4)F,MLWNILUXPIYJOK-UHFFFAOYSA-N
-0D3CD3449508BEE4_6434011F5C1FAE72_6026_UN,CC1=CSC(=N1)[S](=O)(=O)NCC2=CC=C(C=C2)C#CC3CC3,BDKAGFUNWRSASE-UHFFFAOYSA-N
-0EBB507E6391DBDB_1FA0EB944BDAC15C_6026_DP,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CC=C(CN3CCNCC3)C=C4,BIMCZYPHBMJYJS-UHFFFAOYSA-N
-1083865C627BCCFE_CC8DAA682FC9C99C_6038_DP,CC[C@H](NC([C@@H]1C[C@H]1C2CNC2)=O)C(=O)OC3CCCCC3,UUOAPFIDKHZYHX-ZNMIVQPWSA-N
-10BF8279E5C1C12D_CAAB2337849F540A_6041_UN,C2(=C1NC(NC1=CC=C2)=O)NC3=CC4=C(C=C3)CCC4=O,DQHAIEPSLSVNEK-UHFFFAOYSA-N
-111858B581E592B8_5E70AA3771140DAE_6038_UN,CN2C(=C(COC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)C[N]3N=NN=C23)C,NTHVWBRMOHPNBV-UHFFFAOYSA-N
-11A2863E690BDECF_E3B88F95B3AAFD23_6031_UN,NC(CB(O)O)C(=O)OCC1=NC=C(C(C)(C)C)C=C1,OHWIXRWYZCNSGG-UHFFFAOYSA-N
-12284ED889AB236E_1AC133344DA36A55_6038_UN,N(C1=C(C=C(C=C1)SC#N)F)C(=O)[C@@H]2C[C@@H]2C3=N[NH]C=N3,PYWJWWSXIFASTL-DTWKUNHWSA-N
-124E62CD2E39EE2F_2641EE6B30A01267_6041_UN,CC1=N[N](C(=N1)NC2CC(C)(C)OC3=C2C=CC=C3)C,CGHREEIMJFYERE-UHFFFAOYSA-N
-1258C687BAD8057C_9738ABC440BE6AD1_6038_DP,OC(=O)C1=C(C=CC=C1)CNC(C2=C[N](CCCC)N=N2)=O,HGKDVEGAODDBSE-UHFFFAOYSA-N
-12B7C61BA04BDC96_D4C35D25747227EB_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=C(C=C3)CN4CC[S](CC4)=O,NWCSCIORIYCOTI-UHFFFAOYSA-N
-1412AC6777198A92_9278F1A10806B738_6038_UN,CN2C(=C(COC(C1=C(C=C(N(C)C)C=C1)C)=O)C[N]3N=NN=C23)C,IIOFIFMFRWOMIZ-UHFFFAOYSA-N
-150B29DDA5937BC3_9669810F14D43189_6034_UN,C[N]2C=C1C(=O)N(C=NC1=N2)C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl,YMEQEGJQMPNVDR-JSGCOSHPSA-N
-1531CBAD12FC4E27_5CAD2FB3CE789E78_6026_UN,CC[N]1C=CC(=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OC3CCC3,JNPZWENEKLMSMC-UHFFFAOYSA-N
-16D65C42EEA8C5BF_186F8A8951B5B169_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(CSC3=N[NH]C(=N3)C)=O,ZJGLGILVZCPBQM-UHFFFAOYSA-N
-1711717C53BC690B_42149A8802F4756C_6026_DP,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)NCC4=CC=C(CN3CCNCC3)C=C4,YMGJWPSOKPKIAP-UHFFFAOYSA-N
-17AF530F964D283B_4CBA36126E293E2B_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C(O)=O)C=CC=N3)=O,ZPJPKAOKPPGCDP-ZDUSSCGKSA-N
-18B06B4C2486328E_A453C15A4588BFB5_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3(C[S](C)(=O)=O)CC3,HXWJSSZVOJEMNS-UHFFFAOYSA-N
-197DDE6097ECEE33_0B3F0F8F0C90AF92_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,ZTVXRRCXYHDKAZ-UHFFFAOYSA-N
-198FC4A4AA518B91_EAEA6524A8A976AF_6029_UN,OC1=C2C(=CC=N1)N(CC2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,HWFTZIAWQDEHIV-UHFFFAOYSA-N
-1A8650022075EA01_E0B570C8A72F1758_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O,YUUILFFUERRSHB-UHFFFAOYSA-N
-1B0783D30DE3DD99_49D40BA85563C6C0_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NCCC(=O)NC(=O)N,GSHCMYKOUGLBCO-UHFFFAOYSA-N
-1B0FA4052616DA55_B03FAB2498E15892_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(N(C)C)C=C(C=C3)C,QHDQGWAMBYGNPF-UHFFFAOYSA-N
-1B7457EBC7C1005D_8F97E3A3053F9C7F_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(Cl)C=C(N=C3)C4CC4)(=O)=O,GBKSUVIYJCLTQX-UHFFFAOYSA-N
-1B9F6C7F742F33F3_F43CF42E21EA394E_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3NC[C@H](C)CC3,CWCTUPKUHVODPJ-PWSUYJOCSA-N
-1BAC6A6894EE0EB9_E1635C60CF643EFD_6034_UN,CCC1=CC(=O)N(C(=N1)C2=CN=C(C=C2)Cl)CC3(CN(C)C)COC3,CHDFIZXUXAFTGA-UHFFFAOYSA-N
-1C2EA4F940446E12_5670523A7D8C26EF_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CC3,PCAPOXMEYKQEPN-UHFFFAOYSA-N
-1C8E74F1508B5BC1_D529919D46F70F92_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCC1CC)=O)C2(C)C,BJISSWRFNNCCII-YIOUJQMASA-N
-1ED5347CA8EE00AE_80727327BCCF58E2_6041_UN,OC(=O)C3=CC1=C(C=CC(=C1)NC(CC2=CSC=N2)C(=O)O)OC3=O,UEOXMPLPDIDYFU-UHFFFAOYSA-N
-1FD885E675E1F068_B178C3087024D9B3_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]4[C@H]3CNC[C@H]3OC4,UIFXXPGPIRSVKK-RAIGVLPGSA-N
-20CFBA5F8A539E3C_1D6A9CC766BB485D_6041_UN,OC(=O)C2=C1OCCC1=CC(=C2)NC3=CC(N(C)N=C3)=O,TWYSJOPVOWOMLP-UHFFFAOYSA-N
-2103E7088FDBB249_C97A6B0C65DB9998_6031_UN,COC[C@@H]1CC[C@@H](N1)C(=O)OCC23CC(CC)(C2)CO3,NUXUXEKTGINXPE-CZWNDGCPSA-N
-228AF5FCE5BC7E57_E9268FECDF106C87_6038_UN,CC(C)[C@@H]1CCC[C@H]1NC(C23CC(C(OC)=O)(C2)C3)=O,CHDIZIXKWCLAQE-YNQUZJHLSA-N
-24D1041DEA848A55_F0979302F0A147DB_6005_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)C3=C(C=C(C=C3)C4CC4)F,HSNITQGIQKMFGK-UHFFFAOYSA-N
-24DEA987DC21C4C6_98CD4318A3271354_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCC)C(=C2)Cl)OC,SDDLTKMFHVHBJY-UHFFFAOYSA-N
-24E42193B0808B2B_39ED2A2083B1CFF2_6038_DP,CCC[C@H](NC([C@H]1[C@@H](CNC1)C2CCOC2)=O)C(=O)N,KVXWLMUOEGYKQP-YATPEIPISA-N
-250488094FF116F7_76E024AC7C648568_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)N[C@H](C(N(OC)C)=O)C,MZRKCKKWXNOJOM-VIFPVBQESA-N
-25670C66B5543F92_97C50C3965CAB88A_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,QEQIJBYDKGWSQA-UHFFFAOYSA-N
-26188BB7CF787997_309B6B5834B26BB2_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)C)Br,SYWUJHPRMMZHEM-UHFFFAOYSA-N
-26B9A3A0475DD50E_83C2773C100E0224_6029_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,IEDDIZILKQAWCV-UHFFFAOYSA-N
-26E7C136BA3953DA_154421D9134B727A_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3F)F)(=O)=O,LGSCXTHXXSNPIS-UHFFFAOYSA-N
-272779A8B22C034C_2CAE982E5F72C8A4_6031_UN,CN1CCN(CC1)C2=NC=CC(=C2)C(=O)OCC3=C(N(C)C)N=CN=C3Cl,XFIRXAANRDAYPE-UHFFFAOYSA-N
-27B3B1BB080C46BE_70B6256A97C5544E_6006_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)C4=C3OC=CC3=CC=C4F,DMYCSQCMCPLOHB-UHFFFAOYSA-N
-27B93BE94EDBD443_87B2C65C7F9638F8_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H](C)C2=CC3=C(C=C2)OCC3,LFNCXQWHLWYQSV-SNVBAGLBSA-N
-27EAF02BDB16F9F1_2E0FC56A9E63E9E0_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3C[C@@H](C)NCC3,OOINZGRNAFBPBD-GHMZBOCLSA-N
-28115A8F028595D1_E6773DE2400573D2_6035_UN,CC1=C(C1COC2=NC=CC3=C2C(=N[NH]3)N)[Si](C)(C)C,AZAJLPZQERDIGO-UHFFFAOYSA-N
-2949C883BE74F34C_166DC575C0A1E91B_6041_DP,CN(C1CCNCC1)C(=O)C2=CN=C(N=C2)NCC3=CC=C([Si](C)(C)C)C=C3,IYGSOMJAXBSLET-UHFFFAOYSA-N
-29D71EBF21D62BF0_92C9EFE6C6941D9C_6038_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,HIXROOWXTBWESO-UHFFFAOYSA-N
-29D79E54416F5B92_8ED3434FF65755BF_6041_UN,C1(=C(N=CN=C1)C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,FEVMTSXDPLUHHU-RYUDHWBXSA-N
-2AE811B66571F0B3_5DBA5F90C92619EB_6026_UN,CC1=NOC2=C1C=C(C=N2)[S](=O)(=O)N5CC(OC4=NC=C(C3CC3)C=C4)CC5,SZBABKFPSHPBCH-UHFFFAOYSA-N
-2B5AF39E73346047_C3641BB5CD0BE5B2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4C)[S](N(C)C)(=O)=O,HWKWUYDBUZQULS-UHFFFAOYSA-N
-2CE8C5BF8AC6E51C_38BF8452C75A97C4_6038_UN,NC(=N)C1=NC=C(C=C1)NC([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,HNQVWMBZLVYBAS-DTWKUNHWSA-N
-2DE6F48B3C5304EB_B51C06D707853E9B_6041_UN,SC2=NN=C(COC1=C(C=CC=C1)NC(C)=C(C#N)C(=O)O)O2,YEACETBEXRPVCZ-UHFFFAOYSA-N
-2E820370BDC21578_21BB57C47F71F6D4_6038_UN,COC(=O)CC[N]1N=C(C)C(=C1C)NC(C2=N[NH]C(=C2)C3=C(C=C(C)C=C3)C)=O,WPURLNSLEYNCAC-UHFFFAOYSA-N
-2FA95B031C3E3A57_8D1F4A01C2E49B0C_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4)Cl,CYZLWHKEWUAQEO-UHFFFAOYSA-N
-3033A953D049919E_61FF902E1163C611_6029_UN,C1CN(CCN1[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O)C4=NN=CC=C4,AYZVYTDUKYJLIG-UHFFFAOYSA-N
-30740B153BF15C9C_C0A6249F6EF72305_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4,MVAUNZRJMVZBHX-UHFFFAOYSA-N
-318D7A748F3C36F8_65FB979E6A365CF3_6026_UN,CC2=N[N](C1CCOCC1)C3=C2C=C(C=N3)[S](=O)(=O)N5CC=C(C4=CN=C(Cl)C=C4)CC5,CCMMZOZWQHWIAX-UHFFFAOYSA-N
-340708C8E5AA2C7A_111FBC96159E82DF_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3C(C)(C)C(C3)=O)=O,DHFOZCCERRTLJU-UHFFFAOYSA-N
-3416D6A6C1A3137E_A35285625361CCEF_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)=O)CC4,VBXDQRVXSNOAFF-UHFFFAOYSA-N
-3418EAB5883B3A71_5D80C3EE7C254260_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)OC)O)OC,CMJWUZNUFGTSLY-UHFFFAOYSA-N
-3526934A7C7C59B5_5324A15CA2718914_6038_UN,COC1=NC=C(C(=C1)OC)COC(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,QUZZXPUZAIHNOK-UHFFFAOYSA-N
-357CD08CF0469D6E_247A31C23AB025D3_6031_UN,CC1=NN=N[N]1CC(=O)OCC2=C(N(C)C)N=CC(=C2)Br,QFYCEMLFRSWUPA-UHFFFAOYSA-N
-35D533A1C4EC4819_D86B16D29CC469E7_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NCC3=CC=C(C=C3)S,KQDVEULGSABJGE-UHFFFAOYSA-N
-3729F7088D1C2D66_98C886F519188110_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CC(CC(C)C1)C)=O)C2(C)C,TZIIIEWRUKTYSC-JDKRLRMNSA-N
-375118441111748D_50A577C8AA9DF133_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,PIHQOADACGPCMS-IBGZPJMESA-N
-3868B51879715C50_B02DAFE441B9AD04_6029_UN,C1CC(=CCN1[S](C2=C[N](N=C2)C3=NC=CC=C3)(=O)=O)C4=NC=CS4,KNAFLLSYIFKAAY-UHFFFAOYSA-N
-3995860B01893E72_9B2B86C4CF561E74_6038_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(C(CCN(C)C)=C)=O,GNHVSNAECYHDGQ-UHFFFAOYSA-N
-3A132C81FFFD58D0_359B4DC93F8C1525_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C(C)OC3=C2C=CC(=C3)F)C4CC4,UGRBTJQCCSZJHO-UHFFFAOYSA-N
-3A1A467A1C08C32F_61A3D2DEC34ACF20_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=CN=C(C=C3)C#C,RFQBEBQRTLYNEF-UHFFFAOYSA-N
-3B211A3173AF91EA_0A71172EF3D388C0_6038_UN,N(CC[N]1N=C(N=C1)C#N)C(C2=CC(=NC(=C2)F)OC)=O,BKTTYWIIAUVFDH-UHFFFAOYSA-N
-3CF8757F7627FB95_22708271363189CA_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C(C2=NOC(=N2)CSC)=O,PCYBXUHYNUYGEX-UHFFFAOYSA-N
-3D053BDF9CE56338_11182AFA9E934841_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=CC=N[N]3C)CC4,SZOXFGZCFMADRE-UHFFFAOYSA-N
-3D605AAC308299EB_D9DDD689A40BBF15_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=NC=C(OC)C=C3,WDJXYXUCGGBXAI-UHFFFAOYSA-N
-3D75C2EE0D58DB6B_FEEFDFE8982C7AF7_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NCC4=CC3=C(OC(C)C3C)C=C4,MTRNHOSKCWLLQT-UHFFFAOYSA-N
-3D8667AD5B30E506_766D47D01C288587_6036_UN,C(C1=N[N](C=C1)C2=C(C=CC=C2F)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,TVAOTYRAERFSML-UHFFFAOYSA-N
-3DC0D133995F51FB_78AB1381469E1CED_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCC2F)C=CC=C3)C4CC4,OGYSNMVKPMGREO-UHFFFAOYSA-N
-3EE715DF5E313F16_D239FFDFED05D6EA_6029_UN,C1CC(CCN1[S](C2=CC3=C(C=C2)OCCCO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,CIQSNXWAHJMWAP-UHFFFAOYSA-N
-3F6EBFE48BFF8DD8_259528576F63D8BC_6038_UN,C[C@H](OC(=O)COC1=NC(=O)NC(=O)N1)CC2=CSC=C2,AUPSVIAUFYUENF-ZETCQYMHSA-N
-3FF925330CC0ECEE_EE1BE1B0FE80ADCB_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OC3)C=C(C=C4)F,ZZRNLUDKMXRPAB-UHFFFAOYSA-N
-4079AB76DA46F49E_D6A285779004E4D8_6038_UN,FC1=C(C=CC(=C1)C#N)SC(C2=NOC(=N2)C3(C)CC3)=O,PKXWGLKJACFXHY-UHFFFAOYSA-N
-42E906E770A67778_6D59C62B9D05F3F0_6038_UN,O(CCCN1C(=O)C=CC1=O)C(C2=CC=C(CN(C)C)[NH]2)=O,RDMXQVOGTZHUPQ-UHFFFAOYSA-N
-4326253BD41C4698_51743FA9FF811542_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C([S](N(C)C)(=O)=O)C=CC=C4,GJOLXTMRYOZNEI-UHFFFAOYSA-N
-43B67793D6BAAA17_629CD41E1628844C_6041_UN,CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)NCC2=C(C(=NNC2=O)CC)CC,VJRIQGSIBIFVMG-UHFFFAOYSA-N
-445A8F8E656F7DD8_B8D5C9519C4063EF_6035_UN,CCOC1=CC=C(C=C1)C(OC2=CC=C(C=C2)O[S](=O)(=O)O)C3CCNCC3,UJDCLWQQOHOHKW-UHFFFAOYSA-N
-446D36CC157EAF08_89BDA68258A42B10_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=NC=C(C(O)=O)C=C3)=O,DVKQBZDETOQCQV-ZDUSSCGKSA-N
-45B7ED36D9B8D143_44B6641E6F0EF129_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC(C)C2=CC3=C(C=C2)OCCC3,JIYGEMHXSKNOKI-UHFFFAOYSA-N
-45FD428BF7437EF2_EB675B93A4CBD087_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCC#C[Si](C)(C)C,HHQGEZRWJNHUTE-UHFFFAOYSA-N
-4632DA25FE6333EC_17852C8D09780C39_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,HYYIQTHELFXNQL-UHFFFAOYSA-N
-46796D8F65E7BDAC_F577D471EB2F139D_6029_UN,C1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,YVUKWPINDMSOND-UHFFFAOYSA-N
-46AA2C92F1E7B34A_CC9E9C94489F8091_6038_UN,ONC(=O)C1=C(C=CC=C1)OC(=O)C2=CC(=CN=C2)N3CCCC3=O,KNSGBTMPQUVALP-UHFFFAOYSA-N
-475B0FB9C19FC5CB_328A25ED00CC49C9_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC[S](OC)(=O)=O,GJSUDUGOWGTXSQ-UHFFFAOYSA-N
-4871CBCEC038040D_2F95DA15A2823CF1_6031_UN,CC1=NN=N[N]1C2=CC(=CC(=C2)F)C(=O)OCC4C(C3=CC=C(OC)C=C3)N(C(CC4)=O)C,KATPJWPIPOFJQY-UHFFFAOYSA-N
-494B20D8D709C287_7C1F0B150A89F2B3_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,LFYFSWRPKOWDDZ-UHFFFAOYSA-N
-4972BBDEAAE0625B_CAE54598AD483001_6038_UN,COC(=O)[C@H]1[C@]2(C1)C[C@H](C2)NC(CC34CC(C(OC)=O)(C3)C4)=O,VYNLQGJTTZKBIL-YSMFOQLRSA-N
-49E8638DF0CF3FE0_0B40C9B3E28B52D0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)N[C@H]4[C@H](C3=CC(=C(C)C=C3)C)C4,VUBJWNJOOPWQLA-RBUKOAKNSA-N
-4A6FE4DCF6464658_3F7E84F03B906FA1_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C[N](C[Si](C)(C)C)N=C2)N3CCOC3=O,PWJWCPQCEVYJBO-UHFFFAOYSA-N
-4A825C46A4C01DBE_57F243579DE709FA_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CCC)CC(=O)O,JKABIJJNTIAUFQ-GFCCVEGCSA-N
-4C5BA6ACD57DA124_5AB2130C44DC53E2_6036_UN,C(C1=C(C=CC(=N1)F)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,ZXYCICAGLXWCKJ-UHFFFAOYSA-N
-4C6596079B11AF42_239A37380ED9B19B_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3C)N4CCN(C(C)=O)C4=O,VMYDHLOCUIMSPN-UHFFFAOYSA-N
-4CB4FC661B9515EC_9F0CE7A85FC6FDEA_6041_DP,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=CC(=C(O)C=C3)C#N,DPNOYDLOELDOQU-UHFFFAOYSA-N
-4D93901684B19B08_11D60B5192E755AA_6039_UN,CC(OCC(C(=C1C=CN(C)C=C1)C#N)=O)C2=NN=N[N]2C,JRYRQKZLVVJUEG-UHFFFAOYSA-N
-4DB2B93908C9F47B_521C4A3C263C02EF_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=NC(=CC(=N3)C)C)CC4,ABTHRCLRVHJNFQ-UHFFFAOYSA-N
-4E43231EAA9A9198_6BA645BED9019A76_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCN3CC[S](CC3)(=O)=O,HNJMGAMXJCIXIL-UHFFFAOYSA-N
-4F837B1AEB79A022_D88B3F0F4F1C046D_6038_UN,COC(=O)C(NC(C1=CC=C(B(O)O)C=C1)=O)C[N]2N=CN=C2,UOQKYVZNAGCYJV-UHFFFAOYSA-N
-4FFCF0FDF77C48B7_3A64B488EB96AA4B_6029_UN,C1CC(CCN1[S](C2=CC3=C(N=C2)SC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,JICWHCLDXCHXRQ-UHFFFAOYSA-N
-5081F72548FE0652_8BCFADFFBA7F95E1_6006_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)C3=C(C)C=CC4=C3C=CC=N4,OWNKRWPKDIKXKB-UHFFFAOYSA-N
-5124442EFD69C092_8FC4379116B9CDC8_6029_UN,C1CC(=CCN1[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=NC=CS4,LTDJUVDRKPAUBZ-UHFFFAOYSA-N
-52D11324933A5583_1FACA9218EECA8BB_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)C,HAISTWPJJGLEPS-UHFFFAOYSA-N
-53DE4E9B2B248715_B9933CED95D99D07_6003_UN,OC(=O)CC(OC2=C(C(OC)=O)C1=C([NH]N=C1)C=C2)(CC(=O)O)C(=O)O,CTTPZHAPZICNQK-UHFFFAOYSA-N
-5585DD244C65704F_973B4F4830F13DA5_6041_UN,CC1=C(C=NC(=C1)NC3C2=CC=CC(=C2OCCC3)OC)[S](=O)(=O)F,XWGIGRDPQLAISW-UHFFFAOYSA-N
-5586EC650E42846B_6D2A3B8A86C28052_6029_UN,CC1CN(CCN1[S](C4=CC2=C(N=C(C)N=C2N3CCC3)S4)(=O)=O)C5=CC(=CC=C5)F,LFODFQVHVYFCIP-UHFFFAOYSA-N
-57AC767C35785323_E388BBF67EB53284_6029_UN,CN5CCC1=C(C4=C([N]1[S](C3=CC=C(C2=C(O)N=CN=C2)C=C3)(=O)=O)C=CC(=C4)Cl)C5,BSIBFHSOIRMBQP-UHFFFAOYSA-N
-5865B6F87360EE73_D9023619ECB17C85_6041_UN,C2(=C1NC(NC1=NC=C2)=O)NC3=CC(=CC=C3)N=[N]#N,MGPMFVCRNCBNNM-UHFFFAOYSA-N
-5935EA42AADE1631_50D27464A0703792_6038_UN,C[N]1C=NN=C1SC2=C(C=CC=C2)NC(C3=NN(C)C(CC3)=O)=O,AZNOTOCRHQSSAW-UHFFFAOYSA-N
-5A1844B082A7588F_6E800035025B8954_6031_UN,NC(CB(O)O)C(=O)OCC1=CN=C(C(C)(C)C)C=C1,LCEAJKITKFHRHM-UHFFFAOYSA-N
-5ADA52211BEC5BCB_9F9559BEECFA4B25_6038_UN,CSCC[C@H](NC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)C2=N[NH]N=N2,CQHNVXWPTHPEGC-LBPRGKRZSA-N
-5B3A2B67B27ED631_11D9220BE690494D_6034_UN,BrC2=C1C(=CN(C1=CC=C2)CC3=CSC(=N3)CN(C)C)CC#N,GXQNZCIAKHZEJA-UHFFFAOYSA-N
-5B8D05D550A619C7_BE8FBE7E85B66D15_6039_UN,CCOC(=O)C2=NOC(COCC1=[N](=O)C=CC=N1)C2,HBRPRBGQSTVGDJ-UHFFFAOYSA-N
-5BEA7E36BE4893B2_C6B0EE5D3DD17643_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4)Br,SONIZAAQLCIGGT-UHFFFAOYSA-N
-5C03BEE3D42633E7_1F9925D907C6731B_6038_UN,COC(=O)C13CC(C1)(CNC([C@@H]2CC=CC[C@H]2C)=O)C3,PFZRRFRUNGPYJM-CPWXYTRJSA-N
-5CFDB434E5CE4A6E_7310321CE69B8A0E_6038_DP,CC[C@H](NC([C@H]1[C@@H](CNC1)C2CC2)=O)C(=O)OC(C)C,QEUUEVMGXSWSHA-XQQFMLRXSA-N
-5E266E47AC7DC78D_083CA2B5AFA92468_6027_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,ZEGRDDDCXWRHSR-UHFFFAOYSA-N
-5E83E6B979493E5B_8A78AF136A2B3401_6029_UN,C1CC(CCN1[S](C2=C(SCC)C=CC=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,RBQKYSMBRUWGJS-UHFFFAOYSA-N
-5EC1C7329387BC49_31CA0AC867B490A4_6029_UN,CC1C4=C(CCN1[S](C3=CN=C(OC2=CC=C(O)C=C2)C=C3)(=O)=O)C(=CC(=C4)Cl)Cl,MHCSUSMEXLVJAD-UHFFFAOYSA-N
-5FF154724E10971E_3851766DB8062D91_6034_UN,ClC2=C1C(=CN(C1=CC=C2)CC3=CSC(=N3)CN(C)C)CC#N,RPXOZLGAAMCAGC-UHFFFAOYSA-N
-604B942780F48664_66073D6079A2DE85_6038_UN,NC(=O)C1=CC(=CN=C1)OC(C2(C)COC(=O)OC2)=O,MYNVEKCJCCDYBW-UHFFFAOYSA-N
-6148780A3CE275AF_EE6F1C38C91142A6_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,MZJACXCQWFRKBA-UHFFFAOYSA-N
-6170034E6B145988_3BBB31ADEBB5D4B2_6038_UN,N(C1=CC(=C(N=C1)F)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,NKCYMIGVFHCLIZ-UHFFFAOYSA-N
-6242767FF464111F_D6E486943BDC1C02_6038_DP,COC(=O)C(CNC([C@H]1C[C@H]2CNC[C@@H]12)=O)CC3CC3,BMTVPVJIDJPDFM-WODVXLOZSA-N
-624A60F7FDD7D01C_665F48DC83BD5959_6041_UN,CN(C)C1=NC4=C(C(=N1)NC3C2=C(C(=C(C)C=C2)C)OC3)C=CC=C4,GCDWXMMZSFRCQE-UHFFFAOYSA-N
-62AFC4E93A82E480_E543F35804A7B950_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3C2=C(C(=C(C)C=C2)C)OC3)C4CC4,CHXOJAQBQDYLJB-UHFFFAOYSA-N
-6498F25114B64696_F127C79D0313CC6F_6038_UN,C[N]1C=NN=C1SC2=C(C=CC=C2)NC(C4C(C3=N[NH]C(=N3)C)C4)=O,CPMBACHMFMKBKX-UHFFFAOYSA-N
-64EF47EEFD84223C_2C04B247330449CC_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NCC3=CN=C(N(C)C)N=C3,YPTVYHCOWYDVTD-UHFFFAOYSA-N
-64F9E252CD7E826B_42F2576EC807CD57_6034_UN,NC(=N)C1=CC2=C(C=C1)N(C=N2)CCN3C=C(C#N)C(=O)NC3=O,DLDJCQSUEWTUEW-UHFFFAOYSA-N
-66B04CC3D1978D9F_D988A108ED00AEBC_6039_UN,OC(=O)CSC1=C(C=CC=C1)OCC(C2=C(C)[N](C(=C2)C)C3=NC=N[NH]3)=O,LLFZYWZNMSGXLY-UHFFFAOYSA-N
-69C2E1B6F4A9587B_0E0AAE1BD929BEAF_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,YPUBLKNTOPAVQX-UHFFFAOYSA-N
-69DD9263CB282250_4D7F8ABD39E28C88_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(CC3=C(C)C=CC=C3)CC4,VQRDTWORZNODJZ-UHFFFAOYSA-N
-6B8CB25078D9BDF6_F8664AC34A5586B0_6038_UN,CC1=C([N](N=N1)C)COC(C3=NN(C2=C(C=C(C)C=C2)C)C(C3)=O)=O,UHYIKJFBOBENKH-UHFFFAOYSA-N
-6B91D34F9DAFBA04_7C206CC19272C1A4_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(CC3=CC(=NO3)C)CC4,SVGAIRWSWSOIQZ-UHFFFAOYSA-N
-6BBFAC018880896B_AC79291C9F96CE12_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=C(C)C=CC(=C2C)[S](=O)(=O)Cl)=O)C=C3,ANLUQNBELASTOE-UHFFFAOYSA-N
-6DFABB3AA0662D29_A9402A716A7D3D54_6035_UN,CC(C)OC(=O)CSCCOC1=C(C(OC)=O)[NH]C=C1,XDYAJOAQSVUATK-UHFFFAOYSA-N
-6E3952AC35DE1D07_7F7E0081552EFBB2_6041_UN,OC(=O)C2=C1N=CC=CC1=CC(=C2)NCCC(N3CCN(C(C)=O)CC3)=O,HFWNZURXRDGTJO-UHFFFAOYSA-N
-6E917DC2366772CB_B7EB30D8F9852E92_6038_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)NC(C4=C(C)N(C)C3=NN=N[N]3C4C)=O,CWDUWKCYUHJVTC-JQXSQYPDSA-N
-6FF335D73F2C27D6_44804FC5462DD88D_6038_UN,CCC(=C(N=O)C(=O)OC)OC(=O)[CH]2C[C]1(C[CH](F)C1)C2,MHSGODZAZWEEFM-UHFFFAOYSA-N
-70FCEC38A4ED9351_43E8EFC4620EDDD0_6038_UN,CC(C)N1C(=NCC1)CNC(C(N(C)C)C[N]2N=CC=C2)=O,CRACNRDTBWYYST-UHFFFAOYSA-N
-7111EF4156B3862F_8D53A0385F9054AC_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCC(C)CC1)=O)C2(C)C,JVFOOCHGGAQOBP-HOAMVYINSA-N
-713BA2085AD81681_4CEA7BB74E6E4333_6041_UN,CC3=C(C)C1=C(N=CN=C1NCCC(N2CCN(C(C)=O)CC2)=O)[N]3CC4=CC=CC=C4,JOLLALYKMOGBNP-UHFFFAOYSA-N
-71D5CDABC2CFA860_3268B1BAD2A349F3_6038_UN,C[C@@H]1CCC[C@H]1COC(CC23CC(C(OC)=O)(C2)C3)=O,DTHIIAMONVCSJF-XQOMNBSISA-N
-71F34093C5743619_159AA566BD94EC15_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NCC2=NN=C(S2)C3CCC3)F,NCOFKXRMPIPPOA-UHFFFAOYSA-N
-727ADAD967E98CF4_AE2F07038DB6939C_6041_UN,C[N]1C(=NC(=C1C#N)NC4=C(C2=NN=N[N]2[C@@H]3C[C@H]3C)C=CC=C4C)F,QPTWNLILKNADIX-ZYHUDNBSSA-N
-72BDDF54DD324B5A_26A6E0A95429D9CF_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3(C[S](C)(=O)=O)CC3,MBMFKHVXUGDBAZ-UHFFFAOYSA-N
-74F629306CF6BBF7_38DFF9EB4B5540D1_6028_UN,C1CN(CCN1[S](C2=C(C(=CC=C2)Cl)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,HSQOKTLLEOECAE-UHFFFAOYSA-N
-750DCD49725F6385_64343DD67BEFB58F_6038_UN,O(C1CCC2CCC1C2=O)C(C34CC(C(OC)=O)(C3)C4)=O,HDGCNEPSYZRORL-UHFFFAOYSA-N
-7522B1B540DE6F62_1FD736C31660BBA3_6038_UN,CCC(OC(=O)C1=CC(=CN=C1)N2CCCC2=O)C3=CC=NC=C3,RTQUBRFSSDUVJE-UHFFFAOYSA-N
-76334F5BE49381C9_EA9A7463C832AC5C_6038_UN,CC(NC(C1(ON=C(C)C1)C2=CC=CC=C2)=O)C3=NN=N[N]3C,GZQNFYYZHRSWSR-UHFFFAOYSA-N
-76CE7AE9495B1F75_E2CA547B3D711BE6_6029_UN,N(C1=CN=C(C=C1)OC2CCCC2)[S](C4=CC3=C(O)N=CN=C3C=C4F)(=O)=O,ZRFXNLKTQODZIJ-UHFFFAOYSA-N
-771CEF0E54CB53AC_E20EFBEC3BFA6013_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=C(C(OCC)=O)SC(=C2)C3=CC4=C(C=C3)OCO4)N(C)C,MBKLXANIHSVRCB-UHFFFAOYSA-N
-775038E5E38EF206_FBED2E2EFF552A08_6038_UN,COC(=O)CC[N]1N=C(C)C(=C1C)NC(C2=N[NH]C(=C2C)C3=CC=CC=C3)=O,UYDBNRBCWDDYER-UHFFFAOYSA-N
-777E59821403C72B_E53CB6E14862C679_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3Cl)F)(=O)=O,KAFVLMIOTSUBTO-UHFFFAOYSA-N
-77D4AA74237DCFBD_0F169804860265D9_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3C[C@H](C)O[C@@H](C3)C,KZULXNLUHRCNIA-FOSCPWQOSA-N
-796D8CECF50BEC03_BA8531A879DD342A_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CN(C)C)C(=O)O,IVKZMVHSPBRPIJ-NSHDSACASA-N
-79C0A6A16EA6B6D6_2F09C529C49093ED_6034_UN,S=C3N=C(NC1=CC=CC=C1)C2=C(C=CC=C2)N3CC4CNC(=O)O4,GKFIZPBYTCMZEC-UHFFFAOYSA-N
-7A39E40BECD4D236_FC2CBD4C7AE85FDD_6038_UN,CC1(OC4=C(C(C1)NC(C3=C(C)N(C)C2=NN=N[N]2C3C)=O)C=C(C=C4)F)C,VEKAUJDELDYWPH-UHFFFAOYSA-N
-7A4C6C3838B49CB5_018DD55B99F55118_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4([S](C)(=O)=O)CC4,BFPMTEBDCCIHIR-UHFFFAOYSA-N
-7A9696BA24F102D0_050E271A97207A8F_6039_UN,CC2=C(OCC(NC1=CC=C([S](C(F)F)(=O)=O)C=C1)=O)C(=O)CC2,NZHOTOIWIFTQNA-UHFFFAOYSA-N
-7BFDE5FCD4093DDA_FF02FEA906BCDD62_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CC2)C3=C(ON=C3C(OC)=O)C(=O)OC,ZLAHMGLDKQDKKA-UWVGGRQHSA-N
-7D0A81BD870AB0B1_65158EE737C71F2F_6038_UN,COC(=O)[C@H]1[C@H](CCCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,BBCIRQSXAWKGLG-YHSCQJQJSA-N
-7D651A8890AA39F8_6276D7F24EC77119_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2F)F)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,YUCNHZBYLVCXSF-UHFFFAOYSA-N
-7DA62E892B78EA65_FA47CAD581DE1AF9_6041_UN,CC2=C(C=C1C(=CC=CC1=N2)NCCC(N3CCN(C(C)=O)CC3)=O)C(=O)O,APZCVFHLAZBVJS-UHFFFAOYSA-N
-7DDB19882226639D_25965C20D69A2749_6038_UN,CC[C@H](NC([C@@H]1CC=CC[C@H]1C)=O)C(=O)OC2CCCCC2,GNOGMLMUUOXWJU-BMFZPTHFSA-N
-7DEA4AF78660829E_664A014F1E036D9F_6038_UN,N([C@@H]1CC[C@H](CC1)C#N)C(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,UUTMMZFNEPIDHC-WUOXDULXSA-N
-7EADE2823B40831B_967360F88091ADCF_6038_UN,C[N]1N=CC=C1CN2C[C@@H](F)C[C@H]2CNC(C3=C[NH]N=C3C4=C[N](CC)N=C4)=O,WIXOFSPXJHWFFH-HOCLYGCPSA-N
-7EB95523231FB1F0_4D2B57122211B71B_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCCC(N4CCN(C3=CC=CC(=C3)C)CC4)=O,TUHVWGGNONFYFY-UHFFFAOYSA-N
-7EE7092607D527E7_08CD5F4C09F70FD3_6034_UN,COC1=CC=C(C=C1)C2=NN=C(S)N(C2=O)CC34CC(C)(C3)CO4,XUSLHWOKULWUIV-UHFFFAOYSA-N
-7F5226CD59FD0909_E1BC7C0F41FE8C11_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,POAWMQPQIXVQOR-UHFFFAOYSA-N
-7FDF308A79AF0728_EAED9BD0930A0294_6041_UN,OC(=O)C3=CC1=C(C=CC=C1NC2(CC2)C#C)C(=O)O3,UJRLQGGYVMWLBJ-UHFFFAOYSA-N
-8083856557CBC06E_60A489954B805CB3_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,LIFXRAORWPRJGJ-UHFFFAOYSA-N
-8092BCE042071FD3_C23581667DB1090F_6035_UN,CC(=C1C(=NC(=C1C)C)C)OC2=NN=C(O2)C3=CC=C(C=C3)[N](=O)=O,OSKMQRNURNMDRF-UHFFFAOYSA-N
-80A546E3262699CA_A2E2F55283216157_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)F)C(C3=NC(=C(C(=N3)C)C)N4C[C@H](N(C)C)CC4)=O,XJMTXRCYKKLHIQ-CQSZACIVSA-N
-816B8861D4DC6535_BD3B045F25150D7A_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)N4CCOCC4=O,KTIMKESATVLAEF-UHFFFAOYSA-N
-81AABEE1BA61D65F_D5B2A449ADDB54A7_6031_UN,COC1=C(C=C(C(=C1)OC)N2CC(CC2=O)C(=O)OCC34CCC(C)(CC3)OC4)Cl,YOUOZFFRALATPQ-UHFFFAOYSA-N
-835133EC9967400D_BE99E6E07ADCFEBD_6038_UN,COC(=O)C[N]1N=NC(=C1)CCNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,GDAFWGOMBCIQNT-UHFFFAOYSA-N
-839A4C24A98D5FB6_2896E4F8E8E11300_6039_UN,CC(=O)CC(C)(C)OCC(NC1=C(C(OC)=O)SC=C1)=O,KDBODLFAQYEPCU-UHFFFAOYSA-N
-83BA70E788C0DED5_9C59C32E94ECF37C_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NC3(C(OC)=O)CC3,KORYXACLSIIDBE-UHFFFAOYSA-N
-8428B4094FCE38BD_20F8A27936136AF9_6038_UN,O(C1=CC(NN=C1)=O)C(C2=CN(CC)C3=C(C2=O)C=C(C(=C3)N4CCN(CC4)C(=O)C)F)=O,WLJYDLFHEOZVSS-UHFFFAOYSA-N
-847165C813CEA179_964835472CAC475C_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,RQWCIZCYKBDLGD-UHFFFAOYSA-N
-865F0265957B7D20_F8C8B193A329C9A4_6041_UN,CC1=NC(=NC(=C1)NC2=CC=CC3=C2OCCC3N(C)C)[S](=O)(=O)C,NZEDWPAFLIYYAY-UHFFFAOYSA-N
-86A6A264696C49FA_EFC6494E8C3E0CDC_6029_UN,C1CN(CCN1[S](C2=C(Cl)N=CC(=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,UYMNFELGTRQRCN-UHFFFAOYSA-N
-86E5DA3998A2E5F4_6879DFC420FA2254_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,CWQUWMRFNLYRIV-UHFFFAOYSA-N
-876A373E60669E13_43CE8B121BE16450_6036_UN,CC(C1=CC(=CC=C1)[N]2C=CN=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,MERJOJCZZNLAMY-UHFFFAOYSA-N
-8A1A30C9C3641ACB_3367D42922C57725_6038_UN,O([C@@H]1CCCC[C@H]1C#N)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,STFXOMFZTJLULK-JOJSCWBSSA-N
-8A86512B5139E1B5_02CB91D8EF4EC1B1_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)C)F,YGAVWOKSPDIJFM-UHFFFAOYSA-N
-8AC5190640B53388_76EE75DEAA48D2AC_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)C4,RFGWMWIXRFJOMM-UHFFFAOYSA-N
-8AFCBBE7D0655728_6631AFBA48901193_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C(C=C(C)C=C3)N4CCOCC4,JMDGZRAGYXESQA-UHFFFAOYSA-N
-8B54274359B35739_6D38F78A8657C0B5_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCN3)C)=O,STZXQCCQIQUSDN-UHFFFAOYSA-N
-8BF4B21A340638E1_12E0E880BA6540B8_6026_UN,CC2=C(C=C1OCOC1=C2)[S](=O)(=O)N3CC(F)(C3)C#C,KPRZPAZLVYLEOO-UHFFFAOYSA-N
-8D0DA5823D41A3D0_0B6D54F869096F9D_6041_UN,C[S](=O)(=NC1=CN=C(N=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)C,ANAVBQDHFYXFSC-AWEZNQCLSA-N
-8D2DB4B6CBAA2595_CAD68C5D98C0C926_6038_UN,N([C@@H]1C[C@@H](C1)CC#N)C(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,TXDPZRGQRTVVGA-PMZHUOJVSA-N
-8D4D09BEEB08E464_C5D9511DE63DA485_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=NN=N2)CCN(C3=NC=CC(=C3)C#N)CC4,DRNKERSOFOSBRY-UHFFFAOYSA-N
-8DF23F6BCACA7882_72B1A183BC774066_6041_DP,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NC3(C(OC)=O)CNC3,UVPVRCIQZPTIGD-UHFFFAOYSA-N
-8EE4F18A62E4DC0C_2DBCB10B425C7369_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(Cl)C=C3)CC4,RXNKTPKVXIZTQF-UHFFFAOYSA-N
-8F6F62E49F741C3A_015EF01C649A39EF_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)N=C3)(=O)=O)C4=NN=CC=C4,VXJJRMCMMADJNV-UHFFFAOYSA-N
-8F74848AA678D694_9820C9CDA86C8CAA_6029_UN,ClC1=CC6=C(C=C1)C(=C2CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O)C5=C(C=CC=N5)CC6,IHKWRDZKMUGQJC-UHFFFAOYSA-N
-8F8C9912B49B5DAF_99ACCFAEC3315949_6038_DP,OC(=O)[C@@H](NC(C1=C(C)C2=C(S1)NC(=NC2=O)C3=CC=CO3)=O)CC(=O)O,VYPPLMTVJQOIAB-ZETCQYMHSA-N
-905AD4236C94D947_A812BEF93C725112_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3=CC=CC(=C3C)C[S](C)=O,BLEFBYCPLCFOSF-UHFFFAOYSA-N
-90CA310A0BA18247_1ACC6371DC2A0E6B_6034_UN,NC(=N)NCCC1=CN(C=N1)CC2=CC(=NC=C2Br)OC,BBHGEXRUUSSKAN-UHFFFAOYSA-N
-90F2DACE1017769F_EB71027D3BFDEE6E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(N(C)[S](=O)(=O)C)C=C4,BREOBRHXXHPRTP-UHFFFAOYSA-N
-921B9E76D8CAEAD7_326F4DD69BB27290_6026_UN,[S](=O)(=O)(C2=CC1=C(C(=CN=C1)Br)S2)N4CC5=C(OC3(CCC3)C4)C=CC=C5,VTXPODKIYVKVDT-UHFFFAOYSA-N
-9241DE4980FFE9D7_8DDB0157FF0AD2E9_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C(B(O)O)C=CC=C3)(=O)=O,CUFODMRZFCAZPQ-UHFFFAOYSA-N
-9260D060A12D0A5B_2C739DFBD93034E3_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)[N](N=C3)C4=NC=CC=C4)=O,HMJFBDUUGZUFKB-GOSISDBHSA-N
-92690F99C1ED6CC2_79CC8419141873CC_6031_UN,CCN1CC(CC1=O)C(=O)OC[C@H]2[C@@H](CNC2)C3CC3,RTTRFAYDLZQPIR-SPOOISQMSA-N
-92973ED3D5AC63D5_7D49EC264C999CAB_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2F)[N]3C=CC=C3)C)(=O)=O)C5=C4C=CSC4=NC=N5,OXQAXQNUUZLUPG-UHFFFAOYSA-N
-92C657C69DAF7161_DB514B40AB6FC444_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C(O)=O)C=C(C(=C3)F)F)(=O)=O,DTYQAHOSJQRVCV-UHFFFAOYSA-N
-9334A85FC2544D93_6F1E0A4BD823009D_6031_DP,O(C(=O)[C@H]1NC[C@H](C1)N=[N]#N)CCC2CNC(C2)(C)C,RNJZPUYAZGZFSZ-DVRYWGNFSA-N
-934EBFD9FC0989E9_B4F92A8DB1524125_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)NCC4=CC=C(CN3CCN(C)CC3)C=C4,QJMLYSHMJZOAJW-UHFFFAOYSA-N
-934F91D847EA63D3_7BDF2C8DC0F0F3EA_6036_UN,CCCC(CCl)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,QKJOQTZLXTWDDS-UHFFFAOYSA-N
-93BFB995089FAE2F_F383A072E2BBC59E_6029_UN,CC1=CC2=C(C=C1)N(CCCS2)[S](C3=CC(=NC(=N3)C)C)(=O)=O,DUPLMYHFFYYLTM-UHFFFAOYSA-N
-94D14B8A1A79227E_7A81480AABBDB5F9_6029_UN,CC1CN(CCN1[S](C3=C(C)C=C2OCOC2=C3)(=O)=O)C4=NC=C(C=C4)F,CBFWKBRAROVEJQ-UHFFFAOYSA-N
-94E17C02F3341EE6_19DEE6DB8537CC11_6035_UN,C[C@H](OC2=C(C(OCC)=O)N=C1C=NC=NC1=N2)CC(=O)N(C)C,ATGPHDNUCMVGPX-VIFPVBQESA-N
-95BAD901107EB106_28B1E21FEDE508C9_6038_DP,CC[C@H](NC(C1CCCC1C2CCNCC2)=O)C(=O)OC,LWYKTOXTQNIIBL-RUXDESIVSA-N
-962B7B7F224C9C6F_CC07156F4DF1EF92_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,INVSNWUSUGAPIK-UHFFFAOYSA-N
-967F6592A743C1C7_3D95435CA48926EF_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(CC3=CC(=NO3)C)CC4,IGYVCXNWLICVOO-UHFFFAOYSA-N
-96D30046DE4E450B_D3941887E3D262A8_6038_DP,CCOC(=O)C(NC([C@H]1C[C@H]2CNC[C@@H]12)=O)CC3CC3,PYKOKCGVVPWOAN-ACJTYDJDSA-N
-978E8FD9E9CF360F_15D95CB329570A3B_6029_UN,COC1(CN(C1)[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C,AMGDITQALYDOQH-UHFFFAOYSA-N
-97CD8FDD2F788448_F0096AA475281C8B_6041_UN,C1(=CC2=C(N=C1)OCC2)NC3=CC(=C(C=C3)F)[S](N(C)C)(=O)=O,NTARBPYRFAYZGB-UHFFFAOYSA-N
-98B8C677CDD73A6F_07C0DACFFCD03CCF_6029_UN,N(CCCN1C(C=CC1=O)=O)[S](C2=CC=C(C#N)S2)(=O)=O,HNLHKAXQZUDGGN-UHFFFAOYSA-N
-991A65063F9E546B_D394CAA881E32396_6038_UN,CN1C(C[C@@H]([C@H]1C2=NC=C[N]2C)CNC(C3=CN=C4SC=C(C)[N]34)=O)=O,LTFAGYPXKKOEBF-RISCZKNCSA-N
-99FCD656F5914116_A61089B778E2F21C_6038_UN,CSCC[C@H](NC(C1=C(C(N(C)C)=O)C=CC=C1)=O)C2=N[NH]N=N2,UKXWXOPYAMMDFR-LBPRGKRZSA-N
-9A354D2D723664E1_E614D3EEEF30B633_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C[NH]N=C3C4=C[N](C)N=C4)=O,GAOCTKNPHFAMHG-MRXNPFEDSA-N
-9C4520ECA20FB5D0_8223B90C0438EDA6_6038_DP,CSCC[C@H](NC(C13CC(OC12CNC2)(C)C3)=O)C(=O)NO,ZSCNENSDTGNSSZ-ALXWSUNGSA-N
-9CD70B11D2339422_B980CDE345185925_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=NC(=CS3)C)CC4,RBRPRMIJMXFYIM-UHFFFAOYSA-N
-9D19FD6CA41E57B1_BF21B00322E3DC38_6041_UN,SC2=NN=C(COC1=CC=C(C=C1)NC(C)=C(C#N)C(=O)O)O2,GZHOWWZLJJSQDT-UHFFFAOYSA-N
-9D50C8A7C6C0E665_C63B837A9284890E_6038_UN,S(C1=CC(=CC=C1)C#N)C(C3C(C2=N[NH]C(=N2)C)C3)=O,RAPVKJSDPPJRKO-UHFFFAOYSA-N
-9DE73406BB901DAA_4160C69FAB8A0446_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC3CCN(C)C3CC4,MGMIJTXBQWBNHH-UHFFFAOYSA-N
-9EA4FAFB83F6C9B8_6EAC1DA12E89C661_6038_UN,CC1=CC(=C(C=C1)C)SC(C3C(C2=N[NH]C(=N2)C)C3)=O,YDCAUTCNHYGEHY-UHFFFAOYSA-N
-9ED7EB1F08857984_800BCE780D840EA5_6038_UN,CC(C)[C@@H]1CCC[C@H]1NC(CC23CC(C(OC)=O)(C2)C3)=O,KMVJNNQUHMEFQW-IQFARLITSA-N
-A06B84268B9F4F00_0D8B7AAC9DEC9B23_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)N2CC(C#CC(OC)=O)C2,VNADNPHVEALUIB-UHFFFAOYSA-N
-A27E0D95BBD15B4C_0C9B19736CB3533B_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C=CC(=C2)CN(C)C)C)C,GWNFABOTFIGWCG-UHFFFAOYSA-N
-A2F3A54BAD6DF503_D96F34E85CC705CC_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=CC(=C4)C[S](C(C)(C)C)=O,QCNQEXFBIMNSBZ-UHFFFAOYSA-N
-A393945A8769B520_09D2AC9F64DC64B2_6038_UN,N(C1=CC(=C(N=C1)Cl)Br)C(C2=N[NH]C(=C2)CCCCC)=O,IZMOSXOYWMOJOA-UHFFFAOYSA-N
-A3FB71A07D26D41F_6D38C367BB8A598F_6038_UN,CC[N]1N=CC(=C1)O[C@H]2[C@H](COC2)NC(C4=CC3=C(N=C[N]3C)[NH]4)=O,BCWANUJBKDBPPV-GXTWGEPZSA-N
-A4C19A58D0E01822_739B97F4C18E3A82_6038_UN,O(CC1=C(C=NC(=C1)F)F)C(C2=N[N](C=C2CN3CC(N(C)C)CC3)C)=O,PLGXHFLXVWDLIN-UHFFFAOYSA-N
-A5765E10EEE26CDD_B89290A442B4FDB3_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)C4CC4,ISWZQAFEPKQRPY-CQSZACIVSA-N
-A5DF45475457B2A2_D3CC725E5D27FAFB_6029_UN,CCOC1CN(C1)[S](C3=C(CCl)C=C2OCCOC2=C3)(=O)=O,AXLIYJOVZXIIMV-UHFFFAOYSA-N
-A61D6F5D13A83196_FFEE65E683BCC89B_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5,LTLLIYGWQUSJGV-UHFFFAOYSA-N
-A64E2FD0C839E98F_4B60FEDD6D8D66A0_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O,VOIPLLKPMPTKRE-UHFFFAOYSA-N
-A7778E9E47349AF2_30DA3743DA29D933_6026_DP,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N(C3CNC3)C4CCC4,XRRUDAYPWZAKLA-UHFFFAOYSA-N
-A8622A333120A840_9D023BF2AD1A76A5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,ZZWLHBOKXIDLLB-UHFFFAOYSA-N
-A8AC13CDD53D5D5C_6F840F18E9C50299_6038_UN,CCCC(NC(CC1SC(=NC)N(C1=O)C)=O)C2=NC(=C[NH]2)C3=CC4=C(C=C3)OCO4,OZWPFTHVRKMEIU-UHFFFAOYSA-N
-A8D2F788CA34F892_2D0C72C44D20ACB0_6038_DP,CC[C@H](NC([C@H]1C[C@@H](CN1)F)=O)C(=O)OC2CCCCC2,UCPXPQIFFQAEFV-WCFLWFBJSA-N
-A8EAAFB7EF040146_E8D915C3EB5623E5_6038_UN,COC(=O)[C@@H]1C[C@@H](CC1)NC(C23CC(C(OC)=O)(C2)C3)=O,KAYSUJQNFBRCNW-KYAJGSDZSA-N
-A98BD696F8713C8C_F75FC45BFE8257D2_6029_UN,C1CN(CCN1[S](C3=C(Cl)C=C2CCOC2=C3)(=O)=O)C5=C4C=CSC4=CC=N5,FWNRLLBXGKIBSX-UHFFFAOYSA-N
-A9FCEFC0212C1E4F_3D344845488180E0_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CCOC3=C2C=C(C=C3)F)C4CC4,FGYRWNQOJHHPKW-UHFFFAOYSA-N
-AA4189BBC60F663B_F4F05A8D427FA1E2_6038_DP,C[C@@H]1C[C@H]1[N]2N=NN=C2C3=C(C(=CC=C3)C)NC(C5(ON=C(C4CNC4)C5)C)=O,UZCVTOCDZLCZBT-VRORWYBRSA-N
-AAEA851BF6267999_78782355F1AFBA1F_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=NC=C(C=C2)CC#N)(=O)=O,UVOARLBSNUTOQM-UHFFFAOYSA-N
-AB3E43E678CEEB42_A5A10DE1F00449A3_6034_UN,COC1=CN=C(N(C1=O)CC23CCC(C)(CC2)CO3)C(C)(C)N,DBXJRDGVSSPQEX-UHFFFAOYSA-N
-AC9B5F8753C04CED_7BAF518E6D8B2C63_6029_UN,C1CN(CCN1[S](C3=CC2=C(O)C=CN=C2C=C3Cl)(=O)=O)C4=NN=CC=C4,JNQGRSOXNIWDHG-UHFFFAOYSA-N
-ACB97EDC6155B875_7151E982179737ED_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)CC)[S](=O)(=O)C,PYTFNCAWGQAEQO-UHFFFAOYSA-N
-ACC5F647E5B39AFC_87FA8E84C209A688_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3=CC=CC(=C3)B(O)O)=O,LBHWISBPICJHEF-UHFFFAOYSA-N
-ADB7A57C8C98944E_2E7E469E8BBF0A91_6028_UN,OB(O)C1=CN(N=C1)[S](C3=NN=C(C2=CC(=C(OC)C=C2)OC)O3)(=O)=O,GDLKAAZAECABGS-UHFFFAOYSA-N
-AE4E2E0F31FB04F5_50B2CA913A0568E0_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC2=CSC=C2C3=CC=CC=C3,XVCHWLFMVVNNME-UHFFFAOYSA-N
-AE9A523C9DD9CF94_4CD3C6D22608A967_6026_UN,ClC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5,HILRBKSBKUUIAT-UHFFFAOYSA-N
-AEC1AC4A5F8413EE_DD31B8B82DCBA0DC_6041_DP,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H]([C@H](CC)C)C(=O)O,ODFVTMSGVQLJDM-NZUVGVKCSA-N
-AF692EC54231CCA7_869781957EC6CD98_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,PZVIAHGKTOHCQY-JVAIGGLHSA-N
-B0A6EB56D9AD65E6_E32BD9638FDCD225_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,OIFFRMFOFDBQGH-UHFFFAOYSA-N
-B0E4719A8566BCCF_59AE0C0400518CDD_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CCOC3=C2C=C(SC)C=C3)C4CC4,VGBJPGFRGXGXAF-UHFFFAOYSA-N
-B19CCF45B5A9A534_00B06317DC4AAFE9_6041_UN,C[S](=O)(=NC1=CN=C(N=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)C,FVFRWCIKULAUSA-AWEZNQCLSA-N
-B289F8BE6D9FC2E3_68343951BB5F43D4_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=C(C=CN=C2)I)(=O)=O,MILDWXZUSBCVDC-UHFFFAOYSA-N
-B2B17E038D5DD95A_B1FE9D938A043170_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C5=N[NH]C=N5,WTMZFJWQCKFSCN-UHFFFAOYSA-N
-B319CDF4284F6C7F_EC3F9CFB88E4ADFF_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C)C=CC(=C2)Cl)CC3)C,JGOWQFHJQNWNAW-UHFFFAOYSA-N
-B3FC071B45F734E2_3FF00E5E7701EB1B_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3CC(N(C3)C4=C(C=CC=C4)F)=O,QEPXTZPRGZBAJN-UHFFFAOYSA-N
-B534E99A2C2288D1_A688461712FF45A2_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCCN(CC3=CC=C(C)C=C3)CC4,VXLJAGZQLWPKLB-UHFFFAOYSA-N
-B5A4205F95A0797B_4CC73518A4F4B145_6039_DP,COC(=O)[C@@H]2C[C@H](OCC(NC1=CC=CC(=C1)NC(C)=O)=O)CN2,VYJBCOBHNYBRQC-KBPBESRZSA-N
-B5CA7E8DDE6EF823_B9C6CD23F7884E93_6005_UN,O=[N](=O)C1=C(C=CC(=C1)C2=CC3=C(C=C2)C=CC(=C3)O)Br,MJDGOWVCCIIBKZ-UHFFFAOYSA-N
-B62DE1D6B1E70FDC_CE5E10BD8F5749BF_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(C=CC(=C3)Cl)C4CC4)(=O)=O,MOKUBKDKFAVFPS-UHFFFAOYSA-N
-B67F1282DEA12B4E_851E963516E495E9_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)NCC4=CC=C(CN3CCCN(C)CC3)C=C4,VOIWDYFMXMZVCM-UHFFFAOYSA-N
-B76DF3AC24A832AC_88B9B7BD527ED836_6038_UN,O(C1CC2CC1CC2F)C(C34CCC(OC)(CC3)CC4=O)=O,ADVRAQGWHIHXNT-UHFFFAOYSA-N
-B83047DA481EBFF9_17E5D45B628DDADA_6026_UN,CC1=C(C2=C(C=C1)C=CC=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,UVBOYFYWZSWBQL-IBGZPJMESA-N
-B86AC1A627705C93_F1CECF0CEA690C71_6041_UN,C2(=C1N=CC(=C[N]1N=C2)C#N)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,QYBMFWYJIJAUJJ-KBPBESRZSA-N
-B8CEBD79EEB1893E_02C2FDC361C570C7_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C([S](N(C)C)(=O)=O)C=CC=C4F,JIIDGYUVVLLHRO-UHFFFAOYSA-N
-BB8FC8EDB8A3286E_BB8563179574AF0F_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=CS2)CO)(=O)=O,YPYXOQYZOFYTBO-UHFFFAOYSA-N
-BC194097C80DB7E4_A379D399AEE40C85_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,SYPBEWVOIAVTHA-IBGZPJMESA-N
-BC7C7EAF558F6D80_84B4D815A12D879F_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=C(C=C3OCCOC3=C4)Cl)(=O)=O,WNAYFQLBVDWNQR-UHFFFAOYSA-N
-BE6B2C57531F3BF9_D7B84C937AEB516F_6038_DP,CCC(=O)N3CC[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)C3,GJHHIILXQQMZHS-MELADBBJSA-N
-BED112BFF9130CAF_3889606AFDE6ED7F_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC=C2)OC(F)(F)F)CCCN3C(=O)C=CC3=O,CMUQZMFAFWDUBK-UHFFFAOYSA-N
-BEDE6F273E233DCE_00CAE064A3A67823_6038_UN,CC1=C(C(=CC=C1)OC(CN2C(CN(C)C2=O)=O)=O)F,SMGOAWBYNFZJCY-UHFFFAOYSA-N
-BFE1EA08F1BC1B53_1114404E721D6324_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(CN3CCN(C)CC3)C4,KNIFENMJOMHKQZ-UHFFFAOYSA-N
-C02A0AF37403A5EA_E604C62F21777FDF_6041_UN,C1(=C(C=CN=C1)C#N)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,SJOCLARXHTVFDA-KBPBESRZSA-N
-C0D9ECD57D89BBFC_CAA4F233443F7A00_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NC45CCCN(CCC4)C5,ICLHPBRKHYIUJI-BZQUYTCOSA-N
-C140C7014B872170_EAD5A0ABEB6C16A1_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,PWEGAXCVHHGKSC-UHFFFAOYSA-N
-C1CA093056E12A30_595D1A0C7B208ECD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4,ZGBFHYDYGPMRNV-UHFFFAOYSA-N
-C2E04D17EFCCB539_387A2E6A6B182F24_6026_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)NCC2=C(C=CC=C2F)N3CCCC3,RDQKECDXMOETIK-UHFFFAOYSA-N
-C3A7027EC21039FD_B19CBEF22667C492_6038_UN,N(C1=C(C=CC(=C1)C2=NN=N[NH]2)F)C(C3=CC(=NC(=C3C#N)SC)C4CC4)=O,XHKADHKPYDCDGN-UHFFFAOYSA-N
-C42BABB87B0C0D3F_D4DCA649E63636D0_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](C)(=O)=O)C=C4)F,BGKLNWDXELCBKQ-UHFFFAOYSA-N
-C491851C5B09BADE_30912CDBE5E4B503_6034_UN,COC1=NNC(=O)N(C1=O)CC23CCC(CN)(CC2)CO3,IVALUJWCXPFGAQ-UHFFFAOYSA-N
-C561F7B94E4F58B1_88A9AE376F1F8D6D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(C[S](C)(=O)=O)CC4,BGMSEAPXRAVOJR-UHFFFAOYSA-N
-C59F8B8BB6FC7FDF_477FD5D470DB8FF8_6041_UN,C1(=NC(=CC=N1)[N]2C=CN=C2)NC6(C3=C(C=C5C4=C3OC[C@H](C)N4C=C(C5=O)C(=O)O)F)CC6,CZKKJBOEXBXEKD-LBPRGKRZSA-N
-C74896E03FAD13E5_72572C7CD3551B90_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=C(O)N=CN=C2)C=C3)(=O)=O)C4=NN=CC=C4,NIEGGYBUJIMISG-UHFFFAOYSA-N
-C7D0A8964BA8AF15_DA56F4528A1AF2D5_6036_UN,C(C1=C(N=C(C=C1)F)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JGEZIQLSMPLBEI-UHFFFAOYSA-N
-C83EDAADFB0B9A74_9457D23A27204A10_6036_UN,C(C1=C(C(=CC=N1)Cl)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,FPOZORGTCUOFPM-UHFFFAOYSA-N
-C88C31AE1D7D5955_A451417CCED70A75_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC[N]2C3=C(N=C2CCC)C=CC=C3)=O,NSCYAVMSIUEBEI-UHFFFAOYSA-N
-C88C94165B40A334_B9C5F1F4795AD69A_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(CC[N]3C=C(N)C=N3)CC4,IAVOGXYFNHRFAG-UHFFFAOYSA-N
-CB70359B7FCE919B_2A85539AE5DC756A_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N6CC3(CN(C)CC3C4=NC(=NC=C4)N5CCCC5)C6,IRVFAKIUAONXKW-UHFFFAOYSA-N
-CBB44FE6A8B11119_4634DAFDD137B86F_6039_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)CCCC(NC3=C(C(C)=O)C=CC=C3)=O,CFDAOJXOTDBYBM-UHFFFAOYSA-N
-CC45E506C9F75216_94E9EA972AD95D14_6038_UN,CSCC[C@H](NC(C1=CC=CC(=C1)OCC(N(C)C)=O)=O)C2=N[NH]N=N2,XVHSJUUDZJKGAM-ZDUSSCGKSA-N
-CC4B774C6FE61FDC_AD9E1465065D9803_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3([S](C)(=O)=O)CC3,OWOLWJRVYXSFCA-UHFFFAOYSA-N
-CC59B3A269D1C8E8_20DB1E60440299F8_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3(F)CNC3,ANSQLFBSAMTJMZ-UHFFFAOYSA-N
-CF02C8354D1EAE36_C0CCB8507798E9F4_6035_UN,CC1=C(C1COC3=N[N](C2=NN=C(C)C=C2)C(=C3)N)[Si](C)(C)C,CQOACGOARUHVEM-UHFFFAOYSA-N
-CF1D76616A426C9D_0182A015F3588261_6029_UN,C1CN(CCN1[S](C2=C(C)C=CN=C2Cl)(=O)=O)C3=NC(=CS3)C4=CC=CS4,CLLXMNMCTGTUOT-UHFFFAOYSA-N
-CF446D0F0C3109C1_B668090A764E9FF5_6031_UN,CCN1N=C(CC1=O)C(=O)OCC2=C(CCN(C)C)C=CC=C2,BOIQYFQOMOAFMD-UHFFFAOYSA-N
-D136FFA6F2D8D404_FD091499A9620E92_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](C)(=O)=O)C(=C4)F)F,QLWNZZPXANTVNZ-UHFFFAOYSA-N
-D1584B498DFB15B7_28455D379E4714BC_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)N=C(S3)C4=NC=CC=N4)=O,DOCIXAJABIKZKR-OAHLLOKOSA-N
-D279BE01072A4156_55A6CA616D2FF42B_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)C4,FNAHWEVXHCHVOC-UHFFFAOYSA-N
-D2B8E9694324D5B4_688D8B163F1B86FB_6038_UN,N(C[CH]1C[C](C1)=[CH2])C(=O)C2CC(C2)C3=CC(=CC=C3)F,NZIFPJZBSVEFRL-UHFFFAOYSA-N
-D3E4CED5938886F5_9288AED56DA773BE_6034_UN,FC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3C(CNCC3)C4=CC=CC=C4,JSRFISGPCBDDEB-UHFFFAOYSA-N
-D4C02917C51CB590_5205DC8353AB9662_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC(=C(Cl)C=C3)Cl)CC4,PSMCWXJSFVMHPI-UHFFFAOYSA-N
-D5318E7071055A9B_5424BD148EDD40E7_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=C(C=CC(=C3)C)S,RCWOKZMYVZBSCT-UHFFFAOYSA-N
-D53F674191C4BE57_460ED07E3A81F35E_6031_UN,O(C(=O)CSC1=[N](C=CC=C1)=O)C[C@H](C2=N[NH]C(=N2)C)N,ZKICUCBPCWDLNP-SECBINFHSA-N
-D65D5421E1C14344_9E9436173949660A_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCC(CCC)=O,QMQYOQBDUGTTJB-UHFFFAOYSA-N
-D7076D771C34DC67_3A723F689AA40843_6036_UN,CC1=C(C=C(C=N1)F)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,DCVYTJUBQALXAO-UHFFFAOYSA-N
-D9402B3231C5BC47_B1C5B29F053528D5_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2CCOC3=C2C=C(CC)C=C3)C4CC4,FNRAPNLIJPVWBJ-OAHLLOKOSA-N
-D9D4106FFBE6D10C_885FF9E9D79E2EA1_6029_UN,C1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C5=C4C=CSC4=CC=N5,WXSMAACGUPRBCU-UHFFFAOYSA-N
-D9FE3BA8ECA7B4B4_A23BBB41AEC2FBC5_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,QOMTYJCOFAKATD-UHFFFAOYSA-N
-DA16E63278F10389_855A9454F255940C_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)N=C(S3)C4=NC=CC=N4)=O,DOCIXAJABIKZKR-HNNXBMFYSA-N
-DA31557950A1460F_C09F6B238C050F4B_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C)N=C(S3)C4=NC=CC=N4)=O,DRBRYLXPRVOPMA-AWEZNQCLSA-N
-DA6495B0DBAAE873_BA9E88286F7A1C7C_6026_UN,C[N]1C=C(C=N1)[S](=O)(=O)NCC2=C(C(=CC=C2)OC3CC3)F,NLPBPCGHZWLPLK-UHFFFAOYSA-N
-DBBAF036BBFF9EF6_06CB63312F414C5E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C4CC4,BGWWZDAYUHTCIC-IAQYHMDHSA-N
-DC5C12531D7C7732_35AFD864EBBA049C_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)N[C@H](C(N(OC)C)=O)C,HKHJADKCUXDROA-VIFPVBQESA-N
-DC71A6674E43324E_08EC26698C6F78F8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)C)[S](N(C)C)(=O)=O,VJEMPOIXSWEOOV-UHFFFAOYSA-N
-DCC77F4A4EC7CB8D_93B574AE25A6E1EE_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=CN=C(N(C)C)N=C3,CMWXFOZUJODLNI-UHFFFAOYSA-N
-DE5078746D37FD53_02F431F0483135A9_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,LZGGBLCMEZCIFG-IBGZPJMESA-N
-DED265D011EB12EC_E6E31961EE06BB46_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3N=C(C)C=C3)CC4)Cl,VCDBXYQSJMQXJO-UHFFFAOYSA-N
-DF8789A2A5D2F2E6_42BB2D083E224DA3_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,NRYVMXDRLGSQSF-UHFFFAOYSA-N
-DFA7966EB07FB157_D06DAD97917D2679_6029_UN,N(C1=C(CCCC1)C#N)[S](C2=CC(=CC(=C2)C[N]3C=CN=C3)F)(=O)=O,NVABPAPPWABRKE-UHFFFAOYSA-N
-E0746E0F105C0AAA_233D90E1FB4A1E72_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3[C@@H](CNC3)C4CCOCC4,LPANFPMNJQGRDW-HOCLYGCPSA-N
-E1D2A7EE84876057_F1DD2DD8526864A9_6035_UN,CC12CC4(C)CC(N)(C1)CC(C2)(OC3=CC=CC(=C3C=NO)Br)C4,PYQRRQMBSPKIQO-UHFFFAOYSA-N
-E265F75E4E76B7E2_B8F71214784C425E_6038_DP,CC[C@H](NC([C@H]2[C@H]1CCC[C@H]1CN2)=O)C(=O)OC3CCCCC3,RYTOZCWUBMSHBG-QCEMKRCNSA-N
-E2AC4FD3A31CCB49_8C0C301A173082B4_6038_UN,NC(=N)C1=NC=C(C=C1)NC(C3=C[N]([C@@H]2COC[C@H]2OC)N=N3)=O,HWKPFXQFWXXKTC-VXGBXAGGSA-N
-E31D4C0102428C81_D0C27C2AA7372765_6022_UN,O=C1N=C(SC1=CC2=CSC3=C2C=CC=C3)C4=C(C5=C(C=C4)OCO5)F,GDDQZVPWNYUZGE-UHFFFAOYSA-N
-E40604E7DC558F5C_5E3A2E5929810288_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC=C(C3=C[N](C)N=C3)C4,BVVZEQVALFOLPC-UHFFFAOYSA-N
-E4A6051E2D556470_8F389000957BD3C0_6036_UN,CC1=CC(=CS1)CN([S](C2=CC=C(Cl)C=C2)(=O)=O)CCC3=CCCCC3,MLVIAEKZZLCMLC-UHFFFAOYSA-N
-E4D460184961160B_E021632193094496_6029_UN,C1CN(CCN1[S](C2=C(C)C=CN=C2F)(=O)=O)C3=NC(=CS3)C4=CC=CS4,MUVDSQAKUHYHNY-UHFFFAOYSA-N
-E4D92FB4ADEC7336_85E7932D007974AE_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2=CC=CC3=C2OCCC3N(C)C,HRDNFVWPUGEFFJ-UHFFFAOYSA-N
-E57EE4FD0B56AD47_19EE77689F5FC09F_6034_UN,S=C3N=C(NC1=CC=CC=C1)C2=C(C=CC=C2)N3C[C@H]4CNC(=O)O4,GKFIZPBYTCMZEC-CYBMUJFWSA-N
-E5D2C93967782A8A_F313CC2B0040F8B1_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)C4=C3SC=CC3=NC=N4,ZNMFCDBIDWJUCL-UHFFFAOYSA-N
-E5E681CB5A39C43C_C9486727646A8902_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(O)C(=CN=C23)Cl)(=O)=O)C4=NN=CC=C4,ZOZCRBJCFRXLHI-UHFFFAOYSA-N
-E6B7EEC485C694FA_8B792557557D8617_6004_UN,N[S](=O)(=O)C1=C(Cl)N=C2C=CC(=C[N]12)C3=C(C=CC(=C3)C)OC4CCCC4,FHHUPHPDAWLDJZ-UHFFFAOYSA-N
-E6EC51AFB324B5B4_B37D7F6718330214_6029_UN,CC1=C(C=C(C=C1)[N]2C=CC=N2)N[S](C3=NC=C(C=C3)C4CCC4)(=O)=O,GTNRYPWHBKIUDS-UHFFFAOYSA-N
-E7706B7CEE14C62A_5DEC87829DD45F23_6026_UN,[S](=O)(=O)(C2=CC1=C(C=NC=C1Br)S2)N4CC5=C(OC3(CCC3)C4)C=CC=C5,LNTWPYYENSRGOS-UHFFFAOYSA-N
-E78FED9649CEE852_2329B71F4BC29D54_6039_UN,O(CCN1C(=O)CNC1=O)CC(NCC2=C(OC)C=CC=C2)=O,UTVWAHHWBZUXPD-UHFFFAOYSA-N
-E94B79EAB898455E_2C404F7E254C0559_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)OC4=NC=CC=C4,JWFXFFNBJZMURC-UHFFFAOYSA-N
-EA183C9F7FEB472F_E224B6635C709DDA_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCN(C3=NN=C(Cl)C=C3)CC4,MHEOFQAHUYEXGA-UHFFFAOYSA-N
-EBEE0752451A6A48_D9C6571B08AE31DB_6038_UN,O(C2=C1N=CC(=CC1=NC=C2)F)C(CC(CCCCCCCC)C)=O,UYHTZVVXAYAEAR-UHFFFAOYSA-N
-EBFB79619F2D37FD_06508D126E2F53C1_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(CC3=NC=C[N]3C)CC4,NQKIILJLVPFUOD-UHFFFAOYSA-N
-EDA8A0BB30E36819_E0CF8CFB44BC14BF_6036_UN,CCCC(CBr)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,ASIIHPWTDJLHAE-UHFFFAOYSA-N
-EE1D305DE8BCDBD5_5A19CD7B17C7E95F_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(F)C=CC=N3)CCC4,AOVHLBZWYVVNSG-UHFFFAOYSA-N
-EE42B274BBAF5229_2A28B75E140F18B7_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,GFYBHKHAYFFHRW-UHFFFAOYSA-N
-EEEE727B39ED2461_B8F98603C4FEF07F_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3=NC(=C(C(=N3)C)C)N4C[C@H](N(C)C)CC4)=O,DPPVOBBMXSZKEL-CQSZACIVSA-N
-EF1AFB9BC6CCC817_CA535F6C791E5508_6041_UN,CC(C)[N]1C(=NC=C1NC2C(C)OC3=C2C=CC=C3)C,UJPQUNGXRPSBLK-UHFFFAOYSA-N
-EF1D646CAB432F7A_CBA861C63A0F53A1_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(F)C=CC=C2F)CC3)[N]4C=NN=N4,KCWNYIXGFKOMHE-UHFFFAOYSA-N
-EFAF9FF7862C8F51_849D76F8453BACCA_6038_DP,CC[C@H](NC(C1CNC(CC1)C2CCC2)=O)C(=O)OC,DILFGHJYTLISGN-CPCZMJQVSA-N
-F019F4DA2A813D0E_8A6C7D4B9BA70634_6041_UN,CCOC(=O)C1=NC2=C(C(=C1)NC(C)=C(C#N)C(=O)O)C=CN=C2,FCQLEENALMRXTG-UHFFFAOYSA-N
-F0999B367AC85662_A1C2272AFB7AF70B_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=NC=C(I)C=N3)CC4,KPNWCOFSVXJPGO-UHFFFAOYSA-N
-F19974D441E16BF0_D9104DA7B5AE378C_7019_UN,CC1=C(C=N[N]1C)C2=C5C(=CC(=C2)C=CC3=CC=CC4=NC(=N[N]34)C)OCO5,DVFJNBSBEXJQAN-UHFFFAOYSA-N
-F19EAB0CF74A180B_2E4ABA9795911608_6039_UN,CCC(=CCOCC(NC1=C(C(OC)=O)SC=C1)=O)CC,TWIDSTZKXOCSKU-UHFFFAOYSA-N
-F1F16E027A6DEC0A_CE781768043EBBEF_6035_UN,CN3C(COC2=N[N](C1=C(C=CC(=C1)C)C)C=N2)COC3=O,JKILRNPJXGROOG-UHFFFAOYSA-N
-F1F438FF8ECC505C_C1F38CC1F4FD09CE_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC(=C(F)C=C3)F)CC4,JCBNUNWYPXPVTI-UHFFFAOYSA-N
-F20055335F8F7C76_CA55F9DA1078478C_6035_UN,NC1=NC(N(C=C1)[C@@H]4CS[C@H](COC2=CC=C(C=C2)C3=NN=C[NH]3)O4)=O,PLBKUJVMCKGQHD-UONOGXRCSA-N
-F356F20DA58059B3_1979F365C25D881F_6038_UN,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(C34CC(C(OC)=O)(C3)C4)=O,YCEDMGRSAQMNBE-PIONEMMASA-N
-F393CCD8D786DD68_AA8D7CFB27636296_6028_UN,C1CC(CCN1[S](C2=CC3=C(C=C2)OCCO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,GEMOCDSTDIAJGI-UHFFFAOYSA-N
-F41B72B00869A451_1E5DCDCF15CD7CB2_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCCC2)C=C(C=C3)F)C4CC4,IASCPVAXBNFOFJ-UHFFFAOYSA-N
-F4C8CA41F17B11C4_B6059D583A44DD8D_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4C=CSC4=NC=N5,SLHGGEATIHVKPP-UHFFFAOYSA-N
-F4D10478F725BBF7_883A64447902514B_6031_UN,O(C(=O)CCC1NC(=O)NC1=O)CC2=CC(=C(C(OC)=O)O2)C,XUOCNPPOTQWBCS-UHFFFAOYSA-N
-F4E200A5EDDF1610_29CB0FDF466A4F6F_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C3=C2OC=CC2=CC=C3F)S,VWTZUWMNPFNLQK-UHFFFAOYSA-N
-F51E0CB763F6D6CA_C34F78E910DE70BE_6035_UN,C[C@@H](OC2=C(C(OCC)=O)N=C1C=NC=NC1=N2)CC(=O)N(C)C,ATGPHDNUCMVGPX-SECBINFHSA-N
-F56CC96DD0F89FAD_48E5A1DB42B10B4C_6038_UN,CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(C2=C(ON=C2OC)C3CC3)=O,FUVWCOBBMMYKNA-BNOWGMLFSA-N
-F56F270CC5BCDB49_FFA8B611D01D69BA_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C=CC(=C2)CN(C)C)C)[N]3C,MUTBECXTQQNGFJ-UHFFFAOYSA-N
-F6D89E9A34C71499_764B204CECFE1401_7017_UN,N4([S](=O)(=O)C1=C(C=CC(=C1)F)F)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,SQBWAACAIODZMV-UHFFFAOYSA-N
-F78F2260933CB0BE_13304AD9E2D24D7D_7017_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C(CO)C=C3)CC4)F,ROLREWRVVYMZHS-UHFFFAOYSA-N
-F828E431481697B0_B689A01D467A9C89_6038_UN,CN1C(C[C@@H]([C@H]1C2=NC=C[N]2C)CNC(C3=COC(=C3)C4=CSC(=N4)C)=O)=O,JBGLIYKBXBITBY-PXAZEXFGSA-N
-F939C63C1521B4F0_2C4D8FEFC615F28A_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=CN=CNC2=S)OC3=CC=CC=C3,RSJHQFCREDCRKL-UHFFFAOYSA-N
-FA222055E2F2311D_51A96F1CD8CB0EE5_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H](C)C2=CC3=C(C=C2)OCC3,LFNCXQWHLWYQSV-JTQLQIEISA-N
-FAE9AB656F3B6069_57C1317E8E0191FD_6038_DP,OC(=O)[C@H]1C[C@H](CCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,OUBGUTPUVRFARL-LKWWYQRQSA-N
-FBDEE6438071E91F_16DF4E68A2AE049B_6026_UN,ClC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4,PQRHJZBRPOJLEJ-UHFFFAOYSA-N
-FBE91F13483E2CBD_E8CA3CA4C1A8F3E2_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)CC#CC3=CN=CC=C3,CLJSVNQRPLXUFX-UHFFFAOYSA-N
-FC0FBD27D071669E_22AB4755225487F0_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Cl,WOAPHEOZVSRWNG-UHFFFAOYSA-N
-FC38C1C3AB5DDE36_CFB188013D4FBA8A_6029_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,OZLRKKDLMSMWKB-UHFFFAOYSA-N
-FD292B68D84FD8DE_50E31977F1A00243_6038_UN,COC(=O)C2C[C@H]1[C@@H](C[C@H]1C2)NC(C34CC(C(OC)=O)(C3)C4)=O,YCEDMGRSAQMNBE-FEAGJMJZSA-N
-FD98A212FE3442C6_1976556FB2431CDC_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=CN=C(OC)N=C3,GNERUXCHSLJSAP-UHFFFAOYSA-N
-FDFA99905DF9D5AD_B9E4758349699FDB_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCCN(CC3=C(C)C=CC=C3)CC4,BJBHIUHFMKUXSS-UHFFFAOYSA-N
-FE4F7991D8805EDB_A8020C3A668B35ED_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,SCRCCFRRNAAAQC-JVAIGGLHSA-N
-FE72BCD3F123ACB7_291B5C410B28DCB1_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CC)(=O)=O)C4=NC3=C(C=CC=C3)S4,LBCCPWGPWAJVES-UHFFFAOYSA-N
-FEA3F244AC2B667C_02893F6582680A97_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=N[N]2C3=C(C)C=CC=C3C)(=O)=O,QIWMKEQREKIUSZ-UHFFFAOYSA-N
-FF39F193DB58E889_0AB80E0C82E66EF8_6029_UN,C[N]1C=C(C=N1)C2=C(C=CC=N2)N[S](C3=NC=C(C=C3)C4CC4)(=O)=O,ADOMAMIGHBTABG-UHFFFAOYSA-N
-FF516B109337DB32_F3121133FCEB5E71_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,UPIZISZNMVNESV-UHFFFAOYSA-N
-rxn:2:73833:83091,CC(NC1CC2(CC(F)C2)C1)(c1nnc[nH]1)C1C2CC3CC(C2)CC1C3,BRTJFQBFVQHNFY-UHFFFAOYSA-N
-rxn:2:82952:80998,CCC1Oc2cc(OC)cc(OC)c2C1N[C@@H]1C[C@@H](F)CN(C2CC2)C1,QCYIJBSTOLKVHR-JQJNCJEJSA-N
-rxn:2:83091:105982,CC1CCC(NC(C)(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C(F)C1,RCZCWKTWFKNVRP-UHFFFAOYSA-N
-rxn:2:83091:135634,CC(NC1C[C@@H]2C[C@H]1C[C@H]2F)(c1nnc[nH]1)C1C2CC3CC(C2)CC1C3,WDLLTWKNFFPKDC-GZPWTSHMSA-N
-rxn:2:94192:110323,CCC1N=NC(NC2C(=NOC)C3CCC2(C)C3(C)C)S1,LUKVCFFTUBCRNW-UHFFFAOYSA-N
-0104BC5638496671_7F6DE24C6F88447D_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)F,WFMKHDORNSMKBB-UHFFFAOYSA-N
-014077F873DC86F3_E6794B844E3F91A5_6035_UN,NCC(COC1=CC=CC(=C1[S](=O)(=O)F)OC)CC2=CC=CO2,VTMXGWMTXBQBCV-UHFFFAOYSA-N
-0182AEA43FC8578E_BFBBF8DEE17A6CDB_6031_UN,O(C(=O)CN1CC(=O)NC1=O)CC2=C(C(OC)=O)SC=C2,WTSAAYWHIQMIDU-UHFFFAOYSA-N
-01DD214D6B87424B_BDEC58F6EBF3361C_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(CC3=C(C)C=CC=C3)CC4,SZYVDOBLEJQKHD-UHFFFAOYSA-N
-026EB08A8017F596_25E069D42CD2A5C5_6038_DP,OC(=O)[C@H]1C[C@H](CC1)NC(C2CC(C(OC)=O)(C)C2)=O,RWQCHGGQWYVAHT-LISWRGBSSA-N
-02769A1DA36247FB_3834EC42CA4FF528_6038_UN,CC1=C(C=C(C(=C1)OC(=O)C2=CC=CN3CCCN=C23)[N](=O)=O)[S](=O)(=O)Cl,XBIADEGCYNBYSB-UHFFFAOYSA-N
-027C5E6566B64884_F1127A3376359A48_6029_UN,CC1C4=C(N(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C=CC=C4,IEUMWYAESBMXCH-UHFFFAOYSA-N
-02AAC9D3837AF869_528C8C2741EF5A82_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C([NH]N=C3C)C,VEZHCHJAOZUOIH-UHFFFAOYSA-N
-0323527B5DA928BB_3A982BDAD00C9C58_6034_DP,SCCN1C=C(C#N)C(=O)N(C1=O)CC2CNCCNC2,BQGOITZJVUJILI-UHFFFAOYSA-N
-041CCE7F12F2BC43_DBA3FCC48FAC2F07_6003_DP,CC1=C(C=CC=C1)C3(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CCNCC3,BWKVCXRVJIGDBJ-UHFFFAOYSA-N
-0431841D8AFBA6AE_6D1184E577D27FC5_6035_UN,O(C3COCC2=NC1=C(C=CC=C1)[N]2C3)C5=C(C=C4C(=CC(OC4=C5)=O)C6=CC=CC=C6)Cl,IBLXWJWUNRYTLH-UHFFFAOYSA-N
-04BF10A3DF25ACFE_6A84DABED0A2BE9F_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N4CC(C3=CC=CC(=C3)C)(CC4)F,CTDCZIYEGJRFFX-UHFFFAOYSA-N
-054E293F07EEBEF9_1DDC3D514753A503_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C3(C(C)=O)CC3)C=C4)(=O)=O)C=CC=C5,OLGMPHMTKLLJEZ-UHFFFAOYSA-N
-06D3985C802D9BB6_3861BF46E05497DB_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC2=CC(=C(C=C2)F)[N]3N=NN=C3C4CC4)F,RRVPGYYXJHVFDE-UHFFFAOYSA-N
-08DA50A881D34284_8B3D7957C3B768E3_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O)C=CC=C4,VKNLSWGJVVELNK-UHFFFAOYSA-N
-08E2FCDB647FFA93_B95EE00AC6F170FD_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C3=CC=CC(=C3)CN4CCCC4C)(=O)=O)C=CC=C5,NQHXUAKIHGWHLS-UHFFFAOYSA-N
-09E64C1BDB390412_80EAFAF3589CAB67_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)N4C3=C(C=CC(=C3CCC4)C)F,AGXZCJZMJAPDNU-UHFFFAOYSA-N
-0AA7638E4DB7C028_955A098176A0A019_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCC(CN(C)C)CC3,DIZJOKXWUFFTOT-UHFFFAOYSA-N
-0BD5015CB4D9CF91_33DC4A9CCED7BEB3_6028_UN,C1C=C(CN1[S](C2=C(OC)C=CC=C2Br)(=O)=O)C3=CC=CC=C3,SJAWQHPWUXJFAT-UHFFFAOYSA-N
-0BE23F134593A5A9_73BEF51080E69D50_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2CCOC3=C2C=C(C=C3)F,YRHCCRLAEFYWSW-UHFFFAOYSA-N
-0C3531C2C83F0FFA_1E03B260C0EF0FD1_6029_UN,CC1C4=C(N(CC1)[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C=CC=C4,HNMYGHZNBNEXMK-UHFFFAOYSA-N
-0C9A2FA1599886FD_EDD2AB86B89546F8_6029_UN,OCC1(CCN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,KVHZXILKEJEGBH-UHFFFAOYSA-N
-0D6D183F405C8799_97A8307E2C17E947_6038_UN,CN(C)C1=CC(=CC(=C1)OC(=O)C2=CC=CN3C2=NCC3)N(C)C,MLYISCOCEBYCOH-UHFFFAOYSA-N
-0DEC39001A46FE07_277632A244EA46A6_6041_UN,CN(C)C1=NC3=C(C(=N1)NC(C)C2COC2)C=CC=C3,DMAIWJOFZHDDJD-UHFFFAOYSA-N
-0F6CE9FA7038CBF0_0B6CFD53C5DDE520_6038_DP,OC(=O)[C@H]3C[C@H](NC(CC12CC(C(OC)=O)(C1)C2)=O)C3,ZMZJJXKLWFYWJK-HFUZACQFSA-N
-12688DFCFF0BED56_B3095D8BE0BCD91C_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC4=C(C2=NN=N[N]2[C@@H]3C[C@H]3C)C=CC=C4C)F,PHXQUYIKIBAQRP-UKRRQHHQSA-N
-127EC513DAFC3DB1_61271D3F331408E7_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@H]2COCCC2)C=CC=C3,LWNRLLAGWFWGIM-LLVKDONJSA-N
-140B492B6B719C5D_856FD2809EFCA575_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CCC4,QYKBOORGRBNTTL-UHFFFAOYSA-N
-1569802B9ED47645_7D3FD6C54AC158EB_6038_DP,CC[C@H](NC(C[C@@H]1C[C@H](CN1)F)=O)C(=O)OC2CCCCC2,VBFDPUMPFJTVQF-DYEKYZERSA-N
-15ABF86A1D069741_388E8CA45CA29945_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3[N](=O)=O)N(C)C)(=O)=O,FXPBUIPIIWUXHG-UHFFFAOYSA-N
-15F408ABF9FE0A95_1E5798EBBFD59F02_6028_UN,N(CC1=CCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,KUCVVIQYQBOTCD-UHFFFAOYSA-N
-170BBB2A938C6C0D_B2D8D21B4BBA53CD_6035_UN,CC1=C(C(=CC=C1)C2(CCNCC2)OC3=C(C[S](C)(=O)=O)C=CC=C3)C,CVRRJYSUCOVEIB-UHFFFAOYSA-N
-18760AAF4C4D6A22_1C4EBD5D21480B75_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](C(C)(C)C)C(=O)O,GRKFMKXSUZBCHL-GFCCVEGCSA-N
-1908F9A41C39D857_5F778138A23D1A47_6028_UN,C2C[C](=[CH]C1=CC=CC=C1)CC[N]2[S](C3=C(OC)C=CC(=C3)Br)(=O)=O,QTLOJJCJWDYMAX-UHFFFAOYSA-N
-19BA2A7BF0C22F11_B6C9C0F3B9AC8ABE_6035_UN,NC2CCC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(CC2)C3=CC(=CC=C3)F,IRABTEABAYHZTH-UHFFFAOYSA-N
-1A86969F86852433_2DBC71254825C8B9_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCCC1CC)=O)C2(C)C,OEDKXSKAZFQAEJ-SHWKFHJASA-N
-1B40D9643F5589A9_ECD94D9257D97DCE_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=CSC5=CC=CC(=C45)O)(=O)=O,HTQJROTYVMHQCB-UHFFFAOYSA-N
-1B73AA9292AB4B3F_EF68CAA2F8E8F1F5_6038_DP,COC(=O)[C@H]1C[C@@H](C=CC1)NC(C23CC(C(O)=O)(C2)C3)=O,DHAVPNJHPXGIGT-OAAXVMEWSA-N
-1F650C5F85B6F17C_F1DD0696D55275AF_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N4CC5=C(C3(CCCC3)C4)C=CC=C5,XMLQDBUIXKBNET-UHFFFAOYSA-N
-2164068F77D40436_1B3B5374C5447B24_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(C=N[N]3C)Cl,CFPXLDIUHOCLDN-UHFFFAOYSA-N
-219AFFB3C0442063_37CEEB8E3138678B_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NCC3(C[S](C)(=O)=O)CC3,VEPDHLFNFWVKQM-UHFFFAOYSA-N
-223EDBCE762877BA_14788396863408EC_6038_DP,CC[C@H](NC(C(=C1CNC1)F)=O)C(=O)OC2CCCCC2,IWSFHRCAUOQYLV-LBPRGKRZSA-N
-22F90A97F2F7CA6A_32477FAA88AB49EA_6006_UN,O=[N](=O)C1=CC=C(S1)C3=C2OC4=C(C2=CC=C3)C=CC=C4,SYNDNGCCGASMEV-UHFFFAOYSA-N
-23CC1F6D3C655660_342A1C197C1C665A_6009_UN,CN1C(=O)C=C(C1=O)C3CC(NN(CC2=CC=C(OC)C=C2)C3=O)=O,IYDCSZYBHAFRHD-UHFFFAOYSA-N
-23E5928941C0D267_0A2283D9FBEE832D_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)F)CC4,VFWRLGUEFMVOGY-UHFFFAOYSA-N
-23E78F599A0D5AA3_D01B4ED1DBF43406_6038_UN,CC(OC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[NH]3,UYUMLKVUPORRPJ-UHFFFAOYSA-N
-25C278FA03A4AA57_29AA43FB9BDBE5B9_6038_UN,O([C@@H]1CCC[C@H]1C#N)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,GSOWGCPDOXTISC-VSSHJHLJSA-N
-25C8ACE92F9DAD22_AC8F0D86B86221CA_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2OCCO2)N4CC(C3=CC=CC(=C3)F)C4,CNZPKAODBDZVMI-UHFFFAOYSA-N
-2668FA233177B71B_72B61B083D098012_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)F)=O,VSJPMDLPYUDZHD-UHFFFAOYSA-N
-2693AA58EB14B97F_10EBFDDC0FC36F4D_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N4CCC(C3=CC(=CC(=C3)C)C)CC4,PBZLNVUOHLQBSE-UHFFFAOYSA-N
-26D3A69D51D59C90_104E3EE595EC540E_6041_UN,FC2=C1C=CC=CC1=NC=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,AVHLKVIBWFYIIH-UHFFFAOYSA-N
-27C529A9FEEF584A_8400F5DCF81E1FAB_6038_UN,COCC13CC(C1)(CNC([C@@H]2CCCN2C(N)=O)=O)OC3,ZYNWXKXHZQJZCH-FNBIGBAISA-N
-27EF45283757C15C_96892E4A1A89A900_6041_UN,C1(=CC=C(C=C1)OC2CCC2)NC3=C(OC)C=CC(=C3)C[S](=O)(=O)C,VYQKMYGZTNYDSX-UHFFFAOYSA-N
-280A82C3026613A3_7AB0569E42B35057_6029_UN,CN1CCN(C2=C1C=CC=C2F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,UNAGWGNTUYVVJE-UHFFFAOYSA-N
-28BC35D23E4F2FB1_723464E7CAFD645E_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(C=CC(=C2)OC)C,DTLCMEQVYHKWNN-UHFFFAOYSA-N
-28D5A16B46B57BE0_361353A70D24C665_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C)C=C(C=C3)O,IGNSVXRIMFNOLG-UHFFFAOYSA-N
-295CDEC8C7ECE10F_42333D3A76099F86_6041_UN,OC(=O)CC1=CC(=C(C=C1)NC2=CCOC2=O)[N](=O)=O,JYUZKLBCJXXNMA-UHFFFAOYSA-N
-2966FC0EF33FA482_DC37C806ADC05986_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3=CC(=C(OC)C=C3)C,MJPVIOUYDSDNON-UHFFFAOYSA-N
-29C5E2A1A86D43F4_B68093D2D39FB23D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,YKTBWDYKDTXNRE-HDICACEKSA-N
-2AB925A9AEDC9E16_4C950322F30E3107_7022_UN,COC1=C(C=C(C=C1C)C)NC2C3=C(OC2)C=CC=C3,FTLHPAOEPVHPTD-UHFFFAOYSA-N
-2B49CBF4002F18A2_2119A749D1551D6F_6026_UN,ClC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N3CC(C3)C4=N[N]5C(=C4)CCCC5,CNTXFKBHGXVQRG-UHFFFAOYSA-N
-2C4794E046960B49_804A8300405CA22F_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)[S](=O)(=O)Cl)C)(=O)=O)C3=NN=CC=N3,WDMIRERGMCQDNX-UHFFFAOYSA-N
-2CB8CEFF9008FE3E_155376F9F6E36A29_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=C(SC)C=CC(=C3)F,GQVMREBQBBRRTM-UHFFFAOYSA-N
-2D0D7369C8017F1E_286ADF3D196EE438_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(OC)C(=CC=C3)Br,WFSRHEBLVHENAA-UHFFFAOYSA-N
-2E2FB1AA974226FC_4431A5A5469DEF07_6034_UN,BrC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC4CO[S](=O)O4)=O,QTUOVGSNPOXYCF-UHFFFAOYSA-N
-2ED60357AC3EA6CD_70E84693E3859B74_6038_UN,CCOC(=O)C1=C(C)[N](CC)C2=C1C=C(C=C2)OC(=O)CCC3=N[NH]N=N3,DZUVMXNSGPETCI-UHFFFAOYSA-N
-2EEA845FC85E7CD4_F83A96A480F12E59_6041_UN,CN1N=CCC2=C1N=CN=C2NC3C4=C(OC3)C=CC=C4,OQYJHHSVZZRWQO-UHFFFAOYSA-N
-2EF89D95057EB439_E5E8ACD54BC087FA_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCCC2)N4CC(C3=CC=CC(=C3)C)(CC4)F,FPMCYCBMEBLCIP-UHFFFAOYSA-N
-2F77181A74B62214_1A0523AE6580DC76_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C#N)C=CC=C3)CC4)Cl,JEAYXWIGQMRMEZ-UHFFFAOYSA-N
-2FB970AE3AA5528E_9014265C00A48075_6035_UN,CC1=C(C1COC2=C(C=C(C=C2)Br)C3=N[NH]N=N3)[Si](C)(C)C,IWONSIZWBWLSET-UHFFFAOYSA-N
-3002AB25FAC2BBD0_1D9589367C338E76_6041_UN,CC1=CSC2=C1C=CC=C2NC4CC3=NNC(N3CC4)=O,LYSKJXILUPVWTF-UHFFFAOYSA-N
-3145A165849D91C0_E3C6F885D856A57F_6028_UN,C1CC(CCN1[S](C3=NC=C(C2=CC=C(C=C2)Cl)[N]3C4=CC=CC=C4)(=O)=O)C5=CSC=N5,CFKIQHYDAVTSLM-UHFFFAOYSA-N
-314C36B2EF5067B4_76334EA542BF122E_6029_UN,N#CC1=CC(=NC=C1)N2CCN(CC2)[S](C3=C[N](C)C4=C3N=CC=C4)(=O)=O,YULJGFLCVJOGLL-UHFFFAOYSA-N
-32C493564831CC49_2A5107D2893738F5_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,UTJCLXHQYSGOJC-OAHLLOKOSA-N
-32EFB5F9D4EB9F4C_3A96F9F6ABEFCB65_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,BWESVAANSRAOOZ-OKILXGFUSA-N
-33093E724127C2AF_F4721981D41E2FCB_6035_UN,O(CC1CN2CCC1CC2)C3=C(C=C(C(=C3Cl)OC)Cl)Cl,RIVVJZHDOIJMJU-UHFFFAOYSA-N
-33C2C1E875E40702_A59CEC47F243698A_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,OSNNAQKKELYFQH-FZNQNYSPSA-N
-33FD8E78CF5E498F_49B97D409CAB1D98_6041_UN,OC(=O)C1CC(=NO1)C2=CC=C(S2)NC3=C([N](C)N=C3)C#N,HXTYDQYHMPOLFC-UHFFFAOYSA-N
-3423F66E1B90DBFF_E17B9DC3BA77419B_6041_DP,C[C@H](N=C=O)C1=CC=C(C=C1)NC24CC(OC23CNC3)(C)C4,MSWZUAYGZMGGNX-JQRITLKVSA-N
-34404BD58CBC716F_59EF826B57676FA5_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)N(C)C,OQYCOFRORMCPLG-UHFFFAOYSA-N
-35CA91A84FFB14B5_1C43F0ACC30B5E34_6038_UN,N([C@@H]1C[C@@H](C1)CC#N)C(C34CC2(CC(CC(C)(C2)C3)C4)F)=O,YFCXIJXPVFKJCO-YPWMIBEHSA-N
-35E8A93C53BD3FB6_428BD251AF4CF935_6038_DP,OC(=O)[C@H]3C[C@@H](NC(CC12CC(C(OC)=O)(C1)C2)=O)C3,ZMZJJXKLWFYWJK-QUJNKJAPSA-N
-36404EFA01620F89_5088E388B86B97C3_6006_UN,CN1CCNC2=C1N=CN=C2C4=C3OC=CC3=CC=C4F,WOVYPAMRQPKSJH-UHFFFAOYSA-N
-37795DC24AE09D60_06BB43FCBBA36D7F_6039_UN,NC(=O)N1CCC[C@H]1COCC2=C(SN=C2OC)OC,HDOOCMPXSATRJW-QMMMGPOBSA-N
-37959C48B53D3C12_2350D387E402B02B_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5(C4=NN=C(C)[NH]4)CC5,NOTSNAKICCMIEU-UHFFFAOYSA-N
-3813B5E443868B71_27335C2BA81016E3_6038_DP,CCC(COC(C2[C@H]1CCCC[C@H]1CN2)=O)C(=O)OC,WUSZAZXGYDJUTA-ZFQMDJOTSA-N
-38981E8ACBAFFE5A_3C25367A4FF68120_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=NN=C(O3)C4=CC=CS4,AVTRHGJUCSYUPY-UHFFFAOYSA-N
-38BFB46D9C52F26D_D3E743EE04CB2B92_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C=CC(=C3)OC)O,MLEQOVPDAXORST-UHFFFAOYSA-N
-391E63893D69EC3B_A7041CDD6907B67C_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC4(C3=C(C)C=CC=C3)CCCCC4,SBVQJUDHCDIBSY-UHFFFAOYSA-N
-3935FA64191EFD38_31C77285C19EA8A4_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CC4=C(C=C3)OCC4,LEODKZDWEUJWLD-UHFFFAOYSA-N
-3A41B4DCAE64ECDA_303C8D2DF872CF60_6038_DP,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C([C@H]4C[C@H](CN4)N=[N]#N)=O,VLFRJHLYNKXAEF-ZIAGYGMSSA-N
-3A45AE5DAF5939DA_D6E08154398BD58D_6034_UN,CCC1(CC)CC(=O)N(C1=O)CC2=C(C(OC)=O)SC=C2,GALKXNCEBJVPLV-UHFFFAOYSA-N
-3B17FB584263F9BF_91D24EF957529885_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=CC(=C(OC)C=C3)Cl,YJXAZMZFAFDTKX-UHFFFAOYSA-N
-3D6410F4C545B4D0_EDC550C28989CEDE_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=CC=C(OC)C=C3)CCCCC4,DNAPJBMVQTWYTC-UHFFFAOYSA-N
-3D645C6C1F877819_3C6C10C6A70B8434_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(OC)C=C(C=C3)F,UDLIISJRIZZQGE-UHFFFAOYSA-N
-3DE363233C575768_E4461BF8AF6878DB_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]3[C@H]2COC[C@H]2C3)C=CC=C4,FUVBBAIXSDEBLG-SCDSUCTJSA-N
-3E1801932CC25A2A_7193754542E315D4_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(OC)C=C(C=C3)Cl,QTLGDFQZAWMUPD-UHFFFAOYSA-N
-3EBB3F082A528EB9_11282BA0983CE7C0_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=CC=C2OC,YNCNMWHBBOWZPN-UHFFFAOYSA-N
-3F173D18E2D54D41_F596BF7ABF2EC07E_6039_UN,CN3CC1=C(C=C(C=C1)COCC2=C(C)C=CC(=C2)[S](=O)(=O)F)C3,MYABYCPWQFOYPY-UHFFFAOYSA-N
-4144C7836BBAA982_DB9B7F586BE73CB6_6031_UN,CN2CC(=O)N(CC(=O)OCC1=C(C(OC)=O)SC=C1)C2=O,PTUCTHYYMHJHAD-UHFFFAOYSA-N
-41CFDFB596D1BECD_35566F512FCAD0B9_6038_UN,C[C@@H](OC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]C(=N3)C,GRZCYWVQZBYWDE-LLVKDONJSA-N
-41FBD5273D32AAB3_97A02243D888A41D_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)Cl)=O,JMXGYYBBSDAYHV-UHFFFAOYSA-N
-4212210C622FBE96_4009501449BFCE8E_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NC45CCN(CC4)CC5,SMGJNQPVWZAJJE-SHACYNPGSA-N
-4448DB954ACFC1EE_ED87B521E41037E3_6028_UN,N(CCC1=CC=C(C=C1)N2CCCCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,DQSRYYUFWGFLTF-UHFFFAOYSA-N
-4518A47B4E893F40_C583508B714BB69B_6041_UN,FC1=C(C2=C(C=C1)OCO2)NC3=C(N(C)C)N=C(N=C3)N4CCOCC4,RBYDWTQFFPRSKA-UHFFFAOYSA-N
-457701D702CB333D_A4E3EF316CC9501F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCC(N(C)C)(C)CC3,BIRAYVFPIBARHC-UHFFFAOYSA-N
-461EC11AA661953F_C1D5753A0E7BDB77_6038_DP,CCC(=C(N=O)C(=O)OC)OC([C@H]1[C@@H](CNC1)C2CC2)=O,AKQNKEUCBGVWTL-VHSXEESVSA-N
-4639548CB0F79E5E_D937451C9C4AD5A6_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=NC=C(F)C=N3)CC4,UPJOYVWXKNMZIU-UHFFFAOYSA-N
-46BFE9C7398C52FD_3997C80E415F536B_6034_UN,C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4=CC=C([S](C)(=O)=O)C=C4,WLHHHNQEAQATAB-UHFFFAOYSA-N
-46C10463E804B87F_1BDF88CB7D571D9B_6038_UN,O(C2CN(CC1=CC=C(C=C1)F)C2)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,ARFODECCBBHUPG-UHFFFAOYSA-N
-47C9EECBBEAEA58C_C1592168B0A9DF21_6039_UN,CCC(OCC(NC1=C(C(OC)=O)SC=C1)=O)(CC)C#N,LRGGDRFNOBQUGB-UHFFFAOYSA-N
-4829250CA7FA97DD_1794FF32F2AF42F9_6034_UN,CC1=C(C#N)C(=O)N(C(=O)N1C)CC2CNC(=NO2)C3=CC=CC=C3,UKQJJXHQYSYZJL-UHFFFAOYSA-N
-484967F5568BB38D_18E732A5871F84B1_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC3C2=C(C(=C(C)C=C2)C)OC3,SLKDLQHDCCGZON-UHFFFAOYSA-N
-48AD7DD76F6731A4_48C50040397E2EC7_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCC(C)=C,UVMGWGKFQLVDGH-UHFFFAOYSA-N
-49A7EF0442E52B8C_5A5530DBFBE739AE_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CSC)C(=O)O,BLPCRBMSQACIBL-UHFFFAOYSA-N
-49C9AA449086248D_D0CDE54A47FCDBC4_6038_DP,CCOC(=O)C3=CCC(NC([C@@H]1C[C@H]1C2CCNCC2)=O)C3,TVRMBTHYMYLOKX-NOYMGPGASA-N
-4BCAB5712E86E3F6_588FB2FE7EEFE625_6029_UN,CC1OC4=C(CN(C1)[S](C2=CC=C(C=C2)C3(CCCCC3)C#N)(=O)=O)C=CC=C4,MHELGZFXLOAXJD-UHFFFAOYSA-N
-4C0C62945D4A9E03_276B5B9264A1C24C_6039_UN,CC2=CN1C(=NCC(C1)OCC(NCCCN(C)C)=O)C=C2,NWZKPBYYBPQAOO-UHFFFAOYSA-N
-4DD32F3A37A9D54B_7C61499C6521CDCF_6038_UN,N(CC1=C[N](=CC=C1)=O)C(CCC2=NN=C3[N]2N=C(OC)C=C3)=O,BYJYLPGCPNGROW-UHFFFAOYSA-N
-4DDA8E3E87E67360_4DBB1814E4DC66CD_6028_UN,C1CC2(CC1)C5=C(CN(C2)[S](C3=NC=C[N]3C4=C(C(C)C)C=CC=C4)(=O)=O)C=CC=C5,WDDURNZSWKAKJN-UHFFFAOYSA-N
-4F044D96823C8612_50A5DCA75D49A1EA_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CCN(C)C)C(=O)O,PMJLTHHZRQJIGE-UHFFFAOYSA-N
-4F6CF9D50192F991_7DDD525056C368CF_6026_UN,FC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N3CC(C3)C4=N[N]5C(=C4)CCCC5,YTZHGYLLQTYRAC-UHFFFAOYSA-N
-4FA3E3590979E6DC_316173AC4803E75F_6038_DP,CC[C@H](NC([C@@H]2C[C@H]1C[C@H]1N2)=O)C(=O)OC3CCCCC3,FEXIRGOWELVMKT-CABNGKKXSA-N
-503D706019CBB52F_49FD35D36B56F1C2_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=CC(=C2OC)C,UAYKEMMDMWXJMG-UHFFFAOYSA-N
-5041098A216E9C18_4DCC5D5E8E749E42_6038_UN,CCC(NC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)C3=NN=N[NH]3,RTELTJKFWWYOAV-UHFFFAOYSA-N
-5048C6648A57B8F6_39C78C718E760583_6036_UN,C(C1=CC=C(C=C1)C#CI)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,CKANPIZFCXWYJJ-UHFFFAOYSA-N
-504F762E09685819_46C283F78C3FF8C9_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(C)(C)C)CC(=O)O,DHPPHXYTZPRIGU-LBPRGKRZSA-N
-51A3F7C8366890B2_33648F2D67F164FB_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2C(C)SCC2)C=CC=C3,NCJGXNFSSIGUAW-UHFFFAOYSA-N
-52012516F0139ED9_ED97198D4F2AFEB9_6004_UN,N[S](=O)(=O)C1=C(N=C(C=C1)C2=C(C=CC=C2)CN3CCCCC3)F,WIMAJSHKACXUGC-UHFFFAOYSA-N
-535E8100F750F0DC_3BAA9D74226BA5E4_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,IFHVYMHWNCNOSV-UHFFFAOYSA-N
-53BF642128B8CC25_68CDBC3FF6BF3048_6041_UN,O=[N](=O)C1=C(SC=C1)NC2=CC(=C(OC)C=C2)N3CCOC3=O,UTSXQCXWKYHTPR-UHFFFAOYSA-N
-5513D3E7F863E8C5_120DCC0C1591D957_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)C=CC=C4,XWBQDOJAJHWFJN-INIZCTEOSA-N
-551D4F751272F518_9B562D44C79BA116_6038_UN,COC1=C(C=CC(=N1)C)OC(C34CC2(CC(CC(C)(C2)C3)(C)C4)C)=O,YSWBWRDXCHPFQA-UHFFFAOYSA-N
-555B7A788D05D12F_FFDA1A7D3FC62A7A_6038_DP,COC(=O)[C@@H]1CCC[C@@H]1NC(C23CC(C(O)=O)(C2)C3)=O,VMYYUSNEPAXGRS-CYGFXYRSSA-N
-569323BDACB72B40_67033381655917CC_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)OC3CCCCC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,PQQROPZMFHYEPJ-UHFFFAOYSA-N
-56F0ED2DD191BAFC_0DFC85EF625DEC35_6034_UN,CC1=C(C(=C(C(N1CCC2CCC(C)CC2)=O)C)Br)C,DOZCPUXWLZPDQO-UHFFFAOYSA-N
-571537FDD404B7E5_AB3012F43A348B4B_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C4=C3OC5=C(C3=CC=C4)C=CC=C5,VWPQRHFXKCBLKX-UHFFFAOYSA-N
-5896AE999996107C_5894D10260F1675C_7022_UN,C1(=CC(=CC(=C1)Cl)C#N)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O,XZNQPRAWQBZFBA-UHFFFAOYSA-N
-5978E03BFF0464C0_1C7BA223BFF2D09D_6041_UN,CN(C)C1=NC(=NS1)N[C@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F,JPOMPVDNXKKGIE-CYBMUJFWSA-N
-5A1A20F864467C81_3D389267963DE7BD_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3N(C)C(OC3)=O)=O,OECPWPUOFZGOSM-UHFFFAOYSA-N
-5B2B490B3D668576_76DF8BE43732A7F3_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCC(C)CC1)=O)C2(C)C,PMWKSISEOAJSDR-WUCCLRPBSA-N
-5C0E80E8A1838669_BCC5D996894DB901_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=CC(=C2OC)C,LQMKBMQGKXEPLZ-UHFFFAOYSA-N
-5E492FAEF309FB05_6A30A15B38073DF9_6028_UN,ClC1=C2C(=CC=N1)CCN(C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,DLGNOEGCPWMWSD-ZDUSSCGKSA-N
-5ECA6566CFADBF93_A00B364FE16E7B96_6038_UN,C[N]1C=CN=C1CN2C[C@@H](F)C[C@H]2CNC(C3=N[NH]C(=C3)C4=C[N](C)N=C4)=O,AANVFDJQNRZSMX-KBPBESRZSA-N
-5EDDDA7DBD6FA180_A57251914A6F0759_6027_UN,N(CC1(CC(F)F)CCC1)[S](C2=CC=CC(=C2)CC)(=O)=O,OGOVGWMGTMCLTD-UHFFFAOYSA-N
-5FB625FF32832BE8_C58055B42761C480_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)[N+]#[C-])(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,NJRYBOSYRRNJIE-UHFFFAOYSA-N
-60C3073BEF173E2A_AB4D5CA5C8D12383_6038_UN,C[C@H]1[C@@H](C1)[C@H]2[C@@H](C2)NC(CC34CC(C(OC)=O)(C3)C4)=O,PSTFAFCFTXWLPO-YGSJDNFKSA-N
-619AFC5FBE3064BE_4FD51BBBE08F5DF1_6026_UN,CC(C)C1=CC(=CC=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,DAAARVHRVPGJJK-UHFFFAOYSA-N
-62A3384BFD751AE0_66931E2CD55D5B07_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O)C,LCIPZSHKMTVGQH-LLVKDONJSA-N
-638E2109017E1DAB_4DEBD6F46EA8D728_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3OC(C)(CNC3)C,FWWBNVNCWDSNQA-GFCCVEGCSA-N
-6392112DEC829337_59CDE8E1356D5643_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)C)CC3,CHMPMENWRRSHFA-UHFFFAOYSA-N
-63ABB1610D4BE65C_3E7077D5C780D186_6031_UN,CC1=NN=N[N]1CC(=O)OCC2=CN=C(N(C)C)C=C2,TVUYCYXWZZPFMI-UHFFFAOYSA-N
-64C454CC174EE7D6_DB4347B6AD8E97BE_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NC3=CC=CC4=NSN=C34)C5,MHQLEMYNXRWZII-UHFFFAOYSA-N
-64F1CC85AE026837_8A1BCAADB02932FE_6026_UN,FC1(F)CC1C2=CC=C(C=C2)[S](=O)(=O)NCC3(C(C)C)CC3,QKRBZLSFAVKIJX-UHFFFAOYSA-N
-657A318EF8BD4898_CB41CC2287B29679_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OC)F,ASCCPLMNQKWZFA-UHFFFAOYSA-N
-65C7E95A49549E09_6CA1CED444926A54_6028_UN,N(CCC1CCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,XNWSXRCLOZNKMQ-UHFFFAOYSA-N
-665C57A95B5C7102_C255673DD6DAA3D9_6034_DP,BrC1=CN=C(N(C1=O)C[C@@H](N)C2=CC=CC=C2)C3CC3,CXUBWIDKDJBMPJ-CYBMUJFWSA-N
-66E41E57E84FE386_C4FBCA0518F8FF55_6038_UN,CCCC(NC(C1=C(C=C(N(C)C)C=C1)C)=O)C2=NN=N[NH]2,JOAICNULWAOCOS-UHFFFAOYSA-N
-6701CB030B3C4F51_04EE8F7475FAE586_6038_UN,N([C@@H]1C[C@H](C1)CC#N)C(C34CC2(CC(CC(C)(C2)C3)C4)F)=O,YFCXIJXPVFKJCO-KUKSSVLGSA-N
-682AEB40E1233E57_74ED97E119D06F7B_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C3=CC4=C(C=C3)OC5=C4C=CC=C5,QDQWTWCAOWECEJ-UHFFFAOYSA-N
-6867FD357B0E7926_238E174752A1DA76_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OC)O,ZYGRKYMIAXNZDH-UHFFFAOYSA-N
-68A51135A260414B_7F4E88939D8490D5_6041_UN,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC(C)(C)C2=NN=N[NH]2,SZUYICKZPIZCGI-UHFFFAOYSA-N
-69FF02BEB1B3E300_CBFAC718F0F2FECC_6041_UN,FC2=C1C=CC=CC1=NC=C2NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,UVCBWNTXEURQJU-UHFFFAOYSA-N
-6A50352A8243D879_688A221AD1D19E55_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC=C3)CC4,SFMACECTPUGKFF-UHFFFAOYSA-N
-6AEAA24E23E5EDAE_2E51217F311C8FAF_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4CCC(C3=CC=C(C)C=C3)CC4,CRDMIWXCNGGDGP-UHFFFAOYSA-N
-6E52F68F9B23CE21_F2BEAF1EAE97DD79_6038_DP,CSCC[C@H](NC(C12CNC(CC1)CC2)=O)C(=O)NO,RCTPRPYVYGUNNQ-QUNCOHTASA-N
-6F1B7A54807AD5DD_13FDF0D4EBA16B5F_6034_UN,C=C1CCC(=O)N(C1=O)CC2=C(CCN(C)C)C=CC=C2,LXFSHXGEKQSBBP-UHFFFAOYSA-N
-722AAF33E6388DC3_DF7B8FB18ED1ECA9_6039_UN,CCC(OCC(NC1=C(C(OC)=O)SC=C1)=O)(CC)C#C,BQXPWJFIPYLKCX-UHFFFAOYSA-N
-7287F09E4848C7C3_50C786CE4AC2AF57_6038_DP,CC[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)CC(=O)OC,RCRNAGOVLRYGCD-RWMBFGLXSA-N
-754BD22184BB9CD7_0097D15806252DFA_6029_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,WKTODXZXZARKGR-AWEZNQCLSA-N
-75B78C0E461B9E58_37378985C815346E_6029_UN,CC1OC4=C(CN(C1)[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C=CC=C4,FVKGYGWOLVWSDS-UHFFFAOYSA-N
-76D715C1C2D93D9C_B83C0CE3E7538CC8_6029_UN,N(CC1CCN(CC1)C2CC2)[S](C3=CC=CC(=C3)C(O)C4=CC(=CC=C4)F)(=O)=O,LILGQBVFYPTSJD-UHFFFAOYSA-N
-7739D0CB8CC9C0D7_857B1D5AB40502B5_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C4=C3C=C(C)C=C4)C5CC5,JOAKWRGVFZNFHI-UHFFFAOYSA-N
-778917F0272AC17D_0EF951D01957EC30_6041_UN,CN1CCC[C@H]1C2=CN=C(C=C2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,UDUVOXIBSCPYDS-DJNXLDHESA-N
-7802A4EE8DB6C0B3_8A3C47067832967C_6028_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=C([N](=O)=O)C=C3F)F)(=O)=O,RORNNOSLRWZFTE-UHFFFAOYSA-N
-78C4C86F4BB0E075_BA68FD918C6AF494_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(CC)CC)C(=O)O,LOXQMDSDRXQQRY-UHFFFAOYSA-N
-7A2DDEA314902F44_86D552586FE6A708_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCC4)C5=NN=C[NH]5,CJCHQCRNFSPLEW-UHFFFAOYSA-N
-7B578F6978F4082F_B4472713F0F1880C_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CC=C3)N=[N]#N,OFUBYQJZLOQSDU-UHFFFAOYSA-N
-7BA0E70BB916813E_3074067A81949643_6038_UN,CN(C)C(=O)C[N]3C=C(NC(=O)C1=CC=CN2CCCN=C12)C=N3,YGMVVWOWMHGIAQ-UHFFFAOYSA-N
-7BC6816310D9D774_AFF7DF33830245A6_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NC3CCOC4=C3C=C(C=C4)F,AEYIQANVYBHHGD-UHFFFAOYSA-N
-7C42E72BE027C2D1_59E903DF220F092A_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(CC2=C(F)C=CC=C2)CC3)C,MUFHKFHJXXKMGK-UHFFFAOYSA-N
-7CECB33B94BC4ACF_789619025F0EA93E_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2OC)F,HOAIMVCAYIKKAB-UHFFFAOYSA-N
-7D5CC4A3B697ED47_6670CE296AB4D9F4_6038_DP,N1CC2(C1)C3(CC(O2)(C3)CNC([C@H]4C[C@@H]4COC)=O)C(=O)N,YGSPZQLVZKCGKW-JZNMGUDDSA-N
-7E8756B7F3CFF8D3_EE07329C159D0368_6038_UN,CC(NC(=O)C2=CN1C(=NCC1)C=C2)C(C)(C)CN(C)C,BPAYRSBOGIGGRP-UHFFFAOYSA-N
-7F2112D669FFEED6_B5D8A76870894587_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)C3=CC(=CC=C3)C4CCC4,OTHOTQRBDHAGEP-UHFFFAOYSA-N
-7FC83168ED10F9E1_61C087A09F3A75DD_6028_UN,C2C[C](=[CH]C1=CC=CC=C1)CC[N]2[S](C3=C(OC)C=CC=C3Cl)(=O)=O,QLJARKVGEIRCBD-UHFFFAOYSA-N
-7FF108B10E335C98_0EB0ED0057EE4C6F_7022_UN,C2(=C1CCOC1=CC=C2)NC3=CC=C(C[S](C)(=O)=O)C=C3,GYLNJOMSKJSCQB-UHFFFAOYSA-N
-800A958D6EBD6EAB_754F310710C47DA1_6038_UN,O(C1CC2CCC1CC2)C(CC34CC(C(OC)=O)(C3)C4)=O,NICJNHVHTRKCIV-UHFFFAOYSA-N
-80315C4D08BDD6F3_D8F9BE00A29EC69D_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,MGOGLHYZNCTNRN-UHFFFAOYSA-N
-803923D666DE73FF_5CDAD37717EDEA25_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NC3CCC(C[S](C)(=O)=O)CC3,BYRHOQPLJBZEKH-UHFFFAOYSA-N
-808396CB18EBE698_95D6BE3FEFCD864A_6041_UN,CN(C)C(=O)C[N]1C=C(C=N1)NC2=CC=C(C=C2)C3=CSC4=NCCCN34,ZHIFWOCOHXJFPQ-UHFFFAOYSA-N
-818C7887D02E3362_AB98A9E7447C8D02_6038_UN,COC(=O)[C@H]1[C@H](CCCCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,NVJCBZRFFLRWOF-AVCVVPASSA-N
-8252B7F198C68C40_8FF116C1DC658800_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC=C(C)C)C(=O)O,ZGZDQOJEXJYWNK-UHFFFAOYSA-N
-8319D50333E7BB21_27666BE8FBD61734_6035_UN,O(C(C1CCCC1)C2=CC=CC=C2)C3=C(C[S](C)(=O)=O)C=CC=C3,AKBXZYWGAVUTFL-UHFFFAOYSA-N
-831F4AAAD5CAC2D2_399F7C85CE15A27E_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)Cl,PWHNMWHWABDWLU-UHFFFAOYSA-N
-833BED6DBA3294D8_9CB3205457B191AF_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)N3CCC4=C(C(OC)C3)C=CC=C4,NJLFRAHZINUHCI-UHFFFAOYSA-N
-841CD4B803B11844_3B793398FE99EE3B_6041_UN,CC(=O)C1=NC=NC(=C1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,PIQOCMBJKPMQTB-UHFFFAOYSA-N
-85C27864E3AAE069_F6DDA9DF65204C58_6035_UN,O(CCN1C=C(C#N)C(=O)NC1=O)C2=N[NH]C(=C2)CN,HJUUKBPODYFDJA-UHFFFAOYSA-N
-86AB455767E06D90_622B5EE82D52212C_6038_DP,COC(=O)[C@H]1CCC[C@H]1NC(C23CC(C(O)=O)(C2)C3)=O,VMYYUSNEPAXGRS-ZCHJWSHOSA-N
-86E9BAC8CB877C00_1A1ED54777D7D257_6026_UN,CC1=C(C2=C(C=C1)C=CC=N2)[S](=O)(=O)N6CC3(CN(C)CC3C4=NC(=NC=C4)N5CCCC5)C6,HKJFXBCEXRFXCO-UHFFFAOYSA-N
-871FB81BDBEF5C4B_DBCB12F409D083F9_6038_UN,C[C@H](OC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=N[NH]C(=N3)C,GRZCYWVQZBYWDE-NSHDSACASA-N
-884EBDF2F237561E_15A3F7A957D2410C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=C(C)C=C(C=C2)N3CCSCC3)F,YVDUYBMJFTXWND-UHFFFAOYSA-N
-88C63D5A85B0A5F8_F581E34898829D8B_6041_DP,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[C@H]4CNOC4,NLHXIIKBXSXJQN-NSHDSACASA-N
-88CCA907FEBD76A4_DF2F9AC2AEC5CE8D_6034_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)CC3(CCC3)C4CO4)=O)Cl,SDRAGKMUDRPZFI-UHFFFAOYSA-N
-896805C92EB7C165_B51DDE31C7D268B5_6005_UN,O=[N](=O)C1=C(C=CC(=C1)C2=CC3=C(C=C2)C=CC(=C3)O)Cl,WNYQXMMUTCTQBM-UHFFFAOYSA-N
-8AEE985D3E4C73A9_91D69AC7E868989C_6028_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C=CC=C4,WUMIYDFDRMBTQE-UHFFFAOYSA-N
-8AF9D1331C339C07_2A8B3D0627E6FD8D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3C[C@H](C)CCN3,SEJLMDFEKABGDM-PWSUYJOCSA-N
-8B59C868DC91FDE0_9D104EC66F247674_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=CC(=C2OC)OC)F,AQLHNVZMCJJZGO-UHFFFAOYSA-N
-8BA7A0BFE5BEE626_2A208672BC168A99_6034_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)CC3(C(C)C)CCNC3)=O)Cl,BKTWZRFDLPYQIZ-UHFFFAOYSA-N
-8CF8DCE3781EA89A_E195B849D84359C2_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N5CCC3=C(C4=C([N]3C)C(=C(C=C4)Cl)F)C5,SQOCCQGOFSYAIG-UHFFFAOYSA-N
-8D1ACD464118B72D_14AE5742CF8F491D_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC(=C4)F,FIORXVUQXXLSGK-UHFFFAOYSA-N
-8E30423CB66E30FF_CECCE3AB7EFFDEE8_6041_UN,C1(=CC(=CN=C1)C2=NNC(=O)O2)N[C@H]4[C@H]3C[C@]3(C4)C(=O)O,NVJBNKVUTXSJHY-JRKPZEMJSA-N
-8E3EC0C25C46432E_04FAA5168693C9A0_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2O)C,ACIVJOLTFWHOLP-UHFFFAOYSA-N
-8E42C9514F21E6DC_38170F9E20D83C45_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C(=C(OC)C=C2)OC)O,ACZXJQGHNSTLPC-UHFFFAOYSA-N
-8F40724343D8CC5E_EDB9BFB02BDDC0A0_6038_UN,CSCC[C@H](NC(C1=CC(=C(C(OC)=O)O1)C)=O)C2=N[NH]N=N2,ZYGNJRZFMACPLA-QMMMGPOBSA-N
-8F666BA4DE34FB4E_E97A159DDEB927DD_6041_UN,FC2=C1C=CC=CC1=NC=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,LNOYVMJDAORPPZ-UHFFFAOYSA-N
-8FC64214559A4C25_E9002D3A8FE23B7D_6038_UN,O([C@H]1CCCC[C@@H]1CC#N)C(C3C2CCC(CN2C(OC)=O)C3)=O,YLHBTDUPUJZYBG-LXOMYOHXSA-N
-9044663D538A615C_F8EF489A9EF7A6CE_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=C(C)C=C(C=C3)S,NKYGPWSIADCVGV-UHFFFAOYSA-N
-91DBFE7B9078D278_D2E295018EEB4107_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(CC(C)C)N=CC=C3)(=O)=O)C=CC=C4,OHULRPDVKCDRND-UHFFFAOYSA-N
-932C73D78456E092_27B3ADFEE98E617D_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)C)Br,ULUZRSQFROTIMG-UHFFFAOYSA-N
-93418AC3FBC4C8A2_1A05BBEF0920036C_6038_UN,O(C1=CC2=C(C=C1)C(=O)OC2)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,GURPGJHCDJMSJB-UHFFFAOYSA-N
-93B9ACC2E402D858_F59264BE54A1FA47_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C)C(=C3)F)F)(=O)=O,PEBMDQMAYVAEOL-UHFFFAOYSA-N
-942610042A26F1AF_3DC3C85650ED0DA5_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2COCCOC2)C=CC=C3,IWMIKDTUHNTHGA-UHFFFAOYSA-N
-945C00A1D6AF58FA_F84D59272F091D1A_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC(=CC=C2)C#C)(=O)=O,YHSSUVNPLUAKBE-UHFFFAOYSA-N
-953B2178028A573B_B589047AC9CDA031_6029_UN,C1CN(CCN1[S](C2=NN=C(C=C2)I)(=O)=O)C4=C3C=CSC3=CC=N4,IROVOOOBXNWVDO-UHFFFAOYSA-N
-964187E6CCAC697E_075435E65C75A82D_7022_UN,C1(=CC(=CC(=C1)F)F)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,AGIZYVHSUJFWCR-UHFFFAOYSA-N
-970F113BCB105D5E_3A382A4A5EEE58A3_6038_DP,COC(=O)[C@H]1[C@H](CCCCC1)NC(C23CC(C(O)=O)(C2)C3)=O,FZMUCXYKMYUHCA-LKWWYQRQSA-N
-97977C43141C7F5A_71C2B511D4F124EE_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=N[N]3C4CCCCC4,ZFOZMAVGCIPXPG-UHFFFAOYSA-N
-9910F2A9D78F3400_32658A730A243C03_6038_DP,COC(=O)C[C@@H]3C[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)C3(C)C,BMEWPKLJOHWVFD-XQLPTFJDSA-N
-992972DDAB4A4718_F78B10F06A013DC5_6038_UN,N(C1CC(C1)C#N)C(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,LCRHZPCNPIYNCR-UHFFFAOYSA-N
-993F4998EF7C1E92_DB7DA15F1D3E4C5B_6029_UN,O=C(N1CCN(CC1)[S](C2=C(B(O)O)C=CC=C2)(=O)=O)C3=CC=C(C=C3)[N]4N=NN=C4,UQJTWTXGRBODGX-UHFFFAOYSA-N
-995CA6EC85A7FC71_61721E1294A45754_6038_DP,CC[C@H](NC(C1CCCCC1C2CCNCC2)=O)C(=O)OC,CIEAYGWGSDCGOM-NRXISQOPSA-N
-9AB1D456972C76D3_62852F1BADB3567F_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(OC)C=C(C=C3)I,YUORUQDQGRCEHC-UHFFFAOYSA-N
-9BFA132674E6B051_6572140C560FF55B_6029_UN,OCC1(CCN(CC1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,VGZVPUDKZSTACI-UHFFFAOYSA-N
-9CE01F5F21DB56D7_A21AB1FBF63C9EDC_6038_DP,CCC(COC(C[C@H]2[C@H]1CCC[C@H]1CN2)=O)C(=O)OC,PALHMQOHYJKTSY-FNHRNIBMSA-N
-9D68ED99C68DF3A6_BC1B0CCA7914D253_6041_UN,COC1=C(C=C(C=C1)C2=NN=C(S)[NH]2)NCC34CC(C3)(C#N)CO4,GPJWGNSZPSHLRS-UHFFFAOYSA-N
-9D92DA9E205FAB6E_A62398F04A43D1BC_6029_UN,C1CN(CCN1[S](C2=C[N](N=C2)C3=CSC=N3)(=O)=O)C4=NC=CC=N4,JJIRVJPRFMHNKB-UHFFFAOYSA-N
-9E1135868A716163_0E0929C14EB619E0_6041_UN,CC1=C(C(=C(C=C1)NC2C3=C([S](CC2)(=N)=O)C=CC(=C3)F)F)C#N,ARVCBKZMFDOIST-UHFFFAOYSA-N
-9E790E96A38C2354_840B5451A68BF356_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC4(C3=CN=C(OC)C=C3)CCC4,RWOKOWGEEPEWFX-UHFFFAOYSA-N
-9F2170A44D527366_AF32B02436F3A403_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC4=C(C[S](N3CCC(C)CC3)(=O)=O)C=CC=C4,MJFXNJZWLUVQSY-UHFFFAOYSA-N
-A0A2C21E0E2821E0_A0DEB92682889CB4_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3C#N)F)(=O)=O,RUDWXLKFSCYKKB-UHFFFAOYSA-N
-A1507B24B22F6EA2_10C01227FE2F57D9_6003_UN,O([C@H]1CCNC1=O)C2=CC(=C(C=C2C(OCC)=O)[N](=O)=O)F,VYCLRFHQVLJNMD-JTQLQIEISA-N
-A1EA750625014C9E_3E8E38C6F08A8CA0_6039_UN,CCC2=C(OCC(NC1=C([S](C(F)F)(=O)=O)C=CC=C1)=O)C(=O)CC2,VWTGZYJNNQDXJB-UHFFFAOYSA-N
-A2323330227164FF_B290C51EAC75FAC7_6029_UN,N([C@H]1[C@@H](C1)C2=C(C(=CC=C2)F)F)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,ZDCGRMLIECKXCR-XJKSGUPXSA-N
-A3AC32F14A7C5B9B_0A0A29C5089F1588_6038_UN,CN(C)CC1=C(C=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,LSQFVFPXTJJEKG-UHFFFAOYSA-N
-A3F8C18A618FB00D_ED74A8737C89E9B8_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2=C(C=CC=C2)S)C3=CC=CC=C3,CYEHFDKDEVZCPE-UHFFFAOYSA-N
-A4087537C5CFE963_0ED63385A7E51015_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCC(C)C,MYPAKBNAHKHBGM-UHFFFAOYSA-N
-A4A511D4D098CB12_7C99423CA4370491_6039_UN,O(C1=C(C2=C(C=C1)C=CC=C2)CN3CCOCC3)CC4=CC=C([S](F)(=O)=O)C=C4,BZWLFNAZCBVUBQ-UHFFFAOYSA-N
-A57025CA163EAB2A_CE0E8CB3AB5878C2_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=C(C=CC(=C2)[N]3N=NN=C3C)F,UDRYEQDKXAVYFK-UHFFFAOYSA-N
-A604223BB335ACF7_7D60465677B0CA22_6038_UN,CN(C)C1=C(N=C(O1)COC(=O)C2=CC=CN3C2=NCC3)C#N,FGKSRRNNQPEQMK-UHFFFAOYSA-N
-A79B2C34F0846211_D582A7592580551D_6028_UN,ClC1=C2C(=CC=N1)CN(CC2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,CYZJDPFFKJVCBA-CYBMUJFWSA-N
-A8F31378530BC56E_78B84E1904B214C6_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC(CC)C)C(=O)O,BEUFLCDWBJNUDO-HQVZTVAUSA-N
-A91CA5ACF2371C88_A07F5EA66B2950E6_6038_UN,N(C1=CC(=NC=C1)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,JVXJPEMGBSQSBX-WDEREUQCSA-N
-A94C72C4E212192D_7EB7573F727AA790_7019_DP,N1CC(C1)C(=O)OC=CC3=C([N](=O)=O)C=C2OCCOC2=C3,YMWXBAGPOLNFNC-UHFFFAOYSA-N
-AA143A65A0D14DF3_D13431DCCB853424_6004_UN,O=[N](=O)C1=C(C(=CC=C1)C2=CC3=C(C=C2)C=CC(=C3)O)F,OBHOTWOZPYJOII-UHFFFAOYSA-N
-AA1A559507DE7602_06491528BF9DC254_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(C2=C(C)C=CC=C2)CC3)C,YMUDXOBZMWXZLP-UHFFFAOYSA-N
-AA80800443A64658_08CF2153CE842C77_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)CCC2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,RXHIUBLXXNOMIZ-UHFFFAOYSA-N
-AB55FEC1383D81B1_A9F115A28B7E2FAE_6026_UN,[S](=O)(=O)(C1=CC=C[NH]1)NCC3=C(N2CCN(C)CC2)C=CC=C3Cl,QCSCNKDNUKKERF-UHFFFAOYSA-N
-AB89B77AD2D02A5F_273E364ABDD67B41_6034_UN,BrC1=CC=C(C=C1)C2=NNC(=O)N2CC45CC3(CC(CC(C)(C3)C4)C5)C,QFLGTJLNHJMGRF-UHFFFAOYSA-N
-ABD558F8AA156C17_3413A51AC77B4FFD_6003_UN,CN2CCN(C)CC(COC1=CC=C([S](Cl)(=O)=O)C=C1C#N)C2,MJRIAEYEVYCMLR-UHFFFAOYSA-N
-AE85B74C0C2B981F_58CF8FCD0A12A8B0_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)F,QITGZEPSOBAEQK-UHFFFAOYSA-N
-AEA6192E7798C935_EE0FCAEE6828DDF2_6041_UN,C[N]1C(=NC2=C1C(NC(N2C)=O)=O)NCC34CCC(C)(CC3)CO4,WPEWMJNVZQJFQB-UHFFFAOYSA-N
-AFB19A4067EFA088_1639964445A37240_6038_DP,CCC(CNC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,XSWFUOOHLZIXQG-WLPIGLKUSA-N
-B0369F3933F9F122_259D84124043C3C4_7019_UN,CN4CC(C)(C=CC2=C(NC1=NC=N[N]1C2)C3=CC=CC=C3)C4=O,URPFNJPZKGBFFW-UHFFFAOYSA-N
-B251DE279BA9832A_4A09A6FB8AC63BE9_6028_UN,C(N5CCC1=C(C4=C(N1[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,CRASSPVVFCLTJK-UHFFFAOYSA-N
-B308107B86C7CAD9_BBB063BAF4B042D8_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)C=CN3CC4=CC=CC(=C4)[S](C)(=O)=O,RAWSMPMMTXHLEN-UHFFFAOYSA-N
-B48FD7406575460F_EC515493DD35304F_6038_DP,N(C1=CC=C(C=C1)SC#N)C(C3(ON=C(C2CNC2)C3)C)=O,NHHAYIAZONIUDX-UHFFFAOYSA-N
-B514478A20EFFF6D_E18B0084F0B01B86_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C(C)=O)C=C3)F)=O,JHQKPXBPZPDUMH-UHFFFAOYSA-N
-B5F57C78D02A14A2_C0AE8F833E4A4D8A_6026_UN,COC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=C(C)C=CC=C2)CC3)C,QGPDLUKDFQFXJR-UHFFFAOYSA-N
-B6B923AB7CA1BC5E_50AD0567A868AF0A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(CC3=CC=N[N]3C)CC4,KVLSRCFQUWTAMU-UHFFFAOYSA-N
-B6C051D5E45FFDCD_C2358CA8DCC6763A_6035_UN,O([C@@H](C1CCCC1)C2=CC(=CC=C2)F)C3=C(C[S](C)(=O)=O)C=CC=C3,AXXROBHNLWCKSO-FQEVSTJZSA-N
-B8D0C74F1E2131A2_421970A05B28BFE9_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)C,OODBFSGYJZANSI-UHFFFAOYSA-N
-B9E07033A084E944_59A9FCF4D1B571A4_6031_UN,O(C(=O)C23CC1CC(F)(CC(F)(C1)C2)C3)CC4=NC(=C(OC)C=C4)OC,VCRDERIRGDZJFN-UHFFFAOYSA-N
-BA531CB22D15F4A8_C3BAF51AF9F41B21_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C(=C(OC)C=C2)OC)C,LIAUCVHAWOVOGE-UHFFFAOYSA-N
-BA7755D63BD56A04_406FC3AE84A6F4BD_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O,NCDLOEAZNLJZOC-UHFFFAOYSA-N
-BC1FCEFE12A91867_7B168E7974839A5D_6041_UN,CN(C)C1=NC=CC(=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,VRYGIQCJHSNHHV-UHFFFAOYSA-N
-BCFAF4326AC19A65_E7A21C3C63394FFA_7017_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=NC=C(Br)C=C2)CC3)CN,PPENOUSEXDFUQU-UHFFFAOYSA-N
-BD152C4BDF1FCAE9_FCB03712E5FB2E1D_6035_UN,O(C(C1CCCC1)C2=CC3=C(C=C2)OCO3)C4=C(C[S](C)(=O)=O)C=CC=C4,QMMIHBQSGMCSEO-UHFFFAOYSA-N
-BD71965AF621C243_50C011CD57114DF6_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(Cl)C=CC=C3)CC4,AIRPOMXGVBOOAC-UHFFFAOYSA-N
-BD88FA2DAAF9CC40_F4B50D4A2D55CA8E_6038_DP,COC(=O)[C@H]1[C@H](CCCC1)NC(C23CC(C(O)=O)(C2)C3)=O,RNMQXQKAFCOOAN-YAGSZDGKSA-N
-BDC2CDA9DD3771B1_DA37F56767B4A511_6038_UN,C[N]1C=CN=C1CN2C[C@@H](F)C[C@H]2CNC(C3=C[NH]N=C3C4=C[N](C)N=C4)=O,HRQHSXVAOXTWJV-KBPBESRZSA-N
-BDFAE8F4A42C28B6_BA4514A45520405E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C3=CC=C(C)O3)CC(=O)O,NPZUNBGWCSZGIJ-ZDUSSCGKSA-N
-BF178731A8E1816A_BE6F9341B6C2357C_6038_UN,CN2C(=O)C(=C(NC(C1=CN=C(N(C)C)C=N1)=O)C23CCCC3)C#N,BABZRVLKTQMXRN-UHFFFAOYSA-N
-BF27EDE6C320271A_9D152563F1238BE2_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=CC=C3,HOZPGRYOLXQKAA-UHFFFAOYSA-N
-C0229A4CE68B5691_810AC032760A2C2E_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)C=C(C=C3)SC,MTMUGJIJNPBPRX-UHFFFAOYSA-N
-C09731A3505EF7F3_C661EC9479FEB57B_6038_UN,C[C@H](OC(C1=C(C=C(N(C)C)C=C1)C)=O)C2=N[NH]C(=N2)C,DQIVEUQTZFKUEY-JTQLQIEISA-N
-C0ADC4734814FF44_7C16C703E7FC7A49_6028_UN,COC1(CN(C1)[S](C3=NN=C(C2=CC=CC(=C2)[N](=O)=O)O3)(=O)=O)C4=NN=C[N]4C,NJWIZPKTNQECDG-UHFFFAOYSA-N
-C15D4FBE93C632EA_C7C10D30C9CB9B7A_7019_UN,C(CC1CCNC1=O)=CC3=C(N2CCN(C)CC2)C=CC=C3Cl,NDFZHKHRXZGQKR-UHFFFAOYSA-N
-C16AF7DF5E4DDBFB_470AD0EEF4E6A5FF_6035_UN,CC1=C(C=CC=C1)C2(CCNCC2)OC3=C(C[S](C)(=O)=O)C=CC=C3,IHSRMAFLGGIGDX-UHFFFAOYSA-N
-C34CF8FACC8520D2_2A1423A5198C1DA4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCCC2)NC4(C3=CC=C(C)C=C3)CCCC4,QJPHBOLIYZALKU-UHFFFAOYSA-N
-C35B4479B70D68E5_B9B48A248204988D_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)O,RZHKPDQQARPEIY-UHFFFAOYSA-N
-C5901818122290A0_55C2380D4656EAA7_6029_DP,N1CCC(=CC1)C2=C[N](C3=C2N=CC=C3)[S](C4=CC(=CC=C4)[N]5C=NN=N5)(=O)=O,FGDSUPXKYYKDBX-UHFFFAOYSA-N
-C5BA7882DAD2B8EA_70373D1FC403909F_6038_DP,CC[C@H](NC([C@H]1[C@@H](CNC1)C2CC2)=O)C(=O)OC3CCCCC3,BMIDXUNPTYZHAP-XHSDSOJGSA-N
-C63712CD26F8949B_7C4CFF58F8BEB44F_7022_UN,C1(=CC(=CC(=C1)Cl)Cl)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,VGPZGCUPYDLBDJ-UHFFFAOYSA-N
-C64D49D455DB0D2A_F12281B02E06C10A_6038_UN,CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(C2=C(ON=C2OC)C3CC3)=O,FUVWCOBBMMYKNA-MRVWCRGKSA-N
-C6DA98E21F5FB60B_2992398D3C45AF13_6026_UN,COCOC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)F,FTLKVWKVFKJMBR-UHFFFAOYSA-N
-C85ABF60493E8F9C_0F72CA86C5646E44_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(OC3=CC=C(OC)C=C3)C=C4)(=O)=O,PDYGXJXWAFFBRV-UHFFFAOYSA-N
-C874BA0BF0728153_BCF864B235B1E397_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Cl)CC4,JOQLPVFIVILRGT-UHFFFAOYSA-N
-C9F2B3CAB7A36DDA_CB2297F5A98E6039_6029_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=C(N=N[N]2C)C3=CC=CC=C3)(=O)=O,IIQUBJQAYUGRIP-UHFFFAOYSA-N
-CA63DE41CD906B2A_A6748DF312ABB387_6029_UN,C1C(CN1[S](C2=CC(=CC=C2)OC3CCCCC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,SIFBGXVYAFQOOF-UHFFFAOYSA-N
-CAF3A0ABBCA138F6_05B2F0589CEBDAE1_6038_DP,CC[C@H](NC([C@@H]1CNC[C@H]1C)=O)C(=O)OC2CCCCC2,WPMCUUHVXDJUEE-BNOWGMLFSA-N
-CB0842396712DA55_C3B725C89DC6D51F_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC(C3=NC=C[N]3C)C4CC4,IGHLTGCSDFBTEP-UHFFFAOYSA-N
-CCA032264819E15F_3C714BDF8A342DCE_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC2=NN(C)C(C2)=O)N3C(=O)C=CC3=O,CZYXVCWFXQUPKI-UHFFFAOYSA-N
-CD37161EB0911E9B_7975FD6433D78397_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2CC2)CCC(C3=NC=C(Br)C=C3)(CC4)C#N,JVCNTCMMCSLACM-UHFFFAOYSA-N
-CD9221351314CB04_0F31327AA1FB4017_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(SC)C=CC=C3,NSGDUPYHWRCPRY-UHFFFAOYSA-N
-CDCE888DE699507F_56CBF54513CD35B7_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)C(C3=NC=C[N]3C)CC(N)CC4,BVGQHDUTJUFWPT-UHFFFAOYSA-N
-CEFCD790F637F668_F9DA2192CF5A3609_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3C(C)COC4=C3C=CC=C4,FDWSRYPUMFRMCW-UHFFFAOYSA-N
-CF0F29843CF06AA0_5D82C02744137A20_6029_UN,CC1=C(C=CC=C1)C2(CN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O)F,BFFGKALIGSBJKM-UHFFFAOYSA-N
-CF43685B20CDC2AA_C6BA85553F3C260B_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@@H]2[C@H](C)OCC2)C=CC=C3,JUDCQBHPDRPREL-JQWIXIFHSA-N
-D0956A05F2AC33AC_D016FB38C4986CAE_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@H]3N(C)C(CC3)=O)=O,WQWGJSHFBXPCTJ-LBPRGKRZSA-N
-D10C00392FDE4C5D_639B853C1124802F_6028_UN,C2C[C](=[CH]C1=CC=CC=C1)CC[N]2[S](C3=C(OC)C=CC=C3Br)(=O)=O,XMFLHTUXUPAKHN-UHFFFAOYSA-N
-D17C11755D5B4989_247135DD0F969A39_6039_UN,O(C1=CC=C(C=C1)C2CCC2)CC3=CSC(=N3)C4=CC=C([S](C)(=O)=O)C=C4,FSHDEEBXOKWYJV-UHFFFAOYSA-N
-D26BB0BC0DA92762_194F1ACA0AD6B501_6031_UN,CC(C)(C)NCCC(=O)OCC1=C(C(OC)=O)SC=C1,ZSHQGGCPICWEHF-UHFFFAOYSA-N
-D449D87FB5B192FD_2DB3B2CDEFE89353_6029_UN,CC1=CCCN(C1)[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O,KIUZYIZQINEZHR-UHFFFAOYSA-N
-D45B9D94485ECA39_6D3B58C9DE71DA16_6038_DP,CC[C@H](NC([C@H]2N[C@H]1CCCC[C@H]1C2)=O)C(=O)OC3CCCCC3,OAADTYKFTBBSLP-HJWJTTGWSA-N
-D46FB29979400764_975793A16C1022EE_6031_UN,CC1=C(OC2=C1C(CC(C2)(C)C)=O)C(=O)OC[C@@H]3CNCC3,CUUXWCMNDDHTAN-NSHDSACASA-N
-D4AA634CCA675A1C_15E3577E3272CB7E_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3)C)F,ODDLTXMKMQLQFO-UHFFFAOYSA-N
-D4BF11C248E6BC6B_FE28B62A19E586C7_6034_UN,C=C1CCC(=O)N(C1=O)CC2=C(CN(C)C)C=CC=C2,MXKXAYTVEIVZPY-UHFFFAOYSA-N
-D5918657AAE478C3_3ADB6422337D5ACF_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC=C3)CC4,YQKCAVAIQURAHW-UHFFFAOYSA-N
-D599B64436C06629_FED180363B49ED10_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCCC2)NC4(C3=CC=C(C)C=C3)CCC4,GIKAVJFMKUVBRH-UHFFFAOYSA-N
-D728FDE161D2A501_FDD90936D49294C7_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(OC)C=CC=C3)(=O)=O,YNYINTCVTVXTPG-UHFFFAOYSA-N
-D72B7466AA315A21_7917A2D5058B2396_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=CC(=C2)F,MRQFYGTZJOIHCN-UHFFFAOYSA-N
-D894E7027DFE8FAA_CC0D768153ACE38C_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)=O)CC3)=O,UCUOWZSPNBRNJI-UHFFFAOYSA-N
-D97A7EAC349C3714_C09BCD052221CBC0_6038_DP,CCCCCC(OC(C2[C@H]1CCCC[C@H]1CN2)=O)C(=O)OC,QQMIDJIBRHEZBO-HESLUPGFSA-N
-D99A03FB22312850_0D3604378EB0CA94_6041_UN,CN(C)C1=NC3=C(C(=N1)NC(C)C2CSC2)C=CC=C3,AWOIBNYGAHGEDT-UHFFFAOYSA-N
-DA1E3FC0EA956D9A_77FCEE70D3B59F15_6041_DP,CN(C)C1=NC3=C(C(=N1)N[C@@H]2CNC[C@H](C2)F)C=CC=C3,LMTARNHVYCAWRC-QWRGUYRKSA-N
-DACC7DA4D38282B9_C663B5999A0C8F75_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OC)C,XMXMOEGAQFEQTC-UHFFFAOYSA-N
-DB9998793E50A614_D9DBEE1AB6D4125A_6039_UN,O(C1=C(C2=C(C=C1)C=CC=C2)CN3CCOCC3)CC4=CC=C([S](Cl)(=O)=O)C=C4,JFBZFIWLFRFFGS-UHFFFAOYSA-N
-DBB2AE9F912C66FF_5FEB627C275A7EC2_6038_UN,O(C2C[C@H]1CC(=O)C[C@H]1C2)C(C3=C(ON=C3OC)C4CC4)=O,MFZZFWVFXPYRAR-DHHPTOIESA-N
-DC20E2834D44F5EC_82C56CFCCE2266AB_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C(=CC=C3)Cl)CC4,XHJDIZWCQVVJTM-UHFFFAOYSA-N
-DD73D798C3708600_9D23E13C2F66C669_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCCC4,MKKZHKILUBBSAH-UHFFFAOYSA-N
-DDAE5CEBFC6C2304_E9EB0105002D425A_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCCC4,SYMVRUDIIMLCGM-UHFFFAOYSA-N
-DDE2CDD96C685B8D_71F0489E826918CC_6038_UN,CSCC[C@H](NC(C1=CC=C(C(OC)=O)O1)=O)C2=N[NH]N=N2,XEIOGRGPNBAKPO-ZETCQYMHSA-N
-DE598A0B5A2381E2_8FF581014279DEAA_7022_UN,C1(=CC(=CC(=C1)F)Cl)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3,MZPDLANVRYRPCA-UHFFFAOYSA-N
-DF53B8A9660BAB0E_3215D601B5440276_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCC)CC3)=O,HOLIAJMXXFQZDM-UHFFFAOYSA-N
-E034067CFA583CEB_A8D0962AF38018CE_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(OC)C=CC=C3SC,UXNBKDCYWQMOKP-UHFFFAOYSA-N
-E0FA04241C77EC7D_0327913DA9FDEAE1_6035_UN,NC1=NC(N(C=C1)[C@@H]4CS[C@H](COC2=CC(=CC=C2)C3=NN=C[NH]3)O4)=O,ZELSOWILRGLPEW-UONOGXRCSA-N
-E1F1CFB3C729559C_BE1912DA30D05A83_6003_DP,N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=C([S](C)(=O)=O)C(=C3)C#N,VLFUYMSVHFIDNB-UHFFFAOYSA-N
-E215D3865397BBF3_B4EF278C19D2E628_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C=C(C=C3F)F)(=O)=O,WNIFAPNSTHKJNH-UHFFFAOYSA-N
-E326513925EB3EE8_44C524B3A0FC996F_6026_UN,ClC1=C(C(=CC=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C#N,CEWXVAWPKOICPY-UHFFFAOYSA-N
-E4646F04D365911E_A54E4CC310C289E8_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,YGCOANBWOROVBA-KRWDZBQOSA-N
-E4D50577234A49AC_0EAEB3D593A929C5_6041_UN,CC[N]1C(=NN=C1C2=CC(=CC=C2)NC34CC5CC(F)(C3)CC(C4)(F)C5)S,HVCHRDPTXHTOPN-UHFFFAOYSA-N
-E4E1F1740EFE2DAE_A137DC062AF9AF89_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC)CC3)=O,KSFCOEIVVNPRJY-UHFFFAOYSA-N
-E5F56A74373F774E_2776451229DDD67E_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3(C(C)C)CC3,AJFAXJGYVBUSKK-UHFFFAOYSA-N
-E632A4498EE14574_4056AA877EA5B9CA_6028_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)C)(=O)=O,LBMLPBNHFJYYPP-UHFFFAOYSA-N
-E69D6DD81A33D111_65349F80F703F20B_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)N(C=C3)CC4=C([S](C)(=O)=O)C=CC=C4,PYYBPIVKAKCWAP-UHFFFAOYSA-N
-E748D19ACEAE24DA_1EC307F0DB06F9FD_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,FHTHGIUSENJBHZ-ZDUSSCGKSA-N
-E7729BFCB08D9052_9486EFD9479027F2_6029_UN,FC1(CCN(CC1)[S](C3=CC2=C(CC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,AQFDRTINODUKIR-IBGZPJMESA-N
-E7EDFBE52151C63C_5F0799177496386F_6039_UN,CC4=C(OCC2=CC(=C1OCOC1=C2)C3CC3)C(=O)CO4,GBCISRPBEJYPQY-UHFFFAOYSA-N
-E82AD791D91727C0_86209CB7629A42B9_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,KZQCISYTORWMTL-UHFFFAOYSA-N
-E87809F898AE4215_4B73406AEF916ACC_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(OC)C=C(C=C3)Br,KETGVPAZHJNWFZ-UHFFFAOYSA-N
-E891792EA0EBE2F6_7FB6B2864E0B0C94_7015_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2C)C)(=O)=O,KNNPEIATXXXNIH-UHFFFAOYSA-N
-E998EA37F5C5A7D6_BBFF466BE32644F3_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=CC=C(OC)C=C3)CCCCCC4,BQURWRGEMKGEBE-UHFFFAOYSA-N
-EA79CF84CC2B700A_5B555C9BDD8264A4_6029_UN,C1C=C(CN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C4=CC=CC=C4,HMLLPZUMFLFUGV-UHFFFAOYSA-N
-EA7C7216EA1C6960_6353051EE1F7C11E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C)(C)CC(=O)O,YIFARDLPYGZGAT-UHFFFAOYSA-N
-EA89A9A56E555DC7_EC24EA79707BF1FC_6031_UN,CC1=N[N](N=N1)CC(=O)OCC2=C(N(C)C)C=C(C=C2)Br,OEIPBTABPRCBNZ-UHFFFAOYSA-N
-EABF34B0F1DBB41B_A64025C26F9578E3_6029_UN,FC1=CCCN(C1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,GUAOQHKGZMFAHU-UHFFFAOYSA-N
-EB7E122EF4064429_A30ABF0BD815C78C_6041_UN,CC1CCC(CC1)OC2=NC(=NC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,RPNKGNANDHPAID-UHFFFAOYSA-N
-EB8B7198F02C4550_94F11ABACFAFA702_6034_UN,CC1=CC(=O)N(C1=O)CC3C(C2=CC=C(OC)C=C2)N(CC3)C,KKRADCJPVZKRCD-UHFFFAOYSA-N
-EBCBFE0601B00330_8EB29AF0EAED68CF_6041_UN,C1(=CC(=CC=C1)C#CC#N)NC2=CC3=C(C=C2)N=N[N]3O,YIONHUGGVGZHKK-UHFFFAOYSA-N
-ECFFB8EFC6A31E8D_5F88DFB9097932D8_6026_UN,FC1(F)CC1C2=CC(=CC=C2)[S](=O)(=O)NCC3(C(C)C)CC3,HVTGJEUKNIYSFO-UHFFFAOYSA-N
-EE5A54A70B42E958_F1B3C8D785BFAC52_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)C,ISSNEPSJCJDQSI-UHFFFAOYSA-N
-EE6B74E5A03EE2CF_C8F31B3295589A00_6041_UN,CN(C)C1=NC(=NC(=C1)C)N[C@H]2C3=C(OCC2)C(=CC=C3)F,HWPRAOHYMLJVSS-CYBMUJFWSA-N
-EED75EF9E3F08FC2_13071D7D576E5E17_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(N=C2)Cl)CC#N)C=C3,KJPPBXHUOYXIST-UHFFFAOYSA-N
-F0B1A56765D825D5_6088860F190D3D2B_6029_UN,C1CC(CN(C1)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O)OC5=CC=CC=C5,NICLCKCKKNLVLY-UHFFFAOYSA-N
-F0C074CCA266373B_4E7888E670759347_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4=CC=C([S](N3CCC(C)CC3)(=O)=O)C=C4,OVRXEZXJFKVMHH-UHFFFAOYSA-N
-F14E7EDBE6C4DD22_F12A4F55859F3DF7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2=CC=CC=C2)NC3CCC(OC)CC3,MAYNUKWFUIHGSX-UHFFFAOYSA-N
-F2205D08AE6F1EB6_457AA2E2269864D4_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C(OC)=O)=O,HGARXKPOUOEDGL-UHFFFAOYSA-N
-F241A65F5F6CE307_B8AE12ACFE224D7B_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2CNOC2)C(=O)O3,QOYNDECKVFLENR-UHFFFAOYSA-N
-F267AA07F7DD6717_EA84E37484F58BC3_6034_UN,COC1=NNC(=O)N(C1=O)CC23CCC(C)(CC2)CO3,AYMSWWMSGZBPFI-UHFFFAOYSA-N
-F2C335D03B9B1B18_A72F46FE536FB867_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(C=N[N]3C)Br,BOARGDCVYNNDCO-UHFFFAOYSA-N
-F351BF074B201997_B675B18B9F91C7E6_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O)C=CC=C5,FJZRGAWTBGZHSY-UHFFFAOYSA-N
-F389A41E725E49A7_911BEC248EE5BB81_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(CN3CCN(C)CC3)C4,DGXYHZGLJWBBDP-UHFFFAOYSA-N
-F39D1D4F358D3E1E_D5544E05937A94E5_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC(C3=NOC(=N3)CCC)(C)C,XCGTWMITKWJAAX-UHFFFAOYSA-N
-F48FDD640D94EE2A_16B804B7B6BA175C_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCOCC4)C5=NN=N[NH]5,RCHRMFLERJBDDX-UHFFFAOYSA-N
-F4CE556316CEB9A8_9FBA5232CAC4BF78_6039_UN,C[C@H]2CC(COCC1=C(SN=C1OC)OC)C[C@@H](C)O2,ZQPAQEFUXBWKTN-ZACCUICWSA-N
-F593DDBACB88F29E_574518D226BEC5F9_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N(C2=CC(=C(Cl)C=C2)Cl)C3CCCC3,GOQRTKLOAZIJRP-UHFFFAOYSA-N
-F651BB914D8170F1_EA5BDFF80B92AF4A_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(F)C(=CC=C3)Cl)CC4,UUWGVJCISQCWRI-UHFFFAOYSA-N
-F6A41E92D98693D1_DA886B7E33FC25C4_6034_DP,CC2=CC1=C(C=CC(=C1)Cl)C(=O)N2CC3(NCCNC3)C,XFBIHRVLFKWKMV-UHFFFAOYSA-N
-F6EE4CDDD510B813_42C56528AFE7B075_6038_UN,CN(C)C(=O)C1=CC(=C(C=C1)F)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NYCDBYVLYROJKP-UHFFFAOYSA-N
-F7E661C28873479A_E1C76EDC6D0E1D92_6029_UN,CC1=C(C=CC=C1)C2=C[N](N=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,YYGLOPPSOJGYHT-UHFFFAOYSA-N
-F863BC5893A2ED6C_EE6721C5292A8D8B_6041_UN,C2(=C(C=C1OCOC1=C2)CC#N)NCC3=NNC(N3C)=O,VLSUNOWTAADNJE-UHFFFAOYSA-N
-F8FB22081D2117CA_53EC5162516999C0_6031_DP,N2C[C@@H](CC1CC1)[C@@H](C2)C(=O)OCC3=C(ON=C3OC)C,ARSCYARXDVIYDB-VXGBXAGGSA-N
-FA50816955CAC3B4_75EF0D0A0FA8D963_7022_UN,C2(=C1OCCC1=CC=C2)NC3=CC=C(C[S](C)(=O)=O)C=C3,BITXOUCVUHVWBG-UHFFFAOYSA-N
-FB08A36B1D664B29_1F054D0B8DF801F4_6029_UN,C1CC2(C1)C5=C(N(C2)[S](C4=CC=C(C(C)N3CCCC3)C=C4)(=O)=O)C=CC=C5,VTUFXOSIMPMEEA-UHFFFAOYSA-N
-FB7715D8A67897CC_4386AA82E8B1AD67_6038_UN,CC(NC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)C3=CC=C(C=C3)N(C)C,DUBSRZBRQHBCNA-UHFFFAOYSA-N
-FBE2B466556E52B5_EAFE92471C7761E1_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(F)C(=CC=C3)Cl)CC4,GWNSCYMZKVACPQ-UHFFFAOYSA-N
-FCB2018741E34913_D8229154630F3CD0_6039_UN,CN3CC1=C(C=C(C=C1)COCC2=C(C)C=CC(=C2)[S](=O)(=O)Cl)C3,MOZKIFYBPLGMSB-UHFFFAOYSA-N
-FD24E65AD0506010_9692399ECD14BA4F_6028_UN,N(CCC1CC=CC1)[S](C2=CC=C(COC)C=C2)(=O)=O,UEOZVCRIHXEMDM-UHFFFAOYSA-N
-FDA1EF1F96FC5B2A_028B51E985D8AD7A_7019_UN,COC1=C(C(=CC=C1)C=CC2=C(N=N[N]2C)C3=CC=CC=C3)C,RUXMNLRPALQFPH-UHFFFAOYSA-N
-FDAA8B8B79EED954_7FB2B8947327B394_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3=CC=C(C)C=C3)C4CC4,GNUIXQLWALCTSW-UHFFFAOYSA-N
-FE31AE924CADADD0_ABF4923CAA68C144_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N4CC(C3=CC=CC(=C3)OC)C4,JYWSSFRAHMGVJC-UHFFFAOYSA-N
-FE44325C2C0DF7F9_164E493692424C02_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,PAEFPZGNCLHPRV-LBPRGKRZSA-N
-FE55E811B5B152EC_678192A91F4B10B0_6031_UN,O(C(=O)CCC1NC(=O)NC1=O)CC2=CC(=C(OC)C=C2)Cl,JYAOGGJQGILMII-UHFFFAOYSA-N
-FE7737A9D11C24DE_D6C5E67DC2D19C67_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=NC(=NC(=N3)N(C)C)N)=O,YOGWYIATYQGRQL-UHFFFAOYSA-N
-FEBBCEFF2CD25ED3_76B360A4EC1A7BF1_6041_UN,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC(CC)(CC)C2=NN=N[NH]2,GUPNVDIQDVIXRF-UHFFFAOYSA-N
-FEF41D52C32BB51E_E89A7E45D150130D_6038_UN,CC1=C(C(=CC=N1)OC(C2=NN(CC)C(C2)=O)=O)[N](=O)=O,KDZIMMXVKFVBPV-UHFFFAOYSA-N
-FF1CCC8937F40896_CB28777F54CACE9F_6038_UN,N(C[CH]1C[C](C1)=[CH2])C(=O)C2CC(C2)C3=CC=C(C=C3)F,KITJBKLQWUFTJE-UHFFFAOYSA-N
-FFAA05783AABB61D_BE637895911D32DB_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O)C,LCIPZSHKMTVGQH-UHFFFAOYSA-N
-rxn:2:101315:73773,CCCN(CC)c1cc2c(cc1NC(c1ccc3c(c1OC)COCO3)C(C)C)OCCO2,DBDAEWDSHFLJGQ-UHFFFAOYSA-N
-rxn:2:101341:86695,CCc1cc(NC(CC)c2ccc(N3CCN(CC)CC3)nc2)ccc1N1CCOCC1,CZTACIJHHNZLAQ-UHFFFAOYSA-N
-rxn:2:102769:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2cnc(N3CCN(C)CC3)c(C)c2)c1C,MDWVBLHMYLKSSR-UHFFFAOYSA-N
-rxn:2:102769:156456,CCCC(NCc1cnc(N2CCN(C)CC2)c(C)c1)c1cccc(S(=O)(=O)C(C)C)c1,GXQKUJLYZHNVPJ-UHFFFAOYSA-N
-rxn:2:104745:101788,CCN1CCN(c2nc(C)c(C(C)Nc3cc(N(C)C)ccc3S(C)(=O)=O)c(C)n2)CC1,DXHLUKLPLLULFT-UHFFFAOYSA-N
-rxn:2:104745:73038,CCC(Nc1cc(N(C)C)ccc1S(C)(=O)=O)c1cnc(N2CCN(CC)CC2)cc1C,DJGCDPAAUOLSIC-UHFFFAOYSA-N
-rxn:2:110348:87087,CCC(NCc1c2c(c(C)[nH]c1=O)CCC2)c1cnc(N2CCN(C(C)C)CC2)cc1C,CORRMMOTVRUOFM-UHFFFAOYSA-N
-rxn:2:110942:79723,CCC(Nc1c2c(nc3c1CCCO3)CCC2)c1ccc(N2CCN(CC)CC2)nc1C,PNLYIXSKZDDJGT-UHFFFAOYSA-N
-rxn:2:111942:141775,CCCS(=O)(=O)n1cc(NC(CC)c2ccc(N3CCN(C(C)C)CC3)nc2C)cn1,IIOZFJAAYCQVAS-UHFFFAOYSA-N
-rxn:2:112123:125863,CCN1CCN(c2ncc(C(C)Nc3ncc(S(=O)(=O)CC)c(C4CC4)n3)c(C)n2)CC1,CSDLJBSMSIKAMB-UHFFFAOYSA-N
-rxn:2:112123:130197,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,FTEYWLGFTJRNST-UHFFFAOYSA-N
-rxn:2:112123:73038,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1cnc(N2CCN(CC)CC2)cc1C,JCUUFMCNVYMMRW-UHFFFAOYSA-N
-rxn:2:112185:134221,CCCOc1cc(C)c(N(C)C)cc1NC(CC)c1cnc(N2CCN(C)CC2)cc1C,KRDTYFBUJGEYAY-UHFFFAOYSA-N
-rxn:2:112434:141775,CCCn1c(C)cc(=O)c(NC(CC)c2ccc(N3CCN(C(C)C)CC3)nc2C)c1C,YDJZAEZJLNDUIU-UHFFFAOYSA-N
-rxn:2:113467:165176,CC(C)CN1CCN(c2ccc(CNC3CCCc4ccc(S(=O)(=O)F)cc43)cn2)CC1,HAUHBYWHOSEGBH-UHFFFAOYSA-N
-rxn:2:116433:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ncc(S(C)(=O)=O)c(C4CC4)n3)c(C)n2)CC1,XCOYWHGKZUUQCM-UHFFFAOYSA-N
-rxn:2:116433:117468,CCC(Nc1ncc(S(C)(=O)=O)c(C2CC2)n1)c1ccc(N2CCN(C(C)C)CC2)nc1,QZFRNMQXOFLISQ-UHFFFAOYSA-N
-rxn:2:116433:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ncc(S(C)(=O)=O)c(C3CC3)n2)CC1,PFUXYDHZKTWFOQ-UHFFFAOYSA-N
-rxn:2:117893:79989,CCC(NC(C)Oc1ccc2c(c1)CCCC2=O)c1cnc(N2CCN(C)CC2)cc1C,CIIOODAOHOBPMQ-UHFFFAOYSA-N
-rxn:2:121800:101788,CCN1CCN(c2nc(C)c(C(C)Nc3cc(N(C)C)ccc3S(=O)(=O)CC)c(C)n2)CC1,BRDMVOGOLMZJSQ-UHFFFAOYSA-N
-rxn:2:121800:134221,CCC(Nc1cc(N(C)C)ccc1S(=O)(=O)CC)c1cnc(N2CCN(C)CC2)cc1C,ZTMNBCCGKPIAMP-UHFFFAOYSA-N
-rxn:2:121800:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(N(C)C)ccc2S(=O)(=O)CC)CC1,DRARZLJOKKVDSQ-UHFFFAOYSA-N
-rxn:2:121800:79130,CCS(=O)(=O)c1ccc(N(C)C)cc1NC1CCN(c2cncc(OCC(C)C)c2)CC1,QVHJZYMBDWXZEF-UHFFFAOYSA-N
-rxn:2:121800:91208,CCS(=O)(=O)c1ccc(N(C)C)cc1NC(C)c1c(C)nc(N2CCN(C)CC2)nc1C,MACUJTDPWWKTDK-UHFFFAOYSA-N
-rxn:2:125422:141775,CCC(Nc1cnn2c1S(=O)(=O)CCC2)c1ccc(N2CCN(C(C)C)CC2)nc1C,JNCJPUFDIISFPB-UHFFFAOYSA-N
-rxn:2:127658:73038,CCc1cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)c(OC)cc1N(C)C,IAIXWXDWEFYNFD-UHFFFAOYSA-N
-rxn:2:128317:79130,CCCn1c(NC2CCN(c3cncc(OCC(C)C)c3)CC2)cc(=O)n(CCC)c1=O,NIEKGXGOLWOARK-UHFFFAOYSA-N
-rxn:2:128317:86695,CCCn1c(NC(CC)c2ccc(N3CCN(CC)CC3)nc2)cc(=O)n(CCC)c1=O,ZYABZMSXMWSEQR-UHFFFAOYSA-N
-rxn:2:129395:165176,CCC(NC1CCCc2ccc(S(=O)(=O)F)cc21)c1cnc(N2CCN(C)CC2)c(C)c1,GPGMMYNTQOQPAW-UHFFFAOYSA-N
-rxn:2:130796:73038,CCCCn1c(=O)cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)n(C)c1=O,VXCFVSWNTDARDC-UHFFFAOYSA-N
-rxn:2:131558:79723,CCC(Nc1c(C)n(C)c(=O)n(C(C)C)c1=O)c1ccc(N2CCN(CC)CC2)nc1C,ZHWAEOITUSUMGV-UHFFFAOYSA-N
-rxn:2:133117:130197,CCC(NC(C)c1c(C)cc(=O)n2c1N(C)CC2)c1ccc(N2CCN(C)CC2)nc1C,GOJXTXVNKXUGSZ-UHFFFAOYSA-N
-rxn:2:138964:79130,CCCn1c(C(C)C)ccc(CNC2CCN(c3cncc(OCC(C)C)c3)CC2)c1=O,FFTZLIFVDBQHGT-UHFFFAOYSA-N
-rxn:2:139605:143964,CC1(C)C2CC(Nc3cnc(=O)n(C4C5CC6CC(C5)CC4C6)c3)C1(C)CC2F,JWIPXKRCDRKALW-UHFFFAOYSA-N
-rxn:2:139789:105574,CCn1c(C(C)C)ccc(C(C)(C)NC2CCc3nc(N4CCN(C)CC4)ncc32)c1=O,CYIWHWRSHAMQBD-UHFFFAOYSA-N
-rxn:2:139789:135127,CCn1c(C(C)C)ccc(C(C)(C)NC(C)c2cnc(N3CCN(C)CC3)nc2C)c1=O,ASAORQQSEQDZJA-UHFFFAOYSA-N
-rxn:2:141441:73038,CCC(Nc1nc2c(c(=O)[nH]1)CN(CC)CC2)c1cnc(N2CCN(CC)CC2)cc1C,ICKGDQNGVFMJMJ-UHFFFAOYSA-N
-rxn:2:141563:117468,CCCn1c(=O)cc(NC(CC)c2ccc(N3CCN(C(C)C)CC3)nc2)n(CC)c1=O,NMWGQTFNDDENEF-UHFFFAOYSA-N
-rxn:2:145813:125863,CCN1CCN(c2ncc(C(C)NCc3cc(S(=O)(=O)CC)c(=O)[nH]c3C)c(C)n2)CC1,ZEIQUSHAYGVIPB-UHFFFAOYSA-N
-rxn:2:145813:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NCc2cc(S(=O)(=O)CC)c(=O)[nH]c2C)CC1,BYFKKTKWVIKQIV-UHFFFAOYSA-N
-rxn:2:145813:73038,CCC(NCc1cc(S(=O)(=O)CC)c(=O)[nH]c1C)c1cnc(N2CCN(CC)CC2)cc1C,SDALYLOZHNROQW-UHFFFAOYSA-N
-rxn:2:146211:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2c(C)c(C)n(C)c(=O)c2S(C)(=O)=O)CC1,BUFLNAMSTLHZDT-UHFFFAOYSA-N
-rxn:2:146430:134221,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3cnc(N4CCN(C)CC4)cc3C)c(C)cc21,BTEHQBAWPMKSCG-UHFFFAOYSA-N
-rxn:2:147005:68336,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC1CCN(c2cncc(OC(C)C)c2)CC1,JCJWUAJZUXHNPK-UHFFFAOYSA-N
-rxn:2:147297:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NCc2cc(S(C)(=O)=O)c(=O)[nH]c2C(C)C)CC1,BBBKVCUBMYYBFB-UHFFFAOYSA-N
-rxn:2:147297:68336,CC(C)Oc1cncc(N2CCC(NCc3cc(S(C)(=O)=O)c(=O)[nH]c3C(C)C)CC2)c1,VBMWKBMBZYCWNB-UHFFFAOYSA-N
-rxn:2:148377:73038,CCCc1cnc2c(c1NC(CC)c1cnc(N3CCN(CC)CC3)cc1C)c(=O)n(C)c(=O)n2C,AXCSQWLGWYNPDY-UHFFFAOYSA-N
-rxn:2:151254:101788,CCN1CCN(c2nc(C)c(C(C)Nc3c4c(nc5ccc(C(C)(C)C)cc35)CCC4)c(C)n2)CC1,ZCTYOMQODJZALH-UHFFFAOYSA-N
-rxn:2:151254:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2c3c(nc4ccc(C(C)(C)C)cc24)CCC3)CC1,KBEPGULXJQOLFL-UHFFFAOYSA-N
-rxn:2:151254:73038,CCC(Nc1c2c(nc3ccc(C(C)(C)C)cc13)CCC2)c1cnc(N2CCN(CC)CC2)cc1C,IVDQSYJHQHDOEX-UHFFFAOYSA-N
-rxn:2:152451:125863,CCN1CCN(c2ncc(C(C)Nc3cc(C)n(C)c(=O)c3S(=O)(=O)CC)c(C)n2)CC1,UUHPNPVYFUOBKJ-UHFFFAOYSA-N
-rxn:2:153742:73038,CCC(Nc1ccn(C)c(=O)c1S(=O)(=O)CC)c1cnc(N2CCN(CC)CC2)cc1C,CFISTDVVUAAOMR-UHFFFAOYSA-N
-rxn:2:153938:105574,CCn1cc(NC2CCc3nc(N4CCN(C)CC4)ncc32)cc(S(=O)(=O)C(C)C)c1=O,NZCZJMQKXCFWPS-UHFFFAOYSA-N
-rxn:2:153938:135127,CCn1cc(NC(C)c2cnc(N3CCN(C)CC3)nc2C)cc(S(=O)(=O)C(C)C)c1=O,DXGOMFJPPGWQRA-UHFFFAOYSA-N
-rxn:2:153938:79130,CCn1cc(NC2CCN(c3cncc(OCC(C)C)c3)CC2)cc(S(=O)(=O)C(C)C)c1=O,LGHCJKZAKUUZLO-UHFFFAOYSA-N
-rxn:2:153938:94440,CCC(Nc1cc(S(=O)(=O)C(C)C)c(=O)n(CC)c1)c1ccc(N2CCN(C)CC2)nc1,OCHPNOYWGQJVOK-UHFFFAOYSA-N
-rxn:2:156021:94440,CCC(Nc1c(C)c(C)n(C)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(C)CC2)nc1,HMMOQMIKXFKXIS-UHFFFAOYSA-N
-rxn:2:156169:130197,CCc1[nH]c(=O)c(S(C)(=O)=O)cc1CNC(CC)c1ccc(N2CCN(C)CC2)nc1C,VDXINWVMGGRIKC-UHFFFAOYSA-N
-rxn:2:156169:79130,CCc1[nH]c(=O)c(S(C)(=O)=O)cc1CNC1CCN(c2cncc(OCC(C)C)c2)CC1,GJWJRMCVTLLVPZ-UHFFFAOYSA-N
-rxn:2:157678:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccn(C4CC4)c(=O)c3S(C)(=O)=O)c(C)n2)CC1,XCEMWRWXUQIJRT-UHFFFAOYSA-N
-rxn:2:157678:134221,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1cnc(N2CCN(C)CC2)cc1C,ZKDFQPBULMSPIC-UHFFFAOYSA-N
-rxn:2:157678:79130,CC(C)COc1cncc(N2CCC(Nc3ccn(C4CC4)c(=O)c3S(C)(=O)=O)CC2)c1,PFKSIGWCIAWXHV-UHFFFAOYSA-N
-rxn:2:157678:87087,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1cnc(N2CCN(C(C)C)CC2)cc1C,TYRPYGMEODGCGG-UHFFFAOYSA-N
-rxn:2:161571:125863,CCN1CCN(c2ncc(C(C)Nc3ccn(C4CC4)c(=O)c3S(=O)(=O)CC)c(C)n2)CC1,XNKSVCZTQUBOBR-UHFFFAOYSA-N
-rxn:2:161571:134221,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1cnc(N2CCN(C)CC2)cc1C,HRHSNNSVEAIIAG-UHFFFAOYSA-N
-rxn:2:161571:79723,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(CC)CC2)nc1C,KAHWDLWHTWBEFW-UHFFFAOYSA-N
-rxn:2:161828:130197,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(C(C)C)c1)c1ccc(N2CCN(C)CC2)nc1C,RORZOCIZSKPFPA-UHFFFAOYSA-N
-rxn:2:161828:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(S(=O)(=O)CC)c(=O)n(C(C)C)c2)CC1,SNVMEMVYFLRDLG-UHFFFAOYSA-N
-rxn:2:161828:86695,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(C(C)C)c1)c1ccc(N2CCN(CC)CC2)nc1,PFTXLJHIKMXGRE-UHFFFAOYSA-N
-rxn:2:165471:79723,CCC(Nc1ccc2oc(=O)n(CCC(C)(C)C)c2c1)c1ccc(N2CCN(CC)CC2)nc1C,GVDXPMZGJZDHKK-UHFFFAOYSA-N
-rxn:2:165833:73038,CCC(Nc1cc(C)n(C)c(=O)c1S(C)(=O)=O)c1cnc(N2CCN(CC)CC2)cc1C,SZGNIEXUIUYYSO-UHFFFAOYSA-N
-rxn:2:66407:133082,CCSc1ccc(C(CC)NC(CC)c2ccc(N3CCN(C)CC3)nc2C)c(OC)c1,TZALNTJEBNHNAR-UHFFFAOYSA-N
-rxn:2:67476:165176,CCC(NC1CCCc2ccc(S(=O)(=O)F)cc21)c1ccc(N2CCN(CC)CC2)nc1,BNEWDBCWNKYVDD-UHFFFAOYSA-N
-rxn:2:67497:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(N4CCOCC4)c(C)c3)c(C)n2)CC1,ARCCZXKYCSFJPP-UHFFFAOYSA-N
-rxn:2:67662:73038,CCC(Nc1ccc(N2CCSCC2)c(C)c1)c1cnc(N2CCN(CC)CC2)cc1C,CSRBSQUWJLCLKW-UHFFFAOYSA-N
-rxn:2:68609:134221,CCC(Nc1ccc(N(C)C(C)C)nc1OC(C)C)c1cnc(N2CCN(C)CC2)cc1C,IOHFQTZNTYECNV-UHFFFAOYSA-N
-rxn:2:69009:93388,CC(C)C1CCC(NC(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C(F)C1,MJOVGJPCVURHJI-UHFFFAOYSA-N
-rxn:2:69009:95908,CC1CC(C)C(F)C(NC(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)C1,DKCNKTBZZAHDRK-UHFFFAOYSA-N
-rxn:2:71607:155390,CCC(C)N1CCN(c2ccc(CNC3CCc4c(-c5ccc6c(c5)OC(F)(F)O6)cccc43)cc2)CC1,NWMMTUNUSVWCNQ-UHFFFAOYSA-N
-rxn:2:71607:165176,CCC(C)N1CCN(c2ccc(CNC3CCCc4ccc(S(=O)(=O)F)cc43)cc2)CC1,WQFUZWFWJHSKLC-UHFFFAOYSA-N
-rxn:2:72876:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC(C)(C)c2ccc(C(C)C)n(C)c2=O)CC1,ROIKMBIWVPQHDA-UHFFFAOYSA-N
-rxn:2:72878:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2ccc(N3CCCN(C)CC3)nc2)c1C,WWHZESKEUDIJFR-UHFFFAOYSA-N
-rxn:2:73607:87087,CCC(NCc1cc2c(n(C)c1=O)CCC2)c1cnc(N2CCN(C(C)C)CC2)cc1C,KFKDWEJCHIVXMY-UHFFFAOYSA-N
-rxn:2:73833:118161,COc1cc(CCNC2CC3(CC(F)C3)C2)c(OC)c2c1C1CCC2C1,VJKBOLRPJDSXLI-UHFFFAOYSA-N
-rxn:2:77326:73773,CCC(NC(c1ccc2c(c1OC)COCO2)C(C)C)c1ccc(N2CCN(C)CC2)nc1,FMWNTRKZVLLZAB-UHFFFAOYSA-N
-rxn:2:79686:141775,CCC(Nc1c(C(C)C)c(=O)[nH]c(=O)n1C)c1ccc(N2CCN(C(C)C)CC2)nc1C,ILKYFHFSCYWDQX-UHFFFAOYSA-N
-rxn:2:82760:86695,CCc1cc(=O)n2c(c1CNC(CC)c1ccc(N3CCN(CC)CC3)nc1)N(C)CCC2,NGYXLFUEDQKEJQ-UHFFFAOYSA-N
-rxn:2:83091:88191,CC(NC(C)(c1nnc[nH]1)C1C2CC3CC(C2)CC1C3)c1cccc2c1CCC2(F)F,BUJCMLFARKESQZ-UHFFFAOYSA-N
-rxn:2:83312:87087,CCCn1c(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)cc(=O)n(C)c1=O,LKTCSFZOAKWSKL-UHFFFAOYSA-N
-rxn:2:85088:134221,CCC(Nc1cc(N(CC)CC)ccc1S(C)(=O)=O)c1cnc(N2CCN(C)CC2)cc1C,PZCAHTJQLKIWPM-UHFFFAOYSA-N
-rxn:2:85088:135127,CCN(CC)c1ccc(S(C)(=O)=O)c(NC(C)c2cnc(N3CCN(C)CC3)nc2C)c1,HPZJYXXACXHFTR-UHFFFAOYSA-N
-rxn:2:85088:79130,CCN(CC)c1ccc(S(C)(=O)=O)c(NC2CCN(c3cncc(OCC(C)C)c3)CC2)c1,YILGAOCMAVDCGX-UHFFFAOYSA-N
-rxn:2:86121:165431,CCCn1cc(NC2CCCc3nc(N4CCN(CC)CC4)nc(C)c32)c(C(C)C)cc1=O,ITMKALKVLDWSCA-UHFFFAOYSA-N
-rxn:2:87145:73038,CCC(NC(C)c1cc2c(n(C)c1=O)CCC2)c1cnc(N2CCN(CC)CC2)cc1C,OTYHVRAOLHEGQS-UHFFFAOYSA-N
-rxn:2:87522:79723,CCC(Nc1ccc(N(C)C)cc1OC1CC1)c1ccc(N2CCN(CC)CC2)nc1C,OQCAVXONBMGVJH-UHFFFAOYSA-N
-rxn:2:87711:82488,CCCC(NCc1cnc(N2CCN(CC)CC2)c(C)c1)c1cccc(S(=O)(=O)CC)c1,XEYVWHDSOUTWGF-UHFFFAOYSA-N
-rxn:2:89569:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ncc(S(=O)(=O)CC)c(C)n2)CC1,OWPKKAZTMWQOHS-UHFFFAOYSA-N
-rxn:2:89807:133217,CC1(C)C(NC(CC2C3CC4CC(C3)CC2C4)c2nnn[nH]2)c2ccccc2C1(F)F,SDGPXBXDMABBIN-UHFFFAOYSA-N
-rxn:2:90494:87087,CCCc1c(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)n(C)c(=O)[nH]c1=O,KWBMTWJDZZXHLP-UHFFFAOYSA-N
-rxn:2:90756:125863,CCN1CCN(c2ncc(C(C)Nc3cc(OC)c(S(=O)(=O)C4CC4)cn3)c(C)n2)CC1,XFBHCGVOYQMDQL-UHFFFAOYSA-N
-rxn:2:90756:130197,CCC(Nc1cc(OC)c(S(=O)(=O)C2CC2)cn1)c1ccc(N2CCN(C)CC2)nc1C,SEPIHMQEXZEKAL-UHFFFAOYSA-N
-rxn:2:94667:165176,CCN1CCN(c2cc(C)c(C(C)NC3CCCc4ccc(S(=O)(=O)F)cc43)cn2)CC1,OQQVYCHSXQZMQL-UHFFFAOYSA-N
-rxn:2:95447:73038,CCc1c2c(nc(OC)c1CNC(CC)c1cnc(N3CCN(CC)CC3)cc1C)CCC2,ALUOAYUQUREKKG-UHFFFAOYSA-N
-rxn:2:97355:73038,CCC(Nc1c(N(C)C)cc(C)n(CC)c1=O)c1cnc(N2CCN(CC)CC2)cc1C,GJGJZDKWUQQVEA-UHFFFAOYSA-N
-rxn:2:98072:73773,CCN1CCN(c2ccc(CNC(c3ccc4c(c3OC)COCO4)C(C)C)cn2)CC1,NLOJFSMNDAPUJL-UHFFFAOYSA-N
-rxn:2:98638:79723,CCC(Nc1cc(N(C)C)c(C)c(C)c1OC)c1ccc(N2CCN(CC)CC2)nc1C,MGLFKRMHMAIMPQ-UHFFFAOYSA-N
-002D65E9EC57A683_5366C7BE4D3D1366_6041_UN,C1(=CC(=CC=C1)C2=NOC(=N2)C3=NNC(C=C3)=O)N[C@H]4[C@@H]5[C@H](C4)[C@H]([C@H](C5)O)O,AHAOUNVZDNDRGV-DLYIQGBQSA-N
-018DE992931B8F24_CB7EBBC3E183432F_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(=CC3)C4=C5C(=CC=C4)C=CC=C5,FLBDWEMEZCPITA-UHFFFAOYSA-N
-025387FC0062FCA1_653F4B6CF16852AB_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,HJSOOQFIACSTTM-UHFFFAOYSA-N
-029A5787D335FCDA_069D950597582773_6041_UN,O[S](=O)C1=CSC=C1NC4=C(C2=NN=N[N]2[C@@H]3C[C@H]3C)C=CC=C4C,XHNCCMSQVOTQEF-ZWNOBZJWSA-N
-02CEAE869B203327_C7964A8F424E18ED_6038_DP,OC(=O)C(NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)CCC#N,JLXJROZPDZZQFU-OJRHAOMCSA-N
-030B787B8B3BBEE3_92243FBBB4ABF4C5_6038_DP,N1CC(=CC1=O)OC(CC2=CC(=CC(=C2)OC)OC)=O,JAEPECAJJWAWCU-UHFFFAOYSA-N
-03CF851AAA4FBF9C_094DA10D65BD0F88_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(N(C)C)N=CC(=C3)Br,LMDPVLAYPWAUDD-UHFFFAOYSA-N
-0423D8D7AB73B457_057656B3754D5B49_6041_DP,N1CCN(CC1(C)C)C2=NC(=NC=N2)NC3=C(C=CC=C3)[As](=O)(O)O,LWNBFFVWUFXZBH-UHFFFAOYSA-N
-066386ECE13C7B45_2160B7661CCF1ACF_6036_UN,CC(C1=CC(=NC=C1)Cl)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,JXMYAMAPZDMLMP-UHFFFAOYSA-N
-07472542F3D866B5_CE9805721651055D_6038_DP,COC(=O)[C@@H]1CC[C@@H](CC1)NC(C23CC(C(O)=O)(C2)C3)=O,BPGLOIUJHPQJIH-SEGBCRLWSA-N
-07741D35D8D1CC7F_A8DA01181A7AACEF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](C)=O,JATMTFRGQNSVBB-UHFFFAOYSA-N
-0812398787857F0E_C1132B2626336DB6_6029_UN,N(CC#CCO)[S](C1=C(C)C=CC(=C1)C2=N[N](C=N2)C)(=O)=O,WTLNVCNKWJFKLF-UHFFFAOYSA-N
-08FE8C91658A0067_F13BE9E3568A9688_6038_UN,COCC(NC(COC1=CC=CC(=C1)OCC(C)C)=O)C2=NN=N[NH]2,NCIKXYUWVUEBFU-UHFFFAOYSA-N
-094D1A91BE468483_DCFBC2FA2C2D6F39_6028_UN,N(C1=CC(=CC=C1)B(O)O)[S](C2=NN=N[N]2C3=C(C=C(C)C=C3)C)(=O)=O,GOHVTXURKGCHEW-UHFFFAOYSA-N
-0998F88EA13A45A0_D232709BCAAB695A_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=C(N=CC=C3)C#N,PMDZREQSLOCNNC-UHFFFAOYSA-N
-09D5D81B298F5981_367CA823B3840160_6041_UN,FC1=CC=C(C=C1)CC2=NOC(=N2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,SNRNEGIWWKEQNW-HUUCEWRRSA-N
-0BAAC708A960E2AC_4772BDA278159180_6041_UN,C1(=C(C=NC(=N1)C2CC2)C#N)NC3=C(C(=CC=C3)F)S,PEJJSPFORDGEGP-UHFFFAOYSA-N
-0CDE67E74F7FD564_B99567D53AAE9EC3_6026_UN,COC1=NC=C(C=N1)[S](=O)(=O)NCC2=CC(=CC=C2)N3CC=CC3,QTCNQLZSEUMPRI-UHFFFAOYSA-N
-0D25A8B1F1BDA5C4_97236B10D8F8CE0D_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=CC3=C2OCO3)F)S,UXHYYLFHBISMNC-UHFFFAOYSA-N
-0EA1249DD0664B86_AF88724305D79A4B_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,JMCBUIUOELALGE-UHFFFAOYSA-N
-0EE302034D58099F_EE6B35A692E4927C_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CC(N)CC4,RKCAYMNHQAOSKF-UHFFFAOYSA-N
-0F062D704A5FF19D_A68B7C9F485EFFB9_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(C)C=C(N=C3)O,QDNRBQHNRNEGCE-UHFFFAOYSA-N
-103A40ED09CA2D0B_CBBB95314DE4B45E_6038_UN,CC[C@H](NC(C12CC(C(OC)=O)(C1)C2)=O)C(=O)OC3CCCCC3,REOAJOMPKQBSLX-TZYSRNFLSA-N
-1043F35C37B000C4_23C3F5EE44D0BA98_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(CC3=CC4=C(C=C3)OCO4)CC5,WDKSVSBZUSMPGP-UHFFFAOYSA-N
-104F77C47FFD44D9_96DEB5850D5AC1AD_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(B(O)O)C=CC=N3)(=O)=O,GBNNHRWXMWGYRT-UHFFFAOYSA-N
-10739AE3BB0775BD_29D3EB97BA205776_6028_UN,CC(C)C1=CC=C(C=C1)C3(CN[S](C2=NN=CC=C2)(=O)=O)CCCC3,HBSOTPWPDAULCT-UHFFFAOYSA-N
-10AA94A2F299FCB8_EC7C6E0B3A655384_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3([S](CC)(=O)=O)CC3,WXQAJJFKTPXSJK-UHFFFAOYSA-N
-116485DCCAA3AD01_BF04B701435440F0_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3([S](C)(=O)=O)CCC3,STFAAUOXGRJFBD-UHFFFAOYSA-N
-11BDA5EF4BEEE44A_662D18F78536D865_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCC(OC3=C(F)C=CC=N3)C4,ADSCIOYQQMYSDP-UHFFFAOYSA-N
-12CAFC1CC6FA1B37_55816D0990EC2B46_6038_DP,CCC[C@H](NC([C@H]1[C@@H](CNC1)CC2CC2)=O)C(=O)OC,NZLNVRSKXPIAFV-UPJWGTAASA-N
-130D4B36DED177F6_B81383C79542C8BB_6041_UN,CC1=NC(=NC=C1)N[C@H]2[C@@H]4C[C@H]([C@@H]2C3=CC=CC=C3)[C@H]([C@H]4O)O,ITKWNHSJQIFRLW-AOEXVQCMSA-N
-1459520A6863799D_6D9F972BF121A05B_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC(C)CC4=CC=C[N]4C,JBXCLJGKEUJELT-UHFFFAOYSA-N
-147F3949068389DC_47CFBA43827CEC91_6038_UN,S(C1=C(C=NC=C1)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,QBVXAXFNKPXFQJ-ZJUUUORDSA-N
-147FE06ED47E6EF1_01C1FF328AFB0120_6026_UN,CC1=CC(=CC=C1)[S](=O)(=O)N3CCC(CC2=CC(=C(C)C=C2)C)CC3,VQCNTPVZCSKYCM-UHFFFAOYSA-N
-1836E65148B85532_2ACF5D1DE68BD10B_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(F)C=CC=C3)C4CCC4,NUYVNXISMXJSHI-UHFFFAOYSA-N
-18783BA47A0C7AF4_ED6DE13167CFFF6B_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(COC)C=CC=C2,BAHPZCFDXZUQJI-UHFFFAOYSA-N
-187973A8E4E076F3_18B7766E1016CBB4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCC4C[S](CC4)(=O)=O,NISQAVBOPCRLPS-UHFFFAOYSA-N
-191EB10F61AAA4E8_697DD7962E6FB714_6039_UN,O(CC1CC2CCC1O2)CC3=NC(=NO3)C4=CC(=C(C=C4)OC(F)F)OC,SWRHWHUNVLIEHG-UHFFFAOYSA-N
-19538FB14B2779E6_8B6D078786ADBDF5_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3(C(C)=O)CC3)=O,GBJKNNMBKHVNIS-UHFFFAOYSA-N
-1984E053396314C7_D01A5D1344BC45B5_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)NCC(O)C(O)C=C,JRKWNDNECYLDEC-UHFFFAOYSA-N
-19ED07F405301FA8_F6491103DB128EED_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2C(CCC3)=O)NC4=CC=C(CC[Si](C)(C)C)C=C4,VHSYPBOSCMMKGF-UHFFFAOYSA-N
-1A2F3A6B415957E0_9C184877F4F3F283_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,DPWSXVDLGNPNFA-AWEZNQCLSA-N
-1A7BF3EA92FFC936_65CD1E60FE99FCFA_6038_UN,COC(=O)[C@@H](NC(CCC[Si](C)(C)C)=O)CC1=C[NH]C=N1,YWJDRGMZMOFIIN-LBPRGKRZSA-N
-1A873B5381F23D55_8F1F6646E73F784D_6038_UN,CC(C)[N]1C=C(N=N1)C(C)OC(CC2OB(O)C3=C2C=CC=C3)=O,ITYZJKYYBRRKEO-UHFFFAOYSA-N
-1BE00C33C7F3848F_D008E002E4F71D84_6031_UN,COC[C@@H]1CC[C@@H](N1)C(=O)OCC23CCC(C)(CC2)CO3,HHUQZFYGLPHOSP-LOCSVTFISA-N
-1C08EC07095FBCD8_B1ED2984868BE766_6038_DP,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C([C@@H]4C[C@@H](CN4)N=[N]#N)=O,VLFRJHLYNKXAEF-KBPBESRZSA-N
-1CF1614597F88153_9F0811B02D7DE561_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCC1C)=O)C2(C)C,QYEKMSRGEAPGMG-MVKMKZAISA-N
-1DF6BC9DF40D33E4_84A605B102BE04AF_6036_UN,CC(C1=CC=C(C=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,FAHKHBBSLXFVGF-UHFFFAOYSA-N
-1FF7131519D485E2_77167E2C4C02045A_6038_DP,N1CC2(C1)C3(CC(O2)(C3)CNC([C@@H]4C[C@H]4COC)=O)C(=O)N,YGSPZQLVZKCGKW-ZQWUNSGPSA-N
-204BF225CE728299_B950B8D69469DDF3_6038_UN,N(C1=CC=C(C=C1)CC2=NN=N[NH]2)C([C@]3(C[C@H]3C(OC)=O)C)=O,HOYPRJYXVZQGAG-NHYWBVRUSA-N
-20AD9C402B2D4920_2516AA88811223B4_6035_UN,CC23CCC(COC1=CC(=C(C=C1N)F)OC)(CC2)CO3,UMBKGWXXOOGISU-UHFFFAOYSA-N
-2101244F2A6BD4C9_CE76D212DE898A84_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C([N]2CC(C)C)C3=CC=CO3)(=O)=O,HZOZKDWSVQCCQV-UHFFFAOYSA-N
-2198F8116A385DA3_025AE16BF3A94588_6038_UN,CCO[P](=O)(C)CCC(NC(C1=C(C(C)C)SC=N1)=O)C#N,YNKZWSXYKCNNGG-UHFFFAOYSA-N
-21B11F5EC2261550_110532349E4C8C2C_6038_DP,COC(=O)C[C@@H]3C[C@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C3(C)C,XSUDEJIFCSKPBH-UGUYLWEFSA-N
-235A9F4CE19F6DD2_5D2A8319F5386219_6038_UN,CCOC(=O)[C@@H](NC(CC(OC)C)=O)CC1=C[NH]C=N1,VNZIYKRHARDKID-UMJHXOGRSA-N
-23F2A7363E7E4E1A_09690A50E2882620_7019_UN,CC3(C)CCC(C=CC1=C([N](C)C2=C1C=CC=C2)Cl)C3,YQVKTDPDQLIPIR-UHFFFAOYSA-N
-246DAEB15F9F1ADB_75401857B25AEDA3_6038_UN,O(CC(=N)NO)C(C23CC1CC(CC(C1OC)C2)C3)=O,PWFOZVBENRGZPY-UHFFFAOYSA-N
-251D670A4551E456_5E79AF25AA307E9E_6038_UN,CN4C=C(NC(C23CC1(CC(CC(C)(C1)C2)(C)C3)F)=O)C(=O)NC4=O,LATNUHBIBAOSKR-UHFFFAOYSA-N
-2563F424B8C7F981_FD659FF9174F4332_6031_DP,N2C[C@@H](CC1CC1)[C@@H](C2)C(=O)OCC3=N[N](C(=C3)OC)C,BIYPIBHYKCOCQR-DGCLKSJQSA-N
-25AAA7D6F9C4D372_509DCF5E8E3AAE24_6034_UN,CC2=C[N]1N=NC=C1C(=O)N2C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl,FQCAIDMTAKYYPL-ZFWWWQNUSA-N
-25E5FCBE2A3CAA18_C1224E7CB969C8DD_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C4=NC=CC=N4,BRDDAKYVUMPLCU-UHFFFAOYSA-N
-272C687BDC5E4ED2_5E9751553555CAB5_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC(=C2)C#C)(=O)=O)C3=NN=CC=N3,WIIZIMPZPBPJQY-UHFFFAOYSA-N
-276564F76C0F1698_44E109F0BA2C8568_6034_UN,BrC1=CN=C(N(C1=O)C[C@H](N)C2=CC=CC=C2)C3CCC3,NFICZSZLTUTRSU-AWEZNQCLSA-N
-27E6D6E9EB7153EB_1E1DF5538EB66EC6_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NC(C2=N[NH]C(=N2)C(C)C)C,KEEGTHSGGWSGQF-UHFFFAOYSA-N
-28E824FC93C3170B_A0DAA0D8F944A324_6006_UN,CC(O)C1CCN(C1)C2=NC=NC(=C2)C3=CC=C([Si](C)(C)C)C=C3,SNWKHTOOIWAFKS-UHFFFAOYSA-N
-28F5066AE3826B1F_558179570203F27B_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,BGXWCXLARDSXFG-UHFFFAOYSA-N
-2A245BD70630BF6C_DF2CEE9DBBF6665F_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(OC)C=CC(=C3)Br,IIFXSXPAMKFVFH-UHFFFAOYSA-N
-2AEFEF6281832242_8D0114425E17D903_6038_DP,CCC(CNC(C[C@H]2[C@H]1CCC[C@H]1CN2)=O)C(=O)OC,DPNNLIMWZSLYIS-FNHRNIBMSA-N
-2AF76F881C3FE471_1A3B1B2367BAC5D1_6034_UN,ClC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC4CO[S](=O)O4)=O,WGLSANJFGAGHNW-UHFFFAOYSA-N
-2B1B6B40E47042A2_2B7A312C31E5A170_6038_UN,N(C1=CC(=CC(=C1)F)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,GELHIEHKOSEQGB-NWDGAFQWSA-N
-2B3786787BC97D1A_09465CC504D6C44A_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CC3,LUSOSGFSPNMZAK-UHFFFAOYSA-N
-2B95493653BD3B77_243CF5E847A51BFF_6006_UN,CCN1CCN(CC1C)C2=NC=NC(=C2)C3=CC=C([Si](C)(C)C)C=C3,COAYHGAZHRPTPT-UHFFFAOYSA-N
-2C39A6F7F5478661_5AEC00ABE5339F3C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCC4C[S](C4)(=O)=O,XLKXASWHBBXYDS-UHFFFAOYSA-N
-2CD6D297A09F0B9C_72C7BECC216ADF37_7019_UN,OC1=CC2=C(C=C1)C(=CC(=O)O2)C=CC3CC=CCC3C,WIZXFERFSSPXLA-UHFFFAOYSA-N
-2DCF59FC2A4D5875_28256F05A0507997_6035_UN,O(C1=CC=CC=CC1=O)C2=CC(=C(C=C2)C)C(OC)=O,ZDPSJSMFECDOHA-UHFFFAOYSA-N
-2DF67D5C9305EDF1_03F16AFA8611DB7E_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=CC(=C(SC)C=C3)F,LKVNEENPNCJAGZ-UHFFFAOYSA-N
-2E59D9B90AAEA90B_44CC5A38981D4EBC_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NCCC2=CN=C(N=C2)C3CC3,NHVPJSXHFXKCRH-UHFFFAOYSA-N
-2EAEBC98D8E7022F_F0486E9E7A699755_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3([S](N(C)C)(=O)=O)CC3,MKJIOYNLKWHBGF-UHFFFAOYSA-N
-2EF24FE8ABB6F354_FC59776BDD08D157_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(CC3=C(C)C=CC=C3)CC4,VVLHZGGQVCKOLS-UHFFFAOYSA-N
-2F0B648B0000F6E4_AEACAA66A2D7ADEF_6038_UN,CCO[P](=O)(C)CCC(NC(C2=CN=C(OC1=C[N](CC)N=C1)C=N2)=O)C#N,OOKXWGIXOAKPFD-UHFFFAOYSA-N
-2F238672AA41DF57_600732A71C175A11_6041_UN,OC(=O)C1=CN=C(N=C1)NC2C(C3=C(OC2)C=CC=C3)=O,ADRRGTAZVANBKA-UHFFFAOYSA-N
-2FE8FD08FBC1F701_498963A415F59388_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC(=C4)C#N)[S](C)(=O)=O,SRQMZNQAAYFLAH-UHFFFAOYSA-N
-2FEA04D8D04FE1BD_8F33ACA0A093937E_6041_UN,CC1=N[N](C)C(=C1N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C)F,BZJZVMWOIMFZIU-QIYVGLNVSA-N
-315E89F6901B3799_761BD07841D2D2E1_7019_UN,C(C(=O)NC(=O)C1=CC=CC=C1)=CC2=C(O)C=CC(=C2)C3=CC=CC=C3,MEUUJVLJAVYSCI-UHFFFAOYSA-N
-31EF4CB6B55943BD_0E0B874271F905BD_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,NYKFANXNCVQMLR-UHFFFAOYSA-N
-33025FC92FA61CB2_903C47D095E7572E_6034_UN,FC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3CCOC3C4=CC=CC=C4,YBDSBODHWSIKFA-UHFFFAOYSA-N
-33984947470D572A_F2A7E161D3DC883D_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC(CC)C[S](=O)(=O)C3=CC(=C(C=C3)C)C,LMMMLGJONRFNPF-UHFFFAOYSA-N
-34B2AB50CCC5D25F_9AF5BBB19645BCD1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCC4CC[S](CC4)(=O)=O,VWUPCKYUIKNFBZ-UHFFFAOYSA-N
-36023CD0F999EEF0_2C22EE27A73A3D0F_6029_UN,N(C1=CC=C(C=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)O)(=O)=O,QQUMABWJRKZEIL-UHFFFAOYSA-N
-3691C2AC460A8AB6_233ED82B020C3020_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,ZEBUIYOKGPNLBD-UHFFFAOYSA-N
-38170FD437930DD7_98433A83E8E78D23_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)N[C@@H]2CCO[C@H]2C3=CC=N[N]3C(C)C,JYTUORPGFONIDI-BXUZGUMPSA-N
-39A025CF5429C967_C5462ACDCC1D2B68_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC(C3=CC=CC(=C3)OC)=O,LUBHETVARQLPCP-UHFFFAOYSA-N
-3A86677EC271A452_94CEB5EE711994F2_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(C2=CC=CC(=C2)OC)C)=O,XJWXTSQVYFGKEU-FFFFSGIJSA-N
-3BFF126B298DC9A8_2634BC15F685599D_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC(C3=CC=CC(=C3)C(OC)=O)(C)N,YMCMWFVPRDLPPZ-UHFFFAOYSA-N
-3C25122A99694354_65087A64915D0CB4_6043_UN,CC2=C1C(=C(C=CC1=CC=N2)F)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,QTTKPLYJWRLKTH-UHFFFAOYSA-N
-3C2861C568FCB181_622E6C569F982C50_6005_UN,O=[N](=O)C1=C(C=CC(=C1)C2=CC3=C(C=C2)C=CC(=C3)O)F,YIHXQTPGRISCCJ-UHFFFAOYSA-N
-3F0E21CF071EF8C3_131E838FE275292B_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCCC3(C[S](C)(=O)=O)CC3,VVXVOLFVDCOWRS-UHFFFAOYSA-N
-3F80DEB931CDAA47_9FFF870A716385BF_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,PVDQBECIZQSYDE-UHFFFAOYSA-N
-405A21FE8BB160E4_F49317C871E70ACD_6041_UN,OCC(O)C1=NC(=CC=C1)NC(C)C[N]2C=C(C)C=N2,CDELIRCMTQIEHG-UHFFFAOYSA-N
-4066EC963C811561_8A5B4D4A62106C63_6038_UN,CC2=C(NC(C1(C(CC)=O)CC1)=O)C=N[N]2C[Si](C)(C)C,XMWMFLCRZVNGEL-UHFFFAOYSA-N
-409C17A02A3DB899_F12BF220A3635ACF_6038_UN,C[N]1C=CN=C1CN2C[C@@H](F)C[C@H]2CNC(C3=C[NH]N=C3C4=C[N](CC)N=C4)=O,VJAJHFDEFQXRBW-GJZGRUSLSA-N
-40F32A505BE2FA71_657973C6812A1A85_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(C(OC)=O)CC(C)(C)C,RUPCJZBBJOHEQH-UHFFFAOYSA-N
-414F5644994FE1EA_80949997B9BD5B0D_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C=C(C)C=C3)F)(=O)=O,PDXOQQMSLUMQMQ-UHFFFAOYSA-N
-4170A137BF1F1FEA_417155174E8726FD_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NC3C(OC(C)(C3)C)=O,WUJVNYLLSOLQBG-UHFFFAOYSA-N
-4251449B13BF5B0D_396D0F7C34B80324_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3([S](C)(=O)=O)CCC3,SKWZWROOGZTLAG-UHFFFAOYSA-N
-433BC87EEF524104_A42085242C8EA3EE_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,ONERBXMSGWFDLA-UHFFFAOYSA-N
-438FB3CD7BE98398_EB34090C0BF45DFE_6038_DP,COC(=O)[C@@]13[C@@H](C1)C[C@H](NC(C(C2CCNCC2)=C)=O)C3,HYQXEZMWDYDPTG-WWGRRREGSA-N
-43F3BF5EF9211A8D_258216CC02802677_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=C(C=C(OC)C=C2F)F)=O)C=C3,XCJCMXRSNPCLSW-UHFFFAOYSA-N
-43FF00F9E4244AEB_A5A42BE414727B44_6041_UN,CC(C)C1=NC(=C(C=C1)C#N)NC2(CCC2)C3=C(C=CC=N3)F,GSVAYARSRHTRGW-UHFFFAOYSA-N
-44062023C0A1BF1B_B9DA93F53826E8B4_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=NN=CC=N3,JBDKRYBDQITRKX-UHFFFAOYSA-N
-45D03FCD84687F83_80BC1AF8AAAC6073_6041_UN,CC2=C1CCCC1=CC(=C2)NC34CC5(C)CC(C3)(CC(C4)(C5)F)C,LBAOEPJRPQOTRA-UHFFFAOYSA-N
-462961DBAAB44AAC_801D8DE5FC8CE29B_6041_UN,CC1=C(C=C[N](=C1)=O)NC(C(OC)=O)C[N]2N=CN=C2,QUBHRABWDKXWSA-UHFFFAOYSA-N
-46A54F1DEBCF89DB_5E81DE24B3DD9F41_6029_UN,N(CC1=CC=C(C=C1)CCO)[S](C2=CC(=NC=C2)N3CCOCC3)(=O)=O,BZCZODKUWMDAQW-UHFFFAOYSA-N
-46D72EDD299EED40_B023BADC44FE3BAC_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCC3,YXCDIJODYAEZBN-UHFFFAOYSA-N
-46E9287750572EF1_7002D0D7DDAD8FC4_6036_UN,CC1=CC(=CC=C1)C(CN2[S](CC3=C(C)C=CC=C23)(=O)=O)N4CCNCC4,ZRRUOCHDYSYGRJ-UHFFFAOYSA-N
-46F198721B3C84A7_F4D4F7101C24B2FB_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,OIWGTGMMVHXESS-UHFFFAOYSA-N
-479266F60C149E8A_A3DE8D1E1ECEAD97_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3(C)C[S](C3)(=O)=O,QFPLYCHVOOEYSX-UHFFFAOYSA-N
-480908AE5AA02C76_6275F6DB7703C266_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,RMPOHXMHTKOBGS-UHFFFAOYSA-N
-48A451454B567AE4_61A654994F2D7380_6038_DP,CCC[C@@H](NC([C@@H]1CCO[C@H]1C2CCNCC2)=O)C(=O)OC,NZNQQULTISPQAN-MCIONIFRSA-N
-49EDC290F490D924_E1B536B3F712ABA2_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CC3,ACRLCMGHQMMHFN-UHFFFAOYSA-N
-4B3D4880F64FAF4E_376F13EA78E9C410_6038_UN,COCC23CC(COC(=O)C1CCCN1N=O)(C2)OC3,FLUYPYDOCSAILR-UHFFFAOYSA-N
-4BF385FDAF64CDC1_730A3C290D3A1921_6029_UN,C1CN(CCN1[S](C2=CC(=CC3=C2C=CC=C3)C(F)F)(=O)=O)C4=NN=CC=N4,JYVUQOJSPCSBGU-UHFFFAOYSA-N
-4BFEEDF2AB6AD5E9_2998BA9E3FC169D9_6029_UN,C1=N[N](C=C1C2=NC=NC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,FDCDYIOCVYPQPS-UHFFFAOYSA-N
-4D5AB69274BA0801_CA6DCE51D060A71F_6036_UN,C(C1=CC(=C(C=C1)F)C2=CC=NC=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,GWUJVOKKMBKVFW-UHFFFAOYSA-N
-4D6DE9A3D07A0EF9_357D60866DBABB41_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC3=CCOC3=O,JUHVHGKIOOMYNC-UHFFFAOYSA-N
-4DA7E3D36DDD83CC_6805E6416FA7B38D_6034_UN,BrC1=CN(C(N=C1)=O)CC34CC2(CC(CC(C)(C2)C3)C4)C,WYBFXHCKDYIYAD-UHFFFAOYSA-N
-4DE792C837E448A5_63668EEA91DC0A04_6039_UN,OC(=O)[C@H]2C[C@@](OCC1=NC(=CC(=N1)OC)C)(C2)C#N,RBUCQNXLHOKXNT-SWZMTVOYSA-N
-4F1F655CF4CF5738_1E46EBCFACE83AD7_6038_UN,C[C@@H]1[C@@H](CCCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,MSCYEYXNUQSZDB-YNQUZJHLSA-N
-5034C5EF90B621DF_C14758E39FDC86C0_6041_UN,CC(=O)C1(CC1)C2=CC=C(C=C2)N[C@@H]3[C@H](OC)COC3,KWKNJPVTLAUNFH-LSDHHAIUSA-N
-517BF3D85B7EF26C_C493A0971592001A_6029_UN,CC1C(C1)C(N[S](C2=CC=C(CO)C=C2)(=O)=O)C3=CC=CC=C3,WITLEIQNDWFGLS-UHFFFAOYSA-N
-524EDD56DB42D39E_0BA3CB1B69CD37A9_6026_DP,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=NC=CC(=C2)OC3CNCC3,QNCOYXGJCSFKQF-UHFFFAOYSA-N
-52904470C2CC7FD5_008A051D21BAE6D7_6029_DP,N2C[C@@H](N[S](C1=C(OC)C=CC=C1)(=O)=O)[C@@H](C2)C3=CC=CC=C3,QREYBADGGUJNPS-LSDHHAIUSA-N
-53853DDA515CFE90_C5084AE006EB1A59_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(N=C(OC)C=C3)OC,OATNSBNJTHUTFN-UHFFFAOYSA-N
-53DAEF867C4A50EE_8EF1B0EA2CEBF641_6038_UN,O(CC12CCC(CC1)CC2)C(C34CC(C(OC)=O)(C3)C4)=O,WJJTWRVZICJUBU-UHFFFAOYSA-N
-547A49971BB26AA5_9FC0AD7C9A547BF3_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)C(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,UHEHGTMIUYBKOC-UHFFFAOYSA-N
-5527B310910C501A_6C6818846405924F_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=CN=CC=C3,JKFVHXFSQCUBAB-UHFFFAOYSA-N
-5556CF939781E7DB_356731527F9A2B3A_6038_UN,COC(=O)[C@@H]1C([C@@H](C1)NC(=O)C(=O)C2CCCCC2)(C)C,JKNBPMHKTGGZPG-VXGBXAGGSA-N
-5627BB4F806AFBBB_5C16392E2DABB9B2_6038_DP,OC(=O)CCSC(C1=C(C)N=C([NH]1)C2=CN=CC=C2)=O,XAZWKYDGLCUNIA-UHFFFAOYSA-N
-5710C8FE7351835E_392233FDED88359F_6038_DP,CCC(COC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,XPGTVZCNLAGUBQ-WLPIGLKUSA-N
-577DF9F432FFF648_A69FFEFAA9236885_6039_UN,O(CCC(F)(F)F)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,SKOHHBKWTJZCNT-UHFFFAOYSA-N
-578274E60CD9FB03_DCC1E93E50F0A479_6041_UN,O[S](=O)C1=NC(=CC=C1)NC4=CC=C(CC2=NN=C3N=C(C)C=C([N]23)C)C=C4,VHGGSCZAZHVAQZ-UHFFFAOYSA-N
-57F91BD5552E13AC_5C5AC17A9355C127_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,PZHAQGJFSAZJQK-UHFFFAOYSA-N
-597BB2105B1900F7_1D798762F5FEA1D9_6041_UN,SC1=C(C=C(C=C1)C#N)NC2=C(C=CC(=C2)[N]3N=NN=C3C)F,ALCGSMNJXVLXPX-UHFFFAOYSA-N
-59F260A86AD4DC9F_27923BF5017786E3_6041_UN,CC[N]1C(=NN=C1C2=CC=C(C=C2)NC34CC5CC(F)(C3)CC(C4)(F)C5)S,NVYQBIBIQRQVNB-UHFFFAOYSA-N
-59FE09C2229E47C6_BBE7BFD2943C953E_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(I)C=CC=C3)C4CCC4,TVKUQLKCGCYCLP-UHFFFAOYSA-N
-5B82C87EC9CD6CE0_B9CD9C0C6A1F2764_6041_UN,CC1=C(C=CC(=C1F)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C)C#N,SZGCUKXMHAYCQP-UKRRQHHQSA-N
-5B9889852F33D8F9_9B7A9398792D4EC8_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=C(C)C=CC=C4C,QBMWGXYYUIFQFL-UHFFFAOYSA-N
-5BBF66262FAFFCEA_C7934D19C30D3458_6038_UN,COCC(NC(CCOC1=CC=CC(=C1C)C)=O)C2=NN=N[NH]2,DCKNXUZIDDOWMT-UHFFFAOYSA-N
-5C64530721D59738_9940FE969000A8E2_6029_UN,CC(C)C2=C1N(CCCC1=CC=C2)[S](C3=CC4=C(N=C3)N=CC=N4)(=O)=O,OXYSGRRTZHPCBX-UHFFFAOYSA-N
-5C688C5708842DA0_87D8EC37C334D267_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(OC)C=C(C=C2)Br)C=C3,YASNIBFUZRCQGA-UHFFFAOYSA-N
-5DC8C9AA722C36F9_3E9B0FBA4AD00E05_7022_DP,C[Si](C)(C)C1=CC(=CC=C1)OC2=CC=CC3=C2CCNC3,UCQMWCZKKYTRRD-UHFFFAOYSA-N
-5E10FC692509CD34_58B6895AE0D193C2_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC2=N[N](C)C=C2C=C3)C4CC4,SOWYGQIYQMGBGN-UHFFFAOYSA-N
-5E520FBD9F0FD605_14FBF27C467567E5_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3([S](C)(=O)=O)CCC3,XLVFBRZWXZMWGW-UHFFFAOYSA-N
-5EA223C37052C5E1_8E14C9CC39318A40_6034_UN,BrC1=CC(=CC=C1)C2=NNC(=O)N2CC45CC3(CC(CC(C)(C3)C4)C5)C,SISGLIAFUUMAJQ-UHFFFAOYSA-N
-5EA44F7B5537F1CD_8ACB945ED778A464_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(=CC3)C4=C5C(=CC=C4)C=CC=C5,ODWKFTYJWDOKQO-UHFFFAOYSA-N
-5EC565C547E089C5_EC990E329716FAFD_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(OC)C=CC=C2Br)C=C3,YPPPPYQHYFHIKW-UHFFFAOYSA-N
-5F2C2909F0F663AA_CCE2F916C196CD3C_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(Br)C=CC=C3)C4CCC4,WEYBEVZXJIENGO-UHFFFAOYSA-N
-5F475E58AB71611E_C11D134412B7FCAB_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(CC3=C[N](C)N=C3)CC4,WGFJUBHFHWYVSC-UHFFFAOYSA-N
-5F933ECB4A2B070C_249BA5F04BEDBF98_6029_UN,CC1CN(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=CC=NC=C3,FNJPFJGLKLLMJN-UHFFFAOYSA-N
-5FB9E8BE396E6627_B0BAE270287AE82C_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC(C)C4=CC=C(C=C4)[S](=O)C,RWIPMRCEARGEBK-UHFFFAOYSA-N
-5FEC80B5A637E733_A431D355457E29DF_6041_UN,C1(=NC=NC(=C1)C2=NC=CC=N2)NCC3([S](N(C)C)(=O)=O)CC3,HTGGPMLVXXKJNV-UHFFFAOYSA-N
-606F97F5B1AC0016_C4C16262BFFEB032_6028_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O)C3=NN=CC=N3,USERELPQAZSSMK-UHFFFAOYSA-N
-61F66827EFF228C2_865BC1A27C911921_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NC3CC([S](C)(=O)=O)CC3,PRKHQENUOWPAFD-UHFFFAOYSA-N
-63AE75639A7B53D6_EB181A30E5705BDF_6006_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)C3=CC=C([Si](C)(C)C)C=C3,CSPFDUBNONLCNQ-UHFFFAOYSA-N
-64D143E801949349_CFD73F6C78B6A165_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3([S](C)(=O)=O)CC3,IDVUCXQVGCHCTP-UHFFFAOYSA-N
-654695D3F330EEE8_84C2CC6E04A11683_6039_UN,CC3=CN1C(=NCC(C1)OCC2=[N](=O)C=CC=N2)C=C3,KMXLDTSGBVFWHH-UHFFFAOYSA-N
-655CDBCC1193DB26_9A98DFBBF2A700AC_7022_DP,C[Si](C)(C)C1=CC=C(C=C1)OC2=CC=CC3=C2CCNC3,INGPWKUFFWIZRK-UHFFFAOYSA-N
-6623AFF5F2F1003B_993750BAB1DAB3DB_6038_DP,CC[C@H](NC([C@@H]2C[C@@H]1C[C@@H]1N2)=O)C(=O)OC3CCCCC3,FEXIRGOWELVMKT-PYJNHQTQSA-N
-687F64B8A8FDB8BB_BF53A5E0BD9762F4_6038_DP,N1CCN(CC1)C2=C(C=C(C=C2)CNC(CCC[Si](C)(C)C)=O)F,WXEZGQRWWKXFQI-UHFFFAOYSA-N
-68BB88342BC00140_BFF7D88FEE008FEB_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC4CSC3=C(C=CC=C3)O4,YFLJDQAVPPUYNB-UHFFFAOYSA-N
-68E736C1576EB5E2_554AFCCC646E28AF_6038_UN,N(CC1=C(C=C(C=C1)C2CC2)F)C(C3=CN=[S](C)(C=C3)=O)=O,IXDUKNSWCGVTGE-UHFFFAOYSA-N
-68FD4ACFD17A5AC4_AD4E23F6A4151F21_6041_UN,OC(=O)C2=N[N]1C=CC=C(C1=N2)NC(C)CCC3=CC4=C(C=C3)OCO4,YLKGDNOURAJUBG-UHFFFAOYSA-N
-69405D9353917A88_18EBFE0A396DE88A_6039_UN,O(C1=CC=CC=CC1=O)CC2=CC=CC(=C2)C(OC)=O,YZETWLIPLVGDSS-UHFFFAOYSA-N
-6BA96D0D6B683B83_6B699D11175AA78F_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(N=[S](C)(=O)C)C=C2)C=C3,UETMYAQUJMSDIX-UHFFFAOYSA-N
-6CE345EB063E4B93_5664D97042B4CD08_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2C)C)CC3)Br,JRJCMAGFOJPWCP-UHFFFAOYSA-N
-6CE7EEF3023332E6_63376F9E4BD3773F_7022_UN,C1(=CN=C(C=C1)N2CCCC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C#C,MPELWUAKLOWILR-UHFFFAOYSA-N
-6E01F92936EEA438_EF15B4233DA4D909_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCC3,WBFYBDOOCPXHNA-UHFFFAOYSA-N
-6EE965A5CFFFF3EC_329A01B237A01AD8_6038_UN,CCCC(NC(C1=C(N(C)C)C=CC=N1)=O)C2=NC(=C[NH]2)C3=CC4=C(C=C3)OCO4,OUCUGFXDSANBLK-UHFFFAOYSA-N
-70930A64430E47DC_45F376EA58A83243_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(CCO)CC4,RDYUMUZWMDXANF-UHFFFAOYSA-N
-70B58F9DB125855C_0D197C42A97BD7AD_6038_UN,O(C1CCC2CCC1C2=O)C(CC34CC(C(OC)=O)(C3)C4)=O,UGQGHDHQALOMTB-UHFFFAOYSA-N
-714333CB527FA568_6B57DF15C923893F_6029_UN,C2COC1=C(C=CC=C1)CN2[S](C3=NC=C(C(C)C)S3)(=O)=O,JHKJKXHAXXXFST-UHFFFAOYSA-N
-714AC7EBC3A30C25_0573056D182D2838_6041_UN,O[S](=O)C1=C(C=CC=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,YYTRAWZQGIHHHT-AWEZNQCLSA-N
-7246218C530EF653_259F305B2A12F717_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NCC(O)CO,NXLJDXIYHVFVIM-UHFFFAOYSA-N
-72D11812D86C87AD_62D397CC65CE9378_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(CC3=CC4=C(C=C3)OCO4)CC5,GJFLSXJUBIKYPU-UHFFFAOYSA-N
-72F884427B197AEF_EED702D1F57FF8DF_7019_UN,C(C3=C1C=CC=CC1=C2C=CC=CC2=N3)=CC4=CC=CC(=C4O)[N](=O)=O,SQBRNTRFTVLDPL-UHFFFAOYSA-N
-758603AC8649527A_793CE2CB2182196D_6034_UN,CC2=C[N]1N=NC=C1C(=O)N2C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,YVSFBGFKRXBBAC-ZFWWWQNUSA-N
-75EACFD1CE07E5E8_E58C78806CF9AFB4_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC(C)C2=CC3=C(C=C2)OCC3,IHKUIHJODOTGHJ-UHFFFAOYSA-N
-76B9486686C481ED_8D6CB6D27075DD76_6038_UN,C[N]1C=CN=C1CN2C[C@@H](F)C[C@H]2CNC(C3=CC(=N[NH]3)C4=C([N](N=C4C)C)C)=O,SUZDBKWJTQFCMW-GJZGRUSLSA-N
-771726F7A5D581E2_E515E188A086BA1D_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CN([S](C)(=O)=O)CC3,REHRGWUEBKAETR-UHFFFAOYSA-N
-77348A4B301FC002_171AAC881EC659EB_6029_UN,N(C2=C1N=CC=NC1=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,LXWMPTWWVQKHIG-UHFFFAOYSA-N
-7794C6C82EBDAE8D_9BDFDE276EC88063_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCCC3C4=C(C)C=CC=C4C,QUTFOKRSVLEMQR-UHFFFAOYSA-N
-78D03F65513CF5E7_0CA7D02318D5F461_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3CC[C@@H](C)N3,ALBXXROIMPJENE-MWLCHTKSSA-N
-7BF35BB0228FCA5C_E4D3DA7ECF38BAC1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)CBr)N2CCOCCC2C3=CC=C(F)C=C3,FGRKFHDZASDJOO-UHFFFAOYSA-N
-7CB0B611CB0303BF_6D00B5346C14176F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)(=O)=O)CCCC4,YFLDVBUCEQDPJQ-UHFFFAOYSA-N
-7CEA67D5DE1E3FDD_F420E3806D62B08E_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)(=O)=O)CC3)F,KWUOAVAGMMXWHI-UHFFFAOYSA-N
-7CF055A659E11363_EA04AE63FFD3C30B_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(CO)C=C3)(=O)=O,XPCVSXBUGJFSJX-UHFFFAOYSA-N
-7DAD69ED84BC2D0F_1DF346E9953F5DBE_6041_UN,OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)NC3=CCOC3=O,WTDOGCMEPZSUJV-UHFFFAOYSA-N
-7DC6D3A8BF431E34_A313F99870BB5D20_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=NC=CC(=C3)C)(=O)=O,HWQMEJYKYQKEJE-UHFFFAOYSA-N
-7DE705161FF538A2_CC06C3F53C22C27F_6038_UN,CCCC(NC(CCCCOC1=C(C=CC(=C1)C)C)=O)C2=NN=N[NH]2,AENQDXLDQCTKHQ-UHFFFAOYSA-N
-7F74EA7FD3922869_44E35E6459CED256_6028_UN,C1C=C(CN1[S](C2=CC=C(OC)C=C2)(=O)=O)C3=CC=CC=C3,UMUHUYZGWUMOKH-UHFFFAOYSA-N
-7F918314AD7C6FBE_EB55B9F57704822B_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(CC3)C4=C5C(=CC=C4)SC=C5,HVXUOXBXSGOBLO-UHFFFAOYSA-N
-7FCC45EF7AFF7AE4_5417C8F31646EE3E_6009_UN,C1(=CCNCC1)C(C)(CCNCC2=CC=C(C=C2)Cl)C,IDRHIESCPQBKEX-UHFFFAOYSA-N
-80399BFD1D214885_BE9538A5D8D8EB44_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCN3CCN([S](C)(=O)=O)CC3,LBDHHNWBWSWDPQ-UHFFFAOYSA-N
-8165A44A07BC3E91_26B3997DD873B8CA_6038_UN,COC(=O)[C@@H]1C([C@@H](C1)NC(C2CCC(C)CC2)=O)(C)C,DSPAMJLQRHTVMH-FIYWTHMPSA-N
-82B5C1E58574BCD0_035B3829B486184E_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C)C=CC=C3Cl)(=O)=O,GACXDIGGTPWFNC-UHFFFAOYSA-N
-82EA5542B240BCD9_1F796D8F3D5C5FBF_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(N(C)C)C=C(C=C3)Br,VDMVDYIFDKWWQO-UHFFFAOYSA-N
-8342D1C60C67FCE6_519923CEAB4A4A7F_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCCN(CC3=CC=CC=C3)CC4,GXCUILRWGMJGJD-UHFFFAOYSA-N
-835A4BEB4E87DE41_4F37D036CAACE987_6036_UN,CC(C1=C(C=CC=C1F)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,WILDTDJHVALOGT-UHFFFAOYSA-N
-84669DCEB0AEA82C_F2E2E7AFD0B6F551_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(C=C(OC)C=C3)F,ZRJKAQCAIWVTCD-UHFFFAOYSA-N
-850EA4B264DFC1EA_62CE0D07B25AAC12_6029_UN,C1C(CN1[S](C2=C(C(C)CO)C=CN=C2)(=O)=O)[N]3N=NC=C3,LXBQFYJSCMDKCM-UHFFFAOYSA-N
-852071E77F7D0911_EFFDA66F2A3F64D7_6036_UN,C(C1=CC=NS1)(C2=CC=C(C=C2)Br)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,FWHCPOSRQSULRT-UHFFFAOYSA-N
-85A9B610469790C9_22D442BAD8DDD353_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(CN(C)C)(F)F,IRRQUWFQOCEHPI-UHFFFAOYSA-N
-86DE01E0CCC90A4D_D5AABC2DC81BA761_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,POSFBEDNHJTROS-UHFFFAOYSA-N
-872FB756289DB4BF_1A0CA06F8FB990E1_6038_DP,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C([C@@H]4C[C@H](CN4)N=[N]#N)=O,VLFRJHLYNKXAEF-KGLIPLIRSA-N
-87CDD98081FC2390_BDA40E31F3143E2A_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(OC)C=C(C=C2)Cl)C=C3,PMZXIGLFOQHECG-UHFFFAOYSA-N
-88A02B54EAD41CF9_AC4867976A629C44_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CCC(CC3)N4CCCCC4,IAGNQGRCVQJXAL-UHFFFAOYSA-N
-88F85861B94F1FB2_7E6C7D64827BFE79_6026_UN,FC1(F)CC1[N]2C=CC(=N2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,RCUWZVKJXXVUQU-UHFFFAOYSA-N
-8937157B788F229F_68BD0EC6CBB9F0D6_6038_UN,CCC1=N[N](C)C(=C1NC(C23CCC(OC)(CC2)CC3)=O)C(=O)N,NLTOFVLAOLUWSZ-UHFFFAOYSA-N
-895F0DAE5C18246F_5579900FA1C17F98_6029_UN,C1=N[N](C=C1C2=NC=NC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,PYULVXFRTGZNAI-UHFFFAOYSA-N
-8999386738E79841_9117022275A42B50_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC3=CC2=N[N](C)C=C2C=C3)C4CC4,GVGCZJHFODMTTR-UHFFFAOYSA-N
-8A1AB400C718CC0A_2633B2E990175925_6041_UN,C2(=C1N=C[N](C1=CC=N2)CC3=CC=CC=C3)NCC4([S](C)(=O)=O)CC4,SNPWBVFYOMQJAV-UHFFFAOYSA-N
-8B4954EB264274F3_C81D0EF4A73C3CD2_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,FPFRNYUFLWGMCV-UHFFFAOYSA-N
-8B7ED59272AB84BD_A710AD69E0BE5C07_6038_DP,COC(=O)C[C@@H]3C[C@H](NC([C@H]1[C@@H](CNC1)C2CC2)=O)C3(C)C,ZVGPTTMCIUITOY-FQUUOJAGSA-N
-8BCD35B09DFCA618_70E4D05C8A033129_6026_UN,CC1=CC=C(O1)[S](=O)(=O)NCC2=CC(=NC=C2)N3CCN(C)CC3,IJISVJYHXHZYSV-UHFFFAOYSA-N
-8BFB3D396B907E7D_CA32A9E078EB8852_6041_UN,C1(=CN=C(C=C1)C2=NN=N[NH]2)N[C@H]3[C@@H]5C[C@H]([C@@H]3C4=CC=CC=C4)[C@H]([C@H]5O)O,XCGPGHVTQSTJMF-JUFFKVHCSA-N
-8C161FB53DA75BDA_74840E1BF9E0092F_6029_UN,N#CC1=C(C2=C(N=C1)C=CC=C2)N3CCN(CC3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,QAPZCQJPUDLEGQ-UHFFFAOYSA-N
-8CE83DF489330580_6B4E2C40EC92A1D5_6038_UN,N(CC1=CC(=C(C=C1)C2CC2)F)C(C3=CN=[S](C)(C=C3)=O)=O,AETIJFLAURVDDT-UHFFFAOYSA-N
-8D8CCC5DD8385C37_79E18A95084A8020_6034_UN,BrC1=CN=C(N(C1=O)C[C@H](N)C2=CC=CC=C2)C3CC3,CXUBWIDKDJBMPJ-ZDUSSCGKSA-N
-8E8A317B77A578DF_E530E7060D908A0E_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,JQSJBNSHLJUGQG-UHFFFAOYSA-N
-8E8D8A7677C90287_306280CA80AE7440_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC(C)(C)O,FCMXMBKOYURNHM-UHFFFAOYSA-N
-8F470E399101DDFC_D7ECEB32CD89B985_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,FUIRYOBWKPLPRT-UHFFFAOYSA-N
-909CBDE663859026_84D821CFF5255AD3_6041_UN,CC[N]1C=NC2=C1C=CN=C2NCC3([S](C)(=O)=O)CCC3,IZCGIBNNGNXBBO-UHFFFAOYSA-N
-9118F051C0947540_79811B1E4506832E_6041_UN,C[N]1C=NC2=C1C=NC(=N2)N[C@@H]([C@H](CC)C)C(=O)OC,VOUPGOVOHLIDFP-WPRPVWTQSA-N
-917FEE04D6ED752A_9880519D9ADE324E_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2N[C@H]([C@@H](OC)C)C,JIJPCAXBVZXHCB-YUMQZZPRSA-N
-91D6A12DE0F0ACBA_1722DB4DE83B53BA_6029_UN,N(C1(CC1)CC2=CC=C(C=C2)Cl)[S](C3=C(CSC)C=CC=C3)(=O)=O,DPPNKMSTQFRFJA-UHFFFAOYSA-N
-92AD1B09AF32049E_67303DA37E28806E_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NCC2=CSC(=N2)C(OC)C)F,QEGNWEWYJQKRRI-UHFFFAOYSA-N
-92FD8A319E925713_791FC1F7C9B7E07F_6038_UN,S(C1=C(N=CC=C1)C#N)C([C@H]2C[C@H]2C3=NC(=NO3)COC)=O,AJSDFWVGTMJTAM-BDAKNGLRSA-N
-931D012C330E0FF0_D7B126733E9DF6DD_6029_DP,C1CN(CCN1[S](C3=CC2=C(C(=C[NH]2)C(F)F)C=C3)(=O)=O)C4=NC=CC=N4,KSPMSJXAOIBRBE-UHFFFAOYSA-N
-9321443BD81B8811_7D1B09C749A719A9_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=C3N=CC=NC3=CC=N4)(=O)=O,XFLWEDCTWMIWSX-XFHMXUHZSA-N
-9388FACB297D4F56_2B0B4CE1DCEE8BC9_6038_DP,CCC[C@H](NC(CC1CNC2CCCCC12)=O)C(=O)OC,FYLWZQPITQQCBM-XOZUOACSSA-N
-9416C845B315683D_E3D67470F91708AD_6041_UN,O[S](=O)C1=NC(=CC=C1)NC2=C(C=CC(=C2)C3=NC4=C([N]3C(C)C)C=C(C=C4)F)C,BEEHLSFSLIVUCF-UHFFFAOYSA-N
-94C438B6FAFF5B11_02B5C8FA6E51689A_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3,YNNIMUQCNQKEOP-SZVBFZGTSA-N
-94E7F67C6B1A9092_13CE44DEC71D8E2C_6034_UN,CC(C)N1N=C(C)N(C1=O)CC2=CC=C(CC(C)C)C=C2,ZPESVWYKDGWUGB-UHFFFAOYSA-N
-9639C20F5A083B0B_3CFD35A8D7193B09_6038_UN,COC(=O)[C@@H](NC(CN(CCOC)C)=O)CC1=C[NH]C=N1,VVFUGKJYFRFFJE-NSHDSACASA-N
-964AFCD31069AEC0_321E39475B10742D_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2NC([C@H]3[C@H](C(OC)=O)C3)C,IWBAKNAEBFUOGB-CBMCFHRWSA-N
-980CDCB910904B55_9354844A7497BD8A_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CCN([S](C)(=O)=O)CC3,ZJWOFUQTTSZOOO-UHFFFAOYSA-N
-98C4004B131B9755_528D501DBB5B42AE_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)N2CCNCC2)C(C3=CC=C(C)C=C3)C4,JDEIRDLOWOZLNA-UHFFFAOYSA-N
-9972266039D74A77_394229DC74A597E8_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3([S](C)(=O)=O)CCC3,GKBNHGMEZPCJKY-UHFFFAOYSA-N
-9B8C1E7D5E583BD8_699F4C206DB6A35D_6029_UN,N(C1=C(N=CC=C1)[N]2C=NC=N2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,HQBNWFMKSHOELP-UHFFFAOYSA-N
-9BBA1F147C31B754_BAFCE93324E82B9A_6041_UN,C1(=C(C=CC=N1)[S](=O)(=O)N2CCCCC2)NC3=CC=C(C=C3)OC4=C(N=CC=N4)C#N,SYDONYSCNQYNOY-UHFFFAOYSA-N
-9BC400DB6BF3D8A2_DB2B654A59528CE6_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)C[C@@H](C(OC)=O)N,KGYIBXOFORXWAN-QMMMGPOBSA-N
-9BE46D61B3E9B416_53CC87E5CCD47078_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C5=C4C=CSC4=NC=N5,NQKWQEKVEPIQNM-UHFFFAOYSA-N
-9D1198A515EF1F10_A485C89B3B6B6D45_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,CDIIJBXVIMIDHD-UHFFFAOYSA-N
-9EE484366820409B_F99701DB4D03C8C0_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CCC([S](C)=O)C3,YWVSXDCJRSLDGJ-UHFFFAOYSA-N
-9EF2FCBE2FC671CF_ADBD2263DD2BB1AE_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OCC4[C@@H]3C[C@@H](C3(C)C)CC4,JAKARLHGCXRDFJ-YVZMLIKISA-N
-9F3503E3F3FA1B80_18084BEDBC70F78B_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3CCOC3C4=CC=CC=C4,WIRCVTBNHXKDOJ-UHFFFAOYSA-N
-9F6BE3608895DE3B_CDA23132847A7621_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(CN(C)C)=O,OXUQTYNAEOUSAQ-UHFFFAOYSA-N
-9FC3DF358DDE8F1A_60947B2CC57BC147_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,IEYRHOCHMQLILX-UHFFFAOYSA-N
-A04D8D9B657E6CB6_C7586FF77D7BDFE9_6038_UN,CCC(NC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)C2=NN=N[NH]2,TVVRPEIQPUGIOT-UHFFFAOYSA-N
-A0712ACA2BDD1D9A_A5F9E55CD08CB140_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,ORCVBIJDLGUWSU-UHFFFAOYSA-N
-A1293285ECEDA405_D393E3EA9FA67ED5_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2N[C@@H]3[C@H](C(OC)=O)CC=CC3,FALAXHAHLUOAML-MNOVXSKESA-N
-A15F9FCA2B90E474_91104E320DDC270C_6028_UN,C1C=C(CN1[S](C2=CC=C(COC)C=C2)(=O)=O)C3=CC=CC=C3,BWHSZEAFIKFTBN-UHFFFAOYSA-N
-A168E845E8339B70_06E39709ABEFC0F7_6029_UN,C1CN(CCN1[S](C2=C(C=C(O)C=C2)C(F)F)(=O)=O)C3=NC=CC=N3,WCTWXDNQWLGWCD-UHFFFAOYSA-N
-A17609B82646E10B_923C13FDDAB3660A_6038_UN,CCOC(=O)[C@@H](NC(CN(CCOC)C)=O)CC1=C[NH]C=N1,WFDITYWGLOZOLV-LBPRGKRZSA-N
-A473CF952109DC8F_E564EBAC98CC96AE_6031_DP,OC(=O)[C@@H]1CC[C@@H](CN1)C(=O)OCC23CC(COC)(C2)CO3,BLYWHQOVWHAAIG-WZWWUGBPSA-N
-A4D84FB51FD18B26_332194096F8DF22F_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)C(C4=CC=CC=C4)([P](=O)(O)O)[P](=O)(O)O,NMXDPIYMGCVXPQ-UHFFFAOYSA-N
-A500B6E5F092AA87_A3C8040C7FDC5223_6038_UN,COC(=O)[C@H]1[C@]2(C1)C[C@H](C2)NC(C34CC(C(OC)=O)(C3)C4)=O,GJMUCEQQGRWIFN-WONWJIAQSA-N
-A5102FD756EFAEEF_A35A68E42EF888C0_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C3=C(C)C=C(C=C3)F,MOQSUCOCVPZETC-UHFFFAOYSA-N
-A522020D54D1BBE5_4B8AEF2575B033D5_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=CN=[S](C)(C=C3)=O)=O,LFDYNXRBPLSPQD-UHFFFAOYSA-N
-A6FC96CE522A85B0_4A73D48055291B37_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,OMWUHJXMVPHXTC-UHFFFAOYSA-N
-A92F248434B60518_9700364A9C2D7F9F_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3CC3)NCC4([S](C)(=O)=O)CC4,UQEYPLBCXNNJMR-UHFFFAOYSA-N
-A9611D966F9CEE51_B013C44361B094AF_6038_UN,N(C1=C(N=CN=C1)[N]2C=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,GXBNLZQJHMLUHL-UHFFFAOYSA-N
-A993CB4BEE22F33B_73F65950FB8DAB83_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3CCC[C@@H](C)N3,WSNTURKOWITENS-ZYHUDNBSSA-N
-AAC12A7F1BAA78B5_5A18D11B5F923D1E_6004_UN,O=[N](=O)C2=C1C=CC=CC1=C(N=C2)C4=C3OC=CC3=CC=C4F,WIIRDTMCKIRRMH-UHFFFAOYSA-N
-AAF00EF10BD464C4_E2310A3676A02447_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,JQBRLVSCTSXITO-UHFFFAOYSA-N
-ABD7DFCADDDF41A0_1E55578E63F09F08_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)C,XTYZMLCNTLLNID-UHFFFAOYSA-N
-AC185550A9465FD3_0382FE250710D017_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3)F,WFEWDXJBUIRUOD-ZDUSSCGKSA-N
-AC64B3B1B31ED0EC_6C52A77E601D9DE4_6038_UN,CN(C)C1=NC(=CC=N1)N2C[C@@H](F)C[C@H]2CNC(C4=CN=C3[N](N=CC3=C4OC)C)=O,KYTZDWOHXMABRN-STQMWFEESA-N
-AC9EAAB1F2703866_74B80591FFB5847E_6038_UN,O(C1=CC=CC=CC1=O)C(CC2=CC=CC(=C2)OC)=O,KVUHODRNVLOLTI-UHFFFAOYSA-N
-ACE046F8AD709B51_F5D2C97B1F9CBEF0_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3=C2N=C([NH]C2=NC=C3)C4CCOCC4,JCRJRSRUTMFKIS-UHFFFAOYSA-N
-AD827D9A1A2E933D_7F1A2483C12878E1_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,HPXDBBHGBMFSBY-FVRDMJKUSA-N
-AE023CA3E4B74BFE_F97466B7B757E350_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCC(C2=CC=CC(=C2)C)CC3)C,RFQZIGLOBMRZFH-UHFFFAOYSA-N
-AE1906C472CD82D7_A7CC7B7D20B7CB9F_6029_UN,N(C1=CC(=NC=C1)C#N)[S](C2=CC3=C(N=C2)OCO3)(=O)=O,BHWQHYSLQNAWFG-UHFFFAOYSA-N
-AE65042F07731E68_7BBF18395DC91CC2_6039_UN,COC(=O)C23CC(COCC1=NN=C(OC)S1)(C2)CO3,LHXPQPCTAULDSS-UHFFFAOYSA-N
-AE92436707BD70F3_5C0E8BDC4E705C49_6038_UN,CC(NC(CCC[Si](C)(C)C)=O)C1(CC1)[N]2C=CC=N2,TXDOGLVGRVHSJP-UHFFFAOYSA-N
-AEE15D962468C04C_E9F822EDBCC7A3BB_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,DPWSXVDLGNPNFA-CQSZACIVSA-N
-AF8E0E7EB7068F63_610C0E05B46C2C15_6038_UN,CCCC(NC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)C2=NN=N[NH]2,DLHVWYONVKVKCU-UHFFFAOYSA-N
-AF9D44D53D88BBD0_28F4C4CE0259ECA1_6038_UN,CN4C[C@@H]3C[C@@H](OC(C2=CC1=C(C=C(OC)C=C1OC)N=N2)=O)CN3C4=O,CEZUFZAYYZMGOF-CMPLNLGQSA-N
-AFD1B5E4AF019D45_41EA788357D76B8E_6009_UN,C1(=CCCNC1)C(C)(CCNCC2=CC=C(C=C2)Cl)C,NKFJEDSUGPBDEG-UHFFFAOYSA-N
-B066A04CAFEF2D29_D8FE9AF51503E8D1_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)N[CH]2CC[C](CC2)=[C](F)F,UVDQOUAHINXGSL-UHFFFAOYSA-N
-B1AD905A836FCFA9_59B962565DEC3D7D_7022_DP,CC(C)CC1=CC(=C(C=C1)NC2=C([N](N=C2C)C)C3CNC3)F,FGQQQDOTQZNRPZ-UHFFFAOYSA-N
-B263DBFEEB5BEE60_E596A84F1AED04A2_7019_UN,C(C1NCCC1)=CC3=CC=C(C2=CC(=CC(=C2)C)C)C=C3,MLGNTPGJWOLQBG-UHFFFAOYSA-N
-B2AECE928C78E2D4_02812B2B38BD78B7_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC[Si](C)(C)C)C3=CCNCC3,FMHPQVCHSAEGFR-UHFFFAOYSA-N
-B347844E94927DEF_A04C94D917EF6845_6034_UN,O=C1N(C=NC2=C1C=N[N]2C3CC3)C[C@H](N)C4=CC=CC=C4,YMSGJDDZEDSAJK-AWEZNQCLSA-N
-B397AE3B1E623D8F_B8619AB6D4DDE0C9_6041_UN,O=[N](=O)C1=CC4=C(C(=C1)N[C@H]2CN(C[C@H]2OC)C3=NC(=NC=C3)N(C)C)[NH]N=C4,FEEOOGSJERTUMU-LSDHHAIUSA-N
-B39B75F55386F552_2B543018C6B4987E_6038_DP,N(C1=CC(=CC=C1)OC2=NC=CC=C2)C(C3=CC=CC(=C3)O)=O,QZXJRSVNEZZRAE-UHFFFAOYSA-N
-B4D5875DC775FE9D_9C8A800213861E17_6038_DP,N2[C@H]1C[C@H]1C[C@H]2CNC(C45CC3(CC(CC(C)(C3)C4)(C)C5)F)=O,FIZZDPLJFCTOMK-UYIHQBLFSA-N
-B5E3E147D856CD24_836654A9EF076188_6038_UN,COC(=O)[C@@H]1C([C@@H](C1)NC(=O)C(=O)C2CCCC2)(C)C,FDZJILUJGQULJZ-GHMZBOCLSA-N
-B6485809E979DC91_43AF109DC8AF4C3E_7022_DP,CC(C)C1=CC(=C(C=C1)NC2=C([N](N=C2C)C)C3CNC3)F,HBZWFGUKVYGMJK-UHFFFAOYSA-N
-B6A621FCFE6BF294_73D356535DD48E20_6031_UN,O(C(=O)C23CC1CC(F)(CC(F)(C1)C2)C3)CC4=NC(=C(C=C4C)C)OC,XHHYPSNKVQRSQW-UHFFFAOYSA-N
-B6C800A7726B8659_EC154F0AA797C5DB_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3NC(OC3)(C)C,ADSDYZKMGQORIL-JTQLQIEISA-N
-B71CBCABBD17A381_2AA6FCBD8B8E7EEB_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NCC2=CC(=NC=C2)OCC3CC3,BPBDBVZLFOWYDP-UHFFFAOYSA-N
-B90393D80792B86B_02811A056C9E0D36_6034_UN,CC2=NC1=C(C=CN=C1)C(=O)N2CC3ON=C(C(C)(C)C)C3,JVNXWIBJGKMAOA-UHFFFAOYSA-N
-B9674745990F1EE7_A1F8DFD0BD816103_6038_UN,COCC(NC(CCOC1=C(C)C=CC=C1C)=O)C2=NN=N[NH]2,VYFSKOHDSVGJIE-UHFFFAOYSA-N
-B9FCC6A25C2C4D98_F1B0D73E747A5A01_6036_UN,CC1=CC(=CS1)CN([S](=O)(=O)C2=CC=CC=C2)CCC3=CC=CC=C3,LPSPQQKPBSHRAF-UHFFFAOYSA-N
-BB0224CC8662E749_1619BEAB0BB45AFE_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CC3,PARHDSUOGRZKPW-UHFFFAOYSA-N
-BC2F7B73F3E51DBA_632ADB092A1A25D9_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC(C)(C)C,FYIAWOGIPNRNFR-UHFFFAOYSA-N
-BD705075528F9B4D_23295C6C27BF4114_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,RMOUYVAJXDPKPV-UHFFFAOYSA-N
-BDC045213E19999E_8E46EDCB49EE001A_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C([C@H](OC)C3=CC=CC=C3)=O,AEAAHLUSFBUBTM-QGZVFWFLSA-N
-BF6C3A161C0EDF05_4541A3007B5EB020_6038_DP,COC(=O)[C@@H]1CC[C@H](CC1)NC(C23CC(C(O)=O)(C2)C3)=O,BPGLOIUJHPQJIH-OHLBVDJCSA-N
-C0B49C95C4DA92AE_D3AAFB68E6DC49A0_6038_UN,O(C1=CC=CC=CC1=O)C([C@@H]2C[C@H]2C3=C(OC)C=CC=C3)=O,KBYLWZRKNWPQIX-UONOGXRCSA-N
-C0D327E934AAAD25_956CF3E9AEC62CA3_6038_UN,COCC(NC(CCOC1=C(C=C(C)C=C1)C)=O)C2=NN=N[NH]2,LUEBCXSVSLXKAN-UHFFFAOYSA-N
-C351BE988311C4D4_DFCB7EAB972FEB9B_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Cl)CC4,MKASTOXKDUTHFL-UHFFFAOYSA-N
-C54847C8FB1D0538_8E2C180B39BC6018_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(OC)C=CC=C3O,ASJCXYKVEZXUNW-UHFFFAOYSA-N
-C5653388D9FA490A_EE0C5A29F9063D11_6038_UN,C[C@@H](NC(C23CC1CC(CC(C1OC)C2)C3)=O)C(=O)NO,HSXHOTALNVJJID-QZAUQXMQSA-N
-C7D0E8EA87F7E7A2_710B278E3BDA7902_6029_UN,N([C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=N3)C)(=O)=O,DIBWKXRDHYPFTC-KGLIPLIRSA-N
-C841F54D77143D55_3FE4ECE2C8E21BF3_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCC4(C[S](C)(=O)=O)CC4,JORLKYMEEODLLV-UHFFFAOYSA-N
-C8DE3427EAD174EA_947C45B4DD9E7458_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O,ZLQGELXKRUUTER-UHFFFAOYSA-N
-C9BC3C7414FA3388_407B0BA19F0156F5_6038_UN,C[C@H]1[C@H](CCCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,MSCYEYXNUQSZDB-XQOMNBSISA-N
-C9ED5F17E9F5FD57_327C87B63F51B6F9_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC(C)C4=CC=C(C=C4)N5[S](CCC5)(=O)=O,NIFNQQZHUUWJRW-UHFFFAOYSA-N
-C9F7CE88802A8FAD_6991D370F6AE6A6B_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=NC=CC=N3,RUBVYMZYXQPCPX-LBPRGKRZSA-N
-CA9E1C94F71CFC99_1FB7AF11E5A91EE5_6038_DP,OC(=O)[C@@H]1CCC[C@@H]1NC(C23CC(C(OC)=O)(C2)C3)=O,JBSUGTRUKBYKKM-CYGFXYRSSA-N
-CBBD5F51DE549D9D_1A55135EE515085A_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCC3,BSLHGZRJUCYZSI-UHFFFAOYSA-N
-CCDBF79115D49387_FB07766BC3B9B778_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C[Si](C)(C)C)=O,YQUYBFRVFZLLBX-UHFFFAOYSA-N
-CD398625EAC9906D_4961D9A3DDB9EB0C_6041_UN,CC[N]1C=NC2=C1C=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,IWUODRSMCRDIJA-UHFFFAOYSA-N
-CD9C2BFC9313F8A9_DC13E7A04CC06B4E_6034_DP,CC(C)NC2=C1N=C[N](C1=NC=N2)CC(C(OC)=O)(C)N,MHAAXTRFVGFBMO-UHFFFAOYSA-N
-CDD0F0E4C728BB85_72A867AFAE5DD01D_6038_UN,COCC(NC(CCOC1=CC(=CC(=C1)C)C)=O)C2=NN=N[NH]2,XACIUTFOTUFKKX-UHFFFAOYSA-N
-CDD36B33314D012F_A20D17F542A2EC60_6028_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=NN=C([N]3C)C(C)(C)C)(=O)=O,MLHUEFBXRXGIRZ-UHFFFAOYSA-N
-CE7E1036D47ED11F_1EE4E687468A2590_6038_DP,CCC[C@H](NC(C1CNC(CC1)C2CCC2)=O)C(=O)OC,XSRRDCZQZLHPKQ-RUXDESIVSA-N
-CF08FC3FE1A27A5E_D6CB0ED9213B7C61_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC(C)C3=CC(=C(C=C3)N4CCN(C)CC4)F,VNBIUVDFUZNTOK-UHFFFAOYSA-N
-CF34D719FD5F8BFE_FEF037A3658ADDF4_6036_UN,CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N3[S](=O)(=O)C=CC3,PFMGAKFVDVTDOL-UHFFFAOYSA-N
-D1E0B94A4EA42C73_9FA8E901A2E63FF9_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)F,ZZVCZIQGONZHDL-UHFFFAOYSA-N
-D418D596E7FC9ADE_8522CC227BBD559C_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN(C2=O)CC4=CC3=C(C=CN=C3)O4,PQLJZUSOINGIPT-UHFFFAOYSA-N
-D4370BC4913DF1B6_C086016610F2615C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](CC)(=O)=O)CC4,RDYPDBYFYBVCHZ-UHFFFAOYSA-N
-D49903D22039559E_A6D438EC6B0035B5_6031_DP,COC1(CC(C1)N)C(=O)OCC23CCC(C2(C)C)CC3,BPJOJUGTPHZXMD-UHFFFAOYSA-N
-D5309C881408F241_7C35026BCC0B50BF_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CN=[S](C)(C=C3)=O)=O,YFPMEOVTIUISFG-UHFFFAOYSA-N
-D6E1A5E8C8C0C492_E5471B50D4DCDDC2_6029_UN,N(C1=CC(=CC=C1)CCl)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,IEOPTGDXIIDZMB-UHFFFAOYSA-N
-D77618234002F175_C7BF0C6917811610_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NC[C@H](C(OC)=O)C,WWZUQXWLOWGRDD-LLVKDONJSA-N
-D9BD63A67ECFBC4A_D0234856EA81F330_6035_UN,C[C@@]2(OC1=CC(=C(OC)C=C1)F)C[C@H]2C3=CC=CC=C3,SVUDNYNZKHHJGT-WMLDXEAASA-N
-DB7F033C11C343A3_F759A0CA44227369_6041_UN,COC(=O)C1=NC(=N[NH]1)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,USMRWLTVQWPLGC-DAYISOEXSA-N
-DB94426EEA0E1B9D_6A52A207F5353183_6038_UN,CCC(NC(CCCCOC1=C(C=CC(=C1)C)C)=O)C2=NN=N[NH]2,PEFJCVUDXGVOHR-UHFFFAOYSA-N
-DD761B61AC0081B9_7408BB06DEC2D5BF_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC4CC3=C(C=CC=C3)C4,OAVHCAYMTLBWAR-UHFFFAOYSA-N
-DD935ACA256B1002_7F193F9DC6F96187_6041_UN,CC2=C1N=CN=C(C1=CC=C2)N[C@H]3C[C@@H](C[S](C)(=O)=O)C3,OHXVJVRKGIFPDL-TXEJJXNPSA-N
-DDB7713889007DE1_7B6FB23DE1441F51_6038_DP,CC[C@H](NC(C2C[C@H]1CNC[C@H]1C2)=O)C(=O)OC3CCCCC3,NSIYXMGZDUFZPL-HUORLRHWSA-N
-DDE69CA8FFB925F1_5DD205CF82C2C1F5_6038_UN,COC(=O)[C@H]1[C@]2(C1)C[C@H](C2)NC(C34CC(CC)(C3)C4)=O,KLEKVEVEVZQDRU-URFKDFJRSA-N
-DE4895C15D9C3A56_2FF53E99853E2988_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,UTRIZSOJAAAENN-UHFFFAOYSA-N
-E0295A0DC665A2FC_1835174F504C53DA_6035_UN,CC1=NN=C(O1)[C@H]5C[C@@H](OC2=C4C(=NC(=N2)C3CC3)CNC4)CN5,JGJFILSDCSCROM-ZYHUDNBSSA-N
-E02AA5426A5630A4_32A3D3FF29251DA9_6029_UN,C[C@H](O)C1=N[N](C=C1)[S](C3=CC2=NC(=C[N]2C=C3)C4CC4)(=O)=O,NJRDITIJUZVQOC-JTQLQIEISA-N
-E02FE359CD2BC8F2_E6CB603138796544_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=C(C=CC(=C2)C3=NN=N[NH]3)F,BALKJRGBNFRKTJ-UHFFFAOYSA-N
-E180EFFD3DF6CE32_EDF41BA8BE124B98_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC(CC3=C[N](=CC=C3)=O)C(=O)O,IYLQPZGCOBOVPM-UHFFFAOYSA-N
-E1E8AEABE5759C27_C1333E7262FA6D1B_6038_UN,NC1=N[NH]C2=C1C=C(C=C2)NC(C4=C[N]([C@@H]3COC[C@H]3OC)N=N4)=O,YORGSMXPICRURQ-CHWSQXEVSA-N
-E2CB563E9E42A58C_DD8EBD9EF1BBA05B_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2N[C@H]3C[C@H](C(OC)=O)CC=C3,GJBFXAXRCWZTNP-CHWSQXEVSA-N
-E390F4F987021A78_38A699D5EF49655C_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)NC(C)C2=CC=C(C=C2)N3CCN(C)CC3,UNSXWLUIZFMSFJ-UHFFFAOYSA-N
-E3E30A9FBD31B66C_1CDECC2597ABCCD2_6031_UN,O(C(=O)[C@@H]1C[C@H]1C2CCNCC2)CC(C(OC)=O)(C)C,QVNHBMJGBUOIBR-NWDGAFQWSA-N
-E3F63B97664442F7_17EF5C7F56D60861_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,SDDZGBZOMYHALS-IBGZPJMESA-N
-E4444FBB2595BFF7_EB5F83EFA4C8FFAF_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=C3N=CC=CC3=CC=N4)(=O)=O,CPWABIRQOWLXIO-RHNCMZPLSA-N
-E69F1B5C13D38D39_9855CA4087A80288_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=C(CO)C=C3)(=O)=O,AXUJLAHVPRYDSM-UHFFFAOYSA-N
-E6A8C2345B4F22BD_F4F61620C754B086_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,BPXBJCBKIAZJJI-UHFFFAOYSA-N
-E6D715CC0CD111C1_53DC6ABD76C9A95C_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CC(N)CC4,YSIIYKLSOPEFFQ-UHFFFAOYSA-N
-E6F31932BFD39243_14B25AA9941AB8C2_6038_UN,N(C1=CC(=C(C=C1)Br)I)C(C2=N[NH]C(=C2)CCCCC)=O,VRYCEOXVTPRXQP-UHFFFAOYSA-N
-E7F99122F8E54D75_33AD34ACB2841EA8_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,GTJUTFHFBPRWPQ-UHFFFAOYSA-N
-E888E323B90D009A_FCA8B892E5A92167_7019_UN,COC1=CC=C(C=C1)C(C)C=CC2=C(N=N[N]2C)C3=CC=CC=C3,IDASRWBZAJMUGF-UHFFFAOYSA-N
-E8FFAABCFE06CA30_0BC61076DA9C8397_6038_DP,CC[C@H](NC(C1=CCNC1)=O)C(=O)OC2CCCCC2,VSJUYRNJIXPFTR-ZDUSSCGKSA-N
-E9ED02E041477F51_C1B11B7BD41C758D_6029_UN,N(C(CO)C(O)C1=NC=CC=C1)[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O,SOHKXXGKHXLTHH-UHFFFAOYSA-N
-EAA6A7C8BB00D693_14B62B7E523C2CD1_6038_UN,COCC(NC(=O)C2=NC=C1OCCOC1=C2)CC#C,NOHJSSDPXILSLE-UHFFFAOYSA-N
-EB1C964BA7A9196A_800C4EE9C35BD328_6034_UN,O=C1N(C(=O)[C@@H]2CNC[C@H]12)CC34CC(COC)(C3)CO4,FKVFRGPMNGOPGC-XYAOECAESA-N
-EB36ABC5055B85DE_5CF136AA05B31D7B_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,ZQMJQUBTWHQXKO-CQSZACIVSA-N
-EC00ED096135DBA0_85E8DC5B35E1C519_6041_UN,C2(=N[N]1C(=CN=C1C=C2)C3=CC=C(C=C3)C#N)N[C@@H]4C[P](C[C@H]4O[Si](C)(C)C)(=O)C,XVBQUPSCCMPHNL-FVKCDLOJSA-N
-EC1759EA7FE3648B_8A8B3C6149B322D8_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=C(C(C)C)[N]2C)(=O)=O,SLHMHNYBSCNYGY-UHFFFAOYSA-N
-EC2AC4119DB1F0A1_29FAADF1EA4202DA_6041_UN,C1(=CC2=C(C=C1)OC(=N2)C#N)NC3=C(C=C(C=C3)F)S,PAIBUODQPUBUOE-UHFFFAOYSA-N
-ED979D745B66C7B0_8086DF7854099FD4_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,ZLVJVZXTMFUBPY-UHFFFAOYSA-N
-EE2F587D965D569F_9F5D240E1DAE1778_6034_UN,CC1(CC(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CC3)C4=CC=C(C=C4)Br,XYWAEOQCJNNOPO-OHWIQJHBSA-N
-EE35080B7AC50273_87372756E730D68E_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC([C@H]3[C@H](C(OC)=O)C3)C,PSPJIRXIIVLTNE-SXNZSPLWSA-N
-EE3D187CF5CCB9EE_032B4F486A10566A_6041_UN,CC(C)(C)C1=NN=C([NH]1)N[C@@H]2C[P](C[C@H]2O[Si](C)(C)C)(=O)C,ZEHCHRSQEJBTRZ-SVAHXIDUSA-N
-EF881746F5816A63_1E713902F9EE0733_6029_UN,N([C@H]1[C@H](CC1)C2=CC=CC=C2)[S](C3=CC=CC(=N3)C)(=O)=O,VEVYQQMDGPVSCH-HUUCEWRRSA-N
-EF9B427ACD9BCF3B_FAD12765D1EC1498_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C)C=C3)C4CCC4,BYODERYLMRKIPR-UHFFFAOYSA-N
-F14492AEA30A1A2D_6085510334D9C5FF_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CC2)[N]3N=CC=N3,JVLBYQDPPLIUCM-UHFFFAOYSA-N
-F14A5C8DABF43419_A8597FDE9AD1A6ED_6026_UN,FC1(F)CC1[N]2C=CC(=N2)[S](=O)(=O)NC(C)C3=CC(=CC=C3)N4CCCC4,MVNOKJFYYXMYAP-UHFFFAOYSA-N
-F1DE008D1407AD6F_C5EDF160739DD429_6036_UN,CC(C1=NC=CC=C1)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,FXJCSRKGTLSGHX-UHFFFAOYSA-N
-F37D25BCD49AA75D_849A48E1C397B8FB_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC(C)C3=CC(=C(C=C3)N4CCN(C)CC4)F,RDTXIRKIVVXDHE-UHFFFAOYSA-N
-F3B087DC04483501_985709251EE16579_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=C(C=C(OC)C=C3)F,XOOHQQLZXLDYSH-UHFFFAOYSA-N
-F4A84A122B62D439_D905C702C5230240_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=C[N](N=N2)C3=CC(=CC=C3)NC4=C(C(C)C)C=CC=C4,DLXVHXGWAIFOOW-UHFFFAOYSA-N
-F5BDA26EEC9557D2_DAEE804B94367C6D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=CC=CC(=N3)N(C)C,IJGJXJKBPCSKFJ-UHFFFAOYSA-N
-F68B03EA12016488_67CEE1ACC85F780C_6031_UN,COC[C@@H]1CC[C@@H](N1)C(=O)OCC23CC(COC)(C2)CO3,IKKWSJJUJZTOIQ-CZWNDGCPSA-N
-F7D6F05199ADFB6E_F9412862F387B6E5_6038_UN,N(C1=CC=C(C=C1)[N]2C=C(C#N)C=N2)C(=O)C34CC(F)(C3)C4,NJZKYFTVOUSREB-UHFFFAOYSA-N
-F7F0045D2C4FFFAA_3CD3F5F5DF0618E9_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)NCC3=C(CN2CCCCC2C)C=CC=C3,NAGIAYJJCSLVJL-UHFFFAOYSA-N
-F8C254CE40718A96_BE3F6AEA1E61F0E5_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C(C3=NC=C[N]3C)N)CC4,JUEXGNGNXLKZGA-UHFFFAOYSA-N
-F931EA9D6EC3D1BE_716F9E13E0A0F4BA_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,VSYMEMOENPFEPS-UHFFFAOYSA-N
-FB7B95D07E97AF62_2895CAF3B5E06568_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(C)N=CC=C3)C4CC4,AWHVBCLSGUHCJX-UHFFFAOYSA-N
-FBB054CC88128CE5_F5CEB2251F481F6B_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC3=C(C=C(OC)C=C3)F,FXQLFLBLXYBKQE-UHFFFAOYSA-N
-FC9CC98A104A6E08_723BF816F3990C9C_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=CC=C3)(=O)=O,ZMDHZUNQRGUABM-UHFFFAOYSA-N
-FD3861386FD46C2E_402EF05BF8F1F085_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CN=C(C)C=C2)(=O)=O)CC3,ZNFGODCFMPIJIJ-UHFFFAOYSA-N
-rxn:2:112203:125965,COc1c(C)cc2c(c1C)CCC2N[C@]12C[C@@]3(C)C[C@](C)(C[C@](C)(C3)C1)C2,LVJKGIXHIYIJOU-UNDLRKCASA-N
-rxn:2:76437:109689,N=S(=O)(C1CC1)N1CCC(NC23C4C5C2C2C3C4C52F)CC1,UHLZGPHXAUFIMM-UHFFFAOYSA-N
-rxn:2:77030:115887,COc1cc2c(cc1OC)C(NC13CN4CN(CN(C4)C1)C3)CC(C)C2,PQHREGLBOMCVJS-UHFFFAOYSA-N
-rxn:2:83091:98225,CC12COCC(C1)C(NC(C)(c1nnc[nH]1)C1C3CC4CC(C3)CC1C4)C2,FRWIUFIRUCKSEJ-UHFFFAOYSA-N
-009368074C04E25F_F0FF8172A64E6A8F_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4(C(OC)=O)CC=CC4,WVYFMGXUOGRCQO-UHFFFAOYSA-N
-00B95345B1B79F75_6BDCDD66C9449FA5_6041_DP,C[N]1N=NC2=C1C=CC(=C2)NC[C@@H]3CNC[C@H]3C4=CN=C[N]4C,OFDNSEJQFZOQEA-WCQYABFASA-N
-039B2102651AEEEB_39DC46F3AC87B80F_6041_UN,OC(=O)C1=N[NH]C(=C1C2=CC=CC=C2)NC3=CCOC3=O,YQZJSBVEXHPYLT-UHFFFAOYSA-N
-047CCC2F4504D5E5_629E9ADB4006088B_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,RULCHFUEUIILOI-UHFFFAOYSA-N
-049E1A83BDEABB48_03AAEA0693463717_6029_UN,ON(CC2=C1C=CC=CC1=CC=C2)[S](C3=CN=C(C=C3)C4(CCCC4)C#N)(=O)=O,JPAIYYXGZZEDND-UHFFFAOYSA-N
-0574084FA2CE239E_36CA694CFDA721DA_6038_DP,N(C1=CC(=CC=C1)C2=CC=CS2)C(C3=CC=CC(=C3)O)=O,VHGAGWQTKSXTGY-UHFFFAOYSA-N
-07211F8517C7F127_79B0AA7D051BA360_6029_UN,C1CC(CCN1[S](C2=C[N](N=C2)C3=CN=CC=C3)(=O)=O)C4=CSC=N4,CTUQDMUUKAZIMZ-UHFFFAOYSA-N
-09189BBB7B27171E_E87149371313157A_6035_UN,COC2(CC(OC1=C([S](C)(=O)=O)C=CC=C1)C2)C(F)(F)F,GEUWNFCMQGSIQO-UHFFFAOYSA-N
-0A175DE8D484B709_B92421410095421C_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(=O)C3=CC=C(C=C3)N4CCOCC4,IOLNGAZFTVDOKR-UHFFFAOYSA-N
-0B475C6E7BDF74A7_8562751DE3D7A8E8_6041_UN,OC(=O)C1CC(=NO1)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,XFRPPHQMDXMPIA-UHFFFAOYSA-N
-0B833FCAB06C5226_C79D8F6AA0F8CB13_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,ICZYLYJDUHCFMC-UHFFFAOYSA-N
-0BAE95596D9624C7_99B89076FB9DCCC0_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)N(C=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,PHLKQYKVYCLAFJ-UHFFFAOYSA-N
-0EB0F3908B70EB4A_0FAE93E10D7D75A7_6003_UN,O(CC1CCC(F)(F)CC1)C2=CC=C([S](C(C)C)(=O)=O)C=C2,MXKNTZIMWBESFI-UHFFFAOYSA-N
-0ED4FD185DCC9D54_236617DCF96E9450_6036_UN,C(C1=CC(=CN=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QNPUIZWFWSIWJS-UHFFFAOYSA-N
-0FA7C0871E949621_AF963C6C195DC10E_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,LYKPQRAZAKLRIC-WMLDXEAASA-N
-11994E885C77DD89_A4A70FBFE31A3738_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,QQSWCOHRHZKIII-UHFFFAOYSA-N
-125011332ED814B2_6A72313EE9EF3079_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3CCOC4=C3C=C(C=C4)F,AOZKFUPWKIBYCA-UHFFFAOYSA-N
-1329746B911D49CF_6384E37E8E9E8D2D_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=C3)(=O)=O)C4=CSC=C4,UGAFNFBOZGJPPL-UHFFFAOYSA-N
-137B39B0C283FE99_49D7CB41454921B1_7015_UN,CCN2CCC(CN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,DYGHBYUOEWAGGQ-UHFFFAOYSA-N
-1388D0F3C0914CE9_2A977D6D5CA8C790_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NCC4=CC=CC(=C4)C[S](C)(=O)=O,PVMOBBQQNYKADE-UHFFFAOYSA-N
-146E209F4E8E98D2_1158FD4E56B1927C_6038_UN,CC2=NOC(C)(CNC(C1=CC=C(CN(C)C)[NH]1)=O)C2,FQRMEVWQPQHONH-UHFFFAOYSA-N
-14708B9C0504744B_030725C3A464AC7F_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)[S](N(C)C)(=O)=O,CMDCASXFXICMJZ-UHFFFAOYSA-N
-147689309471A4DF_55D5C6DFF73C30A5_6028_UN,C1CC(CCN1[S](C2=NC=C[N]2C3=CC=CC=C3)(=O)=O)C4=CSC=N4,HZAFZLAGRDBYKL-UHFFFAOYSA-N
-149E02A2C30685B4_D97FD7D8CA4DE89E_6029_UN,N#CC1=CCN(CC1)[S](C3=C(C2=NN=C(C)O2)C=CC=C3)(=O)=O,AGWBYFRASMOOED-UHFFFAOYSA-N
-153F0429BD932887_558BF38AE67C2287_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CN=C(N(C)C)C=N3)=O,XXYFBUAPZFXUFH-AWEZNQCLSA-N
-16E08531E318135B_A6552E1FEC667792_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]4C3=CC=CC(=C3OCC4)C,XORPOFHFEJKSSN-INIZCTEOSA-N
-17FF2C7B053E098D_DF69D7D24FE61498_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=CC(=C2)Cl)Cl)[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,PWACKDJBOICRSH-DOTOQJQBSA-N
-1B1084F22377043E_0EA8DDE79DE2B304_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,KAXZKOGSZQPTBB-UHFFFAOYSA-N
-1B4A1920FC27EE91_5C0B81A01CDE0D81_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)N[C@H]4C[C@H](C(OC)=O)CC=C4,OFJZXIZVOHSQAY-HUUCEWRRSA-N
-1B7892D6FE3DEE44_6C50C03418E08515_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC(C)(C)C3=CC4=C(C=C3)OCO4,LCKKFYMZUPZPPD-UHFFFAOYSA-N
-1D98B2EF898B42CD_350FAC2E246B0E87_6038_UN,O(C1=CC=C(C=C1)C2CCOCC2)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,RRSJZYCDKVXMPR-UHFFFAOYSA-N
-20A0E2ADBC61C720_1CF03E3B2A12E531_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC3CC(C3)C4=CN=CC=C4,VDNCGXHQEJXBBY-UHFFFAOYSA-N
-2197A7F052249940_4EF25FEA08817AA2_6028_UN,BrC3=CC1=C(CCCCN1[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O)S3,ZZGKGMOFLKPJPU-ZDUSSCGKSA-N
-23186F42F4BFD79F_D62FE2E19F1714E6_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4)C5,XSPYHILRQUVZJQ-UHFFFAOYSA-N
-232566D63C2B2AAD_56327CC979893F9E_6038_UN,CC4=CC1=C(C=CC(=C1)OC(=O)C[N]2N=NC(=N2)C3CC3)[N]4C,TUPZPVLJHGQOPI-UHFFFAOYSA-N
-24C0DBDF9E636F78_68C603E95DE25459_6003_UN,O(C1=CC=CC=C1)C3=CC=C(C(NC2=CC=CC(=C2)C(O)=O)=O)C=C3,YJZKPXQCASVSAI-UHFFFAOYSA-N
-24F53D8DDF515F08_2E31B725B794FA13_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CCN(CC3C)[S](=O)(=O)C,LTLUSTQVNJYBMQ-UHFFFAOYSA-N
-2588A5AAFFD6B2A6_0615E584A6E8C88C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)N5CCCCC5,FKCWZGPZGGDYDC-UHFFFAOYSA-N
-25C1F346DC7B9556_BB544C90A382DD39_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(CC(C)C)C=CC=C3,DXAKBMJAPFIBSK-UHFFFAOYSA-N
-26072B0F35BC8425_E6D0C1217A07C370_6029_UN,C1CC(CCN1[S](C2=C(C=CN=C2)C3=CC=NC=C3)(=O)=O)C4=NC=CS4,BKRCNGBGQHEWCI-UHFFFAOYSA-N
-29D1A32C734E4A43_D08DE17BE5EEC3E5_6029_UN,N(C1CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,YOGIIPKDONUZBV-UHFFFAOYSA-N
-2BB410474CA5D664_C1D6B52E87259210_6034_UN,BrC1=CC=C(C=C1)N2N=CN(C2=O)CC(N)CC3CCC3,KAPJRDWOXDBBTO-UHFFFAOYSA-N
-2C53674E72835E15_B2DFCD810CE19A5E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C[S](C)(=O)=O)C=C4)F,HSCPNHCXFHXLRH-UHFFFAOYSA-N
-2D3E2831A597F5CE_B88272B6F0E60F33_6041_UN,OC(=O)CSC2=C1SC(=CC1=NC=N2)C3=CC=C(C=C3)NC4=CCOC4=O,YWENRMIXQVFSAE-UHFFFAOYSA-N
-2E801E9850FC061F_22E5F884B71B3AD0_6038_UN,CC1=C(C(=CC=C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,IVHJXKCOHLEVHR-UHFFFAOYSA-N
-2ECEB6177B687254_2A7CBE18027F33E2_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,ZTHVDSRYYQNLLN-UHFFFAOYSA-N
-2FAAE593E0FD4680_DD96F992FC685C00_6038_DP,N(C1=C(C=CC=C1)C(=O)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,PSDHQPVIOOTBSJ-UHFFFAOYSA-N
-32FE04E08630EEA9_8BB3467177FFB518_6029_UN,C1CC(CCN1[S](C2=NC=C(C=C2)C3=CC=NC=C3)(=O)=O)C4=CSC=C4,RZDGTKRQVQYZIV-UHFFFAOYSA-N
-34514853F85A8A7B_15C40D4EB27F1465_6041_UN,OC(=O)CC1=NOC(=C1)C2=C(C=CC=C2)NC3=CCOC3=O,PBASOWPNDBFRRL-UHFFFAOYSA-N
-34BC979F84C11286_722BAFB2C8B093DA_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,JFCPKZRXMZFWBH-UHFFFAOYSA-N
-350D530D19DFAEDC_F43912F9DBEB1B44_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](N(C)C)(=O)=O)C=CC=C4,JERYSRZNBHKWLW-UHFFFAOYSA-N
-368094F09E24CBEF_27ADDC634D9EEAD8_6029_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,FKOHPSUWFCUQHO-ZWKOTPCHSA-N
-376ACE1C1900B3AF_659E9B583EA75219_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2=C(CCC2(C)C)C#N)C3=CC=C(C=C3)F,NHDCLNLAJLTOTI-UHFFFAOYSA-N
-38CA6964F03C2D51_CA0108045010CFC3_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,QXKDIDPOQXVFTJ-WMLDXEAASA-N
-3AF26B7B966C6E08_BE4F7529FC27FCD9_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4CNC4,QIZLNLBXNKPYKJ-UHFFFAOYSA-N
-3C31369B5E1BBC02_A544E5C43BF6D022_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=NC(=CC=C3)C4CC4)(=O)=O,SUNNXNVTMDDCIC-DOTOQJQBSA-N
-3D480998E6FE473B_871A5D3F62688038_6038_UN,CC1=NC=C[N]1C2=NC=C(C=C2)NC(C3CC(C)OC3=O)=O,YDSCBHJCDCFFMJ-UHFFFAOYSA-N
-3F916E2BA7C339BC_FA5C6685A357390E_6029_DP,N1CCC(CC1)C(CN[S](C2=C(F)C=CC=C2)(=O)=O)C3=CC=CC=C3,JGLCGCMHVSQGJG-UHFFFAOYSA-N
-40F3274C61D345A5_C6570EF333E589C7_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,AOPGVEHEGXXRJP-HNNXBMFYSA-N
-434E7A58507EB323_8DF9A04F80CC61D5_6041_DP,C[N]1N=NC2=C1C(=CC=C2)NC[C@@H]3CNC[C@H]3C4=CN=C[N]4C,RGGRDCMZMBQENZ-NWDGAFQWSA-N
-44D0701D2B1FC642_48A7E21AAC4AE0F8_6038_UN,CC1OC(C(C1)NC(C3=C[N](C2=N[N](C)C=C2)C=N3)=O)=O,DHSPQUAIEQRJEF-UHFFFAOYSA-N
-44F40ED32289E614_D81D8FEBDAB9E009_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,RVSJXPIFOLKHFM-UHFFFAOYSA-N
-45C807189211340C_C7209A3C55B67567_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](N(C)C)(=O)=O)C=C4)C,SKQXXCMWOHNWAO-UHFFFAOYSA-N
-47627B04C9111329_F1C8D6E20CF30103_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC=C(C=C3)N4CCOC4=O,OLHDZGQGLAZPKD-UHFFFAOYSA-N
-492560C21D5FF732_F2A62C47FD72333C_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,MNGPEJRRYJHWLD-UHFFFAOYSA-N
-496173A65FE3B2A1_DD18A57AEDDD1FE4_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(CCC3(C)C)C#N,PBXCJNKXYQSLIK-UHFFFAOYSA-N
-4A9BFE24BF91B06A_04DC0526D662AC23_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCCC2CCOC3=C2C=CC=C3)C4CC4,RPMWPJGOWFCTMI-UHFFFAOYSA-N
-4B8A2B193E582323_93FB006402F49505_6003_UN,CC2(F)CC(COC1=CC=C([S](C(C)C)(=O)=O)C=C1)C2,WRIREZMDDCNYHJ-UHFFFAOYSA-N
-4C701174939D92F9_97899798306147DE_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@H]3CCOC4=C3C=C(CC)C=C4,PMJBDLNHJJIRKD-IBGZPJMESA-N
-50E22030CBD83A41_D3EE6F6681AA001B_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC(C(OC)=O)CC3=C[N](N=C3)C,BQEAJLUHXYRZHA-UHFFFAOYSA-N
-515B4AC4DD0824A0_476CB5B4C985E075_6029_UN,N(CC1OC(CC1)=O)[S](C2=CC=C(CC(C)C)S2)(=O)=O,FRYQGNXUYOUKNS-UHFFFAOYSA-N
-5171433A212D91DC_B657EC236A1AD4A4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCC5,VFJQELAWIHNOII-UHFFFAOYSA-N
-520AB6157811188A_60275BEF46793A58_7015_UN,CC(N[S](C1=C(CC)C=CC=C1)(=O)=O)C2=CCN(C)CC2,LGGJUFKDWLVCBY-UHFFFAOYSA-N
-524D2EA113B62341_FD5E48C746945043_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C4=CC=NC=C4,SGCXCAAXMAZJRH-UHFFFAOYSA-N
-526710C0ADA2702E_BDDC1650EF09C54D_6038_UN,CC2=C1OC(SC1=CC(=C2)OC(=O)C3=N[NH]C(=C3)C4CC4)=O,LPNOMFGYAMNONY-UHFFFAOYSA-N
-53538E0EA9BC203D_33FED529A3EA2F5E_6038_UN,CN3CCC(OC(=O)CC1=CSC(=N1)C2=NC=CC=C2)C3=O,VXQCNCIINSBKRE-UHFFFAOYSA-N
-54E0724710E93F48_05160629D549357F_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4=C(N3CCN(C)CC3)N=CC=C4,NKQNQTMTFNXPJP-UHFFFAOYSA-N
-56614F44FFCE9D04_71C71E5966AE94E3_6034_UN,C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,NPNDDDMWMQDDGA-UHFFFAOYSA-N
-5758D397AA4CD3BA_2FED6AFAE7F0AC74_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCC3F)C=CC=C4,VJVFBCYMCLTKCJ-UHFFFAOYSA-N
-5792E20BCD1786ED_82F831CDC8C4FA91_6038_UN,C[N]1C=NC2=C1C=CC(=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,NYEXMKIJGCBLOF-UHFFFAOYSA-N
-5AD5C6336134017D_9A7DA5BC1579CFD3_6029_UN,CC1(CC(C1)N[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=CC=CC=C4,BHPQJTMMCQXMEG-UHFFFAOYSA-N
-5BF3DFAB2A2AA26E_EBA709313F8C6F03_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,VMGVQTGMMGYZRW-WMLDXEAASA-N
-5E5B55222BF48534_6156414C237E5B6C_6029_UN,C1C(CN1[S](C2=C[N](N=C2)C3=NC=CS3)(=O)=O)C4=NOCC4,IRWKMMOGFCMFKP-UHFFFAOYSA-N
-605394917DF31A55_D478F24E3EF36A6D_6041_UN,OC(=O)C1=N[N](C=C1)C2=CC(=CC=C2)NC3=CCOC3=O,BHLYJQDGRKLEIK-UHFFFAOYSA-N
-6106FFD9F7A623E7_A9C3DE87E8BFDCA0_7017_UN,N3([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C(C)N)C4=C(CC3)SC=C4,QEBAENRCPLJCLD-UHFFFAOYSA-N
-621314DBDE17973F_C7D26E28CC0E3202_6038_DP,CC1=NC(=CS1)C2=C(C=CC=C2)OC(C3CNNC(C3)=O)=O,QUUPBMURFZCZQA-UHFFFAOYSA-N
-62BB647B5C296F45_275A0257B7D0F9B2_6034_UN,C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC(C4=CC=C([S](C)(=O)=O)C=C4)N,KLWLIXZIUVIGCN-UHFFFAOYSA-N
-62DF431D751B4B2A_504D07BB2CD3EA86_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC=C(SC)C=C3)(=O)=O,SMRVKKDYNPLKRH-UHFFFAOYSA-N
-63819DB9EAE0F9F0_2B1D8CBD8F3B8B37_6029_UN,C1CC(CCN1[S](C2=C(C=CN=C2)C3=CN=CN=C3)(=O)=O)C4=CSC=C4,JBKKMFVWDZCALN-UHFFFAOYSA-N
-63AFAD124C97106A_59E94BA96C4BCD99_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(SCC2)C=CC=C3)C4CC4,XIGKJXGIKJUBOH-UHFFFAOYSA-N
-6492A438DFBBDC87_78FB0A50F3DFD70D_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,VIFGZCJSXLQTGQ-UHFFFAOYSA-N
-65180CFF99D300B2_A0523034F2F6F576_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)N5CCCCC5,AVJRENTVJMNCHV-UHFFFAOYSA-N
-676210EAA72CF312_BE2061E85B324845_6038_UN,CC4=CC1=C(C=CC(=C1)OC(=O)C[N]2N=NN=C2C3CC3)[N]4C,SDRPOQGAQZQIIR-UHFFFAOYSA-N
-6793CFCCBC60DA30_7E9669F4980035B6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,RAABWVLOHJDBGZ-UHFFFAOYSA-N
-68833CDA9A854889_5747401137E5F1E5_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4=C(N3CCN(C)CC3)N=CC=C4,UHVUDKJRFCJQMM-UHFFFAOYSA-N
-6D543422B043FC20_A056C4A1AFF5A4D4_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=NC=C(C=C3)C4CC4)(=O)=O,FIMJGRKEJBWEBX-DLBZAZTESA-N
-6F477B825A9A1A90_4FF15CA0F0B2F1BF_6029_UN,C1CC(CCN1[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)C3=CSC=C3,QIFHWMNKWHNFOX-UHFFFAOYSA-N
-70B1C66B15936745_3F9411569C833069_6029_UN,N(CC1=CC(=CC=C1)C2CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,DKCJWRHTWVECLO-UHFFFAOYSA-N
-721633394A4B2355_52E1C80A861C747F_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)[S](=O)(=O)N5CCCCC5)OC6=CC=CC=C6,BVSAJJMHDBFTHE-UHFFFAOYSA-N
-72AC5AB9EBA37941_1DD0CBE04A77B8B1_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4=CC=C([S](N3CCN(C)CC3)(=O)=O)C=C4,NRDUJKPQBGWJBH-UHFFFAOYSA-N
-76C692D65CD2266A_506C16D05F5CCE22_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,ZFIMSVJGAGOOAK-UHFFFAOYSA-N
-772AA3B03C1CEF6C_BE144FE6D05AA68F_6029_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,YXMYCGAZLVDUFS-UHFFFAOYSA-N
-772F725FDA36CE7F_3AC149FFE28DCCC3_6041_DP,CC(C)C(=O)CC(=O)C1=CC(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3,QTTAUQUMGVNDCB-UHFFFAOYSA-N
-794EB5DEB2A5AE15_168BFC4009E9EC34_6041_UN,C1(=CC2=C(C=C1)[N](CC#C)C=C2)NC3=C(C)C=C(C=C3)C(=O)N4CCSCC4,XUYBQNLPXOHBMS-UHFFFAOYSA-N
-7A78F01E92B52633_50756275972F3C82_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)C[S](C)(=O)=O,GJVVXZNATKXVMN-UHFFFAOYSA-N
-7D910A6959114EB1_67FC8AF6A99E4F93_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CSC)(=O)=O)C4=NC3=C(C=CC=C3)S4,JKXLKAOUDJFUGD-UHFFFAOYSA-N
-7EE87845CBBD8206_43D41F14676AB5DC_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=C(C=CC=C3)N4CCOC4=O,RUMDQKCHSVDDRD-UHFFFAOYSA-N
-800BDCC3A4E26C8B_82D89F2FE7358744_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=NC=C3)=O,ZGPAROXMCYJGST-UHFFFAOYSA-N
-80D235927C165AD3_5BA6256C3D12D219_6038_UN,CC1=[N](C=C(C=C1)OC(=O)CC2CC(C2)[N]3C=NN=C3)=O,MIHWMNWNPWYRMM-UHFFFAOYSA-N
-813761F4814F6544_2C9267EF5E063F3C_6026_UN,ClC2=C1C=C(SC1=NC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C#N)C=C3)CC4,CGWFAPWLMWAJTI-UHFFFAOYSA-N
-813FF2CCF6737961_8A4CC9D338152493_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,QNKSJCAVKSDSKC-UHFFFAOYSA-N
-841F478F07E216F3_EF51C92AB69A3740_6029_UN,C1CC(CCN1[S](C2=C(C=CS2)C3CC3)(=O)=O)C4=NC=NC=C4,LTZSUXNRZGUQHX-UHFFFAOYSA-N
-852CF8695D1336A2_04FB7A3874F6B29E_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N(C2CCN(C)CC2)CC#C)Br,DNTVRBKKUCIJKY-UHFFFAOYSA-N
-86D5E23760BBA86C_BBCCD52B555B8188_6041_UN,C2(=C1C=C[NH]C1=NC=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,YLXZBMUNCRWIAL-ONGXEEELSA-N
-86F3F3A2195CF95C_F0FBBB6378D3F7A0_6029_UN,CC1CC(CN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=CSC=C4,ZRXMZTLDYQQXAP-UHFFFAOYSA-N
-87D6CE4F7368940D_0F73AF8865253A03_6041_DP,C[N]1N=NC2=C1C=CC=C2NC[C@@H]3CNC[C@H]3C4=CN=C[N]4C,JDBGIKHANDZZJH-NWDGAFQWSA-N
-88142AF9A3BE4446_146E3A48E94BD691_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3=C(N2CCC(CN(C)C)CC2)C=CC=C3,HJBWPMQCYLPDQN-UHFFFAOYSA-N
-8A0A88D30564FE07_01BCB39587204FAA_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=C[N](C=N3)C4=NC(=NS4)C5CC5)=O,SWZHXQHWCBJTQL-UHFFFAOYSA-N
-8C77B9B005C1AEEC_072BEA79072603DF_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C)C=C(C=C3)C4CC4,XEFQLOKGDRQNIQ-UHFFFAOYSA-N
-8D77A2D69CE75A96_BA6D9FC3A042EDC9_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC=C(N3CCN(C)CC3)C=C4,GMTMARJZXQQOMK-UHFFFAOYSA-N
-8E0BEEC6D345837A_8140ADA47154BA41_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C(C[S](C)(=O)=O)C=CC=C4,OLYGABBRYVWYRT-UHFFFAOYSA-N
-8E7F17F0EC2A38F2_D8975228DB70F666_6038_UN,CC(C)OC1=C(C=CC=N1)OC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,CGMKBEQNAVSJNO-UHFFFAOYSA-N
-8F955369BA0F3A45_1D90A8944FB42059_6029_UN,C1CN(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C5=C4C=CSC4=CC=N5,CWRZWAWIIUXWBZ-UHFFFAOYSA-N
-9211A8DB3CFE7D87_322C09F3C2A1AD83_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C=C3F)F)C)(=O)=O,CJPMQTJFFQHSEB-UHFFFAOYSA-N
-921BA5B4E2BCEDCF_FC23956B6DEAE40C_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC(=CC=C2)C=CI)(=O)=O,MTFJJVLGHZYDIM-UHFFFAOYSA-N
-92A34F819AFE832C_60053E417C01673A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=C[N](C)N=C3)C4=O,AUUFYOGTDKXTOS-UHFFFAOYSA-N
-94F08346FC97E324_A47FA023D2FF1CB9_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CC(N(C3=C[N](C)N=C3)C4)=O,QRXPCWDGNRZGGX-UHFFFAOYSA-N
-9534115B6E30C6EB_55CBF457DF18E2F0_6041_UN,CC(C)C1=NC(=NC(=C1)C2CCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,JUVLHYQIZJOJKR-UHFFFAOYSA-N
-9689D35F29D8EE05_AFBA84CA7B00024A_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,XKDFVRCEFXITFK-CQSZACIVSA-N
-981177A198D87EE8_CB86533BEEDAE141_6038_DP,ONC(=O)C1=C(C=CC=C1)OC(C2=C[NH]C3=C2C=CC=C3)=O,KHYXFZRRGLBGFH-UHFFFAOYSA-N
-99377B384B34EFD9_E60271FCE60362BC_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC[S](C)(=O)=O,SRZXQDDNPFDFCE-UHFFFAOYSA-N
-997A8C0BF88CF55B_515EA5CA27EF9F02_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(CC(C)(C)CC3)C#N,ANOVMDADEQNCBH-UHFFFAOYSA-N
-999AF3C2E9D204A3_2FAD6E2022CBBF79_6038_UN,CC1=C(C=CC=C1NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,QLLIYENTVFEYNT-UHFFFAOYSA-N
-9A32F394EDF7D6A9_DC2CCECC70F29ACA_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,LAOFZDNMGJIXQX-UHFFFAOYSA-N
-9ACC7994C7F58239_9FE28C3DCDF54625_6038_DP,C[N]1C=NN=C1C2=CC(=CN=C2)OC([C@H]3CSCN3)=O,KKBJBYYJMMRTBF-SNVBAGLBSA-N
-9CE9EFE711C440D1_36C4D679DB5315F5_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,SVMJMUXZGXCVRK-UHFFFAOYSA-N
-9E6CB133F10CB6FA_DE7E2A03A5C396E8_6038_UN,O([C@@H]1COC(=O)C1)C(C3=C[N](C2=N[N](C)C=C2)C=N3)=O,KBADCYRWAQLUNO-QMMMGPOBSA-N
-9E804B6D5013EA26_7FB503FC84E218C7_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,PNOIQBOIQWDPHT-FUHWJXTLSA-N
-A248CAF9A422B826_A47D10A2B3A39BE2_6029_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,PBGXSVJOAIGCTQ-UHFFFAOYSA-N
-A363FD5C467077DB_02739B5F2467E573_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O,HCYDZPUIVSSRFD-UHFFFAOYSA-N
-A3B9D139F629687F_B0D4EB9C86064A52_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC5=C([S](N(C)C4CCCCC4)(=O)=O)C=CC=C5,SXTKRHVWLVTOBZ-UHFFFAOYSA-N
-A4749DD6DCB25033_DCF1C226F639C226_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C[N](C3=NC=CC(=C3)C)N=C4)=O,FSMZXRPJASNXHI-UHFFFAOYSA-N
-A6254D0F813194D2_CF5C2EAED843F0B4_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(=O)C4CCC4,SEKBXINZJGBLAK-UHFFFAOYSA-N
-A768449BE707303C_CD2BBAE8AC4D4301_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=C([S](N(C)C)(=O)=O)C=CC=C4,TXVFSOTYQFLWBD-UHFFFAOYSA-N
-A8A8C0F7F7D98963_8A48EC71C86836B7_7009_UN,N([S](=O)(=O)C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C3=CCC3,WNGZIKQSMKIBHK-UHFFFAOYSA-N
-A8F68501B340830A_4B7005D5AA1714E1_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,UMSXOYNBRJXWGR-UHFFFAOYSA-N
-A9EFD0A42F664619_9BAE93EBD71DE174_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=CC=C(C3=NN=C(C)C=C3)C=C4)=O,YCDBAUWQEMNVKD-UHFFFAOYSA-N
-AA14CA46CBC82843_B9E688D76C499CBF_6029_UN,C1CN(CCN1[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O)C5=C4C=CSC4=NC=N5,BOUFJJFUVBPRBL-UHFFFAOYSA-N
-AA9886A74D5BA6F1_B6A636A993E4A524_6029_UN,C1CC(CCN1[S](C2=CC=NS2)(=O)=O)C4=C3C=CN=CC3=CC=C4,RLFITXKTPSUXNQ-UHFFFAOYSA-N
-AE18FFA250FFAA20_1323BC4AFF4783FC_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,LZEZSFZATAOXFV-HNNXBMFYSA-N
-AE1E2E2813DCF77E_355CB9B96618B6BE_6029_UN,C1CC(CCN1[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C3=CSC=C3,QHTXIOBRCYKOEF-UHFFFAOYSA-N
-AFF564E2AEB8DDF8_6D56F593204F5E90_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,UNLGNVXAIGXGIL-UHFFFAOYSA-N
-B0400A400E8E44C6_7102CAA004FF026D_6026_UN,FC1=C(C=C(C=N1)[S](=O)(=O)N(C2CCN(C)CC2)CC#C)Cl,UMSQOQRFESRVIR-UHFFFAOYSA-N
-B08E41F58CA99B53_7D69BAB4D98581A6_6003_UN,O(C1CCC(F)(F)CC1)C2=CC=C([S](C(C)C)(=O)=O)C=C2,QOBIOGFWHXYZOW-UHFFFAOYSA-N
-B4175F758BBB130B_D9F2B7F06CAC2F85_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CCN([S](N(C)C)(=O)=O)CC3,DFMCKESHKPRMQV-UHFFFAOYSA-N
-B4184FC5B36679E7_3ACFE21C5C2545EB_6038_DP,CC1=NC(=CS1)C2=CC=C(C=C2)OC(C3CNNC(C3)=O)=O,AXDUHLSJUOPHLY-UHFFFAOYSA-N
-B95C45D3F2EC1543_3F274925920A972D_6038_UN,O(C1=CC(=CC=C1)OC2CC2)C(CC3=NN=C[N]3C)=O,BYKQXQCAAGIYNQ-UHFFFAOYSA-N
-B99406EE3A72A0FB_69DAE13EE749F3A0_6038_DP,CC1=CSC(=N1)C2=CC(=CC=C2)OC(C3CNNC(C3)=O)=O,OEBPRVMDWKBSLU-UHFFFAOYSA-N
-BE9E3D2CD996D0C5_11ED2741A5EDE415_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,FDYNWOKWUAZOAD-UHFFFAOYSA-N
-BF4B82A1AE3716DB_510E0528C8036B59_6029_UN,N(CC1=CC=C(C=C1)C2CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,BLMCYDPWIQKIJV-UHFFFAOYSA-N
-BF9C75616B7021C6_1E9B7A0B5AE681B1_6038_UN,CN1C(O[C@@H](C1)CNC(C3=C[N](C2=N[N](C)C=C2)C=N3)=O)=O,HRMUTYSYIXXYRG-SECBINFHSA-N
-BFB38AF5FC7D342D_622A7109173B83E1_6041_UN,OC(=O)C2=C1NC(NC1=CC(=C2)NC(C3=CC=CS3)C4=CC=CC=C4)=O,WTRZZDBGIRFBJG-UHFFFAOYSA-N
-BFB49916BBB76172_332467A32B4D082D_6034_UN,C1=CN(C(=N1)C3=C2N=CC=CC2=CC=C3)CC4(C)COC(=O)N4,YORZBAHBJXIDKH-UHFFFAOYSA-N
-C01D041A0884F5C5_82DADE5113DB1A5E_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NC4=CC=C([S](N3CCN(C)CC3)(=O)=O)C=C4,PCXGKDWIVZCVPF-UHFFFAOYSA-N
-C12D24A2AB2D1501_B38D5F1BCE637BCB_6036_UN,C(CC1=C(C=CS1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QBSOIJJBQWBQNY-UHFFFAOYSA-N
-C22F1428BA7A5FD0_EF6319BB67B8CF6F_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OC3)C=CC(=C4)F,VHDQTVWRIYMLEW-UHFFFAOYSA-N
-C2D73256E70A9F60_D84E39D69DFEC5CE_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C3=CC=CS3)C4=CC=CS4,VAIUSGGXSFHHIK-UHFFFAOYSA-N
-C2DFCE71FCD81C94_A4EB88F4FE587914_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC4=CC(=NO4)C(N(C)C)=O,GKIJGZDDLZSXMO-UHFFFAOYSA-N
-C736EBD8D47B83A7_89A330E940F232C4_6028_UN,C1CC(CCN1[S](C2=NC(=C[NH]2)C3=CC=CC=C3)(=O)=O)C4=CSC=C4,VGVBZEAGYARILN-UHFFFAOYSA-N
-C7A80ABDE7E72118_563E52C7429917D8_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C=C3Cl)F)C)(=O)=O,COPVCSHZQTWDQS-UHFFFAOYSA-N
-CEE3ACA2E1E6EC81_8E303D5976C161CE_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,MGZHDSJATRJDIP-WMLDXEAASA-N
-CF77E916B488CB7C_FA1ECFD3971F7F2A_6029_UN,C1C(CN1[S](C2=CC3=C(N=C2)C=C[NH]3)(=O)=O)OC4=NC=CS4,OMWUAIGVXJORKO-UHFFFAOYSA-N
-D13D5F3AFFCC2E12_BA3D4D10739F8F80_6036_UN,C(CCC1=CC(=CS1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,GERBFFXCZUMLRY-UHFFFAOYSA-N
-D355E7F0A3AABD2A_9445653BC5CDDD92_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)(=O)=O,HHYORJZVGKOPCH-UHFFFAOYSA-N
-D3B1E11C0B1211DA_AD98B321CD2EEE69_6029_UN,C1CC(CCN1[S](C2=NC=C(N=C2)[N]3C=CC=C3)(=O)=O)C4=CSC=N4,FKRAVKHCBQPEBO-UHFFFAOYSA-N
-D46D5E7215F5122E_C7B866B8F72AAC7F_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(CC(C)C)S3)(=O)=O)C=CC=C4,NOZMZRFAOKPADT-UHFFFAOYSA-N
-D56A46DBA4E3BA41_7CE3F1B12ED91083_6026_UN,ClC2=C1C=C(SC1=NC=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,CWMJZEVGSPTONX-UHFFFAOYSA-N
-D68F1DDCB9C5E1D6_A39DE03697F0E0C0_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4=C(N3CCN(C)CC3)N=CC=C4,GXVTYKUBDARMHO-UHFFFAOYSA-N
-D7D84D820C1D48B8_272BAA9E3FEB0C79_6038_UN,N(C2=C1N=CC=NC1=CC=C2)C([C@@H]3[C@@H](N(C)CC3)C4=CC=CC=C4)=O,UUDLDUYDRUBNQL-KXBFYZLASA-N
-D90D81FAE929E8ED_94A41AC110ED5067_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)N5CCC[S]5(=O)=O,JDRYMPFKKQFRLC-UHFFFAOYSA-N
-D9CC3236124CB071_0F79E1F1EDA28DB1_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C=C(C)C=C3F)F)(=O)=O,LAJPIMFXYUUDCY-UHFFFAOYSA-N
-DA65EAC36FAD5D08_16F48C2A5720AC66_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3=CCC3,AWVIHJYVGFQLLJ-UHFFFAOYSA-N
-DC2799AAC700042A_99CE525427223FC9_6038_UN,O([C@@H]1COC(=O)C1)C(=O)CC2=CSC(=N2)C3=NC=CC=N3,LXIXRTJSTYQTSJ-VIFPVBQESA-N
-DC48717874CAF18F_CD0471A40DC12AB5_6036_UN,C(C1CC1)(C2=CC=C(Br)S2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,ORLVPEWHIGBEJO-UHFFFAOYSA-N
-DD627D74FC6AB84A_5FA496313EC4A259_6038_UN,CC2=C1OC(SC1=CC(=C2)OC(=O)C3=NC=NC(=C3)C4CC4)=O,AUQOBZRRBMRMBH-UHFFFAOYSA-N
-DECBA34DC82BEA63_20250DEFCA1538C6_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)N=C3)(=O)=O)C4=CSC=C4,RJQZPAUKISQQBF-UHFFFAOYSA-N
-DECD149CA5B098EF_42D4DEE3C67100E3_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,AFYGTSLQDPAVFK-UHFFFAOYSA-N
-E02FE44EFB7D8540_3FB21E1ECC13BDAD_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4=C(N3CCN(C)CC3)C=CC=C4,QFMUONRSZGKZAV-UHFFFAOYSA-N
-E0DA6210B6B4FF44_CBF8950DDBFD4E3F_6038_DP,N3CCC(OC(=O)C[N]1N=NN=C1C2=CSC=C2)C=C3,PHYUJQFPZZEBRM-UHFFFAOYSA-N
-E0F50776A5CB59C1_B9470A4FC6EB9F5F_6029_UN,OCC1=CCN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,JOIYSFVSFJMBJB-UHFFFAOYSA-N
-E1DF23E685AD1AC4_0AAB58E35122035C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N(C)C4CC4)(=O)=O)C=C5,XZCJMGWLCFRBBS-UHFFFAOYSA-N
-E3E500B51681970F_104E0CFD982CB9C0_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=C(N(C)C)C=N3)=O,ZHLTVUWLTPSVNY-ZDUSSCGKSA-N
-E3ED99E7F73744D1_91515B7C15A88386_6038_UN,CC1=NC(=C(C=C1)OC(C2=CC=CC(=N2)N3CCN(C)C(C3)=O)=O)[N](=O)=O,IIMNUWCXUGQEQN-UHFFFAOYSA-N
-E535E4E4E9E77A45_499BC4D92623D51C_6038_UN,CC1=NC(=C(C=C1)OC(C3=CN=C(N2CCN(C)CC2)S3)=O)[N](=O)=O,JNTNFXYZRFJQHU-UHFFFAOYSA-N
-E5F81FEDB129750F_34FC7B1790B2B9AF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](N(C)C)(=O)=O)C=C4,VSMKSMPPRHYYAB-UHFFFAOYSA-N
-E782A499445F7033_EDB46A3DAAF0B4EB_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,VBNXIMNSUBSKET-UHFFFAOYSA-N
-E7907667D6D6353C_E7D1439F3A13CE33_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CCN([S](N(C)C)(=O)=O)CC3,BUCIWIXOVWHCJI-UHFFFAOYSA-N
-E7F86A67E7A301EE_9E67AB6F30AD99C7_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,KGBYOSKWSYZJGL-UHFFFAOYSA-N
-E9738AE04D89D0BB_1D3E1678E8CF1D3A_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NC4=CC(=C(C=C4)F)C(CCC)=O,UCTYZNAFJPKYHH-UHFFFAOYSA-N
-EB5C7C422D8787D3_4F57C5BE0A2B8A33_6031_UN,CC1=NC(=NO1)C[N]2N=NC(=C2C)C(=O)OCC3=CC(=C(N(C)C)C=C3)F,OYLDFXHEYDHQJJ-UHFFFAOYSA-N
-EC8D87F8EF843453_31E1B06AC1DFFAA1_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C)N(C)C2=NC=C[N]3C=NN=C23)=O,VQVWEDDIIOKFCE-UHFFFAOYSA-N
-EE99E9513AA9285A_7C43B81FE9E08869_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LBNVQECWKKOUOQ-UHFFFAOYSA-N
-EF239BAC3E9F6402_910A643264E374E1_6041_DP,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC(=C(N3CCNCC3)C=C4)F,CIBVWIGNUIFIHW-UHFFFAOYSA-N
-EF5738A51FCD9218_192143ED48BBD07B_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,GYQPTJPAMUGNIW-UHFFFAOYSA-N
-EF842008379076D0_0C8440CDC7AB8DDF_6038_UN,N(C1=CC(=CC=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,JFWMCJUSJFBZRU-UHFFFAOYSA-N
-F2160B308D5AA623_84F0B970C0E8E7CA_6038_UN,CC2=C1SC(OC1=CC(=C2)OC(=O)C3=N[NH]C(=C3)C4CC4)=O,IKMSZSSBYTYEQV-UHFFFAOYSA-N
-F2190BF8E90BC57D_ACEE7CDC745F1631_6043_UN,C1(=NC(=NC=C1)C2CCC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,MBLQMIHGYBSNMH-UHFFFAOYSA-N
-F3235963C954291D_B4A0A1D147BE6297_6029_UN,C1CC(CCN1[S](C2=CC3=C(C=C2)C=C[NH]3)(=O)=O)C4=CSC=N4,RJWWMTAOMQFQMD-UHFFFAOYSA-N
-F3499057CAD13E56_C37C816C20D8572E_6036_UN,C(C1=CC(=CN=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,NMGAAQHDVNVLQK-UHFFFAOYSA-N
-F5559ED638A27097_8EA1459D4C4F1380_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=CN=C3)=O,DJXCGCHUCJKIFU-UHFFFAOYSA-N
-F612695B80EE73A2_8F3175962CEE35A1_6041_UN,CN4NC1=C(C=C(C=N1)NC(C2CC2)C3=CC=CS3)C4=O,VUXDFGJZPCABNO-UHFFFAOYSA-N
-F7FA0118757FDF06_602A144DEC173B2E_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC(=C2)Br)N4C(C3(CCC3)C4)C5=CN=CC=C5,MAHXNYHYQJPZIL-UHFFFAOYSA-N
-FA010F56A9D79AA3_8A74BBE397E9AB7C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC(C(OC)=O)CC4=C[N](N=C4)C,AUIVEFZDHHLXGS-UHFFFAOYSA-N
-FBC2539C15A80629_2B8F955AF76D2768_6041_UN,CC(C)(C#N)C1=C(N=CC=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,KCFKTEHJKPPBMQ-AWEZNQCLSA-N
-FC8F259BCFB091D6_2BB6D4953423F9D7_6041_UN,COC1=C(C=C(C=C1)C(O[Si](C)(C)C)C#N)NC2=C(C=CC(=C2)C3=NN=N[NH]3)F,XXHVYBLUEHCGIF-UHFFFAOYSA-N
-FEDB58E2A886D96E_BD40DE145AF0D50F_6029_UN,C1C(C4=C(CN1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)C=CC=C4)C5=CC=CS5,GOBZUVJEJREODS-UHFFFAOYSA-N
-FF2DA2061B754F13_22C71869C0D3966F_6029_UN,OC1=C(C=CC=C1)C2=CCCN(C2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,MKBQQTPSPRFMAW-UHFFFAOYSA-N
-FF3E79819A2594F8_1415D1215046E446_6029_UN,C1CC(=CCN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CS4,AQYHZAKCAXOENT-UHFFFAOYSA-N
-FF5D50468C0ABA52_C59A776B93893354_6028_UN,C1CC(CCN1[S](C2=NC(=C[NH]2)C3=CC=CC=C3)(=O)=O)C4=CSC=N4,MRRKVKJTJRHAJZ-UHFFFAOYSA-N
-rxn:2:101341:73038,CCc1cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)ccc1N1CCOCC1,QYCUWBXJYTVPNU-UHFFFAOYSA-N
-rxn:2:101341:79723,CCc1cc(NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)ccc1N1CCOCC1,BKODKHMISNGWAO-UHFFFAOYSA-N
-rxn:2:103475:165176,CCN1CCN(c2ncc(C(C)NC3CCCc4ccc(S(=O)(=O)F)cc43)cc2C)CC1,CWSNMWYUPDABNN-UHFFFAOYSA-N
-rxn:2:104745:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(N(C)C)ccc2S(C)(=O)=O)CC1,JPHHSRNSVWAWPU-UHFFFAOYSA-N
-rxn:2:104745:79723,CCC(Nc1cc(N(C)C)ccc1S(C)(=O)=O)c1ccc(N2CCN(CC)CC2)nc1C,MDJFZHSJTOZTJZ-UHFFFAOYSA-N
-rxn:2:112123:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ncc(S(=O)(=O)CC)c(C4CC4)n3)c(C)n2)CC1,KLVVUSUYGPEIRI-UHFFFAOYSA-N
-rxn:2:112123:117468,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1ccc(N2CCN(C(C)C)CC2)nc1,ANXXTTRWBLWNEO-UHFFFAOYSA-N
-rxn:2:112123:134221,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1cnc(N2CCN(C)CC2)cc1C,QWBJOQBTNQGWTP-UHFFFAOYSA-N
-rxn:2:112123:141775,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1ccc(N2CCN(C(C)C)CC2)nc1C,ZJFQRHVRCNGESK-UHFFFAOYSA-N
-rxn:2:112123:79723,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1ccc(N2CCN(CC)CC2)nc1C,JHKSBNYDHJBJPV-UHFFFAOYSA-N
-rxn:2:112123:87087,CCC(Nc1ncc(S(=O)(=O)CC)c(C2CC2)n1)c1cnc(N2CCN(C(C)C)CC2)cc1C,DJKPHCKQEBNXBR-UHFFFAOYSA-N
-rxn:2:116121:73773,CCN1CCN(c2cc(C)c(CNC(c3ccc4c(c3OC)COCO4)C(C)C)cn2)CC1,WLECYXKXBXYOEW-UHFFFAOYSA-N
-rxn:2:116121:82488,CCCC(NCc1cnc(N2CCN(CC)CC2)cc1C)c1cccc(S(=O)(=O)CC)c1,IKNKDGLRWBBJPW-UHFFFAOYSA-N
-rxn:2:116433:73038,CCC(Nc1ncc(S(C)(=O)=O)c(C2CC2)n1)c1cnc(N2CCN(CC)CC2)cc1C,SVXVHXWEPYOMNY-UHFFFAOYSA-N
-rxn:2:116433:79723,CCC(Nc1ncc(S(C)(=O)=O)c(C2CC2)n1)c1ccc(N2CCN(CC)CC2)nc1C,SZQUWRKKPXDKFY-UHFFFAOYSA-N
-rxn:2:116433:87087,CCC(Nc1ncc(S(C)(=O)=O)c(C2CC2)n1)c1cnc(N2CCN(C(C)C)CC2)cc1C,MRUOZDFSXLFMEK-UHFFFAOYSA-N
-rxn:2:116870:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ccn(C)c(=O)c2S(C)(=O)=O)CC1,FTYDNZNNPINCPA-UHFFFAOYSA-N
-rxn:2:117893:165176,CCC(NC1CCCc2ccc(S(=O)(=O)F)cc21)c1cnc(N2CCN(C)CC2)cc1C,VTCZOMCZVKHQSY-UHFFFAOYSA-N
-rxn:2:117893:73773,CCC(NC(c1ccc2c(c1OC)COCO2)C(C)C)c1cnc(N2CCN(C)CC2)cc1C,LHSHKEAENFEIIO-UHFFFAOYSA-N
-rxn:2:121800:130197,CCC(Nc1cc(N(C)C)ccc1S(=O)(=O)CC)c1ccc(N2CCN(C)CC2)nc1C,SJEYLZHUFQVSEI-UHFFFAOYSA-N
-rxn:2:121800:73038,CCC(Nc1cc(N(C)C)ccc1S(=O)(=O)CC)c1cnc(N2CCN(CC)CC2)cc1C,BKWRURRMUNTZKQ-UHFFFAOYSA-N
-rxn:2:121800:86695,CCC(Nc1cc(N(C)C)ccc1S(=O)(=O)CC)c1ccc(N2CCN(CC)CC2)nc1,DWGLLMXPMDYWBC-UHFFFAOYSA-N
-rxn:2:121988:130197,CCC(Nc1c(OC(C)C)cc(C)c(N(C)C)c1C)c1ccc(N2CCN(C)CC2)nc1C,XWNCPIXXCZCIRE-UHFFFAOYSA-N
-rxn:2:121988:134221,CCC(Nc1c(OC(C)C)cc(C)c(N(C)C)c1C)c1cnc(N2CCN(C)CC2)cc1C,JZEDIRLQNSLREU-UHFFFAOYSA-N
-rxn:2:128317:117468,CCCn1c(NC(CC)c2ccc(N3CCN(C(C)C)CC3)nc2)cc(=O)n(CCC)c1=O,AKPNMWXTMOKMSK-UHFFFAOYSA-N
-rxn:2:128317:130197,CCCn1c(NC(CC)c2ccc(N3CCN(C)CC3)nc2C)cc(=O)n(CCC)c1=O,QRAZCWKFTLTFQW-UHFFFAOYSA-N
-rxn:2:128317:134221,CCCn1c(NC(CC)c2cnc(N3CCN(C)CC3)cc2C)cc(=O)n(CCC)c1=O,VMWUFZIGFBFKEW-UHFFFAOYSA-N
-rxn:2:128317:73038,CCCn1c(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)cc(=O)n(CCC)c1=O,SDDPEPDRVQHFIP-UHFFFAOYSA-N
-rxn:2:128317:79723,CCCn1c(NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)cc(=O)n(CCC)c1=O,FFODPEITJHLDPO-UHFFFAOYSA-N
-rxn:2:129595:73038,CCCCn1c(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)cc(=O)n(C)c1=O,UZXABMLIFKPBOS-UHFFFAOYSA-N
-rxn:2:129595:79723,CCCCn1c(NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)cc(=O)n(C)c1=O,SVFXOPFJXDOHHI-UHFFFAOYSA-N
-rxn:2:130796:79723,CCCCn1c(=O)cc(NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)n(C)c1=O,XBDTWQAZXGCBJM-UHFFFAOYSA-N
-rxn:2:130903:87087,CCCn1c(=O)cc(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)n(C)c1=O,ROIKVKNYXZHVJW-UHFFFAOYSA-N
-rxn:2:131558:73038,CCC(Nc1c(C)n(C)c(=O)n(C(C)C)c1=O)c1cnc(N2CCN(CC)CC2)cc1C,DHTFDWYGJDYRDN-UHFFFAOYSA-N
-rxn:2:133117:134221,CCC(NC(C)c1c(C)cc(=O)n2c1N(C)CC2)c1cnc(N2CCN(C)CC2)cc1C,HKYATDYSBZBVRL-UHFFFAOYSA-N
-rxn:2:134842:165176,CCN1CCN(c2ccc(C(C)NC3CCCc4ccc(S(=O)(=O)F)cc43)c(C)n2)CC1,DXDWJKAFWYRRCU-UHFFFAOYSA-N
-rxn:2:139789:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3NC(C)(C)c2ccc(C(C)C)n(CC)c2=O)CC1,PRBHMCBHRNCDDP-UHFFFAOYSA-N
-rxn:2:141563:87087,CCCn1c(=O)cc(NC(CC)c2cnc(N3CCN(C(C)C)CC3)cc2C)n(CC)c1=O,FZSNSVYAZHBJLT-UHFFFAOYSA-N
-rxn:2:145813:101788,CCN1CCN(c2nc(C)c(C(C)NCc3cc(S(=O)(=O)CC)c(=O)[nH]c3C)c(C)n2)CC1,JYIGCMJZBQSLQO-UHFFFAOYSA-N
-rxn:2:145813:130197,CCC(NCc1cc(S(=O)(=O)CC)c(=O)[nH]c1C)c1ccc(N2CCN(C)CC2)nc1C,NRFVQPIOEQCXAG-UHFFFAOYSA-N
-rxn:2:145813:134221,CCC(NCc1cc(S(=O)(=O)CC)c(=O)[nH]c1C)c1cnc(N2CCN(C)CC2)cc1C,YULMRTNHSBVHBI-UHFFFAOYSA-N
-rxn:2:145813:79723,CCC(NCc1cc(S(=O)(=O)CC)c(=O)[nH]c1C)c1ccc(N2CCN(CC)CC2)nc1C,NHZHBGOSTSWUTF-UHFFFAOYSA-N
-rxn:2:145813:86695,CCC(NCc1cc(S(=O)(=O)CC)c(=O)[nH]c1C)c1ccc(N2CCN(CC)CC2)nc1,RXDNUWYMNYAUQH-UHFFFAOYSA-N
-rxn:2:146430:130197,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)c(C)cc21,RTPMXEFCSNMPCH-UHFFFAOYSA-N
-rxn:2:146430:73038,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)c(C)cc21,LGJUCHVQFVMDMC-UHFFFAOYSA-N
-rxn:2:146430:79723,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3C)c(C)cc21,WFNPKWBZJNUOKA-UHFFFAOYSA-N
-rxn:2:146430:86695,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3)c(C)cc21,HPTIOUZDMNTYLK-UHFFFAOYSA-N
-rxn:2:147005:130197,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC(CC)c1ccc(N2CCN(C)CC2)nc1C,VGMWXGSTPRZJQI-UHFFFAOYSA-N
-rxn:2:147005:134221,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC(CC)c1cnc(N2CCN(C)CC2)cc1C,KGSMOKSZLWZXHB-UHFFFAOYSA-N
-rxn:2:147005:73038,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC(CC)c1cnc(N2CCN(CC)CC2)cc1C,JQFANHXBSKLCRI-UHFFFAOYSA-N
-rxn:2:147005:79723,CCc1[nH]c(=O)c(S(=O)(=O)CC)cc1CNC(CC)c1ccc(N2CCN(CC)CC2)nc1C,VDUSRUJGTVISAO-UHFFFAOYSA-N
-rxn:2:147285:79723,CCCn1c(=O)n(CCC)c2cc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3C)ccc21,SJWQJRWZYWCUTK-UHFFFAOYSA-N
-rxn:2:147297:79130,CC(C)COc1cncc(N2CCC(NCc3cc(S(C)(=O)=O)c(=O)[nH]c3C(C)C)CC2)c1,ANXLKYKVPIDWOU-UHFFFAOYSA-N
-rxn:2:148377:79723,CCCc1cnc2c(c1NC(CC)c1ccc(N3CCN(CC)CC3)nc1C)c(=O)n(C)c(=O)n2C,LYRYMTFQXOHFTN-UHFFFAOYSA-N
-rxn:2:152451:130197,CCC(Nc1cc(C)n(C)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(C)CC2)nc1C,GCMGNGADPWDCSD-UHFFFAOYSA-N
-rxn:2:152451:134221,CCC(Nc1cc(C)n(C)c(=O)c1S(=O)(=O)CC)c1cnc(N2CCN(C)CC2)cc1C,LWBUQKBIESQKGY-UHFFFAOYSA-N
-rxn:2:153742:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccn(C)c(=O)c3S(=O)(=O)CC)c(C)n2)CC1,LXGXHRVSJPUSCD-UHFFFAOYSA-N
-rxn:2:153742:79723,CCC(Nc1ccn(C)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(CC)CC2)nc1C,QAOFAABQWNVYFN-UHFFFAOYSA-N
-rxn:2:153938:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(S(=O)(=O)C(C)C)c(=O)n(CC)c2)CC1,WTJDOMYBFNIXKS-UHFFFAOYSA-N
-rxn:2:156021:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2c(C)c(C)n(C)c(=O)c2S(=O)(=O)CC)CC1,AGCRBJHNZYEVQN-UHFFFAOYSA-N
-rxn:2:156822:130197,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(CC)c1)c1ccc(N2CCN(C)CC2)nc1C,YTRJYEHHARSRCG-UHFFFAOYSA-N
-rxn:2:156822:134221,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(CC)c1)c1cnc(N2CCN(C)CC2)cc1C,HANYHXMZMFYJLM-UHFFFAOYSA-N
-rxn:2:156822:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(S(=O)(=O)CC)c(=O)n(CC)c2)CC1,QONBJYBUQSTPNC-UHFFFAOYSA-N
-rxn:2:156822:79130,CCn1cc(NC2CCN(c3cncc(OCC(C)C)c3)CC2)cc(S(=O)(=O)CC)c1=O,GUOLPJGSXJEUQC-UHFFFAOYSA-N
-rxn:2:156822:86695,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(CC)c1)c1ccc(N2CCN(CC)CC2)nc1,UJANOUJFVCBNGT-UHFFFAOYSA-N
-rxn:2:157678:125863,CCN1CCN(c2ncc(C(C)Nc3ccn(C4CC4)c(=O)c3S(C)(=O)=O)c(C)n2)CC1,ODXJNHHKTKHHKF-UHFFFAOYSA-N
-rxn:2:157678:130197,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1ccc(N2CCN(C)CC2)nc1C,MKFRWYKYJOANTK-UHFFFAOYSA-N
-rxn:2:157678:73038,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1cnc(N2CCN(CC)CC2)cc1C,ZRWUVOLOIGNBPB-UHFFFAOYSA-N
-rxn:2:157678:79723,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1ccc(N2CCN(CC)CC2)nc1C,OBTWDTGLKXTFKN-UHFFFAOYSA-N
-rxn:2:157678:86695,CCC(Nc1ccn(C2CC2)c(=O)c1S(C)(=O)=O)c1ccc(N2CCN(CC)CC2)nc1,IXVWPIVUOKAWCQ-UHFFFAOYSA-N
-rxn:2:160793:79130,CC(C)COc1cncc(N2CCC(Nc3cc(S(=O)(=O)C(C)C)c(=O)n(C)c3)CC2)c1,DLNDNEHQZGGZID-UHFFFAOYSA-N
-rxn:2:161571:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccn(C4CC4)c(=O)c3S(=O)(=O)CC)c(C)n2)CC1,CWRLGCCGGMFSOR-UHFFFAOYSA-N
-rxn:2:161571:130197,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(C)CC2)nc1C,MEZICBJBKCMMGE-UHFFFAOYSA-N
-rxn:2:161571:79130,CCS(=O)(=O)c1c(NC2CCN(c3cncc(OCC(C)C)c3)CC2)ccn(C2CC2)c1=O,CFIVDWIMONGWNN-UHFFFAOYSA-N
-rxn:2:161571:86695,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(CC)CC2)nc1,AUEUJENSLLDUAC-UHFFFAOYSA-N
-rxn:2:161571:94440,CCC(Nc1ccn(C2CC2)c(=O)c1S(=O)(=O)CC)c1ccc(N2CCN(C)CC2)nc1,PQPQPWRUHAHRNS-UHFFFAOYSA-N
-rxn:2:162155:165431,CCc1cc(=O)n(C(C)C)c2cc(NC3CCCc4nc(N5CCN(CC)CC5)nc(C)c43)ccc12,CCVQDFRLUDCDOH-UHFFFAOYSA-N
-rxn:2:164926:73038,CCC(Nc1cc(S(=O)(=O)CC)c(=O)n(C)c1)c1cnc(N2CCN(CC)CC2)cc1C,SOQQWTDTBOVIMZ-UHFFFAOYSA-N
-rxn:2:165756:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(S(C)(=O)=O)c(=O)n(C(C)C)c2)CC1,HBIPMPZDCRFGIG-UHFFFAOYSA-N
-rxn:2:165756:86695,CCC(Nc1cc(S(C)(=O)=O)c(=O)n(C(C)C)c1)c1ccc(N2CCN(CC)CC2)nc1,QCWGXEVEMDTISY-UHFFFAOYSA-N
-rxn:2:165833:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(C)n(C)c(=O)c2S(C)(=O)=O)CC1,QSJNULBVPQFGQQ-UHFFFAOYSA-N
-rxn:2:66407:165176,CCC(NC1CCCc2ccc(S(=O)(=O)F)cc21)c1ccc(N2CCN(C)CC2)nc1C,PQNHIHZQYGMVEJ-UHFFFAOYSA-N
-rxn:2:67497:73038,CCC(Nc1ccc(N2CCOCC2)c(C)c1)c1cnc(N2CCN(CC)CC2)cc1C,JEXDKRBYCLBFQG-UHFFFAOYSA-N
-rxn:2:67497:79723,CCC(Nc1ccc(N2CCOCC2)c(C)c1)c1ccc(N2CCN(CC)CC2)nc1C,VNNIHFZVABPIRK-UHFFFAOYSA-N
-rxn:2:68609:130197,CCC(Nc1ccc(N(C)C(C)C)nc1OC(C)C)c1ccc(N2CCN(C)CC2)nc1C,MJIWLOWOSTYFQE-UHFFFAOYSA-N
-rxn:2:68826:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCCc2cccc(N3CCN(C)CC3)n2)c1C,MZQFNLRRQXQWOM-UHFFFAOYSA-N
-rxn:2:70336:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(S(C)(=O)=O)c(N(C)C)c3)c(C)n2)CC1,MGOPCRWHDXIVCW-UHFFFAOYSA-N
-rxn:2:73607:141775,CCC(NCc1cc2c(n(C)c1=O)CCC2)c1ccc(N2CCN(C(C)C)CC2)nc1C,RHZYETRNGBPFAQ-UHFFFAOYSA-N
-rxn:2:76655:73773,CCN1CCN(c2ccc(CNC(c3ccc4c(c3OC)COCO4)C(C)C)c(C)n2)CC1,RARZFNAOLJZWQF-UHFFFAOYSA-N
-rxn:2:82760:134221,CCc1cc(=O)n2c(c1CNC(CC)c1cnc(N3CCN(C)CC3)cc1C)N(C)CCC2,LNRREIMJCBFEKR-UHFFFAOYSA-N
-rxn:2:83312:141775,CCCn1c(NC(CC)c2ccc(N3CCN(C(C)C)CC3)nc2C)cc(=O)n(C)c1=O,WMVBKLJYBNGNMR-UHFFFAOYSA-N
-rxn:2:85088:125863,CCN1CCN(c2ncc(C(C)Nc3cc(N(CC)CC)ccc3S(C)(=O)=O)c(C)n2)CC1,IXIHDZRJFYIUBQ-UHFFFAOYSA-N
-rxn:2:85088:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2cc(N(CC)CC)ccc2S(C)(=O)=O)CC1,IVLKPDFRXYWDMD-UHFFFAOYSA-N
-rxn:2:85088:91208,CCN(CC)c1ccc(S(C)(=O)=O)c(NC(C)c2c(C)nc(N3CCN(C)CC3)nc2C)c1,DOJOIYKKADERQJ-UHFFFAOYSA-N
-rxn:2:90756:101788,CCN1CCN(c2nc(C)c(C(C)Nc3cc(OC)c(S(=O)(=O)C4CC4)cn3)c(C)n2)CC1,ZYRKMXYOPZIFCZ-UHFFFAOYSA-N
-rxn:2:90756:134221,CCC(Nc1cc(OC)c(S(=O)(=O)C2CC2)cn1)c1cnc(N2CCN(C)CC2)cc1C,SXJKTPFKAXHTGU-UHFFFAOYSA-N
-rxn:2:90756:73038,CCC(Nc1cc(OC)c(S(=O)(=O)C2CC2)cn1)c1cnc(N2CCN(CC)CC2)cc1C,CPFFFCCRCJAIGX-UHFFFAOYSA-N
-rxn:2:92087:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2cnc(N3CCN(C)CC3)cc2C)c1C,LRDDATWUPONHEZ-UHFFFAOYSA-N
-rxn:2:97355:79723,CCC(Nc1c(N(C)C)cc(C)n(CC)c1=O)c1ccc(N2CCN(CC)CC2)nc1C,WFUOFCHHTWYULM-UHFFFAOYSA-N
-rxn:2:98072:152220,CCN1CCN(c2ccc(CNC(CS(C)(=O)=O)c3cc(C)n(CC)c3C)cn2)CC1,VCBBNLWBDXZUMQ-UHFFFAOYSA-N
-004C0CCE68808EEE_ADE9BC97D04CFAB6_6041_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NCC4CCN([S](C)(=O)=O)CC4,HJTZGVRJZNECRM-UHFFFAOYSA-N
-00B131ABC0386FA7_8210D08FA0D6B71E_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(CC3=CC(=C(F)C=C3)C#N)CC4,CYKKETWDQMRHIE-UHFFFAOYSA-N
-00C998C938CE7412_A131227112777FAD_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCC(=CC3)C4=C5C(=CC=C4)C=CC=C5,VCORLLQWJVEOQA-UHFFFAOYSA-N
-0182691BF3ECBD2A_B956C3CC09C41B4D_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCCC4)C#N)(=O)=O,LMKYYRACYGBHPY-UHFFFAOYSA-N
-01D92F62B1BBC2B5_D9DCC52F4EE5E97D_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,WHKPJYGZFRMRHT-UHFFFAOYSA-N
-0257B94D35A38227_366B05D21D003BEB_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)N5CCC3=C(C4=C([N]3C)C(=C(C=C4)Cl)F)C5,PQRWQVDQOKWWHH-UHFFFAOYSA-N
-02847588883C7317_41CFEF62E98179A4_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[N](C)C(=C3)Cl,FRGYREHJYNHSNX-UHFFFAOYSA-N
-02A637CA0AFB5940_10ED26F91765F72E_6029_UN,N(CC(O)C1=C(C=CC=C1Cl)Cl)[S](C2=CC(=CC=C2)C=C)(=O)=O,HHFDNWGFZFOOIT-UHFFFAOYSA-N
-02B6E3E240A1E4C6_78494619560073E3_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C2(C(N(C)C)=O)CC2)=O,PQCCOMNRRRFJFI-UHFFFAOYSA-N
-02EB1C273DDED8F7_DC7A3EFBE5AAEA24_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC=CC4=C3N=C(C)O4,KMHBEKAYIPHODE-UHFFFAOYSA-N
-032880BA79F27AA3_FE0EC59CC13E6FDA_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=CS2)[N]3C4=CC=CC=C4)(=O)=O,ZSYXHSYPMRLYSG-UHFFFAOYSA-N
-03F0286CF7732734_179CCB3A5156DAE8_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,JOMNREHITNPXPB-HNNXBMFYSA-N
-055590378DB56026_58A47B8EEDD2D7AB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC4=C([N]3C)C=CC(=C4)Br,XEIVRHVDVFHCID-UHFFFAOYSA-N
-05B4BE9A0AAEA03E_DE680E1163CACE70_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,XQWLLHLMDFTIIZ-UHFFFAOYSA-N
-076E6FFCA44DF07B_1433E40918553F32_6003_UN,O(CCCN1C(=O)CCC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,PAKLIHAUHBDFOW-UHFFFAOYSA-N
-08CE761E7FCDC103_93D954E5AE928FCF_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,CQHJWQFBLPQKIZ-UHFFFAOYSA-N
-0B7F5C94CF9C9E4D_EE5ED6D03CE472A2_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)C[C@H]([C@H](OC)C)N,IHLNSUDMKRGDHP-UKRRQHHQSA-N
-0C76A9212922534F_5FB9005690A2AABC_6029_DP,N1CCC(CC1)C(CN[S](C2=C([C@H](C)O)C=CC=C2)(=O)=O)C3=CC=CC=C3,ZMTUECREVRQLHU-DJZRFWRSSA-N
-0C7C78736441F9DB_99904FED2843B530_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,LBNXRAMOGBSMFS-UHFFFAOYSA-N
-0F719299868CFFE5_B6784511076E64DF_7022_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)O[S](=O)(=O)O,TUWIOQRMSOGMCO-UHFFFAOYSA-N
-0FC26956DBB0EF6E_BCF9FEBD83AEF173_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C=CC=C3)CC4,QHMLHLDRZVVLOW-UHFFFAOYSA-N
-10254E7B2CF7BC6E_7F203BBCB715AB2F_6029_UN,N(CC(C1=C(C=C(C=C1)F)Cl)C(F)(F)F)[S](C2=CC(=CC=C2)C=C)(=O)=O,FEZUGSWSURGFCS-UHFFFAOYSA-N
-11A98AAC2A9A6C47_8D2D54132974F839_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,JPLACVWWVMXXIV-UHFFFAOYSA-N
-124DA7B761DA5E76_4CA56DDF4F022E76_6041_UN,COC1=CC2=C(C=C1)C(=CC=N2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,GFLWIEVLHBWENK-UHFFFAOYSA-N
-128B7A10DD0861E1_80E975D75DA2A079_6038_UN,CN(O)C(=O)CNC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O,MQQSNZZCHNCQFK-UHFFFAOYSA-N
-13E54185E3C5C7F3_79F70F33B3207E25_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,QAUJUGFLEHFROT-UHFFFAOYSA-N
-1486D39F8B63092E_F839E7396AE8456A_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,HOEKICYVYGRIFS-UHFFFAOYSA-N
-17E6E8F00AA56E07_8E1CCB5DCF023F61_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=C(C=CC=C4)[S](=O)(=O)N5CCCCC5,DTILIKUVIDHXEH-UHFFFAOYSA-N
-190DAC542EC446A1_9D59B6D298F72ADB_6003_UN,O(C1=CC=C(C=C1)O[S](=O)(=O)O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3,FQWFXHYGWFRDTI-UHFFFAOYSA-N
-195C476015254C4B_136592D64DB6D086_6029_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,DKGUJSRVWWKOBR-JCNLHEQBSA-N
-1988C3161B408C86_F0D6A1A15A65A812_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,GDGGKVJAUPRRHF-UHFFFAOYSA-N
-1A54563AAF40A43D_091F102757649DBB_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCC2=CC=C([S](C(F)F)(=O)=O)C=C2)CC3)C=CC=C4,LXLWWQWQZIGBMK-UHFFFAOYSA-N
-1A705EFBBBD59EEF_182E3F9734BFDC94_6043_UN,C1(=CN=C(C=C1)C2CC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,OZGBSIIHIHZMFZ-UHFFFAOYSA-N
-1B5F3F10C0C97850_5DAA5708D8037F06_6029_DP,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=CN=C4[N]3CCNC4)(=O)=O,RKRBXQMGUPPLPJ-UHFFFAOYSA-N
-1C396A3860BD8E46_FA43AB71C8C71448_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,UIGHJBKLHBQQFM-UHFFFAOYSA-N
-1DB33930F23FB574_F7388D23766253E9_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=C(C(C)(C)[S](=O)(=O)C)C=C4,YBGKRHNPODCJHD-UHFFFAOYSA-N
-1DB5B00BA4A41226_863B0011FCE19BB7_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC=C(C)C=C3)CC4,UTTWMFCLMZNUDK-UHFFFAOYSA-N
-1E0156049C04C4C2_091A8120A2624FEB_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C3=C(C(C)CO)C=CN=C3)(=O)=O,OOHYDSINHSUUSV-UHFFFAOYSA-N
-1E231E5CFBD37E35_FC3CFE89B2AAD511_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)CC4,HCKQTNAKCJCQJO-UHFFFAOYSA-N
-1E9DB2CEC27A9658_5627FCE6812D840B_6041_UN,O=[N](=O)C1=NN=C([NH]1)NC2=C(C=CC(=C2)C)O[Si](C)(C)C(C)(C)C,LSPXWQZRRTWALA-UHFFFAOYSA-N
-1F28635ACEFB19F9_EB20555D5DED2F14_6029_UN,CC(CO)C1CCN(CC1)[S](C2=CC=C(C(O)CF)C=C2)(=O)=O,AGCIJTHEJLGHLC-UHFFFAOYSA-N
-1F9C70B0CE3CE259_0AEF4913EBDF3025_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,DTGWJAOGDVLYFA-UHFFFAOYSA-N
-210D64CF35057C7C_62E833A895A94AD0_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)C)CC)(=O)=O)C4=NC3=C(C=CC=C3)S4,UOYQCUPXSDRXFW-UHFFFAOYSA-N
-2133B070B253DFD3_875F6DE27C233610_6038_UN,N(C1=CC(=C(C=C1)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,ZCBORMWZSRDAOF-UHFFFAOYSA-N
-225BFDAD7AA6DBA3_C23958BEB3A0E1FF_6029_DP,CN5CCC1=C(C4=C([N]1[S](C3=CN=C(C2CNC2)N=C3)(=O)=O)C=CC(=C4)Cl)C5,XTHAIIPSVBJJJW-UHFFFAOYSA-N
-22BE910AE81DA70C_A5A369CF513B6469_6029_UN,N(CC(O)C1=C(C=C(C=C1)F)F)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,NRLBUQBKJLSDFW-UHFFFAOYSA-N
-23EC6B2E9FC9FF68_4D0CBC70C71CE780_6036_UN,CN2CCC1=C(C=CC=C1)C(C2)N([S](=O)(=O)C3=C[NH]C=N3)C5=NC4=C(C=CC=C4)S5,FAJRFCQIUUQDJB-UHFFFAOYSA-N
-2414C0C54CB75558_C2655A1B7C660D06_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCCOC2=CC=C([S](Cl)(=O)=O)C=C2)CC3)C=CC=C4,YBTYULFLLWANFB-UHFFFAOYSA-N
-28AC2D9130C3B2E6_03E3F19646CAA486_6029_UN,C(N1CCN(CC1)[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=CSC=C3,LBWSJCPHWXZGKS-UHFFFAOYSA-N
-291053F549204DBD_2D6045454334FC25_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)NC3=C(C=C4C(=C3)CCC4)[S](=O)(=O)O,NOYJTVCWPYSGHS-UHFFFAOYSA-N
-2919174E30679376_D305CCFEAF65F984_6003_UN,O(CCN1C(=O)CCC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,OIDBBPOJOSKGRC-UHFFFAOYSA-N
-293CA8C2F21BEFD5_B2F926770D50C3F3_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,MRGYAVVEMYXDJS-UHFFFAOYSA-N
-29AEC327148453AF_3DD4679C5B86BB48_7015_UN,C2C[C](=[CH]C1=CC=CC=C1)CC[N]2[S](C3=CC=CC(=C3)CC)(=O)=O,SLVYRZDFLJIIRM-UHFFFAOYSA-N
-2A5172278F9DA5C1_DA6B0CA58E0961DF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(CN3CCC(C)CC3)C=C4,GRZHCBZBZBQXQF-UHFFFAOYSA-N
-2B104914D5269E0E_B0879D338F3E3033_6029_DP,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,HZRTYWOKJUDCQX-UHFFFAOYSA-N
-2C2F78F1EC50BACF_D4B46853F93FC8AB_7015_UN,FC1=CC=C(C=C1)N(C2=NC=CC(=C2)C#N)[S](=O)(=O)C3=CC4=C(C=C3)OCCC4,QZHKXGULYIEADT-UHFFFAOYSA-N
-2E043DE75619E48C_A65D6778F9CF9149_6039_UN,O(C1=CC=C(C=C1)N2CCC2=O)CCCC(NC3=C(C(C)=O)C=CC=C3)=O,SWPMRZSLDILFHR-UHFFFAOYSA-N
-2ECBC076D2F3568A_A5E6A82362BFD2DC_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,HTAUBNHVZJSOGA-UHFFFAOYSA-N
-2FC4034B6670EB62_50E8B12D80D26555_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C=C5)N6CCSCC6)(=O)=O,MYBXSWTVUYJXSC-UHFFFAOYSA-N
-34BF5FDB6F6A504B_9FD9AC07F962BC60_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC=CC(=C3)C[S](C)(=O)=O)=O,OHAULYZJJGIEDV-UHFFFAOYSA-N
-34E8441B0C6DED75_3B53EF34A7D343DA_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)C3=C(C=CC(=C3)C)C4=CC=CC=C4,KYXAGBKWIQJZIY-UHFFFAOYSA-N
-353A36BA20A7E059_0095057DA298746C_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C)C=C3)CC4)Cl,AQQZNXQSKBPNKX-UHFFFAOYSA-N
-37B8ADB5DE16D949_2DAEFDF6FB3EB977_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=CC=CC(=C4)C(C)Cl)(=O)=O,CIKRRLTYFLTOKC-UHFFFAOYSA-N
-3952A8CDE366A8BD_BCC80638CD4920D9_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2Cl)(=O)=O,FYFDPVZKRBHXJF-UHFFFAOYSA-N
-3A3A587A67BDCE5F_01983B05F64EDB07_6029_UN,N(CC(O)(C1=CC=CC=C1)C(F)(F)F)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,WIGLQOGJYVIKCC-UHFFFAOYSA-N
-3A5D718FF639BB99_E9F954936FCC1D56_6029_UN,FC1(CN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O)F,QZBMAHORSRRHBB-UHFFFAOYSA-N
-3BA82A76EA5EBA74_10305AE07070DBFA_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)CC4,APMBPAALYYOPOO-UHFFFAOYSA-N
-3C443406C85042E9_AB873777E9BF1E4C_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2F)(=O)=O,LPAQEVFKOQFOOQ-UHFFFAOYSA-N
-3D73A8640AC3E416_DA229FF301DF685F_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@@H](C)O)F)(=O)=O,CJNGGQCJPDUARY-ICXUMSERSA-N
-3DFE352C8AAEFF61_A37F508041BBF791_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC(=C(N3CCN(C)CC3)C=C4)[N](=O)=O)=O,MUSMFGVJLZBFTL-UHFFFAOYSA-N
-3E36F76692415CBB_3AA624E350F29DAF_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C(CC(C(OCC)=O)=O)=O)C=CC=C2,TUVVFEKHAPLKHX-UHFFFAOYSA-N
-3E8A2B7391585DC6_DB8B7F43E7067677_6039_UN,CC(CCOCC(NC1=C(C(OC)=O)SC=C1)=O)N(C)C,GWVDVZXUJICXLG-UHFFFAOYSA-N
-3E9C189A363C392E_B8AC4327DA72E624_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(CN4CCN(C3=CC=CC(=C3)C)CC4)(C)C,FAJUZYBZWHGURC-UHFFFAOYSA-N
-3ECDBC8A115CAD84_571631874883C807_6036_UN,C1(CN(C1)C2=NC(=CC=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,TZUURVPZPDBDNJ-UHFFFAOYSA-N
-3F32EA3E3A73E66E_CF336BD8025440EE_6029_UN,N(C1CC(C1)(Cl)Cl)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,FPRIFGCEPGXYBC-UHFFFAOYSA-N
-3F39762CDB96DDA8_3E5437FD074AFE20_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)C#N)C4,XWAXPGAKOZSZOU-UHFFFAOYSA-N
-40645A63A7CA2C4B_D11B8D72C1445B1B_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CCC4,ROYIECYNGDMOQW-UHFFFAOYSA-N
-4065A376691DF2C8_A2529F13667B274E_6029_UN,C(C1C4=C(CCN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C=CC=C4)C5=CC=CC=C5,PZPYFIDVYMCDGJ-UHFFFAOYSA-N
-40F871A3D6190A0F_A91C6B7DC2F69AB9_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,KWDURPKJRNNKPS-UHFFFAOYSA-N
-41027CACC291EE7A_AACC3A752D284EB9_6028_UN,N(C1(CC1)C#N)[S](C3=NC=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,DAIKWOVBDYNYSQ-UHFFFAOYSA-N
-42567430782CCB65_ED7B9BDB2F6720E0_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=C(C)C=C2)F)(=O)=O)C3=CC=CC=C3,CJUKUWGKSWDVQZ-UHFFFAOYSA-N
-42FF2B0C2736DDEF_29EF0685B732A8FA_6038_UN,N(C1=C(C(=CC=C1)F)Br)C(C2=N[NH]C(=C2)CCCCC)=O,XINVEUBCIXHSDP-UHFFFAOYSA-N
-43868851D9EC1C2E_8272AE2D63E8F5EB_6034_UN,O=C1CN(CC(=O)N1CCN(C(CCCC)=O)CC)C2=CC=CC=C2,NRXAYRBBYPYZAC-UHFFFAOYSA-N
-448497A95A08BFC5_3D73EF7BE9FF7092_6029_UN,C1N(CCC(C1)OC2=CC=CC=C2)[S](C3=C(CO)C(=C(C(=C3)F)F)F)(=O)=O,GOAWNTSECYYMFD-UHFFFAOYSA-N
-44B8226454471D23_CF1A926E005767AA_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4)Cl,GQOISXOOHXUOHH-UHFFFAOYSA-N
-4509AE4D33D12AFB_11753E5061EAAABD_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(Cl)C=CC=C3)CC4,KTERWAWJSJOAEJ-UHFFFAOYSA-N
-45C9FD5A7E70906F_23F0CD2E2993B7A5_6029_UN,N(CC(O)C1=C(C=CC=C1Cl)Cl)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,UBGSLPMCUFGSQT-UHFFFAOYSA-N
-46772AC4B991CC36_A76CAEBC43194C1C_6038_UN,N(C1=C(C=CC=C1)F)C(C2=N[NH]C(=C2)CCCCC)=O,IIYGUUNZSZPYCG-UHFFFAOYSA-N
-47318208341143B0_097D362321B8F1E0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(OCC)C=C(C=C3)N4CCN(C)CC4,QZGFUTGPNWPDSG-UHFFFAOYSA-N
-47D88B84D1FD034F_37F7D6AB659640C8_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC4=C([N]3C)C=C(C=C4)Br,GVQRRNZLGJUDAP-UHFFFAOYSA-N
-48768C37A454EF8F_A9E1F00E02F7534D_6041_UN,NC(=O)NC1=C(C=CC=C1)N[C@@H](CCC(OC)=O)C(=O)O,MBBYNMORZRAQKU-JTQLQIEISA-N
-4961B66E1F6D119F_87200C9263E48D5C_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)[S](=O)(=O)C5CCCC5,PETCTKXOBBSYSZ-UHFFFAOYSA-N
-4D1737D24D90DE8C_66F70A3E263AB084_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,POQQVZZAVWZHQZ-UHFFFAOYSA-N
-4D92347E33C6B51E_3F6B5727C4B64368_6038_UN,CCCC(=O)C1=C(C=CC(=C1)NC(CCCN2C(CN(C)C2=O)=O)=O)F,UVFSIJLKYQPQON-UHFFFAOYSA-N
-4EB9D52D6DE64BD1_A47EACCE258CBA2D_6028_UN,C(N5CCC1=C(C4=C(N1[S](C2=NC(=C([N]2C3CC3)C)C)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,CWEKUKSZWOXOLX-UHFFFAOYSA-N
-4F782661195CA6FC_8B3F2A46C3069C4D_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,AYGAUILNGBYDQO-UHFFFAOYSA-N
-51077D1750FD1183_913079347CC805E2_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)C=CN3CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,YREOTSLCOCZVFH-UHFFFAOYSA-N
-51B4476BFF1FD437_21765FB0C0BED641_6038_UN,CCOC(=O)C3=C(OC(CN1C(CN(C)C1=O)=O)=O)C2=C(C=CC=C2)C3=O,RHLAUYQBBVMPPD-UHFFFAOYSA-N
-5620233621CE41BB_C6243348FBD29A34_6028_UN,N(C1(CC1)C#N)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,BLMNZOBWDMJHKC-UHFFFAOYSA-N
-5C5269B9496583B9_C7040C7AF7EF3BF7_6031_DP,OCCC(N)C(=O)OCC1=C(OCCOC)C=CC=C1,VAYDUIWQJYPJJQ-UHFFFAOYSA-N
-60218529C173E1C8_5D3DE7E25089F7BF_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,UROAZAGEMQGIOQ-UHFFFAOYSA-N
-610DC5C1EE3F7D1D_CF48B2C1B23D486C_6038_UN,O(CCN1C(=O)CCC1=O)C(C2=C(CC(OCC)=O)N=CC=C2)=O,GZOSAYNYSQUTFM-UHFFFAOYSA-N
-611362A42D12E37D_CC3D3631086AD1D9_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,VTPFFYURLURWQO-UHFFFAOYSA-N
-61220D73518DC9C5_58DB7383D362605C_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,FCBYRNLZARHHJA-UHFFFAOYSA-N
-6277BF46F6EE1C93_80BB8FB836A34D99_7013_UN,CC([N]2C1=CC=CC=C1N=C2C3CC3C)C4=CC=CC=C4,QBUVJCPMCNBINR-UHFFFAOYSA-N
-62F53E91617816CA_17FA9C8A1F08DAB5_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C[N](CC(N2CCN(C)CC2)=O)N=C3,YCPCPIHQOVPKRD-UHFFFAOYSA-N
-64A9CB55F8C2565A_7CE7FFDA291AE361_6035_UN,COC2(CC(OC1=C(C[S](C)(=O)=O)C=CC=C1)C2)C(F)(F)F,FPFGETKZWVRFGW-UHFFFAOYSA-N
-64C55B0FF9D16A9E_2B2409D6BE6891CF_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=N[NH]C(=C3)COC)=O,XYJBTQIYVLKZCD-UHFFFAOYSA-N
-6517C7BFD5EC0F3C_02221EBA46A54E4C_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCC)C)=O,WJSHKULLXBFRNP-UHFFFAOYSA-N
-6565C934EB35EDD4_C95106610AA68758_6029_UN,CC1CCN(CC1)C(CN[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,DZNMXTQUVDLCRD-UHFFFAOYSA-N
-65B8CA0F77EBDF60_0205ED9872E67D03_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCCCC4,UGQXGRGDKIGREO-UHFFFAOYSA-N
-67F03F22254AB79A_321E2217390C5E39_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(OC)=O)C=CC(=N3)OC)(=O)=O,IMZPXHLQFZXUMJ-UHFFFAOYSA-N
-684D8469F31363CC_14BEE7E3804DF247_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4)Cl,ASRVOTAVFOWIJO-UHFFFAOYSA-N
-68FDB2F1B6E6812A_C755FC8398F3A273_6039_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)CC(NC3=C(C(OCC)=O)C=CS3)=O,VBYQMJKMGILUGO-UHFFFAOYSA-N
-6985203C8F1BB2AA_BB7734C60970A7E8_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(C=C(N(C)C)C=C3)C,MZJVFMPNUFMBRK-UHFFFAOYSA-N
-6BD7B39466E51765_3A41234FD8F4FD5B_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2C3=C(OC2)C=C(C=C3)F)C=CC=C4,YVVMYJCITHFDCL-UHFFFAOYSA-N
-6D1C204ABFC0F366_C7B68E0EA778CC00_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,OUUDJPZHBAXWFE-UHFFFAOYSA-N
-6E6AC6AFFA27D76E_433D7DD1A007B359_6027_DP,N1CCC(CC1)C(CN[S](C2=C(CC)C=CC=C2)(=O)=O)C3=CC=CC=C3,RSHBKAZWEMXJHB-UHFFFAOYSA-N
-707A1FBE7E9FEB3E_C398C698CC642CF4_6029_UN,C(N1CCCN(CC1)[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=CC=CC=C3,YNPMGKDVNRHVIP-UHFFFAOYSA-N
-7203EDA505559AC6_44F3D9A50631FF49_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)C[C@H](CC(C)C)N,FPJZCUCFYBIAMS-JTQLQIEISA-N
-726EC855D168F3A2_13063D47A25F8EA9_2201_UN,C[P](=O)(C)C2CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4,BNIZRKSQSORCFS-UHFFFAOYSA-N
-72F9CF4888674772_0C597870DCF4FD35_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NC=C(C2=CC=C(C=C2)Cl)[N]3C4=CC=CC=C4)(=O)=O,SFBBRRXCPYDCCQ-UHFFFAOYSA-N
-739D5A8B30198238_8025C56FAECB4CAC_6029_UN,CC1CN(CCN1CC(C)(C)O)[S](C2=C(CF)C=CC=C2)(=O)=O,LGEGOZJHEVDHML-UHFFFAOYSA-N
-73E1A662A82E7CA2_CF68EC89F415C8B6_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC(C(OC)=O)CF,NBVQLHRPAHUEJI-UHFFFAOYSA-N
-74C8D54AB2F41BE4_E98F2C774DF72E7F_6034_UN,O=[N](=O)C2=C1C(N(C(C1=CC=C2)=O)CCNC(OC)=O)=O,RXPZEPHYORONIH-UHFFFAOYSA-N
-74E4C3DEA6DD1455_35C4ED0884C8A82D_6038_UN,N(C1=CC(=C(C=C1)F)Br)C(C2=N[NH]C(=C2)CCCCC)=O,GELWSEBRZSFDJO-UHFFFAOYSA-N
-75D0D3829E962A96_922C042ED154E223_6029_DP,N(C1(CC1)CC2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,VBFSGEMDUCBPGL-UHFFFAOYSA-N
-75DA3C89C049D908_DE5D15590910941B_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F)N(C)C,BXGNIUMKXJSTGG-ZDUSSCGKSA-N
-788EDF77D15F27CA_27F4B7C48735EE16_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,ALHAMUMZGHQQQZ-UHFFFAOYSA-N
-7A01E0234B5800E8_CE2A139F258B8123_7019_UN,CC3(C)NC(=O)N(CC=CC1=CC(=C([N](=O)=O)C=C1)OC2CC2)C3=O,RPKGATBMHAQZJB-UHFFFAOYSA-N
-7B1DB353EB9805E7_8F0C73F176408CC9_6003_UN,O(CCCN1C(=O)CNC1=O)C2=CC=C(C(CC(C(OC)=O)=O)=O)C=C2,FDICBDMENWWEQT-UHFFFAOYSA-N
-7BECD778EA8F4F44_BD0E68D07A70CE2A_6029_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC=C(C=CCBr)C=C2)(=O)=O,ZDNJTSWBNLSJAS-UHFFFAOYSA-N
-7C332E8F82FB76B5_478E3BE9EA91382D_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NCC4=CC=C(N(C)[S](=O)(=O)C)C=C4,ZPNABVOVMLLEFS-UHFFFAOYSA-N
-7C5A90080B57A9CC_799D84B679FE6C32_6029_DP,N1CCC(CC1)C(CN[S](C2=C(CBr)C=CC=C2)(=O)=O)C3=CC=CC=C3,DJSVJRVVIJDOSA-UHFFFAOYSA-N
-7C9B89669AC6D828_10D71871AFA2204E_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C(C)C3=CSC=C3)CC4)Cl,ZRBGCJVFKWRIFT-UHFFFAOYSA-N
-7CFBD042C733F0F9_C744C8D5DB129550_2201_UN,C[P](=O)(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5,XIWRSEPEAIQVRA-UHFFFAOYSA-N
-7DC83F6FEB70D9C2_E6051B1277D6A3FE_6029_UN,C1C=C(CN1[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,KSQLLCMMRAPERY-UHFFFAOYSA-N
-7E05A2DAB958FBD0_9CFE36DAFF66F87F_6029_UN,CC(CO)C1CCN(CC1)[S](C2=CC=C(C(O)CBr)C=C2)(=O)=O,GFVJIXRONJOLHU-UHFFFAOYSA-N
-80B1E2380214BD87_3296802F30D3BBF0_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,OXOZNOKPZRQKAT-UHFFFAOYSA-N
-80BAEFE2D974D010_EBF5E5C49C2D4008_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCCC4,JJCVKUSITDWMMB-UHFFFAOYSA-N
-812F8EBBF726E87A_6572C90E7E0818B5_6029_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC=C(C=CC)C=C2)(=O)=O,GTNSDNFPNXTVIO-UHFFFAOYSA-N
-819395183DB31F11_5509B9E77D2ADDF8_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,YGHHFTQLTIMFFP-UHFFFAOYSA-N
-824C43D0BA48A4AE_62B1D6B9F5D80A65_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,FKWUSAQWXJDZLU-UHFFFAOYSA-N
-82BFFA33CE8FECCA_C4F4B191587952C6_2201_UN,C[P](=O)(C)C2CCCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4,VVCVGIVWXFHKBU-UHFFFAOYSA-N
-83849C2CB19FB914_CBE48D32F7F4193E_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(C=CCBr)C=C3)(=O)=O,DLZNWOOLHQNIDB-UHFFFAOYSA-N
-84A8B7EBD92C6BF3_1965B99AB96DA8FF_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N5CC([N]3C4=C(N=C3CC)C=CC=C4)CCC5,MIZHWPWWFDPRTD-UHFFFAOYSA-N
-891A22ADD7951330_FA9DEB4299885D73_6029_UN,N(CC(O)C1=CC(=CC=C1)C#N)[S](C2=CC=C(C=C2)C=C)(=O)=O,FDAFMQCLTRGIGT-UHFFFAOYSA-N
-894FC68BB940265E_C0AF9152259C1872_6029_UN,N(CC(O)C1=C(C=CC=C1Cl)Cl)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,WMVHNWZHMZXISR-UHFFFAOYSA-N
-8A4200F02B9EB6EE_D588F15292B20B77_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CC(C(OCC)=O)=C)=O,GGBXIYQWXNMFQB-UHFFFAOYSA-N
-8D2C2DB47BA2AF99_0607F6B6BA6DF1ED_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C(=O)N2CCCCC2)NC4=C(C)N=C3C(=CC=CC3=C4)F,MAKVFAKOQMUDAP-UHFFFAOYSA-N
-8E3DE1E2885E16A8_4DAD9A8A6993FAEF_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,QKTREBVJNABMIM-UHFFFAOYSA-N
-8E9EDCB480018740_D52284A69D0CD281_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,XMWGHARXQVYWND-UHFFFAOYSA-N
-90DB8B2E39045A36_7E210E7044F5AF4A_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,HOXZAACGEZUYJJ-UHFFFAOYSA-N
-9233258B71A112BF_2E32048EFA0B581E_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=C(F)C=CC=C3)(=O)=O,MJYLWRPMCVWQDU-UHFFFAOYSA-N
-929E64C37814077E_8AD26C82FFEB180D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCC3(CCCC3)C4=CC=NC=C4,QGZXOALOTRZYHY-UHFFFAOYSA-N
-935ACCAAC8623257_A16821A66611158F_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(CC)C=C3)[S](=O)(=O)Cl)=O,KDIOPCXVTAYQDG-UHFFFAOYSA-N
-94647002E92E7313_D5B282AA475B6AFD_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N4CCC2=C(C3=C([N]2C)C(=C(C=C3)Cl)F)C4)OC5=CC=CC=C5,CKIIEBLFQMIAQB-UHFFFAOYSA-N
-9734DE05B658D0D9_F76CE15F4AB5AFDA_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC=C(N3CCCN(C(C)=O)CC3)C=C4,CUNCDOOYGPPOOI-UHFFFAOYSA-N
-98C5EF2B57EA36BD_E31B78054702E656_6029_UN,N(C[C@@H](O)C1=CC(=CC=C1)Cl)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,OGDMLIQUUXBFNT-MRXNPFEDSA-N
-9B078FBC51A351BB_21D3B6D9D92B55D3_6028_UN,N(C1=C(C=CC=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,IDNAQEOZABJWOW-UHFFFAOYSA-N
-9C2E713D15050DAF_261BD8929FD1F2F0_7017_UN,N3([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCC(C#N)(CC3)C4=CC=CC=C4,CAQVYXKDMVSGJQ-UHFFFAOYSA-N
-9C4B8A2E05E2D5CE_2F50732692DBE723_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,WELSPTCVJZTODM-UHFFFAOYSA-N
-9E2ECD02E3CB8548_3DE6F5953193030A_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C(C)(C)[S](=O)(=O)C)C=C4,XTMSNZDYIQDRCZ-UHFFFAOYSA-N
-9E335D3B6966A8B9_E7ED82BD852A87E9_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C)(C)CC3=CC=C(C=C3)C#N,OAGQRAYESZBZKD-UHFFFAOYSA-N
-9EBE504F403A32D7_424083233758CA7E_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCC4,DZXWDWVBMCIQLY-UHFFFAOYSA-N
-9EF178309BB4AA4E_F759085D6DC44B99_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4)F,FCAIXGNSJWMLTJ-UHFFFAOYSA-N
-9F4B3204E2993447_7F6380DBE82FA70B_6029_UN,CC1(CCN(CC1)[S](C2=CC=C(SC)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,VCFJWUGRNTYPEX-UHFFFAOYSA-N
-A0E7886BFB6F2F5E_392771EBE8F9AD45_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4=C(C)OCC4)=O,CHHSQFJIPQLFPR-UHFFFAOYSA-N
-A1B380DDD16E5900_D62A7DF0E46B56C8_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,FMUZYKBBDVXMQF-UHFFFAOYSA-N
-A2D68ADC6A710286_AB7BCC8CC09BE7DE_6038_UN,N(C1=C(C=C(C=C1)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,KFCPXQGODWEYBF-UHFFFAOYSA-N
-A5DD60014A417589_7FE1186031B1196B_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)C#N)C4,FKFCETRCSMZUOW-UHFFFAOYSA-N
-A92415B24C7A530E_E89ED0E8CE529DA8_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,NPQFGKGXSCWYED-UHFFFAOYSA-N
-A97D2C70B615C3A4_511EDDED39DA7663_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4)F,VHDBRDRBCKFAKP-UHFFFAOYSA-N
-A999B4A4836FBBEA_0ACB367E4273F76A_6029_UN,OC1(CCN(CC1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,CGPWIPHCOBAFJR-UHFFFAOYSA-N
-AA17BE24ED012B85_629739102FC7CBA9_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CN=C(C=C3)C4(CC4)C#N)(=O)=O)C5=CC=CC=C5,RZLMMJXBDKRLRY-UHFFFAOYSA-N
-AA9AD1CD6D7B27FD_D3632EE7F0236FE0_6029_UN,N(CCC1=CC(=CC=C1)C#N)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,MOLXHZBKWVLVGO-UHFFFAOYSA-N
-ABBB17FE504E6296_0BAEA802BD68F54A_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=C(N3CCN(C(C)=O)CC3)C=CC=C4,MYPUTVMQKDVNEH-UHFFFAOYSA-N
-ABDB695EA3A56777_1BCC27BFD311D709_6026_UN,FC1(F)CC1[N]2C=CC(=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,CLJMTBRAXHFZTE-UHFFFAOYSA-N
-AC07A2BB92FE9A56_01C7BA6395496CFC_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=C(F)C=CC=C3)(=O)=O,VJBFAMDKELNXIR-UHFFFAOYSA-N
-AF8F24F3C155C2EB_6392597B76498D79_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C(OO)=O)C=CC=C2)=O,NPAWGWSIXIKISW-UHFFFAOYSA-N
-B047FC43521CC0E5_3AE42164878E372A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CCN3CCN(C)CC3)C=C4,RXHUMGXBPSXOBJ-UHFFFAOYSA-N
-B0C11277A5596D1F_9E4B71969DA0BD40_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=CC(=C(C)C=C4)[S](=O)(=O)N5CCCCC5,JRVWXGZXIIPWKN-UHFFFAOYSA-N
-B204C0FC7F53C92D_7F88D387DE6B74E0_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=CC=C(C=C4)[S](=O)(=O)N5CCCCCC5,VKPPMDUDLVISFP-UHFFFAOYSA-N
-B3BCFA6AD5A2C1DD_11DDE34037C44B5B_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC2C3=C(OC2)C=CC=C3,VVUATUDEMXHGDL-UHFFFAOYSA-N
-B4B2484303A33FBE_E203342A94636302_6029_UN,N#CC2=C1CCCN(C1=CC=C2)[S](C4=CC=C(OC3=NC=C(C)C=C3)C=C4)(=O)=O,ZOOVDMZGELIDNF-UHFFFAOYSA-N
-B5CDBA517E235A77_C8D3A1F9AE2648B6_6029_UN,N(C[C@@H](O)C1=CC=C(C=C1)Cl)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,SKPPSKKHBSBWPU-MRXNPFEDSA-N
-B6BD23D3994B96A7_90939132ABF0A6E0_6041_UN,CN(C)C1=NC(=NC(=N1)NC2C(C)OC3=C(C=CC=C23)F)N(C)C,DMAAVJNGDCNLRH-UHFFFAOYSA-N
-B754C7DEA30CBF87_11D073EF760F6416_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(Cl)C=CC=C3)CC4,VOTDNOHGGLUZOB-UHFFFAOYSA-N
-B9173E5E348866D3_E47C4268537D032B_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(CC)C=CC(=C3)[S](=O)(=O)Cl)=O,XMIMEDDAHAFXKC-UHFFFAOYSA-N
-BB269257C7CAD763_1742F03C013C7222_2875_UN,CC(C)C1=CC=C(C=C1)[N]2N=NC(=C2)C3(CCO)CC3,DMPOSAVVANEXAA-UHFFFAOYSA-N
-BC94C57A911D9B0F_ED4BF41C6B9D438A_6029_DP,N1CCC(CC1)C(CN[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CC=CC=C4,QMAHGPVCMGSYHV-UHFFFAOYSA-N
-BD0246EC85D0EDE7_F90031984FF7DF17_6029_UN,OC1(CCN(CC1)[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C3=CC=CC=C3,XTIFWTNSOWBTAI-UHFFFAOYSA-N
-BF41ACBF7C680F1A_F274B0DD0577818F_6031_UN,CC1=NN=N[N]1C2=CC(=CC(=C2)F)C(=O)OCC#C[Si](C)(C)C,JNCIAORXEWPIIT-UHFFFAOYSA-N
-C08ACC6FD91DDF46_A571051664546848_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC=CC(=C2)C(C)C(F)F)(=O)=O)C=CC=C3,FXCCLFJZIYQHGJ-UHFFFAOYSA-N
-C12638826F331F28_A5FC42619E38F463_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C(C)OC3=C2C=CC=C3,BMLKIWXXTLHUAG-UHFFFAOYSA-N
-C18F3D44BC1DC012_EC16C1887CD4D8D7_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC2=CC=CC(=C2)OC)=O)=O,GVDFQKYDFVUBMX-NSHDSACASA-N
-C5B2946D714C40E7_7213309A4FCC0ACB_6038_UN,CC(NC(C(C)OCCN(C)C)=O)C1=NNC(=O)N1C,FGHYLFNBBPEGHL-UHFFFAOYSA-N
-C652B1E654795B1F_4E72AFD68CF2641A_6038_UN,CC(OC(C1=C(NNC=C(C(OCC)=O)C(=O)OCC)C=CC=C1)=O)C2=NN=N[N]2C,KRDQFBKPTVHUIU-UHFFFAOYSA-N
-C7F0903F06F539D7_193B65F0CD1BE641_7022_UN,C1(=CN=C(C=C1)N2CCCC2)N([S](=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C#N,RKKWSSSWOFQDCN-UHFFFAOYSA-N
-CA56DDBD425189B1_95E7C83645D4089A_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,FEJDBFQJEZXXJL-UHFFFAOYSA-N
-CAF7BB9B976D6340_087DEB0B5099D6CA_7019_UN,CC(C)N1CCC(CC1)NC(=O)C=CC2=C(CO)C=CC=C2,FCSKQANNQXKUDO-UHFFFAOYSA-N
-CCBAAA52B1D97629_39883C04C3566F96_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,ILHBCAOTRQZOHR-UHFFFAOYSA-N
-CD554046B3D019B0_0ED2B0501FEEBD4E_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=CC=CC=C3,WXUIUDNIKJZOTP-UHFFFAOYSA-N
-CE56E072FD1825EE_2B8E5D88CF4F100C_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)C3=C(C=CC(=C3)C)C4=CC=CC=C4,DKWJTNPVYIHMPS-UHFFFAOYSA-N
-CFCA4584D644468F_D4C5CE422518CEB7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,QBEGBACUZJIODP-UHFFFAOYSA-N
-D042223D98CC75C1_B5CA14D84D7A8E26_7019_UN,CC1CCC(CC1)NC(=O)C=CC2=C(CO)C=CC=C2,GXVXTSAJKAQXQC-UHFFFAOYSA-N
-D231E1F03DC0C8E2_B97B9802E1ADE267_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OCCC2)C(=CC=C3)F,ZYCMRDABSZHVCW-UHFFFAOYSA-N
-D3B8E72FF8D25FDF_6B0F7587F6DF5259_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,YJVKLFHEBHJXBO-UHFFFAOYSA-N
-D48B9D16473026F2_AD93E6127E82C507_6031_UN,O(C(=O)C(=CCCF)F)CC2=CC=C(N1CCN(C(C)=O)CC1)C=C2,HWCQSDMTDUMIEL-UHFFFAOYSA-N
-D6E73F7FB8CFBC9F_D13CA17485BCE8E5_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C3=NC(=NO3)C)N,NHLCWLQNQXWMKV-UHFFFAOYSA-N
-D8809A3CF6509717_6834520D5B0FEBEF_6035_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(CC(C(OCC)=O)=O)=O)C=C2,ZQQSVFQHLUFNEO-UHFFFAOYSA-N
-D915D84CFEDBBAAF_A6913B13219C2493_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC4=C([N]3C)C=CC(=C4)Cl,KCACTYPNZWXQBR-UHFFFAOYSA-N
-D9F83F6CED065D68_46366B80F7000F57_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H]([C@H](CC)C)C(=O)O,QOKKXEFCZUEWER-HZMBPMFUSA-N
-DCAFC2589A621312_DCE74EF3C0AF0DE1_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCC2)F)C(C3=N[NH]C(=C3)C4=C(C=C(C)C=C4)C)=O,LKCQRJLIQWBELK-UHFFFAOYSA-N
-DD245FBEC930BBBC_84DB7A7E14EA138A_6041_DP,CC(C)C1=C(N=C(N=C1)NC2=C(C=CC=C2)[As](=O)(O)O)N3CCNCC3,UHDIUVLHEPXOTF-UHFFFAOYSA-N
-DDA871B33DCE8ED3_6A2B9487D6F93B5D_6004_UN,OC1CN(C1)C2=NC=C(C=C2)C3=CC=C(C(C)O)C=C3,FEDBAAJXWDMJKJ-UHFFFAOYSA-N
-DE5AB35F46EB71EF_1CCF6E770145E99C_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)CC4=CC=CC=C4,VEHFVVPDZXVYNK-UHFFFAOYSA-N
-DF94E47C55C642C3_68E21BB857C15142_6029_UN,CC(C)CN2CCC(CN[S](C1=CC=C(C=CCBr)C=C1)(=O)=O)CC2,AWCNXJWRAGFZLI-UHFFFAOYSA-N
-E189D5D513DC98CE_011138D6773F2D81_6038_UN,N(C1=C(C=C(C=C1)C2=N[NH]C=N2)F)C(CC(CCCCCC)C)=O,OPQBDIJVIKPJKM-UHFFFAOYSA-N
-E253250A146FB419_8FE43C2E2F1C17C2_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=C(C#N)C=NC4=C3C=CC=C4)CC5,USTREDXUBBDIPZ-UHFFFAOYSA-N
-E2C1E980A7E6B341_6CF09B920EE61893_6038_UN,CN(C)C(=O)C(NC(CCCC(N(C)C)=O)=O)C1=CC=CC=C1,NGTFLOURNOOCMJ-UHFFFAOYSA-N
-E3F78D08E73E5AB3_B87E2E070C65473A_7005_UN,[NH]2C1=CC=C(C=C1N=C2C3OC4=C(OC3C)C=CC=C4)C5=CC=CS5,RPGKVZSVDCQMKC-UHFFFAOYSA-N
-E475EB1904BC086D_8071D73D282B3D66_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,FBKOIKVUTHHERN-UHFFFAOYSA-N
-E5050FF99DD8CE26_7B3E9C098F0906E7_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=C(C#N)C=NC4=C3C=CC=C4)CC5,JRHVSHQIIJCXHV-UHFFFAOYSA-N
-E5B539C494BF8D51_31EFC50EBCDAE7C6_6041_UN,OC(=O)C(=CC1=CC=C(C=C1)NCC2CCN([S](C)(=O)=O)CC2)C3=CC=C(C=C3)F,NHWJBBHJEATBOB-UHFFFAOYSA-N
-E69A5DC6E43E8BAA_4EDD1F06221ADF4F_6029_UN,CC1CN(CCN1CC(C)(C)O)[S](C2=C(CCBr)C=CC=C2)(=O)=O,JTEOMGLCKHEVSO-UHFFFAOYSA-N
-E69DD0E3730F5D06_E630FD1BF2C93A0C_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=CC=NC=C4,AJLNQWNPPUXRMF-UHFFFAOYSA-N
-E71060A545397C21_648E9AF9A09384D6_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,QACXVMOIRINFJG-UHFFFAOYSA-N
-EAE33273E78490C0_D05C1698903ACF5F_6029_UN,C1C=C(CN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,LEFPEIOALIJXMM-UHFFFAOYSA-N
-EC1B51E8F7F292C6_CC3879483CFDF0B1_6027_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C)C=C2)(=O)=O)C3=CC=CC=C3,OYWIMIYVTJQSHN-UHFFFAOYSA-N
-EDF1518F83094B78_1864CADD3208D697_6036_UN,CC(CCCBr)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,FGQLUTWMILHCJP-UHFFFAOYSA-N
-EE29F8376AD8A973_195421A9113B07E1_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2CC(C)(C)OC3=C2C=CC=C3,KQFGKVZFWOBSGY-UHFFFAOYSA-N
-EF226E25BAD37331_36BFC5DF5400DDB7_6029_DP,OC1(CN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC(=CC=C4)F,ZPYAAVGPXVJBIN-UHFFFAOYSA-N
-EFCF24BB83459161_FDE99C9FA2B0D893_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C=CC=C3)CC4,SCTFIQNDEUVQNU-UHFFFAOYSA-N
-F1A97063BE954352_4DB5B61E0036B6AF_6029_DP,N1CC(C1)C(N[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O)C4=CC=C(C=C4)F,ADPGEPJGKIFECU-UHFFFAOYSA-N
-F1DAA1B12224F3A3_F7490127FFF84764_6029_UN,N#CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCN3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,ZUYPWXYMQPVBTO-UHFFFAOYSA-N
-F253EBFEAE6C7F58_9266D28A481CEF6A_6028_UN,C1C=C(CN1[S](C2=NC(=CS2)C3=CC=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,AQAZSZYULXEHEZ-UHFFFAOYSA-N
-F27A4C52F4B236C2_B069635D820525EA_6039_UN,CCC(COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)CC(F)(F)F,LCBJOYZNDNRZCK-UHFFFAOYSA-N
-F29747B082FCFBE3_0615541EE2412AC0_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CN=C(C(N(C)C)=O)C=C3)=O,XJIDUQLNKSNAMT-UHFFFAOYSA-N
-F2D682B81EE39F74_9FD9E7A073BB8C95_6006_UN,CN1CCNC2=C1N=CN=C2C3=CC=CC(=C3)C#CC,KTKFCPVTOLQUKC-UHFFFAOYSA-N
-F355814C1878E567_FD4CD120B5551638_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(F)C=CC=C3)CC4,RPUYAPKSHNSRFM-UHFFFAOYSA-N
-F4B6A970CCBBF8E9_FF1EF44ECA8264DD_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C(C)C)C=C3)[S](=O)(=O)Cl)=O,KJDKXPCJFZYZQR-UHFFFAOYSA-N
-F53A1A2266DC4E79_1635401C97E56841_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=C(N=CC=C3)C4(CC4)C#N)(=O)=O)C5=CC=CC=C5,WJKGQKORWDWOKK-QFIPXVFZSA-N
-F7C1306268B4D69E_9A0EB0AB4D580055_6029_UN,C1C=C(CN1[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,BAFPBVUFOUZVQV-UHFFFAOYSA-N
-F7F7946A65AD3C32_08E65EAE12BFC434_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)CC4,SKQZBNFJCCMATL-UHFFFAOYSA-N
-FB03B97F1591F24B_C34972F083745B1A_6029_UN,C[C@H](O)C1CCN(CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,XQGYXJPZBZTOAU-LYKKTTPLSA-N
-FC3139875F33C5D0_F34E6C572934E002_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,DSHBHQWDEAVZFN-UHFFFAOYSA-N
-FCCA5D155614BA24_1DB77A6AEF09AC42_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,SKOHJMZFDOCUHT-UHFFFAOYSA-N
-FDC198AC8A0FBFDC_89070679BCEF3E5F_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,DLHPWYQIHQSNLR-UHFFFAOYSA-N
-FDEB6667F7E2450E_BCD2C3C1F25BB4D6_6038_UN,N(C1=C(C=CC(=C1)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,WLHNTPWCTAKUDY-UHFFFAOYSA-N
-FF559CCDF3541DAE_3AE82DB79036C089_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4)F,SSMFRHNGHQIXED-UHFFFAOYSA-N
-00E5D71AD1A7250A_0D4F5FD9ABCB9206_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)N[C@@H](CC(=O)O)C(=O)O,SUWRKSCBVYPNDX-VIFPVBQESA-N
-02523E52045C17ED_7BAEB33D6C5895E7_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C[N](C(C)C)C=N3)=O,RNJHLKKSIADKBI-OAHLLOKOSA-N
-041F5AF1A05EE47F_4983C4E32C63D987_6029_UN,CC1CN(CC1O)[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O,JGORZOLAUVRKLZ-UHFFFAOYSA-N
-04A1322D6FADBF7A_5063659B36D76D9F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](N(C)C)(=O)=O)C=C4,DGWBBAVQHUJVSN-UHFFFAOYSA-N
-0541A9AFC32C7FBB_CD9BD1361804BC1E_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C)C3=CC=C(C=C3)N4CCCOC4=O,DZGFRGKHSAIOSF-UHFFFAOYSA-N
-0562DF42088DC15D_A738AF6C67735744_6029_UN,FC1=NC=C(C=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,FVQRSOBYINJWJJ-UHFFFAOYSA-N
-069AAD11685571E6_04BC74CB87B3C264_6041_UN,ONC(=O)C1=CC=C(C=C1)NCC2=CC(=CO2)C(=O)O,WEQHASMVHPBEDJ-UHFFFAOYSA-N
-069AAD11685571E6_AA92FAA0E7FE16F3_6041_UN,ONC(=O)C1=CC=C(C=C1)NCC2=CC(=CO2)C(=O)O,WEQHASMVHPBEDJ-UHFFFAOYSA-N
-069AAD11685571E6_D065766BD51DAA78_6041_UN,ONC(=O)C1=CC=C(C=C1)NCC2=CC(=CO2)C(=O)O,WEQHASMVHPBEDJ-UHFFFAOYSA-N
-06D701841C11862B_2FE6EB46A66C2E5D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)C5CC5,LLCCSVOEKQJGQJ-UHFFFAOYSA-N
-0754A263FA09A483_54F7A6DB311E6246_6038_UN,COC1=CC=C(C=C1)C(C)SC(C2=CC=CC(=C2)C3=N[NH]C(=N3)C)=O,JVXHIOZHUJUISF-UHFFFAOYSA-N
-08704510A2E4D7FE_455739ADBF0AC442_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC(CC1=C[N](C)N=C1)CN)C,WDJMFZFVBPJMIV-UHFFFAOYSA-N
-09717226F8109C6E_56A9DFF20A8AB38F_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2=CC(=C(C=C2)C)N3CCC(N(C)C)C3,QJFJRZGKUGZEMO-UHFFFAOYSA-N
-099503C08226DCF9_B5C7D6C6357E54B9_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NCC2CN(C(C)=O)C2)C(=O)O3,UKOXXAGVMQSGBJ-UHFFFAOYSA-N
-0A0CDDE33A462E19_BEC85F67DEFAE05B_6027_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC(=CC(=C3)C)C)(=O)=O,GBSUMGNDNAMTGU-UHFFFAOYSA-N
-0A0CDDE33A462E19_BEC85F67DEFAE05B_7015_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC(=CC(=C3)C)C)(=O)=O,GBSUMGNDNAMTGU-UHFFFAOYSA-N
-0B50C11FC04A5CA8_029825B214AFCC78_7015_UN,OC(=O)C1CN=CN(C1)[S](C3=CC=C([N]2N=C(C)C=C2C)C=C3)(=O)=O,MAJYOXNNUUSPEZ-UHFFFAOYSA-N
-0C721E8313F838B7_A593A8BA4CD4661A_6038_DP,COC(=O)[C@@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)CC(=O)O,DOJDIUNVLBELHF-LURJTMIESA-N
-0D0E6878E8A9D5F2_4CFED2C72EA0C867_6038_UN,CCOC(=O)C=C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC,GXPQIAFEEJSRML-UHFFFAOYSA-N
-0ECA99D4D9EE64E8_A858744B2D69F664_6029_UN,CN(C1=CN=C(N=C1)OC)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O,JIRORAXOSMSNBC-UHFFFAOYSA-N
-12B43D7A8D2AE6C5_E349DCDF92F015FF_7019_UN,C(C=NNC(=O)C1=CC=CC=C1)=CC2=C(C(=C(O)C=C2)O)O,IMZILQCYBAWRQZ-UHFFFAOYSA-N
-14067B061A67E6AB_F4D06CA9C82CB8AF_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CC=CC(=C3O)O,HDJHWCPQSUTOAT-UHFFFAOYSA-N
-144C672FBEFE6AAE_A80C4158E417FEAE_6029_UN,C1CN(CCN1[S](C3=C(C)N=C2[NH]N=CC2=C3)(=O)=O)C4=CC=CS4,HCLOQLAMBNHXIT-UHFFFAOYSA-N
-17CF89C22F6E0A96_C764D91484E1DE13_6038_UN,CCOC(=O)C(=CCNC(C1=CC=C(C(OC)=O)[NH]1)=O)F,WGCZIOXOIGNPIS-UHFFFAOYSA-N
-184E18917D59BD91_B8CA27DC0D3150AA_6041_UN,OC(=O)C2=CC1=C(C=CC(=C1)NC(C)C(=O)NO)OC2=O,OGITYUZIJMANFD-UHFFFAOYSA-N
-19E15ED8079BA6C5_4BDFC23CAA361D5B_6003_UN,CC(=C)[C@@H](OC2=CC1=C(OCC(N1)=O)C=C2C(C)=O)CC(=O)O,WWQULWUFXZORCQ-LBPRGKRZSA-N
-1B4B773536A52AD9_4A78B2C7738FB6A6_6038_DP,N(C1=CN=C(C=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,BHLMXDKCPOGQEF-UHFFFAOYSA-N
-1C41B3E43921E72C_F558ABFCE287C19D_6031_UN,CC1=C[N](N=C1)CC(N)C(=O)OC2=C(OC(C)C2=O)C,JVULUJVQVCNDTF-UHFFFAOYSA-N
-1C609F1E36294785_318F110A83655824_6029_UN,Br[C@@H]1CN(CC1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,ONEWHWXOAMNXKS-LBPRGKRZSA-N
-1E74D45A2CEA5A99_AF953B18EA95CC6F_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CC[S](CC4)(=O)=O,NVBUHBNNWBZOFA-UHFFFAOYSA-N
-1EFD19F7AAA6E375_B7BFFDA8251E4775_6038_DP,OC(=O)CC1=CC(=CC=C1)NC(C2=C(C)N=C(N=C2)N3CCOCC3)=O,OXWQMQPCSDAAJU-UHFFFAOYSA-N
-1F67CC34797651B5_B5722A7576365DE0_6041_UN,ONC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)C(=O)O,LEKUWJXGCTUIFO-UHFFFAOYSA-N
-1F67CC34797651B5_CF85A6BE44D5E16B_6041_UN,ONC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)C(=O)O,LEKUWJXGCTUIFO-UHFFFAOYSA-N
-2007A60412B396C7_450E085DCAF06873_6041_DP,COC(=O)C1=N[NH]C(=C1NC2=C(C(OC)=O)C=C(C=C2)NC)C,LZCUABWFCXJAER-UHFFFAOYSA-N
-213F02C0F55F1FF4_4CC83ACCAA4F7382_6026_UN,CC1=C(C=C(C=C1)C(C)(C)C)[S](=O)(=O)N3CCCN(C2=NC=C(F)C=C2)CC3,PVMJTSHSLASSAZ-UHFFFAOYSA-N
-2140E545AA6B0F80_0EB0AEAA93267D70_7019_UN,C(C(=O)NC2=C1C=CC=CC1=CC=C2)=CC3=CC(=C(O)C=C3)O,UIGLWODWHQAVBK-UHFFFAOYSA-N
-23AB3F73C135109A_8B71ACD4C8A80C53_6028_UN,CC1CN(CCN1[S](C2=CN=N[NH]2)(=O)=O)C3=CC(=C(C=C3)C)C,DSMSOFXLGHDKHA-UHFFFAOYSA-N
-2462F2ECED6EC83F_2E9597991E9540E0_6029_UN,FC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,NIWPJVTYCIDCHD-UHFFFAOYSA-N
-26781C7861FF3357_B634FF1B71C95DD9_6038_DP,N(C1=CC(=CC=C1)OC2=NC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,IQCROGRXLJSLCB-UHFFFAOYSA-N
-27D44FB486F45C87_8FE6F60977013578_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC([C@@H](C)CC(=C)C)=O,HDCGYIGWJXYWEG-SFHVURJKSA-N
-282AEC46B2B03E6A_2112B9112A566DF8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](N(C)C)(=O)=O)C=C4,IXAGYTQXVWIMNB-UHFFFAOYSA-N
-29B012B119420BF2_DF0E991D9FE3C336_6038_DP,OC(=O)CC1=CC(=CC=C1)CNC(C2=C[N](CCC)N=N2)=O,CWKVCYXANUKEKX-UHFFFAOYSA-N
-2AC6B3837E7951AC_524BCC92041DDBD1_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,VXOWWJJGFVFPPW-UHFFFAOYSA-N
-2B1B9630914B9C0E_DF47CAB61B42FA1C_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=C[NH]N=C3C4(C)CC4)(=O)=O,BDNYCXZQSVNZDI-UHFFFAOYSA-N
-2B51BB8071090B77_9C5C9E8867A421E8_6029_UN,OC1=N[N](C(=C1)C2CC2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,SYGBYGATHVFKEM-UHFFFAOYSA-N
-2CDC0F4D8D5264AD_4B10F17D525B88DD_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NC3CCN(CC3C)[S](=O)(=O)C,YLZHMIDDEUUFFN-UHFFFAOYSA-N
-2D61F4869A7CABD2_036D05BB14A8FAEB_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,HVKYDLAHPIZFOX-UHFFFAOYSA-N
-2E1CE6A6A1FABB03_B939D0115A07D5A2_6041_UN,OC(=O)C1=C(C=CC(=C1)C2=NC=CC=C2)NC[C@@H]3OC(OC3)=O,STEVAMDIHFSTIK-NSHDSACASA-N
-2F96FF2B4F76A6B9_4BDB7B4F6CC4D2F1_6041_DP,OC1=CC(=CC(=C1)NC2=CC(=CC=C2)C4=NC3=C(C=CC=C3)O4)C(=O)O,LMHOFWVMWFUKBL-UHFFFAOYSA-N
-2FCA61CF6F3A3149_5BBA24EE93D6CDC2_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=C(C=C3O)O,PECHMXJRIZSITA-UHFFFAOYSA-N
-30879AB85EEE2EFF_C90104E2EA138C56_6038_UN,CCCN1C(C=CC(=C1)NC([C@@H]2N(C)C(CC2)=O)=O)=O,FAKZUOIKZPVZLB-LLVKDONJSA-N
-313A98A7FE3F1D69_A4889B05BAC2C2A4_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C,QNPZXWSBFWAEEA-UHFFFAOYSA-N
-313A98A7FE3F1D69_B2C63182B2C7A924_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C,QNPZXWSBFWAEEA-UHFFFAOYSA-N
-31BF36AF7E428056_B1F01E78F75EB7B0_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=N[NH]C(=C3)C)=O,YLWNANHAOVJNNG-UHFFFAOYSA-N
-32416433701AC21B_B90F068881D431F2_6029_UN,C[N]1N=C(C=C1)C2=C[N](N=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,QBULRHZQHXHXJK-UHFFFAOYSA-N
-32D54D9D840E695E_7B3CC44A6E90971C_6003_UN,O(C(CC(=O)O)C(=O)O)C1=CC=C2C(=C1)CC(OC2=O)=O,PJEAIDHSZOALHM-UHFFFAOYSA-N
-35520C262440ADA3_C1176C25233F6E43_2267_UN,OC(=O)C(CC#CC1=C(C(O)=O)C=N[NH]1)N2C(=O)C=CC2=O,AIJLYQZCYPIJIZ-UHFFFAOYSA-N
-359C772B4F68332F_E50C758532D53B51_6038_DP,OC1=NC(=CC=C1)CNC(C=CC2=CC=C(C)C=C2)=O,ALZUNEHFPATABQ-UHFFFAOYSA-N
-36324C57E85DBC28_0C2A66243AC59A39_6041_UN,OC(=O)C2=C1OCOC1=CC(=C2)NC3=CC(=CC=C3)C=CC(=O)O,QXRMGXNSTGQRQN-UHFFFAOYSA-N
-36742B16ABFA7C3E_2B50C153B48C9B79_6028_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=NN=C(C)C=C3)(=O)=O,CUOHSCXTPSXMQQ-HDJSIYSDSA-N
-36F5967C3BD5180F_E95B83AF7CE0AAB3_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C(O)O)=O,JDVVZBOGSXGIRA-UHFFFAOYSA-N
-38136CDC3CE5BD08_D34E432B5CB89C6E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=CC(=C2)[N](=O)=O)C(N)=O)=O,ICKSLOQTGFLCFM-VIFPVBQESA-N
-385217D8B1E1D86D_B71D194A527A48CF_6029_UN,BrC1=CCCN(C1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,WQQDYMOYAWVUCY-UHFFFAOYSA-N
-38FB5008519C586E_487410E319D3A89C_6038_DP,COC(=O)[C@@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)CC(=O)O,OMUAUGRKQGJEHA-LURJTMIESA-N
-39391F46154A9029_43C9410BA5508031_6038_DP,OC(=O)[C@@H](NC(C1=CN=C(N(C)C)C=N1)=O)CC(=O)O,WLKOBLLDKWLORC-LURJTMIESA-N
-41D1F4E5C145BB79_BBCF03980FB6340C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](C)(=O)=O)C=C4,PUJMXJVVFXYEGO-UHFFFAOYSA-N
-42CD19DDA00A3E03_CD2938428275C14A_6028_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,HZOPETYRLNFMFQ-UHFFFAOYSA-N
-4306FBDFC8D69E56_DD551B7DA9597607_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,PJMVAJQSSCVYQG-UHFFFAOYSA-N
-433F4F09B05A986E_F4929624AF6F10EF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=C(C[S](C)(=O)=O)C=C4)F,NYAJOBJLCCFDLW-UHFFFAOYSA-N
-433F529B80173A63_09B125B309D9E261_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC4=C(O)N=C3C=CC=CC3=C4,OFXARRMDPWOREW-UHFFFAOYSA-N
-43850823813EB32F_C5E4B40036595E1A_6029_UN,COC1=C(C=CC=C1)[C@H](O)CN[S](C2=CC(=CC=C2)C=CI)(=O)=O,KQHZLRCJFRANJW-MRXNPFEDSA-N
-43C514048DEA9F97_691CED7A545FE397_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)CC3=CC=NO3,DRVYKEIRVVGUIZ-UHFFFAOYSA-N
-44810AF855B93587_CD534C274BF258CA_6038_UN,O(C1=C[N](=CC=C1)=O)C(CN(C)CC2=NN=C(C)[N]2C)=O,QGEJWUBTSRAYJZ-UHFFFAOYSA-N
-457EF9531DBCF270_60FFB3C25E8E5394_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC=CC(=C2C)N3CCOC3=O,GLGKFPUPDVZHDT-UHFFFAOYSA-N
-457EF9531DBCF270_69C8420F32568070_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC=CC(=C2C)N3CCOC3=O,GLGKFPUPDVZHDT-UHFFFAOYSA-N
-457EF9531DBCF270_9B4BB1C90FB82F02_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC=CC(=C2C)N3CCOC3=O,GLGKFPUPDVZHDT-UHFFFAOYSA-N
-4799B88F2AA0B40A_FA8A6367EC188ED8_6029_UN,C[N]1C=CC=C1C2CCCN2[S](C3=C[NH]N=C3C4=NC=CS4)(=O)=O,YTHSBKJYJSAMGD-UHFFFAOYSA-N
-47C5823C456B12AA_4D6886C346D40FB5_6038_DP,OC(=O)[C@@H](NC(C(N(C)C)C1=CSC=N1)=O)CC(=O)O,TZCHGPMBNIMKMD-AADKRJSRSA-N
-48D868F2C0685881_1C7C13BD7CDE65D1_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=CC=NC(=N3)C(C)C)=O,FIMRYXFCGSFKMX-UHFFFAOYSA-N
-493B9F7C53587D89_DF5DDA033E920E6F_6035_UN,CC3=C(OC1=CC=CC(=C1)C2=NC(=CS2)C)COC3=O,SBKOVRJQXVXOOL-UHFFFAOYSA-N
-4967557DF4CBB6EC_D57571A7C5303C2F_6029_UN,ClC1=CCCN(C1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,CQTQLTNSDQWMKF-UHFFFAOYSA-N
-4AEDD629B90F2DCC_F42BCEF746BDA6CF_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4[S](C)(=O)=O)F,QOXCNCLTPPLYBX-UHFFFAOYSA-N
-4B61C68DC163A606_2B0AF3D2CA25BB44_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCCOC)C=C2,QDMGZFQWYVSSSL-UHFFFAOYSA-N
-4C72200D81C81CE2_733D4C5501E245B9_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(C)C=C(N=C3)O,HQOUGPFMRFRXNR-UHFFFAOYSA-N
-4C800C9C56268492_BCD3118B03418B2A_6038_UN,COC[C@@H](OC(C[N]1C=C(C(OC)=O)N=N1)=O)C[N]2C=CN=C2[N](=O)=O,TURREWKYWPUJSS-VIFPVBQESA-N
-4D1F933AC2C0CC05_E009FC7602A0DE6E_6009_UN,C(=CC1=CC=CC=C1)C2C(C)C3=C(OC2=O)C(=C(C=C3)O)C,BAWKKHPNBWMOBS-UHFFFAOYSA-N
-4FAECCE55D2197D5_7A839C1CA53089EF_6038_DP,N(C1=CC(=CC=C1)COC2=CC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,WKGNIBNAALWWGY-UHFFFAOYSA-N
-519C794C8ED9CB3E_6D44D1E82E4ED23F_6041_DP,COC1=C(C=CC(=N1)N[C@H](C(OC)=O)CC(=O)O)C(=O)O,WIXMGWDYNSKUNX-ZETCQYMHSA-N
-519C794C8ED9CB3E_D325C6292D8798EB_6041_UN,COC1=C(C=CC(=N1)N[C@H](C(OC)=O)CC(=O)O)C(=O)O,WIXMGWDYNSKUNX-ZETCQYMHSA-N
-531A50CF5513D09D_94AE6FA2CBB06E16_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C(C[S](C)(=O)=O)C=CC=C4,JHJSWYJJVISOOF-UHFFFAOYSA-N
-5462D167487FAFAF_28026EA6D9A4EF1D_6029_UN,C[N]1C=CC=C1C2=N[N](C(=C2)C(=O)O)[S](C3=C[N](N=C3)C4CC4)(=O)=O,QZRSZDJNRLICSM-UHFFFAOYSA-N
-56789AEC0684949F_2B0A82FE5E5D5012_6041_UN,CC1=C(N=C(N=C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4)[S](=O)(=O)C,QWRYFUUZFQAIEO-UHFFFAOYSA-N
-585ADDBF30A5EAD2_8501D51869E79EF0_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OCC)C=C2)Cl,DLHKWSIWWMZIBV-UHFFFAOYSA-N
-59B476C801FDB952_39F294A01F9996C1_6031_UN,CN(C)C1=NC(=CC(=C1)C(=O)OCC2NC(=O)NC2=O)Cl,BUGFYKVLYLGKOB-UHFFFAOYSA-N
-5B6145E0155FE49D_10A3402A7CAA1CE0_6041_UN,ONC(=O)C1=CC(=CC=C1)NCC2=CC=C(O2)C(=O)O,DSKVLMKZWKOAPL-UHFFFAOYSA-N
-5C96A694F8686A9B_8709813B157DD99C_6041_UN,OC(=O)CCC1=C(C=CC(=C1)F)NC[C@@H]2OC(OC2)=O,HNWBEYCVUBJYKD-JTQLQIEISA-N
-5D248115FE1C747D_B4D0B324CD1C6C03_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,BIDADLLZCRVYDT-UHFFFAOYSA-N
-5E45E23B53FAAF71_AFD44D404A2C79D5_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)OC(F)F,HKVXTTOSHWEMDI-UHFFFAOYSA-N
-5ECE3D786886082D_10464581B70E78C0_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,PUNDGDHTABXBLR-UHFFFAOYSA-N
-5F8155E539EFDAB6_A5FFF823123A04FD_6029_UN,C1CN(CCN1[S](C2=C([N](N=C2C)C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VCYUGBZOCYNGAE-UHFFFAOYSA-N
-5F82796964D60FE6_57FD1D736490C479_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4NCCC4,AWTPONWGHRMLTI-UHFFFAOYSA-N
-640C6F5EC9D7A22D_E14F960E045CE540_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,ZVKHKYIAKCAVTI-UHFFFAOYSA-N
-6476C76E762BDDF6_A3435C985586A517_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC[N]1C=C(CN)C=N1)C,ZJUWLVBBWPCZFQ-UHFFFAOYSA-N
-6AE1917ACA01DAF9_6429808DD755C55C_7019_UN,C(C(=O)NCC=CC1=CC=CC=C1)=CC2=CN=C(O)C=C2,NDVSWZMMENFKSG-UHFFFAOYSA-N
-6B9368AB1207FEFE_FD76803D9C0A8129_6041_UN,COC(=O)C1=N[NH]C(=C1NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3)C,KFRADZMJYSRWAN-UHFFFAOYSA-N
-6D1DBEEC56FA9E74_A1EE91F965A3AD68_6029_UN,CC(C)C1=NC(=NC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,SCWQFYIHFLXIAN-UHFFFAOYSA-N
-6FB31B3A5293E80C_26C2DF4D89177EEE_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=CC(=C(C(N(C)C)=O)C=C2)C)C,JEWXEOFXIAFUND-UHFFFAOYSA-N
-6FCE6793B301315D_A8AE4BD4C838026C_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)S4,ADOGVFQLFOQABL-UHFFFAOYSA-N
-705A4542A8CB0B39_6C75D39CEE4F1B71_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(C)C)C=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,ZNHFDICFOJDJHE-UHFFFAOYSA-N
-70B530E80AE4DCB9_C5E1C1CB0ACB6C5B_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=NC(=C(C=C3)O)C,MARWYGONMOMARU-UHFFFAOYSA-N
-71F1C729F02C3153_8E42A1EDC7ADDD7A_7005_UN,N3=C(C1=CC=CC(=C1)C2([S](C)(=O)=O)CC2)[NH]C4=NC=CC=C34,SOTNLYHECCEWAZ-UHFFFAOYSA-N
-72023B45BB835D03_351F751EC69E2B1D_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(OC)C=CC=C3F)(=O)=O,DYYPQOSNSITETO-HOCLYGCPSA-N
-764C30C3E05B69BB_FDB82D8AA66BE3E1_7017_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=C(C=C(CN)C=N2)F)CC3)C,HTUIMTGZMQNGPU-UHFFFAOYSA-N
-766755075D271D7A_81CC6B2CC867826B_6028_UN,CC1=C(C=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=NN=C(C)C=C3)(=O)=O)C,TVDPGUOSASXPKU-LSDHHAIUSA-N
-774E58E756D91B2D_64081ACD8922EAA7_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,PNXZSCRTPKSXNJ-UHFFFAOYSA-N
-77A956CD4BA57F5A_12E5A09E91331C12_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)N4CCC4=O,ZHKKRNNSMODDHM-UHFFFAOYSA-N
-77B86D33B70C0A06_174204FC1F0C7F92_6026_UN,CC1=NC(=CS1)C2=CC(=C(C=C2)C)[S](=O)(=O)N3CCC=C(C3)C4=CC=NC=C4,GHWXHBURODMCCH-UHFFFAOYSA-N
-77D7B8A8EC7BFFE1_6AF405E21D98A742_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=CN=C(O)C=C3,PCNBMVFVIRFHGP-UHFFFAOYSA-N
-78BDAE4CC84CA0CC_69C509099B8ABCAF_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=CN=CC=C3,VRGAXMASLJPGOG-UHFFFAOYSA-N
-7ECEB8E8A2492EC9_0501F54DA6810ED2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC(=C4)C(=O)O)[S](C)(=O)=O,BWOJAUGIPHYAKQ-UHFFFAOYSA-N
-830498D9DBB66808_7A8031295405E07F_6041_UN,CC1=C(N=C(N=C1)NC(C)C2=CC3=C(C=C2)OCCC3)[S](=O)(=O)C,BXYHXAXBYKPUOW-UHFFFAOYSA-N
-849801AD93B4C46A_E2B0AA8FCE613B8B_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C)C=C(N=C3)O,YHDJKGHYJBKNAJ-UHFFFAOYSA-N
-86B83BE57E7427A4_5867677F25BD98BB_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C[N]3C=CC=N3,FPYFDOMZVWRDMK-UHFFFAOYSA-N
-872E0BDF01D89E11_3AAA63124517F745_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC(=CC=C3)N4CCCC4=O,MUJYYZIWKQPTPO-UHFFFAOYSA-N
-876F32A1B22DDDC8_751313138236436F_6029_UN,OC(=O)C1=C[N](C=C1C2=C[N](N=C2)C3=CC=CC=C3)[S](C4=C(C)N=C5CCC[N]45)(=O)=O,JCCKKRCYYUZICY-UHFFFAOYSA-N
-87A67A257C557136_28AA103224CBDB71_6028_UN,BrC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,LDUPZJKLZZVHBZ-UHFFFAOYSA-N
-88472B05DBE3A91F_632D9A12C36BAC41_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NC4CCN([S](C)(=O)=O)CC4,UKPBYBMNHMKGQM-UHFFFAOYSA-N
-89DA042AC59D0382_48BCD40FECCCA303_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC3=C(N=C(N2CCN(C)CC2)C=C3)C,WPXDATFVENCTRR-UHFFFAOYSA-N
-89EA25EA65C0E3B3_C0D66857ED869251_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C[S](C)(=O)=O)C=C4,BPLMKWWRYGBVEW-UHFFFAOYSA-N
-8AA93DF893A14C88_5D1AA758D1706B29_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CN=C(O)C=C3,ICOFNUMRXPHOFD-UHFFFAOYSA-N
-8B05A94388C8BABC_D0C3626B5F1DB39E_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=C(Cl)C=NC=C2)CC3,NXMOKYBYGVCIGE-UHFFFAOYSA-N
-8C692234C2280693_EAF00B2AE0413F9B_6041_DP,OC(=O)C1=CN=C(C=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,MLVCUIRXCCMEKR-UHFFFAOYSA-N
-8CBA91F431D24345_22D058B7E4E0B051_6038_UN,O(C(CF)C[S](=O)(=O)Cl)C(=O)C2=CN1C(=NCC1)C=C2,MVDVMSXELVJZFI-UHFFFAOYSA-N
-8D6B9801538A30C4_73E9DA053FFE1392_6038_DP,CC1=CSC(=N1)C2=CC(=CC=C2)OC(C3=CC=CC(=C3)O)=O,DWDDGBQTUFCHIF-UHFFFAOYSA-N
-8DB8DD4AF1EE6570_2ABB6D498B5DE6C3_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NC=C(Br)C=C2)CC3,VVGVGPOWTPBHOG-UHFFFAOYSA-N
-8F1B290B0D7B78F1_344E304E9A25B8BA_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC2=C(C(=N[N]2C)C)C=C3)C4CC4,SPSHXXXPQMQJII-UHFFFAOYSA-N
-90329F3BDE2ADD4F_B6E097D212B19546_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(=C2)C)[S](=O)(=O)Cl)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FDEZEVHCXQIQAR-UHFFFAOYSA-N
-918A0340CB8586B4_67D8299876849548_6028_UN,CC1=C(C(=CC=C1)C)N2CCN(CC2)[S](C4=NN=C(C3=CC(=CC(=C3)C)C)O4)(=O)=O,DRHLUGYLFRWDCR-UHFFFAOYSA-N
-91FDBA4508F77214_A90F1FCF89E2C99E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=C(OC)C=CC(=C2)F)=O)=O,QICIKIODFDSSBG-VIFPVBQESA-N
-928DD4391762C7A8_7AAE3BC74ACFFE2B_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)C)C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,QSVSAYMWTSHCLP-UHFFFAOYSA-N
-94BD474272A544D6_45154D12B7F1A88C_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(O)C=CN=C3,BRMJBGHCCHOHPM-UHFFFAOYSA-N
-976BCDB5ACE2DCFB_DB9D3F862ECF7997_6029_UN,FC1=C(N=CC=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,PSZOJEFRMIGBJV-UHFFFAOYSA-N
-9942AA2797CE252E_6488F60ED1A2AAC1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC([S](C)(=O)=O)C4=CC=CC=C4,IHIHBTPYNPOXMN-UHFFFAOYSA-N
-9AA65F36A2748969_D9992CAF2761B776_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=C(C=C3)N4CCC4=O,IMYOUYASENZIOT-UHFFFAOYSA-N
-9C210F64CCA29751_E0443E00619E6473_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)OC4=C3C=CC=C4,VTVQLKUTKVZSRV-UHFFFAOYSA-N
-9C24F8ABB9EA25C7_E3F18849C4578617_6041_UN,C2(=C[N]1CC(OC(C1=C2)=O)=O)NC(C)=C(C#N)C(=O)O,AWZJGBQQPYDIPY-UHFFFAOYSA-N
-9C5ED74DAB275C7A_6E68CECD24DD973B_7019_UN,C(C(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,SBJSPWBAURTSHP-UHFFFAOYSA-N
-9D2BDF83B246919D_3E5F8709C5312E0A_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC4=C(O)N=C3C=CC=CC3=C4,ZTXBFOKTDFMPAC-UHFFFAOYSA-N
-9DB64D64FBCBACC3_75B41C34DF81EB78_6041_UN,ONC(=O)C1=CC(=CC=C1)NCC2=CC(=CO2)C(=O)O,GHDNDWRHDWWHHF-UHFFFAOYSA-N
-9EA2962BA818C643_C327C36382CDCDF6_6038_DP,CN(C)C1=CC(=C(C=C1)NC(C2CN(C)C(CN2)=O)=O)C,NJZKTFSOOASYFI-UHFFFAOYSA-N
-9F3AE4AD9B6E0ED4_AFADE0A7C768BFE6_6036_UN,CCC(CCl)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,DZDLLRNLMNRKIU-UHFFFAOYSA-N
-A0B7F67051F51C70_DE8B4A09585D8D86_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=NC=NC=C3,YDJKNPKTCBOMCY-UHFFFAOYSA-N
-A143B7D5E0280F39_4B24B31AB261E51D_6029_UN,CC1=C(C=CN=C1)N2CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,IPKVHYSUKCGHLO-UHFFFAOYSA-N
-A5C1B1461D72FD54_37466BC66398F8D5_2267_UN,OC(=O)C(CC#CC1=C(C(OCC)=O)[NH]N=C1)N2C(=O)C=CC2=O,QCKWYGBHKVXHDF-UHFFFAOYSA-N
-A629E1E813674A4E_C2B7BC8FD2E3D488_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CCC2)C3=CC=NC=C3,ZGBUPOMZEZRYEY-UHFFFAOYSA-N
-A84441880290EF05_B2DBD13317235165_7019_UN,C(C(=O)NC2=C1C=CC=CC1=CC=C2)=CC3=C(C=CC(=C3)O)O,FTDGFZRRSKXYPM-UHFFFAOYSA-N
-A8A4F12739DC3C6B_B539FFFE3D8CA3E9_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=NC(=C(C=C3)O)C,KBRNIFFHBQUQTB-UHFFFAOYSA-N
-AAD43AFE6E69685E_62BE37F1D83639C7_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CCC4=CC=C([S](C)(=O)=O)C=C4,XBNUXKRWCQYDCM-UHFFFAOYSA-N
-AE9D4B1936ED3861_E80D0A3EB6B2B5A3_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3N(C)[S](CC3)(=O)=O,QRSAYLCOFLJQBK-UHFFFAOYSA-N
-AF65B7675F860888_0B4D16DFFD0089C8_6038_DP,OC(=O)[C@@H](NC(=O)C1=C(C=CC2=C1OCO2)F)CC(=O)O,WFBZIMPMEXHLNY-LURJTMIESA-N
-B01EE1350FA13326_90CF593676DEC491_6029_UN,OC1=NC=CC(=C1)N2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)F)(=O)=O,VZQWAEBKZLIOBU-UHFFFAOYSA-N
-B042E019EA6E667E_43FFDE42D5D081FF_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,PCFGHCLAWMXMPG-UHFFFAOYSA-N
-B042E019EA6E667E_56247C42A69387E7_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,PCFGHCLAWMXMPG-UHFFFAOYSA-N
-B0D9D7A3CFC00856_9DDC5E52112F38FE_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,AWLWWTBCOKZQDI-UHFFFAOYSA-N
-B2C9D4CB6EC5347C_490AFE00FD16B440_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCC(=C)C,HYMRUYDGXYQMDF-UHFFFAOYSA-N
-B33961156DCAD652_9F829E693454A237_6029_UN,F[C@@H]1CN(CC1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,PJHJIRCABBHTLU-LBPRGKRZSA-N
-B341D8680A635796_ADB96D31AAFB6ED6_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC3CN([S](C)(=O)=O)CC3,ZJUOUBBAXPRCDE-UHFFFAOYSA-N
-B44BA1BE95CF3D21_E6480A744F690686_6029_UN,ClC1=CN=C(C=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,YGUJERNNUYJNSH-UHFFFAOYSA-N
-B502308EAF53BD6D_FF46B5DF4FBBB541_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,LDWSONVVQIRRKA-UHFFFAOYSA-N
-B556A47F749B67D4_7F094D002AD630CC_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NC=C(Cl)C=C2)CC3,LIGHZHNMRHWZTM-UHFFFAOYSA-N
-B9E9C06866D3B6F0_B2166C65E41F453A_6029_UN,FC1=NC=NC(=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O,NJAFSVMOCZDUFH-UHFFFAOYSA-N
-BB7E2651693C0788_21039B6A4D40BDD7_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NC=C(F)C=C2)CC3,YLGNWKKKZPENDF-UHFFFAOYSA-N
-BCB2CF4E1C27DDD9_E6DC8D4D7AF38307_7019_UN,CNC(=O)C1=CC=C(C=C1)C=CC3=C(O)N=C2C=CC=CC2=C3,JUSYCCGWXFIZNS-UHFFFAOYSA-N
-BDEB19ACDE145B4B_87522A54347F8348_6035_UN,CC(OC1=C(C=CC(=C1)OC)C(=O)C)C2=NN=C(C)O2,RDLXJBAVSGMRGG-UHFFFAOYSA-N
-C114C16C098EB757_CAEE6AD71D13D38D_6038_DP,CC[C@H](C)[C@H](NC(C1=CN=C(C(O)=O)C=N1)=O)CN(C)C,RGKFAXWTBVCRMM-JOYOIKCWSA-N
-C1ACE16E07FD4E30_B1A6783F947B6366_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)[N]4C=CC=N4,MFSQSVQRENOSJT-UHFFFAOYSA-N
-C39A20050E76AF36_C493956BDD7C3E23_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCN(CC2)C3=NC=CN=C3,OLGYUKXWMXKFHP-UHFFFAOYSA-N
-C5D669E1B9BEB520_6330892C2BB07A68_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2F)C#N)C)(=O)=O)C3=NN=CC=N3,SYDHMWWVYOPBFD-UHFFFAOYSA-N
-CA8F449915714489_10EF374B1C65DA85_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC(=C4)C(=O)O)[S](C)(=O)=O,FAVOHWWLGLNKQH-UHFFFAOYSA-N
-CAFFC8ED2FAC93FC_B8A25D180EDA1240_6029_UN,N(N1C(CC1)=O)[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O,UNOIXTMMVPTZRO-UHFFFAOYSA-N
-CC3896197BF83AED_2639B1C96E56985C_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=C(F)C=NC=C2)CC3,UKAUOGGJLZKLNB-UHFFFAOYSA-N
-CDC6017A5A6A41B1_D45AB0BF841D7D58_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2CCOC3=C2C=C(C)C=C3C)[S](=O)(=O)C,LERIHTYDHQVDQK-CQSZACIVSA-N
-CEB2340A0E3B67DE_1F8542B39FDFA547_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CC=C3O,FOBNEGRXZOUWDV-UHFFFAOYSA-N
-D1162F595D8A69AE_9DB4ADA3EFCE6EA5_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CC=CC(=C3O)C,XYFBXGOWGFPBDE-UHFFFAOYSA-N
-D135B8D006B7CE99_266C8E40579BF9C4_6038_DP,N(C1=CC(=CC=C1)C=CC2=NC=CC=C2)C(C3=CC=C(O)C=C3)=O,MJAZJNYCMNYLJK-UHFFFAOYSA-N
-D288B136F68E0F0E_2E4A485BAB773A71_6029_UN,BrC1CCN(CC1)[S](C2=CC=C(C(CC)=C)C=C2)(=O)=O,ZSESVVZRZNIIPV-UHFFFAOYSA-N
-D40BCB73BBC9FFB9_7128E1A5F7462E95_6038_UN,CC(C)[C@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C(=O)N,FVIFCILTOJLBJR-JTQLQIEISA-N
-D7561261AD27E643_F2DBA86050DA8FDD_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)[S](=O)(=O)O,XMHWQSKVILOTNN-UHFFFAOYSA-N
-DA5E6E08595D8107_DAB49F2212487A17_6029_UN,CC1=CC(=C(C=C1)C)N2CCN(CC2)[S](C3=CC(=NN=C3C)C)(=O)=O,AZLZRUCWPBMUNC-UHFFFAOYSA-N
-DD1A4A07DB89AF46_264D4FA2A7E3027F_6038_UN,CCCN1C(C=CC(=C1)NC([C@H]2N(C)C(CC2)=O)=O)=O,FAKZUOIKZPVZLB-NSHDSACASA-N
-DDCA235F823CE56C_A8A3ECADA344F204_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,DRQZILRCYRFIOT-UHFFFAOYSA-N
-DEB8F91C1D504A58_2DB592369877BF59_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=CC(=NN=C3C)C)(=O)=O,CDMXIMSYGNIAAJ-LSDHHAIUSA-N
-DF0FBEAF3DA66942_E15841328E95805F_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=CN=C(O)C=C3,ZAGRVSIEEIEHQX-UHFFFAOYSA-N
-E08B147B1F9F8A2F_D66286670FE10AB9_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NC3C(OC(C)C3)=O,HFQBGYNUQDSTBM-UHFFFAOYSA-N
-E1B1A8F6788B8B16_880C15E3DB41D678_6028_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,IJWJJPQRLFOWCU-UHFFFAOYSA-N
-E1F6C4848DBB3036_F1F39F7631F0A026_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3C(OC(C)C3)=O,ZCWVWUMLOVVFTQ-UHFFFAOYSA-N
-E3BE59E2283BCEB0_93852D982410B9DD_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@@H]4C[C@@H](C[S](C)(=O)=O)C4,FQWSBIZEMAAHSC-JOCQHMNTSA-N
-E3DD362FA4C0EFAA_4FF286CE607CC705_6029_UN,FC(F)C1CCN(CC1)[S](C2=CC=C(CCC)C=C2)(=O)=O,IDRSDCVYHDUISK-UHFFFAOYSA-N
-E4343E91D537B32F_9A3E267D53E0F248_6038_DP,N(C1=CC(=CC=C1)OC2=NC=CC=C2)C(C3=NC=C(C(O)=O)C=C3)=O,DPMBZNKKTWZMPY-UHFFFAOYSA-N
-E57FB2255EC45CFC_039778B974B0806C_6028_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,SBMGPTNPVNBHCV-UHFFFAOYSA-N
-E5BFC450F09FFCBC_716634086B467E96_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC([S](C)(=O)=O)C4=CC=CC=C4,MUDFLBLWYQVOSL-UHFFFAOYSA-N
-E68C796169B501B8_EC3CCBF39B041E87_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4CN([S](C)(=O)=O)C4,VHUFNIFCAHUISE-UHFFFAOYSA-N
-E72D628CB804B6E5_774A06788BAFB671_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H]([C@@H](CC)C)C(=O)O,ODFVTMSGVQLJDM-JTKGGMDMSA-N
-E7991592865A47FD_4E5A6184600B8D21_6029_UN,OC1=NC=CC(=C1)N2CCN(CC2)[S](C3=C(C=C(C(C)C)C=C3)C)(=O)=O,HKRRGBKSVUSJKG-UHFFFAOYSA-N
-E7CADC62B78ABD4F_7114095AA81996B3_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)CC[N]3C=CC=N3,WLCXENONZNRYSO-UHFFFAOYSA-N
-E823FACCC1C3395D_3FF9C242574D2364_6029_DP,OC3CC(N[S](C2=CC=C(C(C1=CC=C(F)C=C1)Cl)C=C2)(=O)=O)C3,DQSAPXIHNFCULA-UHFFFAOYSA-N
-E913B96775E1A372_5A916A8BFCF339E9_6038_DP,OC(=O)[C@@H](NC(C1=C(C(N)=O)N=CC=N1)=O)CC(=O)O,FUFXJJIZDGMELR-BYPYZUCNSA-N
-E974A50CF13871B2_6D492A89097B3F44_6038_UN,COC(=O)C(NC(C2=CC1=C(COB1O)C=C2)=O)C[N]3N=CN=C3,SVWUSJPMABVGHL-UHFFFAOYSA-N
-EB1502062CAF6C39_562327F36673A4A7_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(C)C=C(N(C3=O)C)C,CXQGUVGUAOJWND-UHFFFAOYSA-N
-ED269321A3F80EAB_9724F7E30BD26470_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC=C([S](C)(=O)=O)C=C4,KFFAJRBFGFGZCS-UHFFFAOYSA-N
-EF0AC13C21260601_2E7D70DC519BC9D7_6038_UN,COC(=O)C1(CC1)C(OC(C=C([P](CC)(=O)O)C)=O)C2=NC=C[N]2C,IKFPYNJGRRIAQO-UHFFFAOYSA-N
-EF1CE165C572B900_17093071F46720CD_6029_UN,C[C@@]1([C@@H](C1)C2=CC=CC=C2)N[S](C3=C(OC(F)F)C=CC=C3)(=O)=O,YANVQNBWZAZPAM-SUMWQHHRSA-N
-F00E305204D3327C_314672E0489178B3_7019_UN,COC1=C(C=C(C=C1)C=CC2=C(N=N[N]2C)C3=CC=CC=C3)C,OLGJWUGJCYDUAN-UHFFFAOYSA-N
-F1CDCFCEE84C4C24_9A6F590BAD26509F_6029_UN,FC1=CN=C(C=C1)N2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,PSJAPAXZATXMHV-UHFFFAOYSA-N
-F2345AE0D8FBDC9A_170480F04B753A5C_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)[NH]N=C3)(=O)=O,CUEFUDYHDMTTJL-UHFFFAOYSA-N
-F2E237CDFF9FB2FC_3754F38B9C46FC9D_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N2CCCN(CC2)C3=NN=CC=C3,ZCTMSKHQNCBUGD-UHFFFAOYSA-N
-F36E276FB1126AE3_9DF862EEAF432073_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C[S](C)(=O)=O)C=CC=C4,PZOJEVGZMAFWEW-UHFFFAOYSA-N
-F56663A6CF229416_549E1CF44DA341CC_6028_UN,CC1=CC(=C(C=C1)C)N2CCN(CC2)[S](C4=NN=C(C3=CC(=CC(=C3)C)C)O4)(=O)=O,BVCPYVBETBNWED-UHFFFAOYSA-N
-F8AB92F6B1BABCB8_1940CC094BC10C28_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)N[C@@H](CN(C)C)C(=O)O,BBKBQELFKXJFSO-NSHDSACASA-N
-F9008AD2BF5EE677_D9B1A62709A054DF_6026_UN,CC1=NC(=CS1)C2=CC(=C(C=C2)C)[S](=O)(=O)N3CCC=C(C3)C4=CN=CC=C4,GAAUFTJQZUTWOV-UHFFFAOYSA-N
-FAC06ABB1083378D_53E350F0EC6E535F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@H]4C[C@@H](C[S](C)(=O)=O)C4,FQWSBIZEMAAHSC-BETUJISGSA-N
-FC2A93D761C032CA_EED112338166C069_6041_DP,OC1=CC(=CC(=C1)NC2=CC=C(C=C2)C3=NNC(=O)CO3)C(=O)O,LIBKPZBZEWIBNP-UHFFFAOYSA-N
-FCDDDB5905025F27_AE21C19EB552E05B_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](C)(=O)=O)C=C4,FZFJWUFOGLGHKQ-UHFFFAOYSA-N
-FE6DB9F9F6AE7EE4_5F15ECFEED47A574_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3C2=CC=CC(=C2OCC3)C,HUDIEBZICBJWLC-UHFFFAOYSA-N
-FE6FD8D547BFE1D8_898F954DDF538C48_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CN=C3,IAZHQMUPITWLIS-UHFFFAOYSA-N
-FEC5505C9453CD1C_337EC7EF41A6F313_6041_UN,OC(=O)C(SC1=CC=CS1)C2=CC(=CC=C2)NC3=CCOC3=O,FDTNVXGLXWRMOU-UHFFFAOYSA-N
-rxn:2:92457:149518,CC(NCCN1CCn2nc(C(C)(C)C)cc2C1)c1ccc(N2CCS(=O)(=O)CC2)cc1,VUNZRBIGPHUQRW-UHFFFAOYSA-N
-rxn:2:93097:162580,CCC(NC(C)c1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,WECJYPRIUIRTAX-UHFFFAOYSA-N
-00CB529A886AD001_930514AAD2FEF0F6_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC(=C2)C3=CN=NC=C3)(=O)=O)C4=NC=CC=N4,MBNACRMQMUAINT-UHFFFAOYSA-N
-018D1F938491F5DD_887CAD98A3C71DE4_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C=C(N(C)C)C=C3C)C,ROGGVKZPCWKWHQ-UHFFFAOYSA-N
-0190075DA05EDDC5_459BA0732DCBE8D5_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)C[S](C)(=O)=O,IRMFYQIURKDWRC-UHFFFAOYSA-N
-0353A383E29C6EA6_C5A8A6CC61D2DDE7_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC(=C4)C#N,GFWMRCAVJHRHOW-UHFFFAOYSA-N
-03A092CCF172D74E_A402102ABBB9D1EA_6038_UN,N(C(CC1=NN=C[NH]1)C2=CC=CC=C2)C(C4=CC3=C(COB3O)C=C4)=O,SCTQQAHCCWLURR-UHFFFAOYSA-N
-03F5C8188CF38C79_23C728647FA30448_6038_UN,CN(C)C1=NC(=C(C=N1)NC(C3(C2=CC=C(N(C)C)C=C2)CC3)=O)N,CUXICWTXDIMFMQ-UHFFFAOYSA-N
-040D8895436EF18A_F0DCA59D1F531144_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C(=C2)F)C#N)(=O)=O)C3=NN=CC=C3,JHYRIWTZHXNCTQ-UHFFFAOYSA-N
-050E9186B10ABE99_6CD7099F4E4A8CE3_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=CN=C(N2CCCN(C)CC2)C=C3,VQTADJWLQWXINO-UHFFFAOYSA-N
-08067EF24A076561_F8B712DA69846F67_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)C=CC=C4,RDVQJCNCSNTNJA-SFHVURJKSA-N
-09D02E0E3E9CC93A_BFB027C4947F5B48_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,XVIOFYCGKRVDNE-UHFFFAOYSA-N
-0A60BE05A389B76B_1975E7572ED8D651_6038_UN,C[N]1N=C(C=C1)[C@H]2[C@@H](C2)NC(C4=C(C3=NN=C[N]3C)C=CC=C4)=O,JSCXKVODNQJDLA-DZGCQCFKSA-N
-0A69F4CF25828AC4_3D552041A5CFD5ED_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCCC3C[S](C3)(=O)=O,JYJKTZYTFLKKBS-UHFFFAOYSA-N
-0B64DE1A974FC609_1B461FE127066753_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,UXEHLWGAIVGTFI-UHFFFAOYSA-N
-0B844AAF4D5682DC_0F431278D68F2972_6038_UN,CN(C)C1=C(C(=CC=C1)NC(=O)C3=C2C=C[N](C2=NC=N3)C4CC4)C,LPIUAKDJRAZCRO-UHFFFAOYSA-N
-0BC68630B29EEE19_16DD52B3D9480BDE_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]2COC3=C(N(C)C2=O)C=CC=C3)N(C)C,CYYCEISMRHPHON-LBPRGKRZSA-N
-0C34C7493169E4F4_B07237F5CE2C45BD_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3CN([S](C)(=O)=O)C3)F,VKSFZNZIISDRPU-UHFFFAOYSA-N
-0EA3EB68F1D2F2ED_3CE68273C139FF18_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,IGYHVFQWMQPBPA-UHFFFAOYSA-N
-0F89BF9A37CC1697_D76F171A67E782D9_6038_UN,CC1=NC(=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,WDAGBHFKFVVKAE-UHFFFAOYSA-N
-1240AEFBB4DC8E94_31A314100A03CDBF_6039_UN,CC2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C(=O)CO2,FHVHJJQBCUVQEH-UHFFFAOYSA-N
-12B9F6F4BACDA30C_51D76896076652C1_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,QHOBESGLGQSGES-CQSZACIVSA-N
-12D124A442557C48_04C79430AFF6AEE8_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,FOROFCKYSCQWFH-UHFFFAOYSA-N
-13143AA600C52225_1AEB8488E0885A47_6029_UN,N(C1C(C(C1)O)[N]2N=CC=C2)[S](C3=CC(=CN=C3)[N]4C=CC=N4)(=O)=O,IVDNKWYPQJDIGF-UHFFFAOYSA-N
-145905B6AC4C370E_A6E71D7D8471B76C_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,YZVLAKYESYAXFC-UHFFFAOYSA-N
-1601B3CDACF62569_CEDD22849DC6167E_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)F,KFMQNCDUJYYTKH-UHFFFAOYSA-N
-16C8B7C978DC4C5C_7D92640971E81C32_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)=O)C=CC=C4,PQSMCAKTOFVLEF-UHFFFAOYSA-N
-172408C48A314637_AE2B94B9B1BFF36D_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2)F)(=O)=O)C3=CC=CC=C3,PWRLXMHOMAXCTJ-UHFFFAOYSA-N
-17802C39DF093380_91EBA27CF3D44F51_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCCC3(C[S](C)(=O)=O)CC3,ZUIBGCFHRPGYIQ-UHFFFAOYSA-N
-1818DB5C9F9B913F_78ECA479C9929F20_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=CN=CC(=C3C)C#C)(=O)=O,NBYOKBAWBNVMLM-UHFFFAOYSA-N
-1864C8D20B8CDE09_D7D253C817BACBAC_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC(=C([S](CC)(=O)=O)C=C4)F,BEKBDOSYQLSDJP-UHFFFAOYSA-N
-18E9D44ECB0EA3B4_CB833D941C30819C_6028_UN,C1CN(CCN1[S](C2=NN=C([N]2C)C3=C(C=CC=C3)Cl)(=O)=O)C5=C4C=CSC4=CC=N5,RFMJVRDZSXLNGS-UHFFFAOYSA-N
-190511D7281C1408_83CF850F74CD1734_6038_UN,COC(=O)C1=CN=C(CCNC(C(CC(OCC)=O)(C)C)=O)S1,XCQLXQMNKVEXSQ-UHFFFAOYSA-N
-19AAE3DBEAB56E03_5C721CAE4CAAC74C_6041_UN,OC(=O)CC1=COC(=N1)C2=CC=C(C=C2)NC3=CCOC3=O,PBAODYVKLAZYFV-UHFFFAOYSA-N
-1A865A1CD5B8547C_7856DB5C3D243A6D_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(=O)C(CC2=CC=CC=C2)[N]3C=NN=N3,QMIYJIPYZIUSDI-UHFFFAOYSA-N
-1AC5F5F710953D45_3A4A9764C515CE5C_6038_UN,CC(C)C2=NN=C(COC(C1(C(N(C)C)=O)CC1)=O)[NH]2,AYAUFDYRIMCBEI-UHFFFAOYSA-N
-1B569F73ECB4E43C_AC7CF631514488BA_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=NN=CC=C3,UGPXYFPMZIEHFG-UHFFFAOYSA-N
-1C49341587E7F33F_0DCB31B482D81EAA_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2C=CS3)(=O)=O)C4=NC=CC=N4,KKMSJSVLLDQMDG-UHFFFAOYSA-N
-1E9C09D8C830FF08_DD096C3178E61B20_6029_UN,C2=CC1=C(C=NC=C1)[N]2[S](C3=NC(=CS3)C4CC4)(=O)=O,ALEYHQYHTFCLBE-UHFFFAOYSA-N
-2174214CD347BA90_B1D11C50BBAF90C7_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2CCOC3=C2C=C(C)C=C3C)C4CC4,GUNYFZQZMVZYJV-HNNXBMFYSA-N
-23807F77BC3AC594_0FED8D97478D4B2E_6029_UN,C3=CC1=C(C=C(C=C1)C2=CSC=C2)[N]3[S](C4=NC(=N[NH]4)C5CC5)(=O)=O,DKDCOKQPXWBGSR-UHFFFAOYSA-N
-23DCD45322837602_4F295388E09B36F0_6038_UN,CC(C)C1=NC(=N[NH]1)C2=CC(=CC=C2)OC(C4=CC3=C(COB3O)C=C4)=O,XVNCYIKUOKWQDM-UHFFFAOYSA-N
-24353595015E2F11_0D928222429EDFCF_6041_UN,CN(C)C1=NC(=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)N(C)C,FVIJWAQUBDKACL-ZDUSSCGKSA-N
-244F210293DE616F_F291B46E2CF83566_6029_UN,C1CC(=CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C=C3)(=O)=O)C4=NC=CS4,ORWZSMRGKSYPFW-UHFFFAOYSA-N
-25457287F0DE9063_A194C92D3729036E_6038_UN,CN(C)[C@H]1[C@@H](CC1)NC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,AIFBUHGWONZWGX-ZIAGYGMSSA-N
-270A386BC7A5FBCE_69B1B4CE9FD0A145_6029_UN,N(CCC1=CN=C(C=C1)Cl)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,KSPNJGSUCVZLKZ-UHFFFAOYSA-N
-272F70B367115669_FBCE4F22FDDAADAC_6028_UN,C1C(CN1[S](C2=CC(=CS2)C)(=O)=O)OC3=NC=CC=N3,VONRSZJWXWVCPJ-UHFFFAOYSA-N
-27B5B484A0EDE89E_5AF3C4916081406B_6038_DP,N2C[C@H](NC(C=CC1=C(C=CC(=C1)OC)OC)=O)CO2,PSNVAZRZTDDVAX-NSHDSACASA-N
-287B39CF1942C548_719F62F598E10A6C_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=NN=CC=C3,PWYXYWCCGPXMPE-UHFFFAOYSA-N
-2947E84BB1D67D61_59108BE4986C896E_6028_UN,C1CN(CCN1[S](C2=NN=N[N]2C3=CC=C(C)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,LSZHJMQMTQKGMZ-UHFFFAOYSA-N
-2A41572FDF6E2D89_3F1A1D0A4DD72C4E_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3,RVYNBNWCMXKVBO-UHFFFAOYSA-N
-2A8A6279A8293F21_C694963AE0DA20C6_6041_UN,CC1=C(C(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,YUFIPTOZGLGRFD-LBPRGKRZSA-N
-2A95EA713D02E278_68315542F84A068B_6038_UN,N(C(C[N]1C=NC=N1)C2=CC=CC=C2)C(C4=CC3=C(COB3O)C=C4)=O,IZZQMVPRHDBAMF-UHFFFAOYSA-N
-2A9B8585A4C474DA_964EB1DDBF2F7F3D_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3CN([S](C)(=O)=O)CC3)F,JTIGQUPRARGYJY-UHFFFAOYSA-N
-2A9F899D73FB79D0_0428F9CE43D5D4F7_6038_UN,CC1=NC(=C(C=C1)OC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,AQSMWRISDMWQHA-UHFFFAOYSA-N
-2CE2CFE9A94A76DA_D0F80D16078AA296_6029_UN,C1C=C(CN1[S](C2=C(C)C=CC(=C2)I)(=O)=O)C3=CC=CC=C3,QZHYDAWKHIQRCM-UHFFFAOYSA-N
-2DB6D2ADFCAC86C7_692A237749FB670A_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,RUNCAPYPTBDXOM-UHFFFAOYSA-N
-2E44B080631A989C_EB96E2E8438AEE82_6028_UN,C1CN(CCN1[S](C3=NC2=C(C(=CC=C2)Br)S3)(=O)=O)C4=NC=CC=N4,IVZGURDASVVGJU-UHFFFAOYSA-N
-2F336DDB98974845_AD77702522285C3C_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC3CCN([S](C)(=O)=O)CC3,YDEBEHNWXZXTDU-UHFFFAOYSA-N
-2FC04EEA76742A7A_106E13AE59B6DBA2_6038_UN,CC1=NN=N[N]1C2=C(C=CC(=C2)NC(C3N=CN(C)C3)=O)C,HADLZGBVITXJLA-UHFFFAOYSA-N
-2FFD72D85CE7B750_FB59810FEBBB03F2_6041_UN,CN(CC1=CC(=CC=C1)NC3=C(C[S](C)(=O)=O)C=C2OCCOC2=C3)C4CC4,WLQPJQIKUOTPBU-UHFFFAOYSA-N
-31B67F89B5CD1C40_642FD5D17D2D7D16_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)OC(F)F)(=O)=O)C3=NC=CC=N3,GQMHKXOVHMZRJV-UHFFFAOYSA-N
-328C914D51D9CC9F_302BB1F3823FADEA_6038_UN,CC(C)C1=NOC(=N1)COC(CC2OB(O)C3=C2C=CC=C3)=O,SKDAMUJEHKTNHL-UHFFFAOYSA-N
-32E6A2D4E8629FD2_F8CA047A6CE5EE53_6029_UN,OC1(CN(C1)[S](C2=C(CC(C)C)N=CC=C2)(=O)=O)C3=CN=CC=C3,SWTRXECWWVDINF-UHFFFAOYSA-N
-33870CA169B60857_654FFD8FB8FCCBCA_6026_UN,FC(F)(F)[N]1C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,SOZUEVNQDYQDEF-UHFFFAOYSA-N
-34D94ED007B4756C_239E24AE342CE90F_6041_UN,OC(=O)CC1=C(N=CC=C1)NC3=C2COC(C2=CC=C3)=O,BAMLKRMGQFKVNX-UHFFFAOYSA-N
-362B7EC08AEC146C_FFC47C69728FDC9B_6028_UN,C1C=C(CN1[S](C2=C(OC)C=C(C(=C2)F)F)(=O)=O)C3=CC=CC=C3,TUFLGGURZVXIIK-UHFFFAOYSA-N
-37936E617AF2D1CB_89C2BCA426D796F9_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)=O)C=CC=C4C,VLDHNARXSIIFJH-UHFFFAOYSA-N
-37BEF61B4F941C95_770858A342E5EB89_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)C=CC=C4,HMDXGBRTCCQMJD-KRWDZBQOSA-N
-37F5703E66862DC8_A5D7D313D99DACA4_6029_UN,C1CN(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,VMMLNQZWMCTHEX-UHFFFAOYSA-N
-37F5703E66862DC8_D628C88DF38380B1_6028_UN,C1CN(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,VMMLNQZWMCTHEX-UHFFFAOYSA-N
-38916005EF88FB22_97DD3538BE2C3178_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=NC=CC=N3,ZCVSHOSFJKQUOM-UHFFFAOYSA-N
-38E946149B3687A0_B39E225E634F1FFE_6029_UN,C1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C5=C4C=CSC4=NC=N5,PHPMVSSXQOEVJE-UHFFFAOYSA-N
-3A9F9026C94A63E6_5CE8A33B0DB56F1A_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC(CC(C)C)C(=O)N(C)C,IECJEQWHEXNWBS-UHFFFAOYSA-N
-3C53F92D7454B3E9_6B5DD6B38AE6866D_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)CC3=NC=CN=C3,HIVSWNHTTXLBGN-UHFFFAOYSA-N
-3C741A19936B2B5D_156FFC169118D5F8_6041_UN,FC1=C(C2=C(C=C1)C(=NC=N2)NCC3CN([S](C)(=O)=O)C3)F,SVOQWIRGBVDMGG-UHFFFAOYSA-N
-3C85A7AC5D05A892_08177573CECD418B_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3C2=CC=CC(=C2OCCC3)OC,UYLZBMWEYYMOHM-UHFFFAOYSA-N
-3EDACDAA07DDB155_4B0DCD8207819AE3_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C(N(C)C)=O)C=C4)C,MHDQYMPTNHSPNG-UHFFFAOYSA-N
-40D2F88E3155191F_E0F8CC6BEDBDC445_6038_UN,C[N]1C(=CC=N1)C(=O)CNC(C3ON=C(C2=C[N](C)N=C2)C3)=O,BXHKKUPJIMFZPB-UHFFFAOYSA-N
-4182CE7AF79705ED_69748826693D4141_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,ZQPFDKPZIHWYPY-UHFFFAOYSA-N
-420B0B3772B89578_D2CE583AEF52A130_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](N(C)C)(=O)=O)C=C4)C,YVLIKLIXFJWBDS-UHFFFAOYSA-N
-433E5D7357C9D627_19966769027EFF00_6038_UN,CC2(CCOC(C1=CC=C(CC(N(C)C)=O)C=C1)=O)N=N2,QXEFEWWHCRJTLU-UHFFFAOYSA-N
-43F971A5ABDF16B2_794579DCE80FFDE8_6041_UN,CC1=NC(=NC(=C1)N[C@H]2CCOC3=C2C=C(C)C=C3C)[S](=O)(=O)C,LERIHTYDHQVDQK-AWEZNQCLSA-N
-4561136AEE9F7958_794BD36BC27C470F_6038_UN,N(CCN1C(C=CC1=O)=O)C(C2=CN=C(C(N(C)C)=O)C=C2)=O,SEINBSUNJVVSQJ-UHFFFAOYSA-N
-45BB2C49513A261C_F0043BF637D21150_6029_UN,FC1(CN(C1)[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=CN=CC=C4,UGMXWSKNEFJHQJ-UHFFFAOYSA-N
-45EE5FA6C28D0937_71E6D8CB33C63EF0_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,GKCWIDPXAAYABI-UHFFFAOYSA-N
-4797A3E3B5BC2DBB_EF949F1F7AAE7E25_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=NC=CC=N3,JSWUCIWFISITPC-UHFFFAOYSA-N
-483F72DF135FAB67_95EA0625431BAE1D_6038_UN,CN(C)C1=CC(=C(C=C1)NC(=O)C3=C2C=C[N](C2=NC=N3)C4CC4)C,LBCUZEOKXASEDW-UHFFFAOYSA-N
-4A16F4650E7AABF3_37CE3905BBB458E9_6029_UN,OC1(CN(C1)[S](C2=CN=C(CC(C)C)C=C2)(=O)=O)C3=NC=CC=C3,VFKXYKFMQJNTLF-UHFFFAOYSA-N
-4A4FB4211CA0DEB2_08F5143455B094AE_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(C(C)=O)C=CC=C2,QOBILDMZGXWLQO-UHFFFAOYSA-N
-4B86378B5939F6D3_20E27AA33B337DE4_6028_UN,N(CCC1=CN=C(C=C1)Cl)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,JDYATURNLWUBLH-UHFFFAOYSA-N
-4BE27AEFD41B61CF_F7934E644F0BE27E_6038_UN,CC(C)C[N]1N=CN=C1COC(C3=CC2=C(COB2O)C=C3)=O,PBKNFQCXKDDHIB-UHFFFAOYSA-N
-4D739B656E7F62DC_D73A748E9A75C7B2_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)C(N(C)C)=O,ZRUSYEASZFWRIZ-UHFFFAOYSA-N
-4E2BC013654D3ED1_D60F74FEB56AA499_6038_UN,O(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,YDFHVMXIHSNNCG-UHFFFAOYSA-N
-4EDD022C9842360A_483DB3CCD093C11E_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=NN=C(N(C)C)C=C3)=O,BKMBXQBDAHVSGD-AWEZNQCLSA-N
-53035CCC7973F627_B0383F08756CB0F1_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3C2=CC=CC(=C2OCCC3)OC,QGRBCKFLGYSRIN-UHFFFAOYSA-N
-533F8D72A7D8A570_69489714AA76F97A_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(C)(C)[N]3N=CC=C3,CUQMHZWYWSNXCE-UHFFFAOYSA-N
-553325F541564AF4_344783341783771D_7019_UN,O=[N](=O)C1=N[N](C=C1)CC=CC3=C(C=C([N]2C=CN=C2C)C=C3)C,SJTHCNWUYVNELH-UHFFFAOYSA-N
-56A027CC658BE143_36202610288BDB33_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC(=C(C=C4)N5[S](CCC5)(=O)=O)F,LFLWKAZKNZMPSB-UHFFFAOYSA-N
-5758C646262AD37E_CBA46534DE235C4E_6029_UN,OC1(CCN(CC1)[S](C2=NC=C(C#CC)C=C2)(=O)=O)C3=CC=CC=C3,CDUDTRXYUAUPRU-UHFFFAOYSA-N
-577F23F83A749FBE_E7D3B8E5787A8421_6038_UN,CC(C)OC1=NN=C(C=C1)COC(C3=CC2=C(COB2O)C=C3)=O,HUPOGZYKBISCKD-UHFFFAOYSA-N
-57A9E16FDE072BEB_A638E6A49CD74E1C_6038_UN,CC(C)CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=CC=C3,JMBHQQFSAKMLDH-UHFFFAOYSA-N
-58E4882288CE64C8_94D68905B8D4FB3A_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C4=C3C=CC=N[N]3C=C4)(=O)=O,LUEATSOOQDZRQF-UHFFFAOYSA-N
-5933DDEC72DD60C2_BF7F42F50E878B05_6041_UN,CC2=C1N=CN=C(C1=CC=C2)N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3,OHXVJVRKGIFPDL-HAQNSBGRSA-N
-59E3549CA034C48D_30D347364D5F94ED_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C([S](C)=O)C=CC=C4C,GLFCRWVGVFKFTA-UHFFFAOYSA-N
-5A8657EDECF3C258_483D971C6C910362_6029_UN,C1CN(CCN1[S](C3=C2C=CC(=CC2=CC(=N3)C)Cl)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,LELVMJKNTVGDFV-UHFFFAOYSA-N
-5BA98E3E3CC53181_8D9AB745C67EEA74_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC4C3=CC=CC(=C3OCC4)CC,QOBXXNJOGNZEFH-UHFFFAOYSA-N
-5D64960AC8EC5B50_BD34C31EA09E78B8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](C)=O,HKCQWUPKTRBGDI-UHFFFAOYSA-N
-5D9574821F933F98_2014BB15A70645D4_6038_UN,CC1=C(C(=CC=N1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,YKORDXILGTVTLP-UHFFFAOYSA-N
-5F691BCA896A6081_961D5D6D67C3B942_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C3(C(N(C)CC3)=O)C)=O,BVHDUCNUTGTZAC-UHFFFAOYSA-N
-5FE70E75296672FF_238F37DBB6D235F9_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C3(CN(C)C(CC3)=O)C)=O,PXVMGMNRDKYTQA-UHFFFAOYSA-N
-60D20F58190239B7_56BB280B2D5EE77C_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)OC,CRPRRXUTCFMEHH-UHFFFAOYSA-N
-645DE34A9C1FF6A6_55BFB26B5FFDE5A0_6041_UN,C[S](=O)(=O)C1=C(C=CC=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,AAIGTCFDRFKLJN-OAHLLOKOSA-N
-64AC19519627143B_9992A16ABA9E04E4_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=N2)C(C3N=CN(C)C3)=O,HTDKYMGMFHYREZ-UHFFFAOYSA-N
-66C194CCED128348_A54D03DD6D5CE72A_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3(C[S](C)(=O)=O)CCC3,LQSAABOYJRWNGR-UHFFFAOYSA-N
-67BD09D60EFCF984_DE175D8A941148AC_6041_UN,C[N]1C=NN=C1C2=C(C=CC=C2)NC4CCN(C3=N[N](C)C=C3)C4=O,LTOFSUHAGAWKRJ-UHFFFAOYSA-N
-6853FF3D13BC09D3_46C3643492BBE46A_6028_UN,C1CN(CCN1[S](C2=NN=C(C)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,XBPKUQCQEQEFEY-UHFFFAOYSA-N
-68D4FC256BC9FD29_A2D58A7547174DBF_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C(F)(F)F)(=O)=O)C3=NC=CC=N3,TTYTVAISAAPJAW-UHFFFAOYSA-N
-6ADBBF84479BBC68_9387F5C5E5093F46_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC[S](C4=CC=C(C)C=C4)(=O)=O,DCSGSTCIFSMOEO-UHFFFAOYSA-N
-6AFF10ED094F06B8_CCBD70A0A06710E8_6029_UN,C1CN(CCN1[S](C2=CSC3=C2C=C(F)C=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,UDPJKHFUVLIYFY-UHFFFAOYSA-N
-6BEF1974F4C97654_0A5FDA51214F9432_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)C3=N[N](C=C3)C,XUEJMPLBJRYKCY-UHFFFAOYSA-N
-6C91387F8F229D49_60D0BAF85A1E9CE4_6029_UN,FC1(CN(C1)[S](C2=C(C=NC=C2)C3CC3)(=O)=O)C4=CN=CC=C4,CWMLLIUUBRDVFZ-UHFFFAOYSA-N
-6E5A4034903E1A29_D94AA9074E1169C4_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C4=C3C=CSC3=NC=N4,ODBAVLFLIKCLEC-UHFFFAOYSA-N
-6E6316AD846E7727_3C86698E6C9FBD47_7019_UN,C(C1CCNC(=O)CC1)=CC2=CC=C(C(CC)C)C=C2,BAZMREZXXQUXCD-UHFFFAOYSA-N
-6F2C8D1DD123F014_ECBAC3094B64150A_6005_UN,COC1=C(C=C(C=C1)O)C2=CC(=CC=C2)C3=CC=CC=C3,GEYRLMYWBMTUNM-UHFFFAOYSA-N
-726EBA75FC6260C3_7A91C99590218B2E_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC(CC(C)C)C(=O)N(C)C,YFLGXZQVRGYHAJ-UHFFFAOYSA-N
-7761A06D14FEA392_3C078575754CADA8_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,ZPZPFVMNCUAATC-CQSZACIVSA-N
-78222527DB908EDD_A262B8CF51B4DD02_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3C(OCC3)=O,VUWZPNHHSJLABV-UHFFFAOYSA-N
-782CB1ED9ED88C7F_71E92610CB42246A_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2Cl)C)(=O)=O)C3=NC=CC=N3,GKLMVWPHZUZTDG-UHFFFAOYSA-N
-79A733F6ADC3BF91_7594EF0D98347434_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NN=CC=C3,HQJOYOFXCOOVOK-UHFFFAOYSA-N
-7A971CCC78143215_07086BF3DF6D8347_6038_UN,CCC1=NC(=N[NH]1)C(C)OC(CC2OB(O)C3=C2C=CC=C3)=O,TWXZZHBLKIKAEA-UHFFFAOYSA-N
-7AF7617CEB4AB3EC_D13C9D4C96EE07C0_6036_UN,C(CC#CBr)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,WSWPHMVVJIMBHT-UHFFFAOYSA-N
-7BABC6552C8FF38F_626EFBDC60427239_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CS4,SLITXMVDVCTZOD-UHFFFAOYSA-N
-7CF5046295925278_9C2C7EA29C3342AE_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)=O)C=CC=C4C,LQQQMQRQULZAMU-UHFFFAOYSA-N
-7D43D88182E09632_D1E6FE0934D24813_6029_UN,C1CN(CCN1[S](C2=C(C)C(=CC=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,YJUJWZYQQLLNPD-UHFFFAOYSA-N
-7D6F7C1C584A2E01_2C7296756FFB5A1A_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O)C,WREINSNFDAMPLL-UHFFFAOYSA-N
-7ED9A93876341385_49E7EFEF3D78FC90_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,ZPZPFVMNCUAATC-AWEZNQCLSA-N
-820BA1B63295EB95_7E91F600D30BEDFB_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C(C3=NN(C)C(CC3)=O)=O,AJQMXPPUBXGUNV-UHFFFAOYSA-N
-8329ADA6D390DCD3_8AFBAE57E4E0BE6F_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,RFEPNRAXPUUJJY-UHFFFAOYSA-N
-833B9ED21C1521A0_C733FA8F068F6BBD_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2)Cl)(=O)=O)C3=CC=CC=C3,ZLELFQHUUHXTGY-UHFFFAOYSA-N
-83ABC7F8A6794D2F_EA241C56D2193F5E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC=C4F,XNEQNMNRKMEWQF-UHFFFAOYSA-N
-83E21189498EF419_0234CE05B081409D_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,KWNKLBCJBGYUKT-UHFFFAOYSA-N
-843A6E02F7900E61_AF97452E202B8CEE_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3(CN(C)C(CC3)=O)C)=O,ZEUYUNIUUQZEBT-UHFFFAOYSA-N
-843AD507BD374886_E680A6A89AAEC8CD_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)N[C@H]4C[C@H](CC4)C[S](=O)(=O)F,SBTSNKUTOFTNAC-VHSXEESVSA-N
-844AA5385C481A83_A7F14DFD50BF2BC9_6029_UN,C1C=C(CN1[S](C2=C(C=C(OC)C=C2)F)(=O)=O)C3=CC=CC=C3,JVCLRSMQSCEIAO-UHFFFAOYSA-N
-867FB05E00788E75_58C62B6D0A87CD07_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NCC4=C([S](N(C)C)(=O)=O)C=CC=C4,VISIEJGADGQZAO-UHFFFAOYSA-N
-881C7698FFC6C564_930B30ED75CA169B_6038_UN,CC1=CC(=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,MZSHJVITJLWRFI-UHFFFAOYSA-N
-884674B8A7BC711C_687CA60FCB0CC865_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)=O)C=CC=C4,PNOLKDFKZRBUCF-UHFFFAOYSA-N
-88F08C9731A36640_A109272877D720D2_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,FXWPLIUBCVTVDP-UHFFFAOYSA-N
-8C8791BBD4801C42_659D790211192BA4_6038_UN,CC1=NCCN1CCNC(C(N(C)C)C[N]2N=CC=C2)=O,HDIROVKBNRRBPI-UHFFFAOYSA-N
-8CFF8241CA6B0CA0_10A96EC728340669_6006_DP,OC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2)C3=CC=C(O)C=C3,GBPKJEFBTCKUIV-UHFFFAOYSA-N
-8D6F2F36605BAF3C_217590F7D0D48511_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(C)C=CC(=C3)N4CCCC4,QNRRIKPKTIERPV-UHFFFAOYSA-N
-90C2FC3C832D0723_B178B458F9F6E588_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(CC3OB(O)C4=C3C=CC=C4)=O,JVDAJZPWDWTKMO-UHFFFAOYSA-N
-90D57DBF0543AA69_4709AB19F79EE8C8_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CC(CC)=O)C=C3)(=O)=O,FQNXGMWYSHRXCS-UHFFFAOYSA-N
-910A5264DAB3247D_5E73D189ED2DBF72_6041_UN,F[S](=O)(=O)CC1=CN=C(C=C1)NC2C3=C(OCC2)N=CC=C3,QAZVHPXICCHNLM-UHFFFAOYSA-N
-9170190DA8A7E94D_279BB46AF6A6E84F_6035_DP,N2CC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(C2)C(Cl)(Cl)Cl,PEZCEYDLSKOLHV-UHFFFAOYSA-N
-92392FDCED20AA13_DE351247C6ECF931_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)F,AGGQPFCPEKRCBZ-NSHDSACASA-N
-92FDD74CFC2CDD06_E0F44F04AA12AA90_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NC3CCN(CC3CC)[S](=O)(=O)C,QKQRSPJJVGYXQW-UHFFFAOYSA-N
-978609E22A03AE91_B2DDD86071E36F34_6038_UN,N(C1=CC(=C(C=C1)Cl)Br)C(C2=N[NH]C(=C2)CCCCC)=O,JLZZFOXLZJGRRI-UHFFFAOYSA-N
-97B5DCAEE3926A3F_766294BF4F24812F_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3)F,WFEWDXJBUIRUOD-CYBMUJFWSA-N
-98CCE99081534EBA_F8943AE98A6EA237_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C(N(C)C)C=N3)=O,XXYFBUAPZFXUFH-CQSZACIVSA-N
-990E1861FA160F7C_3187480040C94B41_6028_UN,C1C=C(CN1[S](C2=C(OC)C=CC=C2Cl)(=O)=O)C3=CC=CC=C3,VRYKAAHDLFMCIY-UHFFFAOYSA-N
-9939C73179E917D6_BC72B0BC4010D58B_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=NC=CC(=N2)Cl)C=C3)(=O)=O)C4=CC=CS4,BTKJADNZMFPJKG-UHFFFAOYSA-N
-99999909F4475FA3_FE47E5A997A307D7_6038_UN,CC(NC(CC1OB(O)C2=C1C=CC=C2)=O)CC3=NC=CN=C3,FZZXCCSDGMWYHU-UHFFFAOYSA-N
-9A69E6CE75D5BF1F_53A437966D75A0EE_6038_DP,OC1=CC(=CC=C1)CNC(C3=C[N](C2=N[N](C)C=C2)C=N3)=O,VYWPHGABYCNTPR-UHFFFAOYSA-N
-9AC2AE326ABCDEE0_E6A33F28568AB09C_6029_DP,OC3CC(N[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O)C3,NTXVLCZCLLBJEG-UHFFFAOYSA-N
-9E5B1DB2D68E8068_5B680E3C063C0A49_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C3=NN=CC=N3,LARPGXAHYXEQIP-UHFFFAOYSA-N
-9F745ACA4E97CE1B_E3DEF2C1B8B4FE87_6029_UN,C=C1CN(C1)[S](C2=CC=C(OCCN(C)C)C=C2)(=O)=O,MKYVRQRLANNNAO-UHFFFAOYSA-N
-9F88BF7B4F14388E_81DE5A6FCAF672A7_6038_UN,CC4=C(OC(=O)C2=C[N]1C(=NN=C1C=C2)C3CC3)C(=O)C=CN4C,ZVFUVDKMSFPSKW-UHFFFAOYSA-N
-A4189B7F0119D041_24D6F3B11CA81811_6041_UN,CC2=C1N=CC=C(C1=NC=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,IVHHJJVAPOLCBC-UHFFFAOYSA-N
-A53C1DCB0193A01F_80040EE58D53C652_6029_UN,CC1CN(CCN1[S](C3=CN=C(C2=NN=C[N]2C)C=C3)(=O)=O)C4=CC(=CC=C4)F,XCYJIMHJZMPGSV-UHFFFAOYSA-N
-A5C87390C790999F_C0BA0E66F9B3F2CF_7015_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(C)C=C3)(=O)=O,RTELWXOHTHAMSR-UHFFFAOYSA-N
-A6E632797D4FF8F5_FA6A95375B6D238F_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=CSC(=N2)C)C=C3)(=O)=O)C4=NN=CC=C4,XBYPGGVWXNBKIH-UHFFFAOYSA-N
-A7B4070C3E18B29B_23A1C679EF21B505_6038_UN,C[N]1C(=NN=C1)CC(NC(C2=CC=C(B(O)O)C=C2)=O)C(=O)N,AYKXFWOGGRWXSD-UHFFFAOYSA-N
-A7CB4BA5FA9D7165_9424CE5C73CBAA1F_6028_UN,C1CN(CCN1[S](C2=NC(=NC3=C2C(=CC=C3)Cl)C4=C(C)C=CC=C4)(=O)=O)C5=CC=CS5,RBOCORZKTOBBLW-UHFFFAOYSA-N
-A8684E3CEE977905_0094EF7034E535FE_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=NN=CC=N4,NNTFBYRAVBMSHE-UHFFFAOYSA-N
-A8ABC3B3E03AACA0_6C49C050A0FEDB23_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4CCN([S](C)(=O)=O)CC4,BAWJDNKGMHNXJD-UHFFFAOYSA-N
-AA1A2CE8C56866D4_163C0BB3540DD766_6038_UN,CC(CCOC(CCC1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,ADIIOZINXIJUJS-UHFFFAOYSA-N
-ABCC84FDD6CB3080_070CF22D0643B727_6038_UN,CC1=N[N](C(=C1)C)C2=C(C=CC=N2)NC([C@@H]3N(C)C(CC3)=O)=O,NKHPDFNRJDERLT-CYBMUJFWSA-N
-AC3D64EB25A670F3_33ECBFF5BF34481B_6038_UN,CC(C)[N]1C(=NC=C1)COC(C3=CC2=C(COB2O)C=C3)=O,VUPXAVNJRNKUGN-UHFFFAOYSA-N
-ACEBD0D1B55E7080_F890927E0404E52D_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC(=CC=C3)N4CCOC4=O,BHJKBQLEWBXHJX-UHFFFAOYSA-N
-AD424ABE36834E7B_F4AE8AE3A269A0C0_6006_DP,OC1=C(C=C(C=C1)C2=CC=C(O)C=C2)C(=O)C3=CC=CC=C3,SPZQOJCVHKZAHN-UHFFFAOYSA-N
-AD62468E8D7F8D5A_EA8F8EBA6B6A89C5_6029_UN,FC2=C1N(CCOC1=CC=C2)[S](C5=CC=C(C3=C(C)N=C(N=C3)C4CC4)C=C5)(=O)=O,FUBCEOVUKLYFAV-UHFFFAOYSA-N
-AE3C24540E3AF840_AD3F1443068B43DA_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCCC4,NKDCGVHUNBOYSP-UHFFFAOYSA-N
-AEBE245E6EBB01F8_8B2B268D914B21CE_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2C=CS3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,LXPZTEXHZUZTLU-UHFFFAOYSA-N
-AFF35F04140C751A_9760484A290E30C3_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC(C)(N)C3=CC(=CC=C3)[N](=O)=O,CZARCYIEDYSGBD-UHFFFAOYSA-N
-B00CDE77CF1D7EEC_BAC25E26818A4F07_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C)C=CC(=C3)Cl)(=O)=O,HHRUTLIJOANECT-UHFFFAOYSA-N
-B74643585FD09666_F562A89D2A39F0ED_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC2=N[N](CC)C=C2C=C3)C4CC4,YQQUSXXHBUPTGR-UHFFFAOYSA-N
-B764F319FF4C369D_FCC830B7214AC4E7_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,SFJDIFXFNNEBRN-UHFFFAOYSA-N
-B7BA8A37FD17BE28_7F12C7B9C9FB5D26_6041_UN,OOC(=O)C1=CC(=CC=C1)NC3=C(OC2=CC=CC(=C2)C)C=CC=C3,BROIVHRIUFWXNW-UHFFFAOYSA-N
-B919D5EDE82368FF_834A638567DE59FB_6029_UN,C1C=C(CN1[S](C2=CC(=C(C)C=C2)Cl)(=O)=O)C3=CC=CC=C3,YKSVYIKIFVSRLL-UHFFFAOYSA-N
-BBE2CA8F412E9AFA_CE619C1A25FAD01E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=C(C(C)=O)C=C4OCOC4=C5,YOBCPZFTGBDMPC-UHFFFAOYSA-N
-BCAF7BF15BC230F7_9C30DE081702CAE8_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CCN([S](C)(=O)=O)CC3,CDBAVODOLYNEIP-UHFFFAOYSA-N
-BE2BF52BF439A15C_50427A60CCCF12AA_6041_UN,OC(=O)C1=CSC(=N1)C2=C(C=CC=C2)NCC3OC(OC3)=O,ZBCUZCINOZZPNK-UHFFFAOYSA-N
-BE6FBC5AA6170B60_BB4110269BB31B19_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCCN3CCN([S](C)(=O)=O)CC3)F,WRQVZAYFHWBBLO-UHFFFAOYSA-N
-BF6D19295BEBFFE5_4AA4EE0B9A863535_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC3=C2N=N[NH]3)(=O)=O)C4=NC(=CC=C4)C,CFAKNLIIAVBDLB-UHFFFAOYSA-N
-BFF255BB0FA6C08A_CB365E0F51F6FD66_6038_UN,O(C1=CC(=CC=C1)[N]2C=NN=N2)C(C3(C(N(C)C)=O)CC3)=O,QGUXZAJSYAXVHU-UHFFFAOYSA-N
-C1208281EA4207A6_05456216DA5C8E46_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=C4,NMQNDFTYNYMLCA-UHFFFAOYSA-N
-C1C701534D10D6C3_DC6598C870EF9552_6029_UN,CC1=NC(=CC=C1)OC2CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,SAKRNMROFDPYNV-UHFFFAOYSA-N
-C274099471A5FCF9_F2CF8D7B267D803D_6029_UN,C1CN(CCN1[S](C2=C(C)C(=CC=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,NURJDHZPGISANJ-UHFFFAOYSA-N
-C372A5666C6164C5_BD4089D272DCD63B_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)S4,PPQOEWMNUXDHCT-UHFFFAOYSA-N
-C4495A86647C4924_6E947B3BCED53E49_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3,DJRVAEMQWMCMOQ-UHFFFAOYSA-N
-C459BFB46744AC13_B23965D0071BE052_6028_UN,C1CN(CCN1[S](C2=NN=C([N]2C)C3=C(C=CC=C3)F)(=O)=O)C5=C4C=CSC4=CC=N5,JVAKLDZJVDAUIZ-UHFFFAOYSA-N
-C47DA68EC77E4766_8911AC2662EE1407_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C(=O)NNC(=O)C2=CC=CC=C2,AXPSUJUQUCWLMI-UHFFFAOYSA-N
-C58132C0F5345A17_60D19A292E6CA870_6041_UN,OC(=O)CC1=CSC(=N1)C2=C(C=CC=C2)NC3=CCOC3=O,ZSPPJXKBXOSIRS-UHFFFAOYSA-N
-C7DC547560E0973D_D8AAE86F064C7AF5_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,YRWQRCLNFCUAJR-UHFFFAOYSA-N
-C7DFC4246C43374D_AA5EE5C22E9B8F1F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,PYOVIVFTYUIDNE-UHFFFAOYSA-N
-C92B8C2E6E4D2E87_BBF8B3BDFE5D2362_2267_UN,CC1=C(C=CC(=N1)F)C#CC3=CC=C([S](N2CCC(N)CC2)(=O)=O)C=C3,WTORWFCPANXYEM-UHFFFAOYSA-N
-C94D3F382E99B1A6_2437020C4F5203F9_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,QHOBESGLGQSGES-AWEZNQCLSA-N
-C9516373453AD2AC_33537A3EE01BEF78_6041_UN,FC1=C(C2=C(C=C1)C(=NC=N2)NC3CN([S](C)(=O)=O)CC3)F,CTURFHYCFJDOLA-UHFFFAOYSA-N
-CFBF021371DF55BF_2B3F68C8F6DFAA85_6029_UN,OC1=C(C=C(C=C1)Cl)C2=C[N](N=N2)[S](C4=CC=C(C(N3CCN(C)CC3)=O)C=C4)(=O)=O,HRMPPIJVXIKLEN-UHFFFAOYSA-N
-D14DA7373B5826D5_E46C423F207F9DA4_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(CCC)C=CC=C3)(=O)=O)C,TZQWCLRGZWCYGR-UHFFFAOYSA-N
-D524D747F68A71F8_268F1DC3AD5D9E6D_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2COC3=C(N(C)C2=O)C=CC=C3)N(C)C,CYYCEISMRHPHON-GFCCVEGCSA-N
-D54BDD03169603E3_7B55E7BA3C1132DE_6028_UN,C1C=C(CN1[S](C2=C(C=C(OC)C=C2)Cl)(=O)=O)C3=CC=CC=C3,NNWDVQYSPVEUCI-UHFFFAOYSA-N
-D5D1D31DBF652EB2_C8494AABFC5287A6_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)N4CCOCC4=O,JRIXREVMTASPHO-UHFFFAOYSA-N
-D7C35161E5689C97_F35355C1833413FA_6038_UN,CC1=C(C(=CC=N1)OC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,IXEADIULJCOESY-UHFFFAOYSA-N
-D9413A83DC88FCA9_88B415752ACBBD0F_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC2CC(C)(C)OC3=C2C=CC=C3,GNMIUIJEBRQVKA-UHFFFAOYSA-N
-DB3377B0EBB3FA37_AC8800A0838A8AEC_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C6=C5C=CSC5=CC=N6,BKURYCPTCNXTCS-UHFFFAOYSA-N
-DDECF3D32D39B8AE_2FC3A1344F8B52A3_6029_UN,C1CN(CCN1[S](C2=CC(=NC=C2)C(F)F)(=O)=O)C3=CC=NC=C3,FJJYHKDYUSGTNO-UHFFFAOYSA-N
-DE09912EDE7335AB_6E23D00239889D40_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(C)(C)C3=NC=CC=C3,LSQYEISBQYQDEM-UHFFFAOYSA-N
-E1903D2C926CD98C_23B14567325A3D11_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=N2)C(C3(CN(C)C(CC3)=O)C)=O,ZDFXASZGLKKCLK-UHFFFAOYSA-N
-E36C793D93664B26_3E8FA7023326BD4B_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](N(C)C)(=O)=O,GQNLFSLDZNASEV-UHFFFAOYSA-N
-E4214F15C0258432_D7154BCE25FB797C_6034_UN,C(NC2=C1N(C=NC1=NC=N2)CC3([S](C)(=O)=O)CCC3)C4=CC=CO4,HFERWWJMSCPAPE-UHFFFAOYSA-N
-E628700323FE2E9C_981D7556CFE574BA_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,BDKRFIZCQHVJOZ-UHFFFAOYSA-N
-EA45ED71302DD25E_2A4A48A677D05346_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4,PZJZPADTDQKOPX-UHFFFAOYSA-N
-EA730A26D6CBE570_C074A91118B5353E_6038_UN,N(CCCN1C(C=CC1=O)=O)C(C2=CN=C(C(N(C)C)=O)C=C2)=O,WPSUBUKLHFFBNO-UHFFFAOYSA-N
-EB71B1C86DF8EDC7_79DE88860A48BAE8_6041_UN,OC(=O)CC1=C(SC=C1)NC2=C[N](N=C2)CCN3CCOC3=O,RODGWJMJQHRSRC-UHFFFAOYSA-N
-EC3566E7E55C5D7D_AD3F37D0209A23DD_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2N[C@@H]3C(OCC3)=O,VUWZPNHHSJLABV-LBPRGKRZSA-N
-ECE999856924132B_6D2FA783BD0A6838_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3=NN=C(Cl)C=C3)(=O)=O)C4=NC=CC=N4,BUUPEBDNSYJYKN-UHFFFAOYSA-N
-ED43510F6BED4E69_48D7F3A028D41F92_6038_UN,CN1C(CC(=N1)CNC(C2=CC=N[N]2CCN(C)C)=O)=O,QHMQCCUYCMDPRE-UHFFFAOYSA-N
-EDFFFF477D714409_BD2B4A7E6FE66CC9_6041_UN,CC1=C(C(=NC=C1)NC3C2=CC=CC(=C2OCC3)C)[S](=O)O,HSAQBMKGHOTNHC-UHFFFAOYSA-N
-EF2DE29C2EDCC192_01A5EFFC79A4A422_6028_UN,C1CN(CCN1[S](C2=NN=N[N]2C3=C(C=C(C)C=C3)C)(=O)=O)C5=C4C=CSC4=CC=N5,FKYXMXPBQBBKKM-UHFFFAOYSA-N
-EFBD8063C50777CF_664D00F15A2B391E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)C)C(N(C)C)=O,KKLIYTIXABQOPN-UHFFFAOYSA-N
-EFE4F56BFD0FEC2D_94C1BBB3F4A113F7_6039_UN,CCNC(=O)C1=C(C(=CC=C1)C)OCCCN2C(=O)CNC2=O,LPVBQMFMAFCZMF-UHFFFAOYSA-N
-F18B757EEE7BC7FD_E72C327FE550B08B_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=C(C=C(N)C=N3)Br)CC4,SEQLWEWEOBURHV-UHFFFAOYSA-N
-F1CB874B887D09EF_C0A9A23C7C2320CA_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=CC=NC=C5,CPGWIFJAJFFMMC-UHFFFAOYSA-N
-F3DAF774DA8604FE_9F37D6B5A9E59A7F_6028_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=CC=CC=C3,IUTUOYUSSGSLLV-UHFFFAOYSA-N
-F4126BF199EAA02E_BE5B005E28418402_6038_UN,CC(C)C1=NC(=N[NH]1)C2=CC(=CC=C2)OC(C3=NN(C)C(C=C3)=O)=O,SHHJBRXJNFDQLP-UHFFFAOYSA-N
-F5436589E0B7B8F5_C30361039C3074B1_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(N=C2)I)(=O)=O)C3=NN=CC=C3,JTQRGIJTXSWNHG-UHFFFAOYSA-N
-F6114FEEB3B72C62_C1CFD8363DDCEC42_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)O4,FXNAADZYHNBCLB-UHFFFAOYSA-N
-F75A1433D4DD2CA4_FB2F5A275BF8E2A4_6038_UN,N(CC1ON=C(C1)C(=O)N)C(=O)C[N]2C=CC(=N2)[N](=O)=O,OAABGLPWZQJYTJ-UHFFFAOYSA-N
-F80262907E8D6CC9_AFD139571D5EE081_6038_UN,N(C(C(=O)N)C(=O)N)C(=O)C2=NC=C1OCCOC1=C2,JFZYIGHWUBOKJJ-UHFFFAOYSA-N
-F944CB3C1B918670_573A8DD4B94FC164_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,JPKKGBUGNWBWSB-UHFFFAOYSA-N
-F96348664C2CE5F9_B2269D2CDF763706_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,YGCOANBWOROVBA-QGZVFWFLSA-N
-FAC2B252F059404C_C9A88926B1BDDE06_6029_UN,C1C=C(CN1[S](C2=CC(=C(C)C=C2)F)(=O)=O)C3=CC=CC=C3,YKZINJPSLIPJSL-UHFFFAOYSA-N
-FB3470778D81ED6E_2EFDE0C33D4E7889_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=NC=CC=N3,BKVDUCDROODAHR-UHFFFAOYSA-N
-FC2ABEF04F9C6BD5_A53ED6B3EB951AEB_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=C([S](C)=O)C=CC=C4C,WIJMHZCYCOMHRF-UHFFFAOYSA-N
-FC96FE4350A8502E_2B187931088E63D0_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,BDPZNJFZUSWCNT-UHFFFAOYSA-N
-FD005504ADFA4D13_2E095ECB33ACC7A4_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)N=CN=C2Cl)(=O)=O)C3=CC=NC=C3,LEFYDESZAJYMOO-UHFFFAOYSA-N
-FEF5164A7ED00A10_DEE7BC1DC3373294_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCC2=CN=C(N(C)C)N=C2)S,QKEQACRZDHKPSP-UHFFFAOYSA-N
-rxn:2:100409:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(Nc1nnc(C#CC3CC3)s1)C2,RSBGPQHGASAGAT-UHFFFAOYSA-N
-rxn:2:104332:70685,O=S(=O)(F)C1CC(NCC(c2nnn[nH]2)C2C3CC4CC(C3)CC2C4)C1,VGFDIMQMRMRHNZ-UHFFFAOYSA-N
-rxn:2:104664:166005,CCN1CCN(Cc2cc(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)n[nH]2)CC1,VKLNAUOLFYTDIT-UHFFFAOYSA-N
-rxn:2:105972:66610,CC(NC1CCS(=O)(=O)CC1(C)C)c1ncc(C2C3CC4CC(C3)CC2C4)o1,AXSXTDHFNOPRBV-UHFFFAOYSA-N
-rxn:2:105972:70685,CC(NC1CC(S(=O)(=O)F)C1)c1ncc(C2C3CC4CC(C3)CC2C4)o1,OJTWHYJBCDTCCW-UHFFFAOYSA-N
-rxn:2:109245:68833,CCS(=O)(=O)CCCC(NC1CCN(c2nc3ccccc3o2)CC1)C(C)(C)C,RVCUHTLGQKGGAG-UHFFFAOYSA-N
-rxn:2:109605:152385,Cc1c(OC(Nc2c(C(C)C)c(C(C)C)n[nH]c2=O)C(C)(C)C)ccc2c1OCCCC2=O,XGEHDXPLJNVARV-UHFFFAOYSA-N
-rxn:2:110564:151893,CN(C)CC1COc2cc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)ccc2C1,LKLIFOZMXJCUHK-UHFFFAOYSA-N
-rxn:2:111757:66790,CCN1CCS(=O)(=O)c2ccc(NC(c3ccc(CN4CCCC4)cc3)C3CCC3)cc2C1,CRLCWUVPMSRVGE-UHFFFAOYSA-N
-rxn:2:113350:162580,CCC(Nc1cn(C)nc1N1CCN(C)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,VNJHKRSLXRFTCR-UHFFFAOYSA-N
-rxn:2:114185:66153,CCn1ccc(S(=O)(=O)C(C)(C)CNCC2c3ccccc3OC23CCN(C)CC3)n1,DQIHRGJYFZQBHP-UHFFFAOYSA-N
-rxn:2:114568:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3cncc(N4CCCCC4)c3)C2(F)F)nc1,MVBBRWIAGNBGPF-UHFFFAOYSA-N
-rxn:2:118831:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)n(C(=O)C4CCCCC4)o3)C2(F)F)nc1,OOCXBTLBEDIXEY-UHFFFAOYSA-N
-rxn:2:119684:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(C4CCCC4)cc(=O)[nH]3)C2(F)F)c1,GXPBEJWDSHXYCV-UHFFFAOYSA-N
-rxn:2:120678:151893,CN1CCN(Cc2nnsc2NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC1,LOBUBADFERYPJB-UHFFFAOYSA-N
-rxn:2:123990:71442,CC(NCCO[Si]12OCCN(CCO1)CCO2)c1ccc(S(=O)(=O)F)cc1,SEZIYZZSWSEVQN-UHFFFAOYSA-N
-rxn:2:127443:68833,CCS(=O)(=O)CCCC(Nc1cccc(C2CCN(C)CC2)c1)C(C)(C)C,WDWMHSVURKITDM-UHFFFAOYSA-N
-rxn:2:130766:70187,CCCC(C)N(C)C1COc2ccccc2C1NC1CC(C)(C)CC1c1ccnn1C,VCDNPGQQBICJMW-UHFFFAOYSA-N
-rxn:2:130766:93541,CCCC(C)N(C)C1COc2ccccc2C1NC(C)ON1CCC(=O)CC1,RDTRIAIDXQTTHK-UHFFFAOYSA-N
-rxn:2:131168:112885,Cc1coc(C)c1C(CS(C)(=O)=O)Nc1[nH]ncc1SC12CC3CC(CC(C3)C1)C2,ROGFKKGZWVGBQZ-UHFFFAOYSA-N
-rxn:2:132108:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nnc4c(n3)C3(C)CCC4C3(C)C)C2(F)F)nc1,OHPPAIBSTLRIOP-UHFFFAOYSA-N
-rxn:2:132432:80930,Cc1nc(C2C3CC4CC(C3)CC2C4)c(CNC2C(C)(C)S(=O)(=O)C2(C)C)o1,BYDOVKLZJNDNFU-UHFFFAOYSA-N
-rxn:2:132999:162544,CC(NC1CCN(CCc2ccc3c(c2)OCCO3)C1)c1cn(N2CCCCC2)c(=O)[nH]c1=O,LJFRPOSUPJXANF-UHFFFAOYSA-N
-rxn:2:134277:152385,Cc1c(OC(Nc2ncc3c(n2)COCC3(F)F)C(C)(C)C)ccc2c1OCCCC2=O,CUYWSLRXZMKPLX-UHFFFAOYSA-N
-rxn:2:135565:70685,O=S(=O)(F)C1CC(NCCC2CCN(c3ncc(C4CCC4)cn3)C2)C1,QZHBQJHWJYTVOU-UHFFFAOYSA-N
-rxn:2:135828:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc(N4CCCCC4)ns3)C2(F)F)c1,JUFOCDIRNQYRBG-UHFFFAOYSA-N
-rxn:2:138390:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nnc(C4CCC(C)(C)CC4)o3)C2(F)F)nc1,RSSSJSVLWZKZDM-UHFFFAOYSA-N
-rxn:2:139239:152385,CCC(CC)c1nnc2cc(C)c(NC(Oc3ccc4c(c3C)OCCCC4=O)C(C)(C)C)cn12,JVUMXIRENBXVBO-UHFFFAOYSA-N
-rxn:2:140823:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(=O)n(C4CCCCC4)s3)C2(F)F)nc1,OPCZZTQZXVNINR-UHFFFAOYSA-N
-rxn:2:141882:88050,CSc1ccc(CCC(Nc2cc(C)cnc2S(=O)(=O)C(C)(C)C)C2CCCCC2)cc1,QYHAINIWRXEVOU-UHFFFAOYSA-N
-rxn:2:141972:103302,CCC(NC1CCN(c2nccn(CC)c2=O)CC1)c1ccc(N2CCC(C)CC2)cc1,CHZWTBKUEFVEMW-UHFFFAOYSA-N
-rxn:2:142913:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(-c4nc(C5CCCCC5)no4)cnn3C)C2(F)F)nc1,GVFXDYNUESZIHA-UHFFFAOYSA-N
-rxn:2:143356:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(C)nc4cnc(C5CCCCC5)n34)C2(F)F)nc1,QSNSRTIGLSKTIJ-UHFFFAOYSA-N
-rxn:2:143964:67002,Cc1ccc(C(Nc2cnc(=O)n(C3C4CC5CC(C4)CC3C5)c2)C(C)S(C)(=O)=O)cc1,CGZLVMSEEYOMFR-UHFFFAOYSA-N
-rxn:2:145561:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3ccc4[nH]n(C5CCCCC5)c(=O)c4c3)C2(F)F)c1,VQTKLAJEQQENGY-UHFFFAOYSA-N
-rxn:2:153884:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCc1noc(C3COc4ccccc4O3)n1)C2,YRTVVBLEFXTFKQ-UHFFFAOYSA-N
-rxn:2:154173:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N4CCOC(C)C4)ccc4scnc34)C2(F)F)nc1,HZASKEAULCIFNM-UHFFFAOYSA-N
-rxn:2:156499:151893,O=c1[nH]c2ccc(C(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C3CCCCC3)cc2o1,OYMCQMGZOAHEPE-UHFFFAOYSA-N
-rxn:2:156499:155396,CC(=O)c1ccc(C2C(CSC(C)NC(c3ccc4[nH]c(=O)oc4c3)C3CCCCC3)C2(F)F)nc1,RUNGMNMKJUDIPK-UHFFFAOYSA-N
-rxn:2:158444:68833,CCS(=O)(=O)CCCC(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(C)(C)C,ZSBCXAPPEFLKNK-UHFFFAOYSA-N
-rxn:2:159326:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCCCn1ncc(=O)c3ccccc31)C2,NITCXDUKRBQABN-UHFFFAOYSA-N
-rxn:2:161470:155396,CC(=O)c1ccc(C2C(CSC(C)NC3CN(c4nccn5nc(C6CC6)cc45)C3)C2(F)F)nc1,OUJHKIFWSSHXGB-UHFFFAOYSA-N
-rxn:2:163038:94702,COc1ncc(C(F)(F)c2nnn[nH]2)cc1NC(C)SC(C)(C)[C@H]1CC[C@H](C)CC1=O,BRFYZNHANWIGDA-PSIKVXPXSA-N
-rxn:2:163262:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(OC4CCCCC4)ccc4scnc34)C2(F)F)nc1,NUYPDFFMRWFXGP-UHFFFAOYSA-N
-rxn:2:167522:152385,Cc1c(OC(NCC2C(c3ccc4[nH]nnc4c3)C2(F)F)C(C)(C)C)ccc2c1OCCCC2=O,FMNMGWLFNWPOAF-UHFFFAOYSA-N
-rxn:2:167522:94702,CC(NCC1C(c2ccc3[nH]nnc3c2)C1(F)F)SC(C)(C)[C@H]1CC[C@H](C)CC1=O,FNLSUMTVBLWVTK-FDKOGUBSSA-N
-rxn:2:65890:166005,CN1CCC(C(F)(F)c2ccc(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)cc2)C1,ALWAREBSLJHNMA-UHFFFAOYSA-N
-rxn:2:65903:164678,Cc1ccc(S(=O)(=O)OC2CCC(Nc3nc(C4CCC(F)(F)CC4)no3)CC2)cc1,POKYOFAERRAIHF-UHFFFAOYSA-N
-rxn:2:65930:67002,CCCc1nc(C2(NC(c3ccc(C)cc3)C(C)S(C)(=O)=O)CCC(CC)CC2)no1,UJSFINJZGLTICU-UHFFFAOYSA-N
-rxn:2:67410:70685,CC(C)Oc1c(NC2CC(S(=O)(=O)F)C2)cccc1N1CCN(C)CC1,KTZWFEKEUQTBOX-UHFFFAOYSA-N
-rxn:2:67601:151893,Cc1n[nH]c(C(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)C2CCCC2)c1C,AEIJHWKCDAATDE-UHFFFAOYSA-N
-rxn:2:67757:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCCc3nc4c(s3)CC(F)(F)CC4)CC2)cc1,DHVHMDGHBAYOIJ-UHFFFAOYSA-N
-rxn:2:68164:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4noc(C5CCC5)n4)CCC3)C2(F)F)nc1,FGMRTUVGZFUHMV-UHFFFAOYSA-N
-rxn:2:68875:66790,C[C@@H](NC(c1ccc(CN2CCCC2)cc1)C1CCC1)c1cncn1C1CS(=O)(=O)C1,GQGXAFGICNZMLD-QFADGXAASA-N
-rxn:2:69000:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(c3nnn[nH]3)C3CCCC3)C2(F)F)nc1,IRZKYKXRCFLKTR-UHFFFAOYSA-N
-rxn:2:69390:80930,CC1(C)C(N[C@H]2CCCN(c3ccc4c(c3)OCO4)C2)C(C)(C)S1(=O)=O,QOJHEICKUIWMPK-ZDUSSCGKSA-N
-rxn:2:69394:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(=O)nc(C4CCCCO4)[nH]3)C2(F)F)nc1,MPSAMQBGDWHONC-UHFFFAOYSA-N
-rxn:2:69630:80930,Cc1nc(C2C3CC4CC(C3)CC2C4)c(NC2C(C)(C)S(=O)(=O)C2(C)C)[nH]1,OGRQTTBLUUGTOX-UHFFFAOYSA-N
-rxn:2:70460:70685,Cc1ccc(C)c(CC2CCN(CCNC3CC(S(=O)(=O)F)C3)CC2)c1,GBJYMSYRMFUPHV-UHFFFAOYSA-N
-rxn:2:70672:80930,Cc1cc(NC2C(C)(C)S(=O)(=O)C2(C)C)n(C2CC3CCC(C2)N3C)n1,FDVLLWZDGQTUGU-UHFFFAOYSA-N
-rxn:2:71084:102337,CCCS(=O)(=O)c1cc(NC2CCN(c3ccc4c(c3)OCCO4)C2(C)C)cnc1OC,ZDVMTIYBPVDFOF-UHFFFAOYSA-N
-rxn:2:71427:152385,Cc1c(OC(Nc2ccc(C(C)(C)S(C)(=O)=O)nc2)C(C)(C)C)ccc2c1OCCCC2=O,AEEXBPVXVMQNEB-UHFFFAOYSA-N
-rxn:2:71491:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc(N4CCN(C)CC4)cc(=O)[nH]3)C2(F)F)c1,YVTVTXNMRVITLB-UHFFFAOYSA-N
-rxn:2:71581:152385,Cc1c(OC(Nc2nnnn2CCCN(C)C)C(C)(C)C)ccc2c1OCCCC2=O,RTVBQYCSSJGDEK-UHFFFAOYSA-N
-rxn:2:72003:146388,CC(NCc1ccnc(N2CCCSCC2)c1)SCC#Cc1ccc2c(c1)CCC(=O)C2,BDPZOQDYOVIEKR-UHFFFAOYSA-N
-rxn:2:72016:151893,C[Si](C)(C)c1cn([C@H]2C[C@@H](NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)nn1,ALOXZZMOCIGTFS-JJTKIYQPSA-N
-rxn:2:72194:155396,CC(=O)c1ccc(C2C(CSC(C)NCCc3nnc(C4CCCO4)[nH]3)C2(F)F)nc1,DDOSDGAITVNYPE-UHFFFAOYSA-N
-rxn:2:73011:166005,CS(=O)(=O)c1cccc(N2CCC(NCCc3csc(CN4CCOCC4)n3)CC2)c1,NHTLIVCOESDLRQ-UHFFFAOYSA-N
-rxn:2:73079:67002,COc1cccc(C2CC(NC(c3ccc(C)cc3)C(C)S(C)(=O)=O)CN(C3CC3)C2)c1,QJCKFXUPLPBZOD-UHFFFAOYSA-N
-rxn:2:73437:80930,CC1(C)C(NCC2(F)CN3CCC2CC3)C(C)(C)S1(=O)=O,DAQKTBRZYWEASZ-UHFFFAOYSA-N
-rxn:2:73626:151893,CC(NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1nc(N2CCOCC2)no1,VNRWVPSZEIKNDP-UHFFFAOYSA-N
-rxn:2:73682:155396,CC(=O)c1ccc(C2C(CSC(C)NC3CCc4nnn(C5CC5)c4C3)C2(F)F)nc1,MRQPSUPZLQQWMN-UHFFFAOYSA-N
-rxn:2:73882:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cccn([C@H]4CCCOC4)c3=O)C2(F)F)c1,MTAUOCCGKNTDKX-IGPFKXSDSA-N
-rxn:2:74153:111290,CC(=O)c1cncc(C2CC2CCSC(C)Nc2cccnc2N2CCC(N(C)C)CC2)c1,WFIYWYUSWCBHCZ-UHFFFAOYSA-N
-rxn:2:74153:164678,Cc1ccc(S(=O)(=O)OC2CCC(Nc3cccnc3N3CCC(N(C)C)CC3)CC2)cc1,QCVGKTWORCXFFH-UHFFFAOYSA-N
-rxn:2:74367:165475,Cc1ccc(C)c(C(NCC2CCC(c3nc(C4CCCC4)no3)CC2)c2cccc(S(C)(=O)=O)c2)c1,MDPXGDPFKJWQPU-UHFFFAOYSA-N
-rxn:2:75015:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nnc(SC4CCCCC4)s3)C2(F)F)nc1,OSGWSURPPRAFML-UHFFFAOYSA-N
-rxn:2:75192:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(C)n[nH]c3CN3CCCC3)C2(F)F)nc1,MEQZUKNXLHEJKS-UHFFFAOYSA-N
-rxn:2:75445:155396,CC(=O)c1ccc(C2C(CSC(C)NCCC3CN(C)c4ccccc4N3C)C2(F)F)nc1,YMIPSGFGBWSIOR-UHFFFAOYSA-N
-rxn:2:76177:79246,CCCn1ccnc(N2CCC(NCC(C)(C)S(=O)(=O)c3cnn(CC)c3)CC2)c1=O,AWQGBTAENSVWBB-UHFFFAOYSA-N
-rxn:2:77527:171477,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCC2Nc1ccc(CS(=O)(=O)C2CC2)nc1,UZPGZTXRXRFWET-UHFFFAOYSA-N
-rxn:2:78653:162544,CSc1cnn(C(C)C2CC2(F)F)c1NC(C)c1cn(N2CCCCC2)c(=O)[nH]c1=O,TVZZHIBMXXCAGL-UHFFFAOYSA-N
-rxn:2:79373:104792,CC(CCc1ccc(C(F)(F)C2CC2)cc1)NCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1,AXDGXTJOKGTEST-UHFFFAOYSA-N
-rxn:2:80028:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cn(C4CCC4)c(=O)[nH]c3=O)C2(F)F)c1,UMLVLWJKTLFGQG-UHFFFAOYSA-N
-rxn:2:80028:152385,Cc1c(OC(Nc2cn(C3CCC3)c(=O)[nH]c2=O)C(C)(C)C)ccc2c1OCCCC2=O,APJLBTQDGSWXIR-UHFFFAOYSA-N
-rxn:2:80391:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc4n(n3)CC3(CCC3)CO4)C2(F)F)nc1,VBVMCDQCTQIZBW-UHFFFAOYSA-N
-rxn:2:80945:151893,CCC(Cc1cnc(C2CCC(C)CC2)nc1)NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,HHEWNPQYJOEWMD-UHFFFAOYSA-N
-rxn:2:81079:153759,CC(NCC1CN(C)CC1C1CCOC1)c1cccc(-n2nnc3c2C(=O)OC3=O)c1,FKANENNAMUEAQQ-UHFFFAOYSA-N
-rxn:2:81760:102337,CC(C)Oc1c(NC2CCN(c3ccc4c(c3)OCCO4)C2(C)C)cnn(C(C)C)c1=O,QMDFMCOEJGDWCK-UHFFFAOYSA-N
-rxn:2:82716:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)Nc2nc3c(n(C(C)C)c2=O)CCCC3)c1,HVYAMLJHQQPVRY-UHFFFAOYSA-N
-rxn:2:83267:121122,CCC(C)CC(CS(C)(=O)=O)Nc1cccc(OC2C3CCC(C3)C2N(C)C)c1,SVFYVQFBPICJKL-UHFFFAOYSA-N
-rxn:2:83267:70685,CN(C)C1C2CCC(C2)C1Oc1cccc(NC2CC(S(=O)(=O)F)C2)c1,KOMNGEFGPOJUAN-UHFFFAOYSA-N
-rxn:2:83691:171274,CC(Nc1ccc(S(=O)(=O)C2CC2)nc1)c1cccc(OC2C3CC4CC(C3)CC2C4)c1,RCGCBNVSBPOHSA-UHFFFAOYSA-N
-rxn:2:83919:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3nc(N4CCCC4)nc4c3CCCC4)CC2)c1,YDNVQXAVOKGIOV-UHFFFAOYSA-N
-rxn:2:87569:67002,Cc1ccc(C(NC[C@H]2CCCN(C3CC3)[C@@H]2c2ccnn2C)C(C)S(C)(=O)=O)cc1,RVODARQNXKDXGZ-VRLRGEMKSA-N
-rxn:2:87966:70685,CC1CCCN1CC(NC1CC(S(=O)(=O)F)C1)c1ccc2c(c1)OCO2,LPEIJESTUPTOLB-UHFFFAOYSA-N
-rxn:2:89079:67002,Cc1ccc(C(Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)C(C)S(C)(=O)=O)cc1,YYSHBTBYNVREIA-UHFFFAOYSA-N
-rxn:2:91818:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3[nH]ncc3N3CCCOCC3)C2(F)F)nc1,DCOQOCDMIXSRFH-UHFFFAOYSA-N
-rxn:2:92122:103302,CCC(Nc1ccc2c(c1)N(C)CC(CC(C)C)S2)c1ccc(N2CCC(C)CC2)cc1,FXZKEDIPQPFMOC-UHFFFAOYSA-N
-rxn:2:94713:125595,CS(=O)(=O)CCC(Nc1csc(C23CC4CC(CC(C4)C2)C3)n1)C1CC1,ZIRBYFUHYVHSAF-UHFFFAOYSA-N
-rxn:2:94835:171477,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCC2NCCC1C(c2c[nH]cn2)C1(F)F,IAKJFIJNAHCTFS-UHFFFAOYSA-N
-02F84AB4B881C150_03214C0DF019FE78_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N(C3=CC=C(F)C=C3)C4CCC4,DSXIUAKLNKEPHD-UHFFFAOYSA-N
-030C6553D6AC3832_9F81D1A48501CF6B_6038_UN,COC(=O)C[N]1N=NC(=C1)CCNC(C3=CC=C(C2=NN=C(C)C=C2)C=C3)=O,LLWNWPXSWLETQR-UHFFFAOYSA-N
-05A180FDC2C7AB9B_48E8F6A19E6587BC_6041_UN,C[N]1C=CC2=C1C=C(C=C2)NCC(C)C3=NN=C[N]3C,KEOFDAXQYNBKPV-UHFFFAOYSA-N
-062A48D36C031E4C_B8D602059F0277CD_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC(=C(C=C3)Br)C)CC4,XELOJJSWGQRYHO-UHFFFAOYSA-N
-0722C491FB14E963_6BC8C79BD2A55177_7013_DP,[NH]2C1=CC5=C(C=C1N=C2[C@@H]3CCO[C@H]3C4=NC=C[N]4C)OCO5,GZQKUEGWAAVUQJ-YMTOWFKASA-N
-074488B76FD8BBCB_F833C29A355A001C_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC(=C(C=C3)[N]4C=NN=N4)C)=O,XJTYRPJBDTVVPY-UHFFFAOYSA-N
-091F27FB019EE265_8F9EC3726FA3CDDA_6041_UN,COC1=C(C=C(C=C1)NCC2=NC(=N[NH]2)C3=CC=CS3)N(C)C,GRLJDJHZLPLKEX-UHFFFAOYSA-N
-0A38C392B14D0F75_03D8250D20A96BEE_6038_UN,N(C1=C(C(=CC=C1)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,GOINGSWLPIOPQZ-UHFFFAOYSA-N
-0C715F6B444ABD2C_2F5751F9D3536E17_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CCC[S](C)(=O)=O,RCQSDHDWHCOUOP-UHFFFAOYSA-N
-1330C912BCF7A558_B6D09B4EB92137B9_6041_UN,COC1=CC(=CC=C1)N(C)C2=NC(=NC=C2)NC3=CCOC3=O,YYNQWTUOJVCEHR-UHFFFAOYSA-N
-1621959611A5BDE9_AC59659A2216B14F_6006_UN,C2(=C1C=CC=C(C1=NC=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCCC4,PNZGGTLIBHXOCW-UHFFFAOYSA-N
-1B400BB8AC34F7EA_6E6F2B7A88AE5E89_6026_UN,CCC1=CC(=CC=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,MJPINCGFEHTFGK-UHFFFAOYSA-N
-1B8066A6E3CB0D46_6A24FCD5E90FAA52_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F)C(C)(C)C,KCRMBEXWVUEOMR-AWEZNQCLSA-N
-1C51A9E9B8F74A06_DE653CEE90CDE52A_6028_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,SPEIHSLYGOCEJS-UHFFFAOYSA-N
-1C7B8D7C6587358B_8614E3261076F775_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2CSC3=C2C=CC=C3,AVFMGJQTRBAIKZ-UHFFFAOYSA-N
-211EE44FCF7DE256_0FE2CF9059D847A6_6038_UN,N(C1=CC=C(C=C1)[N]2N=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,YDMWBDZPTOWEDL-UHFFFAOYSA-N
-21FC58FEDF232A11_CC23F47F099DD97C_6038_UN,CN2C(=C(COC(C1=C(N(C)C)C=CC=N1)=O)C[N]3N=NN=C23)C,SAAQBKYJIIMMGX-UHFFFAOYSA-N
-256BCAEBEFAF3BA4_C74ECC8F96B89E8D_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCCN(CC3)C4=NC=CS4,PILZSAWVHDFBDW-UHFFFAOYSA-N
-258539D808466270_FD5582A92AC3BE51_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,BHELOAHPDQZVAB-KRWDZBQOSA-N
-26BC735F1B52E96C_5C765CEBFA3B8F38_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,COQCKBIFACHKCJ-UHFFFAOYSA-N
-26FBEAD55CE3605A_90B44A0C991EC8DF_7013_UN,N2=C(C1CC1C(C)(C)C)[N](C3=C2C=C(C=C3)Br)C4CC4,YCOBDLUPLHKJAF-UHFFFAOYSA-N
-28DA4ABC91293BE9_8567547ED1AD2574_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NC(C)C4=NN=N[N]4C,SCALRHXIQBQZGE-UHFFFAOYSA-N
-299ADDE3A9A5E96D_E05401C1778CF6CC_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)N4CCOCC4=O,IFEAELHJILQWRZ-UHFFFAOYSA-N
-2B025712D2E8BDF7_34D27A739A5BB6D2_6029_UN,C[C@H]1C4=C(C[C@H]1N[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C=CC=C4,XHWPYVIKJBUAIQ-SCLBCKFNSA-N
-2C2FCF2EB8988461_C1D1C3ADF877C033_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,VJUFKYFXUAOYNZ-UHFFFAOYSA-N
-2C303BDCDD787F1A_250B9D0B4BBDFC27_6034_UN,O=C3C=C(C1=CC=CC=C1)[N]2N=CN=C2N3CC4NCCN(C)C4,CRVBSCIOMNFSEL-UHFFFAOYSA-N
-2C596266C107E750_430C65F0E5C6FC2A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,QWSHKFBGSYIXHP-UHFFFAOYSA-N
-332DE8DE0A0B1C56_6F28C3B9892619FB_6041_UN,CC1=C[N](C)C(=N1)NC(C)C2C(C3=C(O2)C=CC=C3)C,AFRJCMREYGOZDB-UHFFFAOYSA-N
-33AFFC3AA286B713_1734D6B6E6733632_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(=O)CC(C3=CC=CC=C3)[N]4C=NN=N4,SMPPLQVRYXTENQ-UHFFFAOYSA-N
-35E09FAD11DA5343_A5512A68F7553CCE_6029_UN,C3=CC1=C(C=C(C=C1)C2=CC=CC=C2)[N]3[S](C4=CN=C(S4)N5CCCCC5)(=O)=O,CCGAFMKBZUBWGA-UHFFFAOYSA-N
-36CD16AD5AFB52EA_6F8777FD4419CF8E_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OCCC2)C=CC(=C3)F,KVIOBRHPKVFHBL-UHFFFAOYSA-N
-371C9DF69A75B67F_118141525A058742_6041_UN,CC1=NC(=N[N]1C)NC2=C(C)ON=C2C3=CC=CC=C3,DJEZSLZMBRPQKR-UHFFFAOYSA-N
-374BA87C494451B7_BB82B3933ACB6F63_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,SIGDMXGQKRZJGR-UHFFFAOYSA-N
-37BA55BAE51FE803_4818948DAD4C60DA_6029_UN,N(C1=CN=C(C=C1)OC2CCCC2)[S](C4=CC3=C(C)N=CN=C3C=C4)(=O)=O,IKBAPXVXZAQUJS-UHFFFAOYSA-N
-383087C00CE4EA5A_B7389FFD725D6976_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=CO2)C(C3=CC(=CS3)COC)=O,AXLAWEKALVZVQR-UHFFFAOYSA-N
-38E259AB888BC600_2229E15E5F726DA7_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CCC)(=O)=O)C4=NC3=C(C=CC=C3)S4,SQAUGNHFZDINCK-UHFFFAOYSA-N
-39B5133560D95AC6_CBCC8008D3CF9C35_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F,FHRQCQJNBGSBTA-INIZCTEOSA-N
-3B4ACB23B636C843_53D2AEFDF567E76F_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,IMFBCNBEZXITRU-UHFFFAOYSA-N
-3BDDAB94F2AC0467_B7E2E4E599116C10_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C=C3)F)C)(=O)=O,KZXQTCNLXFNCLK-UHFFFAOYSA-N
-3BF67730C8858D89_AFF840D9B242ADD6_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C4=NN=C(S4)N5CCCC5)(=O)=O,CMFQFOXZPRHEFX-UHFFFAOYSA-N
-3C1DC517E1C6627D_262B6698E48C0361_7022_UN,COC1=CC(=C(C(=C1)C)OC3=CC=C(C2=C[N](CC)N=N2)C=C3)C,INKCIKCSYFWMQE-UHFFFAOYSA-N
-3C5F830E37ED91AB_7B43B97659CCA280_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,BOGQVTVAONXUBT-UHFFFAOYSA-N
-3C7D50CFEF842CBD_D1881C92E00B19E3_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,YYXWPTQHNYJTHO-UHFFFAOYSA-N
-3E9B7A047D038899_9C7BE01928673FAE_6041_UN,FC2=C(C=C1C=CC=CC1=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,WHPVPACICUHRQH-UHFFFAOYSA-N
-4214C4C1273D4B6E_055E6D17C213253F_6041_UN,COC(=O)C4=CC1=C(N=CN=C1NCC2=C(C=CC(=C2)C3CC3)F)[N]4C,SQVSQAHUGPWSQT-UHFFFAOYSA-N
-4279D57206F6DEFC_DC7458C0715536D9_6026_UN,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CCC(C4=NC3=C(C=CC(=C3)Cl)S4)CC5,WQZPLUMLGQIXBF-UHFFFAOYSA-N
-43557CBBF785E9B6_5D33BCD7262A4828_6026_UN,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CCC(C4=NC3=C(C=CC(=C3)C)S4)CC5,JSBXIGGMVWDJJF-UHFFFAOYSA-N
-4539352A934F975C_6963E6EAFDBF7CC0_6041_UN,CN(C)C1=NC3=C(C(=N1)NCC2SCCS2)C=CC=C3,XHLPRDKYWGBCRG-UHFFFAOYSA-N
-45FB8D7779C7A392_39D0902E0DDD3DB6_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,QTRNLPIDJFGUJV-UHFFFAOYSA-N
-47ABF5DD2D872068_F28D9E765E2B2440_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C4=NN=C(S4)N5CCCCC5)(=O)=O,DAJTUODIGPPQCC-UHFFFAOYSA-N
-4A5E23A9DFBEF87E_21C6C3695B64C393_6041_UN,CC1(C)CCCN(C1)C2=NC(=NC=C2)NC3C4=C(SCC3)C=CC(=C4)F,DHOXADKVRSZVAB-UHFFFAOYSA-N
-4AC32245027B5A9D_52B1D8BF9F2BACC3_6038_UN,CC3=C(OC(C2=CC=C(C1=NC=N[N]1C)C=C2)=O)C(=O)CC3,KXFVKDMKSUOZIL-UHFFFAOYSA-N
-4BFB4AC2C0C77FEF_BC0822C1A6591D44_6038_UN,CN1CC(C1)OC(=O)CC2=CSC(=N2)C3=NC=CC=C3,BFOPPXFEQMDHBC-UHFFFAOYSA-N
-4CA07FC7D1BBFA20_636B141CA34F7D64_6003_UN,O(C1=CC=C(C=C1)O[P](=O)(O)O)C2=CC=CC=C2C(=O)C3=CC=CC=C3,IPNRKCOTCYEPNT-UHFFFAOYSA-N
-4CDD9B28FF5BCAFB_E11308C1D6813EEB_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)Br)CC4,KNHAXKXPFXDYCG-UHFFFAOYSA-N
-4E74DF2ABDCFEDAF_4B51D9DE55FC21ED_6041_UN,CCOC(=O)C1=N[NH]C(=N1)NC2COC3=C2C=C(C)C=C3,OTDFFZXMUQERTR-UHFFFAOYSA-N
-4EF0056AF8791B12_33021041C5CA7097_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,ZTVNMNCLDWLSHT-UHFFFAOYSA-N
-506D2F7F2691F91E_68309292234CDBED_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3C[S](CC3)(=O)=O,VYSCTRQVDDTKPF-UHFFFAOYSA-N
-51917995480011F9_2C43CE896821885C_6028_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC=C(F)C=C2)(=O)=O)CC3,WZUWUDLGBRYARK-UHFFFAOYSA-N
-51DDE67C0042FB84_451D2B6814BA396D_6029_UN,C3=CC1=C(C=C(C=C1)C2=CC=CC=C2)[N]3[S](C4=CN=C(S4)N5CCCC5)(=O)=O,KARYTQNRCIINRO-UHFFFAOYSA-N
-526C50E28141B375_E7D313DF1C0427AC_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,WFOTZLIZCQFZMU-UHFFFAOYSA-N
-527294768FBE74B8_ED1DC71641140F5F_6031_UN,O(C(=O)C[N]1N=NN=C1C2=CSC=C2)CC3=CCN(C)CC3,KHSLXTNVJOVKBG-UHFFFAOYSA-N
-530266888360906D_F5AD86C7D6958A2B_6038_UN,COC1=CC(=NC=C1)CNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,SSJYZTDCDUUGRK-UHFFFAOYSA-N
-55F0A2460A730222_720600EBEAC8D7B1_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,ISTYVKZHBLUOBL-UHFFFAOYSA-N
-5693E431341DF978_9EDA08592C5ECDF9_6006_UN,C2(=C1C=CC=C(C1=NC=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCCC4,XAHZHNJXGTYZCZ-UHFFFAOYSA-N
-579BBAC2C76914FB_CDC00B242EBD8BDA_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NC3=C(C)C=C(C=C3)OC4CCOC4=O,FYLQVHAUFQNCNW-UHFFFAOYSA-N
-592E0C504D2EDC19_467DE8A1FBD45FCD_6029_UN,C3=CC1=C(C=C(C=C1)C2=CSC=C2)[N]3[S](C4=CC=CC(=C4)N5CC(O)C5)(=O)=O,VNNNCVYLRMEYMG-UHFFFAOYSA-N
-596E1D0597CB9434_1EC0D4011FFB09F0_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=C(Br)C=C3)CC4,ZAOUWYTWYJTDRO-UHFFFAOYSA-N
-59F7877FFCF807A0_80098468F0E56C88_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC3C4=C(OC3)C=CC=C4,WCYVDUGWNBLNMH-UHFFFAOYSA-N
-5A1478644FEF018F_DC5CFB4C6E50D146_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=C(C(C)C)C=CC=C3,CHBFLECFUFBGIY-UHFFFAOYSA-N
-5AAA9BA83E892CC9_58B391DDFF461FF9_6025_UN,C1(=NC(=NS1)Cl)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,YNYDKYSZDJKXBO-UHFFFAOYSA-N
-5C90C4CB08AAFF5E_427473B9C04B854F_6041_UN,C[N]1C(=NC2=C1C=CN=C2)NC4C3=CC=CC(=C3OCC4)C,AGZFGHOSEJIRKW-UHFFFAOYSA-N
-5D87A0E209311D61_22F70F0C92C86A04_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,PTTMNEXJRAVQPG-UHFFFAOYSA-N
-5DE837DE7B951D8D_77913DC9037E870F_6026_UN,FC1=CC(=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,PCRDIPCPLIBMCK-UHFFFAOYSA-N
-5E2678913AF97897_5DE7E541B83F9E87_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,XVJYSZJJTROLNY-UHFFFAOYSA-N
-5F70B795F0D3288F_B704D0045BCF9112_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C3[N](C=C(C)C=N3)N=C4)=O,OSSMHJWCCVQYSE-MRXNPFEDSA-N
-626EAEF5FA8CBD9D_81969E3B9BADB9BB_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCCCCC4,FWEIWEYTHNXRAO-UHFFFAOYSA-N
-62E40A798204BA17_B67840C6B1F8A9F7_6006_UN,C1(=NC=C(C=C1)OC2=CC=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,MJVJVPQPGUVIGS-UHFFFAOYSA-N
-63285D47C3BB1D68_9D1ED138BBA980FF_6038_UN,N(C1=C(N=CC=C1)[N]2C=NC=N2)C(C(NO)CC3=CC=CC=C3)=O,JUXITIUZVHYSLJ-UHFFFAOYSA-N
-6399F2F6E875FF08_9996687C739CE723_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N5C4=C(C=C(C3=CC=CC(=C3)F)C=C4)CC5,OVCGJLHJGJBLHL-UHFFFAOYSA-N
-66BD10BF4E5965C8_24A678FD590402E3_6035_UN,CC1=CC=C(C=C1)N3CCC(OC2=NC=CC(=C2)[S](=O)(=O)F)C3,FIZDTWFPZUGRAA-UHFFFAOYSA-N
-66C18341FE4E5790_5926B322494B44B6_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C#N)C=C3)C4CCC4,VMJQQRFLUHUWNS-UHFFFAOYSA-N
-67A3E06EF8FD0E42_6187DBC54E15E219_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C=C3)Cl)C)(=O)=O,MSPVAZRBFUESOO-UHFFFAOYSA-N
-680FF1A78121870E_250D148822BE40D4_6041_DP,CC2=C(C1=CC=N[N]1C=C2)NC(C(OCC)=O)CCO,YAFWKEPEHGSWHO-UHFFFAOYSA-N
-6DCA384708AF7AE9_40C9FFBC31D8EFD6_6029_UN,C1=C[N](C(=C1)C2=CC=CC=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,BMLURIYWTYNETF-UHFFFAOYSA-N
-6E3286565C839CF9_9A2EAB1EEFD189B6_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC3C(C)OC4=C3C=CC=C4,YLHBXPMTINZLDU-UHFFFAOYSA-N
-6FD34C499CBEE00D_FDDAFE1373389CF0_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=CC(=C3)C4=N[NH]C(=N4)C,XTDIQCNMWSLCFA-UHFFFAOYSA-N
-7047676B0D87AA2D_39A7E3932BF807CF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)N[C@H]4[C@H](C3=C(C)C=CC=C3)C4,DWNJDZRUEHBPKA-ZWKOTPCHSA-N
-722ABC5F1E4FDE7C_FD658807EBADA282_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,HVEJQRSVXONAKO-UHFFFAOYSA-N
-754802A65EB89B07_7AFB013DB7860B70_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4,KQRLZFRVZOEUPL-UHFFFAOYSA-N
-764EFFDE99253B98_380D3C3A2D765023_6041_UN,C1(=NN=C2COCC[N]12)NC(C3=NC=C[N]3C)C4=CC=CC=C4,SBAFNIVDLACXPG-UHFFFAOYSA-N
-76CA5ED7208AEDF8_0BA546410CA02B87_6035_UN,CC1=CC(=CC=C1)N3CCC(OC2=NC=CC(=C2)[S](=O)(=O)F)CC3,SAHNGACYZXTNAK-UHFFFAOYSA-N
-76F62D4DEEC4C34C_F17D5DE0958E0F4B_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=C(F)C=C3)C4CCCC4,BAALNNNTEIGLKS-UHFFFAOYSA-N
-777012DD3C44DA78_7A6E1825929F052F_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4,ZXDVAJRLCQQJME-UHFFFAOYSA-N
-79A08B9AD1FE80B3_B339E4314E6E871A_6026_UN,FC1=CC2=C(C=C1)N=CC(=C2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,QFENDZWQJSCGOL-UHFFFAOYSA-N
-7A34C84B53E9C56B_9AD3035EA21B22CA_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC3=C2C=CC=CC2=NC(=C3C)C,MCGCNWMBCCSKOZ-UHFFFAOYSA-N
-7F2C84B10BD21D92_4DDE97A8EE457D72_6026_UN,FC1=C(C=CC(=C1)C2CC2)[S](=O)(=O)N4C3=C(C=C(Br)C=C3)CCC4,ORBCKYOCMPBANX-UHFFFAOYSA-N
-7FE1626A1944F5E5_51BBAC2ECE2C3E31_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,IOCTYZAODXKFPT-UHFFFAOYSA-N
-8079668B7D0D9316_D8D9A625498F146E_6025_UN,C1(=NC(=NS1)Br)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,HVWPAJCNYLLGHP-UHFFFAOYSA-N
-8149CE70F01C876C_61BF3C0CE284F5D0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)N[C@H]4[C@H](C3=CC=C(C)C=C3)C4,ROJGJYSPCJBJIT-ZWKOTPCHSA-N
-8166CC4F047A1967_89F221D6AE6B405C_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(C=C2)OC3CCCC3)(=O)=O)C4=CSC=C4,YEXPXHULMPLQRG-UHFFFAOYSA-N
-83D4BE8B82AD6330_9498FBBDE47628F3_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCCC3=CC=C(C=C3)[S](=O)(=O)F,DCPBRVLEAHPPLE-UHFFFAOYSA-N
-8533F069B0ADC37D_B83788C0DE7A66BA_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C(=CC(=C3)F)F)C(C)(C)C,FXTIJDLTLSLCQL-OAHLLOKOSA-N
-85FF3B5DB97E767C_DB1FB9B5C3ACB306_6038_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)C(C[N]3N=NN=C3C(C)C)=O,MAAQMZJPEWGTLF-UHFFFAOYSA-N
-8860F0839BD5EEFD_5BACAE9BA7B70F83_6035_UN,COC(OC)C(OC1=C(C)N=NC=N1)CC2=CC=C(C=C2)Cl,DWKXYPIRFUCTBF-UHFFFAOYSA-N
-890EB5876F3F2185_A78683D63AA5E568_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC(C)CC3=CC=C[N]3C,WQEBPFSPECGNJC-UHFFFAOYSA-N
-8A55425E72BC7ED0_73F3E0965EA4DD92_6038_UN,N(C1C(CC1)=C)C(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,NQWVLFJOQIEJSB-UHFFFAOYSA-N
-8B1512B012EAAED9_6443C8D92CE09E2B_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,GWMDPUIOQVKNKY-UHFFFAOYSA-N
-8D74A050AE977EE7_7352DBA24005FF6E_6038_UN,CCCC(NC(C1=CC=CC(=C1C)OCCCOC)=O)C2=NN=N[NH]2,UTJIYDRNLYTRGJ-UHFFFAOYSA-N
-8FE72212ED7BB46D_86508A6637A17067_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N5C4=C(C=C(C3=CC=CC(=C3)F)C=C4)CC5,MPSKNNZZZDNNSV-UHFFFAOYSA-N
-9221A47828E6BC01_C03A2DE90D9EE577_7019_UN,CC(C)C3=NN=C(C=CC1=C[N](C)C2=C1C=CC=C2)[N]3C,VDVUFYXJLIBPJV-UHFFFAOYSA-N
-947ADC4274450016_95E868A3E9753365_6038_UN,N(C1=C(C=CN=C1)[N]2C=CN=N2)C(C(NO)CC3=CC=CC=C3)=O,SKMCPLMHAYYBOQ-UHFFFAOYSA-N
-94C24CFD55152D23_9BB5D076918278D8_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OCCC2)C(=CC=C3)F,FDTSIUVSLVJNBW-UHFFFAOYSA-N
-9506FF7264199841_1B10AA6D80B6B1DF_6041_UN,CN(C)C1=NC(=NS1)N[C@@H]3C2=CC=CC(=C2OCC3)C,SVPAUACKJKGJBQ-NSHDSACASA-N
-988A4E738A700524_715375A07423469C_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N4CC=C(C3=CC=C(C)C=C3)CC4,WSZZFZLVQITSDZ-UHFFFAOYSA-N
-99703D69DF34566E_735A92C95BEFC627_6041_UN,C[N]1C(=NN=C1C2=CC=CC=C2)NC3COC4=C3C=C(C)C=C4,APAURGJWOYGJQM-UHFFFAOYSA-N
-9A67096212A6C2D7_33284D6DD2C785A6_6038_UN,CN1CC(C1)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3,DDRSXVRXFAYALL-UHFFFAOYSA-N
-9A864C04D942948A_A85EB7999416760D_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC(=C(C=C3)F)C)(=O)=O,CGLUJALMRWJJIE-UHFFFAOYSA-N
-9AF9A19F34058023_1634EADE03B04D00_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3,GJTDYXNGNDYNGF-UHFFFAOYSA-N
-9D5680978BD95B7F_F25B24939624B726_6041_UN,C1(=NC(=NS1)C2=CC=CC=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,SGORXFHRZDXNSL-UHFFFAOYSA-N
-9E98F38D836F2C42_DCAF0D8FABAD865F_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)[N]4N=C(C)C=C4C)OC,OMWGVUIJJQGONM-UHFFFAOYSA-N
-9F3348D92BB23751_654FCB6163324C7D_6041_UN,FC2=C(C=C1C=CC=CC1=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,VNIIFQKVHNYNFW-UHFFFAOYSA-N
-9FF3E4FD7B457A32_CFD5842A13059FAC_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C5=C4C=CC=CC4=C(Cl)C=C5)(=O)=O,CGDBTEXUUDLEED-UHFFFAOYSA-N
-A00FE4791407C597_F585672855C5A36A_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,KKZDXLNLSPDSQB-UHFFFAOYSA-N
-A168DEFE8A088283_7E3B88B94312F804_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC(=C(C=C3)Cl)C)(=O)=O,QHDVIROXGJRVLU-UHFFFAOYSA-N
-A2B2917096F741E5_973CDB475E23EDCC_6026_UN,FC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,IDHMQELZDMNEJZ-UHFFFAOYSA-N
-A30CF88BBE9B7F43_700286E18AC4F23A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,QWVOASNNHLMZBQ-UHFFFAOYSA-N
-A350E8ACE33EDB15_D8EE3D9AF9A951F3_6038_UN,N(C1=CC(=C(C=C1)Br)Br)C(C2=N[NH]C(=C2)CCCCC)=O,DOHGOCZNCHFDAC-UHFFFAOYSA-N
-A38251DB78B7B3D0_BF226FD289D518B3_6041_UN,C[N]1C=NC(=N1)NC2CC(C)(C)OC3=C2C=CC(=C3)F,VOORVONHBPNEAN-UHFFFAOYSA-N
-A729EFC0233C9F41_1F559738DB2C5BAC_6035_UN,CC1=CC(=CC=C1)N4CC(COC2=NC=NC3=C[N](C)N=C23)OC4=O,ROEFQHCGUKBIFK-UHFFFAOYSA-N
-A80E736FAA804F9C_06FA74B62706D08D_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,HEHXJTAAOPUOCD-UHFFFAOYSA-N
-A968DA6CFD74D021_F03ED7AE91B2AF99_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(OC3=NC=C(Cl)C=C3)C=C4)(=O)=O,RMPSHYMSHWTBLV-UHFFFAOYSA-N
-A9A9CA3F8CBB9A08_77604ABDE2494627_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C)C=C(C=C3)OC4CCOC4=O,CFFVZTDMGKXNQZ-UHFFFAOYSA-N
-A9AF2E0C7E99FB6B_353F203E1C845053_6038_DP,N3C[C@@H](NC(C2=CC=C(C1=CC=N[N]1C)C=C2)=O)[C@H](C3)[N]4C=CN=N4,BRPKHAQEVQGCHU-ZBFHGGJFSA-N
-AA258D31BB8C975B_21854F4FCF58B19B_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N(C3=CC=C(Br)C=C3)C4CCC4,KMYWLPHNJCFDNW-UHFFFAOYSA-N
-AA905A4DB0D44438_4FA31D8E62C78198_7013_UN,N2=C(C1CC1C(C)(C)C)[N](C3=C2C=C(C=C3)F)C4CC4,UNVWJOFEPXCCQF-UHFFFAOYSA-N
-AAA3C0E2B8B3E770_48B7A7D19AF655A3_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=CC=C(Br)C=C3)C4CCC4,HOUAULKPEQYGTH-UHFFFAOYSA-N
-AAABDA6E5C8A9317_F11F456CF414D795_6041_UN,C1(=CC=C(C=C1)C2CCCC2=O)N[C@H]3[C@H](OC)CCOC3,WYSDMQYFQUDAGJ-HOSQGPGDSA-N
-AAE2C9D705DB209D_F4B3D102AA173F78_6006_UN,C1(=NC=C(C=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,SPQRQUGKZXMMFS-UHFFFAOYSA-N
-AB483B9FB0BC5B59_5B079AAAC34C02E2_6041_UN,C2(=C1NC(NC1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,HAGRBUPYIWWEBO-UHFFFAOYSA-N
-AB9DDD8F842EBA43_B8E83342D9DDAEFE_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4([S](C)(=O)=O)CCC4,LEFZODNKONZYLZ-UHFFFAOYSA-N
-ABC5C9BE184B00A9_64D869CFC40D60AF_6041_UN,CC4=NC1=C(C=CN=C1NC3C2=CC=CC(=C2OCC3)CC)[N]4C,INHGDHIKUXMFSW-UHFFFAOYSA-N
-AC2670AE6BF65AAE_52CA02C8A62AA6F0_7019_UN,COC1=C(C=CC(=C1)C=CC2=C(N=N[N]2C)C3=CC=CC=C3)C,WFLUYCRIJGUCLE-UHFFFAOYSA-N
-AC8774B0B37469CE_7F085712E0102421_6038_UN,CC1=[N](C=C(C=C1)OC(=O)C2=C[N](C=N2)C3=NC(=NS3)C4CC4)=O,LJFICYKSQZTPTL-UHFFFAOYSA-N
-AD1DF38890F0FC66_41B8001415F50453_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC[S](=O)(=O)O,CXFILXZOZOXHDP-UHFFFAOYSA-N
-B036FBE91D45E82C_896E40AC5BB249C3_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3F)F)C(C)(C)C,KCRMBEXWVUEOMR-CQSZACIVSA-N
-B10EACF9A5D73F59_4433F8B63B73B7BA_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3(C)C[S](C3)(=O)=O,ONDGZFOUCXCNIY-UHFFFAOYSA-N
-B4D64E6432D9AA83_B60F71F8038D368D_6029_UN,C2=CC1=C(C=CC=C1)[N]2[S](C3=NC=C(C=C3)OC4CC4)(=O)=O,WCJXYCVYOMSCIA-UHFFFAOYSA-N
-B6046525BDE12150_90D564BDA81A685A_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC2CCC(C)(CC2)C3=CC=CC=C3,IEKWXELXBIUBIO-UHFFFAOYSA-N
-B86B589A0263CB84_46CBE6D387CE629B_7019_UN,C([C@@H]1CCC(=O)N1)=CC3=CC=C(C2=CC(=CC(=C2)C)C)C=C3,XCIGDHVLBGZACE-LJQANCHMSA-N
-BA63B47593620E22_DCB818F016FB576B_6041_UN,COC2=C1C(=NC=NC1=CC=C2)NC3C(OC(C)(C3)C)=O,DCQWUNUCQAYLGD-UHFFFAOYSA-N
-C07401D3A2DC4446_D049CEC3EE64E1C9_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,ZJXLWTVZYHSBPC-UHFFFAOYSA-N
-C093450FA799CB7B_BA384E88AE938FF9_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,IMRPUTRTFYFWDI-UHFFFAOYSA-N
-C0AF3351852E7718_D79DB7DCB2FBA5DE_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,GJUYQKHWHRQXBC-UHFFFAOYSA-N
-C15046B94CB5F912_A1EAF26B8DF8BCE3_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=CC=C(F)C=C3)C4CCCC4,DJNHCGJIVNZYDR-UHFFFAOYSA-N
-C20C740FE17D0776_556B510A8E98B89D_6041_UN,CN(C)C1=NC(=NC(=C1)C)N[C@@H]2C3=C(OCC2)C=CC=C3,DPGRIBICBBMVKO-ZDUSSCGKSA-N
-C26C9FDE5A5D1700_3D8D513B42F17A6B_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CCCC3)C4=CC=NC=C4,XWAHEGQRTKCRJE-UHFFFAOYSA-N
-C28198944C40DFF6_6360EFD7AE36A7AC_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@@H](C(C)C)C#N)C=CC=C2,XQNBHKUPCYYNDV-CYBMUJFWSA-N
-C79758B069C86E25_F588C4B36B1AC54D_6035_UN,C[Si](C)(C)C#CCOC2=CC=C(C1=NOC(=N1)C)C=C2,FHWWGTZLGPGXLV-UHFFFAOYSA-N
-CA0BD31EB9C8ECFF_B2D49567832415E8_6038_UN,CC(OC(=O)CC2=C1C=CC=C[N]1N=C2)C3=NN=N[N]3C,IWDYOMXWKKEZTD-UHFFFAOYSA-N
-CBEE5747C377D3C2_564FEDDA7EC5DF2F_6038_DP,C[C@@H](NC(=O)COC1=CC(=CC=C1)[N]2C=NN=C2)CO,BFCRWOCSDJXUQC-SNVBAGLBSA-N
-CC023DBDD316945D_DF44E81687D6C2F4_6026_UN,FC1=C(C=CC(=C1)C2CC2)[S](=O)(=O)N4C3=C(C=C(Cl)C=C3)CCC4,URKZPWHNTMGZNO-UHFFFAOYSA-N
-CD3BBD7012ACABCB_EC0290577678B6F6_6038_UN,C[N]1C(=CN=N1)CCNC(C3=CC2=C(N(C)C)C=CC=C2S3)=O,KVJPNJCKSRJHMI-UHFFFAOYSA-N
-CDD7367F50095E13_29D9BAD03B5FF9BC_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)C3=NC2=C(C=CC=C2)S3,QQZSLGSNSWEULZ-UHFFFAOYSA-N
-CE608C753643D7E8_EEDF7177D443D0F2_7013_UN,CC(C)[N]2C1=CC=C(C=C1N=C2C=CC3=CC=C[N]3C)C,IIFVAOVTDLFRRV-UHFFFAOYSA-N
-CE71D2B1286E32BB_233AEBC61185ABB1_6005_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)Cl)C2=CN=C(C=C2)N3CCCC3,IILACFHCFQFXAF-UHFFFAOYSA-N
-CEDE087BC4501847_C931EAD136C9C161_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)F,PVAKTLIDELFUEM-UHFFFAOYSA-N
-CEF08C4B0BA19880_6A13A493A5B71A40_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=CC=C(F)C=C3)C4CCC4,CMCHZTJPWGNAKS-UHFFFAOYSA-N
-CFB874943676C751_057F6F68D83B25D4_2201_UN,CC(C)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3,VYWWTCJZWOVCFT-UHFFFAOYSA-N
-D337A5FF6925F069_73694A63A9921602_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C(C)N4CCOCC4,UHRGGJWVRHBFAA-UHFFFAOYSA-N
-D603768277FC68FF_3287D06571977F0F_6038_UN,N(CC1=NC(=N[NH]1)C2=NC=CC=C2)C(C3=CC(=CO3)C(OC)=O)=O,YNRUYWLQWNCLQU-UHFFFAOYSA-N
-D7BD4759C1B9F6FE_FB247503ADD60766_6038_UN,CN(C)C1CC(C1)OC(=O)C[N]2N=NN=C2C3=CSC=C3,JZKIVAOEIZYRFA-UHFFFAOYSA-N
-D87D04A79231616C_FF5247819ADE98B2_7013_UN,N2=C(C1CC1C(C)(C)C)[N](C3=C2C(=CC=C3)F)C4CC4,CSZSDGYSEDERBW-UHFFFAOYSA-N
-D8C13B3C7D232035_1A43CE6A39B017F2_6041_DP,FC1=C(C=CC(=C1)NC2=C(CO)C=CC=C2)C3CC(=O)C3,FZVFAUCSEODKLE-UHFFFAOYSA-N
-DC03F942D98E78EB_E6D2741FC3593CD3_7013_UN,CC[N]2C1=CC=CC=C1N=C2C3=C(C)C=CCC3(C)C,LRKZEUYPTGSUDP-UHFFFAOYSA-N
-DC709D1F8C6C8890_E2CC51CCDCE9AAE3_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OCCN4CCCCC4,IUBVYYRGMGPEFO-UHFFFAOYSA-N
-DDAD406956602076_E54BF94071733EE7_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3,NQVNEPWBCVQLJG-UHFFFAOYSA-N
-DF1CFE1411CFDB3C_CE886D3D95272548_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,REMDUNNFFBGLLV-UHFFFAOYSA-N
-DF73CA9A04C16263_68205E7A96A3390B_6034_UN,CC1=NN=C(N1CC2CCN(C)C2)C3=C(C=CC=C3)Br,GEWHZFOVUPZTBR-UHFFFAOYSA-N
-E2F474278DB68E4D_90897B8820E9481F_6038_UN,N(C1=CN=C(C=C1)[N]2C=NC=N2)C(C(NO)CC3=CC=CC=C3)=O,AIEKCGNCLAONMZ-UHFFFAOYSA-N
-E596F921C3666B6F_DC1C64A0936B52F4_6026_UN,[S](=O)(=O)(C1=C(C=CC=N1)Br)N2CC(C2)OC3=NC=CC=N3,MNMYIKRIGCCXGU-UHFFFAOYSA-N
-E5E8D9D5EF0A0030_5977E57507389894_6034_UN,CC(C)N1N=C(C)N(C1=O)CC2=CN=C(N(C)C)C=C2,DFFCMAYTTXWZJE-UHFFFAOYSA-N
-E843B6CA3C1ECC98_FB0C5732F1CF4E54_6039_UN,O(CC(F)(F)Br)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,ZFQPKNHZAXVKCD-UHFFFAOYSA-N
-E85A963231294D9C_067FBF2433274EE0_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(CC)[N]3N=C(N=N3)C4=CSC=C4)=O,XEAAGEOJKSGYIS-UHFFFAOYSA-N
-EA141016759560B4_14482E1DCAE03E28_6041_UN,CC(C)[N]1C(=NC=C1N[C@H]2C4=C(O[C@@H](C2)C3=CC=CC=C3)C=CC=C4)C,SHGKWMHGOVYFAW-CTNGQTDRSA-N
-EBA569EC5E1317B1_D506BA5089120C92_6038_UN,CCC(NC(C1=CC=CC(=C1C)OCCCOC)=O)C2=NN=N[NH]2,LNWZSWWNBOXCGM-UHFFFAOYSA-N
-EBA62C98FB0299C3_B160D67A2ABEE328_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,GLJXUQSZPVFBEM-UHFFFAOYSA-N
-ED52BE5CBC42058D_A8ECEF9B1D794A56_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCC(C)(C)C=C3,RHFZOVFXMNNUQK-UHFFFAOYSA-N
-EE123A1DDF65B6E8_7ADBF09B1F4D74B9_7019_UN,C[Si](C)(C)C1=CC=C(C=C1)C=CC2=C[N](CC(C)C)N=N2,OQKWDOBWRFBWBL-UHFFFAOYSA-N
-EE855E35610B7C5B_5FC93B7854DA3D38_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCN(CC3)C4=NC=CS4,LQHBWSFATQQPPL-UHFFFAOYSA-N
-F07EEDA3D23140FD_BE65A83837992705_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)C=CC=C4,PRKANYZTCPQTNH-MRXNPFEDSA-N
-F0FC1C53114BB2BF_B8ADAF53E5E51A3F_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4CC[S]4(=O)=O,YRXZTSUMFHKBJJ-UHFFFAOYSA-N
-F1863B2C4584D73C_D5C31D46FC44B59E_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)OC(F)F)(=O)=O,CBDJEQAWIAMTLC-UHFFFAOYSA-N
-F227DCC98D75FCDB_1EAC2B7E75B7CA31_7013_UN,N2=C(C1CC1C(C)(C)C)[N](C3=C2C=CC(=C3)F)C4CC4,SOBHSYIYVUDHIK-UHFFFAOYSA-N
-F2C75179D7BE3F56_A4B5310505383D63_6029_UN,C2CC1=C(C=CC=C1)N(C3=C2C=CC=C3)[S](C4=C(C=C(F)C=C4)C5CC5)(=O)=O,VJQAEBHCQGSZIN-UHFFFAOYSA-N
-F3E1078972002563_5BC89FC91154FE94_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4,AELRYEMACFORFH-UHFFFAOYSA-N
-F5C7C618A736576D_DBECAEF9E5C547A6_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,FQWWOWQVYSYYRQ-UHFFFAOYSA-N
-FA1266968BDB6503_85B3682101D67533_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)N4CCCCCC4,PCRJBABKAVAWKC-UHFFFAOYSA-N
-FA2217F99816CCBE_7723F794DDBE9A91_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NC(C)C4=NC=N[N]4C,KUAAKXBDGQFZQH-UHFFFAOYSA-N
-FA57745C967DB899_0C9B6454041AE0C8_7013_UN,N2=C(C1CC(C(C)(C)C)C1)[N](C3=C2C=CC(=C3)F)C4CC4,UBENJGYGSXAKDZ-UHFFFAOYSA-N
-FA8C8E5173BE63F6_1763F6FCA42CD029_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(SCC2)C=CC=C3,RBPSLSUNQGVZJX-UHFFFAOYSA-N
-FAACEC80FE17660E_B9F8EBF3817DA3B1_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC(=C(C=C4)C)CC)(=O)=O,COVCQMQQPHLMPO-UHFFFAOYSA-N
-FAEC27B1A3530FC6_ECC89E38E2FF3A8A_6041_UN,CN(C)C1=NC(=NS1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3,UHLLEMBROMDBRM-MWLCHTKSSA-N
-FBE78FFF0B766B89_F6AFDD950EB16246_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=CC(=C3)F,VIRKDPFPIKPACS-UHFFFAOYSA-N
-FD4453AFC9B739B1_C7ED31E69DEA80C4_6035_UN,CC1=CC(=CC=C1)N4CC(COC2=NC=NC3=C2[N](C)C=N3)OC4=O,WKTCMLBZBLJTLM-UHFFFAOYSA-N
-FFB5C21B08D559F0_73F3AEE978E4DABC_6041_UN,CN(C)C1=NC(=NC(=C1)C)N[C@H]2C3=C(OCC2)C=C(C=C3)F,PSJYTUHMXUZWND-CYBMUJFWSA-N
-FFEB80A5BD0330CD_035562E596B3EB22_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC=C(Cl)C=C2)(=O)=O)CC3,MZLNZMMOTUZLCE-UHFFFAOYSA-N
-FFFCA8111F0895DD_F20B841A1FFC35D0_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC=CC(=C4)CC)(=O)=O,XZMJWBWIWSSRKL-UHFFFAOYSA-N
-00C2FB58BF19CF33_4560DC05BF01C69D_6029_UN,CC1CC(CN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=C(C=C4)C,IHKQWCRTUBSLRZ-UHFFFAOYSA-N
-01B848FB26618616_C5A1128947AEB1D5_6038_UN,CC1=NN=N[N]1C2=C(C=CC(=C2)NC(C(OC)(C)C3CC3)=O)C,CLGMIKYPNXNEGP-UHFFFAOYSA-N
-0246C469176B743F_2E0FB2C442556503_7019_UN,C(CN1C(=O)CNC1=O)=CCC2=CC(=C(OC)C=C2)OC,AFVOAPHIOPKOSQ-UHFFFAOYSA-N
-03B00003BE29CFC2_D5B8EB4C63405581_6029_UN,C1CC(CN1[S](C3=CC=C(C2=NC=CC(=N2)Cl)C=C3)(=O)=O)C4=CC=CC=C4,MLHUTAJBYKLSMW-UHFFFAOYSA-N
-0483B3F30E908E27_F54316108BB9E9AB_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=C([NH]N=C3)C4CCC4)(=O)=O,NTQIREMVIIJRBS-UHFFFAOYSA-N
-04C4A3B4767D289A_E813FA0FBDB8DA77_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2N[C@@H]([C@H](CC)C)C(=O)N(C)C,YFRJDKYAQDGYQY-QWRGUYRKSA-N
-054B24AD09134B77_B6780396DB2C34E5_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N(C4=CC3=C(OCO3)C=C4)C5CCCCC5)I,MOHAKMZQZUABPX-UHFFFAOYSA-N
-063E4A7D511FE8B5_0A5B7AF447364BF6_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(N=C4)[S](=O)(=O)C)C,JCOQTEYWDVLVJG-UHFFFAOYSA-N
-07CF6ED3E60BED45_F9EBA73184A3A9DD_6038_UN,CCOC(=O)C1=C2[N](C=N1)C3=C(C(N(C2)C)=O)C=C(OC(C(N(C(C)C)O)=O)=O)C=C3,CEZPCYSTVGXPKV-UHFFFAOYSA-N
-0834ED923F5E7258_DADDBEC0B74CFED5_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)[S](N(C)C)(=O)=O)F,KPGDFCPEDXBHIO-UHFFFAOYSA-N
-09FC754C679C10A3_491AE559599823BE_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC(=NC=C4)[S](C)(=O)=O,ZGQQXFOYNDKODD-UHFFFAOYSA-N
-0A8936DD0368AFDE_013EAF21BD01DF7D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC[S](=O)(=O)N4CCCC4,DCRZWQMMCPKTDQ-UHFFFAOYSA-N
-0ACEFEE485102B7B_0CBDD552FCC6D61A_6041_UN,CC(C)C(=O)C1=C(C=CC=C1)N[C@H]2[C@H](OC)COCC2,BQJZJTLBLRVROR-HUUCEWRRSA-N
-0AEA97ACA8080CD0_6CA6683281FA8460_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,QTGWIBAKJHLZFF-UHFFFAOYSA-N
-0B195FB8202553D4_363B9BE60DB7F10D_2267_UN,OC(=O)C1CC(O)(C1)C#CC2=CC=CC(=C2)C3=N[N](C)C=N3,NQUQXCKZIUNOQZ-UHFFFAOYSA-N
-0BE3336D3853FF3F_DB0AB997FDFE4EE0_6029_UN,C1C(CN1[S](C3=CC=C(C2=NC=CC(=N2)Cl)C=C3)(=O)=O)OC4=CC=CC=C4,HPCZDUIQMPAEET-UHFFFAOYSA-N
-0CA619405E0219AE_23C62F818B432FDA_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=C(C=C3)[S](=O)(=O)N4CCCCCC4)F,UGQHTEDBBODZOO-UHFFFAOYSA-N
-0D07B757C8BCAAF2_0E53BC65FF50653A_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CC(=C(C=C3)[N]4C=NN=N4)C)=O,DXSBDSUUEUMTCN-QGZVFWFLSA-N
-0D247D29132FDBFE_D093CF4B130D276E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC[C@H]4CC[S]([C@H](C)C4)(=O)=O,IGGUIAWHRZLYJX-KGLIPLIRSA-N
-0DE41EF4ED733369_E8B538E3E3B8564C_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,HPILNYBDCVNEIX-UHFFFAOYSA-N
-0EC6EA3C39147FAA_58649D9089576B54_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)C5CCCC5,PPFYUQVAUIWAQB-UHFFFAOYSA-N
-10742D4ACAD40610_4A6AB97821239066_7019_UN,CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC3=C(C)C4=C([NH]3)CCCC4,HASNSGWEYTVYSW-UHFFFAOYSA-N
-108BA3BDEB2099D3_ABC2C1EE5287CD92_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C)N=NC=C3)=O,XYCIRFLWIUDRKL-AWEZNQCLSA-N
-1159777A3E4A5525_F17BA5DF8255565A_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,NKPNIWOKSYGZTF-UHFFFAOYSA-N
-12B26336398BF5E7_3A046C16E3268542_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC5=CC=C(C4=NC3=C(C=C(C)C=C3)S4)C=C5,WBZZSDINKYYCEQ-UHFFFAOYSA-N
-1584ACC136C2C97E_B78F2C4375FD187E_6028_UN,C1N(CCN(C1)C2=C3C(=NC=C2)C=CS3)[S](C5=NN=C(C4=C(C=C(C)C=C4C)C)O5)(=O)=O,TZFHBGSFESDYOS-UHFFFAOYSA-N
-1676B3E132AF24DA_74CD17E814719135_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)N5CCCCCC5,LQSCVUFBMAHKJE-UHFFFAOYSA-N
-178BEA78F66E1259_1181E1EC63FA3776_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4)F,IZUYZTWDDZODBG-UHFFFAOYSA-N
-17F1EACC83A3EC47_701679CE7C15CD8E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC[S](C4=CC=C(C(C)(C)C)C=C4)(=O)=O,CQERNIZEPCMBPC-UHFFFAOYSA-N
-18234CC23094D130_E4661B4C49707A95_6004_UN,OC(=O)C1=N[N]4C(=C1C2=CC=CC(=C2)[N]3N=C(C)C=C3C)NCCC4,QVEPOLLASZEKPQ-UHFFFAOYSA-N
-19E0A29C216D9F8C_FEA5BF1A74CBC200_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)C5CCCC5,GXETXFCACLKYAL-UHFFFAOYSA-N
-19E8D7B4D2E2E225_429178D731C51FB0_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,XMWVWZLULCJADT-UHFFFAOYSA-N
-1A11ADA020A6D0FE_CA1EC4045F9FD2B0_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O,GFTNRKGPOWWYMZ-UHFFFAOYSA-N
-1A5A4A91EABD1F23_FF7CC873FFC8D4C7_7019_UN,FC1=CC=C(C=C1)N3C(=NC2=C(C=CC=C2)C3=O)C=CC4=C(C)[N](N=C4)C5CCC5,VGAZHIKWSWEWQH-UHFFFAOYSA-N
-1AE623012D6C0A67_ACD874A162D55DAF_7019_UN,CC(C=CC1=C(OC)C(=CC(=C1)Cl)Cl)C2=CC=CC=C2,WDINGSLXBITKDP-UHFFFAOYSA-N
-1AF02F25C10F5A4B_09A3DE9281C6E1CE_6031_UN,O(C(=O)C1=NN=C(Br)S1)CC3=CC=C(N2CCN(C)CC2)C=C3,HBYXDFHSWZAECH-UHFFFAOYSA-N
-1D515240000646FA_479B4E509BA2E175_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=CC(=N[NH]3)CCC)=O,BZUVOGAJYRJLRM-UHFFFAOYSA-N
-1E51C3994A876CA9_930D8578C4767911_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=NC(=CC=C3)OC4CC4)(=O)=O,VURGLEQMMCTXAW-UHFFFAOYSA-N
-1F2424389587A69C_ABB77650CFA99F4A_6038_UN,C[Si](C)(C)C#CCNC(C2(C1=NN=C(C)[N]1CC2)C)=O,XZSSDUZQMHBQRR-UHFFFAOYSA-N
-1F75469DDA5AAFBA_E51C441C307D4049_6029_UN,C1=CC(=N[N]1[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=CC=CC=C4,YWXLKLZTSOCMBD-UHFFFAOYSA-N
-2061A4D6A7A80FDF_07A3FCA98183376B_6039_UN,O(C2CCC1(CC1)CC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,YPTZKEWBZHAMKI-UHFFFAOYSA-N
-23BB04B76CE659F0_93B7C8BD9CEC32DB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC(C4=C(N3CCN(CC)CC3)C=CC(=C4)F)C,LDPOCYOLJDZFNC-UHFFFAOYSA-N
-23D10C30A849DE12_B4520651C4CD1AE6_6028_UN,BrC1=CN(N=C1C2=NC=CS2)[S](C3=NN=C([N]3C4=CC=C(C)C=C4)N5CCCC5)(=O)=O,RLDOPFQZGVIKJQ-UHFFFAOYSA-N
-24F95BD9071BDEFE_3C96DB3A819C4884_6041_UN,OC(=O)C1=CC(=NC(=C1)NC2=C(C(C)C)[N](N=C2)C3=C(C=CC=C3)C)N5CC[N]4C=CN=C4C5,ZEUCYNUAWQMJJG-UHFFFAOYSA-N
-250E032230EF6EC0_E08C61F5CE859BE9_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC4CCN(C3=CC=C([S](CC)(=O)=O)C=C3)CC4,HXAYLCFYUXLZIW-UHFFFAOYSA-N
-25CE4455932AA9C5_DC31EEC4B4174DE8_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=C([NH]N=C3)C4CCC4)(=O)=O,UVUBDUBJJOLVNH-UHFFFAOYSA-N
-26201C1A10EAB8F0_491BB4B4B4A3CC2B_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCCC3)C=C(C=C4)F,MJLCYKSJWWRJBW-UHFFFAOYSA-N
-264AC743FB726000_70356ACF261B20C7_6038_UN,O(C1=CN=C(C=C1)F)C(C3(C2=C(C)C=CC=C2)CCCCC3)=O,NEFWNGRGTNMBIH-UHFFFAOYSA-N
-28DCF9F7F40893E6_029EF587792ACABF_6029_UN,CC1CN(CCN1[S](C3=CC2=C(N=C(Cl)C=N2)C=C3)(=O)=O)C4=NC(=CC=C4)C,BNUTUPUBSRLJQH-UHFFFAOYSA-N
-29E3FEC7AA622984_9E4B669C058C8BE0_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3C2=C(C=C(C)C=C2C)CCC3)[N]4C=NN=N4,WBQNUGQNBMBUBH-UHFFFAOYSA-N
-2A31A4D8B8A401E6_993DD5C0FDEAE260_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N4CCC(C)CC4)(=O)=O)C=C5,PYOQDYNVDWZKPP-UHFFFAOYSA-N
-2B48DEC687F61036_7D00D33FF6B6EFB4_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)C=NC(=N2)N3CCOCC3)=O,WIJVXRPGZPCRQD-UHFFFAOYSA-N
-2C7A32F41FED59DA_320C22CB74227B6A_6029_UN,C1CC(CCN1[S](C2=CC=C(S2)C3CC3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,PBJKFUPPNQMFOQ-UHFFFAOYSA-N
-2CA8FAB49E21438D_B580DBFEA9F7E916_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,ILZUJMBNXJUCEN-UHFFFAOYSA-N
-2D508C9EE53CA736_6D26B7DE8BCF3387_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C4=NC(=NS4)C5CC5)(=O)=O,HSMRNAOWGMOUCZ-UHFFFAOYSA-N
-2DEE239F4EF171F4_BA0BA0D673B010D1_6028_UN,N(CCC1=C(C=NC=C1Br)Br)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,MAYXVQVMZKEPRP-UHFFFAOYSA-N
-2E711027E70FCCC4_8B1219538AE0FB45_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,QPBAWSZLMXSHRV-UHFFFAOYSA-N
-2EDD498AD4DBF632_B7B387E62E6DEBC1_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3ON=C(C(C)C)C3)=O,QSEPNZBNFLDTOM-IURRXHLWSA-N
-300F3DB49D939CD6_12C3B8F8F03A3AFB_6029_UN,C1CC(CCN1[S](C3=C2CCCC2=C(Cl)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,QDRGZCXPWFRHIP-UHFFFAOYSA-N
-3045F3F956DB5715_BD9E38ABD53698FC_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=C(C=CC(=C2)[S](C)(=O)=O)F)[N]3C4CCCC4,KHZWKCBXYHWPMK-UHFFFAOYSA-N
-3271C7DB6BDB2D30_48C06A43C6856A82_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C(C(C)C)[N]3N=CN=C3N=C4)=O,SVWKVECLTTZEJH-INIZCTEOSA-N
-33609D4B04666FB7_A6726A83B097ABB8_6029_UN,N(CCC1=C(C(=CC=C1)Cl)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,AFVXEZUTSBGIAV-UHFFFAOYSA-N
-33BE2D7048865A7E_6F791C5AB3248A93_6029_UN,OC1=CC2=C(C=C1)CCN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,QNGSHINXCULYNN-UHFFFAOYSA-N
-3438DE8D962B2544_C5F8B251D376355E_6038_UN,N(C1=CC=C(C=C1)F)C(C2=N[NH]C(=C2)CCCCC)=O,IHZYYFMOYUFKCK-UHFFFAOYSA-N
-34897953E74E14DD_6457A69B575A7180_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3=C2N=C([NH]C2=NC=C3)CC4CC4,RFLFLSRAFBBEOA-UHFFFAOYSA-N
-34AB7DC6FFB91984_438EE0C965041E2F_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC2(CCCCC2)CC3=CC=CC=C3,ANPHGBMZKFFWBI-UHFFFAOYSA-N
-35795304A69F7247_9E4CC15F1EC06BBD_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)C5CCCC5,ZVPUKZYNPJJACN-UHFFFAOYSA-N
-35A501AEEA648A88_48415D5F68D87216_6028_UN,CC1CN(CCN1[S](C3=C(C=C2OCCOC2=C3)Cl)(=O)=O)C4=NC(=CC=C4)C,WVOWSXSJNKEYHP-UHFFFAOYSA-N
-35F28CD9EDCB7284_9124F4891DAC414E_6026_UN,ClC2=NC1=C(C=N[N]1C=C2)[S](=O)(=O)N5CCN(C4=CC=C(SC3=C(C=C(C)C=C3)C)C=C4)CC5,NPTTWWYZJZACKP-UHFFFAOYSA-N
-36C5E90156666166_3141FEE73F3DB9CF_6028_UN,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C3=NN=C(C)C=C3)(=O)=O,BIVXYXSSBAKUID-LSDHHAIUSA-N
-3872988233E83E86_9CA6022AE55DF4CF_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CN=C(C=C2)N3CCCC3,LAQLQLHEXGMAJM-UHFFFAOYSA-N
-3975EF8B0274C951_9D2E75B096DCF0B5_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(OC)C=C3)N4CCCC4=O,BIVGUFUOCCYROJ-UHFFFAOYSA-N
-3ACE62807B4E41A9_961F5BAA3A043654_6028_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,AVSSZDHQIUUEGS-UHFFFAOYSA-N
-3ACE62807B4E41A9_E912B5FCF284BECD_6029_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,AVSSZDHQIUUEGS-UHFFFAOYSA-N
-3B5DE51F2F238A2E_29DEBA4B0AF340F6_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC3=CC=NC(=N3)N4CCN(C)CC4,AWSZUIRNAMNYJL-UHFFFAOYSA-N
-3BC0FF3D18A44BA3_6472F2763C28298A_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2F)OC,UCYYAKNPSGCZFM-UHFFFAOYSA-N
-3BE75ABD3F224B31_FDDF9F3A69BA8F3D_6038_UN,CC(C)C1=NN=C(COC(CCCC(N(C)C)=O)=O)S1,DZGQQODRUOSKJZ-UHFFFAOYSA-N
-3CD119B2745A575A_C96B6FFA37F4F90A_6035_UN,O(C1(CCC(=O)CC1)C2=CC=CC=C2)C3=C(C(C)=O)SC=C3,LGFKSRGUHHLFNW-UHFFFAOYSA-N
-3CE172C335720A63_5F8A9D4CC9CA81FB_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,FDUJRYZRWHQMNG-UHFFFAOYSA-N
-3CEB015D51DC2945_F67D03090DD24BBD_6029_UN,C1C(CN1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=NC(=NC=C4)C5=NC=CC=N5,DWRAMKUPVZSLTM-UHFFFAOYSA-N
-3DA3EC48D74DB8D6_21230105E6B117DC_6041_UN,OC(=O)C1=N[N](C2=C1CCC2)C3=CC(=CC=C3)NC4=C(C)[N](N=C4)C[Si](C)(C)C,ZBLGGUUSZIIFID-UHFFFAOYSA-N
-3E8117A1351D0EE3_EE43BB58B7BAE684_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)NC3=C(N=CC=C3)C4CC4,NQLCLRVXRWIFRK-UHFFFAOYSA-N
-3E90B8E525B7F85F_58B0F7CBE6D687A4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](C(C)C)(=O)=O)C=CC=C4,WZTASTDGYURSPZ-UHFFFAOYSA-N
-3EFBC60DB76C77E0_5B220E2C74F8CC74_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)N=C(N=C2)C3CC3)=O,YWWXDHPXVQFXEX-UHFFFAOYSA-N
-3FE4A6FF2BBCD5F7_31885D4C2D904EAA_6029_UN,OC(=O)C1=C[N](C=C1C2=C[N](N=C2)C3=CC=CC=C3)[S](C4=NN=CC(=C4)N5CCCC5)(=O)=O,OJEYEJVDABINKO-UHFFFAOYSA-N
-40AB64CE143E2256_BC0C17166F0C9706_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CCCC3)C4=CC=NC=C4,KJNHHERIGBWAPS-UHFFFAOYSA-N
-411A5BE6981C3D25_0F53B31F7BEBC62E_6038_UN,CC2=C(NC(C1(C(OCC)=O)CC1)=O)C=N[N]2C[Si](C)(C)C,JULAZDXJNUGORI-UHFFFAOYSA-N
-41B677AAF84EE4C9_D4EEC223DC855ADD_6038_UN,OB1OCC2=C(C=CC=C12)OC(C3=N[N](C(=C3)C(C)C)C4=CC=NC=C4)=O,RRKGCLSBZLOJTQ-UHFFFAOYSA-N
-428DE0E38EC85205_AD256C7A801E03C7_6029_DP,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,AKBJFBRXIJWNDH-UHFFFAOYSA-N
-43A11831AB2F6FE2_2594297275638F3E_6038_UN,OB1OCC2=C(C=CC=C12)OC(C4=C(C3=NC(=NO3)C(C)C)C=CC=C4)=O,XMLISMMOFHOMBE-UHFFFAOYSA-N
-45A8D41132A01934_BBFC27D99AE634C7_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C(C=CC(=C2)[S](C)(=O)=O)F)[N]3C4CCCC4,UIUIQCNSUAQEPV-UHFFFAOYSA-N
-475049FD512249A0_7FBA28E416382D1A_6029_UN,C1=N[N](C=C1C2=NOC3=C2C=CC=C3)[S](C5=C(C4(O)CCCCC4)C=CC=N5)(=O)=O,YHXLLKWIQBJNHF-UHFFFAOYSA-N
-482C01A2F2E9BC12_908296964831FC07_6041_UN,CC(=O)N2CC[N]1N=CC(=C1C2)NC3=C(CCC)[N](N=C3)C4=C(C=C(C(=C4)F)OC)F,GBQDLTAUVBBHLK-UHFFFAOYSA-N
-4869B3F1DCB90A31_3802957B2DD92B14_6041_UN,C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)NCC(CCC)=O,MNYPVYZXVZXXDN-UHFFFAOYSA-N
-4AAE423D4E8F3BAF_64150A8375E7F6D2_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2CC(C)(C)OC3=C2C=CC(=C3)F,QMBYBHDTNZPSLO-UHFFFAOYSA-N
-4B219FDB593EF13C_29B558B1EA4C811B_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC=C(C=C3)CN4CCOC4=O,BMOIYOGGKGHTRC-UHFFFAOYSA-N
-4BE6C57A7AB928F0_016F5EF82390E322_6028_UN,FC1=C(C=CC=N1)C2=NN(C=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,DFKWKZBXNJBRRD-UHFFFAOYSA-N
-4BF7B445911EABE5_27E3D99B1138E352_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=CC=C3)[S](=O)(=O)N4CCCCCC4)F,XSWOWTHADBDJPM-UHFFFAOYSA-N
-4DCB6F64C0368CB8_519C457EE4E7C87E_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=N3)CC4,AJUORWNILWYPHB-UHFFFAOYSA-N
-4EAE33E2AE19D0C0_D66E9148A3100D60_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CC4=C([N](C3=CC=C(F)C=C3)C=N4)CC5,RCSYWSSBGFXLHR-UHFFFAOYSA-N
-4F77E02E34DE2231_9FFA6F1040291864_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NCCC(N4CCN(C3=CC=CC(=C3)C)CC4)=O,HEXHPDIOGUXDNG-UHFFFAOYSA-N
-51E2045CC14D67F1_F4D360472A74955F_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C(C3=CCNC3)(C)C)=O,HBNBASXLJKEUJZ-UHFFFAOYSA-N
-54276F19EDE7B28F_C107E0006F63AA66_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CCOCC2)[N]3C=NN=N3,QMSVYJDIULNDDZ-UHFFFAOYSA-N
-550F43833ACB757D_9A1D046EBA36DEE8_6041_UN,OC(=O)C1=CC(=NC(=C1)NC2=CN=C([Si](C)(C)C)C=C2)N4CC[N]3C=CN=C3C4,CUAJEKDQWJTXNK-UHFFFAOYSA-N
-563545ECDEEF42A3_82C540F53F1C263D_6029_UN,N(C1=CC2=C(C=C1)OC(=N2)CO)[S](C5=CC4=C([N](C3CCN(C)CC3)N=C4)N=C5)(=O)=O,HDMACBZJZDCRFL-UHFFFAOYSA-N
-5718E05FF39E0C3A_54F7C46A526038BC_6041_UN,OC(=O)C1=N[N](C2=C1CCC2)C3=C(C=C(C=C3)NC4=C(C)[N](N=C4)C[Si](C)(C)C)F,QQMZYXQDVPPLNW-UHFFFAOYSA-N
-5AFD40DCAE928090_1E0CCDC5874033E6_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,OCHZDURASKKQCU-UHFFFAOYSA-N
-5BD70988233376C6_2F1D73F31CDA08B5_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=NSC(=C4C#N)[S](C)(=O)=O,NUNSNJUADIWDBX-UHFFFAOYSA-N
-5D4DC886FAD82B37_89B76CB047CBD5F2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(C[S](C)(=O)=O)CCC4,RUUVQGBCACSWPZ-UHFFFAOYSA-N
-5E8220D1ADAEE792_EEBB936868C24E32_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3C(C2=C(C)C=C(C=C2)Br)CCC3)[N]4C=NN=N4,CZHGUZIHDZZUAW-UHFFFAOYSA-N
-5EF019FC1B86B163_B4CA84A9E79252E7_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(SC)C=CC=C3F)=O,DBSJOASOZSKVLK-UHFFFAOYSA-N
-5F9A979E3CD83DE9_0861672412FF80CA_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NCC3(CC(OC)(C3)OC)C(=O)OC(C)C,OWDUFSZCJKWPQT-UHFFFAOYSA-N
-5F9FD326FC0F03DD_3B74776E405EBBF6_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,PWEWEXGJSFIZFW-UHFFFAOYSA-N
-60028058BA2CF820_47E9700DE7ED1978_6035_UN,C[C@H](OC1=NC=CC(=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCC3,ZFJREOOKFKHUPE-NSHDSACASA-N
-600B36767A39D3CE_A7FFDFCA6E290F21_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=C[N](=CC=C2)=O)[N]3C4CCCC4,WJTRQYLCTJIBEV-UHFFFAOYSA-N
-60D4F99D2E5EBCBD_5EBD41E1E10EDFDE_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O,LKLPIENRHJHVHN-UHFFFAOYSA-N
-612C2130FF623D0B_517A89F155936931_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C(C=C3)[N]4C=CC(=N4)C5=CC=CC=C5)(=O)=O,HLVYDIHHCOTPNY-UHFFFAOYSA-N
-64323195AB147996_0E8D7C4767E1449B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=C(C=CC=C3)Cl,KUPWKZWCVFIFAW-UHFFFAOYSA-N
-6708000B7D576612_5FF133412FB219B7_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=C(C=C3)C(=O)N4CCCC4,KTQFWAFJTLNMDQ-UHFFFAOYSA-N
-69764FAB1E78D70E_C9CA5A33DA3E8407_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2CC3=CSC(=N3)COC)C4=O)N5CCNCC5,UWCFUYSZEJHRNL-UHFFFAOYSA-N
-697F786ADCF6CE7E_846929628DDB3E1A_6029_UN,C1CN(CCN1[S](C3=C(Cl)C=C2OCCC2=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,TZHPTADQYCDINW-UHFFFAOYSA-N
-6A3FD2BD528A307C_9FAB62429A509397_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4)I,MZTYJBRSTIYBFO-UHFFFAOYSA-N
-6A6BC3D222A0C05C_E89F9F9FCAC9E81E_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,MTXFHTVTTBWYMA-UHFFFAOYSA-N
-6C0845AEE1249856_C3DE6541832B898A_6041_UN,OC(=O)C1=CC3=C(C(=C1)NC2=C(C)[N](N=C2)C[Si](C)(C)C)OCCO3,BFECSLAZXLNVHA-UHFFFAOYSA-N
-6C30FCD702EE5513_5247DB1A7009BB64_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N5CC=C(C3=NOC4=C3C=CC(=C4)F)CC5,IRFHFPKMPHQFGP-UHFFFAOYSA-N
-6C42205464A836FD_BB3CC2846AA87755_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,CGVSATMXFPIJMB-UHFFFAOYSA-N
-6CB502E2B02914F3_B504CCAB57AECC07_6041_UN,CC[N]1C=NC2=C1N=CN=C2N[C@@H](C(C)C)C(=O)N(C)C,VCIWZLOSRGOJIU-JTQLQIEISA-N
-6DF05E532F8DC830_88C5916F6766B4B8_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,LGJWREGPEBQWIX-UHFFFAOYSA-N
-6E691E7A0D02E461_ACE84CDCE2D37C2F_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=CN=C(N=C3)N4CCCC4)(=O)=O,LYHOQZXBAMMWGY-UHFFFAOYSA-N
-6F0C5B7B22AFFA19_6A2F0E0EC64B87D8_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,TYBHQVIHGWXXDS-UHFFFAOYSA-N
-7372BFFEBCCF88CE_FB6C413511C19734_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=CC3=C([N](C)C=N3)N=C4)=O,ZWEKTNCCLREPRX-HNNXBMFYSA-N
-7469511335F9F003_0C385C4BE05058C6_6041_UN,OC(=O)C1=CC(=NC(=C1)NC(C)C2=CC(=C(C(=C2)C)F)C)N4CC[N]3C=CN=C3C4,VDWCLXAELVYFCS-UHFFFAOYSA-N
-749171907A1940D0_0F84FE81CE5F69C7_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C)C=CC(=C4)[S](=O)(=O)N5CCCCC5,LIJYQXFILQSALR-UHFFFAOYSA-N
-75144AE8FF00F694_52D6F230882CADD3_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,JPHXZZZROORXIB-UHFFFAOYSA-N
-764E28A9B31804C7_0D8260E1F6F249FF_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,YSNCLCNRLPPFBK-UHFFFAOYSA-N
-78905BC83B9479CD_96ED54BEE5A6DFEE_6028_UN,N(CCC1=CC(=CN=C1)Br)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,LLPHGTOCVSCGNB-UHFFFAOYSA-N
-791E6DA89F4CFE7A_2A9019FFD9C8BFBF_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCNCC4,RDMPFRICXHERRZ-UHFFFAOYSA-N
-791E6DA89F4CFE7A_4E919259D0534FEE_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCNCC4,RDMPFRICXHERRZ-UHFFFAOYSA-N
-792CB8F436F5B881_91AC1FCA435D6CC2_6029_UN,N(C1CCC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,HAIMETSJDPRJGA-UHFFFAOYSA-N
-7931874FBB244A61_75FF484FD87FCF60_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)C=NC(=N3)C4=NN=C[NH]4)=O,ORYYPEHKEXAMQQ-CQSZACIVSA-N
-793F2B88D766A779_BA729F9377374B6E_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C)C=C(C=C3)F)(=O)=O,LOZWOXZLBSCQIQ-UHFFFAOYSA-N
-79616E14E1A1645A_84734A19D0495D24_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=NC=C(C)C=C3)(=O)=O,IOVNKCQYHPLIHP-UHFFFAOYSA-N
-7A272609BF7512C6_CFCC63C6B4841AEC_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=N4,QVJNQAQSKCHKLD-UHFFFAOYSA-N
-7A9B7E60A8AF8258_20B1A0B8217D6145_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC3(CCC3)C4=CC(=CC=C4)C#N,MPWGKFHIRXDPIX-UHFFFAOYSA-N
-7BCD0F225A8D1BAF_9E265A9C5E3A0209_6038_UN,C[Si](C)(C)C#CCCNC(C2(C1=NN=C(C)[N]1CC2)C)=O,BBCQZZJNNQRLJG-UHFFFAOYSA-N
-7E51E024EC6A09E9_6FDC2FC167F105F5_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=C(C=C4F)[S](=O)(=O)O)F,JQIRSCIBKCIOEP-UHFFFAOYSA-N
-7EF63CC52A06AEC1_4BCAD28734A048B8_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C4=NN=C(S4)C5CC5)(=O)=O,QKULUYBZASMLGM-UHFFFAOYSA-N
-7F2DF1A7141BF0F9_1039EC69A52EDC26_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=NC=C([S](C)(=O)=O)C=C4,IZFIYNIDIQEMMW-UHFFFAOYSA-N
-7F715A4839C84F74_4F102BED1EC38F18_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCNCCC4,AIMUASJUXLRXIK-UHFFFAOYSA-N
-80C2F1BEAE804F67_2D758BF0C80532EC_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCCC3,HVQXZDWZZFVLET-UHFFFAOYSA-N
-80D245466D00490B_53EEA4F791119FCD_7017_UN,N3([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CCC(O)(CC3)C4=CC=CC=C4,WKRIIVKNQJDVSI-UHFFFAOYSA-N
-81890286722A48CB_457CD4E5998BDFAC_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,KJBLXWGEXXMPED-UHFFFAOYSA-N
-82F1B7D1C75299AD_E37AAA32023F870A_6028_UN,C1C=C(CN1[S](C3=NC2=C(CCCC2)[N]3C4=CC=CC=C4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,XTRURSVHBHPKEB-UHFFFAOYSA-N
-853675D25991CC4D_DB9F5280CD307E93_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCCN(C3=C[N](C)N=C3)C4=O,VWBYYPVZZGQSFG-UHFFFAOYSA-N
-856846C9ACF584B1_45D490E6BE542023_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,UYIPXEJRPNMUMM-UHFFFAOYSA-N
-85B8483A4F5A5FB0_0737B961DD4F4209_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,XRMDOCICCWSMFC-UHFFFAOYSA-N
-85D30E3D41F30EB6_2391B519959E5045_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=CC=[N](C=C3)=O,JXSZYDQKLKHNIA-UHFFFAOYSA-N
-867CA57114150381_11CBD5411BF4C83F_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NCC3=CC(=C(C(OC)=O)O3)C,AQWOMPMKWXQKHW-UHFFFAOYSA-N
-867CA57114150381_7B9567FB30B11B11_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NCC3=CC(=C(C(OC)=O)O3)C,AQWOMPMKWXQKHW-UHFFFAOYSA-N
-8755691F74B0DAAA_FA03C4E13AC8D843_6004_UN,CC1=C(C=CC2=C1CCC2=O)C3=C(C=CC(=C3)C)C4=CC=CC=C4,SEMKTFQWMOXZKD-UHFFFAOYSA-N
-87B5CFD5B47753E5_E9D9B89B5CB6656D_6029_UN,C1CN(CCN1[S](C2=CN=C(I)S2)(=O)=O)C3=NC5=C(C(=N3)C4=CC=CC=C4)C=CC=C5,SWTKOCYEHRXYDD-UHFFFAOYSA-N
-8839242DA5640CA1_A709ECEA4BE6EAA8_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=NC(=NC(=N2)N)N3CCOCC3)=O,HLFDIHRYYURCCW-UHFFFAOYSA-N
-88D1705742BA3F95_C01811B747760FFF_6026_UN,ClC1=CC5=C(C(=C1)[S](=O)(=O)N(C3=CC2=C(OCO2)C=C3)C4CCCCC4)N=CC=C5,ZGSURMYQBFLGDV-UHFFFAOYSA-N
-895FE566076E5A84_8E1E4A9DD3423450_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O,KUMHHZCSZSHUSA-UHFFFAOYSA-N
-8B448B1D1E94C835_1A24361FEA1931CA_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=C[N](C)N=C3C4CC4)=O,YVNQAUOUUPAXJG-UHFFFAOYSA-N
-8C6B17C880F1286D_1FF6E633C64D4E5A_6006_UN,CC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCCC3,YFQGGKTUPCTBPV-UHFFFAOYSA-N
-8EBDAA3CFCFE41D5_47D3241AE4518F2E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCCC4=C([S](C)(=O)=O)C=CC=C4,PZWQHCKTNSKSHG-UHFFFAOYSA-N
-8FB4C530B5D7FAFE_550F4F8A0EAF582A_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCCC4=CC=C([S](C)(=O)=O)C=C4,BJVYAAMXHRKBDO-UHFFFAOYSA-N
-918204D4C396149A_324216275F6ADE89_6041_UN,OC(=O)C1=CC(=NC(=C1)NC2=C(C=C(C(C)C)C=C2C)C)N4CC[N]3C=CN=C3C4,QGYLIHQKTZKRQX-UHFFFAOYSA-N
-91A5CB981E65B6CE_E00BB1F77A8EA3EA_7005_UN,N3=C(C1=CC=C(C=C1)[S](=O)(=O)C2CCCC2)[NH]C4=C5C(=CC=C34)N=CC=C5,MMFMFHIHHUQRAR-UHFFFAOYSA-N
-9203F47ECCB82712_15D3CE9B70D219AF_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(N=C2)C3CCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,JUKXALMYFONEFF-UHFFFAOYSA-N
-96C99F48538D164F_711E0915EBA4CE96_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=NC(=NC=C3)C4CCC4)(=O)=O,LLNWLTLWGHNQTO-UHFFFAOYSA-N
-974BC48CD3EEE5C4_92CECE94D900590B_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)[S](=O)(=O)C5CCCC5,SBZMEPXGUNMKEC-UHFFFAOYSA-N
-98D5BDDDDC5D454D_0466C20B0472E2D9_6028_UN,BrC1=CN(C(=C1)C(=O)N2CCCC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,LLHOKKZYSVWIKA-UHFFFAOYSA-N
-9900126CBF21671A_59CDD2A19693BA71_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)N5CCCC[S]5(=O)=O,HEGZHAGYNBOTRI-UHFFFAOYSA-N
-9981F2E41FA91E67_261EFFF095D7145A_6028_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,XSFBWPMGBIPJHM-UHFFFAOYSA-N
-9AAD4F7F0D79FC47_EF4876F9C4E4B166_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CCCN(C)CC(F)F,FYASAXNRRRRNNF-UHFFFAOYSA-N
-9B7194773843DC49_5FA773A65BF93492_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2CCl)OC,VTZGXSDSMMYITE-UHFFFAOYSA-N
-9E2F58162153DA23_FABE366D875B5608_6028_UN,BrC1=C(N=CC=C1)C2=CN(N=C2)[S](C3=NC=C[N]3C4CC4)(=O)=O,HVLIWWLIMLTORJ-UHFFFAOYSA-N
-A001508E2CE90ADE_EFCA80BBEA70325E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CCC5(CC4)C[S](C5)(=O)=O,WAYBOHDTHZGMCQ-UHFFFAOYSA-N
-A036BE3B006C2596_E6CBDE0FB3920D7C_6028_UN,C1CN(CCN(C1)C2=NC=CS2)[S](C4=NN=C(C3=C(C=C(C)C=C3)C)O4)(=O)=O,WPYAJQSDAHZAKQ-UHFFFAOYSA-N
-A1018528CC86E370_8F0AA1DEBA45C0E0_6041_UN,CC1CCC(CC1)OC2=NC(=NC=C2)NC3C4=C([S](C3)(=O)=O)C=CC=C4,UNHUOVKAEKOPBR-UHFFFAOYSA-N
-A11EC1A41CBB1488_5363991CF0AB0E71_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,PDEZETXIVFKCME-UHFFFAOYSA-N
-A14DF6D06A463318_9B6C2892798DDCE5_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCOCC4,FVKNKBFOSAQUJL-UHFFFAOYSA-N
-A1C450613656EE8C_CB4CF9B9F3FE6025_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=CC=C(C=C3)Cl,VHZWNMBXQGKIKF-UHFFFAOYSA-N
-A1FD8F5F851064DD_8EBEF4007D9CE42F_6029_UN,C[N]1C=CC=C1C2=N[N](C(=C2)C(=O)O)[S](C3=C([NH]N=C3)C4CCC4)(=O)=O,NWSXPIIWULFSDP-UHFFFAOYSA-N
-A478E8021D5E7954_6211D8A0AF18ECE0_6034_UN,ClC1=CN(C(=C1)C(=O)N2CCNCC2)CC3=C(OCCOC)N=CC=C3,NEGCYCFKLLMMGG-UHFFFAOYSA-N
-A54A6F43911D04ED_D04664CADB3609B0_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](C)(=O)=O)C=CC(=C4)C#N,OJGHDAFRQDRYGD-UHFFFAOYSA-N
-A5B21C1503079772_7E00D32B98A0DAE0_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C=CC=C3)N4CCCC4=O,RWRAGFGOCVLZHR-UHFFFAOYSA-N
-A5F5A2DCE3AC26FA_7B75EF69A18C5D71_7019_UN,C(C2=CC1=C(C=CC=C1)C(=O)N2)=CC3=CC(=C(C)C=C3)C4CC4,KPUFFOUEYJEGRE-UHFFFAOYSA-N
-A6034BA3882A2A01_53B6CDD0C84AD9BA_7019_UN,C(C3=NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)N3)=CC4=CC5=C(C=C4)OC(C)C5,PXTRPGSZUANLSF-UHFFFAOYSA-N
-A751DC79E86C2FF7_EBC24C88BDDD1450_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C4CCN(C3=NC=C(C)C=C3)CC4)=O,TYYFPLZSFFDPDD-UHFFFAOYSA-N
-A8A4CCE811A0A47E_F3B7D8364AD234E3_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)NC3C=C(CCC3)C4=CC=C(C=C4)Cl,YJSOARVKSLISKP-UHFFFAOYSA-N
-A8DD4186FCD4C228_66EBE59D53BBAC4D_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)C3)[N]4C=NN=N4,LALGMTGWRWMOTD-UHFFFAOYSA-N
-AAF3673123FD4B81_D97A6CAC10209908_6034_UN,ClC3=C(C=NN(C2=NC1=C(C=CC=C1)N2CC(C(CC)C)OC)C3=O)N4CCNCC4,IEAPRFLMILKUCY-UHFFFAOYSA-N
-AB288E63DE3BB6D9_8A07116905427668_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2CCN(CC2)C3=CN=CC4=NN=N[N]34,DEKJRQSGKGZTSV-UHFFFAOYSA-N
-B168D5BA8A7C761D_D10E437AA6D1BB52_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC(=CC=C3)CN4CCOC4=O,IDWVMCKHUWNHMN-UHFFFAOYSA-N
-B2A32556902DE009_A1DB72C291EB0C80_6041_DP,C[S](=O)(=O)C1=NC(=CC(=N1)NC3CC2(CCNCC2)OC4=C3C=CC=C4)C5CC5,DSXMOUNPRXQPKY-UHFFFAOYSA-N
-B2F03B628B3006C9_5086F7CB105EFDDF_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CCC(C4=C[N]3C=C(F)C=CC3=N4)CC5,NSVOEHLIEMIBSP-UHFFFAOYSA-N
-B3F32E421F0E75A6_0C383529D9D9EEBB_6038_UN,N(CC1=CC(=NC=C1)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=NC=CN5CC[S](=O)(=O)N=C45,UQICLQAMTSBMBT-UHFFFAOYSA-N
-B6F9B2ECEFFB4375_A83A33B59F3DB49D_6035_UN,C[C@H](OC1=CN=C(C=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCCC3,NJMSXQIUIJPYQA-LBPRGKRZSA-N
-B725220E15AF5FFF_F5B5461E86631225_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,UDRHFORNVDQCJC-UHFFFAOYSA-N
-B852D005AE858F2B_5E873FACE93266B5_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2CC(OC)C3=CC=C(C=C3)F)C4=O)N5CCNCC5,WMAVURNLWHZBQC-UHFFFAOYSA-N
-B9ACDE062F7F1157_3CE0B2909FBCB9E0_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC1=C[N](CCCN)N=N1)C,KUWYYRMUKPGHAR-UHFFFAOYSA-N
-BA171F43F7CD3168_A18C0D20E7392A91_6041_UN,OC(=O)C1=N[N](C2=C1CCC2)C3=C(C(=CC=C3)NC4=C(C)[N](N=C4)C[Si](C)(C)C)F,XIZVKKHUURDBMM-UHFFFAOYSA-N
-BA4ECEB2B3D3BEBF_53082E58E1D0AD34_6029_UN,C3=CC1=C(C=C(C=C1)C2=CSC=C2)[N]3[S](C4=CN=C(C=C4)N5CCSCC5)(=O)=O,XSSKXTIEXOYHDF-UHFFFAOYSA-N
-BBE8CF41D0CC8672_1AEF7EFE758F50F7_6026_UN,ClC1=NC2=C(N=C1)C=C(C=C2)[S](=O)(=O)N4CCC(C3=CN=C(C)C=C3)CC4,DPJDLSMEZRONOU-UHFFFAOYSA-N
-BCE17D702179F51B_5EC367F959CD7237_6038_UN,CC1=C(C=CC=C1)SC(C2=C(C)N=C(N=C2)C3CC3)=O,GRNDJGYDKKUFQP-UHFFFAOYSA-N
-BD28E4210AF37D99_B5E74AC9B1215EB9_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=CC=NS2)C=C3,BXPJUNRSIXNJRL-UHFFFAOYSA-N
-BF7C9539988989A8_D97C1FB27BC138AA_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)N[C@H]3[C@H](OC)CCOC3,SAJRTQWLEUAWGE-RTBURBONSA-N
-BF881D47E546376E_066DDC9002BCE609_6038_UN,N(C1=C(C=C(C=C1)C#C)F)C(C2=N[NH]C(=C2)CCCCC)=O,LHAHTXJEXUYXBQ-UHFFFAOYSA-N
-C08EF51B337C27E5_C423BAD4C1BBC564_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=CC=C([S](C)(=O)=O)C=C4,NTFUVHWWGCEKJZ-UHFFFAOYSA-N
-C3F7ED099668F9D7_A9811B4CD55852D0_6004_UN,OC(=O)C1=N[N]4C(=C1C3=CC=C([N]2N=C(C)C=C2C)C=C3)NCCC4,RJDFFLDDURJNSC-UHFFFAOYSA-N
-C5031F49943DCA2A_DCC7BECAB9CDB666_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,XLVCBAHGUVIHIB-UHFFFAOYSA-N
-C55BA202053C134B_B9A06917EF1E8E1A_6026_UN,FC2=C1C=NC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,JMYULKBSVNGRGF-UHFFFAOYSA-N
-C6374B0B5907991E_687E4F18D898119E_6029_UN,N(CC1=C(C=CC=C1F)[N]2C=CC=N2)[S](C3=C(C)C=C(N=C3)C4CC4)(=O)=O,FCFXKJJTBUUGRA-UHFFFAOYSA-N
-C6B2889EDE301504_DB8AA5FE43F61BB6_6038_UN,COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)CCC2=O,HWIGUDOMKFBYNI-UHFFFAOYSA-N
-C755A90B51500ABD_8AB8029FF5FBF93D_6038_UN,CC4=C(NC([C@@H]2[C@@H](C1=C(C)[N](N=C1)C)N(C(C2)=O)C3CC3)=O)C=N[N]4C[Si](C)(C)C,ZFRJYEVHPAUYKU-JXFKEZNVSA-N
-C75913F24CD78284_7F57C9E447CD693B_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CCN(C3=CC(=NC4=NC=N[N]34)C)CC5,YLGJQJYIQVKIEN-UHFFFAOYSA-N
-C8816CA6E316F024_68928389ABF6B056_6038_UN,CC1=CC4=C(C(=C1)OC(=O)C3=C[N](CC(=O)N2CCCC2)N=N3)N=C(C)C=C4,WHTYOTPJGAQDSQ-UHFFFAOYSA-N
-C89DEFCC8B1350D4_F3847F061151EA04_6041_UN,OC(=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C)[N](N=C3)C[Si](C)(C)C,BEUWRRUCVPBGSX-UHFFFAOYSA-N
-CA4547F5F0948C26_E0AC262535E74297_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)C=C4,IMKCUGGXVDWYFY-UHFFFAOYSA-N
-CAA57716F0E363F0_48580F233878D8AA_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)C4=N[N]3N=NN=C3C=C4,BVKQPEBCBPEFQH-UHFFFAOYSA-N
-CAF6876061F8C8D7_A2645E6287222D7D_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC=CC(=C3Cl)C)(=O)=O,JSVHRYUILKXPRM-UHFFFAOYSA-N
-CB3C5870ABA54881_300AB7C67B7F8194_6041_DP,C1(=CC(=CC=C1)CC2CCC(=O)CC2)NC3(CNC3)C,QBSRFMVJLMEEDS-UHFFFAOYSA-N
-CECB0DCFDC08EAB7_85B95814AF8FEEFE_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCCCC4,OUYJUUPDEHSOKS-UHFFFAOYSA-N
-CF444781F247C050_C3642AA0F823DD08_7019_UN,C(C1=CC2=C(C=C1)OCO2)=CC4=CC3=C(N=C(C)S3)C=C4,PKKVMEVQSAGTJM-UHFFFAOYSA-N
-CFDCDE7F7ECF2255_5A723C8FEC066F01_6038_UN,CC2=C(NC(C1N=CN(C)C1)=O)C=N[N]2C[Si](C)(C)C,BATRPNQYYIISOQ-UHFFFAOYSA-N
-D08B41812BF527F9_BCC49B54BE928CC5_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C(C#N)C=C3)CC4,FTKZXDFIOHEGLG-UHFFFAOYSA-N
-D18A69486AACB614_7FC393E49122217F_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3C2=C(C=C(OC)C=C2)OCC3)C4CC4,UCTRQZKUGLLAHY-UHFFFAOYSA-N
-D18C86244B33DDA0_09A99C1E303C3884_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)N5CCOCC5,YKOYXBLWHQWFPI-UHFFFAOYSA-N
-D1C8AA7BD23B7736_C3559A9C441375A4_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C4=NN=C([N]4C)C5CCC5)(=O)=O,MYUNPTKNWWRQFM-UHFFFAOYSA-N
-D2313A0442523EBC_2F09818301060BDA_6006_UN,C2(=C1C=CC=C(C1=NC=C2)[S](=O)(=O)Cl)C3=CN=C(C=C3)N4CCCC4,BKQHROKQGBQLOV-UHFFFAOYSA-N
-D36DB985A95B9753_6F68CDA481AFD03A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC=NC(=C2)N3CCCCC3,PIYKEQKNDZGHNS-UHFFFAOYSA-N
-D3CA5CB62C118EC7_A23F0EB251802423_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,PYDGURNYYBTITB-UHFFFAOYSA-N
-D3F500E27C8D5EA8_C44EA0731AEC7038_6035_UN,C[C@H](OC1=NC=C(C=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)CCC3,WJBUCMPHQFANKL-NSHDSACASA-N
-D44491C03C103654_FA8146B9DE9C47EC_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C=CC=C3F)N4CCCC4,XTQWVWVHXQZLDS-UHFFFAOYSA-N
-D44B69CA99959843_D62113AAEDF2096C_6039_UN,O(C2CCC1(CCCC1)CC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,FXDRSCZHYPYIKD-UHFFFAOYSA-N
-D44BFAA1E40A15AC_CEF1FEBDB0065E03_6029_UN,OC1=CC=C(C=C1)N2CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CJNVUZJPTFPQKM-UHFFFAOYSA-N
-D590A50F4F076FE8_A2F31D1D552DD86E_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4(C)C[S](=O)(=O)C4,FLFAXCVETHXJCW-UHFFFAOYSA-N
-D77308E9B3EBBC75_12BBEA7E201F1F1B_6029_UN,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C3=NN=C(C)C=C3)(=O)=O,CKJBVTMDAGMYNV-UHFFFAOYSA-N
-D8970E1FA35E2CAE_468AD985FCC88999_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)C5CCCCC5,RZSOIELISUTVSO-UHFFFAOYSA-N
-DAA7675B8B65B096_A540070E1284BBDB_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)Br)CCC3)[N]4C=NN=N4,JXGMXSXVIQWEQX-UHFFFAOYSA-N
-DC231E5B57EE4075_4D6CE7E7DB64574E_6041_UN,CC(C)C(=O)C1=CC=C(C=C1)N[C@H]2[C@H](OC)COCC2,LQDNIRWCYGALCY-HUUCEWRRSA-N
-DCC6897DBA2BA04E_7F2D6E859A8F72B1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=NC=C4)[S](C)(=O)=O,FJFIDHXRWDKNHB-UHFFFAOYSA-N
-DD99D4E8339434CD_3B397B613C7A1BE8_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,ADJCLHIBSMVOCN-UHFFFAOYSA-N
-DE9819EDE9198678_34A57184750B3FE4_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,LAESWJGPYUHJFW-UHFFFAOYSA-N
-DF87106C545F8A57_489245B662382BC9_6028_UN,C[N]1C(=CC=N1)C2=CCN(C2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,SNLYCXNWMSREIS-UHFFFAOYSA-N
-DFFD97274C3A27A6_A4F03F5EF65BBF84_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)F)[S](C)(=O)=O,CQOLDXILTCKVTC-UHFFFAOYSA-N
-E0C5A6F8130CCADB_30739B25D7D77594_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(Cl)C=C2)Cl)CCC3)[N]4C=NN=N4,QJOSMBZQFUQJPN-UHFFFAOYSA-N
-E18DCDD3A05B713E_BBE0F39122F10A0D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4C5(C4)CC[S](CC5)(=O)=O,MWJPKHGJTMSHSZ-UHFFFAOYSA-N
-E2E73863514FB56E_2458DC36EE831233_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,JUYUSUJBFSHCTB-UHFFFAOYSA-N
-E302F24EFF5FEBA5_D985037A1FABBB8C_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC3(CN(C(OC)=O)C3)C,QCJKGZMEMZLZET-UHFFFAOYSA-N
-E4FDB2B8DA362882_7B26DA98737B829D_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CCC(C3=NN=C4C=C(C)C=C[N]34)CC5,TZSXTGXIBKVCFN-UHFFFAOYSA-N
-E56B14301F67C1BC_A37E426E5C8B1523_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,SDYDZIYNSSCKPH-UHFFFAOYSA-N
-E570B2F579665AAD_0B4CA6015C0E299F_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4C[S](=O)(=O)C4,QBKJFGVOSNTDKM-UHFFFAOYSA-N
-E5BA4DFB4DBD534C_0774DF9D6FB7BE4E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CC[S](CC4)=O,OWMDAINBOAWSPS-UHFFFAOYSA-N
-E64DF0F15B6AF3A6_B2FC0B9E1D5E28CE_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC(=C(C=C2)[S](=O)(=O)F)C)[N]3C4CCCC4,DZRZYDLYRAUHBW-UHFFFAOYSA-N
-E8B3033D649376DD_959A29C96A82E8B8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CC5(C4)C[S](C5)(=O)=O,GVCCCYAYDQIBKW-UHFFFAOYSA-N
-E8B5CD722ACDF613_4894C92E93A66F5B_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OCC)C=C(C=C3)N4CCN(C)C(C)(C)C4,CUVNBIVWNCHISB-UHFFFAOYSA-N
-E974C37C9978B8AC_988C0BE4F4658B08_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC(=C3)N4CCCC4)C,PVUYGRYHOGXLJI-UHFFFAOYSA-N
-EA670AF34D848682_E9741BF30122816D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)C5=CC=C(C=C5)F,RWBFGROSRLKUQX-UHFFFAOYSA-N
-EA8E9BAAD52D8641_2F07D8331C4B18C5_6041_UN,CC1CCC(CC1)OC2=NC(=NC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,UAXIVEXEKUBAOE-UHFFFAOYSA-N
-EC6765A89E356F9C_85590F320518DAB4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC=C4)[S](=O)(=O)N5CCCCC5,HCMKOYFTNOAYPI-UHFFFAOYSA-N
-EE8DD68C62BC89A9_3A28A6B6E6EB599D_6028_UN,C2COC1=C(C=CC=C1)CN2[S](C4=NN=C(C3=C(C=C(C)C=C3C)C)O4)(=O)=O,GKARFZIOVUOFIP-UHFFFAOYSA-N
-EEED086507DF79FE_D97643CDA4E626D6_6029_UN,C1CC(CCN1[S](C2=C(F)C=CC3=C2N=CC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,DOSOFHDDOJAWJO-UHFFFAOYSA-N
-EFC5D8C84D6B152E_A37EC0600DF5D2B4_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2C3=NC(N(C=C3C)C)=O)C4=O)N5CCNCC5,PCKICRBLXOPLEG-UHFFFAOYSA-N
-EFD10EABC8460965_3F7C3EF1C7BFBEB8_6029_UN,C1CN(CCN1[S](C3=C2CCCC2=C(F)C=C3)(=O)=O)C4=NC6=C(C(=N4)C5=CC=CC=C5)C=CC=C6,RCHDKKIDIYUOEZ-UHFFFAOYSA-N
-F06640FEB5C55228_FC9AD9F5BBC6553A_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(C=C4)[S](=O)(=O)C5=CC=C(C=C5)F,WKYNMUWQBBIQRH-UHFFFAOYSA-N
-F19F5614BFFDADD0_59968AC32FC14FF5_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C4=CN=C(N3CCC(C)CC3)C=C4)=O,MRSNIUGQEHNCNQ-UHFFFAOYSA-N
-F214A908860D25E8_C1F5AFBE4D71EA84_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C[N](=CC=C3)=O,YMCGGRRJFMRALW-UHFFFAOYSA-N
-F355730515498F85_9F0C893FCE34EA5A_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)N5CCOCC5,XVDKBJNNRVOBDZ-UHFFFAOYSA-N
-F58ED84F529E7536_84C891C61840FD60_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)[S](=O)(=O)F)C,HKBOGGVGMFLZEK-UHFFFAOYSA-N
-F674036BD191022F_83C9337115C45287_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4C(C3=NC=C(Br)C=N3)CCCC4,DHTYXSNKEOQQOW-UHFFFAOYSA-N
-F705DCB2B5492A4D_0FB77CCB75192D38_6029_UN,N(C1=C(C=C(C=C1)F)C3=NC2=C(C=CC=C2)S3)[S](C4=CN=C(N=C4)C5CCOCC5)(=O)=O,AKQWHIUKIKSJPH-UHFFFAOYSA-N
-F77F7BC54BD9ABF4_D9F45ACCF8CD8834_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C5=NOC4(CNC4)C5)=O,JEVQOOYXAYQLSW-UHFFFAOYSA-N
-FA43F3A58DCA61EF_10E3886752E3CCD4_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)NCCC3=CN=C(C=C3)N4CCC4)F,FSWJXAZKZGPRGF-UHFFFAOYSA-N
-FA9C65FF32ACA9F5_59CB257390BDA600_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,QBQDACTXSDLQBS-UHFFFAOYSA-N
-FC810B31AFBC8B03_A91A3793F1595626_6038_UN,CC[C@H](C)[C@H](NC(C(C)(C)[N]1C=NN=N1)=O)CN(C)C,ASQWWRQBURGYFA-WDEREUQCSA-N
-FF1A26A5206AEC5A_5CC8107F205A423D_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CCC4=C(C=C(C=C4)[N](=O)=O)Br,AKEKSVNRXYAEQN-UHFFFAOYSA-N
-FF5A0003DD77AFCE_D4558AEAE5B73CF1_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(N=CC(=C4)OC)Cl)(=O)=O,ZBHWQXAJSMDCDU-UHFFFAOYSA-N
-rxn:1:49474:21258,Cc1ccc(F)c(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)c1,JZGQAWRLKGKFBC-UHFFFAOYSA-N
-rxn:1:59783:21258,Cc1ccc(F)c(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)nn2)c1,NUPLBQXRQJNJHZ-UHFFFAOYSA-N
-rxn:1:63528:8444,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCCC(c5nccnc5Oc5cccc(Cl)c5)C4)nn3)CC2=O)c(CO)c1,SJTHOPRMBDASDW-UHFFFAOYSA-N
-rxn:2:104011:162580,CCC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,PXEKINIXQGCKCZ-UHFFFAOYSA-N
-rxn:2:114046:171199,Cc1cc(C)c(C)c(-c2cnn(C3CCC(NCC4(c5cccc(S(C)(=O)=O)c5)CCC4)CC3)c2)c1C,IKRGOKGDRZXDHD-UHFFFAOYSA-N
-rxn:2:119659:145721,CCc1c(C2CCC2)nn(C2CCCCC2)c1NC(C)c1ccc(-c2cccc(S(C)(=O)=O)c2)c(C)c1,ZNCVYNGBISZZKP-UHFFFAOYSA-N
-02D1896D7391CCC0_9C773A30F3073BE5_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H]3CCOC4=C3C=C(OC)C=C4,KXUVCXUZEFFFKL-LWKPJOBUSA-N
-04BB6431F163CC1F_C92E59B55B44B430_6028_UN,N(CC1CCC=CC1)[S](C2=CC=C(COC)C=C2)(=O)=O,YHBDJBSRNBZMQL-UHFFFAOYSA-N
-054FC57A87597401_734D54369340F3B3_6006_UN,C1(=CC2=C(C=C1)NC(=CC2=O)C3CC3)C4=C(C)C=CC(=C4)F,CJUFFPZZMZGZAE-UHFFFAOYSA-N
-06E2F38C0F8D86DA_86CC642B3EF405F1_7019_UN,CC3(C)CN=C(C=CC1=CC(=C([N](=O)=O)C=C1)OC2CC2)O3,BGOGGTIHBLYXSD-UHFFFAOYSA-N
-0A3FC9494DE7C817_A554B731C52A5CEB_6034_UN,COC1=CC(=CC=C1)C2=CSC(=O)N2C3=CC=CC=CC3=O,GPLQQKCQRGXAKI-UHFFFAOYSA-N
-0B17E15FA07D1D62_786DEC160C4770EC_6041_UN,C1(=N[NH]C(=N1)C2=CC=CC=C2)NC3CCN(C)C4(C3)CC4,RVSAJCBDSSEQQM-UHFFFAOYSA-N
-0CB8331F4AA5F2F6_737ABC07336F5BA1_6029_UN,CC1C4=C(CCN(C1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C=CC(=C4)F,RIGMDUGZQZKEHJ-UHFFFAOYSA-N
-0D223F481B3C485C_34676F374D102AE0_6029_UN,CC1=C(C)CN(CC1)[S](C2=C(OC)C=CC(=C2)I)(=O)=O,YJZHCILIEWTQHB-UHFFFAOYSA-N
-0D265E3727C2D26E_FC4E8E2512D048B6_6038_UN,CC1=C(C=C(C=C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,SZVRWBAVKGRYPH-UHFFFAOYSA-N
-0E3E42AFB0A4019B_AA75D6C3064D88CF_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4C(C)(C4)C5=C(C=CC=C5)F,HLPVSAGETXIBCA-UHFFFAOYSA-N
-0F7708AD9440D6B3_EC6D0AB72AA862E2_6029_UN,N(CC1=CCCCC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,OVNOSCKNOHDXKP-UHFFFAOYSA-N
-119E138BDBB13492_F1607F73E7536576_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,YXWJJXHINIIZNV-UHFFFAOYSA-N
-13A4F7EFFB77B416_65E37B7D4A3DB07E_6041_UN,C1(=CC(=CC=C1)N2SC=CC2=O)N[C@H]4[C@H](C3=C(OC)C=CC=C3)C4,IOIWHKQWFSQMKF-DLBZAZTESA-N
-14036600B529EF10_D1C590FC40EE7323_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N4CC3=CC=CC(=C3CC4(C)C)C,DVMZWZUBIHEYJF-UHFFFAOYSA-N
-156CE057CE74C533_733A1B616B2C7A79_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(C=CC(=C3)OC)Cl,CYHNVJBJKKYWPN-UHFFFAOYSA-N
-15B3A8EDBD3CF219_AE696003D6D872DE_6038_DP,N2CCC(NC(C1=C(C=CC(=C1)OC)C)=O)C3=C2C=CC=C3,DXWJMERULNBOTI-UHFFFAOYSA-N
-15FD0606CA8AE8F7_3B39DB4441CC9FFF_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2C3=C(OC2)C=CC(=C3)F)C=CC=C4,GMQORYWSGJTPOS-UHFFFAOYSA-N
-1610F281159F54D1_1F66DC37365F3EC6_7022_UN,CN(C)C1=NC=C(C=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)Br,PZJIPUBYKHRRBB-ZDUSSCGKSA-N
-19240852FF1267A7_370F931D18D604A3_6028_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,UKIGYNHCPFDEDN-UHFFFAOYSA-N
-1AFE980A7AA8A2CD_10C5D29693AC853F_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,OKXHGTFHPLJJAI-LJQANCHMSA-N
-1C8C312F7DA3615E_0F1B89DF509EDEA5_6026_UN,[S](=O)(=O)(C1=CC=CC=C1)N3CCC2=C(C=CC(=C2C3)OC)Br,VCUGEEIINHCYDH-UHFFFAOYSA-N
-1C95A0CC36CA0687_73ED8FC92F717F29_6041_UN,FC2=C1C=CC=CC1=C(C=C2)N[C@@H]3[C@H](C(OC)=O)CC=CC3,DDBISDIIKZVGMS-ZBFHGGJFSA-N
-1CE3B6EF4D0AA489_637BA1F150F0C1BF_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(=C(C(C)=O)C=C3)C,AUNXRUFWQLIRJE-UHFFFAOYSA-N
-1D1B11789FD5D2DD_4AB8A7D5120B81D8_6041_UN,C1(=CC=C(C=C1)C2CC2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,QOZTZAGMEWICIE-UHFFFAOYSA-N
-209D59D2088B50AF_C25A12413DE26665_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC5=C(C(N4CCN(C)CC4)=O)C=CC=C5,GQCIXGGGRJCWMT-UHFFFAOYSA-N
-2158EE33294C2901_4527A56159F7D175_6029_UN,COC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,HBXRMFBBVUCWJO-UHFFFAOYSA-N
-2231B4D94BCC0C1D_388C73ABFC09B3DA_6041_UN,C1(=NN=N[N]1C2=CC=CC=C2)NC3CCN(C)C4(C3)CC4,AQGQWCKIMUMJBB-UHFFFAOYSA-N
-2231B4D94BCC0C1D_3F88497614EA9669_6041_UN,C1(=NN=N[N]1C2=CC=CC=C2)NC3CCN(C)C4(C3)CC4,AQGQWCKIMUMJBB-UHFFFAOYSA-N
-228FF1897D5BA5F8_39CFB4D0959AB4E0_6041_UN,CC2=C(C=C1OCOC1=C2)NCC3=NN=C(N(C)C)[NH]3,YRXGREBKHJIFRT-UHFFFAOYSA-N
-256A14D7312036F7_EC71E29167EDBF77_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCC(CCC2)C3=CC=CC=C3,QUJCTSUPLLOCHM-UHFFFAOYSA-N
-2571F633E3972197_B499970106A568FB_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@@H]3CCOC4=C3C=C(C)C=C4C,ROFSDDAPGLGCNB-HXUWFJFHSA-N
-28EC373B62E9272A_7BA806449B76BE2F_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NC5=C(N(C)C)C=CC(=C5)F,BHUSSLKQXFEIRJ-UHFFFAOYSA-N
-2C4C0B7F2C39A268_16797AE8CE4B6108_6006_UN,C1(=CC2=C(C=C1)NC(=CC2=O)C3CC3)C4=C(C)C=C(C=C4)F,HCSZVRPJTNZLTI-UHFFFAOYSA-N
-2C997E6E9A5D87F8_455A6811909B94A1_7019_UN,C(C1=NC(=N[NH]1)C2CC2)=CC3=C(N(C)C)C=CC(=C3)F,OEDHSRIHQGHXIZ-UHFFFAOYSA-N
-2CD65CC39165871A_5799CF47498B60C3_2875_UN,BrC1=CC2=C(C=C1)OCC[C@@H]2[N]3N=NC(=C3)C4=CC=C(N(C)C)C=C4,IBPNQULUXFRCED-SFHVURJKSA-N
-2ED8E40BE408116B_408111A9A6B6DA8D_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NCC4=CC=C(C(CC)C)C=C4,CBXZGCMCUPCBSF-UHFFFAOYSA-N
-31B07D6338A9E552_97D703DF5D3A9EA9_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OC3)C=CC=C4F,SMOPMDOSOUOCJM-UHFFFAOYSA-N
-31C39FA826269294_C15BDD7543CF8C72_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,IKZRKRRCEISXHC-UHFFFAOYSA-N
-33A8070D17CEC3CF_5A12CAEACCC4EAF2_6031_UN,O(C(=O)CC1=CN=NS1)CC3=CC=C(N2CCN(C)CC2)C=C3,IKDCGCTUQTVCLX-UHFFFAOYSA-N
-33BF37A13C47BF5B_14DD44CD4520B3EA_6034_UN,NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=NC=C(C)C=C4,OUCHGSPHJQKFOI-UHFFFAOYSA-N
-340AB300DF8768AF_528D39B5C40091F0_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@H]3CCOC4=C3C=C(C)C=C4C,CPVAPVNQVSTVGR-FQEVSTJZSA-N
-352D495B990EBBAD_120C517480922EE5_6029_UN,FC1(CCN(CC1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CC=C(C=C4)Cl,NVUMYFBTTYDAAW-UHFFFAOYSA-N
-360BEE86F5DF6CAB_5BCEB5413D1BFC84_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,IFVGRPPFUZYCJX-LJQANCHMSA-N
-3665A8DE95A05C9E_F4913B2D4197023E_6041_UN,C1(=CC2=C(C=C1)C(=O)CCCO2)NC3C4=C(OCC3OC)C=CC=C4,LPMCOXMHCLSQDL-UHFFFAOYSA-N
-3924A24DF73891D8_5D6548251C98B0B8_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3Cl)(=O)=O,GBIRLGYYEHSREB-UHFFFAOYSA-N
-3A4D5740FBBBA93B_0F8D224756FA61C1_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4,HMOMAEVRIUQVIH-UHFFFAOYSA-N
-3BACDD883603DE0D_715E21F5B6A4C852_7022_UN,COC1=CC(=C(C=C1)C)NC2COC3=C2C=C(C)C=C3,UUVFJQTZRFKTHW-UHFFFAOYSA-N
-3D7D32E2778F5CA2_7539A37C68AA7956_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=C(C(N(C)C)=O)C=CC=C4,ICLUMLJSMPKBGM-UHFFFAOYSA-N
-3E7F127EBC4B39B7_C38589907BAADBEC_6004_UN,CC1CC(=O)C2=C1C(=CC=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4,YERLMWUZQYNTHP-UHFFFAOYSA-N
-3F5E73240FE77473_96BA0CBB2128FEFD_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,JIPSINBGCPFNLB-UHFFFAOYSA-N
-400DCC3A46EC02CC_92D7DC9DD0F1C02E_7019_UN,COC1=CC(=C(C=C1)OC)C=CC2CC2C3=CC=C(F)C=C3,QJBBWIMICSXPPL-UHFFFAOYSA-N
-410C1004616D8D5F_CF1B41E967EAE195_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,ADUFDMBPAFSLAN-HXUWFJFHSA-N
-422CDBDED90719C5_FEFFB347EBBA268D_6041_UN,C1(=C2C(=NC=C1)[NH]C=C2C3CC3)NC6=CC4=C(SC5=C(C(N4C)=O)C=CC=C5)C=C6,FQPVLZDROCBVDA-UHFFFAOYSA-N
-438F3E58929ADC09_81D3B5344070CA00_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC(=C(C(N(C)C)=O)C=C4)C,GBRTYJIWQIOHLG-UHFFFAOYSA-N
-43F5392834A2CBA1_CF52EFD21D324130_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)NC3=CC(=C(CC)C=C3)C,AAHUVYBMLDEDMJ-UHFFFAOYSA-N
-45F92AC996525973_53D33059CC1C2DC1_6003_UN,CC3=C(OC2=CC=C(C(C1=C(C(O)=O)C=CC=C1)=O)C=C2)C(=O)CC3,WOSULAOFPRXYGU-UHFFFAOYSA-N
-47E0FF2382D15909_5C91B672A80BAF2C_6003_UN,CC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2CCC2,GMOSHNPXRJSPNT-UHFFFAOYSA-N
-4A70E372F0CDEE35_8129B6D3029AD0A8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N4CC=C(C3=CC=CC(=C3)OC)C4,VDTAVPGSXKQHOF-UHFFFAOYSA-N
-4A73299E237768BA_74E152919F1D097E_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(COC)C=C3)(=O)=O,LXEFVSFVCJIVND-UHFFFAOYSA-N
-4A7B6BCA02246140_34DCE3363F776F63_7017_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCN(C2=CC=C(C#N)C=C2)CC3,UDTJUBGIOFRLQO-UHFFFAOYSA-N
-4A7B6BCA02246140_ABF4FF66E5D2DC7E_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCN(C2=CC=C(C#N)C=C2)CC3,UDTJUBGIOFRLQO-UHFFFAOYSA-N
-4AD1FA0D6B08B7F2_337F667CAEEB8116_2875_UN,N3=N[N](CC2=NC1=C(COCC1)C(=O)N2)C=C3C4=CC=C(N(C)C)C=C4,QXHNFCVZIGFFOD-UHFFFAOYSA-N
-4CEA93F793FA3EF6_C156789913182850_6038_DP,N3C[C@@H](NC(C1=CC=CC2=C1C(C(=N2)C)(C)C)=O)CO3,MOACMRPOGYIAMC-SNVBAGLBSA-N
-4E2BE6FC8B35A082_9C2AE944524F626A_7019_DP,N1CCN(CC1)C(=O)C=CC2=C(OC)C=CC=C2OC(F)(F)F,WCWCXMPXOABNDM-UHFFFAOYSA-N
-4FAFEAF37F65642B_2C585779118D108C_6034_UN,O=C1N(C=NC2=C1N=N[N]2C3CC3)CC4=C(N(C)C)C=C(C=C4)Br,MJKCKHZPDYYSDD-UHFFFAOYSA-N
-513ADF3672CED550_05651DE3DA2567B9_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)C=CC=C4,XWBQDOJAJHWFJN-MRXNPFEDSA-N
-51B23E2616CA1FE4_759957C6773E1E67_6004_UN,CC1CCC(=O)C2=C1C=CC(=C2)C3=CC=C(CC)C=C3,ZIYJQARRXNTLFW-UHFFFAOYSA-N
-51EF24BFB0D3E716_D633285300671086_6034_UN,O=C1N(C(=CC=C1C#N)C2=CC=CS2)CC3=NN=C([N]3C)C4CC4,KVZDCFGEGKZROR-UHFFFAOYSA-N
-53DF09B33C78CB55_F7533279C5B1B4EB_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CCCN(C)CC(F)(F)F,LORRCAASSBBADI-UHFFFAOYSA-N
-53FCE9D7D1A002E4_42A0777D03E44825_7015_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,TVEIWULHAAIELO-UHFFFAOYSA-N
-551BD9AA7CD9408D_F006E5265D81C091_6028_UN,C2CN(CCC1=C(C=CC=C1)C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,RZWYXPPLLNCLNK-UHFFFAOYSA-N
-56665064EA04B922_3C3C00BCBDFFCBFA_6039_UN,CC3=CN1C(=NCC(C1)OCC2=NN=C(N(C)C)O2)C=C3,MFMNHEXFLCPZJX-UHFFFAOYSA-N
-578AAF2531893DC9_54CA09D66EB7CF1B_7019_DP,C(C(=O)NC2=C1C=CC=CC1=CC=C2)=CC3CC(OC)CN3,XXQVCDONAPBVBW-UHFFFAOYSA-N
-5C563CDC65120EAA_59808CA4452A356C_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H]3CCOC4=C3C=C(OC)C=C4,KXUVCXUZEFFFKL-OMOCHNIRSA-N
-5E4E791095D099CA_680F9150C24BAD20_6028_UN,FC1=C(C(=CC=C1)N2CCN(CCC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O)F,IWPMWPGLLFVIEK-UHFFFAOYSA-N
-602CF9FE3AD68D3F_3ECAFBCCCCE998DD_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,GROPVPJGTCOAJW-UHFFFAOYSA-N
-6210C3E7AF35170A_19A72E0CD7700000_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(CC)C=CC=C3C,LWZCSOZRORXJKO-UHFFFAOYSA-N
-6291C82FE7F3C597_8BD8C8831D51C062_6022_UN,CC1CSC(=N1)C3=C(CN2CCN(C)CC2)C=CC=C3,DMEUZXGTXZSSEE-UHFFFAOYSA-N
-62EF28B54A07B708_0258B1EF9C49826E_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,HPVVISYPDVZLLD-UHFFFAOYSA-N
-62EF28B54A07B708_6798946F8C0705D2_6027_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,HPVVISYPDVZLLD-UHFFFAOYSA-N
-62FE354C6584964B_6731A8F9EB702BF8_6041_DP,CCOC(=O)C1=CC(=CC(=C1)NC3=C(N2CCNCC2=O)C=CC=C3)OC,VYUPKAFPTKCZDQ-UHFFFAOYSA-N
-6430E6DD922C2F4C_2E51B20931D9D2F6_6041_UN,COC1=C(C(=CC=C1)OC)NC2C3=C(OC2)C=CC=C3,XROUGMAHRUXXDI-UHFFFAOYSA-N
-64A38F8FB5531173_9E20BBF936C2C090_6041_UN,C1(=CC(=CC=C1)N2SC=CC2=O)N[C@@H]3[C@H](OC)COC3,TYKGKTMWQNVYDG-QWHCGFSZSA-N
-65F3DF902EF9AD52_814DDEF73478C0AC_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=C(C(N(C)C)=O)C=C4,SPVUWZIAYPKXMQ-UHFFFAOYSA-N
-6942F2F56C06F12D_5F0CA94BB4535F09_6041_UN,C1(=CC=C(S1)C(=O)CC#N)NC2=C(C)C=CC(=C2)C4=NC3=C(C=CC=C3)S4,JKCRPUKYQRYNBP-UHFFFAOYSA-N
-6A54467500D82734_059B3F556E6712B1_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4C(C)(C4)C5=CC=C(C=C5)F,QUOHMGNIDUVIBW-UHFFFAOYSA-N
-6AD99943206F5CBF_56EDF177D4998E03_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CCN3CCN(C)CC3)C4=CC=CC=C4,FWWLSICLSHNNQE-UHFFFAOYSA-N
-6BE9709ADD84F4A3_2C488C3B8B6F3101_6041_UN,CC1CC(=O)C2=C1C(=CC=C2)N[C@H]3CCOC4=C3C=C(C)C=C4C,XSCZMNWPLOLXRG-RUINGEJQSA-N
-6D4F2DBA9791CA6B_12B71FC63EB5925D_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3CCN(C)C4(C3)CC4,QEONUFSIFHZZJK-UHFFFAOYSA-N
-6E6034AAF6DC5D0D_FDE40D81FB14E442_6035_UN,O([C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C=CC(=C3)OC)Br,PTSYKFBJONQVRS-WMLDXEAASA-N
-6E986AC4D201D585_F7EA6A790289B709_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,KMSGCAOESAHAPA-LJQANCHMSA-N
-72434347A058E493_EC4E4AB0048402FD_6041_DP,CC1(CCC(=O)CC1)C2=CC(=CC=C2)NC3(CNC3)C,HSHJNVSOPCTTGZ-UHFFFAOYSA-N
-746BE34B1A9B7EE1_14BA311196BC42F6_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,BPTHLJVIENJCOG-CQSZACIVSA-N
-7586C0DC82549BE7_C41B32A9A355FC25_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N4CCC(C3=C(C=CC(=C3)C)C)CC4,DHGKHKPQVKGXPK-UHFFFAOYSA-N
-7623CBC87A907CA2_4F3551FFAB212D01_6005_UN,C1(=CC(=CC=C1)CC2CNCC2)C3=C(C=C(C(C)=O)C=C3)F,KPTPAWYUMRARIP-UHFFFAOYSA-N
-764E0CC0B563AAA5_ABD646F16322C9EC_6028_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,FKWQHHKHUZXEAF-UHFFFAOYSA-N
-76F23B97E8A59AEE_BE90BECE44339E44_6034_UN,O=C2C1=C(CCC1)N(C3=NC=N[N]23)CC4=C(N(C)C)C=C(C=C4)Br,ITIZTRVVBZYHHO-UHFFFAOYSA-N
-7A8E0BF7FFC86748_C86C6FE0AED261A9_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C=CC=C3,SHVMFABULULVTP-UHFFFAOYSA-N
-7AA4ABC565D68DD5_BA262D02B04AB250_6041_UN,CN(C)C1=NC(=CC=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,TXHAPRNVNKAGBF-GFCCVEGCSA-N
-7AD0540AFB8418C0_2CEA68AC8FD36A33_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,MJLNGYGJDNVOBB-HNNXBMFYSA-N
-7AD5EAB4C8A83129_1EDF7B43A4AD57B6_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,SESMAMKKFNEYCU-UHFFFAOYSA-N
-7BB64A10F17B2FEE_A87F1C8BB25B0715_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4C(C3=CC=C(Br)S3)CCC4,QCUQJYLSYYVKLW-UHFFFAOYSA-N
-7BD1770CA1155109_DE98EE4BBFB79CBF_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CCC(C3=CC=CC(=C3)C)CC4,PXPAPWPRXLIDED-UHFFFAOYSA-N
-7BD790E2AAAAD502_5C43A11514E7730C_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,OKXHGTFHPLJJAI-IBGZPJMESA-N
-7C72DEDDCD4B5BF0_595948D126105458_6003_UN,CC2CCC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)CC2,YNDCOHJMKBUOJX-UHFFFAOYSA-N
-7E5CF06BF8660DA5_9232C8038B5E8A92_2201_UN,NC4C6=C(C3=NC1=C(C2=C(S1)CN(C)CC2)C(=C3C4)C5=CC=C(C=C5)C)C=CC=C6,QIFJTWLABAXYDA-UHFFFAOYSA-N
-7F29B5CCBEA98E29_D1827E623FEEB22A_6041_UN,C1(=CC2=C(C=C1)C3=C(C2=O)C=CC=C3)N[C@H]4[C@H](OC)CC4,GFUPROSMRBGCHP-IAGOWNOFSA-N
-806AE4F45F81ABC9_C5409B8EC9925CDD_6041_UN,C1(=C(C=CC=C1)C2CC2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,VSWVPBYLLLLARV-UHFFFAOYSA-N
-807F574A73BB1629_DFFDD44F3DF3BFE9_6029_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,IPQQXNPJLUNMOO-UHFFFAOYSA-N
-812C4E718B179DC7_EFE1CE8686A76F2E_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,DIGDQLDEDNDUAK-UHFFFAOYSA-N
-8165B2234BE08EB4_988AA20187F5D823_6003_UN,CC2(C)CC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2,GQLCZRHKPGIUIN-UHFFFAOYSA-N
-824364DF65C33624_A4C924838CC9F506_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(CC)C=C(C=C3)OC)(=O)=O,FISJUUMZNLNGLT-UHFFFAOYSA-N
-82FA54B4FBDD983D_05DDB4FCA0A45AF1_7022_UN,COC1=CC(=C(C=C1)OC)NC2C3=C(OC2)C=CC=C3,MOOQKSYVYSELQN-UHFFFAOYSA-N
-8524081C3F449A56_7611E8DEFE110459_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(CC)C=CC(=C3)F)=O,MXQHDTMYTMWWDR-UHFFFAOYSA-N
-865F0504CE651611_1E135FC86F7D6426_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3=C(C=CC(=C3)N4CCOCC4)[N](=O)=O,XIUSHKRRJRAEBQ-UHFFFAOYSA-N
-86911A7B2B18A156_15DDB61B5B7CA8DF_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CCC(C3=CC=C(CC)C=C3)CC4,UTCPIRZBNLYCIX-UHFFFAOYSA-N
-88BB99B1D0073137_B8D2DF79603B0D39_6041_UN,CN(C)C1=C(N=CC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,XBENOPUGIKAIFO-ZDUSSCGKSA-N
-890E5DAE5DC7AAA3_F1BB07B4A9C0135E_6027_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,HDVRBJLALJWTQJ-UHFFFAOYSA-N
-8C826DDA46A06F12_D825845ABAA8FE92_6041_DP,CC(=O)CC(=O)C1=CC(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3,ILNLRSSGLNKSAC-UHFFFAOYSA-N
-8E14BC45D589B723_FD5B7D4714603AC0_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC4=C(N3CCN(C)CC3)C=CN=C4,VHMLXDKDFSGCHM-UHFFFAOYSA-N
-9102B00CEA8756CF_D82A13F02CE4CEA5_6029_UN,FC1(CCN(CC1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CC(=CC=C4)Cl,KZPFZQCGYVBVCZ-UHFFFAOYSA-N
-9160173077F71082_7A62180DA00401C1_6041_UN,CN(C)C1=C(N=CC=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,ZWMKGOJDOCYNBV-GFCCVEGCSA-N
-9165234A192E8B64_7B7B6F9B0F83A755_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N4CCC(C3=CC=C(CC)C=C3)CC4,ZAZIXOIMULRDFF-UHFFFAOYSA-N
-92D07A2FD5AD3C78_1748C6C2BA500AB7_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,IFVGRPPFUZYCJX-IBGZPJMESA-N
-93B8C4CED04A42D4_97398DC38973EAA3_6028_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,SOJVYAUSPZRFLG-UHFFFAOYSA-N
-94858D6F92C6FB51_515661AD76F68B76_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,VFOPKSQVKLYBHX-UHFFFAOYSA-N
-9543EEE3CF2D9058_7A08AB18E5B475BE_6038_UN,CC1=C(C=CC(=C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,VSBSNKDIFSOWNO-UHFFFAOYSA-N
-95F501949BE6042C_19F8A6C9AB6A30CB_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,YZLVYUZLWARIBJ-UHFFFAOYSA-N
-95F501949BE6042C_3E2684292F53A2A6_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,YZLVYUZLWARIBJ-UHFFFAOYSA-N
-9640FAA6BFDBCB24_88B2484A89D44A79_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(C=C3)F)CN(C)C)(=O)=O,JMCTVUZIIVSRSK-UHFFFAOYSA-N
-98E6B1A79F07FF37_C6887B5606F1ECA0_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=C[N](C)N=N3)(=O)=O)C4=C(C=CC=N4)CC5,PGKZTQZTFWGAFZ-UHFFFAOYSA-N
-99A8754D71CDF7E7_97C86523E56BBCE0_6041_UN,C[S](=O)(=NC1=C(C=CC=C1)NC2=C(C=CC(=C2)N3CCN(C)CC3)[N](=O)=O)C,IMVUFPCWCYCBRG-UHFFFAOYSA-N
-9A9A21678A58A8FD_1E66DBBCE84C7B51_7019_UN,C(C1=NN=C2[N]1CCOC2)=CC3=C(N(C)C)C=CC(=C3)F,BXPVKBKCYVABTD-UHFFFAOYSA-N
-9B817B751E06616D_BB6C19FA85C2413A_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,KMSGCAOESAHAPA-IBGZPJMESA-N
-9BFA2DFF4320971A_98F78CBB91318E59_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,LPWBDUNBFPUTMY-FQEVSTJZSA-N
-9C35936614DB2076_D844DD50551F9CFD_6041_DP,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC[C@@H]3CC(CN3)(C)C,JYTCVAONLGSSSC-ZDUSSCGKSA-N
-9D10AB18B73F989E_1A67311D04DF9569_7019_UN,FC(F)CC(C=CC1=CC=CC(=C1OC)OC)C2=CC=CC=C2,SBKCPWZQTHXXHU-UHFFFAOYSA-N
-9E030DC662DD6427_1B04654998CF4E37_6041_UN,C1(=CC2=C(C=C1)C(=O)CO2)N[C@H]4[C@H](C3=C(OC)C=CC=C3)C4,UKMQVDPORXYLOX-LSDHHAIUSA-N
-9E030DC662DD6427_FEC28E0A5DCB3733_6041_UN,C1(=CC2=C(C=C1)C(=O)CO2)N[C@H]4[C@H](C3=C(OC)C=CC=C3)C4,UKMQVDPORXYLOX-LSDHHAIUSA-N
-9F018C94F95FB347_CB2D41518D9514ED_6041_UN,C1(=CC2=C(C=C1)C(=O)CC2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,WEPOZBSKBNZTBK-QGZVFWFLSA-N
-A15544B158233B0A_0FFDD8CECE9C0354_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC(N(CC)C)=O,OQHXKNJQPMSUQW-UHFFFAOYSA-N
-A2FE393E812C907A_EC6CE6D38934BD00_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=C(CCC)C=C2)(=O)=O)F,YTNLTAISCWFVQS-UHFFFAOYSA-N
-A517F3AC9829717C_EF8369018F0F4DDE_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C)C=CC(=C4C)[N](=O)=O,BUCKRIPBMOGMNO-UHFFFAOYSA-N
-A82C834F2A4B843B_7C18C95E22701452_2201_UN,CN3CC6=C(C4=NC1=C(C2=C(S1)CN(C)CC2)C(=C34)C5=CC=C(C=C5)C)C=CC=C6,OCPXEHVETGVKND-UHFFFAOYSA-N
-A82FC218FA91F56D_194FC534ED423A51_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,XOUXVEFBAAVAHP-UHFFFAOYSA-N
-A8C0C5B9225F9390_AC1278DA2A97B2EB_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3F)(=O)=O,OCJQEUGDHUELRU-UHFFFAOYSA-N
-AA1F0EBB776A0453_7CC19E5D24D32672_6041_UN,O=[N](=O)C1=C(C(=CC(=C1)F)F)NC3=CC=C(N2CCN(CC)CC2)C=C3,AEZMPOBAZPHYRT-UHFFFAOYSA-N
-AA3D14B4B0001ED9_57C7BF06F1E1A9F4_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CCN(C2=CC=C(C#N)C=C2)CC3,FCWNTMBSWLTMRC-UHFFFAOYSA-N
-ABD9852C86E704D6_908E197AA0983233_6039_UN,O(CC1=CC(=CC=C1)C3=NC2=C(C=CC=C2)O3)CCC4=CC=C(C=C4)[S](=O)(=O)Cl,DCRULMCIDLWEAA-UHFFFAOYSA-N
-AC06620E8BBE47B3_E0CD44FCBE6E52CB_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC[C@@H](C(OC)=O)F,MPGSOKGTZXUKEB-VIFPVBQESA-N
-AD388D23D490EA24_9D41764B92D79CBB_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2C3=C(OCCC2)C=C(C=C3)F)C=CC=C4,WUMJBSAARDCXKO-UHFFFAOYSA-N
-AD5AB431D435AF51_A185BEB39020AB5B_6041_UN,C1(=CC2=C(C=C1)C=CC2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,BUDCHEBTICUWHT-UHFFFAOYSA-N
-ADDEF1E4D69C3D79_A5075E177278274B_6006_UN,C1(=CC2=C(C=C1)NC(=CC2=O)C3CC3)C4=C(CC)C=CC=C4,KHEIKKJUQRPFBB-UHFFFAOYSA-N
-AE33B633E63EAFC3_A9E7FBA91E042E0F_6041_UN,C1(=CC(=CC=C1)C2CC2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,IFCBQJWELWHKQW-UHFFFAOYSA-N
-AEE012A4634FB2FA_C90B9300BC99B168_6034_UN,NC1C2=C(CCC1)C4=C(N2CC3=CC=C([S](C)(=O)=O)C=C3)C=CC(=C4)Cl,QHIRDQSRPZSYDG-UHFFFAOYSA-N
-B4890395B1F39E8A_583128DBE20C33D1_6034_UN,O=C1N(C(=CC=C1C#N)C2=CC=CS2)CC3=NN=C(C)[N]3C4CC4,SSZMUIGUWBOMND-UHFFFAOYSA-N
-B8B35DA17DAB382E_98FD57DBC1E54524_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]2C3=C(OCC2)C=CC=C3)C=CC=C4,KZMLIBZYLPGURV-INIZCTEOSA-N
-B8CE44D93FCCA89B_0F4DAE8FBDD33797_6006_UN,C1(=CC2=C(C=C1)NC(=CC2=O)C3CC3)C4=C(C=CC(=C4)C)C,IEJXIJFFEFIJCL-UHFFFAOYSA-N
-B987DE7604862211_7CD56F4CF7A62BFD_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)C=CC=C4,PCJDHIDVKDEPOU-KRWDZBQOSA-N
-BAA0D8294969ABFE_DB03D01A50852136_6004_UN,C1(=C(N=CC=C1)C2(CC2)C#N)C3=CC=CC(=C3)C(N)=O,PDCBFFBDCWAQCP-UHFFFAOYSA-N
-BC8EB800A7E37322_56B6203CE9FCA813_6005_UN,C1(=C(C=CC=C1)C2COC(=O)N2)C3=C(C=CC(=C3)OC)Cl,LCECZCCVPSEVML-UHFFFAOYSA-N
-BCCC672768C98446_4B2D5F51B522D42E_6041_UN,C1(=CC=C(C=C1)N2CC(CC2=O)C#N)NC3=C(CC)C=CC4=C3C=CC=N4,XMTSCCRTWDNEIC-UHFFFAOYSA-N
-BCCD91A9F3184C4D_4E8D08ED5AAFFC79_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N4CCC3=C(C=CC(=C3C4)OC)Br,FBLPSINKFJLZFI-UHFFFAOYSA-N
-BD837059BBBDEC6A_11C70F0B760591BD_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)NC3C4=C(OCC3OC)C=CC=C4,JGCWFWXTXGCEOO-UHFFFAOYSA-N
-C15B3CB728FA55A0_B776B97CB1C999BD_6041_DP,CCC(=O)C1=C(C=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3)C,DNQMXIXCZMXJAJ-UHFFFAOYSA-N
-C350B42BCC7CC8A1_E9E800A189FE780E_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,LRYMUBIRKJWXJR-UHFFFAOYSA-N
-C7BB930776026B9C_438DC1207B4ECE39_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2C3=C(OC2)C=CC=C3F)C=CC=C4,KUUSKRJLOPOJPE-UHFFFAOYSA-N
-C7CA7518DE100679_7896EA767075BEA8_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,VSYKBVNWUYMBSY-ZDUSSCGKSA-N
-C89A295D95BE91D0_FF92F0D6A8121140_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@@H]3CCOC4=C3C=C(C)C=C4C,CPVAPVNQVSTVGR-HXUWFJFHSA-N
-C8D3812688C1B6E1_C79AC06B18111F1F_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3OC)C(F)F)(=O)=O,AWIBFRWWJCSFGS-UHFFFAOYSA-N
-CBD6AFD35576248B_D725D1A5BA3F9572_6029_UN,CC(C)(C)C1=CC2=C(C=C1)CCN(C2)[S](C4=C3OCCC3=CC=C4)(=O)=O,MJLUMOQRXFMIKH-UHFFFAOYSA-N
-CC1F5E257D9C1ADB_5A30123B15522C15_6028_UN,FC1CN(C1)C2CN(C2)[S](C3=CC=C(COC)C=C3)(=O)=O,MTNYPCMDAAGYAX-UHFFFAOYSA-N
-CD44486FAFDDC993_7669AC984C5842F7_6041_DP,CCC(=O)CC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,QXZZWUXPQHFPMY-UHFFFAOYSA-N
-CD69BDF5709A3427_3B82B9434067D4DD_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,MJLNGYGJDNVOBB-OAHLLOKOSA-N
-CEB8417D16097099_15A5883ADBC2B743_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,ILAWGWZUIHQZQE-UHFFFAOYSA-N
-CF4BF68E8F2C1208_5CDB0E60C2B20BC0_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4C(C3=CC=C(Br)S3)CCC4,OEKYBMVHEMYAEI-UHFFFAOYSA-N
-CFAE2CF1BE7759F0_4DCE68DB880268E6_6004_UN,CC1CC(=O)C2=C1C=CC(=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4,OKVMJRAISOFUAE-UHFFFAOYSA-N
-D048CADCCE515BB4_6AD52383986BEC21_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,XSMPZMKUSICNKB-UHFFFAOYSA-N
-D118FBBF9F29BDDB_1CC74A711E0261FD_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(COC)C=C3)F)=O,OGDFZIHXUQCLFI-UHFFFAOYSA-N
-D168B51A881E210B_752514EF61CBE143_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,SSOZCKZVDJGLGQ-UHFFFAOYSA-N
-D1D960FC4418F138_AE4D04EF0B1C93C9_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2C(CCC3)=O)NC4=C(C(C)=O)C=CC5=C4C=CC=C5,QNXNXICSTAKDJO-UHFFFAOYSA-N
-D2AEA9DDBF3BC854_E273A97800643088_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(SC)C=C(C=C3)F)=O,VBHWUWPSUMMLRD-UHFFFAOYSA-N
-D44E82079C6329FF_FFBC27E4B781FD48_6041_UN,C1(=CC=C(C=C1)CC2=NN=N[NH]2)NCC3=CC=C(C(OC)=O)O3,AJCYWIMDVMZISO-UHFFFAOYSA-N
-D7EEF222CE0DF27D_7FF6C483C0F95C65_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2F)C(F)F)F)(=O)=O)C3=CN=CC=C3,MYRVMUODEVMGDV-UHFFFAOYSA-N
-D8BB7D555B2AB01C_6CD3D983DAD26A5D_6029_UN,O=C(N1CCN(CC1)[S](C2=C(B(O)O)C(=CC=C2)F)(=O)=O)C3=CC=C(C=C3)[N]4N=NN=C4,BBBBGGVWANJCLU-UHFFFAOYSA-N
-D8D02FEE9BF3A7E3_F3D3E01BE0DC9089_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3N=CN(C)C3)=O,AFDIYDSQKMUQEB-UHFFFAOYSA-N
-D9912C0D9C7CE440_FEA9E68DFB92DA7D_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)N[C@H]3CCOC4=C3C=C(C)C=C4C,CNJOUKYLCSLDSU-FQEVSTJZSA-N
-DB648F8DFF6BADFC_0A5EB8AB5BADA7DF_6038_UN,O(C1=C[N](=CC=C1)=O)C(C3=CN=C(N2CCN(C)CC2)S3)=O,CWXMUNMWHWHMGP-UHFFFAOYSA-N
-DB789992422047AA_05755506DCB1C303_6004_UN,CC1(C)CC(=O)C2=C1C=CC(=C2)C4=C3CCCCC3=CC=C4,BSOSQKAJYBGVDG-UHFFFAOYSA-N
-DC64C47048782418_518D196A3865FD5E_6027_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,CYVYFYVYBJJYJI-UHFFFAOYSA-N
-DF8546C1145CF6BD_0D3CB9260266AD89_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(CC)C=C(C=C3)C#N,RPLLXMZVCYARBM-UHFFFAOYSA-N
-E3B6F1F1AE29A1EC_7EA0612CE39B8E27_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,OMIDJWVEJPIPEP-UHFFFAOYSA-N
-E4A87D1518819972_A88FADB3D1D27B6D_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]3C4=C(OCC3)C=CC(=C4)C#N,ZABWQEBRBDUEGG-INIZCTEOSA-N
-E54520E02F654F6F_EB4E608C3E9E5D78_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=NC(CN3C)=O,MEVNSDRHJAIYSG-UHFFFAOYSA-N
-E5B60C0EFBDB27B6_AE25516DC8C9E09A_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]3[C@H](C2=CC=C(C(C)C)C=C2)C3,BEWKDFOQIQGKPP-ZWKOTPCHSA-N
-E64092BF1D8D000D_03D2E0FE5908FC18_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,BPTHLJVIENJCOG-AWEZNQCLSA-N
-E653CB9BC8B2631E_C005A41D14B9FCE1_6026_UN,CC1=C(C(=C(C=C1Br)Br)C)[S](=O)(=O)N3CCCN(C2=C(C#N)C=CC=N2)CC3,GRCZLBIHIUFNLU-UHFFFAOYSA-N
-E6838EC836EF5F78_610D15F836FF9A55_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=CC5=C(C=C4)CCC5,CLGSEIBQOIIDEM-UHFFFAOYSA-N
-E6D790E6FE51A83B_BB7A4625851EFF8C_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC5=C(C(N4CCCN(C)CC4)=O)C=CC=C5,MUNAXFXCLUOLCZ-UHFFFAOYSA-N
-E74DD4CCA5CF0925_CF80990727C1B5F4_6041_UN,FC2=C1C=CC=C(C1=CC=C2)N[C@@H]3[C@H](C(OC)=O)CC=CC3,AQPUVMRAPTZVJU-PBHICJAKSA-N
-E7A594F4601C6F43_190BD892CBF6FFAE_6041_UN,OC(=O)C2=C(C=C1C=CC=CC1=N2)NC3=C(C)C=C(C=C3)N4CCOCC4,DZBVCJLQZNKCOV-UHFFFAOYSA-N
-E827AB454164F1F3_F15EF69EF029D33B_6028_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,FOCNLPXDCJAPOV-UHFFFAOYSA-N
-E942653ABB2ACAEB_95A6238923B8B938_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(F)(F)C#N)C=C3)(=O)=O,JBUFUSKLHKQPIT-UHFFFAOYSA-N
-E956AAD47D119B94_1D781ECC73225FBF_6004_UN,COC2=C1C(CCC1=C(C=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4)=O,QPEQGCIDFAOWBN-UHFFFAOYSA-N
-EACF79334667BC76_512EC37A770C1C09_6006_UN,C2(=C1CCC(C1=CC=C2)=O)C3=C(C(C)(C)C)C=CC=C3,GODVOBHZFFBRES-UHFFFAOYSA-N
-EACF79334667BC76_FD817F1AA5E9461F_6004_UN,C2(=C1CCC(C1=CC=C2)=O)C3=C(C(C)(C)C)C=CC=C3,GODVOBHZFFBRES-UHFFFAOYSA-N
-EC6B624B8BA017E9_434925A8D8113568_6041_UN,C1(=CC=C(C=C1)C2=CC(=O)CCC2)NC3C4=C(OCC3OC)C=CC=C4,OPDFUJPDWHNALI-UHFFFAOYSA-N
-F130BD63EE66EAB5_E76A6D85DA9418F0_6026_UN,CC1=C(C(=C(C=C1Br)Br)C)[S](=O)(=O)N3CCN(C2=C(Cl)C=CC=N2)CC3,KQPIQBJUZCMYPX-UHFFFAOYSA-N
-F1AE187E216DC209_390CD7B501AC836A_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4C(C)(C4)C5=CC(=CC=C5)F,KICFTFMYBKAIFU-UHFFFAOYSA-N
-F44EFD48DF66D74E_BC987091091B146A_6041_UN,CN(C)C1=NC(=NC(=N1)NC2C3=C(OC2)C=CC(=C3)F)N(C)C,QMJCSWINWVJFBN-UHFFFAOYSA-N
-F54A45355B33081F_0D321EE7A2EC1734_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(OCCC2)C(=CC=C3)F,YZKCYQROHNYVIO-UHFFFAOYSA-N
-F57C09D6EF6356D3_80820C98ADDB9461_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,GBPCWYDRQYIKIZ-OAHLLOKOSA-N
-F5F318AFDE001915_273F4A6FD2FAB6D6_6028_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,MJGPYMWXLJSDEJ-UHFFFAOYSA-N
-F82EB07B6EFE2255_713AF1B3993C0776_7019_UN,C(C3=NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)N3)=CC5=CC4=C(N(C)CC4)C=C5,SDDULBJYHSJXTG-UHFFFAOYSA-N
-FA6CECFD9B04D5A3_9A1C8CCBEB1365C3_6038_UN,CC1=C(C(=CC=C1)C#N)SC(=O)C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4,BACXHVIGKJRCLW-UHFFFAOYSA-N
-FAC01E3E51DD4731_8BA17B1F58B8B957_7015_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,PRNGWVBDFQUUHH-UHFFFAOYSA-N
-FB1F76C5E886CD98_11CDA046B0871804_6041_UN,CC4(C)CC(=O)C1=C(N=C(C=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)C4,VFOCXWWFJIMKHZ-INIZCTEOSA-N
-FC33A3D9B26275E9_087963419201FB8A_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC=CC(=C2)N3CCN(C)C3=O)[N](=O)=O,AYONDZRCRRBCKQ-UHFFFAOYSA-N
-FCF8B7F416351C0D_CE038ACA50CB3F5C_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(C(=C2[N](=O)=O)OC)O,GZZKCBWSAILYDD-UHFFFAOYSA-N
-0091ED769AD6F915_B70E833C48ABD8C5_6026_UN,CCC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)Br,XZMLLZNNVKCHSW-UHFFFAOYSA-N
-00A6C0C8297A127B_850FF8E75391C398_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=NC=C(C=C3)N4CCCC4,HXDSNJUMVLLFCA-UHFFFAOYSA-N
-012B994FBC60276A_E7D28B5C6249F051_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3(C(N(C)C)=O)CC3)=O,NNVJYQNVMUVHKT-UHFFFAOYSA-N
-02C91E39037FF420_FA94C1FEBD2252AF_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=NSC5=C4C=CC=C5,FQTVCLDYWRJAQW-UHFFFAOYSA-N
-02F30FC8A19DBBE3_72BD4F6D6BC8F12F_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3([S](N(C)C)(=O)=O)CC3,LTXTZMQHBUJGGZ-UHFFFAOYSA-N
-03EC99772B6CB790_A6D16F33352BEFDB_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=CC(=C3)[S](=O)(=O)F)=O,JWOPSNCUQFDTDP-UHFFFAOYSA-N
-0520081345139981_4525FC6974028856_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)C)F,IFILPLPWGQIFAZ-UHFFFAOYSA-N
-05774FADC04792AC_9A80B8AAB1A9D51A_6039_UN,O(CCCCC(F)(F)F)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,ODEZHUKMORPNAH-UHFFFAOYSA-N
-0623DF20F65E9579_7CFAB49DF26DB3C7_6038_UN,COC(=O)C2=CN=C(CCNC(C1(C(N(C)C)=O)CC1)=O)S2,XJCBLGQMCDRVGT-UHFFFAOYSA-N
-063FB0EFA5F49E66_4E399E6189C89868_6029_UN,COC1=C(C=CC=C1)C2CCN(CCC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,KBWHXRLXFJJZNN-UHFFFAOYSA-N
-09C9DEAFABAC0B3E_81C8ED8583126B89_6026_UN,CC1=C(SC2=C1C=C(C=C2)C#N)[S](=O)(=O)N4CCN(C3=NC=C(F)C=C3)CC4,BCUCGYABZVAAJZ-UHFFFAOYSA-N
-0A8274456496E577_383B1DB2FA8342CA_6038_UN,COC(=O)C1=CN=C(CCNC(CC(C(OCC)=O)(C)C)=O)S1,KLRSWPAMHRROJB-UHFFFAOYSA-N
-11386E86463F6293_D590E35B7FBB8058_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2C3=C(OCCC2)C=CC(=C3)F,JJPLGQKYIWOJJL-UHFFFAOYSA-N
-1253AF74FB8729A9_137EFB90096B86BD_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,RCPLNKBXXPLVMV-UHFFFAOYSA-N
-128F731A736133D2_13C00379DB526C75_6038_UN,CN(C)CC(OC(=O)C1=CC=CN2C1=NCC2)C3=CC(=C(C(=C3)F)F)F,NOMAIDRSXWXFRH-UHFFFAOYSA-N
-1590149938EB2A79_23A6C40D9524113F_6036_UN,CC1=C(C=CC(=C1)[N]2C=CC=N2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,JRZOXXNJCXBYBJ-UHFFFAOYSA-N
-16620CB308456C21_03C025948FC8F708_6006_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)C2=C(C=CC(=C2)C)C3=CC=CC=C3,AACNVRBNXMAVKL-UHFFFAOYSA-N
-16FCA8BBEEC596BA_076B1BD94DF18878_6039_UN,OC(=O)C1=C(C2=C(N=C1)C(=C(Cl)C=C2)F)OCCC(N4CCN(C3=CC=C(OC)C=C3)CC4)=O,CBAPNHSKMVVYHC-UHFFFAOYSA-N
-17A06F82E229BE22_DBE445C725A7ED90_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCCN([S](=O)(=O)C4=C3C=CN=CC3=CC=C4)CC5,CMJAPMZVXRZYRK-UHFFFAOYSA-N
-1866D6D3598FDC9F_53FE147B811C3E56_6034_UN,NC1CCCC(C1)C3=NC2=C(C=CC=C2)N3CC[S](=O)(=O)Cl,JIDSNPITMTWGSU-UHFFFAOYSA-N
-1945BD2716A08212_86F30B4D862B3D5D_6034_UN,CN(C)C1=NC=C(I)C(=O)N1C2=NN(CC2C)C3=CC=CC=C3,WYRBDULQGQIBFY-UHFFFAOYSA-N
-1A64FEB47303C504_8BD0F34C53C82B68_6041_UN,COC2=C1C(=NC=NC1=CC=C2)NCC3([S](C)(=O)=O)CC3,XJKIPBKIIZPNSR-UHFFFAOYSA-N
-1CB72CF19905D183_F6028B1744011382_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=CC5=C(C=C4)OC=C5,DTQKHRNHXGOVCK-UHFFFAOYSA-N
-1D7BE3EF0755D43D_58CB75A57D2D4F78_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCN(CC)CC3)C=C4,SJOUFGQPTSSMTB-UHFFFAOYSA-N
-1E4AF4D77D4B3E00_B391F75E2B786894_6035_UN,CC(OC1=NC=CC(=C1)[S](=O)(=O)F)C2=CC=C(C=C2)C3CC3,JHGNVVOCDIAQKL-UHFFFAOYSA-N
-1F5CE65BEE8885A8_2C7319652037B5AD_6031_UN,CC1=CC(=C(C=C1)C)N2N=C(CCC2=O)C(=O)OCC[Si](C)(C)C,HXQAZGDBJQMSTH-UHFFFAOYSA-N
-1FF9B3AB9A2340FE_727FFC987B9F0310_6035_UN,O(C(C=C)C1=CC(=CC=C1)C(F)(F)F)C2=CC=C(C=C2)O[S](=O)(=O)O,KTFJDTTUVPCAHU-UHFFFAOYSA-N
-21DFDC750EAE60F2_7A10ADF1EFF22BD3_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CCN(C)C3CCNCC3)C4=CC=CC=C4,OHXPIQAMPRRTSX-UHFFFAOYSA-N
-23DDE37F3D6C5E87_07605A251C631EFC_6039_UN,CC(C)(CCCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)C#N,XLNRRNHLWXMRAP-UHFFFAOYSA-N
-24220796CBC27098_4F19A39A38B5796F_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)C2=CC(=CC(=C2)F)F)=O,GQDUPHZHEAYKKU-UHFFFAOYSA-N
-2465D5E0EC54E03E_42E950868AFE48B8_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2O)C(C)(C)C)I)(=O)=O)C3=CC=NC=C3,QYGCCBXVXQBHGG-UHFFFAOYSA-N
-24F47062CD613FDC_12CA0334C2C2A44B_6041_UN,CN(C)C1=NC3=C(C(=N1)NCC2(CC[N](C)(CC2)=O)[S](=O)(=O)C)C=CC=C3,VHQWXONUBQWTAI-UHFFFAOYSA-N
-254943CD2E34167C_E59A8B36159A9929_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,LBRPOOOUCQPZHR-UHFFFAOYSA-N
-2603F37E5BFB70C9_F0A9C531D42FBC4A_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3=CC=CC(=C3)C[S](C)(=O)=O,YVRXJOLPYFYKLI-UHFFFAOYSA-N
-28BECA1D89174515_714D072E69E6AE04_6038_UN,CCN(CC)C(CNC(C=C([P](CC)(=O)O)C)=O)C1=CSC=C1,UXBKCXQFUAXLAD-UHFFFAOYSA-N
-28F46F8A7BDDF129_5506EAC80787B5B4_6041_UN,C1(=C(C=CC=C1)OC2=NC=CC(=C2)C#N)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,BHWMSBXEUHWMQZ-UHFFFAOYSA-N
-29489C90DF21BBB1_099FB3C85C3396E2_6038_UN,COC1=C(C=CC(=C1)NC(C2(C(N(C)C)=O)CC2)=O)[N]3C=NN=N3,BQOGVRXDMLUWMH-UHFFFAOYSA-N
-2A0EDB5FF49689F5_DCCB3411F9037BAF_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=CC(=C(Cl)S4)[S](=O)(=O)Cl)(=O)=O,ZEYCJQRGSVQMTI-UHFFFAOYSA-N
-2A0F8466D9EA5400_1D3EAE41B498668A_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,SZOUTRMQUCKJPX-UHFFFAOYSA-N
-2A8F447B98B08328_123202B4C60295E2_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,UKILLTZJDWIEDQ-UHFFFAOYSA-N
-2DD8D72030697ED8_4E33484D3E87CC0E_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CCCC3=CC=C(C=C3)[S](=O)(=O)Cl,FYCLBDKFCFTFSV-UHFFFAOYSA-N
-2F89C4E8E7044A7C_4B7615F564A3B84D_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,NSIDBEXNZAASPT-UHFFFAOYSA-N
-2F9975E8ECCA8424_B119CDEE44C6E3A1_6026_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)Cl,UBAXPXRNGVUQDO-UHFFFAOYSA-N
-2FAEAB8AAA655A11_53EA249BE13231CB_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC3=C(C)C=C(C=C3)C(=O)N4CCCC4,RBJLSDOMBKLBAP-UHFFFAOYSA-N
-30A0327909A7AE2C_6138F3A0AAEEBD97_6038_UN,CN(C)CC(C#N)C(OC(CN1C(CN(C)C1=O)=O)=O)C2=CC=CC=C2,CPFBTKWBWRTYBI-UHFFFAOYSA-N
-30C23EFEA151B9D0_C64FC6029B9108D8_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)O[S](=O)(=O)O,ANRQQDFHRSZXJC-UHFFFAOYSA-N
-31B0EFD45107C8A1_9948ADF74D9A0A53_6039_UN,O(C2=C1C=C(C=C(C1=NC=C2)F)F)CC(N3CCN([S](C)(=O)=O)CC3)=O,BDJRMXUCXRRBDK-UHFFFAOYSA-N
-32BCEB0902BE9D30_39CDE1C409A4855F_6026_UN,ClC1=C(C=CC=N1)[S](=O)(=O)N4CCN(C3=CC=C(SC2=C(C=C(C)C=C2)C)C=C3)CC4,UFVPHOUQGMBFCV-UHFFFAOYSA-N
-332BB6E386A6F3BE_13C439C94DFD96C6_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=C(C=C3)C(=O)N4CCOCC4,AWMHJPHFCAEOFQ-UHFFFAOYSA-N
-334DBFD046185DAD_217024DB687F9C14_6038_UN,O(C1=CC=C(C=C1)N2CCOC2=O)C(C3=C(OC)C(=C(S3)Cl)Cl)=O,MHPYFZMHQONRAB-UHFFFAOYSA-N
-35926A9E4138F6A8_D02A20C547607A34_6039_UN,COCC(F)(F)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,GKDBVZWGQZISKY-UHFFFAOYSA-N
-3924D4BB386F762A_865EBCCD6708F6E8_6038_UN,CC(OC(C=C([P](CC)(=O)O)C)=O)CC[N]1C=CC=N1,FLQFAJYXTMKZBL-UHFFFAOYSA-N
-3B46266EEB3E6782_E766BAA268FFC3DF_6029_UN,OC1(CN(C1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZTNHRTIUSKSERK-FQEVSTJZSA-N
-3B9EE9F7B0647787_A3F0C4ECA71957FA_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Cl)Cl)[S](=O)(=O)Cl,GMEHFSAJRXOSFW-UHFFFAOYSA-N
-3CC9F806AECFDAFA_1E33823FEE722737_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC3C2=CC=CC(=C2OCC3)C,HKAWYTYHUZQZAA-UHFFFAOYSA-N
-3D459B6F6C319660_E9FC5A53D80450D4_7022_UN,C1(=C(C=CC=C1)COC2=CC=CC=C2)OC3=CC=C(C=C3)O[S](=O)(=O)O,IOISEYQSSLANKY-UHFFFAOYSA-N
-3D593AC2BF90A2E2_FA2ECC038C52A024_6039_UN,CC(F)(F)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,QOUXIKUIVBZVHB-UHFFFAOYSA-N
-3D7042CB0981CE4A_923B160DD4CA2FC7_6041_UN,FC2=C1C=CC=CC1=NC=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,JTDYLIXPQQJTKG-UHFFFAOYSA-N
-3E260561591B9A22_5040B224A90A8344_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,NWXRUFLHKNBJEH-UHFFFAOYSA-N
-3E32332D9D89A3B1_46DBC1E25DB078A1_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4,NOZPAEYRBIXEGY-UHFFFAOYSA-N
-3F182150D6EBE819_80B6CCCA8E670AF2_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCCN3CCN([S](C)(=O)=O)CC3,MPEATHKHYQTXRR-UHFFFAOYSA-N
-405ACDB1F7EDB587_77BE4EB740D8DCBC_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4NCC4,YWRXQMNGBPYXMF-UHFFFAOYSA-N
-40CE1DA250CBDBD7_A4D6FF779DCBD417_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=CC=C2)Br)CC=C,RXGQYOLFALILPP-UHFFFAOYSA-N
-411775A134CC1850_653E614797FED8DE_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC(C)(C)CCC#N,OIJVBBKAYSCAHV-UHFFFAOYSA-N
-439EF30A0E5B8A13_1911A19C8B5D8D78_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCCN3CCN([S](C)(=O)=O)CC3,MAQWUMHPDPEPRQ-UHFFFAOYSA-N
-43AF59DB2258146B_C42B60AC5488CE30_6038_UN,CC3=CN1C(=NCC(C1)OC(COC2=C(C)C=CC(=C2C)[S](=O)(=O)Cl)=O)C=C3,BYSDGUJUDGTOMF-UHFFFAOYSA-N
-4469A4B312DC056E_51405476CA3C19E9_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N4CCN(CC3=CC=C(C2=CC=CC(=C2)Cl)S3)CC4)C#N,YTPYIKAHGKGYAZ-UHFFFAOYSA-N
-44C61C6C9769FD60_164B65EA10C9F96A_6036_UN,C(C1=CC=C(C=C1)C2=CSC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,ILQWCBTTWBYIAQ-UHFFFAOYSA-N
-45CAB683CFE71C6E_552EB2A63D2D31FC_6041_UN,CC1=C(C=C(C=C1)N2N=C(CCC2=O)C(=O)O)NC3=C(C)[N](N=C3)C[Si](C)(C)C,POHUGLNZCRXGJT-UHFFFAOYSA-N
-468116904D7D2983_ADB35F2BED2ADC6F_6034_UN,ClC2=C1C(=CN(C1=NC=C2)CCC(N3CCN(C)CC3)=O)[S](=O)(=O)Cl,PASJJONMJPKJPC-UHFFFAOYSA-N
-4687A61C4067F29F_8247B93E880E50E7_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3)C)CC4,OYRHDCLOPIJFMH-UHFFFAOYSA-N
-4A0EC6C9D8ABA491_B0547061565677A3_6036_UN,CC1=CC2=C(C=C1)N=CC(=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,OSCBVOWBGGBVFM-UHFFFAOYSA-N
-4AEC5D6A1808468F_AEE37B77E49B12B8_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(CC#N)(C3=NC2=C(C=CC=C2)S3)C(F)(F)F,BTCPZAJMODMEKL-UHFFFAOYSA-N
-4BC47D34EBF67804_55CF4C4051172B16_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3=CC=C(C=C3)C4NCCC4,PPFJSZFGZLDLBZ-UHFFFAOYSA-N
-4C57C9A67CF32537_4136A20E8EFE4B26_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CCOCC3,UDXDNLMRIYCFQR-UHFFFAOYSA-N
-4C6554B207084C6A_78FC6D4FF02DEC71_6038_UN,O(C1=C(C=CC=C1)N2CCCC2=O)C(C4=C(C=C([N]3N=NN=C3C)C=C4)F)=O,CSWMHXNIEYZAHU-UHFFFAOYSA-N
-4CD1CDE6F6E6A2D6_B466D8EFFEDF5631_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=C(C=C3)[S](=O)(=O)Cl)=O,LLKUOLBULYBPHC-UHFFFAOYSA-N
-4E9E8349F3DAF0CD_944D06CB5FF16EAF_6031_UN,CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,HTKDQIHDBIMZSW-UHFFFAOYSA-N
-4F718E95469CBB5C_8E9EEB0476757891_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=C([S](C)=O)C=CC=C2)(=O)=O,PQGFYQWOPHCAMG-UHFFFAOYSA-N
-50BB1BD3C68FFBD2_814D2027D52663D7_6026_UN,CC1=C(C(=CC(=C1)F)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,YNCBOYVDASMXIM-UHFFFAOYSA-N
-50D575C306592268_F36C8B6425B30E5B_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,SQBKUFPGOWHRIH-UHFFFAOYSA-N
-52D8A8ECA1164A59_AF79A46121992645_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2C(C)COC3=C2C=CC=C3,TZCKLZXTOBQEIS-UHFFFAOYSA-N
-53187C525DC38A4D_2C72B44AC055E6D4_6029_UN,C1C=C(CN1[S](C2=C(C=CC(=C2)OC(F)F)F)(=O)=O)C3=CN=CC=C3,JJNYZCYSYHUSBT-UHFFFAOYSA-N
-53D6DD36E967D344_9834907CAAD5D1A3_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4)Br,YADABUOJLJWCDN-UHFFFAOYSA-N
-540B155ABD036499_1EE451B8304FB7FC_6038_DP,OC(=O)CNC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O,KYLDDMDANCRZOQ-UHFFFAOYSA-N
-549912DC3281C890_89B503FFC70B290A_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCCN([S](=O)(=O)C4=C3C=CN=CC3=CC=C4)CC5,XRUFCFMZLRIDRS-UHFFFAOYSA-N
-550283D9526A9AAE_DAFE11F0CDB7BDDF_7022_UN,CC1=CC(=C(C=C1)C)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,GZMBDDFBVPYGES-UHFFFAOYSA-N
-55B65A9122C6AEE2_E6EEC4E9EA87790E_6038_DP,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4ON=C(C3CNC3)C4)=O,WKNUULLBAPTOOI-LBAUFKAWSA-N
-565532B11D0490AD_22083D8B78D98C35_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=CC(=C2)N3CCCC3)(=O)=O,XNIVPTUAUFXXMH-UHFFFAOYSA-N
-565CBC93114DDD54_DA36E64CA22B2356_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,WOAFRTZKPABMNJ-UHFFFAOYSA-N
-572727AC9F758C1D_71153BD59DADAAFF_6038_UN,CN(C)CC(NC(C2[N]1C(=NN=C1C)CC2)=O)C3=CC=CC=C3,HJHURTHHYRIYIH-UHFFFAOYSA-N
-5862C370F0921D75_428E07161C57ADE4_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)[C@H]4C[C@@H](N)C4,PJVVPPLUHWQLOD-PHIMTYICSA-N
-5C14CAB0D2F6E73C_2862305A0F6AC173_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC5=CC=C([S](N(C)C4CCCCC4)(=O)=O)C=C5,MPCGMSFCJFVVPK-UHFFFAOYSA-N
-5C84AF3DCC26CBAC_A5C01A7C11C34BFA_6009_UN,CN1C(=O)C=C(C1=O)C(C(N2CCN(C)CC2)=O)CC3=CC=C(O3)[N](=O)=O,PXJYKZRTLWPFMX-UHFFFAOYSA-N
-5C888AF8F2B468D0_A43D5268298ABB5E_6038_UN,CC(C)C(CNC(C=C([P](CC)(=O)O)C)=O)C1=CC=N[N]1C,OGMYIMZQLUYBPL-UHFFFAOYSA-N
-5CCF3811F30CB4A8_410D9D57DACDB33C_6041_UN,C2(=C(C=C1OCOC1=C2)CC#N)N[C@H](CF)CCC(=O)O,AZUBELUTUPQXDT-JTQLQIEISA-N
-5DC1430F044DB206_1296AB627DB0A4C0_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)C=C(C=C3)[S](=O)(=O)F)=O,NAKSXKUTQFBEFZ-UHFFFAOYSA-N
-5DC4DF05CD3301F8_41B08414FF490206_6038_UN,COC(OC)C(OC(=O)C1=CC=CN2C1=NCC2)C3=CC(=C(C=C3)F)F,DIRRNCZQNUSUII-UHFFFAOYSA-N
-6126BFAA2E766647_EA3D5346E57700BF_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,BHELOAHPDQZVAB-QGZVFWFLSA-N
-6138A645C0E0D64F_87BCEC6681936F93_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4C=CSC4=CC=N5,AQWBOIFKXBUXRV-UHFFFAOYSA-N
-6418930EC22F74AA_9FE3C6EC87A5999D_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2)F)[S](=O)(=O)Cl,GQWZINOZXRSCDJ-UHFFFAOYSA-N
-65147745604664AD_38BF55C4462CA76F_6026_UN,FC1=CC2=C(C=C1)SC=C2[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,YWOGHGXADBTBOK-UHFFFAOYSA-N
-656C693204184070_A86E3E86E73C2C5E_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CC5CCC4C5,PDKITJKROVSPSC-UHFFFAOYSA-N
-6594B2B0B8AD438A_16409D37F1AD20F9_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C2=C(N=CN=C2)C3CC3,XLJFJFSOPHDBRI-UHFFFAOYSA-N
-659CEAF0F0230506_4E16A46FE8315C31_6036_UN,C(C1=NC2=C(C=C1)C=CC(=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,VCIONCKTZXSURI-UHFFFAOYSA-N
-67710FC286B243B1_C70FCC849BCC21DD_6029_UN,O=[S](=O)(N1CCCC1)C2=C[N](N=C2)[S](C3=C(C=CC(=C3)N(C4=CC=NC(=N4)OC)C)C)(=O)=O,NMCNTMRCIOSWIK-UHFFFAOYSA-N
-67AC5E66EDD34C14_8DD6969BDF358F0C_2201_UN,CC(C)C1=CC4=C(C=C1)OCCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,HYFCNDAUZAXNTK-UHFFFAOYSA-N
-68408B7D8A28752F_6DCCCD63A46979FE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)(=O)=O)CCOCC4,XDBALHIFLXNTBH-UHFFFAOYSA-N
-6901B5ACBFFC6E73_CB95A587EB5421F1_6039_UN,O(C2=C1C(=CC=C(C1=NC=C2)F)F)CC(N3CCN([S](C)(=O)=O)CC3)=O,SAFWQMXGSUYNKF-UHFFFAOYSA-N
-693EEC205184301A_9DCC676B555A988B_6026_UN,FC1=C(C=CC=N1)[S](=O)(=O)N4CCN(C3=CC=C(SC2=C(C=C(C)C=C2)C)C=C3)CC4,TWCXUSTUNGDUKT-UHFFFAOYSA-N
-699483A7A8368ADA_51B0F73FF25D60FC_6026_UN,ClC2=C1C=CC=C(C1=NC=C2[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4)Br,FWXKEPVCPVNBRN-UHFFFAOYSA-N
-6A99A6B4C738C931_6019813FE87D1F67_6036_UN,C(C1=CC(=CN=C1)C2=CSC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,LARNWDMBFVTXMC-UHFFFAOYSA-N
-6ACE7C7F56BA2158_7FE62A9EE65E338D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C)C=CC=C3)CCOCC4,RVLAXHYPRSMNTC-UHFFFAOYSA-N
-6B9288805DFF3643_096091ABB1DE636F_6026_UN,FC2=C1OC=CC1=C(C=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,MYXIXDZHRYDBNG-UHFFFAOYSA-N
-6C6F676DB8412931_7E8D415BB961B4B7_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3=C(OC(C)C)C=CC(=C3)[S](=O)(=O)N4CCCCC4,NLMYZVLMUVKTTJ-UHFFFAOYSA-N
-6E5B66B5C6DDBA0D_DFAB0566600FF774_6029_UN,N(C1=CC=C(C=C1)C2CC(C2)(F)F)[S](C3=CC=C(SC)C=C3)(=O)=O,YAIDQANJZDBXSW-UHFFFAOYSA-N
-7151A27A22378371_E84BCB975EABE191_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C)C=C3)[S](=O)(=O)Cl)=O,XYDORMQGAFEZCI-UHFFFAOYSA-N
-71A7E312986500D7_08D87A8F2D813170_6043_UN,CC1=C(C=CC(=C1)N([S](=O)(=O)C2=CN=CC=C2)C3CC3)C#C,HKTXWNBHRJDRIW-UHFFFAOYSA-N
-72486CD9C7AD2D51_180A047319918349_6041_UN,CC(C)[N]1C(=NC=C1N[C@@H]2C3=C(OCC2)C=CC=C3)C,UOXPCGRRHHRMBR-AWEZNQCLSA-N
-742019C8E500A8BE_46D2622C3442ECF9_6038_UN,O(C1=C(C=C(C(=C1)Cl)Br)F)C(C2=NN(C)C(CC2)=O)=O,NBQYZSFEKASAFL-UHFFFAOYSA-N
-7465E62BA61129DD_1B5CDED7622C9B79_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=CC(=CC=C2)SC3=CC=CC=C3,IQPUSLLMNZANNR-UHFFFAOYSA-N
-75F2D5B3301349F8_5ECC4ADF728CF038_6026_UN,[S](=O)(=O)(C1=CC=C(O1)C2CC2)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,IEZVFGDCFTXNSE-UHFFFAOYSA-N
-76A3C01CB588E830_683B065A8A0A3562_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC(N(C)C3CC3)C4)Br,DWOMPSMZUYVSTD-UHFFFAOYSA-N
-772A1304AE6C0970_8A701BA6450F309D_6026_UN,CC1=C(SC2=C1C=C(C=C2)C#N)[S](=O)(=O)N4CCN(C3=NC=C(Br)C=C3)CC4,UXALRFAWJQYACE-UHFFFAOYSA-N
-774925ED995C73B1_1A409114B6F0B982_6036_UN,C(C1=CC=C(C=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,YGRDURWBJPEELZ-UHFFFAOYSA-N
-77688DFB617355BF_04D970D94133AD8D_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)C2CCN(C2)C3=NC=NC(=C3)Cl,LTTMSTMMQJCBJJ-UHFFFAOYSA-N
-794E22E144BE0ED3_0ABF7A1F561BD152_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCCCC4,PAUJBSOGTMHEHW-UHFFFAOYSA-N
-79F66780BAB8DCFE_31CF0015FC109948_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C(=C(C(=C3)F)F)F)[S](=O)(=O)Cl,QKBZRSNADHNYGD-UHFFFAOYSA-N
-7CD7841151846C75_F4651E8F7C351970_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,OSCCTZSVNCYXDJ-UHFFFAOYSA-N
-7DBC44B30CAD0A51_17E2770533C6CBF6_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,WQEBTSDYVQPMCE-UHFFFAOYSA-N
-7E3D1BEC0499BE95_E024C56F9301F46B_6038_UN,CN(C)CC(C#N)C(OC(=O)C1CN(C(=O)C1)C2=CC(=CC(=C2)F)F)C3=CC=CC=C3,SYOMPGYMBHANOJ-UHFFFAOYSA-N
-7E67635CD311A858_E9FF41F97168527A_6026_UN,CC1=CC=C(O1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,ZVAQJBWDCDHLRC-UHFFFAOYSA-N
-7F664FC96B8561D5_E3DC283FF49931A6_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3CC3)NCC4([S](N(C)C)(=O)=O)CC4,BQHGKKVQHXIMIU-UHFFFAOYSA-N
-7F9B4EC0C46AEF1A_F9AE965249A99DFF_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C(C3=C(N=C2)C=CC=C3)N4CCCC4,SWPDEBPIVHBUEP-UHFFFAOYSA-N
-7FC925204C760939_E9C3A20421D41E8D_6038_UN,COCCOC1=C(C=CC=N1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,AYMWVAFAMJATBP-UHFFFAOYSA-N
-80D86158373CD558_5095C719E6D067F9_6029_UN,N(CC1CC=CC1)[S](C2=CC(=CC(=C2)C(F)(F)F)C)(=O)=O,MXFYOCPZDCHKGP-UHFFFAOYSA-N
-80FFBDF4ED8945F7_3AD4DDA3FCCE22E1_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(C)C=C(C=C3)C#N,LCSWMCJCCGQJMI-UHFFFAOYSA-N
-813C641EF1BEF45E_22AC4C4F153868D6_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,VPPHNEZCJOIXIQ-UHFFFAOYSA-N
-81A433E2B3704195_3C2180F6AD231B26_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,HSRUMVZTLDVNDL-UHFFFAOYSA-N
-81AADB2B91F29049_698229C6E7B1219B_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,BJNMBRSVSOMKEO-UHFFFAOYSA-N
-81F6E30AD8D30322_828EC1A0F08F75CD_6038_UN,O(CCN1C(=O)CCC1=O)C(C2=CC=C(CN(C)C)[NH]2)=O,YVFDYGJSFJLRBX-UHFFFAOYSA-N
-824938B9A4229ADF_8FEE4E28D07BD8F7_6031_UN,CSC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OCC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,CHWQWVCIXDFLCP-UHFFFAOYSA-N
-82FFE3300BED4C8F_98D2DEAB2A8D4F44_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=C(C=CC(=C4)C)O[Si](C)(C)C(C)(C)C,PKPGOWZWLQRCHY-UHFFFAOYSA-N
-85BA1AC9C00FBAC7_C2DE6BD1AC7581DF_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NCC3([S](N(C)C)(=O)=O)CC3,OBJZQSFELWYXRH-UHFFFAOYSA-N
-888B2CBDC9C7BA96_AC39F95CD5255DB2_6038_UN,CC(COC(C=C([P](CC)(=O)O)C)=O)CC1=CC=N[N]1C,QSDDUISCLZGLEC-UHFFFAOYSA-N
-8957AD27E7E8B9A0_A47DDA371125F023_6029_UN,N(CCC1=CC(=NC=C1)O)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O,QJXMBIJKPCLDEI-UHFFFAOYSA-N
-8A3865843FC3248C_E11C13A8B1917EAB_6038_UN,CCOC1=CC(=CN=C1)CCCOC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,FYNWIIYSFQRTTF-UHFFFAOYSA-N
-8B0F7079B6FD539A_C2A9BCAF62191BC9_6026_UN,FC2=C1C=CC=CC1=CC=C2[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,FACLLILPWSXLGW-UHFFFAOYSA-N
-8B75C5914C6CC02D_379C8821A2459DC0_6038_UN,O(C1=CC(=CC=C1)F)C(C3=CN=C(N2CCN(C)CC2)S3)=O,NJVYUOOWEOLJPT-UHFFFAOYSA-N
-8C0A2171C525DFE7_5015FD926D88AA3F_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,SMVXTFZPNONEOF-UHFFFAOYSA-N
-8C292FB5473A79FE_64226CDDF2DB3F12_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)OC4CCC4,MYBTUDKGABESQB-UHFFFAOYSA-N
-8E1439DA2C4A92CA_07A558DB99B60D4B_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC3([S](C)(=O)=O)CC3)F,LQZUBXSQVACDNZ-UHFFFAOYSA-N
-8F0E612A0DE9A45E_D5C1B64ABF8690AC_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCC4,MFBABWLVTPBGAN-UHFFFAOYSA-N
-8F40F4D20BAF9CA6_66D53AB963029916_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C)C,DUHZXEFHJHFMPD-UHFFFAOYSA-N
-900DABC4D116F6BE_EC8AA903307498F8_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4,NFSKRQIUAVTGJU-UHFFFAOYSA-N
-90796468D705D931_82A672C29694DC0E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=C(C=C3)N4CCOCC4)F,BSURYELDWHHOKO-UHFFFAOYSA-N
-90CDCB36870EB042_A37052EDCD8B168B_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N4CCN(CC3=CC=C(C2=CC=CC(=C2)Br)S3)CC4)C#N,SPLAPZLSLFIEHP-UHFFFAOYSA-N
-917DA9B60112A40C_5106BD72C10A8691_6026_UN,CC1=C(C(=CC=C1)C#N)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4,IHFHMEGDKQVXGD-UHFFFAOYSA-N
-93522F36CEBF2C9D_17EA3F4AF2E8A9A1_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)N4C(CCCC4)=O)OC,YXTNVJUXLZYAJI-UHFFFAOYSA-N
-95535E30E7AF9BF3_5D167C3A035ECAB8_6039_UN,CC3(COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)CC3(F)Cl,FTBVZGNTQAMZEO-UHFFFAOYSA-N
-95827322880B7EF7_B2792B567ADF9763_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,BUPIPCRBMQMLKB-UHFFFAOYSA-N
-95AC9FEF43D25024_8031A32804712C85_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)C(=CS2)Br)N(C)C3CCN(CC3)C4=NC=CC=N4,ABGXXQNHPKRNFF-UHFFFAOYSA-N
-960EDCEC384A8C1A_0B84127726C66235_7013_UN,N2=C(C1=CC=C(O[S](F)(=O)=O)C=C1)[N](C3=C2C=CC=C3)CCN4CCOCC4,KOHJSJDKSHATBT-UHFFFAOYSA-N
-96FD820EAC4BD51F_D772240DED8586C2_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,KLWICDQIQQEWET-UHFFFAOYSA-N
-9715FE0E16F518A1_E86B899E2D01EF11_6038_DP,CN(C)CC(OC(C2=C1NCC[N]1N=C2)=O)C3=CC(=C(C(=C3)F)F)F,MWVIOHAMSSBQOQ-UHFFFAOYSA-N
-9855B0E8D1EBE463_72C2E5C12004CE9A_6029_UN,C(OC1=CC=CC=C1)C2CCCN2[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,IXHLRAWADAKJIE-UHFFFAOYSA-N
-9987CC46F3660985_BA5674B6716A4392_6039_UN,CC1=NC3=C(C(=C1)N2CCC(OCCCCC[S](Cl)(=O)=O)CC2)C=CC=C3,AHIKEUIJKZFNOA-UHFFFAOYSA-N
-99975BF9F7BA89AD_E26CBBB9F53CA849_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NCC3([S](C)=O)CC3,WOODKGYEPLCRSJ-UHFFFAOYSA-N
-9C1D2448B3AB1E62_806EFF07CC34E359_6038_UN,CN(C)CC(C#N)C(OC(=O)C1CN(C(=O)C1)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3,MCOUVPMKEFBWMI-UHFFFAOYSA-N
-9D077467BF15E1DB_0CA2F4E97332C4BA_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C(C)COC4=C3C=CC=C4,MOHKFUKONLMYLQ-UHFFFAOYSA-N
-9D095B05305C9A3C_84753BDE9725ADDD_6039_UN,OC(=O)C1=C(C2=C(N=C1)C(=C(F)C=C2)F)OCCC(N4CCN(C3=CC=C(OC)C=C3)CC4)=O,ZMDJSNKDJZTZOX-UHFFFAOYSA-N
-9DA7EC7FEB73B992_75965F57CEE26910_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,WIMBYLJPTWHUTK-UHFFFAOYSA-N
-9E2926328EEAEFAE_959CE512D99C4444_6041_UN,C1(=C(C=CC=C1)OC2=NC=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,GACNKNVMZLBZRP-UHFFFAOYSA-N
-9EB565CF0F223D77_9342EC31C7304AF9_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C)C=C2Br)CC=C,CFPABZHHBPBIJB-UHFFFAOYSA-N
-9EF2247EBE259D70_F4FBD1B05C392637_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3([S](N(C)C)(=O)=O)CC3,OFWHBIWJDRGRFI-UHFFFAOYSA-N
-A080C5A46F0AE959_5845FD5BBE76CA1C_6039_DP,CC[C@@H](COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)N,SXRCNUKJMLNDDV-LBPRGKRZSA-N
-A0BD565DDDD68490_C63942B80D638BFB_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C([N]3N=NN=C3C)C4=CC=CC=C4)=O,PZDWJEWMHPZRRB-UHFFFAOYSA-N
-A1DF1AE598959810_60FE2DF95C0C6D89_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O,OXEQFHBFSGNSQY-UHFFFAOYSA-N
-A2AD1E00D5622661_D9420A106EE9D63A_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3([S](N(C)C)(=O)=O)CC3,KMPQUJYBDVTINI-UHFFFAOYSA-N
-A59A35D5E8C04102_CD7562502AD0303B_6041_UN,CN(C)C1=NC2=C(C(=N1)NCC(N(C)C)=O)C=CC=C2,CRQCXZDSZBCGDE-UHFFFAOYSA-N
-A6D6C30E8E755FFB_80FCFDF505D6FEB7_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3([S](N(C)C)(=O)=O)CC3)F,BURXOAPORKQWJQ-UHFFFAOYSA-N
-A7013C265C9CE66A_507F356A8F4D555A_7015_UN,C(CC1=CC=CC=C1)C2CCN(CC2)[S](=O)(=O)C3=CC=C(C=C3)C=C,IVTJXORFBBWHMO-UHFFFAOYSA-N
-A86A795553F830E5_43567A3AF11C207C_6029_UN,C1C(CN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)OC3=CC=CC=C3,RGTQSFVXBJXVGL-UHFFFAOYSA-N
-A935209FAE8B81BE_2E92F4A7D2C22F83_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,UFQSEANNWDLEBU-UHFFFAOYSA-N
-A97F3FF53E13D461_26362B13F252DDBC_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CN=C(C=C3)N4CCCCCC4,IOWFAQCIUMJNDS-UHFFFAOYSA-N
-A9A04EE209159323_4C1A417231E60916_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)COC4,XKOIUPWTUQCEBS-UHFFFAOYSA-N
-ABCB4C6EFF49B386_7212DB18BD128CC1_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)OC(F)(F)F)[S](C3=C(C=C(F)C=C3)C=C)(=O)=O,MDKLKDXMRPNSGG-LSDHHAIUSA-N
-ABD69C9608EAEEC7_20BBCD7BD0F515CE_6043_UN,C[N]1C=CN=C1C2=CC=C(C=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,JEIZKOFKHVTDIW-UHFFFAOYSA-N
-ABF46AF92D45E1E1_B73BF2AD31D46108_6026_UN,CC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,VVTDDVAOOQUEAC-UHFFFAOYSA-N
-ACCDDB8799E993C2_42D2D4135D78B615_6027_UN,CC1(CCN(CC1)[S](=O)(=O)C2=CC3=C(C=C2)OCCC3)C5=NC4=C(C=CC=C4)S5,PVZBHMPIACXFGO-UHFFFAOYSA-N
-ACD860DA6B95BD12_9D60FA1F691D1D43_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,OIVHPORNJXMASA-UHFFFAOYSA-N
-AE2CB586B43D566C_DE5371B123463E4B_6029_UN,CC2CCC(CN[S](C1=CC=C(C(C)(F)F)C=C1)(=O)=O)CC2,YOTQNCLMPJUBNB-UHFFFAOYSA-N
-AE53FDF6EEA3C73E_CD159F205902E8A4_6038_UN,COCCOC1=C(C=CC=N1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,BDDBDPBMSHXUDL-UHFFFAOYSA-N
-B0599A2222A2DA04_1D5958BF7CDF19EF_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2)Cl)[S](=O)(=O)F,OXSIIYFQLNFFQD-UHFFFAOYSA-N
-B138383B47B358DC_68C6D1FCD07B2EEA_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4,LNIMREXDWVLKMU-UHFFFAOYSA-N
-B25853D4F2566203_D189E1A542BBC466_6031_UN,O(C(=O)CC1=C[NH]C2=C1C=C(N=C2)Cl)CC[Si](C)(C)C,WSHKKIOHWHWOHI-UHFFFAOYSA-N
-B291DEBEDB3D652C_56FDF42126D0E5ED_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3CC(C(C)(C)C)(C)C3)=O,KOSJEEJBGHJFJY-UHFFFAOYSA-N
-B56344272D6BFBF9_23CB9BFC209B60DC_6041_UN,CN(C)[S](=O)(=O)C1=CC(=NC=C1)NC2C4=C(OC3(C2)CCC3)C=CC=C4,XBQMASWNUJAZJE-UHFFFAOYSA-N
-B7F0463016EC129E_3DE95C74BF2EED17_6029_UN,OC1(CCN(CC1)[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=CC=CC=C3,QPTGBKCRCGIHHV-UHFFFAOYSA-N
-B8093FEFFF99F81D_B036A980A104D122_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(CC)[N]2C=NC=N2)=O,HFBQJYYFQQGQAR-UHFFFAOYSA-N
-BA30358D2E4A942C_BB2D84B38E05B79A_6036_UN,C(C1=CC(=CC=C1)[N]2C=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,DQLKZUNBYCASBS-UHFFFAOYSA-N
-BA3AEC21F91C9CAE_D1DFB467293515D6_6029_UN,C=C1CN(C1)[S](C2=CC=CC(=C2)OCCN(C)C)(=O)=O,OUTNDXVBBXEKAE-UHFFFAOYSA-N
-BA601E0F8DE98C44_29DC3D6A64F44068_6031_UN,CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OCC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,QLUDHWGIJLPWJU-UHFFFAOYSA-N
-BAD13E9078BB7EF1_8E8D7EDE7D9FAA51_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCCCN2C3=NC=CC=N3,BJWAGQKQFZHGSS-UHFFFAOYSA-N
-BAFBB193F8E73F68_DC93EF4FF9DBF9E4_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=C(C=C2)Br)N(C)C3CCN(CC3)C4=NC=CC=N4,IVLHIGJDOYQPMU-UHFFFAOYSA-N
-BB2E3DF8C439F18A_23D3E97C38D6D731_6026_UN,CC1=C(SC2=C1C=C(C=C2)C#N)[S](=O)(=O)N4CCCN(C3=NC=C(F)C=C3)CC4,WCOMAWKIGOIWCJ-UHFFFAOYSA-N
-BD23C2341140F3F4_8FF546F593806328_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(C=C(F)C=C3F)Cl)(=O)=O,VEBWLEHTPRIMBW-MJHDQNEOSA-N
-BDA08F7751908BF2_CC360887AB11D960_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C(C)COC4=C3C=CC=C4,BZVWOPHJPRNPDS-UHFFFAOYSA-N
-BE552E11641893C7_7F095C06EFF862FC_6029_UN,N([C@H](C1CC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(SC)C=CC=C3)(=O)=O,PLKYUZXZALFIBA-QGZVFWFLSA-N
-BE9536489630C7E7_47F3B97D615E4CDD_6038_UN,CN(C)CC[C@H](OC(C1=C(C)[N](N=N1)C)=O)C2=CC=CS2,NVEWVKCTDHIFPQ-NSHDSACASA-N
-BEDF146ECC6E7988_0BD0F6F06E092867_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,BRWCWLAMSCASHM-UHFFFAOYSA-N
-C1DDD67B64E2EEDC_A16DAC2D5B754E1C_6038_UN,CC(NC(C1(N(C)C)CCC1)=O)C2=CC=C(C=C2)C3=N[NH]N=N3,QZSBGJUSOAROSF-UHFFFAOYSA-N
-C39C30A1A7703BDF_BBAEB7FDEFC90618_6038_UN,O(C2=C1N=CC(=CC1=NC=C2)F)C(C3=C(C=CC(=C3)[S](N(C)C)(=O)=O)N4CCCC4)=O,KBYYVIKTSZIYPG-UHFFFAOYSA-N
-C41FDA6008F61EE1_5D2D7A9F1FAB8FFC_6029_UN,C1C=C(CN1[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ULZVFMXEDNHGFP-UHFFFAOYSA-N
-C4671AD21972C515_DDB663DC0F7F1588_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,NZSPPPMZJFLLEV-UHFFFAOYSA-N
-C470F3F4B1002301_F8AFD2D063AFF8B1_6035_UN,CC(C)OC1=C(C=C(C=C1)COC2=C(N)C=C(C=C2)[S](=O)(=O)O)Cl,NOPJGWPIFLEUJG-UHFFFAOYSA-N
-C636D02C4E02B837_4DDAF361E366C726_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=NC=C3OC4CC4)C,XXCDXVFYGLGHBI-UHFFFAOYSA-N
-C86B87254734A7A2_B8FECF53A4C86AB7_6038_UN,CC(N(C)C)C1=CC(=CC=C1)OC(=O)C[N]2N=NN=C2C3CC3,GXRXKBUWTLTKCD-UHFFFAOYSA-N
-C87985944EF40432_C2374D5F6895D6AA_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(OC)=O)[S](=O)(=O)Cl)(=O)=O)C4=C3C=CSC3=NC=N4,RQTWJEDAJWSIOK-UHFFFAOYSA-N
-C9079B2A8B025E39_0FC83E1D05F68099_6038_UN,CC1=CC(=C(C=C1)OC(C2=CC=C([S](C)(=O)=O)O2)=O)[S](=O)(=O)Cl,JWTYECBDNXMQQR-UHFFFAOYSA-N
-CA233D49C5C2B98C_404902251A026C30_6036_UN,CC1=NN=C(C=C1)C2=CC=C(C=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,YSLFANCDKVZVDU-UHFFFAOYSA-N
-CA2839BD6179F865_DA4F689AC20A37A7_6036_UN,C[N]1C=C(C=N1)C2=CC=C(C=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,PPGHOEMIVZMJCO-UHFFFAOYSA-N
-CAA6C96EF69D0B16_27B8222E7CFD8150_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3(C[S](C)(=O)=O)CCC3,IWJGWNNANUFRHD-UHFFFAOYSA-N
-CBEDEDA17C50ACDD_81855ED46DD94B75_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C3=C(C=C(F)C=C3)F)C4,WSQILDWXIYGQFE-UHFFFAOYSA-N
-CE183911C0B14256_82A657276F8D1BC9_6038_UN,S(C1=CC=C(C=C1)C#N)C(C3C(C2=N[NH]C(=N2)C)C3)=O,AEZPCWGZLZBUNE-UHFFFAOYSA-N
-CE94A486C520A46B_F5689934B1361E80_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=CN=CC(=C3)C(N(C)C)=O)=O,GDLKTGSKSBOWDY-UHFFFAOYSA-N
-CEF1A64B497FECF5_E9D19192FA01632F_7022_UN,CC#CC1=CC(=CC=C1)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,OKPJMXSTFGPQPY-UHFFFAOYSA-N
-D0DBF37D6ADC5EBA_513DE69D08CB4003_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,PJGRKADMPUPDGJ-QGZVFWFLSA-N
-D253948BDA5182BD_7FA87FAF366D34C2_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,UEGADCNVLAFADF-UHFFFAOYSA-N
-D297ECE328A5EA38_E5A64B85F59E85C1_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,LHMKXUUREKQWLC-IYARVYRRSA-N
-D569759F72E0EBF2_B07E21AD85B6E84E_7019_UN,FC(F)(F)C1=CC2=C(C=C1)SC(=N2)C=CCC(C)(C)CC=C,VHRFJHWYIKBFEN-UHFFFAOYSA-N
-D65141F950DC8BDA_09279A89FDA9B81A_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N4CCN(CC3=CC=C(C2=CC=CC(=C2)F)S3)CC4)C#N,LGTFTLAGWADPPL-UHFFFAOYSA-N
-D76F9F4FD019CE7C_CA2E4ECE913D6350_7015_UN,C(C1CCN(CC1)[S](=O)(=O)C2=CC=C(C=C2)C=C)C3=CC=CC=C3,FRZCXJYFQYUTQR-UHFFFAOYSA-N
-D8671F587261532D_5866544C33A3F46D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC(C)(C)CC3=CC=C(C=C3)C#N,PPYOJSWLCLWYRL-UHFFFAOYSA-N
-D95F33FB97B3FD74_7D908999954B3BCB_6038_UN,S(C1=C(N=CC=C1)C#N)C(C3C(C2=N[NH]C(=N2)C)C3)=O,XJESIWHUZVTBER-UHFFFAOYSA-N
-D9FB7C614E150C76_4A9B59A18737D427_6041_UN,C1(=C(C=CC=C1)OC2=NN=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,LUVMZUFMEFBQJB-UHFFFAOYSA-N
-DAD506EF6A3D8441_B168EF7F23196D1F_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C=C(C)C=C3)C)CCCC4,VVDKDRUVIHJENK-UHFFFAOYSA-N
-DB71387297CCA8BF_3454166D443CF732_6026_UN,ClC2=C1C=CC=C(C1=NC=C2[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4)Br,VWYGKLXYYAYLDG-UHFFFAOYSA-N
-DBBD5460B2094EFE_6D345D0658AAB9E5_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,QEWDWGPOENHIRA-UHFFFAOYSA-N
-E02F1CEC421248A8_8051B8B1A1A718A8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(C(C)N3CCOCC3)C=C4,KLNRMPPWNPAQMT-UHFFFAOYSA-N
-E080A764F85CC2B5_6EB2BCE6D4B7B002_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC4C3=CC=CC(=C3OCC4)CC,GMCCLYACSYMSRX-UHFFFAOYSA-N
-E192513CEED22676_2DC5985F1FB8404E_6029_UN,OC(COC1=CC=CC=C1)CN2CCN(CC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,HKUAWFMCYVJVMR-UHFFFAOYSA-N
-E2D3672F693ED5EF_39B71294EA3A8A88_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC(=C2)Br)N(C)C3CCN(CC3)C4=NC=CC=N4,SBVPZQKYDSGBIV-UHFFFAOYSA-N
-E4B97FC180C9E9B4_40D448AFD2D883F1_6026_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,JIOFABIAFIEKQT-UHFFFAOYSA-N
-E4FE7DA7F480596D_A9600C0E70A07A18_6039_UN,O(CC1CC1(Cl)Cl)CC(C)=C(C#N)C3=NC2=C(C=CC=C2)S3,VPQHZBMVAFSFGS-UHFFFAOYSA-N
-E54944B92ED6E3D2_854C8DE61BA52518_6038_UN,COC1=C(C=C(C=C1)NC(C2(C(N(C)C)=O)CC2)=O)[N]3C=NN=N3,ZVVZYUSYEJZXMD-UHFFFAOYSA-N
-E56D0B9B07B19D7B_3A51FD67D1713208_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NCC3=CN=C(N2CCN(C)CC2)C=C3,XCNFZXSRVPVOOY-UHFFFAOYSA-N
-E6A6F1E100C11F9F_0AE775E1890AB17E_6038_UN,CC1=C(C=C(C=C1)NC(C2(N(C)C)CC2)=O)[N]3C=NN=N3,HHIBSOXGYCOQNP-UHFFFAOYSA-N
-E983545DCAA740E0_74FF272627C1CD6F_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)N4CCCCC4,PUYXOROCDNPLHN-UHFFFAOYSA-N
-EAEF5AC51C77A1E6_11AED1FF8EAB64AA_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,HWUQWYPTAVYAAL-UHFFFAOYSA-N
-EB29A834EB9E1CE6_65247D8C6E426942_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCCC4)F,VHICOFWUXPVTAJ-UHFFFAOYSA-N
-EB53C7F7456AF9AA_50F9F651B05F0E4C_6038_UN,S(C1=C(C=CC=C1)C#N)C(C3C(C2=N[NH]C(=N2)C)C3)=O,PHKBNXDUKAUPBW-UHFFFAOYSA-N
-EB961E224D8A74B0_0BB1CE0EF4A03B66_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CN([S](C)(=O)=O)CCC4,PIALFQAKPGFLCE-UHFFFAOYSA-N
-ED5DC4D889917CBF_8236893963B33FA6_6029_UN,N(C1CC(C1)C=C)[S](C3=CC=C(C2=CC=C([S](Cl)(=O)=O)C=C2)C=C3)(=O)=O,LSKRBAFPBYKNKI-UHFFFAOYSA-N
-ED9E2319818EF8D2_0A3ED729D2276ABD_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=C(C=CC=C2)SC3=CC=CC=C3,KSPBFIRJHBMOPV-UHFFFAOYSA-N
-EE15F9257CF9C6BE_2F375680931DE20B_6038_UN,O(C1=CC=[N](C=C1)=O)C(CN(C)CC2=NN=C(C)[N]2C)=O,OQLLGBGSBBCALY-UHFFFAOYSA-N
-EF993BFBF5576BAE_A1B7027FAA959D34_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,XYROVNSKYCNKEZ-UHFFFAOYSA-N
-F02C05F8EF8ABE8C_338B11930BF89283_6041_UN,C1(=CC=C(C=C1)OC2=NC(=CC=C2)C#N)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,VIYIADJJAAMDCB-UHFFFAOYSA-N
-F0B72B00B4C5F014_58D0D0AAB73A5444_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCC3,WGEDZGFCZKIVGJ-UHFFFAOYSA-N
-F1B51E824B2625E2_DFC23BEFE484E692_6026_UN,CC1=C(SC2=C1C=C(C=C2)C#N)[S](=O)(=O)N4CCN(C3=NC=C(Cl)C=C3)CC4,KBKOMKHOJLCNOD-UHFFFAOYSA-N
-F290662CE3191647_E970D320990CF7D2_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3C)CC4,PFDHSNTYNDZWQR-UHFFFAOYSA-N
-F2E21980717D4538_B49D691E975987FB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4(C3=CC=CC(=C3C)C)CC4,VXGOFVQMBIXCBG-UHFFFAOYSA-N
-F39ECE7E3B1D64FA_1222864FDEC2D3DC_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3CN([S](C)(=O)=O)C3,NYJCNPYNBMMSDE-UHFFFAOYSA-N
-F7B831F1FD843C5E_D07D624DBA05214D_6029_UN,O=[S]1(=O)C=CN(C=C1)[S](C3=C(C=C(C2(O)CC2)C=C3)C(F)(F)F)(=O)=O,HRRJMVJTJSJLMC-UHFFFAOYSA-N
-F816E15D2080AE52_D5FD6F2592CEC167_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(C3=CN=C(N2CCN(C)CC2)S3)=O,AFEIDUANXRWINW-UHFFFAOYSA-N
-FB1C849C8D0DE67B_C887B1F13AFC87F1_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Br)Br)[S](=O)(=O)Cl,JMMDXTLZQRCAEK-UHFFFAOYSA-N
-FC72DCB9612E5AD4_2AD4D9F78223C9D5_6034_UN,NC1CCCC(C1)C3=NC2=C(C=CC=C2)N3CC[S](=O)(=O)F,MWTRWJJIUDSGGG-UHFFFAOYSA-N
-FCA95487FFA972FC_23BF9256C4C024E5_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4)C#N,UJROOMGKFYLVAO-UHFFFAOYSA-N
-FD41C01606246138_8D6E056092BF34D2_6038_UN,O(C1=CC=C(C=C1)N2CCOC2=O)C(C3=C(OC)C(=C(S3)Br)Br)=O,MGUMDLSKTBVFOH-UHFFFAOYSA-N
-FE1DA36FCA196676_345619E6B22AD299_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CCOCC3,OYXUEGYCBMCHOO-UHFFFAOYSA-N
-FF51E99BEEDF63B0_F6E04BA374820C8F_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2F)F)[S](=O)(=O)Cl,SBCKAVISSYXAJS-UHFFFAOYSA-N
-rxn:1:58354:33103,Cc1cccc(N2CCN(CCn3cc(CN4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)nn3)CC2)c1,GNZNZNLGMLASLZ-UHFFFAOYSA-N
-rxn:2:115446:137213,CCOC1CN(c2ccc(NC(CC)c3ccc(N4CCN(C)CC4)cc3)cn2)CC1OC,JFRVHPGXUSLYOP-UHFFFAOYSA-N
-rxn:2:67832:103107,CCC(Nc1cc(N2CCCC2)ccc1S(C)(=O)=O)c1cnc(N2CCN(C)CC2)c(C)c1,FCFUGVWBIVXQRX-UHFFFAOYSA-N
-rxn:2:72108:166005,CC(C)(CNC1CCN(c2cccc(S(C)(=O)=O)c2)CC1)c1ccc(N2CCCC2)cc1,PNOZXAJSAHNBHI-UHFFFAOYSA-N
-rxn:2:88593:160422,CS(=O)(=O)c1ccc(N2CCC(NCC#Cc3cccc(N4CCCCC4)c3)CC2)cc1,UKXRYXNRUDBWDV-UHFFFAOYSA-N
-0017705609BA1B7A_8795D00E9D3E8F06_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,OQQKCLCZQSPWTF-UHFFFAOYSA-N
-0337B7D83B1AD5DE_366435964C16256F_6028_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ZIAQAYJXYNOXRK-UHFFFAOYSA-N
-03C4F9566F0C5574_D55B0B337AE795FE_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4=C(C3(C)CC3)C=CC=C4,NEDWULUGFGEHTI-UHFFFAOYSA-N
-08A8B5BD0BB74D44_36217808C184151C_6041_UN,COCCCC(C#N)C1=CC=C(C=C1)NC(C2=NOC(=N2)C)(C)C,AHRNENYQKXFRNC-UHFFFAOYSA-N
-08B7FA4F79717D03_CC5CC224CB1B4DE2_6038_UN,N(C1=CC(=CC=C1)C2=CC=CS2)C(C3=N[NH]C(=C3)CC)=O,VNBDTWCKVJQBSF-UHFFFAOYSA-N
-094138316997E3A6_3DCEBC0E79E45949_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C3=CC=C(OC)C=C3)C4CCC4,SIEZRXHCWOFIBM-UHFFFAOYSA-N
-0B0FAE95E81A03C5_22E07463A3B56D7E_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NCCC(C)(C)C#N,IWKVXMQYNHJNAO-UHFFFAOYSA-N
-0B12B0BBCC7DE06C_734BDD99C5367EDC_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,RUQVZZWBSBHNHW-ZDUSSCGKSA-N
-0B91721CE307FB56_BA3C1D4670DC37B6_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3,SWJIZQNDQPAVPF-OAQYLSRUSA-N
-0BAF32D7A5950440_C262A13366422CFF_6038_UN,CC(C)C(NC(C1=CC=CC2=C1OC(=N2)N(C)C)=O)C3=N[NH]N=N3,GPQUIGSLMITFMD-UHFFFAOYSA-N
-0C8CDF64E55E6D1F_DD87034113B9D274_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC(CC(C)(C)C)N,WIBPTGVRLNGKTB-UHFFFAOYSA-N
-0D206A1D1CF201BE_51C408FF6939AB74_6038_UN,COC(=O)[C@@H](NC(C=C([P](CC)(=O)O)C)=O)CC1=C[N](C)C=N1,PYOBCHATSMLYKI-LBPRGKRZSA-N
-0E1D953262C3F3A6_ACF21972B1E45031_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC=C(CC)C=C3)(=O)=O,MIHFVZAUMLKFEA-UHFFFAOYSA-N
-105D205199ABFD7D_F6624454DE38F2AA_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,NWVRERNAQLGQMU-UHFFFAOYSA-N
-10C736BD64D30519_8CBF4B2DA66A9D81_6041_DP,COC(=O)CC1=CC(=CC=C1)NC2=CC=C(CO)C=C2,CUJAKVAIOFYMTB-UHFFFAOYSA-N
-11EA77912B5CCBF4_8ADF2B7FF0A67C46_6038_UN,N(C1=CC=C(C=C1)CCF)C(CCCC(N(C)C)=O)=O,DXWISOGTPDNNCJ-UHFFFAOYSA-N
-12ED5501EABE96DE_4BB35962F0342852_6027_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PAVFJUFWFABJKB-UHFFFAOYSA-N
-12ED5501EABE96DE_4BB35962F0342852_7015_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PAVFJUFWFABJKB-UHFFFAOYSA-N
-13AA8A608EDDA2A2_0AB35D9C39A72D57_6029_UN,OC1(CCN(CC1)[S](C2=CC(=C(C=C2)C#C)C)(=O)=O)C3=CC=CC=C3,JZYOQBFCPIEGET-UHFFFAOYSA-N
-146A27AD333D957E_0CAAD2A2FD92E0B1_6029_UN,CC1OC4=C(CN(C1)[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C=CC=C4,OXGZFOFKWAWRFF-UHFFFAOYSA-N
-1640A26ADC78D7E1_F08FCB95D49ADC1E_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=NC=C[N]3C)CC4)Cl,BFNVLIJOBYEYSI-UHFFFAOYSA-N
-1790D053849E70CA_32D72BD2F1F83AFD_6041_UN,C1(=C(N=N[NH]1)C#N)NC(C)CC2=C(C=C(C=C2)N(C)C)C,HIFULAAERDSGLJ-UHFFFAOYSA-N
-19962AAD03373E3E_F8B1BD5C6813E792_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=CC(=C(C=C2)C)C(N(C)C)=O)[N]3C,MTRQYHUPQCMMER-UHFFFAOYSA-N
-19A5A6453EF75B3A_A2F083296DCCEBCB_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)C(F)F)(=O)=O,KWXKTMKUGQUDQN-UHFFFAOYSA-N
-1A783B6B00C2C7F8_B2E407CF00FEFD65_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,HCFUZVYNWFQSEU-UHFFFAOYSA-N
-1B1DAEFD9D6B26F1_8B632FB0384F62FC_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(OC)C=C3)C[N]4N=C(C)C=C4C)=O,UNZGXSQUCAOBRT-UHFFFAOYSA-N
-1C27AE875E455B26_65C9EF9280AE66AF_6029_UN,CN2CCC(CN[S](C1=CC=C(C=CCBr)C=C1)(=O)=O)CC2,FYXJMDZCTRMUIO-UHFFFAOYSA-N
-1D42868B5FD688BB_B03F862696C77103_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=C(C)C=NC3=C2C=CC=C3,UIANZXRNQHSKTQ-KRWDZBQOSA-N
-1D9C42144B8AFDC4_FE5E54DC74C05DC0_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C=C(CN(C)C)C=C2)C)C,IFSRRMVEJNYXTC-UHFFFAOYSA-N
-1DEFD25BD207173E_7FD4C266818F0B54_6041_UN,CC1(CC1)C2=N[NH]C=C2NC3=C(C(N(C)C)=O)C=CC=C3,FYBJYXSDZOECQG-UHFFFAOYSA-N
-1ED83E160A0EAC61_B3D423C5CC2F3985_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=N2)C(F)F)(=O)=O)C3=CC=CC=C3,WJWBAQYGEWNUHA-UHFFFAOYSA-N
-224F8E04ADD7EF48_9BC0035A1EB4FF5F_6038_UN,CC(C)C(NC(C1=C(C=C(OC)C=C1)OCCOC(C)C)=O)C2=N[NH]N=N2,UJLWDRTXDCLSGA-UHFFFAOYSA-N
-2293306BD04B634D_E75559F96E260AD8_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=CC(=C(C(C)(C)O)C=C4)Cl)(=O)=O,VBYPFQPWJHZHGY-UHFFFAOYSA-N
-23720000AA59B3F4_2E5C6A5CAB011653_6041_UN,COC(=O)C1=N[NH]C(=C1NCC2=C(N(C)C)C=C(C=C2)C)C,RBOBBZZZPMAFLP-UHFFFAOYSA-N
-24C24503A2C2064E_20245B5495339967_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Br,XUOYXYPLBUUSFB-UHFFFAOYSA-N
-266863920359E3FC_5F58CA21F4608CBA_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,HOGSFWGUPDAEFY-UHFFFAOYSA-N
-26ECE85F1407A8CE_DA6E4F7EF54E2C76_6029_UN,OCC1(CN(C1)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,AVLPXUOEMUQNHD-UHFFFAOYSA-N
-292F54857116EFA8_C5982B6CB17C0EBF_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=CC(=C(F)C=C3)C=C)(=O)=O,DLZOVXPILMKHJF-MQMHXKEQSA-N
-29DD2B3DD689A0F1_83B84536C5A27643_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)Br)CC3)C#N,ULDBMQWDNXUUNO-UHFFFAOYSA-N
-2B4D085CFFE23B15_A1BEAE4393F33EE4_6029_UN,N(C2(CC1=C(C=CC=C1)F)CCCCC2)[S](C3=CC=C(SC)C=C3)(=O)=O,KFYLOUPOLQJHSA-UHFFFAOYSA-N
-2D0C0F830D39E49D_1A81F8CCA0FF1AB6_6027_UN,N(CC(C1CC1)C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,FHKAXNFNAGALNP-UHFFFAOYSA-N
-2D2FDB872F3F3463_5C09B6A62D20ED3B_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=CC(=C(CN(C)C)C=C2)C)[N]3C,PNINOWPPFVZLHU-UHFFFAOYSA-N
-2D797977D2634E64_0A1434BCD456F69A_7013_UN,N1=C(CCCC(N(C)C)=O)[N](C2=C1C=C(C=C2)Br)C3CC3,NMKLFJPHVBLKKO-UHFFFAOYSA-N
-2FDEC1F33EFC0617_A7BE238E166E441B_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=C(C)C=C3)CC4)Cl,ZSJSNGMOAKJNJW-UHFFFAOYSA-N
-31949619009D3EB8_40B8A33F10679210_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,ASROWZATXALNIQ-UHFFFAOYSA-N
-341BFC1251D3B8DD_F3E2A4B94F58DA12_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,GMPYLCFSBPYUAS-UHFFFAOYSA-N
-350B06C5224C642E_DD35AEB8836AC21B_6036_UN,C1(CCN(CC1)C2=NN=C(C=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,HKMORXFMWBHXMT-UHFFFAOYSA-N
-36917DAA1A2A4E53_E5DB3088E0455DF4_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NCC(C)(C)CCC#N,JOSMSMDMYHGBDQ-UHFFFAOYSA-N
-36AAB8BBCF33714E_FA78AD57EF2FAFC1_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,ZWUBDLOIAPWPKW-HNNXBMFYSA-N
-389D86EC75D6F87F_B2A545EB76AC00B8_6035_UN,COC(OC)C(OC1=C(C(=N[NH]1)C)C#N)C2=CC(=C(C=C2)F)F,SRAULBCSTQFYMB-UHFFFAOYSA-N
-3920A1ACA00FB0E7_3DDF2FAE3767E734_6038_UN,CC(NC(C1=C(C=C(OC)C=C1)OCCOC(C)C)=O)C2=N[NH]N=N2,NCUKJTHMTLMVPW-UHFFFAOYSA-N
-392DAF27967EB544_933566D0253BB746_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NCC2=C(C=C(N(C)C)C=C2)C)[N]3C,RMOOHXPGKQVGHD-UHFFFAOYSA-N
-39FF2591C71CC62F_7C85133003F8D0C3_6041_UN,O=[N]1=CC(=NC=C1)NC(C2=CC=C(CC(C)C)C=C2)C3CC3,BEDHBDHPPCDDOI-UHFFFAOYSA-N
-3AD8639AB3F696FF_AE6AEA798412E058_6029_UN,OC1(CN(CC1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,BYWRTKRPKMOWFY-UHFFFAOYSA-N
-3AE2CDB7CD77D839_73B858AFB6C0DD9E_6005_UN,COC(=O)C1=CC(=C(C=C1)C2=CC=C(CO)C=C2)C3=CC=CC=C3,ZSMBSHZHNQFCLF-UHFFFAOYSA-N
-3B13EE85597FD335_7CCA9CDF4B2105DC_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,BUTSCVNJDQDEIY-INIZCTEOSA-N
-3DEE04991EFCA2B3_5C95C883ED46B9FB_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)C5=CC(=CC=C5)F,GVUIEOITBZZFJA-UHFFFAOYSA-N
-3E5206B6AC35A8C6_D5F1702F35B9446F_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=CC(=C(C(N(C)C)=O)C=C2)C)[N]3C,ABTHDBXZFSCPPR-UHFFFAOYSA-N
-3F0D20F6B15E5168_432333D32ECF9FAD_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)F,MTZFXFAYYYJISH-UHFFFAOYSA-N
-40F2B41965D5A23A_B3125BC720DC4551_6043_UN,C1(=CC(=CC=C1)C2CC2)N[S](C3=CC=C(SC)C=C3)(=O)=O,JHPZZGHEASPMDQ-UHFFFAOYSA-N
-4279FF6E3013B098_899AC6CF850A04CB_7013_UN,N1=C(CCCC(N(C)C)=O)[N](C2=C1C=C(C=C2)Cl)C3CC3,BYPPWOKZAZPMGQ-UHFFFAOYSA-N
-42C79FD3BAB88A97_ACEA66F2EC00D6DE_6029_UN,N(C[C@@H](O)C1=CC(=CC=C1)Cl)[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O,OPENSRDFSKFMTI-MRXNPFEDSA-N
-42E6CF57BF91239C_129EFFD5A94C9FCC_6041_UN,C[N]1C=NC(=C1C#N)NC2CC(C)(C)OC3=C2C=CC=C3,GUCZETGHOJEDHY-UHFFFAOYSA-N
-46D352157C3CE718_2D9E9D11C0403827_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=C(C(C)CO)C=CN=C3)(=O)=O,FSRQOGJXQNNVGO-RJPUVWTNSA-N
-491C1F278E33307E_A8852DBD95D92D5E_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)Cl)CC3)C#N,OXVFNULOCCAMKS-UHFFFAOYSA-N
-49DA83968E3D64D5_52D701B530D563B0_6029_UN,OC1(CN(C1)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,JCRNBSMIZZDWSH-UHFFFAOYSA-N
-49DB647438FBB381_4BB86335A99EA6A8_6041_UN,CN4CCC1=C(C(=NC=N1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C4,AMRVLMQBSAAQQB-MLGOLLRUSA-N
-4B7EFE5BCC885047_16EAA35B0D22569B_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=CC3=C(C(O)CO3)C=C4)(=O)=O,GLKCCBHPTWXQBB-UHFFFAOYSA-N
-4D70AA37DCD37686_A77C7B1A08B3A908_6029_UN,CN2CCC(CN[S](C1=CC=C(C=CCCBr)C=C1)(=O)=O)CC2,ABOMJXIMNQROLN-UHFFFAOYSA-N
-4DCFE8F02C08C3F7_AA80E410FFEC9B3F_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(F)(F)C#N)C=C3)(=O)=O,AWIMUUOKFFYPMY-UHFFFAOYSA-N
-4F73FFBC415FF6CB_979FFD1AC3B08733_6038_UN,N(C1CC=CC1)C(C=CC2=C(C=CC(=C2)OC)OC)=O,WJIHNSNYJKBREV-UHFFFAOYSA-N
-4FE1ADF5A17DE586_11427C345B22EEFD_6041_UN,CC1(CC1)C2=N[NH]C=C2NC3=C(C(N(C)C)=O)C=C(C=C3)C,OQCJFCSZYMWHQV-UHFFFAOYSA-N
-51DE30185AF16CD8_4771E86792C97F8E_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=C([S](Cl)(=O)=O)SC=C2)(=O)=O,XRKIRNTWAUXLTJ-UHFFFAOYSA-N
-531A8F456E71C330_C72C7922F43752BF_6038_UN,CC(C)CC(NC(CCC[Si](C)(C)C)=O)C(=O)NC1=N[NH]C=C1,RPCYSXZZSKGXBX-UHFFFAOYSA-N
-550E3D425BE7CAF9_6B4B9623573E7AE2_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C=CCC)=O,NJQMIXRVFBCYLY-UHFFFAOYSA-N
-55700A807FA491CA_030F08C2D20D9214_6029_UN,COC2=C1CN(CCC1=CC=C2)[S](C3=C(C=CC(=C3)Cl)C4CC4)(=O)=O,FEYUCYISOXNNPF-UHFFFAOYSA-N
-55839978A587B28E_B46367CC91221A3D_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)Cl,ILHJGZONROXUBB-UHFFFAOYSA-N
-57A33E891CD0B6D0_6AE35ECD5C782C46_6038_UN,COC(=O)[C@@H](NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC2=C[N](C)C=N2,MQLSQZBVIHWZEQ-LBPRGKRZSA-N
-57C2278C2A0BC1F9_8D7C61D7110B1452_6029_UN,OC(C1CCN(CC1)[S](C2=C(C=C(CO)C=C2)Cl)(=O)=O)C3=CC=CC=C3,QJJPETLMPPWPHF-UHFFFAOYSA-N
-5B24C5DDE8388084_0A110CBB1AF00C3D_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(CN(C)C)C=C(C=C2)C)C,QGISADFUWSEVJV-UHFFFAOYSA-N
-5B6BE45D680D4E16_AC326E69DB2CAA19_6029_UN,OCC1(CCN(CC1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,RPMVBFRDZNLCEH-UHFFFAOYSA-N
-5BECAFEDE8DFE9F6_8F6AE53AA52C774D_6029_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C3=C(C(C)O)C=CC=C3)(=O)=O,UDIIWALQGQDYKD-UHFFFAOYSA-N
-5BF6E1051DFF174A_CE386895B01EECEA_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,ZFZDROSRBZDCED-UHFFFAOYSA-N
-5C198F896E1B6986_B268235AD56D25D6_6039_DP,N[C@H](COCC(C(C(OC)=O)(C)C)=O)CC1=C[NH]C=N1,HAZFGWGJVQCYAU-VIFPVBQESA-N
-5CDF143BCFC06571_B397AAD4AC9E6918_6038_UN,CC(NC(C1=CC=C(N(C)C)C=C1)=O)C2=NN=N[N]2C3CC3,ORCCLMLZNFXIIA-UHFFFAOYSA-N
-5DB0385D8251934C_D730516EA3A4EA99_6041_UN,COC1=CC2=C(C(=C1)OC)C(=CC=N2)NCCC(N(C)C)=O,GIUDDXFMOYKOKN-UHFFFAOYSA-N
-5DF3BB7E0BE0883E_E322224AFFD26BD2_6029_DP,N(CC(C1CC1)C2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,RZBRLRPVYXWPDA-UHFFFAOYSA-N
-5E55E79E4F0B62C0_1E5FCAD65B864DE4_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)F)CC3)C#N,YBFQZNUMTWHNIQ-UHFFFAOYSA-N
-62340F0459B23BB2_0570580612E91C2C_6029_DP,N1CC(C1)C(N[S](C2=C(SC)C=CC=C2)(=O)=O)C3=CC=C(C=C3)F,WVAVJQSMMKFUCM-UHFFFAOYSA-N
-62D0100E1CAEC30F_8FF82FB304EFA5CD_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C(C(C)=C3CC3)=O,KQPFVYCNZBLWDK-UHFFFAOYSA-N
-62D391B0E565CA12_19A96DEAF36B09DC_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=C(CCC3(C)C)C#N,GVKBQGXHEQOBEG-UHFFFAOYSA-N
-6343B0E1EA1E92A7_17B5CF6D349869A4_6041_UN,CSC1=CC(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2,UAODGUYFMNPSIO-UHFFFAOYSA-N
-6343B0E1EA1E92A7_7DD605C1D7C629E7_6041_UN,CSC1=CC(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2,UAODGUYFMNPSIO-UHFFFAOYSA-N
-6383450FB11C8D23_BED49F822EEA1725_6029_UN,C2CN(CCC1=C(C=CC=C1)C2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,ZNTKWCJTZIGZIE-INIZCTEOSA-N
-64646125E5B1A8F0_B0F2BFDC158C76A9_6029_UN,CC1C4=C(N(CC1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C=CC=C4,HPAKGLMHYYWYNK-UHFFFAOYSA-N
-64D0649BEF7B0A24_60DE25A6E76746DB_6038_UN,CC(NC(C2(C1=NN=C(C)[N]1CC2)C)=O)CC3=C(C=C(C=C3)N(C)C)C,XFBKXQDMGNNSAV-UHFFFAOYSA-N
-6598DD11921E4E35_887FEE7372711B6A_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@H]3[C@H](C2=C(OC)C=CC=C2)C3,GTGISEPNIHXIKU-GVDBMIGSSA-N
-670D08E3B226059C_F50E51DCC8E13384_6029_UN,CN2CCC(CCN[S](C1=CC=C(C=CCBr)C=C1)(=O)=O)CC2,RGGCGXLWDTWJJV-UHFFFAOYSA-N
-67852F04967150E7_629C55CC3B16BB8F_6041_UN,CC1=C(C(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2)C,NMQUEEOYNMOGFZ-UHFFFAOYSA-N
-67852F04967150E7_F49C49B5F7AE0DBF_6041_UN,CC1=C(C(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2)C,NMQUEEOYNMOGFZ-UHFFFAOYSA-N
-67E3113AEE20DB90_991798811E1AFB93_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(C)(C)C)N,KHXQKHCBLHZPQK-UHFFFAOYSA-N
-684A76DEAEE894D3_1DBE15C6ED341F4E_6029_UN,COC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,FIYDRJHMKAGQGU-UHFFFAOYSA-N
-68B811AE366B01E9_FEE3B1EB0C9B37BD_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC(=C(OC)C=C3)C)(=O)=O,LYAGLMWDANCHOZ-UHFFFAOYSA-N
-6C08D0EFCA40B003_4833B6CAB7B1B36E_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)C5=C(C=CC=C5)F,VKSVKUZPHXAQQB-UHFFFAOYSA-N
-6DD3F3036EF46B8E_EF8A2F96E7AB0CB9_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,JKZODVMFFBRJMT-UHFFFAOYSA-N
-6E86EAB900617964_4F8DD835C7CE1290_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C(N(C)C)=O)C=C(C=C2)C)[N]3C,XWFCJXRZHAIFRW-UHFFFAOYSA-N
-701BF5F0D354D718_9447BD355BF155E6_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC(=C(OC)C=C3)C)(=O)=O,CUBWUPKIQWHDRL-UHFFFAOYSA-N
-709C21479D027F30_4BF8746F5E5D3F3D_2875_UN,N3=N[N](CC1=CC2=C(C=C1)OCO2)C=C3CC(C(C)=O)C(=O)C,NKZFDOQRAFFHLC-UHFFFAOYSA-N
-71D8AE5CC2B2310D_94EE8AC59118CE5D_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=C(C=C3)CBr)C)(=O)=O,WAVURSASDJOLBY-UHFFFAOYSA-N
-72DD660EAF93AD28_6553337809430364_6031_UN,C[N]1C=C([N](=O)=O)C(=N1)CC(=O)OCCC#CC2=CN=C(C(OC)=O)C=C2,XYDQQQQKMJYYHW-UHFFFAOYSA-N
-73C033E2CCB04570_F922A3D9A65E36BC_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(CN(C)C)C=C(C=C2)C)[N]3C,KIJLGNHHZNUNNF-UHFFFAOYSA-N
-75B922C8B65B7B49_88C44BE5A3AFD995_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(=O)[C](=[C]3C[CH2]C3)F,RIFQCKXNGDPFMG-UHFFFAOYSA-N
-75EBFAE27773B598_E7CC108D75ACA650_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3CCC(OC)CC3,XHAIYLYCTLVNEA-UHFFFAOYSA-N
-777B978B3BF65F4A_0429C38D9CEC1775_6035_UN,C[C@H](OC1=C(C=C(CC(C(OC)=O)N)C=C1)F)C2=N[NH]C(=N2)C,GPSNNEMUYTYMTN-KBPLZSHQSA-N
-78229A63443ABDBF_5114AEFA07151DFE_6038_UN,COC1=C(C=C(C=N1)NC(C(CC(OC)=O)=C)=O)C(=O)N,YUJAIHSVJIIDAI-UHFFFAOYSA-N
-7A413486E7EC5930_21C18131C5D3C93B_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)[N]4C=CC=C4,TZHXKEJABXFRQY-UHFFFAOYSA-N
-7A623C6D81631128_EAB2747D63C7410F_6029_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C4=CC(=C3CCCC3=C4)C)(=O)=O,IKVYXMGHOCLADF-UHFFFAOYSA-N
-7ABAAFB1BF44B604_8FC5774F5F30E223_6038_UN,N(C1=CC(=CC=C1)F)C(C2=N[NH]C(=C2)CCCCC)=O,LLOWVCMRWHRUNU-UHFFFAOYSA-N
-7B8E6BF25B52950F_A87BCC2A8F2E8461_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,HRFLEVOMMFYYPM-UHFFFAOYSA-N
-7BED8641652B0904_038DDF15CDDCA406_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2N[C@@H](C(C)C)C(=O)N(C)C,SJRNCGLAWDDELI-JTQLQIEISA-N
-7C56E4E1C6606CB7_A7858DBE6CEC735C_6029_UN,OC(C1CCN(CC1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,XESHYQIAEMYNFS-UHFFFAOYSA-N
-8038951687FA9518_EC2DB13F77921B97_6029_UN,N(C(C1=CC=CC=C1)C2(O)CCC2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,SDFHGTGUDYSNFY-UHFFFAOYSA-N
-80B8144C5268C9F7_F077C3BDC6C4736B_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C=CC=C3,YUYHOHBAEMKSLZ-AWEZNQCLSA-N
-8131498C47324BA3_68ABC7C6550CFE7E_6038_UN,COC(=O)[C@@H](NC(C1=CC(=C(C(OC)=O)S1)C)=O)CC2=C[NH]C=N2,JFMWWPYYQRSCIS-JTQLQIEISA-N
-81C4A80A966B977A_8367748A1F2BD084_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2OC)OC,KXYGPKVFMALFFU-UHFFFAOYSA-N
-82951E54D5E4B49B_6CCF8D4CC4832315_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,UXYNJHTWBYEPPO-UHFFFAOYSA-N
-850B69078C960522_53664E91ED8DDAE5_6038_UN,CC(C)C(NC(C(=CC1=CC=C(N(C)C)C=C1)C#N)=O)C2=N[NH]N=N2,KABUTWLYQCHSTH-UHFFFAOYSA-N
-87703C35A536D7CE_6C9E400CF88DBE27_2875_UN,CC1=NOC(=C1)C[N]2N=NC(=C2)CC(C(OC)=O)C(=O)C,AMQBIESSCOSTLN-UHFFFAOYSA-N
-87F8CF3804C62D81_47A4C2D338324E12_6038_UN,CN(C)C1=C(C=C(C=C1F)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,WYUOUACNYUFIOS-UHFFFAOYSA-N
-88651E1CE5B8F3C3_B5A9C71FC875E276_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Br,ZWGTXLZMEAYRCI-UHFFFAOYSA-N
-889BEE0B78D47BE2_A6E66866BB87EA03_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3)Cl,YQLKZBGVDNKTFR-UHFFFAOYSA-N
-896E5F09EE027936_C51D223C027EBA2F_6041_UN,CCC1=CC(=CC=C1)NC2C3=C(OCC2OC)C=CC=C3,XWQKAKVJOONWSD-UHFFFAOYSA-N
-8A31C148088247F0_EF36C542A2609B84_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC=C2)NCC(C)(C)CCC#N,UMCOPNSZCUMOKM-UHFFFAOYSA-N
-8ADCBE6DA1FCBDAF_D4B10EF687C7B07F_7013_UN,N1=C(CCC(N(C)C)=O)[N](C2=C1C=C(C=C2)Br)C3CC3,QHJWREVXWLEKRU-UHFFFAOYSA-N
-8B31AE0521B1FDE4_7BFF23B66117072F_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)C5=CC=C(C=C5)F,KCIWAJWSSVIWRO-UHFFFAOYSA-N
-8CE7E683B390F59B_6DA6826E1D29F176_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=C(CCC)C=CC=C3)(=O)=O,PUINCKZEQYZBGY-UHFFFAOYSA-N
-90C4358C5A501A51_125408DE1F0F8CB0_6029_UN,C1CN(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,WWADAYCEVBNNSU-UHFFFAOYSA-N
-912A786A5CC683C0_D7026963EEC1A149_2267_UN,O[P](=O)(O)OCC#CC2=C(C1=NC(=N[NH]1)C)C=CC=C2,GGZJOIZBMICAPZ-UHFFFAOYSA-N
-968889B8BCE1AACE_34746B368416CE06_6039_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)CC(OC)CC3=CC=CC=C3,BIVPZJCIUIPLDO-PNRVRQOCSA-N
-9772BDC60B7950BE_BFAC120910DDE352_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(F)C=CC=C3C4CC4)(=O)=O,SLCRGRSAKHDRSZ-LPHOPBHVSA-N
-986F1F961AE90325_14F3797F80DCF68D_6029_UN,OC1(CCN(CC1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,KRBRSTLLGDBHMU-UHFFFAOYSA-N
-9A4FD949A5D2C9A9_627652727C4AE472_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,JYGIJLIDKUVVFH-HNNXBMFYSA-N
-9DD055B631FFC0CF_F51A5F5973334AA1_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2C)O,CUJBTXJCKVQBAL-UHFFFAOYSA-N
-9DFB57AB4A6615DC_DB007354DDAEFECC_6035_UN,CCC(OC1=C(C(OC)=O)N=C(C=C1)Br)C[N]2N=NC(=C2)CN,VXADWWUCYJLGPH-UHFFFAOYSA-N
-A0A3BDDFE7C057BB_275A8E905D60D933_6038_UN,CON(C)C(=O)C1=C(C=CC(=C1)F)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,UFPMWGCWBSRLJH-UHFFFAOYSA-N
-A1AA1F6572C03767_A9923090215E295C_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,WLSVLHGNCSMAHG-UHFFFAOYSA-N
-A1C537C18DB0C3BD_17FE15CDCF7938F1_6026_UN,CN1CC2=C(CC1)C(=CC=C2)[S](=O)(=O)N4CC(C3=CC(=CC(=C3)C)C)(CC4)F,MLFJTTGGTVVJNB-UHFFFAOYSA-N
-A29C4F283E83A794_5047F8C874A5810E_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3=CC=C(OC)C=C3)C4CC4,RXOHWVITPRWQHK-UHFFFAOYSA-N
-A3103AE8E5DADFBA_FA063E345920A683_6029_UN,C1N(CC=C(C1)C2=CC=NC=C2)[S](C3=C(C=C(CC(C)O)C=C3)F)(=O)=O,UMPIFTWUXCQEOG-UHFFFAOYSA-N
-A3A8A333E4FC413D_901C42353F12AFD7_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,SACSGJYZGKCRRV-UHFFFAOYSA-N
-A6C6F2EF9B217FE7_F593F95B99327206_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC(=CC(=C3)CC(C)O)F)(=O)=O)C=CC=C4,AXCZACSHPICFQT-UHFFFAOYSA-N
-A7AC96C8B0C025C2_85DCB1512EDD8672_6038_UN,COC1=CC(=CC(=C1)OC)C(OC(CC2=NC(=N[NH]2)C)=O)C#N,HJWQLLWFLLJDRD-UHFFFAOYSA-N
-A8462519B8CFE731_CA97A4A5DCFE0128_7022_UN,COCC1=C(C=CC(=C1)OC3=CC=C(C2=C[N](CC)N=N2)C=C3)Cl,CGOXPZCEPIXVGS-UHFFFAOYSA-N
-A8CA9C917FB65591_BB7599D53EF0505D_6029_DP,N(C(C1CC1)C2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,HINUEMMCFXVIEJ-UHFFFAOYSA-N
-A9C9C15C65B04066_1B56B48DB5C09486_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)OC,WFUQJWYBIHHRMF-UHFFFAOYSA-N
-AA808F8667E13127_06EB346ACBB820BA_6029_UN,OC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=CN=CC=C4,KCYMXRONYDNUMT-UHFFFAOYSA-N
-AB885A62ACB9D40F_671178F74EE4737C_6029_UN,C1N(CC(=CC1)C2=CC=CC=C2)[S](C3=CC=CC4=C3CC(C4O)(F)F)(=O)=O,SGCKITYULRWAIN-UHFFFAOYSA-N
-AEC46F120F6F2716_EC90FD9F9B0066DD_6038_UN,CC(=O)C(NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)C3CC3,RSIBKMGEJORBIN-UHFFFAOYSA-N
-AF71183FECA5547E_67EB78822137E2BC_6028_UN,N(C[C@H]1[C@@H](C1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,FWQSXWCQWULHAS-ZFWWWQNUSA-N
-B17728DD0B113CC8_0D6DFBBEC86E6741_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C=C(CN(C)C)C=C2)C)[N]3C,HCQRFMDXFOYQPH-UHFFFAOYSA-N
-B2CA6E781464E318_880DFCF0BB91BC86_6029_UN,OC1(CN(C1)[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,TVKHIYAEIFAXKN-UHFFFAOYSA-N
-B32808C4D3D299BC_EFBFF76908B915DF_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=C(C)[NH]3,MPHHZCIMKXTOHH-UHFFFAOYSA-N
-B3586953FB85E29B_A675E6E2043B4850_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O)C=CC=C4,OJUFSOHGNBNQIN-AWEZNQCLSA-N
-B364B2C815B9C898_423966473563C466_6038_UN,CCOCC(OC(C1=C(C(OC)=O)N=CC=N1)=O)COCC,PVBMHUNUAOLUMT-UHFFFAOYSA-N
-B38983E25C9B93C5_E57019DD16645921_6041_UN,COC(CC1=CC(=CC=C1)NC2C3=C(OC2)C=CC=C3)OC,ZDMBTAHXDWKUAH-UHFFFAOYSA-N
-B432074636F80FA5_A8E020591E6FF975_6041_UN,COC1=C(C=C(C=C1)C(O[Si](C)(C)C)C#N)NC2=C(C=CC(=C2)C3=N[NH]C(=N3)C)C,FVBIBWPCAJSZOD-UHFFFAOYSA-N
-B4E4E3599C38E5AE_5C5E63B714CC9A29_6028_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,YABSPOQXJKABRP-UHFFFAOYSA-N
-B543BB7D78BAFA9E_1977864418BD5FBD_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,SWCSSYJNUQNHMV-UHFFFAOYSA-N
-B6385BB1D9B51E47_E21DB9D29FC5CB67_6041_UN,CN1N=CCC2=C1N=CN=C2NC3C(C)OC4=C3C=CC=C4,COLJGDNKSDDHHY-UHFFFAOYSA-N
-B6C3A64D3DF9EF96_4D04A10EEFA0A0D5_6038_UN,COCC(NC(C1=C(C=C(OC)C=C1)OC(C)C)=O)C2=NN=N[NH]2,WLAUJMBUNXFPCB-UHFFFAOYSA-N
-BA5B231D6012193D_9E139D34E6859248_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC4=C3C(C)CC4(C)C,MOFXWDFZGODBRM-UHFFFAOYSA-N
-BA9DBA0825BCBDF3_2EBADF25EE70D713_6038_UN,COC(=O)[C@@H](NC(C=C([P](CC)(=O)O)C)=O)CC1=C[NH]C=N1,GZTAPQAMAMIVNT-NSHDSACASA-N
-BC831F4A1DDF22CB_0088A31A90A5C13E_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4CCC(C3=CC=C(C)C=C3)CC4,XDZHAEIBDGLCMH-UHFFFAOYSA-N
-BDC7E1BB8F7B46E2_F19036983BE6DB97_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3,SWJIZQNDQPAVPF-NRFANRHFSA-N
-C0E36067FB21C04B_52B20029C0FA91F1_6029_UN,CC1CN(CCN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=CC(=CC=C4)F,NACIHXLRMJUDTN-UHFFFAOYSA-N
-C23DE1BF55C502D4_EAB4BE28BAF64435_6035_UN,C[C@@H](OC1=C(C=C(CC(C(OC)=O)N)C=C1)F)C2=N[NH]C(=N2)C,GPSNNEMUYTYMTN-SZSXPDSJSA-N
-C2EFFC3364E7FEE3_54BFFF103072CE78_6038_UN,OB(O)C1=C(C=CC=C1)OC(C3=NC2=NC=N[N]2C(=C3)C(C)(C)C)=O,HMJQYKMXIAKGIA-UHFFFAOYSA-N
-C38543F5D9A88F72_BA934887757083A1_6029_UN,C1N(CC(=CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,ZITOXJPIBGMPPQ-AWEZNQCLSA-N
-C427D0D8D250B01E_E47C33D064C8A0DE_6034_UN,CC2=NC1=C(C=CC=C1C#N)N2CC3CCC(C)(C)N3,ZPYXIWOXLDLZPV-UHFFFAOYSA-N
-C55550FA2C9AABE9_488A591D141046F7_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,JLEPNFCMFKUVOZ-UHFFFAOYSA-N
-C5AC78CCD62E193C_432D8CC5CFC3D900_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C3CC3)C4=CN=CC=C4,AWURDBANZLZSHG-UHFFFAOYSA-N
-C6BA5B61677A4F35_ACA2E4456D4002A9_6031_UN,CC3=NN=C(C[N]1N=NC(=C1C)C(=O)OCC2=C(N(C)C)C=C(C=C2)Br)O3,HJJMMIZKQHXAJK-UHFFFAOYSA-N
-C87356AF433C7AC0_61BABA801D2BF512_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=C(CC)C=CC=C3)(=O)=O,WDPNAUQVNGUTOO-UHFFFAOYSA-N
-C877A6FE70E85DFB_0005BB48D42960D8_6029_UN,N([C@H](C1CC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C(SC)C=C3)(=O)=O,IKCUCFXPOUMPLH-QGZVFWFLSA-N
-C9D6BFB999A68F02_094F2CEF2906AEBC_6029_UN,N(C[C@H]1C([C@@H]1C2=CC=CC=C2)(F)F)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,CGUWPQDJJRIGMJ-IAGOWNOFSA-N
-CAF118C0AED4B49F_8CFA047ED7019B04_6029_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,IQUMQJJXKTWFHZ-UHFFFAOYSA-N
-D050BC5174EC5BBC_28F1E22D504984E2_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NC3C4=C(OC(C)(C3)C)C=CC(=C4)F,LZEZSFZATAOXFV-UHFFFAOYSA-N
-D28DF5D093F59102_97D87FC63CFF04F1_6029_UN,C1CC(CN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,NIEOBFMUGGRMFK-UHFFFAOYSA-N
-D2E44F47C9C761AE_7F712886C63C0085_6038_UN,CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,DFSSDBJXQXTIRW-UHFFFAOYSA-N
-D466C87FDA2CC245_26829681B97E5662_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4)Cl,GRUYKNFZZMDLLO-UHFFFAOYSA-N
-D59A4813AD70C531_FA5FD2A60F24FDF4_6038_UN,COC(=O)C(NC(C1=C(N=C[N]1OC)C)=O)CC2=C[NH]N=C2,KRZPSSMSKZLAFE-UHFFFAOYSA-N
-D89387B0219010AC_6F1B6AA0B1E4093E_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=C(C=C(CC(C)O)C=C3)F)(=O)=O)C=CC=C4,NZBIURKLLNOWSI-UHFFFAOYSA-N
-DA529641F8ECF842_CD19BB0E3DC88064_6029_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,HTGUUWQOTSDXRU-UHFFFAOYSA-N
-DB2ED12CEBC3DDAF_71848F0C6E636171_6038_DP,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C(O)=O)C=C3)F)=O,ZKIOVUPAEQDYMO-UHFFFAOYSA-N
-DBB8832E3E05D4B0_F7AC7622AF36C1E8_6041_UN,COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)C3=N[NH]C(=N3)C)C)C(=O)CC(C)C,HWLWDUSBHHUWAX-UHFFFAOYSA-N
-DCA9CFCD8073E844_65F2A21E9FC4E8AB_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=C(OC)C=C(C=C3)Cl,CINRDELDRPNNGY-UHFFFAOYSA-N
-DD9D0A7C6B240F9F_CD1605EB4D884E23_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O)C#C,UKWRZPCDJNTNNI-UHFFFAOYSA-N
-DDC74A45E3BD12AD_CE0EE803A873ACCF_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,CUYBJOGOBJRTKM-UHFFFAOYSA-N
-DE73152941BEFCFD_CEB3F6110EA6CD17_7019_UN,C(C1(C[S](=O)(=O)Cl)CCC1)=CC2=C[NH]C3=C(CC)C=CC=C23,ANLJTWPETZYNIY-UHFFFAOYSA-N
-DFD365F2E0658D08_50D7709ADDAA6102_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OCCC2)C=C(C=C3)F,NDAOJNXCSHFCSM-UHFFFAOYSA-N
-E08E506C9AE51DFC_A77FF4BE436961D4_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NCC2=C(C=C(N(C)C)C=C2)C)[NH]3,YQZXXAUPBCZQQZ-UHFFFAOYSA-N
-E578D122F33DE55F_517E2C0B58726A23_6041_UN,C1(=CC=C(N=C=O)O1)NC(C)CN(C)CCN2C(CCC2=O)=O,NIHAXQGMCNUOBK-UHFFFAOYSA-N
-E5B64EFC78A4453D_BC4F48995884EDBF_6038_UN,CC2=C(NC([C@H]1N(C)C(CC1)=O)=O)C=N[N]2C[Si](C)(C)C,LMOXERDYYZICIT-LBPRGKRZSA-N
-E65F3813C1593616_44E895141EAFE7F8_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,QVZVCEQSENLBRY-MQMHXKEQSA-N
-E6E0F68CE53A23C3_2CE5D8A170DEE065_6029_UN,N#CC(=C1CCN(CC1)[S](C2=C(C=C(CO)C=C2)Cl)(=O)=O)C3=CC=CC=C3,SQQLSBGFDBWCHL-UHFFFAOYSA-N
-E9068F1D4F9C83E1_7C943E14A6953D4C_6029_UN,N([C@@H](C1CC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C(SC)C=C3)(=O)=O,IKCUCFXPOUMPLH-KRWDZBQOSA-N
-E935B7B72C6FF591_7CF19AF96CC9BE55_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,WBZNHQSDJDNFLX-UHFFFAOYSA-N
-EB400E975127A18E_8AE15A621A9A24EE_6038_UN,CCC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NC(=N[NH]2)C,SEVONISFVVDFNC-UHFFFAOYSA-N
-ED14157F698780EC_4C4C84BDE6EFFA78_6029_UN,OC1(CN(C1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,JVVPYNLHGCCEPM-UHFFFAOYSA-N
-EDF36B179CA7A4D8_808AD118A0046945_6029_UN,N(C(C1=CC=CC=C1)C2(O)CCC2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,ZEVDWECMMSHIJG-UHFFFAOYSA-N
-EF31720384044D44_863EA66702030F6A_6029_UN,ClC1=C(C=CC=C1)C5=NC2=C(CN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)S5,SRPCXNBTLAOAOZ-UHFFFAOYSA-N
-F0B240D7AAA7330A_B6D2B0792BA6019C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC3(CCC3)C4=CC=NC=C4,YKDIDNMNCSNYRV-UHFFFAOYSA-N
-F146D9D24DC357C3_500AC8E2BF97835A_6029_UN,N(CCC1=CCCC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,OSSLLGULRNIVBR-UHFFFAOYSA-N
-F294B507910953F9_70B67587966ACF93_6038_UN,O(C1=CC=CC=CC1=O)C(CCC2=CC=CC(=C2F)OC)=O,KQWZJIGZTOTZSE-UHFFFAOYSA-N
-F29B1C46C81A0C53_8F961868E5150952_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CC=CO4,GOXTZGKVKDWGLF-UHFFFAOYSA-N
-F37753D0319EE2AD_C3364B993DFC789C_6026_UN,ClC2=C1C=CC=C(C1=NC=C2[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4)Br,SJHBXXJULZYWDC-UHFFFAOYSA-N
-F489A77544F7455F_F7727A51A3C62000_6038_UN,O(C1=CC=CC=CC1=O)C(C=CC2=C(C=CC(=C2)OC)OC)=O,FDXRKPZKFVHRPA-UHFFFAOYSA-N
-F66724BF26022C5D_0282F3A0E3A95299_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(CC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,KJEIONJWRUHAII-IBGZPJMESA-N
-F71F692A13484CC0_F6483D9BFB2D755B_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N4CCC(C3=CC=C(CC)C=C3)CC4,IZURBXQGQGTFBO-UHFFFAOYSA-N
-F7471F6443D46388_B5490EE8E008FD5D_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C=CCC)=O,CVAZTQYCTMSTRJ-UHFFFAOYSA-N
-F763B28DB1BECAEB_F759A64CA7505D44_6038_UN,CC(C)C(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=C[NH]N=N2,WQZVBBPKETWXGZ-UHFFFAOYSA-N
-F794275CFF506D5E_4301F3A1F7AB46E0_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3=CC=C(C=C3)C4(CC4)C#N,NQULYDKDYPHHLA-UHFFFAOYSA-N
-F8148DAB798C6258_C62450F12F7C5302_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C=C(C)C=C)=O,QSWGXPNIQBZTNG-UHFFFAOYSA-N
-F830C378E44DE7A2_F433C54BE0C44D33_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C(C)=C3CC3)=O,QZNSHCXZKIAPJF-UHFFFAOYSA-N
-FA5451173EFA74A2_01AAA2410769A90D_6038_UN,CC(C)CC(NC(C1=CC=CC2=C1OC(=N2)N(C)C)=O)C3=NN=N[NH]3,OEVLMZVSGSMPRM-UHFFFAOYSA-N
-FBF5D3FCF9314072_11D52EEAD8516363_6029_DP,OC1(CN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=C(C=C4)F,LYUFSADYIOYIID-UHFFFAOYSA-N
-FD48B2A0C3BE1921_16845331BA31B7B6_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(C(C)C)N2CCC(CC2)C)=O,BOQWRJZNJNIQGY-UHFFFAOYSA-N
-FDCEFCBF282325BE_0A0DA08BB379476F_6029_UN,CC1=CC(=CC=C1)C4(N[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O)CCCC4,PIIYYTOQCFMYFB-UHFFFAOYSA-N
-FE9CCBEB8DCA91F5_8E06E3C4E6A2D336_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,NJWZZEVGKOWHQB-UHFFFAOYSA-N
-0008325E898A2C82_1BB1308CC809BD61_6041_UN,OC(=O)C1=C(N=C2SC=C[N]12)NC3=CC=C(C=C3)N4CCOC4=O,CTZQEFTVSRJIPG-UHFFFAOYSA-N
-018D8B6175830227_995782E7102C1D19_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CN=C(CC(C)C)C=C3)(=O)=O,NOCUKXLGGJHJNA-UHFFFAOYSA-N
-02A643A69948B7FB_A7F4C985CBED5B22_6041_UN,COC1=CSC(=N1)NC2=CC(=C(C)C=C2)N3CCOC3=O,SEUUMEUDUCMWNF-UHFFFAOYSA-N
-04448C60BF32177E_B1F8D9CAB1C731AC_6029_UN,N(C1CCC=CCC1)[S](C2=C(C=C(OC)C=C2)C)(=O)=O,YRKBFQYBHMIUMP-UHFFFAOYSA-N
-05F5EFB92EE1B328_9119CC01E0FFD549_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=C(C(C)(C)[S](=O)(=O)C)C=C4,VXFLXVSDSKSQBB-UHFFFAOYSA-N
-05F998BDDAA2875B_BE948595646E17AF_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC([C@@H]3C[C@@H](N(C)C)C3)=O,ATFWJZVAHAYUDZ-XYPYZODXSA-N
-06414DEC753FCCDD_360FD7783836ED01_6029_UN,CC2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=CC=CC(=C4)P(C)C)(=O)=O,GERHLPRIZQIDRL-UHFFFAOYSA-N
-0A1F3E2346F5CE4B_85B4BC8FA7087D20_6029_UN,CC1=NC2=C(C=N1)CN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,VAXBLNHWRANPDU-UHFFFAOYSA-N
-0A23F7988066ED02_5DCBE49E9F94FB57_6041_UN,CN(CC(=O)O)C1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,WRHQAHVJJDVSMI-LBPRGKRZSA-N
-0B52216F35DE87BD_83185099296ED91C_6029_UN,FC1=CC(=CC(=C1)F)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,DSEDMKYQFKMZRP-UHFFFAOYSA-N
-0B771BEC422EC8B8_49D581DA5AC161D2_6038_UN,COC1=C(C(=C(C=C1)NC(=O)C2=NNC(=O)CC2)OC)OC,VRFVUYFXUKBAJU-UHFFFAOYSA-N
-0CAE16F61FF5652A_425F4F14A656DA0A_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,OGKLMSVHTYDJSM-UHFFFAOYSA-N
-0D734A82EA6CA308_6F6D2CD664D77963_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3CCC#C[Si](C)(C)C,MUERPWKRTUBKQB-UHFFFAOYSA-N
-0FD7CD5392399431_3E5B3F5C9B569E25_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3(C(N(OC)C)=O)CC3,BAASBIPOBDHXNN-UHFFFAOYSA-N
-124F37BAB2AA4A96_0CF54237C258842E_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@H]3CN(C(C)=O)CCC3,GYQBDBQZYXFVOY-GFCCVEGCSA-N
-124F37BAB2AA4A96_90690D9F2472192A_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@H]3CN(C(C)=O)CCC3,GYQBDBQZYXFVOY-GFCCVEGCSA-N
-13E048E7F59A4B17_BF5D9EFCBC5AF8B6_6028_UN,N(CC1CCC=CCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,WIWPJCIPFGPUHR-UHFFFAOYSA-N
-1453C8516D109B2E_5AC70DC34C165980_6041_UN,C[N]1N=NC2=C1C=CC=C2N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,WIOZINIEWNUKRP-DGCLKSJQSA-N
-146842E49688E491_EF594135DBB2509B_6041_UN,COC2=C1[NH]N=C(C1=CC=C2)NC3=CC=CC(=C3C)C[S](C)=O,KMJQGHFPMPPWPS-UHFFFAOYSA-N
-15E116644F67EA1F_67B22ADE8FBA579A_6029_UN,ClC1=CN=C(C=C1)C2CN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,GHXSJUHGFVIPBF-UHFFFAOYSA-N
-167B8E6A85EAD4D4_743259E7D1D1E256_6038_DP,N1CC(=CC1=O)OC(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,RDAAUGFDDDZZTI-UHFFFAOYSA-N
-169DEF37F0457BA6_62016EF7BBB3CCEA_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NC3CCN(CC3CC)[S](=O)(=O)C,YOQILHDESLJXJB-UHFFFAOYSA-N
-17CBB4EA0DF53D81_54F54EBD2FE41AEF_7019_UN,CC1=C(C=CC=C1)NC(=O)C=CC2=C(CO)C=CC=C2,YTGSINMRCRIEBP-UHFFFAOYSA-N
-1890EB3E44DDA940_7842D1D97710395A_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,OWZMOLQZIDIRNJ-UHFFFAOYSA-N
-1A3674F3D07CD51F_E56B2C0FCAF4EC54_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3C[S](CCC3)(=O)=O,BGTJNAOBHSIYTN-UHFFFAOYSA-N
-1A6087D2AA811C50_0CDB672BCBF3567F_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NCC3C[Si](C)(CC3)C,QQIXJHPDTSISFN-UHFFFAOYSA-N
-1D3390C8466D16D0_9E52AA8B040F864D_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(COC)C=C2)=O,IQMOFRDWMGRSNP-LLVKDONJSA-N
-1DCED1F9549353AA_6020A499627C1AC8_6041_UN,CC1CC(=O)C2=C1C=CC(=C2)NC3=C(CC)C=CC=C3,FOGWJIIFYBGBLD-UHFFFAOYSA-N
-1E0453486049EC88_DC64EE93ADB20409_6041_DP,CC1=C(C=CC=C1)C(=O)C2=CC=C(C=C2)NC3=C(CO)C=CC=C3,BSXNZTFIKNOCHQ-UHFFFAOYSA-N
-1FB3C288F17021A9_DD34C00E1030707A_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@]3(C[C@@H](OC)C3)C(=O)O,NHNHAGVUBHQYGQ-WGRBQBNCSA-N
-202296EBA15D831B_78F904130931E834_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,DBVYNQZPCYTHJC-UHFFFAOYSA-N
-2047D984B1DFFE00_D4AF8D82A8658265_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)CBr)(=O)=O,YPCBBMQEDCWDLC-UHFFFAOYSA-N
-211BB120054B6BF3_5A3D7A85A9395FA3_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC4CCN([S](C)(=O)=O)CC4,INCJGGJOUBQPNO-UHFFFAOYSA-N
-2122407CF6131B2B_D6B4B0E12CA91FEF_6035_UN,C[Si](C)(C)C#CCOC3=C(C2=NC1=C(C=C(C)C=C1)[NH]2)C=CC=C3C,WJQXGODPUVZDDG-UHFFFAOYSA-N
-24B91ACB7A264B51_9E6ADBF0C6B5E93E_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3ON=C(CC)C3)=O,RXCBHRYZIMETTO-UHFFFAOYSA-N
-259070BD9B8F5961_8FCECCFB66C99741_6029_UN,ClC1=C2C(=CC=N1)CN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,RCZQPJQQHAUBLS-UHFFFAOYSA-N
-28E26C8B7A455B02_3324BFD65F176906_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CN(C2=N[NH]C(=N2)N)CC3)=O,HOWIQNXFGDIOEX-UHFFFAOYSA-N
-2963EE697626E2AB_926AC04C6CF176B3_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC3C[C@@H](OC)[C@@H](C3)OC,GMNHIBZIYQCVCB-HZPDHXFCSA-N
-29C07058FDDE4756_200A0993E9D13F6A_6028_UN,N(CC1=CCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,PUMCNIPWHJWTEP-UHFFFAOYSA-N
-29ECADC5BE1A2972_D9CB0E8156AB0487_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,VBWJWOQLDNJXTK-UHFFFAOYSA-N
-2A29F8CAFAD542EE_740E13B591910CA0_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C3(C(OC)=O)CC3)=O,FRPAPBFAMPXZGH-UHFFFAOYSA-N
-2ABD5B47719E2B97_59C0919DCAAEF10C_6029_UN,FC1(CN(CC1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,VAQJBDZWPCQTDQ-UHFFFAOYSA-N
-2B22F9E86B5952F2_C88C6B00DE182B94_6041_UN,CC1=C(C=C(C=C1)NC2CCN(C(CCC)=O)CC2)C,ZJMMJQKJOIPGDH-UHFFFAOYSA-N
-2B67A8020443946E_0080BB4F95D4463F_6041_UN,CN4CCC1=C(C(=NC=N1)NC(C)C3=NC2=C(C=CC=C2)[N]3C)C4,HYQWLEYFHZMBFW-UHFFFAOYSA-N
-2CABF2A779FCA03C_CADD85769E23CE43_6041_DP,CCC1=C(C=CC(=C1)NC3CCN(C([C@@H]2CCCN2)=O)CC3)N=C=O,IIYXTARIAAKBBB-SFHVURJKSA-N
-2F67068FE61C7B66_4D7BDACACBCCB2E3_6041_UN,COC(=O)C1=CN=C(S1)NC2=CC=C(C=C2)N3CCOC3=O,WECGNVNERQMRJB-UHFFFAOYSA-N
-328C0BA0F3572C94_621A95F346DBC9B2_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3CCN(CC3C)[S](=O)(=O)C,KTFPQQZDOQMOPD-UHFFFAOYSA-N
-340E129DF16549E6_C0B12493AE2D4980_6041_DP,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCNCCOC,JOIYHSCCUGNDEB-UHFFFAOYSA-N
-349E01AF4FBB175A_F9EB63241EA74C35_6028_UN,BrC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC=C(CC)S3)(=O)=O,XSYZOGDQHQQKAM-UHFFFAOYSA-N
-359DC3B56C3AF350_0BC9EBE1CB6624FC_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CC2)C(C(OC)OC)=O,XGCIFTRTHRYEPN-UHFFFAOYSA-N
-36F2BEFDF9F8F6A6_15F750D5AF114B96_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3(C(N(C)CC3)=O)C)=O,NULZCAZCWOTPKC-UHFFFAOYSA-N
-372C8A4580EAFA15_21700E8B58100905_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,CTWPAJINPZBSGI-UHFFFAOYSA-N
-387039E31D60F599_2F7241EFFE8EDDE3_6028_UN,N(CCC1CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,ONOLAALKMGKHHJ-UHFFFAOYSA-N
-3875FEBDB1F4DA41_1A462AE867D6444A_6041_UN,CC(C)(C#N)C1=C(N=CC=N1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,ZXPQLQKEBWCDSB-PBINXNQUSA-N
-3880D768C48FCEA8_B60ADDD5E391583A_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,AFQNLRRUOKDGJG-UHFFFAOYSA-N
-38D0E1A5F621BF04_302D018F346B88FF_6029_UN,C1CN(CCN1[S](C2=CC=C(C#N)S2)(=O)=O)C3=NC5=C(C(=N3)C4=CC=CC=C4)C=CC=C5,KNOHOEHYWSZNKH-UHFFFAOYSA-N
-3D6CCD56A2B0B62C_EFFFA22533BAB0EE_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=CC=NC=C2)[N]3C4CC4)(=O)=O,AMBITFJKCLURDP-UHFFFAOYSA-N
-3E4DDEEB42A805BD_8686C86D4DDAF7FF_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=C(SC)C=C3)(=O)=O,PNBSIGXEDWERGX-UHFFFAOYSA-N
-3FB8A021B536AAEE_F1DAB733D7E22FEE_6038_UN,CN3C[C@@H](NC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CC3=O,AXCYNNCEFYPTHL-ZDUSSCGKSA-N
-40E197E4E60F9CAC_8EEDA89742021FA1_6027_UN,CC1=CC=C(C)[N]1C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,GFQBQDSUZACGBD-UHFFFAOYSA-N
-40E197E4E60F9CAC_8EEDA89742021FA1_7015_UN,CC1=CC=C(C)[N]1C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,GFQBQDSUZACGBD-UHFFFAOYSA-N
-43A6B0F6EBDD382F_F5DBB1C388AD3B1F_6038_UN,COC1=CC(=C(C=C1)OC)NC(C2N(C)C(CC2)=O)=O,DFLKVRXVDBJISK-UHFFFAOYSA-N
-444C15DAA60F7856_9DC51987E4F8C697_6041_UN,C1(=NC2=C(C=N1)C=CC=C2)NC3CCC(C[S](C)(=O)=O)CC3,UIFCFQDZOPDXDH-UHFFFAOYSA-N
-449DA4002A18C205_F03CEF127AB6BF16_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(CN3CCNCC3=O)=O,JIXQRLDPLXGTOY-UHFFFAOYSA-N
-45AAB9F5AB9D2B08_2110D73256CA7DCF_6028_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,HSLVISRZZDNKSY-UHFFFAOYSA-N
-472F0EC2785E2279_411FF33781489921_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,DLGKPXMQRXOOHS-UHFFFAOYSA-N
-47BB5579CB2E8484_76654AF5278716D9_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,OXVZBABJGZSACQ-BETUJISGSA-N
-48F1B9EF54A0401B_5AAA9DC7B14B233B_6038_UN,N(C1=C(C=C(C=C1)F)F)C(C2=CC=CC(=C2)COC)=O,QTURETKBPJBENR-UHFFFAOYSA-N
-4A5B08442FA5C06F_465B3E74D6A81EFA_6039_UN,O(C1=CC2=C(C=C1)COC2=O)CC3ON=C(C(C)C)C3,WVJVVPANCGZHQL-UHFFFAOYSA-N
-4DC255B614904E6C_95C0164264552649_6038_UN,O(C1=CC=CC=CC1=O)C(CC2=C(C=CC(=C2)C)F)=O,MKGDRJMDAYNRRN-UHFFFAOYSA-N
-4F7D675172EB0E3B_731296938BAB5755_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C3(C(OC)=O)CC3)=O,QXAPVVGMWXSTLQ-UHFFFAOYSA-N
-503BF1C61F4B796B_2860DA7D3B10F3D7_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(CC(C)O)C=CC=C3F)(=O)=O,VZNQIQNLSPLGHX-UHFFFAOYSA-N
-5212EF8421DC67A6_134EB50F63E45DBB_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,YJTFBHLLNMQXNW-UHFFFAOYSA-N
-524F57E3A94E4D97_9B08D089A8321281_6029_UN,C1C=C(CN1[S](C2=CN=C(C=C2)C#N)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,WKBBOFQWFMTVGT-UHFFFAOYSA-N
-53218A778CC1C892_2614CCE9740EA990_7013_UN,CC(C)[N]2C1=CC=CC=C1N=C2[C@@H]3CCCO[C@H]3C4=NC=C[N]4C,RHKRAXKDNDLZDJ-RHSMWYFYSA-N
-539E8129B13961AC_62545F0D7571BF2A_6028_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,NQENUELCBPUEHN-UHFFFAOYSA-N
-54A29698A0B9F877_9E4BE6DF6AB7B0D8_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC3(CCCC)CC3,BGPNGXJXTOAVKP-UHFFFAOYSA-N
-54F4C0FE63CBB4C1_C3CD231982C546A8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)N5CCCC[S]5(=O)=O,ZYDXPRDXMBIPJX-UHFFFAOYSA-N
-55BBC3760D55F847_E853733C9D9143CC_6009_DP,N1CC(=CC(F)(F)C1)C2(C)CN(C2=O)C3=CC=CC=C3,BXGVCKPOLCHJRP-UHFFFAOYSA-N
-5671FA71C045C7FB_C1A890F9093FB3D3_6029_UN,N(C1(CC1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,QTCSQUINWCRDID-UHFFFAOYSA-N
-56C9E083520519B0_DB48D8609C4B0DE2_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3C[S](CCC3)(=O)=O,LOPRNUCQRNGKKV-UHFFFAOYSA-N
-56DB6AFCC78DA74A_28212344F9411357_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)C)(=O)=O,MABABGUZKHJDPS-UHFFFAOYSA-N
-56DB6AFCC78DA74A_F39C6D5D8F74F7A2_6028_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)C)(=O)=O,MABABGUZKHJDPS-UHFFFAOYSA-N
-5722AC6A6669B5C2_6E9C19723F32DCF1_6028_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,ZNOYTLANUDMPKA-UHFFFAOYSA-N
-58F53B1AD5F3DB9D_E0310375C4DA48BD_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C4=NN=C(C3=CC=CS3)[N]4C5=CC=CC=C5)(=O)=O,WRZXWHGESOWEJD-UHFFFAOYSA-N
-59C198D4744AA288_BEE1DB2FBFE81352_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,RCHCMVRUEMMGPZ-GASCZTMLSA-N
-5A373171A49D22CF_EBA89A6BFF70FB13_6028_UN,C1CC2(C1)OC5=C(CN(C2)[S](C3=C(C=CC(=N3)C4=CC=CC=C4)C#N)(=O)=O)C=CC=C5,BFSXPQIFZAQRMW-UHFFFAOYSA-N
-5B28DA6E4BB53FEC_4CEAD150C95538B0_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,SEBCSXZDRUYWAA-UHFFFAOYSA-N
-5D8F310B425CA916_DA27339CA106D6F8_6029_UN,OC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(CO)C(=C(C=C3)Cl)F)(=O)=O,BNUILIPCGNJKJA-UHFFFAOYSA-N
-5DB90F41A971EA0A_6546BE5E1BB9301B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C(=O)CC(=O)C2=CSC=C2,PDBCOBCLBQVOLQ-QMMMGPOBSA-N
-5F01E0CE78E3029F_8CDB81CE85305FF2_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,MYFDHDZNUXVNCI-UHFFFAOYSA-N
-5F3704D008687A9C_26B3048A1DED81B9_6029_UN,C1C=C(CN1[S](C2=CSC=C2C(C)=O)(=O)=O)C3=CC=CC=C3,BGAMVNGIOPKGFI-UHFFFAOYSA-N
-5F3901A508B86F34_2273877936735F77_6038_DP,CCC1=CC(=CC(=C1)NC(CC2NCCNC2)=O)CC,AORAUAWUWZGLHR-UHFFFAOYSA-N
-5F456D5F6D4EB8BD_E5A32958DEFED056_6029_UN,FC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=C(C=C3)C)CC)(=O)=O,CPEUOXYRPJZPFH-UHFFFAOYSA-N
-61C45BB207351EF3_570B291DEDFCAE8A_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,PKZQFOLBQYCNNH-UHFFFAOYSA-N
-620678F00F9EBBCC_341E3C3B3E971D86_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CCN(C(C)=O)CC3)C)=O,XOIXHGQIVOXLLT-UHFFFAOYSA-N
-6433AB65DF3BC7EF_06FE142F4A36B0EC_6041_UN,CC4CCC1=C(SC(=N1)NC(C)C3=NC2=C(C=CC=C2)[N]3C)C4,BNBTYIPEXYNODN-UHFFFAOYSA-N
-65D8AC17340B5B52_11BD1AA5BAFBA153_6029_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,IJGPXFPCOADXJW-UHFFFAOYSA-N
-66B3B19DDDA24CDA_F43C7726C28B9EAE_6028_UN,FC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,UWPXGHQYAATHKD-UHFFFAOYSA-N
-676A501AAC72BAE7_FC674EA5E2D20968_6028_UN,ClC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC=C(CC)S3)(=O)=O,QVGCEUUKSDMSFD-UHFFFAOYSA-N
-68DAAE22E330B69B_B8CCE970F102CA13_6029_UN,N(C1(CCC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,GUCWIYBFWDIQNB-UHFFFAOYSA-N
-6B8C1B4EF43074E0_4C5BF325BF09C002_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC(C)CC4=CC=C[N]4C,MALRVPMGASCVOL-UHFFFAOYSA-N
-6D7D64030C3CFA17_71A0CBFF711DB023_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C(C(C)=O)C=C2)=O,PCDVSGNPPOEAJS-LBPRGKRZSA-N
-6D95318C2D90B3A4_07F5A5B9DAF40938_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CN=CC(=C3)C(C)Br)(=O)=O)C=CC=C4,HDCZSAHBAHFZDE-UHFFFAOYSA-N
-710D9E851363540A_25E033EF6AF7C3B0_6041_DP,CC(=O)CC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,RHNRJDJNGCWOTG-UHFFFAOYSA-N
-714D75C7F7CDF3FB_44E588AE16FAE3CE_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC(=CC=C3)N4CCC[S]4(=O)=O,NSJYTMHDHKTZQS-UHFFFAOYSA-N
-7194332FD5A9457A_868A5019F5B6F6C0_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC4=C3CN(CC)C4,ZCTJSMUJHHLORC-UHFFFAOYSA-N
-721B91B48675A567_84CBB744A0AF999A_6041_UN,CN4CCC1=C(C(=NC=N1)NC2C(C)OC3=C2C=CC=C3)C4,MSQOMMQAKKEEHF-UHFFFAOYSA-N
-733B33ADAF417C12_A0AA3060BEC15617_6041_DP,C1(=CC=C(N=C=O)O1)NCCCCC(C(NN)=O)(C)C,UWRVHEDOIGFVBJ-UHFFFAOYSA-N
-7433F41D55249434_B3A14500486DC88A_7022_DP,COC1=CC(=C(C=C1)OC2(CNC2)C3=CC=CC=C3)C,QRRYUEROSQZXRU-UHFFFAOYSA-N
-7688382CB67CAAFA_B38FFEFA069931FD_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CN=C(C=C3)C#C)(=O)=O,SLAIOLCULOESHM-UHFFFAOYSA-N
-78B0B4970E147EF7_F09898367E7D919C_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=CC(=C4)C#N)[S](C)(=O)=O,YHRNQCTVAQOIKB-UHFFFAOYSA-N
-7928C2B84BF7F63E_CEDFB0FCE0ADDC2D_6041_UN,C2(=C1C=CC=CC1=NC=N2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,JCHIJQGRNRJYKA-TXEJJXNPSA-N
-7961D0385C7543D5_59BDCAAAA36AAD7E_6041_UN,CN1CCN(CC1)C3=C(N=C2C=CC=CC2=N3)NC4=C(C=CC(=C4)C)[S](=O)(=O)C,NDNAUFNSHSOMNT-UHFFFAOYSA-N
-7B9C39324E135099_EA3F3B4C110FD1E1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(CC(OC)=O)C=CC=C2)=O,FXHLDVSROBJSAO-NSHDSACASA-N
-7C4D47820741AB73_EB591D6611D242A9_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)NC2=O)NCC(CCC)=O,ZQNNTFSAKPSRCS-UHFFFAOYSA-N
-7CF9BD60692D7FA7_A5A85FBB1ED0EDB8_7022_UN,CC1=CC(=C(C=C1)NC2CCN(C(CCC)=O)CC2)C,DXZSISIDNLKGQJ-UHFFFAOYSA-N
-7D240B2527BCBB21_71AE6F6BCE5D9EE0_6029_UN,C1CC(CCN1[S](C2=C(C)C=CC(=C2)CO)(=O)=O)C4=NC3=C(C=CC=C3)S4,PGIDRRMZPSSUHE-UHFFFAOYSA-N
-7D8152C49F5ED6AF_A75FBAFE65716536_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C(C)[N]3C4=CC=C(C=C4)C)(=O)=O,WIWLSOHGUFVDPA-UHFFFAOYSA-N
-7D82D98C3E103B52_C798AB2F77D978AE_6029_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CSC(=C3)CC)(=O)=O,STLULZWOVKOWLI-UHFFFAOYSA-N
-7DBCE00AAB14A19F_E4126AE4D7B2954D_6029_UN,FC1=C(C(=CC=C1)F)N2CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,WFSASYVUNDQGND-UHFFFAOYSA-N
-7EC203C34893AF17_BA272619315DC04C_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CN=C(C)C=C3)(=O)=O,RYWATAYZWCACQM-UHFFFAOYSA-N
-7EC203C34893AF17_C9D83D871B43EC59_6028_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CN=C(C)C=C3)(=O)=O,RYWATAYZWCACQM-UHFFFAOYSA-N
-7ED2416D38D0680C_015EA5C6751A9123_6029_UN,C1C=C(CN1[S](C3=C2C=CN=C(C2=CC=C3)C#N)(=O)=O)C4=CC=CC=C4,RSYGLVNPXJIACU-UHFFFAOYSA-N
-80F9D096DB9DCC15_E06451CE7CCEA4E6_6029_UN,N(C1(CC1)C2CCC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,PPBSRYNQZXQCCL-UHFFFAOYSA-N
-80FE42A6CB86DE97_6FCECFBC0485DC97_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C([S](C)(=O)=O)C=CC=C4,CIRLOPXKGFTTKJ-UHFFFAOYSA-N
-816B2FC68B7820D0_ACE34174478BAF6E_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CN=C(C)C=C3)(=O)=O,GABOKVOZQGGBMR-UHFFFAOYSA-N
-816B2FC68B7820D0_DF1C5AEA6D95837B_6028_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CN=C(C)C=C3)(=O)=O,GABOKVOZQGGBMR-UHFFFAOYSA-N
-81E506153227BC91_97CE527359254C63_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4[S](=O)(=O)C)C,JOERARLFTNNOCF-UHFFFAOYSA-N
-8218ECFD1C23CA6D_296FDA316DA5C27D_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=C(C#N)C=NC4=C3C=CC=C4)CC5,FZFOIVTTWIRAMC-UHFFFAOYSA-N
-836B8F1DED6EE8D3_C9B7287638AF1F60_6029_UN,BrC1CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,CZVRWNBFMIGBRJ-UHFFFAOYSA-N
-8417C7E145E1A193_85D5095C4FDDD85E_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CCN(CC3CC)[S](=O)(=O)C,SDHVOALGQCYSLQ-UHFFFAOYSA-N
-843DEF4950BCA53B_E56B3B139359E7D7_6029_UN,C1C=C(CN1[S](C2=CC(=CN=C2)C#N)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,MDNPBIDPZMVHNG-UHFFFAOYSA-N
-845DB6AE4D366967_4ECC8374AA69D7F5_6038_UN,C[C@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC=N[N]2C,SVSCBJMJCYNIQP-VIFPVBQESA-N
-856D0A30210B15E7_ED888C1C151EE687_6038_UN,CC(NC(C1(COC)CC=CC1)=O)C2=NNC(=O)N2C,LNHAOJUONCNZEM-UHFFFAOYSA-N
-8671100B1119707A_CE3485ADB4867055_6028_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,OELSCHGJNAZXDG-UHFFFAOYSA-N
-893DBCF4E59BABE7_BE096850B7486D2D_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(CC)=O)C=C2)=O,ZKFIBZOCZBVNMS-NSHDSACASA-N
-89BD910C957972D3_EF519CDAAC4230CB_6029_UN,OC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(C)[N](C(=N3)C)C)(=O)=O,OCAVZWWZQBCTAX-UHFFFAOYSA-N
-89CE98788D631DDB_BA7681C71BF6C8AE_6041_UN,CC1=CC(=C(C=C1)NC2CCCN(CC(N(C)C)=O)C2=O)N=C=O,SPEOXFCJUZKHKG-UHFFFAOYSA-N
-89ECDF71ECA2D515_657381B94FDD67CE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(OC)C=C2)C)=O,XABVAXKUELFSQB-JTQLQIEISA-N
-8ADDDF7375E1D529_F0BB72B0CFCB655A_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2N[C@H]3CC(OC3)=O,IUJHIMVRIGKGDN-VIFPVBQESA-N
-8B6EC8565562150C_23F81E4DF867B8DC_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CN([S](C)(=O)=O)CCC3,NGUMTVQOLLJILP-UHFFFAOYSA-N
-8B934F9624C85D3E_76C69155D3D69FE0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(N(C)C)N=CC=C2)=O,MUFOSBMBEYNXQB-VIFPVBQESA-N
-8C3A68B16F9C61BA_F66E6BD6A72914D8_6038_UN,CN2C[C@H](NC(CCCC1=CC=C(CC)C=C1)=O)CC2=O,AMNAIBKBDOIFHN-OAHLLOKOSA-N
-8ECE6B43BC5A3B05_85E27384ED8065B2_6029_UN,N(C1(CC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,JEEVNZVNCBESSJ-UHFFFAOYSA-N
-9032C9A22225DB94_C261762C16D852C8_6028_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC(=CS3)C)(=O)=O,YSLOKLIZELWRGS-UHFFFAOYSA-N
-916EA6457D64F72F_B1371DDD2DB74157_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=NN=C[N]3C4CC4)=O,MKEISRPTLJXTAU-UHFFFAOYSA-N
-92F5F18F2CF4F018_FF1C7964064997D5_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)=O)CC3)F,ZYDJWDOQJPYOGT-UHFFFAOYSA-N
-968B80BE28164A71_1715692D2A498587_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=C(C)[N]3C4=CC=CC=C4)(=O)=O,GORGVQVMFSXDSM-UHFFFAOYSA-N
-97163B0169D7A13B_74AFE0FE9659F23F_6038_DP,N2CCCC(NC(CC1=C(CC)C=CC=C1CC)=O)C2,BRZZMFWGODYIQI-UHFFFAOYSA-N
-9AC9794941346989_3AE90B657BB988DD_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC=C(SC)C=C3)(=O)=O,IRKNRGZBKZCFLF-UHFFFAOYSA-N
-9CED43800F8C1741_F21FCF1719EF596D_6029_UN,OC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)CCl)(=O)=O,LLKRRQQZWQXVOP-UHFFFAOYSA-N
-9D6390EEA604CA19_A24CC38E937A5A5B_6028_UN,FC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC=C(CC)S3)(=O)=O,FAKJHSGKOZBIFV-UHFFFAOYSA-N
-9D6390EEA604CA19_B5B976A3836DB200_6029_UN,FC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC=C(CC)S3)(=O)=O,FAKJHSGKOZBIFV-UHFFFAOYSA-N
-A06607B35AAC2945_80888F8ABE65CCFE_6041_UN,CCC2=C(C(=C1C=CC=CC1=N2)NC3CC[Si](C)(CC3)C)C,ACDBFVZWEVSGOD-UHFFFAOYSA-N
-A0834F13BD723628_DB0432AB2E7F2EAF_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)CCN3CCN(C)CC3)Cl,GSRUDJWQJQTARA-UHFFFAOYSA-N
-A0CB787BAB74DB2F_A76EEA3F0642BF37_6038_DP,CC1(C)OC(=O)C2=C1C=CC(=C2)NC(C4ON=C(C3CNC3)C4)=O,SAZMVRPBAFXAJO-UHFFFAOYSA-N
-A0FFCD0823E52AE9_6E894FF82BC435FE_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3([S](CC)(=O)=O)CC3,ZBHQCBTURVUWIB-UHFFFAOYSA-N
-A33ECA3F19FC8F1C_15F4DBA017401CCD_6029_UN,ClC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,BDAKVOAOLZPQKR-UHFFFAOYSA-N
-A3CBFE84309AE1B2_27B1DDC47CFAF0A8_6029_UN,CC3=CC[C@H](N[S](C1=C(C=CC=C1)C2=CSC=N2)(=O)=O)CC3,HJGISFMDWHKFGE-ZDUSSCGKSA-N
-A54CF1B7ABE1BDF5_19AB96DF646DBF97_6028_UN,C1CC(=CCN1[S](C2=C(C=CC=C2)C#N)(=O)=O)C3=NC=CS3,XTMLAKBBCRTDDN-UHFFFAOYSA-N
-A54CF1B7ABE1BDF5_4EEA00AD5C2C1A1A_6029_UN,C1CC(=CCN1[S](C2=C(C=CC=C2)C#N)(=O)=O)C3=NC=CS3,XTMLAKBBCRTDDN-UHFFFAOYSA-N
-A64E78AEC4E4D169_4CB9B005BCBDB320_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(OC)C=C(C=C2)C)=O,GOGCIDKQIDBEHS-JTQLQIEISA-N
-A6A103790D967D04_78D8EB54266051E6_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC3C(OC)COCC3,ZLOMULSJXZLZRB-UHFFFAOYSA-N
-A8189B1B401EA410_D84D0204A9FF0256_6041_UN,C[N]1N=NC2=C1C(=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,YJSWGBBTASPJNP-BXUZGUMPSA-N
-A853E6C4CEDB1596_4BE387BAD7351900_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)NCCCC(C)=O,NQZVOHQXHSGXOZ-UHFFFAOYSA-N
-A95B0981D5F36EE8_9A399347C41B8A10_6041_UN,C1(=NC(=CC=C1)C2=NC=CC=N2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,WQLQIOJRSLBDRU-UHFFFAOYSA-N
-AB8FD40DE94AB45C_0530E1303279F813_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CS)C(=O)O,UFFQZWVAUAFRRT-SECBINFHSA-N
-AE775D78ED8A1E96_A70EAEF6C989EAF1_7019_UN,C(C2[N]1C=CN=C1CCC2)=CC3=C(C)[N](C4=C3C=C(C=C4)C)C,FKPYKQOQMQZWFN-UHFFFAOYSA-N
-AE8891C08AC88960_22B7C5C2960492A9_6029_DP,OC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,QZAIPCWSVGLRLX-UHFFFAOYSA-N
-B10C0849C8BF9A79_7F0E568450EA8165_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCCC3C[S](CC3)(=O)=O,LMNQDFNGJIQPRA-UHFFFAOYSA-N
-B146B683CCA669D6_E833F5793D8A2986_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,AXCZODFWBNCQCU-UHFFFAOYSA-N
-B56883D21E316B1F_13E85A913DD794BB_6029_UN,C1C=C(CN1[S](C2=CC(=NC=C2)C#N)(=O)=O)C3=CC=CC=C3,BGBKFIDBJBUOOW-UHFFFAOYSA-N
-B5E025D8E5BF4768_4FE063014D88D683_6029_UN,C2CC1=C(N=CC=N1)CN2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,AUSDPBPLMKWFCT-UHFFFAOYSA-N
-B60E22073185BD54_3C06692492575686_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(OC)C=C2)C)=O,LJLWCFUEQQQZFN-NSHDSACASA-N
-B99D005523D265D2_0E9CE715D7CA7159_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCCN3CC[S](CC3)(=O)=O,ONGXRMJFAOGTFM-UHFFFAOYSA-N
-BC4C94F12B7881E2_BEBF47D501136510_6038_DP,N2CCC(CNC(C=CC1=CC=C(CC)C=C1)=O)CC2,NZWLRCPVDMGILI-UHFFFAOYSA-N
-BCF95E844E0C622B_34CEEB0DE84AFFB8_6041_UN,CC(C)C1=NC(=NC(=N1)NC3=C(C)C=C2OCOC2=C3)N(C)C,UZEDPYSRBKFPFU-UHFFFAOYSA-N
-BD1E8BADD0898D8C_390AEA431623CE79_6038_UN,CC1=NN=N[N]1C2=C(C=CC(=C2)NC(C3(C(OC)=O)CC3)=O)C,DAJZJKMMDCEDDK-UHFFFAOYSA-N
-BDA86B2994D4FAEF_397B099ED91336A7_6041_UN,C1(=CC=C(C=C1)N2C(=O)C=CC2=O)NC3C[C@@H](OC)[C@H](C3)OC,KAXSCVGCWZWUAF-LQDVMPOASA-N
-BE032B118A01ACCF_872F5C98D8F33DC4_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3ON=C(C)C3)=O,OGSLMBQNJUNHFB-LSLKUGRBSA-N
-BE9B651911A044C7_947B3EA9A3AF85DF_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=N3)C)(=O)=O,XAKRZYVPLGZZJB-UHFFFAOYSA-N
-BED06C1186E66C92_3BC4E29DA099649A_6028_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CS3)C)(=O)=O,YEPGPDSMCLRYJR-UHFFFAOYSA-N
-BED30D0EB37B7112_FEDEAAEFB947B1F6_6041_UN,C1(=CC(=CC=C1)N2C(=O)C=CC2=O)NC(COC)C#C,PCXZPBHGJWKOGS-UHFFFAOYSA-N
-C0360C99EEA08D5F_0912962706C971B7_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CC)CNC3)=O,XZEGSUWOANNUFX-UHFFFAOYSA-N
-C2195D0A667437AE_48992E21D75C0B35_6041_UN,CC2=C1C(=NC=NC1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,CTNOGUZCZMWULJ-BETUJISGSA-N
-C3A010E7EB6BC34C_C9FE2B8ABE92EBFF_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3CCN(CC3CC)[S](=O)(=O)C,FMNBRXPWXDNAGK-UHFFFAOYSA-N
-C54455C64BAFB8AF_46C4A779729D15F3_6034_UN,CC1=NN=C(N1CC2NCCN(C)C2)C3=C(C=CC=C3)Br,VKRLPZFSFYSNDJ-UHFFFAOYSA-N
-C634BECA22F144E3_C59682EE20160D6B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=CC=C(OC)C=C2)=O,WBPFIWDWOSGAHP-LBPRGKRZSA-N
-C6438412F22A9BC6_3A88AA4B2AAACD78_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,OWLGQFGLBWVGHX-UHFFFAOYSA-N
-C881129C1CA2E69A_3934AF01A6B2C41A_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)=O)C=C2)C)=O,ZZUAAGRYNNDNON-GFCCVEGCSA-N
-C90452217A75F16E_3D7B209EDD1A20C1_6041_UN,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)NC3CCC(OC)CC3,HQOSGEDDOJGVLQ-UHFFFAOYSA-N
-CC7CDF8EEFF95E64_F17805C8C8AE3E06_6041_UN,C1(=NN=C2COCC[N]12)NC(C)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C)C,JZIYNPYRXSUBOD-UHFFFAOYSA-N
-CCA83564FC6AA952_7675105EE111DFF1_6028_UN,N(C1CC(C1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,VFMBTMSQYCKGNK-UHFFFAOYSA-N
-D00467A915BEB751_339465C0DD0BA364_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)P(Cl)Cl)(=O)=O,XSWXPYICAOGVRC-UHFFFAOYSA-N
-D1846066E9075C5B_10CEB2F3831B6650_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3(C(N(OC)C)=O)CC3,WBUJCKINGCJJON-UHFFFAOYSA-N
-D1BCDA3456527B4E_212C4798002976A0_6038_DP,CCC(=O)C1=CC(=CC=C1)NC(CN2CCNCC2=O)=O,KWKWILZWSYSBCT-UHFFFAOYSA-N
-D2795CD0BA536148_7361372D9C3D3EC0_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](N(OC)C)(=O)=O)C=C4,FXENNSRWHUBMEH-UHFFFAOYSA-N
-D386887445609DB5_85ACE4EC7545C414_6029_UN,OC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)Cl)(=O)=O,FKCAHENDGVBGRJ-UHFFFAOYSA-N
-D39BB89E61A8D18A_0CAFDB5132401FD5_6041_UN,C1(=CC(=CC=C1)N2C(=O)C=CC2=O)NC3C[C@@H](OC)[C@H](C3)OC,WTOPDRFSCBHHQD-LQDVMPOASA-N
-D5DFF259B055BA9B_44239E56C33B56CD_6041_UN,COC(=O)C1=CN=C(S1)NC2=CC(=CC=C2)N3CCOC3=O,VBFTUDRUJHUBNR-UHFFFAOYSA-N
-D7F71ABA25522DCA_670B6A02CCDC9A49_6029_UN,FC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,WSBGQEZCBDPHTQ-UHFFFAOYSA-N
-D882D8C5DC301382_0FA0FFF6089C25D0_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4([S](C)(=O)=O)CCC4,AUNVBYOATSFDIN-UHFFFAOYSA-N
-D8AB00CFDF6C5A1C_A7FB0111FE3E5E66_6028_UN,N(CCC1=CCCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,KQBXVADXTJPAHG-UHFFFAOYSA-N
-DA79F33C2EABDFFD_37941472097FC377_6038_UN,CC(C)C1=NN=N[N]1C2=C(C=C(C=C2)NC(C3N=CN(C)C3)=O)C,RIZAZAUNFKJPPC-UHFFFAOYSA-N
-DBDBB6749D7DDE20_4BAFEC318A3F489C_6029_UN,FC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,XWBVHDILBODGOY-AWEZNQCLSA-N
-DD7C815F8E774D4A_8086227E0B3A7511_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CS)C(=O)O,UFFQZWVAUAFRRT-UHFFFAOYSA-N
-DF61A925DF23128C_A72E0BDA36FFAA73_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CCN([S](C)(=O)=O)CC3,GLQHPPVWVITMLU-UHFFFAOYSA-N
-E0A7CBA7CEC7BD72_13F5E7BCF6311B49_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(CO)C=CC=C3,DHTQNGXZFQQSDW-UHFFFAOYSA-N
-E2495ADFCDC63C16_59DFB8E887C4922A_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C(C)OC3=C2C=CC(=C3)F,TYDJXWHYZKBGHI-UHFFFAOYSA-N
-E345F4A0E0FB7201_CF7478E84AF74198_6041_DP,CC(=O)C1=C(C(=CC=N1)NC2CNC3=C(C2)C=CC=C3)C,SHZGUWGTOLMWED-UHFFFAOYSA-N
-E5DA737D7894EF54_DA26F3B33F7969C8_6031_UN,O(C(=O)C1=CC(=CC=C1)N2CCNC2=O)CC3ON=C(C)C3,HFDPYAQBSLAPGK-UHFFFAOYSA-N
-E616E19596A39659_B1F055DEB5DA166C_7009_UN,N([S](=O)(=O)C1=CSC=C1)C(=O)C2=C(CCCC2)C3=CC=CC=C3,YGHGPUHMHBCSFC-UHFFFAOYSA-N
-E6C1C5DEF5E83760_9BF2FC43313C8A9A_6028_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CS3)C)(=O)=O,TWMCHIGYWDNMID-UHFFFAOYSA-N
-E7188A67FA637808_C27D9D527743C03D_6029_DP,N2C[C@@H](N[S](C1=CC=C(OC)C=C1)(=O)=O)[C@@H](C2)C3=CC=CC=C3,NQYBVKSYNPDZEA-DLBZAZTESA-N
-E75EAD3A2A615F7A_91760636A2BDBCF6_6038_UN,CN3CCC(OC(=O)C1=CSC(=N1)C2=CC=CS2)C3=O,LPXFUZXWBFSRBP-UHFFFAOYSA-N
-E803073CEC0B6C48_CACE50CF62D416ED_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CCN([S](C)(=O)=O)CC4,PAFHUKIWUOSGKT-UHFFFAOYSA-N
-E89A763EEF1B7C0B_A5E7E2C6545C5E91_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NCC3CN([S](C)(=O)=O)C3,ORESOPJWTDOKCH-UHFFFAOYSA-N
-EB15DD5F297CFDBD_542FC40F18671B78_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,OWTUSBDRPAVMJW-UHFFFAOYSA-N
-EB32F2FFD43E4A50_17F4659B5F55BDA9_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3CCC(COC)CC3,OAKJTZAPBOQEHA-UHFFFAOYSA-N
-EB6CAD8F90127041_2FA6CE67A0589D61_6029_UN,FC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,YIHLDJHDHMJMIM-UHFFFAOYSA-N
-ECB393DC26B856B1_2ED78321D8B664D8_6029_UN,CC3=CC[C@H](N[S](C1=CC=C(C=C1)C2=CSC=N2)(=O)=O)CC3,XXNSJJJQHNANPR-AWEZNQCLSA-N
-ED2E71B357440A91_451B205A641B3A4A_6039_DP,N3C[C@@H](OCC(NC2=C(C(C)=O)C=C1OCOC1=C2)=O)CC3=O,QIMOUDSCPZSMOE-VIFPVBQESA-N
-EEA13F4C717BC542_EE6B45D291D4A9C2_6041_UN,CC1CC(=O)C2=C1C(=CC=C2)NC3=C(CC)C=CC=C3,YEYSQBBEQZSXRT-UHFFFAOYSA-N
-EEBE8BD846847641_1A2222D2E6970122_6009_UN,C1(=CC(=O)NC1=O)C3C(N(C2=CC=CC(=C2)OC)C(C3)=O)=O,JMCPORCQNDDVSO-UHFFFAOYSA-N
-EF0075DBB5B2F336_E37FAD88A7D847F2_6027_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,IQGMEHWJEFCXKD-UHFFFAOYSA-N
-EF4E7D57B7377324_8EE53271C4862C8B_6029_UN,OC(C1CCN(CC1)[S](C2=C(CO)C=CC(=N2)F)(=O)=O)C3=CC=CC=C3,RGQIPZMPPGCCCY-UHFFFAOYSA-N
-EFAC5E54202DD754_68C5F9507E883B68_6028_UN,CC2CCC(CN[S](C1=CC=C(COC)C=C1)(=O)=O)CC2,KUPPAOMRDPLODK-UHFFFAOYSA-N
-EFDDC4FF8798C227_7DCEABCD2152E491_6004_UN,C2(=C1C(CCNC1=CC=C2)=O)C3=CC(=C(C=C3)Cl)COC,HNWJUMJXEDTEIN-UHFFFAOYSA-N
-F01F60006004809B_1D340DA05E10308D_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(CO)C(=C(C=C3)Cl)F)(=O)=O,JMHGMXDFQMWCKJ-UHFFFAOYSA-N
-F169F3AC8EC0D9D4_A2D2E4C1A69786EE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(C)=O)C=C2)=O,ZGNMSSDDVBMPRH-NSHDSACASA-N
-F21D8F43E41D385C_71FCE1B6A571B61C_6029_UN,FC1CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,BGMLOCXVLXGONH-UHFFFAOYSA-N
-F2756C27ED785825_3F7D9347249BCD92_6041_UN,FC1=C(N=CC(=C1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,LHJPALPWCDZRNR-UHFFFAOYSA-N
-F2ECC0DD02D7ED4A_F2E45A5EF3B0DE62_6041_UN,CC(=O)C1=CSC(=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,UFAYMSCLOPSWFB-GFCCVEGCSA-N
-F7ED30552808842F_DC9DEF811E25E4A1_7022_DP,CC1=CC(=C(C=C1)C2=CC=CC=C2)NC3=CC=C(CO)C=C3,YDYOICKZYGTKJF-UHFFFAOYSA-N
-FC1EF4655543B00D_FB274455A51D9310_6029_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3)C)(=O)=O,PBBVUQKQUORJQF-UHFFFAOYSA-N
-FD0DE0635CA9D3BF_7E52498660617CFC_6003_UN,O(C1CNC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,UHDDVXCNNLMTCP-UHFFFAOYSA-N
-FD251AF13E6EDE7F_518519D847AD6B90_6029_UN,C1CC(CCN1[S](C2=C(CC)C=CC=C2F)(=O)=O)C3=CSC=C3,NAMYQJYSYBTUAE-UHFFFAOYSA-N
-FD441233F1C0EEDD_80E286C6D9FA7541_6038_UN,CN2CC(NC(CC1=CC=C(CCCC)C=C1)=O)CCC2=O,RKZYMLFIAXLLLR-UHFFFAOYSA-N
-FD7BC577CC123294_D9C2F0A85FFAD83E_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCC(C)=O,CXDKCKORJIWYBU-UHFFFAOYSA-N
-FE1823460FAB1562_34900CD76AE635B4_6041_UN,CC1=CC(=C(C=C1)NCC2CN(CCC)C(C2)=O)N=C=O,GNNAMPQBNUMIHH-UHFFFAOYSA-N
-FEA031A00707A9F0_AA5FB352A55683ED_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,KTHRMOVOPXDDOK-UHFFFAOYSA-N
-00626099A2AD7C6B_D8166EE6242987E6_6028_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,WCBMNLPUPJPHPA-UHFFFAOYSA-N
-018706D43BF22C82_B079BB01DC32CD35_6038_UN,CC1=C(C(=CC=N1)OC(=O)C2=CC=CN3C2=NCC3)[N](=O)=O,GPCORAJCUDLBLB-UHFFFAOYSA-N
-07CCA196055E2034_F2D4554CD241823E_6038_UN,N(C1=CC=C(C=C1)OC2CC(=O)N2)C([C@H](COC)C)=O,XRYZRWFJFWEOGQ-LLTODGECSA-N
-080C25A556ECB098_F7596CC71F0179B8_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=N2)C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,YMQKGYMWRNJNRL-UHFFFAOYSA-N
-0A5C0FFAE971D330_AC515D7B45BC9353_6038_UN,O(C1=CC(=C(C=C1)[N](=O)=O)F)C(=O)C2=CC=CN3C2=NCC3,CRVHJJLEGPQORB-UHFFFAOYSA-N
-0FC59147FF41F733_EF81519BFF31BCE8_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,FWVFMIVOSCDEEN-UHFFFAOYSA-N
-0FDB95E69AC2D2C4_5C7C3CA010390412_6029_UN,COC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,LPLYJZZNWPKOLB-UHFFFAOYSA-N
-0FDB95E69AC2D2C4_EFF44C3C726B4EF4_6028_UN,COC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,LPLYJZZNWPKOLB-UHFFFAOYSA-N
-15D681646E54B875_DC55985E6C79CCB4_6027_UN,COC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,KKZNVRHRTYKCHO-UHFFFAOYSA-N
-15FE5B5F6BAA4571_4181B448BC599086_7019_UN,CC3=C(C=CC1=C(F)C(=CC=C1)OC2CC2)C(=O)OC3=O,HURBRXVVMGXFSI-UHFFFAOYSA-N
-1877BFEC6F042BDE_CC458DB465B42AE8_6038_DP,N(C1=CC(=O)NC(=O)C1)C(C=CC2=CC=C(C(O)=O)O2)=O,CNNXACCUTJEIKR-UHFFFAOYSA-N
-2502DFAF13824303_68EFCF9160CB4756_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,AYWPFBBCCVNFCD-UHFFFAOYSA-N
-25FB1639796C58E2_C7CD03AACDFEE968_6029_UN,C1CN(CCN1[S](C3=CC(=C(C2=NN=C(C)O2)C=C3)F)(=O)=O)C5=C4C=CSC4=CC=N5,QOSMGLDRVIGHOL-UHFFFAOYSA-N
-2699E8C953BC89A8_FDB853FD245F1120_6038_UN,N(C1=CC(=CC=C1)OC2CC(=O)N2)C([C@H](COC)C)=O,SFRGDXJIWJLZIN-LLTODGECSA-N
-28BF99322C2F1740_96F1831ED05934E4_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=CC(=C3)C(OC)=O)F)(=O)=O,CDDCMKCPVYKSEW-UHFFFAOYSA-N
-29F1074307BE8F30_623F0CB4321D6FB3_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,KBMRVTCSJCGMKB-UHFFFAOYSA-N
-2AA2F7FD0C8F1F69_CA87C8C215CC5AD1_6028_UN,COC1=CC2=C(C=C1)OCCN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,NGNWNCITMGEXCO-UHFFFAOYSA-N
-2AEF20B471A8C7E6_E94A473B310EFBBD_7015_UN,CC2=C1CN(CCC1=CC=C2Cl)[S](C3=CC(=CC(=C3)C)C)(=O)=O,QVWPXFDGUAWDAC-UHFFFAOYSA-N
-35B5A78D7D49B3EC_76CF7F42CB27CFEF_6028_UN,COC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,UFBXNYJCZSAGEC-UHFFFAOYSA-N
-35F070C8829E085A_307E60C9AC5248B1_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NC=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,QFNCPTVALIUDCK-UHFFFAOYSA-N
-38A48AC200EAF5AE_D583F46944F9B7D8_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,KLCBKOOYKRNSRK-UHFFFAOYSA-N
-3C509168712F9DCC_E447CCFBAD398B61_6003_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C3=CC=CC=C3C(NO)=N,MSPSOKVOHRFATO-UHFFFAOYSA-N
-3D9B7F5F9C4CC4BD_AB7F88321FE219D6_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,KLNGBAAPBSOSAM-UHFFFAOYSA-N
-402ECEEFF5598BA6_C3A7FEDE734E8F15_6028_UN,BrC1=CCN(CC1)[S](C2=CC=C(OCCOC)C=C2)(=O)=O,LXHSRYKEFRPMJS-UHFFFAOYSA-N
-411A83A52DD7F781_D7F613943F8CCA32_6003_UN,O(C1=CC=CC=CC1=O)C3=CC=C(C(NC2=CC=C(C(O)=O)C=C2)=O)C=C3,UFHWOSKZAFZYFJ-UHFFFAOYSA-N
-4462E1891190CEDF_FDD2F14859D7E219_6038_UN,N(C1=CC=C(C=C1)OC2CC(=O)N2)C(C(COC)C)=O,XRYZRWFJFWEOGQ-UHFFFAOYSA-N
-4BAB67960255E674_4817E5C9EE7045FC_6028_UN,BrC2=C1CCN(CC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,USGCFAJKSQRFTO-UHFFFAOYSA-N
-501A7ADF277BBCB3_E91098882E402F58_6028_UN,ClC2=C1CCN(CC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,HMLBLYVNXQDMRH-UHFFFAOYSA-N
-517042278B514595_67019BA7E27512BD_6038_UN,N(C1=C(C=C(C=C1)C2=N[NH]C=N2)F)C(CC(CCCCC)C)=O,JUASQKKOHPVYCH-UHFFFAOYSA-N
-51C43DBF1B34CE6B_24ED75159E0CED57_6038_UN,N(C1=CC=C(C=C1)C2=NC(=N[NH]2)C3CC3)C([C@H](OC)C)=O,BHBDAYZWMGZLPJ-SECBINFHSA-N
-57244437DFEAF598_92D56DB30A86EEE8_6029_UN,CC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,GNGDZLIZTLGAGK-UHFFFAOYSA-N
-5A2745671C095087_F2BEF7F9AFC97107_6038_UN,N(C1=CC(=CC=C1)OC2CC(=O)N2)C(C(COC)C)=O,SFRGDXJIWJLZIN-UHFFFAOYSA-N
-5C6FEC038A25A6E6_657095092CA6910F_6038_UN,COC1=C(C(=CC(=C1)NC(=O)C2=NNC(=O)CC2)OC)OC,MAVQIBQVGCGBCB-UHFFFAOYSA-N
-5FBFC5F191027FDC_3D020A4336BE0B9F_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,NNOBOSNCXYAQJQ-UHFFFAOYSA-N
-61350D7BE8CFC05F_469C03AE1889F2D1_6035_UN,O(CC1NC(=O)NC1=O)C2=C(C(OC)=O)C=CC(=C2)OC,FZDBAZGCVWNEID-UHFFFAOYSA-N
-632AF9C75ED641AD_8EA72A3A1B03D479_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,FOMQFRLBRNGLKO-UHFFFAOYSA-N
-6500E6695A3F5FA6_69C51AB4745D476E_6028_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC=CC(=C3)C)(=O)=O,ASPSSIGEXNYLGH-UHFFFAOYSA-N
-6A2287701C13A1A3_27AF05E114D45918_7015_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C3=C(CC)C=CC=C3)(=O)=O,ZZYZMEOZSGNTNN-UHFFFAOYSA-N
-6C5E0D77897DFCF0_822A790F01316915_6035_UN,O(CC1NC(=O)NC1=O)C2=CC(=C(C(OC)=O)C=C2)OC,NRGMRWDHQZROPI-UHFFFAOYSA-N
-6D192502CF5D1C4E_F5571BD63286E321_6038_UN,COC1=C(C=C(C(=C1)NC(=O)C2=NNC(=O)CC2)C(=O)N)OC,WDCXXCSLNVMADH-UHFFFAOYSA-N
-6D653BB0CC6DDE33_75E473C1DBEDBD41_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CN=C(OC)C=C3)(=O)=O,TTZBMLBRCXBHCU-UHFFFAOYSA-N
-720B3609C5AAFAFC_418072418330137E_6039_UN,CC3=CN1C(=NCC(C1)OCC2=C(C=C([N](=O)=O)C=C2)F)C=C3,ANNLNTHHXGHBFZ-UHFFFAOYSA-N
-72715B45A2FDBA49_07C99A0FA9F1085C_6035_UN,O(C[C@@H]1CNC(=O)N1)C2=C(C(OC)=O)C=CC=C2OC,BANBICNHJMVMIA-QMMMGPOBSA-N
-728A90F51D38D48B_AA1D9E32061FCE29_6029_UN,ClC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CSC(=C3)CC)(=O)=O,QINOPDODDSMPNL-UHFFFAOYSA-N
-73CA74EEA8D241D5_35DD0C8EE24BAC7F_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=C(OC)C=C3)(=O)=O,MKSXOCJBKWZABX-UHFFFAOYSA-N
-75FF50D956D684BC_9546AD396DC51A6E_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=C(C(C)(C)C)C=CN=C3)(=O)=O,FZWKLZJIRVIYKH-UHFFFAOYSA-N
-76E7CE959078C047_F589ED981671AC0D_6041_UN,C1(=CN=C(C=C1)C2(CC(=O)C2)C#N)NCCN3CCN=C3CC,WZYYQLGEILIAKH-UHFFFAOYSA-N
-770C434ECEFE2E63_DAFB4C7405645721_6028_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3Cl)C)(=O)=O,LUZVTURCMPTZET-UHFFFAOYSA-N
-7BEAF62703BB9B18_BA6DE1392E5EFDCA_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(C=CS3)C4CC4)(=O)=O,VHLJXPAMLSIYCW-UHFFFAOYSA-N
-7C4C72B97E705C25_059ED70E5865AAAB_6029_UN,CC1=C(C=CC=C1)C2CCN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,IZSTWRIJVZGRHK-UHFFFAOYSA-N
-8198AB9F7BEDB10C_277E8F5FF4C06692_6027_UN,CC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PRQKWFMJSTZOGS-UHFFFAOYSA-N
-83130A53BE0B3E0D_0A7E6E6D2A9E8C57_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3F)C)(=O)=O,NDUUOWQMAMOWQY-UHFFFAOYSA-N
-83F3AC43C8446817_BD3BCB631FE9ED5F_6034_UN,COC2=C(C=C1N(C(C=CC1=C2)=O)C[C@@H]3CNC(=O)N3)OC,MDXYBZSNIVWVBB-JTQLQIEISA-N
-881D0FFC58FC48A8_8F447DB5B812A364_6038_UN,COC1=C(C(=CN=C1)OC)NC(=O)C2C=CC=CC=C2,OMRRKSQQFQEYIE-UHFFFAOYSA-N
-8DB17D76FBF2C8F8_DDFB0CC04FE16B16_6038_UN,CC(NC([C@H](C)[N]1C=NN=N1)=O)CC2=C(C=C(C=C2)N(C)C)C,WCCJJKKWBALXTO-ABLWVSNPSA-N
-92CD6819B841F7E4_E0C934684F87C64E_6029_UN,C1C(CN1[S](C2=CC(=C(OC)C=C2C)C)(=O)=O)C3=CC=CC=C3,DNBSFXOTCNEROQ-UHFFFAOYSA-N
-973AD85231F2EB68_85EE0BE1C851EDF7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC(COC)C#C,ZLEOAQCQMMNNMU-UHFFFAOYSA-N
-9CDD38AC77C7E65B_7BC3BDDAA122FD72_6029_UN,C1CN(CCN1[S](C2=CC(=C(N=C2)C#N)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,AMEYOIBEIVGQKH-UHFFFAOYSA-N
-9D80BB79119911EF_9CA890D0BD764DA8_6028_UN,CC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,IFXWJQQCMPTAAV-UHFFFAOYSA-N
-A054126E69E4E4E8_70110642FAD63F78_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,JGAVAJUKDRIHNO-UHFFFAOYSA-N
-A30137DE2615DDE8_AC64552BC5B6FDC8_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(OC)C=CC=C3C(=O)O,LJSBMBZXGIEROP-UHFFFAOYSA-N
-A3C6568FD158E491_8C8DA37CD7ECFC93_6029_UN,C3=CC1=C(C=CC(=C1)C2=CC=CC=C2)[N]3[S](C4=NN=C([NH]4)C5CCC5)(=O)=O,OOWGDYANHKPYMI-UHFFFAOYSA-N
-A58470156D74EB26_8CA705CE227FF018_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC[C@H](C(OC)=O)C,ZDVDBBZNRWRCRT-SECBINFHSA-N
-AC717A2F62A6CEF9_F236E94A9FC06CB3_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CC=C(CCOC)C=C3)(=O)=O,WSLHWCNMGFLRIL-UHFFFAOYSA-N
-AC8D5D18525863C1_138BA3FAE879231E_6035_UN,O(CC1NC(=O)NC1=O)C2=C(CC(OC)=O)C=CC(=C2)OC,LFCKKNQENXRLDG-UHFFFAOYSA-N
-AD52A73C87DEBE55_929DFACD2026AA81_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,NPJQURXGHYDRKN-UHFFFAOYSA-N
-AEA3F104ED07EE56_7B7FBD9D4DDFCC02_6003_UN,CC3=C(OC1=CC=CC=C1C(NC2=C(C(O)=O)C=CC=C2)=O)COC3=O,GQIRHXPTJDDRLD-UHFFFAOYSA-N
-AEFB740CA100FDD9_F43D6879C25C67AE_6028_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CC=C(COC)C=C3)(=O)=O,DZWCZUUDUTUJDX-UHFFFAOYSA-N
-B0EBB0A3AFAC3C76_765C7F25BA628C67_6003_DP,N1CC(=CC1=O)OC2=CC=C([S](CC(OC)=O)=O)C=C2,RFRMFYFTMYUHOP-UHFFFAOYSA-N
-B2AFE21FD23AF835_D1CD99C84DB12C1E_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC=CC(=N3)C)(=O)=O,GSZDLKHHHYVMSD-UHFFFAOYSA-N
-B2C0ED5297531137_2E67C5646A2B70E2_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC=C(CO)C=C3)(=O)=O,WNEHQQQOGNFQHM-UHFFFAOYSA-N
-B671EF09564EA7B4_E00E3385854BDD97_6035_UN,CC(OC1=C(C(CC)=O)C=CC(=C1)F)CN2CCNC2=O,SZSNWLXTQPLOIV-UHFFFAOYSA-N
-B9CCBA84BB9456A7_82098BC6CF21C286_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,STRFGZULWMVASG-UHFFFAOYSA-N
-BA73C44139576E57_7AD523A25CD1C5EC_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C(C)(C)C)C=CN=C3)(=O)=O,DIAPCPANKLCDCR-UHFFFAOYSA-N
-BC333A56A9E6F112_26775176C7E379B2_6029_UN,FC1=CCCN(C1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,HFQWBQUIWKLLGM-UHFFFAOYSA-N
-BE55C7B040AA8F27_F1196523662A731D_6027_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,KCVBODXTADJJBJ-UHFFFAOYSA-N
-C346435AC99AF6A7_21957AA3445F62C8_6038_UN,N(C1=CC(=CC=C1)C2=NC(=N[NH]2)C3CC3)C([C@H](OC)C)=O,LYXBYAPOHQSVKA-SECBINFHSA-N
-C367B081F5C5148E_771AF12E607D3302_6027_UN,COC2=C1CN(CC1=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,MQAZIWXTWIAEIP-UHFFFAOYSA-N
-C4B1ACC193ECA5EA_2E1C494A572862ED_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,OMQUZUZIFXFNLR-UHFFFAOYSA-N
-C54CD0136A2ADDE1_198B76378C3059E3_6028_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,UWTMHAXLNQAMEW-UHFFFAOYSA-N
-C54CD0136A2ADDE1_A4FDD1AFE25F9D7F_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,UWTMHAXLNQAMEW-UHFFFAOYSA-N
-C67F0BEC8565E5E3_12465344A9204D28_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,UCXIAELNVUBQBV-UHFFFAOYSA-N
-CA6555AA6A20D17A_37895DD1B52716F1_6038_UN,N(C1=CC=C(C=C1)C2=NC(=N[NH]2)C3CC3)C([C@@H](OC)C)=O,BHBDAYZWMGZLPJ-VIFPVBQESA-N
-CF64CE5B1505A249_F68A0B7712A390AE_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C5=NN=C(N4CCC(C)CC4)[N]5C6CC6)(=O)=O,ZBRDJPYYMSGQSI-UHFFFAOYSA-N
-CFE693AA200AE74F_BFA2CB652D168C77_6028_UN,FC2=C1CCN(CC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,QOGQMBPOOAWYQP-UHFFFAOYSA-N
-D214AAA248E41800_8E85FBC08C5E3329_6039_UN,CC3=CN1C(=NCC(C1)OCC2=C([N](=O)=O)C=CC=C2F)C=C3,HRIWDQQWIGKSAH-UHFFFAOYSA-N
-D58E19787A419B0D_18C911204F54624A_6028_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC=CC(=C3)C)(=O)=O,HVSGLUQUUUXDJX-UHFFFAOYSA-N
-D67A13E31A278220_C0A4243017E29AD5_6028_UN,COC2=C1CN(CC1=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,SVNFUOTWSFSATJ-UHFFFAOYSA-N
-D77922BE42535A1E_EAB236DF51D37FC7_6035_UN,O(CC1CNC(=O)O1)C2=C(C(OC)=O)C=CC(=C2)OC,XXLRGVWUSLNBCN-UHFFFAOYSA-N
-D7A851064D4AD715_3AB4B4A587DDA91F_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=C(CO)C=CC=C3)(=O)=O,RFUSZDFAGSXOGR-UHFFFAOYSA-N
-D875F913BE8AF62F_6BDCFADC3995E1B6_6027_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C3=C(CC)C=CC=C3)(=O)=O,IOEGXJRVAPIAIY-UHFFFAOYSA-N
-D875F913BE8AF62F_6BDCFADC3995E1B6_7015_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C3=C(CC)C=CC=C3)(=O)=O,IOEGXJRVAPIAIY-UHFFFAOYSA-N
-D9F299A5CFDC9AB7_1BD826203A21C0DD_6038_UN,COC1=CC(=C(C=C1)[C@H](C)NC(=O)C2=NNC(=O)CC2)OC,WFCGMBAPJXVSHT-VIFPVBQESA-N
-DB2B98CCF3E5A79E_C420CA3F43FA2E99_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=C(CO)C=CC(=C3)Cl)(=O)=O,VSTFJNQGXBOJCN-UHFFFAOYSA-N
-DE6969E51C121C15_66F42E3E2653E48B_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C([N](=O)=O)C(=C2)OC(F)F)C=C3,QCTVEZGYBDWNOB-UHFFFAOYSA-N
-DF1912A56AF41777_0DB393A4AF51D9DB_6029_UN,C3=CC1=C(C=CC(=C1)C2=CC=CC=C2)[N]3[S](C4=NC(=N[NH]4)C5CC5)(=O)=O,FMZLPPHGSOTQJJ-UHFFFAOYSA-N
-E0B9E79D5B2B46D0_27662B6EB5D9EDA3_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,TUNKHYPLSVYCCV-UHFFFAOYSA-N
-E1E1A6294D885CDF_CFC454F3E5F3C57F_6027_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UVVLDGIUHLLDMG-UHFFFAOYSA-N
-E1E1A6294D885CDF_CFC454F3E5F3C57F_7015_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UVVLDGIUHLLDMG-UHFFFAOYSA-N
-E1E1A6294D885CDF_F2BE03DEAD30A795_6029_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UVVLDGIUHLLDMG-UHFFFAOYSA-N
-E314F890124119C2_68D02FA28B3A9075_6038_UN,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3CC3)C([C@H](OC)C)=O,DHZGOEFNQMRSJD-SECBINFHSA-N
-E57C5DA9527CF2C4_364BEB89E65C2F50_6029_UN,CC1=CC(=CC=C1)C2CCN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,KHHJDYSPMKQNTQ-UHFFFAOYSA-N
-E6D6F6695CFD991B_CAB4E200CF53919B_6036_UN,C1(CN(C1)C2=NC(=CC=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,YTFRQHKNTTZAHK-UHFFFAOYSA-N
-E93FAABC76B64465_45F3A8D41ECD5EF7_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(CC)C=CN=C3)(=O)=O,ONGFWDWLLPPLAE-UHFFFAOYSA-N
-EFFBC71D6310104B_C16D8F64449695DA_6027_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DCBJFKSMUMJEGV-UHFFFAOYSA-N
-EFFBC71D6310104B_C16D8F64449695DA_7015_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DCBJFKSMUMJEGV-UHFFFAOYSA-N
-F4765E4AF1B5399A_502BABE9E80DFF74_6029_UN,CC1=CCCN(C1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,PXWSIPQLUBCFEE-UHFFFAOYSA-N
-F4E1F93C69F4C1BA_BA16F758D8028957_6039_UN,CC3=CN1C(=NCC(C1)OCC2=C([N](=O)=O)C=CC(=C2)F)C=C3,IARVUIQFNIRWOF-UHFFFAOYSA-N
-F5CED4949DA10F63_E59554C714D81F93_6029_DP,N1N(CC=CC1)[S](C2=CC=C(C(OC)(C)C)C=C2)(=O)=O,KPKBETFJLBXTBY-UHFFFAOYSA-N
-F645CF5C291230CF_07B2BBC70EA177B3_6038_UN,N(C1CC(NC(C1)=O)=O)C(C2=C(C=C(N(C)C)C=C2)F)=O,IDECITGLUCCBJB-UHFFFAOYSA-N
-F6D00464CE28BA7C_0EA5E883612CC1A5_6038_UN,CC[C@H](NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)COC,PODFRIQMTXXEHR-JTQLQIEISA-N
-F7E06F3838F30EB6_8C86BB816A5EDB75_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CO)C=CC=C3)(=O)=O,ZHZLIXUTKSCSSH-UHFFFAOYSA-N
-FB0DBDF45D899CEF_99F0A78720915C03_6038_UN,COC1=C(C(=C(C=C1)CNC(=O)C2=NNC(=O)CC2)OC)OC,AGEKORMYLCYKRW-UHFFFAOYSA-N
-FBCD53ACF7A6972C_5ECB74E93D936DEE_6038_UN,N(C1=C(C=CC(=C1)C2=N[NH]C=N2)F)C(CC(CCCCCC)C)=O,JTNCDILRDAVVFR-UHFFFAOYSA-N
-FEFF54119E38B2B6_F67E54CB82DE5E39_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,AHIAXRKBSBPGCH-UHFFFAOYSA-N
-FF79B21A7F38F3CE_F191B020C7E6D9B5_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C3=C(CO)C=CC(=C3)F)(=O)=O,RRCPYHXFVILYRR-UHFFFAOYSA-N
-00B7ED932C384C25_C20C3A8580E4758E_6029_UN,CC1CN(CCN1[S](C2=CC(=C(C=C2)[N]3C=CC=N3)Cl)(=O)=O)C4=NC=NC(=C4)N(C)C,IZPUNXJWHXZESW-UHFFFAOYSA-N
-02FA5AFA7FDA68CD_870B6C990AC9A574_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)[N]3N=CC=C3C)(=O)=O)C4=NC=NC(=C4)N(C)C,DHSJHBWACQIQFK-UHFFFAOYSA-N
-034A81E1538F861F_456CD9E3B85F000B_6029_UN,CC1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C4=NC=NC(=C4)N(C)C,MITFIZRLCTZSMR-UHFFFAOYSA-N
-078EF80FB7C59EFC_28FDF4A7295A6F68_6038_UN,CC(NC(C2=C(N(C)C1=NC=N[N]1C2)C)=O)CC3=C(C=C(C=C3)N(C)C)C,UJPRHCRXSYCXRH-UHFFFAOYSA-N
-08D8FB1AA549EAF1_03604EF1400B1717_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2N=CC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,YUCNOYALXMHBRR-UHFFFAOYSA-N
-0C7B87B2DD35045D_57F7D3313678C184_6034_UN,CC(C)N1N=C(C)N(C1=O)CC(C(C2=NC=C[N]2C)N)(C)C,ZUULHOYOZHJBDF-UHFFFAOYSA-N
-0C999C5BD4C9361B_D2E7C62D38A57D76_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H](C(N(OC)C)=O)C)N(C)C,LLTGEBQYLGUUFJ-VIFPVBQESA-N
-0CD2585B19A8F76E_B2AC3B3C9D6A03A0_6029_UN,C1CN(CCN1[S](C2=CC3=C(C(=C2)I)N=CC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,CZMXEEWPRJEHTB-UHFFFAOYSA-N
-116CC28E715331D5_D89BCC22B293E78C_6029_UN,CC1CN(CCN1[S](C3=C2OCOC2=CC(=C3)F)(=O)=O)C4=NC=NC(=C4)N(C)C,NDWJSQAZLSTTTD-UHFFFAOYSA-N
-13CDC2FE1C651F59_8CA4697D51FA38A0_6028_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=CC=C(C=C4)C)(=O)=O,QFGRVEKGSMXYOO-UHFFFAOYSA-N
-14D0D4393A2B822F_F12D52C545656445_6038_UN,C[C@H](OC(CC1=NC=C(OC)C=C1)=O)CC(=O)N(C)C,YNYXTFNDTXRLEE-JTQLQIEISA-N
-15EB2458762A3860_9F1E28B3DB2FC872_6031_UN,O(C(=O)C[N]1C=NC(=N1)[N](=O)=O)CC2(C(OC)=O)CC=CC2,VXTZVRQACFQJAK-UHFFFAOYSA-N
-170B10B604F24091_3A97B48B39CDF3EB_6038_UN,C[C@H](OC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CC2=CC3=C(C=C2)OCO3,JNDIFGVXYPAMBP-NSHDSACASA-N
-1BBBC3F78182D6F2_FCDD708BDD57518F_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NN=C(C)C=C2)(=O)=O,CSHHNLCTPBIPIT-UHFFFAOYSA-N
-1E4B3BC72F8F3820_1E68F97055E9F276_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(F)C=CC=N2)(=O)=O,WTIYQTIEDBXVHB-UHFFFAOYSA-N
-1E62390D1A955CA5_EDF03B8BC68DF7C4_6043_UN,CCN1CCN(CC1)C2=CC(=CN=C2)N([S](C3=CN=C(Cl)C=C3)(=O)=O)C4CC4,HRMRIUYWYNYEGC-UHFFFAOYSA-N
-1E9DA94F8864B62A_12F41708C8963714_6038_UN,N(C1=C(C=CC=C1)OC2CC(=O)N2)C(CCC(N(C)C)=O)=O,NTMUHKSXYCKBJZ-UHFFFAOYSA-N
-1EA2578FD89C1978_FF0F7EF8E42990DC_6029_UN,C1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,RIAZJWXNPCQPDU-UHFFFAOYSA-N
-201349E11BF792B4_117C2ABB131ADC03_6035_UN,CC1=C(C=CC=C1)C(OC2=C(C[S](C)(=O)=O)C=CC=C2)C3CCNCC3,AEXPCZPEDHEUHO-UHFFFAOYSA-N
-2C3BCE21A4594578_7441B5968E1CC3AF_6031_UN,NC(CB(O)O)C(=O)OCC(C(C1=NC=C[N]1C)N)(C)C,WEYGBOPMHGETCD-UHFFFAOYSA-N
-2CFBEDDC2DD18E10_68B6BD68282E2906_6003_DP,N1CC(=CC1=O)OC2=CC=CC=C2C(NC3=C(C(O)=O)C=CC=C3)=O,MKUIYWARQQALJL-UHFFFAOYSA-N
-2D25FF1BB6465DC4_F46ED62BA451A688_7017_UN,N5([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=NC(=CS3)C4=CC=C(N)C=C4)CC5,CHZPEOAMOSOHAL-UHFFFAOYSA-N
-2FC9B405FE83E8C4_CA40A36026E5D8D8_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)Br)C#N)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,XKOCYDSNIDJMRD-UHFFFAOYSA-N
-3351B6641BEED7AC_22574852850488F2_6038_UN,CC1=C(C3=C(C=C1)[C@@H](OC(C2=C[N](CC(N(C)C)=O)N=N2)=O)CCO3)C,UTYDDUAOPAYIPC-HNNXBMFYSA-N
-350E7ED81F465B03_511FFC218E2AA1D4_6043_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)N[S](C3=CC(=C(OC)C=C3)O)(=O)=O,QLJXJLBKIKPWFS-UHFFFAOYSA-N
-38302E515D711723_94A9149B93E75569_6038_UN,CC(C)C1=CC(=C(C=C1)OC(=O)C2=CSC(=N2)C3=N[N](N=C3)C4=CC=CC=C4)B(O)O,CQNPCRQDVFCWDX-UHFFFAOYSA-N
-397A9B7507A8339D_71C4EDEBF90C37E7_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=N2)Cl)(=O)=O)C3=NC=NC(=C3)N(C)C,DEPYEPQTKZQXJK-UHFFFAOYSA-N
-39C12BBEE3CF8A87_5775E2F941356159_6029_UN,ClC1=CC2=C(C=C1)N(CCN2[S](C3=CC=CC(=C3)C4=C[N](C)N=C4)(=O)=O)C5CC5,LGZINGWIZIIFID-UHFFFAOYSA-N
-39D81D713BF6BD89_D6A0F0990C4664D4_6026_UN,ClC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,FRTRICKREIKAPO-UHFFFAOYSA-N
-3A5ADDD25CF1E5D2_EA4EDAC396060C19_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,PQWQBBPXCCOIFR-UHFFFAOYSA-N
-3AF401B84A160863_0BB7DD13C4144989_6038_UN,CC(C)C(CNC(C1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,UIKYPLOXUGFTOD-UHFFFAOYSA-N
-3EFA89D566197A14_4B05FE7A6887301F_6029_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O,ZFCRHMNUTDEGHQ-UHFFFAOYSA-N
-3EFB51F0A556AEF5_BCB93E52CFB68C52_6038_UN,CCC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CC3=C(C=C2)OCO3,OFXHKULUAIVZSL-UHFFFAOYSA-N
-3F3D22A003AFBFD2_8135244A5F6BB21F_6038_UN,N(C1=C(C=CC=C1)C2=C[NH]N=C2)C(C(NO)CC3=CC=CC=C3)=O,XYFWTNTWFORAQQ-UHFFFAOYSA-N
-42D2316FAF6ED9FC_22EC7C3112C325EB_6039_UN,CC2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)COC2=O,SJSJPOJESSFRJH-UHFFFAOYSA-N
-43988935755B4DE0_FB531F0ADF82EC39_6038_UN,CC(C)C(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=CC=C3,HRMQZVYJXTWRFG-UHFFFAOYSA-N
-43B192BAC13B7739_AA4DE62EBD900B21_6029_UN,C1CN(CCN1[S](C2=CC=CC3=C(O)C(=CN=C23)Cl)(=O)=O)C4=NC(=CS4)C5=CC=CS5,ZOFDMHUOSIDLDL-UHFFFAOYSA-N
-44FBA3415D0EA9F3_AAE938FFC9052390_6038_UN,CC(C)OC1=C(C=CC=N1)OC(C[N]2C=C(C(N(C)C)=O)N=N2)=O,YARPFWVEISKLOR-UHFFFAOYSA-N
-46D25EE7559C1D95_C383FBAC3D68D077_6038_UN,C[C@H](COC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC3=C(C=C2)OCO3,JIWJSTFOGIBEKC-LLVKDONJSA-N
-4716F85EEF6F72A4_A00C1C81252AC4A6_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC(=C(OC)C=C2)C(=O)C3=CC=CC=C3,UXLTXEHEZZQWDH-UHFFFAOYSA-N
-47F862D948C48257_6B9E5E9BF67A3C52_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,IFMATEPFMLVAFK-UHFFFAOYSA-N
-49ED494DB5C193F6_E7E766CE6E098B1F_6038_UN,N(CC1ON=C(C1)C(=O)N)C(=O)C[N]2C=C(C=N2)[N](=O)=O,LPRLHQYOBYMFKH-UHFFFAOYSA-N
-4AB9833230344E1E_E096D6B4A89F2AF1_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=CC3=C2N=CC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,QKSDESLJXCDLRG-UHFFFAOYSA-N
-4C28A0A6D102DFFC_611B2BF27E18646B_6038_UN,COC1=C(C=CC(=C1)N3CCC(OC(C(C)(C)[N]2C=NN=N2)=O)CC3)[N](=O)=O,KTZQVIXJICAPDF-UHFFFAOYSA-N
-4DBDD7622FB4A44C_31257CC47732C0EF_6039_DP,N1CC(=CC1=O)OCC(NNC(C2=CC=C([N](=O)=O)C=C2)=O)=O,VYZXNKNMARWKDL-UHFFFAOYSA-N
-4E42D4315D1F41EB_B25B05CF3CEF9B21_6029_UN,C1CN(CCN1[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O)C4=NSC5=C4C=CC=C5,LTSRVRGGNDWAJU-UHFFFAOYSA-N
-4E76FBBEE80B5205_E548E077063DBB28_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F)[NH]4,NGABJFAOCAKMPP-UHFFFAOYSA-N
-4F2BCFA17D5364DC_E0C8402986CDFD48_6038_UN,CC(C)C(NC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)C3=N[NH]N=N3,USRNZUHETORBKO-UHFFFAOYSA-N
-5294E2CDECA1CAB0_EC80875845EF8BE2_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)CC(=O)O,YJCTVDSHCURGFE-UHFFFAOYSA-N
-56C30F0E7C23E950_BD2864C9EE9FF362_6041_UN,CC(C)C1=NC(=NC(=N1)NCC(=O)C2=C3C(=CC=C2)OCCO3)N(C)C,YOVMZRYTQFDPIO-UHFFFAOYSA-N
-5A6A8D765282EFB6_059E7B0502EC1C30_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CC=C(C#N)C=C3)C4CC4,SJQYLFUKHICORZ-UHFFFAOYSA-N
-5C9B67A39FCCF5D4_6B1712418B749165_6043_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)N[S](C3=CC(=C(OC)C=C3)O)(=O)=O,JVJHMTJXYJIYDJ-UHFFFAOYSA-N
-5CFD577BA7590439_5C000AF2A1C09420_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C4=CC=C(OC3=NC=C(C)C=C3)C=C4)(=O)=O,BJEOFZVAHLPBDG-UHFFFAOYSA-N
-5D972B668063ED25_8BB0A451BA8A3260_6034_UN,O=[N](=O)C1=CC(=CN1CCCNC(=C2N=CC=CC2=O)O)Br,QTBZRAVZLBSMLO-UHFFFAOYSA-N
-60E73474958FEE61_9B2CE1E53BFC011C_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=C(C=NC(=N2)C)F)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,SSUXZSANRNYJCA-UHFFFAOYSA-N
-60E752805D6384F4_3F52D3F959A5DB8F_6003_UN,CNC(=O)C1=CC=C(C=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,CPDJLGFUOMOQAT-UHFFFAOYSA-N
-67B458542860355F_55A859845E17CDC9_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)C4(CC4)C#N)(=O)=O,NISXSGDGECGTCU-UHFFFAOYSA-N
-69176F84967D4CB4_55238949B0B2817F_6038_UN,CCC(C)OC1=NC=CC(=C1)CNC(C[N]2C=C(C(N(C)C)=O)N=N2)=O,OUOMLFUEWHKYMJ-UHFFFAOYSA-N
-69672D289CCAB5DF_C2EE2FDAE039D295_6029_UN,CC1CN(CCN1[S](C2=C(C=CC(=N2)C)Cl)(=O)=O)C3=NC=NC(=C3)N(C)C,QNXLMYAMIGEARX-UHFFFAOYSA-N
-697E55121E28318D_211DBCE44AEEC5EF_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,PIFDKEMVIAWDBV-UHFFFAOYSA-N
-6B51C31D42E98981_1F5F4F852305EAAC_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C#N)CC4,SPIUHKVMAFDLNH-UHFFFAOYSA-N
-6BAAA5767491EFB1_A38573334558FCF5_6029_UN,C1C(CN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=NC(=NC=C4)C5=NC=CC=N5,GYTLVMRKIWVNPG-UHFFFAOYSA-N
-6CFF41C333A56A67_B308C67F4A9E8290_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)CC4=NC=CC=C4,BTJICDBLIQPYQH-UHFFFAOYSA-N
-6F4BB069EC7C4EEA_030395E144B05ACB_6029_DP,CC1CN(CCN1[S](C3=CC2=C([NH]N=C2)C(=C3)F)(=O)=O)C4=NC=NC(=C4)N(C)C,SVODWHTUHUNJKO-UHFFFAOYSA-N
-743C083B3C7E891A_5438DC165B2EA3FC_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC=C(C=C3)OC4=NC=CC=N4)(=O)=O,XESVZYHLXKPSOZ-UHFFFAOYSA-N
-7620E7D2321B1BE5_F42C3656C5BF42A7_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)C3=NC=CC(=N3)Cl)(=O)=O)C4=NC=NC(=C4)N(C)C,PEZOEVSOIOWEFF-UHFFFAOYSA-N
-7659D15E64BDCDF9_0EA6DA8E9D7B76E3_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C=CN=C3)C4=CN=CC=C4)(=O)=O)C,FBJYMEMRXZCKBI-UHFFFAOYSA-N
-76D05AE90CD1486A_4224C6B396C96C89_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(Cl)C=C(N=C2)C#N)(=O)=O,YUNGCXJISCIBIX-UHFFFAOYSA-N
-7A41793F51C7BFD1_DA04D6752FC18D00_6029_UN,N(CC1=CC=C(C=C1)CC#N)[S](C2=C(C)C=CC=N2)(=O)=O,MSCCFLXGALTBAT-UHFFFAOYSA-N
-7DE6DEA9AD167DAF_95633EE375D4B3E1_6027_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,BDZOREZEJHCBRC-UHFFFAOYSA-N
-7DE6DEA9AD167DAF_95633EE375D4B3E1_7015_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,BDZOREZEJHCBRC-UHFFFAOYSA-N
-814C9E519F497652_D9249CB5E9AC28A1_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,GBAJJTQCVOVPHF-UHFFFAOYSA-N
-814E70025CA4C98F_1A685282D1112040_6036_UN,CC(C1=CC=C(C=C1)[N]2C=NC=N2)N(C)[S](=O)(=O)C3=C(C=CC=C3)N4CCNCC4,OXBRXGRFXSHZDP-UHFFFAOYSA-N
-83A43E262A3D221F_D4AEFA8D7F76665C_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,QZJMOVDORIAMEF-UHFFFAOYSA-N
-83CA01046518732C_7798F20793B30CC4_7005_UN,N3=C(C1=CC=CC(=C1)C2([S](C)(=O)=O)CC2)[NH]C4=CC(=CC=C34)C5=CC=NC=C5,NAPLZKQTZXUGTQ-UHFFFAOYSA-N
-8503916335781FF4_9EABCBBF9886E8CA_7015_UN,CC1CCC(CC1)N(C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,DDOUYKXAMXMLRI-UHFFFAOYSA-N
-85248FB355E03FC3_184DF7045BDF97FF_6038_UN,CC(NC(=O)C1(CC1)[N]2C=NN=N2)CC3=C(C=C(C=C3)N(C)C)C,PQVGKYIRBJPWLQ-UHFFFAOYSA-N
-8576D665D62C2369_CB49C2919671E764_6038_UN,CC(NC(C1=CN=C(N(C)C)C=N1)=O)CN2C(OCC2)=O,OFFOUZDXLMARAG-UHFFFAOYSA-N
-88D3B865972F703C_DD38DAA66D883306_6038_UN,NC(=O)C1=NC=C(C=C1)NC(C2(C)COC(=O)OC2)=O,UDQQASMBFUOKFC-UHFFFAOYSA-N
-8F8327E8A5F7C600_AF1813335E46709B_6028_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,NCDYJQIMNUSGMH-AWEZNQCLSA-N
-90A6EBE3478ADE1A_8496E18A7F9109C7_6029_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,UEDBJDORUAZDJK-UHFFFAOYSA-N
-91053EB97CAB0B60_792ACFF46B3AF9F8_6029_UN,CC1CN(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=NC=NC(=C4)N(C)C,PUSGPHIUSGKNJP-UHFFFAOYSA-N
-91F4FD5757749C0F_A198DA348FACABC0_6029_UN,CC1CN(CCN1[S](C3=C2C=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NC=NC(=C4)N(C)C,GEZFCAXAYZIPPA-UHFFFAOYSA-N
-93CF422915184EBD_110A9FE8433C5C15_6038_UN,N(C1=C(C=CC=C1)[N]2C=NN=N2)C(C3(C(N(C)C)=O)CC3)=O,NYXKTFGVWTTYQH-UHFFFAOYSA-N
-96D09BC422A0B875_E5EAD97E3C61FEF4_6038_UN,C[C@@H](OC(C1=NN=C(N(C)C)C=C1)=O)CC(=O)N(C)C,MYSLDGFYLJVZGW-SECBINFHSA-N
-9755A05ACA2F9E13_A026ED53329553B0_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3(C(N(C(C)C)C)=O)CC3)=O,OXWAIQLKMBBQHF-UHFFFAOYSA-N
-97931C20FCA6FDB2_16F732E1061318DB_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N5CCC(=C3C2=C(C=C(Cl)C=C2)CCC4=C3N=CC=C4)CC5)[N]6C=NN=N6,BMKINJPSLREZGG-UHFFFAOYSA-N
-9B2733906FD450FD_5B0CDBB47223CB91_6029_UN,CC1CN(CCN1[S](C2=CC3=C(N=C2)C(=CC=N3)I)(=O)=O)C4=NC=NC(=C4)N(C)C,NYXMPIWFELGQDG-UHFFFAOYSA-N
-9F2D4F91B6A14C4A_8509D639147AC09E_6029_UN,BrC1=CCN(CC1)[S](C2=C(OCCCC)C=CC=C2)(=O)=O,VAXJDEOPGWGTQW-UHFFFAOYSA-N
-A0CA20E929BC36C8_2E2E8AE11E51FDC8_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,RENDCLZXLQSQSS-UHFFFAOYSA-N
-A166C34B58F39E1B_BF0AF487BD5E6304_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3=NN=C(Cl)C=C3)(=O)=O)C5=C4SC=CC4=NC=N5,CQCSQNMGFABVLE-UHFFFAOYSA-N
-AA4066D2187A61C6_E799265B16A2C5E2_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=C(C)C=CC=C4)(=O)=O,RRXOSAOKZFRITD-UHFFFAOYSA-N
-ADCDD6642665D6E4_32D67418508ED717_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)C4=NC=CC=C4,XSNSPAYZQLUQKS-UHFFFAOYSA-N
-AF176E4F0484242B_D6290DE92BE0F242_6038_UN,CC(C)C(NC(C1=CC=CC(=C1)CCN(C)C)=O)C2=N[NH]N=N2,JDIAXXNNVMHNRP-UHFFFAOYSA-N
-B0E07EB929B1E5F1_B99A128571E88A0F_6029_UN,C1CN(CCN1[S](C2=CC3=C(C=C2F)[NH]C(=N3)C)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,AZDQGLFKWSSZBU-UHFFFAOYSA-N
-B0F0B94087C76B2F_52B6324A36381CB4_6038_UN,CC(C)C(NC(C1=CN=C(OCCN(C)C)C=C1)=O)C2=NN=C(C)[NH]2,KJGYHGTYKSAGNU-UHFFFAOYSA-N
-B6DAC5189BCF7B5A_DA6D2D2F6E4A181E_6038_UN,CC1(ON=C(C1)CNC(C2=N[N](CCN(C)C)C=C2)=O)C,SQWJMPZMQXUJNQ-UHFFFAOYSA-N
-B6E03762971E5C18_A68063C931A8E5E4_6038_UN,CC(NC(C1(C(N(C(C)C)C)=O)CC1)=O)C2=C[NH]N=C2,FRBQAMBPZKJWIV-UHFFFAOYSA-N
-B87802A4BADC600B_A1F0F1D43035D001_6038_UN,CC(C)C(NC(C1=CC(=NC=C1)OCCN(C)C)=O)C2=NN=C(C)[NH]2,YTITYCSOMHMMPN-UHFFFAOYSA-N
-B89D900933683950_9A2B321AAFEBA1B5_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(N)C=N3)Br)CC4,AXQDCAZUNRHBNA-UHFFFAOYSA-N
-BA708476A3268356_00226B57D08FD09B_6038_UN,NC(=O)C1=C(C=CC=N1)NC(C2(C)COC(=O)OC2)=O,VJCNFYNTKKLNHA-UHFFFAOYSA-N
-BE3CB8499C0409BE_E7F887347BB65454_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@H](C(OCC(C)C)=O)C)N(C)C,PQLTWBOSUFKAOE-JTQLQIEISA-N
-BEFBBBE166EAD2EF_EE52E616625008B1_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=CC=C(C(O)=O)C=C3,JGMAUUBBOGPNKA-UHFFFAOYSA-N
-C0868C60A9619888_30D5B0B355511B13_6027_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(C)C=CC=C3)(=O)=O,NLSNHQLMKFPRTQ-UHFFFAOYSA-N
-C0868C60A9619888_30D5B0B355511B13_7015_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(C)C=CC=C3)(=O)=O,NLSNHQLMKFPRTQ-UHFFFAOYSA-N
-C0868C60A9619888_6850867CF910ABAC_6028_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(C)C=CC=C3)(=O)=O,NLSNHQLMKFPRTQ-UHFFFAOYSA-N
-C0C01603CB49C04D_1F6997A89925D4CD_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC#N)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FYPWJDLITFVDID-UHFFFAOYSA-N
-C2C8C733E7DA19AB_BFBC6BD1D6ED8287_6041_UN,CC(C)C1=NC(=NC(=N1)NC[C@@H]2OC(OC2)=O)N(C)C,DGLVJTCZYGSKQL-QMMMGPOBSA-N
-C3D7B744ADC6CC55_F420DD8B816A3C63_6038_UN,CC(NC(C2=C([N](CC1=NN=C(C)O1)N=N2)C)=O)CC3=C(C=C(C=C3)N(C)C)C,AFXNBACNSNUHFI-UHFFFAOYSA-N
-C58C778BF0A92A2D_7B5BC70B56E63F0C_6038_UN,N(CC1ON=C(C1)C2=CC3=C(C=C2)OCC3)C(CN4C(CN(C)C4=O)=O)=O,VGACAFPECGQUQE-UHFFFAOYSA-N
-C58DFC5B0E741875_68BADBF1CC175C9A_6009_UN,C1(=CC(=O)NC1=O)C(C(NC2=C([N](=O)=O)C=CC=C2)=O)C,DXDYWWHCBQIQNE-UHFFFAOYSA-N
-C6383E6461794A3E_EC1DC15394113C2B_7017_UN,N3([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCC(O)(CC3)C4=NC=C[NH]4,WOOYTEBYJHASQV-UHFFFAOYSA-N
-CAC40B579BA878E6_8198D5774F796AAB_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C2=CC(=[N](=O)C=C2)Cl)(=O)=O,SSMFWHVNVOPJSX-UHFFFAOYSA-N
-CB47CCD91ED691C0_8077FBADB337B542_6038_UN,CN(C)C1=NC(=C(C=C1)NC(C2(CN(C)C)CC2)=O)N,QGDSEFGZBCENOZ-UHFFFAOYSA-N
-CCD12C6BA39859FB_6622A322494958C7_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,GAUXMGKYAQQGLI-UHFFFAOYSA-N
-D22DF9DC79E6C8AD_38CC536CF266251E_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)C4=NC=NC(=C4)N(C)C,AEQGOOKFYFPHLD-UHFFFAOYSA-N
-D22FA478155C0E2F_9F711FE0F9D15178_6038_UN,CC(C)CC(NC(C1=CC=CC(=C1)OCC(N(C)C)=O)=O)C2=NN=N[NH]2,GROVGSVMZXFESD-UHFFFAOYSA-N
-D547F15080F95464_C066A15AE329455D_6036_UN,C(C1=CC2=C(N=C1)C(=CC=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,JJASPCVCENGGLY-UHFFFAOYSA-N
-D5AE080166B88D8D_7CD8F064D47A85E7_6038_UN,NC(=O)C1=NC=CC(=C1)NC(C2(C)COC(=O)OC2)=O,UAVAGXFVRXOASG-UHFFFAOYSA-N
-D8B59636B86AD631_D476A2146338C674_6038_UN,CC(NC(C[N]1N=NN=C1C(C)C)=O)CC2=C(C=C(C=C2)N(C)C)C,XBVPEOFQAUAKNQ-UHFFFAOYSA-N
-D8F27A0F2E6BD348_C9036B3761FE0FEE_6029_UN,OC1=NOC(=C1)C2CN(C2)[S](C3=CC=CC(=C3)[N]4C=C(C)C=N4)(=O)=O,ITHQMQYBGKXMPM-UHFFFAOYSA-N
-DBB81E8BE39F126B_D582CAE341EFE20D_6038_UN,CC(C)C(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=C[N](N=C2)C,ZRDAJOHONOMYIW-UHFFFAOYSA-N
-DEE5A218BF19428B_64D55CE1A064696E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC(=O)O)C(=O)O,ULFICTIYGRVUQJ-UHFFFAOYSA-N
-E14A6D21A1B1838A_B5BE0089F470480E_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(N(C)C)N=CC(=C3)Br,DMBRWIVNNPNIHJ-UHFFFAOYSA-N
-E2D92C19874D1423_235326271E68899A_6036_UN,C(C1=NC=C[NH]1)(C2=CC=C(C=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,PCAPCSZZUPDMDJ-UHFFFAOYSA-N
-E3E68CD716C90EFF_A7504783B47DEF4C_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O,BPFXNLBEUUTJFI-UHFFFAOYSA-N
-E503112B9B565E28_F7D26D9B5C96C35D_6029_UN,CC1CN(CCN1[S](C2=C(N=CC(=C2)C)Cl)(=O)=O)C3=NC=NC(=C3)N(C)C,QOASYUMLGCGCRB-UHFFFAOYSA-N
-E514EC7EF4C23E38_1A0045EB39642268_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=NN=C[N]3C)(=O)=O)C4=NC=NC(=C4)N(C)C,XTRHDUIPEYFQAI-UHFFFAOYSA-N
-E5C3A0A624B99E3F_ACAB869F55B4C290_6006_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)C5(O)CCC5,YFNWRNQHEBHVGZ-UHFFFAOYSA-N
-E8DBC61E5AC33830_96D60AB6472E6CFE_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,OCEXZLBXXPJAKV-UHFFFAOYSA-N
-EEC4EAA5C6856E48_B101F2635804FFFB_6038_UN,C[N]1C=C(C=N1)N4CCC(NC(C3ON=C(C2=C[N](C)N=C2)C3)=O)C4=O,PBKNPSDIYPWQNG-UHFFFAOYSA-N
-F4010EA3610E3BAE_F77E558E11502A1B_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,XNFASMYXQMGQRE-UHFFFAOYSA-N
-F57899AB52F06145_D7ED710539765236_6028_UN,FC1=CN=C(N=C1)N2CCN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,YXFUCDWNHCHINN-AWEZNQCLSA-N
-F99746D2B8560171_20FF389B844B694A_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#C)C=C3)CCC4,HBIDIEMFCVYJKT-UHFFFAOYSA-N
-FAB442AB5C826795_B3A3D6408D51C377_6028_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=NC=C[N]3C4=CC(=CC(=C4)C)C)(=O)=O,JKSWGJOCANXGKO-UHFFFAOYSA-N
-FCBD05D8D8173238_3052AC0D1C94FA4D_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC(=C2)C3=CN=NC=C3)(=O)=O)C5=C4C=CSC4=CC=N5,KIDBASBLCOFOMV-UHFFFAOYSA-N
-0191DF1DC19897D9_31529107E03AEE2C_6043_UN,ClC1=CC=C(C=C1)C2=NC(=CC=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,KFWCHRNEAIRVJF-UHFFFAOYSA-N
-01CCB63F688124B1_6163F06D8CBD6773_6029_UN,N(CCC1CC=CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,PJIKGIBTGPZAOV-UHFFFAOYSA-N
-023E46329BB26863_3C421E0320EDB573_6041_UN,OC(=O)CC1=CSC(=N1)C2=C(C=CS2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,DANSWVVWTMHFEO-UHFFFAOYSA-N
-02A1C36AE5B368FE_BBBF9502D6A54D3D_6029_UN,OC1(CCN(CC1)[S](C2=C([C@H](C)O)C=CC=C2)(=O)=O)C3=CC=C(C=C3)C4=CC=CC=C4,YWBNWLIJRJQOGO-IBGZPJMESA-N
-04B23FB48F809EA0_470B04EEEAE20138_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,SHINBPQRQITRNM-UHFFFAOYSA-N
-051781988C41A3F5_AB9739E30703C950_6038_UN,O([C@@H]1CCCC[C@H]1CC#N)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,GMOFQTHUVRWWGO-VZBRDHCBSA-N
-069A747828A93774_CD88D4A387AE440C_6038_UN,O(C[C@H]1CC[C@H](CC1)C#N)C(C23CC(C(OC)=O)(C2)C3)=O,LDIURDAAZGDWNQ-RJAIZQQDSA-N
-08AEA45FC322A8B8_4B5DCF0D6462871F_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C)CC3C4=CC=CC=C4,CPEKEXTWODXYRD-UHFFFAOYSA-N
-09F0B197D8A76F4A_D6A2E155AB5E13A4_6041_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)NC3=C(CCC3(C)C)C#N,YCUQCIXYWIQMRG-UHFFFAOYSA-N
-0AE7B35E45F937F2_777BBB3C5BE67DF7_6029_UN,N(CC1=CC(=CC=C1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,MDOULVLKCSLOGC-UHFFFAOYSA-N
-0AF7F84597150F31_6DD2852E1FC6D107_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=C(C(C3=CC=C(CC)S3)=O)C=CC=C4)=O,YAXMZXVALSQYJF-UHFFFAOYSA-N
-0BCCEC56717B9FCA_8CC462802818DA37_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=C(C)C=CC=C3S,YDMYYHWFGDTUNE-UHFFFAOYSA-N
-0BF4F82892F26138_D1B91200A045599C_6029_DP,N([C@H]1[C@@H](CCC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C[NH]3)(=O)=O,MYFKUTLMAJBGEP-UONOGXRCSA-N
-0C887ED9712861A7_577844EEEDB384B8_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=NC=C3)CC)(=O)=O,PXKQQHZYPAZSMA-UHFFFAOYSA-N
-0CDC00BD591A9748_CD40320FA38D7B9E_6038_UN,C[C@H](NC(C1=CC(=CC(=C1)[N]2N=NN=C2C)F)=O)CN(C)CCCN(C)C,VVWYPPGKEKUKAR-ZDUSSCGKSA-N
-0D7DD2F86EE529FF_E662075D9F1AA56F_6028_UN,C1C=C(CN1[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C3=CC=CC=C3,ZTYHIYHJDNQDNJ-UHFFFAOYSA-N
-0DD0293394C4F7E1_F96AA8D9461F0850_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC(C)CC(C)(C)C,UMIPDTAZTGXXDR-UHFFFAOYSA-N
-0DD19B8AD442CBD2_5FF0309ED4D98845_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)N4C(OCCC4)=O,MUFZZVHXNQUQRO-UHFFFAOYSA-N
-0F4AC4DD363E119D_169AC119D1EA021F_6029_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,CFMFRWKFJNJCHJ-UHFFFAOYSA-N
-10C5BDC64B2ADB01_07CEA57FB58FDEE2_6029_DP,N1CCN(C(C1)C2=CC(=CC=C2)F)[S](C3=C(C=CS3)C4CC4)(=O)=O,IAZHHNUCNASWIC-UHFFFAOYSA-N
-112B130A76EBE1E6_490909F80C786725_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC[C@@H]2CCO[C@@H]2C3=NC=N[NH]3)F,ZJSRWWOTYMDZPK-GWCFXTLKSA-N
-118408AC7A744365_20A9C5A342E572A4_6038_UN,CN(C)C2=NN=C(CNC(CCOC1=C(C(C)C)C=CC(=C1)C)=O)[NH]2,QQAKDJPVHYOPBF-UHFFFAOYSA-N
-1244AB1297AB5907_7B3265988D8CCCB9_6041_UN,O=[N](=O)C1=CC(=C(C=C1)N2CCCC2)NC3=CC(=C(C4=C3C=CC=N4)C)C,MMGYWLBPZYRMEU-UHFFFAOYSA-N
-132B3889CBB6735B_9B969A9DB60F8E48_6038_DP,N(C2=C1N=CC=CC1=C(C=C2)C3=CN=CC=C3)C(C(CC4CNC4)F)=O,VSOYHVHJKDATTP-UHFFFAOYSA-N
-13438F4CD2522102_B59A6D66F7165395_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)NC3CCC2=C(C=CC=C2)C3,UAVJUIPBICDFRU-UHFFFAOYSA-N
-13802C02CF7E1E1A_D4E120AD61CC6581_6038_UN,COC(=O)[C@@H]1CC[C@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,IAVRHARAVVPWKV-CFKXXBIPSA-N
-1513A34173E7AFC9_1949C37B8E9ADEDC_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,JIEJUXKKXSKCGK-UHFFFAOYSA-N
-156CA76A2ABB567C_E7606514E965980F_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCCCC(N(C)C)=O,IRMDRBSTVUOREL-UHFFFAOYSA-N
-157E7F2A36AB3AB7_9D8409983781E556_6038_UN,CCON(CC)C(=O)CNC(C1=CC=C(C(OC)=O)[NH]1)=O,XICMIUQYFLCFDB-UHFFFAOYSA-N
-1633B8B53FFDEBDC_5CB3414218F78C31_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC3=CC=CC(=C3)[S](C)(=O)=O)C4CCNCC4,UYPFLTYLZWCRGB-UHFFFAOYSA-N
-1657291146510FA9_B60E1B69218646BC_6041_UN,O=[N](=O)C2=C1C=CC=NC1=CC=C2NC3=CC4=C(C=C3)C5=C(O4)C=CC=C5,XOUVNAKOHYKLDR-UHFFFAOYSA-N
-17E31393A3CBF3E9_F759F146CF53DC2C_6029_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,VYTXMNDHNHPLMP-UHFFFAOYSA-N
-182499B5B8E9AC7F_CEB69A4C7E040965_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,SBPURUPIYCKOPK-UHFFFAOYSA-N
-187BCC14316202F1_A335B7289F4B2184_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=C(C)C=C(C=C3C)Br,NACQTMFOBXCBQQ-UHFFFAOYSA-N
-197039DC705BF83A_F789A349D5578EB4_6028_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=NC=C(C)C=C3)(=O)=O,PLJOPYLWNXIABF-UHFFFAOYSA-N
-1AA5AA3FA1D1A2E9_97F51CD9BDC85391_6038_UN,N(C1=CC(=CC=C1)N2C(=O)COCC2=O)C(=O)[CH]4C[C]3(C[CH](C3)C#N)C4,AHGPDQYSJLYQPP-UHFFFAOYSA-N
-1C641C329414D467_F139817728BD38B1_6026_UN,CC1=C(C=C(C=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,CRHUBQOQDXYBFK-UHFFFAOYSA-N
-1D2FF11E00C64A29_D282AFB75FA4B7A1_6038_UN,CN(C)C2=NN=C(CNC(COC1=C(C=CC(=C1)C(C)C)C)=O)[NH]2,BOZUHNYVGFGEBD-UHFFFAOYSA-N
-1D7DD408ADAC6B2E_238B2F8E3DAAEE4A_6041_UN,COC1=C(C=C(C=C1)NC2=CC=CC(=C2)N3C(CN(C)C3=O)=O)N4C(=O)C=CC4=O,MNSXTSOUMFUWCJ-UHFFFAOYSA-N
-1DE63306FC56FBC9_B13BFB9D824E3AF7_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C=C(C(=C2)N3CCOCC3)F)[N](=O)=O)C=CC=C4,VXUXYDFKJWWZFR-UHFFFAOYSA-N
-1E0A30A4F270BDAF_83E20E5BC6C83925_6038_UN,CC[C@H](C)[C@H](NC(C1=C(C(C)C)C=N[NH]1)=O)CN(C)C,BSQYLTQQWUKUJC-WCQYABFASA-N
-1E0C14D9072958CA_1EE27E0CDA6A555C_6041_UN,C1(=CC2=C(N=C1)NNC2=O)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,DDZYUBAPLPGOKK-UHFFFAOYSA-N
-1F1870DEAC234F9D_06E7B2F72C6C58F2_6039_UN,COC(=O)C23CC(COCCC1=NN=C(OC)S1)(C2)CO3,XDBAYRQZBABMBW-UHFFFAOYSA-N
-20A6666DEC7A78FB_EE1C6CB62280B384_6028_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,BPJAWIJUXGXCGH-UHFFFAOYSA-N
-21719DF7A1C01248_32B2826A5062574A_6031_UN,CN1CC(CCC1=O)C(=O)OC[C@H]2[C@@H](CNC2)C3CC3,YTKRLOPXDVXGFO-SPOOISQMSA-N
-23AA2F4985BE95AA_5F3886DF0CC3D0FC_6038_UN,COC(=O)[C@@H]1CC[C@@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,IAVRHARAVVPWKV-GKUGFIGPSA-N
-23BB25A7D0C268FB_F756A2533C35CA55_6029_UN,N(C1C(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,KFVPGNPZVCIYNJ-UHFFFAOYSA-N
-25A02B203140CE86_691BDC33606CBC9A_6028_UN,OB(O)C1=CN(N=C1)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O,NLMBUQNSVQGJLD-UHFFFAOYSA-N
-26CFEEE45CC4CBC1_37396232F77969CB_6041_UN,CC1=NC4=C(C(=C1)NC2=CC(=CC(=C2)N3CCCCC3)C)C=CC=C4[N](=O)=O,POTHEUZAXONUFO-UHFFFAOYSA-N
-2855840B4B917324_9C801854D8C8843C_6038_UN,O(C1CCC2CCCC1C2=O)C(CC34CC(C(OC)=O)(C3)C4)=O,HNTZQQNZNOPCGV-UHFFFAOYSA-N
-2979A3D469786BF9_2129394AFEF36B2A_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H](CC(C)C)CN(C)C,AKHCAQHBEQHFRF-LBPRGKRZSA-N
-2C318B8128D12A46_3E9B15693A6621EA_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4,KWKLAOGXWUTZQP-UHFFFAOYSA-N
-2C3D0A6ECE638656_942F9929709400ED_6029_UN,C1CN(CCN1[S](C3=C2C=C(Cl)C=C[N]2N=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,VLVPVFYEWDQHHY-UHFFFAOYSA-N
-2C803B343F81C659_E41A3A609051E00A_6038_DP,N2[C@H]1C[C@H]1C[C@H]2CNC(CC34CC(C(OC)=O)(C3)C4)=O,HVXFMHCEBBGEBA-GRMFTHDSSA-N
-2CD2A7333CB20F42_AB8D0E2BB037AAB1_6041_UN,C1(=CC(=CC=C1)N2CCCCC2=O)NC3=CC=C(CC[S](C)(=O)=O)C=C3,LRIOUZMPRZUDLQ-UHFFFAOYSA-N
-2D5C7A1CD4C86E99_A82545FC7C6BDA29_6041_UN,C1(=CC=C(C=C1)OC=C)NC34CC2CC(CC(C)(C2)C3)(C4)C,UFRBLLQDWKGYIR-UHFFFAOYSA-N
-2DC95A6F36440E71_D96F1FA90F42EC3C_6029_UN,CC1(C)CN(CCC2=C1C=CC=C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,UNJCPCKUPGVWGO-UHFFFAOYSA-N
-2E17F561FAC812B1_BFC51B3C21311E21_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=CC(=CC=C4)C5CCC5,ZXBOKANMBBOSGH-UHFFFAOYSA-N
-2E863CBE903A9D2A_B9062706EB05F073_6038_DP,CCC(C)C(OC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)OC,DTYUVKWTFIFSNR-OSOQGNGPSA-N
-2FA74FBFC6442F31_4ED1290770D7F544_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,BOAYKODAZFKKOZ-UHFFFAOYSA-N
-2FE0693E87B0BB4C_2EBEEF92E5D43300_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,VVQFFHULMBXXNZ-UHFFFAOYSA-N
-3029BE1623B31356_B4EA70DFDB3F6945_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC4=CN=C(N3CCN(C)CC3)C=C4,NBAWSLVRZDWFPW-UHFFFAOYSA-N
-30DAF62EE156B3D5_F3AD5D0DD3946BEB_6038_DP,CCOC(=O)C3=CCC(NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C3,GJNGKUOEEJVCPZ-TUOGLVOQSA-N
-3123630C7E9985D0_A0766079AE1772DF_6029_UN,C1CN(CCN1[S](C2=C(Cl)C3=C(C=C2)CCC3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,DKZWVNFNWNJQHQ-UHFFFAOYSA-N
-321E782267F77EDA_176870EE980444D6_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(F)C=C2)C#N)CC3)[N]4C=NN=N4,OKYDDRUSMGRHPD-UHFFFAOYSA-N
-32613C9558BE0139_5B09D5FC652BC935_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)C3CC3)Cl)S,RSXLEWSUMVSLRV-UHFFFAOYSA-N
-32AEC3317BB015C3_8F4A549D3A69281C_6041_UN,F[S](=O)(=O)CC1=CN=C(C=C1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,LLUAGUHGTUMOKE-UHFFFAOYSA-N
-333222985B0A3861_4849BB7890DA7BF0_6004_UN,O=[N](=O)C2=C(C=C1OC(NC1=C2)=O)C3=CC4=C(C=C3)OC5=C4C=CC=C5,ASDJXKJCFPSLBU-UHFFFAOYSA-N
-3387E25C09E9B749_E615F8A1B0B949F7_6038_DP,CCOC1=C(C=CC(=C1)NC(CN2CCNCC2=O)=O)[N](=O)=O,PTQAUIAUWIILIV-UHFFFAOYSA-N
-341249540DA7368E_D649407C54AF8A80_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC3=CN=C(N2N=C(C)CC2=O)C=C3)OC4=CC=CC=C4,NYZQLMPGSHBBPT-UHFFFAOYSA-N
-35E7019596E23C49_306FE08DF446BA45_6029_UN,OC1(CCN(CC1)[S](C2=C(C)C=CC3=C2N=CC=C3)(=O)=O)C4=CC=CC=C4,IFDJQFAJOOOLRU-UHFFFAOYSA-N
-3628477DA5CA5E64_7DB753A1644B9214_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C)C=CC(=C3)N4CCCC4,OYTWVVFFKIYLQG-UHFFFAOYSA-N
-394223536889A56D_0CC75E88547359C6_6041_UN,C2(=CC=NC3=C1N=CC=CC1=CC=C23)NCCCCCC(N4CCN(C(CC(C)C)=O)CC4)=O,LTUNVPLBZPCGSC-UHFFFAOYSA-N
-395A0A946D51D693_6DBDB87C664DE971_6031_UN,COC13CCC(CC1)(C(=O)OC[C@@H]2CCN([C@@H]2C)C)C3,GAMQJEBJTZACKI-SQHUISNBSA-N
-3A456AFA1D4F7428_9E1DE04311713246_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,UGQUSRUDQCQGDI-UHFFFAOYSA-N
-3A456AFA1D4F7428_B9C3C2A39548A02B_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,UGQUSRUDQCQGDI-UHFFFAOYSA-N
-427E13B9515AF1B9_306C8C5290E0617D_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,USFHJJCVLIADJA-UHFFFAOYSA-N
-433905F26EC3F6B6_CA857B956FD1AE73_6029_UN,N(CC1=CC=C(C=C1)N=[N]#N)[S](C2=CC=CC(=C2)[S](O)(=O)=O)(=O)=O,XXIAUHZDRRIOIL-UHFFFAOYSA-N
-43FC6C4EA859257A_5D04D0420B59402F_6038_DP,OC(=O)[C@H]1C[C@H](CC1)NC(C23CC(C(OC)=O)(C2)C3)=O,UXSYAGDHCLWIIP-CYGFXYRSSA-N
-44FE96CC971E66A5_FCDC5475B24E8D48_6029_UN,N(C1CCC(CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,URUSWUGQSYHPCL-UHFFFAOYSA-N
-45A7FA4067A7BE3C_0BC2F586FFB8DBF0_6028_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,DURLMZNATFRRCM-UHFFFAOYSA-N
-45F119CCEE66781F_E6F9E5D5E1C2BAE8_6035_DP,OC(=O)[C@@H]2C[C@H](OC1=C(C=C(CC)C=C1OC)OC)CN2,ZFDZFHJCZDFTME-QWRGUYRKSA-N
-462CC34DFC5D56FB_99E81F42DA5AF216_6041_UN,CC1=CC2=C(C=C1)N=CC=C2NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,FDRMSPGUKKOCEI-UHFFFAOYSA-N
-47C358230D242741_CA9E53AB3940A131_6028_UN,N(CC1CCC(F)C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CFWCXQWIHYDUSY-UHFFFAOYSA-N
-496ED4748E72B93C_7EBD60893CC81A88_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(Cl)C=C2)Cl)CC3)[N]4C=NN=N4,WVXKRKSJEVHXGR-UHFFFAOYSA-N
-4A258393687D7EE8_AFC927F12D68688A_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)C3CC3)F)S,GWIBFWHWLGGTNK-UHFFFAOYSA-N
-4A326271A2F28213_A1CAB9A0FC6779A4_6038_DP,COC(=O)C[C@@H]2C[C@H](NC(C(C1CCNCC1)=C)=O)C2(C)C,WOACYPCDZRXRIV-KBPBESRZSA-N
-4A4FA6E12ADB0350_89592F023C3CFCFF_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,YVZJALOVOPTRBA-DLBZAZTESA-N
-4A9B11ED48DCCD84_0764DD22E6188841_6029_UN,BrC1CCN(CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,QAVSQPYFGKVAKJ-UHFFFAOYSA-N
-4ADB8A8C5EBE9C70_387A5D8F28482B38_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,GTUINUDADRHMFI-UHFFFAOYSA-N
-4B16B8B128108118_535CEABED19BF489_6034_UN,CC1=C(C(=C(C(N1CCNC2CCCCC2)=O)C)Br)C,FMDJJAWGVWIHQX-UHFFFAOYSA-N
-4DF98DA7B6CC4CE6_C3D8211B061F47D5_6029_UN,OC(C1CCN(CC1)[S](C2=CC(=CN=C2)C#C)(=O)=O)C3=CC=CC=C3,JPVLRGKSNXCKPQ-UHFFFAOYSA-N
-4E1974E3C30506CC_AD5CE9348A184A83_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,QNNNJZLLLGVDIN-UHFFFAOYSA-N
-4ED0569D9E51031F_21AF7ACB7C0CBE8D_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=C(N(C)[S](=O)(=O)C)C=C4,YNTJWELCMVRHOX-UHFFFAOYSA-N
-4F5F1D581D6DBED6_922842FF705F93FD_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=C(C(CC)(F)F)C=C3)(=O)=O,GXAGPRBPVMQARQ-UHFFFAOYSA-N
-4FB84E8FEAA4447B_65BF5297699ADA80_6038_UN,CSCC[C@H](NC(C23CC1CC(CC(C1OC)C2)C3)=O)C(=O)NO,CGWUFZLXOJSQGK-OKAZYSBQSA-N
-503CB58A7BACE8F9_6F416001BADA02BE_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=CC(=CC=C3)C4CC4,JQAYIGPUJMLHBD-UHFFFAOYSA-N
-508DC9A9EE0E1ED5_4665DE282C2115CD_6041_UN,C1(=CC(=CC=C1)N2SC=CC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,OGYFOVZGDVEFTQ-UHFFFAOYSA-N
-521439900BE3EB87_725ECF963ABEAFB2_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,WAOZKAGYRJQALP-UHFFFAOYSA-N
-539426209097B8F8_80CF1050C46E6454_6035_UN,COCC(OC1=CC(=CC(=C1)Br)OC)C2=CC=CC=C2,RYKHMOOATHMYGH-UHFFFAOYSA-N
-5449530DF823698A_7553026794BF1CFF_6034_UN,BrC1=CC(=CC=C1)C2=CSC3=C2C(N(C=N3)CC4COC(=O)O4)=O,TURAXLMSXDXHQN-UHFFFAOYSA-N
-54D0D48100C9A78E_9623F8B2D03A00A5_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3CCCN(C(C)C)C3,HOHYRLAIOACADB-UHFFFAOYSA-N
-54FA7C1B3804DE9F_5FD66392AB3A4F98_6043_UN,ClC2=C1C=CC=C(C1=NC=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,PZIRJMXFAXODQN-UHFFFAOYSA-N
-5517E9DF21DF1C81_73AA7E4CB4E89887_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C3=CC(=CN=C3)C#C)(=O)=O,SXKGWHWEUHJCOA-UHFFFAOYSA-N
-5677D20E0B8CC379_B60A9CEDD7F6AB4C_6029_UN,OC1(CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,ONWXMMBHSODNNK-UHFFFAOYSA-N
-56C116CE13851ED4_4EBB15DE6E1DEDB3_6038_DP,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(C35CC(OC34CNC4)(C)C5)=O,NGOVHHUEQVZPDL-MJBXONPWSA-N
-57038F58990112EE_741406CEFDD43F5B_6039_UN,O(C1=CC=C(C=C1)CC2NC(=O)NC2=O)CC(N(OC)C)=O,RFHHVNBXBXGNRN-UHFFFAOYSA-N
-573200BB34F5CEB8_9993AB2C07560006_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4)=O,DBNRWOCCYXXDGI-UHFFFAOYSA-N
-57B958A6C9037F18_C0A2F164B7C04C69_6029_UN,C1N(CCC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=C([C@H](C)O)C=CN=C4)(=O)=O,RJNNXEHYYDWQRL-INIZCTEOSA-N
-595060CAC844158D_FBFED699C422FFA4_6029_UN,N(C1CCCC1C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,FGGSEQOEXPYFGY-UHFFFAOYSA-N
-5967DC299903FDDD_A624FB2AC4DA8BB8_6035_UN,CCC(COC1=CC(=CC(=C1)Br)OC)C2=CC=CC=C2,JUXIEJVSWHWERW-UHFFFAOYSA-N
-59BF7767EED565BA_B05FAB73364AF8D3_6028_UN,N(CC(F)(F)C1CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CWPDCXIPMRILKY-UHFFFAOYSA-N
-5AE109AA3A3D143F_BC7A91A18282744C_6038_UN,CC(NC(CC(N(C)C)=O)=O)C(=O)NNC(=O)C1=CC=CC=C1,KKOGKUDJCRRYQS-UHFFFAOYSA-N
-5B6A98349FB377C4_DD857DDD8C4A54A5_6029_UN,CCOC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,MSXYUDPRSNSVIU-UHFFFAOYSA-N
-5BB751377BB971F7_73146CC44B9CDFA1_6026_UN,[S](=O)(=O)(C1=CC=C(C#N)S1)N2CCC(C)(CC2)C3=CC(=CC=C3)Br,SOEIEXJGDDTYDY-UHFFFAOYSA-N
-5BDCA42BA75B1307_A0D042EB219AE141_6034_UN,BrC2=C[N]1C=CN(C(C1=C2)=O)CC45CC3(CC(CC(C)(C3)C4)C5)C,GXIACEBIOGYLKN-UHFFFAOYSA-N
-5C284A88C61E9B3E_C89F10D06CBF396D_6036_UN,CC(C1=CC(=CC=C1)[N]2C=CN=C2)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,NJOZAMJBELUCGZ-UHFFFAOYSA-N
-5C91615C7DCF029A_E64D107BE1F72763_6029_UN,OC1(CN(C1)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,XKIHEBFVALZETL-UHFFFAOYSA-N
-5DDD721C592754D4_AC1D340E4897DF9C_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC=C(C=CC)C=C2)(=O)=O,VSWCZAPWKBPZSH-UHFFFAOYSA-N
-5F575D12A85C95FE_4EC1D2FE452A27A1_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=CC(=CC=C2)C3CCC3)[NH]4,DDADSHWRGDTIBQ-UHFFFAOYSA-N
-5F68409D7ABC6132_0F475A6CB16AFBE2_6038_UN,CC(C)C(CCNC(C1=CC=C(CN(C)C)[NH]1)=O)N(C)C,AUVCWZJHQVPYKT-UHFFFAOYSA-N
-603B190B86B75C57_54CA42BDCC19016F_6041_UN,CCC1=C(C=CC(=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3)N=C=O,DWUKIDGHFGUFTR-UHFFFAOYSA-N
-606DE691E35CE14B_8DD41F086F161FF8_7018_DP,N([S](=O)(=O)C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C(O)=O)=O,RLEDXIMLEQOREZ-UHFFFAOYSA-N
-6105EEE00890BA1A_379355F609145E8A_6029_UN,CN(C1=C(C=C(C=C1)F)I)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,PHVGFPUVSDRMFK-UHFFFAOYSA-N
-62A222F45CFEC4E2_DA9A6C5B627E8ECD_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C4CCC3=C(C=CC=C3)CC4,GZUNOMRLXUVYRD-UHFFFAOYSA-N
-62FAA0CEB790FBE6_7A66BFF6754EF4B3_6029_UN,C1CC(CCN1[S](C2=C(Cl)C=CC3=C2OC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,IZNWXAZNOJKDHQ-UHFFFAOYSA-N
-644E5CBDF5ECABBA_985851EF8C2556F5_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=CC(=C4)F)[S](=O)(=O)Cl,IXUZSBLEQVRRQR-UHFFFAOYSA-N
-677FE38485D9DF3A_B5E145A2EF159A16_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCCC3=O)NC4=C(CN(CC)C(=O)C)C=CC=C4,XRBFAMLFGUUHEF-UHFFFAOYSA-N
-689587767223FA3C_597DD06E95681011_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OCC4[C@@H]3C[C@@H](C3(C)C)CC4,WLIVKFYLJSNBFT-YVZMLIKISA-N
-69475A42BF5B4023_87E238202FB88ED6_7022_UN,CC1=C(C=C(C(=C1)N([S](=O)(=O)C2=CN=CC=C2)C3CC3)Cl)C4CC4,CKZNDFDKINUWRC-UHFFFAOYSA-N
-69ED6D10BD3A630B_CA58563284CF6D41_6029_UN,N(CC1CCC(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,KFNODFKLGHRJCU-UHFFFAOYSA-N
-6B0A3CA501688E8B_10E1FC32B3EAD15B_6026_UN,FC1=C(C(=CC=N1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,VODGDKXCWPTOAS-UHFFFAOYSA-N
-6C3E237F3B069566_FEDCC6FEA2069D19_6038_DP,CC[C@H](NC([C@H]1CC[C@@H](C)NC1)=O)C(=O)OC2CCCCC2,FIYQHZWRCKDEIF-IPYPFGDCSA-N
-6D524656045B2FE3_405D3749D870FA2B_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=C(C)C=CN=C3)(=O)=O,MUJHMCIVQUINJD-LSDHHAIUSA-N
-6DA9CB493570EEB2_54A05220E4E1BB73_6038_DP,CCC(=C(N=O)C(=O)OC)OC([C@@H]1C[C@H]1C2CCNCC2)=O,VOIZEPSYZDSFIS-WDEREUQCSA-N
-6E3405A480E89D34_CE0A86AC4052DEF5_6038_UN,N(C1=CC(=C(C=C1)N2CCCCC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,JKKJDWZVNKIPIP-UHFFFAOYSA-N
-6E4628AE08511052_C092C04A59B56BC4_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=C(C=CC3=C2OCO3)F)S,QHEVDDVVJRQHSA-UHFFFAOYSA-N
-6E6775903E47E2BE_C412D81A100CA97D_6041_UN,O=[N](=O)C1=CC(=CC(=C1)NC3=CN=C(N2N=C(C)CC2=O)C=C3)C(=O)N4CCCC4,LQJHQQWQZMWLHS-UHFFFAOYSA-N
-6FB1BEDBEF02AB6B_9FCACE636F795366_6038_UN,CC(C)[N]1N=NN=C1C2=C(C=C(C=C2)NC(C(CCN(C)C)=C)=O)F,ZDWMKYLGRAIZPA-UHFFFAOYSA-N
-6FB560B48868589C_EA27555D7DC5F87A_6038_UN,O(C=C1C(CCC1)=O)C(CCC2=C(C)C3=C(NC2=O)N(NC3=O)C)=O,CDIBXNWWMCMAAF-UHFFFAOYSA-N
-71100C63ED2BC319_691199C059708B21_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)F)CC4,IZWRQJZVFAMQNK-UHFFFAOYSA-N
-714162E3283B0242_9A32BCC364ACC9F8_6029_UN,CN(C1=C(C=CC=C1Cl)Cl)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,ZOSSNMMHJONMHD-UHFFFAOYSA-N
-71918D46CADB5938_669ECA321709EA56_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C=C(C=N2)NC3=C(N=C(C)C=C3N4CCOCC4)C,KIOAHPXCKJYICI-UHFFFAOYSA-N
-72EEA44A94DF0AFC_FBF85ABD8C779D9F_7022_UN,CC1=CC(=CC(=C1)C)N[C@@H](C[P](=O)(O)O)C2=CC=CC=C2,PJEZHDKAFDYFKV-INIZCTEOSA-N
-739EC07A6C6B9100_2F7C897BE95C29CC_6029_UN,CC(C)CC1CN(C1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,RJGHLEHKZIJXHM-UHFFFAOYSA-N
-749CF1B95691FA63_6D6DF9AAFEE96DFC_6038_DP,CCOC(=O)C3=C(NC([C@H]1C[C@H]2CNC[C@@H]12)=O)CCC(C)C3,WDYUSIFQYGLLLY-PNBMMQAZSA-N
-749F77EA58214585_20155E6B69804B19_6038_UN,NC(=O)C3=CC1=C(C=CC(=C1)NC(C2=CC=CC(=C2)C[S](C)=O)=O)[NH]3,IZSLFZPELUYPMH-UHFFFAOYSA-N
-74CAD67F2C22D23F_8FC01891677FA46D_6036_UN,C1(CN(C1)C2=NC(=CC=C2)Cl)N([S](=O)(=O)C3=CC=CS3)CC4=CC=CC=C4,JZBVUERTPNDGNQ-UHFFFAOYSA-N
-7829FC465780F550_3CDCD2948BB9F00C_6038_DP,CC1=C(C=CC(=C1)NC(C(C2=CC=C(C(C(C)C)=O)C=C2)C)=O)N3CCNCC3,LNCKRRXKHREFNV-UHFFFAOYSA-N
-79B2BADFF383D8FF_A9ACBEAA53CB41AE_6038_UN,CC(OC(C2=CC=C([N]1N=NN=C1C)C=C2)=O)CCCC#C[Si](C)(C)C,LBRKSSRAHXZWJA-UHFFFAOYSA-N
-7BC1BD51D7EFC91C_3C373485480237D8_6029_UN,OC1(CCN(CC1)[S](C2=C([C@@H](C)O)C=CC=C2)(=O)=O)C3=CC=C(C=C3)C4=CC=CC=C4,YWBNWLIJRJQOGO-LJQANCHMSA-N
-7CF899B8201C61E6_A00CA326604C99BC_6034_UN,CN1C=C(C(=NO)N)C(=O)N(C1=O)CC23CC(C(OC)=O)(C2)OC3,DLPXMBOQFUBPFA-UHFFFAOYSA-N
-7D32A37D207A96B0_0F828DBB9D08376D_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(C)C=CN=C3)(=O)=O,LDLPQEVIMLTJNP-HOTGVXAUSA-N
-7E8E8EB8B985CFB7_270D797D215117DC_6041_UN,C2(=C1C(NNC1=CC=C2)=O)NC(CC(C)C)C3=CC(=CC=C3)C#N,PRUFKPWYWDXPTA-UHFFFAOYSA-N
-7EE8E19FC87CADC9_02EC78E96736A994_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,MPHOOIOOVQEHQR-UHFFFAOYSA-N
-80A2C0BEBC4EE0FF_B997C6F13CF8021A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=C(C=CC(=C3)N4CCOCC4)[N](=O)=O,PNKLWHIWNOFHRB-UHFFFAOYSA-N
-81507DB4760B89DD_FC5768262F111909_6038_DP,CCC[C@H](NC(C2CC1(CC(C)NC1)C2)=O)C(=O)OC,FWXWAAKNRWXRAY-WAQQSHLVSA-N
-82C4D4D33AD6F5B7_9E4CED261276C032_6038_UN,CC(CNC(=O)C2=C1C=CC=CC1=NC(=C2)C3=NC=CC=C3)N4CCCC4,CHZCOQWNCXGVHL-UHFFFAOYSA-N
-82EB98C9A1404D9E_FEACC77BBA8E4373_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(=O)C3(CC(=O)C3)C4=CC=CC=C4,ULSBKSXNYKMDBS-UHFFFAOYSA-N
-83725413FBF231F5_B38265B194FD8B41_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,OVITVSBQORWMLD-UHFFFAOYSA-N
-83871EA482DDE9AD_B550A328399FDAF6_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NC4CCN([S](C)(=O)=O)CC4,HPMVONQMJWZYSR-UHFFFAOYSA-N
-83A37429C74CF7D7_E28B434A30A95BF4_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=CC4=C(C=C3)C5=C(C4)C=CC=C5,ZKPJSSRIIZRNFU-UHFFFAOYSA-N
-83F615359F5E652C_BA46A898C404ED34_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)N[C@@H]2CCO[C@@H]2C3=NC=N[NH]3)F,OVCOFQVIOYVPED-SKDRFNHKSA-N
-8495ED7882E1A76B_849E7C111233140B_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC4=CN=C(C)C=C34)(=O)=O,CTKPMKITUBQCED-UHFFFAOYSA-N
-84B585EC9A2D1FDE_093F13CD9D84FC9F_6029_UN,CC1=CC(=C(C=C1)C)OC2CCN(CC2)[S](C3=CSC=C3CC)(=O)=O,DWJUPGGLZREHGI-UHFFFAOYSA-N
-86739BCA9D0E1AB1_8E840093D6E59BCB_6038_DP,COC(=O)[C@H](NC(CNC1CCNCC1)=O)C3=CCC2C(C2)C3,SETJKITYGPLDKN-IJGSQOGDSA-N
-86CF61BA1E4C437C_CE06B26207F02672_6029_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=C(CC)C=CN=C3)(=O)=O,UOCYMJNMTIROMA-UHFFFAOYSA-N
-86E6405D0577A92D_CD300A3F19607E6E_6004_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2C4=C3OC=CC3=CC=C4)Cl,IKFLIYRISNANDG-UHFFFAOYSA-N
-88CB57A7B09DFFCB_FD022A29C0270AB3_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(C(C)Br)C=CC=C3)(=O)=O,GKQRQEAFYXBHIW-UHFFFAOYSA-N
-88DB758A8AF6FEF6_494CEBD13C8F73D7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCN(C(C)=O)CC3)C=C4,KFPNJXRFRYHNQU-UHFFFAOYSA-N
-897960AA83CED88D_177676BEC8895357_6029_UN,N([C@H](C1CC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C([S](O)=O)C=C3)(=O)=O,SXLNNYDRWOIMHI-MRXNPFEDSA-N
-8A8BB2EB97867507_8197595CAB7C74A5_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3)CC4,UNWOTPFRAWYPKN-UHFFFAOYSA-N
-8CBE6402607AFB59_9E31A2F52BF8B9F2_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N4CCN(C2=CC=NC3=C2C=CC(=C3)Cl)CC4)[N]5C=NN=N5,VCESUBUUSBBOMW-UHFFFAOYSA-N
-8CEE9306BC54B884_81BB7DA85933CEB4_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=CC(=C(C=C2)[N]3C=NN=N3)F,QYCZWTGJUBAMHK-UHFFFAOYSA-N
-8CFC40B419C19F91_8054ADA578EB3D9B_6038_UN,CC(NC(C(C)[N]1N=NN=C1C(C)(C)C)=O)CC2=C(C=C(C=C2)N(C)C)C,FRPCIILOASSJHC-UHFFFAOYSA-N
-8E69B260780076E0_2ED4DC87ACA79B32_6041_UN,OC(=O)CCC3=NC1=C(C=CC(=C1)NC2=C(C=CC=C2C(=O)O)C(=O)O)S3,FLJDMKLZBJZWDG-UHFFFAOYSA-N
-8E73B69043444347_D6BAC385EF222A92_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=CC2=NC(=C[N]2C=C3)C4CC4)(=O)=O,BPHBEDKUHGQDPA-UHFFFAOYSA-N
-8EA4CE43BEEC9504_66B4D310B75B3359_6029_UN,N(C1(CC1)CCO)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,SASUXRHQSIGIHY-UHFFFAOYSA-N
-8FEA86F7CEFDEF5C_AAD667F2896F939B_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4CNNC(C4)=O)=O,MOCMZBJEXWOGQQ-UHFFFAOYSA-N
-8FEB31B9E3F05745_F1040B480A413413_6038_UN,CC(C)C(NC(C1=CN=CC(=C1)C(N(C)C)=O)=O)C2=CC3=C(C=C2)OCCCO3,XBBMVLGZBVOUTF-UHFFFAOYSA-N
-91740916E6E91C8B_2339E42A4911D308_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC(NOC)=O)N2C(=O)C=CC2=O,QTOJLAWMHJYCTC-UHFFFAOYSA-N
-91A413D48956974D_86261D037705A620_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=CC=C2)F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,ZIANDXCTSKJUKC-DLBZAZTESA-N
-91B76667341FA279_3D0669486F5DDF86_6029_UN,ClC1=CCCN(C1)[S](C2=CC=CC(=C2)OCCN(C)C)(=O)=O,BSDBUWPYJPRRIC-UHFFFAOYSA-N
-927C727C3E759F47_96BC1154AE7D23BD_6043_UN,FC1(CC1)C2=CC=C(C=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,GTWPACMIKXLGAZ-UHFFFAOYSA-N
-93103475813E1404_DA522FC8BA1D1DF1_7019_UN,CC1=CC=C(C=C1)C(NC(=O)C=CC2=C(CO)C=CC=C2)C3CC3,VSYFVGKDXKVSKM-UHFFFAOYSA-N
-94736FC8ACF67D71_DDA68A24CBFBD4EF_6029_UN,CC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,VHYKSVYGAGQZES-UHFFFAOYSA-N
-94AF0A183AC9A532_5D2C8FC5ACA82D19_6029_UN,C1CN(CCN1[S](C2=CN=C(F)C=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,RGEAJMQNWDTQBH-UHFFFAOYSA-N
-9699D7525A828F81_40512D79ECE20C4D_6029_UN,N#[N]=NCC1CN(C1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,OOTHGARFPAOCQE-UHFFFAOYSA-N
-96F8610FECA51512_5849636FF267D5D8_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=NC=NC4=C3C=N[N]4C)CC5)Cl,WVOZQXALUFQSJX-UHFFFAOYSA-N
-9865016170ED1C09_83F90E1292AB675D_6026_UN,[S](=O)(=O)(C1=CC=C(C#N)S1)N2CCC(C)(CC2)C3=CC=C(C=C3)Br,UOYQYXCVNUDWFA-UHFFFAOYSA-N
-9B858CFE8F2AF6B8_FB48EB79BCF4111E_6005_UN,CC(O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3,ITYDYEQHTMLTAE-UHFFFAOYSA-N
-9C2DA944483E62D8_0CED5D65C38880DF_6031_UN,CC1=C([NH]C2=C1C(CC(C2)(C)C)=O)C(=O)OCC3(C)CC3,OGMSZBFKXSQOMU-UHFFFAOYSA-N
-9C5452B9F76E8858_25DCC0C103F3A9F3_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=C(C=CC(=C3)C4=C[NH]N=C4C)F)=O,RLRDGRMSNJCTGL-UHFFFAOYSA-N
-9C5B137AE2E256AD_B8F5EACB581D850C_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CCN(C3=NC=C(N)C=C3)CC4,BXRYEWIYHZHSEC-UHFFFAOYSA-N
-9C98491ACDCA2AB4_461038C9A1061BF9_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C4=C3OC=CC3=CC=C4F,FYZNPXAPCPXPDY-UHFFFAOYSA-N
-9D770090F5A918DC_350F7CB5F538DE36_6038_UN,C[S](=N)(=O)C3CCC(OC(C12CC(C(C)(C)C)(C1)C2)=O)C3,GBORSRIBYMOINE-UHFFFAOYSA-N
-9D91E49E0BF60A01_6B357E8CB79FC953_6038_DP,COC(=O)[C@H]1[C@H](CC=CC1)NC(C23CC(C(O)=O)(C2)C3)=O,HROGKBXAMSAECI-YAGSZDGKSA-N
-9F848C53DDF5353B_D08D78AF1BB92383_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,WFQZRUQBQYJBCJ-UHFFFAOYSA-N
-A04EDA7E28505906_0E4BFD1B6E4EAD86_6041_UN,OC(=O)C1=CSC(=N1)C2=CC=C(S2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,VLVSBNXFOZQNCQ-UHFFFAOYSA-N
-A04EDA7E28505906_DEE657A555BEA415_6041_UN,OC(=O)C1=CSC(=N1)C2=CC=C(S2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,VLVSBNXFOZQNCQ-UHFFFAOYSA-N
-A2277EFA0AAB0987_82DDEC295C86E227_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)CCC)(=O)=O,DNZIMUFHXOWQRY-UHFFFAOYSA-N
-A2F2784CD0779EB1_67531687C222FB0F_6038_DP,OC(=O)[C@@H]1CCC[C@@H]1NC(C2CC(C(OC)=O)(C)C2)=O,XNXRQYYBSXHMTM-HDCINBLHSA-N
-A40038D2C29CF28C_2CB4F389489BCDD9_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC4COC3=C(C=CC=C3)O4,WWQXKYZIUQSPPT-UHFFFAOYSA-N
-A4849319E46887FF_BF2B95A56BF744D3_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)N3CCCNCC3,GXDXDOJPAGTSRO-UHFFFAOYSA-N
-A4B05CF498940887_28CF9FB822784265_6038_UN,CC(C)C(CCNC(C1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,BXMQQIMUGQZGJJ-UHFFFAOYSA-N
-A57E2C3BD86DB6E8_962DE5EE2081E07D_6038_DP,CCOC(=O)C3=CCC(NC([C@H]1C[C@H]2CNC[C@@H]12)=O)C3,MSDKGEBUMMUYRL-WODVXLOZSA-N
-A6300CBC51352610_AC48224BC5F9D3C9_6038_DP,COC(=O)C[C@@H]3C[C@H](NC(C2C[C@H]1CNC[C@H]1C2)=O)C3(C)C,OBZHGNLORFGWNE-GTGGMXTKSA-N
-A69D27B153C2C499_BB38448EFED174B2_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,YICFHKUSTQNHDM-UHFFFAOYSA-N
-A7923C2EF81A3DA1_2C305F45D4C727E3_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC=C(S2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,QCUPUWXJKRVKJI-UHFFFAOYSA-N
-A892C51E4EAD7D58_4615D46B38E84671_6034_UN,CC2=NC1=C(C=CC=C1C#N)N2CC(CCC(C)(C)C)N,IMSXUOUTCLCOOF-UHFFFAOYSA-N
-A99E720ADEADDF1A_49C5D7848018CB36_6026_UN,[S](=O)(=O)(C1=NC=C[NH]1)NC3=C(C=C(N2CCN(C)CC2)C=C3)OC(F)F,MOTDMCDLXCKXSK-UHFFFAOYSA-N
-AA1A833D4E6DD5AA_736F8B6674DC7234_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,IWXBIIBXADLYTA-UHFFFAOYSA-N
-AA3D027F906CD8ED_2F081C8C41232534_6038_UN,CC(C)C(NC(C1=CN=C(N(C)C)C=C1)=O)C2=CC3=C(C=C2)OCCO3,XVGMLPDJAAFKCH-UHFFFAOYSA-N
-AA89BEEE83FCC350_562E9104405499AD_6035_DP,OC(=O)[C@H]2C[C@@H](OC1=C(C=C(CC)C=C1OC)OC)CN2,ZFDZFHJCZDFTME-GHMZBOCLSA-N
-AEF4128167D49970_79E1E3D394E4300D_6029_UN,C#CCN(C1CCC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,IJSVTRDPSQSAIB-UHFFFAOYSA-N
-B210C0896A8F4B9D_C4F044FBFDC7DFD8_6041_UN,C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)NC4=C(C=CC(=C4)C(=O)O)OC5=CC=CC=C5,STTDYCFDMOWOMW-UHFFFAOYSA-N
-B2A323E918B6CE06_D3C61F6449D0B03F_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3)CC4,MJOMZDJPEAWWCM-UHFFFAOYSA-N
-B2DEF14F68F93565_6B2F2B045AE177BF_6034_UN,BrC1=CN=C(N(C1=O)CC34CC2(CC(CC(C)(C2)C3)C4)C)C5CCC5,UTEKULJDUXWSOI-UHFFFAOYSA-N
-B2E907541CF5B096_04D30ECA42581C89_6029_UN,N(CC1(Br)CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,FAXLFWAXAZBLML-UHFFFAOYSA-N
-B316BD9DD3A5A38B_EF76981E4074C613_6041_UN,C2(=C1C(CC1=CC=C2)=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,KNNFWECTNZIFIM-UHFFFAOYSA-N
-B42A93D89F5FA4A8_C1788EC52F5B236E_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,LFJPYZUVAXDDII-UHFFFAOYSA-N
-B43A07E10683428F_0152E7C19D6A302C_6035_DP,N1CCC(C1)[C@@H]2C[C@H]2COC3=C(ON=C3C(OC)=O)C(=O)OC,YVKFBMVCMGDRNI-AGROOBSYSA-N
-B4787C8B2194F049_2CC2FBBCA28715FB_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3CC(C(C)C)C3,RFAOCGXENAOKGG-UHFFFAOYSA-N
-B7633A07C0A02ECF_21BC8A6F9ACF4EEB_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2(CC2(C)C)C#N)[NH]N=C3,OXODHDOQCHVQGX-UHFFFAOYSA-N
-B8214858B1A4C26E_0D7292E01286E819_6035_UN,CC12CC4(C)CC(N)(C1)CC(C2)(OC3=CC=C(C=NO)C=C3)C4,KJFKMMCDHTZURA-UHFFFAOYSA-N
-B83346FCDC2225AA_46265B357B32EBE1_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NCC3=CC(=CC=C3)N4CCOC4=O,XRSJBRSVUNEUON-UHFFFAOYSA-N
-B84245DC5F478855_D3ABD2F9EBDFC9ED_6026_UN,ClC1=C(C(=CC=N1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,JOILNKCJPBYDNJ-UHFFFAOYSA-N
-B8B8D8537FE6B3AC_E26E1FA5E3C39103_6029_UN,C1CN(CCN1[S](C2=CN=C(Cl)C=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VJDCEZHZNTWTCS-UHFFFAOYSA-N
-B9015D582438FA4D_F60C61B17BA8964B_6041_UN,C2(=C1C=CC=NC1=C(C=C2)CC#N)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,FNTQWAIOIKOACP-UHFFFAOYSA-N
-B969B2B56C189154_F6DA8012CA1705A7_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,RXVGVHHCNOAKFY-UHFFFAOYSA-N
-B989760224474F48_07F6662086CD4BDA_6041_UN,OC(=O)C3CC1=C(C=CC(=C1)NC2(CC2)C#N)C(=O)O3,ADWCEWUVYDAILB-UHFFFAOYSA-N
-BB7A23E9B8D9E886_6BE7F3E2BA350EC3_6029_UN,N([C@@H](C1CC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C([S](O)=O)C=C3)(=O)=O,SXLNNYDRWOIMHI-INIZCTEOSA-N
-BB9D745974DCD79A_DD1073602EF9E02E_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCC(N(C)C)=O,PQDBTBIXVYDKBE-UHFFFAOYSA-N
-BBA8EF07C6687D3E_9EAA1AFE0F9E587C_6038_DP,COC(=O)C(CNC([C@@H]1[C@H]2CN[C@@H]12)=O)CC3CCCC3,UPONESASPMDBDG-KIGPFUIMSA-N
-BBCAD98A8FCAAC58_C1F31C65742C2EF3_6029_UN,N(CC(CC1=CC=CC=C1)C(F)(F)F)[S](C2=CC=C([S](O)=O)C=C2)(=O)=O,YATZEWMHORJYLH-UHFFFAOYSA-N
-BC2C09C2A645401A_402FB010CBBBD15B_6026_DP,[S](=O)(=O)(C1=CC(=CC=C1)C2=CC=CC=C2)NC(C3CCNCC3)(C)C,NTPCRFAFLJWQLW-UHFFFAOYSA-N
-BCCFD85DEA4103DD_3F7C9E91A493C2E0_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C)C3CCN(CC3)C4=NC=CN=C4,RVLZJUROHSTCCI-UHFFFAOYSA-N
-C016B24B8A0E097C_2E52492327938262_6038_UN,N(C1=C(C=C(C=C1)N2CCCCC2)F)C(C(C(C)C)C3=CN=CC=C3)=O,NAIGRYSNOYUJMQ-UHFFFAOYSA-N
-C18A05C611000A24_2D8593CAE6A5B60E_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4=CC=CC(=C4)C(O)=O)=O,AORZTSYVNFASOE-UHFFFAOYSA-N
-C19418BC92B5898C_37EFF6879DA22966_6029_UN,N(C(CC1CC1)C#C)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,MMNHOTBXKANUBW-UHFFFAOYSA-N
-C195381579C21246_111E1E1DBD68FE33_6038_UN,CC[C@H](C)[C@H](NC(C(C)(C)C1=N[NH]C=N1)=O)CN(C)C,VEWUPQUIWRGJJH-WDEREUQCSA-N
-C20969871DC9D41C_C98383974D124423_6029_UN,CC(O)C1CCN(CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,XQGYXJPZBZTOAU-UHFFFAOYSA-N
-C2FA16997277EA02_264D0C3866E21E95_6038_UN,CC(C)CC(CNC(C1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,DPORNXBOWREOQN-UHFFFAOYSA-N
-C309B739A53D9635_BD3121137BA66EF9_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3F)C#N)CC4,QFPYLPCYKCHWKX-UHFFFAOYSA-N
-C32076BF063B07C5_4C1FCBD4F50595A7_6038_UN,COC1=NSC(=C1)COC(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,XJFQMKSAHIZCKF-UHFFFAOYSA-N
-C3B77941E0603EC1_9B1C17F866731207_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC3=CC=C(N2CCN(CC)CC2)C=C3,UGRMLKMWRXCCQC-UHFFFAOYSA-N
-C401FF2B4335CF3F_35A0A3C8D41F5221_6029_UN,N(C(CO)CC1CCC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,FJHNLBYVUNNFAV-UHFFFAOYSA-N
-C434033518DCD9A7_AF1DD3674F481AB4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(C3(C)CC3)C=C4,DZAILENOIXGTIM-UHFFFAOYSA-N
-C4AB17A8D6B1B065_77E62E44A45EC71D_6041_UN,OC(=O)C1(CC(=O)C1)C2=CC(=CC=C2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,PDELBKRXKKHGRH-UHFFFAOYSA-N
-C639056C2B13D5B5_57B4DB7D7B596E9E_6029_UN,N(CC(CO)C1CCC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,SCCRLMQMLPGCNV-UHFFFAOYSA-N
-C704232142F1F235_94B07987F557AD0E_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC(=C(C)C=C2)N3CCOC3=O)[N](=O)=O,JTPVGDSRZIKNIC-UHFFFAOYSA-N
-C7BBB9773A3196B4_2C3F18C75706F00E_6038_UN,CC(C)C(CNC(C1=CC=C(CN(C)C)[NH]1)=O)N(C)C,RMIQVRWFQHBSEV-UHFFFAOYSA-N
-C81B76AC1E3DE41D_B02C476E726DB3CF_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CCN(CC)C)=O,UYIQHVKFGFJNEX-UHFFFAOYSA-N
-C96ADEAAFBBE66C5_7968FCE906D188DD_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC4CC3=C(C=CC=C3)O4,XZZIPQQLZHZWQX-UHFFFAOYSA-N
-CA1A8D5D39C392D1_96E90E8045B09129_6028_UN,FC1=CN=C(N=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,KCBCVLIQFPIOIN-UHFFFAOYSA-N
-CA6F030C9D17D121_225741587EBA1156_6031_UN,COC1=C(NC(=O)NC1=O)C(=O)OCC23CCC(CN)(CC2)OC3,PEQBFHOOZLZDQQ-UHFFFAOYSA-N
-CA91E3859634EE45_32860196343491F8_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,IRIUWZMLLLGTTJ-UHFFFAOYSA-N
-CAE088A7F5F29DA2_C4B6CA3C1C36F648_6026_UN,[S](=O)(=O)(C1=CC=C(C#N)S1)N2CCC(C)(CC2)C3=CC=C(C=C3)Cl,LOWVCRIRIUEFCO-UHFFFAOYSA-N
-CB0A0B4E6D48AD6D_7B51D74609A707B3_6028_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,OPMRHGFNMFCWJE-OAHLLOKOSA-N
-CB0A7E462A74BB24_7CD2F8176E438397_6028_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,PAKVONWWOHFZLZ-UHFFFAOYSA-N
-CB23E3B8FF7CDF23_2633556F3E380410_6029_UN,CC1=CC(=C(C=C1)C2C(CC2)N[S](C3=C(C)C=CC=N3)(=O)=O)C,RVPXXDRPBIMQAB-UHFFFAOYSA-N
-CBC1217CC36186FB_281DA62C1C3E4761_6028_UN,FC1=CN=C(C=C1)C2=NN(C=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,ZMCQQIMBQZITQX-UHFFFAOYSA-N
-CBD9B200BF7A78B5_B4C28ACAA1C6A4E5_6029_UN,N(CC(CO)CC1CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,RKTLYKPDEMRDEU-UHFFFAOYSA-N
-CC19BCD20CF26547_8156C6E3565E6BF2_6038_UN,C[S](=O)CC1=C(C=CC=C1)NC(C2=N[NH]C(=C2)C3(C)CC3)=O,JRQZYCCQIMOYHP-UHFFFAOYSA-N
-CC9E5BCF7A41ACD5_194E3029A0DD41C0_6038_UN,COC(=O)C1CCC(CC1)NC(C2(C(OC)=O)CC2C)=O,ITWDRYRRJHTFBS-UHFFFAOYSA-N
-CE1EC8268D272053_BF2385923667E57E_6038_DP,CCC[C@@H](NC(C1CNC(CC1)C2CCC2)=O)C(=O)OC,XSRRDCZQZLHPKQ-JXQTWKCFSA-N
-CFF141D2FECD3FD7_1A14907C1D3B43CD_6028_UN,N([C@H]1[C@@H](CCC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=NC=C(C)C=C3)(=O)=O,MSHHRNOSOKTYBW-JKSUJKDBSA-N
-D0AB8FA69A1A1D34_273A094393C4EC95_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC(=CC=C2)C=C)(=O)=O,CCIMSPDPTPITDH-UHFFFAOYSA-N
-D48B47A9742E7200_430538880F50083C_6038_UN,CN(C)C2=NN=C(CNC(C(CC)OC1=C(C=CC=C1)C(C)C)=O)[NH]2,AIQDIRLBUCPEKG-UHFFFAOYSA-N
-D5B0396BA2BD85B2_6A1B2DBD609F7919_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,PUWCEWOPZQSXPK-UHFFFAOYSA-N
-D7C44EC4B6FB8DDE_113CF65145499256_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,ZPHUZNWAQFZVCQ-UHFFFAOYSA-N
-D7CEF58BF805DFDE_B41FB825E9BAB33B_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,HDHQCKYFXZSKMY-UHFFFAOYSA-N
-D7DFE7A817A05BB3_CA20515CB988EEE1_6029_UN,N(C1(CC1)C#C)[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O,AFHLXGJKENPGTF-UHFFFAOYSA-N
-D8E81B35589514EA_CAAF917B418DB150_6029_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)Cl)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,KKRBZANJFNDATG-DLBZAZTESA-N
-D940C2087FDCF7F9_D75218C82F9B331D_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,LTBUJBACTTWPPW-UHFFFAOYSA-N
-DA88CE610770E3C5_8EC825A32B62F304_6029_UN,OC1(CCN(CC1)[S](C2=C(C)C=CC3=C2C=CC=N3)(=O)=O)C4=CC=CC=C4,SIEVKQNHGXZNNY-UHFFFAOYSA-N
-DC39E2A6CDFA5B2B_D86DFBC1F6385043_6038_UN,CN(C)C2=NN=C(CNC(C(OC1=C(C=CC(=C1)C(C)C)C)C)=O)[NH]2,NPLBLPXEKUZNSY-UHFFFAOYSA-N
-DC8291FF24B09EDE_9725FEDCEFC85B80_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C([P](C)(=O)C)C=C2)=O,ZWELNMZHHZRTKJ-NSHDSACASA-N
-DC836D8A18648681_9DD06AE7EFC37CA0_6038_UN,CC(NC(=O)C1=CC=C(C#N)[NH]1)CC2=C[N](C)C3=C2C=CC=C3,HJHOHHFIYSTECO-UHFFFAOYSA-N
-DD1A76C3FBC49D50_5740E459E5B51CEC_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,QJJIOXKFFTZFEM-UHFFFAOYSA-N
-DDD522A1150E01C2_B4DE6900878AA692_6038_UN,CC[C@H](C)[C@H](NC(C(C(C)C)[N]1C=NN=N1)=O)CN(C)C,BFALXSXEVHTFEQ-LAGVYOHYSA-N
-DE03F3C82707AF70_4DEAC2FEA92D0983_6029_UN,N(CCN1C(C=CC1=O)=O)[S](C2=CN=C(N(C)C)C=C2)(=O)=O,ASSHKNFHUPRNFO-UHFFFAOYSA-N
-DE96EB482F2CC514_1ABE7F80C8CF9935_6041_UN,FC1=CC(=C(C=C1)NC[C@H](CC(OCCC)=O)CC(C)C)C2=N[NH]N=N2,DCMJIBFGRPSCOH-ZDUSSCGKSA-N
-DECE87923485D3DA_E7E2D4BAECA9AFA2_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C=C(C=N2)NC4=CC=C(N3CC(C)(C)C3)C=C4,ICFAUEGWVRKRJH-UHFFFAOYSA-N
-DEE07F75CC7C8FA4_0980C90D40F8D8F3_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CCCC(NC3=C(C(C)=O)C=CC=C3)=O,XKZBKVYHAQVJSF-UHFFFAOYSA-N
-DEFB9E71662281F6_D2205A6561CD38E9_6039_UN,O(C1=CC(=CC=C1)N2CCCC2=O)CCCC(NC3=C(C(C)=O)C=CC=C3)=O,MRDGZTONYZQLNN-UHFFFAOYSA-N
-DFC772EE9D829C95_9E3228F55EA48AB0_6031_UN,CN1[C@@H]([C@H](CC1=O)C(=O)OCC23CC(COC)(C2)CO3)C4=C([N](N=C4)C)C,MMXSXYZZJODYBS-UOJOTEDRSA-N
-E0C4310E66E7569F_F48714DDE8C1F1A8_6041_UN,OC(=O)CC1=CSC(=N1)C2=C(C=CS2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,SFRKJLDQBNZHLN-UHFFFAOYSA-N
-E263961A4028F41D_8D5835E8EDC95BA7_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)C2=C(C=CC=C2)F)=O,PZSFXSGOGMHGKN-UHFFFAOYSA-N
-E285D761D1DBB3AA_799E99E547800B6E_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CC(=CC=C3)N4CCCC4)(=O)=O,STIPLJBASGSHOH-UHFFFAOYSA-N
-E3D7984BDEC724A9_C98DB6F2FC6B98D8_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=C(C(C)F)C=C3)(=O)=O,JRTQENQIKVCTGT-UHFFFAOYSA-N
-E41DB80117CED836_D800D26D82CEB3DC_6026_UN,FC1=C(C(=CC=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,MVQRIRBQGGZQGX-UHFFFAOYSA-N
-E6034C1B63CEAF7F_C22D318DCDA410D8_6038_DP,COCC13CC(C1)(CNC(C[C@@H]2C[C@H](CN2)F)=O)OC3,JDZZTCJVDHJNLR-UJLSLHKQSA-N
-E609252390B99130_8D0274C30F0FB00D_6038_UN,N[S](=O)(=O)C1=NC=C(C=C1)OC(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O,AEIOCCGMBMVWEI-UHFFFAOYSA-N
-E6A7C594BDF35985_D8A47C3896E6D025_6038_UN,COC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,LBZGPADJETVHFZ-UHFFFAOYSA-N
-E73E347E3A330773_6334038A0B22425F_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=CC(=C4)Br)[S](=O)(=O)F,IUVVGKLPICNFRI-UHFFFAOYSA-N
-E75DCBE83E5EA1AC_D85E91729178876D_6034_UN,COC1=CN(C(=NC1=O)C)CC23OC(C)(C)C(C2)(N)C3,XQXIXTWGGNLDKX-UHFFFAOYSA-N
-E8088651058F0917_C99DAD29AFE5C271_6029_UN,FC1CN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,XXYNWHUCXZVWJQ-UHFFFAOYSA-N
-E80A22E57B742FF9_B2C87260EE548193_6038_DP,CCC[C@H](NC(C1CCCC1C2CCNCC2)=O)C(=O)OC,KFOMOKXMPAGKPT-NRXISQOPSA-N
-E82483EA56B71C10_02B3A871ED41B237_6038_DP,CC[C@H](NC([C@H]1CCO[C@H]1CC2CCNCC2)=O)C(=O)OC,FOEUKUBDTUBMDI-IHRRRGAJSA-N
-E8FB3852E8A60A9D_B314D410D1F545F6_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCN(C3=NC(=CS3)Br)CC4,JDDQCEYNUBBTPH-UHFFFAOYSA-N
-E97A9372707B7555_88FB0E0A4D63C92B_6039_UN,O(CC12CCC(CC1)(C#C)CC2)CC3=NC(=CC(=N3)OC)C,WTCYQKHBTNFBBU-UHFFFAOYSA-N
-E98E4B236289BE2C_71A5B776936F63D7_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(CC)N(C)C)=O,MONZVZNNOSHLRI-UHFFFAOYSA-N
-EA05E513D539E6A8_58AA96162309FC57_6029_UN,OC1(CN(C1)[S](C2=C(C)C=C(N=C2)C3CCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,YKSNJCITHNTCMI-UHFFFAOYSA-N
-EB8EDAF809C5E4C4_4AA267535907A14B_6029_UN,N(C(C1CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,SAYCSGATMOUBLZ-UHFFFAOYSA-N
-EC8D87A93BA8684A_006B1EC53224DED4_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NCC4=CC=C(N(C)[S](=O)(=O)C)C=C4,ZBIDVOIFGBFPGL-UHFFFAOYSA-N
-ECA1AD769EE8A616_094B2D083CECA5A4_6034_UN,CN1C=C(N)C(=O)N(C1=O)CC23CC(COC)(C2)CO3,WJRYRMOVZXVYRL-UHFFFAOYSA-N
-EDE36D814B7B076E_E2D691EAB4F301CA_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNC(=O)N2)CCC(N(C)C)=O,JQBMGHZDNQKBJM-UHFFFAOYSA-N
-EE011E46A746F756_F1BEFEAEDFE126C6_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NCC3=CC=C(C=C3)N4CCOC4=O,BWNRLSYHGJWRTL-UHFFFAOYSA-N
-EFB285B7B70867C3_D2981DD536BD1408_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=CC(=C4)Br)[S](=O)(=O)Cl,MOBVXCVQINLDGQ-UHFFFAOYSA-N
-F0453DB30C20AE2D_41184CE80D65F619_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=CC=C(C=C3)C4CCC4,WHKFTBZNPZYOKD-UHFFFAOYSA-N
-F05A4EB4E678FF38_28BC4C2286279A82_6041_UN,C1(=CC(=CC=C1)CN2C(=O)CCCC2=O)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,QQUVPNACNBBVMD-UHFFFAOYSA-N
-F1F449997037C43C_A2855D6BC1706163_6034_UN,FC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC4CO[S](=O)O4)=O,IKSTVQLBOFNLFI-UHFFFAOYSA-N
-F4B4AA9E2D63EFB6_E62D1CCFCCF12531_6041_UN,C2(=C1NC(NC1=CC=C2)=O)NC(CC(C)C)C3=CC(=CC=C3)C#N,POAOHNRZGUTBTF-UHFFFAOYSA-N
-F66183E8DF64692B_3426DA9119A93F05_6038_DP,COC(=O)[C@H]1NC[C@H](C1)NC(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,GLOMZGDJZFQJON-UQDSCRFHSA-N
-F7059EF2A46DB85F_03438A5A99DE6EBF_6028_UN,C1CN(CCN1[S](C2=NC=C[N]2C3=C(C)C(=CC=C3)Cl)(=O)=O)C4=NN=CC=C4,GFGNTHGIUGMTND-UHFFFAOYSA-N
-F7B53A1944A54475_57452C397B2CA789_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3)C)CC4,YDOYSDQSDVSFMG-UHFFFAOYSA-N
-F8C9A3FE2A87DE62_4FB3339003B311A3_6028_UN,N(CC1CC=CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,WGZVWMXOGFILIP-UHFFFAOYSA-N
-F990E7ABC8129875_5F6E01A5F817AB66_6029_UN,BrC1=CCCN(C1)[S](C2=CC=CC(=C2)OCCN(C)C)(=O)=O,XCRVSLUCDAXWDC-UHFFFAOYSA-N
-FB29529390F818CE_E5102F30665B19E9_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NC(C)C4=NC3=C(C=CC=C3)S4,IADHTZKPWZHKIY-UHFFFAOYSA-N
-FB98856CE2C282FA_271CBF43E9C5A11A_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3)CC4,HXQYSCNEIFXLDP-UHFFFAOYSA-N
-FDEE6D2349F5E18D_E06AD5E7E63A2352_6029_UN,FC1(CN(C1)[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O)C4=CN=CC=C4,DVHPIYRAJYTYTK-UHFFFAOYSA-N
-FEC52145619C4269_F5AD59C00A5CE61E_6038_UN,O(C1CCC2CCCC1C2=O)C(C34CC(C(OC)=O)(C3)C4)=O,LWNBUPZMYUTHTD-UHFFFAOYSA-N
-FF5A286DA3540DF1_4D1390D14A59E5BC_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)CC(C3CC3)C4=CC=CC=C4,QPYCRRPXRJTTKJ-UHFFFAOYSA-N
-rxn:2:106594:117719,CC12CCC(F)(CC1Nn1c(CC3C4CC5CC(C4)CC3C5)n[nH]c1=O)C2(C)C,BMBURCAYPUTNPG-UHFFFAOYSA-N
-rxn:2:120326:163743,CC(C)(CN1CCC(Cc2ccccc2)CC1)NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,JCTXURNFBNVDJI-UHFFFAOYSA-N
-rxn:2:139988:103647,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(CC)CC1,YAFYKIVSLVNDKK-UHFFFAOYSA-N
-rxn:2:139988:111082,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCCN(C2CC2)C1,IKMIGNAXXZAMGG-UHFFFAOYSA-N
-rxn:2:139988:128645,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CCC2)C1,KLHTZVCLXLUUNC-UHFFFAOYSA-N
-rxn:2:139988:92053,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)C1,JBHITZFULDZMBS-UHFFFAOYSA-N
-rxn:2:139988:96642,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)CC1,RMHTVJTVWMXSOW-UHFFFAOYSA-N
-rxn:2:68942:138785,CC(C)CC(C)(NC1CC(F)Cc2[nH]ccc21)C12CC3CC(CC(C3)C1)C2,FKQRGTHLBQVQCS-UHFFFAOYSA-N
-rxn:2:72732:110279,Cc1cc(C2CC2)cc(C2CC2)c1NC1CC2(C)CC(C)CC(C)(C1)C2,OPPJBMKSSOJDDN-UHFFFAOYSA-N
-rxn:2:77257:95340,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(C2CC2)C1,BORSUWLTJSQIPC-UHFFFAOYSA-N
-rxn:2:77418:151416,CC(C)N1CCC(c2cccc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,RMISSGBUDIZLIQ-UHFFFAOYSA-N
-rxn:2:78148:113564,CCC1CCC(CC(C)N[C@@H]2C[C@H]2c2c(OC)cc(OC)cc2OC)CC1,CQSCCHKMNHYDNY-BKXYZSJASA-N
-rxn:2:85124:125965,COc1cc2c(c(OC)c1C)CCC2N[C@]12C[C@@]3(C)C[C@](C)(C[C@](C)(C3)C1)C2,PRJGLYMDUYMCGC-MVLUFVGWSA-N
-01BB1039B33511BF_B91AD15BAE6543CB_6036_UN,CC1=C(N=C(C=C1)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3)F,JNRDFHJDUJAPPW-UHFFFAOYSA-N
-02DD1759C5650E28_691A0655BBBDE978_6031_DP,O(C(=O)[C@H]1NC[C@H](C1)N=[N]#N)CC2C(CCNC2)(C)C,CDZMHRGWERWXIY-DVRYWGNFSA-N
-0383312043E9E8DE_91D78841EAA10098_6031_UN,O(C(=O)C23CC1CC(F)(CC(F)(C1)C2)C3)CC4=NC=C(C(=C4C)OC)C,LYKBYXXDKMXSBY-UHFFFAOYSA-N
-049C0DD3EC4F1382_77CCD64E16F0417F_7022_UN,C[N]1C=CC2=C1C(=CC=C2)NC3CC(C)[N]4N=CN=C34,ADJMFDGASQIJAH-UHFFFAOYSA-N
-051A7931A90A9BCF_0D475040ABE82925_6038_UN,CC1=CC=C(C=C1)SC(C2=C(C)N=C(N=C2)C3CC3)=O,CCQCGINPAYSIPY-UHFFFAOYSA-N
-053D44327F96FD70_DDE1551314B9D230_6038_DP,CC1=NC(=CS1)C2=C(C=CC=C2)OC(C3=CC=CC(=C3)O)=O,GLEIHXMFVCGXDO-UHFFFAOYSA-N
-05C858DF22561DA2_83B67711C134958A_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,KYUHJEHCQWXLGG-UHFFFAOYSA-N
-067E9ED2F1E5DA34_7305788EF1DCB1B1_6038_UN,CC1=NC(=C(C=C1)OC(C3ON=C(C2=C[N](N=C2C)C)C3)=O)[N](=O)=O,BFIHYQJDADSRDB-UHFFFAOYSA-N
-07DF02F54E6CD0D5_CE52FB81911E1354_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC3=CC4=C(C=C3)SC5=NCCN45,NYPVQEYZZJGVOF-UHFFFAOYSA-N
-0985BE9230F66B18_CED96A76D91D8446_6041_UN,C[N]1C=NC2=C1C(=NC=C2)NC3C(C)COC4=C3C=CC=C4,IUJLITCIUYHPLC-UHFFFAOYSA-N
-09F627B7CFE0BF0D_6F458406C32625A0_6029_UN,CC1CN(CCN1[S](C2=CC=NC3=C2N=C(F)C=C3)(=O)=O)C4=NC(=CC=C4)C,NCGKOTUPDUNIEJ-UHFFFAOYSA-N
-0BE15F61DE320082_0220688F71E515D5_6041_UN,CN(C)C1=NC4=C(C(=N1)NC(C)CCC2=CC3=C(C=C2)OCO3)C=CC=C4,WWOOMIXMBGCPHK-UHFFFAOYSA-N
-0C1D5965221B0363_1F0A57651F4D0347_6026_UN,ClC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,FRXFAUNIRBGHRR-UHFFFAOYSA-N
-0E0BBF0D9E9F83BC_870BC2FE919B571E_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CCC(C)(C)CC4,ORLZVYTXENVFST-UHFFFAOYSA-N
-0F0AC0638DAF1155_892F52EAAC3A79FE_6038_DP,COC(=O)C(CNC(C1[C@@H]2CNC[C@H]12)=O)CC3CCCC3,RUVJOIUKRCYUET-AKJUYKBHSA-N
-0F403804F94DC484_3B5E5EDEFFF16C86_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=C(C)C=C3)OC4CCCC4,SUUVHGZQSCISDL-UHFFFAOYSA-N
-0F466E39A5BC1612_1AFF6889D74F031A_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)N3CCNCC3,FCSGOOJZCQOYAM-UHFFFAOYSA-N
-0F466E39A5BC1612_78728865A7BBAA62_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)N3CCNCC3,FCSGOOJZCQOYAM-UHFFFAOYSA-N
-10122BF2C64C4A8A_B47A97617157B47C_6029_UN,N(CC1(CCC1)C2CC2)[S](C3=CC=C(CSC)C=C3)(=O)=O,UXJDIXKDPVCDMO-UHFFFAOYSA-N
-1045744971958DE7_4A361AE22E7F6004_6038_DP,NC1=NC(=N[NH]1)C2=CC=C(C=C2)OC([C@H]3CSCN3)=O,ZYAVAWBGDXMCDH-SECBINFHSA-N
-11852D1294162CE5_82F56C8E8BC18359_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=CC(=C3)C4=N[NH]C(=N4)C)=O,SGWTYFVNQBORFV-UHFFFAOYSA-N
-11B6099CDD78D1D1_E395153A9EB2B7D8_6041_UN,CC(C)C1=NC(=NC(=N1)NC2C3=C(OC2)C=C(C=C3)F)N(C)C,MYTSZYIFBCTYPR-UHFFFAOYSA-N
-11DA8AD97AAE523D_E8F3356590D5D593_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C4ON=C(C3=C[N](N=C3C)C)C4)=O,WCDZYQCJONWEQM-UHFFFAOYSA-N
-13237E01B502793C_8D30B8FEA7CD43C9_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(N3CCN(C)CC3)C=CC(=C4)F,UJNNAKABOWSJGL-UHFFFAOYSA-N
-142F62C4B8D1B739_837249E6DA0CBB08_6038_UN,CN(C)C1=NC=C(C=C1)CCNC(=O)C2CN(C2)C3=NC=C(C=N3)F,BYRDCKGVIQAQNQ-UHFFFAOYSA-N
-14EE89222C87F364_F38977005C40CC9D_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC(=CC=C2)NC3=CCOC3=O,ZTCTWTQDHHKWHI-UHFFFAOYSA-N
-15842898BF3EC21F_E60D75AA309C89AD_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3=C(C=C(C=C3)C4CC4)F,ZQJBSOINGKDFRK-UHFFFAOYSA-N
-17CFF3302A7772B6_2B8DF90E99945645_6038_DP,CCOC(=O)C3=C(NC([C@@H]1C[C@H]1C2CCNCC2)=O)CCC(C)C3,ZHMPSFAQOACDRZ-JQXSQYPDSA-N
-1A5A60922CB85962_FAAEBCF0A9C0B27A_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,RVROIWDFZKCYMO-UHFFFAOYSA-N
-1AD4DF13CB1D8264_E39228D34E9AC03E_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC(C3=N[NH]C(=N3)C)(C)C,HNKCITTZOOUNLC-UHFFFAOYSA-N
-1B8753C9CB3C7A34_E605EA15A1CF8832_6038_UN,CN(C)C2=NN=C(CNC(CC(C)C1=CC=CO1)=O)[NH]2,XTKSCJZQASPMKH-UHFFFAOYSA-N
-1BE2F7D558D9D4C1_42C31C46B809C41F_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3O[C@H](OC)CNC3,KUDLYBKBLYHRAK-RYUDHWBXSA-N
-1BFAF7A657DE8679_5F79278D07CFBA86_6029_UN,C1C=C(CN1[S](C2=CC(=C(OC(F)F)C=C2)Cl)(=O)=O)C3=CN=CC=C3,FGUWKDAGFNKXOJ-UHFFFAOYSA-N
-1CD95A6C02CF6136_722C2EBF49B298F4_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NC[C@H]4N(C3=NN=C(C)O3)C[C@H](C4)F,AEVVPDUDJVFIHH-UWVGGRQHSA-N
-1CF0E7AD4A60B281_F71BA9203F230818_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2N=CC(=C3)C)(=O)=O)C4=CSC=N4,MNNISCBMIXUDJZ-UHFFFAOYSA-N
-1D0AAB15918CFAB1_862013CC707A22CA_6041_UN,SC1=C(C=C(C=C1)C#N)NC2=CC(=CC=C2)C[N]3C=NN=C3,OTXKDWOQAKTNDA-UHFFFAOYSA-N
-1DA47CABBA566E93_71DB7E6CA6E7E5D0_6038_UN,COC(=O)C[C@@H]2C[C@H](NC(C1CCCCC1C)=O)C2(C)C,HNLPENPIWLXWJY-YIOUJQMASA-N
-1E92583800C5C0BE_8F306FD5E4AC6D50_6006_UN,O=[N](=O)C1=CC2=C(C=C1)N=CC=C2C4=C3OC=CC3=CC=C4F,CDKQQEZHFVCYNI-UHFFFAOYSA-N
-1EC76F634B401407_E7C316E1BB2E5EAE_6035_UN,O(C1CCC(=C1)C2=CC=C(C=C2)Cl)C4=C3C=NNC(C3=CC=C4)=O,KMFZIOQYTDGAHN-UHFFFAOYSA-N
-211845122B3A8F10_0779FA0A782A9C03_6031_DP,CO[C@@H]1C[C@@H](NC1)C(=O)OCC23CC(COC)(C2)CO3,KCBGMONUHHJVIB-IENTYSSBSA-N
-228576378B19E4F6_6C969236C6005C48_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=C(C=C(C)C=C2)C)O3)(=O)=O)C5=C4C=CSC4=CC=N5,LOOVBSUHJLXJOY-UHFFFAOYSA-N
-234D6AACDB596D0B_1EEEF1463E1D0414_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCCC(N(C)C)=O,HFUJGASOMIDDMY-UHFFFAOYSA-N
-23FF734BBD915814_82470E80E9926FBC_6031_UN,COC(=O)C23CC(CC(=O)OC[C@H]1CC[C@@H](CC1)C#C)(C2)C3,NFVCHGVWCMYFJU-DZQYTSFXSA-N
-25582E89FAA0C761_26B06E374E5A1D70_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)C=CC=C4,RDVQJCNCSNTNJA-GOSISDBHSA-N
-25D2AC1032F046F7_7C34787836A8F2FB_6029_UN,C1[C@@H]4C[C@H](N1[S](C2=C[N](N=C2)C3=NC=CS3)(=O)=O)CN4C5=CC=CC=C5,WNRSZCZPLILNMS-GJZGRUSLSA-N
-266F709F9D5594C2_694647FF9AAA27D4_6029_UN,N(C1C(CC1)=C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,XCWAMSXMNXMFAU-UHFFFAOYSA-N
-27789CB606FC3923_0E28AB591272BB2C_6031_DP,COC[C@@H]1CC[C@@H](N1)C(=O)OCC23CC(CN)(C2)OC3,DKWLWNVFYVHAIY-YWBBTBBSSA-N
-28465EA26CEB5794_16DE6358EB28CB48_6036_UN,CC1=C(C=NC(=C1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,GEHOYBVRAIMEFA-UHFFFAOYSA-N
-28C50ADD5F5842E8_39F0CECB2982FAB7_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C)(=O)=O)CCC3=CC=C(C=C3)F,JMTCHGIJLAHEGR-UHFFFAOYSA-N
-2940086067D85F2C_173A93413B7049B1_6038_DP,COC(=O)[C@H](NC(C12CC(C(O)=O)(C1)C2)=O)C4=CCC3C(C3)C4,IHVNTIHLXOERGU-BLTFXMSXSA-N
-2A15A99214496E29_B3676078501D8DC9_6029_UN,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C3=NC=C(C)C=C3)(=O)=O,OFLLZOMACNKDLT-UHFFFAOYSA-N
-2AF4EAABE16CDF81_7FE32E61A0A6DCF3_6038_UN,COC(=O)[C@H]1[C@H](CC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,PNNFETHUQMHXJL-YAGSZDGKSA-N
-2B3BE98F117870D1_F7AB5856636444DC_6029_UN,FC1=C(C=CC=N1)C2=N[N](C=C2)[S](C3=CC(=CC=C3)N4CCCCC4)(=O)=O,PSNRRWHKCOSHSF-UHFFFAOYSA-N
-2B5CE0F975E2D5A2_A4AE2CD7EE2B0E3B_6038_UN,N(C1=CC=C(C=C1)OC=C)C(=O)[CH]3C[C]2(C[CH](C2)C#N)C3,BGJPBZLWKFENEO-UHFFFAOYSA-N
-2C3A105983539DDA_0ECEE5FAFD72ADC4_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C[NH]N=C3C4=C[N](C)N=C4)=O,VNHQRAPBCAQQPX-HNNXBMFYSA-N
-2C5F61183E09B136_489007CC00B1377B_6041_UN,C[N]1C=CC2=C1N=CN=C2NC4C3=CC=CC(=C3OCC4)C,FVXXMLAJORBDRW-UHFFFAOYSA-N
-2C858A394A2EC5E4_431B1B8D6A724DEF_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4)F,ZBHQWZDMQRUZGI-UHFFFAOYSA-N
-2CCF5193D1D923F9_D8A6E083BDFCCDB7_6038_UN,CC1C(CC2=C(O1)C=CC=C2)NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,SVKFLJXLRLQNKX-UHFFFAOYSA-N
-307099F370894D3E_709A1A1A4D07222C_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CCCC(C)(C)C4,JUFJIGZNQBWDNL-UHFFFAOYSA-N
-308FF97A496AABA8_3A16F359613D8A87_6038_UN,CCCC(NC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)C2=NN=N[NH]2,ALJVWJKSFAIFEA-UHFFFAOYSA-N
-30AA240E32764A91_B3F1F9678134A92C_6038_UN,C[N]1N=CN=C1C2=CC(=CC=C2)OC(C4ON=C(C3=C[N](C)N=C3)C4)=O,ZYPSZAGXWDYEJQ-UHFFFAOYSA-N
-3340B08F57F676F1_F0204363D1EE14A1_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=C(C=C3)OC4CCOC4=O,WJQXFBPOSWTVRB-UHFFFAOYSA-N
-341E5D7CDC61660E_6C707E7B5E74C6AB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=CC(=C3)C(=O)N4CCOCC4,PYDUZSFYODFZGG-UHFFFAOYSA-N
-35287DDD0C110FEF_6FBE185EF6F1A3B5_6036_UN,C2(CN1C=CC=CC1=NC2)N([S](C3=CN=C(Cl)C=C3)(=O)=O)CC4=CC=CO4,OVBMOBBBYFBEKT-UHFFFAOYSA-N
-367747DF1A72F9B6_2234172B523A2360_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,UFAGRKXFFQUFJD-UHFFFAOYSA-N
-368D87A648C1A331_C9C43C98FFE990CC_6038_UN,CC(NC(C2ON=C(C1=C(C=CC(=C1)C)C)C2)=O)C3=N[NH]N=N3,MIIFCESALGUMBS-UHFFFAOYSA-N
-37FAEF6A1B2A223C_BFCAAAE334BAE0DE_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=CC=C(C[N]3C=C(C)C=N3)C=C4)=O,ZPDSXEPQELJNTA-UHFFFAOYSA-N
-38133D68FF281525_FE10016045340192_6038_DP,CCC(CNC([C@H]1[C@@H](CNC1)CC2CC2)=O)C(=O)OC,KFGGKKUNLXEKCB-VFRRUGBOSA-N
-3930C2C1516787AC_41BF3C5F7D1C2487_6038_UN,COC1=CC(=N[N]1C)COC(C34CC2(CC(CC(C)(C2)C3)(C)C4)C)=O,ISJZKOAOYYCOMI-UHFFFAOYSA-N
-398FEAFA3A033B68_4B0B1A8D83223683_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C[NH]N=C3C4=C[N](C)N=C4)=O,GAOCTKNPHFAMHG-INIZCTEOSA-N
-3A49649C8332DF09_674C159B77E0559A_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C(C(C)C)C3=N[NH]C=N3)=O,TWYFQZHSJLZWEW-LSLKUGRBSA-N
-3A818703F19BA74D_D0ECC9FA772922AA_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC4=C3COC(C3=CC=C4)=O,RRORSSKSNCJHOD-UHFFFAOYSA-N
-3A940A4A0574C096_B8D8A23C84BA7C92_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=N[N](C=C3)C4=C(C=CC=C4)F,WXQOBJIFUOXTCC-UHFFFAOYSA-N
-3C401B0747013ED6_8D90807B6020E7AC_6038_DP,CC[C@H](NC([C@@H]1CC(CN1)C23CC(C2)C3)=O)C(=O)OC,UCMRDPZPSFQWIZ-AQSFUTAASA-N
-3D066C411B17CBA6_CA625C4878AE6DD1_6038_UN,O([C@@H]1CCCC[C@H]1C#N)C(C3C2CCC(CN2C(OC)=O)C3)=O,KGAXHGFXXCDNJP-TZZMIGRFSA-N
-3DC83E5424C8C2FB_8E4D3556D353718D_6041_UN,CN(C)C1=NC(=NS1)N[C@H]3C2=CC=CC(=C2OCC3)C,SVPAUACKJKGJBQ-LLVKDONJSA-N
-3E9FAB9829022F6C_C776C391BA3A6A5A_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=NC=C(C)C=C3)CCC4)Br,FMUKVICHHXKDLP-UHFFFAOYSA-N
-3F12751C25F433D5_8C3FA336EFA26226_6038_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(C(CN(C)C)=C)=O,UEGQAOVSVNUQEG-UHFFFAOYSA-N
-3F1766B94DA3237F_700195C74575CEF6_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)OC4=NC=CC=C4,LINMVEJFCOBEHX-UHFFFAOYSA-N
-413F8CA2683A6D4A_7B10EEA32C67F61C_6029_UN,OC1=C(C=CC=C1)C2=CCCN(C2)[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O,CTTBQJNIGNVZTM-UHFFFAOYSA-N
-4155C8BA8E303FA8_0BF5D064A288BE76_6029_DP,N1CCN(C(C1)C2=CC(=CC(=C2)F)F)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,WPOZASLHPNEDFW-UHFFFAOYSA-N
-43645D0FBE969B0A_4C44A7F5814A9A59_6036_UN,CN1CCN(CC1)C2=NC(=CC=N2)CN([S](C)(=O)=O)CC3=CC(=CC=C3)Br,DBBZCYXHFVUFNY-UHFFFAOYSA-N
-45D37A3B66B89966_7113C186C9ACC292_6029_UN,N(CC1(CC1)C2=C(C=C(C=C2)F)Cl)[S](C3=C(O)C=CC=C3)(=O)=O,RTYSKAMENMALJW-UHFFFAOYSA-N
-46674A19AE58F21B_3039F78BFBCC91E8_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NCC4=CN=C(N3CCN(C)CC3)C=C4,LIMMEJGGGSKVHS-UHFFFAOYSA-N
-4698C9A1F8FD0DB1_05AFBCAD9F84A4BD_6041_UN,CC[N]1C(=NN=C1C2=CC(=CC=C2)NC34CC5(C)CC(C3)(CC(C4)(C5)F)C)S,SKUVMFQHASHYTQ-UHFFFAOYSA-N
-4818D179713372B6_6B86236C64AEC207_6036_UN,C(C1=NC(=CC=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,SPQAJNVHWHMWRW-UHFFFAOYSA-N
-497A7518EB2DD14F_A11DEBB6543F5F5D_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(C3=C(C)C=CC=C3)=O,HOKJVKRNOLLCBN-UHFFFAOYSA-N
-499B43EFC820BE19_E083E15A8FCAFA99_6035_UN,NCC23CCC(COC1=C(C=NC(=N1)OC)F)(CO2)C3,OOMGGWZPGDYHSE-UHFFFAOYSA-N
-4A19D69DCA5C9F4D_898ED6179C7654B4_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,SXEPRXRATPMUAL-UHFFFAOYSA-N
-4AAD78C815DB28EC_CD90549BA628ECCE_6029_UN,CC1CN(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)C=C3)(=O)=O)C4=NC(=CC=C4)C,OAJWCCLINJTIMD-UHFFFAOYSA-N
-4AD464EFD4DEF8A8_8AA6FCEA69417D0A_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N4[S](=O)(=O)C=CC4,AJEYAHJSILCMIU-UHFFFAOYSA-N
-4AED68FE32E7AC73_4467FB4C2E533A16_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NC[C@@H]3C[C@@H](CN3CC4=C(ON=C4C)C)F,NJUROEMVBLPTDE-STQMWFEESA-N
-4AF88CDF5DE96CC4_71923133AC2ECD72_6038_DP,CC1C(CC2=C(O1)C=CC=C2)NC(C3=CC(=NC=C3)O)=O,MNCCTVVLBNGCHN-UHFFFAOYSA-N
-4B3C5C2BC02816B9_78CE294E1BB3CF35_6038_DP,OC1=NC(=CC=C1)CNC(C3OC2=C(C=C(C)C=C2)CC3)=O,YDKDCHKUFGRKTG-UHFFFAOYSA-N
-4CC320907BCC3058_1F8308664E95F176_6038_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)NC(C4=C(C3=CC=N[N]3C)[NH]N=N4)=O,BJAIMPWGXMYRNV-JOCQHMNTSA-N
-4D46B04A89E09732_E311F00CC105D062_6041_UN,SC1=C(C=C(C=C1)C#N)NC2=CC=C(C=C2)[N]3N=NC4=C3C=CC=C4,GOLNEHDIEXPXTG-UHFFFAOYSA-N
-4E191AFDF9FC3E1A_9B17154FA5DA92AB_6038_UN,C[N]1C=NN=C1SC2=C(C=CC=C2)NC([C@@H]3N(C)C(CC3)=O)=O,MCXFWFQCESHYFF-LLVKDONJSA-N
-507B24BC12B5122C_2C15F4813040C1F7_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)OC3=NC=CC=C3,NYEWIUNHIUZMRB-UHFFFAOYSA-N
-50BFF25C9544C4D9_E59B9B04E2488A7B_6028_UN,ClC1=C(N=CN=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,OZGSBCHFYPIACU-UHFFFAOYSA-N
-5190F5811A934C0C_9C7C413C531AD5BB_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O,YHIGDUJTLBOQNP-UHFFFAOYSA-N
-53CA1C80179AF716_BB6D4067C19385F4_6038_UN,CCOC(=O)C45CC(COC(=O)C1=N[NH]C2=C1C[C@@H]3C[C@H]23)(C4)OC5,YSAGMOWRJYDTOZ-ILFNSWOPSA-N
-53E359F6F5816B10_86DAA2CF3DCEE146_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,LGBGWAYXHUFGNN-UHFFFAOYSA-N
-5449E3DAFCF0B7EA_D381D5430B09DDA4_6038_UN,COC1=C(C=CC(=N1)C)OC(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,YEEZKMPVCSPVDB-UHFFFAOYSA-N
-55605EDE63050C7D_AADC77E4D1207F83_6029_UN,CC1CN(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,VQYKKENPLBNRSE-UHFFFAOYSA-N
-55A0ED5108A1E038_61775046ED018448_6038_DP,COC(=O)[C@@H](NC([C@H]1[C@@H](CNC1)C2CC2)=O)CC(C)C,JPPBQMRCAABFIX-XQQFMLRXSA-N
-55CB39C9D97C82CA_E47F9A566A5A1FE3_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C)C(=CC=C3)Cl)CC4,YVRKSBFEIDKWMN-UHFFFAOYSA-N
-562D66AFBE958743_B71D448BA234D30A_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCC(N(C)C)=O,WMYRMXRGQOFWMQ-UHFFFAOYSA-N
-583682BCABF86B1D_31FE9947CFC62558_6029_UN,C1CC(CCN1[S](C2=C(CC)C=CC=C2F)(=O)=O)OC3=NC=CC=C3,XXAYMSRWHCYJRP-UHFFFAOYSA-N
-587E53CEED108441_F41C7DFCF014EDAC_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,SXBSEPAKLUCLAK-XJKSGUPXSA-N
-58994217C2942F64_2AE354505DB9C84C_6029_UN,C1C=C(CN1[S](C2=C(OC(F)F)C=CC(=C2)F)(=O)=O)C3=CN=CC=C3,YXMKTBCORNYOSG-UHFFFAOYSA-N
-5A9F65C2B4381218_7DA8170C451758FD_6028_UN,C1C(CN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)OC3=CN=CC=C3,ANDFPUATCFBASM-UHFFFAOYSA-N
-5AE307C78D34FCBD_CF251F192418A106_6041_UN,CC[N]1N=NC2=C1N=CN=C2NCC(C(N(C)C)=O)CC3=CC=C(C=C3)F,RYHICPGUFPYKML-UHFFFAOYSA-N
-5BAA58BB7CFA4AA4_55C38461CDE090C3_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCNC(N(C)C)=O,ZVTZAGJULGWLTM-UHFFFAOYSA-N
-5C8A0A671278005A_5EB3F785D74E5018_6028_UN,C1CC(=CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=NC=CS3,FRBOWGOYMPLJPI-UHFFFAOYSA-N
-5C9DD6F47F616C58_32942729EFAF74D0_6029_UN,N(CCC1=CCCC1)[S](C2=CC=C(CC(F)(F)F)C=C2)(=O)=O,DLJAALMULTXJTK-UHFFFAOYSA-N
-5D640E750F3F400E_9987FACFE0073D7D_6038_DP,CSCC[C@H](NC(C2CC1(CC(C)NC1)C2)=O)C(=O)NO,ODVNOBRRPGLSMV-DGVZPSOQSA-N
-5E4C450A3B0E8592_262FE09FD9F9969E_6029_UN,CC1CN(CCN1[S](C3=C2C=NC=CC2=C(F)C=C3)(=O)=O)C4=NC(=CC=C4)C,DFZIQAVTJLFEIO-UHFFFAOYSA-N
-5EEB9B7DE0F5D7F9_763F445082E8B741_6041_UN,C[S](=O)(=O)C1=C(C=CC=N1)NC3C2=C(C=C(OC)C=C2)OCC3,YTRZDHLFHNEQIG-UHFFFAOYSA-N
-5F70A8B25653FBDB_834DD330C4959568_6039_UN,CC4=CN1C(=NCC(C1)OCC(N3CCN([S](C2=C(F)C=CC=C2F)(=O)=O)CC3)=O)C=C4,LTWNNRNOCLOWGM-UHFFFAOYSA-N
-606EC51F87529EF0_BEAFE692C0332529_6004_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2C4=C3OCCC3=CC=C4)Cl,MUATZDROKBXWNW-UHFFFAOYSA-N
-60B86DEF98BC9346_EA6AFF998DCC3985_6041_UN,C1(=CC=C(C=C1)N3CC2=C(C=CC=C2)C3=N)NC5=CC4=N[N](C(=C4C=C5)C)C,IZRCXQGBNGMACC-UHFFFAOYSA-N
-61DBC9028B3B68AC_8C3DF2BF4D3999B5_6041_UN,SC1=C(C(=CC=C1)C#N)NC2=C(C=CC(=C2)[N]3N=NN=C3)F,FLFRWGAMFKVQQJ-UHFFFAOYSA-N
-622062ACC72C0502_E2DA3AE0A36A060A_6041_UN,CC1=CC(=C(S1)[Si](C)(C)C)N[C@@H]3[C@H](CC2=NNC(N2C)=O)CCCC3,HBRWCOKVEBCPFX-KBPBESRZSA-N
-6230DBD4E557F9E1_44BA9A5C217E1B77_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)Cl)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,MHXYVNPWAFALCQ-UHFFFAOYSA-N
-623C7E78565CA25C_23810D74824B8FFF_6006_UN,O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2)C4=C3OC=CC3=CC=C4F,JQPRYGMOBXZJMP-UHFFFAOYSA-N
-62FAA8325E390AA4_3CB51A733810ED05_6029_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,ZAQFQEYDNVJLDK-UHFFFAOYSA-N
-636EAC61F080BA12_8B36557FF8EDE54C_6029_UN,C1C[C@@H](CN1[S](C2=CC(=C(COC)C=C2)F)(=O)=O)OC3=CC=CC=C3,UQJFOCFRYUNKRU-INIZCTEOSA-N
-64840DCCFD384EDA_E59464A3E6210038_6034_UN,CC1(CC(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CC3)C4=CC=C(C=C4)Cl,WPNDWSAALDFCGL-OHWIQJHBSA-N
-648723CE8BC5685E_06BBD7697335B180_6035_UN,CCC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(C2CC2)C3CC3,BSQPBXJLVQMFPP-UHFFFAOYSA-N
-6575137B2B1BCEBF_AFE089FD4DC31BD6_2201_UN,CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C5CC4=C(C=CC=C4)C5,OGQIZJHDSQQXQB-UHFFFAOYSA-N
-6580ADC51B59858A_006BE4DA9A0C1EA7_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NC3=C(C)C=C(C=C3)C4=NN=CO4,NCGKMOPEDXEGCC-UHFFFAOYSA-N
-663299CAAEC9CE4C_7F66535C6B931EAD_6028_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)C(F)(F)F)(=O)=O,YIHQQCALCPPLTF-UHFFFAOYSA-N
-66907A9E0C51261C_CAD6DBF1BE833911_6038_UN,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C4CN(C3=C[N](C)N=C3)C(CC4)=O)=O,JPHMGYCDMJTOBV-UHFFFAOYSA-N
-6798EAD8757260DE_83588A20DFBA215B_6038_UN,CN(C)CCOC1=CC=C(C=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,IVPAEFBBTUTRLY-UHFFFAOYSA-N
-67E2506322E3561C_B99715EE57FD4485_6041_UN,CC3=NC1=C(C(=CN=C1)NC(C)CCC2=CC=C[N]2C)[N]3C,LZJMGIHZJLZREO-UHFFFAOYSA-N
-6807921722B5BB91_52C86CF31B2BA5C7_6036_UN,CC1=C(C=CC(=C1)[N]2C=CC=N2)CN([S](C)(=O)=O)C3=C4C(=CC=C3)CNCC4,WLNMHUIOKDIRAV-UHFFFAOYSA-N
-6A00FC156532CAB9_1183745109B462BF_6038_UN,C[C@H](OC(=O)CC1=CSC(=N1)NC(=O)C2=C[NH]N=C2)CC(=O)N(C)C,LSMMASWPXIRYCO-VIFPVBQESA-N
-6A7CD1A0E13C411D_F2909C39A1708857_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=N3)CC4,HAEGYHLRDZIVBD-UHFFFAOYSA-N
-6AE23B05024716B5_F79F0D8DF99E9675_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,CPZTWKMWIZOSKB-UHFFFAOYSA-N
-6BE0CBAD29B9FC23_D70956E391B3EEE4_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C[N](CC)C=N3)(=O)=O,GVTLQXNNSHOVGJ-UHFFFAOYSA-N
-6D5214D1AC854FA1_3154B4F6029068D3_7019_UN,C(C1=CC=CC2=NC=N[N]12)=CC4=CC(=C3OCOC3=C4)C5=C(C)[N](N=C5)C,BHHIASSUECTCDE-UHFFFAOYSA-N
-6D66D4AE5DFF2888_300D92D20D014C79_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@@H]3C[C@@H](CC[C@H]3C(C)C)C,ACEUVLVSMOLGQE-KEYYUXOJSA-N
-6D75BA951D09C128_B07C9833FC8DA6A4_6038_UN,C[N]2N=C1C=C(C=CC1=C2)NC([C@@H]3C[C@H]3C4=N[N](C)C=C4)=O,QEYZBHCRTINMKD-CHWSQXEVSA-N
-6DBE1546123390CF_5009375518BEE48D_6041_UN,CN(CC(=O)O)C(=O)C1=CC=C(S1)NC(CC)(CC)C2=NN=N[NH]2,DKVVTBAYHJKUHJ-UHFFFAOYSA-N
-70EC9E451E9E7DA3_CBD3D61AFBB96D93_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=CC=N3)CC4,NDIHMIMPMPVILH-UHFFFAOYSA-N
-71284715DFF3193A_AB384A465CA4E856_6028_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,KIBQKFWPRRGIAP-UHFFFAOYSA-N
-71A3584700EDA119_ED32799C89B0E01C_6038_UN,CN1C(O[C@@H](C1)CNC(C3=C[N](C2=C[N](C)N=C2)C=N3)=O)=O,AMHLOIPSLDQRGU-SNVBAGLBSA-N
-7310C9CCC5417CD9_CA5D14C87190C654_6029_UN,C1C=C(CN1[S](C2=CC(=C(OC(F)F)C=C2)F)(=O)=O)C3=CN=CC=C3,UMODRJQIKYNZEH-UHFFFAOYSA-N
-73B51319C74B826E_2DF01853BB57DF23_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4C(OCCC4)=O,WCOBIUGBTRFWMU-UHFFFAOYSA-N
-741E8774F7D13545_7D82822E684CDB20_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,PFVFQDSXVKSJGZ-HOMQSWHASA-N
-7506256FBB7F4BF4_A393A9865B2B2595_6038_UN,CN1C(C[C@@H]([C@H]1C2=CN=CC=C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O)=O,DOUGUCAXQFZLEV-XJIUDMAQSA-N
-76C3C5542CF89939_C71D0510F4AE5603_6005_UN,C1(=CC2=C(C=C1)C(=O)C(=O)N2)C3=CC4=C(C=C3)CC5=C4C=CC=C5,JTOQXPSGBSPXOG-UHFFFAOYSA-N
-76C846DBB7AC482F_B868E8977076D78E_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(P(Cl)Cl)C=CC=C3)(=O)=O,SJOXVSMKIRNKMY-GJZGRUSLSA-N
-770BDC3FD566FB75_72E54A04B1137B5A_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCC3)C)C4CC4,AIGDAOMGJMHWRS-UHFFFAOYSA-N
-7864A54C56C563FC_65CD70CB2FCBA3ED_6028_UN,N(CCC1=CCCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,YYIZEGOYOXYRRK-UHFFFAOYSA-N
-79208A93ECD2A0C1_00F8951F71F09F2C_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)N4C(C=CC4=O)=O,JCGDHKPYYGQBSY-UHFFFAOYSA-N
-7A320F4AFF74531C_1DA20A690F071CBF_6041_UN,CC(C)N(C)C1=NC(=NC(=C1)C)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,RUEILDXOELDRKX-HNNXBMFYSA-N
-7A5FB737D06214A0_4D663E7AA6F402C9_6038_DP,OC(=O)C3CC(NC(CC12CC(C(OC)=O)(C1)C2)=O)C3,ZMZJJXKLWFYWJK-UHFFFAOYSA-N
-7A728CF7F62B2D54_497643162F2D1BB8_6041_UN,OC(=O)C1=N[N](C=C1)C2=C(C=CC=C2)NC3=CCOC3=O,RAEUYISLLIGBBM-UHFFFAOYSA-N
-7ADC661894851058_F9AB332D1AA46FBA_6038_UN,CCOC(=O)[C@@H]1C[C@@H](CCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,DQDCZYDWAVRIEY-WWOBZCACSA-N
-7B696656362A8395_F4C0A7BA915B762B_6034_UN,NC2=NC1=C(C=CC(=C1)I)N2CC45CC3(CC(CC(C)(C3)C4)C5)C,KUWIFBPEQMSVHI-UHFFFAOYSA-N
-7BEA6DB0D73306DF_665938EDC0E5F055_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CN=C(C=C2)Cl)C=C3,HBOOBQCFWRPOHK-UHFFFAOYSA-N
-7C5EAC43F9187C75_8B0CFF4FB8CC8582_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,AVQCEVOPOZVPTO-UHFFFAOYSA-N
-7D4D655D75A6EF7A_BEB097367847938D_6038_DP,CCC[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)CC(=O)OC,GDTPWPNFRGKDAA-MELADBBJSA-N
-7E3DA3329CD9301C_F78CA87CA67FD9D6_6028_UN,C1C(CN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)OC3=CC=NC=C3,MDLIQBNSUXQCAP-UHFFFAOYSA-N
-7E5B48B09D647BFC_5B18772FCE194EE6_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3C(N(C)C(CC3)=O)C4=C[N](N=C4)C)=O,YIOPALDPLVPKHI-UHFFFAOYSA-N
-7F41578E9D8CE275_78728DDB294F437D_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C[N]3C=C(C)C=N3)CC4,AAQVLZHDXYHCLP-UHFFFAOYSA-N
-7F761A9E3B9C5D03_B2B003350C373FB4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(N3CCCN(C(C)=O)CC3)C=C4,KYVQVPLDRWCAOR-UHFFFAOYSA-N
-80051B74ECC9609B_B05A8B292B932DFD_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=C(C)C=C3)OC4CCCCC4,MJLGAHOIHRTXHP-UHFFFAOYSA-N
-810ADC445DEA5E1E_555F664393CD7927_6036_UN,C(C1=NC(=CC=C1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,MZWQOUGDUHMMST-UHFFFAOYSA-N
-81BA23EDC50E64E6_E4B5386F75FD1BAD_6038_UN,CC(=O)N1CCN(CC1)C(=O)CCNC(C2=CC=C(CN(C)C)[NH]2)=O,UBKZGFHQLFVNAO-UHFFFAOYSA-N
-81D84F646A7883CC_371110BD888A8A12_6029_UN,CC1CN(CCN1[S](C3=C2C=CC=CC2=C(Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,HCTFLORCSIYCSM-UHFFFAOYSA-N
-83071EAF9C8135A6_C3F7BBFB29109DF5_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N5CCN(C4=CC3=C(CCC3)C=C4)CC5,SIMWPXGRWFCYIC-UHFFFAOYSA-N
-8358C14DA1C0290E_266614ADC35A8ABA_6034_UN,CC1(CC(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CC3)C4=CC=C(C=C4)F,YMJYMGVCUFHSGF-OHWIQJHBSA-N
-839CB187010A4A5D_DEF09B1E1C46B1D6_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=C(C3=NN=C(C)O3)C=CC=C4)(=O)=O,TZNRLKBYIKRPLL-UHFFFAOYSA-N
-84B6E764B0C94F4D_D5F8173738DF229D_6041_UN,C1(=CC(=CC=C1)N3CC2=C(C=CC=C2)C3=N)NC5=CC4=N[N](C(=C4C=C5)C)C,HGTZLWBEBDUXAH-UHFFFAOYSA-N
-8503A41799942B1C_8853E250E351377A_6036_UN,CC(C1=N[NH]C=C1)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,LTPBXYCLIHAKEP-UHFFFAOYSA-N
-852879AD7DA5D62E_F9770874A4FA2CEC_6031_UN,O(C(=O)C1=CC=C(C=C1)C2=NN=N[NH]2)CC3(N(C)C)CC3,LNOBGQSTSGMXPV-UHFFFAOYSA-N
-8759D982CE5CBFA4_5B826036112992D8_6041_UN,CCOC(=O)C1=C(C=CN=C1)NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3,MAURCGICJDLPRS-UHFFFAOYSA-N
-875C5FBD568FD698_1DEBEB7B6ABED24D_6035_UN,O(C1COCC1CC2CC2)C3=C(C=C(OC)C=C3Cl)Cl,PWIPASDKHJMZDM-UHFFFAOYSA-N
-8779132348D754B8_B27F5C4BA11B0BD8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=CC=C(CC)C=C3)CC4,MTDLBVLUWFZHQE-UHFFFAOYSA-N
-881127C7DDE5569A_2D47A8CCF413ED40_6034_DP,CN1C=C(C#N)C(=O)N(C1=O)CC34OC2(CCNCC2)C(C3)(N)C4,RORGHPFZGXNODV-UHFFFAOYSA-N
-8937E794A482D66B_1638DE51A7B636C0_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,ZKGMBOQSWAGTHQ-YLJYHZDGSA-N
-8CB60399C220B607_EA78E4BC2C488F58_6041_UN,CN(C)C1=NC=C(C=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,QWGGQTAQIGEFIL-UHFFFAOYSA-N
-8CCF9B187A6522E0_4C8E3CCC60E8C7BE_6038_UN,COC1=NC=C(C(=C1)OC)COC(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,MQZLSMNSSGSMSP-UHFFFAOYSA-N
-8E5E4499C2BFD006_238ADE39710A2200_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C(=CC=C3)F)C4CC4,VKYNSRLYNJEDBA-UHFFFAOYSA-N
-91D832FB4ADF1C54_18F848A4A8CBAD90_6029_UN,N(CCC1=CCCCCC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,LELMSONMPGZTKC-UHFFFAOYSA-N
-92A41965A9982A36_A359E124785608F5_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NCC3=CC4=C(C=C3)OCC4,PEJUNITYBPQZBY-UHFFFAOYSA-N
-9318B5706232911B_6E9CBBE3B904CAA0_6029_UN,CC1CN(CCN1[S](C2=CC=CC3=C2N=C(Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,CDWJLPLUNZLNFO-UHFFFAOYSA-N
-93D5F0998BC677E1_20BB16B7ACBD3919_6038_UN,CN(C)C3=NN=C(CNC(C1=CC=CC2=C1OC(C)C2)=O)[NH]3,DLQSRKKFCYKGNL-UHFFFAOYSA-N
-974C592B27CEE7AE_B8994A78CFC6377E_6028_UN,N(CCC1=CC(=C(C=C1)Cl)Cl)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,KXSIZUCLFRCUDS-UHFFFAOYSA-N
-9835C0172972E45B_636C50A007B6987A_6028_UN,C1C=C(CN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,MAWKWKHBASVPCB-UHFFFAOYSA-N
-9851BDCD94AE0E74_87D13A712FFCC36B_6038_UN,CC(OC(C2ON=C(C1=C(C=CC(=C1)C)C)C2)=O)C3=NN=N[N]3C,PBKHYQOMFKUZGQ-UHFFFAOYSA-N
-9B8136B2CF4DCBF0_B40893A349D08671_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C3=C(C=C(C=C3)C4=CC=CC=C4)F,ACDVTCJOBJZKRP-UHFFFAOYSA-N
-9D4E6FD85DCC9110_F78E9BEA8C886DF1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCC3(ON=C(C(OC)=O)C3)C,QGUZNSYKJXNGLC-UHFFFAOYSA-N
-9E273383E388094C_E796DEEA65F67E67_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCCC4,KPZLULOBRDXDNH-UHFFFAOYSA-N
-9E9859B4FC4BFF55_64135A97D2D3043F_6029_UN,IC1=CC=C(C=C1)C2=C[N](N=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,ZBZZUBGWCAWPKW-UHFFFAOYSA-N
-9FF73964B06C6CFC_3AB37FDF371D64F4_6035_UN,O(CC1=CC2=C(C=C1)C=CC(=C2)CC#N)C3=CC=C(C=C3)[N]4N=NN=C4S,WBQZLYTYPMUYPW-UHFFFAOYSA-N
-9FF7BF88019F35A2_23CBB43DE9144129_6029_UN,C1C(CN1[S](C2=C(C=CC(=C2)C)I)(=O)=O)OC3=CN=CC=C3,WDDWTEMUWBHLMD-UHFFFAOYSA-N
-A0CCBA35F09E370C_C108BD0190398E39_6029_UN,C1CN(CCN1[S](C2=C(O)C=CC3=C2C=N[NH]3)(=O)=O)C4=NN=C(O4)C5=CC=CC=C5,AQRAMBXOAQMEEN-UHFFFAOYSA-N
-A13A8DEE21497475_659B58260144FD81_6038_DP,COC(=O)C[C@@H]2C[C@H](NC(C1CNNC(C1)=O)=O)C2(C)C,DZTDGKRZQWSXRV-AGROOBSYSA-N
-A167882CF74B609C_96360C17B67BFB1F_6038_DP,O[C@H]1[C@@H](CCCC1)NC(CC23CC(C(OC)=O)(C2)C3)=O,QOBWWJLDSTXSKQ-ASNHAOSHSA-N
-A290CCC2C621FDD3_1A79C45B6C604E67_6034_UN,CC2=C[N]1N=CC=C1C(=O)N2C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl,KELJREIVPRVIQR-HOCLYGCPSA-N
-A2B2D4AFF2252193_94ECA21C212DCD93_6038_UN,C[N]1N=CC(=C1)N2C(CC(C2)NC(C4=CC3=CC=CC(=C3S4)C)=O)=O,OZDHMGDLAWCSEE-UHFFFAOYSA-N
-A2F48581A2C4D148_E82B912F0C8AF760_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC3=CC4=C(C=C3)SC5=NCCN45,MQUGYOMUBWWINH-UHFFFAOYSA-N
-A31D8B4AEE8973FF_788B45E768EF8C5A_6026_UN,CC1=NC(=CS1)C2=CC=C(S2)[S](=O)(=O)N5CCN(C3=NC=NC4=C3C=C(Br)C=C4)CC5,RZUFNRFEEIGQFL-UHFFFAOYSA-N
-A63B60D5A935772E_352E98FFFC1E2F8A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCCN(C3=CC=C(C)C=C3)C4,NZSMYHOHIMHACI-UHFFFAOYSA-N
-A6A2CA501083FF51_FF0935F273767BD6_6038_UN,O(C1CCC2CCC1C2=O)C(C34CCC(C(OC)=O)(CC3)C4)=O,HIPFTECXAHJGHO-UHFFFAOYSA-N
-A705B45D47021591_6F3A8B52B70A7C59_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,AHQICDFEVXFKJC-UHFFFAOYSA-N
-A7D0D3217D7CB181_F43D56A8BF64651F_6026_UN,CC1=CSC(=N1)C2=CC=C(C=C2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4,LGAZAQBXBVBFTK-UHFFFAOYSA-N
-A7DB64DA1B99D67D_9CC3A545A0421400_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C)C=C(C=C3)SC4CCCCC4,DKKULVJNUYTSDO-UHFFFAOYSA-N
-A90335BBA65B1174_D25A4C47A4F4A9FF_6041_UN,CC1=N[N](C(=N1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C,KFIDNERMMIKGHJ-UHFFFAOYSA-N
-A98704A08BF8B1F8_02A796C3A27B5F19_6029_UN,C1CC(=CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=NC=CS4,KRSHHONUYKQIRO-UHFFFAOYSA-N
-A992CEAA76AC392D_09B5AA4B64BB7000_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=CN=CN(C)C3=O)=O,FAQSDJPKCWPDTC-UHFFFAOYSA-N
-AB4C11306F4B16AD_0485AF047C6ADB76_6031_DP,N2C[C@@H](CC1CC1)[C@@H](C2)C(=O)OCC3=C(C(=NO3)OC)Br,PRCSQKLHFFXOFT-NXEZZACHSA-N
-ABD518E97E408AE5_F8EBC5BBF986CFFE_6041_UN,OC(=O)C1=CC(=C(N=C1)OCC2CC2)NC[C@H]3OC(N(C)C3)=O,YNPDPGQOMTZKAB-LLVKDONJSA-N
-ADA5F1860C37CF6D_ED25F92AA9F00B75_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=C(N=CC=C2)S)OC3=CC=CC=C3,XNNIIIJAAFMWMN-UHFFFAOYSA-N
-AE0E583E426006AA_C8C0D85285B5AFF2_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(N(C)C)=O,MMHHSISGCDUDME-UHFFFAOYSA-N
-AE945E89F0F9C627_FA3C70E776900BDB_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N5CCCN([S](=O)(=O)C4=C3C=CN=CC3=CC=C4)CC5,IXKZGEMHRYSZOH-UHFFFAOYSA-N
-AF1E3AA307DD22D5_7E8EC98038345143_6038_UN,CC1=C2C(=CC=C1)OCC(C2)NC(C3=CN=CN(C)C3=O)=O,ACVMJRJVHJZXMF-UHFFFAOYSA-N
-AF8CC6D041DDE238_85A697CA4F251069_6028_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NN=C[N]3C4CC4)(=O)=O,CSSLFQLDZVQXQZ-UHFFFAOYSA-N
-AF8CC6D041DDE238_F814B7967F5891B6_6029_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NN=C[N]3C4CC4)(=O)=O,CSSLFQLDZVQXQZ-UHFFFAOYSA-N
-AFF38870FDE4CC53_E893571685E5C031_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(CC)[N]3N=CN=C3N=C4)=O,ORXGWTAECDAYQA-UHFFFAOYSA-N
-B217058FF81AEB82_64DDC6261EFB0696_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4,YUASKWMCIDYJAJ-UHFFFAOYSA-N
-B2A8C88A9B8BFB4C_4C6CD3B472CA726D_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=C(C=C3)Br)C4CC4,NHGZWUUEUMQSRU-UHFFFAOYSA-N
-B35F3E45A4E02D0A_EFAE5B0EC0EA370F_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CN=C(Cl)C=C2)(=O)=O)CC3=CC=CO3)C=C4,MFNAERHUKMRFJC-UHFFFAOYSA-N
-B445148A649895E9_778954236CA5A414_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C[N](=CC=C3)=O,NRQKQTPLFZNYEL-UHFFFAOYSA-N
-B4E145BE2C7F5C4D_E74ADF75452EFB2A_6039_DP,O(C2=C1C=CC=CC1=CC=C2C#N)CC4CC3(CNC3)C(O4)=O,SGHYYTYXPGRZGD-UHFFFAOYSA-N
-B521C5D0B6821DBA_95592BC004B86468_6041_UN,C[N]1C(=NC2=C1C(NC(N2C)=O)=O)NCC34CCC(C)(CC3)OC4,CXGWIULLDCCCFF-UHFFFAOYSA-N
-B5B5CF2176121467_AFDF0153B8153230_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C4ON=C(C3=C[N](N=C3C)C)C4)=O,RKEBJIURQDYOSK-UHFFFAOYSA-N
-B5DA34645B826CD7_DA5CFDA8620CE662_6038_UN,O(CC1CC2CCC1CC2)C(C34CC(C(OC)=O)(C3)C4)=O,UWHJHJITSRPBOH-UHFFFAOYSA-N
-B6A0367C6E5B0F15_51D7E5CF30C70D39_6034_UN,CC2=NC1=C(C=CC(=C1)C)N2CC(C(C3=NC=C[N]3C)N)(C)C,YZMJAVKNRIAVJH-UHFFFAOYSA-N
-B738E12D0E45E41E_C8B304329F2B6597_6038_DP,OC1=CC(=CC=C1)CNC(C=CC2=NC=C(C)C=C2)=O,LFPURGAUDGLQDN-UHFFFAOYSA-N
-B79CAEED17468F25_753C13AEC5259099_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NC34CC(C(C)(C)C)(C3)C4,SPCHXTWULUXDRQ-UHFFFAOYSA-N
-B86A09744E3F5D57_84B5F511301494EA_6031_UN,COC[C@@H]1CC[C@@H](N1)C(=O)OCC23CC(C(OC)=O)(C2)OC3,QODMIIVAGYMOMV-VWXOLTIFSA-N
-B89BCFEF308D1477_9836C4064EF5C5C5_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=CC3=C2N=CC=C3)(=O)=O)C4=NN=CC=N4,LCLJJTUOCQEUJF-UHFFFAOYSA-N
-B9BD3397CB682F03_0D7C157386EBFA9D_6031_UN,O(C(=O)[C@@H]1CNC[C@H]1C2CCCC2)CC(C(OC)=O)(C)C,FOTJQYDRAVBHOL-QWHCGFSZSA-N
-BD10AF6584240DA2_46A7F8B590E5712F_6038_UN,C[N]1C=NN=C1SC2=CC=C(C=C2)NC(C3=NN(C)C(CC3)=O)=O,UDXPTGCWEBARLE-UHFFFAOYSA-N
-BD6E5BCC4B7B512A_D695566380E802C8_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(C=C2)NC3=CCOC3=O,ZTMUOLVUHPIOPU-UHFFFAOYSA-N
-BDF810E6B02BE3CF_DC1A7DC32DA4B7F6_6029_UN,FC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,ZCKIAJSVRSJSMW-UHFFFAOYSA-N
-BE1D78EAA8D2F4F0_9C52EB335AFCE1FC_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C)(=O)=O)CC3=CC(=CC=C3)Br,WLZYFWKEAFPUJP-UHFFFAOYSA-N
-BE9728C89A5CA6FD_BD7C2DC886501BCC_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCC(C4=C[N]3C=C(F)C=CC3=N4)CC5,SOMYYCURHMKSIB-UHFFFAOYSA-N
-BECF1D576C40BF76_22A23452A9D50B31_6041_UN,CCOC(=O)C1=C(C=CN=C1)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,HCQSGWMTTLQHAZ-UHFFFAOYSA-N
-BED15EAF6D379812_C368F818C5537DE5_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C(C)OC4=C(C=CC=C34)F,IEOZCMCJYHJUAU-UHFFFAOYSA-N
-BF819F6EA8FDEE98_C96EFB7843583A01_6036_UN,CC1=C(C=CC=C1Br)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,MTKFRWPWNSKPHE-UHFFFAOYSA-N
-C03ECF74E2493ECE_DB7BF66843D5DB27_6029_UN,OC(=O)C1=CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,FYCHQWMJGWPDTP-UHFFFAOYSA-N
-C137079DB70147A2_5C2BFC1700A3F468_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)N4CCN(C(C)=O)CC4,QLPHXBNQRKLVGK-UHFFFAOYSA-N
-C16858F1E549B62C_DA47587F1FCFD5A6_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CC3=N[N](CC)C=C3)=O,FZXRMLXFRUZFNT-UHFFFAOYSA-N
-C1E666A8DEC17FF1_3621AED48EF9015D_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OCC2F)C=CC=C3,GZHCLEQQBNWQTO-UHFFFAOYSA-N
-C24827D0561EA59E_4A8958C121D91762_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=C(C=C3)C)N4CCC(N(C)C)C4)F,GJJPFDGROITWSR-UHFFFAOYSA-N
-C2796DACC31CBF8A_EA528ACB6A0054C0_6035_DP,OC(=O)[C@H]2C[C@@H](OC1=C(C=C(CCC)C=C1OC)OC)CN2,KMILIYHQUWJYSX-VXGBXAGGSA-N
-C334DFDE29A3772D_6FE7FCEF0D369AB3_6036_UN,CC1=C(C=CC=C1Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,XPDFHKMWYWLWIJ-UHFFFAOYSA-N
-C360402DF7707007_86664172BA1E8F51_6038_DP,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3COC=CN3)=O,PNNNKCBWELFMOI-UHFFFAOYSA-N
-C428396635488FA6_69284B8C0BF844B2_6038_DP,CCC(OC([C@H]1CN[C@@H](CC1)C2CCC2)=O)C(=O)OC,WULSUOHFBXHLGV-OJRHAOMCSA-N
-C47DFD394E5396E4_8CEBE0E418F4DB25_6028_UN,C1CN(CCN1[S](C2=NN=C[N]2C3=CC(=C(C)C=C3)Cl)(=O)=O)C5=C4C=CSC4=CC=N5,BFCUHCBNEUPZPA-UHFFFAOYSA-N
-C55E044391140DAE_7112BD5CEA6ED007_6038_UN,CCCC(NC(=O)C2C1CC3CC(C1)CC2C3)C(=NO)O,LODHOOHACNUXHG-UHFFFAOYSA-N
-C599F98504CEC643_FC77C489C568F5BA_6038_UN,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,BTYIORXMJPGNBT-UHFFFAOYSA-N
-C69974C623960A2D_7CF42BB52DC20DD0_6029_UN,N(CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)[S](C5=C([S](Cl)(=O)=O)C=C4OCCCOC4=C5)(=O)=O,YKJYTHFDZMTMPL-UHFFFAOYSA-N
-C6F5A121F5D2EC6D_38BFA5BBED314CB3_6038_DP,CC[C@H](NC(C[C@@H]1C[C@@H](CN1)F)=O)C(=O)OC2CCCCC2,VBFDPUMPFJTVQF-OBJOEFQTSA-N
-C91FBFA54E061675_81BA1FA847142EB8_6006_UN,CC1=NC(=C(C=C1)[S](=O)(=O)Cl)C2=CN=C(C=C2)N3CCCC3,RFHZWJHLALTCRM-UHFFFAOYSA-N
-C98F72B498189863_D3CE2F25B42E47E7_6038_DP,OC(=O)C2CC(NC([C@]1(C[C@H]1C(OC)=O)C(C)C)=O)C2,LXEDTZNOCNNQMY-PVOJZGJBSA-N
-C9ADAB668C09CACB_FAB1CA34F9F4805B_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC=CC(=C3C)N4CCOC4=O,QNCKYLBKCVZHPB-UHFFFAOYSA-N
-C9DBE898DF46FE03_61D935C2D863ECDE_6041_UN,CC(=O)C1=CC(=CN=C1)NCC3=CN=C(N2CCCN(C)CC2)C=C3,QPYXHJTTYKIZGW-UHFFFAOYSA-N
-CA27E205A2112C6F_3F4FF47F4C5E3EBE_6038_UN,COC(=O)[C@@]14[C@@H](C1)C[C@H](NC(CC23CC(C(OC)=O)(C2)C3)=O)C4,SIFGTITVRVVLST-VIBMZYAXSA-N
-CB11C232EB646BDF_AC8FF035D223A6BE_6038_DP,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(CC3CC(O)C34CCC4)=O,CEGKKQBUSUPCGL-SJPNVSTRSA-N
-CBF2E78DFCDEC3E2_7C9FCC2E37A9A1AB_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,XJMREODJPZPYGE-UHFFFAOYSA-N
-CBF2E78DFCDEC3E2_C1E96BB659C66537_6028_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,XJMREODJPZPYGE-UHFFFAOYSA-N
-CCC0DE78F8968A07_CF7641293285363D_6038_DP,COC(=O)C[C@@H]3C[C@H](NC(C2CC(C1CNC1)C2)=O)C3(C)C,XXPFQEAKRWDAOB-OQSWDALSSA-N
-CD15AC2006E46979_0E97C39D88039A45_6003_UN,O(C1CCC(=C1)C2=CC=C(C=C2)Cl)C3=CC=C4C(=C3)N=CNC4=O,KNKUJPCVMGEXJG-UHFFFAOYSA-N
-CD1E0FD8FFA70B94_0044EDF010CE5A2E_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3OC3C4=CC=CC=C4,WPQYCAHATXIOKG-UHFFFAOYSA-N
-CD3D3B6933CE6B64_F7D7259E978900E2_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=C(C=C3)F,HROFHIJIQRWEHX-UHFFFAOYSA-N
-CDFE6A18AE5A196D_A1F5A0B56D2076CE_6029_UN,OC1=CC(=CC=C1)C2CN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CWVUYNBEUYMLPQ-UHFFFAOYSA-N
-CF32D6BB6295214E_20F1104332EC305C_6036_UN,C(C1=NC(=CC=C1)CBr)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,LTCZDLPXVUCMNU-UHFFFAOYSA-N
-CF534A88465088C3_4FF7C914C7F4A709_6041_UN,C[N]1C=CC2=C1N=CN=C2N[C@@H]3CCN(C)[C@H]3C4=CC=CC=C4,UBVGTDSWJHFLAB-CVEARBPZSA-N
-D02303D48902A9A0_C50F8CD82FA92E39_6038_UN,CC1=CC(=CC=C1)SC(C2=C(C)N=C(N=C2)C3CC3)=O,DPSJXIWKZFBLMP-UHFFFAOYSA-N
-D0FC412E789E4EAB_E928475968339DEB_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC(C(N(C)C)=O)(C)C,SFUQZLFXJPKURW-UHFFFAOYSA-N
-D15C27805C8019E9_74FE11CA7171B43B_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)N[C@H](C)C(=O)N(C)C,SMDNXCJCHIVKAP-LLVKDONJSA-N
-D45E619574A2F6C2_6F3523E9E36B4CC0_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=C(C(C)=O)C=C3OCCCOC3=C4)(=O)=O,BUHUQBWNIBTLPR-UHFFFAOYSA-N
-D7F8A1B3F5685233_04587DEA29D991CF_6029_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,CRHDYIAPDVLEOI-UHFFFAOYSA-N
-D87D3EDA2CBBFD2A_1176C3FD52889354_6041_UN,CC1=NN=C(N=N1)C2=CC=C(C=C2)NC3CCCN(CC(N(C)C)=O)C3=O,ADEPRHYHYICRFD-UHFFFAOYSA-N
-D9432354D0711C96_82791458F88BD5F1_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCCC3)C(=CC=C4)F,PVZCRUQWYJUGEG-UHFFFAOYSA-N
-D94BD4DC3A90C8DE_970A10B1D2C74CD4_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C[N](CCC)C=N3)(=O)=O,DEUHLAUOYVGPJP-UHFFFAOYSA-N
-D9A5FDC7B7A43FEF_05C5A080FEFCC44B_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=CN=C[N]2C)C3=CSC4=C3C=CC=C4,GGKGKKSXEDZUBY-LLVKDONJSA-N
-DA511AD671CD6ACB_39C403ED7F4EAC90_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)N(C)C,XHQKAOVMUMKEJP-GFCCVEGCSA-N
-DB6830CB065C52E2_8BCDEF8D4C26A242_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LCDQASQNDCJRNX-UHFFFAOYSA-N
-DC0A4C332C22E835_70252630AA52A71B_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=CN(C)C3=O)=O,RTTKCDZMIAPMPF-UHFFFAOYSA-N
-DC27E20BBD456B85_130F11759EB9417D_6038_DP,CCC[C@@H](NC(C1CCCC1C2CCNCC2)=O)C(=O)OC,KFOMOKXMPAGKPT-YMAMQOFZSA-N
-DC7028BDD33CBF11_A2CCED7BF918DE3B_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C[N]3C)CC4)Br,WFNSAIZRHUHHRV-UHFFFAOYSA-N
-DC867B5A70A291E9_9F3DFDA9CCCA21C0_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C(C)[N]3N=CN=C3N=C4)=O,QFGUWYLOKPHWOG-AWEZNQCLSA-N
-DD131CEDB903B96C_9C6A185C3B675B07_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(N)[N]3N=CN=C3N=C4)=O,PSRWUJVRFKXNAT-UHFFFAOYSA-N
-DDED60ED585E97D7_EFEFB0438AEF8E66_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C4ON=C(C3=C[N](N=C3C)C)C4)=O,OOCZAWCOTBVJDN-UHFFFAOYSA-N
-DE6EB659295070F4_7745B35D4547AF9F_6029_UN,CC3=CCC(N[S](C1=C(F)C=C(C=C1)C2CC2)(=O)=O)CC3,FZRPDJFLNQWSOU-UHFFFAOYSA-N
-DF40F66D4ED0D5C3_998AC59BD902B0C2_6038_DP,C[N]1C=NN=C1SC2=C(C=CC=C2)NC(C3=CCNC3)=O,ZXQJHDBKQKKLLE-UHFFFAOYSA-N
-DF5A803510E3C63B_C089A9B8F9C9270B_6029_UN,C1CC(CCN1[S](C2=C(CC)C=CC=C2Cl)(=O)=O)OC3=NC=CC=C3,QUTCBIVGZQIXLU-UHFFFAOYSA-N
-E1005DEECCC2BB0A_A4B31093629E7453_6038_DP,N(CCCC1=N[NH]C(=C1C#N)N)C(C2(CCCNC2)F)=O,YIWHILAOQYXDLR-UHFFFAOYSA-N
-E19B39618668803E_F00080C3A5E60545_6038_UN,NC(=O)C1=CC(=CC(=C1)NC(C2(C)COC(=O)OC2)=O)C(=O)N,DKAWSBGQRVWCKI-UHFFFAOYSA-N
-E1DBBE1F2B50408B_31B16DE6FC30D923_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C)C=C3)C(=O)N4CCOCC4,FTQYQXQKRLCCAG-UHFFFAOYSA-N
-E26393529F66198D_ED7C8B5D77A0C75B_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)OC3=NC=CC=C3,HNMPRGGYGWVIIY-UHFFFAOYSA-N
-E2AFA06EF29C997C_EE20E3445129A73A_6039_UN,O(CC(F)(F)Cl)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,BXVORWCHCVLZOZ-UHFFFAOYSA-N
-E2BFC8F58E7B8E7B_A5F0F06057582F36_6039_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)CC4=CC=C(O[S](F)(=O)=O)C=C4,BJCSOABPXVSGJP-UHFFFAOYSA-N
-E40643EA977F7F86_A425D74A5F1076E6_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C(CC3=NN(C)C(C3)=O)=O,XTNQFADXQSBVQD-UHFFFAOYSA-N
-E437734BEFB76853_7AA0339E8CCFF00B_6038_DP,CC[C@H](NC(C1NCC1C)=O)C(=O)OC2CCCCC2,AXOLWOCYMJTAKZ-YDGIUTOCSA-N
-E5C3A83E2D035EC5_7A107069C4219946_6035_UN,CC(=C1C(=NC(=C1C)C)C)OC2=C(C)C3=C(C=C2)C(CO3)=O,ONRHPIRKDVDHQQ-UHFFFAOYSA-N
-E60FED70D1DDF040_B0FEDAECBEEA7A0A_6041_UN,CC(=O)C1=CC(=CN=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3,OPRGXJJFPINFBI-UHFFFAOYSA-N
-E63CA0C04B67E0A8_336C2E29076DDD25_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=CC=C3C)CC4,JZVSMKKMTVLXDX-UHFFFAOYSA-N
-E66AC10A06A846B3_4A945690BBF7A1E3_6038_UN,CN(C)CC1=C(C=CC=N1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CUCJEYBZCZFPFD-UHFFFAOYSA-N
-E75ACEC81BAB28F6_5DE400BF6D8F4513_6038_UN,COC1=C(C=C(C(=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O)OC,XOJFYYKPIMCGJK-UHFFFAOYSA-N
-E84B32ECAA5C4E48_D46195E17E9EF8F9_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OC2)C=CC(=C3)F,BRWUASKIMSYMPT-UHFFFAOYSA-N
-E8C5731D3D4EDEBB_6BF05BE5EA1899BA_6038_DP,CCC(CNC([C@@H]1CCO[C@H]1C2CCNCC2)=O)C(=O)OC,NZOTXJPHTUREMI-WLPIGLKUSA-N
-EA5EEFA2866D8248_95AC67D95D4652C2_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,VUXJDKYQOUZNMG-LBPRGKRZSA-N
-EAC4C6503477B3EC_CC2677E5A2E6C5C0_6041_UN,CN(C)C1=NC3=C(C(=N1)NCCC(N2CCN(C(C)=O)CC2)=O)C=CC=C3,BWVGRJYLFHZOFY-UHFFFAOYSA-N
-EB393D1FCA7F2A61_5B3DEC7FDE1D0827_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C[N]3N=CN=C3N=C4C)=O,BMGOGVIZSYOGNT-AWEZNQCLSA-N
-EB4D7B1D31DCF3E5_733E389E3B8F6A74_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,GZGUJILUAGJJJT-UHFFFAOYSA-N
-EC28DE3AC70F3D4C_C840F7E03E8F4F74_6041_UN,O=[N](=O)C1=CC=C(C=C1)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,GOOXIJGCKAKLOD-UHFFFAOYSA-N
-EC4BCDF27C500CF5_9A34DCDA909716B8_2201_UN,CC(C)SC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3,NGRWHDRTEGONMK-UHFFFAOYSA-N
-EE84D181C8FEA34C_8D76C77064E9F0B2_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3[C@@H](CNC3)C4CC4,WMFCKUUCTJAZIM-JSGCOSHPSA-N
-EF6672CC95D52E6F_63444F89FB5359B3_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C4C=CC=C(C)[N]34)=O,AQTOEEOKUIIWGA-MRXNPFEDSA-N
-EFB4EA33B9B2452B_1BB36AB363D35150_6041_UN,CC1(CC1)C2=CC=C(C=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,YCEXZOGBBXVNDZ-UHFFFAOYSA-N
-F0251BD70799673C_E308D6C980C96FB7_6028_UN,BrC1=C(N=CC=C1)C2=CN(N=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,CBWBVXJCIJKXHK-UHFFFAOYSA-N
-F064A488849538E6_709941F734E540C4_6029_UN,C1CN(CCN1[S](C3=C[N](CC2=CC=C(Cl)C=C2)N=C3)(=O)=O)C5=C4C=CSC4=NC=N5,PTFSWHOHIFCVNI-UHFFFAOYSA-N
-F14B5A822F2D0356_1A59D8E7933B3725_6029_UN,FC1=CN=C(C=C1)N2CCCN(CC2)[S](C3=CC=C(C(C)(C)C)S3)(=O)=O,VRUGIRWOMVESPA-UHFFFAOYSA-N
-F351BF4D51CCE1C8_CC8F5DA2C58487FB_6038_UN,CCC(NC(C12CC(C(OC)=O)(C1)C2)=O)C35CC4CC(CC(C3)C4)C5,FZVATDAUKMJHBR-UHFFFAOYSA-N
-F41994CF122BC10F_7101B721EF6DCB00_6038_UN,CC3CC(C)CC(OC(C1=CC(=C(OC)C=C1)C2CC2)=O)C3,FLHYKFFRHNBAGI-UHFFFAOYSA-N
-F620CE9AC290C4F4_545C5EA6F4C28EAA_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)OC3=NC=CC=C3,SWJGJOYWWGRMMR-UHFFFAOYSA-N
-FCDEF945EBA55703_4EAB70F0294CBBA4_6038_DP,OC1=NC(=CC=C1)CNC(C=CC2=NC=C(C)C=C2)=O,IPSOZAYAAKKQQF-UHFFFAOYSA-N
-FD315557DB441878_82C4B63692F2EC2C_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,VUXJDKYQOUZNMG-GFCCVEGCSA-N
-FD9668B95F48CF57_696FB561460D825A_6038_DP,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C=C3CNC3)=O,MAJWJSWDEVRGBX-UHFFFAOYSA-N
-FE87BDB9DA66F07F_CAA20C9E33BD3CFD_6036_UN,CC1=C(C(=CC(=C1)F)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3)I,SUWGCJXNRZKTOH-UHFFFAOYSA-N
-FEA06AFA7E4854DF_C488C2F7C675110C_6029_UN,C1C(CN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)OC3=CN=CC=C3,WJWIFVQAKAFROG-UHFFFAOYSA-N
-FF84B572D2779F30_427263DFE66356D5_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C=CC(=C3)C)[N]4C=NN=C4)=O,VHXVMMLBCHAJIX-UHFFFAOYSA-N
-rxn:1:12278:63945,N#CC1=C(N2CC(Cn3cc(-c4cc(Br)cc(OS(=O)(=O)F)c4)nn3)CC2=O)CCC1,LTTBIDSQLPHGEX-UHFFFAOYSA-N
-rxn:1:60020:14827,N#CC1=CC(n2cc(CN3C(=O)SC(=Cc4cc5c(cc4Cl)OCO5)C3=O)nn2)CC1,ZNFZZZBUXOAYBG-UHFFFAOYSA-N
-rxn:1:701:55134,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC2CC2c2ccc[n+]([O-])c2)nn1,YYKOKQSLCVLORP-UHFFFAOYSA-N
-rxn:1:701:58465,N#Cc1ccccc1-n1cc(CN2C(=O)COc3cc(F)c(N4C(=O)C5=C(CCCC5)C4=O)cc32)nn1,CIQPZHFNQNVRHB-UHFFFAOYSA-N
-rxn:2:103183:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2c3ccccc3OCC2OC2CCC2)cc1,SIYILXHGXKJNRD-UHFFFAOYSA-N
-rxn:2:106594:161135,CC12CCC(F)(CC1Nc1cc(C3C4CC5CC(C4)CC3C5)n[nH]c1=O)C2(C)C,BRAGKTLWYGLEDR-UHFFFAOYSA-N
-rxn:2:120312:123461,COCC(ONC1CCC2(CC1)C(F)(F)C21CCC1)C1C2CC3CC(C2)CC1C3,KTBPDPQAJSBHSS-UHFFFAOYSA-N
-rxn:2:128803:133935,COC1CCCC1N1C2CCC1CC(N[C@H]1CC[C@@H](CN3CC[C@H](F)C3)CC1)C2,SDXZETZPWFNHPA-KORVLBHASA-N
-rxn:2:69415:78354,CC(C)c1cc(NC2CCN(c3cc(N4CCN(C)CC4)ncn3)C2)ccc1OS(=O)(=O)F,VNYAJRGLZZIZMZ-UHFFFAOYSA-N
-rxn:2:77030:126514,COc1cc2c(cc1OC)C(NC13CN4CN(CN(C4)C1)C3)CCC2C,YYZRYEODNBXHKK-UHFFFAOYSA-N
-rxn:2:83811:101723,CN1[C@@H]2CCC(NC3(CS(C)(=N)=O)CC(F)(F)C3)[C@H]1CC2,CSBYZXRFLAJMCM-AHTQMJGPSA-N
-rxn:2:84753:151416,CS(=O)(=O)c1ccc(CC2CCC(NCCc3cc(C4CCCCC4)ccn3)CC2)cc1,DPJGSPAPFJIUCZ-UHFFFAOYSA-N
-rxn:2:88900:125965,COc1ccc2c(c1)C(N[C@]13C[C@@]4(C)C[C@](C)(C[C@](C)(C4)C1)C3)C(=O)O2,DKIIQXNTPFWCFR-FZISXWRSSA-N
-rxn:2:93814:104936,CC(C)C(NC1c2[nH]ncc2CCC1C)C12CC3CC(CC(C3)C1)C2,VLOVUDSYEBCKOY-UHFFFAOYSA-N
-00BF8E1C289C5970_6A0695D1B8575123_6029_UN,N(=C(N1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC4=C3C=CC=N4)(=O)=O,AZZIGCLNSWJBOG-UHFFFAOYSA-N
-020529438838DB51_C92574DC5F666BC4_6038_UN,N(C1CC(N(C1)O)=O)C(C2=C(C)[N](N=N2)C3=CC(=C(C=C3)F)Cl)=O,BTCFIEMQPRDQPE-UHFFFAOYSA-N
-0363490F846F1E12_D09F6AB3EFEBCE8B_6038_DP,CN(C)C1=CC(=C(C=C1)NC(CN2CCNCC2=O)=O)C,CXTDOGVOAZNURO-UHFFFAOYSA-N
-08E0FCC1E321E102_7F524E4DBF3E3559_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,WETMMHBSZSAGRP-UHFFFAOYSA-N
-092498B4E8360AA2_3CC905A3D000B864_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)F,UZEALBURHCVVOP-UHFFFAOYSA-N
-09ED26597BFB93CD_89FE63918C430285_6029_UN,N(CC1=CC=C(C=C1)C2CC2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,BLMCYDPWIQKIJV-CYBMUJFWSA-N
-0A0C4AD00227FDC2_C53F0F2E303B33A6_6038_UN,CN1CCN(CC1)C2=C(C=C(C=C2)COC(=O)C3=NC=CN4CC[S](=O)(=O)N=C34)F,WNYVIPGBUIHSLD-UHFFFAOYSA-N
-0BDD0AFBD6B19AE2_F097B44A938A9727_6035_UN,O([C@@H]1COC(=O)C1)C2=CC=CC(=C2)C3=C(C)C=CC=C3C,WLWWHZOGYWQNLZ-INIZCTEOSA-N
-0BE598604BBB461E_1C66DD8E1279FEB8_6041_UN,CC1=C(C=NC(=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,TUNMJZIWBGWZSH-AWEZNQCLSA-N
-0DA7E88DB2B8C2EE_84D30217B56B6728_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(OC)C2=C(C=CC=C2)F)=O,IBBBLTWBQKIYQE-NUHJPDEHSA-N
-0DC6263F4C96C41E_7B9F08EFCFC55F09_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,ZXIAWFCUVXKQSO-UHFFFAOYSA-N
-0F6A81E06163EB00_0E92295ED1FC3CC2_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=NC=C[N]2C)C3=CSC4=C3C=CC=C4,WFCTVHGXELEUPK-LLVKDONJSA-N
-0F72FBE2D9E02A6F_3C32984756F13181_6004_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3,LTOIMSRVMUBNGF-UHFFFAOYSA-N
-0FF0C585D0FBA83E_45B933ECCCE08A27_6029_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,CFCOMUVLFIBKBY-NXVRBGIVSA-N
-1375CA8C191A08A4_8384EF2200718496_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCC)C=C2)OC,FBTVSPQICCTXLZ-UHFFFAOYSA-N
-13C8B0DFF1994D11_A859C3F8C5BA6FB2_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2C)OC,HAJZBAZCRHAWCM-UHFFFAOYSA-N
-161F29864E4CB3D8_20098EEFEEC34BB5_6029_UN,C#CC1CN(C1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,HWQKUIDMMFYFJY-UHFFFAOYSA-N
-163EEAA0F500A216_E1E51578E2531864_6038_UN,O(CC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,XUTSIWWTZZSPSB-UHFFFAOYSA-N
-16E223C93740C998_0C13DCA6560EBEF8_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,CHNLDSVGWOUJIO-HOMQSWHASA-N
-16E35C14A34B1A12_4A367EEE7A7F49E4_6038_DP,CN(C)C1=C(C(=CC=C1)NC(CN2CCNCC2=O)=O)C,XLTGGTCDPZPIPK-UHFFFAOYSA-N
-1A34D240C98C2AF2_C99C4567E220CD2C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C)(C)C2=CC=C(C=C2)[N](=O)=O)=O,GZCHZFUBQMMEJA-NSHDSACASA-N
-1B2F2CE050932143_AF1CF1E7E5F96D39_6038_UN,CCOC(=O)C(=CCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)F,LNFJDOZBFZMGIJ-UHFFFAOYSA-N
-1BCD0A776196D295_497FEAF2421C45B8_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C(=C2)C)C,BKPLNHRQQGXQPR-UHFFFAOYSA-N
-1C4233847B08A75A_A5ABEDE21C6A649C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=C(OC)C=CC=C2)=O)=O,MJTBQNCKEOPBCA-VIFPVBQESA-N
-1C8C604A77A41556_8B4FFED4E80E715F_6029_UN,N([C@H]1[C@@H](CCC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(SC)C=CC=C3)(=O)=O,NIZXYASOCBZBCB-JKSUJKDBSA-N
-1E057E8F840D9308_1D07EAD4F7DCBAFC_6038_UN,CN(C)C[C@@H](NC(CN1C(CN(C)C1=O)=O)=O)C2=CC=CC=C2,MZIDBDOZZVEEFC-CYBMUJFWSA-N
-1E8EFD1764B36371_4283F4A0AD0DFF73_6035_UN,CCC2(COC1=C(C(CC(C(OC)=O)=O)=O)C=CC=C1)C(=O)NC(=O)NC2=O,ZLHIENNTFJNKMJ-UHFFFAOYSA-N
-1E9F8B01B65DA737_BF4F237167C72FA5_6029_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,UILLOJWBABAMPI-UHFFFAOYSA-N
-1EF8E35EB72D721D_CBE8261A6D38B3A2_6028_UN,BrC2=C[N]1CCCN(CC1=C2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O,QGXGUVYPUKNYCR-UHFFFAOYSA-N
-200B2E54084F1AA5_E12DA6904872AD3E_6029_UN,ClC1=C(C=CC=C1)CN2CCN(CC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,UFWSMCSHARRVGA-UHFFFAOYSA-N
-21C352940AA05C34_68D9625867D9A4B1_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O,RWZGTYPFDDQMBH-UHFFFAOYSA-N
-228A69CE71A6F9B4_4F99A1D1334EA1B1_6029_UN,IC1=CC=C(C=C1)N2CCN(CC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,HOJVBPSURBBIMJ-UHFFFAOYSA-N
-22BD2D88F63D7F65_1CE7C03D568C11A4_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,DUJDUMYKFPCMQT-UHFFFAOYSA-N
-22F3C0D05C6A5138_AFF1C1732DE182BC_6029_UN,N(CCC1CCC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,FUAXCCIBUXTKFR-UHFFFAOYSA-N
-254CD5C8CE100AC6_C13C77A44BAF390D_6038_UN,N[S](=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=CN3C2=NCC3)F,UUNFIQILKSMKTN-UHFFFAOYSA-N
-266B1CB5728B842F_8CD23088874AB847_6038_UN,CCOC(=O)C1=CN=C(C=C1)N2CC(OC(C=C([P](CC)(=O)O)C)=O)C2,BABMEUZTMNLXGP-UHFFFAOYSA-N
-28CFCB6FF0473451_B3458DB5026B647D_6029_UN,C1CN(CCN1[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=NN=CC=C3,QSQFMJQVWLEQDK-UHFFFAOYSA-N
-2B22648556D1F9B8_B0909F8ED02CE28B_6026_UN,[S](=O)(=O)(C1=CN=C(C=C1)Br)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,GZEKHSNIWBZGTB-UHFFFAOYSA-N
-2B2AF22E1B393041_54A45C5D9D7BED46_6029_UN,FC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C=C(CO)C=C3)Cl)(=O)=O,LBVNIKFAGGRUPI-UHFFFAOYSA-N
-2C61A51FEB2016C8_F8ACEFD1BF027B96_6038_UN,N(CCCCCN1C(C=CC1=O)=O)C(C2=C(N(C)C)N=CC=C2)=O,UBLFNNSNBXDOGF-UHFFFAOYSA-N
-2CD6A8530076C0ED_B536EC994352CB13_6038_UN,CN(C)C1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,FIQIKCSVYBPXNK-UHFFFAOYSA-N
-2D2BDDF9C3255F8E_1857F74E71961B3B_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C)C=CC(=C4C)[N](=O)=O,FOQDQMFCGOMMKG-UHFFFAOYSA-N
-2E78BA99EF74897E_CF8CFB0A5C33F13B_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,KTFMANHPXUKNLM-UHFFFAOYSA-N
-2F04E02232E262B2_38EF7B1BE411E827_6029_UN,ClC1CN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,JUTIUAUCCCUKIW-UHFFFAOYSA-N
-2F831081E6E81A46_2E2B943CED2AB269_6038_DP,CN(C)C(=O)C1=C(C=C(C=C1)NC(CN2CCNCC2=O)=O)C,MAMJEFIYUISEEN-UHFFFAOYSA-N
-300ADBBC3C7B0BFE_45920DE692A59FFB_6038_UN,CN(C)CC1=CC(=CC(=C1)C)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,JCOOHUGUUCVQRV-UHFFFAOYSA-N
-31D95A9083C6C234_40943817E43B915F_6029_UN,N(C1(CC1)C#C)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,SUQHMFASTAYQMI-UHFFFAOYSA-N
-32F185752E8E10B3_B30FE896D578CD4D_6041_UN,CN(C)C1=C(N=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,BSJXSWFOXWYFBY-ZDUSSCGKSA-N
-34C74740A6572873_0D7CC252D486C2C0_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=CC(=CC(=C4)F)[N](=O)=O,VAIBYBSUMONLGU-UHFFFAOYSA-N
-3712C9C63D03A101_4473DC5A6C2BF4B2_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)N[C@@H]([C@H](CC)C)C(=O)OC(C)C,SGMRFHDJYAGOTB-KXBFYZLASA-N
-37543D0B2AB4101F_4A1419032D6C47CB_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,DVODUMKWMXUMNU-JLIMDTESSA-N
-3A5DA70E6DF1C3CA_96A57083D08BA1DF_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,YYMYNILJSOYLLD-JLIMDTESSA-N
-3B5E88F167C9E5F0_45FF084D67643167_6029_UN,N(CCC1=C(C(=CC=C1)F)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,NUEWHQNSCWSXSK-UHFFFAOYSA-N
-3C798F7C0EF82247_FFC9D4C870BCCBF4_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)C4CC4,BYTPAWKOJHHJBY-AWEZNQCLSA-N
-3C8D0F0B0A971B82_28DE6B6E6E3B279F_6028_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,MKGUNDDMYPZKGV-UHFFFAOYSA-N
-3D08E4D094F9C6F6_EB065DD3913945BD_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(N=C(C)C=C2)C3CC3)=O,XQSKDILVUAUNNE-UHFFFAOYSA-N
-3DA03DD763070896_BC4706B7A0070D7B_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C(=C2)C)C,JSTMDUFEVMHGDB-UHFFFAOYSA-N
-3DF180173D0C2998_6C36F6BC046B8D98_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,RSJIZXFQSLYSMM-HOMQSWHASA-N
-3E54FB649FA5F661_2A3095FBB4E1BD74_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3ON=C(C)C3)=O,OGSLMBQNJUNHFB-KWCCSABGSA-N
-3EC20C5217C7BA57_77C8B4E02293DB1E_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2[N]3N=NC(=C3)C4=CN=C[N]4C,KIZJCBXVHIGBAE-HNNXBMFYSA-N
-3F2C2E209362B6DA_1BAF21451E8E962F_6038_UN,O(CCN1C(=O)CCC1=O)C(CCC(NC2=C(C(N)=O)C=CS2)=O)=O,YSBXRRPNOIRIMA-UHFFFAOYSA-N
-3F45F73B049B9A08_9814900DD85289A5_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)[S](C)(=O)=O,UBPRSQAIHVNZDX-UHFFFAOYSA-N
-3F830F9ECE66965B_5D21A1CF7FD67BF4_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,LQRFJOPRPGCIKI-UHFFFAOYSA-N
-3F8860F92047D3ED_99A1644B11C4AE24_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2F)C,ASDDOKDXXDUNKL-UHFFFAOYSA-N
-40C2FEFC00D346AC_051446BA45A7FD4E_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(C=C(C)C=C3)CO)(=O)=O,ZHBJRZNZYDIOHU-UHFFFAOYSA-N
-41396938376DE11E_A34D011A92CC400C_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OCC)C=CC(=C2)Cl,NVIJPFVUDJVQIZ-UHFFFAOYSA-N
-41647BB349244F8F_50BF7A329F4D0E25_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC(C)CC3=CC=NC=C3,YUICZLNAZZCENS-UHFFFAOYSA-N
-47D433D59B97F5CF_D1A135297477AA59_6038_UN,COC1=CC(=C(C=C1)OC)NC(C2N(CC)C(CC2)=O)=O,SJEQALBRZBHLMA-UHFFFAOYSA-N
-490823F710978CE7_8706432C5C123025_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C[N+](C)(C)CC(=O)[O-])=O,BDXVHJJGHMTZNX-UHFFFAOYSA-N
-4B712A09BAE508B3_1AAC4E85427F6B71_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3ON=C(C(C)C)C3)=O,QSEPNZBNFLDTOM-LBAUFKAWSA-N
-4D60E470EB3E43CE_71928A873CEC54E2_6041_UN,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NCC(=O)NO,MPZYVKLXHBUYFA-UHFFFAOYSA-N
-4FE8533162D875E9_37D94637F8B61B66_6038_UN,CN(C)C(=O)COC1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,SWLFYKUJKCFRER-UHFFFAOYSA-N
-511BE93BC9E13C65_2A3844EC136F6B60_6041_UN,CC1=C(N=CC(=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,NUPODKQTRYSHDR-HNNXBMFYSA-N
-5355F98913BA5BC9_6E8A5397F0BE19CF_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CO)C=CC(=C3)Cl)(=O)=O,PWHFPRGTZWCGPA-UHFFFAOYSA-N
-53646BF4BA4CFD06_3BD3A2115EE23CFD_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCCC(C)C,FAHVCFNJKJIVIY-UHFFFAOYSA-N
-53735178A76CF6B5_F653C30BF22A21FA_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OC)OC(F)F,RNBQGTHYWGODLC-UHFFFAOYSA-N
-53EAC873C6DD1211_353CAD1CD5500C38_6038_UN,N(C1CC(N(C1)O)=O)C(C2=C(C)[N](N=N2)C3=CC(=C(C=C3)F)F)=O,GBMKVIRJDIWVSY-UHFFFAOYSA-N
-546F778523A08B6B_6637386155833A3D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CN(C2)C3=NC=C(C=N3)F,QJMPXJPMDGADES-UHFFFAOYSA-N
-55BE81820C32C929_B858DBDE93DE65E3_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,XLPXFBNXHDGCGS-IAQYHMDHSA-N
-56278D8A7F587624_9BB2978F4F253A85_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(OC)C3)NC)=O,XRHGCTBKHJFJEF-UHFFFAOYSA-N
-572F536E0487BC7A_0563D1A08353847C_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)CCO)(=O)=O,DDAQROHIGJJBHL-UHFFFAOYSA-N
-57FAD50F75E10EF6_53D2F72FDC83FD6B_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=CC(=CC(=C4)I)[N](=O)=O,GAVZWKZJOSSZMZ-UHFFFAOYSA-N
-5EBA6BB3E491E120_744F41C6FBA23040_6038_UN,CC1=CC(=C(C=C1)NC(=O)C2=CC=CN3C2=NCC3)[S](=O)(=O)O,LTLRNOAKWXQAHE-UHFFFAOYSA-N
-5F3216984586DE3E_79F822E064D5D82E_6029_UN,OCC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCCC3)C#N)(=O)=O)C4=CC=CC=C4,MHHCYWZWPPZBFO-UHFFFAOYSA-N
-5FBCF049A0036F40_B6AF5833B7EDFAB1_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,UYOJRMVPLFZUPA-UHFFFAOYSA-N
-613D25793E99EC4E_5168E840618C3D3B_6028_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,WIBARVUVVNVDOO-UHFFFAOYSA-N
-619FC9B6EDE2691F_EED4081A99EAFD2B_6029_UN,N(N1C(CC1)=O)[S](C2=C(C(=C(C(OC)=O)C=C2)F)F)(=O)=O,LMRNMIDEHKMQMQ-UHFFFAOYSA-N
-61DEC5550E2C2CA3_E15195F828ED9F06_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)C)OC(F)F)C,LLNBISYTICLOAH-UHFFFAOYSA-N
-61E6D381390A06A8_C7A903746B2E4223_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,BOZUKNJOYCUXTR-UHFFFAOYSA-N
-624E48C8AD81E7DF_6EA10C4F51A48E7C_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4)OC5=CC=CC=C5,CTJMTOMNOFQUPR-UHFFFAOYSA-N
-62B554E7AF62FE69_272909217FFAD714_6027_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC=CC(=C3C)C)(=O)=O,SPNNQKATIJGFDL-UHFFFAOYSA-N
-62B554E7AF62FE69_272909217FFAD714_7015_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC=CC(=C3C)C)(=O)=O,SPNNQKATIJGFDL-UHFFFAOYSA-N
-62FF2C76A96022B9_36580DAA18C81A00_6029_UN,BrC1=CCN(CC1)[S](C2=CC=CC(=C2)OCC(C)=C)(=O)=O,SLNITJBRWWNWOC-UHFFFAOYSA-N
-63298B9A7280F28E_A7E0BC51484AF30B_6029_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,XNJPRNZPNAFPMU-UHFFFAOYSA-N
-647F6F662BE42706_1B153A4866409375_6029_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,VXLXWFSOGSBDSW-UHFFFAOYSA-N
-668EEDE0F2821AD5_273B15D8C14C14A2_6029_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,FWUPJTFBZSUASU-UHFFFAOYSA-N
-66C0014DE6BF9AB6_F6DC03586E6C4888_6041_UN,CC1=C(C=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,MGQSIROEVJGXFT-LBPRGKRZSA-N
-66D38C1BDDA633E3_724711F4305132D5_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(CC(N(C)C)=O)=O,BFMSNFXGFJORKV-UHFFFAOYSA-N
-681FB181C03B4B4C_0A276B938CE0686A_6029_UN,OC(=O)C3=NOC1(CN(C1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O)C3,KOYHLTYYZCYMTA-UHFFFAOYSA-N
-696B848AC4789CB7_067C627B92DAE7E2_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(C)C=C2OC(F)F)C,LSWQDNAEZYHAEZ-UHFFFAOYSA-N
-6A5B97AB1033BD77_34C6E9C3B8A14728_6038_UN,CC3OC(=C(OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)C3=O)C,SCNAVVNLUCNQEX-VFVWQQSLSA-N
-6B23C18ABF497F52_24FE617AB804EB0E_6029_UN,FC1(CCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C#C,LYLAKSGVOSYYLN-UHFFFAOYSA-N
-6B23C18ABF497F52_32B0CBFDB001808E_6028_UN,FC1(CCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C#C,LYLAKSGVOSYYLN-UHFFFAOYSA-N
-6B3147DE31BE6C6A_E4D3EEEFB6CC8435_6004_UN,C[N]1N=CC2=C1N=CN=C2C3=CC4=C(C=C3)OC(C)C4,ADCAQXZFJJMOSE-UHFFFAOYSA-N
-6B5C0DF155EFFB93_1242BC61902F867E_7015_UN,OC(=O)C2=CC1=C(N=CN=C1Cl)N(CC2)[S](C3=C(C)C=CC=C3)(=O)=O,BYVFALVIZXSYPR-UHFFFAOYSA-N
-6C5DFEA0B019A7A3_FF206B507F443AEE_6038_UN,N(CC(=O)C1=CC=CS1)C(CCCN2C(CN(C)C2=O)=O)=O,UMCOQFHHIBUUNP-UHFFFAOYSA-N
-6C6D99F9EBA697EE_A794B8F0B9633161_6038_UN,CC1=C(C=CC(=C1)F)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NHSWUFQBJJAHEG-UHFFFAOYSA-N
-6E0136E9B9BF9E2B_BE7F0F0F9A6B4EFA_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,JXCMIDUUIUOMEG-UAPYVXQJSA-N
-6E44CBD523A5DFF2_AFFB986582791987_6028_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CC=CS3,UAXRHRPKHWUYRR-UHFFFAOYSA-N
-6F8558FDC495DCB2_47FD8DBAAC9AFDAD_6034_UN,CN(C)C1CC(=O)N(C1=O)CC2=C(C(OC)=O)SC=C2,ITQPZRGAIMLUAP-UHFFFAOYSA-N
-72E2150807859C21_C64BAA467F957770_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(CN(C)C(=O)C)=O,ZJHCABVTDYEQEF-UHFFFAOYSA-N
-7445C7844B229F97_75C8C5125DB1CDFD_6029_UN,C1=CC(=N[N]1[S](C2=C(C=NC=C2)C3CC3)(=O)=O)C4=CC=CC=C4,NHJKLVIVPDPEAW-UHFFFAOYSA-N
-759F759CDD0F86D5_0390A68D6B960403_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,PQXMPNWJNHGBET-UHFFFAOYSA-N
-77111BC888C6B069_EEBE0FCE1C2C9BF5_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCC3)CC4=CC=CC=C4,KKZDYBXGUNICHA-UHFFFAOYSA-N
-77B8B7A6894E367B_75AD1EE3A67A961A_6029_UN,ClC1=CC(=CC=C1)CN2CCN(CC2)[S](C3=CSC(=C3)C(C)(C)O)(=O)=O,IXHOPBFRFKCSDE-UHFFFAOYSA-N
-77EC565B9D28F7BA_1DADCBC6F07A5669_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CS3)C)(=O)=O,GJQJTFSGPUSZSC-UHFFFAOYSA-N
-77EC565B9D28F7BA_38E9053830BB33FE_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CS3)C)(=O)=O,GJQJTFSGPUSZSC-UHFFFAOYSA-N
-7A09D0BC948A251E_272C6FA0A711B0A9_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)SC,CILZLICWBHEVER-UHFFFAOYSA-N
-7A5D113A53B0B0E5_F937E07843866F61_6038_UN,CN(C)C[C@@H](NC(CCCN1C(CN(C)C1=O)=O)=O)C2=CC=CC=C2,XNWAKSYSKOPLBW-OAHLLOKOSA-N
-7B52D180BE830079_F24936C0A5619BE9_6035_UN,COC(=O)C(OC1=CC(=CC(=C1)Br)OC)C2=CC=CC=C2,NJOQBKGPRAARII-UHFFFAOYSA-N
-7B6329148C4BBE7A_7C9F3D3E0D932397_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2[N]3N=NC(=C3)C4=NC=C[N]4C,KXTXMYOBEBJUCN-HNNXBMFYSA-N
-7B985134E6F41495_0695164A4458E89B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(OC)C2=CC=C(C=C2)F)=O,JKASQFNXMKELCD-NUHJPDEHSA-N
-7BF5D61AC41F4ABB_5B3B298874A2EEE3_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CO)C=CC(=C3)F)(=O)=O,NLHJHKHCYSPFGU-UHFFFAOYSA-N
-7C889F3B5C1C8C0C_86BAEBE86881A1B1_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=CC(=CC(=N4)C#N)C)(=O)=O,QVDRQSRWTDJWKK-UHFFFAOYSA-N
-7D3B013466BA0BF1_F93A996E7E5E26EB_6034_UN,ClC1=CC(=C(C=C1)Cl)N2CC(=O)N(C(=O)C2)CC(=CC)C,OYIVGXJJLOLVQD-UHFFFAOYSA-N
-7D3DF48864E0F60C_001EBE1AFF2FDF8B_6038_DP,CC(=O)C3=C(OC(C1(CC)CNC1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,BGPVWFDJSHUQOG-UHFFFAOYSA-N
-82ACB66472A74C41_CC68C738A13991A3_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,LZUMGIRYHLBMIZ-UHFFFAOYSA-N
-82F9111C19349E16_51E7CB0E0B80ECE3_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,MKWAXNNKJGACHP-UHFFFAOYSA-N
-83B951E3E74E2661_307B1565DFCEC2EC_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NCCC3=C(OC)C=CC(=C3)C,VBKDTMYBRZGFNQ-UHFFFAOYSA-N
-83E5C11EE8BC2B99_38253A80E640457A_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3N=CN(C)C3)=O,WXRKWOPANJCPMF-GICMACPYSA-N
-84C7338A0E96CE96_BD2A7DCA42D07207_6038_UN,N(CCC(=O)NC(=O)N)C(=O)C1=CC(=CC=C1)N2C(=O)C=CC2=O,PPCVYCQHDQCHSB-UHFFFAOYSA-N
-88E962EAEF85C0BE_290D7A49733E25DF_6041_UN,CC3=NC1=C(C=CN=C1NC(C)CC2=CC=C[N]2C)[N]3C,NAQHBOSJRGPZID-UHFFFAOYSA-N
-8972593776B3C899_CFE69AC5FFAE2000_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2[N]3N=NC(=C3)C4=CN=C[N]4C,KIZJCBXVHIGBAE-OAHLLOKOSA-N
-8A7C40E75DA115B2_08E5AD3BED5018A3_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,QVVRMGBRBVMENW-HOMQSWHASA-N
-8B72C6514E160501_E95E2114D1C301EF_6038_UN,N(CCN1C(C=CC1=O)=O)C(C2=CC=C(CN(C)C)[NH]2)=O,SXGVLROWCOYDST-UHFFFAOYSA-N
-8D8C8B0EDA540138_54B802238720836F_6029_UN,CC1OC4=C(CN(C1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C=CC=C4,ZZRLMNSRZGSCCY-UHFFFAOYSA-N
-8D92A44EE82F3E43_374EA1FD78A804AA_6029_UN,CC1CN(CCN1[S](C2=C(C=CC(=N2)C)Cl)(=O)=O)C3=CC(=C(C=C3)C)C,GQVZEAHOFBJSCN-UHFFFAOYSA-N
-8DFF525BB25EF6F2_985B39679726D617_6038_UN,N[S](=O)(=O)C1=C(C(=C(C=C1)OC(=O)C2=CC=CN3C2=NCC3)Cl)Cl,BKDINNJIOSSZSZ-UHFFFAOYSA-N
-8E0E9F52E5ACB130_B4981AF671D7D53E_6029_UN,CC=C1CN(C1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,PXJOOOYEPPEMQC-UHFFFAOYSA-N
-8E3C9EBD94AE0591_E2365ABF97001943_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4,HYYASDRQNMIDME-UHFFFAOYSA-N
-8EC54D8F4F62DBBD_E39EC71E9A6A73C1_6038_UN,CCN(CC)C1=CC(=CC=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,PLODQLCWOMHVDI-UHFFFAOYSA-N
-9034175F1B876C60_305FC86A970636E0_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C3=C(C=C(F)C=C3F)Cl)(=O)=O,IZYUVWMOEWKPKN-HOMQSWHASA-N
-921BDBCFB6FC318C_B9802E3B1C95D20E_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(=C2)F)C#N)C)(=O)=O)C3=NC=CC=N3,UJWFJQSOPMDTOS-UHFFFAOYSA-N
-92B8C5B7E5F198A1_7E89D68FE84C0BD2_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,ZGFKHFKANGBWGA-UHFFFAOYSA-N
-9354908F1531A46F_0D308532E5D78655_6029_UN,FC1(CN(C1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=CC=CC=C4,LFVMXSDZBWNVFV-UHFFFAOYSA-N
-969D5E789922EEC1_8BAF2009D695BF89_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C[N](C=N2)C3CC3,ZGHLQLMOXYXWIR-UHFFFAOYSA-N
-9723D5EE19EC140B_2C2E48EC9CCF96F6_6041_UN,CC1=C(C(=NC=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,BKRXPHXETKFCAY-AWEZNQCLSA-N
-97BCE8F485FC7651_846463CC619DE1D8_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=N2)Cl)(=O)=O)C3=CC(=C(C=C3)C)C,JWVPPSDEFICJMJ-UHFFFAOYSA-N
-98A9D95774DC9FF0_E76477EFD8C359B5_6029_UN,N(CC1=CC(=CC=C1)C2CC2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,DKCJWRHTWVECLO-CYBMUJFWSA-N
-993D31B1C9B1BFFE_562502B544F3F230_6027_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC=CC(=C3C)C)(=O)=O,NPADBPBTTGPKQR-UHFFFAOYSA-N
-993D31B1C9B1BFFE_562502B544F3F230_7015_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC=CC(=C3C)C)(=O)=O,NPADBPBTTGPKQR-UHFFFAOYSA-N
-9A1016061AE885B0_98A6D101A2069659_6029_UN,OCC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=CC=CC=C4,FSUWFYFDALPLDX-UHFFFAOYSA-N
-9A5CAB66CC73F1C2_54DAB9C993A1FB57_6006_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)Cl)C2=CN=C(C=C2)N3CCCC3,JPUFNGRAJGNUQL-UHFFFAOYSA-N
-9C474B7A21739067_CA2966D761E3F8F5_6029_UN,N(C[C@@H](O)C1=CC=CC=C1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,HMVMZSOJOXNEBP-MRXNPFEDSA-N
-9C68B2DF181B40E9_886BB97C646E4CFF_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,SLVWTDDVAXQEQM-WOVMCDHWSA-N
-9EC0010A0F29625C_8A550E098D930CBE_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)F,ZDSYAOGUEYTZRG-UHFFFAOYSA-N
-9EDDDE2EE0E2ADE8_F927DE89F5AE76F0_7022_UN,C1(=CC=C(C=C1)C#N)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O,KGLDWJWTGHZXDP-UHFFFAOYSA-N
-9FB4ADBD3D4BC9AE_F3DA7743C7B0344D_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(CCO)C=C(C=C3)F)(=O)=O,QJYPBOOVCCNBDX-UHFFFAOYSA-N
-A1D83A7B70FA797C_B723858D0F860591_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CN=C4CN(C)CC[N]34)(=O)=O,WKOXVELMYQEYTC-UHFFFAOYSA-N
-A3D01F596A2520F0_F94F9811C7D32B2E_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=CN=C(C=C3)N4CCC4,IWCLGSIUCLWNPR-UHFFFAOYSA-N
-A417D8B3E01BE1DE_A3310AA5C1F2623B_6028_UN,CC1CN(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=NC(=CC=C3)C,QFFMFMCNMGNTFL-UHFFFAOYSA-N
-A5C348BB0F69F137_085E38CBDFEE479C_6029_UN,C1N(CCN(C1)C2=C3C(=NC=C2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,MJNLRARSAURZOT-UHFFFAOYSA-N
-A6DFC04B297DC9D5_EA10938E381D1D57_6041_UN,CC3=NC1=C(C(=CN=C1)NC(C)CC2=CC=C[N]2C)[N]3C,ILYQAOFYYRPLPT-UHFFFAOYSA-N
-A7F64C8D5B67892F_D63470F39863D76F_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2[N]3N=NC(=C3)C4=CC=N[N]4C,JJCGYSWYHMYJDC-OAHLLOKOSA-N
-A80E1C2D46CCFD01_0384FEF9999A8A78_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(C=C(CO)C=C3)Cl)(=O)=O,NZISQHSTEZCZFI-UHFFFAOYSA-N
-A81F39458CD412E7_F9A4AE16E6EF9468_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,IZUJBYZOTHMLEB-UHFFFAOYSA-N
-A9B0B00DC95D177A_807DCFD654E75DBD_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC=C(CC)C=C3)(=O)=O)C4=CC=CC=C4,VWQQUWZXWNNRGZ-UHFFFAOYSA-N
-AA093497D175A24A_1EA007F6F443068C_6038_DP,CC(=O)C1=C(C=CC(=C1)C(C)(C)C)NC(CN2CCNCC2=O)=O,ZNGKXBFLQLJOSM-UHFFFAOYSA-N
-AB7ACA5F8F58036F_3865F97D2F9442CF_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(CSC)C=C3)(=O)=O,NIVWBBOBYMZEQG-UHFFFAOYSA-N
-AC728EBF0E915F49_1E10C482B39A3B8F_6038_UN,CN(C)C1=C(C=C(C=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,RZPJSVAMDYRMJU-UHFFFAOYSA-N
-B0C376DD6614BB00_64B368515E61BD51_6038_UN,CN(C)C1=CC(=C(C=C1)NC([C@H]2N(C)C(CC2)=O)=O)C,FSSGUNPNSQEGDZ-ZDUSSCGKSA-N
-B1028735475A9BC7_A6BA4276280E8B79_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=CC=CC=C3,LPVLMTTYUQDMNI-JDBFWQQPSA-N
-B1DE948391BE6EEC_A3910295B7AE1218_6041_UN,CC1=C(C(=NC=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,GPENVBCPCBRHOX-ZDUSSCGKSA-N
-B205F40CA99F8A85_5848F8206D3A69BA_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCOC)C=C2)OC,HHJAOHTZLSKDEP-UHFFFAOYSA-N
-B30286ED6577D4C6_CAF72826B7417DA1_6038_DP,N1CCN(CC1)C2=C(C=CC=C2)NC(CC3=C(C)C=C(C(=C3C)[S](=O)(=O)Cl)C)=O,UAYDMBMIRRKFOT-UHFFFAOYSA-N
-B3F6FFE2E1869741_7A2F5A8A8F25426F_6038_UN,O(CC(=O)C1=C(C=C(C=C1)F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,YOOUXICKFSCBBQ-UHFFFAOYSA-N
-B823B5C524D68B80_16D1B0A37F67335B_6038_UN,CN(C)C2=NN=C(CNC(C1=CC(=C(OC(C)=O)C=C1)OC(=O)C)=O)[NH]2,IDDYXGJONZZZHO-UHFFFAOYSA-N
-B87714EB82A45AEE_02CFAEE6D6710DE6_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC(C)CC3=CN=CC=C3,XGAADDICZAMNIN-UHFFFAOYSA-N
-BA47B11844A745AE_73D6F9637A867CE8_6029_UN,N(N1C(CC1)=O)[S](C2=CC(=C(C(OC)=O)C=C2)I)(=O)=O,XMRVAYPZFQYANI-UHFFFAOYSA-N
-BB0A58C94030CA21_9DD3826B1D76D46D_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C)C=CS3)(=O)=O,UTRSARYACLNBBK-UHFFFAOYSA-N
-BD5160AD2F5F444B_2D1B1B6627F5062A_6029_UN,Br[C@@H]1CN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,XLTDGIWRBRDOAE-ZDUSSCGKSA-N
-BD71C4D342E5AC9D_0A92F0AF2EF840E4_6038_UN,CN(C)C1=CC(=C(C(=C1)C)NC(=O)C2=NNC(=O)CC2)C,ZTMHWPMLXLPBIS-UHFFFAOYSA-N
-BE272C6857F028A9_650C37A6ABE34ECC_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C(C)(C)C,ZDWZZIGAUGWIAW-AWEZNQCLSA-N
-BE286340C907EA12_9D039B7CEF4F8FEE_6029_UN,C1C(CN1[S](C2=CC=C([C@H](C)O)S2)(=O)=O)C3=CC=CC=C3,OHCPCPVVAXBCCU-NSHDSACASA-N
-BE6A36DF59A84E52_B715E0FFE42E004A_6038_UN,N(C1=CC(=O)NC(=O)C1)C([C@H](OC)C2=CC=CC=C2)=O,FQQNXJRAOOPYST-CYBMUJFWSA-N
-BEE64D76824F2582_8C8E59692C6EEAD2_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,YEUDFXJDOUWUFB-MJHDQNEOSA-N
-BFD5DEFEE7C88FC5_DB5384CBE90E3E2E_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C(C=C[NH]2)C3CC3,NZGIFPPHJAKGCS-UHFFFAOYSA-N
-C3989D1A71248A20_FB43FF5ECFBEBBB5_6041_UN,CC4=NC1=C(C(=CN=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)[N]4C,LIVMWPRZFIKKOM-UHFFFAOYSA-N
-C568243070D778F4_686845E135D700BE_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,AGSMLOHXTDQWQG-UHFFFAOYSA-N
-C68BA8BCEEE84D96_FD26816BC6E412B8_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(C=C(C)C=C3)CO)(=O)=O,SHFCCVXPOCLZHZ-UHFFFAOYSA-N
-C6FEF418071B81F6_EC38FFFD70E8126D_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OC)C=CC(=C2)C#C)(=O)=O,KWTFLBZXDUNLAE-UHFFFAOYSA-N
-C890A2F3725E5E81_83B9937DA245C26F_6038_UN,CN(C)C1=C(C=C(C(=C1)C#N)NC(=O)C2=NNC(=O)CC2)C,UYHJHAMMWDVIFS-UHFFFAOYSA-N
-CB0062206F6BE5ED_93D997F739187A56_6041_UN,CC1=C(C=NC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,QFNXRRYCSYGSEE-ZDUSSCGKSA-N
-CB10EBD670E8DC3E_2F0D0D5BD0F1ED64_6038_UN,N[S](=O)(=O)C1=C(C=CC(=C1)F)OC(=O)C2=CC=CN3C2=NCC3,KONMRKPOUQMHHJ-UHFFFAOYSA-N
-CB1144FC753199BF_58A8480EF7ED5228_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C=C2)C(Br)(Br)Br)(=O)=O,ZKEOLBFDSKKBLN-UHFFFAOYSA-N
-CB53AE06888E9B93_BC8216E31B62F190_6004_UN,C[N]1N=CC2=C1C=C(C=N2)C3=CC4=C(C=C3)OC(C)C4,UTJQGOPQGFSVCZ-UHFFFAOYSA-N
-CB9583FBAB2F1DD6_3E28F50E26EC08C4_7019_UN,CC(C)[N]1N=NN=C1C=CC3=CC(=C2OCOC2=C3)C4=C(C)[N](N=C4)C,IVLYSVJEJSLZPX-UHFFFAOYSA-N
-CC334FF43E6829C9_4280C4AF4A882DE3_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,LKILIYYECQUEPN-UHFFFAOYSA-N
-CCB2A7C5A46430D1_C09A2163E05E4183_6038_UN,COC(=O)C1=C(C=C(C=C1)OC)NC(=O)C2=NNC(=O)CC2,KBMOLOACQHLOQU-UHFFFAOYSA-N
-CD8CF0682940F35B_0D45EA587816027E_6038_UN,CCOC(=O)[C@@H](NC(C1C(N(C)C(C1)=O)C2=CC=N[N]2C)=O)COC,RJZRBTTUEWPQLU-CVZZAPKMSA-N
-CE6B79001CF7FD14_B3B952395288EB30_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,DIGADFWUHJKRDS-MJHDQNEOSA-N
-CF15996AB6121097_41E5272F54A23DF0_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2)OC(F)F,UHZLBUPLEOQVDT-UHFFFAOYSA-N
-CF81874A77756B71_ED9AFA79B6DE3E03_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(C)C=CC(=N3)C#N)(=O)=O,GPBXIMQZDZPQQV-UHFFFAOYSA-N
-D3FFA646012AF465_A3133533F32430D5_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCCN(C3=C(C#N)C=CC=N3)CC4,NOUGJZJLNBDEEM-UHFFFAOYSA-N
-D48CEDCE33E4E495_CA11CBB88D412241_6038_UN,COC(=O)C(NC(C=C([P](CC)(=O)O)C)=O)CC1=C[NH]N=C1,JSXMYIVVLVDNAF-UHFFFAOYSA-N
-D58ECDC2CD027D22_DB64BCF2A83E1E43_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(=O)C2=CC=CN3C2=NCC3,UZRCFSVZPNAEGX-UHFFFAOYSA-N
-D85756D8504802CD_7693ACF78AF70C6C_6028_UN,[CH2]=[C]1CC[N](CC1)[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O,SYFUZAROFGEWDQ-UHFFFAOYSA-N
-D8EA694B2B55EF99_28483532FF545D66_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)F)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,AMIVPLBDISSRGT-HOMQSWHASA-N
-DB785C12C859A0A3_0D01D632D10FC671_6027_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,ICYCEYJYOWXIEY-UHFFFAOYSA-N
-DBBDAE1F229241CD_83A16596019645FB_6005_UN,C[N]1C=NC(=N1)C2=CC(=CC=C2)C3=CC4=C(C=C3)OC(C)C4,FTEUESPFCNZJHP-UHFFFAOYSA-N
-DC9C67ED05CBCAFC_FA1026FB289AA1CB_6031_UN,CC1=N[N](N=N1)CC(=O)OCC2=C(N(C)C)N=CC(=C2)Br,UUPTXILFCLGCHP-UHFFFAOYSA-N
-DCC416EA730CC928_8316940590C4FC39_6029_UN,F[C@@H]1CN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,PCLKUIYPYZEYHM-ZDUSSCGKSA-N
-DF35B206602BB596_C12EFF9FE0E17960_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Br)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,OAEYSBIMANPMJG-MJHDQNEOSA-N
-E188F1044739A614_F6E81FF430F0571F_6029_UN,N([C@@H]1C[C@H](C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,GKDXXQXCDZWLJM-QRTARXTBSA-N
-E35C82A0F8655AFA_DE0191D2363997BF_6029_UN,FC(F)OC2=C1CCCN(C1=CC=C2)[S](C3=C(C)C=CC=N3)(=O)=O,NZEDYEFEUZDGHN-UHFFFAOYSA-N
-E3CEEB73F1521C17_4ED085035C2302C8_6029_UN,C1C4=C(CN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C=NC=C4,CNBHOSSQFJLTTJ-UHFFFAOYSA-N
-E3E8F114B421F004_A309EE59F7E10115_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(CO)C=CC(=C3)F)(=O)=O,OTDFSKQYIHQMJT-UHFFFAOYSA-N
-E40A7AC82084E58D_8CE12249C96EC719_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC(=C(C=C3)C#C)C)(=O)=O,YZBFCDZOEYZTAM-UHFFFAOYSA-N
-E41CF1916C2D2917_243CAFE45DB2A5DF_7022_UN,C1(=CC=C(C=C1)OC(F)F)NC([C@H](CC)N2CCCC2=O)=O,ASKHTBVSNXBYBY-LBPRGKRZSA-N
-E470B91C93E6B42F_5D76DC26FABC8887_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NC=NC2=[N]#N,NPFIWOHXYFBORT-UHFFFAOYSA-N
-E631DC1DA816C6E6_BA182EBEEE26EECD_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC2=C(OC)C=CC=C2)=O)=O,AYOFVWZGPIBNOC-JTQLQIEISA-N
-E6507DABAF5A26D5_3B5C12100AFF1962_6038_UN,O(C1=CC(=CC=C1)OCC#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CZGNXBSTVGCWRD-UHFFFAOYSA-N
-E837FDE38A74B602_A15721031F6149A0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)CCC(=O)C2=CC(=C(C=C2)F)F,LOCXKPTXZPVWRD-NSHDSACASA-N
-E8BC0E42DEDF1906_174C004C67F9CDFA_6038_UN,CN(C)C1=C(C(=CC=C1)NC(=O)CN2CCC(=O)NC2=O)C,SQWXTPIJVFYPKA-UHFFFAOYSA-N
-E8CC06513A4C10F3_2A501B44B44DEF29_6029_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,GZGLXJPWJMWKJW-UHFFFAOYSA-N
-EC2CE44F3A07F2BC_F6B71FAD10FD9147_6038_DP,CN(C)CC1=CC(=C(C=C1)NC(CN2CCNCC2=O)=O)C,LLBOJMJLBJJJFA-UHFFFAOYSA-N
-EE98AEA5025763F5_6E1A5ED6455E2C71_2875_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2[N]3N=NC(=C3)C4=CC=N[N]4C,JJCGYSWYHMYJDC-HNNXBMFYSA-N
-EED9B5C1FEE65482_20D15FAF3E9262A3_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=CC(=C2)C,HFRXBFXKFLJOJP-UHFFFAOYSA-N
-F0667B6F00906E6D_D3B486961E31D0ED_6029_UN,N(CC=CC1CC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,FYDOFKKCIKZWME-UHFFFAOYSA-N
-F32302F13FA727AB_FBB639281AD9658E_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C(C=C(CO)C=C3)Cl)(=O)=O,RPTJFHZRPOJQDH-UHFFFAOYSA-N
-F3F9F72333F68D53_E799BFAB670739D8_6028_UN,BrC1=CCCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,IMKYQOVLQROCNA-UHFFFAOYSA-N
-F4ED2D9DF4A4E419_BFE527AD046E82FB_6029_UN,C1CN(CCN1[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CC=CS4,XVNVHEQSQWDIQJ-UHFFFAOYSA-N
-F6B62C49EA72A6F9_5E9D43D264CC614D_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,LXCIIOYMHALXKF-UHFFFAOYSA-N
-F6D31D0E47223F58_B7CAB466D3084764_6038_UN,CN(C)C1=CC(=C(C=C1)NC(C2N(CC)C(CC2)=O)=O)C,FYYAGDBZCGFRCB-UHFFFAOYSA-N
-F70A18B5FFBA1D49_AE183C1BE7CF5149_6038_UN,N(C1CC(N(C1)O)=O)C(C3=C(C=C([N]2N=NN=C2C)C=C3)F)=O,CNQGJFLUURZPCD-UHFFFAOYSA-N
-F71562B0B3E4865D_769DA07AE8C9DFD5_6004_UN,C[N]1C=NC2=C1C=NC(=C2)C3=CC4=C(C=C3)OC(C)C4,ZKJIJMSQFQKPBH-UHFFFAOYSA-N
-F8492A59D4C3092A_9FA0C6D2E1714656_6026_UN,[S](=O)(=O)(C1=CC(=C(C=C1)OC2=CC=CC=C2)Br)NC3=C(CCC3)C#N,QNIZYHLCZAXLBF-UHFFFAOYSA-N
-F86DC74B6B40772E_84E48B4263C57661_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=C(C=C4)[N](=O)=O)Br,LBMYKUWHMNPIQR-UHFFFAOYSA-N
-F8DEC46D3F945DAF_3CDBF7BF71554E32_6029_UN,CC1=C(C(=CC=C1)C)N2CCN(CC2)[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,NWMIRFFUGQGASF-UHFFFAOYSA-N
-F9FE61E1934C0B6F_5107B54175A07A26_6026_DP,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCNCC2)C=C3,FQYVCYFCNOPMCB-UHFFFAOYSA-N
-FA3C055AFB55CD49_7385DFE880EC74B9_6038_UN,O(CC1=CSC=N1)C(C(C)(C)CN2C(=O)C=CC2=O)=O,JINLQZPRUYECHO-UHFFFAOYSA-N
-FB2A816B13C83893_F10E24F2B15599CE_7022_UN,C1(=C(C=CC(=C1)F)OC(F)F)NC([C@H](CC)N2CCCC2=O)=O,DAPRPQVFWLPVAU-NSHDSACASA-N
-FB3A306CF5BCCBCA_131638DAC8D5DBF8_6029_UN,N([C@H]1[C@@H](CCC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,UARGQNSPUHBRTC-PKOBYXMFSA-N
-FD037BE32EAAFF30_91FEBE95ED596E6E_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,SORLOJMNQLHYPD-UHFFFAOYSA-N
-FE931CCFACF62D8E_813F7231DA90F04E_6038_UN,N(CCCN1C(C=CC1=O)=O)C(C2=C(N(C)C)C=CC=N2)=O,HEHGXVYEMIZPPS-UHFFFAOYSA-N
-00A91362ABDA2CC6_C9A0232D8C34A2EF_6026_UN,C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)N5CCN(C4=CC(=NC(=N4)C)C)CC5,IYGGBYLKVUGIKE-UHFFFAOYSA-N
-01D372DDFCBC9F15_62C96BA6BA72E82C_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(C(C)C)CC2)C(=O)O3,UTZXPYQJCMEAJD-UHFFFAOYSA-N
-04D37EDF11969F05_C55238DC5FF8A05A_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,ITDXWZLNXPUNCC-UHFFFAOYSA-N
-05E1618E21DD7A89_BFD10A69A6BA7EAB_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C5=C4C=CN=CC4=CC=C5,UNHUYTKKARXWNM-UHFFFAOYSA-N
-05FF9861413F26A6_358FDE07D23002E4_6029_UN,N(C[C@@H](O)C1=CC(=CC=C1)Cl)[S](C2=CC=C(C=C2)C(Br)(Br)Br)(=O)=O,HAPFYNKHBBRPDE-CQSZACIVSA-N
-07D2914796654F69_63992BE573954AFA_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C4=CC=CS4,STPNLFLMWSGMAM-UHFFFAOYSA-N
-07F1BABE6EF1E271_DBE92C6F33B85F31_6035_UN,NC(=O)N3CC(OC2=C(CC)C=C1C(=CC(OC1=C2)=O)C)C3,JTKUSTYRCZCUQC-UHFFFAOYSA-N
-092C03CB23911EF8_355D538FF2337876_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(C2=CC=C(C)C=C2)C3CC3,GYWOITMVSANRPZ-MRTLOADZSA-N
-09BFD81E7A73B7FE_3F07AE6C6B94A7F9_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3=CC=CC(=C3)C[S](C)=O,LCOFNWIEOHXSSD-UHFFFAOYSA-N
-09E856FA1A0B3C06_94F7F38225231A17_6006_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)C3=CC(=CC=C3)C4(O)CCC4,KVCGVRPZRHZWCK-UHFFFAOYSA-N
-0A1BFCBA7657C5B5_4D493F8934365531_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OCCC2)C=CC(=C3)F,OZWXWXFUXMIIOG-UHFFFAOYSA-N
-0AF6EC98D55E1E29_10064795564E6D4E_6028_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,NJXYDBWYXMCAMI-UHFFFAOYSA-N
-0B2967B6F8EAADCB_4313735F8DE06AFB_6029_UN,N#CC1=NC2=C(C=C1)N(CCC2)[S](C3=C(C=CC(=C3)C)OC4=C(C=CC=N4)C#N)(=O)=O,IRMLIHRZLJLKJR-UHFFFAOYSA-N
-0B4CDFEA3BBF8BD1_3A1FE406AE5CE1E6_6029_UN,OCC1(CCN(CC1)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O)CC5=CC=CC=C5,RWUBDJJFBXASCD-UHFFFAOYSA-N
-0C50A2D5EEFFE76C_B9F24DD9FA39F4C4_6034_UN,FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,IMBKJVSHDSLALN-UHFFFAOYSA-N
-0D00217A31320083_3CDEF75E68F8B397_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,IIJHZWSSBUNJBI-UHFFFAOYSA-N
-0E109599C5C5B6D9_3DBE3D4067385043_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=CC=CC4=C3[NH]C5=C4CC(C)CC5,FHZIBOUEJJPBIB-UHFFFAOYSA-N
-0F2BFF554D65EAAC_422FF15C31BBF21E_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C4=CC=C(C(O)C3=CC=CC=C3)C=C4)(=O)=O,BPDOVCXTMHDFBM-UHFFFAOYSA-N
-1013D5B856459C9E_C5ED63BBB51C2495_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCN(C3=NC=C(C#N)C=C3)CC4,ONJKNXAUTPOIJL-UHFFFAOYSA-N
-10F21687564BFCAF_9929925E22ED7BF0_6029_DP,OC1(CN(C1)[S](C2=CC(=NC=C2)N3CCNCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,CFZVHNICHJKYLQ-UHFFFAOYSA-N
-11064EFCB3FD7AAE_85FC225D3196B3FE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4(C(N(OC)C)=O)CC4,ILUZKWRPICCSDY-UHFFFAOYSA-N
-11F69D3DFA8A4F4F_8CBDF7A14B81FD0B_6029_UN,N(C2CCC1=C(C=CC=C1)CC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,WPXXCPFSLDHJEW-AWEZNQCLSA-N
-121733ED9BF39E60_23368F3665F05C37_6028_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O)C=CC=C4,VLMRXTVYMNJSST-UHFFFAOYSA-N
-12DAF4B6BC8888A9_0DE28B23AA5CC76F_6029_DP,OC1(CN(C1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,YUUNHUJWRGHOLJ-UHFFFAOYSA-N
-14730B8A55E4F1AC_5FD8C56D5D4C7893_6036_UN,CC1=C(C=CC(=C1)Br)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,TUXAIVPOQCQMSA-UHFFFAOYSA-N
-18353A4E5D08B851_ACD58F85441CA93F_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OC2)C=CC=C3F,YKYBUDQJWDZBRF-UHFFFAOYSA-N
-18F262B8AB478509_8E3E6BDD26C38D2C_6029_UN,N#CC1=CC(=NC=C1)N2CCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,FCHPXUMQHPEWGC-UHFFFAOYSA-N
-1B1169E1E76331C4_484B6E6ABE1A823A_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=CC=C2)CCC(SC3=NC=C(Br)C=C3)CC4,IRXUVUZYHGRDIO-UHFFFAOYSA-N
-1B839465196AA168_0F18306BA458B9B0_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,JPCQYFTULJEYDM-UHFFFAOYSA-N
-1C27ACBF96C45931_7BB0E980033247EF_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(OC)(C)CN,WNWPHIFGRGHNAW-UHFFFAOYSA-N
-1C36952651AA65DD_89B198F7A4E7DAF3_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=C3C=CSC3=NC=N4)(=O)=O,DMIVLFQILPOPAL-UHFFFAOYSA-N
-1D7F6461B00600C9_3B5F6F6D8CD526B6_6029_UN,OC1(CN(C1)[S](C3=CC(=C2OCCC2=C3)[C@H](C)O)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,OADBCQSIMJGUOL-HNNXBMFYSA-N
-1E4FDB2B6BEDE0F5_8E128EDAA1FAB24D_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3=C(C=C(C(=C3)N4CCOCC4)F)[N](=O)=O,KXELDQMMVQTJSU-UHFFFAOYSA-N
-1E66278A24B1C5BC_1D0DB487D2424EC4_6006_UN,OCC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3,BOYXRMWYIHAAMB-UHFFFAOYSA-N
-1F6F9AEE811705AE_3FDEFECC14149CD5_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C(CCCC)=CC#N,CLVFMMBOHIMAKU-UHFFFAOYSA-N
-1F7D6B047332AA7B_A62B21EAA1B7AA4F_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(=O)C3=C(C=CC=C3)N4CCCCC4=O,MXEGWHOJEORWPS-UHFFFAOYSA-N
-21019A5A3FCE4077_6775FCB77A48FDF6_2267_UN,CC(C)C1CCC(CC1)C#CC2=C(C(C)(C)C)C=CC=C2,RXFSTNASZWMSOZ-UHFFFAOYSA-N
-2235F04DC7324D86_C898515152FF5482_6003_UN,CCOC(=O)C3(COC1=CC=C([N](=O)=O)C2=C1CNC2=O)CC3,AXMGINRUWZQMQX-UHFFFAOYSA-N
-224A9F6D12D5ABAA_A11BA1B5549E57A6_6036_UN,CC1=C(C=CC(=C1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,PICFCNDKFCDHAX-UHFFFAOYSA-N
-2257938CDBE037E0_4F4ECECD96A7329A_6035_UN,C[Si](C)(C)C#CC(OC2=CC=C(C1=N[N](C)C=N1)C=C2)CC3=CC=CC=C3,VMEKFWJXMYGHNH-UHFFFAOYSA-N
-22C443D777E7E0C2_24269BD3D5CBFF78_6034_UN,CN(CC2=NC1=C(C=CC=C1)N2CCC3=CC=C([S](C)(=O)=O)C=C3)C4CCNCC4,NWYDTXAHIALNJU-UHFFFAOYSA-N
-238D79DB7206DF70_8F52127961B1B933_7019_UN,CCC2CCC(C=CC1=C(C(C)(C)C)C=CC=C1)CC2,ZZRPRKGWCHMSJJ-UHFFFAOYSA-N
-23FEFE3EAC6B0D23_F86A7442DC754A73_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C(C)OC3=C(C=CC=C23)F,JKKHNUOOKHLLTO-UHFFFAOYSA-N
-248E97EF3064CAC3_52B8FB9004F0E48D_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)C[S](=O)(=O)C4CCCCC4,LLYBLJGTVZQMGF-UHFFFAOYSA-N
-24A730264BAB31D8_032E925F99D20487_6039_UN,OC(=O)C=CC1=CC(=C(C(=C1)F)OCCN2C(=O)CNC2=O)F,LSVPFEICLGRAMY-UHFFFAOYSA-N
-24E6BBC7D3CC9618_D5196DEAE7A69A5D_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OC2)C=C(C=C3)F,JRXICJPXXYPSBI-UHFFFAOYSA-N
-256997A7CF8F134A_D08B3C6BE5244E7E_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(F)C=CC4=C3CCC4)(=O)=O,USCUDUCWRACPAA-UHFFFAOYSA-N
-2598DC281CBC5028_092AD3BAB383346D_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OCC)C=C2)C,IZWDCTCHCLOBMD-UHFFFAOYSA-N
-25B06E1475CB772D_26D152FFDE9293A8_6041_UN,O=[N](=O)C1=C(C(=C(C=C1)F)F)NC3=CC=C(N2CCN(CC)CC2)C=C3,CSIRMGGBKNYBON-UHFFFAOYSA-N
-2974F3CF7D0FE851_63EFAA2909AED4EC_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(COC)(C)N,HBTJOHOLRNCGBK-UHFFFAOYSA-N
-2C6F818B3F64DBC4_29EF5F9B920EAF1B_6006_UN,OC2=C(C=C1C(CCC1=C2)=O)C3=CC=C(C(C)C)C=C3,IQKPBGLTLHMCIK-UHFFFAOYSA-N
-2E4D2FA8EB061B08_7606F9A26321820C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=C(CN3CCC(C)CC3)C=CC=C4,VWZGKCRESLGPOW-UHFFFAOYSA-N
-2F6ADA520C2B0DE7_7DD44C49D4E32D2F_6029_UN,CC1(CCN(CC1)[S](C2=CC=CC(=C2)[C@@H](C)O)(=O)=O)C4=NC3=C(C=CC=C3)S4,DMAMCCSVIAHQIM-OAHLLOKOSA-N
-30279FCD9ADF4F4B_86D9C9D3417C4D34_6041_UN,COC1=C(C=C(C=C1)NC2=C[N](CCN(C)C)N=C2)N=C=O,NFIZWFMFOONMJO-UHFFFAOYSA-N
-30E5AF3D096D0925_F766EC2D9CD48879_6041_UN,CC2=C1C=CC=CC1=NC(=N2)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,XHWVKLNVWJRBCH-UHFFFAOYSA-N
-320B743ECD878F3A_33B6A93398CB703C_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)ON=C2C3=CC=CC=C3)N4CC(OC)(CC4)C5=NC=C[N]5C,KWRODYOVMFUWBH-UHFFFAOYSA-N
-329403CFE94F74AE_D63C62463ECC8C98_6006_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)C3=CC=C(C=C3)C4(O)CCC4,NDDBLNSESPETPY-UHFFFAOYSA-N
-33B62EA1332298A3_80761712D07C18B4_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=CC(=C(N=C3)[N]4N=CC=C4)C)(=O)=O,QRPCCQCYBITTFR-UHFFFAOYSA-N
-33BA076DC8DA1A5C_A07D665A079C97BD_7005_UN,N3=C(C1=CC(=C(C)C=C1)[S](=O)(=O)N2CCCCC2)[NH]C4=CC(=CC=C34)C5=CC=CS5,WLCMMACSLQJXCO-UHFFFAOYSA-N
-36C660D784A3E038_0C76924BFFC3E264_6006_UN,CC1=NOC2=C1C(=CC(=N2)C)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,QVOGSLZXDYCCLS-UHFFFAOYSA-N
-388C6B0A111BFB24_8971473A1C21D376_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)[S](N4CCN(C)CC4)(=O)=O,MIGJJDYWIKWHLQ-UHFFFAOYSA-N
-3B1B1012800F8FCB_64121C88870BAB20_6028_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(CC)S3)(=O)=O,KXUVFOGBKZBKPS-UHFFFAOYSA-N
-3CFD4599EDEFC340_6A8F3CCCF0BAFA66_6036_UN,C(C2=C1C=CC=CC1=C(C=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,CJSSJUWSWZYYOV-UHFFFAOYSA-N
-3D76161EEE094F2C_E756B72BD0C46642_6036_UN,CC1=CC(=C(C=C1)F)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,WKSLBZRTSFNYCA-UHFFFAOYSA-N
-3E1666BC8A3E52DC_CE42CB3AD0E2A32F_7019_DP,OC(=O)CNC(=O)C=CC1=CC(=C([N](=O)=O)C=C1)OC2CC2,VQYAPZSQIJKKFP-UHFFFAOYSA-N
-3F7534F5453A69E5_38015444377AC372_6029_UN,C1N(CCN(C1)C2=C3C(=NC=C2)C=CS3)[S](C5=CC4=NC(=C[N]4C=C5)C(C)(C)C)(=O)=O,MIDPGNRJORGVAG-UHFFFAOYSA-N
-418AB8BAAFD846C6_EC3F7027BB3A9127_6038_UN,CC(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCN(C)C,KPRUQUUBYSKDTD-UHFFFAOYSA-N
-422EA04839DAA4E9_E0BAAB08ED69172D_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C4=CC3=C(SC=C3C)C=C4)(=O)=O,WXLRAWVNJAUWND-UHFFFAOYSA-N
-4367919EA7A87CCE_73D10A2DED15D578_6026_UN,CC1=C(C=CC(=C1)C#N)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4,GRIANACAHJLHKD-UHFFFAOYSA-N
-455F3B5D8444655D_AFABB9BC8BA57712_7017_UN,N3([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5,CEKCVOLSCFNOAY-UHFFFAOYSA-N
-45D6BF0961D01986_F14D4C4B50D50569_6003_UN,O(CCN1C(=O)CNC1=O)C2=C(C=C(C(OCC)=O)C(=C2)F)Cl,CXBLRLDVELAHED-UHFFFAOYSA-N
-491E51804E8D3681_7049DB859CF8A4D9_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,ABTZHIIYFFTBCO-UHFFFAOYSA-N
-4A27D5171DEAE559_C767F5196AE0AECB_6029_UN,OC1(CCN(CCC1)[S](C2=CC=CC3=C(C)C=CN=C23)(=O)=O)C4=CC=CC=C4,JBPARSTYZOJJKB-UHFFFAOYSA-N
-4B0026FB1556EF5D_2D3B39048E4B3B80_6041_UN,CC1=CC2=C(C(=C1)C)N=CC(=C2NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4)C#N,WCYHAPDQCNCUGA-UHFFFAOYSA-N
-4B5A9E3EF0E50993_B32A21D57B6109B2_6006_UN,CC1=C(C=CC=C1)N5C(=NC2=C(C=CC(=C2)C3=CC=C(C=C3)C4(O)CCC4)C5=O)S,JWLBOVNRESWNRH-UHFFFAOYSA-N
-4C55CA039F65CD84_B3C2E2628B15FFC9_7019_UN,CC1=C(C(=CC=C1)C)[N]2N=NN=C2C=CC3([S](N(C)C)(=O)=O)CC3,HMKCYYOYBSCSBN-UHFFFAOYSA-N
-4EB4BBA11585B1F4_B1FD3372B9BB986D_6006_UN,CC1=N[NH]C2=C1C(=NC=C2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,YACSPXBGQLFSPO-UHFFFAOYSA-N
-4EE7D2551BB1E055_70EB1B532C2EFD49_6039_UN,CC3(OCC2=CC=C([S](C1=CC=C(C)C=C1)(=O)=O)C=C2)CCN(CC3)C4CC4,OLDQCOJDIMSSNK-UHFFFAOYSA-N
-4FC5F0FF9C68880D_6AB7027F5822EE1A_6004_UN,CC1=C(C(=NN=N1)C)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,RJMYNFYJPFDLDE-UHFFFAOYSA-N
-52D3EEA6D33104E4_AA57CDC47DE9A1E1_6029_UN,C1C=C(CN1[S](C2=CN=CC(=C2)C(F)F)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,HJRLTRIVCNYDGU-UHFFFAOYSA-N
-53119CB7984E691B_AC1B0E75997E844E_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=C(C=CC=C3)OC4=NN=CC=C4)(=O)=O,INNAINXYBMFEKP-UHFFFAOYSA-N
-55C6A88F3BDDA150_5B536FA704952163_6034_UN,C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,NAEUWLRBMUAWDH-UHFFFAOYSA-N
-56BAF6FC4E77AF84_D4480F8BD0BE6857_6006_UN,OCC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O)C=C3,WSYMEHUSUJLXDZ-UHFFFAOYSA-N
-5703D070EE1B9785_482EBCE36F1BC0DB_6038_UN,CC(C)C(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,PNEBZCULGINJKQ-UHFFFAOYSA-N
-5703DEA3E35ADF17_5D1B27B4DD2D15E3_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,NNOHCGXXJBDNON-UHFFFAOYSA-N
-58CF0B975549A829_46C2B558676E1D77_2875_UN,Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)C(C)(C)N4CCNCC4,OPVJTNGHLUGXRJ-UHFFFAOYSA-N
-59AD7DF49EC60C94_A2C6E7D91BFA1E93_6036_UN,C(C1=CC(=CC(=C1)F)C2=CN=CC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,GWVGWFADBJZJIP-UHFFFAOYSA-N
-5ABB4B2E85721617_98BFF510A98B7646_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O,ZFWPPSWLRDTVSW-UHFFFAOYSA-N
-5ABD556F2BA7C0C8_4DF3594DA5836562_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NCC3=NC=C(C=C3)N4CCCC4,OVGKMAMQILANJM-UHFFFAOYSA-N
-5AE8DB617A9EBB40_A11B21ADE4816ACA_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,JSDFDMFQUMBBEK-UHFFFAOYSA-N
-5B1A10567D610685_23A879A6F5630F49_6038_UN,CC(=O)C1=CC(=C(C=C1)OC([C@H]3C[C@H]([N]2C=C(C(OC)=O)N=N2)C3)=O)[N](=O)=O,XKISOCQMMFOBPI-HAQNSBGRSA-N
-5BB8BDFC1A3921AD_E72F97D230579741_6038_UN,N(C1=CC(=O)CC1)C(C(SC2=CC=C(OC)C=C2)C)=O,VXVSLOMNXVOPLJ-UHFFFAOYSA-N
-5E9A3F2DCEFD5A08_BFDDC57AD0CAC7BC_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(C)(C)C3=CC4=C(C=C3)CCCC4,IIGDGJDSBWQWOL-UHFFFAOYSA-N
-60AA4E7E636C37AB_78EFF783F0607506_6035_UN,CC(C)OC(=O)N2CCC(OC1=C(OC)C=C(C=N1)[N](=O)=O)CC2,PKEZKQSRNMJRSP-UHFFFAOYSA-N
-61252379419B2599_DD38585B15661AB5_7005_UN,N3=C(C1=CC=C(C(C)C)S1)[NH]C4=CC2=C(C=CC=C2)C=C34,GMRJHVAGNBTFFL-UHFFFAOYSA-N
-6162F5785FE0917A_72B769AC967E46E8_6041_UN,O=[N](=O)C1=C(C=CC(=C1)F)NCC3=CN=C(N2CCN(CC)CC2)C=C3,SAGKVKJRLUAKON-UHFFFAOYSA-N
-61BB6E73C82BCA8F_8DAE226DAF49BFA8_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C=CC=C3N4CCCC4)N5CCCC5,HFVACHKTWOYAOX-UHFFFAOYSA-N
-64FF14178FD51379_B268EB3A7FBD2421_6029_UN,C(N1CCN(CC1)[S](C2=C([C@H](C)O)C=CN=C2)(=O)=O)C4=C3C=CC=CC3=CC=C4,SZVOITYNNJINSO-KRWDZBQOSA-N
-654AE40A9486FCD9_E0840DEC248C98E6_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCC(=CC3)C4=C5C(=CC=C4)C=CC=C5,YUUSEKVHJCCOIX-UHFFFAOYSA-N
-662888B0C5DD478F_C3B9BF64E94894DF_6041_UN,CC1=C(C4=C(C(=C1)NC2=C(C=C(C(=C2)N3CCOCC3)F)[N](=O)=O)C=CC=N4)C,KUQOXISZWYCIQZ-UHFFFAOYSA-N
-6717A2D8A65A6A05_BA204A3926824598_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,ZVLQLYYUCRDPIG-UHFFFAOYSA-N
-6A024452885FDA49_B64FEA4FCE3E0E80_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C=CC=C3)OC4=NC=CC=C4)(=O)=O,IHAHWXVDSPOYSJ-UHFFFAOYSA-N
-6C386E4E192AF6F2_41C8EBE402C8214F_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C5=C4C=CSC4=CC=N5,LGYLDKUQBYLOIV-UHFFFAOYSA-N
-6CF335ED60609471_27149D73C2F23B54_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C5=CC3=C([NH]C4=C3CC(C)CC4)C=C5,QPBSGZYROOSXKZ-UHFFFAOYSA-N
-6EF77692B39C3E13_BB9D1DBCCBC1D4A3_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)C2=C(C=C(C=C2)[N]3C=NC=N3)Cl,ZLTDNEHVIYJHLY-UHFFFAOYSA-N
-707DC03A3B2659B1_93EAD3FABC44B15A_6041_DP,CC(C)C(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,YUOPFLGBWIHWOA-UHFFFAOYSA-N
-70AAAE78B7031B07_1AD9E36ED15FA2CD_6006_UN,CSC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,HYKIPJNYLSKYQH-UHFFFAOYSA-N
-71E9D0C88A7A2D62_A6335699B915573D_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C[C@H](OC)CN,NKBPNEAARBDDCD-GFCCVEGCSA-N
-727E14816CE4D619_34D323D2F9E0DE05_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,KJDQRYPZCPTXGX-UHFFFAOYSA-N
-729FA030CDDA86AD_B07E14573A25B962_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)C)C(N(C(C)C)C)=O,GFFXBFDOPKMQGQ-UHFFFAOYSA-N
-73870F57E47EE3A0_5201C89E0089D4A3_6035_UN,CC(C)COC(=O)N2CCC(COC1=C(OC)C=C(C=N1)[N](=O)=O)CC2,KKRMGCZXPFNMBX-UHFFFAOYSA-N
-752306E0C35B8BE0_292D1E116AFAD511_6029_UN,N#CC1=CC=C(S1)C2=CC3=C(C=C2)OCCN3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,HBWLJEJRJUJYQY-UHFFFAOYSA-N
-759064500E74D43E_DB99FA0935A29CFB_6036_UN,CCC(C1=CC(=NC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,LMDCYHCFRSYBIH-UHFFFAOYSA-N
-76E0F7E8879D0389_69AB41CDF404DABC_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C)C=CC4=C3C=CC=N4)(=O)=O,KLTRYRIFBGGRFX-UHFFFAOYSA-N
-76F3BD35696E2948_E6E695CE5CCCF230_6039_UN,NC(=O)C2(COCC(NC1=C(C(OC)=O)SC=C1)=O)CC2,SGSCGRNCPOUSKE-UHFFFAOYSA-N
-7BBE36E23A53313B_36D20874788FB4F2_6038_UN,COC(=O)N1CC(OC(C(C(N(C)C)=O)(C)C)=O)CC=C1,CSZJIQDTIJVRIS-UHFFFAOYSA-N
-7C8191221219430F_651CCCBB985960AF_7022_UN,C2(=C1N=CC=CC1=CC=C2)OC4=CC=C(C(N3CCN([S](C)(=O)=O)CC3)=O)C=C4,CUJDWNOMGMNOFP-UHFFFAOYSA-N
-7CDF7F0F56DA16E5_EBC42EC76577A90D_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)F,OJNIELQFCPTROD-UHFFFAOYSA-N
-7D6D0556CFF1F245_4B282313A982B037_6036_UN,C(C1=C(C=CC(=N1)Cl)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,UPBVQRKBYJUKQK-UHFFFAOYSA-N
-7D754FE0305648CB_FD3D6CDE6865D47B_6036_UN,C(C1=CC(=C(C=C1)F)C2=CC=NC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,ZQVCWYNMYWNOOM-UHFFFAOYSA-N
-7F017C9B200A8408_5C0FA46D7099D155_7005_UN,C[P](=O)(C)C1=CC=C5C(=C1)N=C(C2=CC(=NC3=C2C=N[N]3C(CC)C)C4CC4)[NH]5,VAUGSYJMYKGXSW-UHFFFAOYSA-N
-80DA966EB083B380_7421A8C6B693AB56_6036_UN,CC1=C(C=C(C=C1)Br)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QLXHNJNRTWKMNA-UHFFFAOYSA-N
-80E16061CC86526A_9F701730D167F77C_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(OC)C=C(C(=C3)F)C(=O)O,MVQRTRZHYBFZIM-UHFFFAOYSA-N
-831E19A75B3922EB_60C3E35FB966BC84_6029_UN,C1C=C(CN1[S](C2=CC(=CC3=C2C=CC=C3)C(F)F)(=O)=O)C4=NC=CC=C4,QMDRNKCIYCKVBH-UHFFFAOYSA-N
-8681F143E232F008_F5935EFF918589DE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C[S](C(C)(C)C)=O,SPQYGURNBXUKNK-UHFFFAOYSA-N
-86D894508527F089_7E78754139CF5EE1_6003_UN,O(CCCN1C(=O)CNC1=O)C2=C(C=C(C(OCC)=O)C(=C2)F)Cl,JAUGVBKPIYKJHR-UHFFFAOYSA-N
-88AD8B704F9FF9B9_324131C7EE0B820D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4([S](C)=O)CCC4,DQGFOFKQOYTPRG-UHFFFAOYSA-N
-8987248FD074F75A_D598329F7193EB9E_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=CC(=C(COC)C=C3)F)(=O)=O,PSKKBWDNBUYUGE-UHFFFAOYSA-N
-8AEF4EE230527E07_322BF5A0B74F62A0_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=C(C(C)Br)C=CC=C3)(=O)=O,WYJJKAZOIJSQNM-RMNMTYGKSA-N
-8C336B036585719E_22CA7ED21F49DF4F_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=C(C)C=CC=C4)(=O)=O,MFVYODJITSTMGH-UHFFFAOYSA-N
-8C559AF4E9F2E0D4_948B9D05DA2F2947_6003_UN,CCOC(=O)C3(OC1=CC=C([N](=O)=O)C2=C1CNC2=O)CC(C)(C)C3,YJUJBKUNCLMVKV-UHFFFAOYSA-N
-8D919353AA32642F_8A6ED9E1C09D6ACF_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(=CC3)C4=C5C(=CC=C4)C=CC=C5,IGQTZMQFIKPGDH-UHFFFAOYSA-N
-8DCF0F3F4A76C9F9_19AD208DE21BF0CE_6039_UN,CC(CCOCC1=C(C(OCC)=O)CNC(N1)=O)N(C)C,CFISACBFIYEXRT-UHFFFAOYSA-N
-8DE5775E19362E66_721938EEAD85FBBD_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(OCCC2)C=C(C=C3)F,YWJBPJCSKZASQX-UHFFFAOYSA-N
-8E9E72BB31C21BA2_0668F2842ED07CBC_6026_UN,CC2=C1SC(=CC1=CC=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,ASRJWGHGGRCDJN-UHFFFAOYSA-N
-922E42AFC5F25BE3_997E4C9165C3A174_7013_UN,N2=C(C1=CC=CC(=C1)[C@@H](C)O)[N](C3=C2C=CC=C3)C4CC4,UWBFUUOVVGBFAA-GFCCVEGCSA-N
-92310CCC6942AC7C_C195D9F0748DC35B_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4=CC=C(N3CCN(CC)CC3)C=C4,DWAFTUOLNZIPIB-UHFFFAOYSA-N
-92C4335D023FFA77_DF5F1FB783AABD3A_6036_UN,CC1=CC(=C(C=C1)Br)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,IXJGKBNZZDEUIV-UHFFFAOYSA-N
-9339557FC1DD88BF_008FD32D5AD93683_2875_UN,CC1=CC=C(C=C1)[C@H](O)C[N]2N=NC(=C2)CC(COC)N,XSDVEMQAMUKIKY-AWKYBWMHSA-N
-93D2024EC22E6B34_0716B9F6C35A8900_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O)C4=C3OC5=C(C3=NC=N4)C=CC=C5,SJSNBLRHUDXJQV-UHFFFAOYSA-N
-9413C132D67B4641_E605C9B368A15B04_6038_UN,N(C1=CC(=C(C=C1)C#N)F)C(C2=N[NH]C(=C2)CCCCC)=O,ABDFWVVKIQYXIQ-UHFFFAOYSA-N
-944CDECDFD9B4116_54ED8D7702719029_6041_UN,O=[N](=O)C2=C1N=CC=C(C1=CC=C2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,WJBQNGQXFKWFSA-UHFFFAOYSA-N
-967C15A8737AF4FD_F6693785BCBC2780_6038_DP,COC(=O)C1=C(C(=CC=C1)OC(C(C)=C2CNC2)=O)[N](=O)=O,VMXBASMZSVBJKK-UHFFFAOYSA-N
-972333557DA77EC2_AC4D89636E7F611F_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=C(C=CS3)C4=CN=CC=C4)(=O)=O,CNBUCNUXWZVAGR-UHFFFAOYSA-N
-99470B7C7A20D914_C099DE6708A90DC8_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=C(C(=C2)Cl)O,OWOSLLURYZBPFF-UHFFFAOYSA-N
-9A10ED14CDEE32C9_E55939ADE62EDAFB_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CCC(NC3=CC=C(C(C)=O)C=C3)=O,DSZHQBMLCQTJMI-UHFFFAOYSA-N
-9D965FC9D5BE109A_639DDE1675CEA355_6039_UN,COC(=O)C1=CC(=C(C=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,PFUKUCSZQJOSBV-UHFFFAOYSA-N
-9FCFB3DC78495B5C_4680B085110F5299_6026_UN,[S](=O)(=O)(C1=CC=C(Br)S1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,MREFJUJFKZBCDE-UHFFFAOYSA-N
-A152557C966498D9_60261F62752CD0BD_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NC4=CC=C([S](N3CCN(C)CC3)(=O)=O)C=C4)C5,OAVLSZOFNSVBAI-UHFFFAOYSA-N
-A35C9FE9AC1FBB22_80EBB211CBB2E139_6028_UN,N#CC1=CCN(CC1)[S](C3=NN=C(C2=CC=CC(=C2)C)[N]3C4=CC=CC=C4)(=O)=O,KKFWEYCRAAHIEG-UHFFFAOYSA-N
-A4F79C094981813B_070DB3ABA93D6EAA_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC4CCN(C(C)C3=CC=C(C=C3)[S](=O)(=O)C)CC4,JDBZXBPTKXNTSL-UHFFFAOYSA-N
-A53AB84C87F5892E_3CA6A5A236908E72_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N(C)CC4=CC=CC=C4)(=O)=O)C=C5,LTJURDLGCFHQOP-UHFFFAOYSA-N
-A565F94B7471B735_E1B477051E8E22F4_6029_UN,CC1CC(CN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C4=CSC=C4,QREAAJHKTPACEA-UHFFFAOYSA-N
-A6BD5980D5D25DDC_300349F64DAB438A_6004_UN,CC1=C[N]2C(=N1)C=CC(=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,SVPJGHMYDZGIHP-UHFFFAOYSA-N
-A9937946F0D80A7A_6E21EB21851E1718_7019_UN,OC3(CC1CC(=NO1)C=CC2=C([N](=O)=O)C=C(C(=C2)Br)Cl)COC3,MTWSJHRPRKRFBC-UHFFFAOYSA-N
-AAA0623BC8D46C7F_788F8C753EC54AF2_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC=C([N]3C=C(C)C=N3)C=C4)(=O)=O,KQRWKDDLNXCUPX-UHFFFAOYSA-N
-AB0506F00F2FC9B4_039812A22B122BFC_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4(C(N(C)C)=O)CC4,HEZKAOIKQKYIQP-UHFFFAOYSA-N
-AB2010F7153DBA89_E1303CE4F40E6D78_6039_UN,CC(=O)C1=CC(=C(C=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,MGAQYFAMSBHBPH-UHFFFAOYSA-N
-AC6A456C9C8AEFFE_D5CFA036A92F6A03_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC3C(OC)C(C3)(C)C)C,QVJXQEVLRKFZHT-UHFFFAOYSA-N
-AC85C951DCBF61F5_940710707CE918E7_6004_UN,CC2=C(C=C1N=CC=NC1=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,VLQNXGHGUQXAHP-UHFFFAOYSA-N
-ADD0BE4ED4A869E4_EB67B80439CB7A6D_6026_UN,[S](=O)(=O)(C1=CC=C(I)S1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,CPPAZLSKAXPYDY-UHFFFAOYSA-N
-AE28BED4088CAC3D_4CADDF86EC2C3FFD_6026_UN,CC1=C(C(=CC(=C1)Cl)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,OTVNHXBFFOUADT-UHFFFAOYSA-N
-AF7BBCBB9FEACA44_FBD493A7C207D813_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C(=C(C)C=C3)F)C(=O)O,WEQIJTZJLMSHBQ-UHFFFAOYSA-N
-B0A39608B3B8B2E6_4695D7CC51FA8C82_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)F,VSJQNKMPHPMJDK-UHFFFAOYSA-N
-B34FD9ED629169E7_C2D411B5DFD9809D_6006_UN,OCC(=O)C1=C(C=CC=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3,HCIKCHWIMNWBBH-UHFFFAOYSA-N
-B4C4964A348A1275_6963AF9D30DFCA3C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=C(C=C(C)C=C3)C)CC4,PZZNRCSBDSKSQI-UHFFFAOYSA-N
-B4C9EB9386E736ED_2961D6CCFC89BAD5_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C4=CC(=C3C=CC=CC3=N4)C)(=O)=O,PTNPGWSCBLAEDK-UHFFFAOYSA-N
-BA2403B91F5E51AA_CC05112B2130B3CC_6005_UN,ClC1=CC(=C(C=C1)[N]2C=NN=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,JUMIVHDBPSHMRZ-UHFFFAOYSA-N
-BA737390793F0B05_A94179976F0F94D1_6038_UN,CCC(CC)C(CNC(C1=C(C(C)C)C=N[NH]1)=O)N(C)C,UGBAWTWOYAIZNX-UHFFFAOYSA-N
-BAE99E7094194B8E_A3605C011B936A11_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(OC)CN,NKBPNEAARBDDCD-UHFFFAOYSA-N
-BC3A392E9BE18A1D_75C1A4F337F8B407_6031_UN,C[N]1C=C([N](=O)=O)C(=N1)OCC(=O)OCC2(C(OC)=O)CC=CC2,RQKWCBPINXZRJA-UHFFFAOYSA-N
-BCFDD178C26A04BD_D51FFB51F51D7636_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C=C(C)C=C3F)C(=O)O,ILNPWYXWEYRQRA-UHFFFAOYSA-N
-BD317F51A2557668_E4F54B78FA1EE63F_6036_UN,C(C1=N[N](C=C1)C2=CC=C(C=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,WVTXHDVKYIKZHF-UHFFFAOYSA-N
-BFB94BB161D41F8E_3E5399ABA707F6DD_6004_UN,OCC(=O)C1=CC(=CC=C1)C2=CC3=C(C=C2)C=C(O)C=C3,CWEYTVPTDHQDTF-UHFFFAOYSA-N
-BFD4850230BAF7CF_05CC14F6369AF8CF_6041_UN,O=[N](=O)C1=C(N=CC=C1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,HJGFMISQZMEUOI-UHFFFAOYSA-N
-BFD4850230BAF7CF_7407B016C79FDA46_6041_UN,O=[N](=O)C1=C(N=CC=C1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,HJGFMISQZMEUOI-UHFFFAOYSA-N
-C039D2EA95E335C0_162CFA9C38FE2E74_6029_UN,C1C=C(CN1[S](C2=CN=CC(=C2C)C(F)F)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,RHHZQBRQFNJCCM-UHFFFAOYSA-N
-C26386390C327F4B_100511E02DE36F4B_6036_UN,CC1=CC(=C(C(=C1)Br)C)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,UOUOIVBTVOQYNB-UHFFFAOYSA-N
-C26C254ABE336925_3B7E71D5FB40106B_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCC(OC)CN,GLYMTYLRKAPQMA-UHFFFAOYSA-N
-C2C890E5F487E74D_482DD582441A60B8_6041_UN,CC1=C(C=CC(=C1)N=C=O)NC3=CN=C2C=CC=CC2=C3N4CCN(CC)CC4,RAZKVGAFSYQTSU-UHFFFAOYSA-N
-C367530486403CFF_F50F09100CF70C08_6035_UN,COC(=O)C2(CC(OC1=C(OC)C=C(C=N1)[N](=O)=O)C2)C(=O)C,AFFQZUHWAKQECS-UHFFFAOYSA-N
-C3DE70EB34448F35_CB5DE573045604F5_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C(C)C=CC=C23)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,DYWCEKXVKZMNPK-UHFFFAOYSA-N
-C45544383C7DF56A_1FD7D956C5FC7409_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C(=CC=C3)F)C(=O)O,IHQQEIVNJKDSCZ-UHFFFAOYSA-N
-C73A016206FA5246_F8F36001487E143E_6038_UN,N(C1=C(C=C(C=C1)N2CCCCC2)F)C(=O)C3=N[NH]C=C3[N](=O)=O,DYCSJRVLHHSIQV-UHFFFAOYSA-N
-C74F5B955D506F3B_8E65A0E14A7F1C63_6029_UN,C1CN(CCN1[S](C2=CN=C(F)S2)(=O)=O)C3=NC5=C(C(=N3)C4=CC=CC=C4)C=CC=C5,RMMNVMJINKAVPK-UHFFFAOYSA-N
-C7ECA0498E503509_05AF07F99091F445_6029_UN,C1C=C(CN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,UICSSRHMIBDEGC-UHFFFAOYSA-N
-C8D0647F836E78C4_CBC563F393EB04C7_6041_UN,O=[N](=O)C1=CC(=C(C(=C1)F)F)NC3=CC=C(N2CCN(CC)CC2)C=C3,PENULUJEZCOTIB-UHFFFAOYSA-N
-CAF94DE7A2FF12C6_4CB0691D315DFCDD_6029_UN,C3CC1=C(C=CC(=C1)C2=CC=CC=C2)N3[S](C4=CN=CC(=C4)N5CCN(CC)CC5)(=O)=O,BOGMDLCOWNUGHE-UHFFFAOYSA-N
-CC2B51B78A83A2A4_DE93AF22A3885686_7022_UN,C2(=C1C=CN=CC1=CC=C2)OC4=CC=C(C(N3CCN([S](C)(=O)=O)CC3)=O)C=C4,LGJIUVUAZKVTAD-UHFFFAOYSA-N
-D4172F5888AD4D0C_A221133D22103B04_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=CC=C3)C4CC4,RBELDGFGEKOPIX-UHFFFAOYSA-N
-D803626018D550C9_4019EF7550B42845_6035_UN,CC(OC1=C(C#C[Si](C)(C)C)C=CC=C1)C2=C(N=C(N=C2)C)C,OMOGBGRQBDTAJI-UHFFFAOYSA-N
-D8F86753858D2486_985805C3B9DA9EE1_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C[N]3C4=CC(=CC(=C4)C)C)(=O)=O,GMUKNPOPVNTYMW-UHFFFAOYSA-N
-DB0E1AD267B6B936_36DCE3D91B081237_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C)C=C(C(=C3)F)C(=O)O,MHYFWZGMZQEOPH-UHFFFAOYSA-N
-DB10ACD5EB96671F_8369D412F65909C9_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=CC=C(C=C4)C5NCCC5,YDPBJPPWPJYRSC-UHFFFAOYSA-N
-DB657710204E0B69_0AB4719E1F6FA077_6029_UN,C1CN(CCN1[S](C2=CN=C(Cl)S2)(=O)=O)C3=NC5=C(C(=N3)C4=CC=CC=C4)C=CC=C5,HLVZMOUTPWJWGR-UHFFFAOYSA-N
-DB72BC93FD039372_3111CF491044C15C_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C5=C4C=CC=CC4=CC=C5,ZHUNPYAMVPHLFP-UHFFFAOYSA-N
-DD5391BFD8F25E1F_4A52CDCE373369FD_6029_UN,C(N(C1CCC1)[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C3=CC=CC=C3,MLPPCWNUSOKVKX-UHFFFAOYSA-N
-DE4ACE097502CCBC_A3E553679DDF6D61_6038_UN,COC1=CC(=C(C(=C1)OC)CNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O)OC,MDMVKLFMBVATHY-UHFFFAOYSA-N
-DF83F6085CAB6B8E_51C79BF2BD7B4D79_6029_UN,OC1(CN(C1)[S](C2=CC=NC3=NC=C[N]23)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,VWULKAUTLCXREQ-UHFFFAOYSA-N
-DFDD7C7A20A7AFC5_1F9ECDBD73B6DA0A_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC(C)C2=C(C=C(C=C2)[N]3C=NC=N3)Cl,QRCJKMDTGXXFOQ-UHFFFAOYSA-N
-E001B2F291DE752E_BBC8E0F9466C132D_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(CC(C)C)C=CC=C3,YUKHZFRAZHEKEF-UHFFFAOYSA-N
-E0E74CAFA9C04A1B_F69BCC292044BEB3_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=C3N=CSC3=CC=C4)(=O)=O,CRWLJEFXTJRCSJ-UHFFFAOYSA-N
-E13D5C83ACA2A1C7_541B6D6036B7A269_6041_UN,CC1=CC2=C(C(=C1)C)N=CC(=C2NC4=C(C(N3CCCN(C)CC3)=O)C=CC=C4)C#N,FFAIIDAWERHOBH-UHFFFAOYSA-N
-E171915DE1AA8A6A_D817FE9DD095A8D6_6029_UN,CC1(CCN(CC1)[S](C2=CC=C(CS)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,XFRJCHKPIZEHRI-UHFFFAOYSA-N
-E4E29CE842E03AC8_0C4C410447F4A87F_6029_UN,C1CN(CCN1[S](C2=CC(=CC3=C2C=CC=C3)C(F)F)(=O)=O)C4=CC=CS4,SNJSVBHEWIYXKZ-UHFFFAOYSA-N
-E611E6120680665C_F66FF5E59A27D079_6039_UN,COC(=O)C1=CC(=C(C(=C1)C)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,GQSGJJHSPZEECP-UHFFFAOYSA-N
-E6197D8D827DA802_7458DE853351E489_6026_UN,CC1=C(C(=CC(=C1)F)C)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,MCYVNJFUYDRIML-UHFFFAOYSA-N
-E7E0F5521DA5B55D_ABD93663A04C7CEA_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,KTPZROKIDUYBLZ-UHFFFAOYSA-N
-E7FCE1211DCFA56C_96314A966ACDB0A4_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC3=CC=CC(=C3C)C[S](C)=O,IMDPOMTUWGQQQN-UHFFFAOYSA-N
-E955121398F4168A_1922C4BB4B1D3AC8_7019_UN,C(CN1C(=O)OC2=C1C=CC=C2)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,KGHFOAKFMJDSAG-UHFFFAOYSA-N
-E99965AA64796187_0D3F082DCC1690D6_6041_UN,COC1=C(C=C(C=C1)NC2=CC=CC(=C2)N3CCN(C)C3=O)N4C(=O)C=CC4=O,OCMSTVYTEFWNRO-UHFFFAOYSA-N
-E9EE20BF0E2E4F9D_00A33B97A8F27594_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4CCN(C(CC)C3=CC=CC=C3)CC4,GAYMEKSWWVQLOB-UHFFFAOYSA-N
-EA1AD69FB80DCA76_4165B8420E27DAEE_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C4=CSC=C4,JHYYZIOVHZJBKR-UHFFFAOYSA-N
-EA8F0ACC7B0DF730_B90CE39AD50DAAA7_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NC3=CC(=C(C=C3)C)N4CCC(N(C)C)C4)F,GSYKKGDJZSNOGI-UHFFFAOYSA-N
-ECC101A7457791A2_426E065A0C61536E_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCC(C#N)(CC3)C4=NC=CC=C4,IXJVYYLIRWCQTN-UHFFFAOYSA-N
-ED01CFA012DF7545_C33DC77A989CBB28_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC=C(CN3CCN(CC)CC3)C=C4,HASRULCZBINXFI-UHFFFAOYSA-N
-ED1E76F04E6BC468_2BBC3FC2C4008D91_6036_UN,CC1=CC(=CC(=C1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,YYXKHEDIXQTCDJ-UHFFFAOYSA-N
-EEC34D6376ECB8F0_E0A243E60A3012EE_6029_UN,C1C=C(CN1[S](C2=C([C@H](C)O)C=CC=C2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,ZXQOCYGRYLKWDH-INIZCTEOSA-N
-EF3105C0BD08843E_85FCDD6BFB7ACEF8_6028_UN,N(N1C(CC1)=O)[S](C2=C(C(OC)=O)C=C(C=C2)Br)(=O)=O,VXLRNACDVIFSMB-UHFFFAOYSA-N
-F03C45C463B170C5_65BE59F48D66D492_6029_UN,C1N(CCN(C1)C2=NC3=C(C=C2)C=CC=C3)[S](C5=CC4=NC(=C[N]4C=C5)C(C)(C)C)(=O)=O,LJTVMBCWLVYFHC-UHFFFAOYSA-N
-F069E027F7BDD263_298BA9A8DB503E4E_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4CCN([S](N(C)C)(=O)=O)CC4,BVEDJAHUTJOABZ-UHFFFAOYSA-N
-F23BEEF78E8DDDE5_9E67E9B1251E4235_6036_UN,C(C1=N[N](C=C1)C2=CC=C(C=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,LMXHOOGYRJCZBM-UHFFFAOYSA-N
-F30D9EB484877216_4FBAD5CCA483F63E_6004_UN,CC2=N[N]1C=C(C=C(C1=N2)C)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,RPBSKOQVAPWWIR-UHFFFAOYSA-N
-F3ECC104E1E83BC9_0B91AAB9DD25A60E_6006_UN,OCC(=O)C1=C(C=CC=C1)C2=CC3=C(C=C2)C=C(O)C=C3,FHPSNKMZYKAJJW-UHFFFAOYSA-N
-F42FBAA400B4D1EC_6D6088D68C53CDDC_6041_UN,COC2=C1C(=NC=NC1=CC=C2)NCC3=CC=CC(=C3)C[S](C)(=O)=O,BKXPRYHWTVZWIG-UHFFFAOYSA-N
-F99A0C204AEF3642_F1E1B011608E9F3D_6006_UN,CC1=C(C=CC=C1)N5C(=NC2=C(C=CC(=C2)C3=CC(=CC=C3)C4(O)CCC4)C5=O)S,RVOLHECYLCTXAS-UHFFFAOYSA-N
-FA23377DCBFD2821_E8D7CED8B39827E4_6038_DP,COC(=O)C1=C(C=CC(=C1)OC(C(C)=C2CNC2)=O)[N](=O)=O,CMKPNPPAKDHCJB-UHFFFAOYSA-N
-FA751B58EE0D4E6C_CF5E64E5529F567B_6041_UN,OC(=O)C1=C(C=C(C(=C1)F)F)NCC2=NN(C)C(C2)=O,CHTHSPKYIDCGMU-UHFFFAOYSA-N
-FA7936B30DE6E3DB_2D7035E26A443BD8_6039_UN,CC(C)C(OCC1=C(C(OCC)=O)CNC(N1)=O)CN(C)C,RPROGCJIEMXYHJ-UHFFFAOYSA-N
-FD7C6DB10F762B14_630A1529884CCC7A_6004_UN,CC1=NC(=C(C)[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,PPEIUSZVFICJEB-UHFFFAOYSA-N
-FE42280661F193B9_7D9A42B06C628A73_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,ASRBCQYVEIBUTL-UHFFFAOYSA-N
-FE7971E3A8C1AFD3_551AC087C2E401AC_6039_UN,C[Si](C)(C)C#CC(OCC1=CSC2=CN=C[N]12)CC3=CC=CC=C3,XGRYOMDRXGAEBS-UHFFFAOYSA-N
-rxn:2:101295:162580,CCC(N[C@@H](C)c1cccc(N2CCN(C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,RWTMAKSFLCLKRS-QHELBMECSA-N
-rxn:2:110639:148296,CN1CCC(Cc2ccc3c(c2)OCO3)(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)C1,OUWQYAXOIKHCBN-UHFFFAOYSA-N
-rxn:2:111852:81554,C[C@H](NC(c1cccc(CN2CCSCC2)c1)C1CCCC1)c1cccc(S(C)(=O)=O)c1,UDNSBQNZQVHATA-DQUNLGLBSA-N
-rxn:2:111965:143203,Cc1ccc(C(C)NCC2CCN(C3CCCC3)CC2)cc1-c1cccc(S(C)(=O)=O)c1,JRLLUFCBUMZPAE-UHFFFAOYSA-N
-rxn:2:112266:138789,CC[C@H](NC(c1ccc(CN2CCSCC2)cc1)C1CCC1)c1cccc(S(C)(=O)=O)c1,CBMIBDOVOXRGNG-PMCHYTPCSA-N
-rxn:2:114546:160378,CC1(c2nn(C3CCCC3)c(NC3CCc4cccc(-c5cccc(S(C)(=O)=O)c5)c43)c2C2CC2)CC1,FQCUSVSKLRZMDN-UHFFFAOYSA-N
-rxn:2:114546:168895,CC1(c2nn(C3CCCC3)c(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)c2C2CC2)CC1,CQXHBMCDWCSYQJ-UHFFFAOYSA-N
-rxn:2:116102:145721,Cc1cc(C(C)NC2CCC(c3nc(C4CCCC4)c(C)[nH]3)CC2)ccc1-c1cccc(S(C)(=O)=O)c1,PEDWIZLBYQOCNZ-UHFFFAOYSA-N
-rxn:2:120807:118123,CC(NC(c1ccc(CN2CCSCC2)cc1)C1CCCC1)c1cccc(S(C)(=O)=O)c1,MXVMVDMRFYKSBA-UHFFFAOYSA-N
-rxn:2:120807:81554,CC(NC(c1cccc(CN2CCSCC2)c1)C1CCCC1)c1cccc(S(C)(=O)=O)c1,UDNSBQNZQVHATA-UHFFFAOYSA-N
-rxn:2:122069:134784,Cc1cccc(C(CN2CCCSCC2)NC2(c3cccc(S(C)(=O)=O)c3)CCCC2)c1,KBEGWLNTZCUUNU-UHFFFAOYSA-N
-rxn:2:124224:164871,CC1CCN(C2(CNC3COc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc43)CCCCC2)CC1,WITQDTZPXCKUET-UHFFFAOYSA-N
-rxn:2:66420:172021,CCC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1cccc(-c2ccc(C3CCCCC3)cc2)c1,GMINRXXRLFGATB-UHFFFAOYSA-N
-rxn:2:66786:157448,CCN1CCC(CNC(C)c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)(C2CCCC2)CC1,SBOYNINOVRMJNT-UHFFFAOYSA-N
-rxn:2:66786:166419,CCN1CCC(CNC(C)c2csc(-c3cccc(S(C)(=O)=O)c3)c2)(C2CCCC2)CC1,HFPPKMOCAOAYJG-UHFFFAOYSA-N
-rxn:2:66786:168895,CCN1CCC(CNC2COc3cc(-c4cccc(S(C)(=O)=O)c4)ccc32)(C2CCCC2)CC1,YIWUQLSCUYRCAD-UHFFFAOYSA-N
-rxn:2:67990:160378,CC1(c2c(C3CC3)nn(C3CCCC3)c2NC2CCc3cccc(-c4cccc(S(C)(=O)=O)c4)c32)CC1,YQHXOHGLNYWVMD-UHFFFAOYSA-N
-rxn:2:67990:168895,CC1(c2c(C3CC3)nn(C3CCCC3)c2NC2COc3cc(-c4cccc(S(C)(=O)=O)c4)ccc32)CC1,WWUSEKQWTKNHAS-UHFFFAOYSA-N
-rxn:2:68206:162580,CCC(NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ZZFJVWRVNVRFDF-UHFFFAOYSA-N
-rxn:2:70363:163743,Cc1cc(C)cc(C(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)C2CCSCC2)c1,VRSRJAJPUAJRJP-UHFFFAOYSA-N
-rxn:2:70472:155627,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,JKJJLUOJRTVAPG-UHFFFAOYSA-N
-rxn:2:72495:121598,CCN1CCC(CN2Cc3ccc(NC(c4cccc(S(C)(=O)=O)c4)C4CC4)cc3C2)C1,QMLRCHOORDVGCK-UHFFFAOYSA-N
-rxn:2:81165:121598,CCC(CNC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1cccc(C2CCCN(C)C2)c1,PRKXWQGOTOBSJN-UHFFFAOYSA-N
-rxn:2:81199:160378,CC1(c2nn(C3CCC3)c(NC3CCc4cccc(-c5cccc(S(C)(=O)=O)c5)c43)c2C2CCC2)CC1,LEHOHMJJELSJKU-UHFFFAOYSA-N
-rxn:2:81199:168895,CC1(c2nn(C3CCC3)c(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)c2C2CCC2)CC1,PVNBDZLDKSHUAX-UHFFFAOYSA-N
-rxn:2:83283:168895,CC1(c2c(C3CCC3)nn(C3CCC3)c2NC2COc3cc(-c4cccc(S(C)(=O)=O)c4)ccc32)CC1,KQYNDWXJXYWCSI-UHFFFAOYSA-N
-rxn:2:86261:148822,CCC(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)(c1ccccc1)C1CCCC1,BJDDAYUALLYGTA-UHFFFAOYSA-N
-rxn:2:97393:163743,Cc1ccc(CN2CCC(CNC(c3cccc(S(C)(=O)=O)c3)C3CCC3)CC2)c(C)c1,FYJYKNIRFYFCQE-UHFFFAOYSA-N
-006E1180FA420800_778B49607AA555C3_6034_UN,CCC1(C)CC(=O)N(C1=O)CCNC2=C(OC)C=CC=C2,FIEXCZMQHJLTIX-UHFFFAOYSA-N
-00B9AF047561DFBD_D8F280130A1C5776_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3=NN(C)C(CC3)=O)=O,WADRQHURFOIMBW-UHFFFAOYSA-N
-0289A80925926538_6BBE5BDAE4AD09CD_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,UIOPSCHUJGPSEO-UHFFFAOYSA-N
-03B02EA2A8ECE839_6ADE1A81B7B165A9_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3(ON=C(C)C3)C)=O,HQHSOEHWPASTEO-UHFFFAOYSA-N
-04382EDEEDE40841_D4211A3087383815_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)O4,AEUGPALTFYMMRT-UHFFFAOYSA-N
-060C3367D72BE672_2F32F1EC7800095C_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N3CC(OC)(C3)C4=NN=C[N]4C,ZIXPTTLSBOOTRR-UHFFFAOYSA-N
-063E1466992BA58B_6D8BAF991D29CEC7_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=C(OC)C=C(C=C3)I)(=O)=O,LPOPEBRUPXNPIV-UHFFFAOYSA-N
-06458E8AFE668F18_C21CBB43930D1402_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CBr)(=O)=O,KDEGHSGGRIDKJH-UHFFFAOYSA-N
-065FD54B9888DF1D_D3486A09AC6D99D5_6029_UN,C1CC(=CCN1[S](C2=C[N](=C(C)C=C2)=O)(=O)=O)C3=NC=CS3,HTHCLPNCRMOKBB-UHFFFAOYSA-N
-0858114B9CD0B2FE_D72A6BA1F1DACFC5_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)N[C@H]3CC(OC3)=O,BYJLEDKPRYIQRW-QMMMGPOBSA-N
-0A4F171D048FF453_1795D221E40BA1B2_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C=NOC)C=C2)=O,XMDHPXFBXXAVLN-NSHDSACASA-N
-0CF3C766ECE9BDD1_1BBB5EFE62598600_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CCN(C3=C(C=C(N)C=N3)Cl)CC4,QQGGABDWCDQUON-UHFFFAOYSA-N
-0DA2524441A3D3ED_13C3BE248280269C_6041_UN,C1(=NC2=C(C=N1)C=CC=C2)NCC3(C[S](C)(=O)=O)CC3,OQKXQTOKPQPHHT-UHFFFAOYSA-N
-0DC59D2DCD2AE1A4_9A2EC451ACFA885A_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=CN=C(N2CCN(C)CC2)C=C3,RIMUSBSIXCMWKA-UHFFFAOYSA-N
-0DC59D2DCD2AE1A4_BDF0E6B128C31A37_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=CN=C(N2CCN(C)CC2)C=C3,RIMUSBSIXCMWKA-UHFFFAOYSA-N
-0E24BB73009CE233_DD3E26B6F7C670C0_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,VSZJPCHOEXUFKS-AWEZNQCLSA-N
-0F26327C0C540C44_15CDF91D8975F906_6004_UN,C[N]2C=C1N=CC(=CC1=N2)C3=CC4=C(C=C3)OC(C)C4,CDGLTWMIHYGDAO-UHFFFAOYSA-N
-1034AC50DBDEA886_63DFB78CD6AFE068_6029_UN,C1CN(CCN1[S](C3=C[N]2C=CN=C2N=C3)(=O)=O)C4=CC=CS4,JIJXXGYZQMHFTC-UHFFFAOYSA-N
-10C4E82ABB6D8ADF_B10F59C59B8C9200_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC4=C(C[S](N3CCC(C)CC3)(=O)=O)C=CC=C4,YPGSCLHRCKVTFH-UHFFFAOYSA-N
-11AB1F0004ED0BEF_D78683A88E518192_6038_UN,CC2=C(OC(C(OC)C1=CC=C(C=C1)F)=O)C(=O)OC2,JJQAQBZUSKWFHI-UHFFFAOYSA-N
-128D01118D5D6CCD_3868E5F76E6DA16E_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C[N]3N=NN=C3C(C)C)=O,WGSOZVLIGRJPAM-UHFFFAOYSA-N
-12A1DA77EEAF8830_2C0156B6FF8B4748_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4,GTPMZAUCZIOWOB-UHFFFAOYSA-N
-13BE2966BB3102C0_5A676933BBF1ACC8_6029_UN,CN1CN(CC1=O)[S](C2=CN=C(OCCN(C)C)C=C2)(=O)=O,FGXDYPOPZPMWTD-UHFFFAOYSA-N
-14F34A391C9DBAD6_07C30655E9CB6A95_6041_UN,COC1=C(C(=NC=N1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C,YDUPKYLFEBYQCZ-LBPRGKRZSA-N
-1575A097CC0EDFFE_ED07167990898ABB_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)CCl)(=O)=O,MTUXAXHFKZKQLP-UHFFFAOYSA-N
-1575AE2E93CDEF60_E153EF05258AC574_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NC[C@H]4OC(N(C)C4)=O,OMKTWTBZCWCYMU-CYBMUJFWSA-N
-193DB1DF6033D4E5_0F502A7D43884EDB_6029_UN,CC3CCC(CN[S](C2=CC=C(C1=C(F)C=CC=C1)C=C2)(=O)=O)CC3,DDDBBJXETMVPOJ-UHFFFAOYSA-N
-1A764B7CFBB039D2_95104D026E929088_6035_DP,N2CC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(C2)C(F)(F)F,RHUGUDDBNKPPTF-UHFFFAOYSA-N
-1ABC009B956BE5A4_54A9377E289A199F_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3(C[S](C)(=O)=O)CC3,FLQFWNCBHCRAFX-UHFFFAOYSA-N
-1C29D81A87F1FDA0_33091770E8255AED_6038_UN,CC(=O)C1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,FYYGAQHHKJPHBV-UHFFFAOYSA-N
-1C511D03F338B844_CBA322CF7136BB70_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC3(C[S](C)(=O)=O)CC3,DNZJDMVDPHRALL-UHFFFAOYSA-N
-1D70767B9ED4786D_EDA913A0FBDF806B_2201_UN,CC3CCCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VODZPLMSSKZVJP-UHFFFAOYSA-N
-1E1C3127F1C4BA4C_0A75ED89E495332F_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3([S](C)(=O)=O)CCOCC3,WZTLZMXVNIYMGF-UHFFFAOYSA-N
-205B1D088E739CBB_BB7C1E0172A8A884_6041_UN,CN1CCN(CC1)C2=NC=NC(=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,NJPADKJLYPSMRL-OAHLLOKOSA-N
-210184A08DFF6442_649981BE21ADD26D_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2C#N)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DMIDSYAKKCHHRT-UHFFFAOYSA-N
-210184A08DFF6442_78D2AD714B1F3C6C_6028_UN,C1CN(CCN1[S](C2=CC=CC(=C2C#N)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DMIDSYAKKCHHRT-UHFFFAOYSA-N
-22148A6D1F13978B_8AECAD3EED924DAC_6029_UN,N(CC1OC(OC1)=O)[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O,IPBAWCPNHQAEFY-UHFFFAOYSA-N
-24447538FA3FCE14_1BDF8E97A963466C_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,RRGSYMNQVPKCLB-IRJFHVNHSA-N
-25E009BCF1591122_9CC6268297022200_6035_UN,O(C(CC1=CC=CC=C1)C=C)C2=C(C(=CC(=C2)Cl)Cl)[S](=O)(=O)Cl,WKSCCMNRQHKINH-UHFFFAOYSA-N
-266C544847E7E882_5C6B23D5460F2DF0_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)[NH]N=C2)(=O)=O)C3=CC=NC=C3,NIRUFVQZRQKWFF-UHFFFAOYSA-N
-27BAF9FFFC9330F7_503A11BF86F51FE9_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3,OMUVMIOXKSIWOW-HDJSIYSDSA-N
-295391DFFDE45688_8BE46A59BDE1DB4A_6026_UN,[S](=O)(=O)(C2=C1OCCCC1=CC=C2)N4CCC(C3=CC(=CC(=C3)C)C)CC4,VQXMOHSOMGYUDU-UHFFFAOYSA-N
-2A6A02BFB7881587_2F32F11419D2DECF_6039_UN,CC(C)C1=CC=CC(=O)C(=C1)OCC(OC)C2=CC=CC=C2,VXJPTTQJBPTVTR-UHFFFAOYSA-N
-2AD15557A415C585_A47CFE29FFF0938B_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N(C3=CC=C(Br)C=C3)C4CCC4,MIHIQWQEPVOXGO-UHFFFAOYSA-N
-2B30320695898D19_9F8B527CB3932BCB_6029_UN,C1CC(=CCN1[S](C2=CN=C3C=CC=N[N]23)(=O)=O)C4=NC=CS4,XGNUSSYAAPDIIM-UHFFFAOYSA-N
-2BA363E29BC52A86_0BCE2B46033E755A_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C,PMMIQNQPNPANQG-LBPRGKRZSA-N
-2C3DAAB9B30D2F3F_DF198E3F991DC856_6029_UN,OC1C4=C(OC2(C1)CCN(CC2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O)C=CC=C4,QJFYKGFETWNJAD-UHFFFAOYSA-N
-2E1BD4C4B9F91637_8A1F9CBC76B91628_6006_UN,CN1CCNC2=C1N=CN=C2C3=C(C4=C(C=C3)OCO4)F,JTUZBOZJCDKQRT-UHFFFAOYSA-N
-2E2C4A7B60CC09F5_4D5582F5D2A7B5CC_6038_UN,CN(C)CC1=CC=C(C=C1)CCNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HWVVBKMWOXKVCG-UHFFFAOYSA-N
-2EA51A79B62DA9CA_53FEA7B0C478AF5B_6029_UN,C1CC(=CCN1[S](C3=C[N]2C=CN=C2N=C3)(=O)=O)C4=NC=CS4,ZINKIOWGOAXZPB-UHFFFAOYSA-N
-2EC9C79836CEE409_C8CCE7ADF0620FA1_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(C(O)CCCO2)C=C3)(=O)=O)C4=CC=CC=C4,HUPAZXIQLUTRJZ-UHFFFAOYSA-N
-2F563C9CF2B61A6E_571DAE8670CBEB9A_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2(C)C3=C(OCC2)C=CC=C3,JSEKZIFOUFSLMP-UHFFFAOYSA-N
-33BE8906F56CBEDD_BC605760CBD72DFD_6041_UN,CN4CCC1=C(C(=NC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)C4,KYJRLQAHKFKTDZ-INIZCTEOSA-N
-34C9DFE2229AC265_1378533D2A9493E1_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2(C)COCC2)C=CC=C3,MOZCMROOZHNSDW-UHFFFAOYSA-N
-3605380AE243D0E5_457F6DC64FF3D74E_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=NN=CC=N4,PHGPVELSSXTZEM-UHFFFAOYSA-N
-364EF6B7F7E34BDD_2713524C4052C34D_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,KEEYFDBFPXQLTN-UHFFFAOYSA-N
-36D00AD7DD39B16B_532F3F6B7CC33450_6038_UN,CC1=C(C(=CC=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,ZMGDXRUGKFLIDK-UHFFFAOYSA-N
-37215AFB3A26997C_68AEF0C459B73755_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=N2)Cl)(=O)=O)C3=CC=CS3,UJTHNCFZNKLUTF-UHFFFAOYSA-N
-39600FF4208B5547_90E912F238EE0F38_6035_UN,O(C1=C(Br)C(=O)CC1)C3=CC=C(B2OC(CN(C)CC(O2)=O)=O)C=C3,XWUXSTUNOIIMQM-UHFFFAOYSA-N
-3A08AA1306EDB55E_058E7E97BECD956D_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,HKAWYTYHUZQZAA-LBPRGKRZSA-N
-3A547AE0FA1F18A4_2F4BB1AC009961B8_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NC3=CC=CC(=C3)N4N=C(C)CC4=O,UMOCPGPPDQYFQS-UHFFFAOYSA-N
-3BA80CB83D540591_F8B4F038E07E46E4_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=CC=CC(=C3)SC)(=O)=O,DXYPDPIUGJGWII-UHFFFAOYSA-N
-3BC0D3192266EF8C_969DFE1FC151454C_7019_UN,CC2=NN=C(C=CC1=CC=C([Si](C)(C)C)C=C1)[N]2C3CC3,LFVQDAYZBAVBAC-UHFFFAOYSA-N
-3CD4CB98950D12C2_B4304243A2B917B0_6029_UN,N(CC1=C(C=CC(=C1)Cl)O)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,XTTDLAKPWKPSIB-UHFFFAOYSA-N
-3D1693F27F6788F5_30E4EDF66CD59C42_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCSCC4,BWZIYDOGFFLVQI-UHFFFAOYSA-N
-3E3323D693DE85BA_9511BCCA5E16636C_6036_UN,C(C1=NN=C(O1)C2=C(C=CC=C2)Cl)N3[S](CCN(C)CC3)(=O)=O,QRLQPARQUZLCMC-UHFFFAOYSA-N
-3E35BB594347BC4E_37998FCC05035F82_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CCC(C[S](C)(=O)=O)CC3,MMFYYZNYIACINB-UHFFFAOYSA-N
-3E95E79CDBA04C09_ED91D645B75CA9B1_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2(CCSCC2)C#N)C=CC=C3,AXRGHGGSXRWZLW-UHFFFAOYSA-N
-3EFBD49AA6D32006_0B776928BD70B937_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(F)CNC4,FNAGZUBIDOKSOJ-UHFFFAOYSA-N
-3F4C318484B69891_0181A00A00E65F4A_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=C(SC)C=C3)(=O)=O,WMRYBNRPFNDYLT-UHFFFAOYSA-N
-40A40BF0D64D1697_985D02F3BD58445E_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(F)(F)C#N)C=C3)(=O)=O,JKFASVGQXBDPSS-UHFFFAOYSA-N
-422323086A82F5B6_077E3DE3DF646C60_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC4(SC3=CC=C(C)C=C3)CCCC4,DMAURIXRRKBSJY-UHFFFAOYSA-N
-42D8964758DCCB5E_46C6D8FEC8E0832C_6041_UN,OC(=O)C1=CSC(=N1)C2=C(C=CC=C2)NC[C@@H]3OC(OC3)=O,ZBCUZCINOZZPNK-QMMMGPOBSA-N
-45133860EB8B3904_0B831C19D7C87189_6029_UN,N(N1C(CC1)=O)[S](C2=CN=C(OCCN(C)C)C=C2)(=O)=O,INVJMKRJWHOPCA-UHFFFAOYSA-N
-453AB82BD588A85A_1618DE7C46D35576_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC(=CC=C2)NC4=C3COC(C3=CC=C4)=O,BXKBHPMIMYNDTB-UHFFFAOYSA-N
-463EFEB43340E8DE_FFDD1DD3E1291FAC_6029_UN,C1CC(=CCN1[S](C2=C(C)C=CN=C2)(=O)=O)C3=NC=CS3,RBXNZZIITSHDOC-UHFFFAOYSA-N
-47F6A054D3017ECF_6640A172B3DAC80B_6029_UN,COC1=CC2=C(C=C1)N(CCCC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,DGJHRHJWDMUVTH-UHFFFAOYSA-N
-48077D2FD4A22FC2_C8C0F9E94036CD78_6038_UN,COCC(NC(C2=NOC(C1=CC=C(C)C=C1)C2)=O)C3=NN=N[NH]3,QXCMKJPOLUDHPY-UHFFFAOYSA-N
-498E166B6E293246_50F492022D832706_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(SC)C=CC=C3)(=O)=O,IACLSFMDDDCISV-UHFFFAOYSA-N
-4C451E3E62B53728_A8DE4C2CBFF221F8_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,VSZJPCHOEXUFKS-CQSZACIVSA-N
-4C60E09283D27043_3D8A63061F26ED7F_6041_UN,CC2=C1C(=NC=NC1=CC=C2)N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3,LHLMRLJEUNJZKX-HAQNSBGRSA-N
-4DCF12FE0B94FB3C_F8286A767E947704_6028_UN,C1C[C@@H](CN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)OC3=CC=CC=C3,PUMVCUOHQRFGMI-KRWDZBQOSA-N
-4EC3CD0A8EA7130C_44757C3EC6BAD37C_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[N]3C=C(C)C=N3)(=O)=O)C4=NC=CC=N4,ILGPXTAUYRTRET-UHFFFAOYSA-N
-4F9ACFFC6C469E9B_4108BF8DFDF63EF5_6029_UN,C1C[C@@H](CN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)OC3=CC=CC=C3,SSZUDXLWGVFJBY-KRWDZBQOSA-N
-4F9B2234C220A1D7_69053EB5E5B87B17_6038_UN,C[N]1C=NN=C1COC(C3=NN(C2=CC=C(C)C=C2)C(CC3)=O)=O,HTGIJKLVEXTRQG-UHFFFAOYSA-N
-4FE1280046F2A569_EF93C5C4585CD2C7_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NC3CC([S](C)(=O)=O)CC3,ZLZOQGNSJBAZTM-UHFFFAOYSA-N
-50AA7CB993A20FD3_E2C6D787C8815424_6028_UN,CC2=C1N(CC(C1=C(C=C2)Br)(C)C)[S](C3=CC4=C(C=C3)OCCCO4)(=O)=O,SXPFOIWYXNDUAT-UHFFFAOYSA-N
-539963FA2ED8D719_7C7FCCD9FCFD3952_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)N=CC=C3)CC4,LZEBMJOPAULSOH-UHFFFAOYSA-N
-53A52C6E67A369B3_8B1174153DFDFDD7_6029_UN,FC1(CN(C1)[S](C2=C(C=CC=C2)N3CCCCC3)(=O)=O)C4=CN=CC=C4,NFSGCMRCPJUROX-UHFFFAOYSA-N
-56658D0AE21917B4_CC985A60FE3BD8D3_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=CC(=C2OC)OC)C,VZEDXMZYGGMJAI-UHFFFAOYSA-N
-569D1927499C8113_998980918AB6EBA9_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC#N)F)(=O)=O)C3=NC=CC=N3,TXWJHXMZZGABRT-UHFFFAOYSA-N
-56E3917EF6D3D8B5_74DDA68BD4579FB3_6028_UN,C1CN(CCN1[S](C2=NC(=CS2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=NC=C4,RPCLKUINGXWQDL-UHFFFAOYSA-N
-57142E171552A061_5931C3F8C3FA113D_6029_UN,OC1(CCN(CCC1)[S](C2=C(CC)C=C(C=C2)F)(=O)=O)C3=CC=CC=C3,HOULKDGOIXEDCQ-UHFFFAOYSA-N
-57B7C2A1AC00012E_04D60BF6EAABDBC3_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,RONAYOBBPFNINA-UHFFFAOYSA-N
-57F496E1DBEBEF2A_F142F010E73F2CE5_6041_UN,OC(=O)CC2=C(C=C1OCOC1=C2)NC3=C(C)C=C(C=C3)C4=NN=CO4,AUSOQUIRBDXCIE-UHFFFAOYSA-N
-5931B1596FD8E9D2_2555581976BE92C0_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC=C(SC)C=C3)(=O)=O,BAKNSESIWSMTLF-UHFFFAOYSA-N
-5A359BE2F4CBEA5D_733CBDBF82D2FCAD_6038_UN,COC1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,RYHBPDQPUGZGDX-UHFFFAOYSA-N
-5A37ADA7856C64FC_F5F4F71B34FF0599_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=[N](C=C3)=O,YNQFVQPTILEPOM-UHFFFAOYSA-N
-5A8C8207E86C4933_9008392557E976AB_6029_UN,O=C(C1=CN(CCC1)[S](C2=C(O)C=C(C=N2)Cl)(=O)=O)C3=CC=CC=C3,FAAGQIVCSWAAMV-UHFFFAOYSA-N
-5ADB55F423EA0227_A08EE36739E679C0_6041_UN,C1(=CC2=C(C=C1)OCC2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,MXIBBRDELDNAIR-UHFFFAOYSA-N
-5C55870C1AC0D493_490FA70B82A17C66_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)I)(=O)=O,GWBFZHCYAREYML-UHFFFAOYSA-N
-5E07D3594D227B37_10DD63D9E7827B18_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCC(C)(C)CC3,IQZQTSNPIKVTAA-UHFFFAOYSA-N
-5EF5E6280BEF6D2C_0D406FE1524E3E9F_6041_UN,F[S](=O)(=O)C1=CC=C(O1)NCC3=CN=C(N2CCCN(C)CC2)C=C3,BZEQYJOCYRGXQF-UHFFFAOYSA-N
-60C4F15815798A8E_10C82C5A3D0E3C39_6041_UN,OC(=O)C1=C(N=C2SC=C[N]12)NC3=CC=CC(=C3C)N4CCOC4=O,KSTPUHVCOHKFNS-UHFFFAOYSA-N
-6268C78DC4C48E35_00FCC821289119F4_6029_UN,OC1(CN(C1)[S](C2=C(C=NC=C2)C3CC3)(=O)=O)C4=NC=CC=C4,GREPKRKTGMUHID-UHFFFAOYSA-N
-63FBB4BE4E094F3C_E4DEE50057A6FA87_6029_UN,O=[S]1(=O)CC=CCN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O,KFQLCYCDQDFAOR-UHFFFAOYSA-N
-644E79F084C75EDE_3BA06D38EB27AA15_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC2C(C)COC3=C2C=CC=C3,SEPTUUHWXRMGJI-UHFFFAOYSA-N
-645CC9478E1FA197_4C82D4E926E3D849_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC(=CC(=C2)OC)O,UOGLFEBDGHLQLJ-UHFFFAOYSA-N
-64866137528B78EC_D2E12931C173A91E_6029_UN,C1CC(=CCN1[S](C3=C[N]2N=CC=C2N=C3)(=O)=O)C4=NC=CS4,QEHZISACYOALRK-UHFFFAOYSA-N
-650DD62C7DA3302E_A1762EC7AD01C16F_6029_UN,C1CN(CCN1[S](C3=C[N]2N=C(C)C=C2N=C3)(=O)=O)C5=C4C=CSC4=NC=N5,CUURFLWYKDPBPD-UHFFFAOYSA-N
-65BCE26DFD407560_E55F6A189345D39B_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,VRGZWUZPWIYWPI-UHFFFAOYSA-N
-669A37083D70D211_CBDA07A1A858C2A8_6038_UN,CN(C)CCC1=C(C=CC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,JBAMUGDCBSJUPG-UHFFFAOYSA-N
-67C5F946560E373F_46BE41072147F119_6029_UN,FC1(CN(C1)[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)C4=CN=CC=C4,JOSRPUWDPUSRDM-UHFFFAOYSA-N
-69547B6DF688DABC_E45737A513E0696C_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3(C[S](C)(=O)=O)CCC3,WKGLMQFPTADUTR-UHFFFAOYSA-N
-69C183098456E9D0_20CF06874A279E24_6041_UN,C2(=C1CCCCC1=NC=C2)NCC3=C(C[S](C)(=O)=O)C=CC=C3,JVWZJZGIPJKDEW-UHFFFAOYSA-N
-69C4B6922AE8FDCA_94AA6B681A69F01A_6038_UN,O(C1=C[N](=CC=C1)=O)C(C3(C2=NN=C(C)[N]2CC3)C)=O,KWVSGHJGWHLIJO-UHFFFAOYSA-N
-6A8EA8DE835D633D_B15DF6A9EC16B151_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)F)SC)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BGSQFPIWDGKYKH-UHFFFAOYSA-N
-6B1B1BF118CE4FA7_1554342290085ED8_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC2CC(C)(C)OC3=C2C=CC=C3,AZRKEGICUTZDRA-UHFFFAOYSA-N
-6B28A61BC7803631_4AA5BBF6DF50F6E4_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C[N](N=C3C(C)C)C,XOTRRIWQPMFZSJ-UHFFFAOYSA-N
-6F815C96F099D97A_423F5149850BE968_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C3=NC(=N[NH]3)C4CC4,CPBMASCRSRITRY-UHFFFAOYSA-N
-6FDB26CFD2B383D7_B7E12A455B31F27F_6029_UN,C1CC(=CCN1[S](C3=C2C=CC=C[N]2N=C3)(=O)=O)C4=NC=CS4,XUPRLBSGYGJWSK-UHFFFAOYSA-N
-71C9F095C95E742E_EB1581D93D178DF7_6029_UN,C1CC(=CCN1[S](C3=C[N]2N=CN=C2N=C3)(=O)=O)C4=NC=CS4,SWTRKHSJNQUYOY-UHFFFAOYSA-N
-7345404CBBD9CE1B_780E56C487EBDF26_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=NN=CC=N4,OYKWAEHFHMVFQQ-UHFFFAOYSA-N
-7435AA561C8D6DBB_F68D5F29D56EC21F_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]4C3=CC=CC(=C3OCC4)C,KTJIAWLUIIXSDN-OAHLLOKOSA-N
-74621CC4C925A5A2_2FBFC94BB8ECDF19_6029_UN,F[C@H]1CN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,XXYNWHUCXZVWJQ-CYBMUJFWSA-N
-74D62E858FB9F4AA_EEB6D0132EB2F5AB_6041_UN,COC(=O)C1=N[NH]C(=N1)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,UHSBYUSTBASBIF-UHFFFAOYSA-N
-780B05E947C2D04B_76C17DCF3C226455_6038_UN,O(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(C4=CN(C)C(C=C4)=O)=O,DKRQFWAPZUIRPB-UHFFFAOYSA-N
-7A4885F904C9C91C_276FB49188D53423_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)CN3CCN(C)CC3,PIGOSQPDGMOIGR-UHFFFAOYSA-N
-7A6C0567E890206D_93A4BF1830419337_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=C(C)C(=CC=C3)Cl)CC4,BWQQPLPDPRQARZ-UHFFFAOYSA-N
-7C640F945863D8EF_A69E19FD0201C1CF_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,UYHSIOMSKHAEEV-CQSZACIVSA-N
-7D1257458B6FC986_14DCA77127DF7ECE_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCN(C3=C(C=C(N)C=N3)Br)CC4,IBBSFUADSKAFCG-UHFFFAOYSA-N
-7D16BFD1564DE070_4DC8765757986B70_7019_UN,CC(C)N3CC(C)(C=CC2=C(SC)C=C1OCCOC1=C2)C3=O,PQZQZJFRYZXWRV-UHFFFAOYSA-N
-7FDC20E98383A519_F4264A6C0B6FC5DA_6038_UN,CN(C)CC1=C(C=CC(=C1)C)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,UPWKKOQNRRRVSR-UHFFFAOYSA-N
-8225E93B73DCE410_93AE76016407201D_6041_UN,CSC1=CN=C(N=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,RFHUIBQBHLKHCU-LBPRGKRZSA-N
-8260BB4F638F4C8F_536F027B397732FA_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC(=CC=C2)CC3=CC=CC=C3)(=O)=O,RZUMBSUSOHSKNF-UHFFFAOYSA-N
-83BBCF4C72DD875E_93D280DFE1AFB4A5_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCOCC3,NAGVSKFWJGHPQS-UHFFFAOYSA-N
-8405C4503358B949_15140DBBA41B25A7_6038_UN,CC1=C(C=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,NIOWLSVGYAHSOH-UHFFFAOYSA-N
-851F234F807D8BC2_27B6FD9A419B0D66_6041_UN,CC(=O)C1=C(C=CC(=C1)NCC2=C[N](N=N2)C3CCC3)C,CIACDCVQFGXOHW-UHFFFAOYSA-N
-855E048630626431_B3A1924BD58F32D8_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,YFJHGKGWXAWHFA-UHFFFAOYSA-N
-861A87C7730A6117_E4B7336E44946CED_6029_UN,C1CN(CCN1[S](C2=CN=C(C)N=C2)(=O)=O)C3=CC=CS3,UFICSUPLPYDQPP-UHFFFAOYSA-N
-8637C1F23AC69BB4_83BFF52BE6C1B726_6038_UN,OB1OCC2=C(C=CC=C12)OC(C[N]3N=NN=C3C(C)C)=O,KXKZDCZGXZXWSA-UHFFFAOYSA-N
-86A58BB851ADF5B3_079C5F3C986AE519_6029_UN,C1CN(CCN1[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O)C3=NN=CC=N3,JGIWRDGEJLWHIK-UHFFFAOYSA-N
-890FF3254EF01282_3D077C2F0553787E_6029_UN,C1CC(CCN1[S](C3=C2N=CC=C[N]2N=C3)(=O)=O)C4=NC=CS4,RMWYYWCBYXXEOB-UHFFFAOYSA-N
-8A5362C9C7A3F9FF_7747A35E52CA5868_6029_UN,O=C(C1=CN(CCC1)[S](C2=C(C)N=C(C=C2)Cl)(=O)=O)C3=CC=CC=C3,DGBWSCOFIQHBBS-UHFFFAOYSA-N
-8B0A5C4B0E7D3049_CE5B6BB79DF4D71E_6038_DP,CC2=C(OC(CC1=C(C(O)=O)C=CC=C1)=O)COC2=O,JCIAGPDLVILCDY-UHFFFAOYSA-N
-8C46E4EAEE07D239_2429DF99335D275C_6029_UN,FC1(CN(C1)[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=CC=CC=C4,SRQISBGVHIYGOR-UHFFFAOYSA-N
-8C623201E5BF65C3_D203838915143CD4_6029_UN,C1CN(CCN1[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,HKLJHNCRAMAFOE-UHFFFAOYSA-N
-8C74D5647CC2BBEB_7DCD57D9E264ECC6_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC(=CC=C3)Br)(=O)=O,MOODXDJIRIIZSV-UHFFFAOYSA-N
-8D4813B75E262A1B_61970554E6A8DFE2_6029_UN,COC1=CC2=C(C=C1)N(CCCC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,RXENDJXMTPANPT-UHFFFAOYSA-N
-8D7EDFAA0037589D_293DC85B9832EDAF_6041_UN,CN4CCC1=C(C(=NC=N1)N[C@H]3C2=CC=CC(=C2OCC3)C)C4,KYJRLQAHKFKTDZ-MRXNPFEDSA-N
-8DEA67F80759F5F8_31FBA4DB73491B15_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(N=C2)F)(=O)=O)C3=NN=CC=C3,SCIHEVFRHBTMAO-UHFFFAOYSA-N
-8E2C9322F9273353_C5F68A26BECD1C6D_6029_UN,C1CN(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=NN=CC=C4,DLWNFGISIDRCPV-UHFFFAOYSA-N
-8EAD96661683B2B3_1FEB8CD819A475D8_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC3=C(C=C2)OC(C)C3,UGSHVLNCKLORBR-UHFFFAOYSA-N
-905E8BBF76AC2671_9E121D92EE76C89E_7019_UN,CC1OCCC1C=CC2=C(N=N[N]2C)C3=CC=CC=C3,QYFUQFAYQOLSOD-UHFFFAOYSA-N
-90C7C14D16F38DB6_42898DEFB274123B_6041_UN,CC1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,QZSIFBRVMAGTOP-LBPRGKRZSA-N
-914C289AB74E7E67_5EC4509283A4B54D_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)Cl)(=O)=O,YWFKKNDUAAXMTE-UHFFFAOYSA-N
-91629459C4F0E232_E01CCFFA0A9B8EC1_6038_UN,CC2=C(OC(COC1=C(C(N)=O)C=CC=C1)=O)C(=O)OC2,GYAJZPVNGVGBPF-UHFFFAOYSA-N
-928648A7E75B38FF_DC9361FAA3F83F66_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)CBr)(=O)=O,LPHZGSHAEYVHCA-UHFFFAOYSA-N
-935BE0EDE2D12C4E_89B9C7ACABA21A57_6041_UN,OC(=O)C2=N[N]1C=C(C=CC1=N2)NCC4=CC3=C(OC(C)(C)O3)C=C4,RKNLPQFJRZMKQZ-UHFFFAOYSA-N
-93BE860EDA82FA25_A29CE56B70EAE14E_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)F)[S](C3=C(SC)C=CC=C3)(=O)=O,YUGWTDADLDFPMC-UHFFFAOYSA-N
-945D75F6FE2A5672_15BB0EBBC43EF900_6029_UN,CC1(CC(C1)N[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,GXAJNKOFAPCBGP-UHFFFAOYSA-N
-94A75DD015968A8F_7F58CCFB7CF43EC9_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O)C=CC=C4,VEWYZESLUIJUGK-UHFFFAOYSA-N
-9500D711D55A0C62_7C99AE50E5BB9390_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CCN(CC[S](C)(=O)=O)CC3,RIADLDRMHPYAFQ-UHFFFAOYSA-N
-95A492B71383258A_FC853D2E5F2F0D53_6041_UN,C1(=NN=N[N]1C2=CC=CC=C2)NC3CN(C)C4(C3)CCCC4,HJTXJEFSLHWOGI-UHFFFAOYSA-N
-966BA0343150A19A_E276233A304414D2_6041_UN,COC1=NC=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,CZQSKCNXDLXLRR-NSHDSACASA-N
-9763C6F4087AC12F_A14CB950132FA7BC_6029_UN,CC1(CCC(CC1)N[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,VJKFLMSZFPZGES-UHFFFAOYSA-N
-997E573D04DA14CC_50EAB4245DE36400_6041_UN,C[N]1N=NC(=C1NC2CN(C)C3(C2)CCC3)C4=CC=CC=C4,XRXMFPYJYYQYAO-UHFFFAOYSA-N
-9C68F6C9AA50B9D2_328BBE3BBBFC3781_7019_UN,CC(C=CC1=CC(=C(C(=C1)O)O)OC)C2=CC=CC=C2,GUNWIFALTBDMEH-UHFFFAOYSA-N
-9D4A465074376DCE_0858CBF293FCD74A_6038_DP,CC2=C(OC(CC1=C(C(O)=O)C=CC=C1)=O)C(=O)OC2,OZSIBENDJUWJPC-UHFFFAOYSA-N
-9D5890466E38ACD2_B8FCEA34A6A9F1B1_7022_UN,CN1CCC2=C1C=CC(=C2)NC4=NN=C(C3=C(C)C=CO3)S4,PWLUTTYWSJEBOB-UHFFFAOYSA-N
-9EB44725137DCADD_44B9C221AD753712_6041_UN,C[N]1N=NC(=C1NC2CCN(C)C3(C2)CC3)C4=CC=CC=C4,WGIKAXZMAKWAMT-UHFFFAOYSA-N
-9EFAE46B725B592A_DA5FF2E3EFB12E4B_6038_UN,COC1=C(C=C(C(=C1)COC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O)F,PAXMGPRXNJXWLP-UHFFFAOYSA-N
-9F1AEC457439435C_BC49E9560AC76430_6029_UN,FC1(CN(C1)[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=CC=CC=C4,LJQWUOUQIOGMLQ-UHFFFAOYSA-N
-A11413FFF6922EF3_9D4280D82E77A31A_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=NN=CC=C4,BSDIVZLJRIVOGZ-UHFFFAOYSA-N
-A2A6FDE1DA24D2E2_89E939B7394EE261_6041_UN,COC(=O)C1=C(C(=CC=N1)NC2=CC=C(C=C2)C3=NN=N[N]3C4CC4)C,KCRNVMLYMDBKOJ-UHFFFAOYSA-N
-A3636D56F81837B7_EAC5B36132EDBD97_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3C[S](CC3)(=O)=O,OJAXQNKFAYHLGA-UHFFFAOYSA-N
-A45C0BBCB46836D7_19D404B26F1BECF8_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,URYSRXBDVJRELD-UHFFFAOYSA-N
-A5FAD995EE307F89_D80CB328C1AC00F6_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC3C(OCC3)=O,BUQUDGCDDGWLHK-UHFFFAOYSA-N
-A773B616E8828987_CB2EE9190714D145_6029_UN,FC1(CCN(CC1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,GDTHUFUVCZTACQ-UHFFFAOYSA-N
-A8440D30A7DCEC67_5B1471D45E883DF1_6039_UN,O(C1CCCCCCCCCCC1)CC3=CC=C([S](C2=CC=C(C)C=C2)(=O)=O)C=C3,NKUNPIDRCWIQGJ-UHFFFAOYSA-N
-A94BADC8CC5915BA_37DC3EA434942D9D_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)F)(=O)=O,XBMGJUSOQZENAA-UHFFFAOYSA-N
-A98D12C2FB0B32F9_AC86B6024E393BE9_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)C2=CC(=CC=C2)Cl)CCN(C3=C(C=C(N)C=N3)Br)CC4,JMNNGBJDVGXXQW-UHFFFAOYSA-N
-AA4B87ECEE472897_A0E07E7463D80ED7_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3(C[S](C)(=O)=O)CC3,ASTSVLBKHFCREM-UHFFFAOYSA-N
-ABD5C92AA5B208A1_4573114658418DC6_6029_UN,C1CC(=CCN1[S](C3=C2C=CC=N[N]2C=C3)(=O)=O)C4=NC=CS4,MNYPMCQWHHIYHS-UHFFFAOYSA-N
-ABEA3ACEDE2B475B_06C07CA82CCE448F_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)Br)(=O)=O,MQEUKWGUZJHPTR-UHFFFAOYSA-N
-ABF35971C6734052_FDEC1E6ED75807FD_6041_UN,CC2=C1C(=NC=NC1=CC=C2)N[C@H]3C[C@@H](C[S](C)(=O)=O)C3,LHLMRLJEUNJZKX-TXEJJXNPSA-N
-AC3E477D25E676FA_F4168B8DC3E253E2_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NCC3CCC(OC)CC3,OPHSZSKYTWLSBB-UHFFFAOYSA-N
-AF00CBFD53D37CDE_44A81056BDF8172E_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,HUDIEBZICBJWLC-LBPRGKRZSA-N
-AF83A387047496DF_735C4461AE323670_6038_UN,CN(C)CC1=CC=C(C=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,OVZBHXKGQYYDQG-UHFFFAOYSA-N
-AFD115399872BF21_075B42B59771769F_6041_UN,COC(=O)C1=C(C(=CC=N1)NC2=CC(=CC=C2)C3=NN=N[N]3C4CC4)C,AVRHOQDSQWKINE-UHFFFAOYSA-N
-B0CCE934B36EEB72_B3BCB90A10EEE791_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC(=CC=C3)Cl)(=O)=O,VIMRJCHAZBYCBS-UHFFFAOYSA-N
-B0CF66401469160D_068DDEA666E6A447_7019_UN,OC(CC=CC1=CC(=C(OC)C=C1)O)C2=CC=CC=C2,GWDCAUHKWTUSLI-UHFFFAOYSA-N
-B11A351EA07C83ED_2F5189C1A8654665_6029_UN,C1CN(CCN1[S](C3=C2C(=CC=C[N]2N=C3)C)(=O)=O)C4=NN=CC=N4,SHHGYJQNGOKJSQ-UHFFFAOYSA-N
-B1DC452F160F67C9_F18E11F831697E72_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,FYVBUSZQMYEKLH-IRJFHVNHSA-N
-B3065FF407267F49_91C88032ED15B892_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC(=CC=C3)I)(=O)=O,TUYSEWDGZHCIHD-UHFFFAOYSA-N
-B3AEEF30C3FA8CA9_C33050BA1348079F_6029_UN,C1CC(=CCN1[S](C3=N[N]2C(=NC=C2)C=C3)(=O)=O)C4=NC=CS4,ZGCCLOQZYXXXLX-UHFFFAOYSA-N
-B4F07DF351F5032A_779BBDFED560FC39_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=C(C)C=CC=C3)(=O)=O,MCGVZPGHZWSVPT-UHFFFAOYSA-N
-B678BD2ADCEE9AC1_E366027EBE8CD463_6038_UN,CC2=C(OC(C(OC)CC1=CC=CC=C1)=O)C(=O)OC2,JDVXBXKZOOMXIU-UHFFFAOYSA-N
-B67FBE471B8914CA_C313A7518C4B66EB_6034_UN,O=[N](=O)C1=NN=C(Br)N1CC3=CC=C(N2CCN(C)CC2)C=C3,MMRFKZBVXKKFCJ-UHFFFAOYSA-N
-B68E44901A8724CE_5AB48E4938790A3D_6029_UN,OC1(CCN(CC1)[S](C2=C(CC)C=C(C=C2)F)(=O)=O)C3=CC=CC=C3,IDNSBHKMBLFCPI-UHFFFAOYSA-N
-B745A023BFA5300B_76CE71CFC2864ADB_6038_UN,O(C1=CC=[N](C=C1)=O)C(C3(C2=NN=C(C)[N]2CC3)C)=O,XEYSKSGBAMGMQC-UHFFFAOYSA-N
-B904B62F92414DBF_2D09FB5ED4CA880F_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(OC)C=CC=C2)=O,IHWBWGLWQVMCOI-UHFFFAOYSA-N
-B96A4990186B4536_311695B5845C8846_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,PPUFZPTWXYRGFV-UHFFFAOYSA-N
-B98E9D329EF22DF1_1073D7EE5381C700_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC3C2=CC=CC(=C2OCC3)C,PMMIQNQPNPANQG-UHFFFAOYSA-N
-BA48688B3759ED97_A83741738B1CD961_7022_DP,OC1=CC=C(C=C1)OC4=CC2=C(C(C(=C(C)O2)C3=CC=CC=C3)=O)C=C4,YNCIFOOPSMORDH-UHFFFAOYSA-N
-BB0442BA1BCFA86A_0E4C3E141F94E41F_6038_UN,CC1=[N](C=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)=O,LBCULBRSMAJNOW-UHFFFAOYSA-N
-BB1F20A8D335344A_E74536CA98212A42_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2CCOC3=C2C=CC=C3,BVCHBSXBTIXNHH-UHFFFAOYSA-N
-BB3D2DDBACBF1AFC_221EDC2121D1B3D4_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC4C3=C(C(=C(C)C=C3)C)OC4,WNMRIKZTPFQJHE-UHFFFAOYSA-N
-BB938EF4B6844EE2_8729B5B232F0603E_7005_UN,CC1=CC=C2C(=C1C)[NH]C(=N2)C3=CC=CC(=C3)C4([S](C)(=O)=O)CC4,MMCZVPGMQZPCIP-UHFFFAOYSA-N
-BC73657822BF3838_CD9E5FE16BAE6DC0_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)[NH]N=C2)(=O)=O)C3=CN=CC=C3,WSUXFTOAGISIMD-UHFFFAOYSA-N
-BDAD00EBEB87A04E_9157B7CE7473193D_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C,ZGXHAIUOUAVIRH-LBPRGKRZSA-N
-BDC61CC9FCAE080E_2ED49072E81BD949_6029_UN,C1CN(CCN1[S](C2=NC=C(CO)[NH]2)(=O)=O)C3=NN=C(O3)C4=CC=CC=C4,HYHWVQDAWYJGNT-UHFFFAOYSA-N
-BE27C4EF78C1BF51_104EEF6DBE5CA836_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)CN3CCN(C)CC3,WPPZHTLLFPZCIL-UHFFFAOYSA-N
-BE6945369E487701_335D289AC4658B2B_6029_UN,C1CN(CCN1[S](C2=C[N](N=C2C(C)C)C)(=O)=O)C3=NN=CC=C3,VHMVUQYQHIVFPL-UHFFFAOYSA-N
-BEFA2DB63251098B_946D21C1C8373D4B_6038_UN,CC3=CCC(NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)CC3,QJWWAYVLMWRABJ-UHFFFAOYSA-N
-BEFFBA8F7FB40247_7E5C5772A7B7CBD9_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC=CC(=C3)N4N=C(C)CC4=O,IHLXUYYMMMFFOZ-UHFFFAOYSA-N
-C134CD8C94762C0D_4D61F1FD4AD2237A_6038_UN,O(C1CC=CC1)C(C2=CC(=C(C=C2)[N]3C=NN=N3)C)=O,BADNEXBEMNQFIW-UHFFFAOYSA-N
-C15A94256B42E356_7E4DBA4890AB18D6_6003_DP,COC1=CC(=CC=C1)C3(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CCNCC3,MYRDMAXSEGOENZ-UHFFFAOYSA-N
-C4103F2895C2839A_156CFFD0177AABD6_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4CN([S](C)(=O)=O)CC4,XIABPZMAYMCKJV-UHFFFAOYSA-N
-C45FA689042F92CC_070A285AA2F59F15_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2(CCC2)C3=N[NH]C(=N3)C4=CC=CS4,DXQHBBPGFBPDLV-UHFFFAOYSA-N
-C60AFE25560FAF0E_597FE14EDE43FEC3_6041_UN,C[N]1C=C(C(=N1)C[S](=O)(=O)F)NCC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,VGXYELAORBVXPB-UHFFFAOYSA-N
-C68B244C4E1A39AE_9A6F5A9EB09ED5B3_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)F)(=O)=O,WRKOGBXQNNDTSW-UHFFFAOYSA-N
-C6AA6530E2419774_6C921A73F2604EF9_6038_DP,OC(=O)CSC(C1=N[N](C)C(=C1)C2=CC3=C(C=C2)OCO3)=O,XIVUJFGNWFNGIZ-UHFFFAOYSA-N
-C6C640E09BB59B48_FCCF0CC73882B94C_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,TZIGKUUBACVCPQ-UHFFFAOYSA-N
-C7EE84E5A963917A_B1DF111132F2889A_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NC3CCC(C[S](C)(=O)=O)CC3,AXJYIGUMUQPJAS-UHFFFAOYSA-N
-C982C9C8C1356DEC_D78D19442AF0EB2E_6041_UN,C1(=CC=C(C=C1)[N]2C=NN=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,GZQNAPOBOSFPOB-AULLONERSA-N
-C982C9C8C1356DEC_E67A21D93E73FB24_6041_UN,C1(=CC=C(C=C1)[N]2C=NN=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,GZQNAPOBOSFPOB-AULLONERSA-N
-CBCAE0C8C4065DE6_092628F732CA77BA_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,YJMSALHTRSEKFF-QGZVFWFLSA-N
-CC5A535087FFA308_CE11C4786A365AD8_6029_DP,O=C(C1CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,PALLMOUVKVIDQX-UHFFFAOYSA-N
-CCD501BCAF247E4C_B670746FDEF1E034_6029_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,GNOAKZZXUXDURU-UHFFFAOYSA-N
-CEF1A934D098DDCB_6AF40A3AF6139514_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC3=C(C=C2)OCCC3,SNMYFXACRBHYHI-UHFFFAOYSA-N
-CF616632A1A2C4BD_AB90E86B7D932E3E_6029_UN,C1CC(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=CSC=N3,CWFQRJFBPNEYOB-UHFFFAOYSA-N
-CF616632A1A2C4BD_D86FF3F5578D022B_6028_UN,C1CC(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=CSC=N3,CWFQRJFBPNEYOB-UHFFFAOYSA-N
-CF93C0B1C248F384_855DEE9780DBB8AF_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCCC)CC3)=O,XQQLRDZAEGVSQB-UHFFFAOYSA-N
-CFD1C586C81EFF45_7099D07501F07028_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3CC([S](C)(=O)=O)CC3,HCLCBAJHBHSBLV-UHFFFAOYSA-N
-D08D7014E834FBE5_F466767246B228E0_6029_UN,C1CN(CCN1[S](C3=C2C=CC=C[N]2N=C3C)(=O)=O)C4=NN=CC=N4,YYQCOYJWRYQUTM-UHFFFAOYSA-N
-D36C2E1E0A5FC2A7_9FF2C11EE995A7B7_6035_UN,O(C1CCCC(F)(F)C1)C2=C(C[S](C)(=O)=O)C=CC=C2,JWNCXYVWNKWMBR-UHFFFAOYSA-N
-D5874351B8AD1C7C_68DADB9ECB0240D5_6035_UN,CC3=C(OC2=CC1=C(C(CC(C)(C)O1)=O)C=C2)COC3=O,PHPJYFAMKTXLAI-UHFFFAOYSA-N
-D7E24F289FEBA788_12CD7F3CB9B0E982_6039_UN,CC2=C(OCC(NC1=C(C(O)=O)C=CC=C1)=O)COC2=O,FLRSHXWQWPYMRW-UHFFFAOYSA-N
-D83EC0CC6FEFB84F_86D8FD6BC0B1DC68_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N(C3=CC=C(F)C=C3)C4CCC4,DVIABPWRICVDFS-UHFFFAOYSA-N
-D869E5B8DA31870B_E9BF410B2813F8D6_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC=C(OC)C=C2)C)=O,FSEGBHJTINHJCM-ACGXKRRESA-N
-D9A3AE830C1D54CB_CBAE949273A687C2_6029_UN,C1CC(=CCN1[S](C3=C2C=CC=N[N]2N=C3)(=O)=O)C4=NC=CS4,ULJUGPBDNZYGME-UHFFFAOYSA-N
-DA30065A564F27FB_B7C2B62742081293_6041_UN,C[N]1N=NC2=C1C=CC(=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,CVDWXCBRFUXMLY-UHFFFAOYSA-N
-DA892C90CC7EA288_208481025018DB58_7019_UN,O[C@@H](CC=CC1=C(OC)C=C(C=C1)O)C2=CC=CC=C2,UFUHELGSKSLOKN-INIZCTEOSA-N
-DBD7C568CFF8B174_49F76C60E08AE19F_6041_UN,CC1=C[N](=CC(=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)=O,GIUIZZQOROMSLG-INIZCTEOSA-N
-DC9DF8A4772F3C15_2CDF05AE0C9FE0C8_6041_UN,C1(=NN=N[N]1C2=CC=CC=C2)NC3CN(C)C4(C3)CCC4,HMRQQKQPYXEABE-UHFFFAOYSA-N
-DEB5D5EAEBAA250C_6558B3F1B0ED138D_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC3=CC=NC(=N3)N4CCN(C)CC4,CNWKUTVXZDWEJB-UHFFFAOYSA-N
-E256471DBDD7EB44_181D83711CC8D4EB_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,VRGZWUZPWIYWPI-HNNXBMFYSA-N
-E490461341B6BDED_E21E6B59039F95CA_6029_UN,C1CN(CCN1[S](C2=CSN=C2)(=O)=O)C4=C3C=CSC3=NC=N4,JEBUEWPDVZQYQZ-UHFFFAOYSA-N
-E58885311592444F_6A6EB86CF188B191_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC3=C(C=C2)OCC3,MTOPDCKBKADWFU-UHFFFAOYSA-N
-E6FEC84B0535EF12_767D4A437B1B2511_6039_UN,CC2=C(OCC(NC1=C(C(C)=O)C=CC=C1)=O)C(=O)OC2,DCEVYRVUFMJOOD-UHFFFAOYSA-N
-E7C86060F47B2FC4_9604BF84A01E4BBB_6034_UN,CC1=NN=C(N1CC2OCCN(C)C2)C3=C(C=CC=C3)Br,AOEREBVNJIAKBU-UHFFFAOYSA-N
-E8A9F6E81845C130_F5742C72C18DF089_6029_UN,C1CC(=CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=NC=CS3,LFKFXDNMDAWWIW-UHFFFAOYSA-N
-EB351F397944FA05_FA9C7FBDD449970E_6029_UN,FC1(CCN(CC1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,KGVDIMNPENTQAW-SFHVURJKSA-N
-EC0BB542E404DD73_BAFAA5E852A2A0D3_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)CC2=NOC(=C2)C)C=C3,RLBWVXNXVOYTFG-UHFFFAOYSA-N
-EC9F677A216FFFB7_13FE0C8518520E3C_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NC3CC([S](C)(=O)=O)CC3,AEDXZNQKEJBLRQ-UHFFFAOYSA-N
-EDD030319A09CE0E_0BA22AB8AAF7CF5D_6041_UN,C1(=NC2=C(C=N1)C=CC=C2)NCC3(C[S](C)(=O)=O)CCC3,SUOWPCJJEHFPQT-UHFFFAOYSA-N
-EFC14E763C28C392_2F6766C80B0DA41E_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=C(C=CC=C2)C3=NN=N[N]3C4CC4)C,JGSWAEYKKGHUBL-UHFFFAOYSA-N
-F186B80D04FCBC7C_B22775A78295A7AD_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC=CC(=C3F)C)(=O)=O,QHUSLUNCHGJAOA-UHFFFAOYSA-N
-F231F4C731074E81_94B68D9A7C8E021B_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C3=C(OCCC2)C=CC(=C3)F,OUAOQGGZAHLLND-UHFFFAOYSA-N
-F28B230E4A965634_09C26CC3FA84CD91_7013_UN,C[N]1C=CC(=N1)[N]3C2=CC=CC=C2N=C3C4=CC5=C(C=C4)OC(C)C5,RGBHKAOBZBNGBE-UHFFFAOYSA-N
-F50730BD96B90905_D37E73674A3590F7_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,UYHSIOMSKHAEEV-AWEZNQCLSA-N
-F574F4CBB8F63257_0B77F51AABE7802C_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C#N)C=C3)C4CCC4,WVSMDHCHRHKNDJ-UHFFFAOYSA-N
-F5F83008A25F635C_467466F962FFA360_6038_UN,COC[C@@H]1C[C@@H](C1)NC(C=CC2=C(OC)C=CC=C2)=O,GLMGQBFBFAUFCH-XBXGTLAGSA-N
-F63343170509FB45_8AEA4B6624CCAB67_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC3C2=CC=CC(=C2OCC3)C,ZGXHAIUOUAVIRH-UHFFFAOYSA-N
-F65B7F2FDD5CA1D2_7A4BC3D9E7DE10D3_7019_UN,OC(CC=CC1=C(OC)C=CC=C1O)C2=CC=CC=C2,XNUUVZOEWGFVGO-UHFFFAOYSA-N
-F6D7AF657F890A13_E9790ED0C3CF17F0_6041_UN,CSC1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,IPQFPPOYPLPWNH-NSHDSACASA-N
-F76D255DA8C56177_675A8A40E3CE8B2C_6039_UN,CC2=C(OCC(NC1=C([S](C(F)F)(=O)=O)C=CC=C1)=O)C(=O)CO2,HJJRVEOMTNFCAU-UHFFFAOYSA-N
-F7D476B321645E98_260F415F5A1C2F30_6038_UN,CN(C)CC1=C(C=CC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VZFMRSOXXOOYJG-UHFFFAOYSA-N
-F7E0B6E53AF91094_BD1206D62377A056_6038_UN,CC1=C(C(=CC=N1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,AIAUEXFBCREUNQ-UHFFFAOYSA-N
-F7E82D1D9884AFA6_34D3DD1A542BFB57_6029_UN,C1C2(C1)OC4=C(N(C2)[S](C3=C(C=C(CC(C)O)C=C3)F)(=O)=O)C=CC=C4,GWAGUKIEDUITDA-UHFFFAOYSA-N
-F8BE026D6B613AF2_7D3039765AAD4321_6041_UN,C[N]1C=C(C(=N1)C[S](=O)(=O)F)NCCC3=CC=C(N2CCN(C)CC2)C=C3,DJQAXEXMHOEVGU-UHFFFAOYSA-N
-F96FE893CEF2E6E2_18DB21F4EAC2CC2C_6029_UN,FC1(CCN(CC1)[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=CC=CC=C4,ULZOERBQMDTQNJ-UHFFFAOYSA-N
-F9D3FF6A10C66702_93DCCEE04AE5CE28_6038_UN,CC(OC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=NN=N[NH]3,MVICPMCQISUCRE-UHFFFAOYSA-N
-FCAB6E7EE42C0742_0BA597C1A7465BF3_6004_UN,C[N]1C(=NC2=C1C=CN=C2)C3=CC4=C(C=C3)OC(C)C4,ZSSAOBHOBMVJAZ-UHFFFAOYSA-N
-FCE2C44AEE5193FD_E5BC0E42A668E7B3_6029_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=CN=CC=C4,YTGQOTNUCVKXLG-UHFFFAOYSA-N
-rxn:2:92547:78569,CC1(N2CCC(Nc3ccc(OS(=O)(=O)F)cc3)CC2)CCN(Cc2ccccc2)CC1,WGMOFZGIPKFXPQ-UHFFFAOYSA-N
-00268109FA8A8A04_6CC4448D2EA638F0_6041_UN,CC(C)C1=NC=C([N]1C)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,DDSQTFVZWRQEGY-UHFFFAOYSA-N
-00384AD9E4889D35_C3612CCB46A42578_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,MKTPIAMFVVRRAC-GJZGRUSLSA-N
-015C334C7FA9B954_839AE287BC0A305C_6028_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,XWGHLZKJXHGMAJ-UHFFFAOYSA-N
-01BCD6D5127B9581_D855A6F4101A7246_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C,LMUZIHAWRHEZHM-UHFFFAOYSA-N
-01BCD6D5127B9581_FF8B84149423E02B_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C,LMUZIHAWRHEZHM-UHFFFAOYSA-N
-028716B60EE7DA84_A46523C0DF285A79_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=C(N(C(C)C)C)C=CC=C3,AIGQDAQWGQBDBO-UHFFFAOYSA-N
-03327F66ADA6FDC5_58E1274FDDEFEDB2_6029_UN,CC(N[S](C2=CC=C(C1(O)CC1)C=C2)(=O)=O)(CC3=CC=CC=C3)C4CC4,HXXGIAKEUALVGZ-UHFFFAOYSA-N
-061780E52A6CCADC_2EC699FCC67921A6_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(N=C3)C4CCC4)(=O)=O,SPINWNRKNAIRQP-UHFFFAOYSA-N
-07A684768AD13F06_32276E55FD5E1146_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(COC2=CC=CC(=C2)C(C)=O)=O,KQWAVHYRFGTMSB-LBPRGKRZSA-N
-0AD998823D098BC5_181D6829001A8218_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=CC(=CC=C2)Cl)(=O)=O,MVDBUXNJTYAGDJ-UHFFFAOYSA-N
-0B49AFA32BC33069_985AD92BF55D0C35_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=CC(=CC=C2)Cl)(=O)=O,RRZBTAQKHVTQCT-UHFFFAOYSA-N
-0C1117A5F2282DB9_CF30B30CD0DC4EFC_6029_UN,N(CC1CC=CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,LMLQEAOIOMJDTG-UHFFFAOYSA-N
-161C782BB650CEAC_31DD72607A6531F8_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,YYIHEXXQFVVIOC-NHCUHLMSSA-N
-166F72297BAED3EB_FFBCC2F6460A6909_6028_UN,C1CN(C(CC1)C2=CC=CS2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,BZHZPEUJQSIHDI-UHFFFAOYSA-N
-16CB3FB23B04DDFB_36408F25B9579E9D_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NC(CCC)C(=O)N(C)C,GCFDEUIVONDFFM-UHFFFAOYSA-N
-16FDC07B50C448B0_AC4A044D7860730E_6029_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,OBYLETPQWGOFFG-UHFFFAOYSA-N
-16FDC07B50C448B0_D347EA1BB0E0FB97_6028_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,OBYLETPQWGOFFG-UHFFFAOYSA-N
-18ED1DCF0C3632FF_493E5DF8AF700647_6031_UN,CC2=NN=C(CC(N)C(=O)OCC1=C(N(C)C)N=CC(=C1)Br)S2,XKUVQYWSLDFGDX-UHFFFAOYSA-N
-19AF7CC55B79E156_970CEB219B024069_6029_UN,N(CC1=C(C=CC=C1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,NGFOUDNZCNRJEG-UHFFFAOYSA-N
-19F2B47093AA720B_9AC05758D7F3A889_6031_UN,CC(C)C1=NN=N[N]1CC(=O)OCC2=C(N(C)C)N=CC(=C2)Br,ZWKJWNJAXJWLAS-UHFFFAOYSA-N
-1AC41BBDCE1F800A_FB2D173E4C90161B_6041_UN,CC(C)(C)C1=NC=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,DBNVZZZKOJBSJD-ZDUSSCGKSA-N
-1CC21F3D0A7735C6_2A5D407D77D6F980_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=CC(=CC=C2)Cl)(=O)=O,LSFNGJCGMAIXML-UHFFFAOYSA-N
-1ED72FD2DA4914B1_77F10A6D02590BB1_7019_UN,OCC(O)C=CC2=CC=C(OC1=CC=C(OC)C=C1)C=C2,FLONYEKISZHUPM-UHFFFAOYSA-N
-1F4FEC4FE3F567A5_D547D012F14D5611_6041_UN,CC(C)(C)C1=NC(=CC=N1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,UHFRUCUMCCEINB-ZDUSSCGKSA-N
-1FE91AEFA50130D1_C0BBB20C82FD3FBB_6028_DP,OC1CN(C1)[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O,GRHVULGBPWFVTC-UHFFFAOYSA-N
-20C2879BF5772262_9CD46B6342A18AD2_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,PVVOBTASBMDFGA-GJZGRUSLSA-N
-2662502E592D4D1B_A4F564C7771CFE78_6039_UN,O(CCOC2=C1C=CC=CC1=NC=C2)CC3=CC=C([S](Cl)(=O)=O)C=C3,TXXWXQFEYYKOJS-UHFFFAOYSA-N
-26961CC91DFAE7DE_797F75E07026CFC6_6029_UN,CC1(CCN(CC1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,SRWRMHWYHYDYJM-UHFFFAOYSA-N
-26A8E338EEF56F1F_BE1229C7471AB2B8_6029_UN,C[C@@]1([C@@H](C1)C2=CC=CC=C2)N[S](C3=CC=C(OC(F)F)C=C3)(=O)=O,SECTUZFDISRDDS-DOTOQJQBSA-N
-283B943CE7E40139_B2F4519E5AFFA8A8_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C=C(C(=C3)N4CCOCC4)F)[N](=O)=O,FZXGYBGQRLNQFH-UHFFFAOYSA-N
-29137734B329C592_BE94D1E6C36908BB_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C([S](C)(=O)=O)C=CN=C4,KOLDWKDXLLYWIH-UHFFFAOYSA-N
-2B47C4C6A1E3CB3B_BF0CB43AFA29F4F0_6041_UN,FC2=C1N=CN=C(C1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,QHGDQEGSZJLUFM-PHIMTYICSA-N
-2BAEFCB466DCC4B4_FD1580C682377945_6029_UN,CC2=C1CN(CCC1=CC=C2Cl)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,KEVFTGFJFLWEFO-UHFFFAOYSA-N
-2BEF1D3C57AD1FF5_D0C0C146B24D358E_6038_DP,CC1=CC(=CC(=C1)OC(C2=CC(=C(C(O)=O)C=C2)F)=O)N3CCCC3=O,YEVLIMRITUKFLI-UHFFFAOYSA-N
-2C46B95F77BB1ABB_B88C2A0F12CB0B98_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)C[S](=O)(=O)C4CCCCC4,JELCNHCFWWTLIU-UHFFFAOYSA-N
-2D824FD37245D37F_61C092D227F74835_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(CO)C=C3)(=O)=O,NJRAIWWBUGSZIH-UHFFFAOYSA-N
-33E534A92B4D86B4_9C488BDF2FE813B9_7019_UN,COC1=NC=C(C(=C1)OC)C=CC2=C(O)C=C(C=C2)C3=CC=CC=C3,UUACLSINKZPBKS-UHFFFAOYSA-N
-3543679C0E8BBBD5_EDEDD05D61E653DD_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,HDIIDNMFEKTHHV-UHFFFAOYSA-N
-3B14F57629820E22_1F0419546C2CE2DE_6004_UN,C2(=C1CCCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)(C)C)O,NWRUEDPJTJNWDP-UHFFFAOYSA-N
-3C30A0F2D7973F9F_EE44EA85514861DD_6041_DP,COC2=C1C(=NC=NC1=CC=C2)N[C@@H]([C@@H](C)O)C(=O)O,COEKSACOUYYJPW-HQJQHLMTSA-N
-3C85C496403BBC8D_B399C0BBFF2F50E6_6031_UN,CC1=NC(=NO1)C[N]2N=NC(=C2C)C(=O)OCC3=C(N(C)C)C=CC=C3Cl,DGLODHOKBQEOCX-UHFFFAOYSA-N
-3CBF60B14A2488DC_841C93A03EAECA90_6041_UN,CC2=C1C=CC=NC1=C(C=C2)NCC3CCC([S](C)(=O)=O)CC3,HNGCKGFIPKGPEQ-UHFFFAOYSA-N
-430303341AD71455_3A695111FDE1DD1B_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=CC(=CC=C2)I)(=O)=O,AKRUAIANQKDSQZ-UHFFFAOYSA-N
-43168E9A5B793EA5_6BAC0A31DB62307B_6041_UN,C1(=CC2=C(C=C1)C=CC=N2)NCC3CCC([S](C)(=O)=O)CC3,IJJXJFCMXIWVAK-UHFFFAOYSA-N
-44166797581164D1_68B1B23A41CB97F0_7019_UN,CC(C=CC1=CC(=C(OC)C=C1O)C)C2=CC=CC=C2,ZSPCSSIMIGUSHC-UHFFFAOYSA-N
-44CB009FE4F0D623_A015AF894C75C24C_6009_UN,C1(=CC(=O)N(C1=O)C2=CC=CC=C2)C(CC3=CC=C(CO)C=C3)C,BGZKAUKVCHQNQH-UHFFFAOYSA-N
-450676C0238D7D0F_918802C857C3C311_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3C[C@@H](OC)[C@@H](C3)OC,IOOGVZDBIFHXPT-JVIGXAJISA-N
-452D55404F0D6C60_45063E04FAE0C345_6038_UN,COC(=O)C(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=CC=N[N]2C,FCRGXIBRVBXUMQ-UHFFFAOYSA-N
-4591F3A1307236D6_FB309D97809C9AC4_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,LVRJCKFHJQSKMS-DOTOQJQBSA-N
-462F55965125201D_5B1EF974A743FFA4_6031_UN,CC(C)[N]1N=NC(=C1C)C(=O)OCC2=C(N(C)C)N=CC(=C2)Br,UHVUTRHBWMQEGV-UHFFFAOYSA-N
-472D39464C5E64C9_916C4F87AE636A86_6035_UN,CCC(OC1=C(COC)C=CC=C1)CC2=CC=CC=C2,YMAXOEHYHAARQA-UHFFFAOYSA-N
-48234368F32B3223_23482ADDE10D85A3_6029_UN,CC2=C1CCN(CC1=C(C=C2)F)[S](C3=C(C=CC(=C3)C)C)(=O)=O,VETJMQVXPORCFU-UHFFFAOYSA-N
-48234368F32B3223_90C05A41835FCF45_6028_UN,CC2=C1CCN(CC1=C(C=C2)F)[S](C3=C(C=CC(=C3)C)C)(=O)=O,VETJMQVXPORCFU-UHFFFAOYSA-N
-491ABDD03C18B423_7D95F1BD56A1743B_6029_UN,CC1(CCC(CC1)N[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=CC=CC=C3,MCVMUYXBSMRYOJ-UHFFFAOYSA-N
-4927F48578BF7415_7BAE67B05335EF58_6005_UN,OC1=C(C=C(C=C1)C2=CC=C(OC)C=C2)C3=CC=CC=C3,ZSLXAUKVVBTFOY-UHFFFAOYSA-N
-4A9FF8FE6AEB8639_C7696D012901DEFD_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3CCC([S](C)(=O)=O)CC3,IRJQCSNTWZZPDJ-UHFFFAOYSA-N
-4C2034638419F5F8_20AF8153DB58B2BB_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(C(OC)(C)C)C=C2)(=O)=O,YOIQRJHCSVCLTR-UHFFFAOYSA-N
-4C42D9B524C91F52_5B1341A441764B10_6038_UN,CCOC(=O)C(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)C(=O)C,QOUGVOXLQWEKIM-UHFFFAOYSA-N
-4C64F31F52DFA4A1_FACEEE17919A2957_6029_UN,CC1CN(CC1O)[S](C2=CC(=C(N=C2)[N]3N=CC=C3)C)(=O)=O,ALZYWWKECOAXEO-UHFFFAOYSA-N
-4D5C49EFA876AB72_A986767184B12863_6038_UN,N(CC1=C[N](N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC(=O)N4O,IANUXCZZSVFFRU-UHFFFAOYSA-N
-4EB0A4446DBDEF6C_3AE36EA46B12B567_6029_UN,C[C@H]1[C@@H](C1)CN[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,HDLLDHLFLZDNMW-PWSUYJOCSA-N
-509AC713B3E99232_36E836CEA2276BBB_6028_UN,C1C2(C1)C4=C(CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C=CC=C4,QWEQEQVKYDANQH-UHFFFAOYSA-N
-51125C60635D51E2_746195D04CEF0903_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC=C(C=CCBr)C=C2)(=O)=O,LOKWQSBUAFPZCI-UHFFFAOYSA-N
-537611C01BF0D51F_BE1A562937609C37_6034_UN,COC1=C(C=CC=C1)C2=CSC(=O)N2C3=CC=CC=CC3=O,ZAHJTVMOQHWTFC-UHFFFAOYSA-N
-54615B6AA1209AD0_DFECAB8765C889FD_6038_UN,O(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)C(=O)C2=NNC(=O)CC2,GGFDZMDTQKTZFP-UHFFFAOYSA-N
-54804CCA1E115111_1DBCED970094986A_6043_UN,C1(=CC(=CC=C1)C2CC2)N[S](C3=CC(=C(OC)C=C3)C)(=O)=O,BXTFTSKFQQASCP-UHFFFAOYSA-N
-5769715A26995C02_FDB9BC2BED0B6922_6029_UN,CC=CCCN[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O,WASLXVHPAKFLCB-UHFFFAOYSA-N
-577E06103AA38369_4F85FCE0E5F9CB63_6029_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=C(C=CC(=C3)C)C)(=O)=O,VAUDKMTXAAJYJB-UHFFFAOYSA-N
-577E06103AA38369_FC0D8C7C87AB8185_6028_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=C(C=CC(=C3)C)C)(=O)=O,VAUDKMTXAAJYJB-UHFFFAOYSA-N
-5BD3BC2309173FD2_358BF811F856E07C_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(CO)C=CC=C3,CFEGKDLANJMOIR-UHFFFAOYSA-N
-5CE14205EA4735CA_8A1C1209EF3A8F57_6034_UN,CC2=NC1=C(C=CC=C1C#N)N2C[C@@H]3CC(C)(CN3)C,DARKMPLXBNVPGI-ZDUSSCGKSA-N
-5D08F1FFD65E1655_5FAC560B549C8A29_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=CC=CC(=C3C)N4CCCCC4,CNCBREKZZZPVEO-UHFFFAOYSA-N
-5E13E750901439F3_372F4436E51F4A61_6029_UN,N([C@@H]1CC[C@H](CC1)CF)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,NIDZWKWEGCLJQM-ITGFMWSFSA-N
-5FAEB0465DB248A1_D6951A9C870DEFA1_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(C(O)CC2)C=C3)(=O)=O)C4=CC=CC=C4,RIOUDMNXQPNIQX-UHFFFAOYSA-N
-61E7EAE41BD64D63_8E3A3C4991953355_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2C3=C(OCC2OC)C=CC=C3,GUVNUKDIXAECOR-ZLPCBKJTSA-N
-626548384CBD5E6F_8977D1BD14FF5798_6026_UN,CC1=C(C=CC(=N1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,IZTZGLFLOKEKJL-UHFFFAOYSA-N
-62EE7A2CBEC33AF5_203ADE80A718E575_6029_UN,C1C(CN1[S](C2=C(C)C=CS2)(=O)=O)OC3=NC=CC=N3,KCMMZYFDVLCQDN-UHFFFAOYSA-N
-63D26D37DC9B1BD1_BAD1D1D2F85555CA_7019_UN,COC1=C(C=C(C=C1)C)C=CC2=C(N=N[N]2C)C3=CC=CC=C3,LIDOVEYEMBIRJS-UHFFFAOYSA-N
-64366B27E372303C_09768A79A965498C_6028_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=C(C=CC(=C3)C)C)(=O)=O,NXOMSEMKNSKUER-UHFFFAOYSA-N
-64D1739383030715_96EB613FBFDD08D8_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=NC5=C(C=N4)C=CC=N5)(=O)=O,UXRYZGVCWAXLBQ-UHFFFAOYSA-N
-67AFAFFC6F9E313E_FB9637075B3A1D4D_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=C(C)C=CC(=C2)N3CCCC3)F,FKVCGPYJPMWMNO-UHFFFAOYSA-N
-67E88F904C881C98_9A9FBEED80282332_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,KECPOLHIUFZAOD-UHFFFAOYSA-N
-6886C1F24BEB1F5B_75E44BA2AC67CF12_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=CC(=CC=C2)I)(=O)=O,ATQGYMFLLPJIDG-UHFFFAOYSA-N
-68C1CD34A70813BE_27BF9C6F20FA5FF9_7019_UN,COC1=NC=C(C(=C1)OC)C=CC2=C(O)C=CC(=C2)C3=CC=CC=C3,XZTHKBZOJZNEFI-UHFFFAOYSA-N
-69186302661480C1_41BFEF279AE4AAAE_6029_UN,N(C1(CC1)CC2=CC=C(C=C2)F)[S](C3=C(CSC)C=CC=C3)(=O)=O,MHCIGHWTYUXBLR-UHFFFAOYSA-N
-69B5C9E8990E5639_D5772A141965E01C_6041_DP,COC(=O)C1=CC(=C(C=C1)NC2=C(CO)C=CC=C2)C3=CC=CC=C3,YRWJTPANTQXPQU-UHFFFAOYSA-N
-6A8C9AD0BA665630_F76D4AB1669466D2_6029_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C3=CC(=CC(=C3)[C@@H](C)O)F)(=O)=O,GXBKFXYAUXKMOG-MJJDPTRDSA-N
-6C87B9237B715E26_082979458A2DA683_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=CC(=CC=C2)I)(=O)=O,WXNWSFSZKAGNJG-UHFFFAOYSA-N
-6CFC298999C872C6_22F21B359BFDF3EA_6029_UN,CC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,WIOGNMUFWLOZLO-UHFFFAOYSA-N
-6D0AC9E97AC102EE_7BD60A8673118927_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,ACBWISDNXPOMFK-UHFFFAOYSA-N
-6E577DE112CB9650_44CC612737E857A2_6028_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,KIZGFKPVTQXZGV-UHFFFAOYSA-N
-6F8EECFBB77CCBD4_52D3B7943B6CEFD9_6029_UN,C[C@H]1C([C@@H]1C)N[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,SLTQWFQLCBWLLJ-NXEZZACHSA-N
-6FF7B42CC5C5DA38_F80F03F2592782B5_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O,NVMBBDHRKFSOLU-UHFFFAOYSA-N
-701F13D22DD8867F_E21761CDF9DD4FFC_6041_DP,CC1(CCC(=O)C=C1)C2=CC(=CC=C2)NC3=C(CO)C=CC=C3,ZEENAUXCJYOXTH-UHFFFAOYSA-N
-71730044AF859F50_08143B0FD6BC7C93_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C=C2C(OC)=O)[N](=O)=O,UTMUSBNHXXQENI-UHFFFAOYSA-N
-7214728BDA853ED4_595C0AFF66C2B2FA_6029_UN,CC1(C)CN(CCC2=C1C=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,SLYFOESEFPEKNT-UHFFFAOYSA-N
-728D8C86014BC6D8_9997A367C49F041B_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NCC4=C(CC)C=CC=C4CC,HQLLSDWAHFSTRC-UHFFFAOYSA-N
-738A9909917AD90B_C267E91F86148189_6029_UN,CC1=C(C=CC=C1)C(O)CN[S](C2=CC=C(C=CCBr)C=C2)(=O)=O,RKMRYLJUTOCEOG-UHFFFAOYSA-N
-73CDBCE322995587_FA15FCB6096ED381_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(N3CCN(C(OCC(C)C)=O)CC3)C=CC=C4,SFNREAQKUGWFCP-UHFFFAOYSA-N
-7468D60AE4868B40_F25BC9A18E9CA4C4_6029_UN,N(C1(CC1)C2=CC=C(C=C2)Cl)[S](C3=C(CSC)C=CC=C3)(=O)=O,XBZOPAYKOYPPFI-UHFFFAOYSA-N
-74B7E688BD600673_40C9E43C649F5107_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CC(C)NCC4,NRHKYOOYKWBWDO-UHFFFAOYSA-N
-763BD0465DB70B16_AB91EE71366D9241_6028_UN,C1C=CCN1[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O,LHCIOMWUTBCTSP-UHFFFAOYSA-N
-76931A33BCA09416_35D3C0AEA75704CE_6038_DP,CC(C)(C)C1=C(C=CC=C1)NC([C@H]2[C@@H](C)NCCC2)=O,HLMYOQLWXPQJHR-CHWSQXEVSA-N
-76EBAD5E15D807D8_4C51E5DACB196741_6039_UN,O(CCOC2=C1C=CC=CC1=NC=C2)CC3=CC=C([S](F)(=O)=O)C=C3,CBFGHGWAHLQTCW-UHFFFAOYSA-N
-77235A6B30FB5BD0_EC644D489AC101E7_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC=C(CC)C=C3)(=O)=O,PJUPOEHPVMKKRM-UHFFFAOYSA-N
-77A2230FA8BC9EB4_9669AAA4A9DFE37D_6026_UN,CC1=C(C=CC(=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,UIUCOZFNBUDYMT-UHFFFAOYSA-N
-787865474351B865_52AF1AB8CDB2AF57_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NC3=C(OC)C=C(C=C3)C=CC(=O)O,CRXZPAROWTXLFP-UHFFFAOYSA-N
-78F0ABC2E848A128_73F5C35545BD1B8E_6029_UN,CC1C(C1N[S](C2=C(OC)C=CC=C2)(=O)=O)C3=CC=CC=C3,AQWKZHLUFYVZKA-UHFFFAOYSA-N
-7A29182023358377_5B7EBDE850E6D23C_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(OC(F)F)C=CC(=C3)F)(=O)=O,ZQIBRCZFTCLULN-UHFFFAOYSA-N
-7AB9AA76CFC4056E_432575C2A9BB20C3_6038_UN,CC1=NC2=C(C(=C1)C)C=CC(=C2)OC([C@@H]3C[C@H]3C4=N[N](C)C=C4)=O,SWAWWDMWYFOYMS-HZPDHXFCSA-N
-7C0927DFE6D10356_33BE2848A52ED5C1_6028_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,RGCRWTGHWIMREX-UHFFFAOYSA-N
-7C0927DFE6D10356_8A60FA81B67495DA_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,RGCRWTGHWIMREX-UHFFFAOYSA-N
-7E2BD5D069398532_7C27BCADF43360BD_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC=C(C=C3)F)=O,CSJJBKPHLWJNPG-UHFFFAOYSA-N
-8034F7254D245945_E008CA47112D218D_6029_DP,O[C@H]3C[C@@H](N[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O)C3,NTXVLCZCLLBJEG-TXEJJXNPSA-N
-80F0C8004C2A9437_66ACFE8D941B56B8_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3,RYGRQFRINZRKCX-UHFFFAOYSA-N
-81CE6B0288742A14_F81D1465795BD5EE_6041_UN,CC2=C1CCCC1=CC(=C2)NC4=CC3=C(C(C)(C)OC3=O)C=C4,BODQDZFIRODMDK-UHFFFAOYSA-N
-8294B0496A6F7CBA_0BEB419E4D7752E3_6029_UN,CC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,TWRYOKYKGBCMPA-UHFFFAOYSA-N
-82B381E9DC3046C5_C24872BF0D0167D4_6041_DP,C1(=NC(=NC=N1)C2=CC=CC=C2)NC(C(O)=O)(C)C3=CC=CC=C3,JJJGMEUGJLHIDS-UHFFFAOYSA-N
-83B83527566CD2EC_CC7876A0BBF8D180_6041_UN,CN5CCC1=C(C(=NC=N1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C5,XWTWNTFGSXXWHB-UHFFFAOYSA-N
-84FCA96981D29719_4EFC8E2F0025397D_6041_UN,O[S](=O)C1=CC=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3,GVFFHVUCBAGNTJ-UHFFFAOYSA-N
-8543A9061BEA9141_B89EA4179C4A0FD8_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC=C(C=C3)F)=O,ZBCFTBOIRWPZQD-UHFFFAOYSA-N
-858EE8EF96E1D1C2_FF025E26B0380AF3_6028_UN,N(CCC1=CC=C(C=C1)Cl)[S](C2=CC(=CC=C2)Br)(=O)=O,LGSQKTUOHFEBAB-UHFFFAOYSA-N
-865C16032F1D08EB_DE4CFCAD9E64DBE5_6029_UN,N(C1C=CCCC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,RIOHORMKVPTUQF-UHFFFAOYSA-N
-86C217B220693B71_11B1EB5C197DDD98_6029_UN,N(C1CCC=CCC1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,BJPDZJHFSSYDRS-UHFFFAOYSA-N
-874345DEC4FB2FC4_B4C7EEC9B7B2DDFA_6041_UN,CC(C)(C)C1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,SRCWALDXDUICEC-ZDUSSCGKSA-N
-875EDE663E8EAC8C_1C8E811105D077E0_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4CNCC4,PSGHSPWNUNAAIC-UHFFFAOYSA-N
-88DDA396F99A2AA7_32CC6AFA3A9DE907_6029_UN,N(C1CCC=CCC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,SCGSIENAHQWJDU-UHFFFAOYSA-N
-898AD658367614EA_CF82F9965E1FD1C4_6029_UN,FC1(CN(C1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,YODNQGVNYDSWNJ-UHFFFAOYSA-N
-89962F2F54303513_C9FB02551E984148_6038_UN,CC1=N[N](C=C1)C2=C(C=CC=C2)NC([C@@H]3C[C@H]3C4=N[N](C)C=C4)=O,ZQSGXUABHOAQGY-ZIAGYGMSSA-N
-8D56772EACD69861_B4CBB6C95181470E_7013_DP,CCC[N]2C1=CC=CC(=C1N=C2C(CCC(C)(C)C)N)F,HIKGXYPPVZWXLB-UHFFFAOYSA-N
-8F73A7377A61732A_CEC0C169548E68B0_6028_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O)C=CC=C4,PJHJNYPXJWRZIL-UHFFFAOYSA-N
-9056C2A56C6D1899_43EB2117EC23D9CC_6038_UN,COC(=O)C(NC(C1=C(COC)C=CO1)=O)CC2=C([N](N=C2)C)C,LVCJVWCAUGEQTC-UHFFFAOYSA-N
-915B3FB613F4694B_7AFD63EADF0F3D4E_6028_UN,CC(C)(C1=CC=CC=C1)C2(CC2)N[S](C3=CC=CS3)(=O)=O,WNAOYRWFBIYZMK-UHFFFAOYSA-N
-919A537E73CEAB3D_F8B97C8E32D60D4E_7019_UN,CC(C=CC1=C(C=C(OC)C=C1C)O)C2=CC=CC=C2,GWRIVQFKMVAZBH-UHFFFAOYSA-N
-93B8D1DA37058679_1753632D69B85933_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3=NC(=CS3)C4CC4,KAHNUWUHXLESKY-UHFFFAOYSA-N
-93E1ED22C61D4BB1_651DC53FAD317E3E_6029_UN,CC2=CCC(N[S](C1=C(CCBr)C=CC=C1)(=O)=O)CC2,WEISGBGOADORFY-UHFFFAOYSA-N
-96B24874DE570CCF_787A81ED926C6CA8_6028_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=C(C=CC(=C3)C)C)(=O)=O,INDOKXKXBNZABU-UHFFFAOYSA-N
-96F3C4E61C7583A0_2BEB707B05E75393_6028_UN,C1CC(CCN1[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O)C5=CSC=N5,SUXFROSZMOSHGD-UHFFFAOYSA-N
-977B5BB88CCA2955_BA2EE01308A65336_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=CC(=CC=C2)I)(=O)=O,CBDNBMZYDIQFRJ-UHFFFAOYSA-N
-99631809CE13D857_4E6F71982CBEB05A_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3,NEZPCWJPMKPXBN-UHFFFAOYSA-N
-9A597A9015981856_39374E75E655AE1B_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)C#N,GJAHOXRBVDGMBU-LBPRGKRZSA-N
-9C236841830B3B90_19593BE345D6D2EC_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCC(CC)(C)CC3,NQSZUUWICXDQLG-UHFFFAOYSA-N
-9CD1F215A218A8F6_78DE227CF716C4A4_6029_UN,N(CC1OC(OC1)=O)[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O,UNNOSFDDBWBJOQ-UHFFFAOYSA-N
-9F3195B0ECF55FE2_225B3AA5C6452EDE_6038_UN,COC(=O)C(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C[N]2N=CC(=C2)C,QQGDYSKHVZDPMX-UHFFFAOYSA-N
-9F98CE31D28D5DA8_B1739F78651FE276_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,MBQZLRFCSYZHLR-YUZWYKEKSA-N
-A02B05CF079B02D5_A35E04B06A3D3A39_6027_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3C)C)(=O)=O,OGPDSUNPYYAKRU-UHFFFAOYSA-N
-A02B05CF079B02D5_A35E04B06A3D3A39_7015_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3C)C)(=O)=O,OGPDSUNPYYAKRU-UHFFFAOYSA-N
-A232FC288FE501C6_6BEA9D1A8D59F74B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(O)C=CC(=C3)C(F)(F)F)(=O)=O,SYUBLCPIKWTNQX-UHFFFAOYSA-N
-A3215EE36DBC5662_5F1CE5D16E3D10CE_6028_UN,N(CC1(CC1)C2=NC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,IEORKVWJGJRMFR-UHFFFAOYSA-N
-A4A8D939D123F31F_3E32BE6624F19BA8_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCO)C=C2)F,BKAHGNBZRHWRJB-UHFFFAOYSA-N
-A4BD94BB91AB10AF_41D53E6570A8450C_6041_UN,C[N]1C=CC2=C1N=CN=C2NC(C)C3=CC=C(C=C3)[S](=O)C,GVNZUZORRUTLKL-UHFFFAOYSA-N
-A5B01217CED1B78E_A0E46C8B071C9D46_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=CC(=C(C)C=C3)C)(=O)=O,FJMQRRNBNOAUKA-UHFFFAOYSA-N
-A60DDC53E0CF615D_E09DD7C881A522FA_6038_UN,C[C@H]1C([C@@H]1C)NC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,FVRDTQFGEYIJGM-NXEZZACHSA-N
-A65195CD972053EB_F270FCE6F50129B8_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)Cl,PCMKTSNFMDGTOJ-UHFFFAOYSA-N
-A67CCD217CB7BA63_02FA1FA451964B68_6041_UN,C1(=C(C=CC=C1)N2CCC2=O)NC(CC(C)(C)C)C(=O)O,JHWVHXXCEMJDOR-UHFFFAOYSA-N
-A759E3F7ED5EA2AF_BE25E9CA14319E7A_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,BXWYZXOVQIPWJP-UHFFFAOYSA-N
-A7969A749A695349_DB96E6F1BF07A13F_6029_UN,N(C[C@@H](O)C1=CC=C(C=C1)F)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,JYMNSURRBBAJQR-QGZVFWFLSA-N
-A87A7F53C5BAF770_DAD1A224F2D08788_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=C(O)C=CC4=C3C=CC=C4,IOFRJKNHXHYYIQ-UHFFFAOYSA-N
-A9C311F0367B1857_AC26984473AFECFE_6029_UN,OC1(CN(CC1)[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=CN=CC=C4,DKZIIBCZSHZAQG-UHFFFAOYSA-N
-AB15DD3FEA727E1F_3248358C8AF6610E_6028_DP,O[C@H]1CN(CC1)[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O,LSUKVSVJWSKSBQ-CQSZACIVSA-N
-B22FE0FC8430A6FB_787AA1E946ACD98E_6029_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,HDAFIRVKUAZSEB-UHFFFAOYSA-N
-B3696C8FAB9FA02B_562B37F807D70762_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=CC(=CC=C2)Br)(=O)=O,QLLWMKJCFNIGLR-UHFFFAOYSA-N
-B39FD477CBB903AC_67CCF90F5CA86B92_7005_UN,[NH]2C1=CC=C(C=C1N=C2CC3CCCC([S](C)(=O)=O)C3)C5=NC4=C(C=CC=C4)S5,YVUZIENZPMEVQS-UHFFFAOYSA-N
-B471DAB3AA9E9925_3173B0F542B201A4_6028_UN,N(CCC1=CC=C(C=C1)Cl)[S](C2=CC(=CC=C2)Cl)(=O)=O,PDDQQEUHQFSKLG-UHFFFAOYSA-N
-B5E3C535835B8F9A_6623E479990C5787_6029_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,SJQKPAUMABPCRQ-UHFFFAOYSA-N
-B7AE25C069A70A8E_CFAA292050DE624F_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=CC5=NN=C[N]45)(=O)=O,VMQXORJIUXYVDC-UHFFFAOYSA-N
-B82F3C9FF4721773_99E19C49A3169B46_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=CC(=CC=C2)Br)(=O)=O,BDNOGWCHUGYZPT-UHFFFAOYSA-N
-B84F9390AF97CAC9_439399E5E9095749_6041_UN,O=[N](=O)C1=C(C=CN=C1)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3,QJZVZWLRCWIWHJ-UHFFFAOYSA-N
-B97DE6448B7F0E10_C3552C399E377537_6029_UN,CC1CC(CN1[S](C2=CC(=CN=C2)[N]3C=CC=C3)(=O)=O)C4=CSC=C4,CYERXNPWQVPHQT-UHFFFAOYSA-N
-BB0CF6DE62037FCA_2820EFB25C87AB0E_6029_UN,C1C(CN1[S](C2=CC(=C(C(C)(C)O)C=C2)Cl)(=O)=O)C3=CC=CC=C3,QMPFTLHPQIGFHV-UHFFFAOYSA-N
-BB7080078246E44D_EB0C4F4E832E5E2F_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC=C(C=C3)F)=O,APANZIUDUCIDNF-UHFFFAOYSA-N
-BC8CE3CBA5EAF75C_8C5A1009A5C5A9BC_6003_UN,O(CCN1C(=O)CNC1=O)C2=C(C(=CC=C2)CC(OC)=O)[N](=O)=O,ACNYFQIYPBVJSB-UHFFFAOYSA-N
-BD52C23A8FA07E72_ECD78B6645957EE8_6026_UN,CC1=C(C=CC(=N1)Br)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,YFPLTXTUFKDQSZ-UHFFFAOYSA-N
-BDE282E42B320436_232BC0BDE1827A95_6041_UN,OC(=O)C(=O)CC1=CC(=CS1)NC2=C(C)[N](N=C2)C[Si](C)(C)C,KMCIYRIBXOQUIC-UHFFFAOYSA-N
-BE95B85BAB3D56D7_7EA83D9C812677B5_7017_UN,N3([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)C(CNCC3)C4=N[NH]C=C4,AFMIGSDFNUBUJA-UHFFFAOYSA-N
-BED6EE4DCD368216_7A582F8A53B80B1F_6029_UN,CC1CN(CC1O)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O,XQCBTQMCCGTINZ-UHFFFAOYSA-N
-C199C9480C26D1CA_2E1BF468F05A4A4B_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3C[C@@H](OC)[C@H](C3)OC,ZXQNVZZXIGGAAH-JLYLLQBASA-N
-C22B4B453821B5F3_FD0EDF06418CB039_6027_UN,CC2=C1CN(CCC1=CC=C2Cl)[S](C3=C(C)C=CC=C3)(=O)=O,LDCAKSJBNMCFRA-UHFFFAOYSA-N
-C22B4B453821B5F3_FD0EDF06418CB039_7015_UN,CC2=C1CN(CCC1=CC=C2Cl)[S](C3=C(C)C=CC=C3)(=O)=O,LDCAKSJBNMCFRA-UHFFFAOYSA-N
-C2ABC69DED05C7AE_7B03C895B10B676D_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC=C(C(OC)C)C=C2,AHCRKLYHUYMKGL-UHFFFAOYSA-N
-C2F613F6513B8CD5_0ECF7ED0C9BEDE2E_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,ZQMJQUBTWHQXKO-AWEZNQCLSA-N
-C4EAA328028A12AF_FCAC1D2E98CC526C_6029_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C3=CC(=CC=C3)OC4CC4)(=O)=O,OQYBBEGXKZXWET-UHFFFAOYSA-N
-C6F2461E1F19230D_8BB03A320A024E5E_6041_UN,CCC(=O)C1=C(C=CC=C1)NC2C3=C(OCC2OC)C=CC=C3,WCOVEGSSNKFALJ-UHFFFAOYSA-N
-C71E08275EDEBE72_E22F22E1DEB4F028_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)C(=O)C,CDZOZFDWTUEBQB-UHFFFAOYSA-N
-C8F00731FAD7DE0A_A89BF2856666FE2F_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=[N](C=C3)=O,XZVDHFKYYAAFJN-UHFFFAOYSA-N
-C95C70FB288AF4DE_6A8987CCE77290E1_6038_UN,CC(C)(C)[N]1N=NC(=N1)COC(C2=CC=CC(=C2)OCC(N(C)C)=O)=O,MIKRBTUQKGQPFJ-UHFFFAOYSA-N
-CA6CFFFDB5145441_9903D4E53D391D68_6035_UN,C[C@@]2(OC1=C(OC)C=C(C=C1)Br)C[C@H]2C3=CC=CC=C3,RXNLVXPSIOXBOS-WMLDXEAASA-N
-CF9EA8A59967A129_CB1F58D4BCC1331B_6029_UN,IC1=CC=C(C=C1)C2=C[N](N=C2)[S](C3=NC(=NC=C3)C4CCC4)(=O)=O,ZRVOKTKIQOCAJG-UHFFFAOYSA-N
-D0D1D3AE9F51E1D9_C2171289B34E360D_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC3=CC=CC4=C3C=C(O)C=C4,YKSLWMMHFDRCLH-UHFFFAOYSA-N
-D0E7757DD2D2D566_58B2CD4C03DE9053_6029_UN,CC1C(C1N[S](C2=CC=C(CO)C=C2)(=O)=O)C3=CC=CC=C3,OVTDUUXHPDKISO-UHFFFAOYSA-N
-D2DE94A8D25F6B4C_7AE688C16441AADE_6029_UN,CC1(C)CN(CCC2=C1C=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,FEIANFVZHYBVOR-UHFFFAOYSA-N
-D48037CF671B4FFF_3ABA377C3F6879AD_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,AJJPICFAIUCAOD-UHFFFAOYSA-N
-D51506AC4C536A83_81454F2D2C39B1BB_6029_UN,CC1=CC2=C(C=C1)[N](C=C2)[S](C3=NC(=NC=C3)C4CCC4)(=O)=O,JTOXTXFYYSWOAI-UHFFFAOYSA-N
-D54D011818D5E668_2F81ADD1854561BE_6028_UN,C1CC(CCN1[S](C2=CC=CC3=C2[N](C)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,BSIWIWFBCVQOTQ-UHFFFAOYSA-N
-D55D50CF4151EE9F_F337C6EC51B3C02B_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(N(C)C)C=CC=C4[S](=O)(=O)N(C)C,ZBHFIGTVCXYYQN-UHFFFAOYSA-N
-D691DFBD46606C69_2D0E6DB469DF6A5E_6041_UN,COC(CC1=CC(=CC=C1)N[C@@H]2C3=C(OCC2)C=CC=C3)OC,JVPATPWDUIUARE-KRWDZBQOSA-N
-D70E41E43D43EDE5_E66CF1CA30B86169_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=C(C)C=C(C=C4C)[N](=O)=O,JELYLIRARJLKPC-UHFFFAOYSA-N
-D7561F7DEB730EBD_586378B070AD7C12_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC3CCC([S](C)(=O)=O)CC3,QXOKCZBDGLNGIB-UHFFFAOYSA-N
-D84CE7F96D14D5A9_299B2C3041BE105B_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C=C3)[N]4C=CC=N4)(=O)=O)C,KEKRGEWKLYXPPF-UHFFFAOYSA-N
-D96F525B68C3CA53_B18D7423A59523E3_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=C(C=C4)[N]5C=CC=N5)(=O)=O,ZJMBPOHRMDCWJN-UHFFFAOYSA-N
-D9F60F1826B81672_F74A238CD26098B3_7019_UN,C(C1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC(=C(OC)C=C3O)C,KZCZRZDQJULNDD-UHFFFAOYSA-N
-DA32B37C058C47B6_00579D0F1947C6BF_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,NWGKHDPPARFOCO-UHFFFAOYSA-N
-DBDD61144082DD20_087BDC3D64E805F7_6034_UN,C[N]1N=CC2=C1N(C=CC2=O)CC(CCC(C)(C)C)N,CCBKKGJECXXYLI-UHFFFAOYSA-N
-DC970887730DBEAB_93D187E62BEE2F16_6029_UN,CC2=C1CN(CCC1=CC(=C2)Cl)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,SKJHAHFLKDNOSA-UHFFFAOYSA-N
-DDA84BB35578CDD7_0CF047509D937353_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O,ZJWRBGJGGZTEBZ-GJZGRUSLSA-N
-DFAC7DEE2D8766C1_8593C3F7F4D89AE9_6041_UN,CN(C)C1=C(C(=NC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[N](=O)=O,NDVHZQULZJVPRL-LBPRGKRZSA-N
-E32DC0B3A52DE280_2701AD7C26CE9409_6029_UN,N(C1(CC1)C#C)[S](C3=CC=C(C(O)C2=CC=CC=C2)C=C3)(=O)=O,LLMNNQYMSYVGEP-UHFFFAOYSA-N
-E3C80042BCC3569A_185911A0B0A3D630_6029_DP,C1=CSC(=C1)C2=CC3=C(C=C2)C=C[N]3[S](C5=CN=C(N4CCCNCC4)C=N5)(=O)=O,CEZAIFFYROLGAW-UHFFFAOYSA-N
-E40058DCB9B68905_C82FD7932E9C7AD5_6028_UN,N(CC1CCC=CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,NFAPSSFVNVXHRD-UHFFFAOYSA-N
-E4B04FDBFE0769F9_09B022DA46473661_6041_UN,O=[N](=O)C1=CN=C([NH]1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,LLTJZROQMWAIBZ-JTQLQIEISA-N
-EA0B3BC439030E8E_D0D30ADB0BA19361_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)C4=NC=CS4,TWRSZYCWLVCSCC-UHFFFAOYSA-N
-EB02980AC19F703C_9AC58485905F0326_6026_UN,CC1=C(C=C(C=N1)Cl)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,BKGQVBLSCJSZSD-UHFFFAOYSA-N
-ED5BC58DBB3A9FE7_37584AF1009C6C36_6038_UN,CC1=C(C=CC=C1NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)C,KWNIHJLJVDACDX-UHFFFAOYSA-N
-EDC92E59208B0AA2_9F3415269DA14339_6028_UN,CC2=C1CN(CCC1=CC(=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,VIRUWZFFPNCRQO-UHFFFAOYSA-N
-EEAAB4CC59AD92A6_A9373B62FA7FBA25_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC(=CC=C3)F)=O,QQEGCZVPBFOYAX-UHFFFAOYSA-N
-EEC5BB358E4DB7A4_C2D32AD58253B5AF_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CCCN(C2=CC=C(C)C=C2)CC3,UGMOGVMKMWSLJI-UHFFFAOYSA-N
-F02BCA47F1A6F947_68059920CDE20304_7019_UN,OC(CC=CC1=C(OC)C(=CC=C1)O)C2=CC=CC=C2,KYZTVUPZEYDZEQ-UHFFFAOYSA-N
-F171EAE7741E6013_C60EEE90F90F5A57_6026_UN,CC(C)(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3)F,IEIIUTKJSIRGMK-UHFFFAOYSA-N
-F349BF37F504BDB4_E9B9047610A12C33_6029_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,GXBKFXYAUXKMOG-UQHVZDHRSA-N
-F3AA4E8A154B805B_24F9CE75C1C1C508_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,WWFYXNLUYVWWLH-UHFFFAOYSA-N
-F443102A691C62F5_D5A2C8341D8BC91F_6026_UN,FC(F)C1=C(C=CC(=C1)[S](=O)(=O)N3CCC([N]2C=C(C)C=N2)CC3)Cl,KOMIFWRTJKHBIU-UHFFFAOYSA-N
-F4DE27F85CB407C6_130789CDBF495EA7_6028_UN,N(CCC1=CC=C(C=C1)Cl)[S](C2=CC(=CC=C2)I)(=O)=O,SXNFEDLUWUGWOD-UHFFFAOYSA-N
-F6F3DC995F4E6759_6F4C0201C6FC579D_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2=NN=C[N]2C3CC3,BVNKORMKZTWTGX-UHFFFAOYSA-N
-F88F4451A58BDB1F_48EA5E6F7EECF54A_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3C[C@@H](OC)[C@H](C3)OC,IOOGVZDBIFHXPT-ZMYVRHLSSA-N
-F9A779EFEA5A777C_872CBF63ED7869A4_6029_UN,C1CC(CCN1[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,JDTOKRUSDRAIMG-UHFFFAOYSA-N
-F9A8580E364ACFAF_B7EECC93427BE6C1_6041_UN,C1(=CC=C(C=C1)C2=CC(=O)CCC2)NC3C[C@@H](OC)[C@H](C3)OC,BHENPIUMAJHYEK-JLYLLQBASA-N
-F9ADB6CDA5F21382_BBCBB97AD6FD3425_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CNCCC4,OZWPHTRINJCSPK-UHFFFAOYSA-N
-FB07E150528BE06C_D66C86FAF290894F_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=CC(=CC=C2)Br)(=O)=O,AQZCZIXSGXYRAE-UHFFFAOYSA-N
-FB5BB25BEA6C74D6_7718014A1C9853E5_7019_UN,OCC(O)C=CC2=C(SC1=CC=CC(=C1)OC)C=CC=C2,FAGVLNQDNDEDBR-UHFFFAOYSA-N
-FD9B37C9B9474FF2_FA9D723A9DD6D76F_6029_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC(=NC=C2)F)(=O)=O,DTGIQRPQKKILHR-UHFFFAOYSA-N
-FE4B9BE72E9A73FC_3AC1951933E70D52_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCNCC4,JPEDSRYZCHRBDP-UHFFFAOYSA-N
-FE4B9BE72E9A73FC_8A33C4E710877D0B_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCNCC4,JPEDSRYZCHRBDP-UHFFFAOYSA-N
-01583F4EE71790CF_2A71E2029CFDD89C_6039_UN,CCOC(=O)C2=NC1=C(C=C(C=C1)OCCCCC(N(C)C)=O)S2,YBRQVQUVXAQSJN-UHFFFAOYSA-N
-04A072DEEAA2A8A3_7E42F3E043FD97C2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@@H]4[C@H](N(C)C(C4)=O)C5=C([N](N=C5)C)C,CEQZBPDXZSHIHW-QFBILLFUSA-N
-0640597D6249D47B_16C204FCA6D85EC5_6029_UN,N([C@H]1[C@@H](C1)C2=C(C(=CC=C2)Cl)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,BIQILZARJALVRL-AZUAARDMSA-N
-0653DB79324E111E_67DFB4E3ED9CE8A2_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC=C(C3=C[N](C)N=C3)C4,NUYNYQUZWIJFPX-UHFFFAOYSA-N
-066B27CD5C720548_C92245D3AA201D19_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC(C3=NC=C[N]3C)C4CCOCC4,UVUXIPFKDKXGBS-UHFFFAOYSA-N
-0742111190268C81_5BC0AA02DB6737B9_7019_UN,C(CC1=CC=C(C=C1)[S](=O)(=O)Cl)=CC2=C(C=CC(=C2)F)OC3=CC(=CC(=C3)F)F,JGGJRGNDVNOHHR-UHFFFAOYSA-N
-074C588D6B898FE0_053520363DA83664_6031_UN,O(C(=O)C1=CC(=CC=C1)[S](=O)(=O)F)CC2CN(C(=O)C2)C3=CC=CC=C3,DQMMBNLFLJATQO-UHFFFAOYSA-N
-07A7A9FED5FB94AD_B3A8D5D967122005_6038_DP,OC1=NC(=CC=C1)CCNC(=O)C2=C[NH]C3=C2C=CC(=C3)[N](=O)=O,BKSPPCSJBHXCHO-UHFFFAOYSA-N
-080B3131D32DDA08_B62AC6BA6C88B99C_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C[N]2C3=C(N=C2CC)C=CC=C3)=O,ROUNLTZWPXVWIV-LLVKDONJSA-N
-081B038E7AFBE662_DD03F86A63D4829B_6029_UN,C1CC(=CCN1[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O)C4=NC=CS4,DDPAHPFRYJKNCY-UHFFFAOYSA-N
-086A1150AA579C78_D62EEE37037DEBCB_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2C(C)COC2=O)C=CC=C3,JDFGATFRZHTYNQ-UHFFFAOYSA-N
-08934B467009C4E9_8B98B9EDAF6CCDA1_6029_UN,N([C@H]1C[C@H](CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,BEIFCSLWACTDPD-LSDHHAIUSA-N
-0C4A3D4443E4585A_4FAF28BA04FE8BAD_6041_UN,CN(C)C1=NC(=NS1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,DOQMVUXXIOUCRC-GFCCVEGCSA-N
-0D1866B87D689969_88A8B36A2D70CF92_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC(CC)(CC)C3=NN=N[NH]3,GEZXMBFLMQITOZ-UHFFFAOYSA-N
-0E6D59038C26E09A_5D09913433E773A1_6035_UN,CC(OC1=C(C=C(C=C1)[S](=O)(=O)Cl)F)COC(=O)C=C,NENIALWYHRIQCL-UHFFFAOYSA-N
-12248E62DFD30930_9B334187E65E23E3_6041_DP,C1(=NOC(=N1)C2=CSC=C2)NC3=C([N](N=C3C)C)C4CNC4,ODZVTLAMUBMTCF-UHFFFAOYSA-N
-1292692504C2D85A_AD54FE2783EE62BB_6028_UN,N(CCC1=C(C=CC=C1F)F)[S](C2=CC=C(C=C2)Cl)(=O)=O,RKCDBLQFBNTEEK-UHFFFAOYSA-N
-146B05A4A2998BD4_3EA8DAE833E13B2E_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)N4C(=O)COCC4=O,TYEPVRRXKNLXAZ-UHFFFAOYSA-N
-14830ECF1D1812D5_15DD21E53BEFDF75_6041_UN,C[N]1C(=NC2=C1C=CN=C2)NC[C@@H]3CCO[C@H]3C4=CC=N[N]4C,CFOIUHPXJPCMIV-XHDPSFHLSA-N
-14830ECF1D1812D5_96DDF0ED89FDE35D_6041_UN,C[N]1C(=NC2=C1C=CN=C2)NC[C@@H]3CCO[C@H]3C4=CC=N[N]4C,CFOIUHPXJPCMIV-XHDPSFHLSA-N
-148E751C79FBABB2_3958C67BFED1585F_6038_UN,CC1=CC(=C(C=C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[S](=O)(=O)C,WNDYFDDCCVXUQC-UHFFFAOYSA-N
-14DE254101D6A2CA_D9CF14D8C5C0E925_6034_UN,O=C1N(C(=NC2=C1C=CC=C2)C3=CC=CS3)CC4=NN=C([N]4C)C5CCC5,DFMUKJIRBGRMHJ-UHFFFAOYSA-N
-171EA3349B80C208_7CBE51A50A36CBF4_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)N4C(=O)COCC4=O,XFAPXNRHEBNZDK-UHFFFAOYSA-N
-17B3E05420947765_9C9EA20DE52D4C9B_6039_UN,OC(=O)C(OCC1=CC=C([S](Cl)(=O)=O)C=C1)(C=C)C(F)(F)F,VDBOVGJDTJMQCY-UHFFFAOYSA-N
-18DA7C007FE467DD_B9BB6E367D6268F8_6003_UN,O(C1=C(C=C(C=C1)Cl)C2CC2)C3=CC=C(C(F)(F)F)C=C3[S](=O)(=O)Cl,URBUFOKRFRKIOA-UHFFFAOYSA-N
-19D02A0C5266B4AF_D718D6C34F75C177_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C[N]2C3=C(N=C2CC)C=CC=C3)=O,ROUNLTZWPXVWIV-NSHDSACASA-N
-1AC7F765EBF6CD14_1F61CCA8308DB4B0_6029_UN,C1CN(CCN1[S](C2=CN=C(OC(F)F)C=C2)(=O)=O)C3=CN=CC=C3,OMCXWYMPTUEERW-UHFFFAOYSA-N
-1B66BB150A3F108B_BDE124B1E489F68B_6038_UN,CN(C)C1=CC(=C(C=C1)NC(=O)CN2C(=O)CCC2=O)C,VVZLCQHTPAFVGL-UHFFFAOYSA-N
-1B6A614D233B9680_0149B3A7835D9A3B_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=NC=C[N]3C)CC4,CCRMGNBYKVNVIC-UHFFFAOYSA-N
-1E3244FA0CECC06B_78D33662B40D92C6_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,RTEPFTOVQLIBJD-BXUZGUMPSA-N
-1F4FFD5792CF0752_C650BE0BEEC40EEE_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(OCCC2)C=C(C=C3)F,LKLMTHBTPMWPFP-UHFFFAOYSA-N
-1FDBB4970FEFDBE0_5BB62E76BECE848F_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,IUPJGJNFJMPAHX-UHFFFAOYSA-N
-203F40878EDBAE2D_7624A54FE456D102_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC=C2F)CC=C,SBYFHYDQZKBVDL-UHFFFAOYSA-N
-2057B35C6F893768_424C3B7A7D7F093C_6039_UN,CCOC(=O)CC1=CC(=C(C=C1)OCC[S](O)(=O)=O)F,VBPMHTSKBVSFRK-UHFFFAOYSA-N
-209D41D06C0DFCB5_E1D1475517C74BBD_6041_UN,CN1CC[N]2N=CC(=C12)NC4=C(C3=NN=C[N]3C)C=CC=C4,PXHHFJZFELFDHC-UHFFFAOYSA-N
-20DABC1124D8320A_BF0FA2321297960E_6038_DP,OC(=O)C[C@H](NC([C@H]1N(C)C(CC1)=O)=O)C2=CC=CC=C2,UWWWTDPTWVOBMM-RYUDHWBXSA-N
-20EFBBD837922BDA_4BC30FBAB4992B8A_6038_UN,CC1=NSC(=C1)COC(C3=NN(C2=CC=C(C)C=C2)C(CC3)=O)=O,GBMJCNPKXYVJLS-UHFFFAOYSA-N
-226AC56BEE9EDFF6_34D752F89D445886_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4,NDTIQISUVAAEPB-UHFFFAOYSA-N
-22DF198E6381ABB8_36F02810EFC5B8E3_6034_UN,O=C1N(C(=NC2=C1C=CC=C2)C3=CSC=C3)CC4=NN=C([N]4C)C5CCC5,MEILDAANQAMUAA-UHFFFAOYSA-N
-254928DA9C33774A_19F888E7615EC67E_6038_UN,CC1=CSC(=N1)C2=CC(=CC=C2)OC(C3=NN(C)C(CC3)=O)=O,DSMOMOLWQCKLGY-UHFFFAOYSA-N
-27B416E02297E836_B20051AE424B7A78_6041_UN,CN(C)C1=NC(=NC(=C1)NC2=CC3=C(N=C2)OCO3)N(C)C,PDMNQYRPURAADB-UHFFFAOYSA-N
-286AD94DE43BCBB3_59D89A62FD609A71_6026_UN,ClC1=CC=C(C=C1)[S](=O)(=O)N(C2CCC2)C4=C3N=CC=CC3=CC=C4,NWQFOOMLTLCYBO-UHFFFAOYSA-N
-28E372702B77BE61_30F0379F36662CE0_6041_UN,CC2=C(C1=NSN=C1C=C2)NCC3=CN=C(N(C)C)[N]3C,KRHYLHWDECZGAR-UHFFFAOYSA-N
-29F584E10F1B953B_EEC400AE2ED681DF_6041_UN,OC(=O)CC1=CSC(=N1)NC3C2=CC=CC(=C2OCC3)C,RSQOHXWOWRLFGT-UHFFFAOYSA-N
-2A5E557B2C64F1CD_B5518279A58EFBE2_7019_UN,C[N]1N=NC(=C1)C=C[C@@H]2CCCO[C@H]2C3=NC=C[N]3C,YJFKYPMDSCNKBE-WCQYABFASA-N
-2ABEDCC8A7132ED6_999E02906E0D5EA7_6039_UN,O(CCCC[S](=O)(=O)O)CC1=CC=C(O[S](F)(=O)=O)C=C1,BLAODIFTFSWIRV-UHFFFAOYSA-N
-2C472359351BA8FD_9001E2D22313509E_6035_UN,O(C1CN(C1)C2=NC=C(C=C2)Br)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,HUWRMSASORLJOS-UHFFFAOYSA-N
-302C2589765B951B_6949C515E4173E45_6041_UN,CN(C)C1=NC2=C(C(=N1)NCC(N(CC)C)=O)C=CC=C2,OMRBGQAEMISHEU-UHFFFAOYSA-N
-30CD33BBE342B0AD_8865F948EB0CF775_6026_UN,ClC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,NLQLXULGTHNPHF-UHFFFAOYSA-N
-3215B6DE580730F6_BCDEBA85D774B7BC_6038_UN,CN3CCC(OC(=O)CC1=CSC(=N1)C2=CN=CC=C2)C3=O,WRJUBQDXDMMDKA-UHFFFAOYSA-N
-329D8A7350212A2A_35EEE52AC26238B3_6041_UN,CC(C)N(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=C(C=C3)F,CIELAAMOOPMRKK-UHFFFAOYSA-N
-33E43F97FF74D35C_A628E97BC6B24C8E_6026_UN,FC1=CC(=CC=C1)[S](=O)(=O)N(C2CCC2)C4=C3N=CC=CC3=CC=C4,KFRKBZFQSIIEKL-UHFFFAOYSA-N
-340D7311FAD19435_6D3E103FEEFE71D7_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,LQIUKPODBBTSKP-UHFFFAOYSA-N
-341B79A9F37C3BA5_906B763A80D8D6E5_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NCC2CCCCC2C3=CC=CC=C3,ATHNARLKUZEFKH-UHFFFAOYSA-N
-34ACB8F906B6571F_06D904C229B6184A_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,WKZCQGCCXDVEOO-UHFFFAOYSA-N
-37367F53F8912940_A58410405C042276_6041_UN,CC2=C(C1=NON=C1C=C2)NCC3=C(N(C)C)[N](N=C3C)C,IFUXNVRJUREERU-UHFFFAOYSA-N
-377B299FE935105B_944CF8F2107C9E9D_6031_UN,CCC1=C(C=C(O1)C(=O)OC[C@@H]2C[C@H]2C=C)[S](=O)(=O)Cl,ZNPRVGSCPQMKOQ-BDAKNGLRSA-N
-382E18186E04C893_34961D215B5A5A17_6041_UN,CC(C)N(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=CC(=C3)F,SVWSLXOUASQKEV-UHFFFAOYSA-N
-383C49DC819D471D_1097C8A1DD8D5B51_6041_UN,CC1=NC(=CC(=N1)NC2C(C)COC3=C2C=CC=C3)C4=COC=C4,YDXJEBCZZKRJRU-UHFFFAOYSA-N
-39622731EDBAAE2A_F263BBED38DF3D3C_6041_UN,CC2=NC1=C(C=CN=C1NC(CCCN(C)C)(C)C)[N]2C,DRDHALUGEURFIV-UHFFFAOYSA-N
-39A1577C73496E7D_87CEB5D8969FDD30_6031_UN,O(C(=O)CC1=CON=C1)CCCNC(=C2N=CC=CC2=O)O,PFSDWRUPJIEZBZ-UHFFFAOYSA-N
-39D4CB24AF9956EB_52832AD36F772C47_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3C(N(C)C(C3)=O)C4=C[N](N=C4)C)=O,IKTKSFYLHXSZDW-UHFFFAOYSA-N
-3B08C31FDC4A3F16_F891330FB2CEA8FA_6028_UN,C1CN(CCN1[S](C2=NC=C(C=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,XSSJCJXFRLPCDG-UHFFFAOYSA-N
-3B1B398A6556821D_495D65772DC96675_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C)C=NC=C3)CC4,HRLDRSBLTZKTMW-UHFFFAOYSA-N
-3BA877AF9F8103C4_35D81385C041F61B_6041_UN,CN4CCC1=C(C(=NC=N1)NC2C3=C(OCC2F)C=CC=C3)C4,MPDCFIPXTLWBPY-UHFFFAOYSA-N
-3C1911D05C582D58_556D53E826BB9369_6026_UN,[S](=O)(=O)(C1=NC=C(C=N1)Br)N2CC(C2)OC3=NC=CC=N3,MJQKSAIEFMTRAD-UHFFFAOYSA-N
-3D5DF38A5A30AD81_E879C01794D2B113_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(N[S](CC)(=O)=O)C=CC=C3)=O,SVICUIRUBDLMPY-UHFFFAOYSA-N
-3E8FEA6B13945027_E8DE3ADE4D50EE72_6038_UN,CN3CCCC(=COC(=O)C[N]1N=NN=C1C2=CSC=C2)C3=O,TXHYGRZUCMTENB-UHFFFAOYSA-N
-4173D9A0892F6D40_B138158F1DDA6F45_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,HYPSVKCZRYSMHX-UHFFFAOYSA-N
-43451C4A42A1AF84_54B7515767AD7C04_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=CC(=C3)N4CCOCC4,BRGWWTXCBGJJRM-UHFFFAOYSA-N
-438711E84F6B7B29_741D1FC75867366D_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC=C(C=C3)CN4CCOC4=O,TYCWULPJWOMMNC-UHFFFAOYSA-N
-4593AF1570384E96_E89B348223EF8D32_6035_UN,O(C1(CC1)C2=CC=CC=C2)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,PTZVRAFNGWBNSY-UHFFFAOYSA-N
-46247E199EC3FC10_7EF23CCCA6980FC6_6041_UN,CC3=NC1=C(C(=CN=C1)NC(C)C2OCCOC2)[N]3C,MFMRKASPUWYKKJ-UHFFFAOYSA-N
-49D4E391BF5BF548_361049D28B7B152C_6031_UN,O(C(=O)CCC1=N[NH]N=N1)CC2=C(N(C)C)C=CC=C2Cl,YOFGIFPBUAIZIU-UHFFFAOYSA-N
-4ACD13E94191A5E4_D4BFD7917FD8A9A5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)N4CCN(CC)CC4,SXBBKZAMQBLLQS-UHFFFAOYSA-N
-4B912C3369CBB1D6_50CECFEC256D7C81_6041_UN,CN(C)C1=NC3=C(C(=N1)NC(C)CC2=CSC=C2)C=CC=C3,JXHAHWXWXQVYMS-UHFFFAOYSA-N
-4BF9743C6097D4FE_17708162F6F87B72_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(=O)C2=NNC(=O)CC2,CMQQEODDIFCBNA-UHFFFAOYSA-N
-4CAF40D545375539_53C6710789892C16_6041_UN,CN(C)C1=NC(=NS1)NC3C2=CC=CC(=C2OCC3)CC,PEMZREHRVIYBTK-UHFFFAOYSA-N
-4DFF33C98E2426F0_8F818E8ADB9F0699_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=NC3=C([N]2CC)C=CC=C3)=O,ONNLTDMMWPVFMN-SNVBAGLBSA-N
-505677966F9EEE04_F7962BBB3CB9A3E5_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2(CCOCC2)C#N)C=CC=C3,CKARCAXNDXBTLH-UHFFFAOYSA-N
-510F32FD704275A4_7B11F09CF7EB0895_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C(C)OC3=C2C=CC(=C3)F,LBROYRYDEJEVSS-UHFFFAOYSA-N
-5165E540836B228A_40BAC393A9BA49F2_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OCC)C=C(C=C3)N4CCN(C)CC4,GFMCSZUTJABMLQ-UHFFFAOYSA-N
-522AED883ACE4C4A_AFCF5030881855E2_6041_UN,CC1CN(CCN1C)C2=NC=NC(=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,XQGMCTBNJKKDBD-FQNRMIAFSA-N
-540656A8C5D6705B_E022B3FA34CA3905_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C([N]3C)CC#N)(=O)=O,VHMXXYPDZSCMHA-UHFFFAOYSA-N
-542E5D30CA02F6E9_20874F1C9EA56F94_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(N(C)C)C2=CN=CC=C2)=O,MQPMJUNPUOFFSZ-NUHJPDEHSA-N
-5469DDA929269E21_1E171E2E08417D54_6041_UN,CN(C)C1=NC(=NS1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,JWSWUICOSNRRHH-NSHDSACASA-N
-54D41B8A8A34A548_3ACB12DF70EC4731_7022_UN,CN(C)C1=NC=C(C=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,OBFSUGXBNHHFCC-CYBMUJFWSA-N
-5866E661AC7143B4_5187CD4500A81A31_6041_UN,OC(=O)C1=C(N=CS1)C2=CC=C(C=C2)NCC3OC(OC3)=O,MALIBZAQHGMHFA-UHFFFAOYSA-N
-58706CDE58DF9A29_B91C43E884765995_6031_UN,O(C(=O)C[N]1N=CN=N1)CC2=C(N(C)C)C=C(C=C2)Br,ORCFBBKHABOWAX-UHFFFAOYSA-N
-59056671D55E1E9D_C18D72611F5307C3_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2(CC)COC2)C=CC=C3,SJNXJPKTKUDFJN-UHFFFAOYSA-N
-592DA9D0D57EABBF_CD06B6F78E095545_6034_UN,N#CC1=NN=C(N1CC2=C(N(C)C)N=CC(=C2)Br)C3CC3,ZFNFDSVRBJEROB-UHFFFAOYSA-N
-5A9376BC12107552_8627068BD0714498_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C)N=C(C=C3)C4CC4)=O,RBKMOLHJRHGNGK-UHFFFAOYSA-N
-5B05121CDED62C74_3D2FB4907CB3255F_6041_UN,CC1=N[NH]C2=C1C(=CC=N2)NCC3=C(N(C)C)[N](N=C3C)C,XLNQGSCKYNJDIF-UHFFFAOYSA-N
-5B6E96832CCC6637_E42497D0683CE3B6_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)F)Cl)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,HSRMVALTFOSJTN-XYPYZODXSA-N
-5B79B6183059E5FA_44E87D117AEB41AD_6041_UN,C2(=NC1=C(COCC1)S2)NC(C3=CC=N[N]3C)C4=CN=CC=C4,GHDBLIMWCPZQRC-UHFFFAOYSA-N
-5D1B21342604A0EF_EB53607D1181CD9B_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCCC2C3=CC=CC=C3,YWZSPMOQHNUIBJ-UHFFFAOYSA-N
-5DFBD31CBBCE8DB5_8CA6040C14FA0C24_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC(=CC=C3)CN4CCOC4=O,BPFJBDVBUGICLV-UHFFFAOYSA-N
-5E31B3916778A937_7D07F281935B6332_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCCC4)C5=N[NH]N=N5,WYCQDTZKJVKXNA-UHFFFAOYSA-N
-5E862D6781D55ACD_D29D8CFC6A55334A_6038_UN,CC2=C(OC(CC(C)(C)CC1=CC=CC=C1)=O)C(=O)CO2,FQLVQTVFSXZEBJ-UHFFFAOYSA-N
-5EE15B4AC83B2D05_3FF402A9A418B44A_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=CN=C(N)N=C3)=O,COQBFQLBWOCRPN-UHFFFAOYSA-N
-5F9272E520ED7608_188D47859B8507F1_6041_UN,CC1=NC(=NC(=C1)NCC2CC3=C(OC2)C=CC=C3)C,WRSABFFCCTZWOI-UHFFFAOYSA-N
-60448DCFB67E7AF8_38003E3EA15243B3_6031_UN,O(C(=O)C[N]1N=NN=C1C2CC2)CC3=C(N(C)C)C=CC=C3Cl,IBINTCRCRIHUII-UHFFFAOYSA-N
-60A46AFB04B455BD_720A55E7128ED1E0_6028_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(C=C(F)C=C2F)F)(=O)=O,YCZZPOZWOVHONG-UHFFFAOYSA-N
-610980D8AB92E60E_79EDC4DF0F5AF39C_6038_UN,N(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=CN=C(C)C=C3)=O,ZIDZSQPBZGEHHT-UHFFFAOYSA-N
-61E6AF91C0EEAD76_40BCC228C01988BB_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC3=C(N=C2)OCO3)N(C)C,VMZCCVSIXSBKOT-UHFFFAOYSA-N
-621E535C1E1DCE3F_DEF020652008AEDA_6038_UN,CC1=NSC(=N1)COC(C3=NN(C2=CC=C(C)C=C2)C(CC3)=O)=O,AOENURZLTLBTCM-UHFFFAOYSA-N
-637B75687BF7173D_896C5EB34554BD01_6038_UN,COC[C@H](OC(=O)C(=O)CCC1=CC=CC=C1)CC#C,NUUSVHHTOIYKTH-CQSZACIVSA-N
-68579064FDD300BB_1421899ED10E3037_6034_UN,CC1=C(SC(N1C[C@@H]2COC(=O)N2)=N)C3=NC=C[N]3C,ZNOKPKYOGHHFII-MRVPVSSYSA-N
-688BA8303E017C5D_F92209B1EA56F8BA_6031_UN,CC1=NC(=N[NH]1)SCC(=O)OCC2=C(N(C)C)N=CC=C2,LTWRBEUOWMRRHW-UHFFFAOYSA-N
-6987978208D4A381_94E60A546BC48258_6029_UN,O=C(C1=CN(CCC1)[S](C2=C(C(=C(CO)C=C2)F)Cl)(=O)=O)C3=CC=CC=C3,DQBPVQNEUQFCSL-UHFFFAOYSA-N
-6BDD74356A5B667E_4CBA156DA6BEFF9B_6041_UN,CC1=NC5=C(C(=N1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4)C=N[N]5C,ZXTWHSCNJCIVHX-UHFFFAOYSA-N
-6E5F37AFCB09146B_7104BE8A18EE93C1_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,LPGUMQNCTDAMBZ-UHFFFAOYSA-N
-6E6CC5E16AB2AE5D_F8B81893FBD31E1F_6041_UN,C1(=NOC(=N1)C2=CC=CS2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,KFOSSJJFDJKUIV-UHFFFAOYSA-N
-6FFF2CE0AEA26000_C3DC2133DAD5A4AC_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=C(C)N=CN=C3C)=O,LRBGWLANWBSZJP-UHFFFAOYSA-N
-71796263ACBF87EB_0F024855EB50A930_6026_UN,FC1=C(C(=CC(=C1)Br)F)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=CC(=CC=C3)OC(F)(F)F,JXHUQMSDPFVYAM-UMSPYCQHSA-N
-7447C66FCA6E502F_AE1AC1F5783D1654_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=C(F)C=C3)CCC4,HYOWGDJDFSLWAX-UHFFFAOYSA-N
-747215662F171B18_3F7F47D18EB0E477_6038_UN,CCCOC1=CC=C(C=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,GKWQGCZEIFBNPB-UHFFFAOYSA-N
-7569B8269AC83C5C_CB0FCADA8729B7B5_6038_UN,CN(C)[C@@H]1C[C@H](C1)OC(=O)C[N]2N=NN=C2C3=CSC=C3,JZKIVAOEIZYRFA-XYPYZODXSA-N
-7702BBA706C69C05_CD8C832D3CD640A3_7009_UN,CC1=C(C=CC(N1)=O)[S](=O)(=O)NC(=O)C2=NNC(=O)CC2,LUNIEDKDWHOOBO-UHFFFAOYSA-N
-77169DA69C63B103_FB74C499BF71A068_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)N(C)C,ZMADFIJZKGJUIC-ZDUSSCGKSA-N
-77E4F05D613C93C7_4AC59D6CD1C690C9_6041_UN,CN(C)C1=NC(=NC(=C1)NC2=CC3=C(C=C2)OCO3)N(C)C,AYZPVUHSMKQNKO-UHFFFAOYSA-N
-78DC039D70C055F5_A912BC33BF1687E2_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,TUPXOAZFWIEXDQ-UHFFFAOYSA-N
-78F91854DEBDE682_5CE16B2B6F3513CE_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CN=C(CC(C)C)C=C3)=O,HNFQXTYFVNBNEH-UHFFFAOYSA-N
-79938570A8B8CFDD_288BBF4DC4E3CD18_6026_UN,FC1=C(C=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,PIKMJIHBXSFCTJ-UHFFFAOYSA-N
-7A7F2265575AFB95_DE4A295ED010E47B_6041_UN,CC(C)C1=NC(=NC(=N1)NC3=C2C=CC=CC2=NC4=C3OCCO4)N(C)C,IVYJCDPAASNKHB-UHFFFAOYSA-N
-7E5DE6DC680540D2_1068171F3DBB0BB2_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N(C2CCC2)C4=C3N=CC=CC3=CC=C4,LNUGTXXYOLOCNY-UHFFFAOYSA-N
-7F4FED58BA58334D_7EE178300ACA162B_6031_UN,O(C(=O)CC1=NN=N[NH]1)CC2=CC(=C(N(C)C)C=C2)F,CLXKXEZYTAKNJW-UHFFFAOYSA-N
-8216F96D2D514F73_562C8BDCCC397AAA_6031_UN,O(C(=O)C[N]1C=C(C=N1)[N](=O)=O)CC2ON=C(C(OCC)=O)C2,WGEYORMGLPPTAJ-UHFFFAOYSA-N
-82B60B1DE69CC403_52916DAD8F0A8B67_6041_UN,CN(C)C1=NC(=NS1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,JWSWUICOSNRRHH-LLVKDONJSA-N
-845EA255681250CD_04F0292D573D0E60_6041_UN,CC3=CC1=C(N=C(N=C1NC2=C(N(C)C)C=CC=C2)C)S3,PWQZHUIDBGWFHT-UHFFFAOYSA-N
-845EF5AF87C32145_7C108BAF0B1961E2_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=C(C=C(F)C=C3)Br)(=O)=O,MWFUJTZZOSZTJS-AULYBMBSSA-N
-85CAE205BE61CFED_5377FF94C1BD4C9C_6038_UN,CC1=CSC(=N1)C2=CC=C(C=C2)OC(C3=NN(C)C(CC3)=O)=O,HQUMYUAMNYFNFH-UHFFFAOYSA-N
-869AA2BFB0DB69DB_B066B78EEC2F0B07_6041_UN,C1(=NSC2=C1N=CC=C2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,UBYDQZTVLPLTGB-UHFFFAOYSA-N
-86E599A0833B756F_E4CC6266CD13639C_6041_UN,CC3=NC1=C(N=CN=C1NC2=CC(=C(N(C)C)C=C2)C)S3,LZHDWFHENRAOTL-UHFFFAOYSA-N
-86FFB612BFF1350F_B12FAAC290D3B70B_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC=C(C[N]3N=C(C)C=C3C)C=C4)=O,IFZDBLBEFXWBFD-UHFFFAOYSA-N
-886C1CABCDABFB96_3A651592B2D9C710_6038_UN,O(C(CF)C[S](=O)(=O)Cl)C(COC1=CC=CC(=C1)OC)=O,FHQLXYGXDFKBAH-UHFFFAOYSA-N
-8B5C86A6C7CA0F86_DB327A75D6E80572_6034_UN,N#CC1=NN=C(N1CC2=C(N(C)C)C=C(C=C2)Br)C3CC3,KORZGQRBROFTFW-UHFFFAOYSA-N
-8E5D1CCE1774C6A7_DDC89679BCBFC5D0_7019_UN,C(C1=NN=N[N]1C2CC2)=CC3=C(N(C)C)C=CC(=C3)F,XOFGTWFAJLHUFR-UHFFFAOYSA-N
-8E721612FF32350D_12187E9CF99D2C35_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2C(SCC2)=O)C=CC=C3,FRQQXZAMFAJBAW-UHFFFAOYSA-N
-8E861353E82C71C9_4C163EC32E70FFCF_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC(=C(N(C)C)C=C3)C,FBLTXRCSDCNOBY-UHFFFAOYSA-N
-8F35A63D21C107A5_B728FF8D931613A3_6041_UN,OC(=O)CC1=C(C=CS1)NC2=C[N](N=C2)CCN3CCOC3=O,ZFUVLAGDJLPGKP-UHFFFAOYSA-N
-8F56845CD3DF148D_BB0C3A9F5AB29C62_6041_UN,CN(C)C1=NC(=NC(=N1)NC3C2=CC=CC(=C2OC3)OCCC)N(C)C,XPCSNRHPFPXTNO-UHFFFAOYSA-N
-905D0A809D3BC1A2_19A8A25F9E0884D2_6041_UN,CC1=N[NH]C2=C1C=C(C=C2)NC3CSC4=C3C=CC=C4,RCGDUIPVNIRPPD-UHFFFAOYSA-N
-90FEE0CB26182BAE_A437F4B414F3EB9D_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC4=C3CN(C(CCC)C)C4,VMJFLFCNMFKXLN-UHFFFAOYSA-N
-9140A2034192641D_EC2A11FB87959380_6034_UN,O=C(C1=CC=CS1)C2=NN=CN2CC3C(N(C)CCN3)=O,WNNHFCXTLDVIIV-UHFFFAOYSA-N
-919DBDE78B4C2C2E_EB8D851C5BA02D8C_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=C3C(=CC=C2)OCCO3)N(C)C,QWQDPEGARZPJEV-UHFFFAOYSA-N
-921858C1E2DA92BA_FAD3CA083C5864F9_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C(C)OCC=C)=O,AFDDKMWREFGABF-UHFFFAOYSA-N
-924D678D74088FE7_5D8008255D1CB63A_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=CC(=C(N3CCC(N(C)C)CC3)C=C4)F)F,RJEPTQBLESBUMB-UHFFFAOYSA-N
-940592BF19E7132D_A5E2575ADD8BA5E0_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4CCCN(C3=C(C)C=C(C=C3)F)C4=O,XSDPLGPDOKPOJK-UHFFFAOYSA-N
-94C1062CA1F8A70E_43CDA1D41E189221_6038_UN,O(C1=C(C(=CC=C1)[N](=O)=O)[N+]#N)C(=O)CN2CC(=O)NC2=O,CNCOQUBFPPMOGJ-UHFFFAOYSA-O
-95A67298AA11F5E5_29161FE0D429589C_6038_UN,CC1=C(C=CC(=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)F,KJYRACOXZHSUGQ-UHFFFAOYSA-N
-95C014C698FF48A0_76892CF1AECB8D06_6031_UN,O(C(=O)C[N]1N=NC(=N1)C2=CC=CS2)CC3(N(C)C)CC3,BTMOSIRDCLMMPE-UHFFFAOYSA-N
-95DB71FE7BFE6FB1_5E4DE5F129F9C57F_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@H]2[C@H](COC2)F)C=CC=C3,XFGBONWCEPEWTO-CMPLNLGQSA-N
-9712B6D1F578AFB9_2CC3BD46603BDD9D_6031_UN,O(C(=O)CCC1=N[NH]N=N1)CC2=C(N(C)C)N=CC=C2,QZXKYTAKWVWPBR-UHFFFAOYSA-N
-990DC0A8FD945C52_3B8E2B20C5AE1DBA_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)C=CC=C4,HMDXGBRTCCQMJD-QGZVFWFLSA-N
-9AFEA9714EE0B740_2AE566240F1A45AE_7019_UN,C(C2C[N]1C=NN=C1CC2)=CC3=C(N(C)C)C=CC(=C3)F,ZMJBHLKBZKPNNT-UHFFFAOYSA-N
-9FA623412FD7E1FF_30DE9D9FEEBE3E8F_6034_UN,NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CN=C(C)C=C4,WWRJELWQLISZFN-UHFFFAOYSA-N
-9FE5DB93B92283C6_E412548D71139EF4_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3C4=C(SCC3)C=CC=C4,DOLIRSUSMWRRMM-UHFFFAOYSA-N
-A19B9872234CCF3E_C4DAFA439B9140E5_6031_UN,O(C(=O)CCN1CCCC1=O)CC3=CC2=C(N=C(C)S2)C=C3,GCTROCHPLKZAHX-UHFFFAOYSA-N
-A33DEFAF3EAFCC36_BDE0889A902376CE_6041_UN,CN(C)C1=NC(=NC(=N1)NC2C3=C(OC2)C=C(C=C3)F)N(C)C,HPMOUSOOXDLTIH-UHFFFAOYSA-N
-A369E18B4CA06509_A76EFCB05B24A37E_6038_UN,CN(C)[C@@H]1C[C@@H](C1)OC(=O)C[N]2N=NN=C2C3=CSC=C3,JZKIVAOEIZYRFA-PHIMTYICSA-N
-A4491429C08BF2D3_8E94B09C1D2CF480_6029_UN,C1CN(CCN1[S](C2=CN=C(OC(F)F)C=C2)(=O)=O)C3=CC=NC=C3,PHIKDJOPLMDUKS-UHFFFAOYSA-N
-A60EC4A63A7ED91B_A67041FED193E35D_6041_UN,CC(C)SC1=C(C=NC(=N1)NC2=CC=CC3=C2OCCC3N(C)C)C,LLBWHHHTDVYSGX-UHFFFAOYSA-N
-A9B766530010542D_EF218DEC42D67C47_6041_DP,N1CCOC(C1)C2=CC=C(C=C2)NC(C)C3=N[N](C=N3)C,CZTMJGGGHWEJRR-UHFFFAOYSA-N
-AB67D1B2843F0308_7ACB44FD3E4A5A2D_6041_UN,CN(C)C1=NC3=C(C(=N1)NCCN2CCSCC2)C=CC=C3,WCESWVGDDPDYIK-UHFFFAOYSA-N
-AD45808338D0A7EA_B1E7709B1FE202F7_6041_UN,CN(C)C1=NC(=NS1)NC2C(C)COC3=C2C=CC=C3,SWPIKVUGGVVUJK-UHFFFAOYSA-N
-AE89F5B3F8285476_F60B3094899495A3_6041_UN,CC1=NC4=C(C(=C1)NC(C2=NC=C[N]2C)C3CCOCC3)C=CC=C4,GHJXHFLJKOAIFR-UHFFFAOYSA-N
-AEB334B0FDC12F36_F6AF080DB0326491_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NC2CC=C(CC2)C3=CC=C(C=C3)F,LGKDPXGGUGPIDY-UHFFFAOYSA-N
-AEFADD62F4C4A1D0_F4D68A51D7DDB88E_6034_UN,BrC1=CC(=CC=C1)N2N=CN(C2=O)CC(N)CC3CCC3,LNJRGUQWGNZOQQ-UHFFFAOYSA-N
-B268370C31693B73_1177CDB532A4FABE_6039_UN,O(CC(F)(F)CC=C)CC1=CC=C(O[S](F)(=O)=O)C=C1,GCRBOXITGDBIDA-UHFFFAOYSA-N
-B316B08E8C5FD4E6_5E09480B5A7DE727_6041_DP,C1(=NOC(=N1)C2=CC=CO2)NC3=C([N](N=C3C)C)C4CNC4,GVTDTXLDEBQTQP-UHFFFAOYSA-N
-B373BED3F9A27A78_60F815F81C1744C0_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CN=C3)CC4,FTFSRQVJPSPYJX-UHFFFAOYSA-N
-B6C8918B7CEC0AAA_5E1311133E7581AB_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(CC)C=NC=C3)=O,ITACMYSUAIZASB-UHFFFAOYSA-N
-B72F082553882651_3BFD887021446C4F_6034_UN,CC1=CN(C2=C1C=CC(=C2)C)CC3=NC(=NO3)N(C)C,XXEZZCDOSDRGLO-UHFFFAOYSA-N
-B7592DB0ADA2D4D4_B8168E194B1E7666_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCC(C)N(C)C)C,ZUACTDHFFMFTME-UHFFFAOYSA-N
-B8EE5C819704D9BD_F5640073A5283778_6038_UN,C[C@H](OC(CCCN1C(CN(C)C1=O)=O)=O)CC2=CSC=C2,PNUXIZYMRJMWRC-NSHDSACASA-N
-B9DC63B09D6B4570_5720B7ED38F32B6A_6041_DP,C1(=NOC(=N1)C2=CC=CS2)NC3=C([N](N=C3C)C)C4CNC4,SFFAMTYOTFQXQR-UHFFFAOYSA-N
-B9E73926DAA4320C_0F400E51C919CF84_6041_UN,CN(C)C1=NC(=NS1)NC3C2=C(C(=C(C)C=C2)C)OC3,INYCYQKDIVIVIB-UHFFFAOYSA-N
-BB42D317986E40B1_2EA60FAA4FFBE160_6041_UN,CN(C)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCCO3)N(C)C,QWWAIDAKTQABQQ-UHFFFAOYSA-N
-BB5344F123B0B678_C5CD84B8BFDC2FE7_7005_DP,[NH]3C2=C(C1=NSN=C1C=C2)N=C3C(CC4=C(C)[N](N=C4)C)N,GRBHXROGAYYQGE-UHFFFAOYSA-N
-BBB50660A2DCA5BF_4D0955B7CCBD1F71_6031_UN,O(C(=O)CCCC1=NN=N[NH]1)CC2=C(N(C)C)C=C(C=C2)Br,DICYZIBNZJTRMX-UHFFFAOYSA-N
-BBFB3171A1F27289_16C8E2FBA859A14C_6035_UN,O(C1CC(C1)C2=CC=C(C=C2)Cl)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,JWYYGEYBXPRORZ-UHFFFAOYSA-N
-BD383B593D936FF7_1B4EBD072ED768ED_6035_UN,O(CCC1=CC(=CN=C1)Br)C2=C(N)C=C(C=C2)[S](=O)(=O)O,MXZFPHCEJDVNPT-UHFFFAOYSA-N
-BE002D4929864CF3_5FC79645B150A290_6031_UN,O(C(=O)C[N]1N=NN=C1C2CC2)CC3=C(N(C)C)C=C(C=C3)Br,QGRIOAWWOVUXRX-UHFFFAOYSA-N
-BF3774CE5BCF2525_CCE392105341C26F_6026_UN,FC1=CC=C(C=C1)[S](=O)(=O)N(C2CCC2)C4=C3N=CC=CC3=CC=C4,WBVHHNFYSXUHMT-UHFFFAOYSA-N
-BF3F39FBABF47850_EEB39EF3F8627E72_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=NC3=C([N]2CC)C=CC=C3)=O,ONNLTDMMWPVFMN-JTQLQIEISA-N
-BF7ECD71680ED13A_E9002DDC1C725EE4_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@H]3[C@@H](C3)C4=C(C=CC=C4F)Br,PIWJOGCIMDBZRA-YLJYHZDGSA-N
-C0FFC34C07F24514_E9BA9C895D9952B2_6029_UN,N(C1=C(N=CC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,KJKJSFJXDYHABP-UHFFFAOYSA-N
-C11D0A2DF786B584_00AD56C5D0090385_6041_UN,CN(C)C1=NC(=NS1)NC3C2=CC=CC(=C2OCC3)C,SVPAUACKJKGJBQ-UHFFFAOYSA-N
-C69BE68FE0195862_51ED4CFD304E5EDA_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,WEEMIYYFLKHTTM-IFMALSPDSA-N
-C6BFA82AA11D50D0_2DA3C330BF58F9DF_7022_UN,CN(C)C1=NC=C(C=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,OBFSUGXBNHHFCC-ZDUSSCGKSA-N
-C8D60B24E0B99035_A8FB46589DEC455E_6041_UN,CN(C)C1=NC3=C(C(=N1)NCCC2SCCS2)C=CC=C3,NFKSNSCBCBEFSZ-UHFFFAOYSA-N
-CD1F99881AA55AC2_445086659631168B_6041_UN,CC(C)[N]1C(=NC=C1NC2CCOC3=C2C=CC=C3)C,UOXPCGRRHHRMBR-UHFFFAOYSA-N
-CD6F86026A90A7DA_7D92B8F948B0E942_6026_DP,OC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,UIVDHEBKISYPNM-UHFFFAOYSA-N
-CF199FA7346CFBEB_AA745C60DADE3369_6041_UN,CC(C)C1=NC=C([N]1C)NC2CCOC3=C2C=CC=C3,LPVMIVPYDKMPQJ-UHFFFAOYSA-N
-D1CEDED13346F3D1_8043749C5457E356_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC=CC(=C3Cl)Cl)(=O)=O,WHZNLZZXTNTFAX-PRHODGIISA-N
-D3AF1C3FAC7D4615_1F6557C968D8246B_6034_UN,O=C1CN(CC(=O)N1CC(N(CCC)CCC)=O)C2=CC=CC=C2,MOTGDWDHURQQBV-UHFFFAOYSA-N
-D3B39470E42D36C6_42F75AE0C0511AC1_6034_UN,CC1=C(SC(N1C[C@H]2COC(=O)N2)=N)C3=NC=C[N]3C,ZNOKPKYOGHHFII-QMMMGPOBSA-N
-D8A656A444AFB02F_623F78DFF1681026_6026_UN,FC2=C1C=CC=CC1=CC=C2[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,CNKQMILAYOVDDS-UHFFFAOYSA-N
-DA0D2B17D8E4CA0A_2C1804D61A0090E8_7013_UN,CC[N]2C1=CC=CC=C1N=C2[C@@H]3CCO[C@H]3C4=NC=C[N]4C,BOGGJIWONNFUNU-IUODEOHRSA-N
-DB40C222266EB108_E790E70156EC42AE_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=C(C=C3)N4CCOCC4,BOMYYXKMRXCHOJ-UHFFFAOYSA-N
-DBC5DAED6550C7D7_293AC8D92F38AD18_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCCC2CC3=CC=CC=C3,GGZCAOQLCSONNM-UHFFFAOYSA-N
-DC25A611C5B85A6E_3527F6F7E8D1CA9A_6041_UN,CC3=CC1=C(N=CN=C1NC2=CC(=C(N(C)C)C=C2)C)S3,IMRBDTJFQBFRID-UHFFFAOYSA-N
-DEEB908E0A64913E_9ACF0611DDDF9D67_6028_UN,N(CCC1=CCCCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,BGBMCYVGIHNHJV-UHFFFAOYSA-N
-DFDA0F94637004D7_E7FB14B7E996F86A_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2C(CCCC2)C3=CC=CC=C3,LKTOSTLFNDUYRK-UHFFFAOYSA-N
-E14C5214EC930D43_FF421166A13E5350_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,DJQIDDPXGUAAPK-UHFFFAOYSA-N
-E1669FB08A2C5F75_10D39A5C430D5DDD_6041_UN,CC1=NC(=CC(=C1)NC2C(C)COC3=C2C=CC=C3)C,RVRVIIUGZFDDDN-UHFFFAOYSA-N
-E298EF58D241463A_34ABEEF9257E1696_6041_UN,C1(=NOC(=N1)C2=CSC=C2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,FOARYQKZBPSHRP-UHFFFAOYSA-N
-E3AFD8AFEFA18D9C_0885434996944642_6031_DP,CC(C)C(F)(CN)C(=O)OCC[N]1C=CC(=N1)[N](=O)=O,OBZRBTRAZFCZPN-UHFFFAOYSA-N
-E3AFD8AFEFA18D9C_3B6C8A1B1791BC18_6031_UN,CC(C)C(F)(CN)C(=O)OCC[N]1C=CC(=N1)[N](=O)=O,OBZRBTRAZFCZPN-UHFFFAOYSA-N
-E3DA9E68AA9D8753_09A60993BF307700_6038_UN,CCOC(=O)C(=CC#N)OC(=O)CC1=CC=C(S1)[S](=O)(=O)Cl,FYFADZMWALGOIU-UHFFFAOYSA-N
-E3F08E93F7209175_50580F14CDEFF9C6_6041_UN,CC1=NOC2=C1C=NC(=C2)NCC3=C(N(C)C)[N](N=C3C)C,HDAPYZBXMUIDFJ-UHFFFAOYSA-N
-E3F5D5906659D723_AFB8ACF21CEC90D2_6038_UN,N(C1CC(N(C1)O)=O)C(C2=C(C)[N](N=N2)C3=CC=C(C=C3)F)=O,XQSYECQAGJGHFL-UHFFFAOYSA-N
-E56F60A301E5D9CA_5E60883A603979CD_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2(COCC2)C#N)C=CC=C3,NJPQNAFOMPPWPP-UHFFFAOYSA-N
-E5F73586AD0813D9_4D97DB57F55D4B4B_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,FDZZEVYBONWNKO-AMIZOPFISA-N
-E6C5EADC68917B23_58210550074CFD14_6029_UN,C1CN(CCN1[S](C2=CN=C(OC(F)F)C=C2)(=O)=O)C3=CC4=C(C=C3)OC=C4,STTDUUQHDXVHDZ-UHFFFAOYSA-N
-E799C620CA4B980E_4AD47225864A5BB2_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC(CCC)C3=NN=N[NH]3,ZPRAOSWOEBWEKN-UHFFFAOYSA-N
-E7EDCC94649A96C0_BE94854C10AD49E3_6041_UN,CC1=C(C3=C(C(=C1)NC2(CC2(C)C)C#N)C=CC=N3)C,DMMCZFYNFRGPSR-UHFFFAOYSA-N
-EB855727B4A4A01F_0BF6BA81DAE35060_6038_UN,N(C1CC(N(C1)O)=O)C(C2=N[N](C(=N2)C)C3=CC=C(C=C3)F)=O,XBLMMDRJSLQBGK-UHFFFAOYSA-N
-EBFBC77DEE0D9CD4_E5393B81B388F2BC_6041_UN,CN(C)C1=NC=NC(=C1)NC2CCOC3=C2C=C(C=C3)F,NNGCOHAXFFBPKX-UHFFFAOYSA-N
-EFB06DDC927844D5_17621CD53928A316_6041_UN,CC4=NC1=C(C=CN=C1NC2CCN(C)C3(C2)CC3)[N]4C,CXDSDKQTNDKHBQ-UHFFFAOYSA-N
-F067F0B891106E9A_56D5951C23472A81_6041_UN,CC1=NC(=C(C(=N1)C)C)NC(C)C2=CC3=C(C=C2)OCCC3,ZNOGRGOQLBXUHY-UHFFFAOYSA-N
-F1D8FD6C7FA56785_EDB8ECA50C236E9D_6041_UN,CC1=NC4=C(C(=C1)NC2CCOC(C2)C3=CC=NC=C3)C=CC=C4C,OLLVPTDECMNGDB-UHFFFAOYSA-N
-F25B115FF657C17C_AFDA3C42EDB16A7B_6034_UN,O=C1N(C(=NC2=C1C=CC=C2)C3=CSC=C3)CC4=NN=C([N]4C)C5CC5,DTRPPEXDKIKNAB-UHFFFAOYSA-N
-F38076355ACCE18B_17323AE7E3272D75_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2C(C)OC3=C(C=CC=C23)F)C=CC=C4,CKCBTJMKVFKTBU-UHFFFAOYSA-N
-F51D09B92E5802FE_01575FA4044E9849_6041_UN,C1(=NSC2=C1C=CN=C2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,JJAVMMXIKWJYIA-UHFFFAOYSA-N
-F54BFA6C9A417ACC_B143699DB8DBD644_6041_UN,CN(C)C1=NC(=NC(=C1)C)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,VDBOLDWEYFLSBD-AWEZNQCLSA-N
-F688FE366D23CAD7_ECDCF028E4E2EB59_6041_UN,CC1=NC4=C(C(=C1)NC2CCOC(C2)C3=CN=CC=C3)C=CC=C4C,FRBYJBJBFAZAMT-UHFFFAOYSA-N
-F9FC57FA91CE029B_0F4F62BF772589B9_6039_UN,CCOC(=O)CC1=CC(=C(C=C1)OCCC[S](O)(=O)=O)F,GMHICZIDBWHWNL-UHFFFAOYSA-N
-FCFEE50D88C28A9F_40E5008AC7B43BBD_6034_UN,O=C1N(C(=NC2=C1C=CC=C2)C3=CC=CS3)CC4=NN=C([N]4C)C5CC5,XLBGGCSXYYTQLE-UHFFFAOYSA-N
-FE955812E1E70C5E_E1800D70EAE57F1C_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,JSKVFYRLCKAEHD-UHFFFAOYSA-N
-FFEB9E6AADE5D658_71DAF725FFFF19F5_6041_UN,C2(=CC1=NSN=C1C=C2)N[C@H]4[C@H](C3=C(C)[N](N=C3)C)C4,FIIRIKYRFFDUDZ-GXFFZTMASA-N
-00303E5C52A4BDBA_6033639127858DB5_6041_UN,O=[N](=O)C1=C(N=C(C=C1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)C#N,GJAHOXRBVDGMBU-GFCCVEGCSA-N
-03FC52F3C2A14943_62EC6628BEFDED3D_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NC4=CN(C)C(C=C4)=O,UKDLEHWLRVTGQF-UHFFFAOYSA-N
-04B1FAA0A6A01EDB_C2EAA3EFA6A3A683_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3ON=C(C)C3)=O,RAPLVXYKWDKODK-UEWDXFNNSA-N
-05BF0B7E505C182F_78C7D5263B0678C3_6041_UN,C1(=NC2=C(C=C1)C(=O)CC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,VIIPPXLJLWPCPV-HNNXBMFYSA-N
-0660B7F63F232279_38B77F18B8E4505A_6034_UN,CC1=C(C3=C(N1CC2=CC=CC(=C2)C(C)=O)C=CC=C3)C4CCNCC4,KGKWYXZITZDSTP-UHFFFAOYSA-N
-06849831BE64D2BB_E7FA3E7E5ADF931A_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,NCMSAAXCUXINOQ-UHFFFAOYSA-N
-0777E09B027689DA_75093D16A70682C5_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FTNPHCCXQYQWGN-UHFFFAOYSA-N
-0822F4E36118AF0B_BA77FC9E9DCF1F45_6038_UN,CC(C)C(NC(C1=C(OCCN(C)C)C=CC=C1)=O)C2=N[NH]N=N2,UQXBSNQQRYQMND-UHFFFAOYSA-N
-0B85668E4D7D224A_6361C5EE0294B236_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=CO3)Cl,KTVBCUKCBDTTNI-UHFFFAOYSA-N
-0E5B4BEF7105F845_6D9E4140E5A274B0_6034_UN,CC1=CC(=O)N(C(=N1)N2CCC(CC2)N)CC3=CC4=C(C(=C3)Br)C=CC=C4,GNUPSHXNKRQQDG-UHFFFAOYSA-N
-0EA1236986418793_450511634622D4F1_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3C)Cl)(=O)=O,DRCRUPRGIPMUIU-GASCZTMLSA-N
-0EF394364685016B_A6098FF2373E26EC_6029_UN,C(CC1=CC=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,DPWBYJJTGWULEF-UHFFFAOYSA-N
-0F5D07F1577CAA42_31B917DD8B8BE64A_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3C)C)(=O)=O,PXRNVHIOULKHMS-ROUUACIJSA-N
-0F8D475933BF766B_BCC46DD26D22E8DA_6028_UN,C1CN(CCN1[S](C2=CC(=CS2)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BYDXDXXNTBWLLC-UHFFFAOYSA-N
-10125DA5A3E479CE_4318F7FA40C5D665_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)N=NC=C3)=O,MLKMELUEFVQYEK-OAHLLOKOSA-N
-10C2B435326BF751_9E42CEF2CE228D17_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,XUUSDKMSDVJCOW-UHFFFAOYSA-N
-15DB22B484C17FA3_DB478AC27A6C44BF_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,IXXCZRGLPZHYHE-UHFFFAOYSA-N
-16ED0EA1A1B106BD_A5F6CB92A7D573DE_6028_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,AKILEUOJKJEKDO-UHFFFAOYSA-N
-17443E8BA2F53EB7_95AD055D9013FE9F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=CC4=C3[N](C)C=N4)=O,BDVZFJSZZBZJAP-OAHLLOKOSA-N
-17DE5501806E6183_38D028740F33CC05_6027_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O)C=CC=C4,OCDVTNOYKJTUQW-UHFFFAOYSA-N
-17DE5501806E6183_38D028740F33CC05_7015_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O)C=CC=C4,OCDVTNOYKJTUQW-UHFFFAOYSA-N
-181E34F90A520F1F_0BE3FB8A639FF25F_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,YZRVHMIHEPHEDU-UHFFFAOYSA-N
-186709C2168E1A62_567388567DD31784_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=CC3=C([N](C)C=N3)N=C4)=O,ZWEKTNCCLREPRX-OAHLLOKOSA-N
-195FB7B06BA2FCD2_3A717A145B701AA8_6027_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=C(CC)C=CC=C3)(=O)=O,CWDCIXFRQBZMBI-UHFFFAOYSA-N
-19B3E2F39B7CB891_F1A3BFC40D9EEBBF_6041_UN,C1(=C(C=CS1)C2CC2)NC3=CC(=C(C(C)=O)C(=C3)C)C,MNYAUKPXCSDOGL-UHFFFAOYSA-N
-19C1F9BF5BE8AE97_C684C3B95B1A3E95_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(=CC2=CC=C(OC)C=C2)C#N)=O,ZAPBEWKYYNSYNU-ZDUSSCGKSA-N
-1B5465BBFF283528_CBD241BB2F4E2A8B_6029_UN,CC1=CC=C(C=C1)C4CCC(N[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)CC4,VJBGFFGSYIFYIF-UHFFFAOYSA-N
-1B8A731D27095F18_BEC873F6A85A87FB_6034_UN,BrC1=CC2=C(N=C1)N(C=C2C3CC3)C4=C(C)C(OC4)=O,MCXZVPWQTWZMMF-UHFFFAOYSA-N
-1DE4D314D79EA38A_11BF80FAB3460254_6034_UN,O=C1N=C(C=CN1CC2=C(N(C)C)C=C(C=C2)Br)C3CC3,SYQIKSFXXVEHBZ-UHFFFAOYSA-N
-1E2A564C581D78B4_B8B23002FF9EB457_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3C)C)(=O)=O,CZEXTVYJTZDZQP-CALCHBBNSA-N
-212D0B1A5B04DC77_CEA46C28313A00DA_7015_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=CSC=N3,LFOJOKYLGXVMNP-UHFFFAOYSA-N
-21B153A5A83C9109_10AF041BF5A776C0_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CN=C(C)C=N3)=O,ILNWAWKRGNYAAK-AWEZNQCLSA-N
-22CABC2D176470A1_6F7284F40282BB17_6028_UN,ClC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,YUWMSDRAALYCHX-UHFFFAOYSA-N
-22CABC2D176470A1_793C2E730A87D097_6029_UN,ClC2=C1CN(CCC1=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,YUWMSDRAALYCHX-UHFFFAOYSA-N
-22E00D5F3F502AA1_B64B10256F9E4876_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=NC=CC(=C2)C)(=O)=O)CC3,KOFVUZDBLPFRCT-UHFFFAOYSA-N
-22FB26415F8ADB2D_DB8C55FB4B4C2870_7013_UN,N1=C(C(C(C)C)C(C)C)[N](C2=C1C=C(C=C2)Cl)C3CC3,NMDZRGDDLRDULG-UHFFFAOYSA-N
-238B497A2FCA0276_3FEBD7B571650538_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,QECASFDUOSAPMD-UHFFFAOYSA-N
-24C49A66477B8F2E_7CB9263FEBB1C408_6029_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=C(C(C)(C)C)C=CN=C3)(=O)=O)C=CC=C4,WIVZGJIXLREBFV-UHFFFAOYSA-N
-26103122063C9932_7F1C20705125B193_6028_UN,C1CC(=CCN1[S](C2=C(C=C(C=C2)Cl)C#N)(=O)=O)C3=NC=CS3,CWJOWYHPRXHTJY-UHFFFAOYSA-N
-2686F2F8D58C2914_B8EE03DB52C266E4_6027_UN,C1CN(CCN1[S](C2=CC(=C(C)C(=C2)Cl)Cl)(=O)=O)C3=NN=CC=N3,CQJQMTFKDYCUHW-UHFFFAOYSA-N
-26992B81E932E11C_F77393392687D92D_6038_UN,CC(C)C(NC(C1=C(N(C)C)C=CC=N1)=O)C2=N[NH]N=N2,NJLCGAHOMFLFPS-UHFFFAOYSA-N
-27C8AD9FC97D95AC_4173ACAC8247A6DD_6029_UN,COC1=CC2=C(C=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HICYBJLOFBUYRE-UHFFFAOYSA-N
-27C8AD9FC97D95AC_7C09FB81CA84C437_6027_UN,COC1=CC2=C(C=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HICYBJLOFBUYRE-UHFFFAOYSA-N
-27C8AD9FC97D95AC_7C09FB81CA84C437_7015_UN,COC1=CC2=C(C=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HICYBJLOFBUYRE-UHFFFAOYSA-N
-27F89DBD91E454B0_37ADADD43AA24AA0_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=C(CC(C)(C)CC2)C#N,UPJFEMLLEYNADM-UHFFFAOYSA-N
-290997A225F447C7_29B97CAA024BB18C_7022_UN,COC1=CC(=C(C=C1)Cl)OC3CN=C2N(C=C(C)C=C2)C3,IFAHDUKUORVCGV-UHFFFAOYSA-N
-298E8A82719A4BEA_36F3EF62C2A460B4_6029_UN,C1CN(CCN1[S](C2=C(C(=CC(=N2)C)C)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FEFGUWYLDIHAPM-UHFFFAOYSA-N
-29DE54A3A6E0A873_E8336B3742854E2B_6035_DP,N2CCC(OC1=CC=C([S](C)(=O)=O)C=C1)(CC2)C(Cl)(Cl)Cl,SSAMVLVEHKCMKR-UHFFFAOYSA-N
-2A06A35122C01A62_6EE3F08AD20C54B6_6028_UN,N(CCC1CCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,RFUCMMFJKCGPME-UHFFFAOYSA-N
-2A3E4AFB00B7D5EE_3170A41CC657B083_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,LLFQYHHEPCNXSI-UHFFFAOYSA-N
-2BF120C7F650136D_DFBB2579D842B86C_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC4=C(C=C3OCOC3=C4)Br,KJWDOKBVPUQOCB-UHFFFAOYSA-N
-2CC7DAABDB98B065_FF426E6FDEBDE0A3_6006_UN,CCC(=O)C2=C1OCCC1=CC(=C2)C3=CN=C(N(C)C)N=C3,ZGJRUJDKVNFYQS-UHFFFAOYSA-N
-2E204789827A40A5_496F7CCC35526DB9_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,MCJNHGSUSMEMJX-UHFFFAOYSA-N
-3127A2D042209CCE_5BE5715C4BC13278_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC(C)(C)CC(F)(F)F,FKAYLKFKVKBLTG-UHFFFAOYSA-N
-3256468B61D8D9CB_E5227AAFBC8141AE_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=NN=C(N(C)C)C=C3)=O,BKMBXQBDAHVSGD-CQSZACIVSA-N
-3364535DB13B4F3E_0043032CF26D6D83_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,DKNYSMUEAHVKLK-UHFFFAOYSA-N
-34AAE1CA8EB286A9_AD1C6F1BA164C6A4_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,FIFRZFLMOMYKNV-SHTZXODSSA-N
-358955509F51C5AA_163EBFED734576F6_6041_UN,C1(=NC(=CC=C1)C2CC2)NC3=C(C(C)=O)C(=CC=C3)C,QLCJTFJEGWPWMZ-UHFFFAOYSA-N
-358955509F51C5AA_6618778C81C7FD74_6041_UN,C1(=NC(=CC=C1)C2CC2)NC3=C(C(C)=O)C(=CC=C3)C,QLCJTFJEGWPWMZ-UHFFFAOYSA-N
-359174589F46E7D0_869774D4D7193346_6028_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,RGKYRCZQJQTBMD-UHFFFAOYSA-N
-3699326CDBA5F2A2_907BAC06A4633752_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=C(C=C(C)C=C3)C)(=O)=O,ATPXZZROIXMKDF-UHFFFAOYSA-N
-37B713C086C832ED_482E26A83EA306EF_6038_UN,CC(NC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=N[NH]N=N2,BBHQZGGJLMPRLQ-UHFFFAOYSA-N
-38CCA8271059E068_2BFE7ADA84FAE164_6028_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,FIFRZFLMOMYKNV-GASCZTMLSA-N
-3A3E357E23A57033_8524B040F3D4EACB_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4ON=C(C)C4)=O,BXFNTGRMSQHNND-UHFFFAOYSA-N
-3A7BB7C60458F007_3780B986E46F9C7D_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CCC(CC)(C)CC3,GUVHNXVQRMBVEY-UHFFFAOYSA-N
-3B914308BF49777C_FAB8D701C3F78589_6029_UN,C1CN(CCN1[S](C3=CC=C(C2(C)CC2(F)F)C=C3)(=O)=O)C4=NC=CC=N4,FEFMPNCOGMYORD-UHFFFAOYSA-N
-40D457B126B506CD_7BE48B04EB1BD5A5_6038_UN,CC1=C(C2=C(N=C1)C=CC=C2)NC(C3CC(C)C4=C(C3)[NH]N=N4)=O,OFLFYNNHRXPMSY-UHFFFAOYSA-N
-4114DEE8A06DB063_77E8C94C51A7743A_6038_UN,COCC(OC(C2=CC1=C(COB1O)C=C2)=O)C[N]3C=NC=N3,QOAJYROZJYZWOJ-UHFFFAOYSA-N
-41194DAAB703334C_576737AC5A8D9D24_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(CCOC)C=C2)(=O)=O,GLZIXTUVDBPDMU-UHFFFAOYSA-N
-42431F332D4D2D2A_5AEC0EABBD352428_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C[N](C)C=N3)=O,KMYMSVJMSYZCFH-CYBMUJFWSA-N
-4519000732566DEF_8F3041A09E88614A_6029_UN,CC2=C1CN(CCC1=CC=C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,IYDBUANMGHAFAL-UHFFFAOYSA-N
-488457CA9DD24D7A_CDBE1177A586B6C1_6029_UN,N(CCC1=CCCCC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,IIJPNCTUGCIQGF-UHFFFAOYSA-N
-48AB869E44D1163F_5EC8822ECACAE696_6029_UN,CCC1=CC=C(C=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,MOFXPOHOFPCHNE-UHFFFAOYSA-N
-48FBA9EAEC28EBE3_F734C80DB486494F_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=C(CC(C)(C)CC2)C#N,ZTIDVQHQLZMZIO-UHFFFAOYSA-N
-4937A6D715844AAC_C81FA2A7986B7396_6041_UN,O=[N](=O)C1=C(C=CN=C1NCC2(ON=C(C(OC)=O)C2)C)C#N,UNJQHGYDXLAXHU-UHFFFAOYSA-N
-4FDD302D5C7C2DFD_EB332DBC44F4DAF5_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(CC)C=C(C=C3)C,DNEMWIGUJCNEMY-UHFFFAOYSA-N
-56551740245F5188_4BBA935E6E73F3F2_6029_UN,N([C@H]1[C@H](CCC1)Cl)[S](C2=CC=C(CCOC)C=C2)(=O)=O,CVJBRFAYUIXEQM-UONOGXRCSA-N
-57243E4A6CFD96E6_0E5B603B9F08018C_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=NN=C(C)C=C3)=O,VTMMYUSRRCEZAF-AWEZNQCLSA-N
-58680EBF8D0D9B79_74463A94D9A0F10E_6027_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YDHHPXOELLXKJZ-UHFFFAOYSA-N
-59BC457E7A7030E4_959C334995F87C1C_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC(CN(C)C)(F)F,ORWOUZTWXQHJFT-UHFFFAOYSA-N
-59D37F064D1C2312_AA13CCA6E4C6A7F0_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(C=C2Cl)C#N)(=O)=O)C3=NC=CC=N3,LQMQOZVEXMHAQZ-UHFFFAOYSA-N
-59EC6D2222621252_DF1453FD64351378_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(CC)C=CC=C3C,SQWIXMLLKCOYOX-UHFFFAOYSA-N
-5B24903D332337AE_CC62115767A0E609_6028_UN,N(CC1CCN(CC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,PTEHYJHMQOHRRP-UHFFFAOYSA-N
-5B50F324EB88279D_17649FE9E23E2AC5_6038_UN,CCOC(=O)C(NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)C2=NN=N[NH]2,OCBXOWKVKQOQFI-UHFFFAOYSA-N
-5C1267CEB117B5D5_3DE7E3475ACAC42B_6038_UN,CCOC1=C(C=C(C=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,ZZDJCWUEAYAXFA-UHFFFAOYSA-N
-5C9197DD45F31129_A2735C1DC38AA9BF_6028_UN,C1CC(=CCN1[S](C2=C(C)C=CC=C2C#N)(=O)=O)C3=NC=CS3,KZNLNYKCIMZJCW-UHFFFAOYSA-N
-5CA0D92129EBC624_0EA9A0F5040769AB_6028_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,HIZYTSVEGIZZEJ-UHFFFAOYSA-N
-5E63E05EB01E850D_B19CBBF9CFFFEBB7_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CCN(C)CC(F)(F)F,KIECZCHNRKZSHO-UHFFFAOYSA-N
-5EEF5AD3CB353B88_9614C260CE7D2A67_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=C(CC)C=C(C=C3)OC)(=O)=O,UHCKRLMTNXRLOU-UHFFFAOYSA-N
-5FD12D9312899BFF_65AAC2FF9B37F7BA_7015_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C)C)(=O)=O)C3=CN=CC=C3,DSZMBMSTCBCPIQ-UHFFFAOYSA-N
-5FD7F18AA6CA0281_556423C6ED1D4C72_6029_UN,C1CN(CCN1[S](C3=C2OCCC2=CC(=C3)F)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,VPBHNEDOWYDGDD-UHFFFAOYSA-N
-60064CBC40094E27_CB53F8527F4F51A7_6038_UN,COCC(NC(C1=C(C)[N](C(=C1)C)CC2=CC=CO2)=O)C3=NN=N[NH]3,RSYOAWQLRVKTHO-UHFFFAOYSA-N
-60A3BE0E2CCA6409_FE50D288C6A6D875_7015_UN,CN2CCC(CCN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,SWOJEIGWUAPUBP-UHFFFAOYSA-N
-618CDBCC0E5177DD_FE34E052FB2103A2_7019_UN,CC3=C(C=CC1=CC=C(C=C1)OC2CC2)C(=O)OC3=O,OFFAQFODBSITJJ-UHFFFAOYSA-N
-63A6313EC40DF7F8_4D4CE754C528C5B4_6028_UN,C1CC(=CCN1[S](C2=CC=CC(=C2F)C#N)(=O)=O)C3=NC=CS3,FUMYCGOXMMILRE-UHFFFAOYSA-N
-63A6313EC40DF7F8_4E60415374B3B4FA_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2F)C#N)(=O)=O)C3=NC=CS3,FUMYCGOXMMILRE-UHFFFAOYSA-N
-64656122521F4071_387B5942F5960BA7_6029_UN,C1CN(CCN1[S](C3=CC=C(C2=C(C=NC(=N2)C)F)C=C3)(=O)=O)C4=NC=CC=N4,KVWQHAPTALIDPP-UHFFFAOYSA-N
-67284F6AD58866AE_FBD2A6F02AC9A1A2_6028_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,PETHVSQEDXLDHS-UHFFFAOYSA-N
-67F2EE57E2D24031_351E9050953EC671_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC4=C3OCC[C@@H]4O)(=O)=O,BNCIVXNPISKTSB-FQEVSTJZSA-N
-69B11C939F38A41A_F83EE8188BFFAAF5_6027_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CC=NC=C3,CAFYESWCYMGJIR-UHFFFAOYSA-N
-69B11C939F38A41A_F83EE8188BFFAAF5_7015_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CC=NC=C3,CAFYESWCYMGJIR-UHFFFAOYSA-N
-6ADA2AD86F18658F_4C48038CF0FCAF05_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)C=C(C=C2)N3CCCC3,YRDLDGQZELDVLN-UHFFFAOYSA-N
-6ADA2AD86F18658F_6B96216C74C53D68_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)C=C(C=C2)N3CCCC3,YRDLDGQZELDVLN-UHFFFAOYSA-N
-6F478B21C0B5A63F_99FD72DEE3CB6DC1_6041_UN,C1(=NC=CC(=C1)[N]2C=CN=C2)NCC(COC)(O)CO,YSALZOWWZSCSJH-UHFFFAOYSA-N
-6FD7FF4CEC95D39D_9E11B8CE06F4677D_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2C)C#N)(=O)=O)C3=NC=CS3,PEJVEHHLFZDJSW-UHFFFAOYSA-N
-70977A763F96C069_D6B17A5E004A1557_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C[N](C(C)C)C=N3)=O,RNJHLKKSIADKBI-HNNXBMFYSA-N
-7452E8C492F6900A_0F5B6BF2F3CE384E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](C)N=C3C4CC4)=O,QUNMBYIYPDULRA-UHFFFAOYSA-N
-74E225F0927FC4A7_879E7C12519B833F_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,BSOMJKAUKJSJKY-UHFFFAOYSA-N
-75AECF09F6546943_C9FE5E5191322E78_6029_DP,OC1CCC(CC1)N[S](C2=CC=C(COC)C=C2)(=O)=O,KXRWCGBKXBLTKJ-UHFFFAOYSA-N
-7708F216F3DAC591_F0AD14BD56499A29_6004_UN,C1(=CC=C(C=C1)C(=O)NC2CC2)C3=C(OC)C=CC(=C3)CO,OPJSCXDMHLDODX-UHFFFAOYSA-N
-7712939D24AA4087_07E9C529956CDFF5_6038_UN,N(C1CC=CC1)C(CC2=C[NH]C3=C(CC)C=CC=C23)=O,PFGNEDMOZFBKRQ-UHFFFAOYSA-N
-7A27573C84FCF40E_847B8883215262FF_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=C(CCC)C=CC=C3)(=O)=O,VYWWKUNQJHQCEW-UHFFFAOYSA-N
-7B026C8D018996FB_DAEF4EDEE569CAF6_6038_UN,CC3CC(NC(=O)C1=CN=C(N=C1)C2=CC=CC=C2)CCN3C,QFLPDITYQQBIOF-UHFFFAOYSA-N
-7B57A73C14BEC7D5_F5B3C25A76AD4674_6041_UN,CC2=C(C(=C1C=C(C=CC1=N2)F)NC3=C(C)C=C(C=C3)SC4CCCCC4)C,LPJJGAXSLBGFMY-UHFFFAOYSA-N
-7F95D6503E2C81B6_45365159C10CC052_6041_UN,O=[N](=O)C1=CN=C([NH]1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,LLTJZROQMWAIBZ-SNVBAGLBSA-N
-800FBB9476D12D06_0D8FF4815CE8B90A_6041_UN,C1(=C(C=CC=C1)C2=NNC(=O)C2)N[C@H]3[C@H](OC)COCC3,BCZNOBMXJGBLCF-TZMCWYRMSA-N
-8080D5AD01FED337_1A2357B8756F4784_7013_UN,CC(=O)[N]2C1=CC=C(C=C1N=C2[C@@H]3CCO[C@H]3C4=NC=C[N]4C)C,MZCXBLZYAWYFTM-CZUORRHYSA-N
-844237FA8629CE5C_0F188648F5265188_6028_UN,C1CC(=CCN1[S](C2=C(C(=CC=C2)Cl)C#N)(=O)=O)C3=NC=CS3,VZUUALVJZBSWAY-UHFFFAOYSA-N
-8460D29B2CE630D2_24485EC7A1195FCA_6038_DP,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=CC(=NC=C3)N4CCNCC4)=O,NWQNDXMWMMPGPO-UHFFFAOYSA-N
-85779387237544B6_9601CA6ED80ABF4D_6029_UN,N(CC1CC(C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,HJLBHKPZEZGQHC-UHFFFAOYSA-N
-87CAE9AD82D29E0B_89BC3337FE0311A0_6041_UN,C1(=CC=C(S1)C2CC2)NC3=CC(=C(C(C)=O)C(=C3)C)C,GKVUXOPNRAVJIF-UHFFFAOYSA-N
-87F4DAE21CB7DDCA_28C3228779F19F14_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,GGBGKVCSUHJVGD-UHFFFAOYSA-N
-8872274EE23A477D_B5C43ED0DDF81C76_6041_UN,CC1=CC(=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3)N=C=O,WKUDNKMWJOFGTN-UHFFFAOYSA-N
-88C4D9883AE77819_CB9F3926A58151D7_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4=CC=C([S](N3CCN(CC)CC3)(=O)=O)C=C4,RPNOWVQCRSUXMM-UHFFFAOYSA-N
-88D7A9008388E333_DE3BEC11B37F02A6_6041_UN,C1(=NC(=CC=C1)C2CC2)NC3=CC(=C(C(C)=O)C=C3)C,GSVQRAYHMJZAOQ-UHFFFAOYSA-N
-8953D634AF1D2103_D331EBB2EF461BD5_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,VFNOYWZIFFOUBA-MYJWUSKBSA-N
-8A42D5FE8916A09A_F177A4D79D114120_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,CZMSVFVUKWPZBW-UHFFFAOYSA-N
-8B424F01B9CDA6AB_E124C68E8FEF20B9_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=C(N=CC=N3)Cl)C=C4,XMBKDJZYDNKZMN-UHFFFAOYSA-N
-8BE69B0D10080317_B2B2C7BF97DE8396_6043_UN,C1(=CC(=CC=C1)C2CCCCC2)N[S](C3=CC=C(CC)C=C3)(=O)=O,WFRITEXAMOLWRU-UHFFFAOYSA-N
-8BFEE44BD109E754_577840FC7B17BD09_6028_UN,N(CC1=CCCCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,RKJGWQXRSRJAHV-UHFFFAOYSA-N
-8E72BA35EC3CCF2A_761E4F08B23953A8_6034_UN,CC1=CC(=O)N(C(=N1)N2CCC(CC2)N)CC4=C3C=CC=CC3=C(C=C4)Cl,QZPXPDIWADKSQI-UHFFFAOYSA-N
-902F984EBA364B4F_86D5C749839A1A24_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,ZSDINYSQKSUIDV-UHFFFAOYSA-N
-9250EE990075F314_D7BCAFD73AFF712C_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4N=CN(C)C4)=O,SJDLDSYTZYCUJT-UHFFFAOYSA-N
-928C34A6C11E282F_5868CA2A71672853_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,WAJLGEOIFMRAOQ-UHFFFAOYSA-N
-92CAC9425CFECF74_EAC8E69457C8485C_6041_UN,CC(=O)C1=CN=C([N]1C)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,USUXNQATEOMCSR-ZDUSSCGKSA-N
-93684191FE5F6532_64E1A1C359BEB554_6034_UN,ClC1=NC3=C(C(=N1)NC2=CC=CC=C2)N(C=N3)CC4CN(C)C(C4)=O,JFWGYOBTNQERSB-UHFFFAOYSA-N
-9750F2E14D478FD9_971B4D063A77B138_6029_UN,CC1=CC=C(C=C1)OC2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,XBIDEALZVMGTDP-UHFFFAOYSA-N
-986C3968D1196B8B_0EF444164064C711_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(N(C)C)C=N3)=O,NCOBRLAOKSIKTJ-UHFFFAOYSA-N
-98E6A980C3215FC6_1CB25DD1D6993AAA_6028_UN,C1CC(=CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)C3=NC=CS3,CQMKJJQFVKTNLF-UHFFFAOYSA-N
-98E6A980C3215FC6_230B7202D00B8A0D_6029_UN,C1CC(=CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)C3=NC=CS3,CQMKJJQFVKTNLF-UHFFFAOYSA-N
-9B9D6F056B0E7191_A11B0EEC3698C491_6028_UN,N(CC1(CCC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,BDWGAJKGQGNJKW-UHFFFAOYSA-N
-9D52AA371D1D91B9_ABE533E2487C6EED_6029_UN,BrC1=CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,LCICRANSANBUHN-UHFFFAOYSA-N
-9F193BA24019787E_08F3919361EA45C3_6038_UN,CCCC(NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)C2=NN=N[NH]2,GSLGNKIKRRFAIW-UHFFFAOYSA-N
-A0060D373FABE961_88B5CD4406EE8B98_6029_UN,COC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,QRLLEHHBQFUXFV-UHFFFAOYSA-N
-A0C868E615D1ECDB_A8DB9D7D5FB8D5D3_7019_UN,OC3CCC(C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)CC3,YYFMRSBYLRCCIR-UHFFFAOYSA-N
-A268AD3029808FBE_4F114FFC1A98EC80_7019_UN,CC3=C(C=CC1=CC(=CC=C1)OC2CC2)C(=O)OC3=O,WQTYZGFFUVFXIT-UHFFFAOYSA-N
-A28D8DABBEDC74AF_8F46038C5B756A48_6038_UN,N(C1=CN=C(N=C1)C2=CC=CC=C2)C([C@@H]3C[C@H]3OC)=O,SFOLUKGXHHPKAP-CHWSQXEVSA-N
-A2B449EF849CF045_42504550DF736999_7019_DP,N3CCC(C=CC2=CC=C(C1=CC(=CC(=C1)C)C)C=C2)C3,XLWJLOJFPGORDD-UHFFFAOYSA-N
-A56C8979BDDC5FF3_4DCC143B1ED52064_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(CCOC)C=C3)(=O)=O,KBNORNUIPCWEIX-UHFFFAOYSA-N
-A5FE88CA2ED038DB_51B8E31F9B62E573_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VILSGQQCGALKQF-UHFFFAOYSA-N
-A6089FE4FF673401_91FA3BC6B75E0266_6028_UN,CCC2CCC(CN[S](C1=CC=C(COC)C=C1)(=O)=O)CC2,RVWKKWXTMXDBEB-UHFFFAOYSA-N
-A732C1C4BB83556D_91B6557E6EA97B85_6034_UN,FC1=CC=C(C=C1)C2=CN(C(=N2)C3CCCN3)C4=C(C)C(OC4)=O,IGZAEZZZLHGBFZ-UHFFFAOYSA-N
-AAA56A29AACC2251_39D477E8A0E8FA69_6029_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,ZQBMPGRPSBMJSK-SHTZXODSSA-N
-AAF3923A120814B3_8C1DB6E486A03127_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C(=C2)F)C#N)(=O)=O)C3=NN=CC=N3,WVVWSKIYLUNGEF-UHFFFAOYSA-N
-ACACA3CCF188E519_8ADEAD6411C08486_6028_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,DKTZJMCQJBKYOH-UHFFFAOYSA-N
-ACACA3CCF188E519_F5D34332D9400C1F_6029_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,DKTZJMCQJBKYOH-UHFFFAOYSA-N
-ADE45D19A89AFED7_A2F55D05F0EFB379_6028_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,QXPVCEKOOSTQPT-HOTGVXAUSA-N
-B0DDB0E13DC39B08_0DB56A56138187AA_6028_UN,CC2=CCC(N[S](C1=CC=C(COC)C=C1)(=O)=O)CC2,OWEWJSMIMBDKAL-UHFFFAOYSA-N
-B0F060DFC25EC518_C5572572D1AD607E_6038_UN,N(C1C2=C(OCCC1)C=CC(=C2)F)C(C3=CN=C(N(C)C)C=N3)=O,HSXKUVRIRDQLBI-UHFFFAOYSA-N
-B196D4FAEA1042FE_FEBBAEB4B0B774A8_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=NN=CC(=C3)C)=O,BJZNWPMITPMECM-CQSZACIVSA-N
-B1CF53CC9C49CA2C_21790C17AF446BA6_6029_UN,N(CCC1CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,JCEASBXWLAKUSA-UHFFFAOYSA-N
-B3E110637DC100F1_BDB0CD7899B5F670_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C(C)C=N3)=O,ILNWAWKRGNYAAK-CQSZACIVSA-N
-B5B818D7E1AED89E_AD703B74EC2D8461_6038_UN,CSCC[C@H](NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)C2=N[NH]N=N2,AHIVDQCKWIJUAW-NSHDSACASA-N
-B64274E8D71B9962_610FABAC958A1F8E_6038_UN,COCC(NC(C2ON=C(C1=C(C=CC(=C1)C)C)C2)=O)C3=NN=N[NH]3,XUJHHGZFAJANAY-UHFFFAOYSA-N
-B729AB79CF68D4F8_9F7E0A33FFB9EAE7_6038_UN,CCOC1=C(C=CC(=C1)NC(=O)C3=CN2C(=NCC2)C=C3)OC,BQMCBAIDUDLTTK-UHFFFAOYSA-N
-B755D3A1AFECC59F_E22BF525E7637A7A_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,UNNBBHNJCRKCEK-UHFFFAOYSA-N
-B784117BBB42E1B8_15CAADE3C1D3E65F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C)C=CC(=C4)N5CCC[S]5(=O)=O,ZQYKXXMOSRSJPT-UHFFFAOYSA-N
-B94D99A6818CB15D_7C13168433BE759D_6029_UN,N(CC1CCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,VCOYXQGLHRIXSI-UHFFFAOYSA-N
-B9B6FCE80B454B46_86CF579BAA829FFF_6038_UN,N(C1=C(C(=CC=C1F)Br)F)C(C2=N[NH]C(=C2)CCCCC)=O,SXXADJABRLTNLI-UHFFFAOYSA-N
-B9F5B339E066960A_E15DEEEF94D86AF5_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(OC)C=C3)O)(=O)=O,VCZYDNIMYZGHIK-UHFFFAOYSA-N
-BB590836535D0B68_C3E0B4C8B535406B_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,KRSVNBSMMSWJNL-UHFFFAOYSA-N
-BBAAAE99D8A2B947_9EE2063A6FAB9B0E_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C2=NC(=NO2)COC3=CC=CC=C3,LHUJSDYWBQKXQW-UHFFFAOYSA-N
-BC15A91FAB1FD9D5_7F829923002D4EDC_6028_UN,C1CN(CCN1[S](C2=NC=C[N]2C3=C(C)C(=CC=C3)Cl)(=O)=O)C4=NN=CC=N4,GVDVWNVYSHWXNP-UHFFFAOYSA-N
-BFC0A3338EAEB18C_57EA3AB8A05FB81A_6038_UN,CC(C)C(NC(C1=CC=C(OCCN(C)C)C=C1)=O)C2=N[NH]N=N2,QZDFHWHOJICTCZ-UHFFFAOYSA-N
-C0608A3DAF8FACB6_5D2052EA56DC5965_6028_UN,CCC2CCC(N[S](C1=CC=C(COC)C=C1)(=O)=O)CC2,NZXWEQBWOXTCHG-UHFFFAOYSA-N
-C0A20626CD5BA75E_AA43F79FA2200F7B_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)F)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VUJQJRWWNLFSHP-UHFFFAOYSA-N
-C301EFACBD5B31C4_7D2AC232F5387062_6041_UN,CC1=C(C3=C(C(=C1)NC2C(C)COC2=O)C=CC=N3)C,AZYDKQLXDADWSS-UHFFFAOYSA-N
-C37C9B1CF679976F_BD6E690122C02CF0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C([Si](C)(C)C)C=C2)=O,FRRCHNUVPRKYKY-ZDUSSCGKSA-N
-C44A44FBD4E809E2_B8DAFB911D3111FA_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=N[N](C)C=C3)=O,LINGUCKUNTZDLF-CYBMUJFWSA-N
-C47A8987D5E35372_EE206361D335F2AE_6035_UN,CC1=CC(=CC(=O)N1C2CC2)OC3=C(CCOC)C=CC=C3,GXGVQSWAGQGTPF-UHFFFAOYSA-N
-C573DB03C85720D9_516CB69F07119639_6028_UN,N(CCC1=CCCCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,BDCKTYQCEPVQQQ-UHFFFAOYSA-N
-C63F5576502F53A2_E9F28EF41612EEAC_6038_UN,CCC(OC(=O)CC1CC(C1)C2=CC=CC=C2)COC,JFWILQCBUQJGKV-UHFFFAOYSA-N
-C79EDE2F58D8CA71_B4DA8EC6F22ADCBA_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O)C=CC=C4,MXDVDAVLESXFRM-UHFFFAOYSA-N
-C899F445DFB02FEE_5A1A78D3D2166352_6027_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,DMCKVNWPQJKVLO-UHFFFAOYSA-N
-C899F445DFB02FEE_5A1A78D3D2166352_7015_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,DMCKVNWPQJKVLO-UHFFFAOYSA-N
-CC9924C4614E9785_E5E755C7B8EBBDC9_6029_UN,N(CC1CCC2=C(CC1)C=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,OQPZTAPXCOJYPD-UHFFFAOYSA-N
-CD1508D9CC22C469_6438727A1EB16B6B_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)N=CC=N3)=O,CUXKNNYQQYNLNP-CQSZACIVSA-N
-CD6D18EE90DF543F_443F67D0A72D38BC_6028_UN,N(CC1CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,XDXBROBYEKELOQ-UHFFFAOYSA-N
-CF268B7150F89D0A_37A00252F64464B1_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=N[N]3C4=C(C=C(C)C=C4)C)(=O)=O,VHUJCUGLUMLLMN-UHFFFAOYSA-N
-CF8BEB68093F3B8F_E9ED315F8E4EE444_6041_UN,CC(=O)C1=C(C=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,PJOFMWDHHDVBGS-AWEZNQCLSA-N
-D0A0A699CCEB0A12_3C74C4F7B887C951_6028_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,DSORCUSSWPFJEI-UHFFFAOYSA-N
-D0A0A699CCEB0A12_8102636FD6E80DCD_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,DSORCUSSWPFJEI-UHFFFAOYSA-N
-D0BC01291E7B698E_A6E8CE033F25880D_6038_UN,CC(C)CC(NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)C2=NN=N[NH]2,DDBBAGAQFWFWRB-UHFFFAOYSA-N
-D32131D19C7BDF3A_74A45EAD37B6B43A_6038_UN,C[C@H](NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=CC=N[N]2C,OFCAEIOFKDFWKP-VIFPVBQESA-N
-D35CFA73BDA2A0FE_C2652E86A3AE6870_6029_UN,C1CN(CCN1[S](C2=C(N=CC(=C2)C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BLCOWOORCYNVSK-UHFFFAOYSA-N
-D3E7A1D7B501DE62_ACE89D373FF6E8D0_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,VIVZJXWJQCKWKD-UHFFFAOYSA-N
-D3FEF5546CB02EEC_4C68FBBDE491C1D5_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(=O)C4=CC=CN(C3CC3)C4=O,JPVMIQYVMVXISL-KRWDZBQOSA-N
-D5B310BCC88C51CA_BC4761CDD39392E1_6028_UN,N([C@H]1[C@H](CCC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,UBGHHTSHWWPODQ-HZPDHXFCSA-N
-D5C109958FE279C0_0A9AD7A723993027_6038_UN,CC(C)CC(NC(C1=CN=C(N(C)C)O1)=O)C2=NN=N[NH]2,YNBCBDAQTYAOSG-UHFFFAOYSA-N
-D67EB8E88B16BAE5_99097E6227743706_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)Cl)(=O)=O,KBJVINHGUQLFGM-UHFFFAOYSA-N
-DAD252054884B8E9_F6231F70A933571E_6029_UN,N(CC1CCC=CCC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,YJRXEZYPNHWFNF-UHFFFAOYSA-N
-DBCD10AF66B361B4_C4FACDF7AD4E2391_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(C=CC(=N3)C)C)(=O)=O,WGFZLNBJYSYIHR-UHFFFAOYSA-N
-DD359D7034BAD1ED_8D773175F7BE8FB3_6028_UN,N(CC1(CC1)C2CCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,PZHNFSRJVKESKQ-UHFFFAOYSA-N
-DDD586AF763CBB62_9566DC0502708D27_6029_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,PFTVAWCOMPBAQO-SHTZXODSSA-N
-DF237F836924D516_4D5E8E2381096F10_6029_UN,C1C=C(CN1[S](C2=C(F)C=CC(=C2)C#C)(=O)=O)C3=NC=CC=C3,IBNBHBHNGXABQW-UHFFFAOYSA-N
-DFF559FF02226B0A_5B7C64FEF01EF013_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4N(C)CSC4)=O,UXIPJHMDXIFHHP-UHFFFAOYSA-N
-E0B2A76E1C2E5DEB_190D65D76B884D84_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC=C(OC)C=C3)(=O)=O,IRZSJQUGMUUDCN-UHFFFAOYSA-N
-E214738754559C87_F8A8CCE3A679F9E7_6028_UN,N(C(C1CCCCC1)C2=CN=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,NABCXHKRYZMTGP-UHFFFAOYSA-N
-E4A8DC712FD3A5B1_060E6EC00A9CFD8D_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,LRKTUXXVYAOBFR-UHFFFAOYSA-N
-E5CB430E6AF276F5_4B4E1CF528229C5C_6035_UN,CC(C)C1CCC(CC1)C(OC2=CC=[N](C=C2)=O)C3=CC=N[N]3C,UXYCBKQAPOLYJH-UHFFFAOYSA-N
-E691B21CF5D6AB59_97B438B441799D26_6027_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O)C=CC=C4,WDKKKDSFDUGDBB-UHFFFAOYSA-N
-E691B21CF5D6AB59_97B438B441799D26_7015_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O)C=CC=C4,WDKKKDSFDUGDBB-UHFFFAOYSA-N
-E786728B284E9CD6_D71532E0E1DE0B81_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,LWIDGVALGYKHES-UHFFFAOYSA-N
-E89E3FDCF2B8ADFF_D11C48ECA7973E75_6041_UN,FC2=CC(=C1OCOC1=C2)NCC4(C)CN(C3CC3)C4=O,PFMTWNZWRUXSJX-UHFFFAOYSA-N
-E8AFD1981F5F0AC1_4045EFFF35878245_6028_UN,N(CCC1CCCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,BKRSIXXZTRSEDH-UHFFFAOYSA-N
-EA4369F402A6F42F_1A6AECBA41302289_7015_UN,N(C1=CC=C(C=C1)C2CCCC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,ZVHQFGIGTJZAEC-UHFFFAOYSA-N
-EABF05AA280B4EC6_1128120FE098C5EF_6038_UN,CC(C)C(NC(C1=CN=C(OCCN(C)C)C=C1)=O)C2=N[NH]N=N2,LJWNISBXAXDWNO-UHFFFAOYSA-N
-ED290E919FE3B10A_7888C141ED6BFAB7_6028_UN,CC2=CC[C@H](N[S](C1=CC=C(COC)C=C1)(=O)=O)CC2,OWEWJSMIMBDKAL-AWEZNQCLSA-N
-EE185D3A6B45E59F_F1A5FA6CBEE32865_6029_UN,N(CC1CCCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,MAEZXJPNOPSZRZ-UHFFFAOYSA-N
-EE610785AAD06946_C1FAFB01DB836A37_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(CC)C=CC=C3C,DPUUOXJYYHBZJT-UHFFFAOYSA-N
-EEE84762E20C2BD2_A344A958F31A813C_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=NN=C(C)C=C3)=O,VTMMYUSRRCEZAF-CQSZACIVSA-N
-EEFE9AC984344D0F_EBB180A6CFE285F1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3=C(CCC3(C)C)C#N,GPBDTJMJOHCWBZ-UHFFFAOYSA-N
-F016C3656871F387_8B55AE288FA70F5A_6038_UN,CN(C)C(=O)C1=C(C=CC=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,CZZAIBNAJVRKBS-UHFFFAOYSA-N
-F0988A8686575B76_7A5CA4FA86E97BCA_6029_UN,FC1=CC(=CC=C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,ZIBLJYFKSQCSLE-UHFFFAOYSA-N
-F1D74591AECF4894_3E1B849323871701_7013_UN,CC(=O)[N]2C1=CC=C(C=C1N=C2[C@@H]3CCCO[C@H]3C4=NC=C[N]4C)C,QAXFTDFTSKIHTC-RHSMWYFYSA-N
-F46F0553F6FAB132_F57237E19895FE35_6041_UN,CC1=NC(=C(C)[N]1C)NC2(C)C3=C(OCC2)C=CC=C3,BAIRHCFBRBJKDP-UHFFFAOYSA-N
-F553416AD95ECCB6_0B72F2C0CCB06A26_6038_UN,CCC1=CC(=C(C=C1)OC(=O)C3=CN2C(=NCC2)C=C3)OC,FWXCUQZNBHGEOM-UHFFFAOYSA-N
-F69691FB17C2735C_1CE9E691D5F2671D_6029_UN,O[C@H]1C[C@H](N(CC1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,IPGXDYAROXJIDW-APWZRJJASA-N
-F80BD219037AEC9F_39328E9E14663175_6028_UN,N(C1CC(C1)C2CCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,OLBRSFHAXWKSES-UHFFFAOYSA-N
-FA02562B99398D14_BC730C772C89417C_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(OC)C=CC=C2OC(F)(F)F,HDBMHURASVVGNP-UHFFFAOYSA-N
-FB0090DAD8A3A116_D8C3D315600B2987_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3C[C@@H](OC)[C@@H](C3)OC,LAGWSVWIVPZDBW-ZIAGYGMSSA-N
-FB0406F177B20F06_C952D4D542B2B5D5_6038_UN,CC(C)C(NC(C1=CN=C(N(C)C)O1)=O)C2=N[NH]N=N2,PQNFAGKJRCRXBY-UHFFFAOYSA-N
-FE00CFDC7B7F84C8_CF249DB7CD96D613_6029_UN,C1CN(CCN1[S](C2=C(O)C(=CC(=C2)F)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,CVLUIEDJKSCTTE-UHFFFAOYSA-N
-FE2F6D0D230FBCA4_7C44E15308585895_6029_UN,FC1CC2(C1)CN(C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,YWLZCRXXGMTCOU-UHFFFAOYSA-N
-FE565C9FFE3F50D4_C4DB8D385A62A971_6029_UN,CC1(CCC(CC1)N[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C4=CC=CC=C4,CRTJTNNKHGSESY-UHFFFAOYSA-N
-FF74FC2690B28ABD_8CBA6D0B52AA5BA2_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)N=C(C=C2)N3CCCC3,LGQNDVRISILEQH-UHFFFAOYSA-N
-FF74FC2690B28ABD_AB644FEBD693C9CF_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)N=C(C=C2)N3CCCC3,LGQNDVRISILEQH-UHFFFAOYSA-N
-rxn:2:100199:137019,COC1C(C)C(Nc2nc(N(C)C)ncc2S(C)(=O)=O)CC2OC(c3ccccc3)CCC21,WFRIRJJAWUSUTC-UHFFFAOYSA-N
-rxn:2:104292:152385,CCCc1c(CN(C)C)n[nH]c1NC(Oc1ccc2c(c1C)OCCCC2=O)C(C)(C)C,ZOUFXVPDAWGJGP-UHFFFAOYSA-N
-rxn:2:105091:79246,CCCn1ccnc(N2CCC(Nc3ccnc(CO[Si](C)(C)C(C)(C)C)c3)CC2)c1=O,UEOISOQSKOWBLL-UHFFFAOYSA-N
-rxn:2:108990:165475,Cc1ccc(C)c(C(NCCc2ncn3c2CN(C2CCCCC2)CC3)c2cccc(S(C)(=O)=O)c2)c1,XBZNNKYLATYCLF-UHFFFAOYSA-N
-rxn:2:109073:164678,Cc1ccc(S(=O)(=O)OC2CCC(NC3CCC(Sc4nc(C)cs4)CC3)CC2)cc1,VKHYYGJFRDSNBL-UHFFFAOYSA-N
-rxn:2:110331:151893,CC(C)(CCC1(c2cccnc2)COC1)NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,BWGIXDPCODFZJW-UHFFFAOYSA-N
-rxn:2:110830:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]c(C4CCCCC4)nc3=O)C2(F)F)nc1,WMOFIDOXQPQVGA-UHFFFAOYSA-N
-rxn:2:111757:66153,CCN1CCS(=O)(=O)c2ccc(NCC3c4ccccc4OC34CCN(C)CC4)cc2C1,IPBVRIUCKWPPHK-UHFFFAOYSA-N
-rxn:2:111757:73630,CCN1CCS(=O)(=O)c2ccc(NC3CCC(C4(c5cccs5)COC4)CC3)cc2C1,USTSVGFXGCFVTD-UHFFFAOYSA-N
-rxn:2:111757:88050,CCN1CCS(=O)(=O)c2ccc(NC(CCc3ccc(SC)cc3)C3CCCCC3)cc2C1,QXXBAKFKDBGELJ-UHFFFAOYSA-N
-rxn:2:117615:151893,CC(NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)C1CCCc2nc(C(C)(C)C)[nH]c21,XOTHFRZCPNPKLQ-UHFFFAOYSA-N
-rxn:2:118831:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(=O)n(C(=O)C4CCCCC4)o3)C2(F)F)c1,GJMBQLYWBPUZBY-UHFFFAOYSA-N
-rxn:2:119952:151893,CN1CC(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC(c2csc3c2OCO3)C1,YKGCUHOCMQRSHK-UHFFFAOYSA-N
-rxn:2:120985:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3CCN(c4cc(=O)[nH]cn4)CC3)C2(F)F)c1,FMDFZXYGQBEJMC-UHFFFAOYSA-N
-rxn:2:124983:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCC(N3CCCC3c3cccnc3)C(C)(C)C)CC2)cc1,ZJMLLWJRUIWAQT-UHFFFAOYSA-N
-rxn:2:130766:162544,CCCC(C)N(C)C1COc2ccccc2C1NC(C)c1cn(N2CCCCC2)c(=O)[nH]c1=O,MKIOEXFUOQYTOY-UHFFFAOYSA-N
-rxn:2:131168:80930,CC1(C)C(Nc2[nH]ncc2SC23CC4CC(CC(C4)C2)C3)C(C)(C)S1(=O)=O,VLSKAIARNWMQLB-UHFFFAOYSA-N
-rxn:2:131236:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3c(C)ccnc3N3CCCCC3C)C2(F)F)c1,OXKCTZIFYRTLQX-UHFFFAOYSA-N
-rxn:2:131236:164678,Cc1ccc(S(=O)(=O)OC2CCC(Nc3c(C)ccnc3N3CCCCC3C)CC2)cc1,OLJQAVLUUKIEFL-UHFFFAOYSA-N
-rxn:2:132108:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nnc4c(n3)C3(C)CCC4C3(C)C)C2(F)F)c1,CLTIHZCEKIWAII-UHFFFAOYSA-N
-rxn:2:132552:151893,Cc1cnc(N2CCC(CCNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)s1,KXGLDCPWLGXACS-UHFFFAOYSA-N
-rxn:2:132999:80930,CC1(C)C(NC2CCN(CCc3ccc4c(c3)OCCO4)C2)C(C)(C)S1(=O)=O,LUUGIPIHHVGMAJ-UHFFFAOYSA-N
-rxn:2:135886:171477,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCC2NCCC1C(c2nc[nH]n2)C1(F)F,VCWHKIRDCINGOP-UHFFFAOYSA-N
-rxn:2:136268:151893,CCCN1CCC(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)(c2ncon2)CC1,GGPTVQFKVZKTMD-UHFFFAOYSA-N
-rxn:2:136580:71442,CC(NCCCN1CCC(N2CCSCC2)CC1)c1ccc(S(=O)(=O)F)cc1,ZPEMNLWDCJVBGI-UHFFFAOYSA-N
-rxn:2:139888:166005,CS(=O)(=O)c1cccc(N2CCC(NCCCc3nnc(N4CCOCC4)s3)CC2)c1,PVQXJHVORABNOC-UHFFFAOYSA-N
-rxn:2:140034:102337,CC(C)Oc1ncc(NC2CCN(c3ccc4c(c3)OCCO4)C2(C)C)cc1S(C)(=O)=O,RFVLUPJCCYVELR-UHFFFAOYSA-N
-rxn:2:140187:67002,Cc1ccc(C(NC2(c3nc(C4CCCC4)no3)CCOCC2)C(C)S(C)(=O)=O)cc1,AFWUEICIQXQLBR-UHFFFAOYSA-N
-rxn:2:140823:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc(=O)n(C4CCCCC4)s3)C2(F)F)c1,AWJBVUZPDOEUMM-UHFFFAOYSA-N
-rxn:2:141882:66790,Cc1cnc(S(=O)(=O)C(C)(C)C)c(NC(c2ccc(CN3CCCC3)cc2)C2CCC2)c1,RQQOYDKHOXQEMI-UHFFFAOYSA-N
-rxn:2:141893:151893,CC(C)(C)C1CCN(c2ccc(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)nn2)CC1,UFQWPHLZUOGBKU-UHFFFAOYSA-N
-rxn:2:143063:68833,CCS(=O)(=O)CCCC(Nc1ccc(Cc2nc3n(n2)CC(C)CC3)cc1)C(C)(C)C,ISUYVMXTNUBXCX-UHFFFAOYSA-N
-rxn:2:143964:112885,Cc1coc(C)c1C(CS(C)(=O)=O)Nc1cnc(=O)n(C2C3CC4CC(C3)CC2C4)c1,ZXPLXAULUUCZOC-UHFFFAOYSA-N
-rxn:2:143964:80930,CC1(C)C(Nc2cnc(=O)n(C3C4CC5CC(C4)CC3C5)c2)C(C)(C)S1(=O)=O,ODVUDSWIPSGBRV-UHFFFAOYSA-N
-rxn:2:144561:152385,Cc1c(OC(NCC2C(c3n[nH]c4ncccc34)C2(F)F)C(C)(C)C)ccc2c1OCCCC2=O,HZCRPAOUFYKTLG-UHFFFAOYSA-N
-rxn:2:153664:66790,CCc1c(C)nc(NC(c2ccc(CN3CCCC3)cc2)C2CCC2)c(S(=O)(=O)CC)c1C,CMQWCIQSOYBOTL-UHFFFAOYSA-N
-rxn:2:153664:74309,CCc1c(C)nc(NC2CCN(CCCOc3ccccc3)CC2)c(S(=O)(=O)CC)c1C,DIGJGAKYGKERIB-UHFFFAOYSA-N
-rxn:2:157348:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3CCCN(c4nccn5c(=O)[nH]nc45)C3)C2(F)F)c1,XZSNUUZUZKYAPD-UHFFFAOYSA-N
-rxn:2:66420:160166,CC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ccc(-c2ccccc2CN2CCOCC2)cc1,UCVFUPNUGBJBIU-UHFFFAOYSA-N
-rxn:2:66420:66060,Cc1cccc(C2(N(C)C)CCC(Nc3c(S(C)(=O)=O)cnn3C3CCCCC3)CC2)c1,SBKLVFILPPOVRK-UHFFFAOYSA-N
-rxn:2:66598:151893,Cc1ccc(N2CCCC2CONC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)cc1C,QAIBNLZXUVUNFK-UHFFFAOYSA-N
-rxn:2:67476:70685,CCC(NC1CC(S(=O)(=O)F)C1)c1ccc(N2CCN(CC)CC2)nc1,GCPOVWMRLVHSCT-UHFFFAOYSA-N
-rxn:2:67733:70685,Cc1cccc(N2CCC(C)(C)C(CCNC3CC(S(=O)(=O)F)C3)C2)c1,CLPAWRTXFJCYQB-UHFFFAOYSA-N
-rxn:2:67788:152385,Cc1c(OC(NCC2(c3cnn(C)c3)CC2(F)F)C(C)(C)C)ccc2c1OCCCC2=O,IWGREHKJEXAGBF-UHFFFAOYSA-N
-rxn:2:68020:151893,Cc1n[nH]c(C)c1C1(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CCN(C)CC1,MHKAUODTTLZRJG-UHFFFAOYSA-N
-rxn:2:68164:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1(c3noc(C4CCC4)n3)CCC1)C2,WQPHAEVPDNOWTL-UHFFFAOYSA-N
-rxn:2:68446:102337,CCn1ncc(N2CCC(NC3CCN(c4ccc5c(c4)OCCO5)C3(C)C)C2)cc1=O,MKKMDBBVPSLDMZ-UHFFFAOYSA-N
-rxn:2:68468:166005,CS(=O)(=O)c1cccc(N2CCC(NC3CCN(c4cc(CC5CC5)ncn4)C3)CC2)c1,PUKAGUMLCUCFMR-UHFFFAOYSA-N
-rxn:2:68889:151893,Cc1ccc2c(c1)CN(CCNC1CC3(CCS(=O)(=O)CC3)Oc3ccccc31)CCO2,QQGJMBOOVPSMOH-UHFFFAOYSA-N
-rxn:2:69079:166005,Cc1ccc(C)c(C2(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CCCN(C)C2)c1,WTEJZIKRLHEFCU-UHFFFAOYSA-N
-rxn:2:70486:151893,CN(C)C[C@H]1C[C@H](NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)C1,TUCKONRQQRIYKZ-IBOPQAGSSA-N
-rxn:2:71342:79246,CCCn1ccnc(N2CCC(NCCN(C)Cc3ccc4c(c3)OCCO4)CC2)c1=O,INMGLYJQAFUQOB-UHFFFAOYSA-N
-rxn:2:71394:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCC(F)(F)c3cnc(N4CCCC4)nc3)CC2)cc1,NERQAZPCVUETIU-UHFFFAOYSA-N
-rxn:2:71394:67141,CC(CCN(C)c1ccc(S(C)(=O)=O)cc1)NCC(F)(F)c1cnc(N2CCCC2)nc1,IHJPHGCGSPHHFN-UHFFFAOYSA-N
-rxn:2:71394:80930,CC1(C)C(NCC(F)(F)c2cnc(N3CCCC3)nc2)C(C)(C)S1(=O)=O,YAGINDVPCURTNZ-UHFFFAOYSA-N
-rxn:2:71427:171274,CC(Nc1ccc(C(C)(C)S(C)(=O)=O)nc1)c1cccc(OC2C3CC4CC(C3)CC2C4)c1,SCOWDCOTPFSVPK-UHFFFAOYSA-N
-rxn:2:71524:152385,CSCCC(NC(Oc1ccc2c(c1C)OCCCC2=O)C(C)(C)C)c1nc2cccnc2n1C,NVKCSJYGXBLLIT-UHFFFAOYSA-N
-rxn:2:72390:151893,O=c1cc(C2CCCC2)ncn1CCNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,CTCGSSRLYPMJFY-UHFFFAOYSA-N
-rxn:2:72460:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(N4CCCCCC4)nn3)C2(F)F)nc1,ZPJTXSSUCPALJO-UHFFFAOYSA-N
-rxn:2:73537:80930,CC1(C)C(NCC(c2ccsc2)N2CC3CCC2C3)C(C)(C)S1(=O)=O,OYSQIXJETUOXLQ-UHFFFAOYSA-N
-rxn:2:73682:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1CCc3nnn(C4CC4)c3C1)C2,KNAAWAQGRMCTHP-UHFFFAOYSA-N
-rxn:2:74153:68833,CCS(=O)(=O)CCCC(Nc1cccnc1N1CCC(N(C)C)CC1)C(C)(C)C,ANCPBYPVLGGYPN-UHFFFAOYSA-N
-rxn:2:74248:66610,CCCN1CC(C)(C)Oc2cc(NC3CCS(=O)(=O)CC3(C)C)ccc21,MQDLFBFYNPUMJP-UHFFFAOYSA-N
-rxn:2:74248:79246,CCCN1CC(C)(C)Oc2cc(NC3CCN(c4nccn(CCC)c4=O)CC3)ccc21,ATECBSHYWIHWJR-UHFFFAOYSA-N
-rxn:2:74248:93541,CCCN1CC(C)(C)Oc2cc(NC(C)ON3CCC(=O)CC3)ccc21,JIBPHBOABXHUIY-UHFFFAOYSA-N
-rxn:2:74367:67002,Cc1ccc(C(NCC2CCC(c3nc(C4CCCC4)no3)CC2)C(C)S(C)(=O)=O)cc1,VOVRTKYVDLXBNR-UHFFFAOYSA-N
-rxn:2:74783:91416,CCN(CC)c1ccc2nonc2c1NC1CC2CCC1(CS(=O)(=O)F)C2(C)C,MWZVFAPJIITQKC-UHFFFAOYSA-N
-rxn:2:74967:79246,CCCn1ccnc(N2CCC(NC3(c4ccc(OC)cn4)CCC(F)(F)CC3)CC2)c1=O,UJCIJRLTPLAULC-UHFFFAOYSA-N
-rxn:2:76177:100357,CCn1cc(S(=O)(=O)C(C)(C)CNC2CCC(c3ccc(C)cc3)(N(C)C)CC2)cn1,XTPKHONUSWIAGW-UHFFFAOYSA-N
-rxn:2:76177:66153,CCn1cc(S(=O)(=O)C(C)(C)CNCC2c3ccccc3OC23CCN(C)CC3)cn1,ZREHKMKHAPIWCK-UHFFFAOYSA-N
-rxn:2:77252:66930,Cc1ccc(N2CCC(NCc3nc(C4(S(C)(=O)=O)CCCC4)no3)CC2C)cc1C,PMNRVXOVYFFYHH-UHFFFAOYSA-N
-rxn:2:77770:80930,CC1(C)C(NCc2c[nH]c(C3C4CC5CC(C4)CC3C5)n2)C(C)(C)S1(=O)=O,HBTJGTFLCVUOOH-UHFFFAOYSA-N
-rxn:2:78723:152385,Cc1c(OC(Nc2cnn(C[Si](C)(C)C)c2C)C(C)(C)C)ccc2c1OCCCC2=O,CAWBMPHLWICRDQ-UHFFFAOYSA-N
-rxn:2:79932:164678,Cc1ccc(S(=O)(=O)OC2CCC(Nc3ccc(N4CCCCCC4)c(C)c3)CC2)cc1,WVRUWSIEDZTBDJ-UHFFFAOYSA-N
-rxn:2:81100:151893,CSC1CCC1n1cc(CCNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)nn1,OTLXUSHOAMTERO-UHFFFAOYSA-N
-rxn:2:81667:70685,CN(CC(NC1CC(S(=O)(=O)F)C1)c1ccc2c(c1)OCCO2)C1CC1,VVLCHGCGQPNJHB-UHFFFAOYSA-N
-rxn:2:82716:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc4c(n(C(C)C)c3=O)CCCC4)C2(F)F)nc1,HELCBOYAVQZDSU-UHFFFAOYSA-N
-rxn:2:83053:162544,CC(NCCC1C(c2cnn(C(C)(C)C)c2)C1(F)F)c1cn(N2CCCCC2)c(=O)[nH]c1=O,ALQPCOBJSKNTLE-UHFFFAOYSA-N
-rxn:2:83053:163244,Cc1ccc(S(=O)(=O)C2CCCCC2NCCC2C(c3cnn(C(C)(C)C)c3)C2(F)F)cc1,LMZIUUHNDXHIMC-UHFFFAOYSA-N
-rxn:2:83267:112885,Cc1coc(C)c1C(CS(C)(=O)=O)Nc1cccc(OC2C3CCC(C3)C2N(C)C)c1,HZGUJBUBBMGHPK-UHFFFAOYSA-N
-rxn:2:83691:152385,Cc1c(OC(Nc2ccc(S(=O)(=O)C3CC3)nc2)C(C)(C)C)ccc2c1OCCCC2=O,DYGUOELCYBXIHJ-UHFFFAOYSA-N
-rxn:2:83848:70685,CN(c1noc(NC2CC(S(=O)(=O)F)C2)n1)C1C2CC3CC(C2)CC1C3,ABAPACCKEZQFPH-UHFFFAOYSA-N
-rxn:2:84605:151893,CN1CCC(Oc2cccc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)n2)CC1,LNNZFAXAKWWDKA-UHFFFAOYSA-N
-rxn:2:85596:66610,CC1(C)CS(=O)(=O)CCC1NC(c1ncco1)C1C2CC3CC(C2)CC1C3,YVUJWPHFSCJMDN-UHFFFAOYSA-N
-rxn:2:85596:80930,CC1(C)C(NC(c2ncco2)C2C3CC4CC(C3)CC2C4)C(C)(C)S1(=O)=O,JJRRFKVZDFLROT-UHFFFAOYSA-N
-rxn:2:88209:102337,CCS(=O)(=O)Cc1nc(C)n(C)c1NC1CCN(c2ccc3c(c2)OCCO3)C1(C)C,UCWIWEVYFAQEGM-UHFFFAOYSA-N
-rxn:2:88993:151893,CC(C)(C)c1cncc(OC2CC2)c1NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,BTZAUNLHYGETQO-UHFFFAOYSA-N
-rxn:2:89079:80930,CC1(C)C(Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)C(C)(C)S1(=O)=O,SLPIVEJQOWRBCY-UHFFFAOYSA-N
-rxn:2:89319:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc4c(s3)C3CCC4CN3C)C2(F)F)nc1,YMLVVMXFADZCNU-UHFFFAOYSA-N
-rxn:2:90035:71908,CN(CNC1CCC(c2nccc(C3CCCCC3)n2)CC1)Cc1ccc(S(C)(=O)=O)cc1,YNGLBIQRRAJCJP-UHFFFAOYSA-N
-rxn:2:90184:125595,CS(=O)(=O)CCC(Nc1cnc(C23CC4CC(CC(C4)C2)C3)s1)C1CC1,TUJWLNYWAXUZOY-UHFFFAOYSA-N
-rxn:2:90207:152385,Cc1c(OC(Nc2c(C(C)C)cnnc2C(C)C)C(C)(C)C)ccc2c1OCCCC2=O,QOBAQPTZSGEASH-UHFFFAOYSA-N
-rxn:2:90414:152385,CCn1c2c(nc(NC(Oc3ccc4c(c3C)OCCCC4=O)C(C)(C)C)c1=O)CCC2,HOAIIORJXKUASM-UHFFFAOYSA-N
-rxn:2:91354:151893,CC(Cc1nnc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)o1)CC(C)(C)C,GBMHJRPHCGOFOW-UHFFFAOYSA-N
-rxn:2:91770:103302,CCC(NC1CCCN(c2nccn(CC)c2=O)C1)c1ccc(N2CCC(C)CC2)cc1,QZCROWZIXRYXRU-UHFFFAOYSA-N
-rxn:2:93226:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(=O)[nH]c(SC4CCCC4)n3)C2(F)F)c1,NDHZSSKFRCKFLY-UHFFFAOYSA-N
-rxn:2:94713:80930,CC1(C)C(Nc2csc(C34CC5CC(CC(C5)C3)C4)n2)C(C)(C)S1(=O)=O,ONEAUFVYXDIMSS-UHFFFAOYSA-N
-rxn:2:95000:151893,CCc1sc([C@@H](NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)C2CCCC2)nc1C,WHKMXGGQCIFBSI-AKRCKQFNSA-N
-rxn:2:99063:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCCC3C(c4ccnc(C)c4)C3(F)F)CC2)cc1,OIIOLIHWFAPRIN-UHFFFAOYSA-N
-rxn:2:99151:151893,C[Si](C)(CCCNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)N1CCC[Si]1(C)C,CYUIZJAZZWIZKB-UHFFFAOYSA-N
-00F3D85F048B6CB5_9688A5F60ECB7BA3_6041_UN,C1(=CC=C(C=C1)C2CCCC(=O)C2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,CPCBOJFRLIEAJP-UHFFFAOYSA-N
-011FA683DC62C199_2C889CAAD4B92E98_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)N[C@@H](C3=C(SC)C=CC=C3)C,OWWYXDDCCQJBEX-LLVKDONJSA-N
-023D60311C3B03FE_5A3E284485D37BD1_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCC3)C4=CC=CC=C4,QAMSFGYFGXBNFC-UHFFFAOYSA-N
-026C257173E48A9A_B3ACA9AD85A09EAD_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(C)(C)CCC#N,ZXFZDFVAYAAJOM-UHFFFAOYSA-N
-050F909476424CD2_B99820F19A9E3874_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,GGFJTGXPOSLCGI-UHFFFAOYSA-N
-061F461053B2C4BC_EA6B297F6776EB54_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F)[NH]4,OLPZBBJLGISHAW-UHFFFAOYSA-N
-081329A5B198D026_55A5E86D27FBE440_6029_UN,C(C1CCN(CC1)[S](C2=C(C=C([C@H](C)O)C=C2)C)(=O)=O)[N]3C=CC=C3,RITMHANKVMBTMW-INIZCTEOSA-N
-082994A51F4DFFFE_638DAB6EDD4ED8B5_6038_UN,CC(OC(C2=C(C(N1CCN(C)CC1)=O)C=CC=C2)=O)C3=NN=N[N]3C,JGTZSHCIGZUAIM-UHFFFAOYSA-N
-0949A914CD7DBC50_612AA31FEBBCDA5B_6003_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3,YNUZUIRRVMDLLQ-UHFFFAOYSA-N
-09E49AEAA7E646A1_34B42CE6B384130C_6029_UN,FC1(CN(C1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,ZDLRGJOEDSUCCS-UHFFFAOYSA-N
-0B1DBD32D87EAE11_14795A708B57F125_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=CC(=C2O)C(C)(C)C)I)(=O)=O)C=CC=C3,JGXDPHROFLUBSX-UHFFFAOYSA-N
-0BF9361D69F12B31_3DBD9E3ED2FE48CF_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C2CCN(C2=O)C3=CC(=C(C=C3)Cl)Cl,XQLVAKMQOZUUMJ-ACGXKRRESA-N
-0ECBB8E9EC6FC070_DD553694F274A69D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=CN=C(C=C3)OC4=CC(=CC=C4)C#N,MLVAFLKEFFUDRU-UHFFFAOYSA-N
-11949A88385DB585_FB5D797A58C39FD7_6041_UN,FC1=C(C=CC(=C1)NCC2ON=C(C2)C3=CC4=C(C=C3)OCC4)N5CCC[S]5(=O)=O,BJPQWLHRSGUUCE-UHFFFAOYSA-N
-132248D6528AB333_9C27EBB4B3F47E70_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3CC(CN3)(C)C)=O,NMGKXJRZTLISMG-UHFFFAOYSA-N
-15E0A815E73DC1D4_17B5DE8E0BAA1CAE_6038_UN,CCC(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CCC#C,ZUPJZQJJUPBJAP-UHFFFAOYSA-N
-16F7499BA4570F09_8EC2D324674C9855_6038_UN,O(C1=C(C(=CC=C1)F)Br)C(C2=N[NH]C(=C2)C3(C)CC3)=O,LTNYKRUGXHILLD-UHFFFAOYSA-N
-179216165DDED431_E52863B2B059BADD_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,ISXBNJLKRUAUOX-OALUTQOASA-N
-189EE29FFD5A9C06_E96EF34A04F426CC_6038_UN,CN(C)CCOC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,SJFOASJLVYJKSO-UHFFFAOYSA-N
-1995DCF5FCDFB9E7_A44D7C0077891619_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N3CCC(C)(CC3)C4=CC=CC=C4,OQMHMKVBIPXGRN-UHFFFAOYSA-N
-19EE2A75CE1A6D31_32E6254F19F8DF4E_6038_UN,O(C1=C(C(=CC=C1)F)I)C(C2=N[NH]C(=C2)C3(C)CC3)=O,BWAOYXWSXYSFOU-UHFFFAOYSA-N
-1B7B60C89E2DBCF5_A2268CB1D535A03E_6035_UN,C[C@H](OC1=C(CC(OCC)=O)C=NC=N1)CC(=O)N(C)C,RCAHHEKZOFGVLM-JTQLQIEISA-N
-1CA3043B2F106E0E_6903954F865AA907_6029_UN,CC1CC(CN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=CSC=C4,HVTBWKDODVUFKE-UHFFFAOYSA-N
-1DFCB4C26089E27C_5F259C79886A7AE2_6031_UN,CC1=N[N](N=C1C(=O)OCCCC(N(C)C)=O)C2=C[N](N=C2)C,WHMQUPKHZMSMJO-UHFFFAOYSA-N
-1F06F1BC3CD23FF6_3167D94DA809166D_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,VZOBVBKBYJGFNL-ZDUSSCGKSA-N
-1FC3E2697143341B_CCFD5DA452957390_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,AEGYTTQCGOGLFS-UHFFFAOYSA-N
-200BEE560394CF70_2E3ED6C1826950CD_7022_UN,CC1=C(C=CC(=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C)Cl,DNSNYUCNQIYDJV-UHFFFAOYSA-N
-2258BFAE1D412C0F_17CBCBA10F0212F3_6029_UN,FC1=CC=C(C=C1)C2CCN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,ADTAXIZFNDHRRG-UHFFFAOYSA-N
-246FC5E25646C0C2_9CED86C33EE320B3_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@H]3C[C@@H](OC)CN3)=O,MBRODPJRJWRHOJ-OLZOCXBDSA-N
-24B9675FFD77A60A_FDEAE78E49086D5F_6041_UN,C1(=CC=C(C=C1)OC2CCC2)NC3=C(OC)C=C(C=C3)C[S](=O)(=O)C,VZDLYZLBUIKWFQ-UHFFFAOYSA-N
-267A77DDA32455CE_139A9CF4C6CFCE1F_6041_DP,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NC[C@@H]3CC(CN3)(C)C,ICWWSASMEWFWKJ-NSHDSACASA-N
-272FB18AEB3E25D4_C1DDF1CC106197D2_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C(CCC)=C)=O)C,CDTIFZXTWMUICS-UHFFFAOYSA-N
-297E5E8E1BBF9D41_65BBC623A197055F_6033_UN,O(C(=O)CC1=NN=N[NH]1)CC(C(OC)=O)=CC2=CC(=C(C=C2)F)F,DPDBFPHONXNLNF-UHFFFAOYSA-N
-2994FFCBE2FF47A7_DB77B028D10D5A12_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,CRAATXHGLHJEGO-OALUTQOASA-N
-2A398B51F8280EE2_9EDE7048F4C4F868_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)[C@@H](C)O)(=O)=O,WCSXTWLANFDLTJ-MTATWXBHSA-N
-2AE1A37E2617387C_7B1EDA100C216340_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(C)(C)F,LNVLQXDDAYKYIE-UHFFFAOYSA-N
-2D2136E564BCE1FC_ABF549435B12D3C9_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OCC)C=CC(=C3)C(=O)N(C)C,RKUDQNXYSREKMS-UHFFFAOYSA-N
-2D9D34D4909ACD26_C3F547A320D0E219_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,RCNZXJCBTWYNAR-AGRHKRQWSA-N
-2E68DEC79431779A_8BE47A52A21240E4_6038_UN,O(C1=C(C(=CC=C1)Br)F)C(C2=N[NH]C(=C2)C3(C)CC3)=O,IOWJXNWIZOONCB-UHFFFAOYSA-N
-2E877CFD79E025ED_B5F528CE237027BB_6039_DP,N3CC(OCC2=CC=C([S](C1=CC=C(C)C=C1)(=O)=O)C=C2)(C3)C4CC4,JSPZOEZNIVTYMV-UHFFFAOYSA-N
-313FC6C27BCAFF5D_2A25B58F2537FC9C_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=NC(=CC=C3)OC4CC4)(=O)=O)C5=CC=CC=C5,DIFDCYGJFLGWBU-QHCPKHFHSA-N
-31F41CCCDB760416_DB20959D222226AA_6041_UN,O=[N](=O)C1=CC(=NC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,PQUXEJARXLTEIT-HNNXBMFYSA-N
-31F5386E0C996152_D95716B554317F67_6034_UN,O=C2C1=C(CCC1)N(C3=NC=N[N]23)CC4=C(N(C)C)C=CC=C4Cl,LAPAFZFKHLGGOT-UHFFFAOYSA-N
-32E6DE69F54BA803_FA3CDBAB72C7B9BB_6041_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[C@@H](C)C3=CC=C(C=C3)[S](=O)(=O)C,FUMRTGIHEFOQAO-INIZCTEOSA-N
-335D9F45D48EBED9_F78CBE6F80A549D9_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,SPEYJIUGOHSTTB-UHFFFAOYSA-N
-3433B8EC18A46FF2_945CA1ABA1B1FEFB_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]4C3=CC=CC(=C3OCC4)C,GYAFWNNUOPVMHH-KRWDZBQOSA-N
-34B344FE44B1C8AB_CA88AA9C64B7922D_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,PKQYGNNMTNGSBZ-UHFFFAOYSA-N
-351A81E057E1ADF8_01037EE89343F614_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,KEYMJNWQIJGSOH-HNNXBMFYSA-N
-37F37D5505E4835D_0DBF80623C4403DB_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,PJRVKMFMSHCGBA-UHFFFAOYSA-N
-385073DAB8FF7E99_958D76FE76B14EA4_6029_UN,CC1CC(CN1[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C3=CSC=C3,CQWFMXVLFONIOS-UHFFFAOYSA-N
-388F6DE8C999CD85_7BB386AAA9A14A86_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,NRWGBEMPSWOLFL-UHFFFAOYSA-N
-3972BDD2EB1D4298_9015D7EC31694690_6029_UN,CC1C(CN(CC1)[S](C3=CC2=C(OCC2(C)C)C=C3)(=O)=O)C4=CC=CC=C4,RPSIHJCXDPJOQS-UHFFFAOYSA-N
-3A13968D3DD2BA6A_EF3ECA033EAE6EEA_6038_UN,CC(=O)C1=N[N](C)C=C1OC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O,WSVWWGIYCSILKR-UHFFFAOYSA-N
-3B022A7977920024_4F354F378BABBD85_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CC[N]2C=CN=C2CC3,LXBQERRECPLSGY-UHFFFAOYSA-N
-3B8E47FD08C37E03_4DCF4AF541B20095_6029_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,PBAQBYWAOWZTRB-RBUKOAKNSA-N
-3BC47DBEED855F6C_3205CD64783A923A_6039_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)CC(NC3=C(C(OCC)=O)C=N[N]3C)=O,LLVGVBXIHJYTQN-UHFFFAOYSA-N
-3CA023ABE2F3C64B_A88698FEB3A23B15_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,VLUDNXYRXHJVSL-UHFFFAOYSA-N
-3DFFDE9759E91D2C_2D6D3135C67EE194_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CCC4)Cl,YKHRADDIWCZZDT-UHFFFAOYSA-N
-3EC536AAB45B2A26_5258BF1CE6A223F4_6041_UN,C1(=CN=C(C=C1)C2(CC2)C#N)NC3=CC=CC4=C3C(C)OC4=O,UGVBSJNMSBSFSY-UHFFFAOYSA-N
-3EC536AAB45B2A26_765CEBAB0D3ACEC0_6041_UN,C1(=CN=C(C=C1)C2(CC2)C#N)NC3=CC=CC4=C3C(C)OC4=O,UGVBSJNMSBSFSY-UHFFFAOYSA-N
-3ED9BEBC251DCA64_DDB2B2DC1A4F5267_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC=C([Si](C)(C)C)C=C2,FXJSVNSQFJURHN-UHFFFAOYSA-N
-3F62DBC964E22DAE_FE96ED11A0A21DC8_6029_UN,N(CC1=C(C=CC(=C1)Cl)I)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,POJPBIUYICKXRL-UHFFFAOYSA-N
-4301FF6CD351573D_037DDFD1FA200022_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)C#C)C)(=O)=O)C3=CSC=C3,AFNGZSYATZTPHI-UHFFFAOYSA-N
-442D76F19E6F8299_A530273A511526AD_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C(C)C)C=C(C=C2C(C)C)Cl)(=O)=O)C=CC=C3,DNJLAFYHLGWYDN-UHFFFAOYSA-N
-461A1E89CBA49036_ECBEAC56A7B60408_6038_UN,O(CCCC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NZUIVAFUTRJGRF-UHFFFAOYSA-N
-490DB23BF2866B99_5942672A5608659F_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC(=C(C(C)O)C=C3)F)(=O)=O)C=CC=C4,KQYDLAYVUQNJSW-UHFFFAOYSA-N
-49C3E7E9F1968C7F_131D39C986915A9A_6029_UN,CC1CC(CN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C4=CSC=C4,XLGSYTPLPSKNLL-UHFFFAOYSA-N
-49F387CC84786C62_76C64471FF3B2C44_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(CO)C=C3)(=O)=O,FDPKAQQRBCADBC-UHFFFAOYSA-N
-4C7EAFB88CA6AB16_199FBFB735FF3AC4_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CCCC3)C4CC4,QYEADKJJTDHBIX-UHFFFAOYSA-N
-4CFC14408C9CA767_236755850E1BE05A_6029_UN,CC1OC4=C(CN(C1)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O)C=CC=C4,PMMNCQSDTGWLBP-UHFFFAOYSA-N
-4D099E5F28908132_9016F2A5AD031664_6029_UN,C1C=C(CN1[S](C2=CC(=NC=C2)C(F)F)(=O)=O)C3=CC=CC=C3,JZAUDBLDXFZJPW-UHFFFAOYSA-N
-4D50C8B3667F2041_77C9D410C8085E99_7022_UN,C1(=CC=C(C=C1)OC2CCCC2)NC3=C(OC)C=CC(=C3)C[S](=O)(=O)C,KXMYZCQXCJUBNS-UHFFFAOYSA-N
-5014999374927D6D_B348E18FB83A7800_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3C[N]2C=CN=C2CC3,NQIMRQNFADRJLC-UHFFFAOYSA-N
-5185AD9DE817FB6E_3F8362CAF6D1ADB9_6029_UN,C1N(CC=C(C1)C2=NC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,CXWKRCHJJWFASB-UHFFFAOYSA-N
-545DEF3A1575AECA_0EBE847263377082_6004_UN,C1(=CSC=C1C2CCC2=O)C3=C(C(C)(C)C)C=CC=C3,IDFDILANPJCSAR-UHFFFAOYSA-N
-54E2780FD64E3EF3_808AA0466739B7BF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C(C)C)C=CC=C3,JPRNZGXDUCTUPJ-UHFFFAOYSA-N
-55093BFB61083644_CAFEEBB04831B85A_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)CNCC4,SUOFTYMJUVMREK-UHFFFAOYSA-N
-55DCF2622FFD744C_59F0D4C0E718A2E3_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CCCC3)C4=CC=CC=C4,WUUSZWUWJMAFHP-UHFFFAOYSA-N
-56248E0E0513BA62_EA10D9E72CAF0018_2201_UN,CC3CN(C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)C5CC5,DSMBYVQLHQSDHB-UHFFFAOYSA-N
-5684D50FD1BD761D_A63C533744864151_2201_DP,N4CC(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C4,ILGMMACUFYQAEZ-UHFFFAOYSA-N
-5810CB2C4CE5CCA1_F17AC113348C4A86_6029_UN,N(C1=C(CCC1)C#N)[S](C2=C(C=CC=C2)OC3=CC=NC=C3)(=O)=O,AEAUJEVQWAXQNV-UHFFFAOYSA-N
-587D642B421F2A05_1D58BD7B2D2E4069_6029_UN,ClC1=CC=C(C=C1)C2CCN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,PVZFHCOFKWFZTQ-UHFFFAOYSA-N
-590417781DB8F773_960393CFED8527BA_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,HLVYOSFAUBKLQN-UHFFFAOYSA-N
-59EFFB10A038F702_4ADAE4C933800D3F_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O,VMMNJBHHLNVMFS-UHFFFAOYSA-N
-5A36B7DA08C319DF_7DE642EDE5AE0E33_6038_DP,CC1=C(C=CC(=C1)NC(C(C)=C2CNC2)=O)N3C(=O)CCC3=O,BZYWDVPGERTQBU-UHFFFAOYSA-N
-5BCE202ADC91FAC4_D7FC91DA8FA22D53_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N3CC(OC)(C3)C4=CC=CC=C4,CHURPHSDPIHFDT-UHFFFAOYSA-N
-5D693589848DE0A1_8B217A60DE7213F9_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,ZOLDLJYXXYDEKQ-CALCHBBNSA-N
-5F864FC1D2582EA4_0BCC2287E9C89195_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CN=CC(=C3)C(C)Br)(=O)=O,IZELTSGNJPDXDT-UHFFFAOYSA-N
-6043DD41B2AA0E1C_1FE8DC732E2183AF_6039_UN,O(C1(CC1)C2CC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,MQMBXEQABFRZBV-UHFFFAOYSA-N
-63E8BB902EBC97C9_3C624AD2DEA6FC11_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCC)(C)C)=O,AXQHIWAFHOMIDP-UHFFFAOYSA-N
-6555594C6BCA5C85_CB526367989A5FBA_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C)CC3C4=CC=CC=C4,LPJUBHYEYJQTCE-UHFFFAOYSA-N
-679D2A274E7B0C8F_09D17350EE5BC0E9_6039_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)CC(NC(NCC(F)(F)F)=O)=O,XOXIVMHKRIDWKM-UHFFFAOYSA-N
-67C7FFB9C1A334FF_C82997CCE3E080AF_6029_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=C(SC)C=CC=C3)(=O)=O,QWUOVLMCYCRNQQ-UHFFFAOYSA-N
-685012AACFECDA28_E8E4207B6BE23090_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(O)C=C(C=C2)OC(F)(F)F,DAJRZISDCGARJK-UHFFFAOYSA-N
-6B53D5DD35AB8899_F6D629B41443ADFC_6031_UN,CC1=N[N](N=C1C(=O)OCCC(N(C)C)=O)C2=C[N](N=C2)C,XWLFDDUKDYJRPP-UHFFFAOYSA-N
-6C831D7F3F2E9758_F2CD59FFB61BE1F3_6035_UN,O(C(C1CNCCC1)C2=CC=CC=C2)C3=C(C[S](C)(=O)=O)C=CC=C3,KTRNCILWAOKMBX-UHFFFAOYSA-N
-6C9A388B77ABCF68_88BE2E04B7AFA88C_6041_UN,C1(=CC=C(C=C1)OC2CC[S](=O)(=O)CC2)NC4C3=CC=CC(=C3OCC4)CC,UXUKAASASNTNSN-UHFFFAOYSA-N
-6CFDAD24940E60ED_5832F102E1C9DC4F_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,SKIUOQWZDKCTPD-UHFFFAOYSA-N
-6D78FA41EC37A878_6AF950A9D52DAACE_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)COC3=CC(=CC=C3)F,CCJSOLXCNJWIOT-UHFFFAOYSA-N
-737C25EBCF028584_B4BFF971AE37C629_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CC3)C4CCCC4,AKUVFDRNJALNSQ-UHFFFAOYSA-N
-75E6EE57EBA9573A_3D8DE63AD14C84C1_6041_UN,C[N]1C=NC2=C1C=CC(=C2)NC(C)C3=NN=C4CCC[N]34,NFMBYBZJFSIMDP-UHFFFAOYSA-N
-76477CFE38ED63B4_C91751E651591308_6029_UN,N(CCC1=C(C=CC(=C1)Cl)Cl)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,WGHKSQBQRVJFIK-UHFFFAOYSA-N
-7667291FB58A7268_726C6CA574564F14_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=CC=C(N2CC(C)(C)C2)C=C3)C#N,RXVCBKBENGVGGC-UHFFFAOYSA-N
-794DC4D0333BDCB0_C3B26F47799A9369_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,AQOSJRVODDCMEP-INIZCTEOSA-N
-79E46950F956B1D5_89CC6F177C79DA79_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,XHTATWHCBYKNOX-UHFFFAOYSA-N
-7B0B2BB20C9C9AFA_1B42E2578898475B_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=CC=CC(=C3)[S](C)(=O)=O,YMPCWYKGMLLMCU-UHFFFAOYSA-N
-7C0F81F4EFE2B8E7_0B1227EA466DF617_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C3=C(C(C)CO)C=CN=C3)(=O)=O,MDXTXYKYLOXWMN-UHFFFAOYSA-N
-805BCBCB201C003A_CEA538FEA525DEF4_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(C(C)=C)(C)C)=O,YQFSXQPLKZGASC-UHFFFAOYSA-N
-8320D6D697650B57_2E8481AEE7C03FCB_6028_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,XLWQHYYAXIXWPN-UHFFFAOYSA-N
-8561BADDEC1976FF_E0876B4E5090C969_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,SQOSDUWOSWQGSN-UHFFFAOYSA-N
-86207A01A2258326_1045206DD89DD68F_6038_UN,CC(=O)C1=C(C=C(C=C1)N2CCCC2)OC(C4=C(C=C([N]3N=NN=C3C)C=C4)F)=O,WMHJFYAIUPUWAP-UHFFFAOYSA-N
-88305F982A071365_53B68BBBE5C11DF2_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[C@H](CCCC(=O)O)C(=O)O,DCFRFQVXFQZAEQ-LLVKDONJSA-N
-893C1BEA0CD49105_32BE19D9051A1A4E_6041_UN,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)N[C@H]3[C@H](OC)CC3,MGRVIQUJXITSHE-IAGOWNOFSA-N
-893C1BEA0CD49105_4C02D40604D217EC_6041_UN,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)N[C@H]3[C@H](OC)CC3,MGRVIQUJXITSHE-IAGOWNOFSA-N
-898A1C2FB47F88B5_BE8E8BB047C2ED70_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,QKAKLYCVNQYCGD-UHFFFAOYSA-N
-8A7C1E201260F2EF_DDE9A0F04542DFC1_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3CC(CC)(C)C3)=O,VTIQLEXUXGSOKX-UHFFFAOYSA-N
-8B0EF2F1A0B5EC97_3DB9A1EB6852B90A_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,GKFBBMRBYMCUHP-ROUUACIJSA-N
-8B8B0B109694BC70_9495C0C2EE183607_6029_UN,N([C@H]1[C@H](CC1)C2=CC=CC=C2)[S](C3=C(C(C)CO)C=CN=C3)(=O)=O,VMMARBFXYULCHI-SYFTWWQRSA-N
-8C8099011B4DE1FA_A77A64D1D7B60913_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=N3)C)(=O)=O,GSIYYQSLEXGXGG-HUUCEWRRSA-N
-8CD0470F8C6DCD1D_46E433981353C2B0_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=CS2)=O,LEYKICAPUCUNFM-UHFFFAOYSA-N
-8D2A7BED4A864C2B_DCF48D0FE97DC210_6041_UN,CCOC(=O)C1=N[NH]C(=C1NC2=CC(=C(C=C2)C(=O)N3CCCC3)F)C,UZPNZUNRVSHYMQ-UHFFFAOYSA-N
-8D354A9081A16DBB_188DA66492AA6A94_6038_UN,CC(=O)C1=C(C=C(C=C1)N2CCCC2)OC(=O)C3=CC=C(C=C3)N4NN=NC4=O,LHIYPPJXQPTGLK-UHFFFAOYSA-N
-8E2F97C00A6C2E4E_26D680F16984DD4E_2201_UN,CC(C)C3COCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,IGECPSIHQZNNIB-UHFFFAOYSA-N
-8F3C1E2D6FF2D8E6_1DA74679892F44CD_6029_UN,O[C@H]1C[C@H](N(CC1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)C4=CC=CC=C4,CJBHYMAIABQDEN-MJGOQNOKSA-N
-8F4D17A3FE103AF3_9685C98347B4ECFE_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4[N](=O)=O)C,LBXOTQXRWVCLDH-UHFFFAOYSA-N
-905F3948E89EF1B8_B2241489D83EA6C0_6038_UN,CN2C(=O)CC(OC(C1=C(CC(OC)=O)SC=C1)=O)C2=O,SJZDPZJPFPEBNK-UHFFFAOYSA-N
-91A5598E6E817FE0_84997410EB30F0FB_6028_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,XWPQKPDPWYLPOO-ROUUACIJSA-N
-9264E5C00DAE2644_CBD2FE5716EB6105_6029_UN,C1CC(CN(C1)[S](C3=CC2=C(OCC2(C)C)C=C3)(=O)=O)C4=CC=CC=C4,PZXISLHBAHIFLK-UHFFFAOYSA-N
-92D4389DE322C4E4_C71FBD362DE2601D_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)CCCC2)N3CCC(C)(CC3)C4=CC=CC=C4,BNCKOMKAOMXBIX-UHFFFAOYSA-N
-9374C3B7AB3BD358_ABA91B33ADB828B2_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,YVHDBDNESIVKLA-UHFFFAOYSA-N
-967C68F3AE49601B_E2817FF6CDA1346F_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NC2CCCC2C3=CC=C(C)C=C3,RIEYDRFMQKNMNI-UHFFFAOYSA-N
-96AE6377C1361C1A_14F422557D0E445B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(C=C(N(C)C)C=C2C)C)=O,SLTKEQYBHYJTLY-AWEZNQCLSA-N
-9767352D15E1D9A1_E92C12236861DBB7_6029_UN,CC2=NC1=C(C=CC=C1)C23CCN(CC3)[S](C5=CC4=C(OCC4(C)C)C=C5)(=O)=O,VAUBXKBPTNMWKW-UHFFFAOYSA-N
-98D1349E6CF05326_2A0E65B5379BF602_6038_UN,N(C1=C(C(=CC=C1)F)C2=N[NH]C=N2)C(COC3CN(C(C)=O)C3)=O,WZIJMKKIGSOYII-UHFFFAOYSA-N
-9993844A9D421EA3_30B480713E0D267A_6029_UN,ClC1=C(C=CC=C1)CC2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CQOFHDXBQNUMPP-UHFFFAOYSA-N
-9ABC513C6C6FBFBB_47225F980B0D80A8_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,VTTATVZMGDYSAD-UHFFFAOYSA-N
-9B4E4E21DBDFB3E2_703A92B7BCB438F3_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCC)CCC3)=O,HLHQVMLBLMUVNX-UHFFFAOYSA-N
-9B7F4A1ACB63148B_2B2178CC9C39D521_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)CC3=NC2=C(C=CC=C2)S3,PJYVPKPEVATZTI-UHFFFAOYSA-N
-9BB4A2A4091243EA_6E8864A292847695_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CC=CC(=C3)C4(C)CC4,MLAVCBUCVIIFRX-UHFFFAOYSA-N
-9BBC5EAD765AC504_2FF8754C16522522_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=C(SC)C=C3)(=O)=O,MGTBKFDJVRPOGB-UHFFFAOYSA-N
-9C2FCAD3A9163E8E_0F275E3A7C3B5835_6028_UN,C1CCC3=C(N(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C=CC=C3,KWPZBICZGAFLBO-UHFFFAOYSA-N
-9CC994333F1C00F9_D3B776111E53EC48_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)OC4=NC=CC=C4,IABGQAMOBHIYJW-UHFFFAOYSA-N
-9D7C61B599642AE7_ADF71B843F55E906_6041_UN,CC(=O)N2CC[N]1N=CC(=C1C2)NCC(C(OC)=O)CC3=CC(=C(C(=C3)F)F)F,VPICGYSBPBJVSX-UHFFFAOYSA-N
-9D8E664DEED97432_9958AEA4A45E4814_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,OSLGPMWQCMLKNU-OALUTQOASA-N
-9E8DCFB52C7390F9_B66BB652714834E4_6029_UN,C1C2(C1)C4=C(CN(C2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O)C=CC=C4,FOOYCMUCQJPCAF-UHFFFAOYSA-N
-A17B57B5B7DEEC31_4A2D7455AB25CAE1_6038_UN,CN(C)CC(NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C3=CC(=CC=C3)C,ITCYNNJSUCNCEE-UHFFFAOYSA-N
-A362B2FC34FCDD31_CC78C327DB309E49_6035_UN,CC1=C(C(=CC=C1)C2(CCNCC2)OC3=CC=CC(=C3)[S](C)(=O)=O)C,FCXKFXCIISGWET-UHFFFAOYSA-N
-A6282EE49E9A1415_FDF21A526B53E101_6029_UN,C1CC(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,NKDGDSCWXSLDAV-UHFFFAOYSA-N
-A65F3700841A3710_49610DC5026AEB9D_6038_UN,N(C1=CC(=CC=C1)F)C([C@@H]2C[C@H]2C3=CC=CC(=C3)OC)=O,IXTWVNRMCJQPTD-JKSUJKDBSA-N
-A6D87D527301D103_746EB9F152B7298A_6029_UN,CC1CC(CN1[S](C2=CC(=CC(=C2)[C@@H](C)O)F)(=O)=O)C3=CSC=C3,VZKJDNGVIDXSMS-MQYJIDSJSA-N
-A7A1373FA716B943_CDCC0EFA1D55E4EC_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N[C@@H](C)C3C4=C(CCC3)C=CC=C4,MJEQZWWIWXOSSD-BUSXIPJBSA-N
-AADBA9FA867C9BC3_FC40005122B34246_6029_UN,FC1=C(C=CC=C1)C2CCN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,NRHSALBQCHEWPV-UHFFFAOYSA-N
-AB6636936C4F48E9_D356BD2A6C40441B_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(CC(=O)N3C4=CC=CC=C4)C#N,HXSLGGBBHVUHTK-UHFFFAOYSA-N
-ACAAF450FC64893F_F4640221015E5B24_6027_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,OEZLTDZKZMFNSP-UHFFFAOYSA-N
-ADCEF8ACEF6F8A29_6B352F99E2CD76BC_6039_DP,N3CC(OCC(NC2=C(C(C)=O)C=C1OCOC1=C2)=O)(C3)C(F)F,HZALZVPTGLMTSB-UHFFFAOYSA-N
-ADEF289F74370E34_2BB7247D3A7A0D7C_6038_UN,CN4CCC(OC(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)C4=O,SMKNHNMNYBRTEP-UHFFFAOYSA-N
-AEC52C9579BE3BB9_9BAE6BA11BE79A33_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N3CC(C)(C)C4=C(CC3)C=CC=C4,VCGVLZGWFKZCIL-UHFFFAOYSA-N
-AECE43D59CD5D8E1_71BFDBAEF736FAC4_6041_UN,C1(=CC=C(C=C1)C(=O)C2=CC=CC=C2)N[C@H]3[C@@H]4[C@H](C3)[C@H]([C@H](C4)O)O,XVLKTZKXAIJKAQ-HBWRTXEVSA-N
-B07272F0409FA740_24DB3323F6A51B7F_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)(C)C3)C)=O,IEEUSTDXRHOMBV-UHFFFAOYSA-N
-B0B6AB564FFB467E_58DCB0438308D974_6038_DP,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(C3=CN(CC)C4=C(C3=O)C=C(C(=C4)N5CCNCC5)F)=O,LRIRNZXWIXALAF-UHFFFAOYSA-N
-B1C1B7730A179FBC_0A222187CE70C0B5_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(N2CCN(C)CC2)C=CN=C3,LJMACTBWEGGCGP-UHFFFAOYSA-N
-B2802D681F702320_B737BBD752C612A3_6028_UN,C(C1CCN(CC1)[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O)[N]3C=CC=C3,NBYMTOQZZXTLJT-UHFFFAOYSA-N
-B441F01F4AF1F2D4_5C643F0456520EBC_6028_UN,CC2CCC(CN[S](C1=CC=CC(=C1)C(F)(F)F)(=O)=O)CC2,AWRDRHZMGHBVBV-UHFFFAOYSA-N
-B48554A03FAB51EB_CFA3A04002AB5321_6031_UN,O(C(=O)C1=CN=C(Cl)[NH]1)CC3=CC(=C(N2CCN(C)CC2)C=C3)F,QMAMJEZNEJTZHS-UHFFFAOYSA-N
-B56D9E031F38F4D0_6BF316B1F2E5AFD8_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC3(C(C)(C3)C)C,LKUNOYAQULTCEB-UHFFFAOYSA-N
-B5CECC1A4E91908A_13E9130CBFFA12D2_6029_UN,C1CC(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=CC=CC=C3,HGXDQHOUNDZOOP-UHFFFAOYSA-N
-B7D99817C335DAA4_390C9310A08E4A6E_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3CCOC4=C3C=C(C(C)C)C=C4,GEYFXZSYRAQTSV-LJQANCHMSA-N
-B83B9866B50D8765_9B907943DCEF7005_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3CCOC4=C3C=C(C(C)C)C=C4,ARSYJNXQSQQIGI-LJQANCHMSA-N
-B942D1E889F4D51B_1A0936A3A343FD49_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=CC=CC(=C2)N3CC(C)(C)C3)F,RPAMBHYUFZTQIZ-UHFFFAOYSA-N
-BD1A3BC020AA0D87_FBB5A966D1562368_6041_UN,CC1=NC4=C(C(=C1)NC2C3=C(CC2C)C=CC=C3)C=CC=C4C,YQHVQIZVBITHLW-UHFFFAOYSA-N
-BEE0BF93E02624B8_F227AFCD449C05FE_6029_DP,N1CC2=C(C1)CN(C2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,VZQSJTWBUDVKMY-UHFFFAOYSA-N
-BF4EC623626078C7_6ABAF7362482636B_6029_UN,CC1CC(CN1[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CSC=C3,VZKJDNGVIDXSMS-AVERBVTBSA-N
-C12E88408662FAA6_F0ACA5042B39BE2E_6034_UN,SC2=NN=C(C1=C(SC(=C1)Cl)Cl)C(=O)N2CC4=CC=C(N3CCN(C)CC3)C=C4,NFTXRNQHZMBIGP-UHFFFAOYSA-N
-C1A13AA5CF67C9F7_934DFD961C94FE65_6038_UN,CCN1CCN(CC1)C(=O)CNC(CCC2=CC=C(CC)C=C2)=O,NDYKWMZXGIDOGF-UHFFFAOYSA-N
-C35EBB01CC4847A6_E12F139FE3E199E7_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCOC)CCNC3)=O,ZUDVKJPUMMCUTO-UHFFFAOYSA-N
-C41641E16789E4E0_A0F909CAD901841B_6029_DP,CC1CN(CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=C(C=CC=C4)F,HLTBVEWKZNTSQN-UHFFFAOYSA-N
-C4B27FD91205AF29_08729E9D6320682F_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C=C3OC)=O,IZVQRYSFXPXRHP-UHFFFAOYSA-N
-C4FDFDBB5251B107_87B644F8CF602832_6028_UN,C1CC(CCN1[S](C2=C(C=CC(=N2)C3=CC=CC=C3)C#N)(=O)=O)C4=CSC=C4,MWCFQFIWKOYXLD-UHFFFAOYSA-N
-C532CF40ED1AB8E6_6F3444ED19C258CC_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(OC)COC3)C=C4)(=O)=O,XOVKZWDYGUGXNJ-UHFFFAOYSA-N
-C6B595274BA15EAA_5A3AA654D33389AD_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=CC=C([Si](C)(C)C)C=C2)[N]3C4CCCC4,FRDHVBSTQSPFPO-UHFFFAOYSA-N
-C7602903A1588360_9D411FD65398BD3D_7017_UN,N3([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CC(N)(CCC3)C4=CC=CC=C4,RIBZFDXZSAXZDG-UHFFFAOYSA-N
-C7867CA42DE7E257_5C314B3680264880_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,NVRLRIMJSRWAJP-FQEVSTJZSA-N
-C7BF788C7E034066_EB426140890F5CB3_6038_UN,CN(C)CC(NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C3=CC=C(C=C3)C,HKHMMITWSXUNAO-UHFFFAOYSA-N
-C8D4A46EA0D944F0_0CD02A3EE5EDAA93_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(COC)(C)C#N,JHXKLOCREMMWBM-UHFFFAOYSA-N
-C904CA15D321C44D_CD788E89C22E96CA_6029_UN,N([C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,FLFJBQLRIPPQPU-SJORKVTESA-N
-CA02E94EFC48976B_7569896DC329FE0C_6041_UN,C1(=CC2=C(C=C1)COC2)NC(C3=CC=N[N]3C)C4=CC=N[N]4C,WWKBAUHVNADGPN-UHFFFAOYSA-N
-CA492C6202BF9D28_E0B1510CC5139EC0_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,RLZKSYJKKNGJLU-UHFFFAOYSA-N
-CC8637DCFF10D0A5_E9DF5B02612D1456_6029_UN,C2CN(CC1=C(C=CC=C1)C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,OTGNFIFMTGXYLT-UHFFFAOYSA-N
-CC90C5E57101157C_6E2942067A98E8B5_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N3CC(C)(C)C4=C(CC3)C=CC=C4,ULNBQFWOCQJRJU-UHFFFAOYSA-N
-CD5D2B7A8F76F138_79B7C8AC939ABAD6_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=CN=C(C=C3)C4(CC4)C#N)(=O)=O,FPIFYVVBFOFLHW-UHFFFAOYSA-N
-CD97ADC2EF3FCE34_C6C300737DF0A1AE_6038_UN,C[C@H](NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)COC3=C(C=CC=C3F)F,HTGWRMKOZCQRRM-NSHDSACASA-N
-CDA06E107141A9BB_36C04BF8DDD0C490_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]4C3=CC=CC(=C3OCC4)C,VBILDMXQYMMZPT-KRWDZBQOSA-N
-D0E60A0A724173F2_57E11E3413A3D084_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(C(CC)(C)C)C)=O,AJAGAUZMWFJFHT-UHFFFAOYSA-N
-D1C1291F21C6DB14_08BB044E29A17051_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3OCC[S](C3)(=O)=O,HQDXZKYFCLUBRQ-UHFFFAOYSA-N
-D379C51A767B2EC0_915B15E829463270_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,CTVLVLMTKQBAAL-KRWDZBQOSA-N
-D3F98A8A71F06428_C9631D05FDFD8DC9_6029_UN,C#CC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,AYNXMMUZMKDCTD-UHFFFAOYSA-N
-D42FA620CC04D8C4_EEA38D7AB0F1398A_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC(=CC(=C2)[C@@H](C)O)F)(=O)=O)C=CC=C3,YUYHOHBAEMKSLZ-CQSZACIVSA-N
-D4714F007FF252AE_99FEA5863BC27D49_6029_UN,CC1C4=C(N(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C=CC=C4,XDMGNEFWOWKJEF-UHFFFAOYSA-N
-D490CEEAEF53E19C_1B70A48408B3F8B0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(OC)(C)C)C=C2)=O,XTKLNZPFXTUGDX-LBPRGKRZSA-N
-D4FEE3E20836D255_99CCEBF97A7A8BF9_6038_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C(C3=CC(=NC4=C3C(=O)NN4)C)=O,DQVXBQWBFKROGZ-UHFFFAOYSA-N
-D51EE3189E9B8BA6_D01FF02974082B26_6039_UN,O(C(C1CC1)C2=NC=C[NH]2)CC3=CC=C(O[S](F)(=O)=O)C=C3,UVAXLKJGPMGXBV-UHFFFAOYSA-N
-D7C6781A33883259_C33C764AA058D9AA_6038_DP,CCOC(=O)C(NC(C=C([P](CC)(=O)O)C)=O)CC1CNC1,WXDAUZVLAWJYIZ-UHFFFAOYSA-N
-D857F61249101BFA_0A4DAD2F457CAEFF_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C)CC3C4=CC=CC=C4,ISQQORFTVCUORM-UHFFFAOYSA-N
-D9AB477091D4E8EA_395CE88FB98B593D_6029_UN,CC1CC(CN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=CSC=C3,OAMHHCRFSIOLLP-UHFFFAOYSA-N
-DBC89520015040B7_8AB62D84564039A2_6034_UN,O=C1N=C(C=CN1CC2=CC(=C(N(C)C)C=C2)F)C3CC3,QDXFHEOFDWBBDJ-UHFFFAOYSA-N
-DD0A176A37298368_92AD0ED941B00526_6041_UN,C1(=CC=C(C=C1)OC2CC[S](=O)(=O)CC2)N[C@H]3CCOC4=C3C=C(CC)C=C4,DLMGLVDZUWCGAN-NRFANRHFSA-N
-DD2A1DA82FE21263_AC4524E10978D02E_6029_UN,C1CC(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,SXDOYEXCOUDQFY-UHFFFAOYSA-N
-DDB21C40978A9AA0_7705FF10CB593BA5_6029_UN,CC(C1CN(CC1)[S](C3=CC2=C(OCC2(C)C)C=C3)(=O)=O)C4=CC=CC=C4,KYKGMJCOBWITDZ-UHFFFAOYSA-N
-DEB27341782AC803_D22345B7BCEFC67B_6038_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,KQCJFNLFSXUORE-UHFFFAOYSA-N
-DF835161072122DD_E6E3F1A56A26F486_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N3CC(OC)(C3)C4=CC=CC=C4,SWIHUKWJRGKIPI-UHFFFAOYSA-N
-E02436C1EF6B2694_08EB900B314780D1_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC([C@@H]3C[C@@H](OC)CN3)=O,UJHSIAWFFDNEFH-YPMHNXCESA-N
-E077FB2945CFC97D_DD787D591C5E5139_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2=C([NH]N=N2)C3CC3,QWGTXEUCCRJPGG-UHFFFAOYSA-N
-E07BE00AB1150D68_6E0C364393FC2AC4_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C([C@@H]3[C@H](N(C)C(CC3)=O)C4=CC=N[N]4C)=O,GVYNLMAAAPTEIU-SJCJKPOMSA-N
-E1A8FC02462052A0_A1997872255880CB_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(C(C)(C)C)CCC3)=O,IROLYRHLVSJPOO-UHFFFAOYSA-N
-E340DA531E454036_AB0D6E46480D6BE2_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C=CC=C3,SGWXWZUEVYUNDM-UHFFFAOYSA-N
-E41B42934560258A_BC932A26C4D0B2A6_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C=C2)C#C)(=O)=O)C3=CC=CC=C3,AZQNFWYGVKEOQD-UHFFFAOYSA-N
-E46E4D00056D2834_D3B9353EDDE706DE_6029_UN,C1C=C(CN1[S](C2=NC(=C(F)C=C2)C#N)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,DGZPWLXRCLBSAY-UHFFFAOYSA-N
-E4FA22DA2CFF7D03_6276B1D45948A9ED_6029_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C4=CC=C(SC)C=C4)(=O)=O,OKRMDEAGGKNZAT-UHFFFAOYSA-N
-E5978F0A1C9E4D49_7795D0A9824327E9_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CCC(C)(C)C4=C(C3)C=CC=C4,HWOKRACPWNOLNI-UHFFFAOYSA-N
-E5F0C63AEE7AE821_DA2CE3BAF78C33AD_6029_UN,C1C=C(CN1[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CN=CC=C4,XQPNRJGGXNEIEO-UHFFFAOYSA-N
-E63851D31FB7236A_A41AF306CE0E0313_6041_DP,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)N[C@@H]3CN[C@H](C(OC)=O)C3,FWYYWSUCBPMTMI-CABZTGNLSA-N
-E66F47D585E9328F_36C7F63FB30A1DFF_6029_UN,N(C1=C(CCCC1)C#N)[S](C2=C(C=CC=C2)OC3=NC=CC=C3)(=O)=O,HOXNXLCLQSSVEB-UHFFFAOYSA-N
-E73F12646B834576_67B37C9268FBCCF6_6029_UN,N(C1(CC1)C2CC2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,RPYOREXVTVOEOF-UHFFFAOYSA-N
-E981F53F93B5EEC9_27444B0673B1AF46_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,FDGLAXWSUWBVOV-UHFFFAOYSA-N
-EA2BBD1697E2F012_8D8819AC3E913692_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=C(C#N)C=C3)CC4,DDHVJLAVAKXQFB-UHFFFAOYSA-N
-EC06D691AC8B3DD9_1C236338BE46B430_2201_UN,CC3CCOC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,ZODHNHOMQGFUBS-UHFFFAOYSA-N
-EC5EE406AD0151D9_1019F191818E0DD4_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)CCC2)N3CCC(C)(CC3)C4=CC=CC=C4,YKZIDNJDWBCFTF-UHFFFAOYSA-N
-EC83B0B8C9DCEA56_E34997CA325B105B_6027_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,YACXHPJICVYTNP-UHFFFAOYSA-N
-EDB9A7E7A9EB1B4B_022B357C025EB5A0_6029_UN,OCC(O)C1CCN(CC1)[S](C2=C(C(C)Br)C=CC=C2)(=O)=O,YSAIRJSIAANKRD-UHFFFAOYSA-N
-EF18446F65F6BAE1_E790815B1C3B16CD_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(CC2CNCC2(C)C)=O,DSELONCOXPLAAJ-UHFFFAOYSA-N
-F0D3FBD9404412A9_988374CDF8BB8ADE_7015_UN,N(C(C1CCCCC1)C2=CN=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,QDTSVBXBNAOFDM-UHFFFAOYSA-N
-F6E6249580B6EC85_A6C24338F25DA182_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,GYDXPCKAYJGBRE-UHFFFAOYSA-N
-F809230E89F0565B_547B4EB843DE58E4_6041_DP,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC3(OC)CNC3,PKZZVXVDNPNCMJ-UHFFFAOYSA-N
-F8169697998CBDF2_43233CF286F2F570_6041_UN,FC2=CC(=C1OCOC1=C2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,CEWCBMXIVNFYDP-UHFFFAOYSA-N
-F8C85548C865A741_F37678EB33F8CB8C_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,HAFFVOOSVJUPHF-UHFFFAOYSA-N
-F99D7441C2D92D0F_DEE237170A0C9051_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(CC(O)C3CC3)C=C4)(=O)=O)C=CC=C5,RZAHQHOTYBDFIY-UHFFFAOYSA-N
-FB3FFEDC155831D4_AF4962D4071D7709_6038_UN,O(C1=C(C(=CC=C1)Br)Cl)C(C2=N[NH]C(=C2)C3(C)CC3)=O,GPLPUIOJSZIFGU-UHFFFAOYSA-N
-FBC870B5C7C8CB1D_B8A245CFC2158036_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC(=NC=C2)C3CCC3)(=O)=O,VXVZTCIQJNLPFM-UHFFFAOYSA-N
-FBE21BCFE7919F37_C6BEF910FF92528B_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CC3)C4CCSCC4,AVLSXCHHQSPGTO-UHFFFAOYSA-N
-FD674BEFCE6682F8_FC976497CDCD89EA_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CC(C)=O)CCNC3)=O,BLPOTKUBPCZQLP-UHFFFAOYSA-N
-FE009E4FC3EB5105_D4572C9DF8A5B54A_6029_UN,C1N(CC=C(C1)C2=CN=CC=C2)[S](C3=C(CC(C)O)C=CC=C3F)(=O)=O,RWQDNRXTNRKDEI-UHFFFAOYSA-N
-FE5BFB1514AA0413_1F46FFD62438379F_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NC2=C(C)C=C(C=C2)N3CCSCC3,CRRYVCMZLHBXST-UHFFFAOYSA-N
-FE97302765BCC753_49AB9BB36EAB1DF7_6029_UN,C1CC(CCN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)C3=CC=NC=C3,OWPCJZPAUSZSTP-UHFFFAOYSA-N
-FF072D98E271982D_9DD9DDCF0B0B53CA_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=CC=C2)C#C)(=O)=O)C3=CC=CC=C3,SZVLTKGZJSCIAJ-UHFFFAOYSA-N
-FF710C8EE0C50E07_68F6E6AEABAB84AA_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,PFGBZERPVVUHEN-DMKPSLHHSA-N
-rxn:2:100207:148294,CN1CC2(CCN(c3ccc(NC(c4cccc(S(C)(=O)=O)c4)C(C)(C)C)cc3)CC2)C1,JFFWYEAOHALTLM-UHFFFAOYSA-N
-rxn:2:111757:72283,CCN1CCS(=O)(=O)c2ccc(NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)cc2C1,WZLCGNKCRONWBS-UHFFFAOYSA-N
-rxn:2:124611:162580,CCC(Nc1cccc(N2CCN(CCOC)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,MTZCDTRAFBMKTJ-UHFFFAOYSA-N
-rxn:2:66901:68336,CC(C)Oc1cncc(N2CCC(N[C@@H](CC3CC3)c3ccc(S(C)(=O)=O)cc3)CC2)c1,PHEMATYHEHTUHR-VWLOTQADSA-N
-rxn:2:85575:103302,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCC(C)CC2)cc1,RFDPKGCCYWBYSF-UHFFFAOYSA-N
-02E38FD83C18CEF5_C087DD8BA975CC1C_6026_UN,FC1=CC(=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,YHJFLQDZOJHQMU-UHFFFAOYSA-N
-0387E2854E1C5FD2_CCBDD665A8B66CC4_6029_DP,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC=CC(=C2)C(C3CCNCC3)O)(=O)=O,KQEBRUAAKJMMGO-UHFFFAOYSA-N
-04565ADE1D8932F6_07E2F1C0D9517900_6038_DP,CCOC(=O)C(NC(C1=C(C(O)=O)N=CC=N1)=O)CN(C)C,WAISSMWGBYWRHY-UHFFFAOYSA-N
-06A0EB6941584510_C514D260C7AC6440_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,BKBCFJYFKGRUJJ-UHFFFAOYSA-N
-071AB5164EEFD896_17EF064816E228F2_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H](C)C(=O)NO,ZSIQRHIJPXXMJL-PVSHWOEXSA-N
-08E70DDB8B1B6A72_B3FFB78525D7A3C2_6038_UN,O(C1=CC(NN=C1)=O)C(CC(CC(OCC)=O)(C)C)=O,BCEAUJGUESGCDE-UHFFFAOYSA-N
-0926898C52F20C89_CD07A038C5CCA62C_6031_DP,CN(C)C[C@H](N)C(=O)OCC2=CC(=O)N1C=CSC1=N2,HTNDUSVWGUDEEP-VIFPVBQESA-N
-0A3A97690605F518_BFF54092926269FA_6029_UN,OC1(CCN(CCC1)[S](C2=C(C=CC(=C2)C)[N]3C=NN=N3)(=O)=O)C4=CC=CC=C4,HMNHFLQFZFIJJF-UHFFFAOYSA-N
-0ACBADA529B54516_5F267521DD148FA8_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C(CCN(C)C)=C)=O,IPJIZUQPYGFPAI-UHFFFAOYSA-N
-0C47B9C6647EB222_B4B896B77BD6B644_6038_UN,CC(CNC(C1=C(NC(OCC)=O)SC=N1)=O)[S](=O)C,MPJWECFCFYGLNW-UHFFFAOYSA-N
-0C911ABB1C158A7B_E679E8EE9F05783F_6026_UN,CC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,VMZQZFGVHPEGTC-UHFFFAOYSA-N
-0E9C62964BE81D68_B49D1ED01B83E0E8_6038_DP,OC(=O)C[C@H](NC(CC(C(OCC)=O)C(=O)C)=O)C1=CC=CC=C1,KVMSQTLCTZXWKY-KZUDCZAMSA-N
-0EC236B7E7066673_80C03CCBAAC279D3_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2C3=C(OC2)C=CC=C3,YRCKSZCDOODACB-UHFFFAOYSA-N
-0F842B7ADD91E2B7_A5B6243C9DE4A19F_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4CCN(CC3=CSC=C3)CC4,ILIQXODSLRGCAK-UHFFFAOYSA-N
-1008B05F1E16222B_599871AFBBBB8C45_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)(CCC3=CC=CC=C3)C#N,FEGHYMDUDNGTJD-UHFFFAOYSA-N
-10558C76A36A9DFE_45BE50FAFC05FC96_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,HYELIGLFRPFOQU-UHFFFAOYSA-N
-10785F0E2905D8F1_0F87275C40E42D9E_6029_UN,C1CC5=C(N(C1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O)C=CC(=C5)C6=CC=CC=C6,BHFNNVDNAZRQSI-UHFFFAOYSA-N
-123F29A820029496_A63749DFE266A5A7_6039_UN,O(CCCN1C(=O)CCC1=O)CC(NCC(NC2=C(CC)C=CC=C2)=O)=O,SPZTUAZXADNSRL-UHFFFAOYSA-N
-16BE1833394022E5_EE3C72D7F9BD977F_6036_UN,NC1=C(N=CC=C1)N3CCC(CN([S](C)(=O)=O)CC2=C(C=CC=C2)Br)CC3,GSXKTVQYSMYWKX-UHFFFAOYSA-N
-1950336B1AC00FB5_E8D16D897004B99E_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F,GFWKOYTYKLJKFB-KRWDZBQOSA-N
-1AD2F64D0A7D3EB8_B6AF47EE4966F98F_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=C(Cl)C=C3)C=C)(=O)=O,JWYOGNCPQTWRQK-GXTWGEPZSA-N
-1C1E85CA57DEE024_3ED0D35F1A6C2C63_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC3=C2C=CC=CC2=NC(=C3C)C,NINNRRMTRRFYJF-UHFFFAOYSA-N
-1DD24AD75C61711C_EF46EB2334236C2C_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,TZMMWFDIWIYEPP-UHFFFAOYSA-N
-1E7B1AB5FF7F490F_F098C1B9CA093188_6041_UN,CC(C)C1=NC(=CC(=N1)NC2CCOC3=C2C=C(C=C3)F)C(C)(C)C,ZKAGKFSCPPRFKE-UHFFFAOYSA-N
-1EC1D071AD32D8B2_5C53D6EA839F8BFF_6036_UN,C(CC(F)F)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,DLUWIAAFQSXULR-UHFFFAOYSA-N
-1F58435AD84FE34C_5FBC67A1CE7560F0_6029_UN,N([C@@H]1CC[C@H](CC1)C#C)[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O,BXWRKZJEUTXVNT-ITGFMWSFSA-N
-2037673C955E7607_87FD7A224B365DDC_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC)CC(C)C)=O,JHFCLEJECLZFFP-UHFFFAOYSA-N
-21D0992F88E21F31_200924705049FE20_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=CSC=N4,JOEPKSKCBWNRJU-UHFFFAOYSA-N
-23EE332C9C4F997E_78BE745717240933_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,MVHKHQYXQCCUIE-UHFFFAOYSA-N
-23FBA6E5FDD86FB2_E31877624C781273_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)CN4CCN(C(C)=O)CC4,BLLNLOXSAAKMGJ-UHFFFAOYSA-N
-249EC864A0BE43B3_35253D4E95338046_6028_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=NN=C([N]3C)C4CC4)(=O)=O,USPXTCJLJLXGDV-UHFFFAOYSA-N
-24F615E578A38E5B_C473F7A026874640_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=NC4=C3C=C(C=C4)Br,NTQMERKCUYGIEL-UHFFFAOYSA-N
-2744916B606E6336_A7FC16484FEC1298_6038_UN,O(CC[N]1C=NC(=N1)[N](=O)=O)C(C3(C2=CC=N[N]2C)CC3)=O,UMOVTTNJCSQKJG-UHFFFAOYSA-N
-28C8AD0A4D34146B_B598F19651D9C01D_6041_UN,COC1=C(C=CC(=N1)N[C@@H](CC(=O)O)C(=O)O)C(=O)C,FPNFHSVQNUKZMY-QMMMGPOBSA-N
-28F151C26E5EA8B5_89C262E96CD83D14_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=NC(=CC=C2)OC3CC3)(=O)=O,ABYWXDXVBDEIIL-UHFFFAOYSA-N
-28F8188A71C24B3B_973E193CCE2F7FE5_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,MNPLKFHJAOVFNL-MLGOLLRUSA-N
-2A07C307223AC8CA_D9A39729487F7824_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)N[C@@H]2C3=C(OCC2)C=CC=C3,VBDUOKFOEYPXAS-IBGZPJMESA-N
-2A50A346596E5179_30EA646884225141_6038_DP,CC(C)[C@H](NC([C@@H]1C[C@H](CC(OC)=O)CN1)=O)C(=O)N(C)C,RGUCUIGMSLKRIJ-MDZLAQPJSA-N
-2BFC646951F5F27A_DF75FB5C08D059A2_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=CC(=C(Cl)C=C3)Cl)C4CCCC4,KFTDHLRKEITABO-UHFFFAOYSA-N
-2CB558142629C155_B1E60D98D0A8CDB6_6038_DP,OC(=O)[C@@H](NC(C1=CN=C(NC(C)=O)O1)=O)CC(=O)O,XLHQZCUGXLCXFJ-YFKPBYRVSA-N
-2DD916D10F8AA17F_5D3AE41E019878D4_6041_UN,C[N]1C=NC2=C1N=C(N=C2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,BHUYCGVHLWWYPI-ONGXEEELSA-N
-311E69B5047BB000_EC25E8818EABC4F1_6034_UN,SC2=NN=C(COC1=CC=C(C=C1)Cl)N2CC(=C(C)C)C,VYUDOJTXPVMLBX-UHFFFAOYSA-N
-31502E0C787D7D87_67DFDDC3768F6CB1_6028_UN,N(C1=CC=C(C=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,SFDKZUAWUYXRQC-UHFFFAOYSA-N
-31FC71E0C925D5C3_A327382479F8479B_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=C(N=CC=C2)OC3CCC3)(=O)=O,REUMHJGROXNVBA-UHFFFAOYSA-N
-32FD28F37182BF7C_101AF4903F52F5B1_6029_UN,N(C1(CC1)C#N)[S](C2=CC=C(C=C2)CCCC=C)(=O)=O,OHWQQVSNAXCPJE-UHFFFAOYSA-N
-35345BCA52659BC8_5029CB640742EE2E_6028_UN,N#CC1=CCN(CC1)[S](C2=NN=N[N]2C3=CC=C(C(C)C)C=C3)(=O)=O,JCKOXXIVYMEGOQ-UHFFFAOYSA-N
-375DE47957907FF2_B2AC715431A84EAC_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC5CCN([S](C4=C[N](C)N=C4)(=O)=O)CC5,LLOYOWJNCOLWBA-UHFFFAOYSA-N
-379A8C2CD158F1FD_6E5BC929B7A3D60F_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N4CCN(C2=NC=CC3=C(Br)C=CC=C23)CC4,SGPFYEPEODYDQE-UHFFFAOYSA-N
-38DB5589BC5FB054_34EE8D3358F47107_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,AVILKXFRPMRQGF-UHFFFAOYSA-N
-38DBD20CDBC82FA4_4FCDD54C832A899C_6038_UN,CN(C)C(=O)C(CNC(CN1CCN(CC)C(C1=O)=O)=O)C2=CC=CC=C2,JRCVECVEXCDOAO-UHFFFAOYSA-N
-3B1221074DABF016_80DC0BF1CE772957_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)CO)[S](C3=CC=C(C(C)C#N)C=C3)(=O)=O,CXOZSPQEZJIQIS-UHFFFAOYSA-N
-3B334C1FFC7205C6_7820B1F7EA06ED0D_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCC)CC)=O,FKTSXMOKGGKRCF-UHFFFAOYSA-N
-3BF2311D7D7A8C41_363BB644F04025B8_6038_UN,CCC1=CN=C(CNC(CC(C(OCC)=O)C(=O)C)=O)S1,LCFRHFJCWRZTRH-UHFFFAOYSA-N
-3BF523C2B145657A_CF9613DCDD36D39C_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC#C[Si](C)(C)C)F,QFFRSIPZFJEDJH-UHFFFAOYSA-N
-3C33A4AED87E72FF_5170BD64F0C907EF_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2CCOC3=C2C=C(C=C3)F,AASWJLKXZRJDMM-UHFFFAOYSA-N
-3C65E605DB69E412_1FCA08331730E6C6_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C)C=C3)C(=O)N4CCCCC4,YYBAVDZNGURXHD-UHFFFAOYSA-N
-3D28639EE7E8D180_86EA5EEDA5FFF25E_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC3C2=CC=CC(=C2OCC3)C,QZHHCQDNFLJPDJ-UHFFFAOYSA-N
-3DD5EEF8B20C8575_EA44E354C62B407E_6038_UN,CC[C@H](C)[C@H](NC(C1ON=C(C(C)C)C1)=O)CN(C)C,DDKFFFBRLJACMQ-MKDGSZCOSA-N
-3F776007A80DBFC5_BCBEAB0B0C0FA597_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)CC(N4CCN(C)CC4)=O,VYIFHZYKQKBMFP-UHFFFAOYSA-N
-3FD2C66692281F59_785B9E768C1673A0_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Cl)[S](C3=CC(=C(F)C=C3)C=C)(=O)=O,CRHQPCJFJJRVTE-MLGOLLRUSA-N
-405828D01B55D249_6A8F96109709CB51_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3,LOFGMXCUAIQQSO-CRAIPNDOSA-N
-4154F58A5F9FE34B_17FD36A46A14C348_6031_UN,CC(C)C1=NN=N[N]1CC(=O)OCC2=CC(=C(N(C)C)C=C2)F,FDHLCWHYZYSOIK-UHFFFAOYSA-N
-442E914416388940_635FA87AF3EB5F7E_6029_UN,N(CCC1=C(C=C(C=C1)F)Cl)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,VCMUXNGAODLZBX-UHFFFAOYSA-N
-45614E25EE89B878_876ADD5E1FD73A9A_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O,QWVCWSXBEHCIGW-UHFFFAOYSA-N
-4696BD7E73BB4853_20A45A2DB8DD722E_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4(C3=C(C=C(C)C=C3)C)CC4,SOWBOCGYMUCXKW-UHFFFAOYSA-N
-498CDDA1143E4FD0_BEAF6AEA70714B67_6038_DP,CCOC(=O)C(NC(C1=C(C(O)=O)C=CC=N1)=O)CN(C)C,JIONMVHKWLQKOL-UHFFFAOYSA-N
-4B98944807D847F7_D45914FAFD7632D3_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCCCC)C)=O,LBOYKEKIJBWHID-UHFFFAOYSA-N
-4C9B0A7AFB0BDD5F_762AE7C574EA20BF_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,IWRXKQNDLKCLMW-UHFFFAOYSA-N
-5086F1C3F8BF8987_B650EB84743725DB_7015_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC=C(C)C=C2)(=O)=O,NYXMFDSYVQXZHJ-UHFFFAOYSA-N
-50E63065CAB1225D_3BC517E88ECB39FA_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C([N]3C)Cl,KMWXFXBUPGLLQU-UHFFFAOYSA-N
-519A9AAA6B48590A_019AE37806A2B410_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,DINSJCVBSKBWBW-MLGOLLRUSA-N
-5731C07B73FE7A96_F02272298963590A_7019_UN,C(C1=CSC2=NCCN12)=CC3=C(C=C(C)C=C3)C4=CC=N[N]4C,HQHUXBMRBUXHRT-UHFFFAOYSA-N
-5847E2B751F26F9D_7E1E4EB686BCE3F2_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC2=CC=C(CC)C=C2)=O,AROAMMGBLCTCLU-UHFFFAOYSA-N
-594C3C0E23D05310_4E3EF7F71D98D86C_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCC)CCC)=O,OTIIJMSZGGDJHS-UHFFFAOYSA-N
-5CC90AFCC2AB841D_113F8D253F691735_6038_UN,N(CCCN1C(CCC1=O)=O)C(C(=CC(C)(C)C)C2=CC=CC=C2)=O,JDZBUBBUQQBQBE-UHFFFAOYSA-N
-60C24C87A3DAB483_AE0FAAB36C54BF6F_6038_UN,CC(=O)C1=CC(=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,JMIFHYUHZRSPCA-UHFFFAOYSA-N
-6106C8A8E1B40DFF_2C963919B71930D0_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCC)C)=O,DTRWKHWPLXKDAN-UHFFFAOYSA-N
-61F0C782524E5A7B_A3D9B1C22A59964E_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=CC(=C3)C[S](C)(=O)=O,DKLZIGSUJMBTMF-UHFFFAOYSA-N
-653ED70AA5839AA6_B9E9D228E01E5267_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,BFWLMNOFXBTXPA-NRFANRHFSA-N
-67350E318D58A4AA_454F5D999F8C7E1A_6029_UN,OC1(CCN(CCC1)[S](C2=C(C=CC=C2)[N]3C=NN=N3)(=O)=O)C4=CC=CC=C4,BXEWYVIZNBVQSL-UHFFFAOYSA-N
-677DA5621AACD484_23DF4E3D7DEED9A4_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C(OC)=O)C=C(C=C2)OC(C)C)[N]3C,WOTXYOBXNKYSRG-UHFFFAOYSA-N
-69F30274195937CA_3254537AE5F932F4_6026_UN,CC1=C(C=C(C=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,KTVNWXZMLMDDKZ-UHFFFAOYSA-N
-6A78A06E4679712F_AB04A986CC169603_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)C5(C3=C(Br)C=CC=C3)CCCCC45,KGCACONOXUJAKQ-UHFFFAOYSA-N
-6BD7F9571CA98380_62BF130C22C6A931_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3,JBFXFDZNQAZFCI-UHFFFAOYSA-N
-6C248E0B059D47EC_F37708A65BBB7F4C_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)CC3=C(C=CC=C3)Br,MKICXVPPJRGFHP-UHFFFAOYSA-N
-6DA3DADCE9554367_C5732979575B14B0_6038_UN,CN(C)C(=O)N2CC(OC(C1=C(NC(OCC)=O)SC=N1)=O)C2,HSBFMKSDIUGAAN-UHFFFAOYSA-N
-6E0FD94EA75FD610_68413620D6776CDF_6029_UN,OC1(CN(CCC1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O)C5=CC=CC=C5,UWQGBZXAPCDYFO-UHFFFAOYSA-N
-6EDFED478C04CA7A_DAD2750B6518CFCC_6041_UN,CC2=NC1=C(C=CN=C1N[C@@H]([C@H](CC)C)C(=O)N(C)C)[N]2C,SLIDMVZUOCLTQJ-GWCFXTLKSA-N
-70B782E033C16E5C_BC00657F983D78B5_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2NC(CCC)C(=O)N(C)C,VNOJUWJTNCJYLU-UHFFFAOYSA-N
-710AF9F9BB288639_E59C4402DF4B8A97_6029_UN,OC1=CC=C(C=C1)C(=O)N2CCN(CC2)[S](C3=C(C)C=CC4=C3N=N[NH]4)(=O)=O,VAAAPYKIYDLFHQ-UHFFFAOYSA-N
-72E5039FE58CBCE9_163943BA1A08DBD5_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(CC2=CC=CO2)C(=O)O,OFANOFGKHGGYSS-ARLHGKGLSA-N
-7350835D15F3A53D_CC25C6605044459F_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C(=CC=C3)C,QAUBOZYIACSVOD-UHFFFAOYSA-N
-74705BF13FA735AC_071A21909BB09BB4_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C(C)F)C=C2)(=O)=O,NWFDOETUOJPWNF-UHFFFAOYSA-N
-749F93BD5F47A5E3_354C686B5B752325_6029_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC(=CC=C2)C=CI)(=O)=O,YYQSCTHFJXRACC-UHFFFAOYSA-N
-752C2BD5F681C4E4_F3251DD86B1C5CE2_6038_UN,CCC(COC([C@H](OC)C1=CC=CC=C1)=O)C(=O)OC,DIORUYILFIGZLY-GLGOKHISSA-N
-77AA3029FCDC6323_B752AFFEA7F35DE7_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC2CC(C)(C)OC3=C2C=CC=C3,CXOUWBWXQKXGSB-UHFFFAOYSA-N
-77FEB65613927D66_92C229E7E327516F_6038_DP,OC(=O)CC1=C(C=CC=C1)NC(C3(C2=NN=C(C)[N]2CC3)C)=O,UIEZSAXANKDKJG-UHFFFAOYSA-N
-78B4905A111DA651_A2CEC0DCCD271FD3_6026_UN,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=C(C)C=NC=C2)CC3,ZJBXAWNSFVHQEG-UHFFFAOYSA-N
-7B908C32D73D0E59_FC006EAAA40C3CCB_6035_UN,CC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(C2CC2)C3CC3,LSOFOTXLXQAQTL-UHFFFAOYSA-N
-7CCA419723DB1AC3_033DC223DF5D7420_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4CCN(CC3=CSC=C3)CC4,AVWUWXOOIBTCHF-UHFFFAOYSA-N
-7DC8096A48625E22_A56D96B54CC502CA_6028_UN,N(C1=C(N=CC=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,KKBUHVJUCBXWSW-UHFFFAOYSA-N
-7EB915E7AD75E415_54380A067952C5AD_6038_UN,CC(C)C1=N[NH]C(=C1)COC(C2(C)COC(=O)OC2)=O,AUMRVUYMXJMBFM-UHFFFAOYSA-N
-80D6D33556D7897C_E2439639BDF7B30C_6038_UN,OB1OCC2=C(C=CC=C12)OC(C(C(C)C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,DTQBIAVSOHHDBP-UHFFFAOYSA-N
-80DD4658EC536554_3C6725F53FDBEF22_6028_UN,N(C1=CC(=CC=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,IZDGFLMAWBXYGK-UHFFFAOYSA-N
-80E6CABAAB97BEBC_E879C411DE0919D6_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)NC(C)=C(C#N)C(=O)O,SSMWQHFXYFCGLE-UHFFFAOYSA-N
-816F603C2B01F7BB_4D929EB0B53BF7B3_6029_UN,OC1CN(C1)C2CCN(CC2)[S](C3=CC=CC(=C3)C(O)C4=CC=CC=C4)(=O)=O,SZHBVNSHSQNNLG-UHFFFAOYSA-N
-819B6F2425212E4F_7E9E4C25A68F3DBC_6028_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,BQQGYYXPUIHNDP-UHFFFAOYSA-N
-82E5EDCFB38B8DBC_43043AF5A3F8C9D2_6038_DP,OC(=O)CC1=CC(=CC=C1)CNC(C2=C[N](CCCC)N=N2)=O,UOZMWYZKOAHJNS-UHFFFAOYSA-N
-83D2E960DA0F4C75_34781BFC2D2B1BD9_6041_UN,CC[N]1C=NC2=C1C=CN=C2N[C@@H](C(C)C)C(=O)N(C)C,FUFGURIYBIWZPT-LBPRGKRZSA-N
-84B44361422FC368_6CAB28E19BE3C1B7_6029_UN,C1CC(CN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)OC3=NC=CC=C3,DTSMPFPYGQRSGH-UHFFFAOYSA-N
-85B664CB91BA4353_18B5727535C0BDFA_6041_UN,C[N]1N=CC2=C1C=CC(=C2)NC(C)CC3=C(ON=C3C)C,PYDIIAGOJQTGBJ-UHFFFAOYSA-N
-881480791A88BC26_A0E541F01533A05A_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=CC=C3C(=O)N4CCCC4,TWKKZDUQPGZNHF-UHFFFAOYSA-N
-88CD64203805ACA1_1520B6861B7F8EC5_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3,BRSHDUSQIQBHFF-UHFFFAOYSA-N
-8D1B8342090C5D3B_2A6D606343455132_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,PAUPXAKSKFYLBR-UHFFFAOYSA-N
-9007E524A9B1F11D_BAF01E29524CCA9E_6028_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O,XQTRZHYRLIBMOW-UHFFFAOYSA-N
-938FA5DC2D3C64BC_2FFE51452D213C2D_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NC(CCCOC)C(=O)N(C)C,SNUVEWHMQAWHSH-UHFFFAOYSA-N
-9442087EE5110017_201BDD2C3E45F25F_6026_UN,FC1=C(C=CC=C1C#N)[S](=O)(=O)N3CCN(C2=C(C)C=NC=C2)CC3,UWNCDTHSYXRXEX-UHFFFAOYSA-N
-96A41CCAFFC73C98_AC65F83B1099CB41_7019_UN,C[Si](C)(C)C#CC=CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3,JHSKBUAPQJESPK-UHFFFAOYSA-N
-9AE9BCF673A1121B_7D0BE88F58E704E1_6026_UN,CC1=C(C=C(C=C1)C#N)[S](=O)(=O)NCC2(CCC2)C3=CC=NC=C3,HMQQHACNHQOQBO-UHFFFAOYSA-N
-9B76B77B39068D11_7E58BA511B23652B_6038_UN,CCOC(=O)C(=CCNC(CCC1=CC=C(C(OC)=O)[NH]1)=O)F,XGZOYCMQJVTAPI-UHFFFAOYSA-N
-9E8565D67A9C887A_052C3D2846C44868_6031_UN,O(C(=O)CC[N]1N=NN=C1S)CC2=C(N(C)C)C=C(C=C2)Br,NKEADEZUFBBAMA-UHFFFAOYSA-N
-9EAF73BB0C2B672B_B249B78B683C0DEF_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCCCCC)C)=O,MACWKSAIVNHDCA-UHFFFAOYSA-N
-9F968EC694179432_454104454456050B_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@]3(C[C@@H](CN3)F)C)=O,FOVCGBLUYNLUKR-QFYYESIMSA-N
-A0B59256BCDECA36_0F19304E3FB072AF_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(CC)=O)C=CC=C3)(=O)=O,OEQDGBVGHSIDGD-UHFFFAOYSA-N
-A1EAEFEFE5EA6F89_3057932C9A4CBA70_6038_UN,CN(C)C3(CNC(C(N1C(CC(C(C)C)(C)C1=O)=O)C2=CC=CC=C2)=O)CC3,BIECFNZYOOFFNS-UHFFFAOYSA-N
-A300656764C19D3E_C1F0E3FC59715F34_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCCC#C[Si](C)(C)C,CJVKTSNWBVOWMQ-UHFFFAOYSA-N
-A3591ADB2D6345E1_33C8B623090A07BA_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=CC=C3,YXEQNGJQSCPKAM-UHFFFAOYSA-N
-A3639F6738CCB2E4_CE79B8DC563DB949_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O,GVVUUMBXEBTIMV-UHFFFAOYSA-N
-A36B9A1A9F6F2F7A_AAB1904DD8222997_6038_DP,OC(=O)C1=CC(=CN=C1)NC(C2=N[NH]C(=C2)CCCCC)=O,FLBCCHUAFPSTMG-UHFFFAOYSA-N
-A5143635FA66EE13_C16CDB49A02FB063_6038_UN,C[N]1N=NC(=N1)COC(C3=NN(C2=CC=C(C(C)C)C=C2)C(CC3)=O)=O,FXDHGLDTKBLTNL-UHFFFAOYSA-N
-A5E4D24DA55E16B5_1147234AEB999291_6026_UN,ClC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,FSXIKURJSNTRLE-UHFFFAOYSA-N
-A6572B1B7F5B0266_C60D332023A70C29_6028_UN,N(CCC1=CC(=CC=C1)C#N)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,VGNKBHVNMBENKC-UHFFFAOYSA-N
-A688C1542FA765E8_8118A94C09AE25B5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4,HEUKTMXDSMTREQ-UHFFFAOYSA-N
-A8DE5DE4502BA20A_9308431649244A79_6038_UN,CN(C)C(=O)C(NC(CN1CCN(CC)C(C1=O)=O)=O)C2=CC=CC=C2,KQQGZWPRHACSHL-UHFFFAOYSA-N
-A9AD1C699BEC8DB4_66ADCE0D80B42DD2_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(C(N3CCC(C)CC3)=O)C=CC=C4,HONZINYXQHEDDK-UHFFFAOYSA-N
-ADECE5390ACB842F_35C6795623D5745D_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCC(N3CCN(C(C)=O)CC3)=O,XHEVQBPWNMGMDF-UHFFFAOYSA-N
-AE9762A8123BE6BD_9B7FA92B27564243_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=NN=C(C)[N]3C4CC4)(=O)=O,LJXLOKJPQKAJDS-UHFFFAOYSA-N
-AFAC1A295DD31FAB_2951A5D4BA0F9796_2875_UN,N3=N[N](CC2COC1=C(C=CC=C1)O2)C=C3CC(C(C)=O)C(=O)C,NVGSMIMZANELRA-UHFFFAOYSA-N
-B367DA42ACB36A97_916853C86D2D1FE7_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=C(C(C)C)C=CC=C3C,WTVRLSUQWLVHRL-UHFFFAOYSA-N
-B5B13693807A2962_0BB5A06F47584C8D_6038_UN,CC(COC(CCN1C(N(C)C2=C(C1=O)N=C[NH]2)=O)=O)N(C)C,WMAXIBVOZVATCR-UHFFFAOYSA-N
-B69C02E79C102CFA_ED119D9C8B4289EE_6038_DP,CC[C@H](NC(=O)C2=CC=C(OC1=CC=CC=C1)O2)C(=O)O,UZSOFDUAVMPQIZ-NSHDSACASA-N
-B8FAFD551EBBCD14_1E24754BD51302D2_6031_UN,C[N]1N=CC(=C1)CCC(N)C(=O)OC2=C(OC(C)C2=O)C,HQKFMWUZUZTIOZ-UHFFFAOYSA-N
-BBF3008B23164019_362282815FF0BF8D_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H](CCC(=O)O)C(=O)O,IVQFIQHGZIHMFN-DTIOYNMSSA-N
-BDC4CEA3A66E20F0_516C841B3DF1B0BA_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4CCN(CC3=CSC=C3)CC4,GMVZILGGFNKFJA-UHFFFAOYSA-N
-BE167777086A61E7_DD3A046392F241B0_6038_UN,C[C@H](CNC(CCCC(N(C)C)=O)=O)C1=CC=CC=C1,UWYPFSFRSDSFFQ-CYBMUJFWSA-N
-BE72AF336D08BD3D_AA2B8E227D9F777C_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)CN4CC[S](CC4)=O,BHPQKQGHLJRQBG-UHFFFAOYSA-N
-C034BADC5265CD74_2AD855D635847DAA_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC3=C(C)N=C2C(=CC=CC2=C3)F,LWMUATFDOMQAEX-UHFFFAOYSA-N
-C05137FB896C6960_EFBA0CC259E24DB4_6029_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=NC(=CC=C2)OC3CC3)(=O)=O,XAAZJEVULHHCQV-UHFFFAOYSA-N
-C107C24F567A88BB_0E1818C2F2F0225B_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCCC4)C#N)(=O)=O,MJMUHNDMDKFRTL-UHFFFAOYSA-N
-C15242FFF8334D4F_A68AB20FFC2AF0D5_6034_UN,SC2=NN=C(COC1=CC=C(C=C1)Br)N2CC(=C(C)C)C,KTFFFHXNXZVSOH-UHFFFAOYSA-N
-C21C8BA584475BAE_15D2FA425487D422_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC[C@@]4(C(OC)=O)[C@H](C4)[S](=O)(=O)C,MJLJPWHLZBPNPX-SCLBCKFNSA-N
-C285075BAE88F4AD_0938347D8E453F15_6029_UN,N(CCC1=C(C=CC=C1)C#N)[S](C2=NC(=CC=C2)OC3CC3)(=O)=O,ZDTHCYHTETUMCS-UHFFFAOYSA-N
-C2A23F983CFCA753_0B1685A4DCE161C2_6036_UN,CN1CCN(CC1)C2=C(C=C(C=C2)CN([S](C)(=O)=O)CC3=CC=NC=C3)F,NHSQHAFSDUJTMB-UHFFFAOYSA-N
-C3FDFB54BD41F042_B8DEDC622B5B6F05_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C[N]2C=NN=C2)NCC3CCN(CC3)C4=C(C=CC=C4)C#N,CPHYWMFNSZUHKR-UHFFFAOYSA-N
-C4E46821C8DF16FE_C48270199C0E88EE_6038_UN,CCOC(=O)C(NC(C1=C(C(OC)=O)N=CC=N1)=O)CN(C)C,XLUKZKZBOJBUKP-UHFFFAOYSA-N
-C710FD770480BEEF_927961399BEBD55C_6041_UN,C[N]1C=NC2=C1C=CN=C2NC(CC(C)C)C(=O)N(C)C,DUTNHADSVNEOBJ-UHFFFAOYSA-N
-CA8A804046EB4CDF_8B20526FBF9EB9D0_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4CCN(C3=CC(=C(C=C3)F)C)C4,TZHFSXCQXJVZHI-UHFFFAOYSA-N
-CC8B7BDA831B8F07_BE5B9B97FBB22685_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)C#N)C4,YZAHZYCIAHZCIO-UHFFFAOYSA-N
-CD580B01212BE4D2_85435087FED06472_6038_DP,OC(=O)CC1=CC(=CC=C1)NC(C3(C2=NN=C(C)[N]2CC3)C)=O,RQFHXNWYGYKQJF-UHFFFAOYSA-N
-CEFD73BB0080D358_6F59CD2F84080FFD_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC(=C(F)C=C3)C=C)(=O)=O,YOLDNOCRDJQWNG-GXTWGEPZSA-N
-D1591A4E7247F30F_8F282A3D43C052A6_6026_UN,CC1=C(C=C(C=C1)N=[N]#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,FLRJUSKKNZBLFE-UHFFFAOYSA-N
-D2713C0C2FF37C6F_1D9C6D61D8948378_6036_UN,C(C1=C(N=C(C=C1)Cl)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,RYBNJHDIDWYZPM-UHFFFAOYSA-N
-D4FCDE0AB9254B87_87A3E7F1F65A7CF2_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)OC(F)F)(=O)=O)C4=C3C=CSC3=CC=N4,IOJAKGKPODPCOV-UHFFFAOYSA-N
-D542D6DBDA6E6E55_33646E1A9B288E9F_6038_UN,O(CC[N]1C=NC(=N1)[N](=O)=O)C(C2(C(N(C)C)=O)CC2)=O,KPLIAPAJZZZCHI-UHFFFAOYSA-N
-D5A4F01C1F884177_B24E9145FFC64B4A_6038_UN,CCOC(=O)C(NC(C1(C(CC)=O)CC1)=O)CN(C)C,IWVMIRQIZDYHRW-UHFFFAOYSA-N
-D634FF14AEDC2E9C_4A2917D73AF59CDC_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC2=CC=C(CCC)C=C2)=O,ZAIHBEKCPDENNH-UHFFFAOYSA-N
-D70AF10FCE51C44D_6E251482E95BF7AA_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)O[S](=O)(=O)F,TYEMDEYGAJWRKH-UHFFFAOYSA-N
-D7BBD1194DD53641_FAED33590CCA4C4F_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCCCC)C)=O,NSTKILQHUHSJNG-UHFFFAOYSA-N
-D7EA792438D5654E_E5BAAF44D7C91592_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=NC3=C(C=CC=C3)O4,IVKYLCMUYRTMQE-UHFFFAOYSA-N
-D85770593FBC8FBB_422E4517073CB1E0_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=NC=C3,SCLSMYPRUJOAKN-UHFFFAOYSA-N
-D8FD7C27D1216EE9_86763A4A04AEED82_6041_UN,COC1=C(C=C(C=C1)NC(C)=C(C#N)C(=O)O)C2=NN=C(S)[NH]2,VQNBGZSZYPJFPB-UHFFFAOYSA-N
-DB31F4EF88BACD7F_916E4739F9FE49FC_6041_DP,C1(=CC=C(C=C1)N2CCC(=O)NC2=O)N[C@@H]([C@H](CC)C)C(=O)O,DKMQAKQKVQXSSL-HZMBPMFUSA-N
-DBA18F5D2EA7C348_FD5EB19B70DBE9AE_6039_UN,O(C1=CC(NN=C1)=O)CC(C(CC(OCC)=O)(C)C)=O,WAKBBGPUEPDQTG-UHFFFAOYSA-N
-DC6775FF87D2DE02_23F1F1CFBC8D8513_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=C(Cl)C=CC(=C2)C#N)(=O)=O,PCRHMHPJJUMERP-UHFFFAOYSA-N
-DD98D92E1CB2B724_8199E0DFAF1586FA_6029_UN,OC1(CCN(CCC1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O)C5=CC=CC=C5,JLHWCVMIRCWNSG-UHFFFAOYSA-N
-DFC82DA7EFE12550_F31F23DB2DE86736_6028_DP,OC1CCN(CC1)[S](C3=NC(=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)C5=CC=CC=C5)(=O)=O,TXJSDHNWNIVEBR-UHFFFAOYSA-N
-E162F4B2086FFD14_329ED09195FF7E26_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,QZGAXBCRJQCMRT-UHFFFAOYSA-N
-E1726D3DBC1E06AC_C274B2C69E637083_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=CC(=C3)F)C4CC4,QFVAZOMEIGQBST-UHFFFAOYSA-N
-E28D8BE14A4DB72E_F13E2577D4F6B467_7019_UN,C[Si](C)(C)C#CC=CC1=C(N=C2[N]1C=C(C)C=C2)C3=CC=C(C=C3)F,KFPVFZMPBZLJLX-UHFFFAOYSA-N
-E4D8305262916DF0_67553ADF89306374_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)O)[S](C3=CC=C(C=CC)C=C3)(=O)=O,PYSCIZSUNKZCCB-UHFFFAOYSA-N
-E546A395BDC24D8E_9A44F1D2D15939AA_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C(F)CCC3=C2C=CC=C3)C,MZTIILSOIVGNQK-UHFFFAOYSA-N
-E5A12839699C19F2_C30B722ED4404B5C_6038_UN,CCOC(CNC(C1=C(C(OC)=O)N=CC=N1)=O)CN(C)C,JNZRVMGSLBLYMB-UHFFFAOYSA-N
-E66CEEFABDF2D570_711531CC814D08E5_6029_UN,N(CCCCC#N)[S](C1=CC=C(C=CCO)C=C1)(=O)=O,NMPRNANJNDAZTN-UHFFFAOYSA-N
-E739C93E27F1FD29_E246026689BCB02D_6026_UN,FC1=CC2=C(C=C1)OC(=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,TTXVICLUOGESPX-UHFFFAOYSA-N
-EC35CA13D7992306_75BF59F182C974A1_6026_UN,FC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,CCUWBWMIXCBHRZ-UHFFFAOYSA-N
-EC51E9285F0F3E9C_D0E3496E39523AC6_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(C1=C(F)C=CC=C1)[N]2C3CC3)(=O)=O,GQAAOTANNPWTMC-UHFFFAOYSA-N
-EE4DFCC47EC8610B_5A36EF34E01A68A4_6028_DP,OC1CCN(CC1)[S](C3=NN=C(C2=CC=CC(=C2)C)[N]3C4=CC=CC=C4)(=O)=O,UTOJLVHWUDPZCT-UHFFFAOYSA-N
-EE79E12296F558F7_3714FD29D736435F_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CN=C(C=C3)OC4=CC(=CC=C4)C#N,PYZVANDNIFBGFZ-UHFFFAOYSA-N
-EE92B0ACF908C8E6_2E5F582AC168F9C8_6035_UN,CC(OC1=N[NH]C(=C1)CC(OC)=O)C(=O)OCCCCl,ZMCITVRKQLQQDG-UHFFFAOYSA-N
-EEF0EEEEF21315CF_F9045E71B1129915_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,PZEJOLASBDYQOB-UHFFFAOYSA-N
-EF7AFB6C9C794207_360DDA40562942E8_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CCC)N(C)C)=O,QDINZKFOIXSWHV-UHFFFAOYSA-N
-EFF4B426D20A4BC1_2C34CA2A152F7273_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)CC3=CC(=CC=C3)Br,QEAWXTAAMMRPKR-UHFFFAOYSA-N
-F02F18DAAD07BF32_88350985272140FF_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(C3=CC=CC(=C3)C)N4CCNCC4,MVSQSDJAFCDUDU-UHFFFAOYSA-N
-F1B3BF389F864B35_5552BAD8805BF4BC_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC(=CC=C3)OC4=NC=C(C=C4)C#N,FQWHECCWFDZIOK-UHFFFAOYSA-N
-F37411BD2CC3AF00_00965EE925AA983A_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=CC=C([N]3C=C(C)C=N3)C=C4)(=O)=O,FXZWYEAAWDEGOF-UHFFFAOYSA-N
-F383AD90FFD32D69_69847A4B2599E285_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)(C)C3=CC(=CC=C3)C#N,PRIFRIGRHTUFII-UHFFFAOYSA-N
-F506FB2C46FFAD2F_2B2B0E42F66B7C63_6028_UN,CC(C)N(O)[S](C1=NN=C([N]1C2=CC=C(C)C=C2)N3CCCC3)(=O)=O,KMKWISSTLSPYPQ-UHFFFAOYSA-N
-F549DE82441C350F_49CECE431D555A36_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=CC=NC=C3,GQNMGYFFYIFULU-UHFFFAOYSA-N
-F5C8B24D82F637E3_C351E97C4F9634F2_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(CCC)C)=O,ZIESQYLIVZJXGP-UHFFFAOYSA-N
-F65E7141BE4D459F_71C469FC52F2FFB1_7019_UN,C[Si](C)(C)C#CCC=CC1=C(N=C2[N]1C=C(C)C=C2)C3=CC=C(C=C3)F,UKJGCYFTURAJTJ-UHFFFAOYSA-N
-F7E79036F6387DE1_FBBC40D940936D6F_6026_UN,ClC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,ZUFFXDDQXFYJLJ-UHFFFAOYSA-N
-F92670B0A149FB27_324EFD40625175E4_6031_UN,CC1=NN=N[N]1CC(=O)OCC2=C(N(C)C)C=C(C=C2)Br,MEVLGIOGTGBLHK-UHFFFAOYSA-N
-F9A17FA5F35E38C7_BAD201725EB21FCE_6038_UN,CC(=O)C4=C(OC(C2(C1=NN=C(C)[N]1CC2)C)=O)C3=C(C=C(C=C3)[N](=O)=O)C4=O,USXMUXKIXKZZGM-UHFFFAOYSA-N
-FC1F7D30A7628CBC_CCAD72CC7B2D059B_6038_UN,CCCC2=NC(=C(COC(C(C(C)C)N1C(=O)C=CC1=O)=O)O2)C,FKSTUDCLDUPWLQ-UHFFFAOYSA-N
-FCC57AFE2D89BCCA_608AD054EC24A6F0_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCC)CCC)=O,BQQDSLOOKCBCOE-UHFFFAOYSA-N
-FE562DACD1C97D6B_279D1A1980E313D6_6034_UN,CC2=NC1=C(C=CC(=C1)C)N2CC(C3=C(C=C(C)C=C3C)C)N,GLNWDGAOFVPRLB-UHFFFAOYSA-N
-FF222FFF4A106182_DA746756A530030E_6026_UN,CC1=C(C(=CC=C1)C#N)[S](=O)(=O)NCC2(CCC2)C3=CC=NC=C3,YELSPMZODSDBAI-UHFFFAOYSA-N
-rxn:2:100111:166005,CCC1CCN(Cc2ccc(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)nc2)CC1,FGXZODDHZOZNKL-UHFFFAOYSA-N
-rxn:2:106200:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc(C4CCN(C)C4)c(C)[nH]3)C2(F)F)c1,FOYVLXYGTZXWMM-UHFFFAOYSA-N
-rxn:2:107912:102337,CCc1nc(NC2CCN(c3ccc4c(c3)OCCO4)C2(C)C)n(C2CCS(=O)(=O)C2)n1,BTCHIVLUSYCTQE-UHFFFAOYSA-N
-rxn:2:109150:118784,CC(N[C@@H](c1cccc(S(C)(=O)=O)c1)C1CC1)c1cccc(OC2CN3CCC2CC3)c1,CLDZYSGGWMKKCI-UQDURWBFSA-N
-rxn:2:110830:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3n[nH]c(C4CCCCC4)nc3=O)C2(F)F)c1,AASLXVPENMAGHP-UHFFFAOYSA-N
-rxn:2:111757:102337,CCN1CCS(=O)(=O)c2ccc(NC3CCN(c4ccc5c(c4)OCCO5)C3(C)C)cc2C1,VWOPYIVOOZMGMY-UHFFFAOYSA-N
-rxn:2:112566:66790,CCS(=O)(=O)c1c(NC(c2ccc(CN3CCCC3)cc2)C2CCC2)nc(C)c(C)c1C,YMLYUEKMVJDGMX-UHFFFAOYSA-N
-rxn:2:114065:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N3CCCCC3C)nc2C)C2CCCC2)cc1,QXKCFAUCLHMMPP-UHFFFAOYSA-N
-rxn:2:114185:100357,CCn1ccc(S(=O)(=O)C(C)(C)CNC2CCC(c3ccc(C)cc3)(N(C)C)CC2)n1,NKAGQVYELAKFAG-UHFFFAOYSA-N
-rxn:2:114896:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N(C3CCSCC3)C3CC3)cc2)C2CCCC2)cc1,HQEVSIZTAAIHLN-UHFFFAOYSA-N
-rxn:2:115500:79791,CSc1ccc(C(CS(C)(=O)=O)NC2(COc3ccc(C4CCCCC4)cc3)CC2)cc1,QVXKQKSMNXJSOX-UHFFFAOYSA-N
-rxn:2:121838:148822,CC1CCCCN1c1cccc(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)c1,UOYLNTDPFJQXBU-UHFFFAOYSA-N
-rxn:2:123030:151893,CC(CCNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)C1(c2ccncc2)COC1,FUZGBVAFGNODHA-UHFFFAOYSA-N
-rxn:2:128080:151893,CC(C)(C)c1nnc(CN2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)o1,MZWDGHIYWKOELO-UHFFFAOYSA-N
-rxn:2:130879:151893,CN1CCN(CCCc2cccc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)c2)CC1,UIJNUIWGDXPANY-UHFFFAOYSA-N
-rxn:2:131236:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(C)ccnc3N3CCCCC3C)C2(F)F)nc1,HBZIBNCQOMIOCG-UHFFFAOYSA-N
-rxn:2:131349:151893,CN1CC(c2ccncc2)OCC1CNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,DYWPFJZPDYLQGM-UHFFFAOYSA-N
-rxn:2:132108:151893,CC12CCC(c3nnc(NC4CC5(CCS(=O)(=O)CC5)Oc5ccccc54)nc31)C2(C)C,IWWRSLGSWSINLY-UHFFFAOYSA-N
-rxn:2:132272:151893,Cc1ccsc1CN1CCC(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC1,OKOAYKXIFNMRAQ-UHFFFAOYSA-N
-rxn:2:132878:151893,CCc1nc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)oc1C1CCN(C)C1,XWWCEWKONIWSNF-UHFFFAOYSA-N
-rxn:2:135665:151893,Cc1cc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)cnc1N1CCOCC1(C)C,MMUMVCIANHALOE-UHFFFAOYSA-N
-rxn:2:137355:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCc1nnnn1C1CC1)C2,SULFCEFVFDFEDX-UHFFFAOYSA-N
-rxn:2:138575:151893,CCN1CCCC(Oc2ncncc2NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)C1,PMCXHIURLGAATH-UHFFFAOYSA-N
-rxn:2:140944:151893,CCn1cc(CN2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)CC2)cn1,BQIYOLIGEIBCFT-UHFFFAOYSA-N
-rxn:2:141972:102337,CCn1ccnc(N2CCC(NC3CCN(c4ccc5c(c4)OCCO5)C3(C)C)CC2)c1=O,JPFRZKWQVQPLOK-UHFFFAOYSA-N
-rxn:2:143008:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(Nc1cccc(-c3noc(C4CCOC4)n3)c1)C2,MBLREZBNOQFTMQ-UHFFFAOYSA-N
-rxn:2:147482:151893,CC(CNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1nc2cc3c(cc2n1C)OCCO3,AWLMGJRPHBTDOA-UHFFFAOYSA-N
-rxn:2:149744:151893,Cc1noc2ccc(C3CC(NC4CC5(CCS(=O)(=O)CC5)Oc5ccccc54)CCN3C)nc12,DQSPJTWTFYTUGU-UHFFFAOYSA-N
-rxn:2:153595:151893,CC(C)(CCc1nc2ccccc2n1C1CC1)NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,PJAXBXJBGUVSPL-UHFFFAOYSA-N
-rxn:2:153685:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3ccc4nc5n(c(=O)c4c3)CCCCC5)C2(F)F)c1,LWGFIENHXCVRLB-UHFFFAOYSA-N
-rxn:2:156828:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N4CCCCC4)nc4nccn4c3C)C2(F)F)nc1,PGTTZECXBDEJEC-UHFFFAOYSA-N
-rxn:2:159678:80930,Cn1cc(NC2C(C)(C)S(=O)(=O)C2(C)C)n(C23CC4CC(CC(C4)C2)C3)c1=O,YSPATKPYBAYAKR-UHFFFAOYSA-N
-rxn:2:65934:151893,CCN1CC(C)C(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)C1,WAGKIAZYIBMUDA-UHFFFAOYSA-N
-rxn:2:66040:151893,CC1(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CCN(Cc2ccncc2)CC1,AYZQUZFASLDHRE-UHFFFAOYSA-N
-rxn:2:66187:151893,CC(CNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1nc2c(s1)C1CCC(C2)N1C,RAZONEHDEDCSCY-UHFFFAOYSA-N
-rxn:2:66420:100357,Cc1ccc(C2(N(C)C)CCC(Nc3c(S(C)(=O)=O)cnn3C3CCCCC3)CC2)cc1,XBNMBPVTMZAZMB-UHFFFAOYSA-N
-rxn:2:66420:172100,Cc1cccc(C(Nc2c(S(C)(=O)=O)cnn2C2CCCCC2)c2cccc(CN3CCCC3)c2)c1C,YIUPHRFPCYZCMS-UHFFFAOYSA-N
-rxn:2:66553:151893,Cc1ccc(N2CCCCCC2)c(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)c1,SXOPFAUKJPZLRN-UHFFFAOYSA-N
-rxn:2:66553:166005,Cc1ccc(N2CCCCCC2)c(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c1,HYZUOUYBKNHHAF-UHFFFAOYSA-N
-rxn:2:66934:151893,CC(C)[C@H](NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1onc2c1CCCC2,KDXMBBCZROKOGJ-IAXKEJLGSA-N
-rxn:2:67104:151893,CCC(CNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1nc(C2CCC2)c[nH]1,UGTKDSOFWNHPND-UHFFFAOYSA-N
-rxn:2:67237:102337,CC1(C)C(NCc2cnn(C3CCS(=O)(=O)CC3)c2)CCN1c1ccc2c(c1)OCCO2,IAFSHXJMZFIXJZ-UHFFFAOYSA-N
-rxn:2:67237:66153,CN1CCC2(CC1)Oc1ccccc1C2CNCc1cnn(C2CCS(=O)(=O)CC2)c1,PNIFWXAZCLYLHK-UHFFFAOYSA-N
-rxn:2:67564:151893,CCC1CCCCN1c1nnc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)s1,GUMNACNPAIHBEH-UHFFFAOYSA-N
-rxn:2:67665:151893,CC(c1cccc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)n1)N1CCCCC1,BCSIHDCBWMBINR-UHFFFAOYSA-N
-rxn:2:67733:166005,Cc1cccc(N2CCC(C)(C)C(CCNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)C2)c1,PEDWNBJYBCVNQO-UHFFFAOYSA-N
-rxn:2:68305:151893,Cc1noc(C2CCC(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)CC2)n1,ACKFURLRXBHCHZ-UHFFFAOYSA-N
-rxn:2:68551:151893,CCN1CCOC(Cn2cc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)nn2)C1,HCGHPRUOCYOZJB-UHFFFAOYSA-N
-rxn:2:68818:151893,CCC(CC)n1cc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)c(C2CC2)n1,CJFOFBMAXXEBSI-UHFFFAOYSA-N
-rxn:2:68875:102337,C[C@@H](NC1CCN(c2ccc3c(c2)OCCO3)C1(C)C)c1cncn1C1CS(=O)(=O)C1,WDVMHPUPRYRJCD-RBFZIWAESA-N
-rxn:2:68893:164678,Cc1ccc(S(=O)(=O)OC2CCC(Nc3ccc(CN4CCCC(C)C4C)cn3)CC2)cc1,MFDOBCQHYQKCQQ-UHFFFAOYSA-N
-rxn:2:69282:66153,Cc1nnc(C(CCS(C)(=O)=O)NCC2c3ccccc3OC23CCN(C)CC3)n1C,ZGVBVSYVZXLQAJ-UHFFFAOYSA-N
-rxn:2:69679:151893,Cc1cc(C)nc(N2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)CC2)n1,MPKUIHKYVSMVKB-UHFFFAOYSA-N
-rxn:2:69679:164678,Cc1ccc(S(=O)(=O)OC2CCC(NC3CCN(c4nc(C)cc(C)n4)CC3)CC2)cc1,FQARZYLZEIAOPK-UHFFFAOYSA-N
-rxn:2:69825:151893,CN1CCCC1Cc1nc(CCNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)no1,HUPBFLMGRKCOKA-UHFFFAOYSA-N
-rxn:2:69870:151893,CC(C)(C)n1nnc2c1CCC(CNC1CC3(CCS(=O)(=O)CC3)Oc3ccccc31)C2,VZCMMBSPYUBAOW-UHFFFAOYSA-N
-rxn:2:70282:151893,CCC(CC)c1ncc(C(C)NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)n1C,BOOIOFYCGDPNFN-UHFFFAOYSA-N
-rxn:2:70395:151893,CC(C)Cn1cnc(CC(C)(C)C)c1NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,VGTCIPSRFYQREW-UHFFFAOYSA-N
-rxn:2:70905:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc(C)cc(N4CCCC4)n3)C2(F)F)c1,YWXFRWLJWIMBRZ-UHFFFAOYSA-N
-rxn:2:71342:162544,CC(NCCN(C)Cc1ccc2c(c1)OCCO2)c1cn(N2CCCCC2)c(=O)[nH]c1=O,PQLDGQDKHYWPRH-UHFFFAOYSA-N
-rxn:2:71394:166005,CS(=O)(=O)c1cccc(N2CCC(NCC(F)(F)c3cnc(N4CCCC4)nc3)CC2)c1,CLTTZCSBIBZRNX-UHFFFAOYSA-N
-rxn:2:71644:151893,CC(CNC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)N1CCSCC1CN(C)C,MTQALRPUEKGTPQ-UHFFFAOYSA-N
-rxn:2:71944:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N3CCN(C4CCCC4)CC3)cc2)C2CCCC2)cc1,SWUZANMZAMNYHZ-UHFFFAOYSA-N
-rxn:2:72003:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCc3ccnc(N4CCCSCC4)c3)CC2)cc1,WGTNKQHGSSNVRL-UHFFFAOYSA-N
-rxn:2:72460:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3ccc(N4CCCCCC4)nn3)C2(F)F)c1,MTPOFMIABODWFZ-UHFFFAOYSA-N
-rxn:2:72526:151893,CCN(CC)c1cc(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)nc(C2CC2)n1,SHJATBBLAIOOGH-UHFFFAOYSA-N
-rxn:2:72668:151893,CC(C)CCN1CC(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)Oc2ccccc21,YGRWCTTVNZBSHZ-UHFFFAOYSA-N
-rxn:2:74248:151893,CCCN1CC(C)(C)Oc2cc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)ccc21,WBYTWTOSCWFOPX-UHFFFAOYSA-N
-rxn:2:74976:151893,CC[C@H](C)[C@H](NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1nnc(C2CCC2)o1,PXIIRSXMTIINBF-NUOXSBERSA-N
-rxn:2:75141:152385,Cc1c(OC(Nc2cnncc2C#C[Si](C)(C)C)C(C)(C)C)ccc2c1OCCCC2=O,RRJDJBSPALHUJO-UHFFFAOYSA-N
-rxn:2:75567:117066,CC(NCC(F)(F)CN1CCCCCC1C)c1ccc(OS(=O)(=O)[O-])cc1,YBSYWGMMKZKTAN-UHFFFAOYSA-M
-rxn:2:75663:151893,CN1CCC(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)(c2cccs2)CC1(C)C,SYHMPEKLDKKDTO-UHFFFAOYSA-N
-rxn:2:76177:102337,CCn1cc(S(=O)(=O)C(C)(C)CNC2CCN(c3ccc4c(c3)OCCO4)C2(C)C)cn1,WUCSEXMNHQYRBX-UHFFFAOYSA-N
-rxn:2:76350:151893,COc1ccc(N2CCSC(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)cc1,NLTOJSISBJMPSK-UHFFFAOYSA-N
-rxn:2:76750:151893,CCCN1CCCCC1c1cccnc1NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,XMJMOFUSLBZLFZ-UHFFFAOYSA-N
-rxn:2:76786:162544,CC(NCCC1C(c2cnc(N(C)C)nc2)C1(F)F)c1cn(N2CCCCC2)c(=O)[nH]c1=O,HYCOUMCLEKPRGS-UHFFFAOYSA-N
-rxn:2:76832:166005,CC(NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1)C(c1ccn(C)c1)N1CCCCC1,RPWPOCCQIOHCBH-UHFFFAOYSA-N
-rxn:2:77252:103302,CCC(NCc1nc(C2(S(C)(=O)=O)CCCC2)no1)c1ccc(N2CCC(C)CC2)cc1,AIZZUPTYPBFWEK-UHFFFAOYSA-N
-rxn:2:77252:66060,Cc1cccc(C2(N(C)C)CCC(NCc3nc(C4(S(C)(=O)=O)CCCC4)no3)CC2)c1,RYVWZXOKXSAKRS-UHFFFAOYSA-N
-rxn:2:77252:68336,CC(C)Oc1cncc(N2CCC(NCc3nc(C4(S(C)(=O)=O)CCCC4)no3)CC2)c1,MZTBMHOGFSBJOE-UHFFFAOYSA-N
-rxn:2:77452:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(=O)[nH]c(SC4CCCCC4)n3)C2(F)F)c1,FARCWIINDKFVFH-UHFFFAOYSA-N
-rxn:2:77527:152385,Cc1c(OC(Nc2ccc(CS(=O)(=O)C3CC3)nc2)C(C)(C)C)ccc2c1OCCCC2=O,ZGGQUNBQZLMNRU-UHFFFAOYSA-N
-rxn:2:77631:152385,CSCCC(NC(Oc1ccc2c(c1C)OCCCC2=O)C(C)(C)C)c1nncn1C,XRSNXKDORCWHRD-UHFFFAOYSA-N
-rxn:2:78467:166005,CC(C)(C)N1CCN(c2ncccc2CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1,JSOQSOUUBUMHII-UHFFFAOYSA-N
-rxn:2:78640:151893,Cn1cnnc1C1CCC(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC1,HZTGDZKOYBVEOJ-UHFFFAOYSA-N
-rxn:2:78774:79246,CCCn1ccnc(N2CCC(Nc3ccc4c(c3)N(C(C)C)CC(CC)O4)CC2)c1=O,AWWXJXDXPMZRME-UHFFFAOYSA-N
-rxn:2:79932:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(N4CCCCCC4)c(C)c3)C2(F)F)nc1,TUZKVXQIHRGDSH-UHFFFAOYSA-N
-rxn:2:79967:166005,Cc1cc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c(N2CCN(C)CC2)cc1C,TXCGFYXHKYHYOR-UHFFFAOYSA-N
-rxn:2:79978:151893,CC1CN(c2nnc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)s2)CC(C)O1,NLFZUENTGBUSNR-UHFFFAOYSA-N
-rxn:2:80023:151893,CCCN1CCn2cnc(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)c2C1,IEKCTXJWWROAGT-UHFFFAOYSA-N
-rxn:2:80401:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1(c3ncon3)CCSC1)C2,PBRXJKZIVFPUPC-UHFFFAOYSA-N
-rxn:2:80535:151893,CC(C)(C)c1nc2c(s1)CCCC2NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,NNWYADIMCCWMNX-UHFFFAOYSA-N
-rxn:2:83279:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3c4c(nn3C)CCN(C)C4)C2(F)F)c1,COXVYPPGXMOBGV-UHFFFAOYSA-N
-rxn:2:84102:151893,CC12CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)(c3nccnc31)C2(C)C,GHWYYIHOBSXPRH-UHFFFAOYSA-N
-rxn:2:84150:151893,CCOc1ccc(CN2CCCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)cc1,GPBGBYVLDSUICH-UHFFFAOYSA-N
-rxn:2:84753:164678,Cc1ccc(S(=O)(=O)OC2CCC(NCCc3cc(C4CCCCC4)ccn3)CC2)cc1,YJBXARCRDUUBKO-UHFFFAOYSA-N
-rxn:2:84819:151893,Cc1cc(N2CCC(CCNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)CC2)no1,ZIWHCGXBWWBEQA-UHFFFAOYSA-N
-rxn:2:87842:80930,CC1(C)C(Nc2nsnc2C23CC4CC(CC(C4)C2)C3)C(C)(C)S1(=O)=O,WXOAFZRVRAQTDG-UHFFFAOYSA-N
-rxn:2:87966:151893,CC1CCCN1CC(NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21)c1ccc2c(c1)OCO2,FPRSLWFHGVMNKA-UHFFFAOYSA-N
-rxn:2:88519:151893,COc1cc(C2CCCN(C)C2)ccc1NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,GHKOGPWSLQHPTG-UHFFFAOYSA-N
-rxn:2:89201:151893,CC(C)(C)Oc1ccc(N2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)C2)cc1,DVHDVNTYGHIGDK-UHFFFAOYSA-N
-rxn:2:89319:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nc4c(s3)C3CCC4CN3C)C2(F)F)c1,OMOYGPPMYGWTSH-UHFFFAOYSA-N
-rxn:2:89358:151893,Cc1cc(C)c(C2CC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)CN2C2CC2)cn1,HYXUTHCXTAZNFZ-UHFFFAOYSA-N
-rxn:2:91225:160422,CS(=O)(=O)c1ccc(N2CCC(N[C@@H](c3ccc(N4CCCCC4)cc3)C3CC3)CC2)cc1,ZQTZQFITJVKEFL-HHHXNRCGSA-N
-rxn:2:92122:151893,CC(C)CC1CN(C)c2cc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)ccc2S1,ZIHUQRIFPBZUCT-UHFFFAOYSA-N
-rxn:2:93279:70685,CC(C)(C)N1CCN(c2cc(CNC3CC(S(=O)(=O)F)C3)ccn2)CC1,HOVDLECFNCUCIX-UHFFFAOYSA-N
-rxn:2:95947:151893,CCN1CCO[C@@H](CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)[C@@H]1c1cnn(C)c1,FDKOQLRBTDWVSV-FALYVICWSA-N
-rxn:2:96098:142451,CC(=O)c1cncc(C2C(CCSC(C)NCc3cccc(N4CCCC4)n3)C2(F)F)c1,TTWFHVYGNFXFEG-UHFFFAOYSA-N
-rxn:2:97703:79791,CSc1ccc(C(CS(C)(=O)=O)NCc2ccccc2N2CCCC2C2CCCC2)cc1,QZDMNMLQDSPPAY-UHFFFAOYSA-N
-00618F7768CB291A_E60B3B1051462868_6029_UN,C(OC1=CC=CC=C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,KTVMGOQVXPXZSD-UHFFFAOYSA-N
-01AE541C2BCF0C4E_81735FA4D00E3576_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,CKQHZGOVHAVAKZ-UHFFFAOYSA-N
-02C469BEFD603D6D_FB22065FD15FF35B_6028_UN,CC1=C(C=C(C=C1)Br)C2(CC2)N[S](C3=CC=CC=C3)(=O)=O,OBRGUVPOEYQDCP-UHFFFAOYSA-N
-04164DEFAB89094E_0D284C370A349FC7_6028_UN,COC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=NN=C(C)C=C3)(=O)=O,IWGXDWPKHDBRBO-QWHCGFSZSA-N
-044D58A339C08CD9_D5A3A6169CCEBAC5_6038_UN,O(C1=CN=C(C=C1)[S](=O)(=O)F)C(C2=CC=CC(=N2)N3CCN(C)CC3)=O,GPHXNWZFINOICC-UHFFFAOYSA-N
-052E0D58E9B95D37_20231BCCBCD69241_6029_UN,OC[C@H]1CN(CC1)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,CCRKXKHLVDEQEV-JBZHPUCOSA-N
-05E0E29D7C9F5EEA_02D9717ABCA59BF2_6006_DP,COC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C3=CC=C(O)C=C3,RAWHIGSKEANCLC-UHFFFAOYSA-N
-069C7FCD7D9C83D9_454D4DA214443EFB_6029_UN,C1CN(CCN1[S](C2=CC(=C(N=C2)Cl)C(C)C)(=O)=O)C3=CN=CC=C3,GROHBQUZLSHDAH-UHFFFAOYSA-N
-08F0CE4C81F87974_81CFB605FF1A7169_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC(=C(C=C3)C)CC)(=O)=O,LRTUQSXKORDXIF-UHFFFAOYSA-N
-098C8EB69E97F432_ABF246A47F824E71_6038_UN,N(C1=C(C(=CC=C1)F)C2=N[NH]C=N2)C(C3([S](C)(=O)=O)CCC3)=O,VVJWQQARMVVGBQ-UHFFFAOYSA-N
-09C3ECB5E03CBBBD_EB506D6754C0494C_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=C3OCOC3=CC=C4)(=O)=O,IBDAMRBUWAVFTA-UHFFFAOYSA-N
-0B80375204E9EDA9_3E49C289C4BFF929_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC3([S](N(C)C)(=O)=O)CC3,YNOZPXKCXZDSSA-UHFFFAOYSA-N
-0C8C0B403C8D66E4_140723A823104AE6_6041_UN,CC(CC1=C(C=CC=C1)NCCC(N2CCN(C(C)=O)CC2)=O)N=C=O,KDRXZAYKEXXJOY-UHFFFAOYSA-N
-0EB6B9B192C02D0A_C2CE437F44FBF80A_6029_UN,CC3=CC(N[S](C2=CC=C(C1CC1(F)F)C=C2)(=O)=O)CCC3,SQBAHOHERVEOCP-UHFFFAOYSA-N
-0F352F36C5B1DD59_AB019E36A1509478_6029_UN,C#CC1N(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,IHKIGPIJXPMQIT-UHFFFAOYSA-N
-0F6B333BF30D6504_79336481E489E629_6038_UN,N(C1=CC(=C(C=C1)F)[N]2N=NN=C2C3CC3)C([C@@H]4[C@H](N(C)C(CC4)=O)C5=CC=N[N]5C)=O,DDGCRQKAOKCFOA-LIRRHRJNSA-N
-103315E7699CBB72_8FCDAA4EF3EC3553_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(C(CC)C#N)C=C2)(=O)=O,HMQWIZNPRCKCDO-UHFFFAOYSA-N
-11F9CEAFC5D538F3_8644A42295112391_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)NCC3=CN=C(N2CCCN(C)CC2)C=C3,MUAZJFNFZCRJET-UHFFFAOYSA-N
-12C2EB67AE646AA5_9AEED33EFE45F11B_6038_UN,CC1=CC(=CC(=C1)OC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O)N4CCCC4=O,MUQVZQBSGIQPRD-UHFFFAOYSA-N
-1659F9C6949B795E_55C3B234B5D3DA4F_6038_UN,CC2=C(NC(C1(C(N(C)CC1)=O)C)=O)C=N[N]2C[Si](C)(C)C,OALJVKGDCQZXRN-UHFFFAOYSA-N
-17D1F142867FE5A6_E46B547B46209AE6_6029_UN,N(CC1(CCC=C)CC1)[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,BYHQQFYPQNBRKS-UHFFFAOYSA-N
-17E930E43EA50ED0_DAA795867EFD805A_6028_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O,QOOZXDOMWYDRJB-INIZCTEOSA-N
-1873119BFC7D7ED5_01D4B300C660DED2_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,MAIRGWIYHJYZCS-UHFFFAOYSA-N
-1AE74B26D62B43FF_143E1D1C4E8454C0_6029_UN,OC1=NC=CC(=C1)N2CCN(CC2)[S](C3=CC(=C(C(C)C)C=C3)C)(=O)=O,MPFKLGNSULPSJG-UHFFFAOYSA-N
-1C347E56314888D6_9D07C6151751DED3_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCC([N]2C=C(C)C=N2)CC3)Cl,AXXIFECKNWWRFH-UHFFFAOYSA-N
-1C361CD00462A42A_BE6A86B9A52491B3_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O)C,DFBWDVYGLWPAEU-UHFFFAOYSA-N
-1CC1D9351D8712C4_8DD7CE667793C155_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)C#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,KOTYSVCGUPEMDI-UHFFFAOYSA-N
-1D5363E3ADA07F78_439187F5471ED606_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C(CC(C(OC)=O)=O)=O)C=CC=C2,GQDIMDDWJZKZQB-UHFFFAOYSA-N
-1E48CBF7A33C82CC_C2D111F54240E4CF_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2NC3(C(N(OC)C)=O)CC3,AYNVWSOGQOJXGS-UHFFFAOYSA-N
-1F745A2E1ABE3B05_26516A0D5CDDFA0A_6029_UN,CC2CCN(CCCCN[S](C1=CC=C(C(C)F)C=C1)(=O)=O)CC2,BZAISOYMFRADOG-UHFFFAOYSA-N
-1F92ED728F257F5A_2E65AB9703DE9EE1_6029_UN,C1CN(CCN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C5=C4C=CSC4=NC=N5,KMRBPBAJVNJJPU-UHFFFAOYSA-N
-237C35B5876F8541_509F9E3F5DCFC63A_6028_DP,OC1CN(C1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,DGACPATUZKHNIS-UHFFFAOYSA-N
-23CDFED638C83063_B424E0F6D158A43F_6038_UN,CC(NC([C@@H]1[C@H](N(C)C(CC1)=O)C2=CC=N[N]2C)=O)CCN(C)C,WVLOXCRLFGJUHJ-XGFYENRKSA-N
-247D5C3050F645AA_62C6BE2B1B75445A_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)Cl)C#N)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,HSQGVHJEYKNWDE-UHFFFAOYSA-N
-24FAC22ED50C9643_67CBDB4EE6FC5B25_6029_UN,N([C@@H](C(=O)O)C1=CCC=CC1)[S](C3=CC=C([N]2N=NN=C2C)C=C3)(=O)=O,OHZFNBNNMUBGHR-OAHLLOKOSA-N
-2548884DAAF5FF63_BD627F2C20388C2A_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,XFQUQYAHMCIDPN-IBGZPJMESA-N
-25EC4169F24DDDF7_6CA608C77D6FB22D_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4(C3=CC(=C(C(OC)=O)C=C3)C)CC4,WZSXBTJWCMWJTR-UHFFFAOYSA-N
-2648925D6FDE5440_0123980A98CAE6E5_6029_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,CQGFNUXIMIHBIN-UHFFFAOYSA-N
-277DB8F14AF0120A_4EDE7D1AA66DB5D6_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C(C(C)C)[N]2C3CC3)(=O)=O,OMNOLCQORBSKCD-UHFFFAOYSA-N
-28C12F2B2DB508B1_147C549674BEED3F_6028_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ISZDIPXQPQKCJB-UHFFFAOYSA-N
-294B5DBB02B6483E_108EB71134E395ED_6028_UN,C#CC1CCN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,GTGQARQRIBBPHF-AWEZNQCLSA-N
-29F4BCCB55A6C396_C2FC676D28187EF2_6041_DP,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)NC3=CC=C(O)C=C3,DGRYWMQXFSMZEK-UHFFFAOYSA-N
-2C9084E1E886746F_B9DFD332F71E5FAC_6038_DP,O(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,NUEQOJPBXDVHSB-UHFFFAOYSA-N
-2CC25AC5EF6B97DC_438E33766181D7A0_6029_UN,C1C(CN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)[N]4N=NC=C4,NBXSLESFKWXVEZ-UHFFFAOYSA-N
-30CC0567AF6E2B54_84CA68DD0815B534_6038_UN,N(CCN1C(SCC1=O)=O)C(C2=C(CC(OCC)=O)N=CC=C2)=O,PATRTZBBDVLBIM-UHFFFAOYSA-N
-33362A49282B34AE_B8E9E7A7F3DF9813_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)C,ZZQIESDSEFUCMV-UHFFFAOYSA-N
-35CEC10AC376A620_5430E30EF608CCED_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](N(CC)C)(=O)=O)C=C(C=C4)F,JZZCTPPURCUJOY-UHFFFAOYSA-N
-36599246944C851B_6FE2348B2383E576_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4(CC4)C#N)(=O)=O,UATANWFKPHYRKF-UHFFFAOYSA-N
-388078A5D2177663_E0AAD1FE8B758936_6029_UN,CC3CCC(CN[S](C2=CC=C(C1CC1(F)F)C=C2)(=O)=O)CC3,DBNUVCRWPZOEEK-UHFFFAOYSA-N
-3A8ECC21C1D8E014_9C63DFCCECF263E7_6035_UN,O(CCCN1CC(=O)NC1=O)C2=C(C(CC(C(OC)=O)=O)=O)C=CC=C2,SYLZHEHMYWJHHB-UHFFFAOYSA-N
-3BD369CC2155E7DD_5C040EE43833937E_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NCC3(C2=CC(=C(C)C=C2)C)CCC3,SZMZYRQYQYBSHO-UHFFFAOYSA-N
-3BE9103D98EBD44F_8EC6A7975B4C299A_6039_UN,CC(=O)C3=C(OCCN1C(=O)CNC1=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,ZYJCHPKRPBQUEY-UHFFFAOYSA-N
-3BFC8C91EF432F4A_9A303C5409630613_6038_UN,CC1=C([N](N=N1)C)COC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O,MYBYLFMUGWRSOA-UHFFFAOYSA-N
-3CE563F42C1363A0_DE4DF6B48C8EB6B5_6028_UN,ON(C1CCCC1)[S](C2=NC=C[N]2C3=C(C(C)C)C=CC=C3)(=O)=O,LQVGYANHTGCOKT-UHFFFAOYSA-N
-3EC62BF9F63A325B_89479EF4B143C704_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,XEYHGLBZJZVXCU-UHFFFAOYSA-N
-3F7945FBBB18D578_22F14E21DA197101_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCC)C=C2)F,UZTDDCJMYBBUAK-UHFFFAOYSA-N
-40B00CFAB6D1C08D_094A8D5EEA1D45D4_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CCC(N(C)C)=O)=O,LKWCQRNKHUGEHE-UHFFFAOYSA-N
-40F883EEDA64706E_2FF5B5A82771FA8D_6029_UN,N(CCCC1CC1)[S](C2=CC=C(C(C)C#N)C=C2)(=O)=O,FZLHWWHNXSRYER-UHFFFAOYSA-N
-41360959503B560E_65CD9FF1BDB6FF91_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC4=CN=C(N3CCCN(C)CC3)C=C4,YXKJHSYPGAHWMT-UHFFFAOYSA-N
-41507F35B4403B4F_9A3D54C2064BF830_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC=C(C[S](C)(=O)=O)C=C3)=O,SJAUDMXKJWLLED-UHFFFAOYSA-N
-4152E539DD0FEAC5_17057F6E9364D059_6038_DP,N(C1=CC=C(C=C1)N2CCC2)C(C3C[Si](CN3)(C)C)=O,XFMIADJDTKWHDG-UHFFFAOYSA-N
-44A1013D4F22B12D_F0C70F85F48F275D_6028_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,ODBAMFIZFZLMLI-UHFFFAOYSA-N
-44A6FE565385462B_C04BD86C47B6BB36_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,TWPMRRQLTYOUJJ-SFHVURJKSA-N
-44D3E97819BDAB37_CA598C67BFB82E20_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C([S](C)=O)C=C2)=O,QIQZPSNFHNILNZ-SMNKDYLDSA-N
-4507F09731866D4F_66E7F2D894861192_6003_UN,CC3=C(OC2=CC=C(C(C1=C(C(O)=O)C=CC=C1)=O)C=C2)C(=O)CO3,UXDKUWHAIGLCCF-UHFFFAOYSA-N
-45488501D5C3DD5B_B8BC8E25978C0E52_6029_UN,N#CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,KWEINSAQFHYIBA-UHFFFAOYSA-N
-45E09F36C078D220_BA4A9AA98F0CA5BF_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=CC(=N2)OC)(=O)=O,QBOCNSXUSXKCDR-UHFFFAOYSA-N
-476EC519C1E10F87_F459768FB2781AE1_6041_DP,N1CCN(CC1(C)C)C2=NC(=NC=C2)NC3=C(C=CC=C3)[As](=O)(O)O,XAHVJXDQXXSWFL-UHFFFAOYSA-N
-4818EC5E0AA6A372_D02075543A555542_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(CC2=CC=CC(=N2)C)CC3)Cl,GOMDXIHKAOTQBP-UHFFFAOYSA-N
-49A1996C48ED79D9_6582097CA742C35F_6029_UN,BrC1=CCN(CC1)[S](C2=C(OCCCC)C=CC(=C2)C)(=O)=O,HKCFFNFAHWEUBE-UHFFFAOYSA-N
-4B16ACC1E47876C6_BD54E9687412A77E_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CC=N[N]3C4CC4)(=O)=O)C5=CSC=N5,CLNBKBFAMJSVPT-UHFFFAOYSA-N
-4BF99D247014F3CE_F1CC704443EAE430_6035_UN,NC(=O)N2CC(OC1=C(C(CC)=O)C=CC(=C1Cl)Cl)C2,PBNKRIHDJQIOSF-UHFFFAOYSA-N
-4DC11E757DEE03DE_470352A82CA66B92_6029_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3)C)(=O)=O,KZLHDWDWZHLMFZ-UHFFFAOYSA-N
-4DC11E757DEE03DE_9CBE1CB15A938F67_6028_UN,COC2=C1CCN(CC1=C(C=C2)F)[S](C3=CC=CC(=C3)C)(=O)=O,KZLHDWDWZHLMFZ-UHFFFAOYSA-N
-4DEF10243DE3840C_B7A459321F2CAB66_6038_UN,COC1=C(C(=CC=C1)OC(=O)C2=CC=CN3C2=NCC3)[S](=O)(=O)Cl,ILTWHOCKRBGQEF-UHFFFAOYSA-N
-4E8D9ED94E4F9597_43C673B3E332D062_6038_UN,CC(C)OC1=NN=C(C=C1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,KEXQELSWXUHYSC-UHFFFAOYSA-N
-4E90BEF1B08B0AA0_71C8660CF2B23A68_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)C#N)C=C2)(=O)=O)C3=NC=CC=N3,KEIUZXRESXWFPP-UHFFFAOYSA-N
-4FFA293131833285_03554E953BF403EF_6028_UN,N([C@@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O,QOOZXDOMWYDRJB-MRXNPFEDSA-N
-502A483CA822B28C_CB113A651EEB181D_6029_UN,N(CC1ON=C(C1)C2CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,NPAZJNFLRXXFJB-UHFFFAOYSA-N
-50CDFCE926E1788C_7087E45C9EB47149_6038_UN,C[C@H](OC([C@@H]2[C@@H](C1=C(C)[N](N=C1)C)N(C(C2)=O)C3CC3)=O)C4=CC=N[N]4C,ZWLHMKGKKPIHCM-YEWDVWPNSA-N
-52AEA979F25D3365_7F18E951A8553DF7_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N4CCCC(C)C4)(=O)=O)C=C5,UTNFUTAUDLHSAV-UHFFFAOYSA-N
-537FFD4E57318C57_DB9C2875335A71E7_6041_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NCC4=C3[N](CCN(C)C3)N=C4,FFTSSZVDFIPIGU-UHFFFAOYSA-N
-5394B0B93261E5EE_363B153EF7B4ED62_6041_UN,C1(=CC=C(C=C1)N2CC(=O)OC(=O)C2)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,YYKPPNJNFNUSCB-UHFFFAOYSA-N
-54D02540B45E41BF_DB2E788A52A42C13_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCOC,NCYONLNLBZMUES-UHFFFAOYSA-N
-558CBBB52FAA55DD_495D5B4B6417A922_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=CC(=C(C=C4)Cl)[N](=O)=O,ZQZRXOFQCASNHW-UHFFFAOYSA-N
-5707362BF45181E0_1DA40FCE7D2B58E2_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=CC=NC=C3,AZDKSMUKOYVEFF-UHFFFAOYSA-N
-57B5030C4E9AD637_63FE52026E65970A_6029_UN,C1CN(CCN1[S](C2=C(C(C)C)N=CN=C2Cl)(=O)=O)C3=NN=CC=C3,YULCIMXDCNEQCP-UHFFFAOYSA-N
-598BCB0B4315E882_B4F7AEA5DE41D0E4_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=C(C(C)F)C=C2)(=O)=O,WFWRZZBPNMJJNW-UHFFFAOYSA-N
-59F92CCBDB1F96F7_845EFAEE9AF694AC_6041_UN,CC1=C(N=C(N=C1)N[C@@H](C)C2=CC3=C(C=C2)OCC3)[S](=O)(=O)C,ICBFXWAEYMSLRJ-NSHDSACASA-N
-5A8AF931008FDDEE_15D3182792BF0E34_6029_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,CHOWIZZYRPNTSB-UHFFFAOYSA-N
-5A9F5A6AD51021C5_D7F7C59C9AE44058_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4([S](N(C)C)(=O)=O)CC4,ZZQKKAJHPIHEFY-UHFFFAOYSA-N
-5ADC486F470B7EB3_5AA4A4DC917C910C_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC=C(C(C)C)[N]2C3CC3)(=O)=O,QQEYNZZNRWWKQA-UHFFFAOYSA-N
-5BCE24B987790BA7_EA799A8AFDB6DDAF_6006_DP,COC1=CC(=CC=C1)C(=O)C2=C(C=CC=C2)C3=CC=C(O)C=C3,KYXOCSSOPQEEEB-UHFFFAOYSA-N
-5BEE205A5D12459D_61B45049B23973A7_6029_UN,N(CC1CC(O)C1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,CYFNNSVQGMTMFA-UHFFFAOYSA-N
-5CF65C4728455958_C8D105546E8EE4A4_6041_UN,CC1=C(C=CC(=C1)NCC(CCC)=O)C(=O)N2CCC(=O)CC2,CZFVLZPJTYTPAD-UHFFFAOYSA-N
-5E32FC4C75961E2C_8524A66F37077FB3_6029_UN,C#CC1CCN(CC1)[S](C2=C(C(C)C)C=CC=C2)(=O)=O,JTCIIDRHMDYAOC-UHFFFAOYSA-N
-5E53E08A2FDADD96_94FB151C820FA20F_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C(C3(C(N(C)C)=O)CC3)=O,RQYJCTOJMVKONI-UHFFFAOYSA-N
-5F9CAC168BF137E5_AF1B59D53F1233D1_6029_UN,CCN2CCN(N[S](C1=CC=C(C(OC)=O)[NH]1)(=O)=O)C2=O,BTDDACMJIVUDBX-UHFFFAOYSA-N
-62A36134FF525895_6359C27BF3A40D8C_6038_UN,N(C1=CC(=C(C=C1)F)[N]2N=NN=C2C3CC3)C([C@@H]4[C@H](N(C)C(C4)=O)C5=C([N](N=C5)C)C)=O,QLWUHFKTFQWVIN-LIRRHRJNSA-N
-64E3F43B32A4C398_596AECDE835C47CD_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC=C2)C(C3=CC(=C(OC)C=C3)C4CC4)=O,JNKFRPDZCQMWKB-UHFFFAOYSA-N
-654CD29C614F0BF1_0E0C7DE37764983B_6039_UN,O(C1=CC=C(C=C1)N2CCC2=O)CC3=C(C)C(OC3=O)=O,ZMPCCVXIDBUANU-UHFFFAOYSA-N
-6AFE275087240E67_B49BB2DF41551C54_6038_UN,N(C1=CC(=O)CC1)C(C3=NN(C2=CC(=C(C=C2)C)C(OC)=O)C(CC3)=O)=O,KBBWUPRRQGTQLI-UHFFFAOYSA-N
-6B2AC3DB7CF05E4C_73448117696DA94A_6035_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C3=C(C(C)=O)SC=C3,LWLJJQGMRQOJQR-UHFFFAOYSA-N
-6BDB1EC9CE5EAF9A_E5122D971C4192DE_6029_UN,N(CC1CC=CC1)[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,MKWJPLUXCKGMHP-UHFFFAOYSA-N
-6CC5FE2E064CA563_F49DB579ACBA558B_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)[N](=O)=O)O)OC,VEPNZPMBXRULQT-UHFFFAOYSA-N
-6D54017A2A1ABECC_563712EB38087533_6028_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=CC(=C2)OC)(=O)=O,TVXCHHISUOMBNT-UHFFFAOYSA-N
-6D54017A2A1ABECC_73CEC14B179EC8C3_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=CC(=C2)OC)(=O)=O,TVXCHHISUOMBNT-UHFFFAOYSA-N
-6E573889C79B7F18_DF0484C6BEDCB677_6029_UN,OC1(CCN(CC1)[S](C3=CC=C(C2=NC=C(C(C)O)S2)C=C3)(=O)=O)C4=CC=CC=C4,DLHKBOMNVGIUDK-UHFFFAOYSA-N
-6F11A0B46224B8A0_12852AF6A096F857_6038_UN,O(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(C4=CC=CC(=C4)[S](C)=O)=O,YTRIKETVMVHAIJ-UHFFFAOYSA-N
-6FD755C6C00E6CFD_9945A0FB16B69E78_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(N=C(C)N=C2)C3CC3)=O,DSXCKHMTLVWRDD-UHFFFAOYSA-N
-72B3BDCBF1613E97_3B1C6B543CBF6809_6029_UN,N(CCC1CC=CC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O,ZFTCPHMZLPGNGP-UHFFFAOYSA-N
-763688B488C233EE_873C77AEBEFCF114_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,FDZIZDPROAYWQL-UHFFFAOYSA-N
-768BFB0D6A6A636E_683DC0282D856CFF_6026_UN,FC(F)C1=CSC=C1[S](=O)(=O)N(C2CC(C(C)(C)C)C2)C3CC3,FRXTXLWNUTYEAW-UHFFFAOYSA-N
-76B2040A505FA24B_328BB2710473DB8D_6029_UN,OC1CN(C1)[S](C3=CC=C(C2=NC=C[N]2C)C=C3)(=O)=O,XZDIAIRLSLMSGK-UHFFFAOYSA-N
-76FBAC5BEF33173C_05FE39DC67D43F37_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,CEGYJVPTUFTKKC-UHFFFAOYSA-N
-779474A49FC07857_7BCDF598B6027299_6029_UN,N(CCC1CCC(F)(F)C1)[S](C2=CC=C(C(C)C#N)C=C2)(=O)=O,CZKGMIOYGZMOJO-UHFFFAOYSA-N
-77D50B0B455D8F2A_B9327A18783243A8_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3(O)CCOC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,KBLYKWYXMWDCMV-UHFFFAOYSA-N
-7897FF0B0EB3A3DA_25C40471BC418F9A_6038_UN,NC(=O)C1=C(C=CC(=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,YJNIEUYHWCJGLS-UHFFFAOYSA-N
-78E99137723822C6_5DBFFA9F7FE8F932_7015_UN,CCCN2CCC(CN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,GPYSXXZOCAGIOR-UHFFFAOYSA-N
-796231E21752BE5B_1A0357A2473DC6C2_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2C3=C(OCC2OC)C=CC=C3,YARWQQOJPPDOHU-UHFFFAOYSA-N
-7A0822A2AF11B385_3C37806D8FB72726_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,RLTSPCGWTACCQE-UHFFFAOYSA-N
-7CDB4DD78E08AD84_7A77E4428122561B_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)NCC3=CN=C(N2CCCN(C)CC2)C=C3,WXMFSRNZQILGQV-UHFFFAOYSA-N
-7E94B7EFC88D7863_4587952AFF083F82_6036_UN,C1(CC(C1)C2=CC(=CC(=C2)F)F)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,GGNQNQLAKXVGJP-UHFFFAOYSA-N
-7F77B76D6858454D_9D870B6A960277E9_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC(=C(C=C2)C)CC)(=O)=O,BEJYHGVEFTXTDW-UHFFFAOYSA-N
-812B502EB4C12B41_20DAFC1883A8DC5F_6038_DP,O(C1=CC(=CC=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,NUEZQXWMAKTMIG-UHFFFAOYSA-N
-8184C7879C33321C_76A4B2252F3F1B78_6038_UN,CC(C)CN(C)CC(C)(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,YEBSOWRKKYEHOA-UHFFFAOYSA-N
-8358EFE3BFB70F97_5BB6B9A1DE055AA3_6029_UN,C(N1CCN(CC1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CSC=C3,MSLSDNVYXJRZFV-ZDUSSCGKSA-N
-83775FACA16F3DF5_F1EBDE6B4B620F78_6038_UN,CC1=CC(=CC(=C1)OC([C@@H]2[C@H](N(C)C(CC2)=O)C3=CC=N[N]3C)=O)N4CCCC4=O,WAKFRYYESCVUBO-UWJYYQICSA-N
-8518DBD06046CB59_2BF5557F420160FA_6038_UN,CC1=C(C=C(C=C1)CNC(=O)C2=CN=C(N=C2)N3CCOCC3)[N](=O)=O,YXFZQQMALDYXJI-UHFFFAOYSA-N
-86AE7F37186538A0_EA37611AF9E9C767_6028_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ZFDGQZGMGILKGX-UHFFFAOYSA-N
-89D0D1FBA5A94DF7_D0E6D9D848523DF0_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC4=CN=C(N3CCN(CC)CC3)C=C4,MVEVKSDHRJPRIQ-UHFFFAOYSA-N
-8AEEF93E6A7B137A_B074B79C987DF5DD_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C3=CC=C(C2=NN=C(C)C=C2)C=C3)=O,PQHANKCIXHFTCM-CQSZACIVSA-N
-8B7F4C8DA251C743_0161493470D8C617_6029_UN,N(CC1CC=CC1)[S](C2=C(C=C([C@H](C)O)C=C2)C)(=O)=O,MDZOSGWNGXRUNG-LBPRGKRZSA-N
-8BBB9BA867DF471E_DD8CEDEC4469D652_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCC(N(C)C)=O)=O,ZHHZKLASNNAAQG-UHFFFAOYSA-N
-8D2D840F0D7E8B31_5FB27FED7AA53AA0_6031_UN,O(C(=O)C1=CC(=C(C=C1)Cl)N2CCNC2=O)CC(CN(C)C)(F)F,PYBOYSMNRBDAAD-UHFFFAOYSA-N
-8D57F82F865C5D82_F58933105ABE058C_6029_UN,CC1=NC(=CC=N1)N2CCN(CC2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,BNWGXVWGTMZJFD-AWEZNQCLSA-N
-8DFAED77C7A8E9A2_496A0A89DF5E7CF6_6038_UN,COC1=C(C(=CC=C1)OC(=O)C2=CC=CN3C2=NCC3)[S](=O)(=O)F,ZGHRTQQDSLRJQD-UHFFFAOYSA-N
-8E23FBAB97D3EB27_185E55125F6E8D2F_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCC(N(C)C)=O,IAWORYYDGCRFLN-UHFFFAOYSA-N
-8F0B75E81E23D771_F8304E672FE7E044_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C3=CC=C(C(C)C#N)C=C3)(=O)=O,FSEYIZZLQBDUHW-PCODZPRTSA-N
-91C3AB0CA061A2B1_81300C2CCDC5A991_6029_UN,CC1=C(C(=CC=C1)Cl)N2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,ICBVSAJHLWUSIQ-UHFFFAOYSA-N
-920F9EAD8BE074F7_96A652B8A49D47A4_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)O)C=C2)F)(=O)=O)C3=NC=CC=N3,KKIRKWMSHHLVSO-UHFFFAOYSA-N
-93A80EF691B7CFED_B71006E495BB47D7_6027_UN,N(C1(CC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,YYTYJTDOAMTXLX-UHFFFAOYSA-N
-9513C713B89BE5C1_C231C297F0CC7099_6043_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)N[S](C3=C(C)C=C(C=C3)O)(=O)=O,NCAGSZZOURBFJK-UHFFFAOYSA-N
-95DCE4E4A57E4996_1CFB5BBD883686B5_6029_UN,C[N]1C=NN=C1N2CCN(CC2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,NDDSXFWBQQCQAL-ZDUSSCGKSA-N
-974E5F2E59976B8B_0C8F3E6E672F430D_6027_UN,N(C1=CC(=CC=C1)C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,LFEFPJNYSXMLMC-UHFFFAOYSA-N
-97B1548FEDBAA7CB_BD4B1241A2ABF7D2_7015_UN,N(C1=CC(=CC=C1)C2CCC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,YSBMRAVQOGMPSO-UHFFFAOYSA-N
-97D59D9D974F8ACC_0760CAE24281BBFC_6036_UN,CC1=C(C=CC(=C1)F)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,YPTMZGKTAWTJRZ-UHFFFAOYSA-N
-98672E43EA587EE7_819A8C843932B10B_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCC(CC)(C)C,QEWONUSRFPEWCP-UHFFFAOYSA-N
-99BA30B557849CFB_394C0E7044BD4FDB_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=CC3=C(OCCC(Br)C3=O)C=C4)(=O)=O,RFSXFNOFVNPTBG-UHFFFAOYSA-N
-9A02E37E6ADA7837_14087742354CF147_6029_UN,N(C[C@H]1C[C@@H](O)C1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,CYFNNSVQGMTMFA-BJHJDKERSA-N
-9A131FBBEF2F4482_5DB3E1BEA19DACEF_7019_UN,CC3=C(C=CC1=CC(=C(OC)C=C1)OC2CC2)C(=O)OC3=O,MMAIGFDVKYQDRM-UHFFFAOYSA-N
-9A727EAEDA15B5EB_0368BCE5EFB256C9_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,BIZWDVFRZTYAFB-UHFFFAOYSA-N
-9D64E47BAD0CD26A_7201A9B0910CFE32_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(N)C4CC4,XDOIAEVXWDGFPH-UHFFFAOYSA-N
-9DBB74A734BBF863_9E728415F46EA174_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C)C=C(N=C3)O,DACBBEKNPOKGGK-UHFFFAOYSA-N
-9DFC639EAF93EAC8_9F9E06AD437E962C_7022_UN,C1(=C(C=NC=C1)F)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,VMPHZFATHDJLAV-VYIIXAMBSA-N
-A02F8FA3D9C1E301_4D5860801F94BC86_6029_UN,N#CC1=C(C=CS1)N2CCN(CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,OXAIQOJRUOBLDL-UHFFFAOYSA-N
-A0893C0B0965C5B0_E11882BDD81FF985_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N5C4=C(C=C([S](N3CCN(C)CC3)(=O)=O)C=C4)CC5)Cl,FXSIQICOPFSAGG-UHFFFAOYSA-N
-A39B3CBC4BEEF72F_DDEDAB8F540ECD7E_6029_UN,CC1N(CCOC2=C1C=CC=C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,UHBHFRGBUOWWIL-UHFFFAOYSA-N
-A4387AA531DE3775_A9F49B63D608D4DA_6029_UN,C#CC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,AONQGMOACSIVFR-UHFFFAOYSA-N
-A667E93F36AB684B_06C9132FFB3CD769_6041_UN,COC(=O)C1=CC(=C(N=C1)F)NCC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,XBFRQIYIXUJPPE-UHFFFAOYSA-N
-A811CD3DEFBDCB1F_D8F4106B16ED1D42_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@H]3C[C@H](OC)CN3)=O,MBRODPJRJWRHOJ-QWHCGFSZSA-N
-AA7E34C5FBA9FA75_94BE5178D1F59C3D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4,KMGQTBMGHAUCML-UHFFFAOYSA-N
-ABB768A92016AA76_13104441441D69A0_6038_DP,O(C1=C(C=CC=C1)C2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,NFUJYBYRFKNQOQ-UHFFFAOYSA-N
-AC91EECB80525083_F2E2642E70BB1FFF_6029_UN,C1CC(CCN1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,HNJWETNSKVYWKM-UHFFFAOYSA-N
-AED38CEC2EBE6DCD_90604AE41DD302BB_6029_UN,C1C(CN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)OC3=NC=CC=N3,LXUZDHUGMUZOEC-UHFFFAOYSA-N
-AF5861D6E9EAD595_333C3B1520032B5C_6039_UN,CC4=CN1C(=NCC(C1)OCC(N3CCN([S](C2=C(F)C=CC=C2)(=O)=O)CC3)=O)C=C4,LOYMTOVOEXDBNQ-UHFFFAOYSA-N
-AF591E9165700EFB_6DAD76539404BAEF_6038_UN,CC4=CN1C(=NCC(C1)OC(=O)C2=CC(=C(C=C2)N3CC[S](=O)(=O)CC3)F)C=C4,LKLYTRMQCJWPCD-UHFFFAOYSA-N
-B163C859E786DFCB_EACE0BE782A8D366_6003_UN,CC(COC1=CC=C(C(CCCN(C)C)=O)C=C1)N2CCNC2=O,FNGVKHXUFVDOIG-UHFFFAOYSA-N
-B2B3CB873F755296_FAC24D37B6FBE449_6028_UN,CCN2CCC(CN[S](C1=CC=C(C(C)C)C=C1)(=O)=O)CC2,PHOLEUVEQKJGOV-UHFFFAOYSA-N
-B51CA799113E1727_E708B6DC2063EE0A_6029_UN,C1C=C(CN1[S](C2=CC=CC3=C(C)C=CC=C23)(=O)=O)C4=CC=CC=C4,KIGXYKUBRSYWSI-UHFFFAOYSA-N
-B54DB95657FB4E3B_4B6AB201C7DBDD05_6041_DP,CC(C)C1=C(N=C(N=C1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3)N4CCNCC4,NZHYGCDQOWRISJ-UHFFFAOYSA-N
-B62473672CB28CB4_38F5AF530A8DF50A_6041_UN,C1(=CC=C(C=C1)N2CC(=O)OC(=O)C2)NC3=CC(=NC=C3)N4CCN(C)CC4,OSEVBOVWAIVLQW-UHFFFAOYSA-N
-B6603CECCB15D118_EA4E47103DC290F0_6029_UN,N(CC1CC=CC1)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,JMLXYWXMTXJQCS-UHFFFAOYSA-N
-B73825DB06231691_358DCEBA09007B75_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCC(N(CC)C)=O,BMTYZQNUIIUNLX-UHFFFAOYSA-N
-B73825DB06231691_91CA15EF1EB397BD_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCC(N(CC)C)=O,BMTYZQNUIIUNLX-UHFFFAOYSA-N
-B77F6EAAF24D7F13_221AF9824A4B864B_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,RWPNISQKGWRGFX-UHFFFAOYSA-N
-B82D5D140C156BF7_DA06085931FDB703_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=C(C=CC=C2)C[S](=O)(=O)Cl)C=C3,GJSBNCOQMJUSAZ-UHFFFAOYSA-N
-BAFC9ACDE3945F88_0F29070533E39FE0_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C5=CC4=C(OCC4(C)C)C=C5)(=O)=O,HGBJSHBMSHQQSU-UHFFFAOYSA-N
-BC49D6D17BDF2E22_3ADD49E15FCBFA5C_6038_UN,O([C@@H](C1CCCC1)C2=CC(=CC=C2)F)C(C3=CC=C([S](C)(=O)=O)S3)=O,PVYFYYGNCXCXQU-KRWDZBQOSA-N
-BC9C2F7CFBA0B70F_0EEEABEAEEB938EC_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=C(O)C=CC=C3)=O,SPBDIVKIHWMXBI-UHFFFAOYSA-N
-BE5F6BF8CC2AEDBC_8E7295D5501BBE88_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(OC)C=C(C=C3)O,OYBYKLLLTOBGSL-UHFFFAOYSA-N
-BE6160583570CF92_BE27C330A471185C_6038_DP,C[C@H](NC(C(=C1CNC1)F)=O)CN(C)CCCN(C)C,FVIUEARDUAISKT-NSHDSACASA-N
-BE9A90E61F574E4A_A76E785B86E6FF48_6029_UN,CC2=C1CCCN(C1=C(C=C2)Cl)[S](C3=NC(=CC=C3)OC4CC4)(=O)=O,COXHYAMEZIPEPR-UHFFFAOYSA-N
-C063B43BC4471B8D_88C31AAF4B92B9DA_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)NCC3=C(N2CCN(C)CC2)C=CC=C3,SNWZKTTYKDMUDJ-UHFFFAOYSA-N
-C28E5A68258A6B0D_0BE22C4177D718F0_6026_UN,FC(F)OC1=C(C=C(C=C1)[S](=O)(=O)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3)Cl,UGBLJLLNKZZCBK-JOCQHMNTSA-N
-C2E46149A5DA129B_13B988484939B915_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CCCC(N(C)C)=O)=O,XECUSJXFQSBYOY-UHFFFAOYSA-N
-C37CFC024B559E90_0EF421BFCCFD4AC1_6028_UN,CC1=NOC(=N1)C2(CCN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O)C,UGBPJIHUIUKSPP-AWEZNQCLSA-N
-C46651F30A73C4EE_4C81BA80BF11F996_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)C)C=C2)(=O)=O)C4=C3C=CSC3=CC=N4,NHNTWAPBXDROCZ-UHFFFAOYSA-N
-C48DF4E0FD5E6C67_8EBAEE89D2353E87_6028_UN,FC1(CN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C3CC3,DAEAVMAQKPSDFZ-UHFFFAOYSA-N
-C48DF4E0FD5E6C67_98F4440EDA305507_6029_UN,FC1(CN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C3CC3,DAEAVMAQKPSDFZ-UHFFFAOYSA-N
-C5AE62C6612C7475_16E9E7C51E807828_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)[S](N(C)C)(=O)=O,CHQNGQGKXKNORW-UHFFFAOYSA-N
-C657045237F7B4D3_DF769AA4F5ED23DD_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)C3=NN=CC=N3,MGUYLDNVWXEATI-UHFFFAOYSA-N
-C73EBA15231FB51C_DEA2A549E16E61E3_6029_UN,C(N5CCC1=C(C4=C([N]1[S](C3=CC=C(C2=C(O)N=CN=C2)C=C3)(=O)=O)C=CC=C4)C5)C6=CC=CC=C6,OGIOSQDARNVRKB-UHFFFAOYSA-N
-C7730733F80832BF_DF3B5ADDAE01E302_6038_UN,N(CC1=CC(=C(C(=C1)F)Cl)[N](=O)=O)C(=O)C2=NNC(=O)CC2,UOKKNMWOSRZVCM-UHFFFAOYSA-N
-C9842C296150B511_D56DDD2EC999BCAB_6038_UN,C[C@@H](OC(C2=C(C(N1CCN(C)CC1)=O)C=CC=C2)=O)C3=CN=N[N]3C,JJMROUHKKAOJRH-CYBMUJFWSA-N
-CC0E198A2877019D_1D52335AECBCEB75_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC=C([C@H](C)O)C=C3)(=O)=O,FBSCTFMQKIRWRG-LBPRGKRZSA-N
-CE466F0C4AB99A1D_0EC13873E8712C8E_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3)Br,GSEOBDKVNWDPTJ-UHFFFAOYSA-N
-CF33CBA46FA6575F_DF7B54C07D0C1DC1_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=CC=C([S](N4CCN(C)CC4)(=O)=O)C=C5,SJSPPWJLVPVRCK-UHFFFAOYSA-N
-CFFB055FA3377DCE_7E5C5BF67C2DA80B_6038_UN,CC1CC(NC(C[Si](C)(C)C)=O)C(=O)N1C2=C[N](N=C2)C,NTUKENMFZXXMJK-UHFFFAOYSA-N
-D02E428B0520B492_52125BEBDA22611B_6038_UN,CC(OC(C2=C(C(N1CCN(C)CC1)=O)C=CC=C2)=O)CC3=C[N](C)N=N3,SCVVVKJAIYTSNY-UHFFFAOYSA-N
-D04365896C84F824_68171A9BF16B5751_6028_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,GOGRMEYGSDAJAQ-UHFFFAOYSA-N
-D1B87A249051424F_2BD8F580286B1D07_6009_UN,C1(=CCC1)C(C(OC)=O)CC2=CC=C(C=C2)[S](=O)(=O)Cl,YMBJVXDMNBCLFT-UHFFFAOYSA-N
-D25128AADCC70BD9_424708A7FB8129AE_6029_UN,N(CC1(CC1)CC2CC2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,FLHYTEIQTAEEAZ-UHFFFAOYSA-N
-D5064E9313DB5D6D_E67DC7A7F9A36CAD_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C4=C3C=CSC3=NC=N4,ANVPNUSWWNIYJN-UHFFFAOYSA-N
-D5D9D6ED98B3ACD4_16871047877B2F2B_6038_DP,OC(=O)CSC(C[N]1C3=C(N=C1C2=N[N](C)C=C2)C=CC=C3)=O,CANLRVKAYFDKNN-UHFFFAOYSA-N
-D78AE12F34A28F8D_62ABE53B49B73D17_6028_UN,CC1=NC(=NC(=C1)C)N2CCN(CC2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,LQAIXSGQDAGBGC-KRWDZBQOSA-N
-D8FFF74428A24CD0_35EE4D328A75EEEE_6038_UN,CC(C)N(C)CCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,ZQNRFZPDACNFKV-UHFFFAOYSA-N
-DA4FC25FB157264F_CF7E6AE967C80DA9_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,BCFVDXKMAGEZAV-UHFFFAOYSA-N
-DA6D6F2A6EC2A87A_814B2E5BAAF895ED_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=NN=C(C3(C)CC3)[NH]4)(=O)=O,OIACXDFCKJHVNO-UHFFFAOYSA-N
-DA840ED8BBF7DCCF_E8C2067B6C2732D3_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC(CCC)(C)C,WNNYOTZXLBLLER-UHFFFAOYSA-N
-DB3C398B30C58A33_67F572A7262C7259_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CC(C2(C(F)(F)F)N=N2)C3)N4CCOC4=O,CXUIWBQOUXKYIY-UHFFFAOYSA-N
-DDBFF15924B16C58_43AC90060B7B9A02_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC4=C(N3CC(N(C)CC3)=O)N=CC=N4,HJICSUPULZNAMZ-UHFFFAOYSA-N
-DEAF889E066B444B_660D2B8484CCA4EC_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,XFQUQYAHMCIDPN-UHFFFAOYSA-N
-DF4B870200ED0DBD_9C3D46479E1899BC_6043_UN,CC1=N[NH]C=C1C2=CC(=CC=C2)N([S](C)(=O)=O)C3CC3,QZSASIJMFGTKQA-UHFFFAOYSA-N
-DF871EEE57547022_DD4895F2F2CBB9AE_6029_UN,N(N1C(CC1)=O)[S](C2=CC(=C(C(OC)=O)C=C2)Cl)(=O)=O,DXDFNMLFKADDCG-UHFFFAOYSA-N
-E118D2A1F213ECAB_4BF07B89D0C75F64_6026_UN,CC1=C(C=C(C(=C1)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3)C)Br,RTOLTEOUXSWYOV-UHFFFAOYSA-N
-E307ED274D3B5222_A89D7B4FF5149432_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC=C(N[S](C)(=O)=O)C=C3)=O,UGQFQLBMIKFPAP-UHFFFAOYSA-N
-E327A217B2B47CE6_3A84B28591E523D4_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCC(CC)CC,PDDMLEQGFGLHJI-UHFFFAOYSA-N
-E3B2D675662F6C7F_06919E11C6150200_6029_UN,N(CC(F)C1CCCCC1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,WCYNBVNQASRGRO-UHFFFAOYSA-N
-E4B9AF736E08F38B_E603836103968390_6034_UN,COC(=O)CNC1CC(=O)N(C1=O)CC2=C(C(OC)=O)SC=C2,MTXZNHHNLPIANF-UHFFFAOYSA-N
-E530FC0CAEFF17B4_1476AC0B5A694733_6029_UN,BrC1=CCN(CC1)[S](C2=CC=CC(=C2)OCCOC)(=O)=O,GQJCQMWKCNWUBL-UHFFFAOYSA-N
-E551DE37C89D5A80_261F480B50E21461_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,OSSPJQRGLXMQDL-UHFFFAOYSA-N
-E5C3F934555ACCA8_14473E627403EAD6_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4(N(C)C)CC4)=O,LBIODGYBPGMJLG-UHFFFAOYSA-N
-E6E1B9E775CDB9F6_14A5EF42516931B4_6028_UN,N([C@@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=NN=C(C2=CC=NC=C2)[N]3C4CC4)(=O)=O,BNKYICDEFVYRHH-MRXNPFEDSA-N
-E88E180E50A91AAA_BE65AB5B38C9D8B7_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)C)O,VBXSPTOHXZJJBD-UHFFFAOYSA-N
-EA9646341158BB95_62C7D467A7D759D4_6038_UN,CN(CCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CC#C,VOBBFDYWHHVGGW-UHFFFAOYSA-N
-EB79E65A5C683038_40D65E776B01E4AA_6031_UN,O(C(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)B(O)O,MSCIKWUCCIEHMT-UHFFFAOYSA-N
-EBA090DA3235C428_220E16935726EFE1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@H]4CC[C@@H](CC4)N5CCC[S]5(=O)=O,MMZUNKUIUINBKN-JCNLHEQBSA-N
-EBF631FE35C4D571_D4BAE89351AAC7DB_6038_UN,O(CC1=C[N](N=N1)C2=CC(=C(C=C2)F)Cl)C([C@@H]3C[C@@H](N(C)C)C3)=O,FBYHQOPNYUUWBP-MJHDQNEOSA-N
-EC6FC8575C60605E_B4A7136C8AAA1EEA_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,DPFDWYQDWJMIOV-UHFFFAOYSA-N
-EE24D14A61E645D7_97D098D341FB67B6_6027_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,CCFUSUVZUCGCMJ-UHFFFAOYSA-N
-EE3A50228AFCE3D6_EB2A3A2D24E883C0_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=C3OCCC3=CC=C4)(=O)=O,PKMWBDSAXLLNOP-UHFFFAOYSA-N
-EE5A32B2E8C4B17A_74F05ACF5FA1CC50_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)NCC3=C(N2CCN(C)CC2)C=CC=C3,BHDUKLCCRBODHZ-UHFFFAOYSA-N
-F071596430B7DA55_0C2F060AB419F6EA_6028_UN,C1C(C1)N(C2CC2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O,FJJZNKKOJLLJPK-UHFFFAOYSA-N
-F0FD490D6918D516_9EA4FBB04AE05FAD_6038_UN,O(CCCN1CC(=O)NC1=O)C(C2=C(CC(OCC)=O)N=CC=C2)=O,DIAVBMAXJCDABW-UHFFFAOYSA-N
-F10CF4794D48D53D_DB118DF96F4DC87F_6027_UN,C(OC1=CC=CC=C1)C2CCN(CC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,WPONIZRSAXGDNG-UHFFFAOYSA-N
-F2EEBCE0E966EC8A_5971816741A0CFC5_6038_UN,CN(C)C1=C(C=C(C=C1)NC(CCC(N2CCN(C(C)=O)CC2)=O)=O)F,LDCDBIRTFZBBCC-UHFFFAOYSA-N
-F3977006B27E6BE8_1C70D12E11F9C8BD_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=C3)OC)O,HUKKKFFBOIMYLU-UHFFFAOYSA-N
-F3D34C8E5E1D2023_0E96B6E62D9901BA_6041_UN,CC1CCC(CC1)OC2=NC(=CC=N2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,RSXMRFVTLAKIDT-UHFFFAOYSA-N
-F4883ECC85DA42ED_1C45DBE4F9163E6F_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC(C)C4=CC=C(C=C4)[S](=O)C,NQJSSBYOOZOBEW-UHFFFAOYSA-N
-F4EEAD0BCF2CFCDC_35EB1130A467983D_6038_UN,CC(=O)N1CCN(CC1)C(=O)CCNC(C2=C(N(C)C)C=CC=N2)=O,FTONYJNFXOPLRY-UHFFFAOYSA-N
-F613406459202C70_914ABB72A4E9FE9B_6028_UN,CC1=CC(=C(C=C1)C3(CN[S](C2=NN=CC=C2)(=O)=O)CC3)C,DRDLRMQDJVUMQZ-UHFFFAOYSA-N
-F62AD5503F25097F_A672393A3BD57567_6031_UN,O(C(=O)C1=CC=C(C=C1)N2NN=NC2=O)CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,FDHFMLXZJOEHGG-UHFFFAOYSA-N
-FA67F9F7BD7B1562_4DC17696E1B87604_6038_UN,CN2CCN(CC1=CC=C(C=C1)CNC(C(CCCC)=O)=O)C2=O,OQEJWGXONMANMZ-UHFFFAOYSA-N
-FBFF3E9B220F1F9A_011764CB114B3573_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(N(C)C)C=C2)[N](=O)=O)=O,RDCNUGYKUKGNNX-VIFPVBQESA-N
-FD66C02D8BFDECFA_B6EC14F0ED32165B_6038_UN,O(C(CF)C[S](=O)(=O)Cl)C(=O)C1=CC=CN2C1=NCC2,QLCPJMYFNYSJMD-UHFFFAOYSA-N
-FDDB7BAEF3F2E5B5_9B4896E0BFBB61FE_6039_UN,O(CCN1C(=O)CNC1=O)CC(NCCC2=C(OC)C=CC=C2)=O,PWJGPWBBRPEVGA-UHFFFAOYSA-N
-FDEDD0FA08D84071_50600152E09181DF_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC5=C([S](N4CCN(C)CC4)(=O)=O)C=CC=C5,JMDRQHLZZNYKGC-UHFFFAOYSA-N
-FE44C2612BE3EA7B_D2C8B0AFF97A1355_6027_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PCKDEVMHFKKCQV-UHFFFAOYSA-N
-FEF663D9C89981C2_39C4BED329327FDD_7017_UN,N5([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)C(C3=CC=CC(=C3)C4CC4)C5,HDFNKXNBBLYWBL-UHFFFAOYSA-N
-rxn:2:101408:149518,Cc1c(NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)ccc(N2CCN(C)CC2)c1C,ATSBGRBBLYARRO-UHFFFAOYSA-N
-rxn:2:104654:105421,CN1CCCN(CC(N[C@@H](c2ccc(S(C)(=O)=O)cc2)C2CCC2)c2ccc[nH]2)CC1,ASIAWHYXSUGPHC-XMMISQBUSA-N
-rxn:2:108652:147241,CC(Nc1ccnc(N2CCN(C)CC2)c1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,CVROMTBUGMTBTP-UHFFFAOYSA-N
-rxn:2:118258:162580,CCC(Nc1cc(N2CCN(C)CC2)ccc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,QNVIZLAXZJTJST-UHFFFAOYSA-N
-rxn:2:119112:162580,CCC(Nc1cc(OC)ccc1N1CCN(C)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,MCBONVUZUZBOKL-UHFFFAOYSA-N
-rxn:2:119865:149518,COc1nc(N2CCN(C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,GCHWCVMVJNBHDR-UHFFFAOYSA-N
-rxn:2:131811:149518,CC(Nc1cccc(N2CCC(N(C)C)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)cc1,UMBIRWNPDGENON-UHFFFAOYSA-N
-rxn:2:140326:162580,CCC(Nc1ccc(N2CCCN(C)CC2)cc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,LXFVFLYEQGISND-UHFFFAOYSA-N
-rxn:2:69035:149518,COc1cc(N2CCC(N(C)C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,LPRIHINORWCMQL-UHFFFAOYSA-N
-rxn:2:70031:162580,CCc1cc(NC(CC)c2ccc(N3CCS(=O)(=O)CC3)nc2)ccc1N1CCN(C)CC1,MXLDZBUYAUUXNR-UHFFFAOYSA-N
-rxn:2:86191:149518,COc1cc(N2CCN(C)CC2)ncc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,OWWJIOSKPTZKNC-UHFFFAOYSA-N
-rxn:2:87205:149518,Cc1ccc(N2CCN(C)CC(C)(C)C2)cc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,ZFUXLDYLJMPNIU-UHFFFAOYSA-N
-rxn:2:89533:149518,CC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,GHGVJABJEWRGFF-UHFFFAOYSA-N
-00666E956CA08B78_F565FAA31F0D3475_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(C3=CC=CC(=C3)C)=O,LABBHOPXJRDQSF-UHFFFAOYSA-N
-026A86B72EDB537F_7D3529241C0E68C7_2201_UN,C[Si](C)(C)C#CC3=NC1=C(C2=C(S1)CC(C)CC2)C(=C3C4=CC=CC=C4)C5=CC=CC=C5,UMDSYEIBKCQLAW-UHFFFAOYSA-N
-02974ACFA8E9314D_0D47FB943B033376_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,RXIPJPHKLGOZHE-UHFFFAOYSA-N
-036C6731638E22BA_16504576C1ACD5D1_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(C(C(C)=C)(C)C)=O,IUIGMNHJQQPVBZ-QOOHGWKCSA-N
-042942C3A42ECA6F_D5CB2F82459AA77F_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC(N3CCNCC3)C4=CC(=CC=C4)Cl,YIYHYLZTYALCPD-UHFFFAOYSA-N
-06398C256E089687_9D0FF069EC378A2D_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,HJHOUQBTSVPFBH-UHFFFAOYSA-N
-06D8FF24E6D15110_95390F6373CD6055_6041_UN,FC1=C(C=CC=C1N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C)N=C=O,HHYMWOOJYFWHHC-JRZJBTRGSA-N
-0919A91CE1CA22BB_FF575C692B91807F_6029_UN,C1CC(CCN1[S](C2=C(C(C)C)C=C(C=C2C(C)C)Cl)(=O)=O)OC3=NC=CC=C3,QPDAMLOKBUEHSJ-UHFFFAOYSA-N
-093A417367ED6743_994985A9BF442768_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O,LXTFNAQUWCVVQG-UHFFFAOYSA-N
-0A69948EA611AD0C_F97FADBA5B269CB1_6038_UN,N(C2=C[N]1C=NN=C1C=C2)C(C(NO)CC3=CC=CC=C3)=O,GYHWKSNLZGBVRP-UHFFFAOYSA-N
-0CADB1025BC19DDE_7C6B7B63941A379F_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=CC(=C3OCOC3=C4)Cl)(=O)=O,BVBOYQPQTIQFOF-UHFFFAOYSA-N
-0CC8274FF2D1B2BE_96754CDF1678FD46_6031_UN,CC1=CC(=C(C)[N]1C2=C(C=CC=C2)C)C=C(C#N)C(=O)OCC3=NN=C(C)S3,SQMRVSOYNIBQMP-UHFFFAOYSA-N
-0CD6CFF0F9C88DD8_46081892323CB753_6029_UN,N(C1(CCCC1)C=C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,IIUJWWPDEMPPJC-UHFFFAOYSA-N
-0E16E05BD7128053_8A8BBDE153B9E1BF_6035_UN,C[Si](C)(C)C#CC(OC2=C(C)N=C1C=CN=CC1=C2)CC3=CC=CC=C3,UTLATSOZFJYBJV-UHFFFAOYSA-N
-114FDCB46B60896D_5E7B5D4106566A52_6041_UN,CC(C)(C#N)C1=C(N=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,FJJYJRWCPQZKFM-AWEZNQCLSA-N
-11E1B2A650776AA9_BC577707177CFC92_6029_UN,N#CC1(CCC1)N(CC2=CC=CC=C2)[S](C4=C3SC=CC3=CN=C4)(=O)=O,AZTSOCMEMRWVAH-UHFFFAOYSA-N
-127A9DC8A06084A3_9E65B2DEC061DD83_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C(O)O)=O,FSIPNVFQEKBKID-UHFFFAOYSA-N
-13BF9FF6C69E50B9_E0B87F206CD1B833_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C[N](CC)N=C2CCl)(=O)=O,AEVXAHXNRFBWSI-UHFFFAOYSA-N
-13F0DF1636D5E27F_51B8835A65F11490_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4=CC=CC=C4)(=O)=O,QUFLOWBCPWRKGH-UHFFFAOYSA-N
-14FBB9B7096B8DDC_D65701CB66F68D07_6038_UN,COC1=C(C=CC(=C1)OCCN(C)C)NC(C(C(C)C)[N]2C=NN=N2)=O,OKFQMYNYEGKDLD-UHFFFAOYSA-N
-159C97444E2B34D8_37D5E145E09EF04C_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=CC(=CC(=C4)C)C)(=O)=O,WNWPXOFYXLXYLP-UHFFFAOYSA-N
-16732D864451A5B2_2211AEFE812E6D44_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NC(C)C3=CC(=C(C=C3)N4CCN(C)CC4)F,GPSFCJFUGDYKRZ-UHFFFAOYSA-N
-193F40FE2785D1F0_21D9D3C6C39EB259_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NC4=C(C(N3CCCN(C)CC3)=O)C=CC=C4)F,GQNZWBDKPPOOID-UHFFFAOYSA-N
-1A0537729645430A_5B1283152DDB8343_6038_UN,CCOC(=O)[C@H]2C[C@](F)(COC(C(C)(C)[N]1C=C(C=N1)[N](=O)=O)=O)C2,VGVLGRXYCRWIQR-AVCCJPFPSA-N
-1A59CF10AFE86769_7AB63AEA165C7721_6029_UN,CC1CN(CCC1CO)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O,PFKNGIKQKVXOJM-UHFFFAOYSA-N
-1A91F242FF3141F4_517E297C6B2F527D_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NN=N[N]3C4=CC(=CC(=C4)C)C)(=O)=O,YVTDLGSKLALVLE-UHFFFAOYSA-N
-1A92F90D777ACD4D_FD277E96F76AD7BF_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NN=N[N]3C4=CC=CC(=C4)C)(=O)=O,XBVCGIAICDPFFO-UHFFFAOYSA-N
-1BA59755E6D51114_7BF7803E248E4F97_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,MPCGCQXDUBODBE-UHFFFAOYSA-N
-1CA2FE2F35600A5A_A423828148BE7109_6034_UN,CC(C)(N)C2=NC1=C(C=CC=C1)N2CC#C[Si](C)(C)C,ATKLEXXDLMPFKP-UHFFFAOYSA-N
-1CAA067B36FE648D_9737AB8461F3D942_6029_UN,N(CC1(CCCC1)SC2=CC=CC=C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,FIJQVPQVBWHUAI-UHFFFAOYSA-N
-1D1E1107E4CE406C_8B53685399BB5333_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3C2=C(C=C(C)C=C2)CC3,RPLRIEDLUYJLNM-ZVAWYAOSSA-N
-1DB1650B52902273_7B8ECCE5FDC276F9_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,QEPHDPZHUURRFJ-TZIWHRDSSA-N
-1F95F23F8E0AB37D_0B5A73A3C1FB5FF9_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,VUBKGGXGINCLMB-UHFFFAOYSA-N
-240F62602A9A41D3_B322334CE9891D21_6041_UN,CC(C)(C#N)C1=C(C=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,KBNMICBYCBAVDW-HNNXBMFYSA-N
-241DFEA8E30D9A4E_4A0743E5A9191976_6035_UN,C[Si](C)(C)C#CC(OC1=CC2=C(C=C1)N=CN=C2)CC3=CC=CC=C3,QOBLQZVNKUBQST-UHFFFAOYSA-N
-24E1BA1BFA99F1F8_781C10F57C915430_6028_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,PISLPKKSZJISHT-UHFFFAOYSA-N
-25A2F6737FFE37B5_B655EAD1FE9D2DB4_6038_UN,COCCCC(NC(C(C(C)C)C1=CC=CC=C1)=O)C(=O)N(C)C,OKPNALPFVRCESD-UHFFFAOYSA-N
-29A8D28AB1431A67_D2A7BBEFA170F4BB_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,YTYBRTYWZVAGMM-UHFFFAOYSA-N
-2C00BB15B01BDACD_612839C6EEB69579_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C([N](N=C3C)C4=CC=CC=C4)C)(=O)=O,AAHZOZXAQQDQBB-UHFFFAOYSA-N
-2CD3BCEDDDDE84BE_8DD5EE6BB528C9DB_6005_UN,OC1=C(C=C(C=C1)C2=C(OC)C(=CC=C2)O)C3=CC=CC=C3,GDDWMHCPEJQZQH-UHFFFAOYSA-N
-2E192E86254641B3_CFD8E16A4CCD0BA9_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)CN(C)C4CC4)(=O)=O,LYOYHMOXEOMTME-UHFFFAOYSA-N
-2F2697E71B7C8B39_D3D475A6D48D0EE0_6029_UN,FC1=CC2=C(C=C1)N(CCN2[S](C3=CC=CC(=C3)C4=C[N](C)N=C4)(=O)=O)C5CC5,IOMNSBKXJZVAJV-UHFFFAOYSA-N
-307A3A05F160218E_52A72DFA754288B5_6035_UN,C[Si](C)(C)C#CC(OC1=CC(=CC=C1)[N]2C=NC=N2)CC3=CC=CC=C3,ZUYXSNSBTDLKMZ-UHFFFAOYSA-N
-31A58E0959DCADA5_6BB06D3A60AF2421_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CC=CC=C4)(=O)=O,WRHWBOSMXMRZJC-UHFFFAOYSA-N
-32CE706DFA431C4F_FC0E2AD2DD1F9804_6029_UN,N(C(C1CCC1)C2CCC2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,BYHNDAUWVZIKSC-UHFFFAOYSA-N
-34CB609069AD3564_FFF6AF988BE1550C_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)[C@@H](C)O)F)(=O)=O,NHYJKDJWFIWDMJ-CYBMUJFWSA-N
-387BF4376A2FE6EF_B31AC30DA27AB5F2_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3CN(C3)C4=NC=CC=C4,XFPROGAQSWRWBY-UHFFFAOYSA-N
-38B2FCE275C1AEB9_3DD6EB0E919BF5F7_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,PYKLAJFSOIZCGI-UHFFFAOYSA-N
-3A144C6354C8D6C0_B1013227CDABD6A9_6029_UN,N(C(C#C)C1CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,PBHMRHUGTHFQRZ-UHFFFAOYSA-N
-3A92501C5CC45FCC_29712BA1F8487B26_6029_UN,OCC1(CCN(CC1)[S](C2=CC3=C(C=C2)SC(=N3)C4=CN=CC(=C4)O)(=O)=O)C5=CC=CC=C5,ZYLSYYJREVZNQB-UHFFFAOYSA-N
-3B5906ABC6F75186_7931C43AB673418C_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC(CC(C)C)C(=O)N(C)C,CQEIBLZMZFYPBK-UHFFFAOYSA-N
-3C675A36FBD3D29C_3642AFBCECB34BE7_6005_UN,OC1=C(C(=CC=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)O,UVRPPYHSTSSDOB-UHFFFAOYSA-N
-3D14FA5810BA80C6_A8F8D00FA2597E83_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C3=CC=C(CC(O)C2CC2)C=C3)(=O)=O,VUBSSTGBMDDMLL-UHFFFAOYSA-N
-3EC01EEDA798702E_9920746EA5CD5A86_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C4=C3C=CSC3=CC=N4,BPBWURSRQLEUQM-UHFFFAOYSA-N
-3FAD3B6FE267A0E5_2E722FB2CB5DC4AF_6029_UN,C1CC(CCN1[S](C2=CC=C(SCCO)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,JWLGFARKSZQGEF-UHFFFAOYSA-N
-3FF971B74FFB06EA_0B48714B83ADE390_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C4=C3OC5=C(C3=NC=N4)C=CC=C5,LQFMYTYPUVUMAU-UHFFFAOYSA-N
-4056BB7BDCB985CA_066BD28868CD18AC_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C)C=C3)N4C(=O)CCC4=O,KUTWHIWJSZWZKR-UHFFFAOYSA-N
-405BA54CEC001FDD_F6537203E07A2F79_6028_UN,N(C1(CCC1)CC2=CC(=CC=C2)F)[S](C3=CN=C(C)C=C3)(=O)=O,WLNFEPSNADXVNP-UHFFFAOYSA-N
-41CC1063BEDDD8EF_9B163DC4C3223135_6029_UN,CC1=C(C=C(C=C1)CCN[S](C2=NC=C(C=C2)C3CC3)(=O)=O)C,DXSHOVUVEGEFHW-UHFFFAOYSA-N
-41D262EEBADD8FD8_4B97B4A8C0389886_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,HZQCZNGRFWPJOW-UHFFFAOYSA-N
-42844987052AA4A7_4BACB28EE7D0230F_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,AOTPOIYMYGNBAB-ZDUSSCGKSA-N
-433C69154576BD01_CAE3DE5CB9D6A7C7_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N4[S](CC(C)(C)C4=O)(=O)=O,COYIUMMFRPWMMF-UHFFFAOYSA-N
-44D5C4E146C7B66B_E43A6D4646141E43_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,SAJUZINVMOGFLD-ZWKOTPCHSA-N
-45FC8B20F5522EE4_9EFD66C65ADBDAE0_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(C)(C)C3=C(C=CC=N3)F,ONMUGKOKWQRKHM-UHFFFAOYSA-N
-473040C050A2201B_BDDE3FF8369EEE5F_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)C4=CC(=CC=C4)Br,HVGPOJSOVHQKSK-UHFFFAOYSA-N
-47A8675C7A9D7FE1_E6214AC7F8D5CCCC_6038_UN,CC(C)CC(NC(C1=CC(=C(C(OC)=O)O1)C)=O)C2=NN=N[NH]2,SZLWYQDSEDSWQN-UHFFFAOYSA-N
-480E682E17A20AF0_3FC4F9792D2905D1_6035_UN,COCC(OC1=C(C=C(C=C1)Cl)C2CC2)C3=CC=CC=C3,XISGCRGXPLQKJK-UHFFFAOYSA-N
-48C05FC818A96DFC_3D105D9366A2FFBA_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCCN(C3=C(C)C=C(C=C3)F)C4,CNGSFCKEWYEYTH-UHFFFAOYSA-N
-49BB63C256200E54_C5FE8043C46CD519_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=C(C=C3)C#N)CC4)Cl,DZZSUHXADZSPJZ-UHFFFAOYSA-N
-4A61C4D487CCC97D_C0FF438DD281BF12_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3C2=C(C=C(C)C=C2)CC3,RPLRIEDLUYJLNM-QRWMCTBCSA-N
-4B468809AD32C060_F4D5B88473E47BB2_6029_UN,N(CCCN1C(C=CC1=O)=O)[S](C2=CN=C(N(C)C)C=C2)(=O)=O,BBMDEGWAANPUOU-UHFFFAOYSA-N
-4BDB7C1BDB8D104A_2C8E82EE44A70140_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(C)(N3CCNCC3)C4=CC=C(C=C4)Br,NMJNTEYSCNFMEE-UHFFFAOYSA-N
-4BDC48617652568D_A3CA06CD125F7B51_6029_UN,N(C1(CCCC1)C#C)[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O,NELXDQFNJSROBX-UHFFFAOYSA-N
-4BE435A4F9AC3567_D898E8C6261BC97D_6041_UN,OC(=O)C2=C1C=CC=C(C1=NC(=C2)C3=CN=CC=C3)NCC4(C(C)(C4)C)C,GCWATOBYWAHKOF-UHFFFAOYSA-N
-4D3C12125BC11BAE_788082B37AA4DECC_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=C(C=CC=C2)C3CC3)(=O)=O,WAXYVQOMEMQMTQ-UHFFFAOYSA-N
-4FC8873AE74593A2_1BEF77B9BEFA7978_6029_UN,CC1CN(CCN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)C3=CC=NC=C3,NBDPILMTIQHBJB-UHFFFAOYSA-N
-4FEC922476088257_F847D7909B2552D2_6029_UN,C1C(CN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)OC3=CC=NC=C3,YTWWRHHFONLNFX-UHFFFAOYSA-N
-503FBFA7934D9F0B_BE23A9F1F170C496_6029_UN,N(C(CC1CC1)C#C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,GWRVINSVZFMOMF-UHFFFAOYSA-N
-540F103DE9290C3A_51DBB6A267DB9792_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4=CC=C(C3(C(OC)=O)CC3)C=C4,BYANCXVVEUOMTR-UHFFFAOYSA-N
-543BF9D721ABFE34_6EB792FB4CCFAAEC_6029_UN,N#CC1=C(C2=C(N=C1)C=CC=C2)N3CCN(CC3)[S](C4=CSC(=C4)C(C)(C)O)(=O)=O,YTZXFLWTNLQRAI-UHFFFAOYSA-N
-546C0656D2C031C8_7E4EEB31C33B6EFC_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=NC(=CC=C3)C,OOARTQYGPUIMMM-UHFFFAOYSA-N
-54718B7D8C6183A8_F6761CF851ACDF6F_6038_UN,CC(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCC=C(C)C,NNXSZMGRQNUHIK-UHFFFAOYSA-N
-5615BB490BFF6A7C_927BF1CC4CAD2A9B_6026_UN,CC1=C(SC2=C1C=C(C=C2)C#N)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,HWPQNZWNRIXNEF-UHFFFAOYSA-N
-56E4C1EB891E7645_263573E8A7F061CF_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OCCCCC)N=CC=C2)(=O)=O,MIHOGJCSHLDTDD-UHFFFAOYSA-N
-57021D57BB7F237E_D6F02295297AC7BA_6041_UN,COC(=O)C1=CC(=C(C=C1)C(C)C)NC2=C(C=CC(=C2)C3=N[NH]C(=N3)C)C,OYAALASRKDLYOU-UHFFFAOYSA-N
-57C542932D645BD1_DFE3414B5C670DF7_6029_UN,N(CC1=C(C=CC=C1)C2CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,BPPZZNYURZBRDU-UHFFFAOYSA-N
-5881A73D68BE1FEE_2D05BC4EC669678C_6038_UN,CCOC(=O)[C@H]2C[C@@](F)(COC(C(C)(C)[N]1C=C(C=N1)[N](=O)=O)=O)C2,VGVLGRXYCRWIQR-LGZQZNNBSA-N
-58DBC147C7747414_739280692826AD4D_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=C(C#N)C=NC4=C3C=CC=C4)CC5)Cl,YXXMATQDNJDNQT-UHFFFAOYSA-N
-5926DFDD26CC1CF0_D31D73E4A79606FB_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,PQUAHLUACDFCFH-NHCUHLMSSA-N
-59D27EDFB3F4257D_1427E294AD32AC1E_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC(=CC=C2)C3CC3)(=O)=O,SCSNVZLTAZFXOS-UHFFFAOYSA-N
-5CC514C357F7753D_BDCFA0BD33DD293D_6029_UN,CC1CN(CCN1[S](C2=C(O)N=CC(=C2)C(F)F)(=O)=O)C4=C3C=CN=CC3=CC=C4,XIOCIELTCQLTOY-UHFFFAOYSA-N
-5DA4F2A240A2C2C6_0D8E7AB6A6409110_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(OC)C=CC(=C2)I)(=O)=O,PJXPZCHBZHZKHJ-UHFFFAOYSA-N
-60CC46A04FF4E495_F44207250D2F641E_6029_UN,C1C=C(CN1[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,LECCXRPIRQMZFC-UHFFFAOYSA-N
-6126C76D280D05CA_4D5FAF6986CD427E_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=C(C2=NC(=N[NH]2)C(C)C)C=CC=C3,IOOQPMYYIDGIKA-KRWDZBQOSA-N
-6126C76D280D05CA_D437BBDAB9B044F2_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=C(C2=NC(=N[NH]2)C(C)C)C=CC=C3,IOOQPMYYIDGIKA-KRWDZBQOSA-N
-619C87D82BEFEAB4_6F1121C9D472A021_6035_UN,C[Si](C)(C)C#CC(OC1=CC=CC(=C1)C2=N[N](C)C=N2)CC3=CC=CC=C3,NAPRCZDTHUGBNA-UHFFFAOYSA-N
-658D8C601A61FC8E_70F417BEDBFB3D99_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=C([N](N=C3C)C)C4=CC=CC=C4)(=O)=O,XGDKKKBNCZNVSZ-UHFFFAOYSA-N
-6609BCE2A025C375_AD14288FD14A3379_6041_UN,CCC2=C(C(=C1C=CC=CC1=N2)NCC3C[Si](C)(CC3)C)C,DBSBKLAIZQVZLS-UHFFFAOYSA-N
-6700A4B39402E8E9_4C4E5A0AA72138C5_6029_UN,N#CC1=C(N=CC=C1)N2CCN(CC2)[S](C3=CN=CC(=C3)C(O)(O)C(F)(F)F)(=O)=O,OILWLRLHKQYNEM-UHFFFAOYSA-N
-68D0F43A1F36D726_138CE2BC9627314E_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(C(C)C)N=C(N=C3)C)=O,YTZZZSDJTYCVKO-UHFFFAOYSA-N
-698446E4B8A8DB7F_0D9EC1E54BEC9C94_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O,KTRKADCITJOLAD-UHFFFAOYSA-N
-69EA4552AA2F11B4_45FDE5803BB60483_2201_UN,C[Si](C)(C)C#CC1=NC5=C(C(=C1C2=CC=CC=C2)C3=CC=C(C)C=C3)[N]4CCCC4=N5,VDIAHCFXEOOEPZ-UHFFFAOYSA-N
-6B34E8AB5CE457D5_DB3B46AFB99D81E1_6029_UN,N(C1(CCC1)C=C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,KYQZDOMLSNRFAR-UHFFFAOYSA-N
-6D2C176F981439E3_F990D4514FF6BA42_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,NYBLGEZZEMWYCE-UHFFFAOYSA-N
-6E31ECC9DF537C7B_B20A21681983ABFE_6029_UN,OCC1(CCN(CC1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CC=CC=C3,RWBDYQQFXAMMAK-UHFFFAOYSA-N
-721C0252BF072198_A30FBD21EEEF83A9_6029_UN,N#CC1(CCC1)N(CC2=CC=CC=C2)[S](C4=C3C=COC3=CC=N4)(=O)=O,ZYSYGKWZOLXKOX-UHFFFAOYSA-N
-727FAFC8EC7D6C36_5197B02917AD425F_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3Cl)CC4,DNLFJQRIQIBTAY-UHFFFAOYSA-N
-72D8B3F8482ABEE7_0F732F560D7961D2_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4=CC(=C(C(OC)=O)O4)C,LVGWLAZSEZEYQN-UHFFFAOYSA-N
-7395D4099C20B794_6BDC21B543018A8B_6039_UN,COC1=C(C=CC(=C1)C2=NN=N[NH]2)OCC(C3=C([N](CC(OC)=O)C(=C3)C)C)=O,BIWCKUCRTBZVCD-UHFFFAOYSA-N
-748B1115DAA78E6D_61DB20EF83CBF1B8_6029_UN,N(C1(CCC1)CCO)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,VVIVATYZIIKSPV-UHFFFAOYSA-N
-74B9E3C8F1FA4D69_60CD1653DAEFD2D0_6029_UN,CC(N(C1CC1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=CC=CC=C4,CPAMXBJFWMKGMH-UHFFFAOYSA-N
-76F318953940C260_C7264C8781F3CDFD_6038_UN,N(CC1=NN=N[N]1C2=C3C(=CC=C2)C=CC=C3)C(C(O)O)=O,KYBZXRQQZGUBKX-UHFFFAOYSA-N
-7A0B3562183E3182_F9A880D1D84ABFC2_6036_UN,C(C1=C[N](N=N1)C2=C(C(=CC=C2)Cl)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,KVWROIMAKCDZJD-UHFFFAOYSA-N
-7A59EFEDFECDB82D_F0EFD66EE0E83CC6_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=CC=C(C3=CSC(=N3)C)C=C4)(=O)=O,SDSMAHLDCDZEFD-UHFFFAOYSA-N
-7A79AC4D8241C45E_2561F772701F4B9D_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=CC=CC(=C3)CC(C)(C)O)(=O)=O,ZEEMUVKEBHNVTK-UHFFFAOYSA-N
-7BDFBBAFCD76F126_7FE1D0D8319F0F55_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,DGXDRFHHVMFTLS-UHFFFAOYSA-N
-7C8F902635DBF496_41642B78C4622837_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,GCOVTGYQOHUSQT-UHFFFAOYSA-N
-7DC89BF122FECFE4_342A852F6F86F39E_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(CC(C)C)(C)C#N,BXBWHMYGPCRZRB-UHFFFAOYSA-N
-7E5B8262AFB24296_F778BEE8A13D03C9_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC=C(C=C2)C3CC3)(=O)=O,SXNOKNNZURGLDF-UHFFFAOYSA-N
-7E88B8A858E492D7_5E06D58CA5CC4410_6029_DP,N(CC=CC1=CC=C(C=C1)F)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,QHKXBVRYDBODBZ-UHFFFAOYSA-N
-7E9453550F135D6E_043CB3A6AA6213C4_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@]3(CC[C@@H](C(N(C)C)=O)C3(C)C)C)=O,KRHXPQKJHKLOGB-KSFYIVLOSA-N
-7F954CC26DD1A20C_F076F6A530C51E1B_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC(C[C@H](C)C3=CC4=C(C=C3)OCO4)=O,VEKAFOLUUKUDNO-NSHDSACASA-N
-802498336E535C0B_030BE957706A33D7_6035_UN,C[Si](C)(C)C#CC(OC3=C1C=CC=CC1=C(C2=CC=C(C)C=C2)N=N3)CC4=CC=CC=C4,VVNZHCKLWRPKIV-UHFFFAOYSA-N
-817C5213E1BE40D4_FFE0FFEB8F234AF8_7017_UN,N4([S](=O)(=O)C1=CC(=C(C=C1)F)C#N)CCN(C3=CC(=C(C2=CN=NC(=N2)N)C=C3)F)CC4,BFOJYYPBLOGCQX-UHFFFAOYSA-N
-828A45A7D28E63D6_35BCC27355CFE868_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(F)C=C3)C#N)CC4,HCQJJSKYPZGRFY-UHFFFAOYSA-N
-83547FC4ABCFEC4F_600EA45444889BAC_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=CC(=C2)C)[N]3C4=CC=C(C=C4)Cl)(=O)=O,UJRSHOJMBRKYPW-UHFFFAOYSA-N
-84363A8D1D97F0EB_063B58BE0B747684_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)C4=CC(=CC=C4)I,GSABUNRXFRZYMX-UHFFFAOYSA-N
-848C53A6C227CD67_828F81D2CD732C72_6029_UN,N(CC(CO)C1=CC=C(C=C1)Cl)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,DLABNORTAHDYQC-UHFFFAOYSA-N
-86CD5A7AE0DE9748_7BAAE34B68E491E0_6029_UN,FC1(CCN(CC1)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=CC=CC=C3,QNQLJSFWHPLNOP-UHFFFAOYSA-N
-86FFDF7BA5869059_E075B544DD56AF71_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCC)C(=C2)Cl)OC,CBITUBVVKBHEKP-UHFFFAOYSA-N
-87807DE0BAC035BE_CBA426A9785E9078_7022_UN,COC1=C(C=CC(=C1)C)OC(COC)C2=CC=CC=C2,MAXYIQXDGDRGNI-UHFFFAOYSA-N
-8832E3BAB9843C25_A9BE960E99738A91_6028_UN,N(C1CC(C1)(O)C2(CCC2)O)[S](C3=CC=C(C=C3)C4=CC=CC=C4)(=O)=O,MUKXFCOEFQDBHF-UHFFFAOYSA-N
-885F14C1710A7365_AEE4236CBCB0D896_6029_UN,N(C2(CC1=C(C=CC=C1)F)CCCCC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,KYHVZDQZNUBTCK-UHFFFAOYSA-N
-88AF8723B0993F88_BFA0920C6652DFF7_6029_UN,C1CN(CCN1[S](C3=C(C=C(C2(O)CC2)C=C3)C(F)(F)F)(=O)=O)C5=C4C=CSC4=CC=N5,YGJNHDFIBOIXHX-UHFFFAOYSA-N
-88E30CC01FB744A4_1F73F222CD07F60D_6029_UN,N(C1(CCC1)CC#C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,ODKPOROXKLDOOE-UHFFFAOYSA-N
-893F86E980EBEFE8_1979CE6CDE638A80_6031_UN,CC1=CC(=C(C)[N]1C2=CC=C(C=C2)C)C=C(C#N)C(=O)OCC3=NN=C(C)S3,UALHKDBWWXKOTQ-UHFFFAOYSA-N
-89AF5B2E17862AD2_324D792BC64A1480_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,WFGONMJNIGEILY-UHFFFAOYSA-N
-89EF7660A4878447_12256334E574F600_6038_UN,CC(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CC(C)(C)C,KDRHZGPRMKRIRX-UHFFFAOYSA-N
-8A3B73B7A8582255_8EBC927E7F960BEE_6029_UN,N(CC2CCN(CC1=CC=NC=C1)CC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,OWCFEMSZPLDCKO-UHFFFAOYSA-N
-8AD58898D9223C98_C14991EB00584B71_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCCC4=CC(=C([N]4C)C)C(C)=O,IOJIOMPBYXLJNG-UHFFFAOYSA-N
-8D29ADB39BF1DB75_40811C3C123A966D_6035_UN,C[Si](C)(C)C#CC(OC1=CC=CC(=C1)C2=NOC(=N2)C)CC3=CC=CC=C3,AXNIHMYPCBLAFE-UHFFFAOYSA-N
-8E70389A9706BD12_03058CCF0F048F13_6031_UN,COC1=CC=C(C=C1)[N]2C(=CC(=C2C)C=C(C#N)C(=O)OCC3=NN=N[NH]3)C,JMADSFQIEKLIBZ-UHFFFAOYSA-N
-8EC8B2C8A77A8987_E755F3C33F1B2D25_6038_UN,CC(C)COC(=O)N2CCC(COC(C(C)(C)[N]1C=C(C=N1)[N](=O)=O)=O)CC2,IJENWYLDVZGYKY-UHFFFAOYSA-N
-8F054444D1D4C353_B18A0BB0CCA4329C_6035_UN,CC1=C(C=CC=C1)C(OC2=C(C=C(C)C=C2C)[S](=O)(=O)Cl)C3CCNCC3,ASKUUVGULBPJQF-UHFFFAOYSA-N
-8F38678E0AB393D5_8B7D416CE6D81A52_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC(N3CCNCC3)C4=CC=C(C=C4)Cl,LSQLFEPCADWNSO-UHFFFAOYSA-N
-8FAA3CA335DC96FF_1851203535CB12BE_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCC4,LYUJWKAZRLCUIT-UHFFFAOYSA-N
-8FDB22F3B9879277_2A4258A52E66CE76_6029_UN,N#CC1=C(C2=C(N=C1)C=CC=C2)N3CCN(CC3)[S](C4=CC(=C(C(C)(C)O)C=C4)Cl)(=O)=O,BSSPLSKMNHBEMK-UHFFFAOYSA-N
-9053FB1AF4F86F62_70719ADAB91F9351_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C5=C4C=CSC4=NC=N5,BKMKNUKZRDSNAW-UHFFFAOYSA-N
-91822FC6023261AC_A5E336091B8DA0AB_6035_UN,CC(OC1=C(C(OC)C(=O)OC)C=CC=C1)C2=NN=C(C)O2,XXCGGWCUUICZII-UHFFFAOYSA-N
-9730A0F5DFBE38FC_2F380EEDE3A7EF19_6029_UN,N(CC(C1CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,ZZTHJRCOVGCHQV-UHFFFAOYSA-N
-99A1C8F01E84320C_993CC8B570CED11D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C3=NN=C(COC2=CC=CC=C2)O3,XLOBUWHOGQQEFT-UHFFFAOYSA-N
-99F31CF3D2D74F88_E31DB3381287D1FB_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=C(C(C)C)C=C2)(=O)=O,TYVSVLPJCKAGBJ-UHFFFAOYSA-N
-9A79C7F526941FA0_F14E3785E0FF8F2C_7005_DP,[NH]2C1=CC=C(C=C1N=C2CC3CC(O)C34CCC4)C6=NC5=C(C=CC=C5)S6,DKSFPKKJSDTXAO-UHFFFAOYSA-N
-9BF595FC887063F4_D7F00E22CF280446_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OC)C=CC(=C3)C(=O)N(C)C,HEIZDVYPMDOZAM-UHFFFAOYSA-N
-9CEE58CE04D21876_4F21DE5E261B190C_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC4(C3=CC(=C(C(OC)=O)C=C3)C)CC4,BLYOPUYCOHCYBI-UHFFFAOYSA-N
-9E43CAD256D479FC_E79DF797552F91DF_6038_UN,CCC(CC)C(CNC(C1=CC=C(C(OC)=O)[NH]1)=O)N(C)C,SDPRRLAALIBJNP-UHFFFAOYSA-N
-9E9F484DFEF6F5C0_8DC63E347D617AAA_6038_UN,COC1=CC(=CC=C1)C(C)SC(C2=CC=CC(=C2)C3=NN=C(C)O3)=O,HHLSYJBMPFQJEQ-UHFFFAOYSA-N
-9EF986250C56607B_6FAFE8A2A9A83540_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=C(C=C3)C#N)CC4)Cl,QUMWMWJIZGJLHM-UHFFFAOYSA-N
-9FACD94A304B134C_CFE221C72396803C_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=C(C=C3)Cl)C4CC4,KEXRWRLHAGVPRS-UHFFFAOYSA-N
-A1A5C65ED8E60999_50F03C0D57769AAB_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C(C)C)C=C2)(=O)=O,MOLKLHHGIZCVQP-UHFFFAOYSA-N
-A28EFA6D076490F0_0B607ECBA2F8C6D3_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(C3=C(C=CC(=C3)C)C)=O,GVVXLFBDBREVLE-UHFFFAOYSA-N
-A3A48D6E5FD1270B_E8359A73DE0367AF_6039_UN,O(CCCN1C(=O)CNC1=O)CC(NC2=CC(=C(C(OCC)=O)S2)C)=O,AMLWYKOGIXUVJQ-UHFFFAOYSA-N
-A76695A291E8885A_1C0BD1DBF80893C9_6041_DP,CC1=NC(=NC(=C1)OCC2=CC=CC=C2)N[C@H]([C@H](C)O)C(=O)O,ZOMDBTMWDNDADX-SMDDNHRTSA-N
-A7B8FB36F221A8AB_50D1E6B0EB508986_6039_UN,CCCC(C)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,JHRJJFIGRRTLEJ-UHFFFAOYSA-N
-A819D9602E27B220_29AB95385050D86A_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C=CC(=C3)C#N)(=O)=O,VTDLWNAXYHXFPB-UHFFFAOYSA-N
-A94BF79E6B93801F_939D405E65BD6B98_6006_UN,CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CC(=CC=C4)C5(O)CCC5,DYYAUZRSKPDIDJ-UHFFFAOYSA-N
-AA1F74F069FF5345_13727DBA7C3D0258_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4=C[N](C)N=C4)(=O)=O,IOIFRXKPPRSCMF-UHFFFAOYSA-N
-ADCFA905960648DE_9BDCD50EDA02C648_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(OC)=O)C=CC=C3)(=O)=O,KNRFOILCGDUHQX-UHFFFAOYSA-N
-AEA7AF8E5BDB24D3_BDE4C8BCFCA21E8C_2267_UN,OC(=O)C1CC(O)(C1)C#CC2=CC=CC(=C2)C3=NC=N[N]3C,AYVKLWRBIFQPFI-UHFFFAOYSA-N
-AEED0A8CA6A26A34_5BE555C296B47507_2201_UN,C[Si](C)(C)C#CC3=NC1=C(OC2=C1C=CC=C2)C(=C3C4=CC=CC=C4)C5=CC=CO5,ZEVWOMOGWHEBSK-UHFFFAOYSA-N
-AFE563E464CF834B_1D3D7BCC6716B46A_7017_UN,CC1=C(C=C(C=C1)C(C)(C)C)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Cl)CC3,UBUKHGZFXRCRSO-UHFFFAOYSA-N
-B052743E8952D564_A90B5EA021C1847C_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,NFKLHZOWFCJTRK-UHFFFAOYSA-N
-B0D914F1E997718F_9CC4A5BF708D2ADA_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCCN3C(C=CC3=O)=O,IQOIKLVYSIFKIG-UHFFFAOYSA-N
-B37C3DB2E10F1296_D1EFA57A486F7F74_6029_UN,N(CC1(CCC=C)CC1)[S](C2=CC=C(C(C)F)C=C2)(=O)=O,ZXMNLNIBXQPVTP-UHFFFAOYSA-N
-B8C7AA6C710AF52B_4B74C5305FCA5D30_6029_UN,CC(N(C1CC1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CC=CC=C4,GCAJMBKLPDLXQR-UHFFFAOYSA-N
-B9C162B329E5D2CD_B51028B30EE5BDC8_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C([N](N=C3C)C)C4=CC=CC=C4)(=O)=O,UQNFKSSUTFDZNT-UHFFFAOYSA-N
-BA01D2B50B057E43_B7BFE4D35EA20DF4_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OCCCC)C=CC(=C2)C)(=O)=O,MJGDQXRRHPPHNG-UHFFFAOYSA-N
-BFEDFDFEB50443F3_2289EAEC09B0CEDD_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C(C(C)C)C3=N[NH]C=N3)=O,GIAZBZHIEIHBEL-MLCCFXAWSA-N
-C0B2A641BAA5D63A_77926B74CB36E4BD_6034_UN,CN1C(=O)N(C(=C(C#N)C1=O)Cl)CC(C(C)(F)F)C2=CC=CC=C2,MFBUKAMFEXDWNL-UHFFFAOYSA-N
-C0B3058D8974A275_22465DB6FA0E09AD_6031_UN,CC1=CC(=C(C)[N]1C2=CC(=CC=C2)C)C=C(C#N)C(=O)OCC3=NN=C(C)S3,PZMSYVAXHJDXAQ-UHFFFAOYSA-N
-C0C3BEA3E4964426_F81CD06D8BDD6AAA_6029_UN,N(C2(CC1=C(C=CC=C1F)F)CCCC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,SFJOZTBCHVEMAI-AWEZNQCLSA-N
-C18E10F8C5080F71_5E9325CD3656C4C7_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3OC(C)C)C(OC)=O,UAMARADRPZDQAD-UHFFFAOYSA-N
-C1A453A86322C633_635232705808C282_6029_UN,N(CC1C(C1)=C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,VPNLQAZHINAHLP-UHFFFAOYSA-N
-C1BC0EFE3A80CDDF_9BBD387FBCE68DE5_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)C(=O)NO,FFIUNVKFQYWHJR-UHFFFAOYSA-N
-C1C547C5275EE3EC_BEF0814CA9E87C86_6029_UN,N(CC1=CC=C(C=C1)CC2CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,ZYAVWDIDPKXRON-UHFFFAOYSA-N
-C73AFD905817B1B8_949C2C7AD103D5F0_6029_UN,FC1=CC(=CC(=C1)F)N2CCN(CC2)[S](C3=CC=CC(=C3)CC(C)(C)O)(=O)=O,YYGMRAYXLIBLTC-UHFFFAOYSA-N
-C833C267477BC25F_FD08ECEAA51D5EEA_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(CC3)C4=CC=CC=C4)Cl,UREKNAGBLQQVKM-UHFFFAOYSA-N
-C88EE93D8D4C1A9D_1BD85219F12770E6_6029_UN,N(C(CC1CCC1)C#C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,AQUVXCBRVZICCO-UHFFFAOYSA-N
-CD06FC4F074AB84E_38CEDBA5EB031C8C_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C,QWKULFQOTJUAGL-UHFFFAOYSA-N
-CD2EA85DD76F399D_BA51E26F57A345C0_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,TZGDRSHXOWQJGV-UHFFFAOYSA-N
-CD345CB421099A39_3446D7728F473B99_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,AVBJSPZLKQAXPX-UHFFFAOYSA-N
-CE38EBFBCCA72023_D1052C0B6D471060_6038_UN,CC[C@H](C)[C@H](NC(COCC1=NC=N[N]1C)=O)CN(C)C,RXCOZZSVKDMDBD-NWDGAFQWSA-N
-CE4F9F3BD336870B_5C804C40FD403E5A_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)C4=CC=C(C=C4)I,LQMAGYVQIQJJPJ-UHFFFAOYSA-N
-CE501F76A7D7E357_476064A862C4C40D_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,ARYFPNLGCPDUDN-HNNXBMFYSA-N
-CE680FCD5FE931CE_CB6FCF9B3BAE449E_6029_UN,OC1(CCN(CCC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O)C4=CC=CC=C4,GDPXLMZNYVLSBR-UHFFFAOYSA-N
-D31B26E0AB70EC03_4D73A55A8F9C86CA_6035_UN,C[Si](C)(C)C#CC(OC3=C2N=C1C=CC=CC1=NC2=CC=C3)CC4=CC=CC=C4,XWEBTXAAIOYRIM-UHFFFAOYSA-N
-D34F898CDAC70C41_01CF24A44D7D2D7A_6029_UN,N([C@@H]1C[C@@H](C1)C#C)[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O,HFUOSBHYHSUMSU-XKQCMZCHSA-N
-D3F901EB1DE11D28_6C0E95424EEE1482_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=C(C=CC(=C3)F)N4CCOCC4,HTBMABABKLYYLW-UHFFFAOYSA-N
-D75BFB517592CC09_3297C83D35E3E56A_6035_UN,C[Si](C)(C)C#CC(OC1=C(C=CC=C1)[N]2C=NC=N2)CC3=CC=CC=C3,XVLFKVOSDFNHMZ-UHFFFAOYSA-N
-D785EAF72974897A_880B9D68B1E2D348_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(F)C=C3)C#N)CC4,XVPMKBGNBZHDPM-UHFFFAOYSA-N
-DB174F5BDFC137F3_2421B76FCD684554_6029_UN,N(CC1(CC1)SC2=CC=CC=C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,BXWVRZKJBARYQU-UHFFFAOYSA-N
-DB4212225710BC00_03093A2B85EFB0A6_6038_UN,COC1=C(C=C(C(=C1)C)C(C)OC(=O)C2=CC(=CC=C2)C3=N[NH]N=N3)C,YSQXUFOOWCFRGZ-UHFFFAOYSA-N
-DFA34D5A28ECC160_5FD8F12FD62C77A6_6035_UN,CC(OC1=C(C(OC)C(=O)OC)C=CC=C1)C2=NN=N[N]2C,DVMLKUAMAYDXCJ-UHFFFAOYSA-N
-E061C90B025E7B9A_DC37C092E0B54350_6028_DP,OC4CC(N[S](C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)(=O)=O)C4,CQQHNDSALRVFDU-UHFFFAOYSA-N
-E13E2E991A6F7499_2394E9BF374411B0_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C4=NN=C(C3=CC=CC(=C3)C)[N]4C5=CC=CC=C5)(=O)=O,QRKLPGVXHOCZFE-UHFFFAOYSA-N
-E23E53187D2BD2BE_52CC13FE08BA5B95_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,SPMNHCOGBQVBSR-UHFFFAOYSA-N
-E2F4B7DA3A51C136_6508CBB715112574_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC(=C(OC)C=C3)C#N)(=O)=O,CQJVFGKMUKQPGQ-UHFFFAOYSA-N
-E3310721E97C0044_00CAD7A5A9944F1E_6039_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)CC(C3=C([N](CC(OC)=O)C(=C3)C)C)=O,FEVSVCIRAMQGAC-UHFFFAOYSA-N
-E3996AEAFA1132FA_26348EBD513F0361_6035_UN,COC1=C(C=C(C(=C1)C)C(C)OC2=C(C=CC=C2)C(=O)CC3=NN=N[NH]3)C,JPVDSLFOICNXRZ-UHFFFAOYSA-N
-E40947F1AE5C47BB_8F22A8CD244EDB88_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC(C)CC3=NC2=C(C=CC=C2)S3,MMUBMKJMJQEDJH-UHFFFAOYSA-N
-E4FD416D7F668E79_93943C8463DE4F67_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,ZDHREEOQQBIKOO-UHFFFAOYSA-N
-E5FD9071C0A7FC4B_A2C7B6FD53EBC198_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,RDPZOXUKZIZXDE-CIEDQVTBSA-N
-E70DCFACA3471757_03A8E7958D1B21BE_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C4=C3C=CSC3=CC=N4,YMAVJYLBHOCZON-UHFFFAOYSA-N
-E73AE4A7310704B8_70936FF750197900_6041_UN,O[S](=O)C1=C(C=CC=N1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,YYTRAWZQGIHHHT-CQSZACIVSA-N
-E7C2E55F1423F4DF_FF1F8C30D315571B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC4=C([N]3C)C=CC=C4,OFAHKKQYNMUTFJ-UHFFFAOYSA-N
-E7D58D668E3CCD04_53CCB4FD9960841F_6028_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C3=NN=C(C)[N]3C4=C(C=CC=C4)C)(=O)=O,PSDVLVCKWFCPOO-UHFFFAOYSA-N
-E99C4A78D4C8CC4C_F7BDBC987AC1B257_6041_DP,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CNC2)C3=CC=C(C=C3)F,RCCLITIUUPKGMJ-UHFFFAOYSA-N
-E9E412D943821407_B66FC0A358FBF4CC_6035_UN,C[Si](C)(C)C#CC(OC1=CC(=C(N=N1)C)C)CC2=CC=CC=C2,BUDIKRBAZDXEKO-UHFFFAOYSA-N
-EA34BF1DA194ADB6_FAE17FC3571E3A60_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC(N3CCNCC3)C4=CC=C(C=C4)F,DMMBBDHQCRMLQS-UHFFFAOYSA-N
-EDD50CA3F519D520_0C8B050499FC257A_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,WZZKWOFPGYFCSV-UHFFFAOYSA-N
-F3C8F402044F9B73_071327F21827642B_6029_UN,N(CC1=C(C=CC=C1)C2CC2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,BPPZZNYURZBRDU-CYBMUJFWSA-N
-F3F203E418E77292_6AE1BF559E67FCF6_6036_UN,C(C1=C[N](N=N1)C2=C(C=CC=C2)Br)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,KYOOJAFIIFMBRI-UHFFFAOYSA-N
-F621C42670D654EE_D31DDC0842A3FCC6_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(CC3=NN=C[N]3C(C)C)=O,NLRHMNUXPCWYIA-UHFFFAOYSA-N
-F6931F51CDC836AB_1718404E15A7056C_6036_UN,C(CNCC1=C(N=CC=C1)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,GGHHUCXRARGYBX-UHFFFAOYSA-N
-F7E743B9E6FC9A3E_E935EFD1D0A10096_6041_UN,SC1=C(C(=CC=C1)NC(C2=NC3=C([N]2C(C)C)C=CC=C3)C)C#N,IHTVUAZKUULIBS-UHFFFAOYSA-N
-F8C43F5AC65AB8B5_6C64E3F97075DE08_6029_UN,N(CC(CO)C1=CC(=CC=C1)F)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,NHKZSOHEZFITAM-UHFFFAOYSA-N
-F8DCD12D42C53A67_FFDB1AD8C1E1C4B9_6029_UN,N(C1(CC1)C2CCC2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,YHYXNCHPIZKAMN-UHFFFAOYSA-N
-F930B4D645844E20_3C479A8086ED5F81_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(N=C3)Cl)C(C)C)(=O)=O,YVRFNZDYBDYCCF-UHFFFAOYSA-N
-F950EE8D8B01AFD3_8ADBF1B6D087285C_6029_UN,CN(CC(C)(C)CCO)[S](C1=CC=C(OC)C=C1)(=O)=O,MRLKPSBYUUWFCS-UHFFFAOYSA-N
-FA5E5AE38D6027F2_05FA61EF4DAED641_6029_UN,N(CC(O)C1=CC(=CC=C1)OC(F)F)[S](C2=CC=C(S)C=C2)(=O)=O,PGEJTVZTYDNZDQ-UHFFFAOYSA-N
-FA72C21F571A1EEE_10E7D301963DA765_6029_UN,N#CC1=C(C2=C(N=C1)C=CC=C2)N3CCN(CC3)[S](C4=CC(=CC(=C4)[C@H](C)O)F)(=O)=O,RMPMQIYSVCGOJZ-HNNXBMFYSA-N
-FD782EDDD7E12D80_1CD59E884BE48634_6038_UN,N(C1=CC2=C(N=C1)[NH]N=C2)C(C(NO)CC3=CC=CC=C3)=O,HGFLSOKJENGYAN-UHFFFAOYSA-N
-rxn:1:63528:24318,Cc1ccc(N2CC(Cn3cc(-c4cccc(OCC(=O)N5CCC(F)C5)c4)nn3)CC2=O)c(CO)c1,PEVDPWDUPSUWQZ-UHFFFAOYSA-N
-rxn:2:115741:162580,CCC(N[C@@H](CC)c1ccc(N2CCCC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ULDOSODYFKLGRM-UXMRNZNESA-N
-rxn:2:129077:149518,CC(NCC(C)(C)CN1CCN(c2ccccc2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,YFYWKYWEIIFOST-UHFFFAOYSA-N
-rxn:2:139988:110753,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(c2ccc3c(c2)OCO3)C1,WBDYZKZLYPQIPT-UHFFFAOYSA-N
-rxn:2:72108:149518,CC(NCC(C)(C)c1ccc(N2CCCC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,WQWXTBKZODDQHT-UHFFFAOYSA-N
-rxn:2:97517:162580,CCC(NCCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,OPLUFZTWEIECHX-UHFFFAOYSA-N
-rxn:2:99192:149518,CC(Nc1ccc(N2CCN(C(C)(C)C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,METRIHPSHFYIAE-UHFFFAOYSA-N
-02609320E01BED2B_22DD624D221A6B0B_6029_UN,C1CC(CCN1[S](C3=C2C=CSC2=CC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,YTIMEWOXDWGKHO-UHFFFAOYSA-N
-02B80DA2BD96C2D8_C4996E9A773A6B83_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N(C3=C(C)N=CC=C3)C4CC4,ZSFCNYCVPIYTQA-UHFFFAOYSA-N
-0363A2F32F7B68BE_A67C214F01F8630C_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)C3=CC(=CC=C3)I,UADREQQWLOPTEL-UHFFFAOYSA-N
-04DDF9828E728FBF_E9DC6D4A9CD868FD_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4=C(C=CC=C4)Cl)(=O)=O,MDOFYCUEUVQFCV-UHFFFAOYSA-N
-04F0D30172C9700F_9F7BC676F6978961_6026_UN,CC1=C(C=NC(=C1)Cl)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,MWGMWMBGJCQCGJ-UHFFFAOYSA-N
-050201E4D2B31BA5_38EFA2F3779AA7F8_6038_UN,COC(=O)[C@@H](NC(CCC(N(C)C)=O)=O)CC1=C[NH]C=N1,VQAIOXWYNPLYQY-JTQLQIEISA-N
-0703F55415C6B5AC_C1BDD8CCCB5BBA71_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2C(C3=CC=CC=C3)([P](=O)(O)O)[P](=O)(O)O)C4=O)N5CCNCC5,AUIPEJHNSGQYGH-UHFFFAOYSA-N
-07AE624C0927D446_93BF5F7499A8A98C_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC(=C(Cl)C=C3)Cl)CC4,VBSIOXMMDXYRAZ-UHFFFAOYSA-N
-0836A415F7AE4859_5738C62A9B7B82AE_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC(=NC4=C3C=C(S4)C5=CC=CC=C5)C)(=O)=O,WXLIRFNULYRBSX-UHFFFAOYSA-N
-08BD3552801A2BBB_A2F52E655835C01D_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC=C3)OC4=NC=NC=C4)(=O)=O,OCKKHZXEBMACSC-UHFFFAOYSA-N
-0A732B6B716F5FB8_ED19E8B21A71A4AE_6038_UN,CC(OC(C1=C(C(OC)=O)N=CC=N1)=O)CCCCN(C)C,HKDQRQVGCVOXDY-UHFFFAOYSA-N
-0A9CFF5EA4B277DE_3265EF536F84403B_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)C4(CC4)C#N)C5=CC=CC=C5,NQTVSCAXQGXYRX-UHFFFAOYSA-N
-0BFC0D7E901B8AAF_2867F7F1926C98A2_6038_UN,CC1=CC(=CC(=C1)OC(C2C(N(C)C(C2)=O)C3=C[N](N=C3)C)=O)N4CCCC4=O,OQVOLLFJBDZFBM-UHFFFAOYSA-N
-0D32D6BCB21F28A5_F1F58B4030167E8E_6029_UN,C2CCC1=C(C=CC=C1)N(C2)[S](C5=CC=C(C3=C(C)N=C(N=C3)C4CC4)C=C5)(=O)=O,JEAYMIGAWFWTMD-UHFFFAOYSA-N
-0DF3EE5F559F22A8_DA345D82002AD14C_6031_UN,O(C(=O)C1=C(N=CC=N1)C3=NC2=C(C=CC=C2)S3)CC4([S](C)(=O)=O)CCC4,FBNKJQSYTWZKIE-UHFFFAOYSA-N
-0E650AE3A66FB59E_20D23C79379A2075_6041_UN,CCOC(=O)C1=C(C=CN=C1)NC3=C(C(N2CCC(C)CC2)=O)C=CC=C3,WSEAPNLBRDYPHQ-UHFFFAOYSA-N
-0F4C6A848E044C29_9363E96BC5903CA1_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C4=CN=C([N]3N=C(C)C=C3C)C=C4)=O,QXDFUKADHVEMPR-UHFFFAOYSA-N
-114FFEE05E46BB00_ABEF99F123353601_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC=CC(=C2)CN(C)C3CC3)(=O)=O,ZVHGPHMINVQTPX-UHFFFAOYSA-N
-12345817FF71B747_DBC6D500B34C5181_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(CC(OCC)=O)N=CC=C3)=O,PSQCIERENCOXPU-UHFFFAOYSA-N
-127CE4AB8C63594F_0806110BA5E45748_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC3=CC(=NC=C3OC4CC4)C,ZVPGSARNUPKXFQ-UHFFFAOYSA-N
-1342F4A06BEBFC87_C1C06245AE965888_7013_DP,CCC[N]2C1=CC(=CC=C1N=C2C(CCC(C)(C)C)N)F,BZGBBPJYTRGYSJ-UHFFFAOYSA-N
-149E964D0CBAE2D7_62EE17BC679EB703_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3=CC=C(C=C3)C4NCCC4,DWPVHLCCNMHANA-UHFFFAOYSA-N
-153CE62CEFB31AFC_2AA2677F1894A4F8_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C)C=NC4=C3C=CC=C4,PFUJUEZYUWEQHG-UHFFFAOYSA-N
-17A71DA94F71AA3F_378F5E1AC1C5BEE5_6036_UN,C1(COC2=C1C=CC(=C2)Br)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,LWCGTHNGPAMTEG-UHFFFAOYSA-N
-18388B8D8EFFEF8F_C9B87B738288F9D4_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=CC(=C2)C(OC)=O)F)=O,ZLOKEFOPPRKCFF-JTQLQIEISA-N
-188B514B4BD2DC8A_F82E7F6B6647DEAD_6029_UN,N#CC1=CCN(CC1)[S](C3=CC=C(C[N]2C=CN=C2C)C=C3)(=O)=O,OTZXQNNHADIIMF-UHFFFAOYSA-N
-18B0A62132A930EC_3ED012D26A62D228_6029_UN,CC1CN(CCC2=C1C=CC=C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,XVQQSCNTTDMBBN-UHFFFAOYSA-N
-18BAD4B3FF8B581C_AF733737E38F1094_6041_UN,F[S](=O)(=O)C1=NC=C(C=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,XKZQMZNOAMEEND-OAHLLOKOSA-N
-1AA751CCBAADE757_A72013F13A94F4DE_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=N[N](C)C=C4[N](=O)=O,XPXNDABMASALIC-UHFFFAOYSA-N
-1D2D83FAC415D8A9_3143FCC94F40A202_6029_UN,CC1=CC2=C(C=C1)SC(=N2)C3CCN(CC3)[S](C4=CC=C(CS)C=C4)(=O)=O,NDGSABCXLGUQON-UHFFFAOYSA-N
-1D78347EDEB3F8A0_5A5C53C961A63B3D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCCCC3C)C=C4,XLEBQHHTAHLBOM-UHFFFAOYSA-N
-239DE574E052B0CC_5582658AE28A74FA_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C3(C(N(C)C)=O)CC3)=O,SFNNNCQQELKUIJ-UHFFFAOYSA-N
-24CCC0BD6245D6F1_A69E9D8FC87CF724_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC4=C(C=C(C(N3CCC(C)CC3)=O)C=C4)C,AMLSCHTWRFBKCX-UHFFFAOYSA-N
-257C82A55CBEB77A_2B61BCC4DE8D4038_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC(=CC=C3)Cl)(=O)=O,CQHWMADSNHGMSC-UHFFFAOYSA-N
-25A82C15BEAFEDD7_ED51DF4EE160F450_6029_UN,C1C[C@@H](CN1[S](C2=CC3=C(C=C2)SC(=N3)C4=CN=CC(=C4)O)(=O)=O)OC5=CC=CC=C5,BNDOIRFGHDFIQQ-SFHVURJKSA-N
-2831EDE7086167CA_82E16BCCCEF95D21_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(N(CC)CC)C=C2)F,GDULVUXQDPGVQV-UHFFFAOYSA-N
-2831EDE7086167CA_851243F4BBB336DA_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(N(CC)CC)C=C2)F,GDULVUXQDPGVQV-UHFFFAOYSA-N
-285479D53D3FE7A2_84F985A354CBED0A_6029_UN,C1C=C(CN1[S](C2=NC(=NS2)C3=CC=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,REAOEBIHABGGFK-UHFFFAOYSA-N
-288A56571C76CF3D_D20661BBC56F44A1_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C(S3)C4=CC=CC=C4)(=O)=O,CURACWZOTFRTSY-UHFFFAOYSA-N
-2947A2EB313BDBE4_F659B8B46507914E_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=CC(=C4)F)[N](=O)=O,UAKXQRNEBUUJDQ-UHFFFAOYSA-N
-2A886D1F3AC366AE_D8A89ADC52122783_6029_UN,OC1(CN(C1)[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CN=CC=C4,ZDETWKJFBJXCFA-UHFFFAOYSA-N
-2AB1FCB8656594C0_7F0697FDF92188A1_6039_UN,O(C1=CC=C(C=C1)N2CCCC2=O)CC(C3=C(C)[N](C(=C3)C)C4=NC=N[NH]4)=O,FIASOALMTYDZSA-UHFFFAOYSA-N
-2AD41DF5C206A1FC_0DFB65AD96F3AA55_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N3CCC(C)(C3)C4=CC(=CC=C4)F,BLIUJNDVKZYRSU-UHFFFAOYSA-N
-2C15DA92B1146461_6BB119A61029DE9D_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(=O)C3=CC=C(C=C3)N4CCCCC4=O,AVLQUULDOAAUBE-UHFFFAOYSA-N
-2C98B38238159C88_EA6F24455E207015_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(CC2CNC(C2)(C)C)=O,VOAFBBZXSPCWAS-UHFFFAOYSA-N
-2CDD20833382D697_7C5B4356F9D08769_6029_UN,N(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)[S](C5=C([S](Cl)(=O)=O)C=C4OCCOC4=C5)(=O)=O,FXKQPGKKWXTBCB-UHFFFAOYSA-N
-2CF51FBF7DA67275_7F2CCE81A689512B_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC3=C(OC)C=CC(=C3)C(=O)N4CCCCCC4,QLHJLNRVEIJJJJ-UHFFFAOYSA-N
-2DF327412AB4F148_36FDA1E5B7FE85B4_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=NC(=CS3)C)CC4,XKWBUDQXHHVPTF-UHFFFAOYSA-N
-2DFE5109F512F6A9_A7B7BD5FDA2F6ADA_6031_UN,CCOC(=O)CON=C(C(=O)OCC[N]1C=CC(=N1)[N](=O)=O)C2=N[NH]C=C2,OZOWOENJGKZMHX-UHFFFAOYSA-N
-2EF3ED6509C4F6F8_78D4517D0611E983_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC(=O)C,CMZRQSDDYXSPPX-UHFFFAOYSA-N
-2FE900872C7C53EA_7CDD1EDC2E8695BB_6029_UN,OC1(CN(CCC1)[S](C2=NC3=C(C=N2)C=CC=N3)(=O)=O)C4=CC=CC=C4,ZINTWWDKUBRGNP-UHFFFAOYSA-N
-30292BEC4FAB80A0_0F6FA5F91665D5BB_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCC4)F,DPENNXNWBDDCGM-UHFFFAOYSA-N
-3036559DF1091BAD_2801601B19A71E2D_6029_UN,N(CC1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C(F)F)C=CC=C3)(=O)=O,HZKDHGVGGRADEZ-UHFFFAOYSA-N
-304D7CE493ACC44D_49993E737CA11209_6038_UN,O(CCCN1C(=O)C=CC1=O)C(C2=C(N(C)C)C=CN=C2)=O,VSDZGEMQLNIZIF-UHFFFAOYSA-N
-3271B602A912F13C_12487504E58F3227_6028_UN,C1CC(CCN1[S](C2=NC4=C([N]2C3=CC=CC(=C3)C)C=CC=C4)(=O)=O)C5=CSC=C5,JAIVGFTVKMPVFR-UHFFFAOYSA-N
-360C7F1069644746_AF9F03FC9D20C2F5_6029_UN,OC1(CCN(CC1)[S](C2=C(C(C)CO)C=CN=C2)(=O)=O)C3=CC=CC=C3,BNDFEFJHHVWGII-UHFFFAOYSA-N
-3645745C79902587_176BF3F897358D52_6026_UN,[S](=O)(=O)(C1=CN=C(C=C1)C#N)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,HFWXSBVFNHQQKI-UHFFFAOYSA-N
-367AFB9FFCCE0BFE_6D9CD7000634E434_6029_UN,OC1(CCN(CC1)[S](C3=C[N]2N=CN=C2N=C3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,YYZOLORVIYFARF-UHFFFAOYSA-N
-3759F4B7B329BACC_BEA38F2FFF70A417_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,AKHDJNVWEDXBBC-UHFFFAOYSA-N
-37BA8E3970A1944C_9D6941473A37B804_6041_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,VMQCKJCBPMCAAT-UHFFFAOYSA-N
-382D8C771C8742ED_B95FE4523D4E1895_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O,QAUQGLJBGPOLCO-UHFFFAOYSA-N
-3B91F112F74D6D59_6B0DD7C1B5B50E6C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,XFPNPSMDBSJDDV-UHFFFAOYSA-N
-3BB6386ADD1B912F_C6B0029B32A7282D_6038_UN,CC3=C(OC(C2=CC=C(C1=N[N](C)C=N1)C=C2)=O)C(=O)CC3,CJFWTBFKVZIVCM-UHFFFAOYSA-N
-3C7E2E4B08F9FC97_3601B453D24F58E8_6041_UN,CC4=C(C)C1=C(N=CN=C1NC3=CN=C(N2CCN([S](C)(=O)=O)CC2)C=C3)[N]4CC5=CC=CC=C5,GDCRVPJFJMDHAX-UHFFFAOYSA-N
-3C9BDD58F38F278A_0BBEBB4ABFDBE31D_6029_UN,O=C(C1=CN(CCC1)[S](C2=CC(=C(CO)C=C2)Cl)(=O)=O)C3=CC=CC=C3,UVGZBKNULLJQFY-UHFFFAOYSA-N
-3CA97CF9FB7204E1_25ECC31FD7190E09_6029_UN,ClC1=CC2=C(C=C1)N(CCCS2)[S](C5=CC=C(C3=C(C)N=C(N=C3)C4CC4)C=C5)(=O)=O,HRNMATMTZOMSOK-UHFFFAOYSA-N
-3E7A7FCA3E202208_B16B1080F7C8B0AF_6027_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C4=C(C)C=CC=C4C)(=O)=O,QXQOZMZQCLFCNN-UHFFFAOYSA-N
-3F3A805F2CF684AC_2B3919127CC4CB99_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=CC(=C5)N6CCCC6)(=O)=O,UANUVIDMVQDDIA-UHFFFAOYSA-N
-3F41372C152FE86D_2046B51603DC77BA_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCCC4,NSHXDKSUHWYYPQ-UHFFFAOYSA-N
-3F8C90935A10F098_C6405DDBA92EDA4E_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=CN=C([S](C)(=O)=O)N=C4,NICRCJKCEPYTKN-UHFFFAOYSA-N
-3F94523FCC761C29_3FA7836EF6D1662F_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(SN=N3)C4=CC=CC=C4)(=O)=O,FZQBSWNRTQJLSZ-UHFFFAOYSA-N
-41D987BA01BB07B2_E03D4A29D7D11B13_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC3=C(OCC)C=CC(=C3)C(=O)N4CCCCC4,SOJGWACNSHUDCK-UHFFFAOYSA-N
-421CCBA9BEB83FDC_D156D19A7E52FD17_6006_UN,CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CC=C(C=C4)C5(O)CCC5,HKBUISJDEVJVKM-UHFFFAOYSA-N
-43CE27CAA983B55B_743C91D7B42C9B01_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=C(C=C3)C#N)CC4,FPKHCGWCZUAJKQ-UHFFFAOYSA-N
-462E7DE39916D870_B27A10BDE77D86F1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N(C3=CC=C(Cl)C=C3)C4(CCC4)C#N,YECQIILFVLGZGX-UHFFFAOYSA-N
-4833A84465E058C9_8F2B9192224C4938_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC3(CC3)C4=CC=C(C=C4)C#N,WJHQWYXVIMKSIZ-UHFFFAOYSA-N
-48727E08AD508A41_E471D78193EE06BE_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=C(C=CC=C3)C4CC4,PCTAZFQJBRZWSI-UHFFFAOYSA-N
-49CED7652FE49287_54A84FFF80F7DD1C_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)Cl)(=O)=O,SRWFKNBJIWROSD-UHFFFAOYSA-N
-4AA8BF3E474E37DD_3701B76AEBAFB7A3_6038_UN,CC(NC(C=C(C1=C(OC)C=CC=C1)C)=O)CN(C)CCN2C(CCC2=O)=O,SSHULVDCBUIOIH-UHFFFAOYSA-N
-4AC5BCC4B15D50BA_921AE8DBA4E381BC_6038_UN,CC[C@H](C)[C@H](NC(C[N]1N=C(C(OC)=O)C=C1)=O)CN(C)C,PYMZRTRVDVMCRR-WCQYABFASA-N
-4D1951DBAB44EBB7_71BC2B2DE963D3F0_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCCC3=CN=C(N(C)C)C=C3,RAFQJXKDKREXEY-UHFFFAOYSA-N
-4D83A43073255175_25260E4E3C24D243_6041_UN,C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)NC3=CN=C(N(C)C)N=C3,FKLJXJZVWLHOFT-UHFFFAOYSA-N
-4DCDF5517026EC2A_091585FC23761F3B_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC(=CC=C3)I)(=O)=O,MKAVOKWKTQLQFG-UHFFFAOYSA-N
-4E74681AF1918DEA_B7257082D831828B_6029_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=C(SC)C=C3)(=O)=O,RJCHWDHZKIFZNB-UHFFFAOYSA-N
-4ED730338D0F5CC0_B1B826538407417B_6039_UN,O(C1=CC(=CC=C1)N2CCCC2=O)CC(C3=C(C)[N](C(=C3)C)C4=NC=N[NH]4)=O,MSNITAHOXDOHPX-UHFFFAOYSA-N
-4EF353A8E9F0B24E_5FE2874150671483_6038_UN,CC1=C(C=CC(=N1)N2CCCC2)NC(=O)C4=CC=C(C[N]3C=CC(=N3)[N](=O)=O)O4,YLULQNXBCZUYMM-UHFFFAOYSA-N
-526AC8AD10FC2185_54141F6AD5AF832F_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(N(CCC)CCC)=O,XEAQBBCTOAVVIT-UHFFFAOYSA-N
-52DEAFEFB9D0DFCE_92E1014D9E34DF37_6028_UN,C1C=C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4=CC=CC=C4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,PVWPOJKOIPYDCG-UHFFFAOYSA-N
-53705ED077236F75_44A9DFDFF7623787_6029_UN,N(N1C(CC1)=O)[S](C2=C(C(OCC)=O)C=CC(=C2)F)(=O)=O,SNYLRTISJPGJTQ-UHFFFAOYSA-N
-53808825A2FE764D_D20A70E9AF534EC7_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC(=C(Cl)C=C3)Cl)CC4,XPAQJPXGMJVQMK-UHFFFAOYSA-N
-5389B66175C31BAC_D4BCB895EE33EF1E_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(C)=C)=O,FFVZVJJLZOQQAC-UHFFFAOYSA-N
-55613B181FC37F99_CE42384E4FB114AE_6004_UN,CC2=C1C(CCC1=CC(=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4)=O,LGVWKXBOHBAFOL-UHFFFAOYSA-N
-55A08632AE2FC920_31C51E2D6F871D95_2201_UN,C[S](=O)(=O)C2=C(C1=CC=CC(=C1)C)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCCC5,GYYKDKZMGZEMTF-UHFFFAOYSA-N
-55A74CA06714EF1E_34A8CD12B1E22D3D_6028_UN,C1CC(=CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NC=CS5,BWWKQMLHGKXSEG-UHFFFAOYSA-N
-55B86A73C74D33BD_4EEBFAED8D1901B9_6029_UN,N(C1(CCCC1)C#C)[S](C3=CC=C(C(O)C2=CC=CC=C2)C=C3)(=O)=O,JHYHYTPOHLIRBG-UHFFFAOYSA-N
-55F8695B8E2A4637_10B644032134493F_2201_UN,C[P](=O)(C)C1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5,YPKDWFPNRXNOIP-UHFFFAOYSA-N
-56CB962FCD9982E4_A0DE2F7F4D0E7DDA_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC3(CC3)C4=CC(=CC=C4)C#N,ZOGMHGHDTGOCDO-UHFFFAOYSA-N
-5716ACDE08BCA772_7ED815845C7C94A0_6029_UN,C1C[C@H](CN1[S](C2=CC3=C(C=C2)SC(=N3)C4=CN=CC(=C4)O)(=O)=O)OC5=CC=CC=C5,BNDOIRFGHDFIQQ-GOSISDBHSA-N
-5731E8D452B371C8_08924792E585042E_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C,VCQKBJYNOXUHEY-UHFFFAOYSA-N
-596B1F83DACF06E0_C0151405EA734B36_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)C(=O)OCC,HRMXRWXPJBCOFJ-UHFFFAOYSA-N
-597C3E8052B06402_AA19DF04EEF5BED6_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C3=C(OC)C=CC(=C3)C(=O)N)=O,VUHGCKYFEARZOD-UHFFFAOYSA-N
-59D05D981CF04D54_BBD82416F0AEAB14_6036_UN,C(CC2=C[N]1N=CC(=C1N=C2)Br)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,BFSUELQBPWXXMV-UHFFFAOYSA-N
-59D0669391C94F76_5B689A546CE3B1F1_6038_UN,N(C1=CC2=C(C=C1)C(=O)N[S]2(=O)=O)C(C3N=CN(C)C3)=O,JKBOLXIRYDKCEC-UHFFFAOYSA-N
-59DEFF53AAABB17D_CE36EDA962D85C8F_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=CC=C([S](N3CCC(C)CC3)(=O)=O)C=C4)F,ZMCGTQXSPWCRHO-UHFFFAOYSA-N
-5BA5EB48B3C1EF49_B1CFF7675491422D_6029_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)I)(=O)=O,BSYNZVXNHKVTDT-UHFFFAOYSA-N
-5D8EBB766C0C6600_865AB2E89F8F4A6D_6039_DP,COC(=O)[C@@H]2C[C@H](OCC(NCC(NC1=C(CC)C=CC=C1)=O)=O)CN2,NEWYRCBRDXWDFN-ZFWWWQNUSA-N
-5E215B8D3A1AA21E_BF1F0B5A1D0098ED_2201_UN,CC[S](=O)(=O)C2=C(C1=CC=C(C)C=C1)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCCCC5,LKENZWAPBZNTJO-UHFFFAOYSA-N
-5EBEC19AE048B445_6C9FF7A1696A094D_6038_UN,N(C1=CC(=C(C(=C1)F)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,QUIDIKVLBONLRC-UHFFFAOYSA-N
-5F688865BEC9002F_AAA09538303A9819_6029_UN,C1CN(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NN=C(O5)C6=CC=CC=C6,ORNHJCLMZZRMCW-UHFFFAOYSA-N
-60C57C112A1C75D5_698383F1AB2054E5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CCC3)C4=C(C=CC=C4)F,RHUBSRQXMKEZFA-UHFFFAOYSA-N
-61B98661AA081DD4_59E712B0D7825474_6038_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OC(C2(C(N(C)C)=O)CC2)=O,RNTOSZOXCVYAOV-UHFFFAOYSA-N
-6283C50B36E27A22_FEF5BF1C9B4B7152_6034_UN,O=[N](=O)C1=CN=C(I)N1CC3=CC=C(N2CCN(C(C)=O)CC2)C=C3,HTKVVMSRMMLGDE-UHFFFAOYSA-N
-64B19A6907A20F9B_EA3BE2CE6E8D54DE_6029_UN,N#CC2=C1CCCN(C1=CC=C2)[S](C3=CC=C(C=C3)OC4=NC=CC=N4)(=O)=O,LDIZDNLVMFJUJB-UHFFFAOYSA-N
-64D61E4AFE1018F8_5920D8A1BCC47A81_6039_UN,O(C1=C(C=CC=C1)N2CCCC2=O)CC(C3=C(C)[N](C(=C3)C)C4=NC=N[NH]4)=O,UGKXVPVZPUSDTJ-UHFFFAOYSA-N
-659CD25D99674C0D_A534741F1971A36D_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCC4,GBJYJSLQRYFJMK-UHFFFAOYSA-N
-6814C92B648A6CDC_82442CC7E88106FB_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CC2=NC=C[N]2CC3,KQFDHJJPCPDFMQ-UHFFFAOYSA-N
-6AF09C25A66D0F07_8D4D1E2F0D115599_6029_UN,N(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)[S](C5=C([S](Cl)(=O)=O)C=C4OCCCOC4=C5)(=O)=O,MQINWELAGBECCT-UHFFFAOYSA-N
-6B54CDD4F970BB72_CB85EBDE8147BAD8_6003_UN,O(C1=C(C=C(C=C1)C2=CC=CC=C2)Cl)C3=CC=CC=C3C(OC)=O,JFHKBXZRAJHONF-UHFFFAOYSA-N
-6F28979B75991269_2E1E67ECB56BDC3F_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C4=C([N]3N=C(C)C=C3)[N](N=C4C)C)=O,QFZIPNQNZKOAJG-UHFFFAOYSA-N
-6F35403559208C58_21232FBF08A4B02F_6029_UN,OC1(CCN(CCC1)[S](C3=CC=C([N]2C=C(C)C=N2)C=C3)(=O)=O)C4=CC=CC=C4,HRURUBMRSBCGRK-UHFFFAOYSA-N
-6F602ACCF9B71E15_1E9985652B454206_6028_UN,N#CC1=CCN(CC1)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,MTTYVAPWWLNACW-UHFFFAOYSA-N
-6FA48F5818F4DF7A_6647B6B36EC341EC_6028_UN,C1CN(CCN1[S](C2=NC=C(Cl)S2)(=O)=O)C3=NC5=C(C(=N3)C4=CC=CC=C4)C=CC=C5,NICQAVJCZTZKQJ-UHFFFAOYSA-N
-6FE07BD42C89ECFE_0BAAB59F91E5916C_6006_UN,OCC4=NC1=C(C=C(C=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)C(=O)N4,LHDALVSJBNESRX-UHFFFAOYSA-N
-720369048B40E3A3_024CFE570A2BB3F8_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=CC=C(C=C3)C4CC4,FMCVWCSPRJRHPY-UHFFFAOYSA-N
-733A846E062DF951_40F03A36F5FFA857_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N5CCC[S]5(=O)=O,LFKWZNPMUAFMDI-UHFFFAOYSA-N
-740BFE1E6A2FE679_4444B38E70344A8D_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C(=CC(=C4)Cl)Cl)[N](=O)=O,CEPMGKUNGAFMQZ-UHFFFAOYSA-N
-743AEFCCB31742D0_03124A5F576D2FD5_6029_UN,O=C(C1=CN(CCC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O)C3=CC=CC=C3,RXHQVINKUHXZAB-UHFFFAOYSA-N
-747849BE1E8C06C3_FDE200CB64771391_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(C(OC)=O)C=C(O4)[S](=O)(=O)Cl)(=O)=O,SPDOWNYGQMOPSU-UHFFFAOYSA-N
-7499899A955A8E2E_4D4C6A9C9918142A_6034_UN,C1CC(NC1)C3=NC2=C(C=CC=C2)N3CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,GJIMIWUKLLKARL-UHFFFAOYSA-N
-7571F11BC8E4558A_C3BC2F4A11752DF6_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCC4,JYHBCFGFHKQRQM-UHFFFAOYSA-N
-758942CB51ACF7B1_8659FC25330B0FC1_6029_UN,N(C1(CC1)C(=O)C2=CC=CC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=C4)(=O)=O,KOZMAFGUBJFOGU-UHFFFAOYSA-N
-75CF6A0E629E23DB_4CFD19A08B7CEB19_6041_UN,F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)NC3=C(OC)C=CC(=C3)C(=O)N4CCCC4,VOHWAKUXRMLXMX-UHFFFAOYSA-N
-76ABB8A2FBE0E6E6_0CEA3E33C7358DFC_6041_UN,CCOC(=O)C1=C(C(=N[NH]1)C)NC2=C(C(N(CCC)C(C)C)=O)C=CC=C2,OSJGPLMUYUJZNV-UHFFFAOYSA-N
-7A5B6E4D0FA05BFD_31F565DBF92C9A1C_6039_UN,CC(COCC1=C(C(OCC)=O)CNC(N1)=O)N(C)C,LQAAYBIRABFSRE-UHFFFAOYSA-N
-7BFF1C55200166EC_0803A92AB8206464_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(C)C=CC(=C3)N4CCCCC4,BOJQJTCRLMPIHL-UHFFFAOYSA-N
-7C07B82BC5A0C5A9_DBD87BEF1AF52454_6043_UN,C1(=CN=C(C=C1)C2CCC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C#C,UCDDHWMSYGVESL-UHFFFAOYSA-N
-7D55E27D085A6DFF_DF71F153B4E1604C_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,MMVMXARCKUSHSG-UHFFFAOYSA-N
-7EF7A0B7C12E3CE5_A9271DCCE42D4B70_6038_UN,NC(=O)C1=C(C=CC(=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,VUDHGEZHGMWCMW-UHFFFAOYSA-N
-803A16BAABEE6ECB_06733C3344BC8C27_6029_UN,OC1(CCN(CC1)[S](C3=C2N=CC=NC2=CN=C3)(=O)=O)C4=CC=CC=C4,DXWOFKNTBKNJBK-UHFFFAOYSA-N
-804A0E1DD82A1486_4AF628F024C54224_6041_UN,COC1=C(C=C(C=N1)NC3=C(C=C(N2CCN(CC)CC2)C=C3)C)[S](=O)(=O)F,JDADFMOQYZLYPU-UHFFFAOYSA-N
-82D2D61FA851CE4A_9EEE41C250539E4B_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C2=CC(=NC=C2)N3CCN(C)CC3)=O,UDDBCNGLSDQACP-UHFFFAOYSA-N
-830F55198DE2949C_C4D4BD89CA226A6F_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3=CC=C(C[S](C)(=O)=O)C=C3,DHJLSBYZDVKYQJ-UHFFFAOYSA-N
-8465C6BFBF8762C2_3C7A3DC12EF007B6_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N5CC[S](CC5)(=O)=O,KURCQEWCUVVEQS-UHFFFAOYSA-N
-84CC27D8A75F7024_3B6CBB0202FE0D33_6038_DP,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(O)=O)C=C2)F)=O,KGHCMKORFRYVCD-VIFPVBQESA-N
-887823F2AA0D6FDE_2D19FCB455B9BDC2_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(Cl)C=C3)CC4,PEZCBMYMDXGUBB-UHFFFAOYSA-N
-88999676D5813B82_D9F862CED47C6DBA_6041_UN,CCOC(=O)C1=CN=C(N=C1)NCC2=CC(=CC=C2)N3C(CCCC3)=O,BJOXCXQBYHHROR-UHFFFAOYSA-N
-88BDB89D4AF9123D_A7DD07842F06FF39_6029_UN,OC1(CCN(CC1)[S](C2=CC3=C(C=C2)[NH]N=N3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,GFVMGQFEHUMUII-UHFFFAOYSA-N
-892B6988D1D8BABB_DE85B92410F4590F_6038_UN,C[C@@H](OC(C1=C(C(OC)=O)N=CC=N1)=O)CC(=O)N(C)C,WGHRURRNMWFFFW-MRVPVSSYSA-N
-895B79E307EB3641_717A20E17321562D_6034_UN,C1CCC(NC1)C3=NC2=C(C=CC=C2)N3CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,DNNKHCKOKFRWII-UHFFFAOYSA-N
-89E6B1DCA0E14376_4CE412E2A819E286_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=CC=C(C=C2)C3=NC(=N[NH]3)C4CC4,PZLZJXCNTJOZFK-UHFFFAOYSA-N
-8A71B0B8C739C512_26D18705FFDAC1F0_6036_UN,C1(CN(C1)C2=NC(=CN=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,YRWCTRFUFCGMRY-UHFFFAOYSA-N
-8C340F547AC46D99_9085E89FEE870206_6038_UN,N(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,JLOAAIRNAJHBPV-UHFFFAOYSA-N
-8C98875D7C816F09_3735B0AA1CC0C5C6_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C=CC3=C(C)[N](N=C3)C)=O,YBOWDSBJSKJFDF-UHFFFAOYSA-N
-8DF74BBF460D945D_18286930BDC971A8_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,KWDLSCAGEBCEKG-UHFFFAOYSA-N
-8E44960A1B54C5EF_2D3E408CF6C5176E_6041_UN,F[S](=O)(=O)CC1=CN=C(C=C1)NCC2OC3=C(C(C2)=O)C=CC=C3,FVXDCTDIYVQNHS-UHFFFAOYSA-N
-8EF02F636E05D642_6A080649728AD297_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(C)N=C(C=C2)O)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,ONKIAKRSPPYKRK-UHFFFAOYSA-N
-90A42D0AED66EA94_7930D6A6470CFB8C_7017_UN,CC(C)C1=CC(=CC=C1)[S](=O)(=O)N2CC(O)(C2)C3=CN=CC=C3,WULUOBCLUORPLB-UHFFFAOYSA-N
-90C7A423084A0A11_A8650A2029E3A291_6038_UN,CC(OC(C1=C(C(OC)=O)N=CC=N1)=O)CCN(C)C,UACNPJKZIOSGLV-UHFFFAOYSA-N
-912B10AE8E088DB3_D851782ED96204ED_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C[N](C)N=C2C(=O)N3CCC3)N4C(=O)C=CC4=O,CXYPIQTWOREBMN-UHFFFAOYSA-N
-91DB4735C1BFD8B8_CA6EE133B9F42BD5_6029_UN,FC1=C(C=CC=C1)CC2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,BHAAMNVRKBAETC-UHFFFAOYSA-N
-928F87019AB8F580_78A201AAE5C5FF41_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC2=C(CC)C=CC=C2CC)=O,MPAABFSNCFHXHK-UHFFFAOYSA-N
-9391C127AAAD612C_E98A2C8EC49828DE_6029_UN,C[N]1N=CC(=C1)N(CC(=O)O)[S](C3=CC=C(N2CCN(C)C2=O)C=C3)(=O)=O,XSIFDFZCFNVFGP-UHFFFAOYSA-N
-94951EB645AFD248_5748F0733AE7973A_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=CC(=CC=C4)C[S](=O)(=O)C5CCCCC5,RZILOBUUNKYTHM-UHFFFAOYSA-N
-95367F3003EC8EB2_E70FE4A3DCB62A01_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,KPEBRLSVVHBMBW-UHFFFAOYSA-N
-957A1FC96EE71676_42DC4D20EED60E82_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CN([S](CC)(=O)=O)C3,JZYJWKIBHACQKM-UHFFFAOYSA-N
-961601EE60EF3746_A9AE8773EBF97CEF_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=C(C=C3)[S](=O)(=O)C4CCCC4)F,KLFVKPVPUJNNRY-UHFFFAOYSA-N
-99FB8BDADF1DD812_018D26FB9B9EC7AB_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=CC(=C4)F)[N](=O)=O,IBXMKNXPXFKQJY-UHFFFAOYSA-N
-9ABB7FBF4CF20C49_B7A1F38015483AFD_6038_UN,CC1=C(C=C(C=C1)NC(C(CCN(C)C)=C)=O)N2C(=O)CCC2=O,YKPJKMFNBQPNIC-UHFFFAOYSA-N
-9B7AA9887C58B1B5_B6C03F15C38538E7_6038_UN,CN1C=C(Cl)C(=CC1=O)OC(=O)C3=C2C=N[N](C2=NC(=C3)C4CC4)CC5=CC=CC=C5,VUYHLKYHMQRSKE-UHFFFAOYSA-N
-9CB210619A606671_C7294506E9C7F05D_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=C(S3)C4(CCC4)C#N)(=O)=O)C5=CN=CC=C5,VPJUNDCTNVKQRL-UHFFFAOYSA-N
-9CC57BFDAF72A41E_103370A13830784B_6036_UN,C(C1=NC=C(O1)C2=CC=C(C=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,UXOHJQWEYKRQQI-UHFFFAOYSA-N
-9E54269E265A3BD9_AE6DB8B15006118B_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)CC4,CKSSFYVAXSPKPS-UHFFFAOYSA-N
-9EACF45D3BD4CEE8_799296B189532ABF_7019_UN,O[C@@H](CC=CC1=C(OC)C=CC(=C1)F)C2=CC=CC=C2,ITYOKVANAPQGFB-INIZCTEOSA-N
-9F823B782AF448EF_D8FCE2D25082D43D_6029_UN,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C3=CN=C(C)C=C3)(=O)=O,MRDDFFDVELICJC-UHFFFAOYSA-N
-A015D4C6C2FFBEC6_904719AE60AAB2F4_6035_UN,CCC(OC1=CC(=CC(=C1)Br)C(OC)=O)C2=CC=CC=C2,HIUXZXCFEFKIRN-UHFFFAOYSA-N
-A1FD545A3607AC74_7BF85969897A5E1F_6029_UN,OC1(CN(C1)[S](C3=C[N]2N=CN=C2N=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,VSAWJPZKFFWBMI-UHFFFAOYSA-N
-A585F558A611486A_92480DD1A443C7C3_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)Br)(=O)=O,XQXKEISXUKXDTP-UHFFFAOYSA-N
-A6260803DD43035B_937B843689133B2A_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=C(C=C3)F)C4CC4,GXNOHMCBCQMUMD-UHFFFAOYSA-N
-A62FE3B4E601473E_2BD55E9498CD683E_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC(=C(C=C2)F)[S](C)(=O)=O)[N]3C4CCCC4,SBVIIOROXUAYSS-UHFFFAOYSA-N
-A77CB6B66BE9F9A6_83FD111EF2510186_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3(CCC3)C4=CC=CC=C4,NGQJKLPNUZSEHT-UHFFFAOYSA-N
-A88A46B3945D9415_A676E0A3B52E4228_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=C(CCC(C)C)C=CC=C3,QETPJKIRJQTQRP-UHFFFAOYSA-N
-A92465B8E9D2F384_EB80E49D3FB2F1DF_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2=C(C=CS2)[N]3C=NN=N3)N4CCCC4=O,NPKBUIXQICAZGC-UHFFFAOYSA-N
-A96EBF94EB60CABF_B5830BC0D3DD8C8B_6038_UN,CCCC(NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=NN=N[NH]3,FHAAAUSOKPAFRO-UHFFFAOYSA-N
-A9F4784111B79E47_26C07EBDB920713B_6038_UN,NC(=O)C3=CC1=C(C=CC(=C1)NC(C2=CC=CC(=C2)[S](C)=O)=O)[NH]3,KTZQZPOJAXAMPO-UHFFFAOYSA-N
-AACEBA528A9FD61C_D1070E183EB68C5E_6039_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)CC(NC3=C(C(OCC)=O)C=C(S3)CC)=O,ZPIFOXOSHLXQPI-UHFFFAOYSA-N
-AAD9A108E6AFEED0_B3902DC18EAD1C68_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C(=CC(=C4)Cl)Cl)[N](=O)=O,LNVRVZSBBVVWHN-UHFFFAOYSA-N
-AAF9D2347BF26D28_FE0294294839D22E_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N3CCC(C)(C3)C4=CC=C(C=C4)F,KWSCNFQLJBQPPJ-UHFFFAOYSA-N
-AB044F3DE398CE92_227A40FED310F5FA_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C(C(OCC)=O)[N](N=C2)CC)N3CCOC3=O,IDQJTZXNLLIYTH-UHFFFAOYSA-N
-AB0B411770C5E3D0_5D121C1D6F64B7BF_6038_UN,COC(=O)[C@@H](NC(CC(N(C)C)=O)=O)CC1=C[NH]C=N1,LZVKADBOGZQERA-VIFPVBQESA-N
-AD9D166C114AC589_5DAF190A78BD6EFB_6041_UN,FC2=C1N=CN=C(C1=CC=C2)N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,ZVPSIAXDIUTXSZ-KYZUINATSA-N
-AFFCA8AC8BE2C851_30C991E9B13BAC23_6041_UN,F[S](=O)(=O)C1=CC(=NC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,WBJFWSBVBFJRCO-HNNXBMFYSA-N
-B02BABB11E34E448_FA4FF18D45EEACE8_6038_UN,C[C@@H](OC(C1=C(CC(OCC)=O)N=CC=C1)=O)CC(=O)N(C)C,GJUHGMOWRBOORY-LLVKDONJSA-N
-B10250CF1D36C791_D05BD4E7EABC93BD_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,WZEFLTFZCPYHIA-UHFFFAOYSA-N
-B1EBE04DDAA39E7A_BF78D43762104618_6038_UN,O(C1=CC(=CC=C1)C2=CN=C(C=C2)F)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,IMLHPAIHALPIEU-UHFFFAOYSA-N
-B21055BF9842625C_C4BDEDA514B46AA9_2201_UN,C[S](=O)(=O)C2=C(C1=CC=C(C)C=C1)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCCC5,CCGZEJWIWYZYEV-UHFFFAOYSA-N
-B23C5458669DD859_4A792F085F65B532_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=C3C)C)CC4,QFFJZJWGNGWAGW-UHFFFAOYSA-N
-B2AE63DDFC686624_EC1F19E9A6C6DDA7_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C2=CC(=CC=C2)C3(O)CCC3,MIEOURMUDBFKOS-UHFFFAOYSA-N
-B2E64CD7F67ED4EB_7EDAC933B80E5A6F_6029_UN,C1=CC(=N[N]1[S](C2=C(C)C3=C(C=C2)CCC3)(=O)=O)C4=CC=CC=C4,WCEDRQRXGJAZJG-UHFFFAOYSA-N
-B413AC1A1DC7F4CB_E0CE178D92C17587_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=CC(=C2)OC)F,NBDDDNGZFMKDIO-UHFFFAOYSA-N
-B4184173782E81AA_08F8EB70453ED066_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,HNIPWQTVZFSNBN-UHFFFAOYSA-N
-B4C0F1B8515ACC12_993C383101F2DD5B_6029_UN,C1C=C(CN1[S](C2=NC=C(S2)C3=CC=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,KJPBCPVTZXOSCP-UHFFFAOYSA-N
-B55968CFDB4C121E_9CFB79774003C71F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CN=C(OC(C)C)C=N2)=O,MGILMXNDORWBSD-UHFFFAOYSA-N
-B8D40AA5DE962BD9_9AE63BF6889748F1_6038_UN,CCOC(=O)C1=C2[N](C=N1)C4=C(C(N(C2)C)=O)C=C(OC(C(C(C)C)N3C(=O)C=CC3=O)=O)C=C4,UYGFTHCGYQRCLU-UHFFFAOYSA-N
-BA2BB42A8FCF97DA_4E8C3BBE17D80559_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC3(CCC3)C4=CC=C(C=C4)C#N,RHOOGWKNXDBMOX-UHFFFAOYSA-N
-BA58886950D05FEE_BB927A3ED5EB5650_6029_UN,OC1(CCN(CCC1)[S](C2=CC(=CC=C2)[N]3C=NC=N3)(=O)=O)C4=CC=CC=C4,QFZKLCFKWAUNGZ-UHFFFAOYSA-N
-BE57C6EACD5B0FA9_6546094DE53686B3_6036_UN,C(C1=NC=C(O1)C2=CC=C(C=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,ZKAWSEKKNBIMQH-UHFFFAOYSA-N
-BF59EFE23CBF6FDA_AE7043A58CB85BB6_6029_UN,FC1(CN(C1)[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CN=CC=C4,XPBXLAGYEJGZNL-UHFFFAOYSA-N
-BF7B360C8B27EA73_CEF416360EC6FA35_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CN=C(C=C3)C4=CSC=N4)(=O)=O,QVVBLHZLUDXZIX-UHFFFAOYSA-N
-C0031A0F7E7F2BEC_BC397024C56FC8E1_6041_UN,CC1=C(C=C(C=C1)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C)N=C=O,OBJDXJOVSMGNJS-NNBQYGFHSA-N
-C07488302D36FB1F_069D73F8E753C1C8_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C(OC)=O)C=CN=C3)=O,VCBLPDUKDFYSNS-UHFFFAOYSA-N
-C10011920D8A6CB7_1A25E08DA9FB7A15_6038_UN,N(CC1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,JBLYJIIVNNTHNO-UHFFFAOYSA-N
-C31B4BCFD8B6041E_13345AEB814671B0_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC3ON=C(CC)C3,YCTVQDIWBDAUBH-UHFFFAOYSA-N
-C561E09A950FF300_24B86ADDA8435E6E_6038_UN,CCON(CC)C(=O)CNC(CCC1=CC=C(C(OC)=O)[NH]1)=O,HLWMOQKTYGKPDF-UHFFFAOYSA-N
-C621C149045E88AF_7291F461511836DF_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=C(C)C=C(C=N4)[N](=O)=O,KPQKMKJEAWPWAH-UHFFFAOYSA-N
-C6C8570C3124D1B6_326D2B158A4A897A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C=C(C=C3)F)OC4CCCC4,YVZDAJPRLCMKGV-UHFFFAOYSA-N
-C7D60CF9B1E3CF64_26631EA01BEE9251_6026_UN,CN(C)CC1=CC=C(C=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,NQEDDOSHUWHNHY-UHFFFAOYSA-N
-C7E6C54471BE96E4_6028AFEA47379DCF_6039_UN,O(C2=C(N=C1C=CC=CC1=C2)C3CC3)CC4=CC=C([S](C)(=O)=O)C=C4,AZNBGYVSSWRNBB-UHFFFAOYSA-N
-C86F7070C2BD4E29_727C2ED86878F2B4_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(C=CC(=C3)C)C)CC4,YVNZPVXRHPTDJW-UHFFFAOYSA-N
-C99ACC4E6B334ABC_8D82FFA061ADD18C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCCCN([S](C)(=O)=O)CC4=CN=CC=C4,VKBIFAXKPPEMBC-UHFFFAOYSA-N
-CB1D15661C2B60EE_CF0648F77DE1C4E6_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2CC3=C[N](=CC=C3)=O)C4=O)N5CCNCC5,IAODAGDHINSBFT-UHFFFAOYSA-N
-CB67C49D32EDC07C_CFBA21B8FE9CDC6C_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,CTTFRKQDADQTML-UHFFFAOYSA-N
-CB784D50BF5C495E_DFA08E366BCFF8C1_6029_UN,C(OC1=CC=CC=C1)C2CCCN(C2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,HVMILOMSQYULSR-UHFFFAOYSA-N
-CBC626F51AA488B4_A1FB0C719765F7A6_6029_UN,OC1=C(C=CC=C1)C(=O)N2CCN(CC2)[S](C3=C[N](CC)N=C3CCl)(=O)=O,SNJCIPMQWFIJQU-UHFFFAOYSA-N
-CDA5EDF6C8ACEB9E_BC07EF744C9F7060_6038_UN,O(CCCN1C(=O)C=CC1=O)C(C2=C(N(C)C)C=CC=N2)=O,UHQFHJGWZBDAGW-UHFFFAOYSA-N
-CEFC652EC73A1DF3_CF2301EF0B8A030D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)[S](=O)(=O)C)C,KJOLRPUQQKPMAI-UHFFFAOYSA-N
-CF30BEE21A603500_53338EBED38D2236_6035_UN,CC(OC1=CC(=CC(=C1)Br)C(OC)=O)C2=CC=CC=C2,IEYGZGWEWPWYDS-UHFFFAOYSA-N
-D167F72BA2956303_255C1FFC3B9EE53B_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(O)CCNCC4,JOQBUXLXNHNYRL-UHFFFAOYSA-N
-D1F4BA2DA34C3515_7ED97B603DCF9C25_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N(C3=CC=CC(=C3)F)C4CCC4,ODFRCSPYRWKYRW-UHFFFAOYSA-N
-D2F5240FCBFF67D6_E51052172C074B6F_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC(=CC=C3)Br)(=O)=O,LIZDQBPXQXFHGB-UHFFFAOYSA-N
-D4B9DA1D78903F0E_34520260FA4314BF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(C)C4=C(OCC3)C=CC=C4,AETAJOHLDCQACU-UHFFFAOYSA-N
-D5EEBDE4660D51BE_A8FFB65CE030F2AD_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3)C)CC4,BJCVVHWWPLYMHT-UHFFFAOYSA-N
-D639FB89CA31BE86_574C80C15184FAAE_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCCCC3=C(C)[N](C(=C3)C)C,IOHJWYBKTSKXAF-UHFFFAOYSA-N
-D8090336055A1D58_32F331CDF372646F_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC2ON=C(CC)C2)N3C(=O)C=CC3=O,DPYZKHIFICMVOK-UHFFFAOYSA-N
-D8170F11172BBE1C_6FE2E50174439A4B_2201_UN,CCC2(O)CCCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4,DLWLTUINDUNILN-UHFFFAOYSA-N
-DA7D0D81A3405CBA_352CF3F59532B2E1_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=C(F)C=C(C=C3)C#N)CC4,CFRCFEYDJITFES-UHFFFAOYSA-N
-DC446E99425D8918_813236528D2839C3_2201_UN,CC[S](=O)(=O)C2=C(C1=CC=C(C)C=C1)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCCC5,NEZWSFKCCOTRGR-UHFFFAOYSA-N
-DC6E30F672E0E45C_6A7523D40A4951D3_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2N=CC=N2)CCN(C3=CC(=CC(=C3)F)C#N)CC4,QAARMSRKUVAKFW-UHFFFAOYSA-N
-DC807CF339DE8F0B_7B99FC5953E38A7E_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=CN=C(SC)N=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,CUCNHEHSFXKFEB-UHFFFAOYSA-N
-DCA0F72EE0813B05_1639025C82752767_6038_DP,CC(C)C(OC(C1=C(C(O)=O)N=CC=N1)=O)CN(C)C,OIVZRNQSHJBLBO-UHFFFAOYSA-N
-DD07F71A0A000EC7_CB2B7D1355275667_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(C)C=C(N=C2)O)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,BVOPFZSNKOAHIE-UHFFFAOYSA-N
-E035FEF1BA042E94_8E0AD664DF60CF4A_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(CCN(CC)CC)=C)=O,IAZKKMATLMMHRM-UHFFFAOYSA-N
-E1E6CE50004BF945_ECF5954406A9637C_6039_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OCCCC(N(C)C)=O,GFKKEDGZPQYAMA-UHFFFAOYSA-N
-E2AC8DCC4A7E872E_307CEB720CC74855_6043_UN,C1(=NC(=CC=C1)C2CC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C#C,WHZWBUSDCAXWOR-UHFFFAOYSA-N
-E3A9E06E4290E74B_986C3DA6DB4905DB_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCCCN([S](C)(=O)=O)CC4=CN=CC=C4,VEVOZUWBLXZBFE-UHFFFAOYSA-N
-E4105298952FE19C_7D6D83EA5F7BDC09_6028_UN,C1CC(CCN1[S](C3=C2C=CC=CC2=C(N=N3)C4=CC=CC=C4)(=O)=O)C5=CSC=N5,CYKKKJZQOFQKFX-UHFFFAOYSA-N
-E5AE0E85360F53EF_F119A6A3E6AF1C9D_7005_UN,N1=C(CC#C[Si](C)(C)C)[NH]C2=CC(=CC=C12)C4=NC3=C(C=CC=C3)S4,UWLSEETWCAKPTE-UHFFFAOYSA-N
-E8B6E02F431EFF74_0569BB9D341ADA7B_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC3=CC=C(C=C3)C4(CC4)C#N,PNETVXVBXSCTOY-UHFFFAOYSA-N
-E9645E9290490607_9F443A6229C38B5F_6026_UN,FC1=C(C=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3,UQSRAMIWUZUZGH-UHFFFAOYSA-N
-EA9C2FDEA9D325D0_06DD99CB294C22F9_7022_UN,C1(=CC=C(C=C1)CN2CCOCC2)NC4=C3N=C[N](C3=NC=N4)CCOC[P](=O)(O)O,OMGYZILHNGOAET-UHFFFAOYSA-N
-EB1311EDE0BD068A_AED4882DBD294B28_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C2=CC=C(C=C2)C3(O)CCC3,AOQPDDZZZFTTSU-UHFFFAOYSA-N
-EB49FB91C61AEDDF_E4AE0774A9A2916C_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC5=CC=C([S](N4CCCC(C)C4)(=O)=O)C=C5,HTGOZALLDAHYKX-UHFFFAOYSA-N
-EBD796158B6190A0_6C099E9674A79422_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(Cl)C=C3)CC4,KMOWYYMKCUYPCO-UHFFFAOYSA-N
-EC4E1B6ED1A78F79_C947F93681F2D552_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=C(C=CC=C3)[S](=O)(=O)C4CCCC4)F,KHMPVOOIWPMGMN-UHFFFAOYSA-N
-EC6ED408F54E416D_F74F9E20622E260F_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=C(C(=C4)F)[N](=O)=O)Br,BJGMVEZGZHGREJ-UHFFFAOYSA-N
-ECF5251E0654B4EF_7829F6E5B28B730B_6034_UN,O[S](=O)(=O)CC2=NC1=C(C=CC=C1)C(=O)N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,HOTTWPQAIHVPDQ-UHFFFAOYSA-N
-EDE75A7BF9DD3431_69C1F712A6DD4E91_6038_UN,N(C1=C(C(=C(C=C1)F)I)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,ZTRVMWQVANJAJB-UHFFFAOYSA-N
-EE223CFC5F48AD73_A3FEE0CBE588897D_6029_UN,N(N1C(CC1)=O)[S](C2=CC(=C(C(OC)=O)C=C2)F)(=O)=O,HZHCAISOMXCCLP-UHFFFAOYSA-N
-EE22EA646691BB59_5CAF4AA916B6A694_6038_UN,O(C1CC=CC1)C(C2=CC(=CC(=C2)[N]3N=NN=C3C)F)=O,SAGGHHKKJBLWFQ-UHFFFAOYSA-N
-EF0A22EC82F59C68_8A658BE98006D3A1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC(=CC=C4)N5CCC[S]5(=O)=O,AHIXFKLZCRBIGT-UHFFFAOYSA-N
-EF64FD4704836709_0BEFA471DBACA1F2_6029_UN,CC1(CC(C1)N[S](C3=C(C2(O)CCCCC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,RTVLUEHRQLLVEN-UHFFFAOYSA-N
-F138B03EEFB8DA17_D9A3A92FBA69D4B0_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCCC4)F,ZNJPGBBYZPHUTC-UHFFFAOYSA-N
-F141F5314082752F_7E5BFD969AE67499_6029_UN,C1C=C(CN1[S](C2=CC=C(CC(F)F)C=C2)(=O)=O)C3=NC=CC=C3,RGJKFFKROHXCON-UHFFFAOYSA-N
-F181A18043BA00C4_A16CF87EDE760985_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(C)[N](C(=C3)C)CC4=CC=NC=C4)=O,BFUXXEJPZHUQOO-UHFFFAOYSA-N
-F5D29A4DA254268A_176FFC4462B73BD1_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4,NVYBWWNUUXMKGC-UHFFFAOYSA-N
-F70AF17379792F68_7E7C0AF64B5F7922_6039_UN,CC(OCC1=C(C(OCC)=O)CNC(N1)=O)C(=O)N(C)C,BPNFBVMPKHBIMI-UHFFFAOYSA-N
-F88F5C786CC156B2_9BDD7D994390A748_6038_UN,CC(C)C(OC(C1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,NNYGYCOGAVPREW-UHFFFAOYSA-N
-F8EE4D0B9633ECA2_FC9E708D0C9BCC19_6038_UN,CC[N]3C=C(CNC(=O)C1=NC=CC(=C1)C2CC2)C4=C3C=CC=C4,YVVIJABWPQCVJH-UHFFFAOYSA-N
-F97BC462790EC41B_4529FB73F90FFD1B_6041_UN,F[S](=O)(=O)C1=CC(=NC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,WBJFWSBVBFJRCO-OAHLLOKOSA-N
-F9A339A31D1A3D1D_791AD3456A27DC87_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=C(CC)N=CN=C3)=O,MJABDSDVVWPVAL-UHFFFAOYSA-N
-F9C8D0736770FC47_681275B4E29A6A9F_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,GQBBBYQWZRGTKD-UHFFFAOYSA-N
-FA1E063172E714F0_FA90D0AD849CCB87_2201_UN,C[S](=O)(=O)C2=C(C1=CC=C(C)C=C1)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCCCC5,XAOJLHAOKRSWIV-UHFFFAOYSA-N
-FAD415AE1BF16135_FB3E878E17D3EB9E_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)C(CC4=CN=CC=C4)([P](=O)(O)O)[P](=O)(O)O,TWNNOIBDNVQAJT-UHFFFAOYSA-N
-FB6AACAED26D83EC_D3EDEF1769E28C37_6029_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C4=CC=CC(=C4)C(C)Br)(=O)=O,YZWKZSLNPZZHAB-UHFFFAOYSA-N
-FD4EFBD7C50F96DF_A55EF583AF6E305A_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=C(C=CC(=C4)F)[N](=O)=O,DUTFJGNVTAMTID-UHFFFAOYSA-N
-FD873E652FC80D4A_93E39C58C25C6A54_6031_UN,O(C(=O)C1=CC(NN=C1)=O)CC(C(OCC)=O)(CC)CC,VQJRRYJMECYVMM-UHFFFAOYSA-N
-FE1103FEC12E3F20_7755CD9D7C5975ED_7017_UN,N3([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C)CN(CC3C)C4=CC=NC=C4,CNNPZMQIYIAIFI-UHFFFAOYSA-N
-FFC8B9623EFDAE56_6C00D685D87C7708_2201_UN,C[S](=O)(=O)C2=C(C1=CC=C(C)C=C1)C4=C(N=C2C3=CC=CC=C3)SC5=C4CCC5,DRYYREQROUTNRN-UHFFFAOYSA-N
-01186BFBD9C8CE8E_DEBFC70F252ABAE5_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(CC)C=C3)(=O)=O,HLOPZKLPTOWFNR-UHFFFAOYSA-N
-02B8DDB16507CB77_4480358C7B60C205_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C)C3=CC=C(C=C3)N(C)C,SZWYQKUYHCKNKQ-UHFFFAOYSA-N
-0321DCC0B343B1FB_917A67A5D1A68D8A_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,WREJUJZCPYYIFG-UHFFFAOYSA-N
-03E8CAF10360B3F9_962AC20F83BBAE4B_6029_UN,CC1=C2C(=C(C=C1)F)N(CCC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,VYJIWFLZRDQYLD-UHFFFAOYSA-N
-04409C648C32C4C0_BAF229E17FFE8DEA_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3CCOC4=C3C=C(SC)C=C4,IXQMESQIYSFISL-UHFFFAOYSA-N
-05F7C55C3A34988F_7001BA3DEAB4E4CF_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(OC)C=C3)(=O)=O,RFFCMXMFYCIOAW-UHFFFAOYSA-N
-071505153892DB1E_FCECD50767069E8C_7017_UN,N4([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CCN(C3=CC(=CC(=C3)F)C#N)CC4,UJJMVYYHVSAOKL-UHFFFAOYSA-N
-0743FDC648D0E0DB_A0AE4110F5921D83_6029_DP,FC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,WCRIQHBJUPIUHJ-UHFFFAOYSA-N
-0870FB2A377D478F_0DEED306E714E1EA_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=CC=C([S](N(C)C)(=O)=O)C=C4,TULXUTMNBVWJNR-UHFFFAOYSA-N
-08B04C1719D62B55_4EA8A62E46FCD6E9_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O)C5=CC=CC=C5,IQXJWFBGKLYQFU-UHFFFAOYSA-N
-08CB46623F8F8259_80031EBE4F6FDE8C_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)OC(=N3)C,KTNITDWVUPLIGM-UHFFFAOYSA-N
-0AAABC0B2222BF50_9B6F6F23330EA55F_6003_UN,CC1=CC(=CC=C1)N3CCC(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CC3,RFIAIKRFXZCKBV-UHFFFAOYSA-N
-0AC648F235E19FD1_0565A38FACE01AF5_6041_UN,O=[N]1=CC(=NC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,YIXACBUIVLEDEO-AWEZNQCLSA-N
-0CFE0166C7BDBF11_9E8E32E00C8917DB_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,CFTCQYNPLHBSPU-UHFFFAOYSA-N
-0D3DE3314BCEDE70_AFE1260CB3E2487C_7019_UN,CC1=C(C=N[N]1C)C2=C4C(=CC(=C2)C=CC3=C[N](C)C=N3)OCO4,NMKUIECBANPOHA-UHFFFAOYSA-N
-0E2AB88BC9AEA76D_4066472AE13F733A_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C[N]2N=NN=C2C(C)C)=O,UYRCUSXYACLBKS-UHFFFAOYSA-N
-0EC153AA0D56E675_112D5A10E4A578A6_6029_UN,FC1=C(C=CC=C1)C=C2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,KVJNNZOTCZCIMP-UHFFFAOYSA-N
-0F88B856E1F0632F_E240239ECEF4E035_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC3=C(OC)C=CC(=C3)C(=O)N4CCN(C)CC4,FORZLWZULDMVDI-UHFFFAOYSA-N
-0F8DC2D31BA8A21F_D7251ACBC41581A8_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O)C=CC=C4,ULBYIOFKWUTHKF-UHFFFAOYSA-N
-0FBCFCB296FDF396_189264710DC53513_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2=CC(=CC(=C2)F)N3CCOCC3)C=CC=C4,WSJJUSDRLSHULN-UHFFFAOYSA-N
-10BEC7C87E2D6130_940812536ED8D257_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)C=CC=C2)N(C3=C(F)C=CC=C3)C4CCCC4,ATYRWTHVFDCYHU-UHFFFAOYSA-N
-10E04FA3E03FE2C3_D5ABF7C9FDE5B7BB_6041_UN,CC1=CC(=C(C=C1)NC3CCN(C2=C(CC)C=CC=C2)CC3)N=C=O,TVEFKGKDTUGFFZ-UHFFFAOYSA-N
-115247192DAAD939_2F5A2ABA2DADBBC9_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4)Cl,NWABSBOZXIZSBP-UHFFFAOYSA-N
-11FEECDCF3D9C7BA_350528D6B5479CC2_2201_UN,CC(C)CC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,PLMSUPKBQUJLRG-UHFFFAOYSA-N
-12C3F7C9988F9ACE_76CD9BF5BE15DFD7_6029_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C5=CC=C(C4(C)CC4)C=C5)(=O)=O,XVUUEKMAXGSPQT-UHFFFAOYSA-N
-13546A45DEF0A1B6_AB94FCF36B22C2D8_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,BYBSFQFXFJMOEN-UHFFFAOYSA-N
-1530C589D5D84622_71624FB8FDAABC74_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,VQQKQNAJCLMHLA-UHFFFAOYSA-N
-1576A3425BD17BF8_2F6CB5C1995D7115_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(OC)C)=O,ODROZYAKVJVKKH-UHFFFAOYSA-N
-15CEC32241764A51_BADDB1C8402B30F9_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,DQFIIFPUUZLFBN-UHFFFAOYSA-N
-16333DA7D6EC23B1_17071724CECEA716_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3=O)NCCC4=CC=C([Si](C)(C)C)C=C4,RDVAUPWMJLEEJB-UHFFFAOYSA-N
-1756CBD2906E098D_CFB8A37ECF96DF50_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)C=CC=C2)N(C3=CC=C(F)C=C3)C4CCCC4,FDADAXKXRURORC-UHFFFAOYSA-N
-17BFAB8F83F9EB6F_16D6F6D9406CC667_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3CCOC4=C3C=C(SC)C=C4,ZDGXVWIYGQQAHJ-UHFFFAOYSA-N
-18915451C0468468_DFCEEA5AAA11C7B6_6041_UN,C[N]1C(=NC2=C1C=CN=C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,NTCYNNDURPVLSB-ZDUSSCGKSA-N
-190C16BA962D1670_87CFEDD9373D6F08_6005_UN,CC1=N[NH]C(=N1)C2=C(C=CC=C2)C3=CC4=C(C=C3)OC(C)C4,JMLMBMIIAXGBKO-UHFFFAOYSA-N
-19794585E0575BE9_30F699F88AE213C8_6029_UN,C2CCC1=C(C=CC=C1)CN(C2)[S](C3=CC(=C(C=C3)[N]4C=CC=N4)C)(=O)=O,ZVOFLZGROOPCQY-UHFFFAOYSA-N
-1AF47E7BE980A561_200DE7CD22DBCD0D_6041_DP,N2CC[N]1N=CC(=C1C2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,FMRHIPNDLYRJBR-UHFFFAOYSA-N
-1AF47E7BE980A561_4ED7535F772771E4_7022_DP,N2CC[N]1N=CC(=C1C2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,FMRHIPNDLYRJBR-UHFFFAOYSA-N
-1BB93327B68E8F6E_241ACC2B5A68080D_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NCC4=CC=C(C)[N]4C,CFSNUQWYZQRWEM-UHFFFAOYSA-N
-1BE85C2FC9CDD10E_4ABECBE89BCC2C07_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4)Cl,RLBULYTUDMYBPV-UHFFFAOYSA-N
-1C682ECD9BDD381C_1E10E765C1B164C4_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)O[C@H](C)C3=NC2=C(C=CC=C2)S3,OYYPDVBWEWTSQJ-CYBMUJFWSA-N
-1DA739F76CE49EB4_46316E1D5E9289ED_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC4=C(N3CCN(C)CC3)C=CC(=C4)F,XUCVWGBSDWPCMU-UHFFFAOYSA-N
-1E0DBE46A134446B_A53AD8CF0277C2E9_6041_UN,COC1=CC(=CC(=C1)NC2C3=C(OC2)C=CC=C3)OC,JEXLTPXSLOGRRN-UHFFFAOYSA-N
-1E2CF57EFDCEA696_9C47B5C63BA75130_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=N2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,NWXQPWGHDCNYIX-UHFFFAOYSA-N
-1FA15F1ABD866BE8_93AF51228F48DE79_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,JVVSGRUQOGNKLD-UHFFFAOYSA-N
-2001714300B557B1_9113649D1759CACE_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,GEWLYHPEKNNVCB-UHFFFAOYSA-N
-201F6CD4B39F2223_05B3562FB3B8C61E_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=CC(=C(C=C3)Br)C)CC4,MUNJHKWSXOVKLS-UHFFFAOYSA-N
-204991D4EA5FAD3E_9BD7648B0EC77E76_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C)C=C2)C=C(Cl)Cl,KDMALRZHYXBVMB-UHFFFAOYSA-N
-20807832CBF86FCF_E2FFE7C3F08C3394_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCCN3CCN([S](C)(=O)=O)CC3,YUADHHHCZLTSBQ-UHFFFAOYSA-N
-2310D93CBB7AB958_8E1BC7F134333380_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=CC=C3F,RMINOAZTDICUSG-UHFFFAOYSA-N
-234EA8B86888094E_8BEF6B938EC267B7_6041_UN,C1(=CN=C2COCC[N]12)NC3=C(C=C(N(C)C)C=C3)C,OSNTZEVEOXMBDI-UHFFFAOYSA-N
-242A14A758823852_1776488E2EEEC4BA_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC(=C(C=C3)O)C,IFTPKVKJKLYUQX-UHFFFAOYSA-N
-24471863EA1F517B_8ABCEDA38867D4B8_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2=C(C=C(C=C2)F)N3CCOCC3)C=CC=C4,MRDSXVYQDBUSEU-UHFFFAOYSA-N
-249D46F923C726DB_DBB9E1C62CB25448_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC4=C3CN(CCC)C4,NCJDHMADFSUGOZ-UHFFFAOYSA-N
-259D7828D8B1D166_929369A1EC04E283_6038_UN,O(C1=C(C=CC=C1)C=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,ANBCUZKRJGAZNP-UHFFFAOYSA-N
-25B70665F2E356E2_2ACA0CE4FACA3A33_6029_UN,ClC1=C(C(=CC=C1)Cl)N2CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,WTXJMCWPOJTVGZ-UHFFFAOYSA-N
-280A64D302634421_393695C9B18F0992_2201_UN,CC(C)C3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34,KVOVXUDZSLXSNL-UHFFFAOYSA-N
-299ECD072A05B134_CFEE688B1DC52409_2201_DP,CC3CNC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34,SZHVDMBZERXNLP-UHFFFAOYSA-N
-2B6BB3C6FF61FA2B_484241538065E383_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=CC(=C4)C(N(C)C)=O,XEZQPGMZHABTIA-UHFFFAOYSA-N
-2DF40779630F762E_8EAF37E11A5ED0D3_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,WCFLXOLVQSNNSJ-UHFFFAOYSA-N
-2F406273F2C4176E_C587B1EEB251CEC2_6041_UN,C2(=C1CCCCC1=NC=C2)NCC3=CC=C(C[S](C)(=O)=O)C=C3,NOPYSBJEYBVABQ-UHFFFAOYSA-N
-2F5D1F7733810D2C_A87B842039C0E7D3_6041_UN,C[N]1C(=CC2=C1C=CC=C2)NC3COC4=C3C=C(C)C=C4,DGIAMZCEHLUNBW-UHFFFAOYSA-N
-2FB97231F9653101_B353EF37178F142C_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C[N](CCN(C)C)N=C2)N3CCOC3=O,BWQFZICSKWCFOH-UHFFFAOYSA-N
-3026E527801216A2_61818F3D49244F72_7019_UN,C([C@@H]1CCC(=O)N1)=CC2=CC=CC(=C2)C3=CC=C(Cl)C=C3,GEJBKDKVZGSVOH-QGZVFWFLSA-N
-309E128B32C2E068_4F3DE3D5D47CAF87_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=CC=CC(=C2)[S](F)(F)(F)(F)F)(=O)=O,HSKVKISOBMCPCA-UHFFFAOYSA-N
-32EF709F697F0801_146DC0051312AF6A_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C3=CC(=CC4=C3C=CC=C4)C)(=O)=O)C=CC=C5,NCSREXHUMSFFCI-UHFFFAOYSA-N
-32FAB1486112F5C4_1A6028323190FCA2_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=CC=CC(=C2)[S](F)(F)(F)(F)F)(=O)=O,QFCDPLCALHOOJT-UHFFFAOYSA-N
-34A7DEADD3A92D40_8662F48D5C6DEC49_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2C(CCC3)=O)NCC4=CC=C([Si](C)(C)C)C=C4,BCKNNKVONAGKAV-UHFFFAOYSA-N
-356914411380BD80_658B912742D17581_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N4CCC(CC4)OC5=NC=CC=C5,YXIXDOGRTVJJCB-UHFFFAOYSA-N
-39259267FBF7AC51_F85C547F0FEF18B0_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=C(C=C(CC)C=C4)Cl)(=O)=O,WJDBAWRMQGGODB-UHFFFAOYSA-N
-39A2B6163BF1C7F1_0FC751B840157DAD_2201_UN,CC2=CC1=NC4=C(C(=C1C(C2)C3=CC=CC=C3)C)C(=N[N]4C)C,YQCBEUPZXZQKGL-UHFFFAOYSA-N
-3A75C58E708DBFDB_A8C24C79967FAE9F_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CN=CC=C3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,VZWVTLLMDXWPOX-IYBDPMFKSA-N
-3B3026E8064A8776_E69AAC01B49A8299_7019_UN,C(C2=CC1=C(C=CC=C1)C(=O)N2)=CC3=C(C=CC(=C3)OC)O,UWGGEWNQRGAIJM-UHFFFAOYSA-N
-3BC879F932FF75CF_950D58652C331AC9_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2C(CCC3)=O)NCCC4=CC=C([Si](C)(C)C)C=C4,FXKLVSXNJWBAQV-UHFFFAOYSA-N
-3CBD5E76E858E7B8_0A750C8159C7B2CF_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]2CCN(C2)C(=O)C3=CC=C(C=C3)F)C=CC=C4,ZBRUPMRPQHYXJV-INIZCTEOSA-N
-40A72DECB0C6876F_C6F862BE79DD9F5A_7019_UN,C(C1=CSC2=NCCCN12)=CC3=CC(=NC=C3)N(C)C,RTXKHXDZWQQWGJ-UHFFFAOYSA-N
-4215EEFA8CBB7575_D24270530BC6C861_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C=CC=C3,ITNMNNBWGNSCBZ-UHFFFAOYSA-N
-47F3DE933865845B_7B2B26C3BC96E14C_6029_UN,CN1CCN(C2=C1C=CC(=C2)Cl)[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O,QWVUEUWIPOVWSB-UHFFFAOYSA-N
-485967BACEBC8879_603BCC6DAEC43E8E_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2=CC(=C(C=C2)F)N3CCOCC3)C=CC=C4,SZRRAZKOAVKZLD-UHFFFAOYSA-N
-490D1B3B491390D7_7CB30F284EF4148E_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=CC=CC(=C2O)C)(=O)=O,WRMORFFANSEFIC-UHFFFAOYSA-N
-4CAFE61922A98D2D_F76C389D02615A57_6041_UN,CC1=NC4=C(C(=N1)NCC2=CC=CC(=C2)N(C)C)C3=C(CCC3)S4,ABPKCEBSQSKNAC-UHFFFAOYSA-N
-4CD4104E568DAE2E_056ACB3377648393_6006_UN,CC(C)SC1=NC(=NC(=C1)C2=CC3=C(C=C2)OC4=C3C=CC=C4)C,MVXKYESKRRCZFK-UHFFFAOYSA-N
-4CE71D647E92B35C_04BFE8EBC2DDC1E0_6041_UN,COCC1=CC=C(C=C1)NC2(C)C3=C(OCC2)C=CC=C3,CRFABWSQRIELSW-UHFFFAOYSA-N
-4DAAF8A68D095302_DDFE016CD198B543_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,PQLVFERHIMMCGU-UHFFFAOYSA-N
-4FDDD137CD8E5FE0_3DFB47262212E57D_6028_UN,C1CC2(CC1)C5=C(CN(C2)[S](C3=C(C=CC(=N3)C4=CC=CC=C4)C#N)(=O)=O)C=CC=C5,YVKZTWKUDZNANK-UHFFFAOYSA-N
-50125CA134833CBF_914449497A7C7C38_6034_UN,CC1=C(C3=C(N1CC(C2=NN=C[N]2C)N)C=CC=C3)C,WZSIFWPVQLUNTG-UHFFFAOYSA-N
-511DFD698FF3492C_6A8BA2FFF7DBAAA9_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,YUODCURQBMYPLF-UHFFFAOYSA-N
-5408F6A7EEF59BEF_B9576B8814A1784A_2201_UN,CC4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)C4,SJGPRZMBCBNOOC-UHFFFAOYSA-N
-550DEECFCB43B407_63C7BE47A20DFF88_6041_UN,CN(C)C1=NC(=CN=C1)N[C@@H]2C3=C(OCC2)C=CC=C3,YXGOLYRNAWNXKS-LBPRGKRZSA-N
-55BFBBFA580C0B34_C09724B403206871_6041_UN,CC1=C(C=CC(=C1)NC(C(C)C)C2=CC(=C(C=C2)F)C#N)N3C=NC(=O)N3,YHQOIPORGIXWDI-UHFFFAOYSA-N
-568AE20A1FFAE623_6DA1441E7DB3B7BA_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,CCNIPAKEXMOZHF-UHFFFAOYSA-N
-597E805FA6FE1A3D_A16EF9900DE3BB7B_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCN(C3=C(F)C=C(C=C3)C#N)CC4,CMRAVVSZVNBJSN-UHFFFAOYSA-N
-5EAE3F5970A534A4_4E07A92EE5D8C1FE_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,SPRBYRFXSWVHBR-UHFFFAOYSA-N
-5F71F3789FA72369_1DFB541424F8253F_6038_UN,O(C1=CC=C(C=C1)CC=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,IJVROTKEYGTLHP-UHFFFAOYSA-N
-5FCAB47D31959113_F11D8B97131A0677_6041_UN,CC3=CC1=C(C(=CC=C1)NCC2=NN=C(C(C)C)[N]2C)[NH]3,RCCDGFJFCKWLSD-UHFFFAOYSA-N
-6031C9D3F27A615D_6E37EED9A42783A2_7022_UN,CC1=C(C=CC(=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C)F,ZPDQWGVYZYMKJU-UHFFFAOYSA-N
-603631416C62D628_7FB6DF8152843409_6041_UN,CN1CCC[C@H]1C2=CN=C(C=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,XBISFJUODOFEKQ-IRXDYDNUSA-N
-627DA9D3929B9FB5_4EA4E44B8F443512_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC3=C(CC(OC)=O)C=C4C(=C3)OCCO4,GOQPZULCOFIDER-UHFFFAOYSA-N
-62A5CBFCD4AC4458_66A3CEC8FDB90840_6041_UN,C1(=CC=C(C=C1)C2OCCO2)N[C@H]3[C@H](OC)CCOC3,XRTQXTIIHZWHQL-ZIAGYGMSSA-N
-6874D9227F48DA47_E336584807E9AC66_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2C(CCC3)=O)NCC4=CC=C(C#C[Si](C)(C)C)C=C4,SQHXAKKCLQMSKH-UHFFFAOYSA-N
-68A3E972FF46D4E3_D0479D4A8B5B5733_7019_UN,C([C@@H]1CCC(=O)N1)=CC3=CC=C(C2=CC=C(Cl)C=C2)C=C3,GBGUFLIMMBTJIT-QGZVFWFLSA-N
-68D534B35129C57B_D22ABD42ADC9D457_6029_UN,C2CC1=C(C=CC=C1)N(C3=C2C=CC=C3)[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,XVMHDZCGFHETED-UHFFFAOYSA-N
-693CDF6DC56C4264_44E1E62819A8DFF2_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=C(CC)C=C(C=C4)F)(=O)=O,HIHCCDAHPHJSRG-UHFFFAOYSA-N
-6AC27E00BE48B875_05DEA82514406854_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=C(C)[N]4C,LONRUBWPSJQRJV-UHFFFAOYSA-N
-6E88911A1E9CCD33_0DE72F51DB204699_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,SYJXMWGSNFOLKF-UHFFFAOYSA-N
-701944C75421B7AE_62F9C57F01541E43_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2CC(N(C2)C3=C(C=CC=C3)F)=O)C=CC=C4,FRFYFFPVKOTPHP-UHFFFAOYSA-N
-70A2288295B66626_2912AB651FACFBE5_6029_UN,C1C5=C(C2(C1)CN(CCC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O)C=CC=C5,UXHAADOATFRTQS-UHFFFAOYSA-N
-73548FB0A62C9411_3B045FD42B7BDB3F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3(CCN(C)CC3)C4=CC=CC=C4,CNPJKSMWMZSKMR-UHFFFAOYSA-N
-74E5EAA1A4D6E731_E077B9B5BF7CE7A4_6041_UN,CN1CCC[C@H]1C2=C(N=CC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,RDTFTRIBDRWRFX-IRXDYDNUSA-N
-75EA1297B3355438_6AEAF11560B85B67_6029_UN,C1C4=C(C2(C1)CN(CCC2)[S](C3=CC=CC(=C3)C(C)Br)(=O)=O)C=CC=C4,SKDXPSSDMTWYHI-UHFFFAOYSA-N
-78A1F9B9F4AB3920_51C75F4ABCE5C73B_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC(C)C3COC4=C3C=CC=C4,KNHFBZFDOODIAS-UHFFFAOYSA-N
-794C427675EE0DD3_664DC097D2FC89F3_6039_UN,O(C1=CC=CC=CC1=O)CC(C2=CC=CC(=C2)OC)=O,XMYGIKDLIIFHTN-UHFFFAOYSA-N
-79E27001E7086676_99198958229D8149_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3(CCC3)C4=NC=CC=C4,KRKBEKYSVUVDLX-UHFFFAOYSA-N
-7A1A28C413663EE4_8EED1C24CD568810_2201_UN,CC(C)C4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C=C4,FAJYANZLLGLMPD-UHFFFAOYSA-N
-7A464CE9084ACA6C_CC0D081C92BB0EDC_6034_UN,C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CCC4=CC=C([S](C)(=O)=O)C=C4,FODUMNZEGZTCFE-UHFFFAOYSA-N
-7A9FF14C580E6760_5BB25F057A9978BB_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,UWEMPDHPXISFQP-UHFFFAOYSA-N
-7D8A7E0A957D2B46_43380C15471E2F92_6029_UN,OCC1(CCN(CC1)[S](C2=CC=CC3=C2CCN(C)C3)(=O)=O)C4=CC=CC=C4,AHNPQTMRLKUNJV-UHFFFAOYSA-N
-7E5CF3E833C3D0F5_C514C4C6DB35155E_6029_UN,C2CC(=CC1=CC=CC=C1)CCN2[S](C3=C(OC)C=C(C=C3)I)(=O)=O,CWBWRJCSTKZYTL-UHFFFAOYSA-N
-7E78E2D776EFDF4A_82F436E8DD093379_6041_UN,CN1CCC[C@H]1C2=CN=C(C=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,XBISFJUODOFEKQ-DJNXLDHESA-N
-80759A799FDB0EA0_01896EC4629BD425_6029_UN,O=[P]1(CCN(CC1)[S](C2=C(CO)C=CC(=N2)F)(=O)=O)C3=CC=CC=C3,HAMLVLVRAGSORW-UHFFFAOYSA-N
-8229E24A20966CC9_7F8155418BF8490A_6035_UN,O(C(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,WDNUJAOYGZDNSB-UHFFFAOYSA-N
-841E9912CBC4C83B_B8ADB73BE3523638_6029_DP,N1CCN(C(C1)C2=CC(=CC=C2)Cl)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,NKCAAEBKHOTSND-UHFFFAOYSA-N
-84C3ED5294B561FA_2E07EDBFF7DB21DC_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,LWMLQEXQBHBZTI-UHFFFAOYSA-N
-854808BF2D3F2E89_1CF371ADA0F915CE_6041_UN,CCC1=C(C=CC(=C1)NC2CCN(C(CCC)=O)CC2)C,NSHGGAGPLQBHMZ-UHFFFAOYSA-N
-87EC107A73D7DDC9_54074CC4C96F294D_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,LWYQUCANEZMYQT-UHFFFAOYSA-N
-8A3DE24E118D795F_0C5562C866BF5F3B_7022_UN,COC1=CC(=C(C=C1)NC2C3=C(OC2)C=CC=C3)OC,ZBODTVIFDDORHJ-UHFFFAOYSA-N
-8AF8433FC5FFEB5D_D03C2F56D720A030_6026_UN,[S](=O)(=O)(C1=CC=CC=C1)NCCC2=CC(=CC=C2)[S](F)(F)(F)(F)F,DTMASXSELQTPBW-UHFFFAOYSA-N
-8B5170B76C69BBD6_32792C782D195796_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CC(OC3=CC=C(C#N)C=C3)C4,NELDBBVDIPTPNF-UHFFFAOYSA-N
-8B89BBDD70BB230F_308B242BEBBF3A73_7019_UN,C(C1=NN=C2[N]1CCOCC2)=CC3=C(N(C)C)C=CC(=C3)F,TYDKDCUNEOTPCJ-UHFFFAOYSA-N
-8CCDFF00B3A98AC1_9C568CC7A26F5BB2_6041_UN,C1(=CC=C(C=C1)C2OCCO2)N[C@H]3[C@H](OC)COCC3,NCIPMTUVRYHUHQ-ZIAGYGMSSA-N
-8E22EF58755CB240_0EB567B43993690F_6041_UN,C1(=CC=C(C=C1)OC2CC[S](=O)(=O)CC2)NC3=C(CC)C=CC4=C3C=CC=N4,WVXQVUNIGMLEOY-UHFFFAOYSA-N
-8E4AD02E9A8E4E86_BC4B737282273D16_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,LFCLJTBFQGDXTL-UHFFFAOYSA-N
-8F34BFA3F9A45DBC_C18C520E14C93BED_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,MDCZVZXGWTVPKO-UHFFFAOYSA-N
-8FAAD43BEED5F0D3_EABCF3D5E3687DBC_6026_UN,[S](=O)(=O)(C2=C1C=CC=NC1=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,CYJXEMRKCVSWKA-UHFFFAOYSA-N
-8FD69C7D36ADF530_F662AB0F4F13EF23_6035_UN,O(C(CC1=CC=CC=C1)C=C)C2=C(C(=C(C=C2Cl)Cl)Cl)[S](=O)(=O)Cl,IRVJNQIZNPJGFQ-UHFFFAOYSA-N
-90920C95103F8C89_C9951A2174E990AA_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3CCC3)C4=CC=CC=C4,MPOVDTVERGKJQQ-UHFFFAOYSA-N
-91106A57CB3B511C_AA90D2677C713E2D_6041_UN,CN5CCC1=C(C(=NC=N1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4)C5,DGDVACDVXKBLTA-UHFFFAOYSA-N
-94ADBA1EA4BA0BEE_5922FC72335E54CB_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=NC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,CTDHVKHEFYPVBW-UHFFFAOYSA-N
-94D4298713A12D7A_CF5FBA79206CF721_6029_UN,C2CC1=C(C=CC=C1)N2C3CCN(CC3)[S](C4=CC=CC(=C4)P(C)C)(=O)=O,PCHITCFRGUXXNS-UHFFFAOYSA-N
-9523C028BF63EB8F_10AD7209E6F9AF4B_6041_UN,CCC1=C(C=CC(=C1)OC)NC2C3=C(OC2)C=CC=C3,PJMROPTZGOUNRE-UHFFFAOYSA-N
-961D8B630C2BFA10_670ECCC697288494_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,PSRMQULFUDVKTJ-UHFFFAOYSA-N
-96A228F1C0742183_6F1FD35ECAEFF7DC_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NCCC3=CC(=CC=C3)[S](F)(F)(F)(F)F,NTQLOAGPVGBSKO-UHFFFAOYSA-N
-9757ED6B8E03AF98_38CA91C05C567682_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,AUQGCSFHZKHGON-UHFFFAOYSA-N
-97D8DD611FA0BBF9_B48AA8885BF1B80F_6038_UN,O(C1=C(C=CC=C1)CC=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,MQPAJPCHVRLDPQ-UHFFFAOYSA-N
-97DE01E5AF63C682_CFB507DC200157C2_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C3=NC=C[N]3C)C4=CC=CC=C4,IRRDUSYPIBXMGY-UHFFFAOYSA-N
-984D7153960DCA97_C78AC5CBB1D11CF3_6038_UN,O(C1=C(C=CC=C1)N2CCCC2=O)C(C3=CC(=C(C=C3)[N]4C=NN=N4)C)=O,MIYJHKBZYWHISA-UHFFFAOYSA-N
-98A86515CD4F4431_282F52CA93FCC083_6029_DP,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,QCWFTTROHIXSBS-UHFFFAOYSA-N
-99BA9734C64537FB_0C59156F5B2AE0D9_6041_DP,N4CCC1=C(C=C(S1)NC(C)C3=NC2=C(C=CC=C2)[N]3C)C4,CPGUOEPBDSFKOF-UHFFFAOYSA-N
-99FE9116D91AABB7_347C10463DA744F9_2201_UN,CC4CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C4C,OJESXWRJZSOAKV-UHFFFAOYSA-N
-9B8FCE1C79D7E26E_4EC72C96A22BC491_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC4=C(C(OC)=O)C=C3OCOC3=C4,KTBGMIJUHJBTBI-UHFFFAOYSA-N
-9CEB82B614183F11_82E09E8862491D12_6041_UN,CC(C)[N]1C(=NC=C1NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C,LRRSEQKTRVOPKM-UHFFFAOYSA-N
-9E2E99F637AA27FB_7BE38985327744AE_6029_UN,N(C(CC1=CC=CC=C1)CC2=CC=CC=C2)[S](C3=CC=C([S](Cl)(=O)=O)C=C3)(=O)=O,BPPQEJRFYDVFPI-UHFFFAOYSA-N
-9E8B1391DD66B3C7_D659B91081FBB654_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,QSFFSYHBVINSHE-UHFFFAOYSA-N
-A02662E45FCA0BA4_1A21F07498381DC6_6041_UN,CC1=C(C=C(C=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3)CN=C=O,QQLIUYLVNKPIBT-UHFFFAOYSA-N
-A04F85BA10D8AFC0_E8CC0079F493C959_6041_UN,CC1=NC(=NC(=C1)NC2C4=C(OC3(C2)CCOCC3)C=CC=C4)C,YRIUMAMOQBIODJ-UHFFFAOYSA-N
-A20D3F0E9DA1C77D_C57FD4E7C8E4A3C3_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,YKNGFNADDBBZPK-UHFFFAOYSA-N
-A3D7AEA39FFB4765_F1CECA2639957236_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3)C)CC4,OTSJLSLUVDMNLD-UHFFFAOYSA-N
-A49F76F3FE03B806_263697786D890A2E_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)F,WTCARHWWWASMOP-UHFFFAOYSA-N
-A4C9E500260786A1_097D8E2325A94A8F_6041_UN,C1(=NN=C2CCOCC[N]12)NC3=C(C=C(N(C)C)C=C3)C,OHFUYRJFOMNHIX-UHFFFAOYSA-N
-A5121E70E8B5CC8C_3931F1367154A18D_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N4CCC(N3CCCC3)(CC4)C5=CC=CC=C5,MTZDFPHSZQYXMV-UHFFFAOYSA-N
-A5BA85EFBFE4C766_28631F7775FEDF36_6041_UN,CN(C)C1=NC(=CC=N1)NC2C3=C(OC2)C=CC(=C3)F,LCTBNCZKTJXHKE-UHFFFAOYSA-N
-A820614484E85DE4_B255378D287832AA_6038_UN,COCC(NC(=O)C1=COCC1)C2=CC(=CC=C2)OC,JLPBJXABBBMKEF-UHFFFAOYSA-N
-AAC312F6BAA35610_E843384101CDA0BF_6041_UN,C1(=CC2=C(C=C1)CC(=O)CO2)N[C@@H]4C[C@@H](C3=C(OC)C=CC=C3)C4,KSUDJOWIZSXPGM-KOMQPUFPSA-N
-AAF465C4274FD720_4B85B2A15AB4E7AC_6029_UN,OC1=CC=C(C=C1)C2CN(C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,XCTAYPXUFZDJEH-UHFFFAOYSA-N
-AB72596645B1B939_1BB06869D5D225C4_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,LPVNYKHXZXZGRB-UHFFFAOYSA-N
-AC7EDDE63C969B28_DE339D5CC5523F52_6041_UN,CN1CC[N]2N=CC(=C12)NC4=CC=C(C3=NN=C[N]3C)C=C4,LKVWFZQYVLFZKM-UHFFFAOYSA-N
-AD8F25C34C79C85D_5A5E62C8DC534ED3_6041_UN,CCN(C)C1=NC=C(C=C1)NC3C2=CC=CC(=C2OCC3)CC,VTHCUKJVZCWUGU-UHFFFAOYSA-N
-B05301F94B8AC358_2B739A02D47F0BB0_6029_UN,C2CC1=C(C=CC=C1)N(C3=C2C=CC=C3)[S](C4=C(F)C=CC=C4C5CC5)(=O)=O,JLXZFDKCPPSHEA-UHFFFAOYSA-N
-B3516F985545B4E7_A385A1862EB76FB5_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)Br)[S](=O)(=O)F,JLOFJTRYMQLLRD-UHFFFAOYSA-N
-B5876D08FB02F3CA_9AF5FC4E76D6B580_6028_UN,N(CCC1=CC=C(C=C1)N2CCCCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,IABCEHULGLSCDS-UHFFFAOYSA-N
-B5E25C7370023FDD_56A6620312D18AB0_6029_UN,C1CCC4=C(N(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C=CC=C4,XKZQKLUEWAGHRB-UHFFFAOYSA-N
-BB5A2914E613972C_46D2A7775C70E160_6026_UN,FC1=CC2=C(C=C1)N=CC(=C2)[S](=O)(=O)N4CCN(C3=C(C=CC(=C3)C)C)CC4,JYNPJXBCSINHCC-UHFFFAOYSA-N
-BC15F92F879608E2_0468BBCCBE905196_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3=O)NCC4=CC=C([Si](C)(C)C)C=C4,JNXNXCDFEPIFQQ-UHFFFAOYSA-N
-BC3FFB1E2540ADCA_1D3550DC30F1E0D4_6041_UN,CN1CCC[C@H]1C2=C(N=CC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,RDTFTRIBDRWRFX-DJNXLDHESA-N
-BD1D9A6F48FC2992_94F26BA2F58E531E_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2C)O,SPEDVVCJGYSICD-UHFFFAOYSA-N
-BE0CD3FA7082A1E1_2CE212850987E9AF_7019_UN,C(CC1CCCC(=O)O1)=CC3=NC2=C(C=C(C)C=C2)C=C3,GRFNEJASXHFUFG-UHFFFAOYSA-N
-BF0B982A17480E7A_3AB56DC7830E694E_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,BHEFKFVZIMXWNY-UHFFFAOYSA-N
-BF9ED0FDEC05397A_F1F94E36D149F451_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3CCOC4=C3C=C(SC)C=C4,MCIBWZMXZVAOBE-UHFFFAOYSA-N
-C0518457FF515093_CC696B6CF2CB967D_7013_DP,[NH]2C1=CC4=C(C=C1N=C2C3=C(C(C)C)C=N[N]3C)OCO4,ZECAPAKRSRMMNH-UHFFFAOYSA-N
-C272BC927CB63AAA_34BFB39EB9936916_6041_UN,CC1=NC4=C(C(=N1)NC2=CC=CC(=C2)N(C)C)C3=C(CCC3)S4,CZMHDZJEKUFZRJ-UHFFFAOYSA-N
-C2E301A57637EACA_58E72C247800BE33_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C)C=C(C=C2C)F)=O,RNDWMXZLOJTLJQ-UHFFFAOYSA-N
-C6050EE089FB8E0C_07B6909B63D547F2_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(CC)C=C3)(=O)=O,LIAPHSBKVAAOLX-UHFFFAOYSA-N
-C6338A85A8222FDA_452DB8CF3AADF4D9_6029_UN,N(C(CC1=CC=CC=C1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,PHOAZUVHLOQUBS-UHFFFAOYSA-N
-C7109E350968D2D6_01D95AF4CBA06526_6041_DP,N2CC[N]1C(=CN=C1C2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,GFBMMMJYJBHYOL-UHFFFAOYSA-N
-CAE0D222595E5ED9_1F4A256657BB8DD3_6029_UN,N(C(CC1=CC=CC=C1)CC2=CC=CC=C2)[S](C3=CC=C([S](F)(=O)=O)C=C3)(=O)=O,ATXQVKVXCDVBIY-UHFFFAOYSA-N
-CC24937EB2949E64_F4B2A851A827C713_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC(=C(C=C3)[N]4C=NN=N4)C)=O,MBLSUGOCYVFJFZ-UHFFFAOYSA-N
-CC31B8ED49F6FBA5_B5D24CB20A5226A6_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@@H]([C@H](CC)C)C(=O)N(C)C,QOAUKJVUXIWKKE-JQWIXIFHSA-N
-CCF437F27AA9B78C_B13936E69BADB9E7_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,RORUUELXIOQHKY-UHFFFAOYSA-N
-CD14CD10ABCFD927_82467BAF6F5ED472_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NCC4=C(C[S](C)(=O)=O)C=CC=C4,GKTAYRWYQNRLJD-UHFFFAOYSA-N
-CD2F5D4E0DD8FD45_97A98F1A5A62BCA0_6041_UN,C[N]1C=CN=C1C2=CC=C(C=C2)NC3COC4=C3C=C(C)C=C4,VATVTOMDFLATTG-UHFFFAOYSA-N
-CD40F11E85EB9C5F_C048F9286F5595C0_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,ARJUWAWTHFNGQD-UHFFFAOYSA-N
-CDD00D5DC5C642F2_3F5A4C828AD438BE_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)C#N)N3CCCC3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,BTPZIWVAIVXGJA-UHFFFAOYSA-N
-CE47FAA4A45EAE6A_A39F8C1EDB39B6AC_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3)C)CC4,HLRJKZMCZYJUFP-UHFFFAOYSA-N
-CF020974F58977CA_C4F5538930D64EC8_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,IETKQYMYPCUSFU-HDJSIYSDSA-N
-CFC89A3510B49257_DB66791E2B633AC6_6003_UN,CC1=C(C=C(C=C1)N3CCC(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CC3)C,QDMHKYFHONMXAX-UHFFFAOYSA-N
-CFE02286AB43EF18_D8D3066099429C34_6041_UN,CCC1=C(C=CC(=C1)OC)N[C@@H]2C3=C(OCC2)C=CC=C3,VTKDGCRVTZSUOB-KRWDZBQOSA-N
-D053A307D8AB0FAD_D73F3353CEDE2122_6029_UN,ClC1=CC2=C(C=C1)OCCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,JQISWCDHKMCJRF-UHFFFAOYSA-N
-D28439F263670CD7_52C16C5FE8C20BB5_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC(=NS3)C4=CC=CC=C4)(=O)=O,ICNHDXWOTUUDFS-UHFFFAOYSA-N
-D28439F263670CD7_CFC3DC29905674F0_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC(=NS3)C4=CC=CC=C4)(=O)=O,ICNHDXWOTUUDFS-UHFFFAOYSA-N
-D2B5AA0A99BD017C_AC0B0EA6FD9A7576_6041_UN,C2(=NN=C1C3=C(OCC1=C2)C=CC=C3)NC4=C(C=C(N(C)C)C=C4C)C,UDNMJGARWSZHLC-UHFFFAOYSA-N
-DAB38B49657DBC17_0A0AD625DBA43A41_6041_UN,O=[N](=O)C1=NC(=CC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,FVTXCCHMXCMOMA-AWEZNQCLSA-N
-DE87F54D9B3B0D05_86395D47A34F59A6_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=CC(=C3)OC)F)(=O)=O,ICQUWOHLIZVKPJ-UHFFFAOYSA-N
-DEB99ACF72B4058B_152824B1257C6FB6_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(SC)C=CC=C3)(=O)=O,APRDGRADGQDHGT-UHFFFAOYSA-N
-E04C8BA4A38D9BDB_8893A9CE11DE9B14_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O,MNYQUKSMTFSVQS-UHFFFAOYSA-N
-E213B8805640B39B_365D9A3B8A4D5ED4_7022_UN,COC1=CC(=C(C=C1)OC)NC2COC3=C2C=C(C)C=C3,KIPPKCFRCDKZJV-UHFFFAOYSA-N
-E3355BBBB4E8E928_6AF2BF8C9260FECB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[N](C)N=C3Br,SCEJGYHRDMGTBK-UHFFFAOYSA-N
-E448190A061C1442_67FFB8CE606CD6B4_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2=CC(=C(C(=C2)F)N3CCOCC3)F)C=CC=C4,UXQJWTIAAVUTFZ-UHFFFAOYSA-N
-E4FBCDE60EAD9B61_1229BFD9132839E2_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)Br)[S](=O)(=O)Cl,JZLUXOHOXQMNGZ-UHFFFAOYSA-N
-E57453ED1D53FAF5_2372EE84667C4C77_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,PCJGSPMVJBEJNM-UHFFFAOYSA-N
-E79F9F60A36B5580_C36674A9C4A8C6BC_6029_DP,FC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,GGADMYSICXFYDB-UHFFFAOYSA-N
-E7B4EE9491D636FE_63E8223048884EAE_6041_UN,C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,BFWRBVCFBKYCIE-KRWDZBQOSA-N
-EAC787FD4E517432_3CF552D44ED76994_6041_UN,FC1=C(C=CC(=C1)NC3=C(N2CCN(C)CC2)C=CC(=C3)F)N4CCC[S]4(=O)=O,MFIUBWABMJTOOV-UHFFFAOYSA-N
-EAFC5439EFB7E1D4_BD7534D1E14989DD_6041_UN,FC1=C(C2=C(C=C1)C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4)F,BIUGFRBZQWXIOR-UHFFFAOYSA-N
-EB36D5A282D83CFF_756EBA110354A5AE_6041_UN,C1(=CC=C(C=C1)C2CCCC(=O)C2)NC4CCN(C3=CC=C(CC)C=C3)CC4,QZLNHSQWFWWTFG-UHFFFAOYSA-N
-EB6F0E295CF03AD4_9258FBBF92029BBF_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3(CN(C(OC)=O)C3)C,LTYDNARGUSHMNR-UHFFFAOYSA-N
-EBD8A24D06154E4C_F0FBF01B63349739_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O)C5=CC=CC=C5,BMEFQRYYZNTJPW-UHFFFAOYSA-N
-EC37CE9E39A96205_1AEF6ABBE19795A5_2201_UN,CC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34,QAWVKENKMGPQSP-UHFFFAOYSA-N
-EC3FF9AD841913CA_B19FC1C115FD7461_6038_UN,N(C2=C1N=CC=NC1=CC=C2)C([C@@H]3[C@H](CN(C)C3)C4=CC=CC=C4)=O,LGSMRFPTQPAQEI-CVEARBPZSA-N
-ECA9F2EFAEF9DF59_E240085AB4ABD7A8_6041_UN,FC1=C(C=CC(=C1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C)N4CCC[S]4(=O)=O,JMEBLQNAXGANLU-UHFFFAOYSA-N
-ED2933A2AF298096_5910BD07B8438615_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[N](C)N=C3I,WMCSZYHRQHAEJR-UHFFFAOYSA-N
-EDCA4F8C2425181D_34CBEDA8EB9E686B_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N(C3=CC=C(F)C=C3)C4CCCC4,PJVPXBWMBWBKIR-UHFFFAOYSA-N
-EDDDE4F8D898D1AB_4175847F247900ED_6038_UN,N(CC1=C[N](=CC=C1)=O)C(C[N]2C=C(C(N(C)C)=O)N=N2)=O,RTTOZWOVTXKLNQ-UHFFFAOYSA-N
-EDF2FF3596F72BD8_A3A6D2EB08952FDF_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3C4=C(OCCC3)C=C(C=C4)F,QHSNWEADXDNJHM-UHFFFAOYSA-N
-EFEC144060EE77F9_D6AA9F21411D3CFF_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C[N]2N=NN=C2C(C)C)=O,PHDLBFNDBAKLKF-UHFFFAOYSA-N
-EFFB35384AA9E2E9_BF38000FC1B133B8_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,MIYXWBOLTNCBJT-UHFFFAOYSA-N
-EFFE274FBB17E68B_EDBC30E27A37B883_6041_UN,CC(C)C1=NN=C(O1)NCC2=CC(=C(N(C)C)C=C2)F,NGPOPTADORRISP-UHFFFAOYSA-N
-F03A31730A0B1277_7C725C2BEE28D621_6029_UN,FC1=C(C(=CC=C1)F)N2CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,DIUQPANXHUCWRA-UHFFFAOYSA-N
-F28161C5191FA65B_9B05CC500F8D19A2_6035_UN,O(C1(CCNCCC1)C2=CC=CC=C2)C3=C(C[S](C)(=O)=O)C=CC=C3,SCBIYFSBQSZLNM-UHFFFAOYSA-N
-F35AF87B005CE495_A4C89E26988F96A9_2201_UN,CC(C)C5=C4OCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4=CC=C5,QEFHOPKVATYXMW-UHFFFAOYSA-N
-F44F7456A5AC3A6D_9A0060DBD9FDE074_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)N=CC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,YHGWWXOYSGWAAY-UHFFFAOYSA-N
-F53C2899240FB77D_81D8872290841E01_6041_UN,C1(=NC3=C(C(=N1)N2CCOCC2)C=CS3)NC4=C(C=C(N(C)C)C=C4)C,FBVRXFMIOSVJGU-UHFFFAOYSA-N
-F62EFF369AE79058_0870D9C0F5484EA5_6041_UN,C2(=C1OCOC1=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,ZNRHXMGKPSYQGI-DGCLKSJQSA-N
-F62EFF369AE79058_5B232FEC9810E736_6041_UN,C2(=C1OCOC1=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,ZNRHXMGKPSYQGI-DGCLKSJQSA-N
-F659FD4B9CA3217A_98FFC75AC03821D9_6026_UN,[S](=O)(=O)(C1=C2C(=CC=C1)C=NC=C2)N4CC5=C(C3(CCN(C)CC3)C4)C=CC=C5,KLHFVBAUZLFVSB-UHFFFAOYSA-N
-F75C924986A63468_883DA6A5F00098B2_7017_UN,N4([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)C3(CCN(C)CC3)CNCC4,UOOYXOCLLFZGBL-UHFFFAOYSA-N
-F87E1FA6A8B145C1_98B89C0D80D856E8_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,SJIAFLRRDWEQPT-UHFFFAOYSA-N
-F8A2CFD39E502A51_69B87B46E2B545B0_7013_DP,[NH]2C1=CC6=C(C=C1N=C2C4=CC(=C3OCOC3=C4)C5=C(C)[N](N=C5)C)OCO6,KRMVOVDZQLZTCZ-UHFFFAOYSA-N
-F9B5AA0FBED71601_80A4580BD318EC62_6035_UN,CN2CCC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(CC2)C3=CC=CC=C3,JLEIJTUQTVRSJV-UHFFFAOYSA-N
-FB7B3307217CE08D_078713C93E6D2762_6028_UN,ClC1=CC5=C(C=C1)[C](=[C]2CC[N](CC2)[S](C3=[N](=O)C=CC=C3)(=O)=O)C4=C(C=CC=N4)CC5,WHJLLTQAIKFWQN-UHFFFAOYSA-N
-rxn:2:140326:166005,Cc1cc(N2CCCN(C)CC2)ccc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,PCOFTHVSAVULIS-UHFFFAOYSA-N
-0063E112D9603B81_CE814EFA0C29DB6C_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N[S](=O)(=O)C3=CC=C(C=C3)[N]4C=CC=C4,QTYQDLFPPFHWSV-UHFFFAOYSA-N
-00F9A11BCB6C3EDF_E54EBEDC6D624098_6035_UN,CC1=CC(=C(C=C1)N3CCC(OC2=NC=CC(=C2)[S](=O)(=O)F)CC3)C,URBCTSNHIKXYRE-UHFFFAOYSA-N
-03D01021AAA658BF_9791BB51AAE02339_6029_UN,N(CC=CC1=CN=CC=C1)[S](C2=CC=CC(=C2)[C@H](C)O)(=O)=O,HKVAOUPFKREXCC-ZDUSSCGKSA-N
-0449E5DFCFE0D802_D97470004FBEC16F_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,MTTQWJFMTJCOFT-UHFFFAOYSA-N
-0501B592A92B4345_1B0F7343310836C6_6026_UN,FC(F)C1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,POUXPGNZODELHU-UHFFFAOYSA-N
-0696909D266962EA_0B3E3DEAC12D9409_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Br,KWCOWQJNCYBBDY-UHFFFAOYSA-N
-0755B81087F8A00A_E7DBE58E1D5AEFF8_6038_UN,N[S](=O)(=O)CC1=C(C=CC=C1)OC(=O)C2=NNC(=O)CC2,ODZFLKARLQWFTM-UHFFFAOYSA-N
-091CB91EEB2A1517_D5AEAA68D36B22C5_6041_UN,CC1=C(C=NC(=C1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,IVKVLWUKWVSIPL-UHFFFAOYSA-N
-09F8F5054A6B8E28_92160C72AF7E3387_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NC=CC=C3,QRORSVIVHUKYFI-UHFFFAOYSA-N
-0A462C5577AE535B_4519E8ABD00B8E1C_6029_UN,CC1N(CCC2=C1C=CC=C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,HLAXZTLXOFXLQR-UHFFFAOYSA-N
-0E54274F511E2388_7FD7656B1DFE3978_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC=CC(=C3)[C@H](O)CF)(=O)=O,FFTPJCRBJNURDZ-CQSZACIVSA-N
-0FC4A9D5C3AF7C2F_BE8929BA48ACBAE0_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=C(C=C(OC)C=C3)C)(=O)=O,SPWRNTKERRCQIC-KDYLLFBJSA-N
-110DE66A1BC4E259_4F1E5114E51027D4_6029_UN,CC2=CC[C@H](N[S](C1=C(CCC)C=CC=C1)(=O)=O)CC2,SEKGYLHXPXHJHK-HNNXBMFYSA-N
-116DC2648F6EDDF4_F9D8CDDB1D46A904_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)F)C(=O)C2=CC=CN3C2=NCC3,QSHCNZWNEMVWKX-UHFFFAOYSA-N
-11B264F05E720589_18FA483104B659CD_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3C2=C(C=C(OC(C)C)C=C2)CCC3)F,IQMNFMALFAQVEF-UHFFFAOYSA-N
-11B83115D3CEEED5_CF4B4CD12885AFFC_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,GRRXXBGLUPYAEI-UHFFFAOYSA-N
-13BA66A6E84B83E7_1D08718B5AC4B122_6041_UN,CC1=C(C=CC(=C1)NC3CCN(C2=C(CC)C=CC=C2)CC3)N4CCCC4=O,BKECSHRDPNMURQ-UHFFFAOYSA-N
-14139962E024CB6F_B4CFA1EB4720EFD1_6041_UN,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC(CCC)C2=NN=N[NH]2,HIWIWHQDMBVZKR-UHFFFAOYSA-N
-1464FC8E824C61A3_9FB1AF1972FA2FCF_6041_DP,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](C(OC)=O)CC(=O)O,UYJUWVQHUACVLT-NSHDSACASA-N
-14FB10B68733AF08_69AE21DC72E726DB_6028_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,YPMPKPUXEDWDLW-WCBMZHEXSA-N
-1577FB4404C348BE_7123E299EE854EAE_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,COSAFCLPKOBOBM-UHFFFAOYSA-N
-15EA4CC5EB1A9610_4479A5CD17668C59_6029_UN,C=C1CN(C1)[S](C2=C(CC(CC)N=C=O)C=CC=C2)(=O)=O,DAHDELFXVSAZRW-UHFFFAOYSA-N
-16C160D455062C12_2FBE919C29ACCF07_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3)Br,LTEUNBKXOUDURO-UHFFFAOYSA-N
-19C8E56859182389_BCCD76108A4F63CA_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3(CN(C(OC)=O)C3)C,NNZVXSMLPQMGBH-UHFFFAOYSA-N
-19F0C495264FA470_437C015C1C84DBBC_6038_DP,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=C(O)C=CC=C3)=O,CVXCUCVVZYRJSQ-UHFFFAOYSA-N
-1A84A19493BACE75_0207FBC4CC5D5C15_6028_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(OC)C=CC=C3Br)(=O)=O,NVYNVFQFAHZBMB-HOCLYGCPSA-N
-1AA1B45276D5E763_DFE3DE7B02130F85_6029_UN,N(CC[C@H](O)C1=CC=CC=C1)[S](C2=CC=CC(=C2)OC)(=O)=O,WTNMBSAMYQGUAA-INIZCTEOSA-N
-1C4633EAAA384095_2963CD60AEA09564_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)N[C@H]2C3=C(CC2)C=CC=C3,BYADJVJNEVLUJH-OAHLLOKOSA-N
-1C99FC77C3EF0682_129FA8249E464395_6029_UN,C1CN(CCN1[S](C2=CC=CC(=N2)C(F)F)(=O)=O)C3=CC=CS3,DVOQDQNGQCSUCA-UHFFFAOYSA-N
-1D890339A0A4EEA2_A33026E6533C65F7_6006_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)C5=C4[N](CCNC4)N=C5,XOMPZEXRQPZHMP-UHFFFAOYSA-N
-1DF3EF384FA4DA9D_608E344CB1C6C613_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C[C@@H](C(OC)=O)N,QBFIHLDWKDZUTF-NSHDSACASA-N
-1EB2E0349322DD26_FDE8CE110D375FAF_6041_UN,C1(=CC=C(C=C1)N2CCCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,SHNXKJIXMNCFCM-UHFFFAOYSA-N
-1F806315B79DEA5C_0453ADCFB8683785_6041_UN,C2(=C1OCCC1=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,WVONSFARLOOAII-UKRRQHHQSA-N
-1F806315B79DEA5C_9F6FED1CBBC6278A_7022_UN,C2(=C1OCCC1=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,WVONSFARLOOAII-UKRRQHHQSA-N
-1FDD71E996E0973C_F2EBD1D896BF98E4_6034_UN,COC1=CC(=CC=C1)C2=CN(C=N2)C3=CC=CC=CC3=O,XUWFEIQVRVOIPP-UHFFFAOYSA-N
-2207355E361D52F2_B3705D7C15C90EA1_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C=C(C)C)=O,AZUQGJTZPJDUQF-UHFFFAOYSA-N
-2332E218284FE356_112A60F4701B445F_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,BCHRNWHXRJYREB-UHFFFAOYSA-N
-239331A2F698181E_BCB7F7C1C313D6BB_6029_DP,N1N(CC=CC1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O,XKGPSADWMKCEES-UHFFFAOYSA-N
-244191EDC0C5060E_62A14132E162E56A_6038_DP,C[C@@H](O)[C@H](NC(=O)C1=CC=C(O1)C2=CC=CO2)C(=O)O,QTBVRQRUGSLNOX-HQJQHLMTSA-N
-247606B7F2094E41_6682EB8BC00050C5_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=C(OC(F)F)C=C3)F)(=O)=O,HVLKPSGJDZSHPQ-UHFFFAOYSA-N
-24F8E7E6EEC1FC95_4A7A34225CAD8B89_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(NC)CC(C)(C)C)=O,QTPIBWWIPWJHIE-UHFFFAOYSA-N
-254D5AA22A3F1908_4495B14E69BE8D2F_6041_UN,CC2=N[N]1C=C(C=CC1=N2)NC4=C(C(C)=O)C=C3OCOC3=C4,ZXEWVJGXPJLBAR-UHFFFAOYSA-N
-27F4B2B056236026_BB3D467EE046915F_6041_UN,CC1=C(N=CC(=C1)NC3C2=CC=CC(=C2OCC3)C)[S](=O)O,IGPZNVYPRUYXBB-UHFFFAOYSA-N
-287B664AEE391A5E_D3F4B551B5DE1898_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,OAFTXKMWVWBDSG-ZDUSSCGKSA-N
-2987925D32ED48EA_173FB759050BE256_6009_UN,CN1C(=O)C=C(C1=O)CCC(=O)NC(=O)NCC2=CC=CC=C2,MXNGNQGIWMYHNG-UHFFFAOYSA-N
-29A5857A83F2B0F3_7815454683A2A66B_6026_UN,CC1=C(C(=C(C(=C1)Cl)C)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3)Cl,CXLCXRJBEYHJID-UHFFFAOYSA-N
-29C36454CE72C900_62698C065178DC4F_6029_UN,CC3=CC[C@H](N[S](C1=CC=C(C=C1)OC2=CC=CC=C2)(=O)=O)CC3,SKUKKDFIDYWSKR-INIZCTEOSA-N
-2A2AA78C394E3C96_AFB13506B2B4464E_6029_UN,C1CN(CCN1[S](C3=C2CCCC2=C(Cl)C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,HJBIURBGDZNXCW-UHFFFAOYSA-N
-2BDEE659EAD0F35B_902983A816FF1D58_6038_UN,N(C1=CC(=O)NC(=O)C1)C(C2=NC=CC(=C2)N=[S](C)(=O)C)=O,NVFXFQSGUBRULF-UHFFFAOYSA-N
-2DE3DBC6F9AE9A94_2498899D9083DD5E_6026_UN,CC(C)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3)Br,XBYOITCOWDJQBC-UHFFFAOYSA-N
-2E5872B8CD63A82C_301F26CC3BEFEE7F_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCCC(C)=O,RTQZUSRLQJQXCX-UHFFFAOYSA-N
-2EC0CCD36618DFF3_A7ABDC857C1C1B82_6031_UN,O(C(=O)C2=C(C=C1N=N[NH]C1=C2)F)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,OTSWJPSFHHHXSZ-UHFFFAOYSA-N
-305494F86AB245E0_E588533C836FAE21_6041_DP,C1(=CC(=CC=C1)CN=C=O)NCCCCC(C(NN)=O)(C)C,SDYKYCUNBYBDSV-UHFFFAOYSA-N
-311633C5E7F28B63_72ECE5D8C9547015_6038_DP,C[C@H](O)[C@@H](NC(=O)C1=CC=C(O1)C2=CC=CO2)C(=O)O,QTBVRQRUGSLNOX-WRWORJQWSA-N
-326C95FFDF1E3E0E_DD6A74DB5C43CBF0_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,AEFPXUVNWSJTNT-HOMQSWHASA-N
-3283BFF29C28FC2D_6E9D2A9B7868B9BD_6029_UN,C1CN(CCN1[S](C2=CC(=CN=C2)I)(=O)=O)C3=NC(=CS3)C4=CC=CS4,ILFUFOJYWOPQIC-UHFFFAOYSA-N
-32BAC45E5C29383A_8D63DF1CE1500487_6041_UN,CC1=C(C=NC(=C1)NC3C2=CC=CC(=C2OCC3)C)[S](=O)O,KKOFUXKMCFKFBB-UHFFFAOYSA-N
-3326953997074A0A_961D818AAFAB4DDF_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=NC=CC=C3,RCTWMSWJGLWJSG-UHFFFAOYSA-N
-356D2C60719FCA2B_0264567FC8A21FED_6041_UN,CC1=C(C2=C(C=C1)OCCC2=O)NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,LKVPMBVPVUGLGX-UHFFFAOYSA-N
-358C1DBB11BBB53D_2A00E486D3B5EDCC_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=CC(=C(F)C=C3F)F)(=O)=O,LVRXSVIAGONXPQ-MEBBXXQBSA-N
-36BE77768B6D271D_48045A10B82E710B_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,ZHYOGSVMBOUUBG-UHFFFAOYSA-N
-37B949EAA22C7C08_80532AD591774346_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=CN=C(N2N=C(C)CC2=O)C=C3,ZPTYSURIZYZODV-UHFFFAOYSA-N
-385E8BF33D6034C6_EFD719A6746474B1_6029_UN,C1C=C(CN1[S](C2=CC(=CS2)C(F)F)(=O)=O)C3=CN=CC=C3,OKLNTTWHISDWQA-UHFFFAOYSA-N
-38B8377BA1863656_E0CD4871A165AF53_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)I,SPSWKPLTNKLSFA-UHFFFAOYSA-N
-391406A43900B23E_67A51D8B04DAE215_6035_UN,CC1=CC(=C(C=C1)N3CCC(OC2=CN=C(C=C2)[S](=O)(=O)F)CC3)C,HXGLURUHMGGAGT-UHFFFAOYSA-N
-395756BF96DAF74F_264C704D1CFD3BD2_6041_UN,CC(C)C1=C(C2=C(N=C1C)C=CC=C2)NC4C[C@@H]3OC(O[C@@H]3C4)=O,MBQSDKDQECDBLG-SFESLNEESA-N
-39EC0302FEF1C4FA_69839610B3EE503F_6035_UN,O(C1CCN(CC1)C2=NC=C(C=C2)Cl)C3=C(C=C(C)C=C3)[S](=O)(=O)O,IZJHKXIPDJCSEO-UHFFFAOYSA-N
-3A88FA96E9A1CA8A_A2BFACA112AA7DDB_6041_UN,C1(=CC=C(C=C1)N2CCC2=O)NC3=CC=C(CC[Si](C)(C)C)C=C3,RBUJLTDROGWITH-UHFFFAOYSA-N
-3B148D74B7D7D3BB_C1F5BCA8DB1E249A_6041_UN,CC1=NC(=C(C=C1)C)NC4C3=CC=C2C=CC=CC2=C3OCCC4,FHYAINPYSJNDBL-UHFFFAOYSA-N
-3CF64BD41FAA4880_DE321F97283EF387_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC=C(OCCOC)C=C2,WIEQEDJQGZANDF-UHFFFAOYSA-N
-3D0BD201BB03BCCA_FDE2585C98BD1DD0_6038_UN,COC2COC1=C(C=CC=C1)C2NC(=O)C3=CN=C(C=C3)C4=NN=N[NH]4,SGBFCQOZKUDDHS-UHFFFAOYSA-N
-40794BEEA9EF315D_F357B1D22A407AAA_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)Cl)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,IDRRVQULFYIWSR-MJHDQNEOSA-N
-40C9B67C8C91CBF6_479C56C2C81D3571_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(OC)C=C3)(=O)=O,FDUZAUYLCFIQKZ-UHFFFAOYSA-N
-410D97ACF957D546_1F1D126CD06B8F04_6029_UN,CC3=CC[C@H](N[S](C2=CC=C(C1=C(F)C=CC=C1)C=C2)(=O)=O)CC3,QXFXNWXRXXYDST-INIZCTEOSA-N
-4265BF504F6E57AC_F6057727D751C88D_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCC(CCC)C,CIWXIZRMEWSTTM-UHFFFAOYSA-N
-42CAFF43AAE09542_0814FABFA4CE882D_6036_UN,C(C(F)Br)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,OKTCKXLGNOOCDH-UHFFFAOYSA-N
-42D0075A9C848C9E_55827305A5161AF3_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(CN4CCN(C3=CC=CC(=C3)C)CC4)(C)C,JHMIUWMONKXYTR-UHFFFAOYSA-N
-42F762D50E5446D6_C10CCB22B95311B5_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=CC=C3)(=O)=O,LSLLOFONBCNILJ-UHFFFAOYSA-N
-437DCED75B1E1A47_F668C9419D692340_6029_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=C(F)C=CC(=C3)C#C)(=O)=O,RYDWKZICWVLMBW-DOTOQJQBSA-N
-43991EDC1D926A33_54BAEFF4A1ECF6C2_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,WPWARCKAVZPDPK-UHFFFAOYSA-N
-43E03D871AB3FF02_B5FDF39D862A5E3D_6038_UN,CCOC(=O)C(NC(CC(C1=C(C=C(OC)C=C1)OC)C)=O)C2=NN=N[NH]2,XPLXMFQCQZQBCZ-UHFFFAOYSA-N
-44C35D07567406C3_2F793464A1ADE21F_7015_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)CC)(=O)=O)C,HQDFMIFSWLISMK-UHFFFAOYSA-N
-4655A45ADE6C3632_3C97C1D1088BCF00_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3C2=CC=CC(=C2OCC3)OC,SBEBNSBNCWSTGM-UHFFFAOYSA-N
-473949CBDA9A6E40_7A7FF51303026280_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](CC)(=O)=O)CC3)C,UJLSYLVWKKUWFZ-UHFFFAOYSA-N
-483BD953F8E301DE_F5CA684D52E086C5_6029_UN,F[C@@H]1CN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,NYIBSUJNNFROBK-ZDUSSCGKSA-N
-48FE3BD91ACF00E7_A561E20AC9FF782E_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NC(C)C2CCC(F)(F)CC2,CBYKIJWIVBXCKX-UHFFFAOYSA-N
-4A6D2E709C1589A3_8654A257BD013276_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=C(C=C2)C,CHWGQTVZOQFBGZ-UHFFFAOYSA-N
-4A842B5ABDBBFCF1_4E339151FC656056_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C[N]2C(=NC3=C2C=CC=C3)C4CCCCC4,GUNMWJRTNAMDNZ-UHFFFAOYSA-N
-4B3E2CA7BD4745EE_1029A4C05BCCE021_6028_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(OC)C=CC=C3)(=O)=O,GOHCSSAVDAOQIS-HOTGVXAUSA-N
-4B4339A0DB517980_84CFCECA50FFE602_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(=O)[C@@H]4C[C@@H]4C#C,LTTMNKINUODKBN-DZGCQCFKSA-N
-4BCBAEAC64AF1E85_AB14BE3FA3B54886_6029_UN,CC1=CCN(CC1)[S](C2=C(C=CC(=C2)OCC)Cl)(=O)=O,DIFAJMBQLWRBFN-UHFFFAOYSA-N
-4EECCCB01C1EBE73_88700484376DE502_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(OC)C=C3)(=O)=O,NXIXNQFINKIJMQ-UHFFFAOYSA-N
-4FEBB649EE8CA8EF_72CBE970A9AED0AE_6041_UN,COC(=O)C#CC1=CC(=CC=C1)NC(COC)C2=NN=N[NH]2,JRJPKSBDWPBYDK-UHFFFAOYSA-N
-5009E421EB62F363_DAE87D53164EC07F_6031_UN,CC1=NOC2=C1C(=CC(=N2)C3=C(C=C(C=C3)C)C)C(=O)OCC[Si](C)(C)C,MSZNHSGJEJEAPA-UHFFFAOYSA-N
-50B73C2AE3AAA5F4_2001A262436A102C_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,KKVFJIBPKXIABW-UHFFFAOYSA-N
-51B54D3DCC757F82_7C8207F365705A1B_6041_UN,CC1=C(N=C(N=C1)N[C@@H]2CCOC3=C2C=C(C)C=C3C)[S](=O)(=O)C,OTFXGAYZTDKYJY-CQSZACIVSA-N
-530680E700C7A91D_6F5BD0B34F928D9D_7022_UN,C1(=CC=C(C=C1)C2CCC2)NC3=C(OC)C=CC(=C3)C[S](=O)(=O)C,LCASPQFGEARXAB-UHFFFAOYSA-N
-545DAA8BE638188C_861203DA937F1108_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC(=CC(=C4)C(N(C)C)=O)C,OSAYVWQEFOTKAJ-UHFFFAOYSA-N
-551EA75148B0736A_E6917FEA7914D11C_6029_UN,C1C=C(CN1[S](C2=CC(=CS2)C(F)F)(=O)=O)C3=NC=CC=C3,QYELJBVGPRUWJN-UHFFFAOYSA-N
-556F1AC78454DC98_C4A99B968E73A4EA_6028_UN,COC1=CC(=CC=C1)CCN[S](C2=CC(=CC=C2)Cl)(=O)=O,ZVWGTWFWOZAMFJ-UHFFFAOYSA-N
-579084EDD6C31F7C_B04DE61E1545C1BC_6038_UN,CCOC(=O)C(NC(C1=CC(=C(OCC(OC)=O)C=C1)OC)=O)C2=NN=N[NH]2,WWGSPFIZEXQZCJ-UHFFFAOYSA-N
-57CAC177D8CAB4F2_801AFABDBAFFC8A4_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(F)C=C3)(=O)=O)C4=CSC=C4,AYQMSAPJDWTHOE-UHFFFAOYSA-N
-593E286B45D43E6D_7AC9E7EA44806509_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)F)C(=O)C2=CC=CN3C2=NCC3,IOXVUXJWEOOZKE-UHFFFAOYSA-N
-59FF01D138289E23_D99B8DA2BCA04374_6038_UN,CC1=CC(=CC(=C1)OC(C3=CC(=C(N2CCN(C)CC2)C=C3)[N](=O)=O)=O)N4CCCC4=O,MYRCYGWJLXNYID-UHFFFAOYSA-N
-5A599A12E95F4A55_7CACB72344DF6D8F_6038_UN,O(C1=CC=CC=CC1=O)C(C(OC)C2=CC(=CC=C2)OC)=O,BIAPWJDOPOYLNJ-UHFFFAOYSA-N
-5CA651A7911413A7_53B876CCF9D94725_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)F)[S](C3=C(C=C(F)C=C3F)Cl)(=O)=O,FPMAXFOHDVDNCR-MJHDQNEOSA-N
-5D9526A653832B47_FFB7234679D1692D_6028_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)OC)(=O)=O,DPJIQRHDUXJPIS-RHSMWYFYSA-N
-5DB108AEEC5DF9C8_94986BAA89B9E40C_6029_UN,CC1=CCCN(C1)[S](C2=C(C=C(OCCC)C=C2)Cl)(=O)=O,GVQFECUFSIFAJR-UHFFFAOYSA-N
-5F096E1CD6208354_F3CE6EB3CDA343A4_6026_UN,FC(F)C1=CC(=NC=C1)[S](=O)(=O)N2C3=C(CCCC2)N=CC=C3,JPNOXBUEABFMTP-UHFFFAOYSA-N
-5F38792480D9C31E_A37F36E30D19F125_6035_UN,C[C@@]2(OC1=C(OC)C=C(C=C1)Cl)C[C@H]2C3=CC=CC=C3,WZXOHAJXCZIHSX-WMLDXEAASA-N
-624487004D90E5BF_5BB09E8FA9824D84_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NN=C([N]2CC(C)C)C3=CC=CO3)(=O)=O,YYMMNQYPFORSND-UHFFFAOYSA-N
-624BB3FF11A7037D_B34114EA75EBC340_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(C=C(Cl)C=C3)C=C)(=O)=O,UANQNINMXIOBFH-BLLLJJGKSA-N
-6273EB36BF4C4147_BFEFE4BF9C154C9B_6004_UN,O=[N]1=CC=C(C=C1)C2=CC=CC(=C2)[N]3N=C(C)C=C3C,UJKYRDQHHYWDFT-UHFFFAOYSA-N
-631DF0ACEC56801A_41CFFC03EDA7D83C_6038_UN,CC2=CN1C(=NCC(C1)OC(C(C)(C)[S](=O)(=O)Cl)=O)C=C2,NGOBPXLHCQGGNJ-UHFFFAOYSA-N
-647610FC356BFC1E_A92D1E6215D6DFDA_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,ICMLIESZQHMMRJ-UHFFFAOYSA-N
-647B1562A9588211_D7C846C93B7430C4_6041_UN,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC(COC)C2=NN=N[NH]2,VXBIHGFKOOCTRL-UHFFFAOYSA-N
-64CE3A29F713E059_82A634900B2FEA87_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=NC(=N[NH]3)C4CC4,YJLNOFBLMHNPDJ-UHFFFAOYSA-N
-656A5D43FE8BB8C6_A11548D6AED01DD2_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,IVDCXWPJIXQRIY-WOVMCDHWSA-N
-659D63BF9FCDDA85_81746716EF9006F7_6005_UN,C1(=CC2=C(C=C1)CCC2=O)C3=C(C=CC(=C3)C(C)C)O,NIXMGCNYUAWMQT-UHFFFAOYSA-N
-692536FFED283468_B666174DE725C620_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC3=C(C=C(C=C3)C#N)C4CC4,KOBJHLDJERTYEP-UHFFFAOYSA-N
-6B1049193674DFFF_841AECF9E0A528FF_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC(=C3F)Cl)(=O)=O,VIFKSWVDMVKKJR-QMTHXVAHSA-N
-6B483D4A66BC80E4_1687CF05289B44D6_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3ON=C(CC)C3)=O,DBBSBQCRZSLUHA-LSLKUGRBSA-N
-6D4D5FD387B18DAC_926F46949C0FC02B_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,QSNGVQXOSNZLPB-UHFFFAOYSA-N
-6DA58A81DA07AD4F_34AA51627892D5DC_6029_UN,CC1CC(C1)CN[S](C2=CC=C(CCOC)C=C2)(=O)=O,ZAFFMUIFRSTCNZ-UHFFFAOYSA-N
-6E1EECDD864CDA21_B160AE2BE0B6F8D8_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=C(OC)C=C3)(=O)=O,HFYGHPUTMIYCBD-RHSMWYFYSA-N
-6E6CE28824BE203B_F96842B6AE2E8709_6028_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CN=C(C)C=C3)(=O)=O,YUYVIZAZYUQXAS-SHTZXODSSA-N
-7048964176A45E9D_8414CF1252D6EDFB_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3F)Cl)(=O)=O,WZOLJHCUWLGKDQ-IAQYHMDHSA-N
-712EF325F47189A5_BDD0F95B840FCEFC_6038_UN,CO[C@@H]1CN(C)C[C@H]1NC(=O)C2=CC=C(C=C2)[N]3C=NN=C3,FYUCZMMJHGWGKQ-ZIAGYGMSSA-N
-730D40480BB5E58E_0E96FE95AAE86331_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,YZKLPLJATWBIAP-HOMQSWHASA-N
-74BB733A534B02C3_2C928FB3C0DC143C_7019_UN,C(CN1C(=O)CNC1=O)=CC(C2=CC=C(OC)C=C2)C,IWGIMEZVTKMTPY-UHFFFAOYSA-N
-752D54DC1C099A8A_71D7EED26E25AB06_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)NCCC3=CC=C([S](C)(=O)=O)C=C3,JSNLCMPBLHRUCX-UHFFFAOYSA-N
-76C914917DF12471_9ACAFFB288753A78_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC3(CN(C(OC)=O)C3)C,NWAJKUICBJEGKO-UHFFFAOYSA-N
-77516C9857467B16_959ECE7248740049_6038_UN,C[S](=O)CC1=C(C(=CC=C1)NC(=O)C2=NNC(=O)CC2)C,MRPXWDSCOKPINM-UHFFFAOYSA-N
-7761CB03D686EF99_D19DCE900962DAAB_6041_UN,CC1=C(N=C(N=C1)N[C@H]2CCOC3=C2C=C(C)C=C3C)[S](=O)(=O)C,OTFXGAYZTDKYJY-AWEZNQCLSA-N
-7813F70D63E63B87_5784D1E5589E0C88_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(C(F)F)C=CC=C3)(=O)=O,DKCDGLHNJDZFMO-HOCLYGCPSA-N
-787658D8B1EE4CF9_49311BB2CDF8C3C8_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC3C2=CC=CC(=C2OCCC3)OC,NCVDBDDIHUOTFZ-UHFFFAOYSA-N
-79E5BECF58B23D75_689EA4D7C0BA8560_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C(N=CC=C2)N3CCOCC3,RVECLHRTWITBPD-UHFFFAOYSA-N
-7A00F7D9BD7C0BF5_16CF548DF2C167CE_6038_UN,COCC(NC(C1=CC(=C(C=C1)OCC=C)OC)=O)C2=NN=N[NH]2,QHWUBYUJXQACAY-UHFFFAOYSA-N
-7A0D73003DDFA00B_069EEB2F7D4359C0_6005_UN,COC1=CC(=CC=C1)C2=CC=C(C=C2)CN3C=CC=CC3=O,HXCMGNLIKUEMGX-UHFFFAOYSA-N
-7AA85E22D0D666EA_9FE2C89C2794907C_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,YBYZQIYPALLHEF-UHFFFAOYSA-N
-7B7F970219E4B08B_1B7402D4D7585436_6041_UN,C1(=NC=NC(=C1)C2CC2)NCC3OC4=C(C(C3)=O)C=CC=C4,OOEQKKBRIDSDEC-UHFFFAOYSA-N
-7C7ABEC6E2547C3B_34D8F30C5E5CF8A5_6038_UN,O(CCCN1CC(=O)NC1=O)C(C(C=CC2=CC=CC(=C2)OC)=O)=O,RRNLLSIIXCIILM-UHFFFAOYSA-N
-7DE46C72F66ACC2B_93266E555EFA0620_6027_UN,CC(C)C2CCC(CN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,IOBIBMYUTJGTTR-UHFFFAOYSA-N
-7E4DB1170A50301B_0889BB1C8C9C4961_6041_UN,C1(=CC=C(C=C1)C(=O)C2=NC=CC=N2)N[C@H]3[C@H](OC)CC3,PNMCZINDRQWPJF-ZIAGYGMSSA-N
-7EEACA574B4A0FD2_DF683ABEB3FCA4BC_6005_UN,COC1=CC(=C(C=C1)Cl)C2=CC=C(C=C2)CN3C=CC=CC3=O,HRVGRVLDVOYKHC-UHFFFAOYSA-N
-7F3313E840C9451D_7964AB93D66FC060_6028_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3)(=O)=O,AEDSOHKADZHZLE-HUUCEWRRSA-N
-7F3BBF4306C0E77F_1CBD1DE9D6576DE9_6029_UN,CC1=CC=C(C=C1)CN[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,IDDOGTJKAITUBO-UHFFFAOYSA-N
-7F4ED9AED4D330F9_C5BDFC0F0A90AB97_6029_UN,C1CC(CCN1[S](C2=NC=NS2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,HFDIMDJBQSJTBR-UHFFFAOYSA-N
-7F83CE58007B7458_91A1BA10FEC41919_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,LRQLUBUINCKRQO-UHFFFAOYSA-N
-810E9FF4AFDFB0C1_EBF3587B89571F9D_7015_UN,C1CC(=CCN1[S](=O)(=O)C2=CC(=CC=C2)Br)C3=NC=CS3,UHQPBYZHDSSVKP-UHFFFAOYSA-N
-813B0CD8ADE9048A_9D2D136856C01554_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(OCC)=O,ZWEJBODJHGEKME-UHFFFAOYSA-N
-82704E8892A022FE_5A85755C681A55F0_6028_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)Br)(=O)=O,CLDWLDSTECCRDD-UKRRQHHQSA-N
-837B88F0B375221A_4D0FFE97B6C30D89_6041_UN,C1(=C(C=CC=C1)C2CCC2)NC3=C(OC)C=CC(=C3)C[S](=O)(=O)C,MIILPGVOQAMVBQ-UHFFFAOYSA-N
-837FDA5FAD4930D2_0478E55954783720_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(Cl)C=C2)CC3)Cl,SIPXKSQHDFZTCT-UHFFFAOYSA-N
-8408D6C0F80B84F4_98972A775B401CD9_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC1=N[NH]C(=C1)C2CC2)C,GIPKMDWNMLWOQZ-UHFFFAOYSA-N
-8599B9A3184C5D41_F3A6D8CEB65F2C17_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=CC(=C(OC(F)F)C=C3)Cl)(=O)=O,HJMQNBVKJYILFZ-UHFFFAOYSA-N
-85B87CD69DA6F2DE_F29DAFBB513233C8_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2F)F)CC3)C,KAQFLEWNTCQOGW-UHFFFAOYSA-N
-85F940CB06AE2D20_EF22E77E235E61D7_6038_UN,CC(NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)C3=NN=N[N]3C,UCBMLUFXBQFCSN-UHFFFAOYSA-N
-873789D158B29405_7F1FF6BA87C5172F_7009_DP,N([S](=O)(=O)C1=CC(=CC=C1)OC2=CC=CC=C2)C(CO)=O,AJRSZDOFOVRVMB-UHFFFAOYSA-N
-873789D158B29405_D35DB704056BE82B_7018_DP,N([S](=O)(=O)C1=CC(=CC=C1)OC2=CC=CC=C2)C(CO)=O,AJRSZDOFOVRVMB-UHFFFAOYSA-N
-8A5C12A69F22717A_26D984BB5596BEB8_6029_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC(=CN=C2)I)(=O)=O,UHRZGTPHPFUAAX-UHFFFAOYSA-N
-8ADD5B70FAB1F4C6_E61352B1EC3ADC2F_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CN3C2=NCC3,MEADBHIVLTZODQ-UHFFFAOYSA-N
-8D08EED10A12D44E_136D34B9669FAF6C_6028_UN,C[N]1N=CC(=C1)[C@H]2[C@@H](C2)N[S](C3=C(C=C(C)C=C3)C)(=O)=O,HHPRZRCNJDFLEX-UONOGXRCSA-N
-8D89A89EB1AD5414_C7F9E68EB1B69D84_6029_UN,N(C1=C(C=CC(=C1)F)[N]2C=CC=N2)[S](C3=C(C=CS3)C4CC4)(=O)=O,CJOMPBGXGGBGGQ-UHFFFAOYSA-N
-8E22E64FCF57C049_3AA54BCC6E5567CA_6038_UN,COC(=O)C(NC(C[Si](C)(C)C)=O)CCC1=C[NH]N=C1,DKDVVDCFJYURGV-UHFFFAOYSA-N
-8F1D43AD920E8AD7_D2CAFC86C4885836_6028_UN,N([C@@H]1C[C@H](C1)OC2=CC=CC=C2)[S](C3=CC=C(COC)C=C3)(=O)=O,IVDCXWPJIXQRIY-JCNLHEQBSA-N
-908A7015BA11A261_83CA603B55AF1590_6035_UN,C[S](=O)(=O)CC(OC1=NC2=C(C=C1)CNC2)C3=CC=CC=C3,XHITZVSYWQJSDL-UHFFFAOYSA-N
-90F7801AE0FC25CA_DFFDF80E27B2BD92_6041_UN,CC1=C(N=C(N=C1)NC3C2=CC=CC(=C2OC3)OCCC)[S](=O)(=O)C,XHJRCWYDPDNUKA-UHFFFAOYSA-N
-9131A419A5C055F3_537B0306472715C9_6029_UN,N(CCC1CCC=CC1)[S](C2=CC=C(COC)C=C2)(=O)=O,YCYHBJLVQABRDO-UHFFFAOYSA-N
-9376679A4D9C7EE3_77D86088AB71FDB1_6041_UN,C1(=CC2=C(C=C1)OCO2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,KUHWHQPPAXFUNB-CHWSQXEVSA-N
-938ECE391791CF36_BFE66A7D422B679B_6029_UN,N(C1=C(C=CC(=C1)F)[N]2C=CC=N2)[S](C3=CC=C(S3)C4CC4)(=O)=O,BTKUPVXBBCQNEI-UHFFFAOYSA-N
-943BBFAE9EB9E007_55303081529706EE_6029_DP,C1CN(CCN1[S](C3=CC2=C(C(=C[NH]2)C(F)F)C=C3)(=O)=O)C4=NN=CC=C4,IQHUDDRZTBRKIP-UHFFFAOYSA-N
-94BCF9861DDDF14C_183D2E5C682BD427_6038_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)F)C(C3=CC=CC(=C3)COC)=O,CFYSMGQRKITGCN-DLBZAZTESA-N
-973B35C1BF122FDF_7E940CB21CEAF708_6041_UN,COC(=O)CC1=CC(=C(C=C1)C)NC(COC)C2=NN=N[NH]2,VUJPXVOIMLMSJG-UHFFFAOYSA-N
-97E834A36566A2B4_A6A2EF1768BD72C1_6029_UN,C1C(CN1[S](C2=C(OC(F)F)C=C(C=C2)F)(=O)=O)C3=NOCC3,MXASAPXGDKVGCA-UHFFFAOYSA-N
-98DEE0176CE61B9F_B511A9D29B537BA9_6029_UN,N(C1=C(C=C(C=C1)Cl)[N]2C=CC=N2)[S](C3=C(C=CS3)C4CC4)(=O)=O,SXEGNJJUJBURNN-UHFFFAOYSA-N
-9C78FEF633C04D1D_C947F32B7D751693_6035_UN,CC1=C(C=C(C=C1)N3CCC(OC2=CN=C(C=C2)[S](=O)(=O)F)CC3)C,YLGMMIHKXWFZOZ-UHFFFAOYSA-N
-9D8D2837B849C467_3EF288DDFA6E3CDE_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=C(CC)C=CN=C3)(=O)=O,XWKNZYIIYJHCMO-JKSUJKDBSA-N
-A1105A58C8951343_99B12C6BFA2E49F8_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(CO)C=C3)(=O)=O,OHCIIYHBSIYZMU-UHFFFAOYSA-N
-A3665635FD2B0825_B6322B464F0025F2_6038_UN,COC1=NC4=C(C(=C1)NC(C3C(C2=N[NH]C(=N2)C)C3)=O)C=CC=C4,GRTCCAPZPHTAHC-UHFFFAOYSA-N
-A489C3424AB2221D_16AF6AF2C9618372_6005_UN,COC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=CC=CC3=O,BBEPAVKZAMHQJP-UHFFFAOYSA-N
-A51CBAAB41BAA02F_9CF86B947DD94BE2_6038_UN,CC3OC(=C(OC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)C3=O)C,SCNAVVNLUCNQEX-AXRFISIWSA-N
-A5B72566370C4DFF_4583095FA8F99287_6029_UN,C1CC(CCN1[S](C2=CC=NC3=C2N=C(Cl)C=C3)(=O)=O)C4=CSC=C4,XTAMRWLLVARBIR-UHFFFAOYSA-N
-A63A7157CB645AF1_0AD875457CF9AFBD_6028_UN,COC1=CC(=CC=C1)CCN[S](C2=CC(=CC=C2)Br)(=O)=O,MQGVTLUIFRWUPD-UHFFFAOYSA-N
-A7715D663149A268_434D92988A6D173D_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(OC)=O)(C)N,PARLBURZEZEBFC-UHFFFAOYSA-N
-A78E9586733D0920_530F3AFC3936A808_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3(OC)C[S](CC3)(=O)=O,VBMXDOUNUBYRGF-UHFFFAOYSA-N
-A799875CCA28EFCC_C08FFCC6D31A18F9_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,ZQYQRNDMRBFEDF-UHFFFAOYSA-N
-A801DB9AF3479354_20A43E777AF31DB6_6028_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,RYLYHPNQDRUMST-HUUCEWRRSA-N
-A9D142098D6CE317_ACBC441DFC5DD455_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)NCCC3=CC=CC(=C3)[S](C)(=O)=O,XLYRISHUUPIGDD-UHFFFAOYSA-N
-AAD4EE7B11AC182D_1DF66CC0E862D5F5_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)Br)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,UGAAUZIPOFCTMQ-MJHDQNEOSA-N
-AB497504C98ADF13_03326F91F8F78086_6038_UN,COC(=O)[C@H](NC(CCC[Si](C)(C)C)=O)CC1=C[NH]C=N1,YWJDRGMZMOFIIN-GFCCVEGCSA-N
-AC50853A928EBAA5_C33257ABCC6129AB_6029_UN,C1CC(=CCN1[S](C2=C(C=C(C(F)F)C=C2)Cl)(=O)=O)C3=NC=CS3,AWOFBJTZNQGHAR-UHFFFAOYSA-N
-ACE8D9B1173E1538_64FF0F114F54A64F_6041_UN,C1(=CC(=CC=C1)N2CCCC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,ZCOMIGGNZRQCLF-UHFFFAOYSA-N
-AD086666322CDA6B_7109E28010A58AAC_6038_UN,COC1=CC(=CC=C1)OC(C2=CN[S](N=C2C)(=O)=O)=O,HUVLAYNVXSPEBU-UHFFFAOYSA-N
-B058F1DDC191357A_700526E61489E6E0_6029_UN,C1CC(=CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C4=NC=CS4,PCJSWJSSESGEJN-UHFFFAOYSA-N
-B0A67C3D11385F62_E1420196EDDA6987_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N[S](=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4,ZRCSJJGUHJNZMN-UHFFFAOYSA-N
-B1038D0B75AA7263_916F833CAC603C38_6038_UN,COC(CNC(C1=N[NH]C(=N1)C)=O)CC2=CC=CC=C2,YHOOMMGTIIUYSR-UHFFFAOYSA-N
-B5148525F26765BB_BEAE5C62DD5D5A7D_6029_UN,C1CC(=CCN1[S](C2=C(C=C(C(F)F)C=C2)F)(=O)=O)C3=NC=CS3,XFFKUJUDFQYTSN-UHFFFAOYSA-N
-B62296C248E48A21_F09DA4EFEAF138EB_6026_UN,CC1=C(C(=C(C(=C1)Cl)C)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)F)CC3)Cl,PUGARPJDZQRDNT-UHFFFAOYSA-N
-B6E799B1AA0B02B0_88166839BA5E0F03_6029_UN,C1CN(CCN1[S](C2=CC(=NC(=C2)F)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,MLDNLENJNBTPKQ-UHFFFAOYSA-N
-B7DF3805EF7A8E1C_4074013C01B4DDBA_6028_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=CC=C3)(=O)=O,VGNCLMQHQRRLJD-UHFFFAOYSA-N
-B81B1B4F4B40D6DC_65552D0138A75C6A_6041_UN,C1(=CC=C(C=C1)N2C(=O)NC(=O)C2=O)N[C@@H]3[C@@H](COC)C3,SOGQCIVUMPEDMM-KCJUWKMLSA-N
-B83963C5DC5CC664_C3B0351E8B7250E9_6028_UN,ClC1=C(C=CC(=C1)Br)C2=NN(C=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,UYTMYGRDEDUQAY-UHFFFAOYSA-N
-BAE7ACC3BBF5C2D5_4C85401C024C352A_6029_UN,CC(C)C1CCN(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,KVHWYOKEEKBHFV-UHFFFAOYSA-N
-BF78DC3889CB444B_0EA184E832653C97_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=NC=NC=C3,QLVAALFMZDVNEJ-UHFFFAOYSA-N
-BFC4A2F1A571F1E2_7D2D974D3553EAD6_6028_UN,COC1=C(C(=CC=C1)Cl)[C@H]2[C@@H](C2)N[S](C3=CC=CC=C3)(=O)=O,IOFIYYWGJHPAEN-TZMCWYRMSA-N
-BFE2B7388C1526BC_0B28392E05B13247_6041_UN,C1(=CC(=CC=C1)N=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,LTQKUYMHRGRVBP-FZMZJTMJSA-N
-C211CF06B82CBEB0_D14AF2F57518CBA1_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,RXAJNPYXDIURCJ-UHFFFAOYSA-N
-C3A90684EA5B7C22_54DD6D3381EDCB2D_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N(C2=C(Cl)C=C(C=C2)Br)C3CCC3)C,SUMUPOSYABLTNN-UHFFFAOYSA-N
-C429B63324B47674_40724DBD03F7C110_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(Cl)C=C2)Cl)CCC3)C,XKXVXEQVQRQCTD-UHFFFAOYSA-N
-C7EE639E0010ED30_09E3A00E881AD2D4_6038_UN,CCOC(=O)C(NC(C(C1=CC(=C(OC)C=C1)OC)(C)C)=O)C2=NN=N[NH]2,ABHBLMTXOYTIKO-UHFFFAOYSA-N
-C8B1975C87527F61_49C0570A3F439546_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C(=CCC)C)=O,NKHANDJPRPYEAF-UHFFFAOYSA-N
-CB3E9120DFFA7796_3CC2B71D72F12936_6041_UN,C1(=C(C=CC=C1)C2=NNC(=O)C2)NC3=CC(=CC(=C3C)C)[S](=O)(=O)C,GPCQMYXBQJEBGA-UHFFFAOYSA-N
-CC3B9BC32BB205AA_6FF4620038D1CF3D_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,DTVUWYZLTUEGNE-MJHDQNEOSA-N
-CCCD823ABB71D782_FD3F138491FE2C63_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N3C2=C(C=C(OC(C)C)C=C2)CCC3)Cl,WONQVDVQCUTBNI-UHFFFAOYSA-N
-CCF9FDA1CFCA0891_FAA96FE653E23A8B_6028_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,SBRUDFKJSVEJCA-IAQYHMDHSA-N
-CDFBCBEAD0CE0410_EAA889D9382A789C_6035_UN,C[C@@]2(OC1=C(OC)C=C(C=C1)F)C[C@H]2C3=CC=CC=C3,KPJMLDXQSAXCNG-WMLDXEAASA-N
-D13348252D9627CB_2302F6F011C1A80A_6035_UN,C[C@@]2(OC1=C(OC)C=CC(=C1)Br)C[C@H]2C3=CC=CC=C3,PLFIHJCUIUCOSZ-WMLDXEAASA-N
-D248954DFC5CE09D_4D7ADD6726BB18FB_6041_UN,OC(=O)C3CN(CC1=C(C=CC=C1)NC2=C(C)[N](N=C2)C[Si](C)(C)C)C(=O)C3,JRLSJULQKJETSH-UHFFFAOYSA-N
-D3E1ED6C241713E1_EFBA1C2EBB5BDC5D_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3C2=C(C=C(OC(C)C)C=C2)CCC3)Cl,YFQYQVNURYVQFZ-UHFFFAOYSA-N
-D3F2ACFAAF246805_97FA51B136686B7A_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=CC=C2)(=O)=O)C3=CC=CS3,BTWORABRZPLAMI-UHFFFAOYSA-N
-D47B1F5E7AE5537A_0C55F7AE91F37048_7019_UN,C([C@@H]1CCC(=O)N1)=CC2=C(C=C(OC)C=C2)OC(C)C,CZTFFLNOHDJCNV-CYBMUJFWSA-N
-D570587C5C6805F8_4365954041FA8E45_6029_UN,CC2=CC(N[S](C1=CC=C(C=C1)C(Br)(Br)Br)(=O)=O)CCC2,YLMRRABPSMAGIK-UHFFFAOYSA-N
-D5BCE9468B265E44_22E126FA90A19349_6038_UN,CCCOC1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,VLNOCTSKFXQBMD-UHFFFAOYSA-N
-D5E552F223459142_87DA547E6DD694C8_6038_DP,N2C[C@H](NC(C=CC1=CC(=C(OC)C=C1)OC)=O)CO2,BWUOKYNYVCISFS-NSHDSACASA-N
-D6AC9ED4FAFC149A_47A2C5392B26ECDF_6038_UN,CC1=CC(=C(C=C1)F)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,BORCYKIDUDASNB-UHFFFAOYSA-N
-D8B12ED2FFDFAA1D_6CD04CB32C9C7E0A_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=CC(=C2O)OC)C,OYFWEQWFIHGNOS-UHFFFAOYSA-N
-D8B3A9D4A66FCDEA_5FB7AA70C3F289FC_6029_UN,CC=CCCN[S](C1=CC=CC(=C1)C2CC(F)(F)C2)(=O)=O,VZODKHKKMCSVPY-UHFFFAOYSA-N
-D8FFE5D70376DE0D_DE1A30B5FCA89D6A_6041_UN,C1(=CC(=CC=C1)OC2CC2)NC3=C(C=CC(=C3)C)[S](=O)(=O)C,SZUCVGLYHLGBPX-UHFFFAOYSA-N
-D97ABEF6330A84D4_9FF0C55661200AAB_6029_UN,N(C1=C(C(=CC=C1)Cl)[N]2C=CC=N2)[S](C3=C(C=CS3)C4CC4)(=O)=O,ZRBXFYLPDIGJKJ-UHFFFAOYSA-N
-DAAB5537743E9748_DC0AECB8FE4284DE_6035_UN,CC(OC1=C(C=CC=C1)C2=NCCN2)CCC[S](=O)(=O)C,LFPQLJYGNMXADZ-UHFFFAOYSA-N
-DAD62A6C9E39A723_DEB2572ABA6DC07B_6041_UN,CC(C)OC1=NC(=NC=C1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3,LEQJSPWGZIJDOK-UHFFFAOYSA-N
-DE60AA7760475376_E6DDA2AE7388FBE9_6028_UN,COC1=CC(=CC=C1)CCN[S](C2=CC(=CC=C2)I)(=O)=O,BAFDILGLKYQMPN-UHFFFAOYSA-N
-E06F973F56546EFC_005CF9584243A9E7_6028_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(OC)C=CC=C3Cl)(=O)=O,ZNZSRBIEQQSAIC-HOCLYGCPSA-N
-E0F686F4B7622504_23C15E0523B027F4_6028_UN,C1CN(CCN1[S](C2=CC(=CN=C2)Br)(=O)=O)C3=NC(=CS3)C4=CC=CS4,YVRFBTKAWYZHGA-UHFFFAOYSA-N
-E26751187B869AD6_626EFF948A260502_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)Cl)(=O)=O,OZYJOJHVFVOGPD-UKRRQHHQSA-N
-E62F66847C66F187_991CD5E306B1CA3B_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3([S](CC)(=O)=O)CC3,GCNWGVFARUXWDT-UHFFFAOYSA-N
-E6B5FACAED3AEF00_5B7D94C8DF7EB263_6041_UN,C1(=CC=C(N=C=O)O1)NCC(C(OC)=O)CC(C)(C)C,BQGBBBGZUOFQPB-UHFFFAOYSA-N
-E7C76C9CD8E19C5A_0AAA091032B042CF_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=NC=NC=C3,SGAWDHSWRLXGDW-UHFFFAOYSA-N
-EA8327D7038235B7_D541D196C6A40F5F_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3C(C2=CC(=CC(=C2)C)Br)CCC3)C,UTXVSBPECHMGPA-UHFFFAOYSA-N
-EB53528F3D2A8A12_8AC743411DAAC6BA_6041_UN,CC1=NC(=NS1)NC(C)C2=CC=C(C=C2)N3CCCOC3=O,SRMJYSJXKINWCK-UHFFFAOYSA-N
-EC0BD2112F3E60D4_CA074CBD245B6DD7_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C(CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,MSUNWCSIOJKPFE-UHFFFAOYSA-N
-ED2C8660E65B6BEC_FC7F5BBDB3B22D34_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2Cl)Cl)CC3)C,XVMKBIRKDAQQHC-UHFFFAOYSA-N
-EDDEA9608C18A6F1_56F7E66E60AB2281_7022_UN,C2(=C1OCCOC1=CC=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,OMQYSQSMXVMXGB-TZMCWYRMSA-N
-EF9317ECBD67A479_999DF364998D5404_6041_UN,CC2=N[N]1C=CC=CC1=C2N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,GMKNIICXVQQXFU-ZIAGYGMSSA-N
-F11B870D0B599178_745D6FBC184BB654_6028_UN,FC1=C(C=CC(=C1)Br)C2=NN(C=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,IDBHLKNPIKDICR-UHFFFAOYSA-N
-F1334A0379EFC43F_C9F4ED8943E98A4E_7019_UN,OC(=O)C1=CC(=C(C=C1)F)C=CC2=C([N](N=N2)C3=CC=CC=C3)C4CC4,VFKTZLGDSZZTJZ-UHFFFAOYSA-N
-F2488FB06765B570_7C0127D7636AA243_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CN3C2=NCC3,SBARFGJDUQYJPA-UHFFFAOYSA-N
-F4F26376FEAD78F1_DBAF0541883F0244_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NC[C@@H](C(OC)=O)F,TXPSDVKITDOMFC-VIFPVBQESA-N
-F585CB0E6CE08B5C_CA615203024B15F5_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NC=C(C2=CC=CC=C2)[N]3C4CC4)(=O)=O,BYDUQSOHJPYKTJ-UHFFFAOYSA-N
-F6A30E1A4B707DC8_4B2A7AC65D8CD5E4_6038_UN,N(CCOC1=CC(=C(C=C1)Cl)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,YLUXSALLRSLVRL-UHFFFAOYSA-N
-F75A2FDFFF997909_641F44D8A522575D_6034_UN,COC1=NC(=CC(=O)N1C3=CC(=O)N(C2=CC=CC=C2)C4=C3C=CC=C4)C,MISIOPPLSNGKJD-UHFFFAOYSA-N
-F826C06C60A25127_5E5C9ED67384722E_6028_UN,N(CC1=CC=C(C=C1)C2CCC2)[S](C3=C(OC)C=CC=C3)(=O)=O,BPUIVFQJZMIVDD-UHFFFAOYSA-N
-F85E4DCA0D0093A6_8418B701EFE57339_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC(=CN=C2)N3CCCC3,QCBBLXKQMOWUKB-UHFFFAOYSA-N
-F968BC8CB550FC2A_943C066DF1B388DE_6029_UN,C1CN(CCN1[S](C2=C(N=C(C(F)F)C=C2)Cl)(=O)=O)C3=CC=CS3,KWNZXHYAMPXFNG-UHFFFAOYSA-N
-F974AFF6749037C6_EB996667F795F0FC_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NC3=CC(=C(C(C)=O)C(=C3)C)C,SBHUKQIGBGIZMW-UHFFFAOYSA-N
-FA15AFB0727D5E5A_AF94F97042A545D3_6035_UN,CC(OC1=C(C=CC=C1)C2=NCCN2)CC[S](=O)(=O)C,AXKOFZWVIGXEMJ-UHFFFAOYSA-N
-FA7DA9D5112CF100_E4591756DECDA5A0_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2CC2(F)F)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,AXCQBBJOKQHXHM-UHFFFAOYSA-N
-FB687CB87FA0DB24_07EEC1ADD7C8DF78_6028_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,OTONMBACDGPWHX-LSDHHAIUSA-N
-FCA3317526F9625D_CA1948F77CE2E167_6026_UN,FC(F)C1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)F,GYZIZGSCVLIJJC-UHFFFAOYSA-N
-FCB83D94C8388410_76D3218BF8FF665F_6029_DP,N1C[C@@H](CC[C@@H](C1)N[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O)O,YJZNTJBAEGUNTA-NWDGAFQWSA-N
-FCE25DBF125DE526_13D5462A4DE758A7_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C4CCC3=NN=C(C2=CC=CC(=C2)C)[N]3C4)=O,UFEYODOCWGCWAL-UHFFFAOYSA-N
-FDA5B49E22FF9224_C787997C416E8A46_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,IKYOOAWGSXLFSK-UHFFFAOYSA-N
-FE63AF9C0A929BA2_DB0A319DF472A6EF_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC=CC(=C3)[C@H](O)CCl)(=O)=O,QWTSQVLOXIQZRD-CQSZACIVSA-N
-00277A916FAC4475_0A995C1494BDFAE6_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC=C(C=CC)C=C3)(=O)=O,DEUNOHLHAMNDSA-UHFFFAOYSA-N
-01A99CAB8546AB09_7005FB9AE40D9588_6029_UN,N(C1(CCCCC1)C2CC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,AXULAHNXBMRHFV-UHFFFAOYSA-N
-0475895D93399BE5_32BC78CB05764090_6041_UN,CC1=NC(=C(C)[N]1C)N[C@H]3C2=CC=CC(=C2OCC3)C,BFRKAQFHRXBGJM-CQSZACIVSA-N
-047BC34BBA6DA259_FEA2DC9B35241232_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC([C@H]3N(C)C(CC3)=O)=O,YXZPACKTHXXWSK-ZDUSSCGKSA-N
-04E3443D112B7038_828E8A5CB170C029_6029_UN,C1N(CC=C(C1)C2=NC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCCC4)C#N)(=O)=O,ZOWYBVYTCKXMLB-UHFFFAOYSA-N
-0577F690F871E8C4_7F74491661EAD56C_6039_UN,CC(OCC1=NN=C(N(C)C)O1)C2=CC3=C(C=C2)OCO3,YRWKQOXUKUSNJW-UHFFFAOYSA-N
-071BE7DDF122E82D_14545616FF240E8D_6029_UN,OC1(CCN(CC1)[S](C3=C(CC2(O)CCC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,YVNWRROETGORND-UHFFFAOYSA-N
-09D642E4F7DAE4C0_FBE94217F0BE522F_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(CC4)C5=NC=CC=C5,IUYRZVYONKSKRX-UHFFFAOYSA-N
-0A0C97310975A5A7_2215FD5ED3B83A65_6029_UN,N(C1(CCCCCC1)C2CC2)[S](C4=C(CC(C3=CC=C(C)C=C3)=O)C=CC=C4)(=O)=O,PIXJDPSOLHVZPY-UHFFFAOYSA-N
-0A409011B8960AC8_6667E6AC54151415_6026_UN,C[N]1C=C(Br)C2=C1C=C(C=C2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,DLGCHBFIBMPHAG-INIZCTEOSA-N
-0B2C9F7EF3AB3451_E7B5C78B0D6B6ECD_6029_UN,OC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCCC3)C#N)(=O)=O)C4=CN=CC=C4,CTLBJYICDMCORB-UHFFFAOYSA-N
-0C2B72D93E5975C0_F7605594AE40D35F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3CCN(C(N(C)C)=O)CC3)=O,YBNXROBULSYNRF-QGZVFWFLSA-N
-0C3D1C07751CF664_D11AA7F1FD65CFBC_6041_UN,CC1=NC4=C(C(=N1)NC(C)C2=C(C=CC=C2)N(C)C)C3=C(CCC3)S4,TWSRDSAHFBOLEI-UHFFFAOYSA-N
-0D7603AB29EBC88D_AAC28829199F80C3_7022_UN,CC1=C(C=C(C=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C)Cl,QXWCOCXIGUTLKK-UHFFFAOYSA-N
-0DBCCDB19FA3CEF5_2CD3F9D6379BE337_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CCOCC3)C=C4)(=O)=O,YBGOJLPELNDOGQ-UHFFFAOYSA-N
-0E4DA95CC242FCCD_154D2E1689ACB622_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)CC4=CN=CC=C4,WUWDEBWJBFOOHP-UHFFFAOYSA-N
-0F984DE334F8DCB1_71ED21C8FD495E8A_6038_UN,CC(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)C(=O)N(C)C,SYZHFMYMPDSYKZ-UHFFFAOYSA-N
-105760FD715CD0BF_40311678F51E7CFC_6029_UN,N(CCC1=CN=CN=C1)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O,FBQFEQNQTOYPDH-UHFFFAOYSA-N
-1072AA88F84B9BBF_D92CCEE3D56ADD08_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCN(C)CC3)C4=CC=CC=C4,MISOJZKPJYEYJW-UHFFFAOYSA-N
-11302BC1BF626365_D50DD17658ED3B62_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,WNJUYUZGOUNAON-UHFFFAOYSA-N
-122D6014DB837024_CD8490CF320365B7_6029_UN,C(C1CCN(CC1)[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=CN=CC=C4,VKLADDKLCJHUCI-UHFFFAOYSA-N
-1256D86856F2CC85_B911983CC2B6303F_6041_DP,N4CCCC1=C(C=C(S1)NC(C)C3=NC2=C(C=CC=C2)[N]3C)C4,BJVOSYNJLQQBAM-UHFFFAOYSA-N
-14663FA4F8D19565_86D4C01F31705030_6029_UN,OC1(CN(CCC1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,SHMCBADLJUZJCV-UHFFFAOYSA-N
-1547AF112AC986BB_FCBFEEBC6D9CD1D1_6038_UN,COC(=O)C2=CN=C(CNC(C1(C(N(C)C)=O)CC1)=O)S2,NMFVBSMFQNLVMG-UHFFFAOYSA-N
-15553620D79342D5_2E1782E4DD60E860_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CN=C(N(C)C)C=C2)=O,MKXBVOFTUQETDR-SECBINFHSA-N
-1607007565E57A75_DEA6D6C8C20C19AF_6029_UN,N(CC(O)C1=CC=NC=C1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,TYKJQERLGJHGOY-UHFFFAOYSA-N
-1610489AFE546878_DA0FE1C93D29A403_6041_UN,C1(=CC2=C(C=C1)COC2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,USLCBCNDWXWLLB-UHFFFAOYSA-N
-1744886699166659_33F267AE4BC3E578_6038_UN,CC(C)CC(NC(C1=N[N](C)C(=C1)C2=CC3=C(C=C2)OCO3)=O)C4=NN=N[NH]4,YKEXDSCBZYTNDB-UHFFFAOYSA-N
-191C37BBAE2632E5_8908744702120E80_6029_UN,N(CCC1=CCCC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,GYHVEIQARJZDTJ-UHFFFAOYSA-N
-1AB6E49C25062FB6_BA9AD7D1FE4C9063_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(=CC4)C5=NC=CC=C5,BYBMLTIEZLCBLY-UHFFFAOYSA-N
-1BF51A3D5703AA4B_1CDDB842E646ED15_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=NC=NC4=C3N=C(N(C)C)[N]4C,IKRCOKCHAFLMDN-UHFFFAOYSA-N
-1D019EA849E1B824_679D2D02A1028F23_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,OMRYGDAETNWFNH-UHFFFAOYSA-N
-1DC05ADC15C16FD3_010689BC95609D04_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O,KLHAKFIIGNVBQQ-UHFFFAOYSA-N
-1DE277E24F508A5F_96462DDD94F6D93C_6027_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,UQNCVBQDMZEHDC-UHFFFAOYSA-N
-1EEAA7762C4FCA14_C19EC5D58F121A2F_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,VBQQXHKXTRCKOH-UHFFFAOYSA-N
-1F24DC2A9224A9DF_10B52C2B452950A5_6028_UN,N(CC1=CC=NC=C1)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,HRBIOWBGGRSAGZ-UHFFFAOYSA-N
-1F3D48179D90C2FF_1D8DEA601DB31EBA_6038_UN,CC(C)CC(NC(C1(C)COC(=O)OC1)=O)CN(C)C,WYPFQSWYAOQSTN-UHFFFAOYSA-N
-208EAFEA7FC4E5D3_6B49AA37E3D41E97_6025_UN,C1(=NSC(=N1)Cl)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,SUORNURSAHTZKL-UHFFFAOYSA-N
-2197DEC8926E4B9C_34A7A5A391FB7241_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N3CCC(C3)[N]4C5=C(N=C4)CCCC5,XYXOEFWDKOWQNU-UHFFFAOYSA-N
-21F267C85269F42B_1FD11E3175AABC8D_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=C4)(=O)=O,WNPNUJMZHBEZHK-UHFFFAOYSA-N
-21F7C69C2505A673_285D1DB1FF8279C5_6029_UN,OC1(CN(CC1)[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=CN=CC=C4,MOZWSKONFDKPHB-UHFFFAOYSA-N
-230C4AF582E72E66_51F979D24379EFC2_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)C3=C(C=C(C)C=C3C)C,WEXFZFOWYHIIIU-UHFFFAOYSA-N
-23CFCCEEA0F39172_FE46C2E87204C5AC_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,CCDBJLAGBGBTPR-UHFFFAOYSA-N
-2686F17CB795235C_68513F06ABF05226_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=C(C3(O)CCCCC3)C=CC=C4)(=O)=O)C=CC=C5,YNMHPTHRBSYOCT-UHFFFAOYSA-N
-28D1C3FB74B76B47_E125E17FF00D7E5B_6029_UN,OCC1(CCN(CC1)[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=CC=CC=C4,QKPYSFMXRZUZKW-UHFFFAOYSA-N
-28FD7B6531B43570_1CA1F1A244F87CEA_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CCC)CC3)=O,UMTWQGMRVSIBGF-UHFFFAOYSA-N
-28FE28FE67FB6E84_C58883B075D0D941_6029_UN,OC1(CCN(CCC1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,YFDOECIWWMTXDD-UHFFFAOYSA-N
-2983190DF9B420DA_18427965E8F6BC58_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CCCCC4,PWJBMDWJRPRAQJ-UHFFFAOYSA-N
-2AC43DD7AE2E9BB2_BFB1A7EFD023D640_6038_UN,CC(COC(CCC1=CC=C(C(OC)=O)[NH]1)=O)C(=O)C,JMCAKBSSEWDBLI-UHFFFAOYSA-N
-2C253E2D5A43FB71_FE9643C3FDBCAE1B_6027_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C4=CC=C(C)C=C4)(=O)=O,CLLOUWIOPCWXLC-UHFFFAOYSA-N
-2CC01E939DE77C29_DD81C9EE8EB1D27D_6038_UN,CC[C@H](C)[C@H](NC(C1=NC(=NC(=N1)N(C)C)N)=O)CN(C)C,HMFTWIDFNTVJDR-VHSXEESVSA-N
-2DB7DA98D9D3E68C_CFF7F0A518AAB676_6039_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OCC3=NC2=C(C=CC(=C2)C)S3,XHIYOVDQVSDLTE-UHFFFAOYSA-N
-2DDEDD17ACA00ACA_93A4A48FFE45E8DD_7019_UN,CC(C=CC1=C(N=N[N]1C)C2=CC=CC=C2)C3CCC3,XBBTXTZRCNWYKE-UHFFFAOYSA-N
-2E862C6540D3E269_DC41EFFD18D0FA41_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CNCC2=NC=C[N]2C3)=O,RYBFWGHJIFQRBT-UHFFFAOYSA-N
-2F0555FB968011BC_6083AE2F6FBC9766_6029_UN,C(C1CN(C1)[S](C2=CC=C(C=C2)C3(CCCCC3)C#N)(=O)=O)C4=CC=NC=C4,DFYDOGJUDCASGH-UHFFFAOYSA-N
-30053D5040BDC085_4423AA159CF09A95_6029_UN,OC1(CN(C1)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,NMYLBXSKUPEQIF-UHFFFAOYSA-N
-3455090ECFDA2DED_056A24FF48F629A6_7022_UN,C1(=CC2=C(C=C1)OCCC2)NC3=C(C(C)C)[N](N=C3)C,HMWKKVLFOFNLSB-UHFFFAOYSA-N
-3455090ECFDA2DED_D82B7F017AC21D0D_6041_UN,C1(=CC2=C(C=C1)OCCC2)NC3=C(C(C)C)[N](N=C3)C,HMWKKVLFOFNLSB-UHFFFAOYSA-N
-367ECCAFB1BA5750_8F37800C849819E0_6029_UN,N(CC1(CCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,LKPNQZZPJSNVMW-UHFFFAOYSA-N
-37224514B76B8A1B_730088CA116F3A7C_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(C(C)C)C=CC=C2C(C)C)(=O)=O,KJCCIBVZDFQPMX-UHFFFAOYSA-N
-3A477E98AFB211EA_2BF25BC6813CEECE_6041_UN,C1(=CC=C(C=C1)SC#N)NC(C)CC3=NC2=C(C=CC=C2)S3,XAMHHOOPEQYODW-UHFFFAOYSA-N
-3E934959F2A181D2_076F0CC4516BC0F0_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CCC4)C5=CC=NC=C5,NJQIBUWKKCSPDU-UHFFFAOYSA-N
-3F561467B96BD48C_15C4985DAFFADD18_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=C(C)C=NC(=N3)N4CCOCC4)=O,YMRUORYFRXFFBF-UHFFFAOYSA-N
-4221EE8E6CD052D6_263BC93331AC27AC_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC(C(C(C)C)(C)C)=O,HYOCLGNRKFBTLE-QOOHGWKCSA-N
-44F1C07D92B6BC1D_E2EFE77C5CF558FB_6003_DP,N2CC(=CCOC1=C(C=C([N](=O)=O)C(=C1)OC(F)F)F)C2,SNABBHYRDRXHNX-UHFFFAOYSA-N
-45E24BA43AF5F9F1_DD11D25411FFDC12_6029_UN,N(CC2CCN(CC1=CC=NC=C1)CC2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,CLZVQXRMNLRDRV-UHFFFAOYSA-N
-476D287534DB373A_1480F8ED5A4B6C57_6029_UN,C1N(CCC(C1)N2CC3=C(CC2)C=CC=C3)[S](C4=CC=CC(=C4)C5(C)CC5)(=O)=O,OFVJPXASMXPMIX-UHFFFAOYSA-N
-4781BE76B89838F0_66F0FE0E22F7932E_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=C(C)C=CC=C3)(=O)=O,TXWUSNJNBQYNHD-UHFFFAOYSA-N
-47A7899F192A2B01_197734325DEBF5F3_6029_UN,C(C1CCN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,TYSKGCBHTPDXSC-UHFFFAOYSA-N
-48541F7E84692564_D0E7A24D11619CDE_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(C4)C5=NC=CC=C5,FYBMTEUGMKJPAM-UHFFFAOYSA-N
-48718E05836782C6_0BD185C7CA069B37_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,VTDOFMWQZBJOFJ-UHFFFAOYSA-N
-4B7ECA39D72F7381_D1830CE08F39BC32_6029_UN,N(CCC1=CCCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,GIQASUXRJKGIGT-UHFFFAOYSA-N
-4BAB1BDE561107FE_A5DEB4DAF8364B85_6029_UN,C1N(CC=C(C1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,GPODFEGFTHXKDD-UHFFFAOYSA-N
-4C75F9EEE499BD87_BA60BB63189539D2_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,ZKQAFGQERPAIGU-UHFFFAOYSA-N
-4D83A301445BC279_38F584189FB0391C_6038_UN,N(CCN1C(NC(C=C1)=O)=O)C(CCC(N(C)C)=O)=O,ZZSRCEIHZJSXOU-UHFFFAOYSA-N
-4D9822F6536B4D1B_061E40612A357EB3_6041_UN,FC1=CC=C(C=C1)C2=N[NH]C=C2NC3=C[N](C)N=C3C(=O)N4CCOCC4,NWTVMSOBYDENJU-UHFFFAOYSA-N
-4E0724C633DF5F0C_E3F6FF4B39E652D2_6041_UN,CC2=NC1=C(C(=CN=C1)NCCCCCC(N(C)C)=O)[N]2C,OSTJRVMSACLWEZ-UHFFFAOYSA-N
-500D3F935EBF15A5_3C4181B76C50D2E2_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=C(Cl)C=C3CCCC3=C4)(=O)=O,ISMJCKFWCHNXBC-UHFFFAOYSA-N
-524058102DB672C5_97FF7BCFD2E597E1_6029_UN,C(C1CN(C1)[S](C2=CC=C(C=C2)C3(CCCCCC3)C#N)(=O)=O)C4=CC=NC=C4,CCOBMQJVQNPVEZ-UHFFFAOYSA-N
-5292F5190C8FA7BC_5F71B8D4673AC237_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CCOCC3)C=C4)(=O)=O,ODYPAYFWMCTOEQ-UHFFFAOYSA-N
-534C6D25924078D7_1AD628F7F46D8895_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O)C=CC=C5,RLFWYDMFEYAWFN-UHFFFAOYSA-N
-540EEDA86E911EE0_A9585773FB0F882C_6029_UN,OC1(CCN(CC1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)CC4=NC=CC=C4,DPBOAPVKYKLQPP-UHFFFAOYSA-N
-56B6CB04FCD4B70E_BDBF3622D7FB84A7_6038_UN,CC(C)(COC(C1(C(N(C)C)=O)CC1)=O)C2=N[NH]C=C2,JAIPCJXFIHXXGF-UHFFFAOYSA-N
-56FA0EDCD6E39A66_097E5797A0437D23_6038_UN,CN(C)C1=C(C=NC=C1)NC(C2(CCN(C)C)CC2)=O,LGNUUFZRVLOOTD-UHFFFAOYSA-N
-57E70E67341B5A35_5283357A0878C4FA_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC4(C3=C(C)C=CC=C3)CCCCC4,MJQQQXCEOZKNDE-UHFFFAOYSA-N
-590C69AA4EF78067_FF60D708BE71FD59_6041_UN,CC1=NN=C([N]1C2CC2)NC3=CC(=C(N(C)C)C=C3)F,OWHRWJWEQCZFRK-UHFFFAOYSA-N
-59509B96FEE1297E_A7E1E7F0569380C2_6041_UN,CC1=NC(=C(C)[N]1C)N[C@@H]3C2=CC=CC(=C2OCC3)C,BFRKAQFHRXBGJM-AWEZNQCLSA-N
-5AF1543BA58E0EF0_0DDA1DAD5EB3B8C7_7022_UN,CC1=C(C=C(C(=C1)N2N=C(N(C)C2=O)C3=CC4=C(C=C3)OCO4)Cl)C5CC5,GHPMSSNCQUHTNE-UHFFFAOYSA-N
-5B3F49C958C4D384_EC1AE61FE64F7CA5_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2(C(N(C)C)=O)CC2)[N]3CC4=CC=CO4,JTPHISKAFCQNHT-UHFFFAOYSA-N
-5B84E6324305238E_CAC1BC46E3C70C85_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CN=C(N=C2)C3CCC3)(=O)=O,XTWWWTJDYSDICQ-UHFFFAOYSA-N
-5B9174C053724B79_D5856BED6EE8BF03_7019_UN,CC1(C)COC(=N1)C=CC2=CC(=C([N](=O)=O)C=C2)OC3CC3,MCPJNNMTCZUSLC-UHFFFAOYSA-N
-5CBA1B3A7C987AC0_81BDA5290205E093_6029_UN,FC1CN(CCCC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,WNPSZAPOYSQWDV-UHFFFAOYSA-N
-5F9811E7AF405621_2326EC2A0D26ABB3_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C(=CC(=C2)C)Br)F)=O,KODSHAFZLMCONO-UHFFFAOYSA-N
-5F9C32B200D7FFFD_F2438F8C3933A549_6039_UN,O(C2CN1C=CC=CC1=NC2)CC3=CN=C(N(C)C)S3,FAQWWJRBEIZSRW-UHFFFAOYSA-N
-6028F657E4AF6A1E_2A0599A1A0BC3384_6029_UN,OCC1(CCN(CC1)[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=CC=CC=C4,MZSQCROWCJMNHC-UHFFFAOYSA-N
-605C98FF5DB9A12D_BE2FD444AC664F98_6038_UN,CC1=C(C(=CC=N1)OC(C2CCN(C(N(C)C)=O)CC2)=O)[N](=O)=O,PYYYYWNXOXJFBR-UHFFFAOYSA-N
-6100E0E598001D9E_530D890919C97DB5_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC(=C(C=C3)C#N)C)(=O)=O,OPJPUSSHPZPGKK-UHFFFAOYSA-N
-61C873947B19A38A_5471A40D750ACF00_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(C4)C5=NC=CN=C5,QEVSMYKUKXOQQK-UHFFFAOYSA-N
-624FB56D68E4A170_AEEF957F298B241F_6038_UN,CC[C@H](C)[C@H](NC(CN1C(CN(C)C1=O)=O)=O)CN(C)C,IRWLYUBMMQIAEW-WDEREUQCSA-N
-625B94A54E82A8DC_07B5ECF3D474CD1E_6028_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C#N)(=O)=O,ZBVKWVZHROSYQK-UHFFFAOYSA-N
-62A7F8B110C66F37_946B3549F28B45EF_6038_UN,COC1=CC3=C(C(=C1)OC)C(NC(C2=CN=C(N(C)C)C=N2)=O)CCO3,SPMZKYGPSVSOIQ-UHFFFAOYSA-N
-63F734C7A1F4FF6A_B673B20886BD0DE6_7019_UN,C(C1=NC(=N[NH]1)C2CC2)=CC3=C(N(C)C)C(=C(C=C3)F)F,RNYBYLOBYLSMRJ-UHFFFAOYSA-N
-64A80CA876482AD1_18827A6C5D3E2482_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,ZVAKYBVXWRKAPN-UHFFFAOYSA-N
-64DDA90633976D92_322F1B3E0CACED07_6035_UN,COC(=O)C(OC1=C([S](C)(=O)=O)C=CC=C1)C2CC(F)(F)C2,DIHOBBLJJSHEMH-UHFFFAOYSA-N
-6ABAEBEA1961FDF0_7B847BEA883A8D9F_6029_UN,CN(CC1(CC1)O)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,VYPISBGIDROKKU-UHFFFAOYSA-N
-6C688CAFC7AAC965_EFEA5D531A1A48E1_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)Br)(=O)=O,APOOJBXFLPJTJN-UHFFFAOYSA-N
-6CD152EA035FD128_5D15BCB86CE8030E_6041_UN,OC(=O)C2=C(C=C1C=CC=CC1=C2F)NC3=CC(=C(C)C=C3)C4=NN=N[N]4C5CC5,SVSDKGLIXWOLJE-UHFFFAOYSA-N
-6FAD17DD2F0A2172_063B2041EEB65548_6038_UN,CC(OC(CC1=C(C=C(N(C)C)C=C1C)C)=O)C2=NN=N[N]2C,QHOGHOHNCDHXMP-UHFFFAOYSA-N
-6FBAA78273A77C11_A066CA2F9D3F718A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)N3C4=C(CCCC3)N=CC=C4,MHWJDYHLJKEITJ-UHFFFAOYSA-N
-70A66D64266D1E63_09BCA219411AFA8A_6029_DP,OC1(CCN(CC1)[S](C3=CC2=C(NCCC2)C=C3F)(=O)=O)C4=CC=CC=C4,HEUMMHCAQJPMDR-UHFFFAOYSA-N
-71C55EDC4700AE0A_2DD0A5D1275A042A_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(=CC4)C5=NC=CN=C5,SRNZBSLOETUPIV-UHFFFAOYSA-N
-730D6DEE686600A5_5332DA4BA4B33E51_6029_UN,N(C1(CCCCCC1)C2CC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,MBOJVQUOZPQTPU-UHFFFAOYSA-N
-738CB392917E37E7_63ACC1070ADEDA2B_7013_UN,CC(C)[N]2C1=CC=C(C=C1N=C2[C@@H]3C[C@H]3C4=CC=CC=C4)C,MMMUDAIGPYUMPT-DLBZAZTESA-N
-7663F12632AA6F75_A708E5D401C93C42_6027_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,MFECEVVRSGVGAJ-UHFFFAOYSA-N
-79B4B7D304469FD7_56CF7B0DD7BAC7AB_6038_UN,N(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)C(C2(CCN(C)C)CCCC2)=O,JRWFQCOXTGRMRJ-UHFFFAOYSA-N
-7B36C960487E6356_6F0C16E04812BA15_6029_UN,OC1(CCN(CCC1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,JBZXUUAGRDKKAR-UHFFFAOYSA-N
-7D4A4A43C6AEAFAA_8C4D8AA06CB891E0_6003_UN,CCOC(=O)C2=NOC(COC1=CC=C(OC)C=C1[N](=O)=O)C2,CXCBAWZHJBGLBU-UHFFFAOYSA-N
-7E6CBC559D71819A_1623DE89CBD7645B_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O)C5=CC=CC=C5,LTRILHGUAKBXLQ-UHFFFAOYSA-N
-7EDE7587BFD7236E_4F23B8A720206017_6029_UN,C1CC(CCN1[S](C3=C2CCCC2=C(Cl)C=C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,NQZSGOGEJWIILL-UHFFFAOYSA-N
-7F9CBDEF7E66E4F3_0E0AD2BCFFEC490E_6038_UN,C[C@H](OC(C1=N[NH]C(=C1)C2(C)CC2)=O)CC(=O)N(C)C,VCLAZCPVXPMMRD-VIFPVBQESA-N
-80C61A50E7999BE5_6BE3A54712B0AFEA_6038_DP,CCOC(=O)C(NC(C(C(N(C)C)=O)(C)C)=O)CC1CNC1,QATDHVISQRIIPK-UHFFFAOYSA-N
-8761DA69F6618806_4E9903C22C811B5B_6027_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,JHRUPDYVJSFAMM-UHFFFAOYSA-N
-89F60DE2BE76F2BA_B4EB985871761CDF_6026_DP,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)NCC3=CC(=NC=C3)N4CCNCC4,MJVUDJUKTAHKKD-UHFFFAOYSA-N
-8BBF2581006AEF26_750B8F933517FC71_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,MXUDRXDDJGZXRU-RUCARUNLSA-N
-8C2666D98862F40A_678F0E284B87C88B_6029_UN,C(C1CCN(CC1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,WRJZIDJNPONJHC-UHFFFAOYSA-N
-8DCE1B79848FAB14_63D079BD77A38E5E_6029_UN,C1N(CC=C(C1)C2=NC=CC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,HJEOWJYULULIBC-UHFFFAOYSA-N
-8DE3DF5A2FD41E76_3976D705016D177A_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C(CC(OC)=O)(C)C)=O,QKIPCIVGWLTESU-UHFFFAOYSA-N
-8E5DEFE8B3D1F0C8_3A4554301A0F0CDE_6003_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C3=CC=CC=C3C(NO)=N,PVJAUVVGRJRTEJ-UHFFFAOYSA-N
-8E6DC93794525984_28F199E3B9602C9C_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=CC=C(C3(F)CCOCC3)C=C4)(=O)=O)C=CC=C5,LQBAGBHRRGJILK-UHFFFAOYSA-N
-8E75C61237F9B235_C67C126ED74992AB_7022_UN,CC1=C(C(=CC=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C)Br,IIFQBFBAASOODR-UHFFFAOYSA-N
-8FAB1326325AE18F_93B0AA3ADF73F933_7019_UN,CC(C=CC1=C(OC)C(=C(C=C1)Br)F)C2=CC=CC=C2,BCYXSBPQEJJOGJ-UHFFFAOYSA-N
-91F7828866781834_543BF520C7ED3464_6039_UN,CCC(=C(N=O)C(=O)OC)OCC(OC)C1=CC=CC=C1,GXHBRDYHEVZYKG-UHFFFAOYSA-N
-92F0BCEFECB2A833_8CD1623CC1069F61_6039_UN,CC3(OCC2=CC=C([S](C1=CC=C(C)C=C1)(=O)=O)C=C2)CCCCC34CCCCC4,PKZWCBKJZBTAEJ-UHFFFAOYSA-N
-955B8CC8546F4160_8E84F700D98CD8A9_6029_UN,OCC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCCCC3)C#N)(=O)=O)C4=CC=CC=C4,IPOVCUWSJBKDLM-UHFFFAOYSA-N
-95697B48C5202C33_94419F5F0D0B7017_6035_UN,CCOC(=O)C2=NOC(COC1=C(C(OC)=O)C=CC=C1[N](=O)=O)C2,GYGHMLNRDREHRN-UHFFFAOYSA-N
-97A2D862B8B8EA75_E5A326D6CCE963DC_6038_UN,CCOC(=O)C2(COC(CCC(NC1=C(C(N)=O)C=CS1)=O)=O)CC2,RYYFFIGASVBOCP-UHFFFAOYSA-N
-98603F63BE5B05FC_CA3444C128712586_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,XQYWQSMFLMGNTQ-UHFFFAOYSA-N
-9877E318D2CC9F6F_8027F5FD34E5F37B_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C[N](=CC=C3)=O,RHULQHDLSIJGBK-UHFFFAOYSA-N
-9A593CD98A5DBDD3_055F541664573A0F_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C(C)C)C=CC(=C3)Cl)(=O)=O,ZPIHLWSWJIMDGM-UHFFFAOYSA-N
-9A6CEFE7B25A4059_1A808519191F5BF3_6029_UN,OCC1(CN(CCC1)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O)O,OVIFGNAOKWYNPV-UHFFFAOYSA-N
-9A98012729A44BB6_FD0837CFEB0A3C74_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OCC2CCCCC2)N3CCC(CC3)C4=C5C(=NC=C4)C=CC=C5,CPOJVJUCJKHGDG-UHFFFAOYSA-N
-9ABC4A8E5F6BBD0E_BC5C1B58062C3298_6041_UN,CC1=NC(=C(C)[N]1C)NC3C2=CC=CC(=C2OCC3)C,BFRKAQFHRXBGJM-UHFFFAOYSA-N
-9B6017245F5EE57D_C0C20E81F8D47BB3_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,LLEMIXXFTACEBO-MAEOIBBWSA-N
-9B9B6182FC819BC1_60DED8778A0E061E_2267_UN,C(#CC2=NC1=C(C=CC=C1)S2)C3=C(C=C(C(C)C)C=C3)C(C)C,LAICMQIUCAWBLP-UHFFFAOYSA-N
-9DC1DE27BC118E4F_D738C27F8F855AF7_6038_UN,CC[C@H](C)[C@H](NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CN(C)C,RHLSDZHPWKIIMH-NWDGAFQWSA-N
-9E113385E867DF26_16DFB42F002F1C2B_7015_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,HULNMJJLTDCJOP-UHFFFAOYSA-N
-9E402196B046C83F_C8A4F7BE23797BB8_6038_UN,N(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)C(C2(CC(OC)=O)CC2)=O,FNDDEWNTIDAPIK-UHFFFAOYSA-N
-9EA6D46ADF513AB2_0F797D0B992152AD_6041_UN,CC1=NC4=C(C(=N1)NC(C)CC2=CC=C(C=C2)N(C)C)C3=C(CCC3)S4,SCDRMTBWZDRFHD-UHFFFAOYSA-N
-9F91FD27CC43B891_F0A23B5390B2745E_6029_UN,N(C1C(CCCC1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,BFMAFXXIPVHGDH-UHFFFAOYSA-N
-A0354A7B187C6FEF_7A47A882BE81F8A4_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC6=C(C3(CCCC3)C4)C=C5OCCOC5=C6,UQQWPZHKVHRMBF-UHFFFAOYSA-N
-A5FE98D21C350473_22410139C086AF0D_6035_UN,CCC3=C(OC2=CC1=C(C(CC(C)(C)O1)=O)C=C2)C(=O)CC3,WPEOEPZJGRTVTH-UHFFFAOYSA-N
-A8B36E72DB19D82F_1615962207C80C8C_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C4(CC4)C#N)F)(=O)=O,NYFYJVKUONLWKY-UHFFFAOYSA-N
-AA5B423E11BAF44B_4E786FCC82593675_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CCCCCC4,VFRSIQYEJZLAPA-UHFFFAOYSA-N
-AB428B469F0A64D9_27A8FC846B03996A_6029_UN,COC1=CC=C(C=C1)C2=CCN(C2)[S](C4=C3CCCC3=CC(=C4)Cl)(=O)=O,NUINAGDIMHNTHB-UHFFFAOYSA-N
-ACC4A7FFB76FCC94_1F45C0A9E180E38A_6029_UN,C1CC2(C1)C(N(C2)[S](C3=CC=C(C=C3)C4(CCCCCC4)C#N)(=O)=O)C5=CN=CC=C5,AICKBEILBSEZEB-UHFFFAOYSA-N
-AD77A29A1E11E242_341DFF22B948716D_6029_UN,N([C@@]1(C[C@H](C1)F)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,OADCXCVPACKADH-SAABIXHNSA-N
-ADD0998B72C1FDC9_579728B625ABAE07_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N4CCC(N3CCCC3)(CC4)C5=CC=CC=C5,MAFINCZEORUINZ-UHFFFAOYSA-N
-AE3E9C292CE67D4B_42B1D2C80FB0DAF2_6029_UN,C1N(CC=C(C1)C2=CN=CC=C2)[S](C3=CC=C(C=C3)C4(CCCC4)C#N)(=O)=O,HLMPRMSRHFJOBR-UHFFFAOYSA-N
-B20C6E232683F0AC_EFDABB322EFB2680_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=C4)(=O)=O,KHPIPTGTXNYNNK-XYWHTSSQSA-N
-B3F48AD521516EED_B7DC31678FEF919E_6038_UN,CCOC(=O)[C@@H](NC(CCCC(N(C)C)=O)=O)CC1=C[NH]C=N1,OORGQFIIRDDIBL-LBPRGKRZSA-N
-B879FBE03A3B2607_1EE2C9BF8EC2F915_6029_UN,C1N(CC=C(C1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,ZTRDQBMINWGVCT-UHFFFAOYSA-N
-B8DD80CE22804C66_FBF18347525228DD_6003_UN,CCOC(=O)C2=NOC(COC1=CC=C(C(C)=O)C=C1[N](=O)=O)C2,VZLGNXMRKFIMPZ-UHFFFAOYSA-N
-B942823A0A67EF19_BD89617537FA016F_6034_UN,O=[N](=O)C1=CN(C(=C1)C(=O)CCl)C2=C(C(OCC)=O)CNC2=O,CJVKYANSGBOEMB-UHFFFAOYSA-N
-BA7F358B9307B055_BD04079E10BF9F89_6029_UN,N(CC1(CC1)C2CC2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,QHAQPNAQSJUHTH-UHFFFAOYSA-N
-BC9E8026431AB942_5A2B09FA238C4312_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=NC(=N[NH]2)C3CCN(C)CC3)=O,FRKKBPARRGKCSW-UHFFFAOYSA-N
-BCF63F89C2888428_ADC547F091EAE772_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,XHFOBPQXTQNYPJ-UHFFFAOYSA-N
-BD289F6A0508DA48_3572EB2FCA2E5494_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(CC)C=CC(=C2)F)=O,LCBFQFWOYTVNHZ-UHFFFAOYSA-N
-BE0AA7F806DE01B9_F0A3A7F40F53F5B5_6029_UN,FC1(CCN(CC1)[S](C3=CC2=C(C(C)(C)CCC2=O)C=C3)(=O)=O)C4=CC=CC=C4,MJXWLFOCCRCHLQ-UHFFFAOYSA-N
-BE2E5707192BB419_F962FE3802DD6930_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C4(CC4)C#N)F)(=O)=O,OCSHJGKUVWFBTJ-UHFFFAOYSA-N
-BFF850EA3AD2C072_398EF510AE82FC5C_6006_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)C3=C(C)C=CC4=C3C=CC=N4,IOIDHLSJDDQPJN-UHFFFAOYSA-N
-C127A7131FCBDC90_005FA97CEDB3904A_6029_UN,C(C1CCN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CC=NC=C4,RUQFVIPGQXOOQH-UHFFFAOYSA-N
-C14652ADD3E8964D_56C0E7E401ADD472_6041_UN,C2(=C1COCC1=NC=N2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,PYJANRCEUIJKNK-UHFFFAOYSA-N
-C31B3BAE25DC294F_5A7F9CF7C25253EF_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3CCN(C(N(C)C)=O)CC3)=O,YBNXROBULSYNRF-KRWDZBQOSA-N
-C3225B2EE18A4752_DF5C87FF5F6BAD0D_6029_UN,BrC1C2(C1)CCN(CC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,YEEVMURAFFPHSZ-UHFFFAOYSA-N
-C47013B65102CAF7_B508DC0E6B2AD8F0_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C2CCN(C(C(C)(C)C)=O)CC2)=O,YTBAFIIAYHHBSR-UHFFFAOYSA-N
-C4874CFA5BB1998C_3E8500C461588714_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(CC(C(C)C)O)C=CC=C2)(=O)=O,ATYJQFVJIJWNRN-UHFFFAOYSA-N
-C4FFEA7890951D53_0EAD244AE2393B73_6039_UN,CC2=NC1=C(C=CC(=C1)OCCCCC(N(C)C)=O)O2,IWWXOXPRVGQADA-UHFFFAOYSA-N
-C50D31874AD64760_FDFAF253A59CD6D2_6038_UN,CCOC(=O)C(NC(C(C(N(C)C)=O)(C)C)=O)C1CC1,NXGNCDQIMUMVMB-UHFFFAOYSA-N
-C578CA07175528E1_0B485B26968663F7_6038_UN,CC1=CC(=C(C=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=C(C=C3)Cl)Cl)CC4)C,DQKZEQKFVDMYBN-UHFFFAOYSA-N
-C5DA81432E37A1A9_661ED1F54153C3D5_6029_UN,OC1(CCN(CCC1)[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CC=CC=C4,PFIQTPNKJMPDFV-UHFFFAOYSA-N
-C5F130597CC4303D_9B52B666AEE2CBF3_6003_UN,O([C@@H]1CNC(=O)C1)C2=C(C(=CC=C2)CC(OC)=O)[N](=O)=O,GNOZPTQZNQIJPT-VIFPVBQESA-N
-C657A781BA08C6AA_136F9B0718415D24_6038_UN,CCOC1=C(C=CC(=C1)NC(=O)C2CC(=O)NC(=O)C2)OC,YEYVAJNNRSJFTN-UHFFFAOYSA-N
-C8912667440CF982_BEC191B75A5132E4_6041_UN,C[N]1C=C(C2=C1C=CC=N2)NC(C)C3=NN=C4CCC[N]34,MKLVIGREDXKMFR-UHFFFAOYSA-N
-CA050786ACFDFF6E_FB73275806C3FAB1_6038_UN,CC(NC(C1(C(N(C)C)=O)CC1)=O)C2=NNC(=O)N2C,ACRXMKKGYFBLTL-UHFFFAOYSA-N
-CD94A2BE7E2DCA3B_E957227D5B5961DE_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=NC=C(N(C)C)C=C2)=O,ZBOAQUSDFVMRQH-SNVBAGLBSA-N
-CE598635EAF85B7D_10C9126BB0326E4A_6029_UN,OC1(CN(C1)[S](C2=CC=C(C=C2)C3(CCCCCC3)C#N)(=O)=O)C4=CN=CC=C4,YZPNPEWDRVJVBQ-UHFFFAOYSA-N
-CFF8046523CCC7CE_27895AC88457D389_6041_UN,C3(=NC2=C(C=C1OCOC1=C2)S3)NC(C)CC4=C[N](C)C5=C4C=CC=C5,SSHJPMQHRGUKCP-UHFFFAOYSA-N
-CFFAF6CB29095415_EBC25D75AB6C7341_6029_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C#C)(=O)=O,ULPJNDFZXNISQS-UHFFFAOYSA-N
-D0C88847F68E7460_CC8FD7BB5C94EA36_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C)C3=CC4=C(C=C3)C=C[N]4C,AIKBECNZQDCQDO-UHFFFAOYSA-N
-D188D78FBCD919F9_CC6D5B106927FC6E_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=NC=CC(=C3)C)(=O)=O,BYGXGQBPGREFLI-UHFFFAOYSA-N
-D1B3CA7F547AB7F1_5D2AF560A32DA42E_6029_UN,OC1(CCN(CC1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,VGYAKHHVXQKEAA-UHFFFAOYSA-N
-D26FC25EFBD0526E_2371CFE4E9888E3E_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3CC(F)(F)C3)C=C4)(=O)=O,IVGIBYBYKNMBCR-UHFFFAOYSA-N
-D2C7C756C55481C7_551CF79AA37F322A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CCCC4,QONBIGWKGZWFNE-UHFFFAOYSA-N
-D2E9AE357EE6676F_CDDEC5CCF4625141_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)Cl)(=O)=O,DFAMRILSFUPLJY-UHFFFAOYSA-N
-D36335213CEAB53A_1C9C9C885C18E880_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H](C(N(OC)C)=O)C)N(C)C,LLTGEBQYLGUUFJ-SECBINFHSA-N
-D3B2D2FA0A1C2005_142985AE82D81A47_6028_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC(=C(C=C3)C#N)C)(=O)=O,VJZCJYQNMNLTTC-UHFFFAOYSA-N
-D56675C48FEFC8CC_BC73A8DC776A4EA1_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)CC4=CN=CC=C4,IIWQLYHKMGCAOO-UHFFFAOYSA-N
-D5A62BFFBA914E7F_BC37F66B5495375C_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)CCCC2)N3CCC(=CC3)C4=C5C(=CN=C4)C=CC=C5,KJDSQHZRNBAVLW-UHFFFAOYSA-N
-D698658D55436136_35BBB75D54651137_6038_UN,CCOC(=O)C(NC(C1=C(C(OC)=O)SC=C1)=O)CC(=O)C,CELMAGGTOOSMQS-UHFFFAOYSA-N
-D9B420C3F5A2B989_8EDD0F79720E70B3_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCC3,YEZLEWAAIGXLQR-UHFFFAOYSA-N
-DC659A26E31D40B0_9C540AA32C6832CA_6029_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O)C=CC=C5,RCCSEQBZVPHVDC-UHFFFAOYSA-N
-DEA32553EA208609_BAFA023E7B30A24E_6039_DP,COC(=O)[C@@H]2C[C@H](OCC(NC1=CC=CC(=C1)C(N(C)C)=O)=O)CN2,KSWXMOACTDLJNE-KBPBESRZSA-N
-DFDB93E81D0D7044_ABBE1D55DA1B43C7_6029_UN,N(C1(CCC1)C2=CN=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,OKBOBEVLCDNZGY-UHFFFAOYSA-N
-E15F513EC9077AB8_6C55AE7CAD94C8A4_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC=C(C4)C5=NC=CC=C5,GKOSKGMNNBOCLL-UHFFFAOYSA-N
-E16382B77786F5B0_BB57037B8407E012_7013_UN,N1=C(CCC(N(C)C)=O)[N](C2=C1C(=CC=C2)F)C3CC3,BIUFWLJFLQZBBC-UHFFFAOYSA-N
-E1D46611C848C020_7D56F0C60068B47A_6038_UN,COC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)NC(=O)C2,ZASPQYLMWXJGNU-UHFFFAOYSA-N
-E2104AB50E5C3A12_7F6F3695C5863DA1_6028_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=C(C=C(C)C=C3)C#N)(=O)=O,OWYPSRKFPMMJNV-UHFFFAOYSA-N
-E33C51FBD9B8A4F9_587B23176E35D782_7015_UN,N(C(C1CCCCC1)C2=CN=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,IFNIFHHLEBLPGI-UHFFFAOYSA-N
-E4F1710B2D38EE3F_23F46521166DB0BD_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,YNSHEWBYYOAUOB-UHFFFAOYSA-N
-E4F69C825ABCEF41_728EE71084145A54_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C(CCC(OC)=O)(C)C)=O,GDHFSEUJQRTESO-UHFFFAOYSA-N
-E65352E8CD17168E_2B585E936095C820_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3C(C4=C(OC3)C=CC=C4)=O,HRIIZLPAXGSAKO-UHFFFAOYSA-N
-E7271241E52EAAAC_6B06CEA29BF11A6B_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C#N)(=O)=O,SRCVPLLSUQUFFJ-UHFFFAOYSA-N
-E96F0BE290EDD5EC_6B042203D55C3898_6028_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=NC=C(C)C=C3)(=O)=O,DJENOWQUZLBSKD-UHFFFAOYSA-N
-EA6D3441A90B73A3_48C3DA6325F26DF3_6041_UN,O=[N](=O)C1=C(N=C[NH]1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,OJFWEWBQJUOQPV-JTQLQIEISA-N
-EB455C041B02DFFD_B153A99570F1B542_6006_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC6=C(N(C)C)C=CC=C56,ABZISUZOUFUTAG-UHFFFAOYSA-N
-EB8993B0099B744F_4F05514657954CC3_6038_UN,CC(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CCN(C)C,AZUNMUHEQNVRBK-UHFFFAOYSA-N
-EBE198625ED082C7_396BBCB7BA1D5D6C_6029_UN,N(C1(CC1)C2CCCC2)[S](C3=CC=CC4=C3C=C(C)C=C4)(=O)=O,QDULXOVIWNVORL-UHFFFAOYSA-N
-EC37113AB32F4241_44A2C1983FA65C54_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=C(C)C=CC=C3)CCC4,PAWBPDAGHGVIJE-UHFFFAOYSA-N
-EC6F83E12D3AA2D0_FD994C6F83CA4D22_6041_UN,C1(=CC=C(C=C1)C3CN2CCSC2=N3)NC(C)C4=NN=C[N]4C,LIMPMSHBDIQZTE-UHFFFAOYSA-N
-EE22F65EA8E75154_CCAA0054D860B63A_6039_UN,O(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)CC2=C(C(OCC)=O)CNC(N2)=O,PGPJMJXFJOXFNR-UHFFFAOYSA-N
-EF11E03733E0D681_18F11C73C37E56B2_6029_UN,OC1(CCN(CC1)[S](C2=C(C)C3=C(C=C2)CCC3)(=O)=O)C4=C(C=CC=C4)Cl,FJNNPOBUAAJCOW-UHFFFAOYSA-N
-F2C3C0E8A86B1A1D_B69F72C4DD1443E4_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,MYSYBUNMPCKSBE-UHFFFAOYSA-N
-F2D22D603E426DC8_0B16B74270392CB3_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=NC=C(N(C)C)C=C3)=O,QUYPJZFDCXFCCV-HNNXBMFYSA-N
-F3734139A62E4B20_EEEB90C4BA9DCA04_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCC3(C2=C(C)C=CC=C2)CCCCC3,UTRLEBDQBANPNK-UHFFFAOYSA-N
-F5B38FF09FE0DE26_9427350FAE2E5425_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,FCOGJBWTCJRDAN-UHFFFAOYSA-N
-F6D8C5054481A31F_3AD2E985BE83890F_6003_UN,CC2(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)CCC(F)(F)CC2,AQOLREWYTBNTPJ-UHFFFAOYSA-N
-F7BDFA941FBE992A_A26676707636EF4D_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C)C4=NC3=C(C=CC=C3)[N]4C,KXFJMVBFAFGBEC-UHFFFAOYSA-N
-FC217EFAB8934979_CC571A527F9946CE_6029_UN,C1N(CC=C(C1)C2=CN=CC=C2)[S](C3=C(C=CC=C3)C4(CC4)C#N)(=O)=O,FGESMBOMVQIVLT-UHFFFAOYSA-N
-FC6BB62EFAEB296C_6CE22463E56601B1_6031_UN,C[N]1C=C([N](=O)=O)C(=N1)CC(=O)OCC2(CC(N(C)C)=O)CC2,WDLVBAPGXLVXOY-UHFFFAOYSA-N
-FCD8482D003EF9F4_E5DE6AFD25FFEFF6_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=C(CO)C=CC=C3)(=O)=O)C4=CC=CC=C4,KUXQSWJXIVKVHH-UHFFFAOYSA-N
-FD028C055372213E_546F5DCFFFCCD54D_6041_UN,C2(=C1CCOC1=NC=N2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,ROAXDJWNOUALBW-UHFFFAOYSA-N
-FEFCFCA5ABD413D1_BFDE641EFDC0E30E_7019_UN,C(CC1(CCC#C)N=N1)=CC2=C([N](=O)=O)C=C(C(=C2)Br)Cl,IJKIOWBGKUBNFF-UHFFFAOYSA-N
-FF304D3B16C64559_37778068E673D4B0_6029_UN,N(C1CCCC1CC2=NC=CC=C2)[S](C3=CC=C(CO)C=C3)(=O)=O,WYMRAENJTGFXIT-UHFFFAOYSA-N
-rxn:2:108006:73700,CN(C1CCC(Nc2ccc(C3CCC3)cc2)CC1)C1CCS(=O)(=O)C1,ITPGNXJYFHJZFC-UHFFFAOYSA-N
-rxn:2:139751:121598,CC1CCC(CN2CC[C@H](NC(c3cccc(S(C)(=O)=O)c3)C3CC3)C2)CC1,NAOICSIOBXWPQA-NINWBTTQSA-N
-rxn:2:86393:166005,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,NQDUBEKUHGEXAL-UHFFFAOYSA-N
-rxn:2:95007:151416,CC1CCC(CNC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)(N(C)C)CC1,ZGVCSUIEYTTXAN-UHFFFAOYSA-N
-rxn:2:95007:99502,CC1CCC(CNC2CC(CS(=O)(=O)c3ccccc3)C2)(N(C)C)CC1,LLZRXDOAYXAVPL-UHFFFAOYSA-N
-00910753F67064A8_7287098F2EED12F6_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C=C(C)C=C3C)C,HCECWLQWLMFNQT-UHFFFAOYSA-N
-021FBE1D0CC3892C_8FC7075EDCF97D64_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,ONQPOFKLCYWMNW-UHFFFAOYSA-N
-0275E890ACFC8B40_B2960B99B69F1A67_6038_UN,CC1=CC(=C(C=C1)C)C(=O)CNC(=O)C2=CN=C(N=C2)N3CCOCC3,VGVQVBIADVSPMJ-UHFFFAOYSA-N
-02ACEC7459F41194_8CCF08F28D94DF8C_6029_UN,CC1CN(CCN1[S](C2=NC3=C(C=C2)SC=C3)(=O)=O)C4=NC(=CC=C4)C,ONWUPAKHOHQRAV-UHFFFAOYSA-N
-042ABBA3030119A2_BF0ADDC3A856C19F_6041_DP,N1CCN(CC1)C(=O)C2=CN=C(N=C2)NC(C(C)C)C3=CC4=C(C=C3)OCCO4,ALFRRUCLPXUUKV-UHFFFAOYSA-N
-0464AA231D750504_9C0F7EAE0C78B204_6029_UN,CC1CN(CCN1[S](C3=C[N](C2=NC=C(F)C=N2)N=C3)(=O)=O)C4=NC(=CC=C4)C,NEYAQRARZDIFNW-UHFFFAOYSA-N
-06928378E980796A_34E8B6C726DB518E_6038_UN,CN(C)C3=NN=C(CNC(C2=NN(C1=CC(=C(C=C1)C)C(OC)=O)C(CC2)=O)=O)[NH]3,YXPSNOGQUSJJQV-UHFFFAOYSA-N
-06B0ED88144ED324_3AF416BB53610092_6038_UN,N(CC1=CC(=CC=C1)N2CCCC2=O)C(C3=C(CC)N=CN=C3)=O,CQERTKCFLQFMHN-UHFFFAOYSA-N
-095A57D6785E3454_C40FDA8D38A63DBA_6029_UN,CC1=C(C=CC=C1)C2CCCCN2[S](C3=CC=C(C=C3)C4=NC=CS4)(=O)=O,KGHWIQKKCQHCAH-UHFFFAOYSA-N
-0AB984A28B6EBE3D_A140432694C52CE5_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,MGQSGCGLKGAZAV-UHFFFAOYSA-N
-0B98141EB5366654_8D4F114AD20984AE_6029_UN,CC(CN[S](C1=CC=C(C=CCO)C=C1)(=O)=O)C2=CC=NC=C2,CAIVOVSRDGIZJQ-UHFFFAOYSA-N
-0C4A8FB9B44D4FBB_0D5701C5FEA46CB2_6038_DP,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OC(CC2(OC)CNC2)=O,QIKWIBNOFJINNL-UHFFFAOYSA-N
-0D84988429FD42A8_684BE22298C95702_6029_UN,CC1=C(C=CC=C1)C2CCCN2[S](C3=CN=C(C=C3)C4=CSC=N4)(=O)=O,JTTGRBMWOCAMPK-UHFFFAOYSA-N
-0DE33EF94012EA2E_6B9ED0B82A798034_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4=CC=NC(=N4)C[S](C)(=O)=O,GUVBLXDXTFCOSN-UHFFFAOYSA-N
-0E50D4A67C563536_55690976F52DC377_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,SOZGSHRZWPPZNK-UHFFFAOYSA-N
-0FAA510097538FC9_0CAB3B6F982BBD77_6029_UN,OC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C4=CC3=C(N=C(C)N=C3O)C=C4)(=O)=O,RXKKGDSUYZIWBK-UHFFFAOYSA-N
-1162727C8B7A323A_B8E35CD1E7D9BF72_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C3=CC(=NC4=C3C=N[N]4C(C)C)C5=CC=CO5)=O,OTLVQYJRMTUIOH-UHFFFAOYSA-N
-125E84E005DFBF42_EF26ABA6A0704493_6038_UN,N(C2=CC1=NC=N[N]1C=C2)C([C@@H](C)C3=CC4=C(C=C3)OCO4)=O,RVVMBASMVXIIIZ-JTQLQIEISA-N
-1429E9D745EFF88D_AF3907141A21EBB0_6038_UN,CCOC(=O)C(=CCNC(C1=CN=C(N(C)C)C=N1)=O)F,WTIRBPSMODOFCS-UHFFFAOYSA-N
-146B744948D78ECD_AAA4DB008AF7F600_6038_UN,CC(OC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CCC2=CC3=C(C=C2)OCO3,JTBKMESEXNNMFE-UHFFFAOYSA-N
-14B5E789CA02E3DB_364E781D687ECD8F_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@@H]4C3=CC=CC(=C3OCC4)C,KVZNJIASCFTHPB-HNNXBMFYSA-N
-14C8F5F6AFF82092_40703A44374F70F4_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C(=CC#N)C(F)F,WHCLMZNQGYVJFA-UHFFFAOYSA-N
-15872549E05FE335_946D21316A5206F6_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(CCC)=C)=O,DVTSZTBGTYOLAA-UHFFFAOYSA-N
-16817371C01B9445_0FE243D4D0ACA0C7_7019_DP,ClC1=CC2=C(C=C1)SC(=N2)C=CCC(CC(C)(C)C)N,UNJGUZVIDIUGGW-UHFFFAOYSA-N
-190391CB6DC32CC3_118F0F61201A70B4_6028_UN,CC1C(CC1N[S](C2=CC(=NC=C2)C)(=O)=O)C3=CC=CC=C3,USFOSACGXJPBKK-UHFFFAOYSA-N
-19272ECE70D9092B_B5E270C77AF6BC1B_6036_UN,C1(CN(C1)C2=NC(=CC=C2)Cl)N([S](C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,DADUMCISCOFEDG-UHFFFAOYSA-N
-1967A653DA446BB3_6B9CD9A3901420C5_6038_UN,CC(COC(CCC1=CN=C(N(C)C)C=C1)=O)C(=O)C,JRKXXFGUZVHCSP-UHFFFAOYSA-N
-19CBB00A74DBA78B_2C51C5D424E72906_6029_UN,CC1=NC=CC(=C1)CCN[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O,UJLJPOHTCLJFNH-UHFFFAOYSA-N
-1C816D37CA3EA736_8CF9C0544BAD944E_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2COC(=O)O2)N3CCCC3=O,RRIBJKJPJUSLDN-UHFFFAOYSA-N
-1E39E449DB857BE1_D739F4A778E0551A_6038_DP,CCN(C(=O)C)C1=NC=C(C=C1)NC([C@@H]2CCCN2)=O,BMFDHXJYUMDTBV-LBPRGKRZSA-N
-202AF601349E39F3_4420863CC607144A_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC(C)C4=CC=C(C=C4)[S](=O)(=O)N(C)C,ILKAAOVPKQFXHR-UHFFFAOYSA-N
-21326C220E275C83_DB8786DD7C865C97_6029_UN,C1CC(=CCN1[S](C2=NC(=N[N]2C)C3=C(C=CC=C3)Cl)(=O)=O)C4=NC=CS4,KWCFWFSAWHAGFH-UHFFFAOYSA-N
-218D6BD19641B9AA_DD52684513F3A563_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CN=C(N=C3)C4CCOCC4,SPBIAMADWVMOFO-UHFFFAOYSA-N
-22C190834AB3365C_8507F89F23FEBF19_6026_UN,[S](=O)(=O)(C1=CN=C(O1)C2CC2)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,OFRLSUBLDNXIKY-UHFFFAOYSA-N
-22CDF609EAC2D8BC_7EC8AB9A6E9997D2_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=CC(=NC4=C3C(=N[N]4C)C)C)=O,HDNXKUBBCHOSSQ-UHFFFAOYSA-N
-22D308D5953BDE11_D976E9E8BD1EC01C_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CN(CC[S](C)(=O)=O)C4=O,ITTXXXGJCYZMDQ-UHFFFAOYSA-N
-257B9AC3E4242C01_B21E9F80555EF83B_6038_UN,CN(C)C2=NN=C(CNC(CC(C)C1=C(C=CC=C1)C)=O)[NH]2,QYMXJHCDHSZTMW-UHFFFAOYSA-N
-26253EF0C9471991_64CE637AE6D5186B_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC(C)=C(C#N)C(=O)O,CDYWQJYEQZYDBW-UHFFFAOYSA-N
-266811DA5FB6F713_3E34284CEC25E6D5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C=C2)C)C(C)=O)=O,ULAVTWCVHTYAEB-LBPRGKRZSA-N
-28B84B0EED127600_5E011E27B725DE44_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C=C(CC)CC)=O,YCZRTSHMNNQPFJ-UHFFFAOYSA-N
-29BE7DFB21E0973D_F29DD2917C9D94D8_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C3(ON=C(C(C)C)C3)C)=O,FKZSGYRVPYQCAW-UHFFFAOYSA-N
-2C0EBB007CD1C981_EE85AA72973D7E72_6038_UN,N(C1=CC(=C(C=C1)F)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,NOKKXFWLRPUMJI-UHFFFAOYSA-N
-2C51BE370CEC9EDD_2A2A002939729462_6029_UN,CC1CN(CCN1[S](C2=CN=C3N=C(Cl)C=C[N]23)(=O)=O)C4=NC(=CC=C4)C,LKBZBEIWBHJTCY-UHFFFAOYSA-N
-2EFD5E88A54E7B0F_3DDE667EA274BBF1_6034_UN,ClC1=CC(=C(C=C1)Cl)N2CC(=O)N(C(=O)C2)CC(=C(C)C)Br,DXTYOLSWVXOFDY-UHFFFAOYSA-N
-2F4DCE2A5D6B446D_6DC9526130C8BC8D_6038_UN,CN(C)C(=O)C1=C(C=C(C=C1)NC(C3(C2=NN=C(C)[N]2CC3)C)=O)C,XJZZQWGOWBITHX-UHFFFAOYSA-N
-317BD9B12854337F_F12118DC766321F7_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=CC(=NC(=C3)C)C)(=O)=O,CDOVYLOXPUAFLK-UHFFFAOYSA-N
-34BA8510379EF277_A866E0CEADB4ADD7_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2C)C)(=O)=O)C3=CSC=C3,SJQHBLPLMOSAQL-UHFFFAOYSA-N
-357C5C5CF2EB3CD2_C94B425CD27AD6D8_6038_UN,CC(C)C1=NN=C(COC(C(C(N(C)C)=O)(C)C)=O)[NH]1,DEPNMMLZTPZDMT-UHFFFAOYSA-N
-362BC2D22B295EC9_2B864382D3B765A7_6029_UN,N(C[C@@H](O)C1=CC=C(C=C1)F)[S](C2=CC(=C(Cl)C=C2)C=C)(=O)=O,MWBZHXAZXXMSOX-MRXNPFEDSA-N
-375034C79A1C0B38_D7C4D6A10AFC3C58_6038_UN,N(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C(CC)=C)=O,GUMVSGXQYGIZET-UHFFFAOYSA-N
-385CB9B5C8811A75_50607E3242142DC0_7015_UN,CN2CCC(CN[S](C1=CC(=CC(=C1)C)C)(=O)=O)CC2,WOYQJTCGVNUMCZ-UHFFFAOYSA-N
-3978E200CD025669_714DFA616FC40E97_6029_UN,C1CN(CCN1[S](C2=CN=C(N=C2)C3CC3)(=O)=O)C4=NSC5=C4C=CC=C5,IMFRPFOWVLZDRU-UHFFFAOYSA-N
-3DBDC60AEE67F08A_9114A26B2C828D8E_6026_UN,CC1=C(C=NC(=C1)Br)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,SXHXCNUMYUUBAS-UHFFFAOYSA-N
-3FC2ED65932D03F1_2142BE31DD4BFACC_6031_UN,CCC[N]1C(=CC(=C1C)C=C(C#N)C(=O)OC2=CC(NN=C2)=O)C,HOTYVNOIFVRITL-UHFFFAOYSA-N
-4082D2C0300AF3E5_8E70397163039838_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)N4CCC[S]4(=O)=O,WGNXQQXIIGLJFX-UHFFFAOYSA-N
-4098E6CEA4F5AF71_D0BE4FF9EA52B9C0_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=C(N=CC=C2)OC3CCC3)(=O)=O,QHCUWIRBEXPZCM-UHFFFAOYSA-N
-430C548091B1634F_CC86582F7BBCA3A1_6036_UN,C(C1=CN=C(C=C1)C2=NC=CC=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,YAZITXIPCQSFQO-UHFFFAOYSA-N
-43CADA536BE9CC40_8DC605912EACD2E3_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2CC(OCC)=O)[N](=O)=O)(=O)=O)C3=NN=CC=N3,TVGOUCYXOPXNTE-UHFFFAOYSA-N
-46AFBB5D25DD9B0E_1CA6B908C8430EC5_6038_UN,CC1=C(C=CC=C1NC(C2(C(N(C)C)=O)CC2)=O)[N]3C=NN=N3,HPTQTTLSIIRSIR-UHFFFAOYSA-N
-4740A349F29907D8_CEEC54D8D9C090DA_6029_UN,OC(C1=C[N](N=C1)[S](C2=NC=C(C=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,VGDDOBIUZKHEKZ-UHFFFAOYSA-N
-480F62229BA63577_70E8E1F28E0A5DBD_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=CC=C4)[S](=O)(=O)N5CCCCCC5,QWAGBWORYZVUHH-UHFFFAOYSA-N
-49E092BA3725E949_6942BB360F5E1F49_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CN=C(N3CCN(CC)CC3)C=C4,DWWMSMCTPZGBJH-UHFFFAOYSA-N
-4A01689F4845C83C_CEF17622691E5BAE_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,MKPKFRILLXJLDM-UHFFFAOYSA-N
-4ACA1EF55267DC46_D9B2A8620D5A226E_6038_DP,OC(=O)CC1=C(C=CC=C1)OC(CSC2=NN=C(C)[NH]2)=O,BKDBEUSSMXLYLC-UHFFFAOYSA-N
-4B3F3DFF720DCB5A_F0FA140C7E3A0A83_6026_UN,[S](=O)(=O)(C1=CC=C(O1)C2CC2)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,LFOOCPYKBADCHX-UHFFFAOYSA-N
-4BC19A5DEA40E570_93EC1C2C93845378_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=NC(=C3)C)C)(=O)=O,TVSKWIAWLYLPPM-UHFFFAOYSA-N
-4D0D2593AC25BA40_A1BBBA9411E36795_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC(C)=CC2=C(C=CC=C2)C(F)(F)F,DIPFNPZHBNIWRA-UHFFFAOYSA-N
-4D25E7EE358494FB_29229AC86A725AA2_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C(N(C)C)=O)C=C(C=C3)C,QJOUVZIDWJFBRF-UHFFFAOYSA-N
-4D26C17543CCCA86_5183E502567B5E54_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,BAPNYEXWICGYNY-UHFFFAOYSA-N
-4E18ECEF897D3711_C9C9BD285D463B79_6029_UN,CC1=NC(=CC=C1)C2CCCN2[S](C3=CC(=CC=C3)C4=NC=CS4)(=O)=O,ULNAVGQJCAFDSJ-UHFFFAOYSA-N
-4EFE4E8B8AC07D46_085A8D814BB21A46_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)C#C)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,XTCMXASBVHKGIM-UHFFFAOYSA-N
-51C1439B8BD916A7_B7BDA84FF7D5B05A_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CN=C([N]3C=CN=C3C)C=C4)=O,UFPYYWCCXYSUJE-UHFFFAOYSA-N
-52348B4D525D6F9E_7D31B65EC98DEFB7_6029_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O,FYGJBVONORIAMB-UHFFFAOYSA-N
-52BECB7719146CAF_BA6809F2E1E9306A_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=CC(=C2)C)(=O)=O,GIUWVSCUXBHSMO-UHFFFAOYSA-N
-53789D863EF28268_B40732353C1E1590_6038_UN,N(CC1=CC=C(C=C1)N2C(OCCC2)=O)C(C3=C(C)C=NC(=N3)C4=N[N](C=C4)C)=O,MGMKHPHTIBJYCP-UHFFFAOYSA-N
-53C8DFCAFF44641F_13E32AC9BF86CE4D_6029_UN,OC1(CN(C1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O)C5=NC=CC=C5,QHSCAUYKJVTVPH-UHFFFAOYSA-N
-53EA2BC1B423D0F0_2081054A7568B0B8_6029_UN,CC1CN(CCN1[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O)C4=NC(=CC=C4)C,MWVIHNJZSPQRCO-UHFFFAOYSA-N
-544E5C249D7364C1_098BF68123D89E86_6035_UN,CC(OC2=CC=C1C=CC=CC1=C2OC)C3=CC=CC=C3,RBQGTBXMTODIMD-UHFFFAOYSA-N
-54C452019493D468_E68BF38180821BAB_6027_DP,N1CCC(CC1)C(CN[S](C2=C(C)C=CC=C2)(=O)=O)C3=CC=CC=C3,MZLYHLFYPJZASW-UHFFFAOYSA-N
-550F590551E86242_F6BBF280F0833FDB_6038_DP,CC(=O)C2=C(C=C1OCOC1=C2)NC(C4(ON=C(C3CNC3)C4)C)=O,DQTYGJYNVJJLMO-UHFFFAOYSA-N
-56ABEB80A7F13567_F326B70BA8EAF4B3_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3=C(N=CC=C3)N4CCCC4,DUISGGFPMZRIMJ-UHFFFAOYSA-N
-56C5D2961B9635A7_A89BB28DDD2E1090_6028_UN,C1C=C(CN1[S](C2=NC(=N[N]2C3=CC=CC=C3)C4CC4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,VTNMWQNVJQWDDR-UHFFFAOYSA-N
-57B0315216418E6D_A2F862F9DDF531F3_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C(C=CC=C4)[S](=O)(=O)N5CCCC5,FZDWUBJTXJEMAM-UHFFFAOYSA-N
-58A11CE5E2D66359_B98D1A9475279542_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H](C(OCC(C)C)=O)C)N(C)C,MKHSIWAQZQPUBS-NSHDSACASA-N
-58ABAA8FC98AAAD5_C509B1D0E6F5A985_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(N=C(C)C=C3C)C)(=O)=O,NYPJPBRZJIRONQ-UHFFFAOYSA-N
-5996D10C5170C7C6_3FAB8BDBA02FCD87_6038_UN,CN(C)C(=O)N2CC(OC(C1=C(CC(OC)=O)SC=C1)=O)C2,WDXSACVHIOWPCY-UHFFFAOYSA-N
-5A6B708044B7C36C_73ABD5421B208ED1_6029_UN,N#CC1=NC(=CC=C1)N2CCN(CC2)[S](C3=C(C=CC=C3)OC4=NC=CC=C4)(=O)=O,KUPPTDPCMDFNBJ-UHFFFAOYSA-N
-5B3989912BF872E2_9B3230BF38290831_6038_UN,CCOC(=O)[C@@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=C[NH]C=N2,BYVUZLJLJPGOPM-NSHDSACASA-N
-5BBA217CEB04D88F_4D5AFB908E4A0D2C_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C3=C(C(O)C2=CC=CC=C2)C=CC=C3)(=O)=O,COZQVQSWYQSVPG-UHFFFAOYSA-N
-5CC0885A62876E64_2D557D2CDB5E772C_6038_UN,CC(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CCC2=CC3=C(C=C2)OCO3,YQHXEQQXVXMDQH-UHFFFAOYSA-N
-5D0B4E4992B6CBD0_CB73B4FE04AAB1C0_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,WQXKEMMBKUNTBA-UHFFFAOYSA-N
-5F5D146F76A58825_FC28178C60F6DE2D_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,ICZHGAWLVYNVCG-UHFFFAOYSA-N
-6181FA94FE0A1ED6_7435D33F0A7A20E4_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,PZFQQCJUYBYOBY-UHFFFAOYSA-N
-62A7FD0A08D42611_193FC55B38783E42_6029_UN,N([CH]1C[C](C1)=[CH2])[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,LDRFLASVGFQNIO-UHFFFAOYSA-N
-62EA2C6ED64ED4A6_80F7CC578107768D_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)F)Cl)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,AYOMQJPYQOTKLY-XYPYZODXSA-N
-62EA6CC1798BE7A3_A7789B449F83DEFC_6029_UN,C1C(CN1[S](C2=CC3=C(N=C2)SC=C3)(=O)=O)OC4=NC=CC=N4,QDYKNAHDWMPHGH-UHFFFAOYSA-N
-64581F3259E2774C_DEC7BC96E0F1405D_6038_DP,OC(=O)CC1=C(C=CC=C1)OC(CC2=NN=C(C)S2)=O,FTOUKNBIRLWTDV-UHFFFAOYSA-N
-64E0811D931A8ED2_7F3D72E463E065D4_6029_UN,CC1CN(CCN1[S](C3=C[N]2N=C(C)C=C2N=C3)(=O)=O)C4=NC(=CC=C4)C,WOLPJLOPNHWDBK-UHFFFAOYSA-N
-65E952A048068BF6_BD406601B7C0815F_6038_UN,CN(C)C1=C(C=CC=C1)NC(CN2CCN(CC)C(C2=O)=O)=O,MFLPBRDUDTYKOJ-UHFFFAOYSA-N
-66C53F2DF49695B3_8069DDFED3A08D65_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,CPUMZWYMQBGWOL-UHFFFAOYSA-N
-692D0800B385C5BE_E51A4D31405E15DF_6038_UN,O(C(C#N)C1=C(C=CC(=C1)F)F)C(C3C(C2=N[NH]C(=N2)C)C3)=O,ILXRHVKISAOPRW-UHFFFAOYSA-N
-698314FAD3D4C407_C5A53393ED63D05D_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C(=C2)C(=O)O)[S](=O)(=O)Cl)(=O)=O)C3=NC=CC=N3,XEIKVRHHFMLNNI-UHFFFAOYSA-N
-699B6D98FFA22381_26DF1BAE4A2A9249_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=N2)NC(C)=O)=O,BPLZPKBESGGYGW-VIFPVBQESA-N
-6A8D92D936FBAE95_0E683A84933B767B_6028_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,XQYAAJNMPZTRJK-UHFFFAOYSA-N
-6B5219816F418E1E_E169DD9C529D55ED_6029_UN,N(C1=C(SC2=C1C=CC=N2)C(=O)O)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O,NBXLMZRVXDCXEA-UHFFFAOYSA-N
-6B724F430CCC0220_C68F0A87AA2B6569_6029_UN,CC1=C(C=CC=N1)CCN[S](C2=CC=C(C=C2)CC3CC3)(=O)=O,UMJMRLKCUQGGNL-UHFFFAOYSA-N
-6BAB0569B0C130AF_05D054AB9798876A_6039_UN,OC(=O)C5=NOC(CC4(OCC3=CC=C(C2=NC1=C(C=CC(=C1)C)S2)C=C3)COC4)C5,DFVRNIGAHYKQIM-UHFFFAOYSA-N
-6CF28C28643E88A2_16BD685C71DFDB45_6029_UN,CC1=C(C=CC=C1)C2CCCCN2[S](C3=NC(=CC=C3)C4=NC=CC=N4)(=O)=O,CPOFNWUBBDKSLC-UHFFFAOYSA-N
-6D9926E9BBD30805_9F83E973D418D4CB_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O)C,MOFIMQJMJCTLKB-UHFFFAOYSA-N
-6F121425D06AD920_FE48E836D9D9AD80_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CN=C(C5=NN=C[N]5C)N=C6)(=O)=O,KXGIWEUZCDYGIJ-UHFFFAOYSA-N
-6F5E956CABC40CE5_075D02D2AAF62AAF_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,ZVZFPRSNDHAZLT-UHFFFAOYSA-N
-6FBCD9DABE1E6DCA_815AF1B72974F436_6038_UN,CC(C)[C@H](NC(=O)C2=NC=C1OCOC1=C2)C(=O)N(C)C,CHMSWQFVIRBZHM-LBPRGKRZSA-N
-7013C806789288CF_257B04596FD80FA8_6029_UN,CC1=C(C=CC=N1)CCCN[S](C2=CC(=CC=C2)C3CC3)(=O)=O,YRLXIAMLPAKSBB-UHFFFAOYSA-N
-7434BC1DB020B3D1_DBF544729A69041F_6038_DP,OC(=O)C1=C(C=CC=N1)NC(C2=N[N](C)C(=C2)C3=CC4=C(C=C3)OCO4)=O,QYDIWQQNBUXKLX-UHFFFAOYSA-N
-74CB8097B8C41FD4_04686BC7DC6B8163_6038_UN,CCN(C)C(=O)[C@@H](NC(=O)C1=C([NH]N=C1)C2=CC3=C(C=C2)OCO3)C(C)C,LDBIARQWUYNMSW-INIZCTEOSA-N
-75316BA7BAE4661A_6BC62D2C9B41E302_6038_UN,N(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(C(CC)=C)=O,GGSFNXBPWAOCJU-UHFFFAOYSA-N
-76D00C9C2EC4D09E_35F316EA35835532_6038_UN,COC(=O)[C@@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=C[NH]C=N2,BNBNIMSNOLMXHS-JTQLQIEISA-N
-76DF815EE1DFBB39_109C9A8D497D8D13_6038_DP,CN(C)C(=O)C1=CC(=C(C=C1)C)NC(C(C)N2CCNCC2=O)=O,CQOZAHRXDRQELS-UHFFFAOYSA-N
-77B94608B6E379BA_D794B21DEF03A987_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,PGGDUMPDFPMJLE-UHFFFAOYSA-N
-77E2AC70D25C022F_780DD7D8B5E0AA31_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC(=CC=C4)[S](=O)(=O)N5CCCCC5,KWBKUDWBYQUYEI-UHFFFAOYSA-N
-77F6C2780923105F_41B40FD6728A0A29_6029_UN,N#CC1=NC=C(C=C1)N2CCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,VIBLJZYIJKARPG-UHFFFAOYSA-N
-790CF568168037E7_6A2A8AF8870CCD81_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(N3CCN(CC)CC3)=O,VWVJFVWZTBYNMG-UHFFFAOYSA-N
-7A6CBB24C95E981C_879516629A83CA06_6038_UN,N(C1=C(C=C(C=C1)F)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,MYBPLQFYCPOWGS-UHFFFAOYSA-N
-7B3FE896469C886B_C908581725551A86_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC(=C(C=C2)F)C)=O)=O,XGJIWPPINIBOHB-JTQLQIEISA-N
-7B808D89BBE75F7D_E4912A6D1A822F22_6041_UN,CC1=C(C=CC=C1NC(C)=C(C#N)C(=O)O)[N]2C=CN=C2S,VJFYCIDMNOHSNA-UHFFFAOYSA-N
-7C47B857E8835501_E2FCDCFFE1859230_6003_UN,O(C1CN(C1)C2=NC(=CN=C2)Cl)C3=C(C(=CC=C3)CC(OC)=O)[N](=O)=O,BJDUKCFVIGZTTF-UHFFFAOYSA-N
-7F72234633031D4B_6C99C2C95051B401_6039_UN,CC1=C(C=C(C=C1)C(=O)NO)OCCN2C(=O)CNC2=O,MRJDXOJLVZQYDQ-UHFFFAOYSA-N
-7F7F133170E8A3F8_8641F5239B41F404_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)F)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,BNJCHYWSUFXFAF-KESTWPANSA-N
-7FC8DEAC97C7D002_4BE103922CB1F1E6_6038_UN,CC1=C(C(=CC=N1)OC(C3[N]2C(=NN=C2C)CC3)=O)[N](=O)=O,BNSQGUANICUSMU-UHFFFAOYSA-N
-811A130982281CE5_0AD90259A6C788A6_6039_UN,OC(=O)C1=CC(=C(C=C1)OCC(N4CCN(C2=NC=NC3=C2C=N[N]3C)CC4)=O)[N](=O)=O,JZMDAUNBEJXNQH-UHFFFAOYSA-N
-828D0B77FB0980E1_4E7585EFBDEA94EC_6038_UN,O(C1CN(CCF)C1)C(C2=C(N=C(C(N(C)C)=O)C=C2)C)=O,VDMWLHOQSCOOSU-UHFFFAOYSA-N
-839609353D59951F_FF94A34D1C4D2A6E_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCOCC4)F,RLRFAUICHJSFSL-UHFFFAOYSA-N
-84DBBC83BB1DCD86_0C2CEF75F07C2445_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=NN=CC=C4,DEYAWQRVUYZREW-UHFFFAOYSA-N
-84E2D6263D66C38E_2B3F4331F0DABEBD_6038_UN,OB1OCC2=C(C=CC=C12)OC(C([N]3N=NN=C3C)=CC4=CC(=CC=C4)F)=O,PFFOXXOQYRDNKP-UHFFFAOYSA-N
-84EDAF6B09990DCA_A3B92E25D0FE00F3_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCC5,ZMZUWNLMVLNKOY-UHFFFAOYSA-N
-852FBAB76845CEDE_72CC89F13F62A26F_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCCN(CC(C)C)C,KZMXDDPQDFXFSW-UHFFFAOYSA-N
-85D37D75F6889E55_C61F77B6BFFBEB13_6029_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC=CC(=C3)[C@@H](C)O)(=O)=O,VHXONAMUIRSDPT-MTATWXBHSA-N
-875EDDB83F39F4E8_6E4BAB5C97A53BA8_6029_UN,CC1=C(C=CC=C1)C2CCCN2[S](C3=CC=C(C=C3)C4=NC=CS4)(=O)=O,LFCWOXLILOGYOF-UHFFFAOYSA-N
-8891AAD41EEDAD00_56FF71A38AFE19FA_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=C(C=C3)C)C4=NN=C(C)O4)(=O)=O,ILEHXGOBEHLBRS-UHFFFAOYSA-N
-89077E59BFD19C90_5CD6781F9FB2DB96_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)[C@H]3CO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,BNTJCGCJVPAWAB-GOSISDBHSA-N
-8B79059EFE5CB650_5C0C58FB87C8DA68_6038_UN,CN1C(CC(=N1)CNC(C2=CC(=NC=C2)OCCN(C)C)=O)=O,XRPAYPXUZZTOBB-UHFFFAOYSA-N
-8B7B819E668BB39B_E979D8C0670C4052_6038_UN,C[N]1C=C(C=N1)C(NC(C3(C2=CC=N[N]2C)CC3)=O)C4=C[N](N=C4)C,VBJCPMSOQJVTDE-UHFFFAOYSA-N
-8D4721DADF3DE220_6A5F0F577D9CD046_6028_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,OIDVKBKESNKYEF-UHFFFAOYSA-N
-8DBC57A6974A0214_4895E4DD414EA097_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C(CC)=CC)=O,DYXOQVDIFAGSCP-UHFFFAOYSA-N
-8DC62B17B24C703C_9BE3D835D61495B2_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC3=C(C=C2)OC(C)(C)C3,ROKMWAMVVCWGPR-UHFFFAOYSA-N
-8E403EC551BB7D1D_1440043D47EAC930_6035_UN,CN(C)C(=O)N2CC(OC1=C(C(OC)=O)N=C(C=C1)Br)C2,IIYJGXXTIGDWCU-UHFFFAOYSA-N
-8E54D445A25369EA_B239AA00FA1D9619_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4CCC[S]4(=O)=O,FYHLPNAQHILHIT-UHFFFAOYSA-N
-8F8F90F30AD14EBE_76E85702667107AB_6038_UN,CC(C)[C@@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C(=O)N,FVIFCILTOJLBJR-SNVBAGLBSA-N
-90BAF943718DD86D_F7192A051E363D0D_6038_UN,CCN(C(=O)C)C1=NC=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,YDPOWDOKNSOFAZ-UHFFFAOYSA-N
-93D3866BCD2D6DBD_1F3CC286B952372F_6038_UN,CC(C)N(C)C1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)F,DPBKYHFFBFXQGQ-UHFFFAOYSA-N
-93F053F459742AB6_B0A309337160579A_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=CN=C(C)C=C3)=O,OMJMEWDFRAEZMS-UHFFFAOYSA-N
-9425FD6974DBCA50_B1563413ACBE6781_6029_UN,OC(C1CCN(CC1)[S](C2=CC=CC3=CN=C(C)C=C23)(=O)=O)C4=CC=CC=C4,MHOPVWBGPVXGGE-UHFFFAOYSA-N
-9436D1A166203159_5A8D055D9BAB7320_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCCC5,MMKHLOZTXYMKAG-UHFFFAOYSA-N
-943AE79D37439699_3414D16A1F365099_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O,NBPQEEQIHGMIDY-UHFFFAOYSA-N
-94E4A37CC1B96E1D_C9B8B41656D8C731_6038_DP,CN(C)C(=O)C(NC(C1CN(C)C(CN1)=O)=O)C2=CC=CC=C2,CFJZVLBAHQSUHI-UHFFFAOYSA-N
-96E485F634F53186_0E3873E947D9DB23_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C3=CC=NC(=N3)CC(C)C)=O,MIBGZHUAZZRYAS-UHFFFAOYSA-N
-9721AD25868977A1_ED98D7160AA1BECA_6027_UN,C1CC(=CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=CS4,YESINUQSDHKBKU-UHFFFAOYSA-N
-9721AD25868977A1_ED98D7160AA1BECA_7015_UN,C1CC(=CCN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=NC=CS4,YESINUQSDHKBKU-UHFFFAOYSA-N
-98DF64D3DB67F17B_9796DEFEE4765EF3_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)C(N(CC)C)=O)=O,XGUJKVFPGZZBBA-LBPRGKRZSA-N
-9AE048D21DB62519_EAE02033C8B1D011_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3C)C(=O)N4CCOCC4,UYLRMYFAYHXELA-UHFFFAOYSA-N
-9AEA949E355CC199_492FD91A7CC43D7A_6038_UN,N(C1=CC2=C(C=C1)C=CC=N2)C(CCC(N3CCN(C(C)=O)CC3)=O)=O,NNNXVUXPOLGDEV-UHFFFAOYSA-N
-9BD17300908D354E_C13A466E03CA34CD_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC(C)C3CC4=C3C=CC=C4,IATQOQIGMOIXBK-UHFFFAOYSA-N
-9BE416DEDFA299B4_26211687B6623329_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2C)C(OC)=O)[N](=O)=O)(=O)=O)C3=NN=CC=N3,PEWCGGOYNHBKFI-UHFFFAOYSA-N
-9BE51FF282FD4AA2_106359B1B33B8B53_6029_UN,C1CN(CCN1[S](C2=C(B(O)O)C(=CC=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DKVQMRWTBMWLEM-UHFFFAOYSA-N
-9D22F44217B2C974_7BD741436C868838_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C([N]3N=NN=C3C)C4=CC=CC=C4)=O,WQYJOGXKKQAIDQ-UHFFFAOYSA-N
-9E9A7BC10780A6C5_541E975E4D8C3CC2_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C3=CC(=NC4=C3C(=NO4)C(C)C)C5=CC=CO5)=O,AEWPFDPJFKGPNM-UHFFFAOYSA-N
-A0F8EC0FFDF21A54_AEE4FEB0EF9D7D14_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=NC=CS4,CDDZYJSHAFFPMG-UHFFFAOYSA-N
-A1A36F59E6E2535E_EC85E05B4D7A229B_6038_UN,CC(OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC3=C(C=C2)OCO3,MOMLXIOKDLJQGE-UHFFFAOYSA-N
-A2CB7238F57E0FC8_57D1AD185D86A569_6038_UN,CC[C@H](C)[C@H](NC(C1=C[N](CCC(C)C)N=N1)=O)CN(C)C,HJPDAYMSWLNYRA-UONOGXRCSA-N
-A3C5A9A76F434AF5_736EB19646ED054F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CN=C(N4CCN([S](C)(=O)=O)CC4)C=C5,APZYFGNZRSDAPQ-UHFFFAOYSA-N
-A7D973123CAE603C_DD82EAB07D5B48A6_6028_UN,CN2CCC(CN[S](C1=CC=C(C(C)C)C=C1)(=O)=O)CC2,XYRTUIDZLZWPHS-UHFFFAOYSA-N
-AA0FC52EE7C233FB_71183BD4E130BEE4_6038_UN,COC(=O)[C@@H](NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)CC2=C[NH]C=N2,IWACCFJCQYMGSY-AWEZNQCLSA-N
-AAF75E7F8699A302_9845801A8D4151E5_6038_UN,N(C1=C(C(=CC=C1)F)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,XZDBKKKZWACSSW-UHFFFAOYSA-N
-AB1FAECB0530ED34_E4432F5C6580EBF5_6029_UN,N(C1(CCC1)C#C)[S](C2=C(C=CC(=C2)C(C)C)O)(=O)=O,FJHFTBLFJYPOLF-UHFFFAOYSA-N
-ABD784F06A18250E_2FECA177E5DCC701_6029_UN,ON(CC1=C(C=CC=C1)Cl)[S](C2=CN=C(N=C2)N3CCC(=O)CC3)(=O)=O,LHNTXGWQSDGKND-UHFFFAOYSA-N
-AD6A27C40E59C7D9_1FF72F1A583EA0A2_6026_UN,CC1=C(C=NC(=C1)Cl)[S](=O)(=O)N3CCN(C2=NC=C(CN(C)C)C=C2)CC3,GOPKVLDWXSJGFO-UHFFFAOYSA-N
-AFAE5EF57F08B15D_C357A48153D315E2_6029_UN,CC1=NC(=CC=C1)C2CCCN2[S](C3=C(C=CC=C3)C4=CSC=N4)(=O)=O,CNCINBOFUZZASU-UHFFFAOYSA-N
-B0137A2B5E9382D0_BA5A9437A11CC83C_6029_UN,C1CN(CCN1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C4=NSC5=C4C=CC=C5,CUZVRPRLNHVSCV-UHFFFAOYSA-N
-B028A6F82CC4F824_5DCB48CD722DF6F7_6028_UN,CC1CN(CCN1[S](C2=NN=C([N]2C)C3=C(C=CC=C3)F)(=O)=O)C4=NC(=CC=C4)C,JPJPJVILKRWENL-UHFFFAOYSA-N
-B042E7FD9AFC6E3A_0D1DFC076EB07E3D_6038_UN,C[C@@H](CNC(C(C)[N]1C=NC2=C1N=CN=C2N)=O)N(C)C,MGZBXTXUKFWUPX-IENPIDJESA-N
-B101CF2B5EE5969E_36F0F5EE76F439AF_6038_UN,CN(C)C1=C(C=C(C=C1)F)NC(CCC(N2CCN(C(C)=O)CC2)=O)=O,LPJLMQHUPABHPM-UHFFFAOYSA-N
-B10E691221E2E9D3_CE2E7ED6B5698063_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=CC=C(C(N3CCC(C(OCC)=O)CC3)=O)C=C4,WNXJZJGXRCBCCD-UHFFFAOYSA-N
-B1490E29D26806D1_21D653045DB0DB0D_6038_UN,C[N]3C=C(NC(=O)C1=CC(=CN=C1)C2=N[NH]C=C2)C(=N3)C(=O)N4CCOCC4,GHZYKQMZZOHAFN-UHFFFAOYSA-N
-B15F4014630DB073_2D9BB98A9870E6CF_6029_UN,N([C@@H]1CC[C@H](CC1)C#C)[S](C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4)(=O)=O,SDEHIQDPVDLNNZ-HDJSIYSDSA-N
-B287A975D89C586B_4DDF2D085A4E4AB1_6041_UN,C1(=C(C=CC=C1)CC2=N[NH]N=N2)NC(C)=C(C#N)C(=O)O,DSJKVNBLXOFWGX-UHFFFAOYSA-N
-B4AC9F7DB51977F6_FA86CCED515A47A6_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C)C=C3)C#C)=O,JMHFTNKMFWEWDU-UHFFFAOYSA-N
-B4E4035BCCAC6784_DFD91D81EC9AE3E7_6038_UN,CCOC(=O)[C@@H](NC(C1=C(N=C(C(N(C)C)=O)C=C1)C)=O)CC2=C[NH]C=N2,MMPGESMWOWYMES-HNNXBMFYSA-N
-B5DAB7C89A91FB1D_E2C1E297880D4926_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@H]3CC(CN3)(C)C)=O,VIPJFFAEJRGGFE-ZDUSSCGKSA-N
-B707639EA4ED3259_81E680DB04E48DEB_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=N[N](C=N3)C)(=O)=O)C4=CC=NC=C4,AXPBQXHLQGVTJO-UHFFFAOYSA-N
-B7C6F8A9E1ACCEE9_08DBFFB1780CD730_6038_UN,CC(=O)N(C1CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)N4CCOCC4,DBYIPWPAFHBIRT-UHFFFAOYSA-N
-B988AF23614B5EDC_B45E30AFBAB05DC5_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CCCC)=O)=O,MCYLIFCAEMFBEP-UHFFFAOYSA-N
-B9926293352854A7_B716A0FF6711E5A4_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=C(C=CC=C4)[S](=O)(=O)N5CCCC5,XQHHDMALHSYWJN-UHFFFAOYSA-N
-BA1368D63817A742_FDC93E436AA4039C_6028_UN,C1CC(=CCN1[S](C2=NC=C(C=N2)OC3=CC=CC=C3)(=O)=O)C4=NC=CS4,BOZMROOVYNOGRA-UHFFFAOYSA-N
-BBDD561D421A574A_FBED78A21C2A0A32_6029_DP,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,BPIIJNWQCNWCGZ-UHFFFAOYSA-N
-BD3BA385BB1D466D_FF91EB71AC78DEB9_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4OC6=C(C4=NC=N5)C=CC=C6,GISWYCMCLLHPLD-UHFFFAOYSA-N
-C042861BF5D7CD3D_FD22EA669E6E9DBB_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC(CC)(CC)C2=NN=N[NH]2)N3CCOC3=O,CERQNOUPBDCLHB-UHFFFAOYSA-N
-C0BFD0BB06D3F5D8_437A2DBDF6BC9C49_6028_UN,CC1CN(CCN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=NC(=CC=C5)C,OQJJOTJECRFZBV-UHFFFAOYSA-N
-C0ED74FFADBBCF51_02210E1C6B2E9D83_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=CC(=C4C)N5CCN(C(C)=O)C5=O,JBYPVEUDUGUGAQ-UHFFFAOYSA-N
-C110D271E6C3AEC1_CE9BC0485FAFF0BE_6036_UN,C(C1=C[N](=CC=C1)=O)N([S](C2=CN=C(Cl)C=C2)(=O)=O)CC3CC3,UVULXZHTUYIACY-UHFFFAOYSA-N
-C11E87D9776AE126_3427013B5C9CA5B5_6029_UN,CC1CN(CCN1[S](C3=C2SN=CC2=CC=C3)(=O)=O)C4=NC(=CC=C4)C,ODWLRDHWJRUJMT-UHFFFAOYSA-N
-C158F36D533AE5DD_972B510E4C408239_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=CC(=CC(=C3)F)[S](=O)(=O)Cl,JIXLHMKLWYIBLJ-UHFFFAOYSA-N
-C2676BC401827382_71701617EA3BD28C_6038_UN,CC(=O)N1CCN(CC1)C(=O)CCNC(C(=CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,QBXCVBKLRLNJPD-UHFFFAOYSA-N
-C4FDEABCC3747604_43825C217214B1F7_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC(C)=CC2=CC(=CC=C2)C(F)(F)F,YRFYOQFSKRZGQY-UHFFFAOYSA-N
-C6128E7BDEB54AE2_B7297E28CFADAB43_6038_DP,CC1=C(C=CC(=C1)NC(=O)C(=O)CC(=O)C2=CSC=C2)N3CCNCC3,VWLJVTXLPVBLAO-UHFFFAOYSA-N
-C6C7D96C02F8F06C_EF14BDD805C1DCBB_6028_UN,C1CC(CCN1[S](C2=NC=C(C=N2)OC3=CC=CC=C3)(=O)=O)C4=CSC=C4,BTCJTAGZUVBSFO-UHFFFAOYSA-N
-C7275C9C3FA04B1F_43358C2FB5035D8C_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,AMBMIPLVAWIJQN-UHFFFAOYSA-N
-C90AC121F2CB99C3_397EE738E2F3F670_6029_UN,C1CC(=CCN1[S](C2=CC=C(C=C2)CC3CC3)(=O)=O)C4=NC=CS4,STQJXSCUQIUCGF-UHFFFAOYSA-N
-C9313EB3B67FD6A2_EBB43CE3B01D0E21_6038_UN,NC(=O)N2CC(OC(C=C(C1=CC=C(CC)C=C1)C)=O)C2,LTLUPECNJCDTSO-UHFFFAOYSA-N
-C9EEBD30F7251308_E96BAACC2AD88E5E_6029_DP,N3CC(N[S](C1=CC=C(C=C1)C2=CCCCC2)(=O)=O)(C3)C4=CC=CC=C4,DAHLCBFJUBLQGQ-UHFFFAOYSA-N
-CA847B813AEDFA2F_F0C9C85A6176E0F3_6029_UN,C1CC(CN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=NC=CS4,FXMMREFKFIARDO-UHFFFAOYSA-N
-CAC6F18CFE3C668B_8EA0169B33C9E291_6029_UN,C1CN(CCN1[S](C2=C(N=CN=C2)OC3=CC4=C(C=C3)OCO4)(=O)=O)C5=NSC6=C5C=CC=C6,LASUOZOCSPIKLP-UHFFFAOYSA-N
-CAFFE9CB1D5E5B19_B51A487FB402C4B3_6041_UN,O[S](=O)C1=C(N=CC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,YBIDCVFOEKDSCT-AWEZNQCLSA-N
-CFFC47C5593F639F_80DB21FE1FFA3CCA_6041_UN,CCOC(=O)C1=CN=C([NH]1)NC2(C(OC(C)(C2)C)=O)C,HCKFLXRMJDVCIO-UHFFFAOYSA-N
-D06F3A1491DBDF33_1E16E409D83B0CB1_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(O)C=CC(=C2)C(F)(F)F,SABTVMHNDGAUHM-UHFFFAOYSA-N
-D1AF560FD4C6FCA9_F07C143ADEEA7FA1_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3CC2(CCCC2)OC4=C3C=CC=C4)C5CC5,VSBMVKWXVBBLKC-UHFFFAOYSA-N
-D258B0CA0ABA4019_49896CDD445E1BFD_6028_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC(=NC=C2)C)(=O)=O)CC3,WWALUPOYPQWQCH-UHFFFAOYSA-N
-D7B05781DCFEBC4C_C671E4726DF08D50_6029_UN,C1CN(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CS4,BCHFUPUWMGRAMG-UHFFFAOYSA-N
-D7E3E117F5DF38A1_63EBA30304032386_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=CC(=CC(=C3)F)[S](=O)(=O)Cl,XAFYDUDNQDEBBC-UHFFFAOYSA-N
-D857531F0943ED39_43FAE6282C997A98_6029_DP,N1CCN(C(C1)C2=CC(=CC=C2)Cl)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,HCXWSMMVBQPBKR-UHFFFAOYSA-N
-D90B38E8A5A4CDBB_BAD68F571CFE05F6_6038_UN,C[C@H](OC([C@@H]2[C@@H](C1=C(C)[N](N=C1)C)N(C(C2)=O)C3CC3)=O)C4=C[N](N=C4)C,FBIONYPPCANBOO-QITLCBANSA-N
-DB44A99C2E1873AA_7DA555BEB74A246E_6038_UN,N(C1=CC2=C(C=C1)CCOB2O)C(C3=CC(=NC4=C3C(=NO4)C(C)C)C5=CC=CO5)=O,WAKJUPYQZIRLHV-UHFFFAOYSA-N
-DCEDB9E102922002_822D7AAEA4F5C2AD_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CCC(C[N]2C=C(C)C=N2)CC3,UKQVXEYLHRHKRS-UHFFFAOYSA-N
-DE9E9A121EBA74E9_79BCF9604D9B47CB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4CCCN(C3=CC=C(C)C=C3)C4=O,RZVXWZCNFNAEKG-UHFFFAOYSA-N
-DEA793096FF1EDC0_E9C29280D577F3DE_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCC(N4CCN(C3=CC=CC(=C3)C)CC4)=O,XNWIGMXUHZBNSP-UHFFFAOYSA-N
-DF0B654C02A35EE2_4B59FB99F8CA20A2_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=NC=CS4,XIOOVWFFYNFYQQ-UHFFFAOYSA-N
-DFCAE9F5BFC369E2_FD2BF24C066F83A6_2267_UN,OC(=O)C[N]2C=C(NC(=O)C#CC(B1OC(CN(C)CC(O1)=O)=O)=C)C=N2,UDPWJUHUBQPDHJ-UHFFFAOYSA-N
-E0293C3F0697928D_15315E763B34ABB6_6028_UN,CC2=C1CCCN(C1=CC=C2Br)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,IBSVLCCHLHFRRF-UHFFFAOYSA-N
-E0A2F8F0684EC6E1_7FF7B4C1146956DB_6038_UN,CC(=O)C1=C(C=C(C=C1C)NC(=O)C2=CN=C(N=C2)N3CCOCC3)C,RYPQFQXOWVAAQB-UHFFFAOYSA-N
-E0F77570045FE84F_8909E5EC7BB3CE88_6038_UN,CC[C@H](C)[C@H](NC(C1=C(C)[N](N=N1)C2=C[N](N=C2)C)=O)CN(C)C,APQRJYBRRHXNKG-SMDDNHRTSA-N
-E2338F4BEB951AAA_FCA7D86BE9926613_6038_UN,CC(C)C(CNC(C1=CC=N[N]1CCN(C)C)=O)N(C)C,NNRGVKWXEBTNKC-UHFFFAOYSA-N
-E241632E1A68C66A_F46906D993A61638_6039_UN,CN2C(=C(COCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C[N]3N=NN=C23)C,HXDJNLKIZSUMRI-UHFFFAOYSA-N
-E38592398D04A6D1_1B49D875FCB79F17_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O,NKXLMJXXDFZKSP-UHFFFAOYSA-N
-E4E74CDB57BA5FE5_1005E52480F1349F_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,WSNOBEQZLHNUFC-UHFFFAOYSA-N
-E5F816DA43D7E954_F757E27FD9C0FEB9_6038_UN,N(C1=CC(=CC=C1)CN2C=CC=NC2=O)C(C4CCN(C3=NC=C(C)C=C3)CC4)=O,RYNGAIGYMVBVNX-UHFFFAOYSA-N
-E6677190804CAF17_923480E5DD278580_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(C)C=CC=N3)(=O)=O,XZEMIBGBDFSLNY-UHFFFAOYSA-N
-E77BF23A397EA7B2_189224CB87C45789_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=CO2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,IXIKSDHXTHWZOD-UHFFFAOYSA-N
-E77C8EE20A401795_26FF978A703F7216_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C(N(CC)CC)=O)C=CC=C3,AKLILSMBEHTPQB-UHFFFAOYSA-N
-E794173CA9A83E2F_6A7D69435E09B41B_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=NC=C3)C)(=O)=O,QXMUWVLOPUQOSK-UHFFFAOYSA-N
-E794173CA9A83E2F_E3B78795990B6117_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=NC=C3)C)(=O)=O,QXMUWVLOPUQOSK-UHFFFAOYSA-N
-EAD7CF7D1DAF433B_FDBE778D03A3F232_6041_UN,CCOC(=O)C2=CC1=C(C(=NC=C1)NC(C)=C(C#N)C(=O)O)[NH]2,RTYDQGFDYPUJOE-UHFFFAOYSA-N
-EC100E6AC1B6C04A_E817799366E41D17_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)C(C)=O)=O,OHCAIRPPUWGPOA-NSHDSACASA-N
-EC28DD1AD33F2791_19551AC79D973C9C_6038_UN,N(C1=C(C=CC(=C1F)F)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,FARGCFDZXFRECP-UHFFFAOYSA-N
-ED45E89223EE3683_77FD697DD578F5C5_6038_UN,OB1OCC2=C(C=CC=C12)OC(C3=CC=C[N]4C(=NN=C34)CC(C)C)=O,BXDUBTLTNFBMGX-UHFFFAOYSA-N
-EDA5B56887703722_C894FBE7836C0E8A_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)[C@@H](C)O)(=O)=O)C4=NC3=C(C=CC=C3)S4,CCDPGEVMRIBVRC-CQSZACIVSA-N
-EDC0A6B86D8ABC71_400185FF8C30CC7B_6029_UN,C1CC(=CCN1[S](C2=C(C=CC=C2)OC3=CC=NC=C3)(=O)=O)C4=NC=CS4,OHLPEBLKAHRYPJ-UHFFFAOYSA-N
-F0E63F6A3D3D9320_6215F34AEF4253AF_6038_DP,CCN1CCN(CC1)C2=NC=C(C=C2)CNC(C3=CN=CC(=C3)C(O)=O)=O,ICDLXCDKNVLRDN-UHFFFAOYSA-N
-F111D99069AD7B9B_1B9A3967BAA5F457_6041_UN,OC(=O)C1=C(C=C(C=C1)NCC2=CN=C(N(CC)CC)C=C2)N3CCCC3=O,OCCXDNAJVCPQHL-UHFFFAOYSA-N
-F1482361E3156E70_59EE7160796CCD31_6029_UN,C1CN(CCN1[S](C2=CN=C(N=C2)C3=NC=CC=N3)(=O)=O)C4=NSC5=C4C=CC=C5,IOPJPVZEIQADOS-UHFFFAOYSA-N
-F155E42E1D3AFB89_C0686C89E5C3A6A6_6038_UN,CCOC(=O)[C@@H](NC(C(N(C)C)=O)=O)CC1=C[NH]C=N1,DXGBWPAABGYGPM-VIFPVBQESA-N
-F1C8CAC5FF1A30CF_61D926FF1AE12F0A_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,CLOQUBWPMWDDBJ-UHFFFAOYSA-N
-F5E4A08662DCA951_71648458FAF30626_6036_UN,CC1=CN=C(C=C1)C2=CC(=CC=C2)CN([S](=O)(=O)C3=CN=CC=C3)C4CC4,YGFIAIFUSSSJQY-UHFFFAOYSA-N
-F66DC44EC9FE40F1_2471108969069739_6028_UN,CC1CN(CCN1[S](C2=NN=C([N]2C)C3=C(C=CC=C3)Cl)(=O)=O)C4=NC(=CC=C4)C,MAZBCTHKJSHIHC-UHFFFAOYSA-N
-F6BC9BFE1ADF5A90_E5F284756E93AA3F_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)C3=NN=C[N]3C)(=O)=O)C4=NC(=CC=C4)C,UIPFVNWZNOWSCW-UHFFFAOYSA-N
-F88D7A7657D24C09_87F63DC6BB9AA1C6_6029_UN,CC=CC=CCN[S](C1=CC=CC(=C1)C2(O)CC2)(=O)=O,VVWAORBLYWIJHH-UHFFFAOYSA-N
-F8CE7FB4DE305092_53813C7E5568959E_6029_UN,C1CC(CN1[S](C3=CN=C(N2CC(O)C2)C=C3)(=O)=O)C4=NC=CS4,UUXJEQYJKUNSKL-UHFFFAOYSA-N
-F9CD531460F3883F_C179BFDCF2BEA485_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,YAJZUSUNFAHVON-UHFFFAOYSA-N
-F9E5552553C9102B_6FEC2294A4382186_6029_UN,C1CC(CCN1[S](C2=CC=C(S2)C3CC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,FLQATLPHNMVIKJ-UHFFFAOYSA-N
-FFF5C68A88C9ADBD_D3F69DC3830BB437_6036_UN,C(C1CC1)(C2=NC=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,KORPBESBTDOCMC-UHFFFAOYSA-N
-rxn:2:104654:80088,CS(=O)(=O)c1ccc([C@H](NC(CC2=NCCO2)c2ccc3c(c2)OCO3)C2CCC2)cc1,VMLPFWNAKULSCX-PIFIWZBESA-N
-rxn:2:107019:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)N[C@H]2CC[C@@H](Cn3cc(C4CC4)nn3)C2)cc1,AKQBNMVRXJUTRT-NTEFNCDNSA-N
-rxn:2:127832:80088,CS(=O)(=O)c1ccc([C@@H](NC(CC2=NCCO2)c2ccc3c(c2)OCO3)C2CCC2)cc1,VMLPFWNAKULSCX-JWIMYKKASA-N
-015D1C5F0CDD813A_5AB0C11ECA03CE62_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(C=N2)C(F)F)(=O)=O)C3=CN=CC=C3,OHGGHLCSCAVMTF-UHFFFAOYSA-N
-0191F771636ECA97_FEB6F4587668AA9E_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=C(O[Si](C(C)(C)C)(C)C)C=CC=C3)F,UGTZZGORVBMOPA-UHFFFAOYSA-N
-0205525313F0ABB2_5D7B20833B975CA0_6038_DP,N1CC(=CC1=O)OC(C(C2=CC=C(OC)C=C2)(C)C)=O,VBCSKWJBQSPPTM-UHFFFAOYSA-N
-0390A1F27F79FEC5_FEDFF741F8A5417E_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4)C,IPJPNZORBFPTSF-UHFFFAOYSA-N
-057EDC6101B730DC_0F13494E3A440745_6029_UN,CC1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,JTUILIIJVDPCBB-UHFFFAOYSA-N
-05BEA6A1931CEE30_74C7E48252789E4B_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)C3=NN=CC=N3,MSBSFBQSGATGEY-UHFFFAOYSA-N
-061F83B21A3B66E6_93C12F00EAC9500A_6029_UN,CC1CN(CCN1[S](C2=C(Cl)N=CN=C2)(=O)=O)C3=CC(=C(C=C3)C)C,NVMSFLVXKXPLOG-UHFFFAOYSA-N
-07B436C101EC7429_DFB2E1E416170CCC_6041_UN,OC(=O)C4=CC1=C(N=CN=C1NC3=CC(=C(N2CCN(CC)CC2)C=C3)F)[NH]4,LKJPJSKUCNWQQC-UHFFFAOYSA-N
-08E4E5190B6BC7A9_EB9522C614671376_6029_DP,N(C1(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,MQMQSDNTYSOMQN-UHFFFAOYSA-N
-094DACA151BEB1B3_3F6D7AE47B9D2E5B_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4=CC=C(C=C4)[S](=O)(=O)O,OAMQGVMIBNQCDJ-UHFFFAOYSA-N
-0A1653E2755594B5_C23F86C360BB9703_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=CC=C(Cl)C=C3)(=O)=O)C5=C4C=CSC4=CC=N5,RKUZWVUYBNSWHJ-UHFFFAOYSA-N
-0C6B2F2BFE0E5ED8_142E78D098A65E3D_6027_UN,N(C1=CC(=CC=C1)OC3=C2C=CC=CC2=NC=C3)[S](C(O)C4=CC=CC=C4)(=O)=O,CNJBOPRODOTEPO-UHFFFAOYSA-N
-0D83D323793EA2FD_2C3221504DFFAC77_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=C(Cl)C=C2)Cl)(=O)=O)C3=CC=CC=C3,JCGUYPCAJMQLQO-UHFFFAOYSA-N
-0EEE787CA3D5362E_017BBC48F4C425D4_6029_UN,C1CN(CCN1[S](C3=C(N2CC(CO)C2)C=CC(=C3)C(F)(F)F)(=O)=O)C4=NN=CC=N4,HHXYGLBBBOHZMJ-UHFFFAOYSA-N
-0FB340FEF36B1D65_B2F3DAA53F3BF776_6029_UN,N(CC1=CCCCC1)[S](C2=CC=C(CCC)C=C2)(=O)=O,NDNFXJNFNXGTRA-UHFFFAOYSA-N
-1019D4D34E6067A2_449625972019B5DD_6038_DP,N(C1=CC(=CC=C1)SC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,HKFXWTFWSUNAFB-UHFFFAOYSA-N
-1075E158B7D96FE6_35F598904C1C3726_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,LVUQTXSPYKLWGJ-UHFFFAOYSA-N
-109A9AF435A85731_CD93E89049AC79F4_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C(C)C)C=CC=C2)(=O)=O)C3=CC=CC=C3,VJLDOUQRWCWEHY-UHFFFAOYSA-N
-10A3A601314BD5DF_09DCB9677B9ED75D_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=C[N](C3=C(C)C=CC=C3)N=C4)(=O)=O,UBMOAPWFQHRFOZ-UHFFFAOYSA-N
-1124229B5DF47639_3F9FD038AD2001D4_6041_UN,CC1=CC(=CC(=C1)C)[N]2N=CC3=C2N=CN=C3N[C@@H]4C[P](C[C@H]4O[Si](C)(C)C)(=O)C,GYWZLFXGCODPRB-DUJJBQMASA-N
-118A858F0A27AC88_82459A3E34259310_6041_DP,CC(C)C1=C(N=C(N=C1)NC2=CC=C(C=C2)O[S](=O)(=O)F)N3CCNCC3,PSZZXPCPJPMMKB-UHFFFAOYSA-N
-11FE4BC03B65171E_7DF851CC51B7C40A_6029_DP,OC3CC(CCN[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O)C3,LRDZIFITLYJHSM-UHFFFAOYSA-N
-1216FE441F80C7BE_E2F105760559E905_6003_UN,O(C1=CC=CC=C1)C3=CC=C(C(NC2=CC=C(C(O)=O)C=C2)=O)C=C3,CGOKFXLGXPLHTI-UHFFFAOYSA-N
-12565CABD2F75769_922D48A9D9A80B29_6029_UN,CC1CN(CCN1[S](C2=C(C)C=C(C=C2)F)(=O)=O)C3=NC(=CC=C3)C,JSKOUYWNBVBNET-UHFFFAOYSA-N
-12EE97E31CBF8D1B_1C43301EE9CB6CD3_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C5=C4C=CSC4=NC=N5,ATWYKDMWJHUCTF-UHFFFAOYSA-N
-13A4433E395BF478_5B6FFFC28D1ED38E_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)Cl)OC)OC,LTRKPYFAYUYGMN-UHFFFAOYSA-N
-14119D025724B7DF_8F4CBB88B5B69E58_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=CC(=C2)Cl)Cl)[S](C3=NC=C(C=C3)C4CC4)(=O)=O,UNLNXHWOPOMOEI-JKSUJKDBSA-N
-14C1688268904321_B795A1C31B461BCB_6029_UN,CC3CCC(CN[S](C2=CC=C(C1(F)CC1)C=C2)(=O)=O)CC3,IIKVNBICJTWACD-UHFFFAOYSA-N
-161FED3FFD1393ED_F2388DF12673E6FC_6027_UN,N(C1=CC=C(C=C1)OC3=C2C=CC=CC2=NC=C3)[S](C(O)C4=CC=CC=C4)(=O)=O,LIANGKLZDUHJAK-UHFFFAOYSA-N
-168E0AF27E634428_F91EA19A5545C015_6041_UN,NOC1=CC=C(C=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,OLKCDLWWRFSOBR-UHFFFAOYSA-N
-169493C9DC207AAC_87F3EFCAB58CF921_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,GDVXKNFAJBIHLQ-UHFFFAOYSA-N
-187CE12D83F0FC0D_6B39CC55FF464E9C_6028_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=NN=C(C3=CC(=CC(=C3)C)C)O4)(=O)=O,OBOFVZSCYBXXFI-UHFFFAOYSA-N
-1950EFF0147AAF32_4E32068FBCB0010A_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C=CC3=C(C)C=CN=C3)=O,QTSGZKJBOGNBJB-UHFFFAOYSA-N
-1AA3BF8C31FA395D_ED1B7771DF2C7EDC_6028_UN,CC1=C(C=CC=C1)C3(CN[S](C2=CC=CC=C2)(=O)=O)CC3,ACSXNQUUCXIDHH-UHFFFAOYSA-N
-1B11F989522648CE_AFBCDB0766CDB9B8_6041_UN,COC(=O)C1=N[NH]C=C1NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,SSHWRJIEATVWJL-UHFFFAOYSA-N
-1B196ED081910109_66ACDC58DE75DF8A_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(O)C=CC=C3,ABOYXINXWGGXSV-UHFFFAOYSA-N
-1B3B62020848C8C5_D0CECFDEA4AE4C95_6027_UN,C1CN(CCN1[S](=O)(=O)C3=NC2=C(C=C(C=C2)Cl)[NH]3)C4=NN=C(C=C4)[N]5C=CC=N5,CYJUHQLNBYSUCJ-UHFFFAOYSA-N
-1BD2F0FBE0AC35B0_BD451C1E983A8BCD_6038_UN,CCOC(=O)C(NC(C1=C(NC(OCC)=O)SC=N1)=O)CCOC,ADCLGWSBFCJBAI-UHFFFAOYSA-N
-1CDE71E3123FAE38_934C911FA4739771_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=NC2=NC=N[N]2C(=C3)C(C)(C)C)=O,DKMVZOSDLMXRAR-UHFFFAOYSA-N
-1D0D1E1EE5F93DB7_976E251A44DC3654_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,ONIXZFOXCYPSFZ-UHFFFAOYSA-N
-1D91C630F12BAA37_5DE4612EAB7AADCE_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OCC(N(C)C)=O)C=C(C=C3)C,GOPBRHMPLQEFBP-UHFFFAOYSA-N
-1DDEB97B112BC3DF_BACEF8FFD0F36C9F_6029_UN,CC1CC(C1)CN[S](C3=CC=C(C2CC2(F)F)C=C3)(=O)=O,LDKSIAJWJGFGCS-UHFFFAOYSA-N
-1E4EE5F1BAACBE57_A45EF4FEF11BAFEE_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2)OC(F)F)(=O)=O)C3=CN=CC=C3,FQGVRSXDXNTGLS-UHFFFAOYSA-N
-1F76013825F590F4_B96B31F93C11C0F1_6038_UN,CCOC(=O)[C@@H](NC(C1C(N(C)C(C1)=O)C2=C[N](N=C2)C)=O)COC,NZIZXMIEOLCZQO-LXVYMNJGSA-N
-1FEFE529A57F872E_F93DCE953F0E120C_6035_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C4=CC=CC(=C4)[S](C)(=O)=O,ZTXCNLFRRRFHHK-UHFFFAOYSA-N
-20AECDFAA5A2E139_5B0FE881546D3EB1_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=C(C)C=C2F)F)=O,BOHYWKCWOMNTNV-UHFFFAOYSA-N
-21732476E99ADC54_13F4B5CE3F75773D_6039_UN,CC2=C(OCC(NC1=C(C(NCC(C)C)=O)C=CC=C1)=O)C(=O)OC2,YWVQCDNUFHIFLA-UHFFFAOYSA-N
-21942639D245EE20_34614C31D0711093_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,GHXDKMULOCTMTB-RTBURBONSA-N
-22C7387B324B596D_5E5EA969EE059CD3_6028_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CC=CC=C3,AGEKAAQRCLJSGL-UHFFFAOYSA-N
-2310FFC053CA4268_EC582D21C26D07F8_6029_DP,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,GZOURDQBVBMNQE-NNUKFRKNSA-N
-231CA2CA5032A27B_25AE554B229D5E3F_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)C5=C4OC6=C(C4=NC=N5)C=CC=C6,HINDNTBFPJHKNU-UHFFFAOYSA-N
-2521786C9A55FFF2_4F29532FA7473FD3_6029_UN,N(CCC1=CC(=CC=C1)Cl)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,VIGVHUBDNVUFPF-UHFFFAOYSA-N
-25A1ADF059451C91_D5CEE3A17EEBFBAE_6038_UN,CC(OC(=O)C2=C1N=N[NH]C1=CC(=C2)F)C3=C(C=CC=C3)N4CCN(C)CC4,SEUZEGALBQJABR-UHFFFAOYSA-N
-261346D335E7F878_3440B698D1E7A9FD_6038_UN,O(C2=C1C=CC(=C(C1=NC=C2)F)Cl)C(C3=CN=C(CC(C)C)C=C3)=O,RZODSFFRRJHSEU-UHFFFAOYSA-N
-269CB362B071CE7B_B65077F699D86694_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC[N]2C=C(CC1NC(=O)NC1=O)N=N2)C,DVBSLTNUMSOVFM-UHFFFAOYSA-N
-279C1EE22DFB4773_5BA4980C7D41F772_6029_DP,N1CC(C1)C(N[S](C2=CC(=CC=C2)CC3CCC3)(=O)=O)C4=CC=C(C=C4)F,YKZGJVMROXHUON-UHFFFAOYSA-N
-27B40E6EBC802A70_49FC2D7C5545445D_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=CC(=C2F)C)F)=O,BBSPJXLAMZHSLB-UHFFFAOYSA-N
-2B663E73869E611B_D7069E37AA50F4A3_6029_UN,ClC1CN(CC1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O,QYFFYIBODCWKGT-UHFFFAOYSA-N
-2C292E422946E479_D69BB5A7B3076BD9_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[N]3C=C(C)C=N3)(=O)=O)C5=C4C=CSC4=NC=N5,BXPIRQFZRIZKDH-UHFFFAOYSA-N
-2C4500D378C31106_FDA8C08707037897_6027_UN,CC1=CC(=CC=C1)OC2=C(C=CC=C2)N[S](C(O)C3=CC=CC=C3)(=O)=O,QKSGNYSIMOLNEV-UHFFFAOYSA-N
-2CD6997CA2951BD8_3C6C6B038B44CD3B_6029_UN,C1C=C(CN1[S](C2=C(N=CN=C2)OC3=CC4=C(C=C3)OCO4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,TXQBOZZUWYZIBC-UHFFFAOYSA-N
-2D4523E822F7291F_6AFAAD83030B5791_6038_DP,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C3=C(C)[N](C(=C3)C)C4CNC4)=O,WVSPQOLROPBBBG-UHFFFAOYSA-N
-2D503E96EE69DFC2_518A583EED8D7DDF_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)F,YAXPKSDLUFSDHK-LBPRGKRZSA-N
-2DBC8BD13459C7A6_C829A9C1CF320B17_6029_UN,C1C(CN1[S](C2=C(C=C(C(C)O)C=C2)F)(=O)=O)OC3=NC=CC=C3,DJGMPBZMGKIOCA-UHFFFAOYSA-N
-2DD3D41A8B434CDA_F1C20720C17C9D7A_6027_UN,C1CN(CCN1[S](=O)(=O)C3=NC2=C(C=CC=C2)[NH]3)C4=NC(=CS4)C5=CC=CS5,APXSXHCJAZSJDF-UHFFFAOYSA-N
-2DD3D41A8B434CDA_F1C20720C17C9D7A_7015_UN,C1CN(CCN1[S](=O)(=O)C3=NC2=C(C=CC=C2)[NH]3)C4=NC(=CS4)C5=CC=CS5,APXSXHCJAZSJDF-UHFFFAOYSA-N
-2EB44FFB362F4537_9CAB674643A9E365_6027_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,WDDWJGFGWFLERU-UHFFFAOYSA-N
-315F31FEF8D46FC9_2DE18268B15C7AB7_6029_UN,C1C(CN1[S](C2=C(C(C)C)C=CC(=C2)Cl)(=O)=O)OC3=NC=CC=N3,NEFXJDQXGPDERG-UHFFFAOYSA-N
-31ADFC6506A43EDD_7053EC0643097FC2_6029_DP,CC1C(CC1N[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,VPTMRPPJUPBWLW-UHFFFAOYSA-N
-31C186DA47AC8AF7_5FA9CDF065C17749_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=C3N=C(C)C=C([N]23)C)(=O)=O,QZXSVGJKVNGNIW-UHFFFAOYSA-N
-32CA476B59E28C04_4A54A73A54201745_6041_UN,CC(C)(C)C(=O)C(C#N)C1=CC=C(C=C1)NC3C[N]2N=NN=C2CC3,BWRWLBRXWSANEH-UHFFFAOYSA-N
-32E840AF48815689_E77E7C926D67D522_6029_UN,C1C=C(CN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=CC=CC=C3,PLBVSEOOORPOQV-UHFFFAOYSA-N
-332E5A7BEA5A095A_386A06E912AF8510_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC(=CC(=C3)C)C)O4)(=O)=O,LFPFBXBIUGVWRE-UHFFFAOYSA-N
-349AF2D2C94D58B5_215451CA0448CB6D_6038_UN,CCN(CC)CC#CC(C)OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,GOJILMRDYGESOC-UHFFFAOYSA-N
-35990F565FA220C9_00C4E40E4AE3FF82_6028_UN,C1CN(CCN1[S](C2=NC=C[N]2C3=C(C)C(=CC=C3)Cl)(=O)=O)C4=CC=CS4,BJMZFPSYAPITDM-UHFFFAOYSA-N
-3608A22833818DEF_52BF30127E331F32_6041_UN,CC(C)OC1=NC(=NC=C1)NC2C3=C([S](CC2)(=O)=O)C=CC(=C3)F,ZPUUHIUIHRLYDC-UHFFFAOYSA-N
-38BE2FCA8FB18076_FB2D0908AED4DBA2_6041_UN,SC1=C(C=CC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,CPWLOWWPKYDWDC-UHFFFAOYSA-N
-39E3CC442D7C9067_541DB0D37339139A_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,RDKUIVFAJHWFIS-UHFFFAOYSA-N
-3C0004ADE116DE14_28C280BEC773D5FD_6041_UN,CC(=O)C(C#N)C1=C(C=CC=C1F)NCC2=NN=C(C(C)(C)C)S2,AGAPAOSATMOLLS-UHFFFAOYSA-N
-3CBC1D6341E3F27E_BCBE77577B602811_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C(N(C)C)=O)C=C(C=C2)C)C,ZHSHJQUQFJFSBV-UHFFFAOYSA-N
-3E11D55B3116F2BF_F8FD197DD03D6DA4_6029_DP,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,IIQJHNHBBOAHNH-RBUKOAKNSA-N
-3FA1A2A4FEB1A457_B39CA8577532F245_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[CH]=[C]3C[CH2]C3,NHOBVCREJWKZNZ-UHFFFAOYSA-N
-4150FC4FC7EBB7B7_27792CEC5689BDD4_7017_UN,N5([S](=O)(=O)C1=CC=C(C=C1)[N]2C=CC=C2)CCN(C4=NC3=C(Br)C=CC=C3S4)CC5,GAGIXRRMYYESKP-UHFFFAOYSA-N
-41DA347D5133DC24_949A137C6C41654F_6029_UN,N(CCC1=CCCC1)[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,XLRXWCUGNKYIRH-UHFFFAOYSA-N
-42CDE9762B2F09F9_29065ACCBCEC3B35_6041_DP,CC(C)C(=O)CC(=O)C1=CC(=CC=C1)NC2=CC(=C(C=C2)N3CCNCC3)C,ADVMLEHCTPKQEB-UHFFFAOYSA-N
-43332C81F545BC99_FB35269F6E9893F9_6029_UN,CC1CN(CCN1[S](C2=C(C)C=C(C=C2)Cl)(=O)=O)C3=NC(=CC=C3)C,ZYKFBLBJFVXQIM-UHFFFAOYSA-N
-455F114D3316008C_ABE77CC58F85166E_6041_UN,C[N]1C=NC2=C1C=CN=C2NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,MBPQGTZRTYPGOR-UHFFFAOYSA-N
-4A7A46B1938EB589_3D9D38F7EFF45605_6041_UN,CC1=C(C=C(C=C1)C2=N[NH]C=C2N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C)C,QGBJFTNWRRNERC-YSSRZBRDSA-N
-4B3DD0FB39D3CCA1_151ADFE8871012BA_7015_UN,CC1=CC(=C(C=C1)OC2=CC=CC=C2)N[S](C(O)C3=CC=CC=C3)(=O)=O,VQOUJFXWMYWWNZ-UHFFFAOYSA-N
-4BF58E714046EB6C_7884D9C1E222A1B1_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2CC(C)(C)OC3=C2C=CC=C3,JGJCEBUSXOPPDK-UHFFFAOYSA-N
-4D7AD8F63309DEBA_EE61D0C30FC6D19E_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=CC=C(C(C)(C)C)C=C2)[N]3C4=CC=C(C=C4)Br)(=O)=O)C5=NN=CC=N5,IHPJGGSQEAJUAY-UHFFFAOYSA-N
-4DA398C5EFF7AE0E_36658675AB65DD15_6029_UN,ClC1=CC=C(C=C1)C2CSCCN2[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,NSDGPWXESJXLOL-UHFFFAOYSA-N
-4EBDE0AC1D673814_775516C2B7F3155D_6029_DP,N(C1(CC1)C2=CC=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,RSHJAOSSEHRUHT-UHFFFAOYSA-N
-4F0A552EA7EC954C_DBCD4D05B2994FB7_6041_UN,OC(=O)C1=C(C(=CC=C1)NC2=CC=CC(=C2)C3=C[N](C)N=N3)[N](=O)=O,GUEIAOHDYJGNCI-UHFFFAOYSA-N
-520B99D868B0C505_255522B35FB8FE3D_6029_UN,CC1=C(C=CC=C1)C2=C[N](N=C2)[S](C4=NN=C(C3(C)CC3)[NH]4)(=O)=O,KDGRTMMQXUVROO-UHFFFAOYSA-N
-52180138DDDC6F2B_B64E692CAFD46AE0_6038_UN,CC(OC(=O)C1=CC(=CC=C1)N2CC=CC2)C3=NN=N[N]3C,WLXJJWNRBQFDAL-UHFFFAOYSA-N
-5358CC40E8181F5B_3DCD4FAD988C7AD2_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C(C(C)=O)C=C3OCOC3=C4,BUQWDKRTMKSMDZ-UHFFFAOYSA-N
-53BB9B0FD44AECF7_329B682FCFA0C0FA_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C[N](=CC=C3)=O,YWGMVFADNGIWBM-UHFFFAOYSA-N
-55F29A94EE881BD4_B88300B9362442A4_6038_UN,CC(NC([C@H](C(C)C)N(C)C)=O)CC1=C([NH]N=C1C)C,PPYVDOJSCDFQRV-SBNLOKMTSA-N
-565F15EC1D8A4762_D4185FA80B0EF453_6041_UN,O=[N](=O)C1=C[NH]C(=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,ALSODCPAOAMEEN-JTQLQIEISA-N
-573043C7810741AF_EFC124E06FA2BA8B_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=NC=CC=N4,ZPTSIXCOABAONS-UHFFFAOYSA-N
-57B1B8D5D10AF2D4_5D37C802FCA001E1_6031_UN,O(C(=O)CC1=NN=CS1)CC3=CC=C(N2CCN(C)CC2)C=C3,YXHVGMQOCWAQFQ-UHFFFAOYSA-N
-5838C916484D7EEF_179DBF1EC3829247_6038_UN,O(C1=CC=CC=CC1=O)C(COC2=CC=CC(=C2)OC)=O,YHHIADFIPVXAFS-UHFFFAOYSA-N
-58C57B89C023C69D_EDDAB1C2EEE94AC2_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C)(C)CC2=CC=CC=C2)=O,YWKHIKHBZCZIRT-ZDUSSCGKSA-N
-59420317D14FDED8_F67813191D5A6AAF_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C3=NN=C(C)C=C3)=O,GWKKDOCPOXOTLK-UHFFFAOYSA-N
-5942633A0B6F841D_22970A48584A1BB8_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CC=C3,BZZZTEDYNDFIGW-UHFFFAOYSA-N
-59BAB07AAECCDC8A_5F820670B74A1135_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C(C)O)C=C2)(=O)=O)C3=CC=CC=C3,UWZYWQZOLAPPNS-UHFFFAOYSA-N
-5A534A7451D2F9ED_E5CDDD9DB01752C9_6029_UN,CC1CN(CCN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=C(C=CC=C4)F,STEITWSRORHQAR-UHFFFAOYSA-N
-5B416D267A127D33_9A6A66EBA6C9BA28_6038_UN,CC1=C(C1COC(C(C(C)C)C2=N[NH]C=N2)=O)[Si](C)(C)C,XLNAUFWWZMVYKM-UHFFFAOYSA-N
-5E6D83DF3D428DCB_19B7DBF5CE7359B3_6029_UN,C1N(CC=C(C1)C2=C3C(=CN=C2)C=CC=C3)[S](C4=C(C=CC=C4)[N]5C=NN=N5)(=O)=O,UHAVSDDRUMOLIX-UHFFFAOYSA-N
-5EB6FE5960BBC951_DA2F7C2F6E467ECD_6038_DP,ONC(=O)C1=CC(=CC=C1)OC(C2=CC=CC(=C2)O)=O,HVZKEPKHKFLPGG-UHFFFAOYSA-N
-5F386DF9E1D7ACD3_EDF188C240C0FE62_6029_UN,CC1CC(C1)CN[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,UIQRUXLYPXGVIG-UHFFFAOYSA-N
-5F651F848B413913_06AB7155032FE559_6028_UN,CC1C3=C(CC(CC1)CN[S](C2=CC=C(C)C=C2)(=O)=O)C=CC=C3,WFPIVOQSQOPUKC-UHFFFAOYSA-N
-6021CE02B0BF1007_5BF814ED9440C84B_6029_UN,N(CC1(CC1)CC2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,YVAHMRPILPOEPV-UHFFFAOYSA-N
-60D46634E29B1CE1_303CD1142D25A9D2_6041_UN,OC(=O)C1=CSC(=N1)C2=C(C=CC=C2)NC[C@H]3OC(OC3)=O,ZBCUZCINOZZPNK-MRVPVSSYSA-N
-60E19FDBC5CB0DDA_9644B7628FA463FB_6041_UN,CC1=CC=C(C=C1)C2=NOC(=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,MLVGRXYQZFMXQU-OLGRIWOZSA-N
-618EEB196E22BA92_5ACAFC78B3DF8830_6028_UN,N(C1CC(C1)=C2CCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,KPPYCMSRMNJCKZ-UHFFFAOYSA-N
-620AAEBD1BA7DF84_9CF0F85EBC8735B8_6029_UN,CC1CN(CCN1[S](C2=C(C(F)F)C=C(C=N2)F)(=O)=O)C3=CC=NC=C3,IOTSLDHBUOXVLD-UHFFFAOYSA-N
-626D8EDA81A55ECA_FA7AF7A9BA27F4D9_6038_DP,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C(NC)CC(C)(C)C)=O,IRZKDUGCINCGQC-UHFFFAOYSA-N
-635CBB0AF3DB6D35_8D13AC48F047A73D_6038_UN,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(=O)C4=CC=CC(=O)N4O,QKJAYXUVLQZVOA-UHFFFAOYSA-N
-63656C56CCF13D24_EC4F25EF9B40C732_6038_UN,CC(C)CN(C)CCCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,DTLBADPKRKIJGW-UHFFFAOYSA-N
-6417331DB6ACB744_8FF1136EA882F534_6038_DP,ONC(=O)C1=C(C=CC=C1)OC(C2=CC=CC(=C2)O)=O,DWJJXIJWWUOBBF-UHFFFAOYSA-N
-669214C1F65C6CCB_3DEB55559643CA8E_6038_DP,N2C[C@H](NC(C=CC1=C(OC(CC)C)C=CC=C1)=O)CO2,SMOBTGXEERRDAP-PYMCNQPYSA-N
-66AEBE822D745614_18CAE0390BFA29A3_6038_UN,CC(NC([C@@H](C(C)C)N(C)C)=O)CC1=C([NH]N=C1C)C,PPYVDOJSCDFQRV-LNUXAPHWSA-N
-670C199E8FA2A39C_409BD3AEF9872297_6029_DP,C1C=C(CN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,JHFJSTFOYLMXIP-UHFFFAOYSA-N
-67B83E1231FA0809_2B5E82E605E13D1E_7017_UN,N6([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CCN(C3=NC4=C(C(=O)N3)C(=CS4)C5=CC=CC=C5)CC6,FEZDGCZHNHAYEA-UHFFFAOYSA-N
-67FE8B655F0425D4_6C98DFF1EDE464F5_6028_UN,CC1=C(C=CC=C1)C2(CC2)N[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,RMWFCDJQDIICBE-UHFFFAOYSA-N
-69E3D6C1E46103F5_77F20B46756C1D4D_6041_UN,C1(=CC(=CC=C1)[N]2C=NN=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,MXWKFRBIKCKRIS-AULLONERSA-N
-6AB9D07F9CEB4690_F957AB78E81443FA_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(O)C=CN=C3,VMYHVMANVDCXJV-UHFFFAOYSA-N
-6B1A0B64C0689A1A_C5A8D071B1A5B1EA_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(CCN4CCN(C3=CC=CC(=C3)C)CC4)(C)C,FGQPHAZVNGVXLC-UHFFFAOYSA-N
-6FCA3B20679FE1C1_A0AC3D27E7EAA4E3_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=C(N=CC=C2)OCC3CC3)(=O)=O,NNMUBNXRMWYGKB-UHFFFAOYSA-N
-6FDE99A19B5B7ED2_321196AB36CC93A0_6029_UN,C1CN(CCN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C4=C3C=CSC3=NC=N4,MDJXEDGUQHOJAX-UHFFFAOYSA-N
-70D7D59D50A030FA_1964FF1A78655DE8_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC3=C(N2CC(C)(C)C2=O)C=CC=C3)N4CCOC4=O,SFYMGTWYVANHMR-UHFFFAOYSA-N
-7100D229DCCA705F_AE56483F49EE5AC2_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC(C2=CC=C(OC)C=C2)=O)(C)C)=O,XGOKXRMGLHGEJK-ZDUSSCGKSA-N
-710AFC20BB6045D1_BA4A0DECBC72021E_6038_UN,O(C1=C[N](=CC=C1)=O)C(C3=C([N](C2=CC=C(C)C=C2)N=N3)C4CC4)=O,VRNHOTMVXWRWRC-UHFFFAOYSA-N
-7161D37EC807615B_45FA47088A5E6128_6038_UN,CCC1=C(C=C(C(=C1)Cl)Cl)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,RALOAOTWDXQGOV-UHFFFAOYSA-N
-7541B7E04F49123B_08151C63A1A376B9_6029_DP,N(=C(C1=CC=CC=C1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,RHJAMROGPZAZQU-UHFFFAOYSA-N
-75F28F592DCEDE81_EE443410B05EA5FD_6031_UN,O(C(=O)C2=C1[NH]N=NC1=CC(=C2)Br)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,FGQCWUZZMVZXTQ-UHFFFAOYSA-N
-79352E3C80684042_75E9B1C648731CEB_6038_DP,C[Si](C)(C)C#CC(OC(C2NCC1=NN=C(C)[N]1C2)=O)CC3=CC=CC=C3,RZMXDHASVMLMCW-UHFFFAOYSA-N
-79D4A70CF24D64CF_B14242EF73C05A26_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=CN=CC=C4,AZWZHOMGRXZURH-UHFFFAOYSA-N
-7AF53E1AAB67FD73_8A43B178AE815CFD_6038_DP,N(C1=CC(=CC=C1)SC2=CC=CC=C2)C(C3=CC=CC(=C3)O)=O,GUPMQRHJBBSVFV-UHFFFAOYSA-N
-7B68D41EA0E1D713_C721F703109DA9A6_6041_UN,OC(=O)C1=CC(=NC(=C1)NC2=C(C(C)C)[N](N=C2)C3=CC(=CC=C3)C)N5CC[N]4C=CN=C4C5,VRMIMYWSVSWEHW-UHFFFAOYSA-N
-7D239888B75CEF00_BDE376E125DC1D2A_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC4CC3=CC=CC(=C3OC4)C,XMOVUFMAJUTGKJ-UHFFFAOYSA-N
-7DD253432D8710CF_0FDBC2450E7546B4_6041_UN,O[S](=O)C1=CN=C(C=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,SBDDIEDVYYXUBX-ZDUSSCGKSA-N
-7F1DFBB2FEC34CEE_19A931E39A14856D_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C(C)(C)N3CCCC3)C4=CC(=C(C=C4)F)F,TZYQIYBZBCCQGI-UHFFFAOYSA-N
-7F677999C324B5AC_C04DEF6B1CA982CB_6038_UN,COC(=O)C(NC(C=C([P](CC)(=O)O)C)=O)CCC1=C[NH]N=C1,BIZHKNCTENBAHU-UHFFFAOYSA-N
-80A7BF0415644EC9_D760C3D2FB976F8B_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4=C(C=CC=C4)[S](=O)(=O)O,JCCOFQBFNFHOLY-UHFFFAOYSA-N
-818629E88CF91904_68FFDBADDCF308B0_6029_UN,C1CC(CCN1[S](C3=C2C=COC2=C(Cl)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,OOWNCACTPZNIOK-UHFFFAOYSA-N
-81D022256068AA40_342E4D910773629E_6038_DP,N(C1=CC(=CC=C1)SC2=CC=CC=C2)C(C3=CC=C(O)C=C3)=O,IBFODQOWQFQCSB-UHFFFAOYSA-N
-81EA22F6EA920015_D2A76EB0019D62C6_6029_UN,OCC2=N[N]1CCCN(CC1=C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,HNRIACISYFIDAR-UHFFFAOYSA-N
-834FBCFC59CC64C3_65414D64103377DA_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=CC=C(C(C)(C)C)C=C2)[N]3C4=CC=C(C=C4)Cl)(=O)=O)C5=NN=CC=N5,QMJZBOPDUJVKDR-UHFFFAOYSA-N
-83823CECECBE624A_0F98F8CC4E3235F3_6039_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)CC4=CC=C(O[S](F)(=O)=O)C=C4,ZINBPDQECFCRQZ-UHFFFAOYSA-N
-83DAE1A9FC5E2FE9_83FE78E0B5947EDF_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=N3)C)(=O)=O,VBJNLGCERJJPQP-UHFFFAOYSA-N
-840CF2CD8FF2690A_18DA097E461DCDE1_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CN=C([N]3N=C(C)C=C3C)C=C4)=O,OWLQXLBEPMTDMC-UHFFFAOYSA-N
-8416E9D270D6A971_E470870A9DAC97CD_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=CC=C(F)C=C3)(=O)=O)C5=C4SC=CC4=NC=N5,XWZXFEPDXAFJTR-UHFFFAOYSA-N
-842050E2B2E1994F_ECFEF78495A69D7F_6029_UN,N(CC1(CCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,IFTJUKJNOSRHIL-UHFFFAOYSA-N
-85986093C692AAC3_78BF715D171C4383_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@@H](C)O)(=O)=O,GKDXXQXCDZWLJM-UNEWFSDZSA-N
-8931261E80BF2A26_1B900198EA3B8C8D_6029_UN,C#CC1CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,RKGMOYIOCDRHFA-UHFFFAOYSA-N
-8BA0F93788B26C7E_2978D2A09C61A918_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O,ZIZUDTDREGXVDT-UHFFFAOYSA-N
-8C51F91F48A9DEAE_2B53C8E1645A2158_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=N[N]3C4=CC=C(C(C)C)C=C4)(=O)=O,YNGJFSCSLDOZLI-UHFFFAOYSA-N
-8D01AAC1C2AB54BF_C042D370331D18D7_6028_UN,N(CC1CC(C1)C2=CC=C(C=C2)Cl)[S](C3=CN=C(C)C=C3)(=O)=O,CFSJZGPGCMKLSH-UHFFFAOYSA-N
-8D0CCC5AE1741E0B_55E6F858A2D6AF09_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=CC=CC=C4,RCBJFOLPDBWCKL-UHFFFAOYSA-N
-8DAE5D296002F736_BD4A101A67EBFC77_6043_UN,C[N]1C=C(C(=N1)CN2C(=O)C=CC2=O)N3[S](=O)(=O)C=CC3,XMLATMDMQSTRNW-UHFFFAOYSA-N
-8EE3989A6E4ECA5F_71A46B1A09BFAE90_6038_UN,CC1=N[N](C(=C1C)C)C2=C(C=CC=C2)OC([C@@H]4[C@@H](C3=C(C)[N](N=C3)C)N(C(C4)=O)C5CC5)=O,RWAVNBNFLPRJAH-CYFREDJKSA-N
-9174D8B3C0C56088_9628D8A8ED02564B_6038_UN,CCOC(=O)C(NC(C1=C(NC(OCC)=O)SC=N1)=O)CCCOC,NMASQEYOPIAGPR-UHFFFAOYSA-N
-9680AEF6968076C1_977455A37C383224_6028_UN,C1C=C(CN1[S](C2=NC(=N[NH]2)C3=CC4=C(C=C3)CCC4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,WRXBLLNZIOPIKY-UHFFFAOYSA-N
-98CE1A5B07D94DEC_5178C35CE8F948D7_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4)F,VQYUBDMPRWVBCN-UHFFFAOYSA-N
-9AA57BEE547EFD87_6A505D61B980D44D_6038_UN,COC1=CC=C(C=C1)N2C(C(C2)NC(C=C([P](CC)(=O)O)C)=O)=O,WIMSTLMOKDTJEY-UHFFFAOYSA-N
-9AB04D0C11A4F628_8FE8BF5CC599F867_6028_UN,C1CC(CCN1[S](C2=NC=C([N]2C3=C(C)C(=CC=C3)Cl)C4=CC=CC=C4)(=O)=O)C5=CSC=N5,VVRACRKAJPYJPH-UHFFFAOYSA-N
-9BC35DB926527E9E_F10817E80049BA5B_6034_UN,C1=CC=C(C=C1)C2=NC(=C(N2C3=C(N)C(C3=O)=O)C4=CC=CC=C4)C5=CC=CC=C5,IEOKRLQVFXFRBN-UHFFFAOYSA-N
-9BFC6BEB234C98C6_9184A731D7F6862F_6029_UN,N(C1=CC(=CC=C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,WFAXKQSTQVIQAF-HNNXBMFYSA-N
-9BFE8B553ACB1DB9_EE0FBFB9F66A8E94_7019_UN,C(CC1CCCC(=O)O1)=CC3=NC2=C(CC)C=CC=C2C=C3,KZYABXHYRJJTSX-UHFFFAOYSA-N
-9E8635EB653C5048_AEC94048BAEFE18B_6029_UN,ClC2=C1CN(CCC1=CC=C2)[S](C3=C(C=C(OC(C)C)C=C3)C)(=O)=O,DOAOJCBGCMBEMA-UHFFFAOYSA-N
-A0893E5A07960A09_5C4F98D863025A15_6028_UN,N(C1CC=C(CC1)C2=CC=C(C=C2)F)[S](C3=NN=C(C)C=C3)(=O)=O,WAWJRLZKGCYWQL-UHFFFAOYSA-N
-A09966649634D219_BCEAEA0A110B9C06_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,DXKHUTKYFHXKRP-UHFFFAOYSA-N
-A126E91411F4D371_B443993941F6D782_2267_UN,O=C1C=CC(=O)N1CC#CC2=C[N](C(OC)(C)C)C=N2,IMPGPPGIRPJOOU-UHFFFAOYSA-N
-A2EA11037A817CF5_EE66DCA7108061F6_6028_UN,C1CN(CCN1[S](C3=NN=C(C2=CC=C(C(C)(C)C)C=C2)[N]3C4=C(C=CC=C4)Cl)(=O)=O)C5=NN=CC=N5,BQKCUYRFWCXBCJ-UHFFFAOYSA-N
-A3401317D5F5B857_C6C4A37F1B42DC03_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CCN(C3=NC=NC4=C3C=N[N]4C)CC5)Br,GSTSIKFKSYFGSH-UHFFFAOYSA-N
-A3CA2CDFD8A77F0B_D0FA05EACA0DC700_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=C(C)C=C(N=C3)C4CC4)(=O)=O)C5=CN=CC=C5,BFAKOCSVCXVLOG-UHFFFAOYSA-N
-A4B40F914A94E231_E37B0423F1445D52_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=CC(=C2)CC)F)=O,SJYDRYYNWJMNAA-UHFFFAOYSA-N
-A741AE0069CC6E70_2CB1535898CD5A8D_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=CC(=C(C)C=C2)C3=NN=N[N]3C4CC4)C,RXSKKRFRISFYMU-UHFFFAOYSA-N
-A853D781AFBF55FF_801F5D1F3121C0B5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC(=C(OC)C=C2)OC)C)=O,GMVQZNFQDMREPV-UMJHXOGRSA-N
-A920043AB82BB707_C879FECF4F5A89D2_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,QPGZVOKCPHUNNJ-UHFFFAOYSA-N
-A9D8F23F3EF9CB31_BBC40CBD7DF38743_6041_UN,C[N]1C=CC2=C1N=CN=C2NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,UHQZJLZTGCEMNK-UHFFFAOYSA-N
-AC1D58060F8A86C3_32A4910822E23717_6029_UN,C1=CC(=C[N]1[S](C2=C(C)C=C(N=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,IGTJGZHCVNNWRE-UHFFFAOYSA-N
-AD27263369DCAF2F_4F817DF6C9913835_6038_DP,N(C1=CC(=CC=C1)SC2=CC=CC=C2)C(C3=C(O)C=CC=C3)=O,QRWYXDYVTOXZJZ-UHFFFAOYSA-N
-AD4B14829663DE83_AFF6AFA5491F6023_6029_UN,IC1=C(C=CC=C1)C2CCCN2[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,MTHGETFETDDWJU-UHFFFAOYSA-N
-AD92AFD867618753_6B03A3DFF7465127_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C)C=C3)(=O)=O,VPFYXXIYTFGPTG-UHFFFAOYSA-N
-ADA537785E901D84_9F0A7A046CF7B2D0_6031_UN,CC[P](=O)(O)C(=CC(=O)OCCN1C(=O)CNC1=O)C,XPZZSSZQSISSPS-UHFFFAOYSA-N
-AE38248E0E77FCDB_B9891842DC58E869_6035_UN,COC(=O)C(OC1=CC=CC(=C1F)OC)C2=CC=CC=C2,CYIPAMKDDHUNDI-UHFFFAOYSA-N
-B054CD83020B6B1E_7C2ADD6A2ABA9831_6038_UN,N(C1=C(C=C(C=C1)N2CCCCC2)F)C(C4(C3=CC=C([S](N)(=O)=O)C=C3)CC4)=O,VYIMUSSSXDLFFG-UHFFFAOYSA-N
-B11F24827B4776F2_99CD9B2A90ED79AF_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O,KTSCQKDWSHKQBV-UHFFFAOYSA-N
-B163F3D6EEC2DDB9_07EBDC39B3F032AD_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4)C,NHRHOEHODXAZBJ-UHFFFAOYSA-N
-B172103AA9090C5F_B87DEED64DF25D2E_6039_UN,OC(=O)C1=C(C2=C(C=C1)[NH]N=N2)OCC(N4CCN(CC3=C(C)C=CC=C3)CC4)=O,OVBDQXHQISAVRO-UHFFFAOYSA-N
-B1E3AE1D7A28757E_D2DF8B28CB0BAEF4_6029_UN,C1N(CC=C(C1)C2=CC3=C(C=C2)OCCO3)[S](C4=C(C(C)C)N=CN=C4Cl)(=O)=O,NKKXVLVIROFFTR-UHFFFAOYSA-N
-B270F319E7B4AD8F_B7248C7E7DF2AB2A_6029_UN,C1CN(CCN1[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,DOEALTSOXNWXLN-UHFFFAOYSA-N
-B3E8FFD686516111_A1F46FCF0A4232B7_6038_UN,COC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC2=C[N](C)N=C2C,GUMBKSDRROXJLR-UHFFFAOYSA-N
-B41103C159106A0D_B7D66F9D8012748B_6029_UN,CC1=CC=C(C=C1)C2(CN(CC2)[S](C4=C3N=CC=NC3=CC=N4)(=O)=O)O,LWPJZJVVMNMODH-UHFFFAOYSA-N
-B45A14FA28298373_D6CDD4530C7907E1_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4F)[S](=O)(=O)O)F,PHGVCSHBPDYLDH-UHFFFAOYSA-N
-B59D32248AD78D95_403961236BD050F2_6029_UN,C1CN(CCN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C5=C4OC6=C(C4=NC=N5)C=CC=C6,ROJZSVKLMRPNIN-UHFFFAOYSA-N
-B6A2DC1682B16BFB_19E3280ED0DCEB18_6027_UN,CC2CCC(CN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,VCQXVGOXIYYWRH-UHFFFAOYSA-N
-B82D8CAE613A5CE1_7FB8466178421369_6029_DP,N(CCC1=CC=C(C=C1)F)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,YVMJJXDUYQSAIJ-UHFFFAOYSA-N
-B85618D660320F08_7B7F50CC6D23B348_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC(CC)(C)C#C,UDYOWDHPCHALLM-UHFFFAOYSA-N
-BA030712858A8A69_95F37F428C028E7E_6029_DP,N(C1CC=C(CC1)C2=CC=C(C=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,REGDHFPZFHYTFZ-UHFFFAOYSA-N
-BB833129B4370163_6F127C36913E39A0_6029_UN,C1C=C(CN1[S](C2=CC(=C(C(F)F)C=C2)F)(=O)=O)C3=CN=CC=C3,BVXRNMIBGQNIKI-UHFFFAOYSA-N
-BCD5CFC798BFBF4B_6FCA727C36B98C9B_6029_UN,N(C1=C(C=CC=C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,INKLZOKUISJFNF-HNNXBMFYSA-N
-BCEEBCFADA39B583_5301944BFEF3BE93_6029_DP,C2CC1=C(C=CC=C1)[C@@H](N2[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O)C5=CC=CC=C5,QMHSQJUTMYVOQZ-QHCPKHFHSA-N
-BD0D6C06AEAD5B96_65D9E97C052BC404_7005_UN,CC1=CC=NC2=C1[NH]C(=N2)C3=CC=CC(=C3)C4([S](C)(=O)=O)CC4,NGMMAXBBUQPHJR-UHFFFAOYSA-N
-BD8699C77B3E9586_ECFED1066F9D5AD2_6029_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)I)(=O)=O)C3=NC(=CC=C3)C,KYTWFLZPVVICRK-UHFFFAOYSA-N
-BFD32394B73D7C77_E7C6F06E2E819CA5_6028_UN,CN2CCC(CN[S](C1=CC=C(C(C)(C)C)C=C1)(=O)=O)CC2,RJYQKKUCRLGYHW-UHFFFAOYSA-N
-C074CA0CC993A36E_EEA2C37167E3A3CD_6029_UN,OC1(CCN(CC1)[S](C3=C2OCCC2=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,HHBROERYTWYYPV-UHFFFAOYSA-N
-C0C03C1FA1AA2A5A_78EF70833E307808_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(C(CC)(C)C)C=C3)(=O)=O,IEMUASCKMNYZDV-UHFFFAOYSA-N
-C0C49D682315DE27_EA24981717CEFB39_6038_DP,N2C[C@@H](NC(C=CC1=C(C=CC(=C1)OC)OC)=O)CO2,PSNVAZRZTDDVAX-LLVKDONJSA-N
-C1F70D76901EF171_7D21CA653039E00F_6029_UN,N(C1CCCC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,KZNPRERVOIODRS-UHFFFAOYSA-N
-C2A11E57010B7DAD_4A1B2B5EF7266E55_6028_UN,CC1CN(CCN1[S](C2=C(C)C=CC(=C2)Br)(=O)=O)C3=NC(=CC=C3)C,YKXQCAHWGBLYOI-UHFFFAOYSA-N
-C38D9188BE1DCE07_64C810D92F5D8E70_6029_UN,C1C=C(CN1[S](C2=CC(=CC(=C2)OC(F)F)F)(=O)=O)C3=CN=CC=C3,ZIVCUTMMORCHQE-UHFFFAOYSA-N
-C3B5A8AACE6DF295_4A2BCBF573651A1F_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)OC)OC)OC,ROFSJEACJPJIGU-UHFFFAOYSA-N
-C40C9B10F8C12051_9956FA2D705392A1_6041_UN,CC1=C(C=C[N](=C1)=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,HWNLNHXTGBZBMS-UHFFFAOYSA-N
-C4D6DC1597BF445F_3F20651F8A642DD3_6041_UN,CC(C)C1=NN=C(O1)C2=CC=C(C=C2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,QRTPZBLVLGZCMN-GTKFHXFRSA-N
-C53CCCCC66EF7D2D_9A068F3A8A5D8099_6029_UN,N(CCC1=C(C=C(C=C1)F)Cl)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,KSDOQHBIWALSLY-UHFFFAOYSA-N
-C73F8B2D3D35BB08_7B90685135B8DE07_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC(CC)=CC(=O)OC,OHYKORZZHZNZAT-UHFFFAOYSA-N
-C763D75C789FE1EC_B25207765DD6E746_6041_UN,CC1CCCN(C1)C2=NC=NC(=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,YYPLBJQFYSUNQA-WMCAAGNKSA-N
-C90436026A2AECB4_42E1F2C5BA15F9FE_6029_UN,OC1(CCN(CC1)[S](C3=C2OCCCC2=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,QOIPCKUKSPOZOZ-UHFFFAOYSA-N
-C92C07782165D466_1029A28B5B98B4E9_6029_UN,CC1CC(C1)N[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,HFZQFGZODHKPCS-UHFFFAOYSA-N
-C94261DDFC2EFAD7_79F092726DBFD1AC_6029_UN,CC1(CC(C1)N[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,KLGNVYQEMPQRBP-UHFFFAOYSA-N
-CA2B631C7B8AFFBE_8DECFF1151C3D5EA_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2=NC(=NO2)C3=C(OC)C=CC=C3)C,IZDOFKTUXZIYRF-UHFFFAOYSA-N
-CA5CF4E467D4FE76_58A392E10D8B6F1D_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(C3=NC(=NO3)C(C)C)C=C4)(=O)=O,SDWCQJSXLZJIPR-UHFFFAOYSA-N
-CAB35C7BC8D2BE01_82D8D4162100EB3F_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)C5=C4C=CSC4=NC=N5,JUDJUFOGCYANSE-UHFFFAOYSA-N
-CAE56AEB9D409444_EB3757270C53063E_6038_UN,O(C1=CC=CC=CC1=O)C(CC2=CC(=C(OC)C=C2)F)=O,CCPVUWWKXXUKHT-UHFFFAOYSA-N
-CBB48CE3913C4CC9_EFDDA3C0073130F5_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=CC(=C2)OC)F)=O,QYYCRRMSNGKBEQ-UHFFFAOYSA-N
-CC249B278969703B_95B443DE48F45335_6038_DP,N2C[C@H](NC(C=C(CC1=C(OC)C=CC=C1)C)=O)CO2,BEAPTKQIJZONRF-ZDUSSCGKSA-N
-CD2F2975CA31B28B_9D6817F474CE76A6_6041_UN,CCOC(=O)C1=C(C(=N[NH]1)C)NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3,VYSOGQWHSDWZJZ-UHFFFAOYSA-N
-CF3E18547872ADF6_C5B42CF989A71278_6027_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,VSQDQPZCIOXWKD-UHFFFAOYSA-N
-CFB1E6A8C05CE644_380AA7EE8E2CAC33_6029_UN,CC1CN(CCN1[S](C2=C(C=CC(=C2)F)C3CC3)(=O)=O)C4=NC(=CC=C4)C,NIMHMRQSGGDQIX-UHFFFAOYSA-N
-D1A77AC4CEF09772_B4A54C4DA91214ED_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=CC=C(O)C=C3,DPKIFXBGLFDWQY-UHFFFAOYSA-N
-D2E2C1293866E402_E4C27175770BAFC6_6029_UN,C1C(CN1[S](C2=CC(=CC(=C2)C#N)N3CCCC3)(=O)=O)C4=NC(=NC=C4)C5=NC=CC=N5,PWUBPGQFKFTWDU-UHFFFAOYSA-N
-D308EB87D9BD563E_F33351FC30336F37_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4C(C3=N[NH]C(=N3)C)C4)=O,JLHSMLYLVKMWMH-RUXDESIVSA-N
-D31CB8120EAEBB8A_18ADE9468BB44177_6029_UN,CC1CN(CCN1[S](C3=C(Cl)C=C2CCOC2=C3)(=O)=O)C4=NC(=CC=C4)C,IWFSBTHQRBIAOM-UHFFFAOYSA-N
-D43D4850AA9A3AA9_90A2D9528CAD210E_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,HEFKYJCHDFWQFW-UHFFFAOYSA-N
-D44A72C6ABFCD39B_34F53A86562D02A7_7022_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)O[P](=O)(O)O,DJPIAWUJXSOOEQ-UHFFFAOYSA-N
-D4A5E924F8696849_140763FD140CC0FF_6029_DP,CC1C(C1N[S](C2=CC=CC(=C2)C(C3CCNCC3)O)(=O)=O)C4=CC=CC=C4,MJCGRNIWFYWACJ-UHFFFAOYSA-N
-D4D1BF3707FD3492_005759A58D4D215B_6038_UN,CC1C(CC2=C(O1)C=CC=C2)NC(C3=CN=CC4=C3[N](C)C=N4)=O,YCUOQVGJGUJGMO-UHFFFAOYSA-N
-D69E94D0741D342B_422923EB820ECED4_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NCCN2CCN=C2CC)F,WMBFRBILCLMHSH-UHFFFAOYSA-N
-D69E94D0741D342B_4C50319FC3A81EB5_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NCCN2CCN=C2CC)F,WMBFRBILCLMHSH-UHFFFAOYSA-N
-D6AAC528EE70E2A2_19056DC98C3253B9_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3C[N]2N=CN=C2CC3,PPGHWJYLJSTRNY-UHFFFAOYSA-N
-D775285020411A75_268D805565292D70_6038_UN,CCOC(=O)C(NC(C1C(N(C)C(C1)=O)C2=C[N](N=C2)C)=O)CCOC,WVNZWNSXNHEDFL-UHFFFAOYSA-N
-D80569063DDC282C_3BF1003107DA1AEF_6041_DP,COC(=O)CC1=CC(=CC=C1)NC2=C(CO)C=CC=C2,XQEFRUBDFCIGEU-UHFFFAOYSA-N
-D82B668C0B6FBD92_A89905501E1AE898_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C4=C3C=CSC3=NC=N4,AOZBRJKSHCHJEK-UHFFFAOYSA-N
-D9F2C6E3A5D39CD2_82480D3BE3D464B5_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3=C(C)C=NC4=C3C=CC=C4,TUZIVPXTVCRYHQ-UHFFFAOYSA-N
-DA13EAA0AB4DE93E_5131AC6909657BF2_6038_UN,N(C1=C(C(=C(C=C1)F)Br)F)C(C2=N[NH]C(=C2)CCCCC)=O,YOPUYWYPELYBQR-UHFFFAOYSA-N
-DA6943DE765CDBB2_A59A93BF3E7DCE42_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C(=N)NO)C(=O)C=CC2=CC(=CC=C2)C3=CC=CC=C3,IVEVGNBKPUTDLL-UHFFFAOYSA-N
-DACA3FA908454154_AEA0C9A270CD7B04_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(N3CC(C)(C)C3)C=C4,GRRBZFMPJRSZSV-UHFFFAOYSA-N
-DB5697E642D3E911_A515839EA8B27BC5_6028_UN,CC1CN(CCN1[S](C2=NN=C[N]2C3=C(F)C=CC=C3)(=O)=O)C4=CC(=C(C=C4)C)C,ALHKTKYTODIUMV-UHFFFAOYSA-N
-DDA94E20BD443AFE_993E8A88052A95BE_6034_UN,C=C1CCC(=O)N(C1=O)CC2=CC=C(C(C)(C)C)C=C2,YKUDVNXOLIJCHL-UHFFFAOYSA-N
-DE380F6EA4ACCAE9_BC97DBF078346F59_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,RPSMHQNFZWSWKA-UHFFFAOYSA-N
-DE69A1886E870726_B3B9D6EB25A753B2_6029_UN,C1C(CN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=NOCC4,FCFJXYKUSQAUDD-UHFFFAOYSA-N
-E23531A20BDE5EF9_B0CC57C420CED634_6029_UN,CC1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C4=CC(=C(C=C4)C)C,LHRWPRJXYBTUOP-UHFFFAOYSA-N
-E268A3395BDD8D96_0FB61C92DD6A65F0_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=C(Cl)C=C2)C=C)(=O)=O)C3=CC=CC=C3,NATSSFHZZSDMQE-UHFFFAOYSA-N
-E4F44CA21FDC181B_A20C4B70DB29DDDE_6039_UN,CC3=CN1C(=NCC(C1)OCC2=C(C=N[N]2C)[S](=O)(=O)Cl)C=C3,DWTPHOLVLPQSRJ-UHFFFAOYSA-N
-E60D957BCAF62C7E_E3D8C729DC122032_6029_UN,N(CC1CC(C1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@@H](C)O)F)(=O)=O,IBANCCDVQAFMAK-TUBUQKNSSA-N
-E6AB22300EA3C88C_027EF516D1C70F25_6006_UN,OC(=O)C1=CC(=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N4CC[N]3C=CN=C3C4,FILKKTFCKFOVAG-UHFFFAOYSA-N
-E7D017614D7D9AD8_EF78DAE0B683EB5B_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCCN2CCN=C2CC)F,RJQALNGYZGOLFB-UHFFFAOYSA-N
-E7FA92B48CE6063E_F67304CB3E884CF5_6029_DP,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,QLJVANYYSOAAHT-CZIWCDLHSA-N
-E98C35D38B7E7912_87934E508F5284E2_6041_UN,O=[N](=O)C1=CC(=NC=C1)NC2CC(C)(C)OC3=C2C=CC=C3,OLTBVGHJJNUDIZ-UHFFFAOYSA-N
-EA33B3EB619E75B4_958D5B019A20F0E7_6029_UN,CC1CN(CCN1[S](C2=CN=C3[N]2N=C(Cl)C=C3)(=O)=O)C4=NC(=CC=C4)C,FPTZTEMTYNFNKP-UHFFFAOYSA-N
-EA7973BC114CC451_402A151404C15E8E_6041_UN,CC(C)C1=NC(=N[NH]1)C2=CC=C(C=C2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,VLKRMOHPOODKBI-GTKFHXFRSA-N
-EAC31D97C9E9E8F3_82038B829BFDE7D7_6029_UN,OC1(CCN(CC1)[S](C2=CC3=C(N=C2)OCO3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,OMOVIHSPEAKROM-UHFFFAOYSA-N
-ED887ED23D403269_C316E7CB353EB0D0_6038_UN,NC(=O)C1=C(C=CC(=C1)N2CCCCC2)NC(=O)C3=CC=N[N]3C4=CC=CC=C4,BDGVZPCDGVSHHZ-UHFFFAOYSA-N
-EF0CEADB934310D5_63662943083F7CEF_6041_UN,C1(=C(C=CC=C1)[N]2C=NN=N2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,PLJWOFXBPLKYNV-GLWFPNFASA-N
-EF755E00361B4E2B_827D032CAC22E3AD_6029_DP,N(C1(CCC1)C2=CC=C(C=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,OQBOPVPOVABSIC-UHFFFAOYSA-N
-EFED65519AAE776B_5D3215D2B4356419_6031_UN,O(C(=O)CC1=C(C=CC=C1)N2CCCC2=O)CC3=NN=C[N]3C,KRFIXFRXLTZNKQ-UHFFFAOYSA-N
-F0B717313E3DC116_CCA2BD6F7EBFD668_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(O)C3=CC=CC=C3)Cl)(=O)=O)C4=NN=CC=N4,XBXBMPIOEYRLQK-UHFFFAOYSA-N
-F13794F355F47EE4_55F42C6990124419_6038_DP,N(C1=C(C=CC=C1)SC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,IIYFAVHPOMTZDB-UHFFFAOYSA-N
-F1B6B093C0074419_D6A78BB43096C24D_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CC(=NC=C3)O,XVRQRXFQLZMTFJ-UHFFFAOYSA-N
-F27E810C19485D8C_A67686ED4029C1C1_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,BUYWMIHHYRWOQL-UHFFFAOYSA-N
-F5C4A12F3FA1C6DC_BEC877EF297DCD7C_6038_UN,CCOC(=O)[C@@H](NC(C1=C(NC(C(C)(C)C)=O)N=CC=N1)=O)COC,TXYJEEREBZGPNU-JTQLQIEISA-N
-F6681086689BA4D0_A8CEBBC55632EFFF_6028_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C4=NN=C(C3=CC(=CC(=C3)C)C)O4)(=O)=O,FNHRUWCNGGAUSQ-UHFFFAOYSA-N
-F6BE3C02BF1E2F85_F140FAA9C13F1075_6003_UN,CC(OC1=C(C(=CC(=C1)OC)OC)C(=O)C)C2=CC(=CC=C2)[N]3C=NN=N3,KEJDJMCRXROKJZ-UHFFFAOYSA-N
-F870E493F05F58AF_4611E943DF01AFFD_6038_UN,CN(CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC#C,KCZJULPHRZDQGU-UHFFFAOYSA-N
-F8A7537A2AC0C438_8D77A022FACA92F6_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[CH]=[C]3CC[CH2]CC3,CXYDERKOOZEPJV-UHFFFAOYSA-N
-FA8BC9BCE25DF7FF_6251D7186C75C759_6029_DP,CC1CN(CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=NC=C(C=C4)F,PKSWREOLMDKLSU-UHFFFAOYSA-N
-FAF5A05A0E614010_87D7F835CD5AE8AE_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3=C(C(C)(C)C)C=CC=C3,CUCFOPDXERFERJ-UHFFFAOYSA-N
-FDB21BB37AFCB31F_EA29A4BC1FB23B1E_6029_DP,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,BWIPQONVLHTPPO-UHFFFAOYSA-N
-FE5070A5BE3658C9_0E15228CE11A8085_6038_UN,CC1=C(C1COC(C3C(C2=N[NH]C(=N2)C)C3)=O)[Si](C)(C)C,LZLBDMIAYPZOSM-UHFFFAOYSA-N
-FE7562C60597FE09_54138C1D824FEBF9_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(O)C3=CC=CC=C3)=O,VMNUWQHWMZJHBE-UHFFFAOYSA-N
-FEF3138842BEEA07_D93219AA94CEA7EB_7019_UN,C(C(=O)NC1=CC=CC=C1)=CC3=C(O)N=C2C=CC=CC2=C3,YTEOGRXCAYMPAE-UHFFFAOYSA-N
-FFCFAAB8CF8AE7D4_E722C49908D0D9C7_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[N]3C=C(C)C=N3)(=O)=O)C5=C4C=CSC4=CC=N5,KFXGXDNPAMEGPS-UHFFFAOYSA-N
-rxn:2:112178:117066,CC(NCCC1CCC(N2CC(C(C)C)C2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,BDRROWZOGGLQSY-UHFFFAOYSA-M
-rxn:2:94791:124940,CC(C)N1CCC(Nc2c(C3CCC3)cccc2S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,GBLVBJGNOVEWGK-UHFFFAOYSA-N
-00193F8EF2058643_C039092BD4A8CF31_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC(C(N(C)C)=O)(C)C,DHTLOLBXUWPCMY-UHFFFAOYSA-N
-00DE0EECF6B480CB_3F47688EAB8CA3C4_6038_UN,O(C1=C[N](=CC=C1)=O)C(CCC(NC2=NN=C(C)S2)=O)=O,KJPVFNJIVGSYIA-UHFFFAOYSA-N
-01D2B588BB1356EA_5901580454B816E7_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC4CN(C3=CC=CC(=C3)C)C(O4)=O,QJYUFAMAFUVVMA-UHFFFAOYSA-N
-024AB39A118F0F7B_5B5A5B632A97BDE8_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)C2CCCC2)C(=O)C4=C3C=C[NH]C3=NC=N4,AUBPSFQMBRCYEW-UHFFFAOYSA-N
-03B149963A585793_6E33FFAACAC503E2_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(CSC)C=C3)(=O)=O,QMUDUCIIONYQPM-UHFFFAOYSA-N
-0471DB37CD2E8C4F_28048C9BB5FA6384_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC(C3=N[N](C)C(=C3)C4=CC5=C(C=C4)OCO5)=O,AHCSDGICYCMZEW-UHFFFAOYSA-N
-047233E07A22BA9F_DB28A6CDF598EC30_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)N(C)C,NEARLRQSLPOOKT-AWEZNQCLSA-N
-05342C1DD972690A_F93D798156184499_6029_UN,C1CC(=CCN1[S](C2=CC(=C(F)C=N2)C#N)(=O)=O)C3=NC=CS3,NLMSVDKESPQFGR-UHFFFAOYSA-N
-05FC0D9764DC6174_9FD8FCD6FEC30B43_6029_UN,N([C@H]1[C@@H](C1)C2=CN=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,FGHXUTCTDYLUJV-JKSUJKDBSA-N
-071F3F4FDDA43E16_A86C9DE18D1B1C12_6028_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C(C=C3OCCOC3=C4)Cl)(=O)=O,PJLLNVKQSSLKGU-UHFFFAOYSA-N
-0A4443AD540754B4_07D2B2079EAA4FFC_6038_UN,CC(C)C(NC(C1=CC(=C(OCOC)C=C1[N](=O)=O)OC)=O)C2=N[NH]N=N2,XAQYNTDAOWQVGB-UHFFFAOYSA-N
-0A96FDE097952664_21DA5FED8236911F_7019_UN,C[N]1N=NC2=C1C=CC(=C2)C=CC(C)CC3=CC=N[N]3C,GKDWVFMPCJGUHD-UHFFFAOYSA-N
-0C619D79DB355562_0BE106E179D42877_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=NC=C[N]2C)CC3)[N]4C=NN=N4,JJIWFKRAJDMMBT-UHFFFAOYSA-N
-0C95D17B10EC518F_3CA4334EE0BCFACA_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC2C4=C(OC3(C2)CCC3)C=CC=C4,PESRVCAYWPMXJG-UHFFFAOYSA-N
-0D4FC942F6A61B85_812F4055AC961546_6041_UN,FC2=C1C(=NC=NC1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,KRQJGBODLPBPEE-PHIMTYICSA-N
-0E0196578031F90A_782261848ED74F31_6029_UN,C1=CC(=N[N]1[S](C2=NC=C(C=C2)C3CCC3)(=O)=O)C4=CSC=C4,TXMYIYFZVRWEHE-UHFFFAOYSA-N
-0E35070FFA37C8ED_18513787B8C3F157_6029_UN,CCCC2CCC(N[S](C1=CC=C(CBr)C=C1)(=O)=O)CC2,UOUFEOMKJQUTST-UHFFFAOYSA-N
-0E577D3B0F9D58EF_F49DCC6E57B8EF23_6038_DP,CC1C(CC2=C(O1)C=CC=C2)NC(C3=NC=C(C(O)=O)C=C3)=O,CRBWXUOCLSYHPH-UHFFFAOYSA-N
-0EC4DCD248F5DE80_B60C5BDBC863324E_6028_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,OMXVQMIJRCQKBT-UHFFFAOYSA-N
-0ECE488928F7E6CB_2EF74511541A3867_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,IOIPZTJCCXIDRH-XYPYZODXSA-N
-1039892F4365E4AC_B18A74EBD9BE7EAC_6029_UN,N(CC(C1CC1)C2=CC=CC=C2)[S](C3=CN=CC(=C3)C)(=O)=O,SHNOYVVVAPOAMS-UHFFFAOYSA-N
-10E6F261CAE44DC5_B566BAD655B21EAD_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3CCC([S](C)(=O)=O)CC3,DMXWXYNJPRFFKZ-UHFFFAOYSA-N
-1136485BA43341FF_4C1E2A62329D7E70_6029_UN,N(CC(=O)C1=CN=CC=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,QTSJHEAWRMHUII-UHFFFAOYSA-N
-118E4D3DB481D066_74CE19A970A42B16_6041_UN,COC(=O)CC1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,NRIVIHNBZNCBSC-ZDUSSCGKSA-N
-1192712467C96F0B_04C1929DC1A8879D_6038_UN,COC1=C(C=NC(=C1)C)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,DRMOBQYSWBNUGF-UHFFFAOYSA-N
-1262B0B2DA2C7524_FDFF2C1C4ED1F2BC_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(OCCC2)C=CC(=C3)F)N(C)C,TZPMVMGQXLLXGH-UHFFFAOYSA-N
-13E1215C7D8AD7AD_46793D850DA621A0_6038_UN,S(C1CC1)C(=O)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4,PLBOQNBUCBQAJF-UHFFFAOYSA-N
-16807ED7F7210D39_F58157B766A7CF2D_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C3(ON=C(C(C)C)C3)C)=O,NQQAOLGAMCDCDX-UHFFFAOYSA-N
-17A007084908EC18_39469EE6D1F0179C_6029_UN,BrC1=CCN(CC1)[S](C2=CC(=C(COC)C=C2)F)(=O)=O,LFLTZCRYQCNNRE-UHFFFAOYSA-N
-180AD0CF9FA5D3BE_F52186ED5E0141CB_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CN=C(N(C)C)O3)=O,IKSDERWBWASOMM-ZDUSSCGKSA-N
-1860D42181C293F4_CC54E821D68EA26C_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,QNEFFECCKDGIOL-BETUJISGSA-N
-1955FABA3732D603_F317DFFA7FA41A6A_6038_UN,CC3=C(OC(=O)C1=CSC(=N1)NC2=NC=CC=C2)COC3=O,MUPMCOSNJZWNJW-UHFFFAOYSA-N
-19941E28F0DF3529_3CC2D5A630D0C005_6038_UN,CCC(NC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=NN=N[NH]3,IWKIYZDDEKWJHM-UHFFFAOYSA-N
-19982FE1B3AE02EC_8BB665BD61B99B1E_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)F,DAVPCDBWKYWYPE-UHFFFAOYSA-N
-1B712D0435076828_07D0578E422C73B2_6026_UN,C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,XSPWDYOXEAWHAE-UHFFFAOYSA-N
-1BA88D18FE51FB33_F2142C798D0719FA_7019_UN,CC(C)C3=NN=C(C=C[C@@H]1C[C@H]1C2=C[N](C)N=C2)[N]3C,KTVKNZBROKGIHA-DGCLKSJQSA-N
-1D37AFF165004754_AEC5F86E56D86621_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3=C(C=N[N]3C)C(=O)O)=O,XBWFNTLEHRHNKF-UHFFFAOYSA-N
-1D66487444246DB8_811E7ADCE1237D2D_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=C(C)C=C3)CC4,XIFHFBVUKJMIPF-UHFFFAOYSA-N
-1E78598D1917A7E6_16B0458953C3C333_6029_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2)C#N)(=O)=O)C3=NC=CS3,WCAVZPBOGHIDSR-UHFFFAOYSA-N
-1E78598D1917A7E6_67E51B98561866F2_6028_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2)C#N)(=O)=O)C3=NC=CS3,WCAVZPBOGHIDSR-UHFFFAOYSA-N
-206CF2EEA69423ED_5EC8A1025CE6473A_6029_UN,C1=CC(=C[N]1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,YVUZZUDCSGSZRZ-UHFFFAOYSA-N
-22E3F23B234C5F06_2AE591B41DF56BDA_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(N(C)C)C=CC(=C4)[N](=O)=O,CQSNANVJZNVQBH-UHFFFAOYSA-N
-22F5DA4B01D1D8C3_398A781EDEB9D4EA_6038_UN,CC(OC(=O)C#CC1=CC2=C(C=C1)OCO2)C3=NN=N[N]3C,WOABYGLLMMJRAW-UHFFFAOYSA-N
-239CBD560AC36D0D_9B0FC4D8A63D74AB_6026_UN,FC1=CN=C(C=C1)[S](=O)(=O)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,CIIUWDKUOOKIEM-UHFFFAOYSA-N
-2898BAFBCCC7CE2F_9A627B18DF0F7AAA_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O,XJKWUMUGIFAPMO-UHFFFAOYSA-N
-28B2ED68892688FA_ED70A61528DD0F79_7013_UN,CC(C)[N]2C1=CC=CC=C1N=C2C(C)CC3=CC=N[N]3C,OXHAFMUCUVDLAL-UHFFFAOYSA-N
-2AA0E3CA10BBF8BD_69DBAB5AD301C5D3_6038_UN,CSCC[C@H](NC(=O)CN1C=C(C=CC1=O)[N](=O)=O)C2=N[NH]N=N2,XYEIXFCGIGWRGK-VIFPVBQESA-N
-2B0EC9224A4F31D4_538C6C0F027B8F47_6003_UN,O(C1=CC=COC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,RYKYFAUQLKYVLR-UHFFFAOYSA-N
-2C555B1094346D03_1EF81308A04D9360_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C[N]3N=CN=C3N=C4C)=O,RNJFVNSPPXYRAP-HNNXBMFYSA-N
-2C9B08C4A26D400F_772D20594784D26D_6029_UN,C1CC(CCN1[S](C2=CC(=C(F)C=C2)C#N)(=O)=O)OC3=NC=CC=C3,QRFJYCLYTJHJEG-UHFFFAOYSA-N
-2CDC6C1ADB6CADF1_1A1B196737DD11A2_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C3[N](C=C(C)C=N3)N=C4)=O,OSSMHJWCCVQYSE-INIZCTEOSA-N
-31110408979C32D8_A75ABE96F8411C6F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(C)COC4,XLLGIBWYYYIULQ-UHFFFAOYSA-N
-31DFAB07DC3A6BAE_4E7818E3F410E87B_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(C)C=CN=C3,PGUFAQGRHQJBJX-UHFFFAOYSA-N
-3206D07D432BF14E_4AC8E7ED0EE1ABCD_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,GQKFHHSCOGLLKC-UHFFFAOYSA-N
-322B40B68C81FD2B_63003A13687C269A_6038_UN,O(C1=C(N=CC=C1)[N](=O)=O)C(C3(C2=NN=C(C)[N]2CC3)C)=O,UPPFVBYSFLXKST-UHFFFAOYSA-N
-33907A015ABD7C46_58D90D1C25CEA756_6029_UN,N(C1CCCC1CC2=NC=CC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,DIWYNUUVRQNWEK-UHFFFAOYSA-N
-36795A49D41FDEDC_8F96238F65A24E6D_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C(C(C)C)C3=N[NH]C=N3)=O,GIAZBZHIEIHBEL-GICMACPYSA-N
-3800FEF70524BA11_466A1696217929E8_6029_UN,ClC1=C(Cl)CN(CC1)[S](C2=CN=C(OCCCCC)C=C2)(=O)=O,GQQZDMFRWUVMEH-UHFFFAOYSA-N
-3A2507620FB0BE52_4F66D00B4EB139DB_6029_UN,C1C(CN1[S](C2=C(C(F)F)C=CN=C2Cl)(=O)=O)OC3=CC=CC=C3,UBZPDDCWIRTYDS-UHFFFAOYSA-N
-3A33199315B0A609_51DF31F19613A922_6028_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)Br)(=O)=O,SRHVZZVVVGLJBH-OKILXGFUSA-N
-3A95612850F334D9_213EFCB2E8898595_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CC[N]3N=C(C)C=C3)=O,YDVKGTBMHAXJDY-UHFFFAOYSA-N
-3ACA9B0B8101668E_B808B17AC917E2FE_7017_UN,N3([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCC(N)(CC3)C4=NN=N[NH]4,AJLOMVOQRMSLPL-UHFFFAOYSA-N
-3E0841F4EB91346B_B4087478B89CCA4D_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C#N)F)CC3)[N]4C=NN=N4,KKMKKIMFPDPXAC-UHFFFAOYSA-N
-3E969D321E41AF45_791A32E671432441_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(C=C2)[N](=O)=O)OC)O,BXBORLGKFJXBJU-UHFFFAOYSA-N
-404992D9F07D7DE5_7F98BB7090996E48_6038_UN,CC(NC([C@@H]1[C@H](CN(C)C1)C2=CC=CC=C2)=O)C3=N[NH]N=N3,MKMPPVXEQRQMAE-SOYIIFOFSA-N
-41FBDAE2E6DF19AC_B25BA7FA8625A419_6029_UN,C1CC(=CCN1[S](C2=CC=C(C#N)S2)(=O)=O)C3=NC=CS3,OZQIJVYTUACXRV-UHFFFAOYSA-N
-442376376EFA7D0D_E16EA78FB4E7FD20_7019_UN,OC1=CC2=C(C=C1)C(=CC(=O)O2)C=CC3=CC=C([NH]3)C4=CC=CC=C4,MMNWNELPZJUOIM-UHFFFAOYSA-N
-449BF0F9F1BD5326_EE3A007C06A3192F_6038_UN,COC1=CC(=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,SWKCBWYCXDPTQL-UHFFFAOYSA-N
-47314B46763681CD_92925C8642030C9E_6041_UN,CC1=C(N=NC(=C1)NC3C2=CC=CC(=C2OCC3)CC)C,FRWZYVXCPQFVJF-UHFFFAOYSA-N
-47A72B11413C2285_A17B5706D02DF64D_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)NC2CC=C(CC2)C3=CC=C(C=C3)F,QRNPZLIDPBUJHK-UHFFFAOYSA-N
-482CC15E67499DC7_C191186F1030558B_6038_UN,CC(NC(C1(C)COC(=O)OC1)=O)CC2=C[N](N=C2)C,IHGAJFIVYOWKBN-UHFFFAOYSA-N
-48B832BF68FA963F_660FE6F3795A584B_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC=C(CF)C=C2)(=O)=O)CC3,CEXBGACHHGYTIK-UHFFFAOYSA-N
-4A20806D05904C7B_E4816F3B0EE7DEFE_6041_UN,OC(=O)C1=CSC(=N1)C2=CC(=CC=C2)NCC3OC(OC3)=O,YSQZVDMFAZWDRT-UHFFFAOYSA-N
-4F41D4B74C21F465_72DCB4C981EB40EB_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2N[C@H](CC)C(=O)N(C)C,LFMQJMNNBCWXEP-LLVKDONJSA-N
-50F13AF4EE163C92_92A2D061B39AEA13_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CN=CC(=C3)CCO)(=O)=O,RCKMSHYXCRTPEO-UHFFFAOYSA-N
-529F0E344C67697B_06782ECD97294ACF_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=C(C)N=NC=C3)=O,UWCIFSRQPNXMOZ-UHFFFAOYSA-N
-551C381C560DAD59_CC0E36BC323786EC_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3C)Cl)(=O)=O,AWQUTCBBEYJNIY-RDJZCZTQSA-N
-552E80AFFEB40A0E_0A2A0688515DA1F0_7019_UN,CC(C)C3=NN=C(C=CC1=C[N](C)N=C1C2=CC=CC=C2)[N]3C,QELWWDMGFUNSIH-UHFFFAOYSA-N
-56599500921FE470_04B5DDD1C64E94F1_6038_DP,NC1=NN=C(S1)C2=CC(=CC=C2)OC([C@@H]4C[C@@H]3C[C@@H]3N4)=O,MACCMIAFQGSMGK-LSJOCFKGSA-N
-568876087F4A035F_6E733E08F4F1EEB0_6026_UN,ClC1=C(N=CC(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Cl,IFHHSIORLVZGAZ-UHFFFAOYSA-N
-56A595BFF9C6860A_A6ABE99E3202FE01_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N(C2=C(C=C(F)C=C2)I)C3CCC3,WSQRRXMNJFEEHU-UHFFFAOYSA-N
-57478150F6DB4763_6894EA986D87AECA_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,ICWSEVGNDFQFMQ-UHFFFAOYSA-N
-578AF515CE983D0E_B0E4799A2051DA8C_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=C(N(C)C)O3)=O,SSOMDRGRQXHIPH-LBPRGKRZSA-N
-579C9829D845D8C2_1DFE576A9BD78AA9_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=CN=C(N2CCN(C)CC2)C=C3,YJHFZJMKKALMQF-UHFFFAOYSA-N
-579C9829D845D8C2_3A20758A1FEE18C4_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=CN=C(N2CCN(C)CC2)C=C3,YJHFZJMKKALMQF-UHFFFAOYSA-N
-5A9CE81FF91AB49F_798771C4CCB14362_6034_UN,CC(C)C(N)C1=NN=C(C)N1CC2=CC=CC3=C2N=N[N]3C,HEWMFDRTCFYACQ-UHFFFAOYSA-N
-5BB868649263BBAE_8293F3ECFA088CF4_6003_UN,CCN2CC(OC1=C(C=C([N](=O)=O)C(=C1)OC(F)F)F)C2,QEAFWXNGYWFOJE-UHFFFAOYSA-N
-5C7AF2607A86E392_6B52228F30BF0AE9_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=CC=C(C)[N]3C)C,HVCAHQHAHYHOET-UHFFFAOYSA-N
-5D49A4ED5D3406D5_1226BF25E9508E35_6038_DP,NC1=NC(=NS1)C2=CC=C(C=C2)OC([C@@H]4[C@H]3C[C@H]3CN4)=O,GPARVISCHROTKS-LSJOCFKGSA-N
-5E65FBFC49AD8271_FF2F1A4FE2D1FC45_6029_UN,C1CN(CCN1[S](C2=C(C=C(C(Cl)=CC#N)C=C2)Cl)(=O)=O)C3=NN=CC=N3,BPEDOVXGSBRHRI-UHFFFAOYSA-N
-5E9534992308F474_7B12AEB157EA337D_6038_DP,N(C1=CC(=CC=C1)OC2=NC=CC=C2)C(C3=CN=CC(=C3)C(O)=O)=O,ARDBQGPMAZZRPT-UHFFFAOYSA-N
-5EB8529553E18ACD_F3EFBA88BD8C59A6_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CC=C(C3=CN=C(Cl)C=C3)CC4,LRNWVFNRHOILTM-UHFFFAOYSA-N
-5FAAA0F8CC795D6D_D013F8D98B62B9D0_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC(=C3)Br)(=O)=O,AHPLGJQKIQWANQ-CTYIDZIISA-N
-627668C320E6E773_ACA6F42E8F63E3D3_6038_UN,N(C1C3(CC2=C1C=CC=C2)CC3)C(=O)CSC4=NN=CS4,CSRPBINEXLTVGD-UHFFFAOYSA-N
-63EF6686D4299CFE_F040352CA4B24334_6041_UN,C1(=NOC(=N1)C2=CC=CO2)NC(CC3=CC=C(C=C3)S)C(=O)O,WUVJBNKPPZOZKT-UHFFFAOYSA-N
-64DF068D349655DB_77E7CBBDDE883A37_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C(C)[N]3N=CN=C3N=C4)=O,ILGYXDJBTNSMMQ-OAHLLOKOSA-N
-667F5B2202BFC8CD_D6B4FC56F06D3109_6026_UN,FC1=CC(=CC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,YBWSPANCJNTXLD-UHFFFAOYSA-N
-66E215971C5EB682_5EF9FFD18348697C_6038_UN,C[N]1N=NC2=C1C=CC(=C2)OC(C4ON=C(C3=C[N](C)N=C3)C4)=O,ZDQUXEGQEVQVIZ-UHFFFAOYSA-N
-66E9738059C49E5E_8014D3E2E690F4FB_6029_UN,C1C(CN1[S](C2=CC(=C(OC)C=C2C)Cl)(=O)=O)OC3=CC=CC=C3,NDPWPMVUPURNFW-UHFFFAOYSA-N
-69CF2614ECC03EA5_EE20444AB345A756_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC(C)C3CC4=C3C=CC=C4,KPXAXOQHYSWVSY-UHFFFAOYSA-N
-6AD12CCB280F4773_ACBC73A157EEF27A_6038_UN,N(C1=C(C=CC=C1F)F)C(C2=N[NH]C(=C2)CCCCC)=O,AKBCBEOIDZBJKZ-UHFFFAOYSA-N
-6E810B63841CB1EE_57760A12AEB4CC2E_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)CO)(=O)=O,OUFQWDOAIMIYBG-UHFFFAOYSA-N
-6F4C7316F4E879BB_822C8B293448CF9E_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)N(C)C,NEARLRQSLPOOKT-CQSZACIVSA-N
-716684F6F5EA1F7F_4E1EB5AB2F754EAE_6039_UN,O(C1CCN(CC1)C2=NC=NC=C2)CC3=CC=C(O[S](F)(=O)=O)C=C3,PJEKWLLICWXUMF-UHFFFAOYSA-N
-721242CB29AEBBA7_CA44A7F0113D5EF9_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,XJLXYVSHWILLHM-MAEOIBBWSA-N
-73C4489F9D541732_0A74B779235EA37F_6027_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,IGHGTRWBSKEFGF-UHFFFAOYSA-N
-7406AE0E7ED9AD76_44C58E058476EF46_6038_DP,NC1=NC(=NS1)C2=CC=C(C=C2)OC([C@@H]4C[C@@H]3C[C@@H]3N4)=O,RDYCMXDWRJGBRK-LSJOCFKGSA-N
-7493F8E82901D633_4AE4B735F9C81311_6031_UN,O(C(=O)C[N]1C=CC(=N1)[N](=O)=O)CC2ON=C(C(OCC)=O)C2,OYEFKIAKDNPHFX-UHFFFAOYSA-N
-76571C7389F9D553_DEA062705CDD87F7_6038_UN,CC2=C(OC(CC1=CN=C(C(N)=O)C=C1)=O)C(=O)CC2,DIIQELAWRVCIHP-UHFFFAOYSA-N
-76C939BECA1A7525_1AF4212B48B0607B_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3CCC([S](C)=O)C3)C,YBDHMBZONDTRJX-UHFFFAOYSA-N
-76C9C14F8D0C301A_F1744586221B7CC4_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C([S](C)(=O)=O)C=CC=C3,BDTUOIPFKCJKFT-UHFFFAOYSA-N
-78D6C1BC801BBA3E_05E972E3F4286275_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC4=C(N(C)C)C=C(C=C4)Br,MRAVKHQHJZFKIS-UHFFFAOYSA-N
-79E484473F65FE2D_B0627B1C33FF82F5_6031_UN,O(C(=O)CCNC(=C1C(C=CC=N1)=O)O)CC2=CN=C(C)C=N2,DFFVWCKBSVUTBU-UHFFFAOYSA-N
-79FFA340B56A6CEE_F2D3925C1EE181F9_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC(C)(N)C3=CC(=CC=C3)[N](=O)=O,YHLPYFWTODJGLJ-UHFFFAOYSA-N
-7BA8C974DF13BF62_A5B746F7660B4701_6039_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)CC(NNC(C)=O)=O,RURSPKKZYGDAGB-UHFFFAOYSA-N
-7BE1210A43A69E2D_ACBC0BA2518FBF98_6029_UN,N(C1CCCC1CC2=NC=CC=C2)[S](C3=CC(=C(C)C=C3)CO)(=O)=O,CSTMGEKLLOVCOI-UHFFFAOYSA-N
-7DAF9C487818D66D_D15E430C1FC2D1C8_6041_UN,COC1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,PVGRUDFLSQSKBY-NSHDSACASA-N
-7E9E67C17679C275_4B9E9F4CE1589ACB_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=NN=C(C)C=C3)=O,BSOOQRUGQDMYLH-ZDUSSCGKSA-N
-7EDBD2F35096F204_1D596C0684C5A0AF_6041_UN,O[S](=O)C1=C(N=CC=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,BKIXWZRCDDWJGU-LBPRGKRZSA-N
-7F7359AB66201823_2B8E897165768AA4_6031_UN,O(C(=O)C1=CC=NO1)CCCNC(=C2N=CC=CC2=O)O,RWXFEVHELDNXJH-UHFFFAOYSA-N
-812C0C895F02EEF7_612200E96F4AD29F_6029_UN,C1CC(=CCN1[S](C2=CC=CC(=C2)C(C)C#N)(=O)=O)C3=NC=CS3,HGZCAYQXFCWRLW-UHFFFAOYSA-N
-82133EC81CFA55F0_D8FB72BF2361BE12_6026_UN,[S](=O)(=O)(C2=C1OCCOC1=CC=C2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,YAZCDQGELXMQHP-UHFFFAOYSA-N
-84044EC0A72A2E23_2BFCC8BF173DDA9C_6026_UN,FC1=NC=CC(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,JPHSSJAVHWVIGF-UHFFFAOYSA-N
-85794F0B0CB9B74A_E6739FE962BA66F9_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C#N)C=CC=C3)CC4,FQQYUOJJJNYERY-UHFFFAOYSA-N
-86E306BFA03DB1A2_6609BC74CBA809DE_6038_UN,CC2=C1C(COC1=CC(=C2)OC(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O)=O,YPBBOEHEMHMIDC-UHFFFAOYSA-N
-871DA7965FBE4F61_A4FFCEF5CB2DD024_6026_UN,ClC1=C(C=NC=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,SOEKUAKNJIZOCF-UHFFFAOYSA-N
-8971ED2850EF1EB8_B29CBFA92C157529_6041_UN,SC2=NN=C(C1=CC=CS1)[N]2C3=CC=C(C=C3)NCC4OC(OC4)=O,NQBOZEGVIDANPJ-UHFFFAOYSA-N
-897C558BB04EB11A_60F402320B647635_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,YHIAGWNMBRZJPQ-UHFFFAOYSA-N
-8A4F17076BE64A8E_FAF251157B507F3A_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(C(O)=O)C=C3)=O,DMFAMWHHGGTOFJ-UHFFFAOYSA-N
-8A78177561D8DA73_49EC71310209984F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C(C)[N]3C=NN=C3N=C4)=O,PJDONXVPNBLCDP-OAHLLOKOSA-N
-8DBFD74ED92C8793_5334582F6AAED0D2_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(=O)CC(C3=CC=CC=C3)[N]4C=NN=N4,BXHQQVSZTNVROC-UHFFFAOYSA-N
-8E6DD222F07D3F5F_F92758A478F14F58_6025_UN,C1(=CC=C(C=CC(=O)O)S1)C2=CC=C(C=C2)OC3=CC=CC=C3,ANASSJOZEVQZOS-UHFFFAOYSA-N
-8FC5F9D9C8AC9D7B_55EC1B2B2537D829_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3=C(C)N=C[N]3O)=O,DBTHUWOGGWYPAR-UHFFFAOYSA-N
-912C4E0304E43439_12A93FCEC2AF77DC_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C#N)C=CC=C3)CC4,RAMUWYDNSXIGCO-UHFFFAOYSA-N
-916A114EF660D3F1_40F879F62003B346_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C#N)C=CC=C3)CC4,JACMDURXDXJEDW-UHFFFAOYSA-N
-919255FB90598E83_5E4B894E4A6BB36F_6038_DP,NC1=NC(=N[NH]1)C2=CC=C(C=C2)OC([C@@H]3CSCN3)=O,ZYAVAWBGDXMCDH-VIFPVBQESA-N
-91C18422F7361F27_5FDEE610498D8AE5_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C3[N](C=C(C)C=N3)N=C4)=O,MDEROKVDAUWWQE-HNNXBMFYSA-N
-92A3894966963E36_3DA1863ABE62BAB7_6005_UN,C1(=CC=C(C=C1)OC2CCC2)C3=C(C=CC(=C3)C(C)C)O,XQZQMWRIVFPMNV-UHFFFAOYSA-N
-945A707C5552DDF9_86881E3E0AE1689C_6038_UN,N(CC(C1=NN=C[NH]1)C2=CC=CC=C2)C(C3=N[N](CO)C=C3)=O,BRJJPNRQWKAYHK-UHFFFAOYSA-N
-9473480D122DE7C9_966E96FCF6416447_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCCC3=CN=CC=C3,UCBFWAFMPUQDKC-UHFFFAOYSA-N
-9490465E950E3E82_079CB3FB9A668815_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=CC(=C(N(C)C)C=C4)[N](=O)=O,DVFLAEOPKCOCSM-UHFFFAOYSA-N
-98496E27EB34AD34_89AE7ED237F07B1E_6026_UN,FC1=C(C=CC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,ZRMKQCSCBXMNFS-UHFFFAOYSA-N
-9E083C9C67AE5F9B_60A19A8655A9A6EA_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCC3=C(C)C=CN=C3,XFNOSMPRANOVFK-UHFFFAOYSA-N
-9E68D8C76705B12A_ED966E2B2EDA47EB_6038_UN,CC2=C1OC(C=C(C1=CC=C2)OC(=O)C3=NOC(=N3)C4CC4)=O,CCJFHOROWNHIPF-UHFFFAOYSA-N
-A167CE6AAA187A7C_5DFC4580616D7D2D_6038_UN,CCN1C(OC(C1)CNC(C3=C[N](C2=N[N](C)C=C2)C=N3)=O)=O,QOVFFSCYFDBLFL-UHFFFAOYSA-N
-A24032C11736AFAE_F9E8FAC4F83A0E40_6038_UN,CC1=C(C(=CC=N1)OC(C2=C[N](CC(N(C)C)=O)N=N2)=O)[N](=O)=O,KHPDYPDLRJKOPP-UHFFFAOYSA-N
-A38B8417C1181851_6877A6961947CA33_6039_UN,CCC2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C(=O)CC2,TWQLHAINYVLRTO-UHFFFAOYSA-N
-A482BC7BA2BD242D_630826C65F7EB053_6034_UN,CC(Cl)C1=NC(=NC(=N)N1CC2(N)CC=CC2)N(C)C,VLNGNXIYDPXKON-UHFFFAOYSA-N
-A4CB052586F597E8_328700FD3C1C5BD9_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C3=CC(=C(Cl)C=C3)Cl)C4CCCC4,VPJLOHLBNTVSQK-UHFFFAOYSA-N
-A4D863A180840983_FF6CBFEF4AF5D76F_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,VHMYHELIKHNOAF-UHFFFAOYSA-N
-A6A1D42BA979A3F5_00D218F7DD98D933_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(=O)CC2=CC=C(C=C2)[N]3C=NN=N3,VPEOPKDUPNOUIV-UHFFFAOYSA-N
-ABC64FC6194706CF_7F98A208E0F3D40A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCCC3=CC=NC=C3,GWMKYUKRSOMWRX-UHFFFAOYSA-N
-ACDAAF5CF484EDBB_100914F22096C60A_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC2CCCC2C3=CC=C(C)C=C3,IADSHNDSUCHMSN-UHFFFAOYSA-N
-AEDE54225B6824EB_B43893A0DB806F99_6038_UN,CC3=C(OC(C2=CC=C(N1N=C(C)CC1=O)C=C2)=O)COC3=O,SFCFMCUZQCEYEJ-UHFFFAOYSA-N
-B1E8BDA9EF2216C8_1119C645205EF834_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2)C)CC3,OMFXCSBYUZENRB-UHFFFAOYSA-N
-B2AFE21E5A0E4C40_33897EECFBC7B408_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,SSTNLYVHJTXQDV-UHFFFAOYSA-N
-B2DF789B1F89C0A4_9D257E5BCA3DD497_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C)C=NC(=N3)C4=NN=C[NH]4)=O,YRWVPIWMTDXBQR-ZDUSSCGKSA-N
-B31FAFBA40345B69_ADF92010B293E87C_6038_DP,N(CC1=C[NH]N=C1C2=CC=CC=C2)C(C3=CC(=NO3)C(O)=O)=O,WYORDKCEFKBMKG-UHFFFAOYSA-N
-B663633A151D9DB4_2B24B400725DC456_6029_UN,FC1(CCN(CC1)[S](C2=C(C(C)CO)C=CN=C2)(=O)=O)C3=NC=CC=C3,SBNOIMOJPNVRIC-UHFFFAOYSA-N
-B6E3E3EE2C18D333_A064BC57A96884F1_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(C(C)C)[N]2CC3=CC=CO3)(=O)=O,XKKLVJBGYPJKBU-UHFFFAOYSA-N
-B84DE779D94B31F1_CBF437A9BBBFAA12_6028_UN,C1CC(=CCN1[S](C2=CC=C(C=C2)C#N)(=O)=O)C3=NC=CS3,KSJXMCLYGJLDKN-UHFFFAOYSA-N
-B974AFFDBABBA54E_E9AE2731597C1222_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(OCCN(C)C)C=C3)(=O)=O,QXSUYSQDRGOMJT-UHFFFAOYSA-N
-BA8EE42623EC9A55_E1B4D2B7A1D8F666_6041_UN,CC1=C(C=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,MGQSIROEVJGXFT-GFCCVEGCSA-N
-BB36FC70025CB50E_BEA9BE426F910C73_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=CC3=C([N](C)C=N3)N=C4)=O,JLUHVYITTGLSKK-AWEZNQCLSA-N
-BCF724C77F19159B_840FB577D3114800_6026_UN,ClC1=NC=C(C=C1)[S](=O)(=O)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,XZNHTOJCNFESOW-UHFFFAOYSA-N
-BF1FEC0D2B66B006_06CF2940D37F86C8_6029_UN,N(CCC1=CN=CN=C1)[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O,DZBGXAJNAZYWEJ-UHFFFAOYSA-N
-BF7A4AFFF5F23502_4ABE696FB1DB7EC9_6026_UN,ClC1=CC(=CN=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,PSQFVRBSAMYWHK-UHFFFAOYSA-N
-BFC75D17D0FEA7B0_E519D4601D27189A_6029_UN,N(CC(C1CC1)C2=CC=CC=C2)[S](C3=CN=CC(=C3)CCO)(=O)=O,YFSIFXHNFGVRGZ-UHFFFAOYSA-N
-C01DDB69CF995EA8_B1BCD6208D2A419B_6041_UN,CCC1=NC=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,TZGSCVCWJVDNQL-ZDUSSCGKSA-N
-C064C227F6AF844C_7FFFBAE35899478D_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC=CC3=C2OC(C)(C)C3)N(C)C,SEFGPVRNIJNBJJ-UHFFFAOYSA-N
-C182C973A4107AB6_24DFCA0DA5B7821B_6035_UN,CC3=CN1C(=NCC(C1)OC2=NC=C(C=C2)[S](=O)(=O)F)C=C3,UUBSAWYYEMDAEV-UHFFFAOYSA-N
-C2A183B36EE1A5C9_DD1DDB17D0CE0E97_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@H](C)C(=O)N(C)C,RASPCMJTFPMFJU-LLVKDONJSA-N
-C3869386551604E8_ABF50BD65D6879A6_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=NC=CC(=C3)CO)(=O)=O,LHLSTEPGRTVNSR-HUUCEWRRSA-N
-C46278E74026E3E5_CE40426950DEF78C_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=CC=C(C#N)O3,ZLPNZDRKRGFNBS-UHFFFAOYSA-N
-C4CAE6C5EE3F1494_BED167631DEF9B7F_6027_UN,C1CN(CCN1[S](C2=C[N](C)N=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,GCWPASSVDPYWAE-UHFFFAOYSA-N
-C4CAE6C5EE3F1494_BED167631DEF9B7F_7015_UN,C1CN(CCN1[S](C2=C[N](C)N=C2)(=O)=O)C3=NC(=CS3)C4=CC=CS4,GCWPASSVDPYWAE-UHFFFAOYSA-N
-C57F8A0CBB5FD175_1642CE6B9F3E1E6A_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O)C3=NC=CC=N3,CZOIESQOWCSBHB-UHFFFAOYSA-N
-C5BF8DE700C52458_6325DB3B80BB68B8_6038_UN,CC1=C(C2=C(N=C1)C=CC=C2)NC(C4C(C3=N[NH]C(=N3)C)C4)=O,KPWCOBNSEZKHLE-UHFFFAOYSA-N
-C78A48CE77C96234_9FBAE600426BC446_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O,KBYNHBQPKVBMHR-DOMZBBRYSA-N
-C7B67C7F0EBA6DB1_E98C01FC9A9B38D8_6039_UN,CCOC(=O)C2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C(=O)NC2,LDBOVSQKBGMCCX-UHFFFAOYSA-N
-C876F642B1CD50C2_B65913E1A335191B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=C(OCCC)C=C3)Cl)(=O)=O,LUGXYFUVVQZZCJ-UHFFFAOYSA-N
-C8F362E8BCDBF1BB_C7C73BC6B1363601_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C(C(C)C)[N]3C=NN=C3)=O,UOGOFZXNEHCYTF-LBAUFKAWSA-N
-C98D5C49E495E4BD_1ECDAA81490B188E_6041_UN,C1(=NOC(=N1)C2=CC=CO2)NC(CC3=CC(=CC=C3)S)C(=O)O,JTEWZVGNVWYRNV-UHFFFAOYSA-N
-CB6385C5644F8E3D_1AA64975049F078D_7022_UN,C2(=C1CCOC1=CC=C2)OCC3=CC(=C(C=C3)F)[S](N4CCC(C)CC4)(=O)=O,ROVTVQYTNSSUHL-UHFFFAOYSA-N
-CBA500F6D3DFB003_84B88BAAB32A3E7A_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3C2=CC=CC(=C2OCC3)OC,ZHMKUDIGAWZXRH-UHFFFAOYSA-N
-CD00E5A9C8E8D56B_712087440C8D1DE4_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCCC3=CN=C(N(C)C)C=C3,MDCCZPVRENLLIJ-UHFFFAOYSA-N
-CD2968A5E3894BB8_E1083C2F4294D7AB_6038_UN,CC1=C(C(=CC=N1)OC(C3C[N]2C(=NN=C2C)C3)=O)[N](=O)=O,KDUVFTOYDRZFDX-UHFFFAOYSA-N
-CD43A9A96C265597_4CFF6B268A2B4D54_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=N3)CC4)Br,GJGZLHJFGZEYRW-UHFFFAOYSA-N
-D0AAB1934E390B59_0D84E76390D4F86C_6029_UN,C1CC(CCN1[S](C3=C2C=CC=CC2=CC(=C3)C#N)(=O)=O)C4=CSC=N4,UYBSEMNNSWKWQV-UHFFFAOYSA-N
-D0F225F87A7F3C8C_A088EAC289E6D28A_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C3=N[N](CO)C=C3)=O,ZSKNGIJRDDKWFN-UHFFFAOYSA-N
-D118D9F052295C8A_5F2E66B06AFB932F_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,LYEMQYKLXLKAPB-DLBZAZTESA-N
-D1BEC010C57FD402_7434E9997E7E694A_6038_UN,O(C1=CC=CC=CC1=O)C([C@@H]2C[C@H]2C3=CC=CC(=C3)OC)=O,BPIUKZIKSOCDDP-LSDHHAIUSA-N
-D1DC305A2A327095_3954208EE978804F_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,JAXQCEPWRHPPIL-UHFFFAOYSA-N
-D2F2292D35743B1F_722237DC72D1B23A_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C([S](C)(=O)=O)C=CC=C3,PKOAHCNAQMHJJH-UHFFFAOYSA-N
-D48A2BC6AD6CEBA8_C0829A3A6F7ADD50_6041_UN,CC1=C(N=CC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,RRNOHBGVTFYJAC-ZDUSSCGKSA-N
-D502DB5AFE9656FE_B6FA327277657D45_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,BARILTIYWHESIH-UHFFFAOYSA-N
-D641A006D43DB4D0_5EF16ABDDC9BDD10_6029_UN,C1CC(=CCN1[S](C2=CN=C(C(C)C)C=C2)(=O)=O)C3=NC=CS3,LJDFPGHRUQUVRW-UHFFFAOYSA-N
-D73E7F277905188F_D9105DB41DAA63CD_6038_DP,NC1=NC(=NS1)C2=CC=C(C=C2)OC([C@H]4[C@H]3C[C@H]3CN4)=O,GPARVISCHROTKS-INTQDDNPSA-N
-D92CCE086C38CC0D_A5C082C18434B42A_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,FMJGNWAWSVIDPO-UHFFFAOYSA-N
-D93D767764A98753_B3E7DA6BCC5F13D0_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C[N]3N=CN=C3N=C4C)=O,RNJFVNSPPXYRAP-OAHLLOKOSA-N
-D97F5AF7BBF0738B_46C0BE787099A3E8_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OCCC2)C=CC(=C3)F)[S](=O)O,QORHPMMANODIDP-UHFFFAOYSA-N
-DA033DBF4827F278_12140A408427A509_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=NN=C[N]3C)CC4)Cl,LMBNTODFJMADTB-UHFFFAOYSA-N
-DB5CAEFE4D9EA690_1686EE73AFB8B921_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4(C3=C(C=C(C)C=C3)F)CC4)=O,KIWRYAQOSLPSRN-UHFFFAOYSA-N
-DB61DADE187265E4_919ED30118E51136_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC(C(C)C)C(=O)N(C)C,VCIWZLOSRGOJIU-UHFFFAOYSA-N
-DD2F7B4795D8CAAA_321822DCD1E0145D_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,ZEYNLRHAWSFFMS-UHFFFAOYSA-N
-DD5A75D0DAD53656_A670E0CEFA7535BD_6038_DP,OC(=O)[C@@H](NC(C1=C(C(O)=O)N=CC=N1)=O)CC(=O)O,WHAKSHBEJXGBLA-BYPYZUCNSA-N
-DD6E28CC06478593_88243A7D1C078B96_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=C(C)N=C[N]3O)=O,XWLAWBCFOUDOOO-UHFFFAOYSA-N
-DDEE190ACC5677AA_FA93EFE94DDD3289_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4,VKRPQLLSMPFZOB-UHFFFAOYSA-N
-DE7F270337256DC5_5C5FDC6E669C23D5_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCOCC4,CEXKAZCITCTTLW-UHFFFAOYSA-N
-DF16491984DEF6EC_DA14943150B14017_6038_UN,CC(C)CC(NC(C1C2=C(N(C)C1)C=CC=C2)=O)C3=NN=N[NH]3,HMGSIGXKZOQVFS-UHFFFAOYSA-N
-DF609E89C5A1B699_A40EB1F130A3A0E9_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NCC3CCC([S](C)(=O)=O)CC3,VOERPDVWGVVCMD-UHFFFAOYSA-N
-DF86FFDF8F321A42_91D41D5B7C5F6C0D_6029_UN,C1CC(C1)C2=C[N](N=C2)[S](C4=CC(=C3N=CC=CC3=C4)C)(=O)=O,YGILHYAUCHRQHD-UHFFFAOYSA-N
-DFD28F3167E6BB6F_4FCBBA2ED88340CD_6038_UN,CC(C)CC(NC(C1=C(N(C)C)N=CC=C1)=O)C2=NN=N[NH]2,GVORRPKZLSCWOE-UHFFFAOYSA-N
-E24C7D64B08EE795_3E2F2B5F4B7C9AD2_6041_UN,CC1=NN=C([N]1C)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,DSZGPDVZNCKKIY-UHFFFAOYSA-N
-E3A5F38D610CC3A4_E0FAF8AA5A96EB2E_6041_UN,CC(C)C1=NC(=NC(=N1)NC2C3=C(OC(C)(C2)C)C=CC(=C3)F)N(C)C,NEARLRQSLPOOKT-UHFFFAOYSA-N
-E446F19C1B72C24F_8945EF9EE01AFFA5_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)CCN(C3=C(C=C(N)C=N3)Cl)CC4,ZJEQUDVCWMXQJZ-UHFFFAOYSA-N
-E52E63E51DF86764_9D308E9F2FDEC8BB_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC(C(N(C)C)=O)C3=CC=CC=C3,GUPJVXMEKNQZPQ-UHFFFAOYSA-N
-E6128E620F5E6752_5209598EAA858159_6026_UN,[S](=O)(=O)(C1=C[NH]N=C1Br)NC3=C(N2CCN(C)CC2)C=C(C(=C3)Br)F,OTMUIDCIZSAGJN-UHFFFAOYSA-N
-E6D94AC1753DB403_46080F8116AB44E4_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,WYYJWFYKKWCSFW-UHFFFAOYSA-N
-E867C7E71325BE26_365E1C69B1DDEED8_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NCC3C(OCC3)=O,LAZBIJUOZPISEV-UHFFFAOYSA-N
-E8E134EB7B3A96A0_B66C9ED64F2D1324_6029_UN,C1CC(CCN1[S](C2=C(Cl)C=CC(=C2)C#N)(=O)=O)C4=NC3=C(C=CC=C3)S4,NLMBWQBTTSDZHU-UHFFFAOYSA-N
-EA77626DFCCB91F9_577BA376F2B085F0_6041_UN,O[S](=O)C1=C(C=CC=N1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,JIUAOBIUNDXJJX-ZDUSSCGKSA-N
-EDAA13AC96F19EBA_544DFEAA0C1BB5EA_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCCN(C)C)C=C2,PTAPHAFJDTXGSZ-UHFFFAOYSA-N
-EDFC232C8D02BB30_5F71A99187764F28_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,DYCFTEIFPZCXCJ-CYBMUJFWSA-N
-EE33B10CCB2292BC_58D905303FB3F5C5_6041_UN,C[N]1N=CC(=N1)NC(C2=NC3=C([N]2C(C)C)C=CC=C3)C,WMHZCWZQIICQEJ-UHFFFAOYSA-N
-EECAAEFAC88BD4BD_31C49B476E61944E_6029_UN,C1CN(CCN1[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C3=NC=CC=N3,TWKVGQLNRUJTQT-UHFFFAOYSA-N
-EF67B694E6E96B01_16DD15E6EACF7204_6028_UN,C1CC(CCN1[S](C2=CN=C(C)C=C2)(=O)=O)C3=NC=CS3,AOFRGARJHXIUII-UHFFFAOYSA-N
-EFEC26F0A3F79C44_5B04845A63546566_6041_UN,O[S](=O)C1=CN=C(C=C1)NC2C3=C(OCCC2)C(=CC=C3)F,ZYFUALLQGQHKNE-UHFFFAOYSA-N
-F0CB198077F53765_F9B37FEB421B7B98_6038_DP,OCC1=C(C=CC=C1)NC(C2=N[NH]C(=C2)CCCCC)=O,KCQAZRMFCXSRFH-UHFFFAOYSA-N
-F179D2300F62F75A_AD33E941F004933E_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(=O)COC3=CC=C(C=C3)[N]4C=NN=N4,NBVFMWFKIWFDEI-UHFFFAOYSA-N
-F3D2B4542C47CAC5_F24B709CBBF4CC0D_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCCCC3C(OCC3)=O,OCOVZGUFEALEHB-UHFFFAOYSA-N
-F3E5D52D27FDCAD9_CBC1A5445F4E9943_6041_UN,CC(SC2=C1C=CC(=CC1=NC=C2)NC3=CC=C(C=C3)C4=CC=CO4)C(=O)O,XHJIDPBHKJIHOI-UHFFFAOYSA-N
-F51392D49A5252C3_B39ED3530A963144_6026_UN,ClC1=CC(=NC=C1)[S](=O)(=O)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,KAJSCEXNBNRYMJ-UHFFFAOYSA-N
-F72CBE62C2D75940_68376A14693B6C67_6038_UN,CC1=C(C(=CC=N1)OC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)[N](=O)=O,YSLODJSTKBBBHO-UHFFFAOYSA-N
-FA4D493FB6C3D031_7F69535C6838551B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CCC(=O)O)C(=O)O,CXFBMHOWEVYKQL-JTQLQIEISA-N
-FC9CE437BE9E5556_EF70E67FE548EEBB_6029_UN,N(C[C@H]1[C@@H](C1)CC2=CC=CC=C2)[S](C3=CC(=NC=C3)CO)(=O)=O,QCFCTNBGJIFHFL-CABCVRRESA-N
-FFDD250F5EC06E6E_BC4235B79789C43D_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NCC3=NN=C(C(C)C)[N]3C,JELWEHRFCLMEEJ-UHFFFAOYSA-N
-FFE62121A3611590_4E6E9DA34C2E0044_6041_UN,CC1=C(N=C(N=C1)NC2(CCOC3=C2C=CC=C3)C(=O)O)[S](=O)(=O)C,IOGYOSFLUINGNF-UHFFFAOYSA-N
-00E10384565647B0_204E38ED42B2748B_6034_DP,C(NC2=C1[N](C=NC1=NC=N2)CC3(CC(OC)(C3)OC)CN)C4=CC=CO4,SEFAILAZWUFPER-UHFFFAOYSA-N
-029967AFEA625290_6A40B6EEAC1D8681_6038_UN,CN(C)C2=NN=C(CNC(C1=C([N](C(CC)C)N=C1)C)=O)[NH]2,SLMUWSRJOCLJOP-UHFFFAOYSA-N
-05772C9239283593_D1EA2B5D582BFB33_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=CN=C(N=C2)C3CC3)(=O)=O,XMHXFILDQVMOJS-UHFFFAOYSA-N
-06DA66B975E07D95_0F74F0DCED4C27D0_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N(C)C3CC3)C4,SVWIXQVGIMNNON-UHFFFAOYSA-N
-06E91062D2B6E3A1_92283C3E3A51AF14_6038_UN,COCCOC1=NC=C(C=C1)CNC(=O)C3=C2C=C[NH]C2=C(C=C3)F,GATLIQYAMLODPW-UHFFFAOYSA-N
-07C94415C5D9A685_6DA31662912383EF_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3(C)CN(C3)C4=CC=C(C=C4)F,GDSMEBVYIONSNA-UHFFFAOYSA-N
-07CF2A6007D53956_5A0C106DC135919B_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC=C(C=C3)OC(F)F,RQZYBRQMOOBUPJ-LSDHHAIUSA-N
-09A8B0A21AAC1A79_440DE9A973F34D6B_6038_UN,CC(NC(CCCCC(OC)(C)C)=O)CC1=N[NH]C(=C1)C,PWJZBDTXUUJSSD-UHFFFAOYSA-N
-0A5146EE53AC1FB2_92440BBC4CF17815_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=C[N]3C)CC4)Br,PPKUYPYLZJYVOI-UHFFFAOYSA-N
-0AABBC7A7A3AFD2E_EF7AAF88C579E0BF_6038_UN,CCCC(C)C(C)NC(=O)C1=CN=C(N=C1)N2CCOCC2,VARGPAAGGGURNX-UHFFFAOYSA-N
-0CD7ABB1546A33DA_3926B6C8499D3D59_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C(=CS2)CC(C)C)=O,OTFDRJMISMLDDL-UHFFFAOYSA-N
-0E889797A9DEC05B_6B5635376204BEA3_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=CN=C(N3CCN(C(OC)=O)CC3)C=C4,MGFBSBZRCIOQNK-UHFFFAOYSA-N
-101F9F7834F54292_6A73C78DDF4CF17B_6029_UN,C1ON=C(C1)C2CCN(CC2)[S](C3=C(F)C=C(C=C3)C[N]4C=C(C=N4)[S](=O)(=O)Cl)(=O)=O,MOHDXGWVDBUBNL-UHFFFAOYSA-N
-103AB3D0B9D0BA31_F7CFE979E083059C_6029_UN,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C3=CN=C(N=C3)C4CCC4)(=O)=O,KGLGYUQGLWWYPR-UHFFFAOYSA-N
-1057BA226E989117_B4F2A593246AA694_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=C(Cl)C=C(N=C3)C4CC4)(=O)=O,AAZGDSJWKQYXPO-UHFFFAOYSA-N
-1491B38B13260FDC_CD9CC10E7C585813_6038_UN,CC(C)C(NC(C(CCN(C)C)=C)=O)C1=NN=C[N]1C,BMXAAODDQWOSQD-UHFFFAOYSA-N
-15512B85970E3EDF_80CC9041C44543CE_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,ZWGFCZLXJRQYGE-UHFFFAOYSA-N
-156F7C39F2CFA6A2_48D183EBF1303438_6029_UN,C1CN(CCN1[S](C3=C2C=CC=NC2=C(O)N=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,RNERXNKGPSYXQQ-UHFFFAOYSA-N
-16A6A1BAB462AC57_ACF89E7FE601E6AB_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,UKRRHHXOBIYOCS-UHFFFAOYSA-N
-1724273D073C8A0B_B08ED2D635FEF872_6034_UN,CC3=CC=C(CNC2=C1N(C=NC1=NC(=N2)Cl)CCC(COC)(C)N)O3,JYHUIZOTNMWSDM-UHFFFAOYSA-N
-195833AFA30E7E5C_FD13953812870690_6038_UN,C[C@H](NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)CC3=NN=N[NH]3,GIWQJAVJDQITCI-QMMMGPOBSA-N
-1A2D2131B35DD833_BD3C2FDE2B6B04B5_6038_UN,COCC(NC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)C3=NN=N[NH]3,NJKHEOIYYRAKMS-UHFFFAOYSA-N
-1B23393DDF27433F_B44DACD3343569F6_6029_UN,N(CC1=CC(=NC=C1)C#N)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,ZIZGZKIBIIUJBP-UHFFFAOYSA-N
-1B2CE2E7356B4280_9FA8F130D1462985_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC[C@H](CC(OCCOC)=O)CC(C)C,XJRSLJIHXVMQIJ-ZDUSSCGKSA-N
-1CEA2624CBD15FF6_05755BED3CFC2104_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#C)C=C3)CCC4,XBFLEXSVGLSVIP-UHFFFAOYSA-N
-1DB4277469FF15B5_90CF5FF916D67371_6029_UN,C1CN(CCN1[S](C3=C[N]2N=C(C)C=C2N=C3)(=O)=O)C5=C4C=CSC4=CC=N5,GJEGLPCLQZFOOP-UHFFFAOYSA-N
-1E09C03EC8D581AD_09F442F71664EF09_6038_UN,C[N]3C=C(NC(=O)C1=NC=C(C=C1)C2=C[NH]N=C2)C(=N3)C(=O)N4CCOCC4,JIKQZDMOYGKOOI-UHFFFAOYSA-N
-1E507016B4177BD1_F67E33E9FB6A0E33_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=CC(=C3)C4=NC=C[N]4C,GSULMFDFFJEEHU-UHFFFAOYSA-N
-1F4869F4598108D5_3CEBE5925889D6B5_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]3[C@H](C2=CC=C(C)C=C2)C3,OTKXGNOKJNOXGW-JKSUJKDBSA-N
-220D3092DC24FC4E_728D2B02872BB3CE_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,JKEASYXAKJSEQE-UHFFFAOYSA-N
-22DD4636F040936C_785C0DCFB898E63B_6029_UN,C1CN(CCN1[S](C2=C[N](N=C2)C3=CSC=N3)(=O)=O)C4=NSC5=C4C=CC=C5,AYRMVCOYOZRQFG-UHFFFAOYSA-N
-2364F865142056DB_EE61C974879AC3A0_6041_UN,CC(=O)C1=C(C=N[NH]1)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,ZKMZIUJYCMFBFN-UHFFFAOYSA-N
-25AAF147942FF3EB_0921FBCACDFE7B77_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(OC)C=CC(=C3)C(=O)N4CCCC4,MJANYCYTGWEDAA-UHFFFAOYSA-N
-26C14D8FC94613F3_24B32B97A8C42736_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4,CVEZQGRWKSIPDK-UHFFFAOYSA-N
-293436C6D345FFB1_6C7FF3A5C320F3AD_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=C(C=C(C=C2)C3CC3)Cl)Br,FGGXXLZNCSNHSO-UHFFFAOYSA-N
-2A475BFF5F70F225_027A0F78B68268D1_6038_UN,CCN1CCN(CC1)C2=NC=C(C=C2)CNC(CCC(C(C)=O)(C)C)=O,GEXMHVSVEIXNCT-UHFFFAOYSA-N
-2AE20E901845F2CC_EA7AC4F918738788_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4)Br,SLUWHAYCPKXMRT-UHFFFAOYSA-N
-2D1CDD6A32F50C8C_DA1EC51078F2DDFF_6038_UN,CCC(CC)C1=NOC(=C1)CNC(=O)C2=CC=C(C#N)[NH]2,PYRNGNOCTXXYRV-UHFFFAOYSA-N
-2D263C4D93E98159_EE9CFC66A392A8F9_6038_UN,CC(CNC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)C2=NN=N[NH]2,ARDTYHHZBQKEPO-UHFFFAOYSA-N
-2D30755F60E1E004_0658A0923A097733_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4,XPKCISJUEDPWFD-UHFFFAOYSA-N
-2D5284A2F01DB9B2_DA46240C6DF312F7_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,FCSVWNGCCJWTOA-UHFFFAOYSA-N
-2FB2551420E4526D_1EC1479C14AFD1F1_6041_UN,FC1=C(C=C(C=C1)C2=CN=NC=C2)NC(CCCC)C(=O)OC,QQNHKUZERQMECZ-UHFFFAOYSA-N
-30876DB464290AB9_8316C1B9231AB042_6038_UN,COCC(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=C[N](N=C2)C,SXOAMKNMVRRTSD-UHFFFAOYSA-N
-323923755A373237_3CF70EA6C3E91609_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(CCC3=C(C(OC)=O)N=CC=C3)=O,QFOOOSQQOVAXJM-UHFFFAOYSA-N
-32D5F81D6D28CBD7_DAB9D977AD5FE825_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCC3(C2=CC=C(C(C)C)C=C2)CCCC3,WQIYEFRVWQKUST-UHFFFAOYSA-N
-335BA323E9F3CC69_6AB23BD0232A36BB_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)C(=O)N4CCOCC4,DJBWIFQNPQQUPW-UHFFFAOYSA-N
-338997578E5452C4_75D776EB5F74A2C5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(N3CCN(C(OC)=O)CC3)C=CN=C4,CDUOKRRXVLAWOS-UHFFFAOYSA-N
-352D4B34BC2C9838_3B415168BA2DFF44_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C[N]3C=C(C)C=N3)CCC4)Cl,CGJYCSBPHDOBBK-UHFFFAOYSA-N
-361E91B6B6D47216_0C7183BDBE591984_6034_UN,CC4=CC=C(CNC2=C1N(C=NC1=NC(=N2)Cl)CCC#CC3=CN=C(C(OC)=O)C=C3)O4,FBDKISRDPCFWIY-UHFFFAOYSA-N
-38D244AACC85F73A_3556767FC097A35D_6041_UN,COC1=CC2=C(N=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCCC4)F,RRKNLHHEWUELMB-UHFFFAOYSA-N
-39A1C75092096904_19FA5E1F1ACE63C5_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,NDYKENMUPJAJLA-UHFFFAOYSA-N
-40F9B9AFC74EFEF3_7128D8F8C2F30E12_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4C(C[N]3C=C(C)C=N3)CCC4)Br,ZPABVDYGKDCMIS-UHFFFAOYSA-N
-426929A8A1A55659_D40982B1013C3DB8_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,XDMATLFJVKJQJX-UHFFFAOYSA-N
-427C5146E94F821C_2C620A7FC7252762_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@@]2([C@H](C)C2)CC3=CC=CC=C3,DJULTGPQZXGIHR-CXAGYDPISA-N
-473FDD00C2FB7EB5_27D0C14FBCAA4483_6038_UN,CC(C)[C@H](NC(CCCN(C(OC)=O)C)=O)C1=NC=C[NH]1,VYVDNCVVGBFNNI-LBPRGKRZSA-N
-47B0BB9099DFBB54_D65A3C4600F32AC9_6038_UN,CN(C)C2=NN=C(CNC(C[C@@H](C1=CC(=C(C=C1)C)OC)C)=O)[NH]2,HBPNVNDQZGJWRQ-LBPRGKRZSA-N
-4816E60F96EED114_820417F5927EB9BF_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC(CC(C)C)C#C,OTPIEMIHGMLJTR-UHFFFAOYSA-N
-48FCBA786F0D1853_0A857F07FF4EC440_6038_UN,CCC[C@H](NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CC(=O)OC,GZCLSGAWMWRBQW-LBPRGKRZSA-N
-49954E9541C5AB9F_4FE8FFF059D3F2BD_6029_UN,O=C1OCCN1C2CCN(CC2)[S](C3=C(F)C=C(C=C3)C[N]4C=C(C=N4)[S](=O)(=O)Cl)(=O)=O,VGOLQRZNPSCWLG-UHFFFAOYSA-N
-4B1B4CE52849A3A9_42E28030FAE17EE3_6034_UN,ClC3=C(C=NN(C2=NC1=C(C=CC=C1)N2CC(C(C)(C)C)=O)C3=O)N4CCNCC4,JLESDDONCARTSS-UHFFFAOYSA-N
-4D211DA74DCDE4A6_D9DD5395A6644434_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(CC3=CC=CC(=C3)C(OC)=O)=O,ZAQXYQYSNXQMHU-UHFFFAOYSA-N
-4EF521D8F165DAE7_58E9F3E3A9B07B1F_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)F)[S](=O)(=O)Cl,OEUVBKGLJZQKEX-UHFFFAOYSA-N
-4F85336FD155BF21_763C289DBE170A50_6039_UN,O(CCOC(F)(F)F)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,QOPHAWAJCZNKTB-UHFFFAOYSA-N
-4FA69AC2C12AD417_50473E4AE847449F_6038_UN,CCC(NC(C1=C(C=C(OC)C=C1)OCCOC(C)C)=O)C2=NN=N[NH]2,YJWOWFQXVFALRH-UHFFFAOYSA-N
-50E51442D570C290_D99DDDAF80EB6884_6034_UN,CCC1NC(C)(C)C(=O)N(C1=O)CCC#CC2=CN=C(C(OC)=O)C=C2,BARKMYFRHIWSRB-UHFFFAOYSA-N
-50FBB9C0FA8F51F3_68C2CEC55A8A76A6_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N5CC4=C(N=C(N3CCN(C)CC3)N=C4)CC5)Br,PWWPWTRISZVESL-UHFFFAOYSA-N
-5379BB1FB293488D_1B3C2E697199E4DC_6038_UN,CC(NC(C=C(C1=CC=C(OC)C=C1)C)=O)CN(C)CCN2C(CCC2=O)=O,SRXGZCXGDOZMDK-UHFFFAOYSA-N
-53860B6B87D4EBE1_028DCEB3FAEC6965_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NCC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,UMUWJJQEOMGSDZ-UHFFFAOYSA-N
-53D6EEDA30C73C1F_14DE34716A768C45_6038_UN,CCCCC(COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CC#C,CFWLNCQDJSFPHW-UHFFFAOYSA-N
-53F45BF056F6328C_D39ABAE7BF0B7CD5_6038_UN,N(CCCCCN1C(C=CC1=O)=O)C(=O)C2=CN=C(C=C2)N3CCC3,YPEFZUCTWAYKII-UHFFFAOYSA-N
-55AC201CF9A36688_C3A9E40737B3220E_6038_DP,C[N]1C=C(C=N1)C(NC(C4=CC3=C(N2CCNCC2)C=CC=C3S4)=O)C5=C[N](N=C5)C,DJZHMZQXBAVZAC-UHFFFAOYSA-N
-55BE4C5F8F305DEC_99172580FDC1B1F4_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1Cl)Br)C(C2=CC=CC(=C2)C3CC3)C4,MWAPWWVKUSZXMB-UHFFFAOYSA-N
-561E49112C5BFAD9_08FE66F9C79653CC_6029_UN,C1CC(CCN1[S](C3=C(Cl)C=C2CCOC2=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,VZEXLMYWVXDECU-UHFFFAOYSA-N
-56263F0287AF1DF7_51A38B5D6539D2DC_6038_UN,CC[C@H](C)[C@H](NC(C1=C[N](CCOC)N=N1)=O)CN(C)C,XVGDNVMJIQZNPS-NWDGAFQWSA-N
-56B6D4616765B8BF_D684ECE2AF89539E_6038_UN,COCC(NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=NN=N[NH]3,LQSWYVCHCDRCDQ-UHFFFAOYSA-N
-56BFBDAC9AB03D1F_E71F9AFCA0972B8F_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC(=C(C=C3)Br)F,HRVXSERUPOEWMY-SWLSCSKDSA-N
-57780EBC3AD1A1C4_1DC708DB9D9CA33A_6038_UN,CN(C)C1=NN=C(CNC(C(C)C(C)C(C)(C)C)=O)[NH]1,AHQBWTBCDFVUKU-UHFFFAOYSA-N
-57F46D5F484A6AD6_5C52C27F9096EAD0_6038_UN,CC(NC(CCCCC(OC)(C)C)=O)C1=N[NH]C(=C1)C,IQSMKAWNJVAXIW-UHFFFAOYSA-N
-5D0EB65B9F26245F_388429B3DB70ABB9_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,CXIOAUUTEWWKDG-UHFFFAOYSA-N
-5D30E871F57A7094_A7CAD8EF8F0AB151_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(CC3=CN=C(C(OC)=O)C=C3)=O,CWPAJLGJJYKNSG-UHFFFAOYSA-N
-5D89D22AC1D048F2_9EEA8E9833F6F2D4_6041_UN,C2(=C1N=CC=CC1=NC=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,SOJSOGXINDLKKG-UHFFFAOYSA-N
-5D8D29E0E8260ECE_630F29ABF13FBAE3_6029_UN,C1CN(CCN1[S](C3=C2C=NSC2=CC=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,GYZFGYIXUDZWJT-UHFFFAOYSA-N
-605F9314841C97E6_5FDD9779329B6868_6038_UN,CC(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCN(C)C,SLWQSFSOCHKNKE-UHFFFAOYSA-N
-609243F90B47EED4_142FAF5EDDA70B48_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=O)N(C(=C3)C)C4CC4,BTHVPAAYSKZOFQ-UHFFFAOYSA-N
-61A4189A188E09F2_00E70240F3729F33_6038_UN,CN(C)C(=O)CC(NC(C1=C[N](CCCC)N=N1)=O)C2=CC=CC=C2,NOWCOTZAOAQKCQ-UHFFFAOYSA-N
-62B838AB65C91CC1_2BB33E842EF8D903_6041_UN,CC3=C(C)C1=C(N=CN=C1NC(C(C)C)C2=CC(=C(C=C2)F)C#N)[N]3CC4=CC=CC=C4,GVFKKVYSEAAIDB-UHFFFAOYSA-N
-63422ACAD768F668_3A36C4B338E0BA2C_6041_DP,N1CCN(CC1)C(=O)C2=CN=C(N=C2)N[C@H](C)CC3=CC4=C(C=C3)OCCO4,UKPHACMGSVYNAA-CQSZACIVSA-N
-660D2E9D40510ED7_1743FEB9BA5DEB99_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)CC4=C(C(=CC(=C4)Cl)Cl)[N](=O)=O,QTEXFFZYYSPHQL-UHFFFAOYSA-N
-66267304D174EF7E_057C752019FE43D2_6038_UN,CCC(NC(CCCC(CC)(C)C)=O)C1=NC(=C[NH]1)C,AEVSALPYNRKUTH-UHFFFAOYSA-N
-66E6DA418B8A7931_7567B152E62A332C_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,QKWWCRJPOAXBHT-UHFFFAOYSA-N
-69D555BB38DA5037_C7C9EED59E8468C8_6038_UN,CCC2=NN=C(COC(C1=C(C=C(OCCC)C=C1)OC(C)C)=O)[NH]2,CXGQOSFNFMRVGU-UHFFFAOYSA-N
-69F89A2C47CA3E88_225980AACBD2FB0A_6036_UN,CC(C1=CN=C(C=C1)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,LFEAGCFEZPOXJM-UHFFFAOYSA-N
-6BFAF081E69E7623_1F87734EA859FF49_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC3C2=C(C=C(OC)C=C2)OCC3,OMPSYFVQSDKJPZ-UHFFFAOYSA-N
-6C81CB11F008BF8C_D029C2A2FE78AD4D_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=NC=C(C=C2)C3CC3)(=O)=O,CZUKSTHPAUFDAN-UHFFFAOYSA-N
-6CB6E272105BEC7F_032F6E45C4FFEBCB_6038_UN,N(CCCCCCN1C(C=CC1=O)=O)C(=O)C2=CN=C(C=C2)N3CCC3,RFMRYJCUUAMNTC-UHFFFAOYSA-N
-6DEAE9AD06D01E98_CB0C3835F333A1F9_6038_UN,CCOC(=O)[C@@H](NC(CCC[Si](C)(C)C)=O)CC1=C[NH]C=N1,SYANGLULSXRHSK-ZDUSSCGKSA-N
-6E08DBA0C7BD80EF_0FDDC83FB4D14EC8_6034_DP,CC4=CC=C(CNC2=C1[N](C=NC1=NC(=N2)Cl)CC3(CC(OC)(C3)OC)CN)O4,GXVXTQDAPSCABM-UHFFFAOYSA-N
-6E6782DB80298981_2CAD3196817B752F_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(=CC3=NOC(=C3)C)CC4)Cl,RMOJHYMKMHYKLW-UHFFFAOYSA-N
-7022A916BEFDD87B_697A23AD2A5FFF77_6038_UN,N(C1=CC2=C(C=C1)OCCC2=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,LADBYHLZOJTOLZ-UHFFFAOYSA-N
-7112DB3B28A61FF4_A3720DE0BE0A3592_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@H](CC2)C3=CC=CC=C3,GPRZJNDVWMXEBA-HZPDHXFCSA-N
-7179079192BFA42C_2878584B3848D57B_6038_UN,CC(C)(COC(C=C[P](OCC)(=O)CC)=O)C1=N[NH]C=C1,UXULWFYLENPVML-UHFFFAOYSA-N
-71DE89803AD3EDE0_B9E9B53BFBB2AB79_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5CCN([S](C4=C[N](C)N=C4)(=O)=O)CC5,KHCTUJTXJVBRJB-UHFFFAOYSA-N
-7336CD402B0A08A2_DCB46F41BA8BF818_6029_UN,C1CN(CCN1[S](C2=CC(=C(C(=C2)Cl)C)C(OC)=O)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,IDHLVEOAMHFBKF-UHFFFAOYSA-N
-741455150AED299B_159890FFBECB5211_6038_UN,CC(COC(C[N]1N=C(C(OC)=O)C=C1)=O)CN(C)C,VTPMWDSCRNRTIC-UHFFFAOYSA-N
-746A4604EB6DFE37_861479A618A0DE83_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(F)C=CC=C3)CCC4,CMFXDIMNELBHGT-UHFFFAOYSA-N
-75CF382ADECD4FF0_BD89192B70F28D59_6041_UN,CC1=NC2=C(C(=C1)C(=O)O)C(=CC=C2)NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,VKDWNYGIJDQNAC-UHFFFAOYSA-N
-78291CC6173426D7_7360901C59683653_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CCCC#C,YUFWKFKPMHZGGU-UHFFFAOYSA-N
-78E3EDD55855E53B_BF5EAB4E3B9AFF8E_6041_DP,CN(C1CCNCC1)C(=O)C2=CN=C(N=C2)NC3=CC=C(C=C3)N4C(C=CC4=O)=O,ZJXHJSGHWDNHFS-UHFFFAOYSA-N
-79553E68C46A0DB5_E754B673014B3E23_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CCCN3C(CN(C)C3=O)=O)=O,ZGSMTUWHKPBSTO-UHFFFAOYSA-N
-79DF78D93F5126AA_79B0A96A061DF55B_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(C=C(C(N3CCC(C)CC3)=O)C=C4)C,IIDAJZFRDKEZJK-UHFFFAOYSA-N
-7B97B8E6C669203F_D4CE82BB8D8F6E3F_6038_UN,CC(NC(C1=C(C=C(OC)C=C1)OCCOC(C)C)=O)CC2=NN=N[NH]2,JBEPTNKYQHFXPT-UHFFFAOYSA-N
-7D45FB27B4C895C5_3E12EC8A1C669C7F_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4)Br,VNJLHOFKJYHACJ-UHFFFAOYSA-N
-7DB27D9F8BBDCC8F_54062EDBFDC4E51D_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,LJCHUBLNMRWUQZ-UHFFFAOYSA-N
-80B4D695C20D8FA0_34B6B03A805E86E4_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C)C=NC(=N3)C4=N[N](C=C4)C)=O,QQZYJDIRGDKXSV-HNNXBMFYSA-N
-82EAE8BB18E72D5F_FAAC47C7A076D23C_6041_UN,CC1=C(C=C(C=C1)NCCC(N3CCN(C2=CC=CC(=C2)C)CC3)=O)N=C=O,UPZZFDWGXUCHPD-UHFFFAOYSA-N
-84FDF8086E2963E5_26FC0E49D3BE7AC0_6038_UN,CCCC(NC(C2=NN(C1=CC(=C(C=C1)C)C(OC)=O)C(CC2)=O)=O)C3=NN=N[NH]3,CQNIHECIHJPZPG-UHFFFAOYSA-N
-853FCB9B57D82724_5423245454AE8513_6005_UN,F[S](=O)(=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)C3CC3)Cl)Cl,GLMKFLDCKRDLJM-UHFFFAOYSA-N
-85BC29B423634DB9_13E5CE4544E9BE92_6038_UN,CC(C)C(NC(C2=C(N1CCN(C)CC1)C=CC=C2)=O)C3=N[NH]N=N3,WCKVILYGEHOXKG-UHFFFAOYSA-N
-863A523AC3831C3C_A33B948CF7F69876_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=CC(=N3)OC)CC4)Cl,IRDGVIIOOPAICE-UHFFFAOYSA-N
-86931AB7C57A1733_64D7C08B878B2BE0_6029_UN,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,ZNNLUOQGCDYBDM-UHFFFAOYSA-N
-86EACCFAAB8DC7C1_6077D158B71F00CB_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CCCN3C(CN(C)C3=O)=O)=O,XFVUTNZQAROVHI-UHFFFAOYSA-N
-88D58999F88E4EA6_7983ADDB36AE338F_6038_UN,CC(CNC(C1=C(C=C(OC)C=C1)OCCOC(C)C)=O)C2=NN=N[NH]2,QMDQKHGXVXMBGL-UHFFFAOYSA-N
-890BFA29F0A72C3C_03CF3C93B3E4ACFD_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2)Cl)[S](=O)(=O)Cl,RNHWFIOOUYZECS-UHFFFAOYSA-N
-89C98E72D3E1E1B5_381158CCDF56BF2A_6029_UN,OC1(CCN(CC1)[S](C2=CC3=C(C=C2)OCCO3)(=O)=O)C4=C5C(=CC=C4)C=NC=C5,HUFOPOMAILYCSK-UHFFFAOYSA-N
-8A49B351601B333C_F741677E38A635F8_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=CC=CC=C4)(=O)=O,LLHHUHCLPNTINL-UHFFFAOYSA-N
-8A53367F24FF4A5E_F5F32BC8EBC9DF93_6029_UN,N(CC1(CC1)C#N)[S](C2=C(N=CC=C2)C3=NC=CC=C3)(=O)=O,KTNZRYGTXQVILX-UHFFFAOYSA-N
-8A552333038C92E4_9D1173E8AA635C9D_6041_DP,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4=CC(=C(N3CCNCC3)C=C4)F,HSCZWLZGKIAIAV-UHFFFAOYSA-N
-8A64DEC931BFE757_FEAAF5777D39A7A9_6029_UN,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C3=NC(=CC=C3)C4CC4)(=O)=O,LKOLINKQEJCAFD-UHFFFAOYSA-N
-906FE91757AD7CAE_AE554DD998F3910F_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C(C3=CC=C(C)C=C3)=O)=O,HPBVWYZZWVIYPD-UHFFFAOYSA-N
-9124E6C2217CD713_A0E3D6591CED24AC_6005_UN,F[S](=O)(=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)C3CC3)F)Cl,FJUKCUOHNVWYCJ-UHFFFAOYSA-N
-918DA61A937F8A09_107FB83F3C1FE5E2_6031_UN,CC(C)CCC(N)C(=O)OCC[N]1C=NC(=N1)[N](=O)=O,AVBHXRRTFMIKAU-UHFFFAOYSA-N
-918DA61A937F8A09_8269DF132A4CDF9B_6031_DP,CC(C)CCC(N)C(=O)OCC[N]1C=NC(=N1)[N](=O)=O,AVBHXRRTFMIKAU-UHFFFAOYSA-N
-923B99DD776F5B13_C70C6E1C3BB7EFAE_6038_UN,CC(C)C3=NN=C(COC(CC1OB(O)C2=C1C=CC=C2)=O)S3,USQLIGDTIDTTAG-UHFFFAOYSA-N
-92443B760EEB63A9_A32578B6159C7930_6038_UN,CC(OC(C2=NN(C1=CC(=C(C=C1)C)C(OC)=O)C(CC2)=O)=O)C3=NN=N[N]3C,UVHSPKVEMQHHLP-UHFFFAOYSA-N
-927922B1DDBFED12_EBBC5E3972A2FF63_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CCCC3=CN=CC=C3,MKDHGVLGVAUVMV-UHFFFAOYSA-N
-934FECF40412AAC1_57B6AD3821BEC07A_6038_UN,CC(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CCCC#C,OEUQCPMCPJWOOG-UHFFFAOYSA-N
-93581CC4C0FA658C_CED23D28FC5F2EFB_6041_UN,CC1=NC2=C(C=C1)C(=CC=N2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,YVYIEEKZFNLUJS-UHFFFAOYSA-N
-93FE052571BB361A_AACD97C2A38A9AE7_6029_UN,C1CC(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,IJYSRZYRVAOMIG-UHFFFAOYSA-N
-961AD9E7026E6CA5_E71F7B31F03F630F_6038_UN,N(C2=C1C=CC=CC1=NC=C2C#N)C(C4=CC=C(N3N=C(C)CC3)C=C4)=O,UPVNNULSDGZDBK-UHFFFAOYSA-N
-965E95188E05D04B_461B34C0C06331F4_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C4=CC=N[N]4C)N,RAVINCTZJUSZQG-UHFFFAOYSA-N
-98A6EB53B839A278_1C93548E8839D85E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)C(=O)N4CCCCC4,OIOBQQQQHFRRDT-UHFFFAOYSA-N
-9938F2B1BE61046A_043E36A474AA2CB8_6038_UN,CC(C)C(NC(CN(C)CCC1=CC=CC=C1)=O)C2=N[NH]N=N2,KZTDXMGNNMUOOR-UHFFFAOYSA-N
-9A7A237A85E36C12_D8505722EC39C4B7_6038_UN,CC(C)C(NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=N[NH]N=N3,UURHNOGIVCFSHA-UHFFFAOYSA-N
-9B06550826EADDE8_0841776FE2390697_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C(C)C=C3)(=O)=O,KVCSDXGAJNNQEV-UHFFFAOYSA-N
-9B06550826EADDE8_4AAE188308E2E659_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC=C(C)C=C3)(=O)=O,KVCSDXGAJNNQEV-UHFFFAOYSA-N
-9CC107C3C3B678D8_54D5A63B4534EF35_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CCC(C(C)=O)(C)C)=O,HRCTZULPRLLAHK-UHFFFAOYSA-N
-A4470C6257225AE8_294BFE51315B72E6_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C4=C[N](C)N=C4)N,LYVZQZPYAANZMP-UHFFFAOYSA-N
-A5465A5F68AB6B75_AF2685205D81F005_6029_UN,C1CC(CCN1[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,SLUONLXLTGAPCJ-UHFFFAOYSA-N
-A812B507F6850082_60CA234C7AD61B1E_6029_UN,OC1(CCN(CC1)[S](C2=CC3=C(C=C2)OCCC3)(=O)=O)C4=CC=CC=C4,DTBTYIYWKMLSQE-UHFFFAOYSA-N
-A896740DC2A1CD8B_40E9B14251DE02ED_6038_UN,CC(CNC(C1=C(C=C(OC)C=C1)OCCC(C)C)=O)C2=NN=N[NH]2,PESADBQDEISEOZ-UHFFFAOYSA-N
-A909335F313E0D1B_CEACA7B9EF12640D_6029_UN,C1CN(CCN1[S](C2=C[N](N=C2)C3=NC=CS3)(=O)=O)C5=C4C=CSC4=NC=N5,UTGFIXAYVGOFMQ-UHFFFAOYSA-N
-A9AAFF5BAE6FF834_AEF949BDB7D2BDC8_6029_UN,C1CN(CCN1[S](C3=C(F)C=C2C(COC2=C3)=O)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,ZNYKODQYXXDKHF-UHFFFAOYSA-N
-AB3AE77C4FB71C64_2AA012B3AF43BE0B_6029_UN,N#CC1=CC(=CC=C1)C2=CC=N[N]2[S](C3=C(N=CC=C3)OC4CCC4)(=O)=O,DBLCTJHMXDXTGB-UHFFFAOYSA-N
-ADB73C798C679D92_57FE1EB3E324A2E1_6029_UN,C1CN(CCN1[S](C2=CC(=CN=C2)N=C=O)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,RWECVYDMCXXPEW-UHFFFAOYSA-N
-AF8FE957312DDD49_92BA883312F0C09E_6038_UN,CC(OC(C2=NN(C1=CC(=C(C=C1)C)C(OC)=O)C(CC2)=O)=O)CC3=C[N](C)N=N3,KMUSOKQYHZYFMN-UHFFFAOYSA-N
-B03F3986B37918AF_15B30146CB3F0256_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,JMIKBXHYUZPWHG-UHFFFAOYSA-N
-B21D67A538BAF135_1C8B0FFA983562B3_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C4=CN=C(C3=C(OC)C=CC=C3)N=C4)=O,WKHYGLFGBARYFQ-UHFFFAOYSA-N
-B2400CA72945DD88_144790AE0ABB5A6F_6029_UN,N(CC1=CC(=CC=C1)C#N)[S](C2=NC=C(C=C2)C3CC3)(=O)=O,GZWILTCXGJQQLR-UHFFFAOYSA-N
-B24F714A27965B11_D3A7816422424659_6038_UN,CC(C)C2=CN=C(COC(CCCN1C(CN(C)C1=O)=O)=O)S2,YJYLWEMGSNSCAP-UHFFFAOYSA-N
-B34155C0D295820E_FCFD688082837447_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4(C3=C(C)C=CC=C3)CC4)=O,WFHVJXAHEGNVNV-UHFFFAOYSA-N
-B3722C0C769B5E16_D837C7535ADA634B_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,MSMLTQRMIDYERN-UHFFFAOYSA-N
-B58EFAD08F45F37A_BAAEB11D3C94C44C_6038_UN,N(C1=CC(=CC=C1)N2CCOC2=O)C(C3=NC=C(C(OC)=O)C=C3)=O,XDYASOWBJUZAKC-UHFFFAOYSA-N
-B85359DA8BA79F94_12AF26DFD29577E7_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC4=C(N=C3)SC=N4)(=O)=O,XYGSKULMHXDIPR-UHFFFAOYSA-N
-B936F0EEF4C8FCD2_2B9207E7AC49138A_6029_UN,C1CN(CCN1[S](C3=C2[NH]C=NC2=CN=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,XTDMXXZOFOYAKP-UHFFFAOYSA-N
-BADF5AA4A55EF714_F0BBBB27941AEB10_6029_UN,O=C1N(CCO1)C2=C3C(=CC=C2)CN(CC3)[S](C4=CC(=C(C=C4)C#C)C)(=O)=O,GDFGJGWSQYHRAM-UHFFFAOYSA-N
-BB726B3C8AB78806_E6055139053D03F2_6029_UN,C1CN(CCN1[S](C2=C[N](N=C2)C3=NC=CN=C3)(=O)=O)C4=NSC5=C4C=CC=C5,PIVYGUVTKSQMHX-UHFFFAOYSA-N
-BB826D5F2832CC30_2F25DBAF6EB82EB1_6038_UN,CC(C)C2=NN=C(COC(CCCOC1=CC(=C(C)C=C1)C)=O)[NH]2,YYFABONPANEXNE-UHFFFAOYSA-N
-BC71AEC54E07D858_3363E3AA737CEA87_6038_UN,CCC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CCC#C,CGEGSSANFRKZHS-UHFFFAOYSA-N
-BD35A266E52F3E69_507699A362955E91_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)Br,HWQDZZHZFMDXIL-DZGCQCFKSA-N
-C18E01A693878F0A_AC7EA4033A745914_6038_UN,COCC(NC(C1=C(C=C(OC)C=C1)OCCC(C)C)=O)C2=NN=N[NH]2,ZFZZRCNBYLVIQE-UHFFFAOYSA-N
-C410ED7298C83518_3CA65A159B43B6E1_6029_UN,C1CN(CCN1[S](C3=C[N]2C=CN=C2N=C3)(=O)=O)C4=NSC5=C4C=CC=C5,VCBLDNXQFMXUKJ-UHFFFAOYSA-N
-C465680A4E20E377_78FD2E0C0F6A4BE7_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC4=C(N(C)C)N=CC=C4,SNWLYKFVGSOSJW-UHFFFAOYSA-N
-C72535A313337FE2_98BF01A88B635212_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=C(C=C(C=C2)C3CC3)F)Br,OEFNAISWEVADOD-UHFFFAOYSA-N
-C9049CA887EC4C40_E9CD095B2853099E_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C5CC4(CCN4)C5,MXFCYFNHMHJBQW-UHFFFAOYSA-N
-CD0B7429AB2121DF_829995295E70D70C_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC(=CC=C3)Br,APGYOPNJILASGQ-LSDHHAIUSA-N
-CDF14C3CCF24924B_1CE80CD3E4AFAA4F_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(CC(C)C)C(=O)OCC=C,QAGLIPVYNMZNEN-UHFFFAOYSA-N
-CF433B2368354BB9_15164CF9DCDACCFD_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,BEFKMQZYPFCBNE-UHFFFAOYSA-N
-D2931776557BB2F6_D404C9B65971B673_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=CC=C(CCC(C)C)C=C3,FFSOMARXQBKSRI-UHFFFAOYSA-N
-D80BA98483D1B3F6_80B3F6A7C87358DF_7019_UN,CC[N]1C4=C(N=C1C=CC2=C(O)C=C(C=C2)N3CCCC3)C=CC=C4,RVEGXAJVKBHCAR-UHFFFAOYSA-N
-D8520420235BE7AD_7436EBFDDDAA8F7E_6038_UN,CCC2=CN=C(COC(CCCN1C(CN(C)C1=O)=O)=O)S2,NODDKRZFFFMCBN-UHFFFAOYSA-N
-D86AE0B6E3CCC864_0B91FA80C2688CB6_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=CC(=CC=C3)Cl,DOGWIDLIBBLFGJ-MQMHXKEQSA-N
-D8993E54DFF35E36_1758EEA0AD998B4C_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC(C)C2=CC3=C(C=C2)OCCC3,RJEWZUPPPDFVIP-UHFFFAOYSA-N
-DA9D4B6C46C6B0F4_A1D59F1703C68A43_6038_UN,CC(C)C(NC(CCCCOC1=C(C=CC(=C1)C)C)=O)C2=N[NH]N=N2,NVCHZFASJMIXFP-UHFFFAOYSA-N
-DD39C82FF8CB00B7_80E9A445073375C2_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCC(COC)(C)N,ICASREJAJNVZJK-UHFFFAOYSA-N
-DD7846F673E97BCA_EED4E21A95DBEDF2_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCCCN3C(OCC3)=O,VSOGOYYEZIWLTR-UHFFFAOYSA-N
-DD7CBC316330C5F7_475F3B6695A8027A_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C(=CC=C3)Cl)Cl,RJNSFMAOXQSJOQ-GXTWGEPZSA-N
-DD8A51B69AE7FF48_C2ECFF125A5D0B50_6041_UN,OC(=O)C4=CC1=C(N=CN=C1NC(CCN3CCN(C2=CC=CC(=C2)C)CC3)(C)C)[NH]4,MWEONPGQYSRQAJ-UHFFFAOYSA-N
-DEE58F29EE812AAB_3DDAE8A8D11388E4_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2)F)[S](=O)(=O)F,RSVAYHMJDLOBKM-UHFFFAOYSA-N
-DF971A051CF227A8_EBD8EE29F6E5A8B1_6038_UN,CC(NC(CC(CCOC)(C)C)=O)CC1=C[N](N=C1)C,FJRBNBICFHDMQH-UHFFFAOYSA-N
-E0362A4DB5F2BE50_06427EE91B678DF2_6038_UN,O(C1=C(C=CC=C1F)CC=C)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NKDWCLASFCKKQF-UHFFFAOYSA-N
-E0C41FA9EB9603D0_923356137F0951A3_6038_UN,C[N]3C=C(NC(=O)C1=N[NH]C(=C1)C2=CC=NC=C2)C(=N3)C(=O)N4CCOCC4,BWAFLEYDCIMTFR-UHFFFAOYSA-N
-E0F5B1B8FBBE5CB8_A87E127D6083ADF6_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C(CC3=CC=C(C)C=C3)=O)=O,UFHXOTQJJLZVMQ-UHFFFAOYSA-N
-E20988D3CBF51ABA_50D984C61D286E0F_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(OC)=O)[S](=O)(=O)Cl)(=O)=O)C3=NC=CC=N3,XFABILNGPPYBIX-UHFFFAOYSA-N
-E38AACCBA536AD51_BBF2A59C317FDE0D_6035_UN,CCOC(=O)CC(OC1=C(C(OC)=O)N=C(C=C1)Br)C=C,HLMQBIIAOINKQQ-UHFFFAOYSA-N
-E597CC480DA52AD0_39239709361F9F39_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4CCN(CC3=C(C=C(OC)C=C3)OC)C4=O,DWUJGKJRHFLIHW-UHFFFAOYSA-N
-E5D803916FD7AC6B_49D22C5084BFD403_6041_DP,N1CCN(CC1)C(=O)C2=CN=C(N=C2)NC(C)C3=CC4=C(C=C3)OCCO4,IXRYTWPDRXWISX-UHFFFAOYSA-N
-E653FF62A2D232A1_BE2C900C05E9C22F_6029_UN,CCC4=CC=C(CN1CCN(CC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)S4,QRHSKKYDDUAJEQ-UHFFFAOYSA-N
-E6F81F69EF47E5AC_FA0509A10F5E1585_6029_UN,N(CC1=CC(=CN=C1)C#N)[S](C2=CN=C(C=C2)C3CC3)(=O)=O,KAYFDPOGGSGIHQ-UHFFFAOYSA-N
-E76FCBB1B6E85FC7_00CE8736E48F5B35_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=C(C)N=C(N=C3)C4CC4)=O,OAJMPYLHDALMNW-UHFFFAOYSA-N
-ED1F6F8CE518906C_759E7D38E4E2C662_6038_DP,C[N]1C=C(C=N1)C(NC(C#CC2CNC2)=O)C3=C[N](N=C3)C,WTUFHCBERUBHFE-UHFFFAOYSA-N
-ED371D74F1F10339_30C7AA29A192010B_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4)Br,GLNQHYWSIGYYLI-UHFFFAOYSA-N
-ED54A79264469595_148241A9A38A4D0B_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC=C(C=C3)Br,CGGUXICUUVCOEK-LSDHHAIUSA-N
-EDC0F2FACD2A6005_3ABCA9ED5449FCDB_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CCN(C2=NC=CC(=C2)C)CC3,GSRBRAADVDZBMQ-UHFFFAOYSA-N
-EDC8CF53770C9010_267988F5499C8EB2_6038_UN,CC(C)C1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,ALHYQVYAQPMNPH-UHFFFAOYSA-N
-EF0907AD705D2E35_BFDA1708EC378179_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)C(=O)N4CCOCC4,OSYJJGGELFHOMG-UHFFFAOYSA-N
-F0593F3405677FC3_1AA175EB01096E57_6038_UN,CC(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCCCN(C)C,TVXBRVVXCKSHDO-UHFFFAOYSA-N
-F0C8151B915108B3_C4377EB657155DAB_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC4=CC=C(N3CCN(C)CC3)C=C4,JZNZEAARLCYPIT-UHFFFAOYSA-N
-F165AF00A84782BA_BAF014814DEB84E0_6041_UN,COC(=O)C4=CC1=C(N=CN=C1NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F)[NH]4,WWHSTMOHMAWYHR-UHFFFAOYSA-N
-F175D50BE44E7973_B918DCA87B74385B_6029_UN,C1CN(CCN1[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O)C5=C4C=CSC4=NC=N5,BHUMSLKRIHRZFN-UHFFFAOYSA-N
-F2496F99F356D85A_AD905770C6ACF7FE_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3CCC(C(C)C)CC3)Cl,WBACBIOFVSERFK-UHFFFAOYSA-N
-F30BF591EF7D5CE9_5A6BC160E739F620_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC=C2Cl)[S](=O)(=O)Cl,XVBPUUVCGUNWKW-UHFFFAOYSA-N
-F34594EDB1E328B2_367336A29D98894A_6038_UN,CC(C)C2=NC(=C(COC(C(C)(C)CN1C(=O)C=CC1=O)=O)O2)C,XRTMURFQDMBBDM-UHFFFAOYSA-N
-F3B717CBFAB7394C_3D1CA0A62BED4187_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CCC#C,VATHMYKOPRKGCN-UHFFFAOYSA-N
-F4CC35A784B80C39_8025C9469C62A62C_6038_UN,CC(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCCN(C)C,LSTZUNFFVITPDH-UHFFFAOYSA-N
-F5C30E458AB8E862_AA605E5230991D02_6026_UN,ClC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N4CC(N3CC(F)C3)C4,HMJWIROAEYSGFR-UHFFFAOYSA-N
-F5D58C8FB0E2DDC3_46DA33D9D34A4EA7_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(=O)C4CCN(C4)C(=O)C5=NN=N[NH]5,GXVOLPISSYRHCA-UHFFFAOYSA-N
-F76D4EDBBDE9923C_43A86B4A5BBCBB3E_6031_DP,CC(C)C(F)(CN)C(=O)OCC[N]1C=NC(=N1)[N](=O)=O,SRCKSFJBEXTYAB-UHFFFAOYSA-N
-F76D4EDBBDE9923C_7041A218DAB94164_6031_UN,CC(C)C(F)(CN)C(=O)OCC[N]1C=NC(=N1)[N](=O)=O,SRCKSFJBEXTYAB-UHFFFAOYSA-N
-F9ED7CC32B19B172_888D2A0F56F8FB03_6029_UN,OC1(CN(C1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O)C#C,HPQKTKJUINNIFN-UHFFFAOYSA-N
-FAD8B05CC7183B3F_CA1232BB8CA105A6_6041_UN,COC(=O)C1=N[NH]C=C1NC3=C(C(N2CCC(C)CC2)=O)C=CC=C3,ZRWSDXHQOAEEJH-UHFFFAOYSA-N
-FB855AEAD0A6AA90_91B95279E9747775_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC(=NO3)C4=CN=CC=C4,PZCJRIHVXPDOMP-UHFFFAOYSA-N
-FBCB3BDE7138F015_8D9F4ABDBB3DE825_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2O)C(C)(C)C)I)(=O)=O)C3=NC=CC=N3,PAEYYJFANPFHIL-UHFFFAOYSA-N
-FDDE2629E1D8F772_6D170ECB55EF0218_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4)Br,LDWZJYYWDDUCKL-UHFFFAOYSA-N
-FEC94AB9AF0128A9_07A9763B9F68DA60_6036_UN,C(C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)N([S](C)(=O)=O)CC#C,QGCDQJVGNMIFLI-UHFFFAOYSA-N
-rxn:2:113632:155159,CN1CCN(c2cc(NC(CC3=NCCO3)c3ccc(S(C)(=O)=O)cc3)nc(C3CC3)n2)CC1,BMNCORLDRUQAAJ-UHFFFAOYSA-N
-rxn:2:115458:148296,CS(=O)(=O)c1ccc(C2CCC(NC3CCC(c4ccc5c(c4)OCO5)CC3)CC2)cc1,KQXCIDKCMTUOGM-UHFFFAOYSA-N
-rxn:2:116102:168895,Cc1[nH]c(C2CCC(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)CC2)nc1C1CCCC1,QMFWDQQIQDJNRN-UHFFFAOYSA-N
-rxn:2:123615:162580,CCC(Nc1ccc(N2CCN(CC)CC2)cc1OC)c1ccc(N2CCS(=O)(=O)CC2)nc1,HTTNKIZMYZZFTP-UHFFFAOYSA-N
-rxn:2:131116:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC2CC(C3CC3)C2)cc1,LWWXJXQGUMWUMJ-UHFFFAOYSA-N
-rxn:2:133036:149518,CC(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,PHTPOLWULNFXAU-UHFFFAOYSA-N
-rxn:2:134127:166005,CS(=O)(=O)c1cccc(N2CCC(N[C@@H](c3ccc(N4CCCC4)cc3)C3CC3)CC2)c1,CDAJNPZKLVXPIA-AREMUKBSSA-N
-rxn:2:139988:105068,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CCC2)CC1,LHAMIBHUZUURJK-UHFFFAOYSA-N
-rxn:2:139988:140582,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CCC2)CC1,GWOYAEKWBSPZPV-UHFFFAOYSA-N
-rxn:2:139988:85111,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCCN(C2CC2)C1,JQHCZFLNDRXFOM-UHFFFAOYSA-N
-rxn:2:70629:117066,CC(Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2)c1ccc(OS(=O)(=O)[O-])cc1,DPNWQDSQFOZNPP-UHFFFAOYSA-M
-rxn:2:72350:119453,CC(F)(F)c1cc(CNC2CCN(c3cc(C4CCOCC4)ncn3)CC2)cc(S(C)(=O)=O)c1,ZGEHHJSEAXKTOD-UHFFFAOYSA-N
-rxn:2:74047:155627,CC(NCC1CCN(C2CCCCC2)CC1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,HKBVYKQPYOEHTI-UHFFFAOYSA-N
-rxn:2:77257:111082,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCCN(C2CC2)C1,BMKLYWGKZUTHTL-UHFFFAOYSA-N
-rxn:2:77257:92053,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(C2CC2)C1,AVHVNCWXSBMFJC-UHFFFAOYSA-N
-rxn:2:77257:96642,CCCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(C2CC2)CC1,MGNJRMKKEKTOGM-UHFFFAOYSA-N
-rxn:2:86365:149518,CC(Nc1cccc(N2CCN(C3CC3)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)cc1,VGBMECIKXHUTOB-UHFFFAOYSA-N
-rxn:2:94537:153335,CCS(=O)(=O)c1ccc(C(Nc2cc(C3CCCCC3)ccc2N2CCCC2)C2CCCC2)cc1,OSKNWXCATZJYGA-UHFFFAOYSA-N
-00B28D70F8C91433_62246EA1E3997F1C_6038_UN,CC(OC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)C3=NN=N[N]3C,IGVLIIBIYIZWIY-UHFFFAOYSA-N
-00B3FA8CE790B39F_89F962AAC4F5C983_6009_UN,C1(=CCCCNC1=O)C(C2=C(COC)C=CC=C2)C(C)CO,QNCLHRYZGKTRIT-UHFFFAOYSA-N
-01B5527A188F1A41_582E1BFFAF20F6CF_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC4=CC3=C(CC(OC)C3)C=C4,DRAXRZOWECGZLB-UHFFFAOYSA-N
-0202004CA6AD554F_A1B5E9D7BB02AEF2_6038_UN,CC1OC(C(C1)NC(C2=N[NH]C(=C2)C3=CC=C(C)S3)=O)C,VQMMUDCDPZFNRL-UHFFFAOYSA-N
-039A600006EA5138_0EAF32D2CD257D00_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(SCC3)C=CC=C4,DAKFOTBRIOKGEV-UHFFFAOYSA-N
-045E4600579684A6_6638FC36D3E547FC_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C([C@@H]4[C@H](N(C)C(CC4)=O)C5=CC=N[N]5C)=O,VELSDFBSJVUZDO-KKSFZXQISA-N
-05353AA7DC741874_B49A3EEC8B702A80_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N(C3=CC=C(C)C=C3)C4CCC4,ORKYZJLICJTXIT-UHFFFAOYSA-N
-0624B42AA1430BD1_22196779F999FB01_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,HXKPIGBEAIBRRY-UHFFFAOYSA-N
-0677EA34B9067108_7C8317A69A2276C3_7022_UN,CN1CCC2=C1C=CC(=C2)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,LNRPKUWRISXQAN-UHFFFAOYSA-N
-06AB326D2C7858AB_432FE955FE0AF4D3_6041_UN,COC(=O)C4=CC1=C(N=CN=C1NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3)[NH]4,NTAXJONBKWBPCO-UHFFFAOYSA-N
-0962FF0BB68A4C2B_D9DCD3AD38516E18_6038_UN,COCC(NC(CCC1=CC(=CC(=C1)C)C)=O)C2=NN=N[NH]2,JBFDBDRNTVHVNC-UHFFFAOYSA-N
-0A1AE29F9572A8D4_A64E9517D083BE6F_6041_UN,CC(=O)C1=CN=C([N]1C)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,USUXNQATEOMCSR-CYBMUJFWSA-N
-0C0EF445EF976DE1_0040D6A525F7B7CB_6041_UN,CC4CCC1=C(C=C(C=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)C(=O)C4,ACRWRMXLQFCLAZ-YNNZGITBSA-N
-0C5C2EDA55D02364_E711C6924AFDB70F_6029_UN,CC1CN(CCN1[S](C3=C2CCCC2=C(Cl)C=C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,LIDFUYYZERUUAI-UHFFFAOYSA-N
-0CB1E0FCA11D70F3_5ED76E73F8930311_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4)Br,RTOFMUXXDAWNDD-UHFFFAOYSA-N
-0F4E0D32EA7709BE_4FBF5261BD14D19B_6038_UN,N(CCC1=C[NH]N=N1)C(C2=CC(=C(C(=C2)F)C#N)OC)=O,KEZYZROJOUEPIK-UHFFFAOYSA-N
-0FAE007A5E390DDA_FDA92BCA42E1BE02_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N5C4=C(C=C(N3C(CC)CCCC3)C=C4)CCC5)I,VBCLTAKIBKJBJX-UHFFFAOYSA-N
-109542BD19C4ACE4_70369B8BD365A078_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Cl)F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,LWCRENNGRKIOEP-WMLDXEAASA-N
-1247E28A1F3CD872_63B0FDE5BAF8D874_6038_UN,CN(C)[C@@H]3CC[C@H](NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)C3,ZUUFOJJYNYRVRK-LSDHHAIUSA-N
-130DD5C4F1635538_FF3E6B71D651B93B_6041_UN,CN(C)C1=C(N=CC=N1)NC2C3=C(OC2)C=CC(=C3)F,YBBRRBGXMFZGPT-UHFFFAOYSA-N
-153EE72C62A22726_B4949CADDB3FFA3C_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OC3)C=C(C=C4F)F,GRWASQIRTZYWMY-UHFFFAOYSA-N
-15B9853D8B574996_4CDEADE5F34CEFFF_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2CCCN(C2=O)C3=C(C=C(C=C3)F)F)C=CC=C4,NKCMWPIAEFHMCJ-UHFFFAOYSA-N
-15BA444717B679EC_BD5B2C375D6B3BA3_7017_UN,CC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=C(N)C=N3)Cl)CC4,XIHNTUHPXBQSJH-UHFFFAOYSA-N
-16150D3614754B4D_C7CD968D98CB6669_6041_UN,FC1=C(C(=CC=C1)C2CC2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,ATCACFVYCSICRH-UHFFFAOYSA-N
-161D94CAD057CF21_A057E92C84AC2FE6_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(C=C(C)C=C3C)C,UBQVMBMJKJCKTI-UHFFFAOYSA-N
-16C7BFD65A3E12DC_F803C6701DDC4ABF_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NCC3CC4=C(OC3)C=CC=C4,OFEDRVVJXMUWSE-UHFFFAOYSA-N
-198400BC82FDFB5A_7734981F54EEFDF3_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=CC(=C3C)OC,TWDRIDXVMDNFIR-UHFFFAOYSA-N
-1AF0017277C23234_85991FF44950FDD5_6029_DP,OC1(CCN(CCC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,HBZHTRULDDTZNC-UHFFFAOYSA-N
-1B2A6E689A091F8A_6339E641D3E6083A_7017_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=C2N)C)C)CC3)Cl,JQMFREGYHQZVOJ-UHFFFAOYSA-N
-1B797AD0396E1536_0E2D1AA49FFA3802_6029_UN,C1CCC4=C(N(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C=CC=C4,DAYOFTZMMFVVLF-UHFFFAOYSA-N
-1BC06E9477DEA10C_B452240E3B30A48D_6038_UN,CC(C)CC(NC(C1=CC=C(N(C)C)C=C1)=O)C2=NN=N[NH]2,MVNWTMFRNASGDA-UHFFFAOYSA-N
-1BE94B3B57735280_A6FCD6E8838734CE_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCCC4=CC=CC(=C4)C(N(C)C)=O,VLQGJSSHDXEEGL-UHFFFAOYSA-N
-1C08F029A53473D5_F473B10BC627B793_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(OC)C=C(C=C2)F)C=C3,MRNVREOTSBPGII-UHFFFAOYSA-N
-1C0908590B13FED9_6354E879A7940F27_7022_DP,OC1=CC=C(C=C1)OC3CC(C2=CC(=C(OC)C=C2)F)C3,YDXVUGBJXDSCMV-UHFFFAOYSA-N
-1C3ED5632BBE40D6_AAC48DA9D9A0E628_6041_UN,COC1=C(C=CC=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,ZPTDPRKLBITZOJ-UHFFFAOYSA-N
-1DE6DE1A70027662_602813043DDF0DAA_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(OC2)C=CC(=C3)F,FGEXPLNGRUHVJY-UHFFFAOYSA-N
-1F435EE4E24D0D19_9A01B99ED890BEEE_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC3=CC=C(COC)C=C3,DZHRRUHQBZQTCF-UHFFFAOYSA-N
-23AE3DDF15FC9A04_D0A920B43E70B72C_6038_UN,N(C1C2=C(OCCC1)C=CC(=C2)F)C(C3=CC=NC(=N3)C4N(C)CCOC4)=O,SRTNABNHPYPTJY-UHFFFAOYSA-N
-243A32D4DE725820_4AE91FDC253053BA_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C#N)C=C3)C4,LECNNIKZZQPQIL-UHFFFAOYSA-N
-2534FF40A6896914_E041ACC0360F3053_6035_UN,CC(OC1=CC=C(C=C1)CC2COC(=O)N2)C3=NN=N[N]3C,FNYYHXNVBHIMRI-UHFFFAOYSA-N
-25AD13723B8FD30A_59D644B6E505F732_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C4=CC3=C(CCC3)C=C4)CC5,NZWROKCSLMLIQC-UHFFFAOYSA-N
-264F51ED6C5CD921_33D4F8DFB3777669_6041_DP,CN(C1CNC1)C(=O)C2=CN=C(N=C2)NC3C4=C(OC3)C=C(C=C4)F,CHTDFSYTKATDKL-UHFFFAOYSA-N
-26BEE6BBD1AA673F_CC4B567C7DB829B2_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,ADZXZMBJOXAPSX-UHFFFAOYSA-N
-26C642F311E436D9_A2FF10BACFE9BC03_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(F)(F)Br)C=C2)(=O)=O,HNZHFTCPYZWEKW-UHFFFAOYSA-N
-29B4122F331A783E_ABEB0A5FF792E82C_6029_DP,OC1(CN(CCC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=C(C=C4)Cl,HFQNYJRQURUSSD-UHFFFAOYSA-N
-2D2E89D6C995B64D_9A5410DACBBDDCCD_6038_UN,CC1OC(C(C1)NC(C3=C[N](C2=C[N](C)N=C2)C=N3)=O)C,YCTDVZCWACORKB-UHFFFAOYSA-N
-2FCE298E56B28092_EFCF52D7DF3F84D7_6041_UN,CC(=O)C1=CN=C([N]1C)N[C@@H]3C2=CC=CC(=C2OCC3)C,CNDVQKFQWBQENE-ZDUSSCGKSA-N
-3175F2A82F0EAB06_4CA79524E79115B4_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]3C4=C(OCC3)C=CC=C4,LBOSIIVEMLJUHU-HNNXBMFYSA-N
-323C00544949FBBE_74BE14078F18801B_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@@H]2CCN(C2)C(=O)C3=CC=C(C=C3)F)C=CC=C4,ZBRUPMRPQHYXJV-MRXNPFEDSA-N
-33093255614E26C9_82751CF5E25ABC69_6038_UN,CC1OC(C(C1)NC(C3=C(C2=N[N](C)C=C2)[NH]N=C3)=O)C,KPIHZAKAWDJVEN-UHFFFAOYSA-N
-33AD23091C5A0E06_6AD09219E76843F6_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,UYFKGKGRPFMGEL-UHFFFAOYSA-N
-363A476359FE095B_F3907361E3BD9D37_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CCCCCC3)C4=CC=CC=C4,QEEQKKJPTUNDPK-UHFFFAOYSA-N
-37272E6722B94DBE_38837D6991AA9B60_6031_UN,O(C(=O)C1=CC(=CC=C1)NC2=NN=N[NH]2)CC3(N(C)C)CC3,GOIKXOYXJGQVPL-UHFFFAOYSA-N
-384E8AD6446D4908_173F55FE889961E1_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C(Cl)C=C(N=C23)C4CC4)(=O)=O)C6=NC5=C(C=CC=C5)O6,UHPSXRVAHMHWFK-UHFFFAOYSA-N
-3A01EAFA77DD1D4C_9008F96938A7EF1B_6031_UN,CC1=N[N](C)C=C1C2=NOC(C2)C(=O)OCC3=CN=C(N(C)C)C=C3,LBKUCNGMOSBQNV-UHFFFAOYSA-N
-3C83BFD8CB215C39_DB7F82297BC7E8B4_6028_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)N3[S](C4=NN=C([N]4C)C5CC5)(=O)=O,AAJIGUWQINBVFU-UHFFFAOYSA-N
-3D96C92EDFAD3957_B759CF8AB2C322EE_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3COC4=C3C=C(C)C=C4,SNZDMYKOXMFKOW-UHFFFAOYSA-N
-3DCCE60487A60E7F_50FC2A7DB21B2175_6038_UN,CC1=[N](C=C(C=C1)OC(=O)CC2=CSC(=N2)C3=NN=C[NH]3)=O,PQJHPJJVLYUQEP-UHFFFAOYSA-N
-3FA0DB8D0C33DB2A_E490ED8854348C74_6041_UN,C1(=CC2=C(C=C1)OCC(=O)C2)N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,XXQRQDSTWSXBAW-IBGZPJMESA-N
-3FFA378DAF7FEFF6_AB420F9A4B1D5B9E_6038_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)C(C3(N(C)C)CC3)=O,GEURCNNWWFYYNJ-UHFFFAOYSA-N
-407A757FE2E30DBE_458F0EDF17D7DDF7_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NCC3=CC=C(C(N(C)C)=O)C=C3,RHIKWPRNZIEABO-UHFFFAOYSA-N
-40DBB6605172E3F9_C86729F745206601_6003_UN,O(C1=C(C=CC=C1)C2=CC=CC=C2)C3=C(C=CC=C3C(OC)=O)F,DLBIUEXVVVSLGW-UHFFFAOYSA-N
-40FDB62C3173D49B_5B67320383E4598C_7019_UN,OC(CC=CC1=C(OC)C=CC(=C1)F)C2=CC=CC=C2,ITYOKVANAPQGFB-UHFFFAOYSA-N
-43A8AA4C1C829D0C_80F43AF013675877_6041_UN,O=[N]1=CC(=NC=C1)NC2=C(C=C(C(C)C)C=C2)C(C)C,LWNMHCOFQAKYJG-UHFFFAOYSA-N
-45FDE17DA68B67FF_60CAD9639C7B4873_6035_UN,CC3=CC(OC1=CC=CC2=C1CCC(C)(C)O2)OC3=O,SSHKDENJZMPJMC-UHFFFAOYSA-N
-476C36EB04762245_9D09B8D7D39A9A1C_6036_UN,CC1=CC(=C(C(=C1)Br)F)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,VJNIDXVQJWMALT-UHFFFAOYSA-N
-48669877CECD9FB3_E450D30B816A6E96_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC4=C(N3CCCN(C)CC3)C=CC(=C4)F,UUPLKEGDNJDWSM-UHFFFAOYSA-N
-4BE91547D2E40590_F2ED3608D4B74117_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(C=C2)C3(CCCCCC3)C#N)(=O)=O)C4=NC=CC=C4,CWZPRBJJYRYIKZ-UHFFFAOYSA-N
-4E7699AF39AC837E_A3529A5C6491BB19_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,DRNJHUVVCVZEKE-INIZCTEOSA-N
-4E9E184BFF3B09E1_1B839C3E1ADD92FE_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(C=C(OC)C=C2)OC(F)F,KTEMMEQFJPSIAB-UHFFFAOYSA-N
-4F5E06D3FC2B0C3F_B78085545A9785F1_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2CCC3)(=O)=O)C4=CC(=C(C=C4)C)C,BJYUARHRMWRHEN-UHFFFAOYSA-N
-50BAD2FD5702BF64_267F01C5605F40D7_6029_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,NDTFXZOJWKQJRW-UHFFFAOYSA-N
-51544598CBC07599_6EF2D71B65F8BE50_6038_UN,CCC3=NOC(CNC(C1=N[NH]C(=C1)C2=C[N](C)C=C2)=O)C3,CXEMFHGLNTVGFX-UHFFFAOYSA-N
-51A1A45BE1B2F93F_7E06C1B04470ECF9_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=CC=CC(=C3)SC)(=O)=O,NNWNJHKGYNWADI-UHFFFAOYSA-N
-51C72B205D3389E8_B9501EC4F3DB4E07_6038_UN,CC(NC([C@H]1N(C[C@@H](OC)C1)C)=O)C2=CC=C(C=C2)C3=N[NH]N=N3,QPTQUYLFXWOAMM-RYQGGHCKSA-N
-51D043AF6EF74187_A9C5E953F6D86562_6035_DP,OC4CC(OC2=CC=C1C(=CC(OC1=C2C)=O)C3=CC=CC=C3)C4,SNHGEPCMCCACIH-UHFFFAOYSA-N
-53B2ABA08FAC1474_58B2CE6801C868BC_6038_UN,C[C@H]1C3=C(O[C@H]1CNC(C2=CN=C(N(C)C)C=N2)=O)C=CC=C3,RJNCTOBMXKGDBS-NHYWBVRUSA-N
-53C5C33148578775_E8FCB74DD90938E1_6029_UN,FC1=CC2=C(C=C1)N(CCN2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C5CC5,FIAORZDZSIPOAL-UHFFFAOYSA-N
-551163B9359CFB28_F5E9A0D0D0DE57A2_6038_UN,CN(C)C3=NN=C(CNC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)[NH]3,MOYKYRYCYXOXAK-UHFFFAOYSA-N
-55991BF7F76D13CC_D14A7D500A647E12_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)N[C@@H]3C4=C(OCC3)C=CC=C4,QXVJORICDXAMHV-HNNXBMFYSA-N
-560282C86A6E9280_8789AA81C6B9B8F4_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CN(C)C)C=C2)=O,QLBJKNJDHLKFRW-LBPRGKRZSA-N
-579B731AB9BFB642_4B99D223E6E10EFB_6041_UN,C[N]1C(=NC2=C1C=CC=C2)NC3CC[N]4C3=NC=C4C,PFWPWXBBKXYVCF-UHFFFAOYSA-N
-57C67334DD2E5A90_55BFC89E07EBF973_6038_UN,CC3(C)CC(NC(CC1=NN=C[N]1C)=O)C2=C(C=CC=C2)O3,PYZHTZTZZFXDGF-UHFFFAOYSA-N
-5B8CAC797749F384_0A1150FE3756F0FB_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CC=N[N]2C)CC3)[N]4C=NN=N4,BLEJECHNFJSTIW-UHFFFAOYSA-N
-5BA2F4800C564346_EC43BDBA5A839843_6026_UN,CC(C)(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=NC=C(C#N)C=C2)CC3)F,HYJWDVOXTJTWIF-UHFFFAOYSA-N
-5D45AAA65FE75F11_C2EAF05656F4205C_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,HIXJWIWLMOFGTF-UHFFFAOYSA-N
-60AD6B84B9A2C859_934899D92D5A3185_6041_UN,C[N]1C(=NC2=C1C=CN=C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,NTCYNNDURPVLSB-CYBMUJFWSA-N
-612759C293CB18C6_F8EB9C7BABDE50B8_6041_UN,CN(C)C1=NC4=C(C(=N1)NC3CCCN(C2=C(C)C=C(C=C2)F)C3=O)C=CC=C4,IBBZMMFVXODSBM-UHFFFAOYSA-N
-62E20D87A2CBA179_A758DABFF40FD063_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NC3C(C)OC4=C3C=CC(=C4)F,GYZFDJKCCRXBNP-UHFFFAOYSA-N
-6425C2D05E3A9C3A_723766535CBFE459_6038_UN,CC4(C)CC(NC(C2C(C1=N[NH]C(=N1)C)C2)=O)C3=C(C=CC=C3)O4,XNBXBTXYNJUKKF-UHFFFAOYSA-N
-657C0272BD72E2C4_9BD95517429FCE05_7022_UN,COC1=CC(=C(C(=C1)C)NC2C3=C(OC2)C=CC=C3)C,SDPLKJZONXLNDD-UHFFFAOYSA-N
-66B221D72FA8C1AA_DE9041EB7D47EBFE_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NC3C4=C(SCC3)C=CC(=C4)F,SELHBZCNOWFZNR-UHFFFAOYSA-N
-687839B454859777_1544EEDDF0CD056B_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=NC=CC4=C(Br)C=CC=C34)CC5,OPSBBIMUYTZMBS-UHFFFAOYSA-N
-68AD437775DAFAF0_04CBB57478486541_7017_UN,N4([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)CCN(C3=CC(=NC(=C3N)C)C)CC4,HPYPJCRWKOEDCL-UHFFFAOYSA-N
-69044DBCBF52E7BD_13F867E450AA21DB_6041_UN,CC(=O)C1=C(C(=CC=N1)NC3C2=CC=CC(=C2OCC3)C)C,RJMTUJYYNARWEE-UHFFFAOYSA-N
-69616D6A872DFE00_5A91DBCB69FBD444_6029_UN,C(N1CCCN(CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O)C3=CC=CC=C3,RPGLKRNECOZDHT-UHFFFAOYSA-N
-6B5F7EE136C9D942_D3FCEB6C3F86F7E2_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,DAQQFKCQPALTEJ-FQEVSTJZSA-N
-6EB6F51B34EA8143_04208FBF98621975_6028_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,HKXZQGTXXYVEJH-UHFFFAOYSA-N
-710F6D49D3128B67_D17EAF6C041F4076_6034_UN,O=C(C1CC1)C2=NN=CN2CC3=C(N(C)C)C=CC=C3Cl,NRAINDDXGCQECJ-UHFFFAOYSA-N
-711F982A0FD6A1A7_CD25B7F35F34829F_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=C(C=C3)CC#N,QWHSJCDVGRHLBZ-UHFFFAOYSA-N
-785CEBEFD67D3CA4_5E0961B63F5B33FD_6038_UN,O(CC1=NN=C[N]1C2CC2)C(C3=C(C=C(N(C)C)C=C3)C)=O,NXHRUNGFCXFJJJ-UHFFFAOYSA-N
-7CE7BDC454B8A9B2_0445A9E0A2B99BC0_6041_UN,O=[N](=O)C1=C(N=C[NH]1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,OJFWEWBQJUOQPV-SNVBAGLBSA-N
-7CEC49196C86DF6C_25E949B599FE493E_6038_UN,CC(C)C(NC(C1=CC(=C(C(OC)=O)O1)C)=O)C2=N[NH]N=N2,OKNNKUATDDZMGM-UHFFFAOYSA-N
-7D6682581D4E509B_A3D8F645EB425C5A_6029_UN,C(C1CCCCN1[S](C3=CC2=C(SN=C2Cl)C=C3)(=O)=O)C4=C(C=CC=C4)C5CC5,XAKRNKXBGXBNPC-UHFFFAOYSA-N
-7E963F59736AFA35_7B1AFA62966095CC_6038_UN,CC1OC(C(C1)NC(C2=N[NH]C(=C2)C3=C[N](C)N=C3)=O)C,UEXNNWQQWXVTAW-UHFFFAOYSA-N
-7FBACD2EDD12F1A8_99542E88F019D94F_6038_UN,CC3=NOC(CNC(C1=N[NH]C(=C1)C2=C[N](C)C=C2)=O)C3,YCISAFZOCLPXPE-UHFFFAOYSA-N
-810628E5E46E0AF6_C3794B24C1A1C631_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C=C2)F)OC)CC3)[N]4C=NN=N4,JKOANMVFPAWWIL-UHFFFAOYSA-N
-816E4EC015660F6A_DE7B4355222051CC_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4,PGXNPNZCORHVCC-UHFFFAOYSA-N
-81FBCD92BED0570F_2B061B788FB49F84_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NC4C3=CC=CC(=C3OCC4)CC,AGUUJWVLQMFKBK-UHFFFAOYSA-N
-8217EEB9EF095F91_1200AA944FB9CDE3_6038_UN,CCC(NC([C@@H]1[C@H](CN(C)C1)C2=CC=CC=C2)=O)C3=NN=N[NH]3,WLHAPPNTHBFCTA-AMIUJLCOSA-N
-83555E055FB3156A_624ACF2BAA7EC51A_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC3=C(COC)C=CC=C3,RLFLVZBVKKPTBG-UHFFFAOYSA-N
-85242C1E353A9671_091BCBDDB3A03AF7_6029_UN,N(C(C1CCC1)C2CCC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,UHSYOKBUGZLNSF-UHFFFAOYSA-N
-8584982AF8BBAF0A_1FC83057E15B3A88_6041_UN,CC(=O)C1=NC=C([N]1C)N[C@@H]3C2=CC=CC(=C2OCC3)C,HIOYCNGMQJDBOT-ZDUSSCGKSA-N
-86705F56E1474C34_81CBA7049D50078D_7022_UN,CN(C)C1=NC=C(C=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,UQNHAXVKWUSZDS-CYBMUJFWSA-N
-8AEEC5ADAB70D958_838E6E6E5256F74F_6041_UN,C1(=CC=C(C=C1)N2CCC2=O)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,NUBVKKKEBMETIZ-SFHVURJKSA-N
-8BAEB188A41C4FC3_2D8A0F5C8DBDD2F3_6041_UN,C2(=C1C(CC1=CC=C2)=O)N[C@H]3[C@@H](OC)C4=C(C3)C=CC=C4,LZIILLNYRIIWOW-QAPCUYQASA-N
-8BAEB188A41C4FC3_EF3ECC3B2BE2334E_6041_UN,C2(=C1C(CC1=CC=C2)=O)N[C@H]3[C@@H](OC)C4=C(C3)C=CC=C4,LZIILLNYRIIWOW-QAPCUYQASA-N
-8C3DA3ABD5883D89_2B4A36E214C73221_6041_UN,CN(C)C(=O)C1=NC(=CN=C1)N[C@@H]2C3=C(OCC2)C=CC=C3,FCCRFKBMEOCWOF-LBPRGKRZSA-N
-8CAB5FEC676B812D_2B178FA3ADA6C953_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4)Cl,MIVXINHLXUWYEF-UHFFFAOYSA-N
-90082BB9ED282C35_292552F4AFB929A7_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O)C4=CC=CC=C4,SLWRYYGQJCXECJ-UHFFFAOYSA-N
-905C55A911A04885_CB4A7CC78AF5C9DE_6034_UN,O=C1N(C(CNC1)=O)CC(=CC2=C(COC)C=CC=C2)C,BPZYYWFULZYOOT-UHFFFAOYSA-N
-924BCEA8AB0AF29C_0596104F9FAB870F_6039_UN,C[N]1C=NC(=N1)C2=CC(=CC=C2)OCC3=CN=C(N(C)C)S3,QTFGJCDXHBXINW-UHFFFAOYSA-N
-92DD2E62A90DDAED_ACCB7B6B42851BFE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3CCC(C)(C)C4=C(C3)C=CC=C4,LWBMADOEHHQXCH-UHFFFAOYSA-N
-9350240F4247DF51_2DB0AA69F11B9AA3_6034_UN,O=C(C1CC1)C2=NN=CN2CC3=CC(=C(N(C)C)C=C3)F,NUACWNLVGHKXTF-UHFFFAOYSA-N
-9449021DCA8D2A0D_FE51C6ABAFAEA60C_6029_UN,C[C@H]1C4=C(CN1[S](C2=C(Cl)C=C(C=C2)C3(CCC3)C#N)(=O)=O)C=CC=C4,WIRWDQPQQLSNSC-AWEZNQCLSA-N
-94CF1978DEA5EE24_4DDE9D286D3AD6ED_6041_UN,COC(=O)C#CC1=CC=C(C=C1)NC(COC)C2=NN=N[NH]2,XRLHUWJQLRGALV-UHFFFAOYSA-N
-958633D85F1E4C01_FF5DA2A9A7BC228D_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C4=CC3=C(CCC3)C=C4)CC5,KTLDZFPUNVFBCK-UHFFFAOYSA-N
-95A8990717A5DFBA_6D1E6A56048571BA_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)N[C@H](C3=CC=C(SC)C=C3)C,GHFHTEAGSRXODA-NSHDSACASA-N
-966F651E3B44B7EC_9D2F8FF3A028E8DB_6041_UN,CC1=C(N=C(N=C1)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4)C5=C(C=CC=C5)F,OXFWYWCWRLPGSO-UHFFFAOYSA-N
-9772B34299F06AD5_C7D2B4EB909848B3_7022_UN,COC1=C(C=C(C=C1)OC3CN=C2N(C=C(C)C=C2)C3)Cl,OTXSFEFZPCWVAH-UHFFFAOYSA-N
-9B04F9B89F3C8947_3001FC358AD73665_6029_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,NRPQNGBFPRGQTL-UHFFFAOYSA-N
-9BBB024866CF8D5F_5F14A52C11774822_6026_UN,[S](=O)(=O)(C2=C1OCCCC1=CC=C2)N4CCC(C3=C(C=CC(=C3)C)C)CC4,IUTLNELDPLTHMS-UHFFFAOYSA-N
-9CD15B4B9F9B143A_0B87028E07A933A8_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C4=CC3=C(CCC3)C=C4)CC5,OMOXBEMDVSMNGJ-UHFFFAOYSA-N
-9E6244EC1B7F8277_D6E70D9E6117722A_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,IZFDAQSDIWKDBK-UHFFFAOYSA-N
-9ED8A57E195FE558_853E7433F562A1F9_6029_UN,OCC1(CCN(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)C4=CC=CC=C4,FFNZRQUTSAXQFP-UHFFFAOYSA-N
-9ED98B89C7836FBD_ACA429CFA1045DA4_6038_DP,N1CC(=CC1=O)OC(C3=CC2=C(C=CC(=C2)OC)OC3)=O,DMXMFJYXBRDEDP-UHFFFAOYSA-N
-9F7E878BF46FBB5C_54548CFFD1D32C8B_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=NC=CC4=C(Br)C=CC=C34)CC5,KJSIPMLWVFXXAZ-UHFFFAOYSA-N
-A022453D1E06F967_F9A75EFA8905C36A_6041_UN,CC1(C)C(CC1=O)C2=CC=C(C=C2)N[C@@H]3[C@H](OC)COC3,DNADIBAMIVYEEA-NOYMGPGASA-N
-A109622FFB6B6C49_5828EC07888F8F0C_7022_UN,COC1=C(C=C(C=C1)OC3CN=C2N(C=C(C)C=C2)C3)F,OIIIYLBHTRQNDK-UHFFFAOYSA-N
-A22814A02EC4B113_B5643A9260E035D3_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC=C(C3=C[N](C)C4=C3C=CC=C4)CC5,AOCWYWUNGMZINI-UHFFFAOYSA-N
-A3DCB2B600656107_06BF1582340D33E6_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,UCYGKCUCNOPDTN-ZDUSSCGKSA-N
-AA049D3341D40FC7_0A678E3430A79213_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H]3[C@H](OC)COC3,YWHZNEJNNFMFDX-LWNNLKQOSA-N
-AB0CA4ACC19804A2_9AB1233B0AA908A6_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC3=C(C=C2OCOC2=C3)Br,RGDWHNKKAZFEIQ-UHFFFAOYSA-N
-ADE6803BE512861C_020F09DC8092AF09_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)N[C@@H]3[C@H](N(C)C(CC3)=O)C4=NC=C[N]4C)F,KGLOSGGJYDQYME-BBRMVZONSA-N
-AEBDE4280AD32730_61CA87E717951BDD_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2C)O,BYZWHZLBOFGZPG-UHFFFAOYSA-N
-B2C311FDC5711EB4_DAF38C84E462A0E0_6003_UN,O(C1=CC=CC=CC1=O)C2=CC=C3C(=C2C)CCC3=O,FGEIGHBIYRRLMN-UHFFFAOYSA-N
-B44FF8F8173A739C_3EDC0C060BE77AC4_6029_UN,C(N1CCN(CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O)C3=CC4=C(C=C3)OCC4,CPVJLLCZSZFWEM-UHFFFAOYSA-N
-B464E269ED973515_8081E9FF23DB508A_6029_UN,C1N(CCN(C1)C2=CN=C3[N]2C=CC=C3)[S](C5=CC4=NC(=C[N]4C=C5)C(C)(C)C)(=O)=O,RUSARRMMMZFQGR-UHFFFAOYSA-N
-B67C998BC981FA41_23128B26702C5581_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]3CCOC4=C3C=C(C)C=C4C,FDJIOXFBKDUJJF-INIZCTEOSA-N
-B797ADD4D40E830E_E4A42D7A4118F503_7019_UN,C(C1=NO[C@@H]2COC[C@H]12)=CC3=CC=CC(=C3)C(OC)OC,RMUADWDIHLXZHT-UKRRQHHQSA-N
-B79BD601D5A4CBE0_DAC26B04892435DA_6041_UN,COC(CC1=CC(=CC=C1)N[C@@H]2[C@H](OC)COC2)OC,CAKMEIIPBTWNIT-UONOGXRCSA-N
-BA4CED7B8A7500F3_839D326AE0A117A6_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)CC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,ADUFDMBPAFSLAN-FQEVSTJZSA-N
-BBA90FDC0ED1A9C8_78733397324D5DE9_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CC=C3)CC#N,SUJLQDNNWJNKRN-UHFFFAOYSA-N
-BCFC0F861680CB31_0B79D652D102A6A2_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4,HCLLTJHYWPBYEB-UHFFFAOYSA-N
-BD2E90BB8E75E0FC_C67EEB2B117CFC04_6038_UN,COCC(NC(COC1=CC(=C(C(C)C)C=C1)C)=O)C2=NN=N[NH]2,UUWHXYVORFFEAG-UHFFFAOYSA-N
-C1DE7D1BCB7F3413_335575ECBB96AC73_6029_UN,CC1(C)CN(CCN1[S](C2=C(C)C3=C(C=C2)CCC3)(=O)=O)C4=CC=C(C=C4)Cl,SVYYMCOUODDJNX-UHFFFAOYSA-N
-C3397980E7AE6539_2172DC201A130E46_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,QXLZPLZRGBNIDW-UHFFFAOYSA-N
-C4B92A814932584A_5DFEBB20AFDD34D9_7022_UN,CN(C)C1=NC=C(C=N1)NC2C3=C(OCC2)C=CC(=C3)Br,PZJIPUBYKHRRBB-UHFFFAOYSA-N
-C4BA0064D80F6C11_2DE1E39AA878A523_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2C3=C(SCC2)C=CC(=C3)F,DDOLOXSVYAKWPS-UHFFFAOYSA-N
-C72574CE82B2F606_3FC6D26CE010BBFF_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N4CCN(C3=NC(=CC(=N3)C)C)CC4)Cl,GUBKQNYHSYKBCD-UHFFFAOYSA-N
-C72797DBB221A332_7CF17AA2885ABD82_6028_UN,C2CCC1=C(C=CC=C1)N(C2)[S](C3=NC=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,VUOWKMYKKFAYJA-UHFFFAOYSA-N
-C78F9EF3B3B4E07B_F70F6A15D6381C2D_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4)Cl,SBBDKIPTRNFFQK-UHFFFAOYSA-N
-C7DF97F886251AF5_C08D9AB24CE9071A_6029_UN,CC2=CC(N[S](C1=CC=C(C(F)(F)F)C=C1)(=O)=O)CCC2,ZWFYNTCCCRDSCF-UHFFFAOYSA-N
-C80E9B83FF6D7E93_2198C4783AB1DFCA_6039_UN,O(C2C[C@H]1OC(=O)O[C@H]1C2)CC(OC)C3=CC=CC=C3,WJCOQOSXJUTDBR-AKJUYKBHSA-N
-C86C832FFB063F38_6EB1959D3D3514FB_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,JGESNSBUDGJTIM-UHFFFAOYSA-N
-C93880E8ACF946D9_7DB281BF8D902A41_6034_UN,CC(=O)C2=NC1=C(C=C(C=C1)Cl)N2C[C@@H]3CCCN3C,GQTZQHIJWUNNKV-LBPRGKRZSA-N
-C963E9301DE24C10_B01890B3C466F22D_7019_UN,OC3CCC(C=CC2=CC=C(C1=CC(=CC(=C1)C)C)C=C2)CC3,YZXWTVQBWZGFEV-UHFFFAOYSA-N
-C99C412642A53A8A_3308B124BF83B7C0_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@H]4C3=CC=CC(=C3OCC4)C,XORPOFHFEJKSSN-MRXNPFEDSA-N
-C9B90E3A107B343B_CC5B7406A5D19649_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,ZZYNBYKENIWCJZ-UHFFFAOYSA-N
-CB3775289BF82AC2_B3ECCA0E8F232FA7_6031_UN,CC1=N[NH]C(=N1)CC(=O)OCC2=C(N(C)C)N=CC(=C2)Br,CSXUJSRJMVMDPJ-UHFFFAOYSA-N
-CBF003EBE4BE9C0A_AFC6AAA580A26CDD_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C#N)C=C3)CC4,HNSBAMRGGDJWTC-UHFFFAOYSA-N
-CC949007BD469BE6_845820AD70793266_6041_UN,CN1CCN(CC1)C2=NC=NC(=C2)NC3C4=C(OC3)C=C(C=C4)F,ZEKNTKQIQNJPKK-UHFFFAOYSA-N
-CD60E6814D3298C4_8E75021136DDC36B_6038_UN,N(CC1=C[NH]N=N1)C(C2=CC(=C(C(=C2)F)C#N)OC)=O,DGNIXHPHDBCTFH-UHFFFAOYSA-N
-CD6C4FCDC17A277E_4C92DAEADB61425E_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,PONOSDXQVUYURF-UHFFFAOYSA-N
-D1356C838F689757_185778FD0F3C1DB8_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C=CC(=C3)C)C,IUZRDYUFMUGLDM-UHFFFAOYSA-N
-D24F3ED74227B04F_666500C40ABFD45C_2201_UN,CC14CC1CCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,HMWORYWWPUPXSI-UHFFFAOYSA-N
-D26AAC85C15C0927_59BA75441B8C509E_6041_UN,CN(C)C1=NC3=C(C(=N1)NC2C(OC(C)C2)=O)C=CC=C3,UYZUBNPAVAOUSI-UHFFFAOYSA-N
-D3367E3335171322_A08B616AAF5015B5_6029_UN,C1N(CCN(C1)C2=C3C(=NC=C2)C=CS3)[S](C5=C(C4=NC(C)(C)CO4)C=CC=C5)(=O)=O,JZDCZQMJEYXQOM-UHFFFAOYSA-N
-D351E90742B4FBCC_2ADF51BE52C95D19_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4,LTCXRHAGFYOJMQ-UHFFFAOYSA-N
-D389A060C5A88847_9537F215753A9CE8_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,SBGHQUTXVJEYCR-UHFFFAOYSA-N
-D7255E3B3E0DA02E_A56B42DC09051277_6041_UN,CC(=O)C1=C(C=CC=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,PJOFMWDHHDVBGS-CQSZACIVSA-N
-D799E27168F3C1B5_EA193CF599D897E1_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,YEPRHWZNNCOZBF-UHFFFAOYSA-N
-D981F8B6713AC322_DD26B5ACB91AE237_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,JYAJSCURWWUWRW-UHFFFAOYSA-N
-DA1CB4D2FA478150_B035069CBF170FE5_6029_UN,C1C=C(CN1[S](C3=C(C2(O)CCCCC2)C=CC=N3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ONKOHAUPEAZWPP-UHFFFAOYSA-N
-DA2290BC3CF9DA35_B800711B260D9051_6028_UN,C1CN(CCN1[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O)C3=NN=CC=C3,QYJOLWCKHKSOHH-UHFFFAOYSA-N
-DB12C0DBABEEDC2F_7D8E5C0C249A1A5F_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C(N(C)C)=O)C=C(C=C4)C,UVNPVKRAMQDTHO-UHFFFAOYSA-N
-DE36CDBD9184C8DF_1863E94C4A0F0CB1_7019_UN,CC(C=CC1=C(OC)C(=C(C=C1)Br)F)C2=CC(=CC=C2)Cl,XXWAIGHIKNUUIT-UHFFFAOYSA-N
-DF623A2D9EBF1E75_B8487ACD7B74537B_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=C(C)C=C3)C)CC4,BWQMCGJYPRZBHO-UHFFFAOYSA-N
-DF8A7ABADAD5A29C_A6BBB85E3E5343D1_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3)[NH]4,KZVRPAGQDKEACT-UHFFFAOYSA-O
-E1A9DF34F5289339_A5BB5D568C914B54_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=CC=C(N3CCC(N(C)C)CC3)C=C4)F,DNEOUKOLDXEKAF-UHFFFAOYSA-N
-E1F2307227684B4D_54F1C140C636E220_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CCN(C3=NC=CC4=C(Br)C=CC=C34)CC5,DPFCOKXEXHVCGO-UHFFFAOYSA-N
-E2BBCB4621136B7E_FE6508CAAA75C306_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(C=C(N(C)C)C=C3)C,VKBNQAFONMRMCJ-UHFFFAOYSA-N
-E3D216C70910F82C_229D32EFB31E2E42_6027_UN,N(C1=CC(=CC=C1)C2CCCCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,JNRFPPJCMBFZTI-UHFFFAOYSA-N
-E4B4D5239B7734E1_AFD332E00B8DAA4A_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O,MLJBTJBMMJPQRH-UHFFFAOYSA-N
-E5EA804DB710A708_E6D165AEA5B6B8F3_6038_DP,CCC1=CC=C(O1)C(NC(C3=NOC2(CNC2)C3)=O)COC,RAFFONGTEFNMBQ-UHFFFAOYSA-N
-EC88CD2249FABB65_D951346568D6C9D7_6038_UN,CCCC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[NH]3,PSYJHLQASJDZHH-UHFFFAOYSA-N
-ED3C96E40D8E5DC2_F66EC1C618639465_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CCCC4,QAPXSKPFBZAUKW-UHFFFAOYSA-N
-EF32DBCB224F13D3_4336CC1CE94B1430_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=C(C=C(C)C=C3)C)CC4)I,BJQVCURXMQQFEF-UHFFFAOYSA-N
-F4D6CF0626F39950_6C5D20124CB15758_6029_UN,ClC1=CC2=C(C=C1)N(CCN2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C5CC5,ODGFYMYSXWMJEA-UHFFFAOYSA-N
-F5D847ECD232293D_03CAA616C8854BCD_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F,XFEBXJRWHXJQDQ-LBPRGKRZSA-N
-F6C9E6F2C0078589_9814FFC289681FE8_7019_UN,CCC2CCC(C=CC(C(C)C)C1=CC=CC=C1)CC2,IYAHOWDPXMLPNY-UHFFFAOYSA-N
-F7C7C5536EDFCE9B_7BC2D12C0A62D8DC_6039_UN,O(CCN1C(=O)CNC1=O)CC(NCC2=CC=C(OC)C=C2)=O,YJIWSDOXTIQWKO-UHFFFAOYSA-N
-F96AC078C40E9649_D788163B6BEFDF37_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,KDQVGGZSIGGQDO-KRWDZBQOSA-N
-F9A413F10940C5B7_CA3F01528605A987_6034_UN,CN(C)C1=CC(=CC=C1)C2=NN=C(N)N2CC3COC(=O)N3,MMRXXFFBONYJHE-UHFFFAOYSA-N
-F9FF9554FE40831D_49A193B4DC7CBEB7_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)NC3CC=C(C(OC)=O)C3,HOJNTGAKDUDXQC-UHFFFAOYSA-N
-FB1E7571C74CC6BA_58533B38631444D6_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2CCC3)(=O)=O)C5=C4C=CN=CC4=CC=C5,LITWPBJSGQXWRA-UHFFFAOYSA-N
-FC078764AAA475C4_F343628B4518F215_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)C)Br,HZXVJFYRFWMNDD-UHFFFAOYSA-N
-FC5F1F682992B6DF_B159476FDEF304DC_6029_UN,N(CC1CC=CC1)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,LAQWBOUQSATPJD-UHFFFAOYSA-N
-FE87C773A1448101_9E0A323E477D52D3_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,YPUHXCGHMIEDDD-UHFFFAOYSA-N
-FEC0CAAB7A73464B_89227B298D7C606B_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]3C4=C(OCC3)C=CC=C4,VXNJQXXXZKNBFA-AWEZNQCLSA-N
-FEDC7D39EA55A17A_7D83BA83723E5437_6038_UN,CC3(C)CC(NC(C1=C[N](C)N=N1)=O)C2=C(C=CC=C2)O3,GKYFZEVSDOFFJS-UHFFFAOYSA-N
-FF604F8AFE5D12BA_C4BF399A97C79C8C_6041_UN,CN(C)C(=O)C1=NC(=CN=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,UBSXIUGBHPPGAB-ZDUSSCGKSA-N
-rxn:2:100691:149518,CC(NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,JCWQYTOEOBBVGP-UHFFFAOYSA-N
-rxn:2:111489:95293,CC1(C)CC(Nc2cccc(N3CCS(=O)(=O)CC3)c2)c2ccc(N3CCCC3)cc2O1,ATJCLMRKCYTUIE-UHFFFAOYSA-N
-rxn:2:111550:126442,CCC(N[C@H](c1cccc(S(C)(=O)=O)c1)C1CC1)c1cnc(N2CCCCCC2)c(C)c1,ZTYNBCUHOBWOTK-BBMPLOMVSA-N
-rxn:2:113994:148822,CSc1ccc(CN2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CC2)cc1,CRYHWOZVIBNBCR-UHFFFAOYSA-N
-rxn:2:121854:149117,CC(C)(CN1CCN(C2CCCC2)CC1)NC(c1ccn(S(=O)(=O)c2ccccc2)c1)C1CC1,CRRPWHFLQOVOCS-UHFFFAOYSA-N
-rxn:2:129408:148294,Cc1cc(N2CCN(C3CC3)CC2)ccc1NC(c1cccc(S(C)(=O)=O)c1)C(C)(C)C,KBPDOHSSZQGHLS-UHFFFAOYSA-N
-rxn:2:134766:102262,CC(C)(C)c1ccccc1N1CCC(NCc2cccc(N3CCS(=O)(=O)CC3)c2)CC1,WMTSHEXUWNHPNC-UHFFFAOYSA-N
-rxn:2:134766:72283,CC(C)(C)c1ccc(N2CCC(NCc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)cc1,PYOLUJCYMYFMTP-UHFFFAOYSA-N
-rxn:2:134766:95293,CC1(C)CC(NCc2cccc(N3CCS(=O)(=O)CC3)c2)c2ccc(N3CCCC3)cc2O1,RLGYGPZQXFMXRK-UHFFFAOYSA-N
-rxn:2:66911:148822,CCCN1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,YESLAVQWIALOGF-UHFFFAOYSA-N
-rxn:2:67832:103302,CCC(Nc1cc(N2CCCC2)ccc1S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1,YEXBAPOISKWZOC-UHFFFAOYSA-N
-rxn:2:72108:160422,CC(C)(CNC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCC2)cc1,PHTDVLMNJGHQFF-UHFFFAOYSA-N
-rxn:2:72267:148822,CCCN1CCCC(c2cccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)c2)C1,QVYOOZWDXQSYQO-UHFFFAOYSA-N
-rxn:2:77257:126442,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)c1cnc(N2CCCCCC2)c(C)c1,JOZDYIBGMYHJEB-UHFFFAOYSA-N
-rxn:2:78357:121598,CC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(CC2CCC2)CC1,OZYBZELSXRVLOP-UHFFFAOYSA-N
-rxn:2:85575:95293,CC1(C)CC(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccc(N3CCCC3)cc2O1,FAAZATGTZHUZOP-UHFFFAOYSA-N
-rxn:2:94537:148103,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)Nc2cc(C3CCCCC3)ccc2N2CCCC2)c1,GNSILEBLEDWXFA-UHFFFAOYSA-N
-028818092C8CBA73_2F1D0DD2A3742DF6_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C(C(C)C)[N]3C=NN=C3)=O,FWOPAUXNJQQDSJ-AAFJCEBUSA-N
-0325C8F526D58AFD_78F331C4665C44D6_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C4=NN(C3=CC=CC(=C3)C)C(CC4)=O)=O,DGJMUCJTLVEVKV-UHFFFAOYSA-N
-045EE12BEC8CFA20_B04FA17B9476878A_6026_UN,[S](=O)(=O)(C2=C1C=NC=CC1=CC=C2)N3CC(C3)OC4=NC=CC=N4,GHUNGONEBGOPED-UHFFFAOYSA-N
-04D6FAA48599AA6B_D65F9B867689784A_6041_UN,COC(=O)CC1=CC(=C(C=C1)C)NC(C)C2=N[NH]N=N2,WVEVRNOCZHSYOF-UHFFFAOYSA-N
-0501A0528DB8BFB5_160D914B08FC60D2_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)[N]3C=C(C)N=C3)(=O)=O)C4=CC=CS4,JOMHNSRKJMSJBD-UHFFFAOYSA-N
-06F659AB0EB95505_0CEF204C58E33F12_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)N4CCCC4=O)C,RPEALPBEQARPBL-UHFFFAOYSA-N
-07A9BC6F0B965EC2_2DA0B5240FC696AE_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=C(C=C3)N4CC=CC4,QLCLXTHLEBGJRQ-UHFFFAOYSA-N
-07C2045369493F36_48A55B1E5BD5782C_6004_UN,CC1=C(C2=C(C=N1)C=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,YXXIOXCXXPKURU-UHFFFAOYSA-N
-084C1ACF0517288D_8248B8BF03AA8276_6028_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C4=CC5=C(C=C4)OCCCO5)(=O)=O,JWBPAZKSMSYNQE-UHFFFAOYSA-N
-0AF6815D90B1BB4E_770EC66427AE3545_6029_UN,C1CN(CCN1[S](C2=NC=C(S2)C3=CC=CC=C3)(=O)=O)C4=NN=CC=C4,OFQUOMPILWSNEA-UHFFFAOYSA-N
-0BB47A7F6F424121_F91D097678F15C68_6038_UN,C[N]1C=NC(=N1)C2=CC(=CC=C2)OC(C3=NN(C(C)C)C(CC3)=O)=O,VZIJFJZKKDXBKB-UHFFFAOYSA-N
-0BC1BB0E816F6019_1702C49D0848DB09_6036_UN,C(C1=C(C=C(C=N1)Cl)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,JAHPGHSYVANGCB-UHFFFAOYSA-N
-0C26B51261F0C0B0_8828D6FDF8C96AE2_6041_UN,OC(=O)C1=CC(=NC(=C1)NC2=C(C=CC(=C2)C(C)C)C(C)C)N4CC[N]3C=CN=C3C4,JXBYQHVTAJGDSK-UHFFFAOYSA-N
-0D1C61F11FECF539_895CD635A8FA9DAA_6029_UN,C1C=C(CN1[S](C3=C2C=NSC2=CC=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZUPOEHPXBVEANJ-UHFFFAOYSA-N
-0DC48CADC22CF817_5721B726138275BD_6029_UN,C[N]3C=C(N[S](C1=CC=CC(=C1)C2(O)CC2)(=O)=O)C(=N3)C4=NC=CN=C4,GQBGAVNPAHYCMV-UHFFFAOYSA-N
-0E2FC0653FF73C18_0506687B73CB1962_7019_UN,CN4CC(C)(C=CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)C4=O,IACXUOLKYGBXMT-UHFFFAOYSA-N
-0E4AE883A3E37F59_48CD5A9380E3A30F_6038_UN,CC3(C)CC(NC(C1=N[NH]N=C1C)=O)C2=C(C=CC=C2)O3,PXRAVEGVTSWQCB-UHFFFAOYSA-N
-124AAB845F9BC924_9A864D7A614682DE_6038_UN,CC1=C(C=C(C=N1)F)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WYEYERZJSBPRLR-UHFFFAOYSA-N
-1378C1523F0652C1_3AADF888E898CBE5_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C3=CC=N[N]3C)C4=CC=CC=C4,OVFBPOPUACWJLA-UHFFFAOYSA-N
-13A4FFBDF84CF5D8_39D398C4D312D646_6038_UN,N(C2=C[N]1C=NN=C1C=C2)C(C4=NN(C3=CC(=C(C=C3)C)C(OC)=O)C(CC4)=O)=O,HZQNUKCVEGPLOQ-UHFFFAOYSA-N
-13C851C01A653E8F_5F416FC7631DB700_6038_UN,CC3=C(OC(=O)C1=CSC(=N1)C2=NC=CC=C2)COC3=O,UPWCDZSOETUJMJ-UHFFFAOYSA-N
-13DF098B1AE0D3CA_4FEF08F080A3C724_6029_UN,N(CC1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,YNOMWJRSBKGRTL-UHFFFAOYSA-N
-143D4EDD69C0CA31_8456A3F7514F14EA_6038_UN,C[N]1N=NC=C1COC(C3=NN(C2=CC=C(C(C)C)C=C2)C(CC3)=O)=O,RTMXURLJJDWHRH-UHFFFAOYSA-N
-147DB94F68E2CB9B_6C6E0C9C3D961810_6041_UN,C2(=NC1=C(C=CC=C1)[N]3C=CC=C23)N[C@H](C)C4=CN=N[N]4C,USSUUBPFKWQQDQ-LLVKDONJSA-N
-151AC75CE074E087_976D2B7E68355529_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCCC3)Br,KAOLFZJIHGNGHY-UHFFFAOYSA-N
-175D82BDBE0E5731_ECB541D10F054C5C_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,PRGPXMSNFZNTBX-UHFFFAOYSA-N
-17969401B99F10A8_8B611BFF51A5CAC6_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C3=NOC(C)(C)C3)=O,SNIHKWOJPFWLQE-UHFFFAOYSA-N
-1B704DC54DC4FCC7_D74EFD1FF06E8818_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C)[N](C(=C3)C)C4CC4,QEBOPFNOUAWLMP-UHFFFAOYSA-N
-1BD9CA6B3223DB70_DA900AEBE81B0047_6038_UN,CC1=NC(=N[NH]1)COC(C3=NN(C2=CC=C(C(C)C)C=C2)C(CC3)=O)=O,BVWFJGLLOMAZAR-UHFFFAOYSA-N
-1C0E4344A8EDB28D_D4FA42EC9D03DBCD_6038_DP,OC(=O)CC1=C(C=CC=C1)OC(C2=N[N]3C(=N2)N=C(C)C=C3)=O,FPOFPJJDKICSSM-UHFFFAOYSA-N
-1D0C5850B86CF051_CA865552EC66D524_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C(C(C)C)[N]3C=NN=C3)=O,QEEXNMJZZHAJPP-UHFFFAOYSA-N
-1D85A11565652BA3_A4220B5BAE28C95F_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC=NC(=C3)N4CCCC4,XCQRYLYFXLCEHO-UHFFFAOYSA-N
-1E606B7A9B9B1749_430752BCF160BCA4_6036_UN,C(C1=C(C=NC=C1F)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,IPQKLTGKFNPDQX-UHFFFAOYSA-N
-1EE41EA0C6101C74_582BE1CF161ED874_6038_UN,CC(C)[N]1C(=C(C=N1)NC(C2=N[NH]C(=C2)C3=CC=C(C)S3)=O)C,UIUCSOMVQBGTLX-UHFFFAOYSA-N
-1FA7F700804C55BD_F6C08E1AEC66E566_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4=CC3=C(OC(C)(C)O3)C=C4,NRVGXGRQLPPKGP-UHFFFAOYSA-N
-21B3B5A99E34B790_04A70E424FC31ACA_6041_UN,OC(=O)C2=N[N]1C=CC=C(C1=N2)NCC4=CC3=C(OC(C)(C)O3)C=C4,YVKVRQPWWNKFBB-UHFFFAOYSA-N
-22EC4D9BF5D585F3_95151B44942B4FE7_6041_DP,C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)NC4C5(C(O)C4)CCOCC5,PNXSEBMXSWTUAO-UHFFFAOYSA-N
-2361CCB6C94891D5_6879C47CC72611E0_6035_UN,CC[S](=O)(=O)C1=CC(=CC(=C1)Cl)COC4=C2CCCN3CCCC(=C23)C=C4,USYAGPPBUXKIJO-UHFFFAOYSA-N
-23DEBF65A2876B51_71DF4827AED61DF7_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2O)OC,KAOZGDNVKCWODR-UHFFFAOYSA-N
-243E20C773E3F997_63B645CDBAF5D368_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,NDJPMJYQAGOPDL-UHFFFAOYSA-N
-25160DB245EE2A3A_A7FEED80AAA81A2A_6029_UN,N(CC1(CCC1)C2CC2)[S](C3=CC=C(C(C)F)C=C3)(=O)=O,PVMGGOHMAFLDPT-UHFFFAOYSA-N
-257902884B2D002C_82D8FE2DD9514100_6029_UN,C#CC1CCN(CCC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,LNDLBRHQVFLPEQ-UHFFFAOYSA-N
-270959DAA1E560E1_B018A3215790189E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](C(C)(C)C)(=O)=O)C=C4,NQNSRQJNOMICCW-UHFFFAOYSA-N
-2764E3B0C0583BF3_FED06EEBB6332F41_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C4=CC5=C(N=C4)OCCC5)(=O)=O,ZILPTORGADJTSM-UHFFFAOYSA-N
-27922EA91DDF79B9_BD12284CA0003171_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCC5,OIWPECZYCOAKNF-UHFFFAOYSA-N
-283CCF56DA5F2E05_300C202E9BB452D7_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)C4CC4,XNXZOUHGQXAPCN-UHFFFAOYSA-N
-29A8BB6DB3250CD2_BC536490AD0B0071_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=C(C=CC=C4)[S](=O)(=O)N5CCCC5,ZWZRTHIMVZOUAV-UHFFFAOYSA-N
-2A53C5B6915EE0E8_EA40321CD7F02C1C_7005_UN,[NH]2C1=CC=C(C=C1N=C2C3CCCC3[S](C)(=O)=O)C5=NC4=C(C=CC=C4)S5,QPHWXWSMJVAEJL-UHFFFAOYSA-N
-2B129EE1307216D9_4D27E26C8B6A7AFA_6041_UN,C1(=CN=C2COCC[N]12)NC(C3=NC=C[N]3C)C4=CC=CC=C4,SSTZRGOQEDFWOL-UHFFFAOYSA-N
-2B15C67F3043FD05_2BE085D7571B5E50_6029_UN,C1C(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=N[N]5C(=C4)CCCC5,CNFCSJONNNKLTN-UHFFFAOYSA-N
-2B277945F537DA49_EDFE26E3B11A0F8F_6038_UN,N(C(C[N]1C=NC=N1)C2=CC=CC=C2)C(C3=N[N](CO)C=C3)=O,QIWHXYCVBLNPQL-UHFFFAOYSA-N
-2BDE4A3A0B24BE83_1B6ABB6A7713C07A_6029_UN,C2CC1=C(N=CN=C1)CCN2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,USPDDUHAUIMMFC-UHFFFAOYSA-N
-2C61C0A1ED87AFC8_519034CB7F218287_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=N[N](C)C=C3)CC4,XGZWGIDONIBTQM-UHFFFAOYSA-N
-2D5394BB5CABF308_1026D7B012ED61D4_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C(C)C=C2)N=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,SRCYGSGTGFXCHW-UHFFFAOYSA-N
-2D5D4C06868E9695_2BD1BEB39D62DCA8_6038_UN,C[C@@H](NC(C1=C(C)C2=C(S1)C=CC(=C2)C)=O)CC3=NN=N[NH]3,RXAHKRCOQRUQER-SECBINFHSA-N
-2D8772DEDB1C674E_B1A4F58269E594C0_6038_UN,COC(=O)C1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,ZYOMPLUZPFYJEE-UHFFFAOYSA-N
-2E0F6F52B0AE34EB_BEE407E9EDA988C6_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,LKLZFVDBMHYWFN-UHFFFAOYSA-N
-31618334CA13274F_C56FC33AFA091738_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,XPVNZKAIZHCIPI-UHFFFAOYSA-N
-323121D46EF8B97B_48164C10EC381E40_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C=CC(=C3)C)F)(=O)=O,WWQBFABRQDDCGA-UHFFFAOYSA-N
-32992D9048081FB1_E7B5FA85D09D46BF_6041_UN,C1(=NC(=NC=C1)C2CCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,CTMQYRYPEISJNM-AWEZNQCLSA-N
-32E42217A21FB28B_C409FE9F7F59A416_6041_UN,CC3=C(C)C1=C(N=CN=C1NCCC2=CC=C(C=C2)[S](=O)(=O)F)[N]3C4CCCC4,WWXXYFDEVKPDSZ-UHFFFAOYSA-N
-330664474B18ED50_8202C4B1CF66AD46_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C(C(C)C)[N]3C=NN=C3)=O,FWOPAUXNJQQDSJ-VYRBHSGPSA-N
-341BDF74973DC02F_1D14A79B68BE180F_6036_UN,C(C1=CC(=C(Br)S1)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,NOIARORWWYXOEY-UHFFFAOYSA-N
-37A1A325CABE2B6A_98C59B64911E9049_6038_UN,N(CC1=CC(=CC=C1)C2=NC(=NO2)C3=CC=NC=C3)C(C(O)O)=O,DBHJUAQFLYLGAM-UHFFFAOYSA-N
-3899A30F77C9966C_A9D11105FDF8DD2A_6036_UN,C(C1=CC(=C(C=C1)N2CCCCC2)F)N([S](C)(=O)=O)C3=C4C(=CC=C3)CNCC4,GNXGQXCLVCYICX-UHFFFAOYSA-N
-3A1B1C2AC527BA3B_2C3EAAE5FA725A4E_6028_UN,C1CN(CCN(C1)C2=NN=CC=C2)[S](C3=NC(=NC4=C3C=C(C)C=C4)C5=C(C=CC=C5)C)(=O)=O,DQMGQJSTTPTODV-UHFFFAOYSA-N
-3B9AC7805E753AC7_9588C071C3AD8A92_6029_UN,CC1CN(CCN1[S](C3=CC2=C(N=C(Cl)S2)N=C3)(=O)=O)C4=CC=NC=C4,GLJLZLIHZSMVCM-UHFFFAOYSA-N
-3C0C50C1FFCA118A_CC7A4F5746E33FF3_6043_UN,C1(=CN=C(C=C1)C2CC2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,IJWOVHAKBPBNKK-UHFFFAOYSA-N
-3D72F8D46F89FF4D_013B324D3A44E18C_6036_UN,C(C1=C(C=C(C=N1)Br)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,BGEDFQGOBGFPAK-UHFFFAOYSA-N
-3DA2A7CB65FECBA2_2C1CF626740A74AD_7015_UN,C1C=C(CN1[S](C3=CC2=C(N=C(C)C=C2)C=C3)(=O)=O)C4=CC=CC=C4,KUNYOQWEUFGDHQ-UHFFFAOYSA-N
-3F1A294F4C01418F_90DCA0911F1251AA_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(Cl)C=C3)CC4,VBFRFWBJWLBMBI-UHFFFAOYSA-N
-402FA66FBFE9A0D1_CBFDB2A8ACA3A035_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(OC)C=C2)C3=CC=CC=C3)=O,GCSLXFZSSORZMD-UHFFFAOYSA-N
-416A416B24BA31BC_495A105ACF89510C_6006_UN,O=[N](=O)C1=CC(=C(N=C1)C2=CC=C(C=C2)C3(O)CCC3)C4=CC=CC=C4,MXATVEONHFLHSQ-UHFFFAOYSA-N
-432137E3341B1327_8DD0118FD6431F72_6029_UN,C1CN(CCN1[S](C2=CC3=C(N=C2)[NH]C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,MQNUILUCSHTFPG-UHFFFAOYSA-N
-43EBB7D89E29C1BD_F1BA3E68D885285D_6038_UN,N(C1=CC2=C(N=C1)[NH]N=C2)C(C3=C(CC(C)C)C=CC=C3)=O,OABVQEDDXNUDAP-UHFFFAOYSA-N
-44D3AF7AB3F303AD_CB51AAEF635F7690_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C3=NOC(C)(C)C3)=O,CDPQXTSRLYLEFE-UHFFFAOYSA-N
-44E409656D54A367_0D4252DEDA4A22C7_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CCC4,HGJLBKQZHOYIIM-UHFFFAOYSA-N
-454E084D2324DB26_33AFD4A70D812E29_6036_UN,C(C1=C(C=NC(=C1)F)F)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,XDWFLVRFXPGUNJ-UHFFFAOYSA-N
-45C09589FC155DE8_25FD4E9B689D3161_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C5=C4C=CN=CC4=CC=C5,SYKKCNVRRXLMCN-UHFFFAOYSA-N
-462FF361A2AEBC32_83345E563F95735F_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C)C=C3)CC4,LNGYICVCFVMFNX-UHFFFAOYSA-N
-46EED03DF1FA52F3_D903765177BA4DDB_6038_UN,N(C1=CC(=CC=C1)C[N]2C=NC=N2)C(=O)C3=CC4=C(N=C3)CC[S](=O)(=O)C4,CQPFUAGHKNWENS-UHFFFAOYSA-N
-4728676B5D6D3F3B_2FBE520A5F9FCFFD_6029_UN,C1CN(CCN1[S](C3=C2C=NC=C[N]2C(=C3)C)(=O)=O)C4=NC(=CS4)C5=CC=CS5,WGWDCBFLKVFIRJ-UHFFFAOYSA-N
-478194C8BD77D826_5E0226A3E76A8262_6026_UN,[S](=O)(=O)(C1=C2C(=CC=C1)C=NC=C2)N3CC(C3)OC4=NC=CC=N4,XQGSCRBLTIPNOP-UHFFFAOYSA-N
-48406B1676F0955B_FB3524CC235C9F1A_6031_UN,CC1=N[N](C(=N1)C)CC(=O)OCC2=CN=C(N(C)C)C=C2,FZEDSGBBVOVGPK-UHFFFAOYSA-N
-49E4BA964EEE48E0_CAB189B4C8D0DF99_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C[S](C)=O)C=CC=C3,NAEAPOWYINOISO-UHFFFAOYSA-N
-4A0C58E6E4242F59_3F4D9A45F008E7F5_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)Cl)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,SPIVFOZOIDYDHN-IYARVYRRSA-N
-4B3F1E23476EE235_259DE6B09E4DD86D_6041_UN,SC1=NN=N[N]1C2=CC=C(C=C2)NC4CC(N(C3=C[N](C)N=C3)C4)=O,LGDQXHGXWJVUDG-UHFFFAOYSA-N
-4BABC52D49325944_906BDABE914EB7D0_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCC)C(=C2)Cl)OCC,IKEYDKDBHCDRDM-UHFFFAOYSA-N
-4DA9300A0C34C7BE_1E0F008C4B790784_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,ATWQXOSWFBHGDD-UHFFFAOYSA-N
-4ECA919B2BE153B6_852A97CE213DB80A_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2N[C@H]3C4=C([C@H](C3)C(=O)O)C=CC=C4,JFEDDAFGYIUOHO-NWDGAFQWSA-N
-4F12DFAAD6A0487B_AC99493C4675E4DA_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CC([S](C)(=O)=O)CC4,PFQGKJDHAXXJMM-UHFFFAOYSA-N
-50EBAE10206F3DD0_44260334EB5542A2_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCCC5,SPFNYMRLEKNBGC-UHFFFAOYSA-N
-515B5DB8094A770C_EDFBE3CAE8AEC15E_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C[N]3C)CC4,FHCWVNRDJHBHSU-UHFFFAOYSA-N
-52565DBE9C08C762_F62E91D7E824248C_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N5C[C@@H](OC4=C(N3CCCC3)N=CC=C4)CC5,SPLXUTYGBJUMJL-KRWDZBQOSA-N
-52AED62EC75EAB7C_21CD638BF2E9D8EE_6038_UN,N(C(CC1=NN=C[NH]1)C2=CC=CC=C2)C(C3=N[N](CO)C=C3)=O,SZKVKDLHMODPSK-UHFFFAOYSA-N
-52E3BC5948B143E3_D8EEB78426D3D25E_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)N4CCCC4=O)F,XWFSWKFXHYZOCF-UHFFFAOYSA-N
-5328F2CC61D26AAA_7848653349F1009C_6038_DP,CC(OC(C1=C(C)[N](N=C1)C2=NNC(C=C2)=O)=O)CCO,LXBOAGFWGNIAPU-UHFFFAOYSA-N
-554559419906DA96_0EEF69E00E2BACE9_6029_UN,C1N(CCC(C1)[N]2C3=C(N=C2)C=CC=N3)[S](C5=CC=C(C4(O)CC4)C=C5)(=O)=O,LANNZPSTHUJHRY-UHFFFAOYSA-N
-5645260E48C3B627_8BF4BAE206E53EA2_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4=CC=C(C3(C(OC)=O)CC3)C=C4,VAYRMQKFPCRXAJ-UHFFFAOYSA-N
-56EF1B97C9EDEC78_851FBB2712C24C82_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=C(C)[N](C(=C3)C)C4CC4,KBRNMPRVGYKOAB-UHFFFAOYSA-N
-57287656BAC616C3_BE38CAE1DB24F311_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NC3C(OC(C)(C3)C)=O,YRPWZTOFPUPXPP-UHFFFAOYSA-N
-5B950D8F6779FE40_CA004DDBEA072407_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CN([S](C)(=O)=O)CC4,IUGOYPWACFUPOX-UHFFFAOYSA-N
-5C4ADAD99027CDC3_F3273467AB5CFDCB_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(OC)C=C3)N4CC(C)(C)C4=O,RODSIAXBZRNJKK-UHFFFAOYSA-N
-5CF7993867C5743E_5F1314E638E6E65D_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=N[N]3C)CCC4,TWPZSRRNDFZAKT-UHFFFAOYSA-N
-5D16800DD7BB518B_BC450080EF36EF32_6029_UN,C1C=C(CN1[S](C2=C(C=CC=C2)N3CCCCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,WGASSIFANLCPKQ-UHFFFAOYSA-N
-5F22AFF88D91B152_5AF8D0B3046C205D_6041_UN,OC(=O)C1=CC(=NC(=C1)NCC(C2=C(C=C(C)C=C2)C)(C)C)N4CC[N]3C=CN=C3C4,AZIFGEKKAJUTHI-UHFFFAOYSA-N
-5F7F1AE12293F217_950EB5F957BA5895_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)[S](=O)(=O)N5CCCCC5,AOOYEMOMMCUTGS-UHFFFAOYSA-N
-62197D0E573C1621_03476D9F43B16198_6038_UN,N(CC(C1=NN=C[NH]1)C2=CC=CC=C2)C(C4=CC3=C(COB3O)C=C4)=O,AXYXNGJMDMXRTH-UHFFFAOYSA-N
-627A7553F6CD3F36_D0C45624EF36F29E_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3(C(OC)=O)CC(C3)(C)C,ZPNRTJRUDZRQND-UHFFFAOYSA-N
-6329E3C128BD568E_E2C11032E466012B_6038_UN,N(C1=C(C(=CC=C1)F)C2=N[NH]C=N2)C(C(NO)CC3=CC=CC=C3)=O,BZHAGVMNPNRKPH-UHFFFAOYSA-N
-66D5916C438E752F_CD62A0D4C7A90322_6041_DP,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4C5(C(O)C4)CCOCC5,IUBXMNSGIRUXEY-UHFFFAOYSA-N
-6752701B219EA29E_E089C04BB3FF5E4E_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,CYBQMSRHSFMODF-UHFFFAOYSA-N
-67928D95AE6B5A1B_E6B616A5E1DF11E7_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)N5CCCC[S]5(=O)=O,JSJOAYZHSFPUJL-UHFFFAOYSA-N
-6809F86A64EF22F7_A8557DE32B995F56_6038_UN,CC(NC(=O)C1=CN=C(N=C1)N2CCOCC2)CC3=CN=CC=C3,NSJLWEROVFTUDO-UHFFFAOYSA-N
-686827F63E22B714_03C172F39D8D461D_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=N[N](C)C=C3)CC4,BXEQAMBHJRSNAV-UHFFFAOYSA-N
-68D82F8BE833DB3D_9FD4048887B2E663_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)[CH]=[C]3CC[CH2]CC3,QVMGGGDGVOTQHQ-UHFFFAOYSA-N
-6912B22E0FAD7424_CC029EEE67DAEA33_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,JIFHQIYGPAXCAT-UHFFFAOYSA-N
-6919BEC922D7358F_33C3FC820F6553F6_6038_UN,CC(CNC(=O)C#CC1=CC2=C(C=C1)OCO2)C3=NN=N[NH]3,BTUGCTOQIXIQDD-UHFFFAOYSA-N
-6AF2C909761E8017_87163976A918D6FE_6029_UN,C1CN(CCN1[S](C2=CC3=C(N=C2)SC=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,CUFVUZILHRDLDA-UHFFFAOYSA-N
-6B2B1BEC861E266D_EC795812ADC7E27C_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(N=C2)C3CCC3)(=O)=O)C4=CC=CC=C4,UCXLUVQAFJTJNV-UHFFFAOYSA-N
-6BA1CA7FD84CDDC3_BF00B5324C64C9D4_6041_UN,OC(=O)C1=C(N=CC=N1)NC2=CC=CC(=C2C)N3CCOC3=O,OVJGRRKXZCOITH-UHFFFAOYSA-N
-6D18EECE44752FB9_3ADE3A29240EFFE8_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC(=C(C)C=C3)C)(=O)=O,ZEMOOGULAHSIDF-UHFFFAOYSA-N
-6DB905EC58E0D307_F7C635CC03F455C1_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(C)CC[S](CC4)(=O)=O,PHZNQIBCRIMTFA-UHFFFAOYSA-N
-6DE45E2304282B28_F2735C4DEB1427C8_6029_UN,C1CN(CCN1[S](C3=CC=C(C(O)C2=CC=NS2)C=C3)(=O)=O)C4=NN=CC=C4,IEOYQFYNHWALJJ-UHFFFAOYSA-N
-6E55963DD8545B7B_5C33B6A7338B66FF_6038_UN,CC3=C(OC(=O)C1=CN=C(S1)C2=CN=CC=C2)COC3=O,NXPJZWOSVVDYQI-UHFFFAOYSA-N
-6E6F314B56B39CCE_E28914E95BFC5A6E_6036_UN,C(C1=C(C=C(C=N1)Br)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,NUMJXMCKVULLMY-UHFFFAOYSA-N
-6E9C722B7C02CE3A_EAC462F3CFC01AFC_6029_UN,FC1=CC(=CC=C1)C2CN(C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,MMWSAKFGEXEMDB-UHFFFAOYSA-N
-6F7C65BFE6C8D7CF_EC8179612CE33D78_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@H]4C[S](C4(C)C)(=O)=O,POZTVRWPXBISCQ-LBPRGKRZSA-N
-71C4FF12B4465EA0_1863DEF0A94EC3CC_6029_UN,CC1=C(C=CC=C1)C(O)C2CCN(CC2)[S](C4=C3OCCCC3=CC=C4)(=O)=O,RSGRTSKGYFDAJA-UHFFFAOYSA-N
-71FFA9F6F1C8D5C7_8BDDFDF0FCD04D25_6041_DP,OC(=O)C[N]1C=NC(=C1)NC(C[N]2C3=C(C=C2)C=CC=N3)C(=O)O,KTYMXOYCHYHORW-UHFFFAOYSA-N
-726A9F0F5492F7C4_5F1F1F1EA147F0D6_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CN=C([S](C)(=O)=O)C=C4,CHISMOUDOOBIOS-UHFFFAOYSA-N
-75208D315FA70AE8_B0158BE61B5C7AE7_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C4=CC5=C(N=C4)OCO5)(=O)=O,MIGIIVAICXGKCI-UHFFFAOYSA-N
-7531562C621E4427_A24E45F4C795E6B2_6029_UN,C1CC(CCN1[S](C2=CC(=CS2)C3=CN=CC=C3)(=O)=O)C4=CSC=C4,ZCRQJPFOCZXXER-UHFFFAOYSA-N
-754B7958F43224E2_12FE8C05247C658F_6038_UN,CCC(NC(C1=CC(=C(OCC(OC)=O)C(=C1)C)C)=O)C2=NN=N[NH]2,IOWASYAIYPWCEH-UHFFFAOYSA-N
-755F0E7B8E0F28AA_5784CE6D88D58E01_6029_UN,C1C=C(CN1[S](C2=C(C=NC=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,MTIHIHNUDHMCDJ-UHFFFAOYSA-N
-771FA8F97E6E621C_5FC61133F950980D_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C(OC)=O)C(=CC=C3)C,BPXICMQAQHIBSA-UHFFFAOYSA-N
-77352B015A9A7665_1800B83B7332D06A_6038_UN,CC3=C(OC(=O)C1=CN=C(S1)C2=CC=NC=C2)COC3=O,HIQIVFYIZUTHBA-UHFFFAOYSA-N
-78CC6E50C760A9C9_05C6297023729CFC_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,LZLHTPKWQUHFAJ-UHFFFAOYSA-N
-7B618B885C1734A8_17817A936C71C661_6038_UN,COC(=O)CC[N]1N=C(C)C(=C1C)NC(C2=CC=C(C(OC)=O)[NH]2)=O,JSZCVWUPCRZTLU-UHFFFAOYSA-N
-7BFB8484ACF08771_7CD7797AC397C683_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4,FCSALWSCZZJNKY-UHFFFAOYSA-N
-7C31EEAF70E31810_8E274C0AE4A7D7D6_6038_UN,O(C1=CC=[N](C=C1)=O)C(C2=NN(C(C)C)C(CC2)=O)=O,KMMVHWZTMMFAMS-UHFFFAOYSA-N
-7D9C8575C6861F75_6C4356AD3C486D17_6038_UN,O(C1=C[N](=CC=C1)=O)C(C2=NN(C(C)C)C(CC2)=O)=O,UTRWPDOZXZKXHB-UHFFFAOYSA-N
-7E803F5534AE5349_B80DD1F92E65530F_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)[S](C)(=O)=O,SHUHRSSXJDTBDI-UHFFFAOYSA-N
-81E63EA5C0AEAC11_90F8A891509E918E_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4[S](CC4)(=O)=O,TUHYOZXWAYLMBP-UHFFFAOYSA-N
-82703E153DF6DD4F_E8187906AC59B7D1_6043_UN,C1(=CN=C(C=C1)C2CCC2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,BPTHUFKRMCTVFE-UHFFFAOYSA-N
-82974BA4C67F432A_49158085DE9E4BCA_6038_UN,CC3=C(OC(=O)C1=C(C=CS1)[N]2C=CN=N2)COC3=O,XXWNUHJLNHRSGJ-UHFFFAOYSA-N
-82E54FCB623FD950_4B859E403DF03EF7_6006_UN,C[S](=O)(=O)C1=NC(=CC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)C4CC4,DBQPSEXUWYKTQA-UHFFFAOYSA-N
-8329370A4C01BBAA_8F731898F5793412_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NN=CC=C4,NZVZSHYTXHHRIB-UHFFFAOYSA-N
-8359F1B2CF8C2556_5959900E7990DDBC_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,MIXCKNODTPGZSF-UHFFFAOYSA-N
-8388DBDCCA7BE73E_ADE313FF94818758_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=CC(=C4)[S](C)(=O)=O,INOSKKCPGQGWBQ-UHFFFAOYSA-N
-83A819048B70EB7E_521DF1143EA078A7_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C=C(C(C)C)C=C3C)C,SCGIKQQPEIEXDG-UHFFFAOYSA-N
-85BE21630B0DAA03_C5AA0A8D0141618F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4CCN([S](C)(=O)=O)CC4,BGRXAAGNEXABOD-UHFFFAOYSA-N
-85D3795681EAC793_0B91819ED466C783_6006_UN,O=[N](=O)C1=CC(=C(N=C1)C2=CC(=CC=C2)C3(O)CCC3)C4=CC=CC=C4,CBSFUXCTCNHVLG-UHFFFAOYSA-N
-87D2049EF3B65075_9236D687419351B3_6005_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)C3=C(OC)C(=CC=C3)O,VPZZLHWIBLKGQT-UHFFFAOYSA-N
-884C46767C4A3799_BA30CAAFF8CB6AF7_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(C3=NC=CC(=C3)C)CC4,MIZYJXFAGMDXHT-UHFFFAOYSA-N
-894FA16D3A9F0FD7_57FFEFB96E5658D1_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)N4CC(C)(C)C4=O,DBDPBONHXLFWEK-UHFFFAOYSA-N
-8B0F1A6B2704AE86_F71BD2D43D985738_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=N[N](C)C=C3)CC4,CEQSPCZIQVQLEE-UHFFFAOYSA-N
-8B9945648EF55905_6D8AFC9C1F85E27C_6038_UN,CC4(C)CC(NC(C2=C([N]1N=CN=C1N=C2C)C)=O)C3=C(C=CC=C3)O4,LZLKCLJKOCJHON-UHFFFAOYSA-N
-8D7C2A939810A5B1_36C3907194E5ED81_6028_UN,C1C(CN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NOC=N5,XJPSIHVWXMGZJO-UHFFFAOYSA-N
-8F2CC56AF0273DE9_6E43EF5B464E4094_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CC)C(=N1)C)(=O)=O,LWOGHYWKXIYJDG-UHFFFAOYSA-N
-925C0B40A0357E43_FE51DB8BF77B0AEB_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3(C(OC)=O)CC(C3)(C)C,RADIIDGHGZWEKG-UHFFFAOYSA-N
-926689BEDC4C54BD_27A74AB15897730D_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2=CSC(=N2)C3=NN=C[NH]3)N4CCCC4=O,MPBKIEXWORDIQF-UHFFFAOYSA-N
-926BF1E2D3D499C3_8BCD2A2B118D530A_6038_UN,CC3(C)CC(NC(C1=CN=N[N]1C)=O)C2=C(C=CC=C2)O3,GLEXOOIKVHIPDF-UHFFFAOYSA-N
-935D01604108EC80_9006E15169F05AE3_6038_UN,CCC2=CN=C(COC(CN1C(CN(C)C1=O)=O)=O)S2,WJQOEXMHPLNHTR-UHFFFAOYSA-N
-935D4CAE09E430BA_DB3615E7F6395BAB_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CN([S](C)(=O)=O)CC3,BJMXLLBRBDVBHC-UHFFFAOYSA-N
-93A84BF492696500_0B0E7F7F20D1E08E_6029_UN,C1N(CC=C(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=CC=CC(=C4)C5(O)CC5)(=O)=O,BQKHXMUUQOZRMO-UHFFFAOYSA-N
-94688F85F0C6FD75_183F719AB56C936B_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3(C)CCO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,WSUSVSJQJXAIJZ-UHFFFAOYSA-N
-94AE670DF27F0ACD_0CDD8746755A3A25_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC3=CC=C([S](C)(=O)=O)C=C3,KLRRUYALXNUDDE-UHFFFAOYSA-N
-962884BA792219EB_F1E0C7357450D12C_6031_UN,CC(C)C1=NN=N[N]1CC(=O)OCC2=C(N(C)C)N=CC=C2,LEDRHEVKWKYMQB-UHFFFAOYSA-N
-9A4F32DF9817E45D_8082E196508FE773_6041_UN,C1(=CC(=NC=C1)C(=O)N2CCCC2)NC3=CC(=NC4=C3C=CC=C4)CC,PNUNPALCOFYRBF-UHFFFAOYSA-N
-9AE6FB83C14699CE_1EC1EED8A408C4A8_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2C3=CC(=O)N(C(=C3)C)C4CC4,MNVATSAEOVGPMO-UHFFFAOYSA-N
-9BB70E71C0BBAFAE_ED3059FE9E0CC398_6038_UN,CC(OC(=O)CC1=N[NH]C2=C1C=CC=C2)C3=NC=N[N]3C,RCHHMWGEVIPUOY-UHFFFAOYSA-N
-9C316EE7F7AC17D3_B00A6D5696FD63BB_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCCN(C3=N[N](C)C=C3)C4=O,BTOPOHODHIDIJU-UHFFFAOYSA-N
-9C7CC632A08F4A42_186FE1F6AF105D79_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=N[N]3C)CC4,UWGPOFDTSBKYOT-UHFFFAOYSA-N
-9D60EF2B22A31FBF_C074ECE71AA7221F_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(C)N(CC4)C5=CC=NC=C5,YQGWRPPLKRMMGD-UHFFFAOYSA-N
-9D6B4A0490CA2A8F_7151458E64CAC36C_6038_UN,OB1OCC2=C(C=CC=C12)OC(C(C(C)C)[N]3C=NN=C3)=O,MHAQMKAUPSWHKN-UHFFFAOYSA-N
-9D70C7F1B2BA4E74_00FB293187D65408_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C(C[Si](C)(C)C)C=CC=C3)(=O)=O,ATHMAZKRCUOURW-UHFFFAOYSA-N
-9E94358936CFF22D_276EB7CEBF98CD66_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CN=C(N=C3)N4CCCC4)(=O)=O)C5=CSC=N5,DDBUJGAGMOOKRI-UHFFFAOYSA-N
-9F4076C3F0266843_A077CBBE0B5B3915_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,FNOCZYRIOBUAFP-UHFFFAOYSA-N
-A02DEA3AF66E27BF_CF8061F9550E5D1B_6038_UN,CC(C)C1=C(C=CC=N1)NC(=O)C2=C(C3=C(N=C2)C=CC=C3)N4CCCC4,YWHYYQLLIUHRCP-UHFFFAOYSA-N
-A038F5DE7C603CB9_99055E1FC544A2FD_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3(C(OC)=O)CC(C3)C,UWSZPCWSARFIQF-UHFFFAOYSA-N
-A041C3BFE9835B4A_C655742DBA1806B3_6038_UN,CN1CCC(CC1)[N]2N=CC(=C2)NC(=O)C3=N[NH]C=C3C4=CC=CC=C4,YRRZPGHPQSQTDR-UHFFFAOYSA-N
-A25637D82A4E0FAD_7DE8B4AED610A29A_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC=C(C)C=C3)(=O)=O,PFWLMEINMXNWJH-UHFFFAOYSA-N
-A29D5817F74C7128_843419C074975EEA_6036_UN,C(C1=C(N=CC(=C1)C#N)Cl)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,HFUXICOYFDUNIZ-UHFFFAOYSA-N
-A49EA811C9866275_649654524B25F7C8_6028_UN,C1CN(CCN1[S](C2=CC(=NC=N2)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,UHOLYYNIKVHYNA-UHFFFAOYSA-N
-AA47F5D37649CA0D_3CB2C8A1ABAC1580_6029_UN,C1CN(CCN1[S](C3=C2N=NSC2=CC=C3)(=O)=O)C5=C4C=CSC4=CC=N5,XOIXVTLOUHUSLF-UHFFFAOYSA-N
-AA51800A2979A1C2_0A6ECADA403AEEA3_6004_UN,CC1=C(C2=C(C=N1)C=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,SSXPGUHKQAYQAR-UHFFFAOYSA-N
-AAEB485D368919E9_C5911D6D2735B962_6041_UN,CC2=CC1=NC=N[N]1C(=C2)NC4=C(C(C)=O)C=C3OCOC3=C4,NVAJVPBSCCUZRQ-UHFFFAOYSA-N
-ABFAF0DFAE4C8DB5_86F92F0FC5157B4A_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)OC)C)OC,IHRXDVHQJLWHOP-UHFFFAOYSA-N
-ADE53D900AEB61A0_B165DA00831DB607_6038_UN,C[N]1N=NC2=C1C=CC(=C2)OC(C3=NN(C(C)C)C(CC3)=O)=O,PVLDJODVTAWUDR-UHFFFAOYSA-N
-AF4B9BAE450ACA29_483A1557A61A0102_6038_UN,CCCC(NC(C1=CC(=C(C(OC)=O)O1)C)=O)C2=NN=N[NH]2,ZAHRKRJWZNDGBO-UHFFFAOYSA-N
-AFE88CBB3E5FDB69_2B3DF275DA4EDE17_6038_UN,COCC(NC(C1=CC(=C(C(OC)=O)O1)C)=O)C2=NN=N[NH]2,XFEYTXILUFBVKU-UHFFFAOYSA-N
-B20B834B06ABEE94_38AC7B834236DB41_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,RENIAPLFAQDGHL-UHFFFAOYSA-N
-B23849508C8F2B2F_94671EC3FCB12434_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=C([NH]N=C3)C4CCC4)(=O)=O,CJTGGZGXDPJSTB-UHFFFAOYSA-N
-B45E06FE0E328875_AEA5B6CD5719CE9A_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C5=C4C=CSC4=CC=N5,FPDBFYGHEUGHPP-UHFFFAOYSA-N
-B535C89150C81634_A63DD4A7D626D046_6039_UN,CC(C)(COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)C#N,HAFUKEIOWSJVKD-UHFFFAOYSA-N
-B5AFE746E4AC25F3_3C530438DFC0F7E4_6041_UN,OC(=O)C2=N[N]1C=CC=NC1=C2NC3=CC=CC(=C3C)N4CCOC4=O,SBFNVUPUFBTGHQ-UHFFFAOYSA-N
-B6C58F6F58AC4FE6_F4B85BCC0C1276CF_6043_UN,C1(=C(C=CC=C1)C2CCC2)N[S](C3=C(C)C=CC=C3C)(=O)=O,FKBQDDNXINDWSJ-UHFFFAOYSA-N
-B994602660C69840_427F31BDBFFAA800_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C(CC)[N]3N=C(N=N3)C4=CSC=C4)=O,VYZPOYGHNRWZPF-UHFFFAOYSA-N
-B9AEFDC3548F4AF5_29218E1014190BB3_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CSC(=C3)C(OC)=O,WDWVAYMEPKMXPO-UHFFFAOYSA-N
-B9C376682F4A49FB_D1698F0C29E9B6E1_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(Cl)C=C3)CC4,XGRUQKPHKQPDOE-UHFFFAOYSA-N
-BA8AC44896B60B1D_F36233B0574278B4_6038_UN,CCOC(=O)C(NC(CC1=C(C=C(C(OC)=O)C=C1)C)=O)C2=NN=N[NH]2,LYUSLEYJPPLHQX-UHFFFAOYSA-N
-BB783722A7E4DA89_059E1DD0987A3BE7_6029_UN,N(CC1=C(N=CC=C1)[N]2C=CC=N2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,LLDQMZJBNPXRNQ-UHFFFAOYSA-N
-BCA7F38114B39460_6537DA4EE4DE9AB0_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC(C(C(OC)=O)(C)C)(C)C,RWDCEIJCYPITNH-UHFFFAOYSA-N
-BE6E12A6B03BAAC5_E280C27DA629E6C1_6029_DP,OC1=NC(=CC=C1)CCN[S](C2=C(C=CC=C2)C3CCC3)(=O)=O,HLDBWPSXCGECIX-UHFFFAOYSA-N
-BF812C2FD2156DA9_8434BB79EA884F3E_6038_UN,CC3=C(OC(=O)C1=CN=C(S1)C2=NC=CC=C2)COC3=O,GIWIADDDUHOOMG-UHFFFAOYSA-N
-C60DDD2F662DC0E6_A6D951DDE22CF4FF_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC4(C)COC3=C(C=CC=C3)O4,YMDKESRQMUNDMP-UHFFFAOYSA-N
-C67FAC8884443E14_626F32F56EFF705E_6035_UN,O(C(C1=CC=CS1)C2=NC=C[NH]2)C4=CC(=C3C(COC3=C4)=O)C,PZEKFRYJWUISOD-UHFFFAOYSA-N
-C9C0196480818D56_6A6B32A9B6221BF3_6029_UN,CN1CCN(CC1)C5=NC2=C(C=C(C=C2)N[S](C3=C(F)C=CC4=C3OCO4)(=O)=O)S5,IUYWKYLZSROAFM-UHFFFAOYSA-N
-CC6DC91D496B2800_C165F902B0A9672A_6038_UN,N(C1=CC2=C(N=C1)[NH]N=C2)C(C3=CC=C(CC(C)C)C=C3)=O,GJJYEWOHRQBVFR-UHFFFAOYSA-N
-CD7414D9E08B0790_0B2EA368E00944AD_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=C(C)C=CC=C3C)(=O)=O,UYWVYASSTMCPBX-UHFFFAOYSA-N
-CEB07B99704C5A4F_DD02C7B64C4AF9CD_6038_UN,CC1=CC(=C(C=C1)C)SC(C3C[N]2C(=NN=C2C)C3)=O,SSHYNRXXZQVJTH-UHFFFAOYSA-N
-CED2BA391AAC2171_13A879A7564A2D72_6038_UN,C[N]1C=NN=C1C2=C(C=CC=C2)NC(C3(ON=C(C(C)C)C3)C)=O,CWBUEWNCWKTZJL-UHFFFAOYSA-N
-CEEA4C9599EA656B_99703A967DC4B67A_6041_UN,C2(=NC1=C(C=CC=C1)[N]3C=NC=C23)NC(C)C4=CC=N[N]4C,PKZLLIRWJNVVKT-UHFFFAOYSA-N
-CF9E016DA7356B90_5484DD58C0E79E24_6036_UN,CC1=C(C=C(C(=N1)Cl)CN([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3)Br,IPEOAPMIPUHJQC-UHFFFAOYSA-N
-D12D8A110C85E623_5CF4275FE37CF7E9_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC(=NC=C4)[S](C)(=O)=O,QYCWNBRPHZXNLN-UHFFFAOYSA-N
-D1A02D2F2AAECBA4_A64A2B786433D4BB_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,CNGUOEUWLASJMG-UHFFFAOYSA-N
-D24A522B18AB6D94_C154D5863AA05215_6028_UN,C2CC1=C(N=CN=C1)CCN2[S](C3=NC(=CS3)C4=CC=CC=C4)(=O)=O,BCDBTUIKTOLLEA-UHFFFAOYSA-N
-D2E88DAC39F45C3B_299F939323C4791C_6041_UN,CC[N]1C=NC2=C1N=CN=C2N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,RUCNESDIANSBLA-OPDBYXPDSA-N
-D352B209112FAB1E_4AF1DD181BA32481_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CN=C([S](C)(=O)=O)C=C4,DPLQLMLPSXKWBP-UHFFFAOYSA-N
-D44448A8C7AA6012_6A0D7B0F2AB0B6BF_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C(C(C)C)C3=N[NH]C=N3)=O,NBIYHXSREYYNQI-UHFFFAOYSA-N
-D469424F85BAD16A_C0136A0BC07588B5_6029_UN,OC1(CCN(CC1)[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)CC#C,CXUCLJSCRYCSOV-UHFFFAOYSA-N
-D5C33BE44F42F118_72F862032FDA7B72_6038_UN,CN1C(O[C@@H](C1)CNC(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O)=O,ZZSGHWMIDNIFES-SECBINFHSA-N
-D7B3EBD9A9E42B78_CE9E2D33AC332D04_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4C[S](CC4)=O,QFDXBRRYTKRHPZ-UHFFFAOYSA-N
-D8AAB4456A454D86_F0A253977C093D71_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C)C=C4)N5CCC[S]5(=O)=O,YHHPGOAYPCXFDB-UHFFFAOYSA-N
-D931F740CD528DA3_FAD838E9D4AD38B7_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NCC2(CCCCC2)C3=CC=CS3,JLWZGVDLTIGOMM-UHFFFAOYSA-N
-DADDEB42DB2324EA_19EEA3495587C956_6038_UN,CC1=C(N=C(C=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,NEPRVLPSQSSMBR-UHFFFAOYSA-N
-DC98583453FA18E3_E4315A8DD17274DC_6038_UN,CN4CCCC(OC(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)C4=O,QFBJSUSDYKAUHQ-UHFFFAOYSA-N
-DD5F85FCA8C8F4EC_C812E017ED11A926_6038_UN,CC1=NN=C(C=C1)COC(C3=NN(C2=C(C=C(C)C=C2)C)C(C3)=O)=O,IMKSRORYJSHONE-UHFFFAOYSA-N
-DE867C39CF1F4BF6_94FBFC640CE7E557_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(=O)C(CC3=CC=CC=C3)[N]4C=NN=N4,XUSZMPXNCMHRSK-UHFFFAOYSA-N
-DEFD6FB0FA8DC10E_236DA6B40F566F0F_6039_UN,CC(F)(F)CCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,QTGQKHHQWCLIKN-UHFFFAOYSA-N
-DF5CD004C9E59AD6_A392D248B91B7780_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=NC=N2)(=O)=O)C3=CC(=C(C=C3)C)C,UKNGQECZOSUNBZ-UHFFFAOYSA-N
-E065F12BE69A479E_B857A3212D0EC988_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C([S](C)=O)C=CC=C3,MJYVPHKUUORKIX-UHFFFAOYSA-N
-E167EA5F1A8F050B_44963A23FED5B960_6034_UN,C1CCN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=C(C=C4)[N](=O)=O)Cl,OTYPCYRVUWMZJL-UHFFFAOYSA-N
-E1E7A407C30AF712_E9F940DB18ECF243_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C(C(C)(C)C)=O,FWIQOWRXJBRGAD-UHFFFAOYSA-N
-E311A2B7FD5AFCB3_A493F62297F30CCE_6028_UN,N(C(C1CCCCC1)C2=CN=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ASRYPMRHKNAGQJ-UHFFFAOYSA-N
-E70B8673B6BC9438_D942E6723A24CED3_6038_UN,C[N]1C=NC(=N1)C2=CC=C(C=C2)OC(C3=NN(C(C)C)C(CC3)=O)=O,UPRNVEYCVQINTF-UHFFFAOYSA-N
-E73E41B36D11636B_9079ED2E08F79F01_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CN=C(Cl)C=C3)CC4,PVFMSLHHZPRHNY-UHFFFAOYSA-N
-E80AABE275228917_1EC6F8EB0D3EB21D_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C5ON=C(C4=C[N](C)N=C4)C5)=O,JXNMLKZCVOTGTH-UHFFFAOYSA-N
-E83EEDF32A71FCF2_011BFDF883A26644_6029_UN,N(C1=CN=C(N=C1)C2=NC=CC=N2)[S](C4=C(C3(O)CCCCC3)C=CC=N4)(=O)=O,LIQODEPTMPQYCA-UHFFFAOYSA-N
-E862C431109A5268_DCCCF2F2ADED7AE5_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C(C)C)[N]3N=CC(=N3)N)=O,CLXNROIQRIDIOJ-UHFFFAOYSA-N
-E8BA9989A49751F4_8FEF6F45CA67936F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CC[S](C(C)(C4)C)(=O)=O,FMXKBVWWDMZFPK-UHFFFAOYSA-N
-E8FB88783E3692A4_92A70DA3E8C401CF_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=CC4=C3OC(C)(C)C4,MQNUZZYARUWCRR-UHFFFAOYSA-N
-E91BBBA01D1988C2_6E45905A5F042E1B_6036_UN,C(C1=CC(=NC(=C1)Br)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,CQGBCFQHASGEFZ-UHFFFAOYSA-N
-E924062A80BEF2D7_0A724F5F0D5690C6_6041_UN,OC(=O)C2=N[N]1C=CC=C(C1=C2)NC(C)CN3C(OCC3)=O,BRVCZSBYASVHTR-UHFFFAOYSA-N
-EEE96497E3F5D274_3A25623537ABCCD3_6041_UN,C1(=NC=NC(=C1)C2CCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,QZHPWNSSCABLFJ-UHFFFAOYSA-N
-EF27B46B783E538E_313760E2EF4A902E_6004_UN,CC1=CC=C(C=C1)C2=CC(=NC=C2)C3=CC=C(C=C3)C4(O)CCC4,CLJTZBGIXJNZJJ-UHFFFAOYSA-N
-EF9892CBA862966D_C06C3C9C92F66032_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=CC(=C4)C(C(C)C)=O,YBMNCYDIQWJPIT-UHFFFAOYSA-N
-F0341848B5A1B757_53B2336D4EF21457_6029_UN,C1CN(CCN1[S](C2=NC=CC(=C2)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,SHJWTXCYCJXFOH-UHFFFAOYSA-N
-F0FC9756923048F8_53AC69592A7557ED_6036_UN,C(C1=NC=C(C(=C1)Cl)Br)N([S](C)(=O)=O)C2=CC=C(C=C2)N3CCNCC3,QPCYPESMURHTOY-UHFFFAOYSA-N
-F1667F1F51721BF6_9811D0D79E4FF891_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C(C)C)[N]3C=NN=N3)=O,HXJRELMVPIKHKG-UHFFFAOYSA-N
-F1D86A8449F49E19_E478C37BA70DC518_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NC3=C(C)C=C(C=C3)C(=O)N4CCCC4,WOFLQILWXMTBGW-UHFFFAOYSA-N
-F279250F8219FE9C_0649897E77A685AB_6029_UN,C2CC1=C(C=CC=C1)[C@@H](N2[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O)C5=CC=CC=C5,SHFUNCZLOMFISW-VWLOTQADSA-N
-F4B2FCF8CF80E75F_35D0540649F94D67_6039_UN,CCOC(=O)C3=C(OCCN1C(CN(C)C1=O)=O)C2=C(C=CC=C2)C3=O,XTJXNQVRTJHNGV-UHFFFAOYSA-N
-F4BCA4512A0BFE17_5A296C8F25528C38_6038_UN,N(C1=CC(=CC=C1)C2=N[NH]N=C2)C(C3(C)COC(=O)OC3)=O,COQHKQSTNJUEDR-UHFFFAOYSA-N
-F4DA22DFC05361AE_C2426E06711A7743_6029_UN,C1C=C(CN1[S](C2=NC=C(C=C2)C3CC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,YVQCLFLOLMNMMX-UHFFFAOYSA-N
-F5569BFF981289C0_0A0306C7C9A628B7_6029_UN,C1CC(CN1[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O)C4=CC=CC=C4,HLATXDZUBCOXNY-UHFFFAOYSA-N
-F7617FFC4A137783_8E18FDCAC6A42666_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC(CC(OC)(C)C)C,OERVNLZDXMTXRB-UHFFFAOYSA-N
-F7A7B0F513A44F4E_60F192078CD19852_6038_UN,CC1=C(C=CC2=C1OCC2=O)OC(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,ONJGACJMSGIJFT-UHFFFAOYSA-N
-F83C595BD0DA6D44_A5BE979F18A9FF3A_6029_UN,N(CC1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,AVWMAGAJWBGNOQ-UHFFFAOYSA-N
-F9C4F8FFE7368A99_5E30386E45347693_6026_UN,CC(C)C[N]1C=C(C=N1)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3,NGZXFOZNYPCLON-UHFFFAOYSA-N
-FC204FCF79836625_9BFE8DED1BDE86BE_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2NC[C@@H]3[C@H](C(OC)=O)C3,QJBUWMKCUOKDDU-RKDXNWHRSA-N
-FC7521665AF89140_2261105B33ACB041_6038_UN,CC=C(C)COC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,DIUAHRYPLHIBRL-UHFFFAOYSA-N
-FDECFB7AB4606ADA_518025D20A7AC4A4_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)N4CCCC4=O)C,GMWKDQSBGUJESF-UHFFFAOYSA-N
-FED22321DC3ED57E_BD981847729EB8E3_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C)[N](N=N3)C4=N[N](C=C4)C)=O,OLQACEONJKHCKK-UHFFFAOYSA-N
-FFBC3D8F2E7A1312_1BEB001874626C4A_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NC4=CC3=C(C=N[N]3C(C)C)C=C4,CSFVNTPGJLIDRU-UHFFFAOYSA-N
-rxn:2:101841:149518,CC(NC1c2ccccc2OCC1N1CCOCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,KPTALVAIFQYPMS-UHFFFAOYSA-N
-rxn:2:102661:149518,CC(NCCC#Cc1cccc(N2CCCC2)c1)c1ccc(N2CCS(=O)(=O)CC2)cc1,LPLFBGCZIBTESB-UHFFFAOYSA-N
-rxn:2:109337:148822,CC(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1ccc(OC2CCCC2)cc1,UZSVTAMIZJPQNZ-UHFFFAOYSA-N
-rxn:2:119659:151752,CCc1c(C2CCC2)nn(C2CCCCC2)c1NC(C)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,ZAAQKDLPOMOIRC-UHFFFAOYSA-N
-rxn:2:133458:149518,CC(NCCC#Cc1cccc(N2CCCCC2)c1)c1ccc(N2CCS(=O)(=O)CC2)cc1,PTSWTOCUGUKOAC-UHFFFAOYSA-N
-rxn:2:134766:103302,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCC(C)CC2)cc1,QWUAIKTVZGKELV-UHFFFAOYSA-N
-rxn:2:66420:80541,CC(C)CC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1cccc(N2CCCCC2)c1,MDDNRWLGEXLBDI-UHFFFAOYSA-N
-rxn:2:84223:117066,CC(NC1CCC(Cc2nncn2C2CCCC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,IBAIVKVZMWGBPT-UHFFFAOYSA-M
-rxn:2:86318:162580,CCc1cc(N2CCCCC2)ccc1NC(CC)c1ccc(N2CCS(=O)(=O)CC2)nc1,BPPUWDIVLMZGCG-UHFFFAOYSA-N
-004E9FDA4DFE0B70_882B51700C8941C2_6038_UN,O(CCCN1CC(=O)NC1=O)C(C=CC2=C(OC)C=CC=C2)=O,LBUJUGKWTJHWBF-UHFFFAOYSA-N
-00A2E694CC67EA76_669CB143565B5294_2201_UN,CC2C1=C(C3=C(N=C1C(Br)C(C)(C)C2)SC4=C3CCC4)C5=CC=CC=C5,ICUZUNRQZJEXMT-UHFFFAOYSA-N
-0119934CEBFEE861_5B2A3D9E91BD2253_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,QTTCVHWVXJXKLD-TWONFVHBSA-N
-0165EE7BD65D1ABF_CBF4BAD1E94BFFB7_6029_UN,N(CC(O)C1=C(C=CC=C1Cl)Cl)[S](C2=CC(=CC=C2)C=CI)(=O)=O,NJNGFENNVHYWGX-UHFFFAOYSA-N
-01E783C51D116335_902581278F42729E_6029_UN,ClC1=CC=C(C=C1)C2CN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,XJLPDHFAMAFZPW-UHFFFAOYSA-N
-021A82415F363A0F_5EB6763E6B3C870D_6034_UN,CC2=C(C=C1N(C(=NC1=C2)Cl)CC(CC(C)(C)C)N)C,GQROTLFRBVBBOM-UHFFFAOYSA-N
-035F1E7172732866_B0DDCF803DFBE679_6029_DP,O[C@@H]1C[C@H](C1)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,GIDDTVKDQYHFNE-JOCQHMNTSA-N
-086307F93F77C6D1_1188D8845867EF45_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)N4CCN(CC)CC4,AAZJLIKDGJAIID-UHFFFAOYSA-N
-08E00BE55BF5E27E_846FF78F6795512E_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(C3=C(Br)C=CC=C3)CC4,QMIBKBZMTWLRFG-UHFFFAOYSA-N
-09C20487CB6FA497_FD6AA6F24015D0EF_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=CC=CC(=C2)OC)=O,JRIVQSRDQDLYQN-UHFFFAOYSA-N
-0A6D522F6B806189_2F8D1C42CEE3D14C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=CC=NC=C4,KVQCSLRKILCNJC-UHFFFAOYSA-N
-0A87840447E57AA2_93DE3617A7839A27_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,XFIDIEGJLDTHJO-UHFFFAOYSA-N
-0C559176D6CEEC8F_DBBBEB1F4E3AD3E0_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=CC=NC(=N2)N3CCN(C)CC3,RLGFZKQRBONHDV-UHFFFAOYSA-N
-0CF95917C96D3CCE_D85F64D9836C0C2A_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)C[C@@]3(C[C@@H](N)C3)C4=CC=CC=C4,YMJRARIUOTVPBB-DRQUAOQDSA-N
-0D84BD60D221F15B_8A96CE3C8C745121_6038_UN,O(C(CCC#C)CC1=CC=C(C=C1)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,BQFBTXWCXKWLLC-UHFFFAOYSA-N
-0D93ACB3030D53AF_773B28673DC994E9_6038_DP,CC1=C(C2=C(N=C1)C=CC=C2)NC(C=CC3=CC=C(C(O)=O)O3)=O,UIRLEIVZCHNWOR-UHFFFAOYSA-N
-0ED0DC92CEE0FF1B_96407BF8B1792D94_6029_UN,CC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,GWFBSJPNPJEEHU-UHFFFAOYSA-N
-0F49ACA91D923D98_9E35A1314A912639_6041_UN,O[S](=O)C1=CC(=NC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,KQFIUGDZBNVODS-OAHLLOKOSA-N
-1263D3C826A60C05_DE2064E1C5AAABD4_2201_UN,CC4C3=C(C1=C(SC2=C1CCC(C)C2)N=C3C(Br)C(C)(C)C4)C5=CC(=CC=C5)C,PIKXLZWXZUJKDC-UHFFFAOYSA-N
-131A7130E6111EBC_821DE0D10475C7A5_6041_UN,C[N]1C=CC2=C1N=CN=C2NC(C[S](C)(=O)=O)C3=CC=CC=C3,KHQOBOIFAJTYQC-UHFFFAOYSA-N
-17D5430824777AEA_ECA143540EF66356_6041_UN,CC(C)C1=NC(=CC(=N1)NC2C3=C(OCCC2)C=CC(=C3)F)C(C)(C)C,MSNWGUWVTHHNCV-UHFFFAOYSA-N
-1B2AFB8615661F77_F6D3671E68498766_6029_UN,N(CCC1CCCC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,GVDXLEXFCAJLBP-UHFFFAOYSA-N
-1C2492A761C1ED16_C52E6DDB65562080_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(C)C(F)F)C=C3)(=O)=O,AVAZRSALUAGZNQ-UHFFFAOYSA-N
-1C458186E737131D_67B2CF6953502CEC_6029_UN,C1C(CN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)OC4=NC=CC=C4,IPQWBNTZFNVUSA-UHFFFAOYSA-N
-1C80F407F1A45A8B_51ABCA79D7C7E5D8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C5=C(OC4(C3)CCC4)C=CC=C5,PWXNPWYBXBTUBD-UHFFFAOYSA-N
-1CBE5CA015E4CDA0_7D206C2CA8B89955_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3=C[N](C(C)C2CC2)N=C3,JINCLQXCZZWPDB-UHFFFAOYSA-N
-1D054F87293507A1_397A4A1B908E7326_6029_UN,OC1(CCN(CC1)[S](C2=C(C)N=C3CCC[N]23)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,JNGVJFWOVJNWPA-UHFFFAOYSA-N
-1DDC251FF0E5B87E_AE759D672EC8FB48_6029_UN,CCC1(CC(C1)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C,LUWFPTAZDKKVEC-UHFFFAOYSA-N
-1EEB62B49526CDEE_632726D1C993EE73_6029_UN,C[N]1C(=NC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,UWJUPZWMAUKDJQ-UHFFFAOYSA-N
-1EF233C764EFDC62_F0B89001FF0A8CA3_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O,KEPQBODROYIJOP-UHFFFAOYSA-N
-1FC3880CA055FE5D_68E632E5D2D6F3B5_6031_UN,O(C(=O)C[N]1C=C(C=N1)[N](=O)=O)CCOC2=N[NH]C(=C2C(OC)=O)N,TZCJEJAYIOGORY-UHFFFAOYSA-N
-205DC8C39736359B_753E492624546FCF_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O)C,LBDBHXUIXQCAOI-UHFFFAOYSA-N
-20FBBA9AE4ECDD4A_02AB8BCCE1E844F9_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=CC(=C(OC)C=C3)F,QIEAXMXPPYYNJJ-UHFFFAOYSA-N
-23033F0D745C3EEF_519BB9A24ED48382_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC=CC(=C3)C[S](C)=O,URWDFLYEQMSEMB-UHFFFAOYSA-N
-2427D54AB58CD23F_56D8518A58E7936D_6029_UN,CC(CO)C1CCN(CC1)[S](C3=CC2=C(OCC2CBr)C=C3)(=O)=O,FQWDOVFPKQYEQO-UHFFFAOYSA-N
-261C375F872729C6_D12C2FE29526C5AE_6041_UN,OC(=O)C4=CC1=C(C(=CC=C1)NC2=CC(=C(C=C2)C)[N]3N=NN=C3C)OC4,VYOHIKHRJLOURE-UHFFFAOYSA-N
-26EBD6AAC7591399_FF9F27691319C8E0_6035_UN,C[Si](C)(C)C#CC(OC1=C(C(=NC(=N1)C)C)C)CC2=CC=CC=C2,IDNNLPFFBRWPPA-UHFFFAOYSA-N
-27F3E3690C64367A_8CB047174C74D3C7_6038_UN,ONC(=O)C1=C(C=CC=C1)OC(=O)C2=CC=C(C=C2)N3NC(=O)CCC3=O,OWRPWFGQQSAXMH-UHFFFAOYSA-N
-2896244D8CBAE6DD_2BE9957BE029055D_6029_UN,CC(C)C1=CC2=C(C=C1)CN(CC2)[S](C3=CC4=C(N=C3)OCO4)(=O)=O,DWDIYTMOHXFFBS-UHFFFAOYSA-N
-2C9CC996A54E0934_A7BFCFD75E188C35_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,FHHKMEZIWYYFGE-UHFFFAOYSA-N
-2DFB271567B1D5D9_438D95613D1BD572_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(COC)C=C3)(=O)=O,HRTKGMHFWSUKGR-UHFFFAOYSA-N
-2DFB271567B1D5D9_FA5347A82E419569_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(COC)C=C3)(=O)=O,HRTKGMHFWSUKGR-UHFFFAOYSA-N
-2E1EE0E102005248_6E37F1C334600278_6041_UN,CC4=C(O)OC1=C(C=C(C=C1)NC(C2=NN=N[NH]2)C3=CC=CC=C3)C4=O,OALLQCPIGZZAMO-UHFFFAOYSA-N
-2E205D36EB4536F4_1ECE9F2AC650F082_6038_UN,CC(C)C(NC(C2=CC1=C(B(O)OC1)C=C2)=O)C3=NC(=NO3)C4=CN=CC=C4,RZPPUHPHUNBWSU-UHFFFAOYSA-N
-2E29387A1A8A1C5A_983CDE90BE93FDD7_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=CC(=C3)C#N)CNCC4,PAIQRMFYXHSVAN-UHFFFAOYSA-N
-2F5ADB070ABB10F3_AE558E29B4423083_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=C(C=CC=C3)Br)(=O)=O,OUOSEJGPKWZBKY-UHFFFAOYSA-N
-308A86FDE64AC762_3FB583B6B2670978_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=C(C)C=CC=C3)C4CC4,RGPAESOOQGKILM-UHFFFAOYSA-N
-30FCCAB0ACF8020B_B21D28EB959F3933_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C4=CC=C(N3CCC(O)C3)C=C4)(=O)=O,PEDLERQLWTZICI-UHFFFAOYSA-N
-31DBA10DD588F61C_92C48EB7FB4C6F10_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=CC=CC=C4,FUPIMPCLSXSJIE-UHFFFAOYSA-N
-32D9917E55D3A5F0_1A91AC664D7890B1_6041_UN,OC(=O)CCC1=NC=C(O1)C2=C(C=CC=C2)NC3=CCOC3=O,VPSHUPPEWXBNRP-UHFFFAOYSA-N
-32D9917E55D3A5F0_426628FA74586BBC_6041_UN,OC(=O)CCC1=NC=C(O1)C2=C(C=CC=C2)NC3=CCOC3=O,VPSHUPPEWXBNRP-UHFFFAOYSA-N
-3446F2A11097AC59_FEE9D38B75A9923F_6029_UN,N(CC1CCCC(F)(F)C1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,QLDFTUPOLPVOKX-UHFFFAOYSA-N
-353645F21E38841E_5C9EC19EB2808494_6041_UN,OC(=O)C1=C(C=CC=N1)NC2=CC=CC(=C2C)N3CCOC3=O,FPAKCROUYVRAJC-UHFFFAOYSA-N
-353645F21E38841E_F45F1260916C6102_6041_UN,OC(=O)C1=C(C=CC=N1)NC2=CC=CC(=C2C)N3CCOC3=O,FPAKCROUYVRAJC-UHFFFAOYSA-N
-363F9BD5B5F026B9_0FB885A2EA59C155_6041_UN,C[N]1C=C(C=C1NC2=CC=C(C=C2)C3=NNC(=O)CO3)C(=O)O,LNOBXHPGOTVNTE-UHFFFAOYSA-N
-36C7961EE083F359_4A2B32D2CBEDB0EE_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,FNNTWQZBIIMAOR-UHFFFAOYSA-N
-37595A87F5C93C05_6EAECC9F9FF2C7C1_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C3=CC=C(C(C)F)C=C3)(=O)=O,BBJMNPZADWIPIB-TWONFVHBSA-N
-38EAC4A5B87538F9_41A08F16764F12D7_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,QLPNTKLSDJREHH-UHFFFAOYSA-N
-3C50D238285B3ACE_8C47675379DCA645_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3(C[S](C)(=O)=O)CCC3,XGMPRSHBZYHWMC-UHFFFAOYSA-N
-3D85CADF1242E1EE_54FF9CCFFFA53AD2_6041_UN,C1(=CC=C(C=C1)C3CN2CCSC2=N3)NC(C)C[S](=O)C,BIPYZNZSFPZQHQ-UHFFFAOYSA-N
-3DEB055886EF21EC_DAC0C3E4C6F84830_6035_UN,NCC1=CC(=C(C=C1)N3CCC(OC2=C(C[S](C)(=O)=O)C=CC=C2)CC3)F,OGKIHGXATSNZTC-UHFFFAOYSA-N
-3F078E0AB4CF5F41_5EF7A7DDDBB7E890_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3F)(=O)=O,ITAHLYXIHRKOSU-UHFFFAOYSA-N
-4025F74EC1C34C7F_4F6CC3A66864D13A_6038_UN,O(CCOC1=C(C=CC=C1)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VTWLXYQDDPJXBF-UHFFFAOYSA-N
-40C572C22F3529F4_48D2341E35863D40_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC(OC4=NC=C(C3CC3)C=C4)CC5,JSFUDMJAGCKXOP-UHFFFAOYSA-N
-416BC03F25C69BD6_BEB8C64F6270459A_6041_UN,C[S](=O)(=O)C1=C(C=CC=N1)NC(C2=C(C)C=CC=N2)C3CCC3,GPDZKEXHRXAQMQ-UHFFFAOYSA-N
-4267610152A51439_4F518BB6529D5CF8_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=CC=C(CSC)C=C3)(=O)=O,AWBXDBJUJDYCSP-UHFFFAOYSA-N
-430837ABE15131E2_4B8620A78AA730B0_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,PDHATZQICHEZAM-UHFFFAOYSA-N
-436428755408F61E_2728D3DE5DC74729_6041_UN,CC(C)C1C=NC2=C1C=C(C=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,ZFBBFEGCGHFFML-UHFFFAOYSA-N
-441EEB43B49A8FFF_6EAF4A1D92B103C0_6035_UN,O(C2CCN(CC1=CC(=CC=C1)Br)CC2)C3=C(C[S](C)(=O)=O)C=CC=C3,KGEHOBMPDKUXBZ-UHFFFAOYSA-N
-45005EB4A15CE437_02B9DD96C550892A_6039_UN,O(CCC1=CC2=C(C=C1)CCC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,IXXXMTPHVUYTTD-UHFFFAOYSA-N
-45C27E0507ECB162_DDCB3AD0992F9120_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@@H](C2=C(OC)C=CC=C2)C,YNVGYZCNNPVTEO-MLGOLLRUSA-N
-47D2DE06786F10AB_D14CE1DA061047F1_6029_UN,FC1=CC(=CC=C1)C2CN(C2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,NIROZCVUCBQBFA-UHFFFAOYSA-N
-4816B8661317E1F6_AF809722EDB8EAC3_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3Cl)(=O)=O,XUHNMLSSIQKLJM-UHFFFAOYSA-N
-48217A84E5254AE3_45DD71CA874614F9_6039_UN,OC(=O)C1=C(C=CC(=C1)NC(=O)C=C)OCC(NCC(OC)=O)=O,KQROTJBDRANWOX-UHFFFAOYSA-N
-484C7B77571777EF_E260216FFE41CA20_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC(C2=C(C)C=CC=C2)C3CC3)C4CC4,SKFFECIEGUPPDK-UHFFFAOYSA-N
-49ABF166EA792B9B_2704F4644002F82B_6038_UN,COCCOC1=C(C=CC=N1)CNC(=O)C3=C2C=C[NH]C2=C(C=C3)F,XADZOENBCUGDLC-UHFFFAOYSA-N
-4A960751FA85E1D2_B7A94C1DCA1239D4_6041_UN,C1(=CC(=NC=C1)C2=NCCO2)NC(C(C)[S](=O)(=O)C)C3=CC=C(C=C3)C,BJFNQUUNWVEMSX-UHFFFAOYSA-N
-4B1C7F3F9E6FADF3_7377C6C014491A30_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CN=CC(=C3C)C#C)(=O)=O,UCPAMUMHHWPYDM-UHFFFAOYSA-N
-4B488DAB4B335258_57F3ADBBA56D1488_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC(C)C2C(C2)C3=CC=CC=C3)C4CC4,WJQXFSVSBVUNOX-UHFFFAOYSA-N
-4BE77F8C4B4F5D3C_C7641F55F885160E_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC(=C(C)C=C3)N4CCOC4=O,LZIWNEQJWCVYKG-UHFFFAOYSA-N
-4BF7716EB7147B7A_DBB7840B2F447A8B_6041_UN,OC(=O)C1=CC=C(O1)C2=C(C=CC=C2)NC3=CC(=CC=C3)N4C=NNC4=O,NGENRJYDBOMPNP-UHFFFAOYSA-N
-4EFE1A64882BF614_898525571F180CAD_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC(=C(C[N]3C=C(C)C=N3)C=C4)F)(=O)=O,FPZUJLUTLSXVJC-UHFFFAOYSA-N
-4F428ED61428DB90_0AF314ED28727ADA_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,GMMXUBGXADRRNZ-UHFFFAOYSA-N
-4FBBE1FFE20EC44C_799AF1A624B9C293_6029_UN,CC1=CC(=NC=C1)C2CN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,JAKJWPCDAXYKAW-UHFFFAOYSA-N
-51553BAE677415E2_68422B34009F5361_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC=N[N]2C,HBTHJIHIPBDWPQ-VIFPVBQESA-N
-519FA0AB7A3E394A_8D59A5D45108FEDA_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3(C[S](C)(=O)=O)CC3,GOULZGSHMFUNFX-UHFFFAOYSA-N
-52ACA20668F9D6BC_DBBA2DB757F2BEE2_6041_UN,CC1=C(N=C(N=C1)NC(C)C2=CC3=C(C=C2)OCC3)[S](=O)(=O)C,ICBFXWAEYMSLRJ-UHFFFAOYSA-N
-52E463D545A834EA_419DC7AA277E182A_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CC=C(C[S](C)(=O)=O)C=C3)=O,DQDAQWLRTRBYFH-UHFFFAOYSA-N
-54AA533D67FF5F8F_EF236C155ACFCBF7_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4C)C[S](C)=O,ZYCNZIQHDVZCPJ-UHFFFAOYSA-N
-54F8EF3C9ABC2557_E2C2519DD03E2DAD_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3CC(C)(C)OC4=C3C=CC=C4,JSXMDVPWNHNMOG-UHFFFAOYSA-N
-553778E2AE27E279_DA5E04ADEB48F9CB_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3,WCRSXHBCNAPJEG-XYPYZODXSA-N
-57DC45019B935287_0425388CCB167AAC_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=CC(=C4)[S](C)=O,ADYCQYJIKADPGA-UHFFFAOYSA-N
-5882F283F07E8E75_6427D9D2F2F97921_6041_UN,CC4=C(O)OC1=C(C=C(C=C1)NC(CC2=NN=N[NH]2)C3=CC=CC=C3)C4=O,ZZTZHIBDGLAPOM-UHFFFAOYSA-N
-58EEC01B7393FCB6_DC1616F6CFD21347_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,GGUPEEDODCUEDT-UHFFFAOYSA-N
-592839000D9B6A24_3A07CF18D8D70495_6029_UN,CC(C)C1=C2C(=CC=C1)CN(CC2)[S](C3=CC4=C(N=C3)OCO4)(=O)=O,LUGFGDLPRNBTAQ-UHFFFAOYSA-N
-5B6AE4050DD02BF0_ACD00C4F8FA92BE4_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=C(CSC)C=CC=C3)(=O)=O,ZTAUINCVRRXWBX-UHFFFAOYSA-N
-5BC2122C110A048B_1B5E2AD97AC9EF10_6038_UN,O(CCCC1=C(C(=CC=C1)F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WOPWHKYCPOFLLZ-UHFFFAOYSA-N
-5BDB80E2C7F920C2_D0FB72FD803A03B7_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(=O)C(CC3=CC=CC=C3)[N]4C=NN=N4,UJRTVPUVMXRKAM-UHFFFAOYSA-N
-5C2CAE67646D8FBE_80C4EEF955E2DCAF_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NC(C)C2CCCN2,ULKCLBKUOWYFFD-UHFFFAOYSA-N
-5D7380CD8177677A_2EDFA9E132AD4E77_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=CC(=C4[S](=O)(=O)C)C,MMVHCNINLDEULA-UHFFFAOYSA-N
-5EE49C15BE8D1AF9_9736564906354FBC_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=CN=CC=C4,GOFXGFZYRTVOOU-UHFFFAOYSA-N
-5F799CB89FBE4A5F_77BE35E42171230F_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC(C)C3COC4=C3C=CC=C4,LMKUXESKHDHGIU-UHFFFAOYSA-N
-61EF167B184E2288_AB82B1F88BA75240_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,VRDAXJMURVMFIP-UHFFFAOYSA-N
-6346BD3789DEFD21_30053CBD5CD2B4F4_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,XPQBLYVNBXMVDO-UHFFFAOYSA-N
-635645297CE89C30_D631C4042D6993B2_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=CC(=C4C)C[S](C)=O,KXKXYUNFMVABHN-UHFFFAOYSA-N
-64B4C474CA48E6FF_2294DBE76F4FB388_6038_UN,O(C(C#N)C1=C(C=CC(=C1)F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,KKIYJYPGDBKQDR-UHFFFAOYSA-N
-650A65C13B482C99_C98526244FDB6454_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O)C=CC=C4,QOYDUEVSEXFHAF-UHFFFAOYSA-N
-6520696E79F1E6BD_3972BFA1910230B3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C[C@@H](OC)[C@H](C3)OC,LWYVSZDTDCHTQA-BWXMKOSVSA-N
-665EEC319E34C935_67FE410C80664E03_6038_UN,O(CC2=C(C=C1COB(C1=C2)O)F)C(C(C(C)C)C3=N[NH]C=N3)=O,XTYOQWIIBGBNFD-UHFFFAOYSA-N
-66DF1490934FBEF9_5254E73FEB7389CD_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=NC(=N3)N4CCN(C)CC4)C5=CC=CC=C5,DHOOSXUIKTXJLD-UHFFFAOYSA-N
-6725FFC32FD7DA92_C5B1F0FC06B22733_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,DETJZONQXFQVBR-UHFFFAOYSA-N
-693562AE7C74CB4A_618F7C579D388133_7013_UN,N2=C(C1C(C)(C)C1(C)C)[N](C3=C2C=C(C=C3)Br)C4CC4,IWGJELYEICJMFK-UHFFFAOYSA-N
-6A19BFF96BAF0447_1B0373C29F7E4402_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)SC=C4,SZDYIUNJDFIMHS-UHFFFAOYSA-N
-6ABA1F8D97401311_AFAA6E0B8034D959_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC2(C)CCN(CC2)C3=NC=NC(=C3)Cl,KMCFCUXDJUPNIT-UHFFFAOYSA-N
-6B2F3BFB1EB77CE3_DCD756154BD575AD_6029_DP,N1C4=C(C2(C1)CCN(CC2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O)C=CC=C4,VZTWEDOCIUEJEZ-UHFFFAOYSA-N
-6D4E5CEF048FD076_A92F185EEAA65E71_6029_UN,OC(C1CCN(CC1)[S](C2=CC=CC3=CC(=NC=C23)C)(=O)=O)C4=CC=CC=C4,RDEGOQXBZLTNGE-UHFFFAOYSA-N
-6D99EC8AC821DD15_05A7E8A29D5797EA_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CN=C(OC(C)C)C=C3)(=O)=O,VVCQKVXTSNLKEM-UHFFFAOYSA-N
-70B6A4332D412FBD_6B85F0250E4E20F1_6028_UN,N(C(CC1=CC=CC=C1)C#N)[S](C2=CC(=CN=C2)Br)(=O)=O,YXAJHDYHVDKERM-UHFFFAOYSA-N
-70DBB5817C2E0EEE_02655AAB34BE2C17_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(CO)C=CC=C3,NJVSEHNSJCGFHY-UHFFFAOYSA-N
-717502C3E2E1E582_6EF3E932C4549D07_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C=CC=C3,JHFMDMWGJKWSIA-UHFFFAOYSA-N
-72D8421A5D5DD83D_B08BF34297F7E817_6006_UN,COC1=C(C=C(C=C1)C(=O)CO)C2=CC=C(C=C2)OC3=CC=CC=C3,BBBZVBKGCCKYAD-UHFFFAOYSA-N
-73F0B6FD4E321B53_C89E5E73D811EAC5_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CSC3=C2C=CC=C3)C4CC4,XICYAHYXQRYNJT-UHFFFAOYSA-N
-751B040829C78DF8_CB91E0CA357ADEDD_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3CCOC4=C3C=C(C(C)C)C=C4,PIABZOZOFKNMHB-LJQANCHMSA-N
-760318B36242A971_1A3879C523361349_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2N[C@H]3C[C@@H](C[S](C)(=O)=O)C3,WCRSXHBCNAPJEG-PHIMTYICSA-N
-76CB6A6E9FEB17BC_BDB909F5269C9ABA_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3=C[N](C(C)C2CC2)N=C3,ADFCWJAPEIWHTL-UHFFFAOYSA-N
-76E6D41051107847_44D737925E9901C1_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=C[N]3C4=CC=CC=C4,VPGXYFVLYKORJU-UHFFFAOYSA-N
-798ADCCC7ED7CD74_AE0963C698CE9B98_7019_UN,COC1=C(C(=CC=C1)F)C=CC(CC)C2=CC=CC=C2,KEEMPBLQMRKNFV-UHFFFAOYSA-N
-79B50303E4BCA03F_490471A90ACC43CD_6029_DP,OC1CC(C1)CN[S](C2=CC=C(C(F)CBr)C=C2)(=O)=O,GWHMFLYWDSGPIO-UHFFFAOYSA-N
-7A12F961DA9F99B1_B99BF455B2E9C51E_7019_UN,OC(CF)C=CC1=C(OC)C=CC(=C1)C2=CC=CC=C2,VFULOBDJRBTMOG-UHFFFAOYSA-N
-7AF4C25A57C2C1EF_D3E61668B33D73DC_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,UUHOKPMYRUEWKK-UHFFFAOYSA-N
-7B29D268440D1C0B_EBAE0C0AC73663F6_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=NC=CC=C4,PAIXXBRFXALDJE-UHFFFAOYSA-N
-7F7C591C4CE4417E_BDF7A384E3F35C3D_6026_UN,CC(C)C[N]1C=C(C=N1)[S](=O)(=O)N3CCC(C2=CC(=C(F)C=C2)F)CC3,LPOYADFRPYBKCQ-UHFFFAOYSA-N
-80935FCAE022F9AE_133C6DA11CE4DEE2_2267_UN,CC2(C)CCN(CC#CC1=C([S](F)(=O)=O)C=CC=C1)CC2,DLZREBQWRKSDAE-UHFFFAOYSA-N
-81574FBD6E76E32A_0F16114B1AF96E48_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=C(F)C=CC=C4C5CC5)(=O)=O,KGOKLBJHLTYPSO-UHFFFAOYSA-N
-823381275BC26A3B_5CBDFE7410038836_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)C(C)(C)C,GMABSDDOGMLEPO-HNNXBMFYSA-N
-82955F28A135BC7E_A213403F82D527DE_6038_UN,C[C@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=C[N](N=C2)C,GHVBBBGYZFUWAY-VIFPVBQESA-N
-8296A20EDC2D551A_DB85E735EF2C3D0A_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C)(=O)=O)C3=C(C=C(C=C3)Br)Cl,MFFPZANLARSTKU-UHFFFAOYSA-N
-845F3A619ADC6226_2158AB4DC95DF7C1_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3=C(C)N=CC=N3)=O,FZOVCWPUNOJTAF-UHFFFAOYSA-N
-84E241CCA28E5632_15EFBD0F19C75EAF_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3C4(C3)CC[S](CC4)(=O)=O,HXHIEJHNWAEFSW-UHFFFAOYSA-N
-86C513E95AD7AA3B_9C44355FF5529DD9_6038_UN,CCOC(=O)C(NC(CC1=CN=C(C(OC)=O)C=C1)=O)CN(C)C,UTUGVPZLGYGVLM-UHFFFAOYSA-N
-8A8D3AD577ADD843_01C36090D04D7704_6004_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(C)(C)C3,NYHJPMGXTIDYBL-UHFFFAOYSA-N
-8C0D657BD35C585F_A0B71A3657E336DE_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NC3CCC(C[S](C)(=O)=O)CC3,UPEMGBJAPMLGEC-UHFFFAOYSA-N
-8DE47C41BB661ABA_F454EE1856F87803_6041_UN,C1(=NC=C(C=C1)C2CCC2)NC(C)C3=CC=C(C=C3)[S](=O)C,NDPXXFQGRUKNJZ-UHFFFAOYSA-N
-8F381DED5C2261B8_6D92625F7FC58BDB_6029_UN,CN1CCN(C2=C1C=CC=C2F)[S](C3=CC=CC(=C3OC4CC4)F)(=O)=O,CYYDIOUWKZCGEO-UHFFFAOYSA-N
-8F8373040CB107A9_096187246548F483_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C[N](=CC=C3)=O,MHXHCUFXUWNADC-UHFFFAOYSA-N
-90C52A325E366B5F_4346B1A30E2045CE_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C=CC(=C3)F,HEXPMGVPTXREGJ-UHFFFAOYSA-N
-90E0100A7C5077C1_B2109B93DB1CB957_6038_UN,CN4C[C@H](NC(=O)C1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)CC4=O,DTGNBBXIWBBHNN-SNVBAGLBSA-N
-920AF7C7E25D3006_43381214EEF8E3E2_6041_UN,CC1(CC1)C2=C(C=CC=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,ZJYQKZNRLJWFCC-UHFFFAOYSA-N
-93C157B509A474E2_5B17FF48596FF781_6029_UN,N([C@H]1C[C@H](CC1)CCO)[S](C2=CC=C(CC(F)F)C=C2)(=O)=O,IVTNAMFGMMBSTG-CHWSQXEVSA-N
-94394463B2BB5AFB_FB99F18ED7B0E908_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(=O)CC(C2=CC=CC=C2)[N]3C=NN=N3,YDUMLLHXPSZBFS-UHFFFAOYSA-N
-94DDCB4FBF7FA194_964DBD938C21EC81_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NCC3CN([S](C)(=O)=O)CC3,FMSJNURTHXTZSH-UHFFFAOYSA-N
-9547DADB24BDEA78_BAAD56D633425617_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O)C,YLRYEFOJCSRCLL-UHFFFAOYSA-N
-95CCEDCD263751C5_DB0143627A2F0343_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,JDCKUJXAORGQGH-UHFFFAOYSA-N
-96E69F689B536933_2F2DD3D90EADECC5_6029_UN,FC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,MEXZSYYMTYNIQY-UHFFFAOYSA-N
-97A781218CDD9C74_EAC38535D7BA114C_6041_UN,OC(=O)CC2=C1N=CC=CC1=C(C=C2)NC3C(OCCC3(C)C)=O,JQMNMOTXQIRQDA-UHFFFAOYSA-N
-9865DEDE4F796BB7_A798E63C3EB222A8_6041_UN,O[S](=O)C1=CN=C(C=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,BHLPZEPIZPZAOP-HNNXBMFYSA-N
-9869FD595EF451BC_C73D43A6C088467D_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCCCCCC)C=C2,XPKWMVMBCZSVCV-UHFFFAOYSA-N
-9984CF6E17475902_0AF924EA784053C7_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC(=C(F)C=C3)F)CC4,LNWDKPWOLFQUMY-UHFFFAOYSA-N
-9B51A3070DC8CAD7_C7B4F5B41BBC2976_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC3CCC([S](C)=O)C3,GNLXGDTXJMSQIW-UHFFFAOYSA-N
-9BA6509ADB287D00_A0DAA0D8F944A324_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC(C)C2CCN(C2)C3=NC=NC(=C3)Cl,SHGLNMWNWXEDKV-UHFFFAOYSA-N
-9C350D4A1DFAE262_6A81252353B46085_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=C(F)C=C(C=C4)C5CC5)(=O)=O,FKJJPFQHHDZFNE-UHFFFAOYSA-N
-9D823DE303E13884_447C42B2F65F2986_6038_UN,CCN(C)CC1=CC(=CC=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,PLDCYMGQFFDYQA-UHFFFAOYSA-N
-9EB13BB8346828A6_A2132A6741BD2B5E_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CCN([S](C)(=O)=O)CC3,XVTWNAWKMXVGCM-UHFFFAOYSA-N
-A01E472CE1FE7849_DC8B4A268B544624_6029_UN,O[C@H]1CN(C[C@@H]1O)[S](C3=C[N](C(C)C2=CC=CC=C2)N=C3)(=O)=O,SOLJOOKLHRAOKT-CNSWMUILSA-N
-A0F03DCB7D139C4C_0EE489C04E90FD33_6035_DP,N1CCC(CC1)C(OC2=C(C[S](C)(=O)=O)C=CC=C2)C3=CC(=CC=C3)Br,SWFJCRFQJWNNNK-UHFFFAOYSA-N
-A14FB771909A8517_751D69A797B0F559_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC(CC(C)C)C#N,HOKRDOPZOXXXQT-UHFFFAOYSA-N
-A189724FCF97D591_59E4F669ABFD22CF_6029_UN,OC1(CCN(CC1)[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=CC=CC=C4,XCWYIMPQTVVHEP-UHFFFAOYSA-N
-A1C8D681C6F2770D_4772360E8557C6FD_6029_UN,N(C1CCC(CC1)C#C)[S](C2=C(C=CC(=C2)C(O)C3=CC=CC=C3)Cl)(=O)=O,ASFQCJXVLAYZMH-UHFFFAOYSA-N
-A1EB7E53CEA5FD2A_6B1259D24D83F646_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3(CC3)C4=CC5=C(C=C4)OCO5,RHNLHSYWOABSIQ-UHFFFAOYSA-N
-A2182B82DCEF0B37_E32F25C31FB7FA51_6038_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)C(=O)C(CC3=CC=CC=C3)[N]4C=NN=N4,JANSGTYACJAVIH-UHFFFAOYSA-N
-A492656CD23C437F_5653916AB59BDDF9_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(C=CC)C=C3)(=O)=O,PFSGNOVPSNQNQR-UHFFFAOYSA-N
-A49DC48C7949A6B0_341E0067AFC1E95C_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3CN([S](C)(=O)=O)CC3,IVGHGLSULMMGPL-UHFFFAOYSA-N
-A600DC7B1AEB996B_CF01D6D3F5C96567_6038_UN,N(C1=CC(=CC=C1)C2CCC2)C(=O)CSC3=NC=CS3,GZOPOGBGKSTDBS-UHFFFAOYSA-N
-A65541DE60DDF1D4_FBF477487096CDE9_6038_UN,O(C1=CC(=CC=C1)CC#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,YBRFRQVXPAVSGX-UHFFFAOYSA-N
-A6EB4D8E759E989D_A8AF652ED44BBD25_6029_UN,N(CC(O)C1=CC=C(C=C1)Cl)[S](C2=CC(=CC=C2)C=CI)(=O)=O,KCQPCPMQCZHTNW-UHFFFAOYSA-N
-A7C94DA301138871_E8F30F4A7BCFE17C_6041_UN,OC(=O)COC2=C1N=CC=CC1=C(C=C2)NC3=CCOC3=O,XXLXCQIWFZGUDQ-UHFFFAOYSA-N
-AB019AFFC88D6CB0_6F2AC38FFD12F72B_6038_UN,CC(OC(CC1OB(O)C2=C1C=CC=C2)=O)C3=CC(=CC=C3)[N]4C=NN=N4,CNMWILDKBIIDJZ-UHFFFAOYSA-N
-ACFD97D05AA0A08C_5D491018841B4371_6038_DP,C[C@@H]1CNC[C@H]1NC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,FFGRKGXVRVREQD-ZWNOBZJWSA-N
-AD66DED9FA0DA34F_3C64E32CBE8FD08F_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NC3C(OCCC3(C)C)=O,VJEBGDRCRFVLMH-UHFFFAOYSA-N
-AF72196485E422D0_8D8D4C7ACF440575_6029_UN,ON(CC1=CC=CC=C1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O,YJZDXLIFJXAVOG-UHFFFAOYSA-N
-B0AC8FAC77AF5521_1D58569345F832FA_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,DBLNOLLAIMGNAX-UHFFFAOYSA-N
-B0C44799BC1F0FC1_98CC7C6B21309C05_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C(C(C)C)[N]3N=CC(=N3)N)=O,IHVRYXAHJIEULH-UHFFFAOYSA-N
-B32C2CF9B5B38CFE_C740AB4B21DC6B9D_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=CN=C(N2CCN(C)CC2)C=C3,WGPFUCHYAAUNRZ-UHFFFAOYSA-N
-B35F967119EE1E76_CB5EA632FD64E266_6029_UN,CC(C)(C)C1=CC2=C(C=C1)CN(CC2)[S](C3=CC4=C(N=C3)OCCO4)(=O)=O,KSDFBZFVDOVKBI-UHFFFAOYSA-N
-B520053CF3A858C7_03C49C85A4D7F174_6036_UN,C(C1=C(N=CC=C1)N2CCCC2)N([S](C)(=O)=O)C3=C(C=C(C=C3)Cl)F,AAVBYVGHWPKDNH-UHFFFAOYSA-N
-B556D5F021102B78_9675267B1A07CA6A_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3,VGIKNIHEZHUXFQ-HAQNSBGRSA-N
-B55A5045B14217B9_E876E07F9B35F279_6029_UN,CC1(CC1)C2=N[N](C=C2)[S](C3=CC=CC4=NC=C[N]34)(=O)=O,VRYDMPUNVLCXQI-UHFFFAOYSA-N
-B723FB6215E16297_11989070FA78E086_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)NC(=O)C2=CC=CN3C2=NCC3)F,LAQVQHYXAYFZNM-UHFFFAOYSA-N
-B752FAF06E6828AA_B248AE0BDAFC9319_6041_UN,C1(=NC=C(C=C1)C2CC2)NC(C)C3=CC=C(C=C3)[S](=O)C,OLPMKXPYFPFSMA-UHFFFAOYSA-N
-B76F20D848213C6D_E101084B3B62C75E_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=N[N](C)N=C3)(=O)=O,PWVBXPZQSDPXBW-UHFFFAOYSA-N
-B7A4F0E9C06A6FE1_42775C80D2F2F4EF_6029_UN,CC1=CC(=CN=C1)C2CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,ZYJASQVWOQBPGS-UHFFFAOYSA-N
-B7D011769804A6A6_A69AD9AB84526141_6029_DP,N(C1=CC(=C(C=C1)OC2=CC=CC=C2)C#N)[S](C3=CN=C(O)C=C3)(=O)=O,LVGVCFVSFPYRGN-UHFFFAOYSA-N
-B8BBB89B14932F40_BBF6F8D908193C9E_6028_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,RZZFHACQRMIVAF-UHFFFAOYSA-N
-B9258BC367243A08_4D58A5FDB7F208A4_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC3C2=CC=CC(=C2OCC3)CC,CMIFVUPNLGLGDN-UHFFFAOYSA-N
-BA606630988C8805_6AF864CAC481E35F_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C=CC=C3,DDXSPOPXTZBKAO-UHFFFAOYSA-N
-BC545EE4075AB392_6E888F8A0E3145A3_6026_UN,FC(F)C1=CN=C(C=C1)[S](=O)(=O)N2CCC(CC2)N3CC4=C(CC3)C=CC=C4,LUAPJRRUUXACBG-UHFFFAOYSA-N
-BCB863C9F12094DA_2FD899F37226C776_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCOC3CC[S](CC3)(=O)=O,YPRAPYWPHIPJBP-UHFFFAOYSA-N
-BD5551D8CB280575_AC38B6F377CC141F_7015_UN,C1CC(CCN1[S](C(O)C2=CC=CC=C2)(=O)=O)C3=NC(=CC=N3)C4=CN=CN=C4,JRRFAUPJROHDSA-UHFFFAOYSA-N
-BECA3DC66C07E8B8_8009E81D3394D3B6_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC([S](C)(=O)=O)C3=CC=CC=C3,BTKQHEHLRUGYHY-UHFFFAOYSA-N
-C07859DFC01E3DDF_1250DF5180833971_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,KVMFUJVMDGGHHP-UHFFFAOYSA-N
-C0E6FC97B616B1ED_2481CED812539567_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=CC=CC(=C4C)C[S](=O)(=O)C,SKCADQWYNOHXON-UHFFFAOYSA-N
-C2542FD82BEAAE3F_EBD5CBAB02A57701_6041_UN,O[S](=O)C1=CC(=NC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,KQFIUGDZBNVODS-HNNXBMFYSA-N
-C271B290C2307A2B_5EDAFC886542ACCE_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=CC(=C3OC=NC3=C4)C(C)O)(=O)=O,KOPSQTAMSNJXEM-UHFFFAOYSA-N
-C2911FC74D5DFAF2_30540D1F19304C43_6029_UN,N(C1CC(C1)=C2CCC2)[S](C4=CC=C(OC3=CC=C(OC)C=C3)C=C4)(=O)=O,CDRYRXSSUWIVDD-UHFFFAOYSA-N
-C481BCCF5E5A690F_91740375592F156D_6038_UN,CC(C)C(NC(C2=CC1=C(B(O)OC1)C=C2)=O)C3=NC(=NO3)C4=CC=NC=C4,LXVOSYKOARELLV-UHFFFAOYSA-N
-C496C46624CED7AE_7A967F052B887F1B_6026_UN,FC(F)C1=CN=C(C=C1)[S](=O)(=O)N3CC2CC4=C(N2CCC3)C=CC=C4,MRKNGDHUZQFWFJ-UHFFFAOYSA-N
-C4FD1956E70BAAA9_9055BA9E467B08F8_6041_UN,COC1=C(C=CC(=N1)NC(C)=C(C#N)C(=O)O)C(=O)O,IIYWMXCWBAJWBB-UHFFFAOYSA-N
-C51DCCE16393179C_276AF9CAA830A990_6038_UN,O(CCCC1=C(C=CC=C1F)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,MRQPVWWSLQOSPW-UHFFFAOYSA-N
-C69C34A9170232B0_8AD25B23656364CF_6028_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)F)(=O)=O,VJPVOCYDVVBEDO-UHFFFAOYSA-N
-C879CAFAD76DEF39_F03B5D2D66B7ABE2_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(CCC3(C)C)C=CC=C4,HQZUXHYZQZUDHY-UHFFFAOYSA-N
-CA5EB6187E9D396A_C0FA22E5FC36958B_6041_UN,O[S](=O)C1=C(N=CC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,YBIDCVFOEKDSCT-CQSZACIVSA-N
-CBA94751F0986A9E_B99BDA65A7C2EFB9_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3=CC=C(N2CCC(N(C)C)CC2)C=C3,BGFACANJLNAPPL-UHFFFAOYSA-N
-CD79F7241E6CEC23_C08E297CCDA71451_6041_UN,C2(=C1C=CC=NC1=C(C=C2)C#N)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,SCPYJAUMJXXNCR-UHFFFAOYSA-N
-CDC5DEE2E381175B_E59EEF9C2BBB5489_6031_UN,NC(CB(O)O)C(=O)OCC(OC)(OC)C1=CC=NC=C1,FAIVOBZMANGDKH-UHFFFAOYSA-N
-CEAB2ACCB63C9C0C_C8068B99404A475B_6028_UN,ON(CC1=C(C=CC=C1)Cl)[S](C2=NC(=N[NH]2)C3=CC4=C(C=C3)CCC4)(=O)=O,UFEOIXAIVODWCN-UHFFFAOYSA-N
-D0AB5B756DC90163_9D51D320F9FF8346_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=CC(=C(OC)C=C3)Cl,ZFOVZFOKBQXPAG-UHFFFAOYSA-N
-D3B11652C733923B_6D50A1C9A7BD7D01_6029_UN,C1CN(CCN1[S](C2=CN=C(C(C)Cl)N=C2)(=O)=O)C3=CC4=C(C=C3)OC=C4,YZULQRPSXDNNRU-UHFFFAOYSA-N
-D42C4F95AD7566D4_E0C1C90BE3ED4A40_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3CN([S](C)(=O)=O)CC3)F,RFOVMJDJNOXYFI-UHFFFAOYSA-N
-D4852B9F566E1120_60CF5F5B109A6A16_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C=C(C=C3)F,AMLXBSQCFMORKS-UHFFFAOYSA-N
-D4BF2F8014BAFB3B_1E361B97FB2A5E88_6029_UN,CC1(CC1)C2=N[N](C=C2)[S](C4=C3C=CC=N[N]3C=C4)(=O)=O,LUBLMKSIAMSBCR-UHFFFAOYSA-N
-D7CD71B1CFF70AD4_8360E50FFE6A5DB4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CC3(CCN(C)CC3)OC5=C4C=CC=C5,JLFLGJZIYGTBMQ-UHFFFAOYSA-N
-D7DA1DF631370AA0_66E7175CE32B393D_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C(C)C)[N]2C=NN=N2)=O,CVRHLZABAWOFSN-UHFFFAOYSA-N
-DB03629EAF1FE6AD_7D29691FADE861FE_6035_UN,CC(OC1=C(C=CC=C1)C2=NCCN2)C3=C([N](N=C3C)CC[S](=O)(=O)C)C,OLEIWNBIMJWADS-UHFFFAOYSA-N
-DB4992EEF9972855_C4D88E8117E09E8D_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C(CC[S](C)(=O)=O)C=C4,YNZUZUCPJZVJAM-UHFFFAOYSA-N
-DBAA147539CE7282_5132C3BCBC838DC8_6039_UN,N[S](=O)(=O)C1=C(C=C(C=C1)OCC3=CC=C(N2CCC(OC)CC2)C=C3)F,URNXFFGORUTLBB-UHFFFAOYSA-N
-DC0DAFBD15465E1F_72DC9DCF834B59FD_6041_UN,CC(C)C1=N[N](C(=C1)NC3CCC2=C(C=CC=C2)[N]4C=CN=C34)C,MHZQHUKLAHRLPP-UHFFFAOYSA-N
-DC8111A636C7B351_02D62D228B7B756F_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,GDDBBKGSASSKDZ-UHFFFAOYSA-N
-DF18EA28AF2CFB97_C2E0E3BAADF2EE8F_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,UTOHMYSHWDHQFJ-UHFFFAOYSA-N
-E0EE39E731B26C2C_4945353F1B5C1CCB_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC=CC(=C3)COC4=CN=C(C)C=C4)=O,VODPYSOWBVZTRC-UHFFFAOYSA-N
-E2E55BDA9258566D_6825966B79B47A84_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=C(CN3CCCCC3C)C=CC=C4,GSBNXDDHAFWISX-UHFFFAOYSA-N
-E3C53123E24DAB82_66C1D27134456A48_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]4C3=CC=CC(=C3OCC4)C,DRUXITADNUFNSB-KRWDZBQOSA-N
-E757A33E40D4561C_BEA6D3372BBE5225_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4CCC([S](C)=O)C4,SCKYABUZLSPJNY-UHFFFAOYSA-N
-E8C9782C7B7A1901_1893E4DFDB6DD400_6041_UN,CC(C)C1=NC(=CC(=N1)NC2C3=C(OCCC2)C(=CC=C3)F)C(C)(C)C,MOFQXAHILWAQBV-UHFFFAOYSA-N
-EB66AAA0AA3E3CF2_CBCA160A09BF1F95_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=C(C=CC=C3)NC4=CCOC4=O,CGRFSASXTNQCFF-UHFFFAOYSA-N
-ECE2E2B4AA800D57_1FE90D94C5F557E8_6029_DP,ON(CC1=C(C=CC=C1)Cl)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,XUOMJUWDGNQJGR-UHFFFAOYSA-N
-EE29CA35F5793E52_438FC068334D2FB9_6041_UN,FC1=C(C=CC(=N1)NC3=C(C=C(N2CCN(CC)CC2)C=C3)C)[S](=O)(=O)F,RBMIXAPTBZZAGB-UHFFFAOYSA-N
-EE303AA6A879C50F_7D655AAB2E3A1701_6029_UN,FC1=C(C(=CN=C1)F)N2CCN(CC2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,GJBLMTHUCLANJN-UHFFFAOYSA-N
-EFB3B7A4164D400B_6AAAFE2D9310D200_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C2=CC(=CC=C2)C3CCCCC3)(=O)=O,CWAAJAJFVZEWJS-UHFFFAOYSA-N
-EFEC5D9C2F2A97A6_635EE30498BCB561_6029_UN,OC(C1CCN(CC1)[S](C3=C[N]2C=C(C)C=C2C=C3)(=O)=O)C4=CC=CC=C4,MWQDZKULXSXMTE-UHFFFAOYSA-N
-F05CE72EAAD4162E_3AA86393979835C4_6029_UN,C1CC(CCN1[S](C2=CC=C(CC#N)S2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,DBHZVLQMKJWBCW-UHFFFAOYSA-N
-F0A66F0E2D5C7CA7_9E798558BDEA69E1_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCC(C)(C)O)C=C2,IJYYKXIRTUZWLX-UHFFFAOYSA-N
-F101965132A5B3DA_6F0FB4B61C18A5A6_6029_UN,CC1CC(CN1[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O)C4=CSC=C4,UQTPXAAURZZLPR-UHFFFAOYSA-N
-F128A0B408A8165A_0DFBCA97BD68BA62_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC(=C(OC)C=C2)C3=CC=CC=C3,YNFPCILHTCYTPF-FQEVSTJZSA-N
-F128A0B408A8165A_9493DE248215BCEE_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC(=C(OC)C=C2)C3=CC=CC=C3,YNFPCILHTCYTPF-FQEVSTJZSA-N
-F139483DC3B821F9_7AB00434A0B61EAD_6041_UN,C1(=NC(=CC=N1)N3CC2=C(C=CC=C2)C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,DDFPPNYKPDIGRK-UHFFFAOYSA-N
-F2F6C770BE9AAE64_1CCED533D7BD1077_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2CCOC3=C2C=C(C)C=C3C)C4CC4,GUNYFZQZMVZYJV-OAHLLOKOSA-N
-F4AE94A5C9757630_EA89AC579C398CF9_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)=O)CC3,MCWMUECCUQWMFB-UHFFFAOYSA-N
-F5610C28415DC14C_F32BEC712C93474B_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=CC(=C3OCOC3=C4)Cl)(=O)=O,ROPNQLAKLBIHTA-UHFFFAOYSA-N
-F5BDC648D54ACE51_59C0DEA0B55D8A70_6041_UN,O[S](=O)C1=C(C=CC=N1)NC2CC(C)(C)OC3=C2C=CC=C3,JWOOHKQWDRMPMI-UHFFFAOYSA-N
-F6B9E8A3E455D983_82BC54FFDECD3165_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,TVPLCVUPFMMUQD-UHFFFAOYSA-N
-F77BBEB08D6DD957_9EAE30B0FFB4761C_6035_UN,C[S](=O)(=O)CC(OC1=C(C(=CC(=N1)C)C2CC2)C#N)C3=CC=CC=C3,AJQVOTPFDLNCNB-UHFFFAOYSA-N
-F7F4B400BC9AA45D_D2788CA676867390_6041_UN,O[S](=O)C1=CN=C(C=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,BHLPZEPIZPZAOP-OAHLLOKOSA-N
-F82A2126EB8687D0_E734B0BCA188E06B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC3=C(N(C)CC3)C=C4,JLTYSMKQPAWLMW-UHFFFAOYSA-N
-F83D589D7AC1FF92_7D7C2ED964FAD812_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4C3=CC=CC(=C3OCC4)C,DRUXITADNUFNSB-UHFFFAOYSA-N
-FAC8EDEB326B77AA_BE718A507D4E8FE5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,PIABZOZOFKNMHB-IBGZPJMESA-N
-FAE174AC5B6FD331_154947AA5462B32A_6035_UN,C[S](=O)(=O)CC(OC1=C2C(=CC=N1)NCC2)C3=CC=CC=C3,XFPFAGABWVZFAQ-UHFFFAOYSA-N
-FB2586F0E8F043D6_8EFD474355E5C36F_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CN=C(SC)C=C3C)(=O)=O,GJEZMNWQDLMRRK-UHFFFAOYSA-N
-FB45431B04372638_EE406DBC3666435A_6041_UN,CC1=C(C(=NC=C1)NC3C2=CC=CC(=C2OCC3)CC)[S](=O)O,CRENJNXTOHGSAP-UHFFFAOYSA-N
-FBA4174BE9197AE6_3813B56B74E0AF2F_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2=CC=C(C(CC)C)C=C2)C3CC3,CTMNLSSEASLYFT-UHFFFAOYSA-N
-FC2E52481DEDBB69_9F04C1F015B212B4_6038_UN,CC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC3=CC(=C(C=C3)Br)F,WNDLMTNCJUZNNS-UHFFFAOYSA-N
-FEC70C02E0457096_90858CE586D1E0A7_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C3=CC=C(B(O)O)C=C3)=O,SQOJXYJRAUIBFB-UHFFFAOYSA-N
-FFD3DE56232CFD73_6BF155888431CBDD_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC(O)C4CC4,UVQAALZKVLVCMB-UHFFFAOYSA-N
-rxn:2:104074:166005,CCN1CCN(c2ccc(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)c(C)c2)CC1,RSCPRSVTVDNKJJ-UHFFFAOYSA-N
-rxn:2:121682:166005,CCN1CCN(c2ncc(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)cc2C)CC1,DCAQVIGYPCWXDE-UHFFFAOYSA-N
-rxn:2:134044:166005,CC1CCN(Cc2cccc(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)c2)CC1,UDUTYJINPPRQPL-UHFFFAOYSA-N
-rxn:2:136635:124940,CC(C)N1CCC(NC2COc3c2cccc3S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,AEVGZRPHNWFTSZ-UHFFFAOYSA-N
-rxn:2:75767:124940,CC(C)N1CCC(N[C@@H]2COc3c2cccc3S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,AEVGZRPHNWFTSZ-SKINQDTJSA-N
-rxn:2:83881:166005,CCc1ccc(N2CCN(C)CC2)cc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,QMZCZVGHPRQPKY-UHFFFAOYSA-N
-rxn:2:91173:166005,CCN1CCN(c2cccc(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)c2)CC1,CWSLHBGFPXKQTJ-UHFFFAOYSA-N
-007DA5D27254AC02_DB1F3847F460E9AA_6038_DP,CC(=O)C3=C(OC(C1(CNC1)C)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,BPQFKFDXVJCYHB-UHFFFAOYSA-N
-041A37898D2C0EDF_F3E558328111FE88_6035_UN,COC1=C(C=CC=C1)C(OC2=CC=C(C=C2)O[P](=O)(O)O)C3=CC=CC=C3,QLVDDZCAFNTLFP-UHFFFAOYSA-N
-054A502D45923516_E6CBA83D770883C8_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,CCVLTUVXCSVFTR-UHFFFAOYSA-N
-05CF8DA2E21CF822_0342E06A6410B511_6041_UN,C2(=C1[NH]C3=C(C1=CC=N2)CCC3)NC4=CC(=C(C=C4)F)C(CCCC)=O,DYCKMKCHFOMWOC-UHFFFAOYSA-N
-06B1C801B722B62B_3359078527C5B595_6027_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CSC=C3,XFAZECGIEPNLKL-UHFFFAOYSA-N
-06B1C801B722B62B_3359078527C5B595_7015_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CSC=C3,XFAZECGIEPNLKL-UHFFFAOYSA-N
-06B1C801B722B62B_ECB61C60A4A2C3B5_6029_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CSC=C3,XFAZECGIEPNLKL-UHFFFAOYSA-N
-0743D36C77DDE917_8D479F2D013EE5D1_6027_UN,C1CC(CCN1[S](C2=CC=CC(=C2C)C)(=O)=O)C3=CN=CC=C3,VVEPYAMHSQSJJC-UHFFFAOYSA-N
-0743D36C77DDE917_8D479F2D013EE5D1_7015_UN,C1CC(CCN1[S](C2=CC=CC(=C2C)C)(=O)=O)C3=CN=CC=C3,VVEPYAMHSQSJJC-UHFFFAOYSA-N
-0743D36C77DDE917_DBAA6DFDDE0DB2D7_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2C)C)(=O)=O)C3=CN=CC=C3,VVEPYAMHSQSJJC-UHFFFAOYSA-N
-088F14DBE41B890B_DC8E895BFFE9FE70_6038_UN,C[C@H](NC(C1=CC(=C(C=C1)[N]2C=NN=N2)C)=O)CN(C)CCCN(C)C,LOMIGGSGRCOLDV-HNNXBMFYSA-N
-091C338AB368EAA6_748CCAC260959C33_6041_UN,CN(C)C1=NC(=NC(=N1)NC3C2=C(C=C(OC)C=C2OC)OCC3)N(C)C,GBNBBEIKHSVVPG-UHFFFAOYSA-N
-09EE277A5BA67DB4_64D7E34FAFF4328A_6029_UN,C1C=C(CN1[S](C2=CC(=CN=C2)C#C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,ZADGEZFYKOWARC-UHFFFAOYSA-N
-0BD857CC661E86F3_0A43EFFAAF906D8B_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O)C4=CC=NC=C4,HAHCVKLYMSVMKN-UHFFFAOYSA-N
-0C0C954BB2AAEF78_5F74394430E7E7BD_6029_UN,C1CC(CCN1[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O)C3=NC=CC=C3,IIVUTCMNYZQMSW-UHFFFAOYSA-N
-0C7444AE0EF48E41_0F9E6687FA5C05DE_6038_UN,CC[C@H](C)[C@H](NC(C1=CN=C(C(OC)=O)C=N1)=O)CN(C)C,MZXQZBJBIWLLFI-GXFFZTMASA-N
-0DB58EC48EDC76DC_F65073993BC88636_7015_UN,CC1=CC=C(C=C1)CN2CCC(CC2)CN[S](C3=C(CC)C=CC=C3)(=O)=O,WWENBUPVWKQLAF-UHFFFAOYSA-N
-0DC74D5412A69964_14EAD39D900293EA_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2Cl)C)(=O)=O)C3=NC=CC=C3,HMAYZRVIIVAZAH-UHFFFAOYSA-N
-0E831881C37265B0_010FE1B06DE7255D_6028_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,ABHWRKJCNUZEOC-UHFFFAOYSA-N
-106022FB868EDF19_6996E681D96F958C_6027_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,AQAKWUQRIWMTFR-UHFFFAOYSA-N
-10C46FD4BA5CA119_050DDDB0663D3FD5_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(C(NO)CC3=CC=CC=C3)=O,VLYZRJSFTXIRMG-UHFFFAOYSA-N
-1382E76A679AD0CB_66A08A3695E5F6C6_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=CC4=C3N=CC=C4C)C)(=O)=O,LQVOTQZVAQVFBJ-UHFFFAOYSA-N
-1A5C242804657D55_246F703DE150A402_6038_UN,N(C1=CC2=C(C=C1)[N](C=N2)C3=CC=CC=C3)C(C(O)O)=O,SBGMULMQWLLGHB-UHFFFAOYSA-N
-1A707896CCA98948_FBB9EFB4B6F98308_6027_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,MVTTYYCHXOPMJY-UHFFFAOYSA-N
-1DD6DDF65B39AA70_CFA2A7FD26A20BFE_6029_DP,OC(=O)C1=C[N](N=C1C2=C(C=CC=C2F)F)[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,HJZBVBMFCGNILR-UHFFFAOYSA-N
-1E9910F7E60FEBFD_2E56FEE0C570ED34_6039_UN,CCC(C)(OCC(NC1=C(C=CC(=C1)C2=N[NH]C(=N2)C)C)=O)C#N,BKZMOBUDTBMPTO-UHFFFAOYSA-N
-2010ECCE6AAFF353_8F1B394C38F7D911_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=C(OCC)C=C(C=C3)N4CCN(C)CC4)F,OCOJANLYVVWDAK-UHFFFAOYSA-N
-201A6D6761A380C7_E5DFA320AA97EA32_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C(C(C)C)[N]3N=CN=C3N=C4)=O,SVWKVECLTTZEJH-MRXNPFEDSA-N
-20715CA7052BB85D_75743617BE7EDE54_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,OWAIRWKYHCMYHB-VQSBYGRUSA-N
-242A6096DC40A0A9_338C656655B439EB_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,WOAARELGOMXBMZ-UHFFFAOYSA-N
-25204E4FA78CC5AC_C83D5EAF6754B214_6029_UN,CC1CC(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,RGVVQYKOLAXVSN-UHFFFAOYSA-N
-26B9275827764290_75515BA378DEE813_6041_UN,OC(=O)CN1CCOC2=C1C=C(C=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,QTZPYADKHUGDTO-UHFFFAOYSA-N
-283574CDF124D314_85002A906E46667C_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,VUPWKRQFYFORSP-UHFFFAOYSA-N
-287B753C1014B912_BEAB49E05EDAB130_6029_UN,CC1=C(C(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O)C,RNBUTTOJXCETMW-UHFFFAOYSA-N
-29B01A53DD954D07_F9D567DBAD8398D4_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)[N](C(=C2)C)C3CNC3)=O,RVSOXQOAZWXDTN-UHFFFAOYSA-N
-2A4F938F5C5C953D_7CA9BAFDF836141E_6038_UN,C[C@H](NC(C1=CC=C(C(C)=O)[NH]1)=O)CN(C)CCCN(C)C,BRGPGGUMNAYECY-LBPRGKRZSA-N
-2A879033C657166C_58A3C1CA4BC8090E_6038_UN,CN(C)CC1CCN(CC1)C(=O)C2=CC(=C(C(=C2)NC(C3=N[NH]C(=C3)CC)=O)Cl)Cl,JUWCESBGHCZYMN-UHFFFAOYSA-N
-2A9C94308B2062E4_CA272E3CC90E78AC_6041_UN,FC1=C(C=C(C=C1)C2=NNC(C=C2)=O)NC3=C[N](C)N=C3C(=O)N4CCC4,OXQXALUSSYLKBG-UHFFFAOYSA-N
-2B038D625B2D9518_3CBD81EBD629106F_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=C(C)C=C(C=C3)OC4=C(C=CC=N4)C#N,JXNZCHZTPPBGOY-UHFFFAOYSA-N
-2BF791325112DF7C_A958DD92B78FFD32_6038_UN,CC(C)N1C(=NCC1)CNC(C2=CN=C(OCCN(C)C)C=C2)=O,YGCOBWMZEKDOKO-UHFFFAOYSA-N
-2C28DC8B21857D09_F9F2C085415E86A7_6027_UN,N(CC2(CC1=CC=CC=C1)CCCC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,DSANLCDFDWDCEF-UHFFFAOYSA-N
-2C514DC3B8C3C9CA_624555048A612DFD_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(N(C)C(=O)C)C=C2)=O,BXQHAHHDGUKKKY-LBPRGKRZSA-N
-2CCA7CC07CB0C25D_C96E5967EA12DB6B_6029_UN,C1CC(CCN1[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O)C3=CC=CC=C3,YLQFGRKBNXEWDU-UHFFFAOYSA-N
-2D6F4053637F27D7_CBA78FA3344E7BBF_6038_UN,CN2C(=C(COC(C1=C(C=CC(=C1)N(C)C)F)=O)C[N]3N=NN=C23)C,ASUTZYDPQDBHEM-UHFFFAOYSA-N
-2EA43DCC530ED347_4C3BCFE1AD274B91_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C4=CSC=C4,JSSIGXIXWDQGLD-UHFFFAOYSA-N
-2F38E4ED10980911_D2AA2664F675DAA5_6039_UN,O(C1(CC1)C2CC2)CC3=CC=C([S](C(C)C)(=O)=O)C=C3,HFUGRUYLESLJJP-UHFFFAOYSA-N
-2FF2E01C761D3CF9_1974228CA5FDCA10_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2Cl)C)(=O)=O)C3=CC=NC=C3,KKQATCZDDKXDIX-UHFFFAOYSA-N
-33FDEF2C86F7F377_E5F55AA99968CA3B_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,JQHOUEPYQJEWAJ-UHFFFAOYSA-N
-3430F999A6FFB3EB_8023AEAFEA303208_6029_UN,C1C=C(CN1[S](C2=C(CC)C=C(C=C2)F)(=O)=O)C3=CC=CC=C3,MWWFJKXQVRSWHZ-UHFFFAOYSA-N
-34C9118FFAFE297B_498A50007511DEE9_6028_UN,C1C=C(CN1[S](C2=NC=CC(=C2)C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,GKCDISUYCGJOGK-UHFFFAOYSA-N
-34C9118FFAFE297B_DE854C31B1547E6A_6029_UN,C1C=C(CN1[S](C2=NC=CC(=C2)C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,GKCDISUYCGJOGK-UHFFFAOYSA-N
-35DDFE33B6BF56FB_E955B02D1870A64B_6028_UN,CC1=C(C=CC=C1)C4(CN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CCCCC4,DDMWVHGITOSGKU-UHFFFAOYSA-N
-363B8A63D7EA9E18_74342BA4339C2B2A_6041_UN,CC(C)C1=NC(=NC(=N1)NC3=C(C2(C)CC2)C=CC=C3)N(C)C,KDRXSPKOHBEOGT-UHFFFAOYSA-N
-384730976A83F410_5D515A164D8B9820_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(C=C2)F)C)(=O)=O)C3=CC=CC=C3,KYXSPNLFYKNEHC-UHFFFAOYSA-N
-39C0F4681CCC14C7_B6603E3E0B936B5C_6038_UN,CCOC(=O)C1=C(C=N[NH]1)NC(C2(C(N(C)C)=O)CC2)=O,NVRQRZDFGDHLIT-UHFFFAOYSA-N
-39D24D9A4EF55359_534485E9EC849105_6028_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2)C)(=O)=O)C3=CSC=C3,MQNQNAZJTJRYFG-UHFFFAOYSA-N
-39ED53A766415A68_F9B4DC6009894134_6034_UN,CC1=C(C3=C(N1C[C@H](C2=N[NH]C(=N2)C)N)C=CC=C3)C(=O)CC#N,SAXZFAJKGKZKTB-CYBMUJFWSA-N
-3BC52679D8127743_6C75346D40251B88_6029_UN,COC1=CC(=CC=C1)CC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,BLMAOUPHDZPGMG-UHFFFAOYSA-N
-3C3ADA90CB313CAD_0EA9642C232580B0_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=N[N](C)C(=C3)C4CC4)=O,OAEQBONJHXPMQM-UHFFFAOYSA-N
-3C9C761454C58CE9_7902BCF2E76A1DCE_6041_DP,CC(C)C1=CC2=C(C=C1)N=CN=C2NC[C@@H]3C([C@H](O)C3)(C)C,ZPQGFJKRFNTOEB-CZUORRHYSA-N
-3D81AF582A3D5F6A_D310376C05DF3692_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)Cl)(=O)=O)C3=CN=CC=C3,VLVMHOMJDCBOLM-UHFFFAOYSA-N
-3E13B721B071F19A_467F8BF373A12063_6038_UN,N(C2=CC1=N[NH]C=C1C=C2)C(C(NO)CC3=CC=CC=C3)=O,KFCSCKSYDPLWGC-UHFFFAOYSA-N
-3EA6D3408A331501_2B2D6219AAB0AF07_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4[N](=O)=O)C)C,FOWXJXVRVTZGPU-UHFFFAOYSA-N
-3F44CACCCF29AF6A_D6E7D7D2FEE34CB0_6041_UN,CC2=C(C1=C(CCCC1=O)[N]2C3=CC=C(C=C3)C)NC4=C(C)[N](N=C4)C[Si](C)(C)C,DAQSDOHSYFQJHR-UHFFFAOYSA-N
-3F9D167E87A860E2_383480698B06D308_6028_UN,CC1=CC(=CC=C1)C4(CN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CCCC4,IGMLIFKWVVLDCU-UHFFFAOYSA-N
-4096CFD4656294D9_C04501F997606AEC_6041_UN,CC1=C(C=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F)[S](=O)O,YOSCAWSYGRQLMO-NSHDSACASA-N
-41C337FED0D66D24_04F05F3158357A68_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(C)C=C2)I)(=O)=O)C3=CC=CC=C3,LCZDWDGWWMOGTI-UHFFFAOYSA-N
-434EF52745DAB1D8_4FCC33D9FBF12284_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=NC=C[N]3C4=CC(=CC(=C4)C)C)(=O)=O,YMILJLIEMHXVNT-UHFFFAOYSA-N
-45B2174516B6D542_6718CAAB60222C4B_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)C2CC2)C(C)(CC3)C4=CC(=CS4)Br,GJKULWBUHSOBHV-UHFFFAOYSA-N
-46F699D7C22D4C5B_79D1FE1EE161101A_6038_UN,COC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NNC(=O)CC2,GDESZWKYANUBIE-UHFFFAOYSA-N
-47EC8093C9B08135_C2AABD3A2A7A050B_6034_UN,CC1=CC2=C(C=C1)N(C3=C2CC(CC3)=O)CC4=C(CC)N=C(C=C4)C(C)C,MEXYDHLZOIIYPA-UHFFFAOYSA-N
-4919F6AE2BC31426_06C07CA82CCE448F_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C=C3)S)C)(=O)=O,SIAXGBGJZRVPKQ-UHFFFAOYSA-N
-4C5C2672176B7926_104E6F222A73ABB6_6038_UN,N(C1=CC=C(C=C1)[N]2C=NC3=C2C=CC=C3)C(C(O)O)=O,VZLPANMGJSUODA-UHFFFAOYSA-N
-4D12122168FE00EA_D07C6BC58B8EF4FD_6029_UN,CC2CN(CC1=CC=CC=C1)CCC2CN[S](C3=CC=C(CO)C=C3)(=O)=O,AFPASXAZBHNGLX-UHFFFAOYSA-N
-4FA45F9D838F1301_873A2123579BCA74_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2F)[N]3C=CC=C3)C)(=O)=O)C4=CC=NC=C4,XYWUUQJXJYVUSL-UHFFFAOYSA-N
-4FC0B3FFA3DD65B3_FF650AF94E22AA31_6028_UN,N(C1=CC(=C(C=C1)N2CCCC2)F)[S](C5=NN=C([N]4N=C(C3=CC=C(OC)C=C3)C=C4)C=C5)(=O)=O,YZPXHEQMWCMZNW-UHFFFAOYSA-N
-50AED308DC26AE1A_7B7D8A58E4748FCD_6041_UN,CC4=NC1=C(C=C(C=C1C)N[C@H]2[C@H](C)CC3=C2C=C(C=C3)C)[NH]4,OTPNAMDKHSIJFB-BLVKFPJESA-N
-50DB9A1C8497691A_CDCD863317FF7579_6031_UN,CCC(=CC(=O)OCCN1C(=O)CNC1=O)C2=CC=C(C=C2)OC,VRNSAUMBTFOFOI-UHFFFAOYSA-N
-532653E73044813A_A0F2149EE80F2186_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CC(C)CN(C)C)=O,LPQLHSQTZCQXJB-UHFFFAOYSA-N
-555044DF9EB0C93B_2A4F02EC3D67852F_6029_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=NC=CC=C3,YCWTVJBAIXQLPS-UHFFFAOYSA-N
-555044DF9EB0C93B_F5A01909BE00F30F_6027_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=NC=CC=C3,YCWTVJBAIXQLPS-UHFFFAOYSA-N
-555044DF9EB0C93B_F5A01909BE00F30F_7015_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=NC=CC=C3,YCWTVJBAIXQLPS-UHFFFAOYSA-N
-55DC2D79B733D144_88700926D53DA894_6028_UN,N(CCCC1CCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,OJCGFHSIHXSYLR-UHFFFAOYSA-N
-5663B86D487C8C5B_EFA82814DE7BB207_7022_UN,C1(=C(N=CC=C1)F)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,VAPYJTIEDJMWKT-WUJWULDRSA-N
-57E243079EBC3121_AC3BB9504272727E_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,JSHLOZVZYJDXOL-UHFFFAOYSA-N
-595BCDF2FBDD7C73_0CD9EEE29C184B5C_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C2=CC=C(C=C2)CC3CC3)(=O)=O)CC4,CBKPAGZUDQNVQI-UHFFFAOYSA-N
-596C08211771B815_90236F0D93FF17CC_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=CN=C(C(C)(C)C)C=N3)(=O)=O,JTHFNDYOQSXPMA-UHFFFAOYSA-N
-5A3EFFD9A4931CFB_8E152A4BB95EADAB_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4)F,NAXUYKXXHVGJRJ-UHFFFAOYSA-N
-5A47AA08E48E9FBC_A839AAC6808E305A_6038_UN,N(C1=C(C=C(C=C1)C2=N[NH]C=N2)F)C(CCCCC(CC)C)=O,FSWWWDWVHIBIFH-UHFFFAOYSA-N
-5C358E4716292AA0_4A16B2BE7050D20C_6027_UN,CSC2CCC(CN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,WJLUYSIQVOSGNL-UHFFFAOYSA-N
-5CE536F93FF4D809_F59345BBD4784171_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)CC4,UUQSGOJQDMYQLB-UHFFFAOYSA-N
-5DD762CE2FA1C318_85B1C5C08CF36701_6029_DP,N(C1=CC=CC=C1)(C2=CC3=C(N=C2)C=CC=C3)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,LWBCLFLBHIPZIM-UHFFFAOYSA-N
-5E72444246627BD6_A991EF951E2D68A7_6041_UN,CC(C)C1=NC(=NC(=N1)NCCOC2=C(C(C)C)C=CC=C2)N(C)C,YQXBQEGPXULOAM-UHFFFAOYSA-N
-5E7742774BE92E2B_989C2046D54D05D0_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,BCNFSJLQSPUGNI-UHFFFAOYSA-N
-609FF77713F87D96_4EA46E12C8AAA107_6003_UN,O(CC2CC1(CC1F)C2)C3=CC=C([S](C(C)C)(=O)=O)C=C3,CTWLKWZTOIREJW-UHFFFAOYSA-N
-62D96F1FF1260830_9A91878C60E915FA_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,BYTRDHNOYXQSBE-UHFFFAOYSA-N
-64A10EC73CFDF5A1_BD60E4F4857D9228_6041_UN,CCC(=O)C2=C1OCCC1=CC(=C2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,UNHXJWBAHRLLIX-UHFFFAOYSA-N
-6606022015887FD9_E5F89D16B0240192_6029_UN,CN2CCC(CCN[S](C1=CC=C(CCC)C=C1)(=O)=O)CC2,IKVIDZNCIDRJSI-UHFFFAOYSA-N
-68E1F5C139DF80FA_353BA5F68ED4B02F_6028_UN,C1CC(CCN1[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O)C3=CSC=C3,TYTFSEFYDDMSRX-UHFFFAOYSA-N
-69A5FE3FB74537B3_DF977C01761F741B_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,QMFRCPYFYWQIGT-UHFFFAOYSA-N
-6C9E6E1CD12FC935_9D47191C9B820BBC_6029_UN,CC2=CCC(N[S](C1=CC=C(CCN(C)C)C=C1)(=O)=O)CC2,ZWZLBQRKUSIVGU-UHFFFAOYSA-N
-6D20199AA5A2CA6F_163E8BE972CB2436_6041_DP,CN(C1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(N(C)C)C=C3)C,LFWQYBQKQLXDJE-UHFFFAOYSA-N
-6D71B71F09C8F365_CA467D87C79330F7_6038_UN,N(C1=CC=C(C=C1)OC2CC(=O)N2)C(CCC(N(C)C)=O)=O,IBMNSONSYADCDF-UHFFFAOYSA-N
-6FE611F96DBB3DB3_9AB726EC9BCFF606_6041_UN,CC1=C(C=C(C=C1)C2=N[NH]C=C2NC3=C[N](C)N=C3C(=O)N4CCC4)C,GLIFZHFVHFPKKG-UHFFFAOYSA-N
-71D1843780AB337F_0E5A7814B109F44D_6029_UN,C1C=C(CN1[S](C2=C(C=C(C(C)C)C=C2)Cl)(=O)=O)C3=CN=CC=C3,HCDZFNXXTXFAPK-UHFFFAOYSA-N
-73E7DD39DE63ACA9_52563919C36B64F3_6041_UN,CC1=C(C=NC(=C1)NC2C(C)OC3=C2C=CC(=C3)F)[S](=O)O,UOFIBRHXOYTENK-UHFFFAOYSA-N
-74C54F998D48D0A1_B4A0F3F94D5CE21B_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,NSJYCBKYWDZAQN-GOSISDBHSA-N
-753E21B829D6BC4E_48A2264E5668EAC2_7019_UN,C(CCN1C(=O)CNC1=O)=CC3=C2OC(OC2=C(CN(C)C)C=C3)(F)F,MAQVBMHMVWKINA-UHFFFAOYSA-N
-75A2E3CF9A53B133_C1F0F8653C371A72_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCN(C)C)CC3)=O,QOZACXAWFUYNQG-UHFFFAOYSA-N
-76919BDE578D4278_31CF91BED2A4674D_6027_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,YGSGBQOIPSNEAN-UHFFFAOYSA-N
-76919BDE578D4278_31CF91BED2A4674D_7015_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,YGSGBQOIPSNEAN-UHFFFAOYSA-N
-770C051306B7E37A_4B85DFD71CD4BD0E_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C4(C3=NN=C(C)[N]3CC4)C)=O,FIHBIUDFRDLHFL-UHFFFAOYSA-N
-7738E1AC12D442F0_9F57526030529C98_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)(C)C)C=C2)[N](=O)=O)=O,VTKWXQOIMGFLAT-NSHDSACASA-N
-774CF1A391C03222_1BED66EC78A57EFF_6027_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=CC=C(C)C=C2)(=O)=O)CC3,WKJSWYAAIJSLHH-UHFFFAOYSA-N
-77AE85495155C708_5C3F9204ED2D5BFB_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OC3CC3,OXLPUPBEMMAPAI-UHFFFAOYSA-N
-7822247739943A56_F814CB4582BF6362_6029_UN,N(C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)[S](C3=NC=C(C=C3)C4CC4)(=O)=O,JLCBGEGPDXNUEN-UHFFFAOYSA-N
-784EFE19A3CBAB81_6A30E29786BD7F63_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2C)F)(=O)=O)C3=CN=CC=C3,WASRAIXQMJMQEG-UHFFFAOYSA-N
-79D7D8421DC8196C_E5CA22F3FEC9A69A_6041_UN,CC1=C(C4=C(C(=C1)NC[C@@H]2[C@H](N(C)C(C2)=O)C3=C([N](N=C3C)C)C)C=CC=N4)C,UIIJSSUAUMXDEB-HXOBKFHXSA-N
-7A8E617CC8ECDCDB_CA60FBD32785D39C_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=CN=CC=C4,MTHPQSMMCMJLPZ-UHFFFAOYSA-N
-7B7C8756280DA755_775347DB8C7828FC_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NC=C(C2=CC=C(C)C=C2)[N]3C4=CC=CC=C4)(=O)=O,FDNJALAOUBMAPQ-UHFFFAOYSA-N
-7BE565AAB79B5F38_C513B627ECAA91E4_7015_UN,CSC2CCC(CN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,HAPHASGOENHLKK-UHFFFAOYSA-N
-7C9BC9A24C95457B_285353CF6920484F_6029_UN,N(CC1(CC1)C2=CC(=CC=C2)Cl)[S](C3=C(O)C(=CC=C3)Cl)(=O)=O,XUITZIKXSONEEX-UHFFFAOYSA-N
-7D20E15B87531E3B_6343C4C1C0A5824D_6029_DP,N1CC2(C1)CC(C2)(CN[S](C3=C(C)C=CC=C3)(=O)=O)C4=CC=CC=C4,HMWAIYLHJZSFEX-UHFFFAOYSA-N
-7D37B9548D00D665_663C3C3974EFD107_6038_UN,OC1=NC(=NO1)C2=CC=C(C=C2)OC(C3=CN(CC)C4=C(C3=O)C=C(C(=C4)N5CCN(CC5)C(=O)C)F)=O,QCGCSJZNZQYXGD-UHFFFAOYSA-N
-7F34AA21F0F8C366_4CE58AAEF0F672B9_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@H](C(C)(C)S)C(=O)O,ADVDXDYFIMWUQY-NSHDSACASA-N
-7F759747CD4D0836_BC1D5F6DDA08CB36_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=C(C(C)O)C=CC=C3)(=O)=O,UKDZIWRUSZOTTI-UHFFFAOYSA-N
-7FC77E3DB7C90998_963B76589797FD97_6029_UN,CN1CCC(CC1)OC2=NC=C(C=C2)N[S](C3=CC=CC4=C(C)C=CC=C34)(=O)=O,AXUWTZPIYURJCM-UHFFFAOYSA-N
-813D061B0427A8F0_1117A02E7EBC4789_6038_UN,CC(C)[N]2C=C(CC(C)OC(CCC1=CN=C(N(C)C)C=C1)=O)N=N2,FPYBLNSMXWQNIS-UHFFFAOYSA-N
-81D8903793A342C0_61BC717DB0DF2BBF_6028_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,KSLRHIGBFYISFU-UHFFFAOYSA-N
-8296C95BC291FEA7_22B1E3A4BFC6A9EF_6029_UN,CC1=CC=C(C=C1)C4(N[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)CCCC4,GAOWKWKHSZHABO-UHFFFAOYSA-N
-849DFBE81600B985_134728E2AB6BE133_6041_UN,CC1=C(C(=NC=C1)N[C@H]2C3=C(OCC2)C(=CC=C3F)F)[S](=O)O,CKPYFPAVKQGGCD-LLVKDONJSA-N
-86DAD9FDACF933B2_D801DFF5A19C636A_6027_UN,COC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YLOJKVWMQYCJHC-UHFFFAOYSA-N
-86DAD9FDACF933B2_E57B88D8E95F0180_6029_UN,COC1=C(C=CC=C1)CC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YLOJKVWMQYCJHC-UHFFFAOYSA-N
-8702DF5434EF3B98_A11799E5D4720C41_7015_UN,C1CC(CCN1[S](C2=CC=CC(=C2C)C)(=O)=O)C3=CC=NC=C3,KNKNAQGEXDVCFC-UHFFFAOYSA-N
-8702DF5434EF3B98_F7FA6B350B415B47_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2C)C)(=O)=O)C3=CC=NC=C3,KNKNAQGEXDVCFC-UHFFFAOYSA-N
-886F198472F90694_31C0CF8DF4B62F86_7015_UN,N(C1=NC=C(C=C1)OC2=CC=C(C=C2)C#N)[S](=O)(=O)C3=CC4=C(C=C3)OCCC4,HKACSARXTXMHQC-UHFFFAOYSA-N
-89642A191F4C4088_344BE445FF967CF0_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,IMSXDPYTEZRRFK-UHFFFAOYSA-N
-8C51E2C53E253B23_47E1D1E13398340F_6038_UN,CC(CNC(CCCC1(C)N=N1)=O)C2=CN=C(C=C2)N(C)C,NSIVHHOPVNVNTL-UHFFFAOYSA-N
-8C844962AAEF35BD_50C443FE8764C892_6038_UN,CC(NC([C@@H](C)OCCN(C)C)=O)C1=C([NH]N=C1C)C,BPWLCLJEJTZXTD-FFFFSGIJSA-N
-8D5FD8BCF2C7AA78_6D3676DBD74BFD90_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NC3=C(C)C=C(C=C3)C(=O)N4CCCC4,UXVMEYSFUXZOSE-UHFFFAOYSA-N
-8D99F44FA9C544A7_2CEEFF634DC050B9_6028_UN,N(C1=CC(=C(C=C1)N2CCCC2)Cl)[S](C5=NN=C([N]4N=C(C3=CC=C(OC)C=C3)C=C4)C=C5)(=O)=O,PUIMVQSWEJPNJI-UHFFFAOYSA-N
-8EEFE8D43D433050_7204E823F1A84D10_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(C(CC)=O)CC3)=O,ROIQCWJBEADWGA-UHFFFAOYSA-N
-8F329D950382085B_DC6C862E921C9D13_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)C=NC(=N3)C4=N[N](C=C4)C)=O,LWQCFFXMWSFKPK-MRXNPFEDSA-N
-8FD740C49E333951_5454664D22E5EFDC_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC3=C(C=CC=C3)OC4=C(C=CC=N4)C#N,UCTJABUTLMYMNX-UHFFFAOYSA-N
-93C68E88509DB4E4_85B6C474C8FB5418_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,RGZRVXULJPOSNA-UHFFFAOYSA-N
-93D6FF5D3BB8757A_1B4FC46437496AD8_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)[S](=O)(=O)O,WDKHFMUFXCDRHZ-UHFFFAOYSA-N
-93DC9B55AF7215DF_8D5F0F7530657BA0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(N(C)C)C=C2)=O,LPHHRVYQAHSXMZ-NSHDSACASA-N
-93E48651C5D1D040_E7B0BE5112774F8D_6028_UN,CC1=CC(=CC=C1)C4(CN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CCCCC4,WHWUASPUZRTNCA-UHFFFAOYSA-N
-94B04472F0DFC487_506A3EEF4DD48ACB_6038_UN,CC[C@H](C)[C@H](NC(C2(OC1=C[N](C)N=C1)CC2)=O)CN(C)C,SMFWNTDHGYGFDE-GXTWGEPZSA-N
-94C216C8B490BA36_B545FFA043928A77_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3CC34CCC5=C4C=CC(=C5)C6=CN=CC=C6,KRBHNRIGTMPBJX-UHFFFAOYSA-N
-9506695E62D010B7_4F51099BD4C25B27_6029_UN,C1CC(CCN1[S](C2=CC(=C(C)C=C2C)C)(=O)=O)C3=CN=CC=C3,SIGPUHKMNBQBOQ-UHFFFAOYSA-N
-954B6D5242ED2DDF_59FD33C5364FE9A7_6029_UN,C1C=C(CN1[S](C2=C(CC(C)O)C=CC=C2F)(=O)=O)C3=CN=CC=C3,LJBZUMSETAYUNY-UHFFFAOYSA-N
-9604927E0027B298_3C4FB92E19C051AD_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)[C@H](C)O)F)(=O)=O,VQVDRONUNUZADT-AWEZNQCLSA-N
-97045017CEA6B349_2BBB2284B6A389E4_6041_DP,CC1=C(C=C(C(=C1)NC3=CC=C(N2CCNCC2)C=C3)[N](=O)=O)C,ZDLRIIFEZXFCOE-UHFFFAOYSA-N
-97D4D71D0BF0CE0E_455110D82BCBCEF8_6029_UN,ClC1=CC(=C(C=C1)Cl)C2=N[N](C=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,SQWFXBDXXMDUMC-UHFFFAOYSA-N
-97D938EF0EFDB0B0_619C677D8EFA148B_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C)C)(=O)=O)C3=CN=CC=C3,MWYWCLGSKPCMSU-UHFFFAOYSA-N
-97D938EF0EFDB0B0_D21417E1ECA85E6D_6028_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C)C)(=O)=O)C3=CN=CC=C3,MWYWCLGSKPCMSU-UHFFFAOYSA-N
-98388F951296D305_4E00018E2619F60B_6029_UN,C1CC(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=NC=CC=C4,DODCJAXCEVMMRY-UHFFFAOYSA-N
-9AA6884881795C83_CD3E805BFCE83C2B_6038_UN,CC[C@H](C)[C@H](NC(C1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,LCGUYTJAXNEWCY-GXFFZTMASA-N
-9C37A2A20D854E40_985016067DB78C8F_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,BOIJDULULOMEGU-SFHVURJKSA-N
-9E2E4DE123084D49_83C52A0B3689EE05_6027_DP,N1CCC(CC1)C(CN[S](C2=C(C)C=CC=C2C)(=O)=O)C3=CC=CC=C3,KPSRKEDTOWYYHX-UHFFFAOYSA-N
-9ED84F63855EE588_6FC1D68A2A9F91C7_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,XHOWGLLRWHKZIK-UHFFFAOYSA-N
-9FEFB1AB8F6B26B1_AFBBBF824EA00D5A_6029_UN,C1CC(CN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,NETUECFRMKCTTM-UHFFFAOYSA-N
-A1ECDAFC07991F71_5B829AF84C4E8120_2267_UN,O[P](=O)(O)OCC#CC2=CC=C(C1=N[NH]C(=N1)C)C=C2,VMAWZVJRUHGCNH-UHFFFAOYSA-N
-A48BB4DB058F0B9B_DBA5FF45465DE4D4_6038_UN,CCOC(=O)[C@@H](NC(C1(C(N(C)C)=O)CC1)=O)CC2=C[NH]C=N2,AZMVLCAPRLQCMA-NSHDSACASA-N
-A5F26384EE4AA339_4C995AF106EEE6FB_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C4(C3=NN=C(C)[N]3CC4)C)=O,XVMJOYSLFNVRKM-UHFFFAOYSA-N
-A663805DAED31C81_AB66C857C6ED408A_6041_UN,CC(=O)N1CC[N]2N=CC(=C12)NC3=C(CCC)[N](N=C3)C4=C(C=C(C(=C4)F)OC)F,GSKZYXALKYZJJR-UHFFFAOYSA-N
-A8B18C21DE2F351A_269E45B402FEB810_6029_UN,C1C=C(CN1[S](C2=CC(=CC(=N2)C#N)C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,JULDCSSNQNUODU-UHFFFAOYSA-N
-A8F84AC0886C1F07_5DEE0374E78582C3_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OC[C@@H](N)CC1=C[NH]C=N1)C,VBQYKOJFHYGOSQ-VIFPVBQESA-N
-A967F3C09607006E_274FB629FC5AB450_6038_UN,N(C1=CC2=C(N=C1)[NH]C=C2)C(C(NO)CC3=CC=CC=C3)=O,CIPPEJBLXCJSMC-UHFFFAOYSA-N
-AB710F7161979FC9_CB30FCAD9149F094_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CN=C(NC(C(C)(C)C)=O)C=C2)=O,VHZMLKJVKRHUNK-JTQLQIEISA-N
-AEF27086A148504E_2A60F4E66633A52A_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=N[NH]C(=C3)CC)=O,IZEHEKMVEGRMLN-UHFFFAOYSA-N
-B0AFA357D6E71753_9AA5F7BF51E2352F_6038_UN,N(C1=C(C=CC=C1)C2=NN=N[N]2C3CC3)C(C4(ON=C(C)C4)C)=O,VAVDRPXEYIAUEH-UHFFFAOYSA-N
-B1C36FE8CD9465EB_06E9332EE5640371_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,UPEAFFOFGSAKTJ-UHFFFAOYSA-N
-B274A8AA4604D947_CF73C97F05480324_6029_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O,WVXALUWBBHGYHT-UHFFFAOYSA-N
-B2E1911D4063BC3D_B6682FB3AF80B5E7_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(C=C2)I)C)(=O)=O)C3=CC=CC=C3,SIQXRXZNSOVPOD-UHFFFAOYSA-N
-B36427A698E25CC2_09C1E7DBB01A6D7A_6027_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,MIXPZIPKJKZZSJ-UHFFFAOYSA-N
-B58A1FB2E09DA477_235430F0ECA6EC2B_6041_UN,O=[N](=O)C1=C(C=CC(=C1)F)NCC3=CN=C(N2CCC(C)CC2)C=C3,GIRJAZXHTNUHCY-UHFFFAOYSA-N
-B6493485F47099D7_BB807EA4B72AC991_6038_DP,CN3C(=O)C1=C(C(=CC=C1)NC(C(C)=C2CNC2)=O)C3=O,PFFUIUFTUCQDMM-UHFFFAOYSA-N
-B6FB242FC033DD7C_A0CD5E5903F2CEB0_6038_DP,CC(=O)C3=C(OC(C1=CCNC1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,SODKZAJNJQSQQR-UHFFFAOYSA-N
-B72F3C8F76CEDB19_48330191CD90E19E_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)C#N)C=C3)(=O)=O,AKNWOZCAVIIJLF-UHFFFAOYSA-N
-B84EDD65F611D3D9_214730C99A942DE1_6028_UN,C1C=C(CN1[S](C2=CC(=NC=C2)C)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,ZDAQKMYWUPXXFD-UHFFFAOYSA-N
-B8D74C783E0D26BE_008A4FEAC5070603_6029_UN,C1C=C(CN1[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,BAYORTKCHCGDQL-UHFFFAOYSA-N
-B9231D07261006AB_47658A361947AB45_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)C)(=O)=O,AYCHBONZUTUVBB-UHFFFAOYSA-N
-BA022C9D7EB2D97B_4E460215C6BE12FC_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,ZPLXKUUVPKMKIV-UHFFFAOYSA-N
-BACAEAE27AFC516C_95768DA6A9EC0F23_6041_UN,SC1=NCC(=O)N1CC2=C(C=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,JBRRUFSETFZAFN-UHFFFAOYSA-N
-BBD93EE619A6A484_A142BC177ABC53B5_6029_UN,C1C(CN1[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O)[N]4C=CC=C4,CYKQOVQRIZDKHY-UHFFFAOYSA-N
-BDC86F1A30A920A5_E4F3B8526E1B18FF_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C(C)[N]3C=NN=C3N=C4)=O,PJDONXVPNBLCDP-HNNXBMFYSA-N
-BF5AA8472C5C36DC_86666AD681A4E3CE_6029_UN,CC1(CC(C1)N[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O)C4=CC=CC=C4,VVHLKXZVRBXLAA-UHFFFAOYSA-N
-C0B0EF6FF070897B_8AA4D0326264938E_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2F)[N]3C=CC=C3)C)(=O)=O)C4=NC=CC=C4,VEIUXMBZJGXDKN-UHFFFAOYSA-N
-C2A3D013A4995784_50FFAD5D3BE208D4_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=CN=CC(=C4)C(O)(O)C(F)(F)F)(=O)=O,YIMKINYVBVUYLC-UHFFFAOYSA-N
-C376BC27A3C9F44D_6D290B98CAFCEC4F_6038_UN,CC[C@H](C)[C@H](NC(C1=N[N](N=C1C)C2=C(C=C(C=C2)C)C)=O)CN(C)C,VDLKITOVKQXUDT-WMLDXEAASA-N
-C3907BFC5DEECB56_513A11D3911F72D6_6029_UN,N#CC1=NC=CC(=C1)N2CCN(CC2)[S](C3=CN=CC(=C3)C(O)(O)C(F)(F)F)(=O)=O,YORYFANCYYTLHO-UHFFFAOYSA-N
-C7507F05C5427820_937227A56D94FBFF_6041_UN,C1(=CC2=C(C=C1)[N](CC#C)C=C2)NC3=C(C)C=C(C=C3)C(=O)N4CCCC4,SNOJSVBUAVVOSN-UHFFFAOYSA-N
-C946FFC104AC02D8_1D8A15CE449A6DFD_6029_UN,N(C1(CC1)C2CCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,SAGRHUMRTWSMSO-UHFFFAOYSA-N
-CC2B1EEDB3663449_BEB9AF96A0AB7748_6029_UN,CN1CCC(CC1)OC2=NC=CC(=C2)N[S](C3=CC=CC4=C(C)C=CC=C34)(=O)=O,UPQXUUZIQFXJLS-UHFFFAOYSA-N
-CF4C7166638D12A1_6EFB5F4F40D72094_6043_UN,C1(=CC(=CC=C1)OC2CCCCC2)N[S](C3=CC=CC(=C3Cl)C)(=O)=O,HMLDTYOOBYJYJI-UHFFFAOYSA-N
-D0959E4FFB6DE652_72F1A5C1BF552D40_6029_UN,C1C=C(CN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,CQYPQGPGTJYMCE-UHFFFAOYSA-N
-D0D70FBC2A2B6327_F149CE2C6A43D7D3_6031_UN,O(C(=O)C=CC1=C(C(=CC=C1)Cl)Cl)CCCN2C(=O)CNC2=O,DHFXVIHSXWXOQR-UHFFFAOYSA-N
-D293E4B7E46B61E5_D8E0812CB46D4FD0_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)C=NC(=N3)C4=NN=C[NH]4)=O,ORYYPEHKEXAMQQ-AWEZNQCLSA-N
-D2BDB476ED2737FE_9D57A245F5404004_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,QZHHCQDNFLJPDJ-SFHVURJKSA-N
-D302F834196CB5A2_38B2CC3EFC017E2F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CN=CC4=C3[N](C)C=N4)=O,BDVZFJSZZBZJAP-HNNXBMFYSA-N
-D406928A95DDF0D0_D3D5845E1C675AC8_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O,DKZHZDZUCSKFAS-UHFFFAOYSA-N
-D4B561826D9E42D0_49BE8E702CBFA893_7022_UN,C1(=C(N=CC=C1)Br)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,HGMMNECLYVIUMK-WUJWULDRSA-N
-D54ABB5EBEB73106_2CC5075D7C8FF6D5_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,RZQUXDMBGCWZFM-KRWDZBQOSA-N
-D5E80A785F40140B_013276FFCBAC4C3C_6038_DP,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CC3(OC)CNC3)=O,NOFHBGVRPZYCOW-UHFFFAOYSA-N
-D6D1D20441B18839_B22AC772CE545C41_6038_UN,CCC1=CC(=CC(=C1)NC(=O)C3=C2[NH]C4=C(C2=CC=C3)CCC4)CC,KAANEIRTYTXRMV-UHFFFAOYSA-N
-D818FD0BF35BE89A_BEC0A922485DF968_6029_UN,CC1=C(C(=CC=C1)C)OC2CCN(CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,ISVOMDOAEHACHR-UHFFFAOYSA-N
-D87BB48EF045EC7F_E50554B915C35AFA_6028_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,QHYAMUXYGXDFKZ-UHFFFAOYSA-N
-DA30FF6EE5510928_7192FA90F3DAFC46_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)[C@H](C)O)Cl)(=O)=O,CWGQHAMTQOMNCQ-AWEZNQCLSA-N
-DA4F7B3ADB0B24EE_E94CEACE4FFE4177_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,SKCFYAPNRCJXJW-UHFFFAOYSA-N
-DC908DB58D15029C_069581F463F1E75E_6003_UN,C[C@H](OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3CC3,MXOLZHHPFFLDBI-JTQLQIEISA-N
-DEF1A269BBABA948_D602A463C7408268_6027_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,VUYRGMNCJRTUNI-UHFFFAOYSA-N
-DF88BD08CF54A86E_9360D4E9C0D62C86_6038_UN,CCC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)[NH]C4=C3CCCC4)CC,BVKMTGBIJCWABE-UHFFFAOYSA-N
-E0E572A6C9A6B0ED_5F541B2EB3E2B05C_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CCC(N)(CC3)C4=NC=CC=N4,UHZUBSWNXVSPHF-UHFFFAOYSA-N
-E33594B66236601D_130B712684106740_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4=CC(=C(C=C4)F)C(CCCC)=O,INFFUOMUUMFZIQ-UHFFFAOYSA-N
-E48BCDEF72A08B78_D46EEED05EB34365_6027_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CN=CC=C3,CPVPLSJUFXUUQP-UHFFFAOYSA-N
-E48BCDEF72A08B78_D46EEED05EB34365_7015_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2C)C)(=O)=O)C3=CN=CC=C3,CPVPLSJUFXUUQP-UHFFFAOYSA-N
-E56ED817FBF3CDB6_D5AF8BE81425D785_6029_UN,C1CC(CCN1[S](C2=C(CC(C)O)C=CC=C2F)(=O)=O)C3=CC=NC=C3,AUGWWMREUXDJNJ-UHFFFAOYSA-N
-E5FFFA9952A661BC_7B438EB09C0C9CE0_6041_UN,C[N]1C=NC2=C1C=NC(=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,PIWPOWMRGSJFEY-ONGXEEELSA-N
-E7C160A56E0E7268_14898891A6E925AD_6041_UN,COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)C#C[Si](C)(C)C,ITKUEWCHPXEBOL-UHFFFAOYSA-N
-E9F8559498E48291_8844A7827087EA73_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,ZHXYDVJCPZVEDO-UHFFFAOYSA-N
-EBF735044A4E393B_4DCC61B55BB6FD1B_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C)C)(=O)=O)C3=CC=NC=C3,MHXXFAGMXYCYSQ-UHFFFAOYSA-N
-EBF735044A4E393B_FE44112939E4B7FD_6028_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C)C)(=O)=O)C3=CC=NC=C3,MHXXFAGMXYCYSQ-UHFFFAOYSA-N
-ED5BE8CC7D8B2216_05B3B5443AE917DC_6029_DP,N(C1=C[N](N=C1)C2=C(C=CC=N2)C#N)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,MFSMHYWFBFDLTH-UHFFFAOYSA-N
-ED892C2228C448DD_EFF0946289BF4517_6041_DP,CC(C)[N]1C=NC2=C1C=CN=C2N[C@@H]3CN[C@H](C(OC)=O)C3,NIRDTBIMARZZAI-QWRGUYRKSA-N
-ED8E8B83A98C4A0E_98236A7440BE8E65_6028_UN,C1CC(CCN1[S](C2=C(C=C(C)C=C2)C)(=O)=O)C3=CC=NC=C3,LRGNASMVUVQKFY-UHFFFAOYSA-N
-EDA2404D82D4EEDB_A56CDA0B4027E77D_6038_DP,CN3C(=O)C1=C(C=C(C=C1)NC(C(C)=C2CNC2)=O)C3=O,LPCRAVPKORQHPC-UHFFFAOYSA-N
-EDAEF70432118982_A455B5E4D8664252_6028_UN,CC1=CC(=CC=C1)C4(N[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CCCC4,URGARYNEYOWCKL-UHFFFAOYSA-N
-EDB50422574D2CE4_E4A73F398CF98E5D_6036_UN,C(C1(CC1)C2=CN=C(C=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,JXYYCZCVBADBBS-UHFFFAOYSA-N
-EE5B2DE713082096_77014E2066CEC98E_6028_UN,CN2CCC(CCN[S](C1=CC=C(C(C)(C)C)C=C1)(=O)=O)CC2,RLOYPXYHLPGDQU-UHFFFAOYSA-N
-EFB6AE06639E9092_890F5B3DAE62ECFF_6041_UN,ONC(=O)C1=CN=C(C=C1)NCC3=CC=C(C2=CC=CC(=C2)C)C=C3,CWMBVEBOQKOKBI-UHFFFAOYSA-N
-F035FB2C8995EDB9_C7024B5913FAB166_6038_UN,N(C1=CC=C(C=C1)C3=C2C=CC=CC2=NC=C3)C(C(O)O)=O,QNGULDGDDXJBGH-UHFFFAOYSA-N
-F0B2C2F64834A14B_2EFD51FEE68F9ABE_6029_UN,N(C1C=CCC1)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,HRYUUKGXORBJIE-UHFFFAOYSA-N
-F2CE8D3F727817AF_5C22A27EFF2AA46A_6038_DP,CN2CCN(CC1=CC=C(C=C1)CNC(C(NC)CC(C)(C)C)=O)C2=O,CJXJFFPZJONNHC-UHFFFAOYSA-N
-F66EA01C4D952541_827A55C452FD9B55_6038_UN,CC1=C(C(=CC(=C1)[N](=O)=O)C)NC(=O)C2=NNC(=O)CC2,MFHJSGPZKXMESP-UHFFFAOYSA-N
-F6A4144CF4D6C081_37C6B986DF550699_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3C(CC)(CC)C(C3)OC,ZYFUKDPBPNOGSY-UHFFFAOYSA-N
-F76943C24A38DBAD_FBC08DD8432F2F9B_7022_UN,CCOC1=CC(=C(C=C1)NC(=O)N2C(=O)C=CC2=O)F,WQGJGMBDMPLEKZ-UHFFFAOYSA-N
-F7A197B56007B52D_2F1FB7D280379F98_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=CC(=C3)N(C4=CC=NC(=N4)OC)C)C)(=O)=O,UAGFYXMLVKQUOQ-UHFFFAOYSA-N
-F94096BD38826B8B_CA8287C38E7A5244_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=C(CC(C)C)N=CC=C2)N(C)C,DILXEQPANBZIOG-UHFFFAOYSA-N
-F96FF897C0288113_F286B9CCE975EAE1_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=CC(=CC(=C4)C)C)(=O)=O,DZKRINSTMWDQSQ-UHFFFAOYSA-N
-FC132CE682FCE14C_AFBAF57204E22A28_6029_UN,ClC1=CC2=C(C=C1)C(=CC=N2)N3CCN(CC3)[S](C4=CN=C(C(C)(C)C)C=N4)(=O)=O,NTXWTADAKPIENF-UHFFFAOYSA-N
-FC760B386A0C5852_B48471424DB534E8_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC(=C(C)C=C3C)C)(=O)=O,URRUKNAYNLTUGS-UHFFFAOYSA-N
-0023899C32B04698_01A416F1A8F8788E_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)C3=C(C=CC=C3)I,MKLVSNKJUVQWCM-UHFFFAOYSA-N
-0092DE3E8E5AF487_CD5565497949A25D_6041_UN,FC1=C(C=C(C=C1)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C)N=C=O,WGPSUWMNYDQZHL-PKHIMPSTSA-N
-01498B1CEDE698DA_78DFC3E8608E178B_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=CC(=C(N3CCN(C)CC3)C=C4)[N](=O)=O)=O,NTCWTJUEKBZQRW-UHFFFAOYSA-N
-064755FE307AAD76_C6DD7A8C28076B94_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C(CN(C)C)=C)=O)C,RQIXISXITYCOON-UHFFFAOYSA-N
-0B6800B5B66BBA58_F6FF5675E9BB14AA_6006_DP,C1(=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCC3)C4=CC=CC(=C4)C(O)=O,YICJXBLKMFLRFL-UHFFFAOYSA-N
-0C000BE57D687927_05ED07E86112ED77_6003_UN,O(CCCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2Cl)F,ZGVBFNOFFDZXDC-UHFFFAOYSA-N
-0C213366F92B0136_F76D5884269D41B0_7017_UN,N6([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCN(C3=NC4=C(C(=O)N3)C(=CS4)C5=CC=CC=C5)CC6,MYPUWWVCHRVAJF-UHFFFAOYSA-N
-0CD696F5E307B0E8_1C64B7DEB737ECDE_6038_UN,CC(=O)C3=C(OC(C[N]1N=C(C(OC)=O)C=C1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,WKCJOPHEKILZFO-UHFFFAOYSA-N
-0DBD448D302AC419_D37388B2738377FA_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,YOUXLWLCIVYUPA-UHFFFAOYSA-N
-0DF0A96E29AEF57A_4B82D03317F083EB_6038_UN,CN(C)CC(NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C3=CC=C(C=C3)F,AYOUEFURNHKQEH-UHFFFAOYSA-N
-0E555FFD7DF13A4A_3C52C8A8106CED34_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,CQYAGDLSTOIFFW-UHFFFAOYSA-N
-0FE1471A22FAF63F_E271064598CF919C_6041_DP,CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)NC3=C(N2CCNCC2=O)C=CC=C3,OYBGBSOILSHTPL-UHFFFAOYSA-N
-100F13FFA9F666D4_03580F668AB133AF_6039_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)CC(NC3=C(C(OCC)=O)C=CS3)=O,VSNNZWNBEKSSPP-UHFFFAOYSA-N
-110405F62BF5AC2A_BDF71843C1160059_6029_UN,N(CC1(CC1)SC2=CC=CC=C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O,IAQCGHGOJDZMBR-UHFFFAOYSA-N
-14CEA0EA47B28ED7_A48B195657292CF7_6038_UN,CN(C)C(=O)C1=CC(=C(C=C1)C)NC(=O)C2=NNC(=O)CC2,NRFPMQPIWSSJCV-UHFFFAOYSA-N
-15534056F7A30911_611BE850B731F8E2_6029_UN,N(C1=C[N](N=C1)C2=NC3=C(N=C2)C=CC=C3)[S](C4=CC=CC(=C4)N5CC(O)C5)(=O)=O,AOZDUHODCYHBJM-UHFFFAOYSA-N
-16EF8CB46468118A_70CC4832A568B792_6029_UN,OC(=O)C1=C[N](N=C1C2=C(C=CC=C2F)F)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,BNERWPGOQNDRIB-UHFFFAOYSA-N
-1707F24C3AF23859_0C01F7E234B5DA1A_6041_UN,C1(=NC=CC(=C1)C(=O)C2=CN=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,AIUDYZPONLZAPK-UHFFFAOYSA-N
-17EA867F34B2B575_4802D5221E9A77AA_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3CCN(C)CC3)CC4=CN=CC=C4,QOOOZWMIQCUGBR-UHFFFAOYSA-N
-190B1E1A0A1B877C_AC77740DC1F18B69_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)CCC(O)(CC3)C4=NC=C(C=C4)Br,XQJGJQPEHKQYLV-UHFFFAOYSA-N
-191CC4D02702BE2C_17E71A27CF1284F8_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,CHUFLFXCXWRSCP-UHFFFAOYSA-N
-19E62AF58A207923_4D1989E4B0C9FDC8_6026_UN,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CC4,NRJYGFQBYZVSKM-UHFFFAOYSA-N
-1C3B96C606E8CBAA_10D3F09FDDA612E9_6038_DP,CN(C)C(=O)C1=C(C=CC(=C1)NC(C2CN(C)C(CN2)=O)=O)C,LINMJOGLXJVAGG-UHFFFAOYSA-N
-1C42438F64C5BFB8_9097B300B283A070_6029_UN,C1CN(CCN1[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,IPSNEGTUBNPRNL-UHFFFAOYSA-N
-1C5EEC9111D3E181_5267DCA36F6D4ACC_6033_UN,O(C(=O)CN1C(=O)CNC1=O)CC(C(OC)=O)=CC2=CC(=C(C=C2)F)F,ZDMKGVJYGNSERL-UHFFFAOYSA-N
-1C9C28C84B441BCB_7C0D63EACC1D0AA2_6039_UN,CC(=O)C3=C(OCCCN1C(=O)CNC1=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,CQZRSGMCYAHFDZ-UHFFFAOYSA-N
-1C9E01074E3C8CE9_F92AFE3CBB73F10E_6029_UN,C1CN(CCN(C1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O)C4=NN=C(C=C4)C5=CC=CC=C5,QUXLIDUJBHZZTG-UHFFFAOYSA-N
-1D19269D0BD36328_1D9946093C12FBD7_6036_UN,C1(CCN(CC1)C2=NC=C(C=C2)C#N)N([S](C)(=O)=O)C3=CC(=CC=C3)Br,LJXUTBLPRPHBFY-UHFFFAOYSA-N
-218AF7FBD8C4EBCC_8A0BA8F26AB9BFF9_6041_UN,CSC(C(=O)O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C4=NC3=C(C=CC=C3)O4,USNOXKNYDZOARP-UHFFFAOYSA-N
-232208278028830D_06CEBB41A83A1CDF_6038_UN,CCN1CCN(CC1)C(=O)CNC(C(=CC2=CC(=C(OC)C=C2)F)C)=O,GDQLLLLQILGGRZ-UHFFFAOYSA-N
-233880F9569B7A2F_1E194A896F0DA4C4_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)C(CC)O)(=O)=O,AQSIJHWOVDPZQE-UHFFFAOYSA-N
-23D284A29D84860F_CBDD419257F0A06E_6029_UN,CCC1(COC1)N2CCN(CC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,WJYBWOYDFAYMNQ-UHFFFAOYSA-N
-23DECC3DA67AEC91_AF1A0987316D09C1_6026_UN,CC(C)(C)[Si](C)(C)[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N3CCN(CC3)C4=NN=CC=C4,RNOKOYMNCUPZTM-UHFFFAOYSA-N
-240461DE5DFF0C8C_72BEF6E5D7125470_6029_UN,OC1=C(C=C(C=C1)Cl)N2CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,WZFLAVHCIQHHIE-UHFFFAOYSA-N
-255363EF055FA9D4_0E04D9D61D291599_6041_UN,C1(=CC=C(C=C1)CCN=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,ARIGSLPHMWKDHT-BBRMVZONSA-N
-265A472350C85721_1B628BF5FC4962C2_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)NCC2(CCN(C)CC2)C3=CC=CC=C3)C,RSEJWKMOWOMMHG-UHFFFAOYSA-N
-2788686CD96DE6FA_CA3924C5DC7B8D84_6038_UN,O(CC(CC1=CC=CC=C1)C#N)C(C=C[P](CC)(=O)O)=O,VRDJCWJNYCQJOO-UHFFFAOYSA-N
-292F69E07CCB11A8_F81BD5DF61B5195E_6038_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OC(C2(C(OC)=O)CC2)=O,MZCQBFKRVHSXNW-UHFFFAOYSA-N
-2BE7E308858B393C_CB75992E683E1774_6041_DP,FC1=C(C=CC(=C1)N2C(=O)NC(=O)C2=O)NC(C(OC)=O)C3CNC3,CAJTZYJFFMUBIH-UHFFFAOYSA-N
-2C63EEDECD208FC7_9C75E12A35203BAB_6003_DP,CC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CNC3,VQRDLCVWONSHKX-UHFFFAOYSA-N
-2CBD81A87AA542A7_839B4085CDB09C2D_6038_UN,N[S](=O)(=O)C1=CC(=CC=C1)OC(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O,KRNHKIJLOINNHX-UHFFFAOYSA-N
-2E4B73E658F01169_B18414E9F7218F50_6029_UN,N(C[CH]1C[C](C1)=[CH2])[S](C2=CC=C([C@H](O)CCl)C=C2)(=O)=O,QOUKTIMNRUKRMF-CQSZACIVSA-N
-301C706122922C76_E6952987FB06D0AF_6026_UN,FC1(F)CC1C2=CC=C(C=C2)[S](=O)(=O)NCC3(C(C)C)CCCC3,JPSVGEXOPUCINA-UHFFFAOYSA-N
-301F01D334A7997F_41BB81F49441E75E_6038_UN,CC[C@H](C)[C@H](NC(C1C(N(C)C(C1)=O)C2=CC=N[N]2C)=O)CN(C)C,ZHFCOFXPYDQPJC-XCCIUEIHSA-N
-31066C71C332CD1D_1FD9A6E0CEC13DE2_6026_UN,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)NCC(C2=CC=C(C)C=C2)N3CCCC3,VRZZFZHMGCZNBL-UHFFFAOYSA-N
-317A21D76DF7F711_47DBFCFAE04C876C_6026_DP,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCNCC2)C=C3,DQDULDJKYPSVRV-UHFFFAOYSA-N
-322FB0AFEA4D67E5_1413486CA1D5236E_6029_UN,C1CN(CCN1[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,ORJVDKLOEVFOKD-UHFFFAOYSA-N
-32570FCB77CACB63_CB5D8F8F88C60D01_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,SRKKMEYXMFSMHW-UHFFFAOYSA-N
-3501564C53F0EB37_77A5FEABF85352AF_6041_UN,C1(=C(C=CC=C1)CN=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,DIEWVZAHJFZTDS-WFASDCNBSA-N
-352ACC06E2852FB0_DF32EF6FEEA08844_6039_UN,COC1=C(C=CC(=C1)C=C(C(=O)O)C2=CC=CC=C2)OCC(=O)N3CCNC(=O)C3,KTGXBDNEFKYGPG-UHFFFAOYSA-N
-38282E775F1CC948_07FFBA3A6B4F6918_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4CCN([S](C3=C(C)C=CC(=C3)C(C)(C)C)(=O)=O)CC4)=O,GLZQHIGYGKDPLM-UHFFFAOYSA-N
-3999542EE21AA8E9_C455B44F58BFCF35_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3CCN(C)CC3)CC#C,OHNWAJBUFKGUCF-UHFFFAOYSA-N
-39A5AA8E130CFAE0_40E21F5A2893DD4A_6038_UN,CC(=O)C4=C(OC(=O)C2=C[N](CC(=O)N1CCCC1)N=N2)C3=C(C=C(C=C3)[N](=O)=O)C4=O,FSOKZIAQRGOBLZ-UHFFFAOYSA-N
-3A3E3D1009704F9B_230517AE6F6AE35B_6029_UN,CC(N2CCC(N[S](C1=CC=C(C=CCBr)C=C1)(=O)=O)CC2)C3=CC=CC=C3,JXIYWOCMRVYGSZ-UHFFFAOYSA-N
-3B25D55FCBBE6F9E_66107F1B6B510885_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=C(C)C(=CC=C3)Br)CCC4,ZCFFAYMIBPXKDC-UHFFFAOYSA-N
-3BDA8E8E0B44A9B0_60D0E652801B2C4E_6038_DP,CC1=C(C=CC(=C1)NC(CC2=CC=C([S](C)(=O)=O)C=C2)=O)N3CCNCC3,NZBJABYNJOMMOO-UHFFFAOYSA-N
-3C5E09A359349211_D1BB6ABB4F77F23F_6038_UN,CC1=C(C=C(C=C1)NC(CC(C(OC)=O)=C)=O)N2C(=O)CCC2=O,RAGRROLVWCJDOS-UHFFFAOYSA-N
-3C775AB47CAE8789_31B06FE5153A515D_6038_UN,CN(C)C(=O)C1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)C,QYMJNTAGEDSNMW-UHFFFAOYSA-N
-3DB86D194E9E1EC1_750DB2D2B9F3B366_6038_UN,COC(=O)C2=C(NC(C1(C(N(C)C)=O)CC1)=O)C=N[N]2C,XDTFXFXSGGUBHN-UHFFFAOYSA-N
-3F1FFCCCE84F381C_E0BBBEB2C7F7EE10_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCC2(CCN(C)CC2)C3=CC=CC=C3)C,OHEIZBWINDQFSS-UHFFFAOYSA-N
-3F5FDEDD105A93F8_0912B7003F845E4A_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3CCN(C)CC3)CC4=CN=CC=C4,SPFNEMLUKSCETC-UHFFFAOYSA-N
-402B6E2110B4D0EA_61376A646BE694E4_2267_UN,OC(C#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2)C3CC3,WQEWRSWRQWCHBH-UHFFFAOYSA-N
-40702352E7B07309_FBD7A5A83B4BDFB9_6029_UN,ON(CC=C[P](=O)(O)O)[S](C1=CC=CC(=C1)N2CC(O)C2)(=O)=O,GKSKSNIPSBTAQR-UHFFFAOYSA-N
-40C478222710EED0_F30269C913B4D2BE_6038_UN,CC(=O)C3=C(OC(C1=C[N](CC(OCC)=O)N=N1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,IRKLRIULECTBLG-UHFFFAOYSA-N
-42770F4E86F13572_578A7945D6E4C059_6038_UN,CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,RXNUVGISHKCRPC-UHFFFAOYSA-N
-42C9BB35ECCA08E6_06C4E64943FA6EC5_6026_UN,CC(C)C1=CC(=CC=C1)[S](=O)(=O)NCC2(CCCC2)C3=CC=NC=C3,KVYHPNFRUPVOJN-UHFFFAOYSA-N
-46507C49BFA25884_2F0B1668F14EC9CF_6026_UN,CC1=C(SC2=C1C(=CC=C2)Cl)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,MQDUBVVYSOVUOA-UHFFFAOYSA-N
-46586BDD1CF129E9_034AFC0AB4888F9D_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,PTHPZBRKMZHIBG-UHFFFAOYSA-N
-46A6ED125079359C_1CE339586F19915E_6038_UN,N(C1=CC2=C(N=C1)NC(=O)CO2)C(CC(C(OCC)=O)C(=O)C)=O,UTPHLUASMWULHP-UHFFFAOYSA-N
-46A970A95B38F705_D6CE5A888B950210_6038_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC(C2=C(C)C=C[NH]2)=O,UTMBFYGTAHOFCP-UHFFFAOYSA-N
-4784736192083A73_A2FC643D7797B020_6041_UN,C1(=CC(=CC=C1)CN=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,NJXVULVKZLFMFW-WFASDCNBSA-N
-47E91FE1E07CB14A_1826473CEF04C81E_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O,ZVGKADIAUCAACN-UHFFFAOYSA-N
-49FDFFBFE8E0D6FC_239A2AE2CC53008F_6038_UN,COC(=O)C(=C)C(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=CC=C3,SWNSSZDMONBHSZ-UHFFFAOYSA-N
-4ABCA2962E5AF398_661D8369E332EA9C_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCC(O)(CC3)C4=NC=C[NH]4,IEFRRRNBHAINII-UHFFFAOYSA-N
-4B1EB3E96FBCC31B_9E30B072C2F18903_7017_UN,N6([S](=O)(=O)C2=C1C=CC=CC1=C(C=C2)Cl)CCN(C3=NC4=C(C(=O)N3)C(=CS4)C5=CC=CC=C5)CC6,DAXLYRMPTVWULF-UHFFFAOYSA-N
-4BBB16EB8FBEEC47_CF285AAAD484059D_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,YNTDOIZKOPWJKX-UHFFFAOYSA-N
-4CF06AB7322DF65A_6919DD8E3D866E50_6026_UN,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,JGHMUQQDCCKROS-UHFFFAOYSA-N
-4D1EC7E1089FA5F7_96607913A86DA77B_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(C(F)F)C=CC=C3)(=O)=O,JCQBAGGUQIMGDN-PPUGGXLSSA-N
-4F40FA56BB00C0A8_7C0755F696501FBE_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)C2CC2)F)C(C3=C(C)C=CC=C3)CNCC4,VVSLHNOPHUFTJV-UHFFFAOYSA-N
-50493DBBBF65D5D3_33063C934256D089_6026_UN,FC1(F)CC1C2=CC(=CC=C2)[S](=O)(=O)NCC3(C(C)C)CCCC3,BTIKTHQQYBXSCX-UHFFFAOYSA-N
-50B1A63AC5FC5AAC_5A13801FDC033B50_6029_UN,OC(=O)C1=NC=C(C=C1)C2=C[N](N=C2)[S](C3=CC(=CC(=C3)C#N)N4CCCC4)(=O)=O,VLZRAPROMNNRMB-UHFFFAOYSA-N
-50D7F3DAB42FB168_CCACF345FF7F65B9_7015_UN,N(C1(CCOCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,QWGTUDOODQHUCG-UHFFFAOYSA-N
-5107A5889D94018A_6B37173866C92FD1_6041_UN,C1(=CC(=CC=C1)CCN=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,NLGKVTJGGKWBSG-BBRMVZONSA-N
-51432FA49F5D5B6D_8013C689EB407CB3_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCC(C(C)=O)(C)C)=O,IOOCAZYPHXNKCV-UHFFFAOYSA-N
-52338ACE9AB33E90_BB897ADE48F46C3B_6027_UN,CN(C1CCC(C)(C)CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,ZZTZAEDIGYXQGU-UHFFFAOYSA-N
-52338ACE9AB33E90_BB897ADE48F46C3B_7015_UN,CN(C1CCC(C)(C)CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,ZZTZAEDIGYXQGU-UHFFFAOYSA-N
-52338ACE9AB33E90_DE495F5E58BAEB87_6029_UN,CN(C1CCC(C)(C)CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,ZZTZAEDIGYXQGU-UHFFFAOYSA-N
-52DD16FDC12964A6_60801A5BCEDBFA40_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=CC=C(C(CC(C)(C)C)O)C=C2)(=O)=O,ALDNJNIVCRKQOB-UHFFFAOYSA-N
-52FF8DBF8EA8515A_F6167E1A7BC94C44_6039_UN,OC(=O)C=CC1=CC(=C(C(=C1)F)OCCCN2C(=O)CNC2=O)F,QZNUQQMXDOPSIH-UHFFFAOYSA-N
-5346E1D3351DCF5D_663F083AC060D254_6029_UN,N(C(C1CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,PAYBXRQPQQMJTP-UHFFFAOYSA-N
-53B72DD5DEEE34F2_48B4B0C179664989_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,XBTQNPOUFDYBLG-UHFFFAOYSA-N
-572B0EE8E6875DA5_78B9B6379399193E_6038_UN,CN(C)CC1=CC(=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,OCEWRBPDNRBYNO-UHFFFAOYSA-N
-5AFA12732F96907F_CEE1CD056359AE23_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(O)C=CC=C2OC(F)(F)F,NFKMLDJBNMAHRT-UHFFFAOYSA-N
-5AFD0281B603A13B_00347845318626BB_6039_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OCC(C2(C(OC)=O)CC2)=O,RJHLCOHDMPSVLO-UHFFFAOYSA-N
-5B667C71290570E5_1DEF1835DD389999_6028_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,BGJXQQUWLKWYBQ-UHFFFAOYSA-N
-5C0977CEE414DB27_EC72F6A1110D2123_6003_DP,N2CC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(C2)C(F)(F)F,OJPYXFRSSMKKLD-UHFFFAOYSA-N
-62D30C24558A9735_4F8F17E7B4D0B149_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C(C=CC(=C4)C(C)=O)F)(=O)=O,BQMQMBMVBWMDCF-UHFFFAOYSA-N
-661F5154DD81069A_00F477090A264FC2_6038_UN,N(C1=CC(=O)NC(=O)C1)C(=O)C2=NN(C(=O)CC2=O)C3=CC=C(C=C3)F,LOWAQZOPBROHDS-UHFFFAOYSA-N
-67E9F3D7EBCFF8B3_31FADB6E8D479A2D_6031_UN,CC(C)C(N1C(=O)C=CC1=O)C(=O)OCC(C)N(C)C,PLCJDBUHNQAMIU-UHFFFAOYSA-N
-6B72EC0931410C9B_2020926195E664F4_6029_UN,CCC(N[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O)C3CC3,BIOAEEUHGOIOPT-UHFFFAOYSA-N
-6BE11F970BD1943D_01525FCB88A9ED2F_6029_UN,OC(=O)C1=CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,QBXLMEQNMQOYOE-UHFFFAOYSA-N
-6C85856D9DDB6627_406633974DB100DE_7017_UN,N6([S](=O)(=O)C1=C(C2=C(C=C1)C=CC=C2)Br)CCN(C3=NC4=C(C(=O)N3)C(=CS4)C5=CC=CC=C5)CC6,HHMZYZPDNHFJES-UHFFFAOYSA-N
-6DFD4F007E234277_46D6203203CDF1D3_6003_UN,O(CCCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2)OC(F)F,NSTWNDLJBIAMEH-UHFFFAOYSA-N
-70CD96A7A7B8D39A_04C116641C072BC3_7017_UN,N3([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCC(O)(CC3)C4=NC=C[NH]4,DDWAGVFCFJNQKS-UHFFFAOYSA-N
-7144FC1DF10172F4_FFAC06C66E5BD0BE_6031_UN,O(C(=O)CCC2=NC1=C(C=CC(=C1)Cl)S2)CC3=C([S](C)(=O)=O)C=CC=C3OCC(F)(F)F,LPCGUEFDDIEBNI-UHFFFAOYSA-N
-7339CD0D19975F09_1CB2011C2C47B160_7017_UN,N5([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCN(C3=NC(=CS3)C4=CC=C(N)C=C4)CC5,QEMFUWPMSDJLDZ-UHFFFAOYSA-N
-73864F929D64B74D_EFB578A1E63438FE_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3(CCN([S](CC)(=O)=O)CC3)C4=CC=CC=C4)=O,QVYVSGFDHQSVDS-UHFFFAOYSA-N
-76EA80938E8F1862_34365A46D6E07C8B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C=C(C=C3)C(=O)O)C(=O)O,GGPGFPCSJPPFSM-UHFFFAOYSA-N
-7B0228AD1180A4A5_69EE571DDCFE4150_6039_UN,CCC2=C(OCC(NC1=CC=C([S](C(F)F)(=O)=O)C=C1)=O)C(=O)CC2,UVKSHBVETPJTJH-UHFFFAOYSA-N
-7B9BA7AA47E3EC13_5EF90FC9893959E4_6003_DP,N2CC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(C2)C(Cl)(Cl)Cl,ZEQXSCHMPLCTOZ-UHFFFAOYSA-N
-7C6A5DFE9767BA59_34ABE25FBE819DD3_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(CC)(C)C)C(=O)O,YJFVSCBKIBLKLI-UHFFFAOYSA-N
-7E0234612F94142B_F016E5F7DADF6D14_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C(CC)=O)C=C(C=C2Cl)Cl,WNIGFKYYUXFHLW-UHFFFAOYSA-N
-7E0F1011D37941BA_2ECD0F3C0100CBC2_6026_UN,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,NAIAZDQABWHCGC-UHFFFAOYSA-N
-7F005D14B0BBE661_EC265DF31951336F_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OCC)C=CC(=C3)C(=O)N4CCCCC4,WMODNIOZAAICSF-UHFFFAOYSA-N
-7FAEE95F5CCFBD25_3EAE806F30A64B69_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CSC(=N3)C4=CC=NC=C4)(=O)=O,VAXDHGCWEJJJNP-UHFFFAOYSA-N
-81C6FF1D78261D4B_6255642503D6D48F_6038_UN,CC(=O)C3=C(OC(CCC[N]1N=C(C(OC)=O)C=C1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,ZMFXRQMYQVSMEV-UHFFFAOYSA-N
-82B3D8DE8103C8C2_BE78BE825B8CC1BA_6027_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,VOBKXNAABUUHNX-UHFFFAOYSA-N
-8513374B7E8B699A_2C16B90FBAADB1D1_6029_UN,CC(N[S](C1=CC(=CC=C1)C#C)(=O)=O)C2CC(F)(F)C2,GWLOFGHPIXDCMU-UHFFFAOYSA-N
-85D3193529729499_8800BAD548B06F7D_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,YFYDPPYFQLLSIO-OSSATUEASA-N
-8642C039E58215F7_C8ED3AA24EFB0A4A_6039_UN,O(C=C1C(CCC1)=O)CC(NC2=C([S](C(F)F)(=O)=O)C=CC=C2)=O,SJAOJYLMKLTPRX-UHFFFAOYSA-N
-8AA97E5E1941C709_9D492326D4AE5F44_6029_UN,C1CN(CCN(C1)[S](C2=CC(=CC(=C2)[C@H](C)O)F)(=O)=O)C3=NN=C(C=C3)C4=CC=CC=C4,ITFCTDXQZXJRPF-KRWDZBQOSA-N
-8EB011342922FF16_D06EBAE41DF6DCBD_6038_UN,CC1=C(C=C(C=C1)NC(C(CC(OC)=O)=C)=O)N2C(=O)CCC2=O,XSVHWHSDYHLVLM-UHFFFAOYSA-N
-8EF19726DE60B16B_8545D66D79A1E6D5_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3CCN(C)CC3)CC#C,AJAKVLOWZMPRHY-UHFFFAOYSA-N
-90609C2A92AC7951_6A2EC94B33A8EBA1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC(=C(OC)C=C2)OC)C(C)C)=O,USOLFBRWOYDDFN-HKALDPMFSA-N
-90E73124DAD1E13A_0A5AE63F27009B97_6038_UN,N(C2=C1N=CC=CC1=C(C=C2)OC3=CC=CC=C3)C(C(O)O)=O,SSOMXVIVRRPKIU-UHFFFAOYSA-N
-90EE22D8957732EE_6DF1374F82183C6B_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3CCOC4=C3C=C(SC)C=C4,RFJLNXAXMLWWJF-UHFFFAOYSA-N
-928E8CECFEF3592C_AEBA65E674BA7F83_6038_UN,CC(=CC(=O)C)NC(=O)C1=CC=C(C=C1)NN2C(=O)CCC2=O,DHFRHXNLKXVBIO-UHFFFAOYSA-N
-92CEDC5574C2A750_181B2E768D4AA61B_6038_UN,CCOC(=O)C[C@H](NC(C(N(C(C)C)O)=O)=O)C1CC1,TWNMBAIQSNQOOE-JTQLQIEISA-N
-96CD32D3A8121F18_507486E300E806D3_6031_UN,O(C(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C#N)CCN2C(=O)CNC2=O,VZPBDCDOSLGTGS-UHFFFAOYSA-N
-96DBEF4CFD91BEE6_847C5B7062AF7D73_6038_UN,CN(C)CCC1=CC=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,XZPBVVCOTYQGIN-UHFFFAOYSA-N
-978F443B1293964B_B20F7D52273E2504_6041_UN,COC1=C2C(=NC=C1C(=O)O)C=CC(=C2)NC4=C(C(N3CCCN(C)CC3)=O)C=CC=C4,IUOHEQYPUDSDTO-UHFFFAOYSA-N
-97F4FE75CC597CF4_ADDA0B90A7B4743B_6041_UN,C1(=CC=C(C=C1)N2CCC(=O)NC2=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,LOHUSFNMEJMRAC-LRDDRELGSA-N
-983F6D91AF7C30F2_48EEA936AECCAFAC_6026_UN,ClC1=CC=C(C=C1)C2=N[NH]C=C2[S](=O)(=O)NC(C)C3=CCN(C)CC3,OMLQUSSSPHSGQS-UHFFFAOYSA-N
-9ACADCCDE34C1F13_A460C9E6DEE8F884_6028_UN,C1CN(CCN1[S](C2=CC=CC(=C2Cl)C)(=O)=O)C3=NC(=CS3)C4=CC=CS4,QPUGHZPFUVGFCU-UHFFFAOYSA-N
-9BA2427FDC2F9940_5758ADCDF174C8A0_6029_UN,N#CC1=C(C=CC=N1)N2CCN(CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,KOMTWICKXRVFHS-UHFFFAOYSA-N
-9C0E0F0FF6D3BB8B_30171E31A00CC966_6029_UN,CC1CC(CN1[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O)C4=CSC=C4,GSWOJSWMPXNTSB-UHFFFAOYSA-N
-9DFC7D40D7D18CA3_9E9713D55A6618DA_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,FKXIXUXEWGVAHP-UHFFFAOYSA-N
-A0360D283B2A3AC5_50AE9EFF411EF50E_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O,UKIRAQMRPIIPKJ-RZDIXWSQSA-N
-A04EF9037B24CE18_6C678907F07E75FC_6029_UN,N#CC1=NC=CC(=C1)N2CCN(CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,PRVRVEUJLYJQGH-UHFFFAOYSA-N
-A39E527A9A9CD8E3_A3D47B74915D2205_6029_UN,CC1CC(CN1[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C3=CSC=C3,ZQOKHQURDMJIEQ-UHFFFAOYSA-N
-A4962E48D8E06ED9_A7F3237A7D38F7E0_6038_UN,CN(C)CCOC1=C(C=CC=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,NIMGOVATLXGAKL-UHFFFAOYSA-N
-A80393034BF06673_83BABFB7368DD641_6041_UN,C1(=CC=C(C=C1)CN=C=O)N[C@@H]([C@H](CC)C)C(=O)N(C)C,VSCIERKMPCXHEJ-WFASDCNBSA-N
-A86DF2730BA0623F_254C4A52AE276CD8_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C([S](N(C)C)(=O)=O)C=C2)=O,VQYBKJGAGNZXSG-LBPRGKRZSA-N
-A94330D3985D9D90_CB2F29369FC2BCED_6041_UN,COC1=C2C(=NC=C1C(=O)O)C=CC(=C2)NC4=C(C(N3CCN(C)CC3)=O)C=CC=C4,FSZUDYAJAGFPAH-UHFFFAOYSA-N
-ABBADD79F0CB8640_4CBD9D3F45EE3DA6_6038_UN,CCOC(=O)C1=C2[N](C=N1)C4=C(C(N(C2)C)=O)C=C(OC(C3(C(N(C)C)=O)CC3)=O)C=C4,WTYKKGXCTBTJAE-UHFFFAOYSA-N
-ABE069D79C4C678D_F51E07F92AC98FEA_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC(=CC(=C2)[S](=O)(=O)Cl)C)=O)C=C3,CRKXKIQPZNVNNO-UHFFFAOYSA-N
-AD0F853C3B07171D_9C220D9D6B5FBEF9_6028_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=NC(=CS3)C4=CC=C(C)C=C4)(=O)=O,VMBLAMYTWIMFTA-UHFFFAOYSA-N
-AD667A6DBFD2BE47_6995EFA67A8049E0_6038_UN,CC(=O)C3=C(OC(C1=NN(C)C(CC1)=O)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,XWDASLBXVMLXLC-UHFFFAOYSA-N
-ADCCECFE80F4AC83_3D933DEC800CB114_6038_DP,CN(C)C(=O)C1=C(C=C(C=C1)NC(C2CN(C)C(CN2)=O)=O)C,NATYSFOAQZHLNH-UHFFFAOYSA-N
-AEF99562CF690DD4_4CA57F5FA01F73C5_6038_UN,CC(NC(C=C(C1=CC=CC(=C1)OC)C)=O)CN(C)CCN2C(CCC2=O)=O,LNGWEZALAXVRAH-UHFFFAOYSA-N
-B057B5B1DDA87879_62EC40CAA166C2C3_6029_UN,N(C1(CCOCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,VYFLHRVWMSYWLX-UHFFFAOYSA-N
-B200F9878FC07C44_B8D5C9729F6A2D01_2267_UN,O=[S](=O)(NCC#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2)C3CC3,GRQSFSNTXLGMJR-UHFFFAOYSA-N
-B3A661BE13AC2B88_40E4B71DC6D68197_6041_DP,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@@H]([C@H](CC)C)C(=O)O,YJAYNKJGAZYZIM-ZANVPECISA-N
-B5373EE9C65A50D5_C51F156345C01885_6028_UN,N(CCCCCN1CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,WHCKSLXUYOFLQR-UHFFFAOYSA-N
-B5AA930FB9FF1636_D3AC3B6657CD7165_6029_UN,OC(=O)C1=C[N](N=C1C2=NC=CC=C2)[S](C4=CC(=C(C(N3CCN(C)CC3)=O)C=C4)C)(=O)=O,QZXACMGFEPZKNH-UHFFFAOYSA-N
-B99E7C97C0BA1626_E0849455046461AF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=C(OC4=CC=CC(=C4)C)C=CC(=C5)[S](=O)(=O)N6CCCCC6,QVCRSJXGDKMNTO-UHFFFAOYSA-N
-B9B3C4F02FCE0C81_5E185FD07FC2BC1F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C([S](N(C)C)(=O)=O)C=C2)=O,KTFOJLBCZDAXTM-NSHDSACASA-N
-BE702F439C739736_FC0CF19A304BCF03_6029_UN,CC1CC(CN1[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O)C4=CSC=C4,AQYJNVLYMQLSKF-UHFFFAOYSA-N
-BEE2C94E8A891004_C6B95B40A260C779_6029_UN,N(CC(CO)C1CC1)[S](C2=CC=CC(=C2)[C@H](C)O)(=O)=O,DJIZEWIMPITUSN-NKUHCKNESA-N
-C1A652BC4713F8E5_84858F8F8F169755_6004_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)Cl)C3=C(CN2CCN(C)CC2)C=CC=C3,IGEKLWWWBLNGCZ-UHFFFAOYSA-N
-C2C02E3142EA9C19_13B6F58808484833_6003_UN,O(CCCN1C(=O)CNC1=O)C2=C(C=C(C(OC)=O)C(=C2)F)Cl,NGDPZKLCTRVDEM-UHFFFAOYSA-N
-C2CDCC044D1AB06D_4A74561EADCB5F7F_6039_UN,CCOC(=O)C(=CC(=O)C1=CC=N[N]1C)OCCN(C)C,CEDJEBQCDCWRKN-UHFFFAOYSA-N
-C33773F9A1F47E41_48ACF263A6DADF2B_6029_UN,OC(=O)C1=NC=C(C=C1)C2=C[N](N=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,NXRSXQQCGYCOKF-UHFFFAOYSA-N
-C3E7A1DDB5C6664D_086745E6E26CAFC8_6031_UN,CC1=C[NH]N=C1C(=O)OCC(C(OCC)=O)(CC)CC,GVFVBFWHWIOTQL-UHFFFAOYSA-N
-C3F05B48316287C7_738A628B2CCE79D5_6039_UN,O(CCCN1C(=O)CCC1=O)CC(NCC(NC2=C(OC)C=CC(=C2)C)=O)=O,CKPGCLLOJCMPKX-UHFFFAOYSA-N
-C4C70857F1E74746_109B81CF4F946792_6029_UN,C1N(CC(=CC1)C2=CC=NC=C2)[S](C4=CC=C(C(C)N3CCCC3)C=C4)(=O)=O,WYMNGNFFBKKJNW-UHFFFAOYSA-N
-C5FCA64C5659F748_884F9D4F074732A6_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)CN(C)CCN3C(CCC3=O)=O,PLKBUAULGDADDD-UHFFFAOYSA-N
-C645241C2093367A_6F91CC730F4A6ED7_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NC(C(C)(C)N3CCCC3)C4=CC(=C(C=C4)F)F,CKVVFIDXZAAHCO-UHFFFAOYSA-N
-C681EED59D8A69A4_6AF34CD8B3077EC3_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCCC3=NN=C[N]23,IJANSPUQNLNPQY-UHFFFAOYSA-N
-C907DC1DB592A79F_79E07B3F07D2ED22_6003_UN,O(CCCN1C(=O)CNC1=O)C2=C(C=C(C(OC)=O)C(=C2)Cl)F,BKJVUCKNQIURPX-UHFFFAOYSA-N
-CA6D03844AF691A1_C9E319386AD7AA5B_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2)OC(F)F,KRSDJXITRKRUBT-UHFFFAOYSA-N
-CAA6AB23C200B403_53D6EE87649430B9_6026_UN,CCC1=CC(=CC=C1)[S](=O)(=O)NC(C)C2CCC(F)(F)CC2,FIMBUFDHQIDOJE-UHFFFAOYSA-N
-CB7D8C363060D913_EFBF55B90743058A_6038_UN,CC(=O)N(C1CC1)C2=CC=C(C=C2)NC(CCCC(N(C)C)=O)=O,BUUQRHUPORIXOP-UHFFFAOYSA-N
-CBBFF1C3E84808CB_AA44C52EC331C69D_7017_UN,N3([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCC(N)(CC3)C4=NC=C(C=C4)Br,AVSLBZOUIJZMDD-UHFFFAOYSA-N
-CC84C363B44D84E9_8CD6F027D0D3AB84_6031_UN,CC(C)C(C(=O)OCC1=CC(=C(OC)C=C1)B(O)O)[N]2C=NN=C2,OZILGLKWGUMXDJ-UHFFFAOYSA-N
-CD0561ABFCE6463D_11B1F4F8B9A9F5C8_6041_UN,OC(=O)C1=C([N](N=C1)C2=C(C=C(C=C2)NC3=C[N](C)N=C3C(=O)N4CCC4)F)[N]5C=CC=C5,FNEISCDLJSVWGK-UHFFFAOYSA-N
-CD735B65304BC7EA_B855AA115908DD02_6029_UN,N(C1CC1)[S](C2=CC=C(C(CC(C)(C)C)O)C=C2)(=O)=O,OTIZEZFWWPRBPW-UHFFFAOYSA-N
-CEDE11E10BB6293F_0B0A09F4875DC7DC_6029_UN,CC1=CC(=C(C=C1)C)OC2CCN(CC2)[S](C3=CC=CC(=C3)P(C)C)(=O)=O,LNCQOABKPBEQBD-UHFFFAOYSA-N
-CF7FDD657222529C_5D1BDDB6FC545BA4_6003_UN,O(CCCN1C(=O)CNC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,ZTMUDDRHVCBAKW-UHFFFAOYSA-N
-CFC6F229A4EB84F7_414FEFC32B3A3058_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3CC(C)(C)OC4=C3C=CC=C4,XHELCPQTKNHDOM-UHFFFAOYSA-N
-D050830CC28F889D_D3C1EDF14BE76ED1_6038_DP,CC1=C(C=CC(=C1)NC(C(C)C2=CC=C(C=C2)[S](=O)(=O)C)=O)N3CCNCC3,WTZVITPRMNRDEW-UHFFFAOYSA-N
-D295E4D92B7277C2_9412F3AB2DCCD5C5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=C(C)C=C(N=C3)OC4=C(C=CC=C4)C#N,OXCPOCMNZMTKKG-UHFFFAOYSA-N
-D32DE147C56B8863_E5B2F4BC256BE036_6036_UN,CC3=CN1C(=NCC(C1)N(CCN)[S](=O)(=O)C2=CC=C(Cl)S2)C=C3,WWFOZRZHMCBDAE-UHFFFAOYSA-N
-D5547A74A94E49D1_F503C936F83269D9_6038_DP,N2CC(=C(F)CNC(C1=CC(=C(OC(C)=O)C=C1)OC(=O)C)=O)C2,ZQLLSDZHOYZJTB-UHFFFAOYSA-N
-D8AF9BE472D976E6_0698A85AFEBC4205_7017_UN,N4([S](=O)(=O)C1=C(C=CC=C1)C2=CC(=CC=C2)Cl)CCN(C3=NC(=CC(=N3)C)N)CC4,SNACZQMTGDUDQC-UHFFFAOYSA-N
-D927A4B7342392A3_D5017AD3D5718326_6038_UN,CN(C)CCC1=CC=C(C=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,LPZLZIPQJHEQAB-UHFFFAOYSA-N
-DB9B1AD12EF45981_70FEF34D79C26065_6026_UN,[S](=O)(=O)(C1=CC=C(O1)C2CC2)NC3=C(C)C=C(N=C3)OC4=C(C=CC=C4)C#N,DLYVSNSXODVNPT-UHFFFAOYSA-N
-DBCE9AAE7B11F551_A3147B79F2DB7A63_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4CCN([S](C)(=O)=O)CC4)=O,CGDCECUEDXZCLA-UHFFFAOYSA-N
-DC256FC126A74437_B295738629A21E39_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CN=C(S3)C4=CC=CC=C4)(=O)=O,HDQKSNHGMIIBAA-UHFFFAOYSA-N
-DCFA1EB555E72CC8_5B9BB34796E7D1D1_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(CCC(N4CCN([S](C)(=O)=O)CC4)=O)=O,LMDJVWSKYXLQMT-UHFFFAOYSA-N
-DD94804A7BBBC7EE_ED20B5EC666508AD_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C(CC)=O)C=C(C=C2F)Br,YHXBOYDMUWMKDB-UHFFFAOYSA-N
-DDDF4C838E9B4614_62158CE60F7F5325_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C(CC)=O)C=C(C=C2F)Br,XSUWYRBXNANAPP-UHFFFAOYSA-N
-DE8F809B5255E107_DAC0257B662F1EF7_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N(C4C3=CC(=C(C)C=C3OCCC4)C)C5CC5)I,OLVFEMRAOLURLB-UHFFFAOYSA-N
-E04D04078F197790_93E6D728D979A3B0_6029_UN,CC1=CC=C(C=C1)C(CN[S](C2=CC=C(C=CCBr)C=C2)(=O)=O)N3CCCC3,QTVWAPJDQAJTFG-UHFFFAOYSA-N
-E08EADF7196129D9_454D37C7E0793A0B_6038_UN,CC1=CC=C(C=C1)[S](=O)(=O)N3CCC(NC(C=C(C2=CC=C(CC)C=C2)C)=O)CC3,WZGGQRYMRCRPQO-UHFFFAOYSA-N
-E102648E8366B64A_1FE9AA87FFB7EE45_6003_UN,OC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CC3,CNYRHKSBKIHYKL-UHFFFAOYSA-N
-E16ABA618019B0A8_344DD8F238DAC96A_6029_UN,OC(=O)C1=NC=C(C=C1)C2=C[N](N=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,AMWNUMVTWKWAJS-UHFFFAOYSA-N
-E2A5AC20214FCE1C_5DF79576D5B5CFC3_6038_UN,COC1=CC=C(C=C1)N2C(C(C2)NC(CCCC(N(C)C)=O)=O)=O,NAIZACGGMZYJLP-UHFFFAOYSA-N
-E4D5871BF7F86C75_529971239E312DAF_6038_UN,CC(C)OC(=O)CCC(C)NC(C=C[P](CC)(=O)O)=O,HLEJWVONGZLKOG-UHFFFAOYSA-N
-E6339D61BFD95C95_E25CB39048ABD731_6029_UN,N(CC1(CC1)CC2CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,RCSHLVBCKWIEFD-UHFFFAOYSA-N
-E81C03CC7D32B7B9_FFD65B5F15D9B766_6039_UN,O([C@H]1CCNC1=O)CC(NC2=C(OC)C=CC(=C2)NC(=O)C)=O,QLXRILBYBOJSLD-ZDUSSCGKSA-N
-E9EBE9AE8A24F049_267CF418352FCF45_6038_UN,NC(=O)NC(=O)C1=CC(=CC=C1)NC(C=C[P](CC)(=O)O)=O,LQNZJTKHSOTPPZ-UHFFFAOYSA-N
-EB21DD7C4E30D8BC_9BDCB507C9D912B0_6026_DP,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NCC(C3CCNCC3)C4=CC=CC=C4,MMJYAUFLJTYVHV-UHFFFAOYSA-N
-EB6F937496F9BDBC_FB678DC5AF29215A_6029_UN,OC(=O)C2=C1[N](N=CC1=CC=C2Cl)[S](C3=CN=CC(=C3)N4CCN(CC)CC4)(=O)=O,RBHADTADGPISAH-UHFFFAOYSA-N
-ED97594496F67E6B_63584069A0D6ED9E_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CC(OCC)=O)(C)C)=O,RPPNBRVDRANMSW-UHFFFAOYSA-N
-EDABF95DED72585E_EF3557055BE3DEDE_6029_UN,CC1CC(CN1[S](C2=CC(=C([C@@H](C)O)C=C2)F)(=O)=O)C3=CSC=C3,CQWFMXVLFONIOS-MBHSVXNSSA-N
-EECD4635CA5C9D24_50615B6E0B0A73DE_6038_UN,N(CCCN1C(C=CC1=O)=O)C(C2=CC=C(CN(C)C)[NH]2)=O,XQPHGCZEOGFQBM-UHFFFAOYSA-N
-EEF432C5169B7DA7_DF7D839477737854_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OC(C)(C3)C)C=CC(=C4)F,XJCJXGJKSNFMPO-UHFFFAOYSA-N
-EFBA22272C39ACB1_02457A2E70607571_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC(C)(C)CC#N,DWRNKZGEGRDAGD-UHFFFAOYSA-N
-F0CD7398AB484C78_EC4A56EB17F07F48_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CN=C(C=C3)OC4=CC(=CC=C4)C#N,OOKPKGPVGYQLSJ-UHFFFAOYSA-N
-F31A8837AEE67451_922DF6DB34AD9F3D_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C=C(CC)C)=O)C,OJCNZVIGQZOOKE-UHFFFAOYSA-N
-F34399FC26742F64_DB2674B507A8B800_7022_UN,C1(=CC(=CN=C1)OC(F)(F)F)NC([C@H](CC)N2CCCC2=O)=O,ODMYGIWGYNFARX-NSHDSACASA-N
-F346DD24E77CC7FA_3415EBC9C701D8E4_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3(CCN([S](CC)(=O)=O)CC3)C4=CC=CC=C4)=O,ACVSLJFPGAVWTL-UHFFFAOYSA-N
-F5E4B35B29FBAE18_149F1F75F6BB7446_6038_UN,CC(C)N(C)C[C@@H](C)NC(=O)C2=CC1=C(C=CC=N1)[NH]2,JUPVGFILVTXOOK-LLVKDONJSA-N
-F61AAF141437015D_20448714B412102A_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCC(N)(CC3)C4=NC=C(C=C4)Br,YCZGNTSRHBPJIQ-UHFFFAOYSA-N
-F74EC6569190AFB5_71A5C98F5AB33873_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=C(CC(C)O)C=CC=C4F)(=O)=O,HQWKUSONVGGLHM-UHFFFAOYSA-N
-F7B2E6FA9F0FE0EE_46428A427CF408F1_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C(=CC=C3)Cl)CC4,FWHUNJVWYJGDHQ-UHFFFAOYSA-N
-F85FBF6D05F4196D_B1C486B2F60298FE_6041_UN,OC(=O)C1=C(C=C(C=C1)NC2=C(C(OC)=O)C=C(C=C2)OC(C)C)N3CCCC3=O,SUEDMQUWYARYBI-UHFFFAOYSA-N
-F9231B10D3DA9D84_83D1397345AC3003_7017_UN,N4([S](=O)(=O)C2=C1C=CN=CC1=CC=C2)CCC(C3=CC=N[N]3C)(O)CC4,XCMDUHXNRUURBR-UHFFFAOYSA-N
-F94FEA7B837D1692_B7920D58B3EFF69F_6029_UN,CC1CC(CN1[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O)C4=CSC=C4,IMXIXRSOHIGKFV-UHFFFAOYSA-N
-FC768F30A4778D6B_DB6A0304EEFF1B95_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CC=C3)CC4)Cl,XAZBEHHGEFATQA-UHFFFAOYSA-N
-FCEAD3A7A781572B_1F296176DD5B942D_6038_UN,C[C@H](OC(C2(OC1=C[N](C)N=C1)CC2)=O)C3=C[N](N=C3)C,KKLAMXUOBLXDDJ-JTQLQIEISA-N
-FDF51BDC8AE05D22_4D44C2DDF10DE5B7_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C#C)(=O)=O,TXGOGZMYJMRZSS-UHFFFAOYSA-N
-rxn:2:109877:163743,CN1CCC(COc2cc(CNC(c3cccc(S(C)(=O)=O)c3)C3CCC3)ccn2)CC1,GHCFAFXZZXOZDP-UHFFFAOYSA-N
-rxn:2:111757:105145,CCC(Nc1ccc2c(c1)CN(CC)CCS2(=O)=O)c1ccc(N2CCC3(CC2)CC3)cc1,DNFPJSBZLRCYNQ-UHFFFAOYSA-N
-rxn:2:118191:155634,CCN1CCN(c2ccc(OC)cc2NC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)CC1,FRGKFNWYJZEQPL-UHFFFAOYSA-N
-rxn:2:118227:121598,CCC(C)N1CCC(CNC(c2cccc(S(C)(=O)=O)c2)C2CC2)CC1,DLKRCESFRMFFRA-UHFFFAOYSA-N
-rxn:2:132011:147241,CC(Nc1ccc(N2CCCN(C)CC2)cn1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,WUNVGXSMGXEWKG-UHFFFAOYSA-N
-rxn:2:135401:162580,CCC(NCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ZYDBQYGLUHKAFP-UHFFFAOYSA-N
-rxn:2:139988:138960,COc1ccc(C2(N3CCC(NC(c4cccc(S(C)(=O)=O)c4)C4CC4)CC3)CC2)cc1,CRFLOCKOFMWUMQ-UHFFFAOYSA-N
-rxn:2:164592:112206,CCC(Nc1cccc(-c2ccccc2S(C)(=O)=O)c1)C1CCN(C2CCCCC2)CC1,IGBJPHHPEVHNTH-UHFFFAOYSA-N
-rxn:2:66420:91277,Cc1cccc(C(CCC(C)Nc2c(S(C)(=O)=O)cnn2C2CCCCC2)N(C)C)c1,NWJZBKUVIAHHDF-UHFFFAOYSA-N
-rxn:2:68340:166419,CC(NC1CCN(C2CCCCCCC2)CC1)c1csc(-c2cccc(S(C)(=O)=O)c2)c1,SJELMXHYLLTEKA-UHFFFAOYSA-N
-rxn:2:70988:162580,CCC(Nc1ccc(N2CCN(CCOC)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,NJRWTXAQFMDXRS-UHFFFAOYSA-N
-rxn:2:73724:149518,Cc1cc(NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1N1CCCN(C)CC1,OIJRGHPCQADLDA-UHFFFAOYSA-N
-rxn:2:79183:121598,COc1ccc(NC(c2cccc(S(C)(=O)=O)c2)C2CC2)cc1C1CCN(C2CC2)CC1,ZPBLFCISHCFXQK-UHFFFAOYSA-N
-rxn:2:83185:147241,Cc1cc(N2CCCCCC2)ccc1NC(C)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,GXXLASSJIKIQJC-UHFFFAOYSA-N
-rxn:2:85597:147241,Cc1ccc(N2CCCCC2)cc1NC(C)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,SSWFATMURWTWIZ-UHFFFAOYSA-N
-rxn:2:91656:143203,Cc1ccc(C(C)Nc2cnn(C3CCCCC3)c2C2CCCCC2)cc1-c1cccc(S(C)(=O)=O)c1,QYQOWRVSYGCFRT-UHFFFAOYSA-N
-0046507075BC1988_42C52763421538F8_6041_UN,OC(=O)C2=C1C(=CC=CC1=NC(=C2)C3=CC=CC=C3)NC4C(SCC4)=O,BZBJVYGCIUTWIO-UHFFFAOYSA-N
-0051C4B6592E0829_1CD1934E18B062CB_6038_UN,C[C@H](OC(CCCC(N(C)C)=O)=O)C1=CC(=CN=C1)F,UKQOQGWGSMMHAD-JTQLQIEISA-N
-00A60BBC8AC9EE1D_4D113B4FBE4C0BB6_6029_UN,CC1CN(CCN1[S](C2=CC(=CS2)C3=CN=CC=C3)(=O)=O)C4=NC(=CC=C4)C,QTKFLQGYPDYICG-UHFFFAOYSA-N
-0179585835E895E9_0660C2BDE2E47A96_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C([N]3N=C(C)C(=C3)C(=O)O)C=C4)(=O)=O,KEGSDVNXNSMTQM-UHFFFAOYSA-N
-03F7C293331A4278_3F2EAF4A2EA33DBC_6029_UN,CC(C1CN(CC1)[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,QXFUTDGHOMABDK-UHFFFAOYSA-N
-042584D655A752DF_FF9F3BF6DE26F4CC_6034_UN,CC1=C(C#N)C(=O)N(C(=O)N1C)CC(C(C)(F)F)C2=CC=CC=C2,GCKCOYLEBVJRGD-UHFFFAOYSA-N
-0481D7E8537BA944_22AE4B346675DC13_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N(C(C)C3=CN=CC=C3)C4CC4,RYVNDVMMFOOHKB-UHFFFAOYSA-N
-04C951AB2AFD4F6A_DCFC279A0185D116_6029_DP,N(C1CC(CC1)C2=CC(=CC=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,ZXUHQOPKNKLMJV-UHFFFAOYSA-N
-06DE86DE82ACE260_BFB4D5AC0AEBD026_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4C(N(C)C(C4)=O)C5=C[N](N=C5)C)=O,FIHSKEMQBLMRKL-UHFFFAOYSA-N
-07C898BCDF712052_9A6C6BD2CF7451B5_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,UCAFVUDSFVFHSU-UHFFFAOYSA-N
-07F9A1BF2332FDCE_9B72F6F8187F65A6_6038_UN,CN(C)CC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,JRXHNCRARGJRGQ-UHFFFAOYSA-N
-07FCF20FF6977EBA_197487D726DF6E9A_6038_UN,CC(C)N(C)CC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,XKEGKHBLPGZCFX-UHFFFAOYSA-N
-08557CA65FA22B71_15ED10C7BC04DD8D_6041_UN,CC1=NC(=CC(=N1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,OQLJEJBHTSVDOB-AWEZNQCLSA-N
-0B0AEA20FFF9FB27_60DDB2DDB51E2196_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=C(C(C)O)C=CC=C3)(=O)=O)C4=C(C=CC=N4)CC5,GABUHGHSYQCFIQ-UHFFFAOYSA-N
-0D7F05475D7D2F33_B8CEE681383207AD_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)N4CCCC4=O,GPYBMYAZOWUQFQ-UHFFFAOYSA-N
-0EEECD4CA0525273_163FAFD5579478BC_6029_UN,C1CN(CCN1[S](C2=CN=C(C=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,OWCGZYQOJMPANX-UHFFFAOYSA-N
-0F36324AE9B81BB9_CC57C87DC01230E4_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC4C3=CC=CC(=C3OCC4)CC,SJYYKYCMEXDGGO-UHFFFAOYSA-N
-0F8E8413CE6D1882_1E0EC8F169414467_6041_UN,FC2=C(C=C1C=CC=CC1=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,IXXNZCLLKSGCTB-UHFFFAOYSA-N
-113995B4E2E78D29_41D96D76F3C74F1D_6029_UN,FC1=CC=C(C=C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,CPGXDRBBQFMRLJ-UHFFFAOYSA-N
-11F65F948A1FB4A3_29D121ACC81219B8_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]3CCOC4=C3C=C(C(C)C)C=C4,NVRLRIMJSRWAJP-HXUWFJFHSA-N
-12EC69CDA204C2AA_8E7C4D94DBA0795D_6038_UN,CCN1CCN(CC1)C(=O)CNC(C=CC2=CN=C(C)C=C2)=O,PJNJRQLMSDTTAL-UHFFFAOYSA-N
-13891853E75B64FD_FBD2373601141D09_7015_UN,N(CC2CCN(CC1=CC=CC=C1)CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,CHDSOXCHRQXCIG-UHFFFAOYSA-N
-1454B63B929C0379_175F0EFF410F32AC_6028_UN,N(CCC1=C(C=CC=C1)Br)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,MCCNCHNSEPQLSC-UHFFFAOYSA-N
-15432CD88FCFF56E_B5E3308F31A565DD_6038_UN,N(CC1=CC=C(C=C1)C2CC2)C(C3=C[N](CCC)N=N3)=O,LPSWJTHGRVPYJZ-UHFFFAOYSA-N
-161EE29E247637BB_8FCC3CD2A420F82D_6005_UN,C1(=CC(=CC=C1)OC2=CC=NC=C2)C3=CC(=CC=C3)C4(O)CCC4,LJQRNNDWUDSWKN-UHFFFAOYSA-N
-189DCE84319DD2C1_6A86E8280C6F7B06_6029_UN,N(C1=C(C=NC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,LBRVJLSWBSFJHO-UHFFFAOYSA-N
-18E1CA0977051302_A9B2274684CC4F63_6003_UN,O(C2=C1N=C(C=CC1=CC=C2)N3CCCC3)C4=CC=C(C(=C4)[S](Cl)(=O)=O)C#N,GONYSHGAZSAQKG-UHFFFAOYSA-N
-1A9FC2A88694AF80_03F2E63072FB16A9_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=C(F)C=CC=C3F)(=O)=O,NZSZTSCPAFTRAX-AULYBMBSSA-N
-1C8F8BFF75DA5ABD_E7377D11ED5EC380_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=CC(=C2)Cl)Cl)[S](=O)(=O)Cl,CUKMTGAOESHEIL-UHFFFAOYSA-N
-1DF2A227FC65B68C_0860D27DC2580C49_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CCC)(C)C(=O)O,PMCOOCCTZSDFQH-UHFFFAOYSA-N
-1ED2944D8AD81451_54D5ABAA75486BDD_6038_UN,O(C1=C(C=CC=C1)[S](=O)(=O)F)C(C(C)OC2=CC(=CC=C2)F)=O,XGSKZCKZFOUEOU-UHFFFAOYSA-N
-26AAF023424D77A5_AA697487DCD314CF_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=C(C=C(C=C2)Cl)Cl)(=O)=O,OTTKOEHTWCEFDE-UHFFFAOYSA-N
-27134307D16B0020_F93CF394ADC824DD_6028_UN,C1C(CN1[S](C2=NN=C(C=C2)[N]3C=CC(=N3)C4=CC=CC=C4)(=O)=O)C5=NOCC5,IMZUTHJFNJMJKT-UHFFFAOYSA-N
-2A997E34F6F99380_DE174FCF724CA725_6038_UN,CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,MRBFXWQKDVTEHX-UHFFFAOYSA-N
-2BF1DAD3155E58DD_0A18EC9257CCE010_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,GHWZDUJLLILXDN-UHFFFAOYSA-N
-2C781DE71D923033_0D23F9F0B3203811_6029_UN,C1N(CC=C(C1)C2=C3C(=CN=C2)C=CC=C3)[S](C4=CC(=CC=C4)[N]5C=NN=N5)(=O)=O,CDKNKGSWDRPBGB-UHFFFAOYSA-N
-2E0CB3BAE8E861AF_CE1100F25FA07789_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC([C@@H]4C[C@H]4O)=O,FYSFJTYXPLOFDW-IUODEOHRSA-N
-30DB6338C9B79051_F58471646F741109_6029_UN,N(CC(O)C1=CN=CC=C1)[S](C2=CC=C(C=CCO)C=C2)(=O)=O,KTLLCGJDDNDXKY-UHFFFAOYSA-N
-334E89429BE2EB1B_C9B50CDB293EC9C2_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,FGGSEQOEXPYFGY-GOTSBHOMSA-N
-3409BDF7D78ACFA3_0B75416A64E38CCD_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)Cl)C(C(C)OC2=CC(=CC=C2)F)=O,KDHSCMTZAXXQTO-UHFFFAOYSA-N
-3473B5B3265CE3B8_92F2772EEE6305C4_6041_UN,C[N]1C=NC2=C1C(=NC=C2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,HPYIAHPLGAPQID-JQWIXIFHSA-N
-376ADC03EECC07C1_D2D705E936238198_6041_UN,OC(=O)CC2=C(C=C1OCOC1=C2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,UHNBSALEWUOPFV-UHFFFAOYSA-N
-37ADD602F9CD2EC4_9CE7F2B22943C9F3_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC3=CCOC3=O,RIFYCHCITQEWGQ-UHFFFAOYSA-N
-37B78ADB8698F7C4_14BDD77F560D283C_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,DBDQPKOFTYWZAU-AULYBMBSSA-N
-3815413C465E03AB_5A0CC51AF118D009_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,HCGCDXATPORTHJ-KESTWPANSA-N
-39870A646B32A7FB_7459865F05D81ADF_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=CC(=C(C(=C2)Br)Br)Br)(=O)=O,BWCACYBUXLFRPW-UHFFFAOYSA-N
-3A4B1AE1F6F284E9_09A1A45206B57C0A_6029_UN,C1CN(CCN1[S](C2=NC=CC(=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,HHCXGOQXRQPMKV-UHFFFAOYSA-N
-3B57B38DBC765122_C77FD3D3B5477DD8_7019_UN,CC(C)C1=CC(=CC=C1)NC(=O)C=CC2=C(CO)C=CC=C2,AXXLLFLYCVUFNM-UHFFFAOYSA-N
-3CACB3128970BE24_078DA5ACC5BFC0A6_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,SQDWNVGPSCFXEF-UHFFFAOYSA-N
-3D07C6EC32D00455_DDB48F19DF59F1C9_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCC(N(OC)C)=O,PFAGOJFCHLCPPD-UHFFFAOYSA-N
-424A75F9FF9CF818_FBAD63B2C18A24B3_6029_UN,C2CN(CCC1=C(C=CC=C1)C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,JGFJKMNBWWXDIE-UHFFFAOYSA-N
-4412AE8D72DCDAA7_15F13FFFB195D01E_6028_UN,ClC1=C(C=CC(=C1)Br)C2=NN(C=C2)[S](C3=NC=C(C=C3)C(=O)N4CCCC4)(=O)=O,JKFFKRFDJPDUPV-UHFFFAOYSA-N
-45F3026222B4F18C_1ECFE15CB0AE6257_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@H](CF)CCC(=O)O,BIECZCRAGXNTOU-JTQLQIEISA-N
-46907612246CCECC_9B4C3D59535474AC_6029_UN,N(C1=CC(=NC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,GIKFQYLZWMXXLN-UHFFFAOYSA-N
-475B7DEB21D1D371_451866FD5164254A_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC3CN(CC)C3=O,GJJPIMXIFOXQPY-UHFFFAOYSA-N
-491EDE85533E462C_18BF5CAB5BE8F004_6029_UN,C3CN1C(CCC2=C1C=CC=C2)CN3[S](C4=CN=C(C=C4)C5=CSC=N5)(=O)=O,ADLFGSDNSWFVFR-UHFFFAOYSA-N
-4982D96DC1ED611B_4A16AE3135B25D4C_6041_UN,OC(=O)C=CC1=C(SC=C1)NC2=C(C=CC=C2)N3CCOC3=O,IOTSVFJOXXVPCV-UHFFFAOYSA-N
-4B74A8825553EA23_299F315FCDCD7589_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NCC3=CN=C(N2CCN(C)CC2)C=C3,QWQKDVWJPZTSIZ-UHFFFAOYSA-N
-4BACA450FF702847_7EC0FF30D9C15993_6038_UN,CCN1CCN(CC1)C(=O)CNC(C=C(CC)C2=CC=C(C=C2)C)=O,UHFMXIJAWGPLAG-UHFFFAOYSA-N
-4BCAE7F4234AAF43_933331F5E74B943E_6029_UN,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,XLVFDDCINSIOFN-UHFFFAOYSA-N
-4CD3706F5DAD603F_03C03420812F4F16_6041_UN,O[C@H](CBr)C1=C(C=CC=C1)NC3=C(C[S](C)(=O)=O)C=C2OCCOC2=C3,VBKHFCUAXMTJHA-MRXNPFEDSA-N
-4CEA8127E38D6331_F76CC21EA6AD345D_6029_UN,N(C(CC1=CC=CC=C1)C(F)(F)F)[S](C2=CC(=CC=C2)I)(=O)=O,HTYNVDWIKXNGQL-UHFFFAOYSA-N
-4E0BFA20E4A4DC0E_CA6E0FB54789C7CC_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=C(CO)C=C3)(=O)=O,DDLZLPDPHZJPER-UHFFFAOYSA-N
-4FDDD2F7F362908A_FBAE890950F58F21_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(F)C=C(C=C2)Cl)(=O)=O,KJFJMRQPYKVZKT-UHFFFAOYSA-N
-52D7101A33B213F0_549CD9252F8DA7A2_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5CCN(C4=C([S](CC)(=O)=O)C=CC=C4)CC5,RBZVJPWJMSXLAT-UHFFFAOYSA-N
-53551C09EBF225E0_539176C88CBC5A01_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)N[C@H](CC3=C[N](C)C=N3)C(=O)O,MAXHIEAJYRXHQU-OAHLLOKOSA-N
-5365BAF013BCBA11_893CC2B71E480D22_6003_UN,CC3=C(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C(=O)CO3,LOKXIYVGHROKPB-UHFFFAOYSA-N
-53784EA7DC818840_64482350EF850A93_6028_UN,C1CC(CCN1[S](C2=[N](=O)C=CC=C2)(=O)=O)C3=NC(=CC=N3)C4=CN=CN=C4,POGZJFWYCQEABI-UHFFFAOYSA-N
-5827DE420FB669E2_ADD5E33F4EA4D4F9_6003_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C3=CC=C(C(O)=O)C=C3[N](=O)=O,GXFSCUFUJVSDTE-UHFFFAOYSA-N
-58C9615756520317_821BBC1F2AB91FE9_7015_UN,BrC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,MSYZKMPXZNBBKX-UHFFFAOYSA-N
-59FB57935F353362_7A0068B3D49DAB8F_6026_UN,CC1=NC(=C(S1)C2=CC=CC=C2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,WFFNEPSTJPPFQW-UHFFFAOYSA-N
-5AD6005F7FD776C2_7C0B0F093AD58D11_6029_UN,OC1=CC=C(C=C1)C2CN(C2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,MAZJEJUYTKJIQQ-UHFFFAOYSA-N
-5B4CC6074B16B406_AFDCB31730CA54D3_6029_UN,C1CC(CCN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=NC=CS4,SSVLSBGQKJXIGD-UHFFFAOYSA-N
-5DCC0B7B2E88FE15_124F4CBC1CCC8C82_6041_UN,O=[N](=O)C1=C(C=CC=N1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,FEVHJFDWVGFZBB-UHFFFAOYSA-N
-5E13B2E80C2CEDDC_AB60BA06681CC629_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C2=CC=CC(=N2)N3CCN(C)CC3)=O,DCRIGELQIOPDST-UHFFFAOYSA-N
-5EAFEB622DB2CB31_BB15DDE52494C946_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(C(CCC)CCC)=O,VNINCVTVQHIVOX-UHFFFAOYSA-N
-5F1F6BA1419A6FD0_06CBD53815BA45A0_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,UKQHQUQGKNKRDS-UHFFFAOYSA-N
-5FFBAF9069C55944_F8CADD04A6B6FE76_6026_UN,FC(F)C1=CN=C(C=C1)[S](=O)(=O)N2CCC(=CC2)C3=CC4=C(C=C3)OCCO4,XNTVGYRNLGDDJN-UHFFFAOYSA-N
-614BAE838E368E0F_7E169092D4EF5959_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC4C3=CC=CC(=C3OCC4)CC,JFZBTVNZFPFKSO-UHFFFAOYSA-N
-631F37B86EFADBA7_09D9FE9539CEF2B7_6041_UN,C[N]1N=NC2=C1C(=CC=C2)N[C@H]4[C@H](C3=CC=N[N]3C)C4,NZWCCSDHLSISCS-BXKDBHETSA-N
-6384BB6889D0B8BA_053DE569A159598D_6028_UN,C1CC(CCN1[S](C2=C(C=CC(=N2)C3=CC=CC=C3)C#N)(=O)=O)C4=NC=CS4,PNJRJQYBBSRRBU-UHFFFAOYSA-N
-6424152D3A755B95_3493A1D5ACC2AFEF_6029_UN,C1=N[N](C=C1C2=CC=NC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,DULMTSYRSLWGNX-UHFFFAOYSA-N
-661456DEAF35FBF0_9409B95E93A483A4_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)Cl)Cl)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,KCIRGWVUWYRJIS-XYPYZODXSA-N
-66ABC677CDB619AB_A2858757009962DC_6029_UN,C2COC1=C(N=CC=C1)CN2[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O,WNPPWXPTSLVPJD-UHFFFAOYSA-N
-66BF82AF50C8943A_C5730498798DB272_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)[N]3C=C(C)C=N3)(=O)=O)C4=CC=CS4,XEQMPHFCGHYPHY-UHFFFAOYSA-N
-66D850B3AE6C8C5A_1F3C2079CA5D547B_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC3=C(NCCO3)C=C4,ATGUYPLKEKXODS-UHFFFAOYSA-N
-6759B5320853C309_760200CC2B77935C_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@H]3CCOC4=C3C=C(C)C=C4C,PUGPRWZDUKYSHQ-SFHVURJKSA-N
-6810A8D7462E40A4_312539DEAF0549DB_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,CEYAXZAKIPWZHG-UHFFFAOYSA-N
-68865DD69EDDB3E5_C44358233F8AFAE1_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@H]3CCOC4=C3C=C(C)C=C4C,ZIRIGJIEPDDQGJ-IBGZPJMESA-N
-688F2CCAF145DA55_372F3E723D73E4DE_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,OFROMUXZSSXPBM-IRJFHVNHSA-N
-6916718777648DB2_987DA985DC91DCAC_6041_UN,FC1=C(C(=CC=C1)C2CC2)NC3=C([P](C)(=O)C)C=CC=C3,CWUBEABSIAADGG-UHFFFAOYSA-N
-6B2BE89BAEA90708_615876BE4B0685FE_6029_UN,C[N]1C4=C(C(=C1)C2=CCN(CC2)[S](C3=C(O)C=C(C(=C3)I)F)(=O)=O)C=CC=C4,INTLVPQHWOYPIJ-UHFFFAOYSA-N
-6C30382533C2C143_BE90BDE3DC90A952_6041_UN,C2(=C[N]1CC(OC(C1=C2)=O)=O)NC3=CC(=CC=C3)C4(CC4)C(=O)O,KOEZFDNRJNDOHJ-UHFFFAOYSA-N
-6D1E762062261D53_EF023781DDBD327D_6029_UN,N(C1=C(N=CC=C1)[N]2C=CC=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,BCRWJQVHQJRILL-UHFFFAOYSA-N
-6D8E67105D606C0C_AD84239115D5D6BC_6041_UN,C[S](=O)(=O)C1=CN=C(C=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4,AMLHWKXRLCHDPN-UHFFFAOYSA-N
-6DB7104551AE3339_599FEA1713C3E7CE_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NN=C(O2)C3=C(C=CC=C3)NC4=CC5=C(C=C4)B(O)OC5,UEOPCCRFKGDRCI-UHFFFAOYSA-N
-6EE22348B83733A0_775E92B62CC2BD53_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C3=C[N](C)N=C3)(=O)=O)C4=CC=NC=C4,UVCKPRDXVWYVHA-UHFFFAOYSA-N
-6F839E1EC15B73D2_F5AD768B80D9B646_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=CC(=CC=C3)NC4=CC5=C(C=C4)B(O)OC5,BIYVXICTDCXBQG-UHFFFAOYSA-N
-706D5A7545C53BAC_CB6C8756D25C3911_6041_UN,C[S](=O)(=O)C1=CN=C(C=C1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,KWQQKVNZVNYRNZ-UHFFFAOYSA-N
-70AE4282586ABDD7_15664B037FB34FBF_6038_DP,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C3(OC)CNC3)=O,AUXLTVFEGLDGFV-UHFFFAOYSA-N
-74863C09CDD88649_4ED287321EDCAA73_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC4=CCOC4=O,FQAGLTIKVJQLTF-UHFFFAOYSA-N
-749A0BA0C78FC0F4_4C0AE1B01E05F5F1_6038_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VWJRICMVXJHFKZ-UHFFFAOYSA-N
-76BD32FC0C988D4F_C0A3C6228B13F3BB_6029_UN,N(C1=C(N=CC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,LSLWAHHHGZOMEB-UHFFFAOYSA-N
-780953AD0EE37E09_83427867EC06C83A_6029_UN,CC(C1=CC=CC=C1)C2(CC2)N[S](C3=CC=C(F)C=C3)(=O)=O,YTPBSBMZCQTVQX-UHFFFAOYSA-N
-790F0B6645715335_ACD48487897700D2_6029_UN,C1C(CN1[S](C2=CC(=C(C=C2)F)C(O)C3=CC=CC=C3)(=O)=O)C4=NC=CC=C4,RADLWISIMCMQEA-UHFFFAOYSA-N
-79789D980FD5536E_B8E223AF9E1742C6_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,FMNFSSCIZDZNEJ-UHFFFAOYSA-N
-7B9CA1232BD03475_800D14DF73E4A88C_6038_UN,CN(C)C(=O)COC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,GOUGDTVMHMGKQR-UHFFFAOYSA-N
-7BA0D78205B877E2_2B1790689A8FD5E8_6038_UN,CN(C)CC1=CC(=CC=C1)CCNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,JRNGANAEJQYEIY-UHFFFAOYSA-N
-7BE902E8FDE868CE_DA935DADABBB41AC_6041_UN,F[S](=O)(=O)C1=NC=C(C=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,XKZQMZNOAMEEND-HNNXBMFYSA-N
-7C2461EDAAC07C2E_5B66337397320F14_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NC3CC(C)(C)OC4=C3C=CC=C4,HHODTFUANBHKAS-UHFFFAOYSA-N
-7DA1BD1CFC7071E4_57B044EC10751963_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(COC)(C)CC(=O)O,DYEMYJOTDYKSRN-UHFFFAOYSA-N
-7E65EDD7AE6F975E_1FFC33FFB49D244E_6027_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,RCSPVGOUZBFAGO-UHFFFAOYSA-N
-7F3AEF4045195A59_E4D6F971CAF45C5D_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)C3=CSC=N3)(=O)=O)C4=CC=CC=C4,CGNYBPXGVHEOHL-UHFFFAOYSA-N
-7F5742D689392916_E07484E0F1FAF15F_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(F)C=CC=C3F)(=O)=O,FHSPTJBIRMHWJF-AULYBMBSSA-N
-816A97869CF07AD2_B0429E8EAA1FBABC_6041_UN,C[N]1N=C(C2=C1C=CC=N2)NC(C)C3=NN=C4CCC[N]34,NZTHYGRZLUMQEH-UHFFFAOYSA-N
-8312FB8EA418BF1B_A926D4947AC244F4_6027_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WNSBTGNQKQZXDO-UHFFFAOYSA-N
-8312FB8EA418BF1B_A926D4947AC244F4_7015_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WNSBTGNQKQZXDO-UHFFFAOYSA-N
-8312FB8EA418BF1B_CCE6F1146A8CC348_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,WNSBTGNQKQZXDO-UHFFFAOYSA-N
-83E460361835C1B8_E35F590D19C56C56_6041_UN,OC(=O)C1=CC5=C(C(=C1)NC2=C(C)C=CC(=C2)C4=NC3=C(C=CC=C3)S4)OCCO5,UVXGJCSOYNGZDY-UHFFFAOYSA-N
-8458081348149E2E_68DA79B527E36EED_6041_UN,C1(=CC=C(C=C1)C2=NNC(C=C2)=O)NC3=C[N](C)N=C3C(=O)N4CCC4,NNBNPROYMVWZNL-UHFFFAOYSA-N
-847B08B4D1666C37_2678965810E98FDB_6029_UN,C1CC3=C(N(C1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O)C=NC=C3,ZEGSUNGWKXHJMR-UHFFFAOYSA-N
-84CDF67FB5AFEEB8_37830F6124087A1B_6038_UN,C[N]1C=NN=C1C2=C(C=CC=C2)NC(C3N(C)CSC3)=O,VPMOPXZFZDBZNN-UHFFFAOYSA-N
-8517AAB618D15949_8A52B4EB11A7E7AD_6038_UN,O(C1=C(C=CC=C1)[S](=O)(=O)Cl)C(C(C)OC2=CC(=CC=C2)F)=O,YLIFNMJRCGZUES-UHFFFAOYSA-N
-88D618F6DED49F19_003485C311563B34_6038_UN,CN(C)CC1=CC(=CC=C1)CNC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,HXSHWHLBNDOLPD-UHFFFAOYSA-N
-89247DFB65B48BA1_E2410C8243B559DD_6038_UN,O(C1=CC(=CC=C1)C=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,YATPTLKAIJQTOV-UHFFFAOYSA-N
-89708A0A79D7951C_A281E2D7B3AA8633_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CCC)C)=O,NLGPJPJFAKLTMZ-UHFFFAOYSA-N
-89F82FF52BFCC541_7DDBDB66D756BE06_6003_UN,CNC(=O)OC1=CC(=CC=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,WDDPKRZOITYNRH-UHFFFAOYSA-N
-8A5FCAC32658D990_C5602C47B452C1FF_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4=CC3=C(NCCC3)C=C4,OZNZVPKBEUZXOH-UHFFFAOYSA-N
-8ACB3CC771905FB0_E5E0B16BCF3675A9_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)NC4=C3COC(C3=CC=C4)=O,OPJCZZBYZQWDOI-UHFFFAOYSA-N
-8AD39447FA07CD92_317A540942C0CA19_6035_UN,CC(OC1=CN=C(C=C1)[S](=O)(=O)F)C2=CC=C(C=C2)C3CC3,NMZVTYQMRRXCFT-UHFFFAOYSA-N
-8BE1374A32A00C43_F37188F372C4C3FF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)N[C@H]4[C@H](C3=CC=C(C(C)C)C=C3)C4,VZAPFIFFVIUZEP-VQTJNVASSA-N
-8C67B88438C1B631_7688423EF4B4E166_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C3=C(C=CC=N3)C#N)(=O)=O,ZIMISGPAZQNYQN-UHFFFAOYSA-N
-8C8564B8DCCAB0C7_E03B4FD32C3EBF33_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC(C)C3=CC=C(C=C3)C4=N[NH]N=N4,GSPJXOZXYPWJBJ-UHFFFAOYSA-N
-8F96C1FEAC14C3F6_E509CE269FF86AF4_6041_DP,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CCC)C(=O)O,QDYLWJHCDGSHRH-LBPRGKRZSA-N
-8F96C1FEAC14C3F6_E96E877FEA9AE82F_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CCC)C(=O)O,QDYLWJHCDGSHRH-LBPRGKRZSA-N
-9091D9AC7ED8B9A6_0F6C46A645D7E58F_6038_UN,CCOC1=CC(=C(C=C1)NC(CN2C(CN(C)C2=O)=O)=O)F,CQLWRKTXRRUDAZ-UHFFFAOYSA-N
-92859A4A945A8418_3731A52061A2675C_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H]3CN(C)C(C3)=O,CILDJNZUZMANGO-LBPRGKRZSA-N
-940C2DBDE2109E31_0069120B655F9427_6038_UN,CN(C)CC1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)C,CBRZFXCBHNTVIV-UHFFFAOYSA-N
-94CACE9C55EFCF3E_8E5EE157F0EC97F8_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=CC(=C(F)C=C3)Cl,JNBAZSCETHDZTI-UHFFFAOYSA-N
-98D4ADF1F144DE13_93671F1F0ED790FE_6038_UN,N(C1=C(C=CC=C1)C2CCC2)C(=O)CSC3=NN=CS3,NTLATMZXYXENCG-UHFFFAOYSA-N
-98F011FDA20409F2_BE203EB68BDE7491_6038_UN,CN(C)C(=O)COC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LYCMEWZRYURHNO-UHFFFAOYSA-N
-991FA5809377B44B_BC549984B1D48C52_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NCC4=C([S](C)(=O)=O)C=CC=C4,NBHOVIGBBAQGRV-UHFFFAOYSA-N
-9BC8058D7D36DEF3_42BFCF0849A889FE_6029_UN,ClC1=CC=C(C=C1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,MPSZKSSVUHTPGE-UHFFFAOYSA-N
-9C82A51590616F90_A167ACA6E68D421C_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(C=C3)C#C)C)(=O)=O,FCEAZIAOBMZUBS-UHFFFAOYSA-N
-9D04F739B3C80E27_7AED66806DC5431E_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CCC4(N)C[S](C4)(=O)=O,VVQSYOTYXAJXBO-UHFFFAOYSA-N
-9D3B055FD69ADEA9_85395528B8DC50FF_6029_UN,C1CC(CCN1[S](C3=CC=C([N]2C=C(C)C=N2)C=C3)(=O)=O)C4=CC=CC=C4,RBVNVEUEEXRXMT-UHFFFAOYSA-N
-9DEC0E24F11D8936_062550AA10025DB7_6038_UN,C[N]1C=NC(=C1OC2=CC(=CC=C2)NC(=O)C3=NC=CN4CC[S](=O)(=O)N=C34)[N](=O)=O,ZRSLPSNGENEVDA-UHFFFAOYSA-N
-A038E9B9E6F1EFC7_555FC91C62C39838_6038_UN,CCN1CCN(CC1)C(=O)CNC(C=CC2=CC=C(CC)C=C2)=O,ARCMZEGUOLXPSR-UHFFFAOYSA-N
-A0E3221DD6C602C6_D2C9725BBA9848C1_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OCC)C=C(C=C3)C(=O)N(C)C,UUFHOBVKYIKBTB-UHFFFAOYSA-N
-A433B048590839F6_A47D451711BD9C15_6038_UN,C[N]1N=CC(=C1)[C@H]2[C@@H](C2)NC(C4ON=C(C3=C(C)C=CC=C3)C4)=O,VZIAKJLDZDLRFS-BTPDTDQASA-N
-A4CB18246DEAF117_39ED55C6B213F711_6038_UN,CCN1CCN(CC1)C(=O)CNC(C(C2=CC=C(CC)C=C2)C)=O,FVWYHBDFVLBICN-UHFFFAOYSA-N
-A50FD50E9D0BFBA4_6384300F27B781B0_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4)F,KHPJARMWHLYYNU-UHFFFAOYSA-N
-A5AFBE9EC0B9F5AA_F67C96F4F6CBAEEC_6029_UN,CC1=CC(=CC=C1)C3(CN[S](C2=C(CBr)C=CC=C2)(=O)=O)CCCC3,IUOYMJTYLYDIJI-UHFFFAOYSA-N
-A61B4A2BE2C09601_DC8E767B8488402F_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC2=CC=C(CCCC)C=C2)=O,UAHYNDBNQPVYRF-UHFFFAOYSA-N
-A80DEAA5B14DC211_4AD84FC13A8B940C_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4ON=C(C)C4)=O,SWCNGEVDHKINLC-UHFFFAOYSA-N
-A836621D8D99B6DA_21733446CBC03B24_6038_DP,N(CC1=CC=C(C=C1)C2=NN=N[NH]2)C([C@H]3CSCN3)=O,LZOCGLVLUYHUGR-SNVBAGLBSA-N
-A8445650249ABBE8_26A4ACEB47B79C33_6038_UN,CN(C)CC1=C(C=CC=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,MJDCXPZXHHEGIN-UHFFFAOYSA-N
-A91FBA206EA4B5B4_D3EFB9E5A4254C9D_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(=O)C3=CC(=CN=C3)N4CCCC4=O,ARJRWEZVYNRFNV-LJQANCHMSA-N
-AB660954DD021B67_F7B7F43D49ED41DE_6038_UN,CN(C)C1=C(C(=CC=C1)NC(=O)CN2CC(=O)NC2=O)C,UTSXFQZGTLZXEJ-UHFFFAOYSA-N
-AC1DE19A0B5B8103_AE223F857BEA523F_6041_UN,OC(=O)C1=C(C=C(C=C1)[N]2N=CC3=C2C=CC=C3)NC4=CCOC4=O,GRMXNRBVTGYGGZ-UHFFFAOYSA-N
-ACCB81A34F5B252A_6696FC3390A88AB2_6029_UN,CC1=C(C=CC=C1Cl)N2CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,WMDJDFJQHFHZIU-IBGZPJMESA-N
-AE7B0C8FAF90646D_6B66417C8C8588F6_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(CN3CC(N(C)C3=O)=O)=O,XJVBSPLTZQRDLZ-UHFFFAOYSA-N
-B073DBD058F79309_82CC7F69AE8367DC_6041_UN,OC(=O)C1=C(N=CC(=C1)F)NC2=CC(=CC=C2)N3CCOC3=O,IXFSMMJATXGYOS-UHFFFAOYSA-N
-B09A941739A3C961_9ABA1A7927D595BC_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)F)Br)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,ZNJHNLDBFQHEDS-XYPYZODXSA-N
-B2106C9112ACDA67_A7DD29DB711CA625_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC=C(C=C3)C4=NNC(=O)CO4,CXLJKGZKDVSDRG-UHFFFAOYSA-N
-B2BB80D93C9570C6_252FDC54150DEFD7_6029_UN,C1CC(CCN1[S](C2=NSC=C2C#N)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,SLMAGFLBTDQKRK-UHFFFAOYSA-N
-B31FF20B084350D7_0CD7C6950D9A3DC8_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Br)[S](C3=C(F)C=CC=C3Cl)(=O)=O,SVWKTOYASUOMSA-AULYBMBSSA-N
-B3F4F30BB6DCE0E6_C826B55B6D6E4188_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C([C@H]3N(C)C(CC3)=O)=O,SDAJYCVMKSRZHL-NSHDSACASA-N
-B5A6CDC1368195FF_45E1A64FA1892C09_6038_UN,CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WXAKDWZYEPFJIM-UHFFFAOYSA-N
-B64A1DADAC7EE1B2_486B593DF50C5654_6038_DP,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=CC=C(C(O)=O)C=C3)=O,OZVYJCKFRBKKPB-UHFFFAOYSA-N
-B6C29545B17F72E3_6F1F4E8E1169A1E9_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C=CC4=CC=C(C(O)=O)O4)=O,QPBBTZCBBLGMDG-UHFFFAOYSA-N
-B79FA57829490741_424D292CE8CDCD2A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,OPGMLOWNLMTYQX-UHFFFAOYSA-N
-B84AC91E466A82A1_227329F43D0469AE_6029_UN,CC1=CC=C(C=C1)CN[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O,MTAUEXDQYAFPJU-UHFFFAOYSA-N
-BA6AE4B7E699DD30_E4E1D6885AB8D1F2_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](CF)C(=O)O,ZMXYKSTVMUANHN-SNVBAGLBSA-N
-BC85E01E4AEC4733_0C1C43C52E7BE542_6026_UN,CC1=NC(=C(S1)C2=CC=CC=C2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,DFVXWFUCSZWUKI-UHFFFAOYSA-N
-BD7813A91CA62924_79698E773F0D42B3_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCC(N(OCC)C)=O,IZJBXFRMDKQDFM-UHFFFAOYSA-N
-BEA701EAFCA846D0_9EB5232BB4B37659_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4ON=C(CC)C4)=O,UGHRIKKPLUKWMN-UHFFFAOYSA-N
-C03C1E1494442F5E_38D3313BD2668117_6038_DP,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3=CC=C(O)C=C3)=O,GVCAPXWBPMFECQ-UHFFFAOYSA-N
-C0B9EC63E1DDA4C5_FE6941FECEEE0087_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)F)Br)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,PXQJGCFFRDFLIA-XYPYZODXSA-N
-C0FA3670B188F801_14BEDE00959FF9E6_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)F)C(C(C)OC2=CC(=CC=C2)F)=O,UQHVEFWVCRDTNI-UHFFFAOYSA-N
-C2408012D1D88F8E_742ADA40392E0A00_6029_UN,C2CN(CC1=C(C=CC=C1)C2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,VMAAVNDRJQZGKJ-UHFFFAOYSA-N
-C3E9D17E5D29A3B5_09A41E6CC1212240_6038_UN,CCN(C)CC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,UPJNULOVGVMSKP-UHFFFAOYSA-N
-C4526392F88532E3_282312B6868F4D70_6029_UN,FC1=C(C=CC=C1)C2CCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,YBDCOUILIVKENM-UHFFFAOYSA-N
-C5826B7BC0479FC3_40BAB44590DBA080_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,DPKOZEYCUCZNOL-UHFFFAOYSA-N
-C59040F07B45C2C9_2C41835A56B606AB_6041_UN,CC2=C(C=C1OCCC(C1=C2)=O)NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,MAHNGCQEDHQSOS-UHFFFAOYSA-N
-C60C04A68FD2A2EE_B33DFFA8715D7883_6029_UN,C1N(CCC(C1)C2=NC(=CC=N2)C3=CC=CC=C3)[S](C5=CC4=C(OCC[C@@H]4O)C=C5)(=O)=O,SEZHFMIAXKCZHK-QFIPXVFZSA-N
-C6AE7775D7BE08EE_5BBEA905BAB744D9_6028_UN,N(C(CC1=CC=CC=C1)C(F)(F)F)[S](C2=CC(=CC=C2)Cl)(=O)=O,HHLLFSZWGBEOKA-UHFFFAOYSA-N
-C6E17EBA1E3CA485_FF3F0EED8CD6AA4C_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@H]2[C@H](COC2)C(=O)O)C=CC=C3,GMCXGSVIYPABOF-CMPLNLGQSA-N
-C71FB61561620B52_82CF84C05B6C02F1_6029_UN,C1CN(CCN1[S](C2=CC(=NC=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,MITUPDWGYRCCGV-UHFFFAOYSA-N
-C7D7C57200EF9345_4CEEEA91FA2324E5_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O)C,NRUDSFPUACTREY-CYBMUJFWSA-N
-C8671023EAD678A6_B3BF1FC0D4BA80DF_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCCCC2=CC=C(C=C2)[S](=O)(=O)Cl)CC3)C=CC=C4,SLILVYGEZXHOJT-UHFFFAOYSA-N
-CCD8211DDC2BFF00_6963836E867F3CFE_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3=CC(=CC=C3)C4CCC4,BDBRINQIMVTZHY-UHFFFAOYSA-N
-CD68D7B87E2A91DA_5D37F683E9E9E387_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC3C(C4=C(OC3)C=CC=C4)=O,YRISCUXPHWAJQI-UHFFFAOYSA-N
-CD7FF875B16F3447_31CF8AA759AD38D5_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC=C(C=C3)N4CCOCC4=O,YKMXYQIXFFGDRI-UHFFFAOYSA-N
-CED26ABFA7B508B2_EDC1DB6D04DC77C2_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NN=C(O2)C3=C(C=CC=C3)NC4=CCOC4=O,BZRGEECJFBUKOU-UHFFFAOYSA-N
-D07A4340FC3BDF17_54EF4AC915F22153_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CN(CCCCCC)C)=O,ZPDIWVPEQPOXEO-UHFFFAOYSA-N
-D25EC0B592C669EB_E02C525D85EB08D8_6029_UN,FC1=C(C=CC=C1)C2=C[N](N=C2)[S](C3=NC=C(C=C3)C4CCC4)(=O)=O,FVUVNMDDOZDBHB-UHFFFAOYSA-N
-D3AD18B4AF06A882_B6DE8F49DE7F5022_6026_UN,CC1=NC(=C(S1)C2=CC=CC=C2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,YGLOKXRQSIUJPP-UHFFFAOYSA-N
-D40C57E6BED91E01_E1783C58C4D76701_6028_UN,N(CCC1=C(C=CC=C1)Cl)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,NRHAZCNXHHDDAP-UHFFFAOYSA-N
-D4AE5B88867E562D_0D7ACB38B151B5E9_6038_UN,CN(C)CCOC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,SBHYOWDCOUXMGT-UHFFFAOYSA-N
-D5E1C25AB46A24D9_91F602DC7C45FA5A_6029_UN,C1CN(CCN1[S](C3=CC2=C([N](C)C=C2)N=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,ZRLDOAIHCONVDL-UHFFFAOYSA-N
-D991A5F93AA3F3FD_14C4EB19558C1970_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)NC4=C3COC(C3=CC=C4)=O,YFJJPPUMDJKKQI-UHFFFAOYSA-N
-DD746B27D4A75046_C6F85CE1B249194C_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(C=C(C=C2)Cl)Cl)(=O)=O,RGXJVMMVTYDCON-UHFFFAOYSA-N
-DDB0CDC5A70C82D8_D9F25632F0BCA0F6_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3=CC=CC4=C3OC(C)C4)=O,ZCMBEYWUFAYDFE-UHFFFAOYSA-N
-DE0F204C29A9117A_7F1459B76968C21B_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CCC)=O,RPTQNPJNBFXHHQ-UHFFFAOYSA-N
-DE5D06F874D0F503_29E64ABBD4875AFD_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=C(C=CC=C3)N[C@@H]4C(OCC4)=O,DTEKLLKIDNBTCV-HNNXBMFYSA-N
-DFEFD2A9CD12DC2B_CED5676D475CFF38_6006_UN,FC1=C(N=CC(=C1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C)OC3CCCC3,ZVWKEFPCQXDSIY-UHFFFAOYSA-N
-E0812A6F712FD929_8540335534FF319B_6041_UN,OC(=O)CC1=CSC(=N1)C2=C(C=CC=C2)NC4=C3COC(C3=CC=C4)=O,RQPJUPZTHQETIP-UHFFFAOYSA-N
-E0A01E327758F297_4699B1701E76D684_6041_UN,C1(=CN=C(N=C1)N2CCC(=O)CC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,MAHIVJVGIBUQLE-INIZCTEOSA-N
-E12DB44B3B76F9E4_648326B701564538_6041_UN,C1(=NC2=C(C=N1)C=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,QBFRNEINJCPNJC-BETUJISGSA-N
-E28340D82916E744_900441285EF1FCFD_6041_UN,FC1=C(C=CC(=C1)[S](=O)(=O)F)NC2=C(N=CC=C2)N3CCCCC3,KIUNAOUKPXTNBQ-UHFFFAOYSA-N
-E32308EAF0BF0239_5C7D6AC29A27FC7D_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCC4,RNSUFAVFVTWOFW-UHFFFAOYSA-N
-E40E3FE3A8151D28_BCC1C0F28CC78139_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=C(Cl)C=CC=C3Cl)(=O)=O,XQNGYYVLLMDRCE-AULYBMBSSA-N
-E4D7666DC194A617_4136F8AB819AF486_6003_UN,CN3CCC(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3=O,WFNOIYVVBRYUEA-UHFFFAOYSA-N
-E538B86C3C336F3C_CBF2360BAC748745_6029_UN,N(C(C1CC1)C2=CN=CC=C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,PJWMKUAWMZMQQR-UHFFFAOYSA-N
-E79070876231C21F_82C3D7CB5C06740C_7019_UN,C(C(=O)NCC1=CC=C(C=C1)COC2=CC=CC=C2)=CC3=C(C)C=C(N=C3)O,VBBXMQHCVIPZDJ-UHFFFAOYSA-N
-E7DCA54ACE731A38_27A385F25BC38393_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=NC(=CC=C3)C4CC4)(=O)=O,MVQCQHKZTWZMFL-UHFFFAOYSA-N
-E9E742A0BB886F24_C468DB22EA76BB40_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CC=C(O)C=C3)=O,YNUPRKJWINRMAG-UHFFFAOYSA-N
-EADB4AD48C7E6048_BFA4CBDC60A9938F_6038_UN,CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,VFRRBRSNVGEPTG-UHFFFAOYSA-N
-EB4376EACB2E69F9_D4AF3B07549284B5_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,WFXYHYZHTCHQOA-UHFFFAOYSA-N
-EC6E29695622A751_BFBB8862517E666A_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=CC=C(CCC)C=C3)(=O)=O,ZASRUGNRIGSLRI-UHFFFAOYSA-N
-EC8926E76E37D239_B1E392959D55E8EF_6027_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,HLWCRJYMBXAICU-UHFFFAOYSA-N
-EC8926E76E37D239_B1E392959D55E8EF_7015_UN,CC1=NC=C(C=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,HLWCRJYMBXAICU-UHFFFAOYSA-N
-ED5B550AC15E054D_3D7143A0455AA9E3_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(N=C(C)N=C3)C)=O,KFFURWKHODDNMU-UHFFFAOYSA-N
-ED72EBF2195160A7_FB1DFBE822F89A89_6026_UN,ClC1=CC5=C(C(=C1)[S](=O)(=O)N2CCC(=CC2)C3=CC4=C(C=C3)OCCO4)N=CC=C5,JMBWWTNIGAWOOF-UHFFFAOYSA-N
-EF3953435B1C3CD7_9167340CEBB3F2A1_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(C(C)OC2=CC(=CC=C2)F)=O,LVHODUIDXNDKQS-UHFFFAOYSA-N
-EFE180DCC60B63A3_5C7C68634AE5D01A_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=C(C=CC=C3)NCC4OC(OC4)=O,SEWIDRTUIAIYDQ-UHFFFAOYSA-N
-EFFD174FC0D2832C_37F6618B1E1F7594_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4=C[N](C)N=C4)(=O)=O,FPDAXUPPKOMHMY-YLJYHZDGSA-N
-F11B7C1DB30AF6E8_0D782ADFCFF93249_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC[C@@H](C(OC)=O)F,TULHYRPMSRDQRC-NSHDSACASA-N
-F20665A887E5FD26_C51E5E1B31685991_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3CCN(C3)C(=O)CC4=CC=CC=C4,LRNCSFPBOGBBTN-UHFFFAOYSA-N
-F32CE13E44571AA2_72AB88448A1952E3_6029_UN,C1N(CC=C(C1)C2=CN=CC=C2)[S](C3=CC(=C(N=C3)Cl)C(C)C)(=O)=O,YCOJCFOKXJHBGK-UHFFFAOYSA-N
-F36D3615A4CF8E14_7901E30AA44D0180_6038_UN,NC(=O)CCOC1=C(C=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CWFPILAUQCXYMW-UHFFFAOYSA-N
-F41CC362EF4E12BF_C9238EECFA2AAB87_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC(C2=CC=C(CC)C=C2)C)=O,LTMXLBJMDLNDST-UHFFFAOYSA-N
-F476263269EF99F0_F4E3EA9F62EA9022_6003_UN,O(CC1CCC(=O)O1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,SREVRJIWSPYRMO-UHFFFAOYSA-N
-F5943B217432AB5F_2054D212B4D3AF44_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CCCC)=O,TVORMWAQOPHOJF-UHFFFAOYSA-N
-F611C6501DC83357_10CC8F7C813C53BF_6038_DP,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CNCC)=O,YYLMGGJBMMDZHI-UHFFFAOYSA-N
-F6AB4E19D4517ECB_A21C655D22AC36A3_6028_UN,FC1=C(C=CC(=C1)Br)C2=NN(C=C2)[S](C3=NC=C(C=C3)C(=O)N4CCCC4)(=O)=O,SLOHKFJKXQNDPC-UHFFFAOYSA-N
-F7349D17B28C7D96_4B9ED51236A5EAA2_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=C(C[S](C)(=O)=O)C=CC=C4,RSJUCUVKVSDCJC-UHFFFAOYSA-N
-F75434F96961A9F7_EFD03A68670BF715_6027_UN,FC1=C(C=CC=C1)[CH]=[C]2CC[N](CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,XVNFFGCEGVMFLT-UHFFFAOYSA-N
-F75434F96961A9F7_EFD03A68670BF715_7015_UN,FC1=C(C=CC=C1)[CH]=[C]2CC[N](CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,XVNFFGCEGVMFLT-UHFFFAOYSA-N
-F7D82A639E66F432_F0522A97F071BD1E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(CC)C)(C)C(=O)O,UNUKAJRLXUBWIY-UHFFFAOYSA-N
-F8973D8D77E01A89_B5E6FD9E1AD563B5_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(C(C)OC2=CC=C(C=C2)F)=O,HWUSWZBUQDPNBP-UHFFFAOYSA-N
-F9AE46D150B2861B_9825456956AF51E0_6038_DP,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC([C@H](CC(C)C)NC)=O,KUMIUKKDNAVRHG-IBGZPJMESA-N
-FA40F9DE6E0F75EF_646116765969D63D_6028_UN,C1CN(CCN1[S](C2=C(N=CC=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,GRFSEQKWFASSLC-UHFFFAOYSA-N
-FA40F9DE6E0F75EF_C40C1221278BC441_6029_UN,C1CN(CCN1[S](C2=C(N=CC=C2)C#N)(=O)=O)C3=NC(=CS3)C4=CC=CS4,GRFSEQKWFASSLC-UHFFFAOYSA-N
-rxn:2:118497:162580,CCCN1CCN(c2ccc(NC(CC)c3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)CC1,IVSFRBOLJQMZCA-UHFFFAOYSA-N
-rxn:2:80791:162580,CCc1cc(N2CCC(C)CC2)ccc1NC(CC)c1ccc(N2CCS(=O)(=O)CC2)nc1,DKBFMYBQENGNCJ-UHFFFAOYSA-N
-rxn:2:82261:162580,CCc1cc(N2CCOCC2)ccc1NC(CC)c1ccc(N2CCS(=O)(=O)CC2)nc1,PGYCQMYIUWFRSZ-UHFFFAOYSA-N
-024AA79AC95600A6_F4FA961F4B705B9C_6041_UN,OC(=O)CSC1=NN=C(O1)C2=C(C=CC=C2)NC3=C(C=C(C=C3)C(=O)O)C(=O)O,QOIHFAYXXWXZAG-UHFFFAOYSA-N
-02ECFB83B5860CD2_1D960E5739E5E53A_6038_UN,COC(=O)C(NC(C2=CC1=C(C(=CO1)C(OC)=O)[NH]2)=O)CC3=C[N](C)N=C3C,CXEJTSRLESHFJM-UHFFFAOYSA-N
-035192CC52065465_BB33E300CE7D39BB_6041_UN,C[N]1C=C(C(=N1)C[S](=O)(=O)F)NC2=CC=C(C=C2)C3=CSC4=NCCCN34,HDMDNURGUZTASV-UHFFFAOYSA-N
-038CD5CABA583CA3_D8BF6B51058AFB2B_6041_UN,CC1=C(N=CC(=C1)NC3C2=CC=CC(=C2OCC3)OC)[S](=O)O,MEDWLZCURIVDTQ-UHFFFAOYSA-N
-03F90C40027444D9_DDF0726D7DD816E2_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(OC)C3=CC=C(C=C3)F,DNWVSLIGCVLPJL-UHFFFAOYSA-N
-0405F7C1A08A2972_1153B78C98598ED6_6038_UN,COC(=O)C(=CCNC(C1=C(NC(OCC)=O)SC=N1)=O)C,OTEWQMVYGQKWNH-UHFFFAOYSA-N
-04BF53F3826664D8_AFA48BD1E05D4038_6041_UN,OC(=O)CSC1=NC(=NO1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)O)C(=O)O,OJTQOMWYEGFHBQ-UHFFFAOYSA-N
-059659392AEFB719_EBDE41D6160627A6_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CO)(=O)=O,PVSMBTLMVDNOLK-UHFFFAOYSA-N
-096D60CCCB3075B0_69B1AE070E0B442C_6029_UN,C#CC1=CC2=C(C=C1)[N](C=C2)[S](C3=C(N=CC=C3)C4(CC4)C#N)(=O)=O,KAJIKDATGRLUKO-UHFFFAOYSA-N
-0C66C96543065BC8_2E633C81B1B8C97A_6029_UN,N(CCC1=CCCC1)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,GMHOWFRDGIHUGY-UHFFFAOYSA-N
-0DC0F3D144572D9F_19895018CAD2330A_6026_UN,[S](=O)(=O)(C1=NC=CC=C1)NCC3(C2=CC=C(C(C)C)C=C2)CCCC3,HKYZQBMQTMGHMW-UHFFFAOYSA-N
-0DC643A3955CCFD7_38690B382BCBCE67_6029_UN,C1N(CCC(C1)[N]2N=CC=N2)[S](C5=C3C=CC=C4CCC(=C34)C=C5)(=O)=O,RBZCRHKCVGTUKK-UHFFFAOYSA-N
-0DC643A3955CCFD7_F977ABB651AA0B83_6028_UN,C1N(CCC(C1)[N]2N=CC=N2)[S](C5=C3C=CC=C4CCC(=C34)C=C5)(=O)=O,RBZCRHKCVGTUKK-UHFFFAOYSA-N
-116BCF76BD3DBD54_3A3C43C234692351_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(CC(OCC)=O)S2)(=O)=O,DWTPUPIERIJDFQ-UHFFFAOYSA-N
-13C1D38031474CC9_740B53A058A10FA7_6026_UN,C[N]2N=C(C1CC1)C3=C2N=CC(=C3)[S](=O)(=O)N5CC=C(C4=CC=C(F)C=C4)CC5,VUJOKBWWNLBWQA-UHFFFAOYSA-N
-148BE98ABB057CCF_CB0A5223C6EAD36B_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OCCO)C=C2)F,WXEYFNKPALUVEO-UHFFFAOYSA-N
-14F3A98BA4302F60_67957F4B907A9878_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCC3(C2=CC(=C(C)C=C2)C)CCC3,GAGZJMDFYMQECC-UHFFFAOYSA-N
-158E81ABCB896ABA_D500C94D95B7B92C_6029_UN,C1C(CN1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)C4=CC=CC=C4,WQTNASRBYVEEQO-UHFFFAOYSA-N
-15E1061317EFDB68_38A38F1C59D0CC1A_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NC3(C2(C)CC2)CC3,OMZNONDJCWHJJT-UHFFFAOYSA-N
-161127B767997D99_AF8775E1187FF370_6029_UN,OC1=N[N](C(=C1)C2CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,SNEDXFLPUXQSIN-UHFFFAOYSA-N
-171604FEFB2DB2C0_9C370184E25E958B_6038_UN,CC1=CC(=C(C=C1)N4CCC(OC(=O)C2=C[N](N=N2)C3=CC=C(C=C3)F)CC4)C,MARMFMMUZLSMAZ-UHFFFAOYSA-N
-173CF08DC2C2E975_0D3634B39EE0EC44_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,VXLMPMHHKZYCMS-UHFFFAOYSA-N
-17C8488E0CB91851_FFB25C34E36314E8_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(OC)C=CC(=C2)C(=O)N(C)C)[N]3C,ALTZSABHHBUTSX-UHFFFAOYSA-N
-182FF6799192B5FD_849535A39B62999D_6029_UN,C1C=C(CN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=CC=C4,XBYSSNTZAPLJSO-UHFFFAOYSA-N
-186F2FC0687003FE_F2D35ED1F981776B_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C3ON=C(C(C)C)C3)=O,IAAXUXJXNFVRRY-UHFFFAOYSA-N
-1A2CC587519E604D_C61BF7088F44466C_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(C(OC)=O)C=C2)F)=O,LEQBEJFCNRMWFB-LLVKDONJSA-N
-1A6B7344E5CB4985_7D7340332F702897_6029_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,MJAWFBYERDKZAL-UHFFFAOYSA-N
-1C23EAACA882D44E_3B11CB5DA5E868FA_6035_UN,CN(CC(C)(C)OC1=C(C(OCC)=O)C=N[NH]1)C(=O)C,FWJWFXUILJSKOQ-UHFFFAOYSA-N
-1CE37692EB20857B_FE4695F4AA4B9E9F_6003_UN,CC1=CN=C(N=C1)N3CCC(OC2=CC=C(C(=C2)[S](Cl)(=O)=O)C#N)CC3,MZGDPTRFVHKIFA-UHFFFAOYSA-N
-1F1AF30A92CC96CF_01BC21F07CEC417E_6041_UN,CCN(CC)C1=NC(=NC=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,SPPZOOCDMZDMKT-UHFFFAOYSA-N
-20DD40DFC869E516_E4AE09142E317C0E_6038_UN,N(C1=CC(=CC(=C1)F)C#N)C(C2=N[NH]C(=C2)CCCCC)=O,JENRHOKFBZEDGY-UHFFFAOYSA-N
-221DDA6BB9A9DDA1_49D3D7676EC5CB92_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C=C3)C#C)C)(=O)=O,OHWIGMZEROTTEF-UHFFFAOYSA-N
-22D0AC8A183DA3A7_8FB98B2D37E6E66E_6041_UN,OC(=O)C1(CC(=O)C1)C2=CC(=CC=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,UAXBUBOVRCFMMD-UHFFFAOYSA-N
-24575E32688E2896_331640F148A0FC70_6029_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC(=NC=C3)CC)(=O)=O,NIUOYNBIRMDHQJ-UHFFFAOYSA-N
-26BF1C5EFA4DB66E_428826C98D39EC6E_6039_UN,COCCSCCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,DRIFEHIUPCEANR-UHFFFAOYSA-N
-283CBD925D7E74A4_21E0035A22A8819D_6029_UN,N(CCC1=CCCC1)[S](C2=CC=C(C(F)CBr)C=C2)(=O)=O,JJJWTFOENLWJDU-UHFFFAOYSA-N
-283D4EF94D9BB18C_1D29369450F49E2D_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C4=C(C=C3)CCC4)(=O)=O,QKAJDYDJCRDGCK-UHFFFAOYSA-N
-2972C9657EF8763F_2D0C3E03AC339AD0_6029_UN,C[N]1C5=C(C(=C1)C2=CCN(CC2)[S](C3=CC=C(S3)C4CC4)(=O)=O)C=CC=C5,UTUKBRNVYFXFGV-UHFFFAOYSA-N
-2D51FE8703D88180_82A921DEB16F4556_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=CSC=C3,KJCWZBSWRCLXKY-UHFFFAOYSA-N
-2D8F4E3061E5088F_6EB4B111E880DA2C_6029_UN,N(C1=C(N=CC=C1)O)[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O,VNSMGWGDMQDIAQ-UHFFFAOYSA-N
-306B1781ED3010F8_32F81F7A33CF6D0E_6028_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,SRSJODRQDRNNEM-UHFFFAOYSA-N
-31706417505923BD_46DC488461D38961_6041_UN,CCOC(=O)C1=C(C(=N[NH]1)C)NC2=CC(=C(C(N(C)C)=O)C=C2)C,XTRPESVBXAVFDN-UHFFFAOYSA-N
-324A625844C9C3CA_B487BE8C39E143D6_6029_UN,CC1=CC(=CC=C1)C4(N[S](C2=C(C=CC(=C2)F)C3CC3)(=O)=O)CCCC4,XMELSTRJYPOPHJ-UHFFFAOYSA-N
-344E5C45BD400843_8E175356B776571A_6038_UN,CC[C@H](C)[C@H](NC(C(C)(C)N1CCOC1=O)=O)CN(C)C,AVBKQBQMCJFXAB-NWDGAFQWSA-N
-35B948EB55AE70BF_B9B84F69A3145EFB_6029_UN,OC1=CC=C(C=C1)CC2CCCN(C2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,BGPAIAUDRDOOOC-UHFFFAOYSA-N
-379C5235E226C146_12B60BC769D063B6_6003_UN,O(CC1CCC(F)CC1)C2=CC=C([S](C(C)C)(=O)=O)C=C2,SJZXZQMCMKIFDA-UHFFFAOYSA-N
-396C3349BFA1C383_0FC7DA760570CB71_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3)C4CC4,SVXBDQOAZRLFPT-UHFFFAOYSA-N
-3A2241D120E235F6_1824BD06556F18B8_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC3=C(OC)C=C(C=C3)C(=O)N(C)C,IADUSRJTHBKUJV-UHFFFAOYSA-N
-3AC1A22465C265E6_31C2967D66314244_6038_UN,CN4C[C@H](NC(=O)C1=CC=C(S1)C3=NC2=C(C=CC=C2)S3)CC4=O,NJDAEZBYIHWXGF-SNVBAGLBSA-N
-3AF8EBE4A041950D_760F2A811EF92D62_6029_UN,ON(C1CCCC1)[S](C2=CC(=C(C(C)C)C=C2)F)(=O)=O,DTJCRQBXBSDATO-UHFFFAOYSA-N
-3AF922ACF6414B5A_6A8F8BA00BA6F552_6038_UN,N(CCCCCC#C)C(C1=C(C)C2=C([NH]1)C=C(C=C2)C)=O,QBQPQYKJEWPHMA-UHFFFAOYSA-N
-3BE9D2364618C85F_D8F94B15E86CCC85_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=CN=C(C2CCCN2)N=C3)=O,NPBJHFOLYYRNRK-UHFFFAOYSA-N
-3C6434DBC75A745C_FBEEBEB8E8CC90B2_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)NCC4=C([S](N3CCN(C)CC3)(=O)=O)C=CC=C4,QZRQZHRNBVRILZ-UHFFFAOYSA-N
-3C6A8F0B830EE4FD_AA01095C7264F585_6038_DP,OC(=O)CCSC(C2=CC=C(C1=NN=C(C)[N]1C)C=C2)=O,KBVWWODETSFWND-UHFFFAOYSA-N
-3CB9B5D9D5CE2580_7B36BA7BA7701935_6038_UN,C[N]1C2=C(N=C1CCCNC(C(CCC(C)=O)(C)C)=O)C=C(C=C2)F,WKFRTGHJKXLIBT-UHFFFAOYSA-N
-3D7595383E23E670_32F3AB6F3F55430A_6029_UN,OC2=C1N(CCCC1=CC=C2)[S](C3=C(C(C)C)C=CC=C3C(C)C)(=O)=O,BRFUPKFXBDYXCH-UHFFFAOYSA-N
-3F76AC2110BB6596_E73E428CDBE1BFEA_6026_DP,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=C(C=C(C)C=C3)O,PAXFHRUIINCVLJ-UHFFFAOYSA-N
-3FF1E5703807F873_A92ACEC7950CFD43_6028_UN,N(C1(CCC1)CC2=CC=C(C=C2)Cl)[S](C3=CN=C(C)C=C3)(=O)=O,NZSJJMHRZPHNJU-UHFFFAOYSA-N
-401A77C502183B12_0F9C95C9AC8D53D6_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NC=C[N]3C4=C(C=CC(=C4)C)C)(=O)=O,IVRGGUIEFKPZCH-UHFFFAOYSA-N
-405528F9CCE1EAAD_A140FE6E842794D0_7019_UN,OCNC(=O)C=CC1=C(OC)C=CC(=C1)C2=CC=CC=C2,DRIQWQKKEOWCKL-UHFFFAOYSA-N
-4121AEC90A3E72E8_8F5F1F948AACE895_6031_UN,CNC(=NCC(=O)OCC1=C(C(OC)=O)SC=C1)NC,CGRGFSGYHLUGSM-UHFFFAOYSA-N
-43F20C410441B700_5F69B1F23C2FF036_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3ON=C(C(C)C)C3)=O,LZWFFJBZCXETAD-CFMCSPIPSA-N
-443E41F5E4223DBB_AF67C6D7D0EA3E22_6041_UN,COC1=C(N=CC(=C1)NC(C)=C(C#N)C(=O)O)C(=O)O,NZESIMYBDRQYLY-UHFFFAOYSA-N
-46748CDDB8CFFF9A_3066EF1079240816_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(OC)C=C(C=C2)C(=O)N(C)C)[N]3C,HEWNSSXOXLRAHD-UHFFFAOYSA-N
-46DA9DD8CAFBA753_8876163C523ECD55_6038_UN,CC(NC([C@@H](C)OCCN(C)C)=O)C1=NNC(=O)N1C,FGHYLFNBBPEGHL-YGPZHTELSA-N
-4752739F18676BED_789E6001DC6CF362_6003_UN,O(CCCN1C(=O)CNC1=O)C2=CC=C(C(CC)=O)C(=C2)C(F)(F)F,GRQCKTZFNFZNLQ-UHFFFAOYSA-N
-47D12FD43FC1B65B_5851F4C964F43C77_6029_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,OWHJPWRYWBIIIB-UHFFFAOYSA-N
-48092A3B49C1305C_75057F2F3EBEA1C5_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](CC)(=O)=O)C=C(C=C4)F,QAHSWTFPSJRKIZ-UHFFFAOYSA-N
-488F275A868EFAC2_2CFBA00F45E0CB97_6029_DP,N1CCC(CC1)C(CN[S](C2=C(C=C(F)C=C2)F)(=O)=O)C3=CC=CC=C3,GNZRARQLIJFDSL-UHFFFAOYSA-N
-4A2B54FF43693C23_FF256BE3B4C76D3A_6029_UN,CC1CN(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=NC(=CC=C4)C,DWTVVAKIAMRIFG-UHFFFAOYSA-N
-4AAA24ADAB88F422_056C1E585439CB01_6038_UN,CCC(NC(C1=CN=CC(=C1)C(N(C)C)=O)=O)C2=CC3=C(C=C2)OCCO3,VTZASLPXQYOJTL-UHFFFAOYSA-N
-4AB3071B5E1DCCA5_48F6A8AFF23A2A88_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(N=CC(=C2)F)Cl)(=O)=O,QESATDTYNAZOGE-UHFFFAOYSA-N
-4B20284FF1991D81_E43D3FD41AA2E443_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C=C(C=C3)OC4=CC=CC=C4)C(=O)O,KDZNPDJLRSLIAK-UHFFFAOYSA-N
-4BC130033340508A_D5C9DFF2FC045CD8_6029_UN,CC2CCN(CCCCN[S](C1=CC=C(C=CCBr)C=C1)(=O)=O)CC2,UYOLHLHOYBADKE-UHFFFAOYSA-N
-4E0C1B59240521E3_0B2AA25AC23BF0EA_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCC(CC4)C5=NC=NC=C5,DFRMRKLKIHKYMN-UHFFFAOYSA-N
-4E3C982920B22B9B_0FA1B66C956707BE_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC(C)C2(CCC2)C3=CC=CC=C3,MHPZKRLKRZBKCG-UHFFFAOYSA-N
-4EE0876F9E2BB66B_E88361D2424B1808_6031_UN,O(C(=O)C2=C1[NH]N=NC1=CC(=C2)Br)CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,KRIKIRNUBKPLHZ-UHFFFAOYSA-N
-4F93F04917DDA0BA_FE3EB00654FEF91A_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC(=C2)F)C(=O)C3=CN=C(C=C3)N4CCC4,CCMLFLLOCBQPPO-UHFFFAOYSA-N
-5045B913FD8921CD_997C6F7EE84E0339_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(C(C)F)C=C2)(=O)=O,DVBQBKZGKSDVHL-UHFFFAOYSA-N
-51547ADEB817AE91_2EA84D935C7E5F08_6041_UN,FC1=C(C2=C(C=C1)C(=NC=N2)NC(C)=C(C#N)C(=O)O)F,MKFBKQYXTXNSMS-UHFFFAOYSA-N
-51BDBE3920283AC3_49E076325D724CA4_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=CC3=C(C(O)CO3)C=C4)(=O)=O,SIQUXTJLZVYIEI-UHFFFAOYSA-N
-5464D8B5F96D0866_3AF86880C60591F6_6029_UN,CC3=CC=C(CN[S](C1=C(C=CC=C1)C2CCC2)(=O)=O)S3,IRSIGOXPMNEYNN-UHFFFAOYSA-N
-5677D7131AF1A43D_8C6D2ADA9F4129A4_6029_UN,N(CCC1=CCCC1)[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,ZWTBDFMDNLONTI-UHFFFAOYSA-N
-56C109878F73E332_5D7EF80DDED3267E_6038_UN,NC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC4=C(N=C3)C=CC=C4,WTWVABCUYHCUDM-UHFFFAOYSA-N
-5853E66B7DD60FE4_A6033DC1550504E5_6038_UN,CC1=CC(=C(C=C1)OC(C2=C[N](CC(N(C)C)=O)N=N2)=O)C(=O)NO,VRZMBOSSXZDSHW-UHFFFAOYSA-N
-58A43DDE8B497813_49E2C6292664AF8F_6029_UN,C2CC1=C(SC=C1)C(N2[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O)C5=CSC=N5,NAQTWCMBYUETHU-UHFFFAOYSA-N
-58E1BD86EF23F263_AA2D1CC923D0C413_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,RVFGDGDTHVHCSD-UHFFFAOYSA-N
-59173A77FC0E471B_E8EAA651C7C47B38_6026_UN,C[N]2N=C(C1CC1)C3=C2N=CC(=C3)[S](=O)(=O)N5CC=C(C4=CC=C(Cl)C=C4)CC5,CFZXHAFALYWVNU-UHFFFAOYSA-N
-5966F91968ACA369_F5C659D4D15F5E41_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NN=C(C=C3)N4CCCC4,LPQYPWQEIVYIGQ-UHFFFAOYSA-N
-5A369C7445C55547_51A5847FF075ACE4_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC(=C(C)C=C3)CO)(=O)=O,PHVHDMJHIRWFPO-UHFFFAOYSA-N
-5ADCAF85E5437558_DFE814103A310E20_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OC2)C=CC(=C3)F)[S](=O)O,RQMIZELROLXBSG-UHFFFAOYSA-N
-5AE4425D29C60134_F09ABBCCF7D31DFD_6031_UN,O(C(=O)C2=CC1=NNC(N1C=C2)=O)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,DVKORNRPAXMMAT-UHFFFAOYSA-N
-5B5D74AA94BCCFE8_8646322D2F037F7A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3(OC2=C[N](C)N=C2)CC3)=O,BZSDJQAGOADJJG-UHFFFAOYSA-N
-5BEDE961322C2A93_C47DCEEB66394498_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,CQAVQZZZOFVDCA-UHFFFAOYSA-N
-5C88BE96E81EE167_9E72FC7AC3721319_6038_UN,N(C2=CC1=NC=N[N]1C=C2)C(C[C@H](C)C3=CC4=C(C=C3)OCO4)=O,TZHKYNLUHJGRHK-NSHDSACASA-N
-5CB0A89E85FFEEC5_D6EF34B9A0A51BA1_6038_UN,CC(C)C[C@H](NC(C1=C(C(OC)=O)N=CC=N1)=O)CN(C)C,SDLHYKOCTXGGRQ-NSHDSACASA-N
-5CDB6CBFE7216E2C_BE344318A2CDF410_6041_UN,FC2=C1N=CC(=CC1=CC=C2)NCC4=CC=C([S](N3CCCCC3C)(=O)=O)C=C4,SXMPNEFAJLQOQK-UHFFFAOYSA-N
-5DB9E4F157C7F73C_B7855045F077BBF8_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)N([S](C3=CN=C(Cl)C=C3)(=O)=O)C4CC4,GMWFTTVNSMKOCJ-UHFFFAOYSA-N
-5DD1F5A9CBCFB810_4FC22092FCDCFF7C_6038_UN,CC(OC(=O)C1=CC=C(C=C1)N2NN=NC2=O)C3=C(C=CC=C3)N4CCN(C)CC4,XEEMMHAHGHNGSW-UHFFFAOYSA-N
-5E353C6BF1D337B6_56CA1205C715D2F3_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=CC(=C(OCCCN(C)C)C(=C2)F)F)[NH]3,LTBDWIMXYNQLJW-UHFFFAOYSA-N
-5FB791DAB752AF22_48E8436638510996_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,NEWDPCDDFHGMIS-UHFFFAOYSA-N
-616F57CCF04FA5C3_BF8FCB84E837F9EA_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)I,KEDHAVOSYYIGEO-UHFFFAOYSA-N
-618F85D06FED6DD7_CBDD2CB37D5B6EFD_6041_UN,CCOC(=O)C1=N[NH]C(=C1NCC2=CC(=C(C(OC)=O)C=C2)C)C,RCCQVAGFSJONCG-UHFFFAOYSA-N
-61EA25322B5B70B5_EF4C90B8BF11CB30_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCCC3)Cl,DNJJQPCQRYIRFO-UHFFFAOYSA-N
-624251DBF929E487_C9FF27C92F5423B7_6028_UN,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=CN=C(C)C=C3)(=O)=O,SRVOVLFIHPUEOE-UHFFFAOYSA-N
-6311AD89D0C87EC2_28E1A68F5BD16A12_6003_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)C3=C(C(=CC(=C3)OC)OC)C(=O)C,VAPWIDSRBIESJK-UHFFFAOYSA-N
-64C47FCAF02F07B5_4AF11538EC583AF1_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C4=CSC=N4,JHDXYJWMXFMXKE-UHFFFAOYSA-N
-6514A4167FDF884A_6F08C00891F31521_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C(Cl)C=C2)OC3CC3)(=O)=O,YJTCSCVGROTYEU-UHFFFAOYSA-N
-668F337D1E7EF6A8_244D8D03DA4F4C11_6041_UN,OC(=O)C1=C(C=CC(=N1)NC2C(CC)(CC)C(C2)OC)F,ZAALEGSKNREMPF-UHFFFAOYSA-N
-66E973ABBB8BD676_82CE08E845793141_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,SUAMFCJRPZXHDV-UHFFFAOYSA-N
-690F399F541D0A86_324DC78875FFED21_6029_UN,C[N]1C=CC=C1C2=N[N](C(=C2)C(=O)O)[S](C3=NC=C([N]3C)CO)(=O)=O,DRHKBFKKLBGCOK-UHFFFAOYSA-N
-69746EB9EEE825D3_FEAB1E0795677D3F_6026_UN,[S](=O)(=O)(C1=CC=NC=C1)NC(C)C2(CCC2)C3=CC=CC=C3,FGXWAGKRRQYQTJ-UHFFFAOYSA-N
-6A25C29948E8CAA1_73424F5BC69C6360_6029_UN,ClC1=CC(=C(C=C1)Cl)C2=N[N](C=C2)[S](C3=CN=C(C=C3)N4CCSCC4)(=O)=O,KINOFWYHFOVJJL-UHFFFAOYSA-N
-6C262E57AB310FE2_F85D11FDB20606A5_6039_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OCCC2=CC=NS2,YCPXXPRSUYEBKT-UHFFFAOYSA-N
-6C3470672C82421B_F70989734D4ACE6A_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,YAIIACJPYVQGLR-UHFFFAOYSA-N
-6E5687113E49D753_02AD42315B13AD1E_7019_UN,C(CN1C(=O)CNC1=O)=CC3=C(OC2=CC=C(SC)C=C2)C=CC(=C3)F,QYJOIZDHFLIASO-UHFFFAOYSA-N
-6E6EB4FE37F56D36_F7AFE906E4E48ED6_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=CN=C(N3CCN(C)CC3)S4)=O,HCZDNTRGYZDVFK-MRXNPFEDSA-N
-702F1AB56A01D38F_71575057E2EC3D1B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=C(C=C(C=C3)F)F,HDZGFJLUVAJVRQ-UHFFFAOYSA-N
-704A638D84D7452D_91F4F19E5CD9EEE3_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,BNFZKEYREHGYAL-UHFFFAOYSA-N
-7052BB2DB846FBA9_E020187A1310B39A_6038_UN,N(C2=C1C=NC=CC1=NC=C2)C(C(NO)CC3=CC=CC=C3)=O,SYDVCRLJDXVNJB-UHFFFAOYSA-N
-71FD98E9833B8CED_A0A7A966435BD461_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCCO,QGRKJXNTPXAQOZ-UHFFFAOYSA-N
-72E0FF16876453D2_901830FF7A681BF0_6038_UN,CC3(COC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CN(C3)C4=CC=C(C=C4)F,RYEPYRDPBALYHK-UHFFFAOYSA-N
-736448780803CD26_A50C18D0FB030E47_6038_DP,CC(OC(C1=CN(CC)C2=C(C1=O)C=C(C(=C2)N3CCNCC3)F)=O)C4=C[N](N=C4)C,GFPLHILBVYNPFX-UHFFFAOYSA-N
-73DA96E05E94F621_D31F9AECF77D8183_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(O)C=CC=C3O,ROALKQKZUJRXJU-UHFFFAOYSA-N
-7430E75104E9519B_A2C3923DA4CA8BF2_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C)C=C(C=C3)Br)(=O)=O,BLWWCBZCKNZQKI-UHFFFAOYSA-N
-7514263B2A499D0E_31D1BF1026C0FA25_6038_UN,COC(=O)[C@@H](NC(C1=CC(=C(C(OC)=O)O1)C)=O)CC2=C[NH]C=N2,RYTUOPQKEJLNMX-JTQLQIEISA-N
-765982E33207B7CB_4FC2ED649BA5135D_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C)C=NC(=C2)Br,SNQIYIUKVHNTPR-UHFFFAOYSA-N
-768437DD1F969EA6_EEB3A89D67F07132_7019_UN,FC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC3=C[N](CC(CC)O)N=N3,KRIAFXVCFZWUPO-UHFFFAOYSA-N
-77886FEFA856FA68_EC7D0CBC64C02B9E_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=C(OCC)C=C(C=C3)N4CCN(C)C(C)(C)C4,YEJDLRQGYFMVPU-UHFFFAOYSA-N
-7810B90B3B36E7D0_4345A248B8341A47_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)N([S](C3=CN=C(Cl)C=C3)(=O)=O)C4CC4,RCRUVOUSHDHINX-UHFFFAOYSA-N
-787647EC18C715CD_51F62D0D780ED8D1_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C([S](C)(=O)=O)C(=C4)F)F,FIRFHOIMIFZUKJ-UHFFFAOYSA-N
-7919BCB8BB0E0F69_2F153E2EA34A48CE_6038_UN,COC(=O)C(NC(C2=CC1=C(C(=CO1)C(OC)=O)[NH]2)=O)CC3=C([N](N=C3)C)C,RJQWGIBCILKAGV-UHFFFAOYSA-N
-7B29857FECC45920_6B229B332FB256C8_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C(OC)=O)C=CC(=N2)F)(=O)=O,PTTSWHFAIRTADW-UHFFFAOYSA-N
-7C2B8CC20FCB7FE3_A59573FD2ED8F189_6038_UN,C[C@@H](OC(C2(OC1=C[N](C)N=C1)CC2)=O)C3=C[N](N=C3)C,KKLAMXUOBLXDDJ-SNVBAGLBSA-N
-7CE502BDB4A2078F_B1BE2DAAE60351D4_6029_UN,N(CC1(CC1)C2CCC2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,OYNMQJQPVVTJBG-UHFFFAOYSA-N
-7FF99D02B1C93D3B_1CBF8E4A5486AD34_6029_UN,N([C@@H]1CC[C@H](CC1)C#C)[S](C3=CC=C(C(C2=CC=C(F)C=C2)Cl)C=C3)(=O)=O,IPKBDVDVZVUQLE-PRESFXJZSA-N
-802AA921817BADEC_8B375E0CA5943C3E_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)OC(F)F)(=O)=O,MFKKQTYELOKPLE-IRXDYDNUSA-N
-80A4AB2F281205F5_3024DB9A262A9B58_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,AQYVIUDPXUCNMI-UHFFFAOYSA-N
-8149196E644C1ECB_D2EB264B616DC9ED_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,CDNWHMYZDPWHGC-UHFFFAOYSA-N
-819F2FEE6438A45F_0E32E9778A044B01_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O,SKEMQYHNXSEMQE-UHFFFAOYSA-N
-81AF096FB8FC2CBC_6BB9566A17DBC792_6031_UN,CCN(CC)C1=NC(=C(C=N1)Cl)C(=O)OCC3C(C2=CC=C(OC)C=C2)N(C(C3)=O)C,PIJXIRLDMKXTGJ-UHFFFAOYSA-N
-81C157645D0EFA2E_CAC50AC3A125DAF2_6029_UN,N(CCC1=CN=CN=C1)[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O,YUFVCGPMEPOZSK-UHFFFAOYSA-N
-81C2CA920235F2F1_83D92772E12D8710_6029_UN,N(C1(CCC1)C2=NC=CC=C2)[S](C3=NC(=CC=C3)C4=NC=CC=N4)(=O)=O,QMSRFEHINKNSPO-UHFFFAOYSA-N
-8282E90039EBF1CB_1EB25DA170876BF9_6038_UN,CC(OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C3=NN=N[N]3C,WTVCALZMZVWAEL-UHFFFAOYSA-N
-832903E4F85CDE78_3DBBCB8F97B8D64A_6038_UN,CC3=CN1C(=NCC(C1)OC(CC2=C(C)C=C(C(=C2C)[S](=O)(=O)Cl)C)=O)C=C3,QCNFKWBIGCPUCS-UHFFFAOYSA-N
-8416CF652F4E24FE_E2706336FEDEF1ED_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,CEOIEYRCIJZEFA-UHFFFAOYSA-N
-85D30C31EBB40302_2E3E285B965F86CF_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC4=C(C(C)=O)C=C3OCOC3=C4,QPVBHXZUMQLECS-UHFFFAOYSA-N
-85F7C5F9CEE1EC9E_3132967F68CA8636_6041_DP,CC(C)[S](=O)(=O)C1=CC2=C(C=C1)N=CC=C2NC4=CC3=C(OCCNC3)C=C4,OSQZSMSRVBBZRQ-UHFFFAOYSA-N
-8650B42DBFEC4C6C_72ABADE250D64134_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,VFKVRYXMWQFGHF-UHFFFAOYSA-N
-86799C1C3DDBC111_70E724B220647867_6041_UN,OC(=O)CSC1=NC(=NO1)C2=CC(=CC=C2)NC3=C(C=CC(=C3)C(=O)O)C(=O)O,BDLZOOHLMQBFBO-UHFFFAOYSA-N
-86ABF98B2EF55AF0_4947EB8F71C850FA_6038_UN,NC(=O)C1=C(C=CC(=C1)N2CCCCC2)NC(=O)C3=CC(=O)N(N3)C4=CC=CC=C4,BXJZSNFKAUEZEV-UHFFFAOYSA-N
-87A03CC6CC854A17_65F8BBC8C6F119D9_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC[S](C4=CC=C(C(C)(C)C)C=C4)(=O)=O,AXGDOXHFTLAYBV-UHFFFAOYSA-N
-87D378783AC5003D_4F3063D4D61945AA_7019_UN,FC1=C(C=CC=C1)N2CCN(CC2)C(=O)C=CC3=C[N](CC(CC)O)N=N3,IMCHTNOAGPXQJB-UHFFFAOYSA-N
-888055BDDF4B360C_BD35CE87718AB0F8_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OC)C=CC(=C3)C(=O)N4CCOCC4,SJUFGACJVLSTBH-UHFFFAOYSA-N
-88C0E72BD41A2911_350DD88E14CA7FB4_6028_UN,N(C2(CC1=CC(=CC=C1)Br)CC2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,SWDGLVDTPXFMKS-UHFFFAOYSA-N
-88F7BC95ED0303B3_7D25A7DFE9918620_6026_UN,CC2=C1C(=CC=CC1=CN=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,YAKGYENZSYPKHZ-UHFFFAOYSA-N
-88FD850A14A5EDA7_A2B7BC2344844A38_6029_UN,C1CC(CN1[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C5=C4C=CC=CC4=NC=N5,SEGZCVSXQSUXFZ-UHFFFAOYSA-N
-890FAD229138DEC0_1AAFDC18781607EC_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(C)C=C(C=C2)Cl)CC3,NTICKQQEEZVFGQ-UHFFFAOYSA-N
-8A2A944BF1E4648E_CA07D26E89515838_6041_UN,COC(=O)C1=C(C(=CC=C1F)F)NCC3=C(N2CC(N(C)CC2)=O)N=CC=N3,HYPCTGBNZSLVTM-UHFFFAOYSA-N
-8A630E002C70616C_1525F0911900CCC8_6029_UN,N(CC1=CC2=C(C=C1)OCCC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,CVAYUUGVFPNZMJ-UHFFFAOYSA-N
-8AD26ED8E7856104_44AC0365DFF9FB8B_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=CC(=C3)CC(C)(C)O)(=O)=O,LAWVGYZLKGIMPH-UHFFFAOYSA-N
-8D2BA6A197D53EA0_6B5045E37606A223_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)CCCC4,PKXWJWWBAFARCL-UHFFFAOYSA-N
-8D4F6C4FDE5DA357_7FC59435A86A931A_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,IQTZOKBIMZIHHE-UHFFFAOYSA-N
-8D5B2B1CA1BF943D_745572414112AF61_6029_UN,CC1CN(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)C4=NC(=CC=C4)C,CVCWTGZVXATWPM-UHFFFAOYSA-N
-8DF50584F3DEF7C4_1C1AB6136EEE18C7_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O)C5=CSC=N5,GANQNBDCARQMMJ-UHFFFAOYSA-N
-8F12F212E5425908_3E1DE06184379734_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C)C3(CCCC3)C4=CC=CC=C4,PCCPHQUUKDUJQL-UHFFFAOYSA-N
-8F44DB3024E6BEEF_149C03130252A1E5_6038_DP,OC(=O)[C@@H](NC(C1=C(NC(C(C)(C)C)=O)N=CC=N1)=O)CC(=O)O,MKNIAUBMHNPDRG-ZETCQYMHSA-N
-90C9DD61AA788BB6_B8E79BEF138BB7BA_6039_UN,O(CCN1C(=O)CCC1=O)CC(NCC(NC2=C(C)C=CC=C2C)=O)=O,FLQAMCKKCJRWDE-UHFFFAOYSA-N
-90CE6906A8652FBF_E6F4EA72FF4BF67F_6041_UN,ONC(=O)C1=CC=C(S1)N[C@@H](CC(=O)O)C2=CC3=C(C=C2)OCO3,MAHFCQGJHOXRCM-VIFPVBQESA-N
-92BF7C3799E89754_DD1BA0B2231B3D38_6038_UN,CN(C)CCOC1=C(C=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)C,AFOVWKILLRTDFA-UHFFFAOYSA-N
-92E68E4EC896CE96_918E9EC87BECE084_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCCC3)F,OUGHRSOLJMFBPB-UHFFFAOYSA-N
-9384D2A37A6D7022_0BD0328269034DFD_6029_UN,N(C1(CC1)C(=O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,HOMGIGHNFHHUCE-UHFFFAOYSA-N
-952E68AE86A53B67_C84737DBBA8EC28F_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CC4C)C5=CC=NC=C5,QMDXOZDARLYCRY-UHFFFAOYSA-N
-95956D5A980D7423_78A2DA8D2A004E06_6038_UN,CN(C)C(=O)COC1=C(C=CC(=C1)C)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HSTGVIHKUFMDFU-UHFFFAOYSA-N
-96011F70C82FCDD8_C7D6370EC370BBEC_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O)C5=CSC=N5,PMCABIHQLBDHDQ-UHFFFAOYSA-N
-97507563C34990D3_230D966C02C55403_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(CC(F)F)C=C2)(=O)=O,XYDKEJFOBXOAMA-UHFFFAOYSA-N
-97660013D8EFEB65_26CA9C44AD7720A6_6031_UN,CC(C)OC1=CC=C(C=C1)[N]2N=NC(=C2C)C(=O)OCC3(OC)CNC3,GPXFHVLLJAESRJ-UHFFFAOYSA-N
-97DD0147FDEF1EF3_AD41AB0C52FD2C70_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,BBZRFLJNSKTFPF-UHFFFAOYSA-N
-986BD61EC1E4A615_8B0BCE7D2282E2ED_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Cl,QICWZQHLUZBZRW-UHFFFAOYSA-N
-9987E35638738ADE_4F4CD37CF57A878F_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=C(C=C2)Cl)Cl)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,ARIKOTOYEGOCQQ-UHFFFAOYSA-N
-9C1824F601A1D1CC_1C4F9FD6036AC74E_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C3=C(C=C2)CCC3)(=O)=O)C4=CC=NC=C4,ZDMZVPQNOBQHHG-UHFFFAOYSA-N
-9DFA4C283BDBE50E_48D5271BC0D9FBE1_6038_UN,COC(=O)C1=CN=C(CCNC(C(CCC(C)=O)(C)C)=O)S1,QTGBONZBWYOVES-UHFFFAOYSA-N
-9E06E0ECDAE39859_81E02B3C34C446BA_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)C4CC4,LQBONBOOQMDROX-HNNXBMFYSA-N
-9E71E71EDBA9AA85_F3A1381F5556686C_6028_UN,N(C1(CCC1)CC2=CC=C(C=C2)Cl)[S](C3=NC=C(C)C=C3)(=O)=O,DMWHGENHVUYRRZ-UHFFFAOYSA-N
-9EBE0090E0EA2E7B_6F90E03EAEA05B82_7005_UN,N3=C(C1=CC=C(C=C1)[S](=O)(=O)C2CCC2)[NH]C4=C5C(=CC=C34)N=CC=C5,ZDSPVVJKCUYIPJ-UHFFFAOYSA-N
-9F169AB7B6405A6E_0168ED54667C1CF3_6003_UN,CC1=C(C=CC(=C1)F)[N]4C=C(OC3=CC=C(C(N2CCN(C)CC2)=O)C(=C3)C)C(=N4)C(=O)O,WWWWNCDVXXLYAY-UHFFFAOYSA-N
-9FE1216FFE9EF73D_2944F87261058915_6029_UN,C1N(CC(=CC1)C2=CC=CO2)[S](C3=C(C(C)C)C=C(C=C3C(C)C)Cl)(=O)=O,AMEVRSHUHRFRFR-UHFFFAOYSA-N
-9FF9F8DABB2D5460_BA69E233C139C9FA_7019_UN,C(CN1C(=O)CNC1=O)=CC3=C2OC(OC2=C(CN(C)C)C=C3)(F)F,IJQSFTYALAGYKW-UHFFFAOYSA-N
-A14DAB8695FAF112_A11EE27D620E80DD_6029_UN,N(CCC1=CCCC1)[S](C2=CC=C(C(C)F)C=C2)(=O)=O,GQGIHFVULQPLJT-UHFFFAOYSA-N
-A15E058EA036FCB5_43FF2A121FDD9D70_6039_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OCC2=CC=NS2,ONYPZIVUBITBBE-UHFFFAOYSA-N
-A27517A555BD3737_6191549449769E96_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,STJULULXBJHMOG-UHFFFAOYSA-N
-A3F67CB8D5FC6DCB_016A5870F158E4C7_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,BJWVMUYBFNMBQD-UHFFFAOYSA-N
-A4C9053CCBFD28D6_FAC7BE070BA07A30_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C)C=C(C=C3)Cl)(=O)=O,RWQSYCFLQSRQAL-UHFFFAOYSA-N
-A5ED46E90866FB46_F60E8CE454A4E596_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NCC3(C2=CC=C(C(C)C)C=C2)CCCC3,WGJDNTVKOOVHDA-UHFFFAOYSA-N
-A615BF54819C6526_448DA46702061F47_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O,OUBJEVRSMYCWDX-UHFFFAOYSA-N
-A9DFC03DE2F29AAB_F1D356687F659110_6038_UN,NC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CN=C(C=C3)N4CCC4,LVIROKAODQXVMP-UHFFFAOYSA-N
-AB475EF1EF96EB38_36C8B99914F43DEF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=C(C(=C3)F)N4CCOCC4)F,KLGUCSHZNJEWRI-UHFFFAOYSA-N
-AC69054EE1E86621_2BB9397C8B4963C3_6041_UN,OC(=O)CSC1=NN=C(O1)C2=C(C=CC=C2)NC3=C(C=CC(=C3)C(=O)O)C(=O)O,BKVQQWDQOPEQSZ-UHFFFAOYSA-N
-AC76ECA26B33465A_793F1392C41288BE_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C3=C2N=N[NH]C2=CC(=C3)F,HNNWGBXJSLSQKH-UHFFFAOYSA-N
-ACDDC47A3A7BBF3B_8636F2E1A0C9570D_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O)C5=CSC=N5,WSGFOGVJTSLWAK-UHFFFAOYSA-N
-ADF1C7EE5643E076_536EB3B56024206D_7022_UN,CC1=C(C=C(N=C1)F)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,PXPLFEVSISUWPG-UHFFFAOYSA-N
-AE4858AB4D9B3140_30BC31171EC980DA_6038_DP,OC(=O)C1=CC(=CN=C1)NC([C@]2(CC[C@@H](C(N(C)C)=O)C2(C)C)C)=O,YQYDRUPQMBTHPM-SCLBCKFNSA-N
-B0217EE0C48767A8_DA8A381A6048C4AF_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,UOEVETYVCPNLGY-UHFFFAOYSA-N
-B078EF83579BBC90_6C858EBA8477A4B4_6041_UN,CCOC(=O)C1=C(C(=N[NH]1)C)NC2=C(C=CC(=C2)CN(C)C)C,XSCCYTXDRMRGLD-UHFFFAOYSA-N
-B08796753C44442D_39FE8647D3598843_6029_UN,CC1CN(CCN1[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=NC=C(C=C4)F,IBIWSLMWCIPOLR-UHFFFAOYSA-N
-B0A86CD14ECE5A4E_9B747A89633DA8BD_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(CC)C=C3)(=O)=O,CFEYFVZSBHUGTQ-UHFFFAOYSA-N
-B167FF22E99F3225_CCB561BA978CFE53_6034_UN,ClC1=CN(C2=C1C(=NC=N2)N3CCNCC3)CC(C4=CC=C([S](C)(=O)=O)C=C4)N,UGQBJIXXYDTOMX-UHFFFAOYSA-N
-B2C4158B06727622_EC55A0FBD80324F8_6038_UN,CCOC(=O)C2=NOC(COC(C1=C(CC(OC)=O)SC=C1)=O)C2,ZBOHUWGIJSLMOI-UHFFFAOYSA-N
-B41ACABF3DBBF2B5_809518867F09AD23_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(CC)(F)F)C=C3)(=O)=O,YVQSFNFJJZJNIT-UHFFFAOYSA-N
-B47705CB529FC50E_9F45DA822C900311_6029_UN,N(C(C1CCC1)C2CCC2)[S](C3=CC=C(CC)C=C3)(=O)=O,JLCSNXAATRRZHZ-UHFFFAOYSA-N
-B5A1364CDCB6C1D1_61672742F0DE6BD6_6038_DP,N2C[C@H](OC(C1=CC=CC(=N1)C(N(CC(C)C)C)=O)=O)CO2,BQXUGXVZXUJPIX-NSHDSACASA-N
-B61C93C0961BE316_54475C7C24FC9EEC_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(CCCOC3=CC=CC(=C3)C(C)=O)=O,UQEWPFKOCFLZCZ-UHFFFAOYSA-N
-B6373820473AF561_BCAD0893F94A4820_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CC4)C5=NC=CC=C5,BWLUJMRDPRSMPW-UHFFFAOYSA-N
-B84A721206E72DAC_7A6D220BFC4A4067_6041_UN,OC(=O)CN1C(=O)COC2=C1C=C(C=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,NPGSIJORYBHESH-UHFFFAOYSA-N
-BA17571421B8E520_6ED2FB4DF7E9AA78_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(CC)C3=CC=NC=C3,ZUWHNYIBVJIACY-UHFFFAOYSA-N
-BA848882DA3B834C_50BFE4795743DE30_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(OC)C=C2CCl)(=O)=O,BJMXIULPSQNHHB-UHFFFAOYSA-N
-BB6CB35D2A526D2E_E28E888EAD4939A8_6026_UN,CC1=C(C=NC=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,DGIQJYFNJDKEKO-UHFFFAOYSA-N
-BDDA2237004A3F91_BEFD33BDC505A3E3_6038_UN,CC(=O)C1=C(C=C(C=C1)N2CCCC2)OC(C3=CC(=CC(=C3)[N]4N=NN=C4C)F)=O,CRXMAYPPXLJHKH-UHFFFAOYSA-N
-BE16722DAE0DD907_CC32D43F264C53B4_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,YGGVUZCOHFWYMS-UHFFFAOYSA-N
-C098DEA7A3180188_41B2359B16F8987D_6034_UN,O=C(C1=CC=CS1)C2=NN=CN2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,HQKASMZXPYDNGN-UHFFFAOYSA-N
-C09E7FA6541B48CF_BC9FE368DC32E64C_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC(=C(C)C=C3)C(F)F)(=O)=O)C=CC=C4,SSWSTALHJWFJMW-UHFFFAOYSA-N
-C24A0E78A39DDFA0_3E94CDD3F185DC1E_6041_UN,CCOC(=O)C1=C(C=N[NH]1)NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,BAWUZIGGDLUNQM-UHFFFAOYSA-N
-C2ADB2436251A2B9_EBF2C11610A5F43E_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=CC(=C(C=C3)Cl)F,DAPICDACYZAGTA-UHFFFAOYSA-N
-C2E5BE71D5975DE5_3EF765F17B699C10_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NC3=C(OCC)C=CC(=C3)C(=O)N4CCCCC4,JYNSOAZOUDLKDA-UHFFFAOYSA-N
-C3FEDDF6E1695E86_91204E1596CC38B1_6006_UN,OC(=O)C4=CC1=C(N=CN=C1C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C)NCC4,SGLJBNZPORYCCJ-UHFFFAOYSA-N
-C4FB06DABF1233FE_D27B43B6DAF6EBAC_6029_DP,N(CCC1=CC=C(C=C1)C2CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,RQPGNALVMRECTC-UHFFFAOYSA-N
-C5A76015BA90AF7B_65F23931D796A6F7_7013_UN,N1=C(CCCC(N(C)C)=O)[N](C2=C1C(=CC=C2)F)C3CC3,CFGIHBINXAJDBW-UHFFFAOYSA-N
-C5ACB395F5F87788_B66348606C455EEE_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC([C@@H](C(C)C)N(C)C)=O,POOVBEGSZFOQOI-ZPURKBSKSA-N
-C78E839BDD8F49C0_26A351191746AE51_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CC(CCC4)C5=NC=NC=C5,GAKBEZVALHATGM-UHFFFAOYSA-N
-C8488B23C38A52DA_5431714BF60EAF39_6029_UN,N(C1CC(C1)(O)C2(CCC2)O)[S](C4=CC=C(C3=C(F)C=CC=C3)C=C4)(=O)=O,KANWLIVYECGHSG-UHFFFAOYSA-N
-C8927B32B1C9A02F_8F12885A1CB9E651_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O,FXVZVUIXHVXCFP-UHFFFAOYSA-N
-C8A1FEEF4FE27F25_A1C5C9BC9F5527E0_6038_UN,COC1=CC3=C(C(=C1)OC)C(NC(C2(C(N(C(C)C)C)=O)CC2)=O)CCO3,DWAINKLJJUCIBL-UHFFFAOYSA-N
-C924DAD970DE9D83_21A244D0AA20370E_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2C3=C(OCCC2)C(=CC=C3)F,FPHBAELKDOIUAO-UHFFFAOYSA-N
-C94086948902E353_8BDAE7F4C81AD898_6029_UN,OC1=C(C=C(C=C1)Cl)C2=C[N](N=N2)[S](C3=CC=N[N]3C4CC4)(=O)=O,JUVCUSAUECCYDF-UHFFFAOYSA-N
-CA9F35ECABE052F8_ABAD03DB1AAF9066_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=C(C)C=CC=C2)CCCCC3)Br,JHUMTOVJQUTMTM-UHFFFAOYSA-N
-CBDFDCA79E26D6FA_B35E32D298050C5D_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(C(N(C)C)=O)C=C3)C,PMWNJQLFRJDPDN-UHFFFAOYSA-N
-CC36D4C76A101AEC_1A374E58D06FECB7_6029_UN,CC1CN(CCN1[S](C2=C(F)C3=C(C=C2)CCC3)(=O)=O)C4=NC(=CC=C4)C,KQRMBKRURCOVHK-UHFFFAOYSA-N
-CC6D8CA47C2EFCAA_9F8A16161A1313EE_6038_UN,COC1=C(C=C(C(=C1)NC(=O)C3=C2C=C[N](C2=NC=N3)C4CC4)C(=O)N(C)C)OC,IHNZWLVRZAIQIO-UHFFFAOYSA-N
-CC8983889D562B5B_3A46994DFCEFC1EF_6026_UN,CC1=CSC(=N1)C2=CC=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,NOERCZZBQSOIDE-UHFFFAOYSA-N
-CEB46EC83BF9C1B2_4D3FE3F702ABE225_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCC)C=C2)OCC,PAMNIXKXDRKZGG-UHFFFAOYSA-N
-CF5576F6C575BBB2_7F177B42D143AE7C_6041_UN,CN(C)C1=NC2=C(C(=N1)NCCOC(N(C)C)=O)C=CC=C2,KWERVTZFRHBKFX-UHFFFAOYSA-N
-D2B82943C238B975_F218C0D79891E753_6036_UN,CC(CCCCl)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,JYGONASJFOBIJN-UHFFFAOYSA-N
-D4046A0E7EEE3281_7990B91FE92A0D64_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OCCC2)C=C(C=C3)F)[S](=O)O,MNRPHPWWGOYCQV-UHFFFAOYSA-N
-D4EA0716E8A54420_695FDE489D4811B3_6041_UN,OC(=O)C1=C(C2=C(C=C1)N=CC=C2)NCC(O)(CO)CO,BRYPZBZFEBYVQY-UHFFFAOYSA-N
-D518B31147E88CE4_E8635765E57643DC_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(C)CC3=CC=C(C=C3)F,PLNSKNKRDWXYQN-UHFFFAOYSA-N
-D6DE785FEF09CE4E_A8C209BC916B376C_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(F)C=CN=C2F)(=O)=O,BXJGXYHJWMSDBL-UHFFFAOYSA-N
-D6FE95141ED5FDED_5BCE292B03CC02BD_6031_UN,COC1=C(C=C(C(=C1)[N]2C=NN=N2)Cl)C(=O)OCC4C(C3=CC=C(OC)C=C3)N(C(CC4)=O)C,DKRVEJZMRHCHMP-UHFFFAOYSA-N
-D94B2C1F29FF5099_8562D509DB938D60_6003_UN,CC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(C2CC2)C3CC3,OIBXPNDTJYMGJY-UHFFFAOYSA-N
-D99B9926B035FA2C_9C9D74C45FF407BD_6039_UN,O(CC1CCC(F)CC1)CC2=CC=C([S](C(C)C)(=O)=O)C=C2,NOXKESRYXYNMRC-UHFFFAOYSA-N
-DAF0E70402EE4569_8B078AA7FA440940_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=CN=CC=C4,WDNKWKBLYCKBBP-UHFFFAOYSA-N
-DCED36D435DE3FE2_07D8AB00FAA15DB7_6029_UN,ON(CC1=NC=CC=C1)[S](C2=CN=C(C=C2)C3(CCC3)C#N)(=O)=O,BADTWAPQSOQLIX-UHFFFAOYSA-N
-DD2250BF31BA302F_D55CDFED38BCC3C2_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(OC)C=C(C=C2)CN(C)C)[N]3C,ZMAWAWSYUJWPAX-UHFFFAOYSA-N
-DDF9F868955C1F62_F61FA11F39933A1E_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,JFQUOVHGPFFKLW-UHFFFAOYSA-N
-DF7C80CF9A16BBEA_25C7F9CBC511E29C_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,CNXFPJJQNVCOGL-CRAIPNDOSA-N
-DFA8CA3294E61E9C_3DB04EB0FA7D6CC2_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C4=CC=C([C@@H]3C[C@H](O)C3)C=C4)(=O)=O,QQOXLQBZGQWZOP-RLAPIPATSA-N
-DFAF80A7A367C740_A699FB9040937997_6003_UN,O(CC1(CCl)CN(C1)C2CC2)C3=CC=C([S](C(C)C)(=O)=O)C=C3,ZNGVQMZDSVWLMJ-UHFFFAOYSA-N
-DFB4F7CE392D6176_2C0F699B38BFF546_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(N(C)C)C(=C3)F)F,CRSMTNGNHOIBII-UHFFFAOYSA-N
-DFEF2166C1989418_5E934AF37167DE4C_6029_UN,N(CC1(CCC1)C2CC2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,RKTKHDBCSLFSST-UHFFFAOYSA-N
-E04E331678140A93_4B222AD8698195CB_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NCC3(C2=CC(=C(C)C=C2)C)CCC3,BEYRZRYEWVRCSS-UHFFFAOYSA-N
-E0AA9E3CC71E9E43_3539440885138D7C_6038_UN,CC[C@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C(=O)N,BYXXTNHEPFDMHC-ZETCQYMHSA-N
-E200F9CDC7B4245A_1579034875D9771A_6041_UN,COC1=CC2=C(C=C1)C(=C(C=N2)[N](=O)=O)NCC3=CC=C(C=C3)C4=NN=CN=N4,VETYVDZGOQLOSZ-UHFFFAOYSA-N
-E3B62929E5FE5132_1007F24E75993978_6029_UN,OC(=O)C1=C(C=CC=C1)C2=C[N](N=C2)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O,MJJOOLLQOAWMRH-UHFFFAOYSA-N
-E3E2FD793A090186_6598DF9AAEBEA86B_6041_UN,CC(=O)C2=C(C=C1OCCCOC1=C2)NC4=CC3=C(N=C(C(C)C)S3)C=C4,IHAUAHZMYHYXTH-UHFFFAOYSA-N
-E4BE9EB574417887_B82560C0C6D67FF6_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OC2)C=CC(=C3)F)C4CC4,LRYJDOKDDJGQKU-UHFFFAOYSA-N
-E4C626265F8939E5_FC5A7176FB165120_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=N[N]2CC(C)NCC2=C3)=O,WPFQBJJZAGPZBB-UHFFFAOYSA-N
-E608ACFF986A83FC_AC149B25EC4DF564_7019_UN,CCOC(=O)N1CCN(CC1)C(=O)C=CC2=C[N](C)N=C2C3=C(C=CC(=C3)F)F,GWOVAABHLSUPMF-UHFFFAOYSA-N
-E62188EF97A8AD71_18A6DB2E8901F7BB_6038_UN,CCOC(=O)C1=C(NC(CC(N(C)C)=O)=O)C=C[N]1C,UBCVYIPBQSJDSU-UHFFFAOYSA-N
-E68E9CE08FF10564_A13F0CFD084A86D0_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)[CH]=[C]3C[CH2]C3,ZVFQUHFEGNEEEM-UHFFFAOYSA-N
-E6DEF67AC08CDB36_75D609EE0B3EF0AC_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,IDQGOWISJIUZQG-MRXNPFEDSA-N
-E73F645A81A80840_3CC1C10A6AE3D289_6038_UN,CC(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC3=C(C=C2)OCO3,SQJVSLNGIUMDAZ-UHFFFAOYSA-N
-E75222C09F26649F_81B2CB7FAFE10EE7_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=CC=NC(=C2C)Br,NEPJTJVTGQZFCL-UHFFFAOYSA-N
-E865C9377D34B625_FC6FE254809C771D_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC(=C3)CO)(=O)=O,LBLFVRIWMIOQKV-UHFFFAOYSA-N
-E8D94602BD2B8B8B_E1693861A99DB810_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=CC(=C4)O[Si](C(C)(C)C)(C)C,OZDQDTNBAUPPOE-UHFFFAOYSA-N
-E8DB9E4A4BD07421_014B25205EF42A5B_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CC4)C5=NC=CN=C5,PTIISMYIZHGMJO-UHFFFAOYSA-N
-E8EF32474988591C_26A0D2C35BF7AA7A_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(Cl)N=CC=C2)(=O)=O,MGCJKKFDFUECBW-UHFFFAOYSA-N
-E91BF36FA17440B4_4DACE06FF0047BA6_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C)C=C(C=N2)Br,YDEHBWLAZJLSGF-UHFFFAOYSA-N
-EA2B4115C5B53320_B6751655AADD1945_6038_UN,N(CC1=CC(=NC=C1)F)C(C3=CN=C(N2CCC(C)CC2)C=C3)=O,IWOZEKXMXQVISL-UHFFFAOYSA-N
-EB6E497D42A4900A_3EC54EE428D85542_6041_UN,C1(=C(N=CN=C1)OC2=CC3=C(C=C2)OCO3)NCC4([S](N(C)C)(=O)=O)CC4,UOCQPDUMEMAKHO-UHFFFAOYSA-N
-EC2B09EE8CF99537_42E844B22BEB7739_6038_DP,CC(NC(=O)C1=CC(=CN=C1)C2=CC3=C(C=C2)OCC3)C4CNC4,ZXEQZTLIUVDIKQ-UHFFFAOYSA-N
-ED581607F4B807EF_62208992B39641C8_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCC3(C2=C(C=C(C)C=C2)C)CC3,DQGOBXPYFLLDOA-UHFFFAOYSA-N
-EE35CBEF5FA6F200_25C098C05131E587_6038_DP,N2C[C@H](NC(C1=CC=CC(=N1)C(N(CC(C)C)C)=O)=O)CO2,IRQMYGADQBRCAI-NSHDSACASA-N
-EE4862B7B26DDF18_3AB9AFCB4BF7CC40_6031_UN,O(C(=O)C2=C1N=N[NH]C1=CC(=C2)F)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,SCGCIGVHNUBDDO-UHFFFAOYSA-N
-EE64CB1A9DF240A9_B7FD893B110B15F5_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(OCC)C=CC(=C2)C(=O)N(C)C)[NH]3,QIHHAHLLRKDQAL-UHFFFAOYSA-N
-EE6CE14D16CEA2C6_524245E4EE46C93F_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=CN=C(OC)N=C3)=O,HODHKQDQNYCKNL-UHFFFAOYSA-N
-EEADCE95FAE2EFAB_72EABB7C3FA49CA5_6041_UN,CC1=CC4=C(C(=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)OCCC4=O,FWLRNRLWXKRQRF-UHFFFAOYSA-N
-F03D134FEC1853CC_48E6234CDC8E7226_6029_UN,C1CC(CN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C5=C4C=CC=CC4=NC=N5,UTCZDJTYSLUNQI-UHFFFAOYSA-N
-F24A7185554EF1A8_6A4C090B0DFCF38A_6028_UN,C1CC(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=CSC=N5,UKKUULUVEISLDA-UHFFFAOYSA-N
-F467DFF191EDEF42_D5D1F8E4D0826473_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC(=C(OCCCN(C)C)C(=C3)F)F,KNDXZXHIBKITGZ-UHFFFAOYSA-N
-F783250EC3AA9FCC_4A910ADF6D2ABD54_6041_UN,COC1=C(C=C(C=C1)C(=O)CSC2=NC(=N[NH]2)C)NC3=CC(=NC4=C3C=CC=C4)C,UAPQEISYIWBIEZ-UHFFFAOYSA-N
-F7DB8E0E60B2118B_0CA55D44DEA9DDC5_6026_UN,ClC2=CC(=C1OCCC1=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,WVNNKUKUUYGMIJ-UHFFFAOYSA-N
-F7F44095E581B789_65E04F96CADF4641_6029_UN,C1CC(CCN1[S](C4=C2C=CC=C3CCC(=C23)C=C4)(=O)=O)C5=NC=CS5,YJHNSKSVLSLLRO-UHFFFAOYSA-N
-F8601808B3BFC597_0BBEE43A3EEDCCE6_6041_UN,OC(=O)C2=C1C=C(C=CC1=NC(=C2)C3CC3)NCC4=CC=C([Si](C)(C)C)C=C4,BAQWCVZHVKNPHO-UHFFFAOYSA-N
-F8C79E1039F21355_46B6FBFAC84B69A5_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=CC(=C(C=C3)Br)F,JUFVFZOVRSYWAU-UHFFFAOYSA-N
-F9312DF338C4C465_1968C9053C865FA2_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,CXTYFJIXNFXLMT-UHFFFAOYSA-N
-F990169BED3892E3_46568C1FF5863608_6038_UN,CN(C)CCOC1=C(C=CC(=C1)C)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,QCTPTNLVMAPAOT-UHFFFAOYSA-N
-F9F07B32453A06A7_7D41769B09A3EB22_6029_UN,OC(=O)C2=C1[N](C3=C(C1=CC=C2)CCC3)[S](C4=C(C=CC(=C4)C)[N]5C=NN=N5)(=O)=O,HNVLMOZSCPFWPE-UHFFFAOYSA-N
-F9F651CF6A49521F_8F5720DE038382A5_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C)C3(CCC3)C4=CC=CC=C4,OZPBDPVLVRNJSE-UHFFFAOYSA-N
-FC91800255B58E5D_A9CD9359D83CF7B5_6029_DP,N1C4=C(C2(C1)CCN(CC2)[S](C3=CC(=C(C)C=C3)C(F)F)(=O)=O)C=CC=C4,RSIRCMNLLLIGMX-UHFFFAOYSA-N
-FDC7801DCAA5D9B7_C153F528995DA0D5_6029_DP,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,SOBLKFVLLVEFQZ-UHFFFAOYSA-N
-FDDBAEECBBA0F442_66880E8F9620CB99_6039_UN,O(C1(CCCC1)C#C)CC2=CC=C([S](C(C)C)(=O)=O)C=C2,JNYYMBNVSSYAGG-UHFFFAOYSA-N
-FE491D7EBC3662EE_507B97B45BB4EC36_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(C)CCC3=CC=NC=C3,BFIXEVFIHIWVBI-UHFFFAOYSA-N
-FFCB61F0D6F043AB_568D89CCE94196C6_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,ADLLSIVYZZACJN-UHFFFAOYSA-N
-rxn:2:89524:148296,CC1CCN(C(CNC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c2ccc3c(c2)OCO3)C1,GQNUMESYVUXOMF-UHFFFAOYSA-N
-01352013B45A738C_E4CF1009AF3D0FE7_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(C=C2)C3(CCCC3)C#N)(=O)=O)C4=NC=CC=C4,DVAJJVCSZWGIGU-UHFFFAOYSA-N
-029156819CBBCF0E_809988B70A986DD1_6028_UN,N(CCC1=CN=CN=C1)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,UOCGQFGKESKMTR-UHFFFAOYSA-N
-04232138981101A1_5FFB0DB5A320ED02_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Br)C=C2)(=O)=O)C3=NN=CC=C3,DAIYHLUCZQRTDO-UHFFFAOYSA-N
-0709C4C144C156A9_4DE371FCA9A57AF7_6029_UN,FC1(CN(CCC1)[S](C3=CC2=C(OCC[C@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,ZLCYZOVJIBCZHS-QSVWIEALSA-N
-07834A5C47E4D1F2_0D363F5ABDD113ED_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=C(C=CC=C4)[S](=O)(=O)N5CCCCC5,TXZHGAQUMNUTBE-UHFFFAOYSA-N
-08D63E486FC5785B_9A4919895E04F388_6029_DP,N(CC1(CC1)C2=C(C=CC=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,LEYSTZBZOBKKEZ-UHFFFAOYSA-N
-09C313EE73BA6DD1_0FDBEC88FCC80BAC_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NCC3=C(N2CCN(C)CC2)N=CC=C3,HANSTOMDIVRDHU-UHFFFAOYSA-N
-0A0D53D659CB028D_062CCAD10C5E7404_6041_UN,C2(=N[N]1C=CC=CC1=N2)N[C@@H]4C[C@@H](C3=C(C(OC)=O)C=CC=C3)C4,HSTUEFRWRBYWNZ-JOCQHMNTSA-N
-0AA7E04E40CD00E8_D3D3E1D369228E08_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]3C4=C(OCC3)C(=CC(=C4)F)F,QSYWZDROTAOHJU-HNNXBMFYSA-N
-0B01E4F3DEA1C3B3_0C5EDAA0CCA2165B_6041_UN,C1(=C([NH]N=C1)C2CC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,SWEYSHNRXZXNMY-UHFFFAOYSA-N
-0B01E4F3DEA1C3B3_6841988AF3AB99AF_6041_UN,C1(=C([NH]N=C1)C2CC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,SWEYSHNRXZXNMY-UHFFFAOYSA-N
-0CE52EE72A2A6269_9061FDE54675F73B_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCCC3=CN=C(N(C)C)C=C3)F,PMXPEPOAFVHKQE-UHFFFAOYSA-N
-0D0FE8DED4315CF2_21F32B1570BDBFC8_6029_UN,FC1(CCN(CC1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=CC=CC=C4,KGVDIMNPENTQAW-UHFFFAOYSA-N
-0E85D58FF8F3534D_5D15FAE360560EFD_6041_UN,C1(=NC(=CC=N1)OC2CCOCC2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,UZRIQYWXFXSAMK-UHFFFAOYSA-N
-0EDEF862EA5EC27D_C896AC939A1863E9_6029_UN,C1=CC(=N[N]1[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=NC=CC=C4,JYTLSNSOLKAPMO-UHFFFAOYSA-N
-0FC926D901CE6684_8915B5911E5F5DF6_7019_UN,C(C1=C(C=CC=C1)[S](=O)(=O)Cl)=CC2=C(C=C(F)C=C2)C3CC3,KDLPPZIPLOCAIX-UHFFFAOYSA-N
-1044DC2740A794EB_753672F023D97BA1_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC4=CC3=N[N](C(=C3C=C4)C)C,PWQMLNKOHPNTAV-UHFFFAOYSA-N
-1157462FCE7F87CD_D57AAB8D45F10F77_6038_UN,COC(=O)C(NC(C1=CC(=C(C(OC)=O)O1)C)=O)CC2=C[NH]N=C2,NNSQZZMTQCXMLM-UHFFFAOYSA-N
-1220977A041EF2F8_15008E2AFA62AFC3_6041_UN,C1(=N[NH]C=N1)NC2=C(C(OC)=O)C=C(C=C2)OC(C)C,XWDCLOASJIQWFF-UHFFFAOYSA-N
-1220977A041EF2F8_EE0AE0E7A9745A72_6041_UN,C1(=N[NH]C=N1)NC2=C(C(OC)=O)C=C(C=C2)OC(C)C,XWDCLOASJIQWFF-UHFFFAOYSA-N
-1382459CD2DBB33C_F71F95BEF514B24C_6035_UN,CCC(OC1=C(C(OC)=O)C=CN=C1)C[N]2N=NC(=C2)CN,PVSQNJKUUBJUIA-UHFFFAOYSA-N
-13FD6838E6E1F599_6FBBB6D95015C495_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3C(C)COC4=C3C=CC=C4,HUTBRZOGHVYZDU-UHFFFAOYSA-N
-14013B82A5F49835_D28630B2297ED66D_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=NC=CN=C3,HIKHPIFQTFZSFH-UHFFFAOYSA-N
-1420FFB943E288D8_0B3D6B2F56D39CE8_6041_UN,CN1CCN(CC1)C2=NC(=CC=N2)NCC3OC4=C(C(C3)=O)C=CC=C4,LAENAZKOVHAQEI-UHFFFAOYSA-N
-14ECB015EDB09070_6E7D47C9D8B969D8_6038_UN,COC1=CC(=CC(=C1)OC(=O)C2=CC=CN3C2=NCC3)OC,CPBXFRFFIAQDKD-UHFFFAOYSA-N
-151130862C0BFB00_9949EEA771DE2530_6029_UN,CN2CCN(C1=C(C=CC=C1)C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,YWIXMIZHZSYDME-UHFFFAOYSA-N
-15398DE3B0DF3AF6_6356DA52FB09E804_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,XQHIFRSJUHWQTK-UHFFFAOYSA-N
-15B980805FACDAB5_42C8D85E5256A4C7_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=C(C[S](C)(=O)=O)C=CC=C4,LURBDHNEEDLBJM-UHFFFAOYSA-N
-161FFF4524403027_913F36170FE4F802_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C5=C(OC4(C3)CCC4)C=CC=C5,FOJQHLJDDWYHHO-UHFFFAOYSA-N
-16331F60255BB939_AEA21A8B8C629CEB_2201_UN,CC1=CC4=C(C(=C1)C)OCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,JMIJCZRNCHTCMJ-UHFFFAOYSA-N
-180B8F31541175EC_64C732D29F5C20BA_6034_UN,COC2=C1C=CC(N(C1=CC=C2)C[C@H](C3=N[NH]C(=N3)C)N)=O,RALHRFDAYIELIA-LLVKDONJSA-N
-190523B4DA3DC89C_74E429AB1D5DB791_6028_UN,N(CCC1CCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,GMWCAYKKWVQMBA-UHFFFAOYSA-N
-1930B23492219B65_0D7B10710D5E8E33_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,VVUGOWVYSXIEPJ-UHFFFAOYSA-N
-1AA06B16DA2CF499_F74B7D4A230AC314_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)NC2=CN=C(N(C)C)N=C2)C=CC=C3,ZDLGHCAMVIRTBU-UHFFFAOYSA-N
-1DF9EAA32185EB2F_7AAE3A20AB436FB3_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C[N](C)N=C2C3=NC=CN=C3)N4CCOC4=O,RFPJVGHZWWSEMX-UHFFFAOYSA-N
-1ECA55CD28847795_65D729AA19A341DA_6041_UN,C2(=C1[NH]C3=C(C1=CC=N2)CCC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,KNLOMDQXFHVNJK-UHFFFAOYSA-N
-1F221DCE58825C2F_583DA5C6F3A5F5C9_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C[S](C)(=O)=O)C=CC=C3,PEKXDIMGRDCYCG-UHFFFAOYSA-N
-1F2EE4C171E3FDD5_B811EB00489650BF_6036_UN,CC3=CN1C(=NCC(C1)N(C2=CC(=C(C=C2)Br)C)[S](=O)(=O)C)C=C3,CATLBJNSCSGSKS-UHFFFAOYSA-N
-1F63FB692FFA9EAF_D510572D7C8EF4A1_6029_UN,OC1(CCN(CCC1)[S](C3=CC2=C(C(O)CC2)C=C3)(=O)=O)C4=CC=CC=C4,YGFANOOIQLGFQZ-UHFFFAOYSA-N
-200A7C1F7B9E712A_331C2942978EC26B_6031_UN,O(C(=O)CCCC1=NN=N[NH]1)CC2=C(N(C)C)C=CC=C2,FCNNGJAMILIGNX-UHFFFAOYSA-N
-20C90FA3EE66175D_D3D83BD3ACEE0FDA_6041_UN,C1(=NC(=NC=C1)C2CCC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,XQLHSAVIQFDGTI-UHFFFAOYSA-N
-25694BF6B75EDE73_019661A8EC852739_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC3=C(C)C=C(C=C3)C4CC4,MZWPNSBXZRDQLB-UHFFFAOYSA-N
-25F934B40DED94A8_DA75D8A627490AF2_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=C([S](C)(=O)=O)C=CC=C4,BZGDMPJUUCLYQY-UHFFFAOYSA-N
-265E2D7F5768CA4C_8D45EADCA385ECB6_6038_UN,COCCC(NC(C1=C(C(OC)=O)N=CC=N1)=O)C(=O)N,MEPDNZYEXDLJNT-UHFFFAOYSA-N
-269E4ED3696D4369_82F009EA2A8E3009_6031_UN,O(C(=O)CCCC1=NN=N[NH]1)CC2=CC(=C(C(OC)=O)C=C2)C,CVWMVFBKWMOJQM-UHFFFAOYSA-N
-27671C5CF67CC535_F399851A11B523C0_6038_UN,C[N]1C=NC(=N1)C2=CC(=CC=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,QAJAJYXMDCPEGS-UHFFFAOYSA-N
-27E97C80B90ECF82_0CCCC7B63A932878_6029_UN,C1C=C(CN1[S](C2=NC=C(C(F)F)C=C2)(=O)=O)C3=C4C(=CC=C3)C=CC=C4,RNUHELSCFBVCBS-UHFFFAOYSA-N
-293B5FE9CFE13C5D_458A765233F3ABA7_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,XNHAKDGURWOSLR-UHFFFAOYSA-N
-293D84251CCE4F95_C22ADCCA17C04F13_6038_UN,COCC(OC(C1=CC=C(B(O)O)C=C1)=O)C[N]2C=NC=N2,QNWGDJAKPNEIBW-UHFFFAOYSA-N
-2EF100C361D0CFD9_96B712EC2C227A56_6006_UN,C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)C3=CN=C(N(C)C)N=C3,SMYAKMMFAGUADH-UHFFFAOYSA-N
-2F0E064DEE9DA93A_8CD4B4DE0C64B585_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,YUXMBKULSRVWHV-UHFFFAOYSA-N
-3219604733A43D66_DAB24201512C558C_6029_UN,OC1(CCN(CC1)[S](C3=C[N]2CCCC2=N3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,YANWIXONNLAAOG-UHFFFAOYSA-N
-32842A0C76A3840C_6E4453E84ACD0F7D_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=C[N](C=N3)C4=NC=CC=N4,YADRTFROPHSIAM-UHFFFAOYSA-N
-32A65B556C98EDA0_5A4A691617DE66F0_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,NCWPBPAHEUBFKV-UHFFFAOYSA-N
-333504296D8119E1_B78502A4122DF5C2_6028_UN,C1CN(CCN1[S](C2=C(C=CC=C2Cl)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,LQDVNLHRHPDZNU-UHFFFAOYSA-N
-33A6AD123A374DD4_F30A4A0AC45582C6_6041_UN,C1(=NC=NC(=C1)C2CCC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,NOPPMDDZVXWXKT-UHFFFAOYSA-N
-33A8C101D24C477F_FFB20B18D99DA6B0_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)OC3=NN=CC=C3)(=O)=O)C4=CSC=N4,IJBGLOAHJYNHSL-UHFFFAOYSA-N
-3494191A342DEF7A_A2005B55313647C6_6041_UN,C1(=NC=NC(=C1)N2CCCCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,KSKIEADKCATZSW-HNNXBMFYSA-N
-35C34D8902FD6BE0_800F25E73F38DD59_6034_UN,O=C2COC1=C(C=CC=C1)C(=O)N2CC3=CC=NC(=N3)N4CCN(C)CC4,NBESUGFXWBMFIK-UHFFFAOYSA-N
-36A81D15C93B3713_642E7CC812EBC2E9_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2F)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VVCURZFMUWBCPC-UHFFFAOYSA-N
-38E31FB66AA448A4_44B3F5600558D39F_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,FYASDGBJJNIZGO-UHFFFAOYSA-N
-39916099CE2F675D_E0E18019B28A22AA_6041_UN,C1(=CC=C(C=C1)OC2=NC(=CC=C2)C#N)NC(C)CC4=NC3=C(C=CC=C3)S4,JPDAWOQAEKLMPN-UHFFFAOYSA-N
-3A0A75BFC6EA7673_CBDCF75D5F0F9BBE_6029_UN,C1CC(CCN1[S](C2=C(C=CC=C2)OC3=NN=CC=C3)(=O)=O)C4=CSC=N4,QCVOQZUQIRRIQQ-UHFFFAOYSA-N
-3A6EE078FF525ED4_66A6D1B1C51E9BB3_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC(=CC=C4)[S](=O)(=O)N5CCCCC5,FYGMJOYWZXSPAZ-UHFFFAOYSA-N
-3A76DAF87E3CCE60_66574BD66B18C96D_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=C(C=C2)Br)N3CC(C3)OC4=NC=CC=N4,FNHRIRYWVQRTTJ-UHFFFAOYSA-N
-40CA4C1057A28479_9E2EBDF47D4ADB77_6031_UN,O(C(=O)CCC1=N[NH]N=N1)CC2=CC(=C(C(OC)=O)C=C2)C,PWQBATZTIUDIHU-UHFFFAOYSA-N
-41088ED1EFD1C0CE_53EF58933F27F8EF_6034_UN,CC(C)C2=C(C)N(C1=C(C=CC=C1)C2=O)CC3=N[N](C)N=C3,PDUBMNOAXBBOCU-UHFFFAOYSA-N
-4153BA5EEB01FDDE_F3537AFE1DA7A5D3_6031_UN,C[N]1N=NC(=C1)CC(=O)OCC2=CN=C(N(C)C)C=C2,QMNRYWMODSMQLH-UHFFFAOYSA-N
-425FA70E21E18110_FF8378D3C3F32FA1_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3,IIDUWDIOAOUBLB-UHFFFAOYSA-N
-42AC90444E1ACE8C_FE9FC5E335BBDCA0_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CC(=C(C=C3)O)C,BUGFIMDOBJFDBV-UHFFFAOYSA-N
-4408CCF8C5867C27_AF66FF60498CB0C4_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,VJPBGWUQORSWMS-UHFFFAOYSA-N
-4470A7F782DAD26A_C7CF7A2ACCA13224_7019_UN,C(CC1CCCC(=O)O1)=CC(C2=CC=C(OC)C=C2)C,HVBUEPFGVQDIJZ-UHFFFAOYSA-N
-447349A5CDB67F65_2DCBFD4E4BB33F7D_6041_UN,FC1=CC2=C(C=C1)N=CC(=C2)NCC4=CC=C([S](N3CCCCC3C)(=O)=O)C=C4,SLVQCTFQNQGBFL-UHFFFAOYSA-N
-4477018D2022FBC1_2C900E999035ED83_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=C(F)C=CC=C2)(=O)=O)C3=C[NH]N=C3)C=C4,RQMMBKVXICYCDO-UHFFFAOYSA-N
-455B55C1A2691BEF_2ACEFDCCDCBFFE52_6031_UN,O(C(=O)CCCC1=NN=N[NH]1)CC2=C(N(C)C)C=CC=C2Cl,WZIMEXVKKPRNQN-UHFFFAOYSA-N
-47153496FE95118E_58C3965DCA3EE8AD_2201_UN,CC1=C(C)C4=C(N=C1C3=C2C=CC=CC2=CC=C3)SC5=C4CCC5,RYPYFPLYJJUEEO-UHFFFAOYSA-N
-4819EDF226BD42CE_99B2CEF8FD60B786_6029_UN,C1CN(CCN1[S](C2=CC(=C(O)C=C2Cl)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,ZIPZCPRILCTVKR-UHFFFAOYSA-N
-4AE5E62BA0AA4D8D_0F4081166F27C77B_6004_UN,C2(=C1CCCCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,WSEGNCKHXJIBAI-UHFFFAOYSA-N
-4E6FE010ADA07DFF_9D044065FD8A7E2F_6038_UN,CC3C(OC(=O)C1=NC=C(C=C1)[N]2C=NN=N2)CC4=C3C=CC=C4,YFQHMKIXXCREFM-UHFFFAOYSA-N
-4F9E65E4CBCB308E_5958B22EACFEFFBB_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(CC)C4CC3=C(C=CC=C3)C4,WORQJYSABLMIEX-UHFFFAOYSA-N
-5020AE4E0F7F3E56_E4AB7F27F2D5842F_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCN(C3=CN=C(N)C=C3)CC4,AAAXZNHPPMHPCS-UHFFFAOYSA-N
-50584841257B6CC4_754A265C493F1A15_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=CC=C(CO)C=C3,NCPHJLNBKVZIOU-UHFFFAOYSA-N
-517CDBD2CBFBD89C_9C0044684929EABF_6041_UN,C1(=NC(=NC=C1)C2CC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,BEPSYEZRPLQCEN-UHFFFAOYSA-N
-51F836F1B1E5E908_53C727900E29E3A3_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC3=C(C)C=C(C=C3)C4CC4,BNZDIKREWGIANQ-UHFFFAOYSA-N
-53D1FC5C43ED25BB_EC897C9E59352D6F_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)F)C(N(C)C)=O,SBBJHIOETGDPEB-UHFFFAOYSA-N
-5546CCD44988D336_47338951405482C5_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CCC4,ZDQIFIJPOZYMMZ-HNNXBMFYSA-N
-559F0F37D2EB90EB_7986E9DCBED079C9_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)C4,YMAWEEVBIBJZLR-UHFFFAOYSA-N
-5676BDCD9BFD77B0_48DB5FD3EF56A0CA_6028_UN,C1CN(CCN1[S](C2=C(C=C(C=C2)Cl)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,STTBQDNSRIONOT-UHFFFAOYSA-N
-56DF8ABBF1977156_C54C6C2FCF4177BD_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]4C3=CC=CC(=C3OCC4)C,KNAIJYPGDAOLCU-SFHVURJKSA-N
-576ACBE0AC5488F5_7B1D59A6B9A66322_6038_UN,N(CC1=C[N](=CC=C1)=O)C(C2=C[N](CC(N(C)C)=O)N=N2)=O,QHBUXCJCQYWSDN-UHFFFAOYSA-N
-589931CB2DA868F7_5F42B23CBEBB40B6_6041_UN,C1(=NC=NC(=C1)N2CCCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,KSKIEADKCATZSW-UHFFFAOYSA-N
-592CFE4D3F051EBC_9CE13EA22DDAE3E3_6041_DP,C1(=NN=C[N]1CC2=CC=CC=C2)NC3(C(OC)=O)CNC3,HHHWSULKHANEFT-UHFFFAOYSA-N
-5967D9473B5D4622_85DC4E8FB4C34B36_6029_UN,C1CN(CCN1[S](C3=CN=C(OC2=CC=CC(=C2)Cl)N=C3)(=O)=O)C4=NN=CC=N4,HPCPJKNQAYIAKI-UHFFFAOYSA-N
-599CA6F068C2D245_9EE0DF9D112E5983_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC4=CC(=C(N(C)C)C=C4)F,PFZPAJFICXFHBO-UHFFFAOYSA-N
-59D046C08A722C15_F2B22AC3ED00A227_6029_UN,C3=CC1=C(C=C(C=C1)C2=CC=CC=C2)[N]3[S](C4=NSC(=N4)C5CC5)(=O)=O,WBQIHDJMVZQQIP-UHFFFAOYSA-N
-5A7E16B87F6B8657_73E455024B168059_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3CCOC4=C3C=CC=C4,PTVVECVBWFUSIE-UHFFFAOYSA-N
-5A82AC266C508B90_0A71AF4D23798DF3_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]2CCOC3=C2C=C(OC)C=C3,NLNWQJNYYIXWKT-GFCCVEGCSA-N
-5C85869871A8C135_933E3DCACC8C37D6_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3CCC(OC)CC3,QVRZQJFBDOWRKO-UHFFFAOYSA-N
-5D93DB37A1E38A1E_C9D1DE499043230A_6029_UN,C1CN(CCN1[S](C3=C[N](CC2=C([N](N=C2C)C)Cl)N=C3)(=O)=O)C4=NC=CC=N4,UUUQTZUZJWXNTJ-UHFFFAOYSA-N
-5DA091A189736005_C3044924788BB5F0_6028_UN,C1CN(CCN1[S](C2=CC=CC(=C2Cl)C)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,HURAHZIWVWHMGA-UHFFFAOYSA-N
-60E282AEF9299A5B_CADE4CD77E7FCFF9_6031_UN,O(C(=O)CCC1=N[NH]N=N1)CC2=CC(=C(N(C)C)C=C2)F,YOBZHPRJNCJTFN-UHFFFAOYSA-N
-610F528F20E7564C_A9BD4AF97E8F7F9A_6041_UN,C1(=NC=NC(=C1)C2CC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,PCFVKCKQRNALGO-UHFFFAOYSA-N
-614A584DBB5CF13D_BD1FFDAFA9E71429_6038_UN,O(C1=CC(=CC=C1)[N]2C=NN=C2)C(CC3N(C)CC=CC3)=O,YUTYLNWEAZLPLC-UHFFFAOYSA-N
-61D2A68B0312D5A3_AFC8D5DBC1D65166_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=CC4=N[N](C)C=C34)=O,SJBAUOSBOWVLRY-UHFFFAOYSA-N
-631C91369424F7D4_C98BD217F97A6083_6035_UN,CC(OC1=C(C(OC)=O)C=CC=C1CC(=C)C)C2=NN=N[NH]2,LNLNSYQISGQGPB-UHFFFAOYSA-N
-6361C4B6B3C9A86A_C44D6470BC93F91A_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(N(C)C)C=CC=C3Cl,FSNSPIQYBKAFEP-UHFFFAOYSA-N
-64041DD3DB1EEABB_5EAFB8D158AEBF2E_6029_UN,OC1(CCN(CCC1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,JHQGIIJMTIKDEQ-UHFFFAOYSA-N
-6420DE98F7C50FD5_2FBED714C4B6159B_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]3C4=C(OCC3)C=CC=C4,PTVVECVBWFUSIE-KRWDZBQOSA-N
-646C7AC7F74AF16C_6A1F90B3AB3DC347_6029_UN,C1CN(CCN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,RXXMSTOHCYXBAF-UHFFFAOYSA-N
-66AFD2825F006B87_6AEA74F9B685B7F1_6029_UN,C1CN(CCN1[S](C2=CC(=C(C)C=C2)C(F)F)(=O)=O)C4=NC3=C(C=CC=C3)O4,UEQZIJQHZORTPM-UHFFFAOYSA-N
-66EBB2C1D0A98220_647F447ADF311490_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(O)C3=CC(=CC=C3)F)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,IIWVXZGIZMWTHM-UHFFFAOYSA-N
-68344AEBA6768F8B_1341A50EDFC63B13_6041_UN,C1(=NC=NC(=C1)OC2CCCCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,MFXHHSVVSBGHDR-UHFFFAOYSA-N
-695319F3BBABE338_F95D2D9CF9A177C2_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,VWBSVIUNLOTIIM-UHFFFAOYSA-N
-6A49A0F0AF8C6B5D_E9F6A60346CE950D_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,ATQJOJBFFSPNAU-UHFFFAOYSA-N
-6CF6D232A1A2C262_1EC20B581E4D348E_6029_UN,N(C1=C(C(=CC=C1)Cl)[N]2C=CC=N2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,FUMKTOBCRVCAOT-UHFFFAOYSA-N
-6D5E099CD993E651_FADF2CE5DBB5BF5C_6029_UN,OC1(CCN(CC1)[S](C3=CC2=C([C@@H](O)CC2)C=C3)(=O)=O)C4=CC=CC=C4,RIOUDMNXQPNIQX-IBGZPJMESA-N
-6D5E0C545FCBA4DC_B3A9634E05C91AF7_6029_UN,C1CN(CCN1[S](C2=C(O)C=CC(=N2)I)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,GTZMGNGTBZPZCA-UHFFFAOYSA-N
-6DAD24D57F29B77E_AE899C9A35DF464B_6029_UN,N#CC(=C1CCN(CC1)[S](C2=CC=CC(=N2)CC)(=O)=O)C3=CC=CC=C3,DYCBVYNYCIDDOL-UHFFFAOYSA-N
-6EB9D383E441D8AF_C201A977F420E844_6038_UN,CC1=CC(=C(C=C1)N4CCC(OC(=O)C2=N[N](N=C2)C3=CC=C(C=C3)F)CC4)C,VSQPWZFKCGXBJM-UHFFFAOYSA-N
-706BE4EA398A1C77_E1D51EA5E99A0E7C_6029_UN,OC1=CC=C(C=C1)CN2CCN(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,SRPZRCSELLCRQN-UHFFFAOYSA-N
-7087163346F3EFD0_3F2766350F41BCEA_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NC4=CC=C(C(N3CCN(C)CC3)=O)C=C4)F,PKYWAOBSMPOXKW-UHFFFAOYSA-N
-736E23EE0609A779_A58FBE72F838C89C_7019_UN,C(N1CCCC1=O)=CC2=C(C=C(OC)C=C2)OC(F)F,YOWVUHBVIFXUBK-UHFFFAOYSA-N
-739CEF64FAFE6112_2DF40E394714C54F_6029_UN,CN(C1=CC2=C(C=C1)C(=NCC2)C)[S](C4=C(Cl)C=C3OCCC3=C4)(=O)=O,BZJUNMPZVHOGHQ-UHFFFAOYSA-N
-7501A11C660B6170_CC7B59AC9FCF60DC_6029_UN,N(CC(C1=CC=C(C=C1)Cl)[N]2C=CC=N2)[S](C3=C(C)C=C(N=C3)C4CC4)(=O)=O,SCDNQNQJEDNAKN-UHFFFAOYSA-N
-751F6A61C0331576_DDB2ED85336F4FF6_6034_UN,COC1=CC2=C(C=C1)N(C(=O)C(=C2)C)C[C@H](C3=N[NH]C(=N3)C)N,TXKWCLDJQBHGON-CYBMUJFWSA-N
-75C146E908D0C886_D97A1503AFD3878B_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=C(C=C3)N4CC=CC4,UVVQNGHPHRRYCK-UHFFFAOYSA-N
-7641C3504E753637_38328DCBAB5E2810_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OC)C=CC(=C2F)Br,METPACIQHMQTCI-UHFFFAOYSA-N
-76A67824903C8F04_97BEA3AA0CAFF3CB_7019_UN,CC(C=CC1=C(C)C2=C([NH]1)CCCC2)C3=CC=CC=C3,FPQNKMSJTOAQCV-UHFFFAOYSA-N
-792AFB9A42132641_B739F054D9182897_7022_UN,COC1=CC(=CC=C1)OC3CN=C2N(C=C(C)C=C2)C3,BNKNIIGLOZAADH-UHFFFAOYSA-N
-7A09849E619A0DFB_AD9DD0516DF28D3E_6041_UN,CC1=NC(=NC(=C1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,QBQRUARYWBEISG-UHFFFAOYSA-N
-7A80609368E196FB_8B5EBA1762E77319_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC3C2=C(C=C(OC)C=C2)OCC3,WTCGRLGWVKKCJJ-UHFFFAOYSA-N
-7B2A945D24CA34A6_6C56A1801CD13DE4_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,OZCBUBCLZPPGIU-UHFFFAOYSA-N
-7BCA6576B641C949_9DA180439651DA66_6031_UN,O(C(=O)C2=C1[NH]N=NC1=CC=C2)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,JDLZSNVJGVCPFG-UHFFFAOYSA-N
-7CA9EA14D6DFF034_DA6D2FC9D7240432_6038_UN,COC(=O)C(=CCNC(C1=CN=C(N(C)C)C=N1)=O)C,YZSDIHTZHJWHIP-UHFFFAOYSA-N
-7CB459483CE414A6_D2275734FC06E74B_6029_DP,CN1CC(N(CCC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,YIAYJJYKMMSSRG-UHFFFAOYSA-N
-7CEE18EF5287615C_95308EF837D66515_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)SCC4,XLODFYWOMBJLIS-UHFFFAOYSA-N
-7D45F78C29E0F0E4_6C36F28DB441700A_6038_UN,CCOC(=O)C1=C(C)[N](CC)C2=C1C=C(C=C2)OC(=O)CCCC3=NN=N[NH]3,AKMCDNNYQWHGLC-UHFFFAOYSA-N
-7DBF544BAD259090_B0A5AB185BC06442_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCC3)C=CC(=C4)C5=CC=CC=C5,GRORUGHXHXGRNW-UHFFFAOYSA-N
-7EA73D9B5FC36BDA_D9DF188BE73B4E90_6028_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,AMTSVVLOQCDWKR-UHFFFAOYSA-N
-7EB0A9D2E2FD0861_E8D12FFAED4CF2F6_6034_UN,C(NC2=C1N(C=NC1=NC=N2)CC3=CC(=C(OC)C=C3)B(O)O)C4=CC=CO4,YCVZYEXEBAMCJW-UHFFFAOYSA-N
-7F1B07981EA24F76_479918A55EB37813_6038_UN,CC3=C(OC(C2=CC=C(C1=NN=C(C)[NH]1)C=C2)=O)C(=O)CC3,LRTHXLLZTXRPQC-UHFFFAOYSA-N
-7F3D5D5291A9901D_1AF713EC5F1041CF_6041_UN,C1(=NC(=NC=C1)C2CCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,CTMQYRYPEISJNM-UHFFFAOYSA-N
-7F3E89481AADAFAE_1200AB6EB3D2595F_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CC(=C(C=C2)Br)C)C=C3,WYEMGUZFIZGVCZ-UHFFFAOYSA-N
-812BD13DE175F79C_A5AAAAC0E5C6F5F0_7019_UN,FC1=CC=C(C=C1)N3C(=NC2=C(C=CC=C2)C3=O)C=CC4=N[N](C)C(=C4)C5CC5,JGMPWJJCSSMTCJ-UHFFFAOYSA-N
-8344AF5DC1199413_560B868245EFA80C_6004_UN,CC2=N[N]1C=CC=CC1=C2C3=CC4=C(C=C3)OC(C)C4,BVKQHEAILVPLGE-UHFFFAOYSA-N
-8346F8FBA2CE4FAD_696F1487A02F3C55_6027_UN,N(CC1CCC2=C(CC1)C=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,FLUYSTJCCSBZRC-UHFFFAOYSA-N
-837963B589D78672_C6A8BE7B5C04D081_6026_UN,ClC1=NC=C(C=N1)[S](=O)(=O)NCC3=C(CN2CCN(C)CC2)C=CC=C3,MKJBIADOWJSOCU-UHFFFAOYSA-N
-85B1EE403E3670FF_41D608D7D5423115_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,PDESAPJWFYWMDP-UHFFFAOYSA-N
-861AAFBCEE9B4A6B_829BD1DEE9C7DEF3_6041_UN,CC1CCC(CC1)OC2=NC(=CC=N2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,ROZIDDQGJFGCRE-UHFFFAOYSA-N
-8689D38AA6115155_C1181C54829540C9_6039_UN,O(C(C1CC1)C2=NC=CC=N2)CC3=CC=C(O[S](F)(=O)=O)C=C3,WOYYZJNRUSDIGK-UHFFFAOYSA-N
-86D199EB6C649867_F7A76F65C941DF11_6034_UN,O=C3C=C(C1=CC=CC=C1)[N]2N=CN=C2N3CC4CNCCN(C)C4,ULKLJBFUKKAXEF-UHFFFAOYSA-N
-86D630F9028E63FE_63482E3A91D7BDEB_6038_UN,CN3CCN(CC1=CC(=CC=C1)NC(C2=CC=C([S](C)(=O)=O)[NH]2)=O)CC3,NPNWNWCZRWZRMU-UHFFFAOYSA-N
-8770183924C1041E_BC6E2DC9A5919A96_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,HVWVWMFKJVKMCU-UHFFFAOYSA-N
-87DB242C64929976_A2D595C95C67A84E_6034_UN,O=C(C1CC1)C2=NN=CN2CC3=CC=CC(=C3)C(C)=O,VDZUIHIDJNAZRK-UHFFFAOYSA-N
-880EDA72BF063B76_034BBEC493E7C0E9_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=NC=C(I)C=N3)CC4,KFIOQCYWXHYGHO-UHFFFAOYSA-N
-885EFEEF76827FC4_FCD7C24746DE6A48_6038_UN,CCOC(=O)C1=C(C)[N](C)C2=C1C=C(C=C2)OC(=O)CCC3=N[NH]N=N3,SZLZFBZLCBNABG-UHFFFAOYSA-N
-887ABA245CB528A0_07491D2A21C599CF_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC(=CC=C3)N4CC=CC4,HYYRDOUFZYRZQV-UHFFFAOYSA-N
-89EFB77A4E0BFFCB_1186D9ACA9E5A05D_6041_UN,CCOC(=O)C1=N[NH]C(=N1)NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3,KTJFPYYYHFKDOD-UHFFFAOYSA-N
-89FD2AAB52834633_E9B4E3F0D4F3EB8E_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(OCC[C@H]3O)C=C4)(=O)=O,QBFXPBDRGHYCKF-HXUWFJFHSA-N
-8C17518F5CDFB34F_6C8E0FBE2C19FF61_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,HWHMJFCZOOORDG-UHFFFAOYSA-N
-8F81B182926A12EC_C8AC7BE24F2E7C4F_6034_UN,O=C(C1CC1)C2=NN=CN2CC3=C(N(C)C)C=CC=C3,JPWWYTMFFQROBX-UHFFFAOYSA-N
-915397E56B7E65FE_AF4B992ACBA7FA32_6041_UN,COC1=C(C=C(C=C1)NCC2=CC(=C(C(OC)=O)O2)C)CC3=NN=N[NH]3,PTXDPDVKWYXZOL-UHFFFAOYSA-N
-92C3F7F022231787_9F1099452B6AA726_6038_UN,CCOC(=O)[C@@H](NC(C1=CC(=C(C(OC)=O)O1)C)=O)CC2=C[NH]C=N2,AVFQUIPLOMYFQJ-NSHDSACASA-N
-9340177C7DC5AF09_766529F061C5C364_6039_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OCCC2=C[NH]N=C2,RWCXBTPMURNCLM-UHFFFAOYSA-N
-9340177C7DC5AF09_7A41497B46091B13_6039_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OCCC2=C[NH]N=C2,RWCXBTPMURNCLM-UHFFFAOYSA-N
-9342A2C39674CF5B_35229140DD72BEE4_7013_DP,CC1(CCCC1)[N]3C2=CC=CC=C2N=C3[C@@H]4C[C@@H](CN4)F,VWBXVSZYVNODEP-JSGCOSHPSA-N
-94A100256D5B0CB4_097671175D56E16A_7019_UN,COC1=CC(=C(C=C1)OC)C=CCC2=CC=C(F)C=C2,QWKLLCMCOLDSQA-UHFFFAOYSA-N
-9538DCF08AB7A8A2_324C5CFE1EF952DB_6029_UN,C1CN(CCN1[S](C2=CC(=C(F)C=C2)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,KVDYITVHDLIDBI-UHFFFAOYSA-N
-95B2D8A120728B21_7FC87F1EF4247459_7019_DP,N1CCN(CC1)C(=O)C=CC2=CC=C(OCCOC)C=C2,YSIDOGSPUWWJTL-UHFFFAOYSA-N
-96039E228C490E6F_4A31A5F115800ACC_6031_UN,O(C(=O)CC1=N[NH]C=N1)CC3=CC(=C(N2CCN(C)CC2)C=C3)F,KNGUHKBGWGEJKX-UHFFFAOYSA-N
-96881F3226CE2830_ECE2A5B5A3C9A982_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C)=C[N]2N=NC=C2)=O,SFLOIYDARLIPQC-UHFFFAOYSA-N
-97044E89D8F0AEF9_5E2EAA6180D6D88D_6041_UN,C1(=NC(=NC=C1)C2CCCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,SECBMAMTVCXFHT-HNNXBMFYSA-N
-974A7D4456499370_0BE59B15DA725DF2_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,MLCYYHBTQBMHRC-UHFFFAOYSA-N
-97A9F8D2FD38DAEF_5B1379C1A62FF139_6034_UN,O=C1N(C(=CC=C1C#N)C2=NC=CC=C2)CC3=NN=C(C)[N]3C4CC4,GFOAJHBOQVWJLT-UHFFFAOYSA-N
-97D0710AE77E18A6_D8E85B138F5AE130_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(C3)OC4=NC=CS4,FXZSYBUMBFBZQY-UHFFFAOYSA-N
-97D980DED282EC58_EF6CA2B0E7B20C18_6038_UN,O(C1=CC=C(C=C1)OC2CC2)C(CC3=NN=C[N]3C)=O,FJSMWJLCQDPVEW-UHFFFAOYSA-N
-9847180A2CFBDCCB_042C47EC60C05366_6029_UN,N(C1=C(C=CN=C1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,SJZKMMZABPDTBI-UHFFFAOYSA-N
-989C9FC6849ED0CA_92952F193C0E76E6_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC3=C([S](C)(=O)=O)C=CC=C3,UFWQOSYZPUJDMN-UHFFFAOYSA-N
-98C36922A5DDA603_D7AB50DF93906D9E_6029_UN,OC1(CCN(CC1)[S](C2=NC(=CC=C2)[N]3C=NC4=C3C=CC=C4)(=O)=O)C5=CC=CC=C5,QZIJGQGEJCTEPS-UHFFFAOYSA-N
-99D37C0508E7263E_7A7B60DBDCB7FA72_6038_UN,O(C2CC[N]1N=CC=C1C2)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,JZYNQVROXSDIQF-UHFFFAOYSA-N
-9A441AB68E29E9B1_D8A4D89527A1BF05_6029_UN,OC1(CCN(CC1)[S](C2=NN=C3CCCC[N]23)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,LVLPQVYPZHCDOZ-UHFFFAOYSA-N
-9B20D6158FA0B46B_0BEF6408AF83D0DF_6034_UN,O=C3C=C(C1=CC=CC=C1)[N]2N=CN=C2N3CC4CCN(C)C4,FVASGRQFOHBXCO-UHFFFAOYSA-N
-9C4B285E64A62F02_2820FECF7364BD70_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)F)C=C2)(=O)=O)C3=CC=NC=C3,DUNOSXPGIJACMR-UHFFFAOYSA-N
-9D9FF9210838E30C_BC03D1111421030E_6029_UN,C3=CC1=C(C=CC=C1C2=CC=CC=C2)[N]3[S](C5=CN=C(N4CC(O)C4)C=C5)(=O)=O,WGWJSYRTINEFFF-UHFFFAOYSA-N
-9E0154F427C9A333_5F8D4504F81966E1_6029_UN,N(CCC1=CN=CN=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,BXXZGEWIPBMRMC-UHFFFAOYSA-N
-9E4746DE8D1050F0_FD9D572412429B59_6029_UN,N(C1=C(C(=CC=C1)Cl)[N]2C=CC=N2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,AAEUGENWAMQWNG-UHFFFAOYSA-N
-9F09FB8A493BF901_8EB1A8F47C4EB8AC_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=CN=CC=C3,GWIVHMZCACFYAN-UHFFFAOYSA-N
-9F36F7B2A235DBDB_D3C66A1E5360B17B_6038_UN,C[N]1C=NC(=N1)C2=CC=C(C=C2)OC(C4CN(C3=C[N](C)N=C3)C(C4)=O)=O,WLWIQASPBHSTGM-UHFFFAOYSA-N
-A21EC774690BF166_0107BE11182A4999_6029_UN,OC1(CCN(CCC1)[S](C3=CC2=C(CC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,DCYNIIQSMSQMCJ-BGERDNNASA-N
-A27AF5B0BC436D65_D1C8CC30C0526EB4_6041_UN,OC(=O)C1=CC(=C(C=C1)NC2=C(N(CCC)C)C=CC=C2)N3CCCC3=O,AWSBJCHXGULSGH-UHFFFAOYSA-N
-A2CBD7918E464EC7_4F10EE1FD25BE036_6041_UN,CC1CCCN(C1)C2=NC=NC(=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,YYPLBJQFYSUNQA-UHFFFAOYSA-N
-A37A8E88B78538F8_AD2C84B18DFAAC60_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCN(C3=C(C)C=CN=C3)CC4,TZWZKGIZYQTNRZ-UHFFFAOYSA-N
-A3F8D5259975377F_2B156C588CF6F1CF_2201_UN,CC(C)C1=CC4=C(C=C1)OCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,XFKCZRBZABSOGJ-UHFFFAOYSA-N
-A5B88C96529A477E_17BE1FB6159604E4_6029_UN,BrC1CN(CCC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,WAKZKRGVDGVXRT-UHFFFAOYSA-N
-A6BFC80A11C086E9_A1F2F9BEE45350D9_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC=CC(=C2)C[S](C)(=O)=O)=O)C=C3,VUSUIZIOYUTTKU-UHFFFAOYSA-N
-A8311A17593EA1A8_10FD173268318076_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3CCOC4=C3C=CC=C4,LBOSIIVEMLJUHU-UHFFFAOYSA-N
-A9325904F883D878_5C2EAD00B1F9107B_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,YYQDEUHJMOXQQX-UHFFFAOYSA-N
-AA5950CCA71631D5_DA83B63BA44D5386_6029_UN,OC1(CCN(CC1)[S](C3=C[N]2CCCCC2=N3)(=O)=O)C4=CC=C(C=C4)C5=CC=CC=C5,KQGPBCQZWKCLLD-UHFFFAOYSA-N
-AAE12AC573D25786_66FCEAF93D50A2FE_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC=C(C=C3)[S](=O)(=O)N5CCC(CC4=CC=CC=C4)CC5,ZXZDBNKIPMOKGY-UHFFFAOYSA-N
-AB0DA430C613ED08_728BB8BE36BD04C6_6041_UN,CC(C)(C#N)C1=C(N=CC=N1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,KCFKTEHJKPPBMQ-CQSZACIVSA-N
-AC69439B2A2F7147_61D64EE74A4EC804_6041_UN,C[N]1C=CC2=C1N=CN=C2NC4=C(C(N3CCCN(C)CC3)=O)C=CC=C4,VEEUQKXTUVHJMV-UHFFFAOYSA-N
-AD5672F3A5A91F7E_F5C68DBA79163AD5_6041_UN,CC(C)C1=NC(=NC(=C1)C2CCCC2)NC3C4=C([S](C3)(=O)=O)C=CC=C4,UPVRJKKGSYBJCK-UHFFFAOYSA-N
-AD8BBB26CEDFD2EF_FA3D7727597AA2C0_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC3=CN=C(N(C)C)C=C3)F,HITWNBMSKWTLJG-UHFFFAOYSA-N
-AFE49205A544B5AC_2B71DCA82756921F_6039_UN,O(CC(F)(F)F)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,LHURFJVVUJMZDT-UHFFFAOYSA-N
-B08E494975CF8BD1_321EDD97C64366BA_6026_UN,[S](=O)(=O)(C1=C2C(=C(C=C1)Br)C=CN=C2)N3CC(C3)OC4=NC=CC=N4,BOJXHLWSGLAXOA-UHFFFAOYSA-N
-B1C33DB94C42C2AC_72AC8A210D5F95FC_6041_UN,FC1=C(C(=CC=C1)C2CC2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,BGXNDCYEZYZVQM-UHFFFAOYSA-N
-B1E38C26218E4BE1_16275CCA28AF7665_6029_DP,CC1(CCC(CC1)N[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,GMWGKAKFWALGPF-UHFFFAOYSA-N
-B3A7374FDE661637_F390C1C3D3659F63_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NCC3OC4=C(C3)C=CC=C4,NBMMWKHYZUWAPV-UHFFFAOYSA-N
-B54ABAAB6AA092FE_BA7BBD75745DCC3D_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C(OC)=O)C=C2F)C=C3,WJOWPTWAQUDTAU-UHFFFAOYSA-N
-B57E8FAD616086D4_E542CDBF90C591B2_6028_UN,C2CCC1=C(C=CC=N1)N(C2)[S](C4=NC=C(C3=CC=C(C)C=C3)[N]4C5=CC=CC=C5)(=O)=O,SRIZMWIWCPEJFK-UHFFFAOYSA-N
-B5B855ED39F727D0_0591E3E869EE4190_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(C=C2)C3(CCCCC3)C#N)(=O)=O)C4=NC=CC=C4,WCAPQZAUVSEXRO-UHFFFAOYSA-N
-B661C8286D37CA31_F94F26B3A36CC8F8_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=CC(=CN=C3)C#N)(=O)=O,IGMWOGIURKIZRM-UHFFFAOYSA-N
-B6D67315B0F3DB5C_5B06743334A9FCBB_6028_UN,C(C1C5=C(CCN1[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O)C=CC=C5)C6=CC=CC=C6,LMKDNSHKNFKRBW-UHFFFAOYSA-N
-B79501546E91D200_2D05006D42C8BF97_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,ORTGOIMELSXWFR-UHFFFAOYSA-N
-B7CF8937529F1459_F393BD0D81D088EA_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC(=CC=C3)N4CC=CC4,VLZNBTNAIFQJFN-UHFFFAOYSA-N
-B7F3F2D8E9DADBF9_7BB29F1E1070A5E2_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NC3=CC(=CC=C3)C[S](=O)(=O)C4CCCCC4,ZHVLWVQJSVATKG-UHFFFAOYSA-N
-B881259C70BFC2C8_79C7DAAFD9DC67AA_6035_UN,CC1=C(C(=CC=C1)C2(CCNCC2)OC3=CC=C([S](C)(=O)=O)C=C3)C,WETUWBFLJBTNPG-UHFFFAOYSA-N
-B95FFCF7F11A1840_A3F01E48B471B4D7_7022_UN,CC1=C[N](N=C1)C2=CC=C(C=C2)N3N=C(C(C)C)OC3=O,KUHWVMNZCLKQOJ-UHFFFAOYSA-N
-B9AEBDA10D498BDE_74439051AF6B9CD6_6029_UN,N(CCC1=CN=CN=C1)[S](C2=CC(=CC=C2)C3CCCCC3)(=O)=O,LVMNALFVZYVANX-UHFFFAOYSA-N
-BB89D6946B2387AF_BE5AB7D4B2185C49_6038_UN,CC(OC(C1=NN(C)C(CC1)=O)=O)C2=NC=C(C=C2)N(C)C,IISYOTAGFJJYJK-UHFFFAOYSA-N
-BC5671CBCB264CE2_2A11891309FF02A5_6031_UN,O(C(=O)CC1=NN=N[NH]1)CC2=CC(=C(C(OC)=O)C=C2)C,GACMMYQZHZFXKS-UHFFFAOYSA-N
-BD6A4A0BC19C9A2D_214EE4F1ADD96E74_6029_DP,C3=CC1=C(C=C(C=C1)C2=COC=C2)[N]3[S](C5=CN=C(N4CCCNCC4)C=N5)(=O)=O,QAJPCLSVOZTTRM-UHFFFAOYSA-N
-BDD49F71D9FB5885_A87411B49E0FCC82_6029_UN,FC1(CN(C1)[S](C3=CC2=C(CC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,IPEIUNDMMBZCCP-KRWDZBQOSA-N
-BE2B90ADA0D3CF24_AD90D67BFDD4B88C_6031_UN,O(C(=O)C1=CN=C(Cl)[NH]1)CC3=CC=C(N2CCN(C)CC2)C=C3,DGCWMFPTNTYAPO-UHFFFAOYSA-N
-BE4DB4281983AD44_5053030720E2084C_6029_UN,C1CN(CCN1[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O)C3=NN=CC=C3,HTSPQIDKEQBTLK-UHFFFAOYSA-N
-BE9FC72BF198CFB0_6158651D72996C8A_6031_UN,C[N]1C(=NN=C1)CC(=O)OCC2=CN=C(N(C)C)C=C2,HGTORIRSBTXCMF-UHFFFAOYSA-N
-BFC01BDE06478EA8_C714015658643E11_6039_UN,O(C2=C1C=CC(=CC1=NC=C2)[N](=O)=O)CC3=CC=C(C=C3)[S](=O)(=O)Cl,NTDHNCXSXRTQFT-UHFFFAOYSA-N
-C02809C57484A011_532DFB64500E8521_6041_UN,C[N]1C=CC2=C1N=CN=C2N[C@@H]4C3=CC=CC(=C3OCC4)C,FVXXMLAJORBDRW-AWEZNQCLSA-N
-C0E61C262632E110_2C41122CC43ADE07_6026_UN,[S](=O)(=O)(C2=C1C=CC=NC1=CC=C2)N3CC(C3)OC4=NC=CC=N4,BGRBWWPDYYIUHH-UHFFFAOYSA-N
-C1AABADDD252EC66_E9FFB7C2839A570B_6038_UN,O(C2CC[N]1N=CC=C1C2)C(C4=CC=C(C3=NC=N[N]3C)C=C4)=O,YUFQWQCNOSAVOG-UHFFFAOYSA-N
-C204AD02AE69F79F_A92E3F6F242F4E45_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4CCCN(C3=C(C)C=C(C=C3)F)C4,WVTAMOYTNAZADJ-UHFFFAOYSA-N
-C204C7E76039A3CC_370D08F81A992F9A_6038_DP,N2C[C@@H](NC(C=CC1=CC(=C(OC)C=C1)OC)=O)CO2,BWUOKYNYVCISFS-LLVKDONJSA-N
-C2BF9517B91AD55A_BA716038CFD985B5_6041_UN,CC1=NC(=NC(=C1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CCC4,ZDQIFIJPOZYMMZ-UHFFFAOYSA-N
-C37F67E159DB594B_02418A34BD071E89_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=C(C(F)F)C=C3)(=O)=O,LDXWKQNLSONDQF-UHFFFAOYSA-N
-C458FAB502F72D65_08EAAFDF922C4B04_6029_UN,N(CC1=NC(=CC=C1)[N]2C=CC=N2)[S](C3=C(C=CS3)C4CC4)(=O)=O,RTUBWAHWWOMWMX-UHFFFAOYSA-N
-C7D75673251DEE84_8F371DDA5C495285_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,BJPFNNIQAAEQDE-UHFFFAOYSA-N
-C7D953D913C855AB_8B2B533B4D7F4311_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC=C(C=C3)N4CC=CC4,NHPOESOGMTWIJN-UHFFFAOYSA-N
-C861CBDFC23BFB08_A1C2FB35637C4C70_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC(=CC=C3)N4CC=CC4,PJCRSZQNPLQLAA-UHFFFAOYSA-N
-C92F07DDB27FDAF0_BD92FE69D2315DCA_6029_DP,C1C(CN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)[N]4N=NC(=C4)C5=CC=CC=C5,ZHLDSUGXFMCXRW-UHFFFAOYSA-N
-C96AD90B07388B88_4B57C18C204C0FB0_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]2CCOC3=C2C=C(OC)C=C3,QJBSCAJZCJKSEB-GFCCVEGCSA-N
-C997C7D4F1B5B473_60842A11A915B54D_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C3=C(OCCC2)C(=CC=C3)F,KFRNLSNVBNUKEH-UHFFFAOYSA-N
-C9CCF4434B0DA2BC_C67C943F377245F0_6029_UN,C1CN(CCN1[S](C2=C(O)C=CC(=C2)F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VSZVZQSWYFGHGH-UHFFFAOYSA-N
-CAAA9F3A4ABE01C9_EEFF8F119BDECC38_6043_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)N([S](C)(=O)=O)CC4=CC=CC=C4,GYZHKVGOMOXXOZ-UHFFFAOYSA-N
-CB1391DA79576AA2_FBC701872EF7B8DD_6041_UN,C1(=NC=NC(=C1)C2CCCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,UTZGIPJXKZKKTP-UHFFFAOYSA-N
-CB15F2917FC8C9F4_B81F32866EDE9C25_7022_UN,C1(=C(C=CC=C1)C2CCC2)NC3=C(C[S](C)(=O)=O)C=CC(=C3)Cl,FEPAXSCNXUQEKI-UHFFFAOYSA-N
-CCA01C8DB3C2ADC3_DF333C8B70EFCE25_6028_UN,N(CCC1=NC=CN=C1)[S](C2=CC=C(C=C2)C3CCCCC3)(=O)=O,RMRMXZCBAQEWSC-UHFFFAOYSA-N
-CCEEEF16C4F92E03_3C00B36184D3124A_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=C([S](C)(=O)=O)C=CC=N4,PUWSUMREMDYXFX-UHFFFAOYSA-N
-CDAF5D7F5F9A3C9D_94C3638EB69606FF_6009_UN,C1(=CC(NN=C1)=O)C4C(C2=C[NH]C3=C2C=CC(=C3)C)CCNC4,LWIMWIHYBQUHJN-UHFFFAOYSA-N
-D04214ED795C68BB_376B2CC0423D1BC3_6029_DP,C(N4CCC1=C(C3=C([N]1[S](C2=CN=C(O)C=C2)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,ZOFPCTCIHCSTGT-UHFFFAOYSA-N
-D0A9FC9455A1E95C_DE0C3CFD38182B01_6038_UN,CC1=CC(=CC(=C1)OC(C3=CC=C(N2N=C(C)CC2)C=C3)=O)N4CCCC4=O,CLOSLTOPPMCAMB-UHFFFAOYSA-N
-D0F081C69DD291E5_9483148729D059C0_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,GBPMPXGHVFIBHZ-UHFFFAOYSA-N
-D11DB8B826B6A984_DA6F5FD07EC2639B_6029_UN,FC1(CN(CC1)[S](C3=CC2=C(OCC[C@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,QSRQQWZCJOLRNM-DUSLRRAJSA-N
-D131443227334D99_3E1E491F1C9FC693_6034_UN,O=C2C=C[N]1N=CN=C1N2CC4=CC=C(N3CCN(C)CC3)C=C4,PIEYZOGKMDANHV-UHFFFAOYSA-N
-D17AB082998937FB_E1A5F069D6FC554D_6041_UN,C[N]1C(=NC2=C1C=CN=C2)NC3CCN(C)C4(C3)CC4,ZMLHRZAANDLQCD-UHFFFAOYSA-N
-D1DB62E93A784616_6DDAE93026221251_6041_UN,C1(=CC=C(O1)C2=NN=N[NH]2)NCC3=CC(=C(C(OC)=O)O3)C,WSFUSMYEWPJQIL-UHFFFAOYSA-N
-D2411C54377FFDE2_0D4FC8E8F606A16C_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=N2)F)C#N)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,VPSFNONYENRCNE-UHFFFAOYSA-N
-D2D7FCE5ADF6E623_E1C65CBB2C2AB3E5_6029_UN,C1CN(CCN1[S](C2=CN=CC3=C2C=CC(=C3)C(OC)=O)(=O)=O)C4=NN=CC=N4,DPBXSMAYKWTHIW-UHFFFAOYSA-N
-D32636AB6A811466_4FD303F0CF22D9DA_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,WPBWVLHUTQWVFO-UHFFFAOYSA-N
-D33232E2A932782B_09208B4C39029A9A_6029_UN,FC1CN(CCCC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,XWXOJUXWKTVHIG-UHFFFAOYSA-N
-D404ADB99BC03E34_02A65908CF1DC443_6041_UN,OC(=O)C1=C(C=CN=C1F)NCC2=CC(=NC=C2)N3CCN(CC)CC3,JMTCCEQNCRIBHV-UHFFFAOYSA-N
-D404ADB99BC03E34_B74983803DEDEB85_6041_UN,OC(=O)C1=C(C=CN=C1F)NCC2=CC(=NC=C2)N3CCN(CC)CC3,JMTCCEQNCRIBHV-UHFFFAOYSA-N
-D4D40FFF9A9E5566_5EB8DC4D486B7D81_6041_UN,COC1=CC(=C(N=C1)C)N[C@@H]3C2=CC=CC(=C2OCC3)C,HLRLYDKXDXYDQQ-HNNXBMFYSA-N
-D61FA2E0A91D74BC_790D47BA8BF7D417_6031_UN,O(C(=O)C1=CC(=CC=C1)NC2=NN=N[NH]2)CC3=CC=C(C=C3)B(O)O,YPGDIMXDGVPCAJ-UHFFFAOYSA-N
-D6A9F9B2D68B5D8A_0CF0C673B1A6EC8B_6041_DP,CN(C1CNC1)C(=O)C2=CN=C(N=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,XMAZXVOWAOCPDO-OAHLLOKOSA-N
-D6E60D063B8FD6E8_0A4AF876F5983028_6029_UN,FC1(CCN(CC1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CC=CC=C4,VIHZFEWNXDHALG-UHFFFAOYSA-N
-D7C528D7A03EAB87_E8EA50174077E39C_6031_UN,O(C(=O)C1=NN=CS1)CC3=CC=C(N2CCN(C)CC2)C=C3,UDRSGCIYNPBHOR-UHFFFAOYSA-N
-D89F3C808334D75A_8EA0771896610139_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]2CCOC3=C2C=C(OC)C=C3,QJBSCAJZCJKSEB-LBPRGKRZSA-N
-D954F5749E3C5779_53B17653A6DE9EFE_6038_UN,N(C1=CC2=C(C=C1)OCCC2=O)C(C3=C(C)N=C(N=C3)C4CC4)=O,IQORDCCIGUPXEF-UHFFFAOYSA-N
-DB3B2BD94C7FBD28_2D1E2019FA7E6373_6029_UN,C1C(CN1[S](C2=C(C=CC=C2)N3CCOC3=O)(=O)=O)C4=NC(=NC=C4)C5=NC=CC=N5,UXXSQPHAFRRBOA-UHFFFAOYSA-N
-DEC1E288080B63DC_2847E176D1781A89_6029_UN,N(C1=CN=C(C=C1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,GFUBTVVZBODPQF-UHFFFAOYSA-N
-DF5A681EC1EACEA5_E268336AD4B06A83_7019_UN,C(C1=CC(=CC=C1)[S](=O)(=O)Cl)=CC2=C(C=C(F)C=C2)C3CC3,BOWXVEMIYBUWHO-UHFFFAOYSA-N
-E104988109B43BE1_0A58F84D32A910AA_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4,CFRQBWASQYXRBA-UHFFFAOYSA-N
-E1B132780E5A6E3C_7A45D5782F0F6076_6035_UN,CC1=NC(=N[NH]1)[C@H](N)COC2=C(C(OC)=O)C=CN=C2,XUZUUAZNXAVXJV-SECBINFHSA-N
-E500FB7F52DB863B_E8AFF9AE3389DAFD_6041_UN,CC1=NC(=CC(=N1)NC2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,OQLJEJBHTSVDOB-UHFFFAOYSA-N
-E5970E8883987579_3FED44BEC59906EC_6029_UN,C1CN(CCN1[S](C2=C(O)C=CC=C2F)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,YPVHBGRDSVKOSU-UHFFFAOYSA-N
-E5EF0BCEDEFD61F6_97419D103F665A49_6041_UN,CC(=O)C1=C(C=N[NH]1)NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3,VOENWIPLEZNNIO-UHFFFAOYSA-N
-E9F221864906AFA8_C7B56D011C512ABB_6028_UN,C1C=C(CN1[S](C2=N[N](C(=N2)C3CC3)C4=CC=CC=C4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,SNRADUBXLRBSCU-UHFFFAOYSA-N
-EAE73608342B1CA8_5BF0EFDC0ECD6438_6034_UN,O=C1N(C=NC2=C1C=N[N]2C3CC3)CC4=C(N(C)C)C=C(C=C4)Br,XFVXJCWYPQNWRD-UHFFFAOYSA-N
-ED1F7351B06C1DAC_488C2034710A5837_6029_UN,ClC1=C(C=CC=C1)C(N2CCN(CC2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O)C5=CC=CC=C5,SBKVUDMZLMAITN-QSAPEBAKSA-N
-EDD8A24CBC9B6322_6BB0B2D205676421_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=N[NH]C(=C3)C4CCCN4C)=O,NBTPQJNYKHWKLL-UHFFFAOYSA-N
-EEC5BA21C41CD7BC_25799A25DF2BB295_6035_UN,CC(C)C1=CC=C(C=C1)N3C(=NC2=C(C=CC=C2)C3=O)OC4=C[N](N=N4)C5=CC=CC=C5,WFPZAKCVOQJQPW-UHFFFAOYSA-N
-EFD5DBBE35BF4967_747BEA2F18C3FB61_6041_UN,C1(=NC(=NC=C1)N2CCCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,JYTDOVVTESICCA-UHFFFAOYSA-N
-F04CBDC14EA28B78_E4FCD02D2E710D3B_6041_UN,C2(=C1[NH]C3=C(C1=CC=N2)CCCC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,MFJAXGPMSYPHAG-UHFFFAOYSA-N
-F12BF8318B99A5E7_A36C43080F5BDFFD_6041_UN,C1(=NC(=NC=C1)C2CCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,SECBMAMTVCXFHT-UHFFFAOYSA-N
-F1315180F6D97253_C4B7D13DBF00B38C_6038_UN,CC3=C(OC(C1=CC=CC(=N1)N2CCN(C)C(C2)=O)=O)C(=O)C=CN3C,KQAYJXSOALZFRW-UHFFFAOYSA-N
-F29A477BAB445794_F8B7562AC22E7B57_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)CC2=CC=CC=C2)C=C3,XUXOYVNZWOAJNI-UHFFFAOYSA-N
-F357B8E0655518C3_8D5C49FB1EC568EC_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CC=C3)C4,NCJZYGRLCDNEFU-UHFFFAOYSA-N
-F35EAF93CD2821D6_B2058A23A5C909C9_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC4C3=C(C(=C(C)C=C3)C)OC4,KDNXPZUDBZKCIJ-UHFFFAOYSA-N
-F3A7626B0592C66D_38874911314E567F_6038_UN,C[N]1C=NN=C1C2=CC(=CN=C2)OC(C3=CC=CC(=N3)N4CCN(C)C(C4)=O)=O,RKOCAGFIASPUKI-UHFFFAOYSA-N
-F5C047E2146E9A51_2CBCAB4A3DD9C09F_6029_UN,C(N4CCC1=C(C3=C([N]1[S](C2=C(N=C(C)N=C2)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,DGLPPZOLDAIRKB-UHFFFAOYSA-N
-F5EA526C995CB898_65567E639E9E70F4_6006_UN,C2(=C1OCCC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,DNKQGQLUUVGAMU-UHFFFAOYSA-N
-F5F1E20AA9A7AE35_8A42FDBCFCF7C9DF_6029_UN,N(C1=CC(=CN=C1)C2=CC=CC=C2)[S](C3=NC=C(C=C3)C4CCC4)(=O)=O,YNAYLBXSGGWJRH-UHFFFAOYSA-N
-F60E8A155B954667_198101979E5DB7D1_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N(C(C)C3=CC4=C(C=C3)OCCCO4)C5CC5,YUMFZRNULVEAJS-UHFFFAOYSA-N
-F64253C7BE19B7CC_13F720F38351FC7F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCC4,TXLWOHSGZMLTNO-UHFFFAOYSA-N
-F66F76388FC8A6DF_EE9A96A89A4EFCE2_7005_UN,N3=C(C1=CC=C(C=C1)[S](=O)(=O)C2CCCC2)[NH]C4=CC(=CC=C34)C5=CC=NC=C5,FMXKUOGFHMCROQ-UHFFFAOYSA-N
-F83390B71CFD4E43_8B293CF4D59A6B78_6029_UN,FC1(CN(CCC1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O)C4=CC=CC=C4,GENAISAXQKFXON-UHFFFAOYSA-N
-F9ADBBEB8C6311B4_A87034716D0EB328_7019_UN,FC1=CC=C(C=C1)N3C(=NC2=C(C=CC=C2)C3=O)C=CC4=C([N](C)N=C4)C5CC5,HNLRHMYMUIDXFV-UHFFFAOYSA-N
-FA8126AEA50596FF_F54CC18F4C90361C_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NC3=C(C)C=C(C=C3)C4CC4,QPPNIQWRPBYWEY-UHFFFAOYSA-N
-FAF7F9F63A97CF9D_AAEF35D31DE5AFB8_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=C(N2CCN(C)CC2)N=CC=C3,SUFDOFGKHNOMRL-UHFFFAOYSA-N
-FB721AC156D83775_8EDF3D8D4EFBB947_6029_UN,OC1(CCN(CC1)[S](C2=CC=CC(=C2)N3CC(O)C3)(=O)=O)C4=CC=CC=C4,URVFDAGVCGLZMJ-UHFFFAOYSA-N
-FB7EA138474D1CDB_2DDB19ABDD10112B_6026_UN,[S](=O)(=O)(C1=NC=CC=C1)NCC3(C2=C(C)C=CC=C2)CCCCC3,UBGRHGPRXDTOGL-UHFFFAOYSA-N
-FC5D8CF291690E92_A85DB47725CA4CD0_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,KJUVZDJXCBEFAV-UHFFFAOYSA-N
-FC688E2CBA0912C0_4D348A4950B9EF61_6041_UN,CC2=NC=C1C=CC(=CC1=C2)NC3C(C)COC4=C3C=CC=C4,AUHAWKKAAPZXFA-UHFFFAOYSA-N
-FCEDA9B5700B5D98_F6585C9FCDF20C6F_6029_UN,CC1=CC(=CC=C1)CC2CN(C2)[S](C4=CC3=C(OCC[C@@H]3O)C=C4)(=O)=O,HYJGUWUGLXWJCH-IBGZPJMESA-N
-FD1716044CB97CD7_03CD82CB112B5838_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)O,OHPYDQWDAPPLKL-UHFFFAOYSA-N
-FD38C6D0AE6AE19F_138D2AEA31F3F169_6026_UN,CC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,KRAUZOPHICGARD-UHFFFAOYSA-N
-FE2D86D0A1CA1BBA_A416017B1B7A1489_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC=C(C[S](C)(=O)=O)C=C2)=O)C=C3,XBFFYMCGOPJJLT-UHFFFAOYSA-N
-FF61F47D3AE5AD8A_7021E02DE56DDE8C_7019_UN,ClC1=CC3=C(C=C1)[N](CC=CC2=C(C=CC(=C2)[N](=O)=O)OC(F)F)C=C3,UYGWXWDWLVARGZ-UHFFFAOYSA-N
-FFEC3359CAB5199D_9408F447E4C28918_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,JUEFACDDARBVJR-UKRRQHHQSA-N
-rxn:2:100795:151416,C[C@H](NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(C2CCCCC2)cc1,OFMLCRJFWGKPSH-QOVRIPIQSA-N
-rxn:2:112680:148822,CN1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C(Cc2ccccn2)C1,PCQCJUCUFXKYNO-UHFFFAOYSA-N
-rxn:2:134688:148822,Cc1cccc(OC2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CC2)c1,WBXIUWDZGYFPHX-UHFFFAOYSA-N
-rxn:2:135512:151416,Cc1cc(C2CCCCC2)cc(C)c1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,WIALITYTYLCNCF-UHFFFAOYSA-N
-rxn:2:135982:148822,Cc1ccc(OC2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CC2)cc1,HHPHFKWFBDGSBG-UHFFFAOYSA-N
-rxn:2:77257:107733,CC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)Oc1ccc(C2CCC(=O)CC2)cc1,MDCGHPWQVRCDNT-UHFFFAOYSA-N
-rxn:2:85575:78354,CN1CCN(c2cc(N3CCC(NCc4ccc(N5CCS(=O)(=O)CC5)cc4)C3)ncn2)CC1,TVMNROPXIJYYLA-UHFFFAOYSA-N
-rxn:2:85908:153335,CCS(=O)(=O)c1ccc(C(NC(c2ccccn2)C2CCC(C)CC2)C2CCCC2)cc1,FNCNHJOFOPHOIA-UHFFFAOYSA-N
-rxn:2:91331:144129,CC1CCC(N2CCC(CNC(c3ccccc3)c3cccc(S(C)(=O)=O)c3)CC2)CC1,JVRQMVULHIFWIJ-UHFFFAOYSA-N
-00CDFA94E0F154AE_DC5668F3FC06F832_7022_DP,C1(=CC=C(C=C1)OC(F)F)N2N=C(N(C)C2=O)C3CNC3,MBUVQYBOJALZAM-UHFFFAOYSA-N
-01CA183644320C76_B5AA5CAF3C60C3C1_6026_UN,CC1=C(C2=C(C=C1)N=CC=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,YPGXMVOFCOUPBV-UHFFFAOYSA-N
-02C2E6B8F1545A62_799F2AD1ADDE7FA3_6026_UN,CC2=C1C(=CC=CC1=CN=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,CVHYVLBNZJUQEX-UHFFFAOYSA-N
-02E924E801D78427_D5E35A77FCD58E13_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C)(C)C3=CC=NC=C3,ITLHCWYNMSEZNO-UHFFFAOYSA-N
-044CCD202216BD76_88C74B2471254E8A_6029_UN,C1N(CCC(C1)C2=NC=CC=N2)[S](C3=C(Cl)C=C(N=C3)C4CC4)(=O)=O,FAIBDXHBQHWMNZ-UHFFFAOYSA-N
-05704CD2DA123E8D_86D89FFEDE764AD2_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=NC(=CS3)C)CC4,QIPKMOIOQNKNMT-UHFFFAOYSA-N
-077AE35CA61CCB33_6A20B97B2E81F219_6029_UN,CC3=CCC(N[S](C2=CC=C(C1=C(F)C=CC=C1)C=C2)(=O)=O)CC3,QXFXNWXRXXYDST-UHFFFAOYSA-N
-081F784742B8EC84_8DB5482898EBDF76_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(F)C=CC4=C3CCC4)(=O)=O,HEGLOFXBRDTESC-UHFFFAOYSA-N
-084F2EEB5D95F043_824F7B53F9A2467D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CC2)C3=CC=C(C=C3)F,WGIOBORPLOECHC-UHFFFAOYSA-N
-0A00FEC495369E28_A189261176CC22FB_6038_UN,O(CCC1=CC2=C(C=C1)C=CC=N2)C(=O)C3=C(C=CC(=C3)[N](=O)=O)SC4CCCCC4,ZNYLXVQINWIYCY-UHFFFAOYSA-N
-0D28E8AC07649621_5E097ED689F1A341_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NCC4=NN(C)C(C4)=O,DESMLPCVSSADJS-UHFFFAOYSA-N
-0DDC2D1E07C0B23A_2A50CC9DDD75E858_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(F)C4=C(C=C3)CCC4)(=O)=O,NSHYHYPHGBUAQB-UHFFFAOYSA-N
-0EA66D3332EF578B_7B152D4EC3E823C7_6034_UN,C1=CN(C(=N1)C3=C2N=CC=CC2=CC=C3)CC4([S](C)(=O)=O)CC4,WFQPOEWCUHQMAK-UHFFFAOYSA-N
-0FAAAA7482E05EED_55C686B2AE8D6CAC_6029_UN,CC3=CC(N[S](C1=C(F)C=CC=C1C2CC2)(=O)=O)CCC3,VQTKWIHETPRVRO-UHFFFAOYSA-N
-107870B1DFF0BE86_76611751997BC586_6029_UN,CC(C)CC1(CCN(CC1)[S](C2=C(CBr)C=CC=C2)(=O)=O)C,BYWYVWKCGMDQPB-UHFFFAOYSA-N
-10F81D163F5EF00F_F16CA4FAD255281A_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4COC=CN4)=O,XLUBKXCNIHNTND-UHFFFAOYSA-N
-130DEECF5CA15722_33B65B3939A7C8A4_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CCC(C2=C(C=CC(=C2)C)C)CC3,MMVKVUQDRFIQAN-UHFFFAOYSA-N
-13582DC76A470557_3D6D9CF50E66331E_6035_UN,COC1=C(C(=CC(=C1)C)OC)COC2=C(C=CC=C2)C(=O)CC3=NN=N[NH]3,XUJLMGPFWHRMIU-UHFFFAOYSA-N
-13C68647E3273374_EF5E363F4C69054D_6041_UN,CC1CC(=O)C2=C1C=CC(=C2)NC3=C(C)C=C(C=C3)C4CC4,GWFXGGZDFGHVEN-UHFFFAOYSA-N
-13EF0D2E34210520_A7FBFB88D8A4CCE3_6038_UN,CC1=C(C(=CC=C1)C(=O)N2CCSCC2)OC(=O)C3=CC=C(C=C3)N4NN=NC4=O,NBKZLICZQAQWFC-UHFFFAOYSA-N
-142F151F00D448AC_A9C3523E1F987CE6_6038_DP,CC3CC(NC(C2(C1=C(OC)C=CC=C1)CC2)=O)CN3,GBCDDRZFGXZLIE-UHFFFAOYSA-N
-14844EDE9B05FAE3_2D48B30689EE171E_6035_UN,CCC1=CC=C(C=C1)N3CCC(OC2=NC=C(C=C2)[S](=O)(=O)F)C3,ZHEZNQMQCKZCIJ-UHFFFAOYSA-N
-14CD676C035C5F15_5A5C03AEC85E0EF5_7019_DP,C(C(=O)NC1CCOC2=C1C=CC=C2)=C[C@@H]3C[C@@H](OC)CN3,BXWJRCJJSXHUAS-HCYNLOQUSA-N
-14EC7A205C101842_9B2C36B14B3AF2FC_6029_UN,N(C(CO)C1=CSC=N1)[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O,GVAUZXPOSDQNES-UHFFFAOYSA-N
-150429C7022BF9DC_4F65A06979CD9C34_6038_UN,C[N]1N=CN=C1C2=CC=C(C=C2)OC([C@@H]3CN(C)CC3)=O,VXEDVRMVZSGZNH-LBPRGKRZSA-N
-16D416E17DBDECFA_5FF0598C1C2F0E5A_6038_DP,CC3CC(NC(C2(C1=CC=C(OC)C=C1)CC2)=O)CN3,ANEHNJNAOYUWHS-UHFFFAOYSA-N
-1798E6428E9048A0_A4CA704C04079686_6026_UN,ClC1=CC=C(C=C1)C2=N[NH]C=C2[S](=O)(=O)NOC3CCN(C)CC3,BXGFSGUQSHRQIC-UHFFFAOYSA-N
-19C1F2563CDE8992_D44EFE1B93996BAF_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCC(N)CC4,DEDROFDHWDIVNJ-UHFFFAOYSA-N
-1A232C45FE4DB615_3F3C9E78EDABF260_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,DGSCHCDIHWHQII-UHFFFAOYSA-N
-1A40D62C0AD863EB_2F7E614BA0AF2E84_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,BYLIVABUROZISW-UHFFFAOYSA-N
-1AA01491436678D7_A0C87E80BA96AB90_6028_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=CC=C(OC)C=C3)(=O)=O,LBXKGQNVGLAVTK-UHFFFAOYSA-N
-1B8DA86DB6C68601_A944D337EFD294FE_6009_UN,C1(=CCOCC1)C5C(N(C4=CC=C(C3=NC2=C(C=C(C)C=C2)S3)C=C4)C(C5)=O)=O,UFRWIOZKTVGLAL-UHFFFAOYSA-N
-1C05B75844240DC7_E15A5716AE7859C5_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,NQMMVMFVPQHCRV-UHFFFAOYSA-N
-1C2645595545B333_FA447391565D2179_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,ZLZAKSBMHWFNDQ-UHFFFAOYSA-N
-1D1220D70056995D_10D7F45DD0885D10_6028_UN,N#CC1=CC=C(C=C1)C2=NN(C=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,AIAXYNFFPIWASG-UHFFFAOYSA-N
-1D38FCF45F229C2A_B8982A9541618037_6039_UN,O(C2=C1C(=CC=C(C1=NC=C2)F)F)CCC(N4CCN(C3=CC=C(OC)C=C3)CC4)=O,IMWDHFOEYCSZMM-UHFFFAOYSA-N
-1F28D87D344026A0_8063C0B5BBF3E1B6_7019_UN,C(C(=O)NC1=C(C=CC=C1)SCC2=CC=CC=C2)=CC3=CN=C(O)C=C3,WVDLYGPPCJWOJH-UHFFFAOYSA-N
-1FFB033152F7C110_06A5BE8574769AC7_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3=C(OC)C=CC(=C3)[S](=O)(=O)N4CCCCCC4,NUDYCEIIHVGYCT-UHFFFAOYSA-N
-22C9857E9C86F923_78736CD1D72426BF_7019_DP,C(C(=O)NC1=CC2=C(C=C1)OCC(=O)N2)=C[C@@H]3C[C@@H](OC)CN3,MIHOUKVEMXLSNI-ZYHUDNBSSA-N
-23DDEA4ACB0FEA02_D794CD5C00CB5CFA_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,ZIVSMGLDRZFBMD-UHFFFAOYSA-N
-2539CDBCDAD3C52E_5A96174201CD58A9_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=C(C)C=C(C=C3S)F,VLPXCSUYAMJCHU-UHFFFAOYSA-N
-28F33BAD35C09AB3_4A83073919EA08D2_6026_UN,CC2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,ARPXNXBOWFFKPP-UHFFFAOYSA-N
-2AAA1B8D2BC4D0C4_C7B98ADFB196CB9E_6038_DP,O(C1=CC(=CC=C1)[S](=O)(=O)F)C(C2=CC(=NC=C2)N3CCNCC3)=O,HCTBNVRZRUISHJ-UHFFFAOYSA-N
-2CE14F80454055F9_A6650AE1A4B75EBF_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,AAXITQRIOSJDBA-UHFFFAOYSA-N
-30159238FACEADE6_35B009822CE0010C_6041_UN,C1(=C(SN=N1)C2=CC=CC=C2)N[C@H]3C[C@H](C(OC)=O)CC=C3,QTIPWBWRKHUESQ-CHWSQXEVSA-N
-31B577D6488919B8_4727E0C95BF71081_6038_DP,CC2CC(NC(C=CC1=C(C=C(OC)C=C1)C)=O)CN2,PBNJOQCBMLREQY-UHFFFAOYSA-N
-31EF26373DE69699_8779D10E39FAE186_6028_UN,CC1CCN(CC1)C4CCC(N[S](C2=CC=C(C=C2)C3=CC=CC=C3)(=O)=O)CC4,AGVAMOAHKKXDQF-UHFFFAOYSA-N
-3213F18EAF069179_062358E2F2910C4D_6029_UN,CCC(N[S](C1=CC=C(CCF)C=C1)(=O)=O)C2CCC2,GCEDPWOLBMIKGS-UHFFFAOYSA-N
-325413F9AEAF5D4C_6932A0B60FC9EDA4_6038_UN,O(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(CC4=CC=C[N]4C)=O,LYOHCZXZCYEQHL-UHFFFAOYSA-N
-32B0F1816E718343_A730555258E5FEF5_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)NC4CCN(C3=NC=C(C)C=C3)CC4,DTVSHSHTEMQRMV-UHFFFAOYSA-N
-33408A0BA39729A2_A0D53D5062F504A5_6038_UN,N(C1=C[NH]N=C1C2=NC=CC=C2)C([C@]34C[C@@H](OC)[C@H]3C4)=O,KNNWHWRMQMANLY-DDHOLCJHSA-N
-355591F91F56F383_F3BAF2F827924ECD_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C)(C)C3=CN=CC=C3,XOYLEDLNXAKEMN-UHFFFAOYSA-N
-35824143CC6BAB63_09C1E1259E34BF53_6026_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCCN(C2=NC=C(F)C=C2)CC3)C,RWPOLQFCTOHUIX-UHFFFAOYSA-N
-35C434E5C1E649F9_142F739CB16F795F_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=NC=C[N]3C)CC4,VNPUPGOAMWFFED-UHFFFAOYSA-N
-3621A09BEA43B427_9238140767C9499C_6026_UN,ClC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,PTTAMCCCNGBIDI-UHFFFAOYSA-N
-367B83B7A0BD8CA1_92690A8C17219284_7017_UN,N4([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CCC(SC3=NC=C(Br)C=C3)CC4,NEJVAIQFYFDBRG-UHFFFAOYSA-N
-377EA470EFBCED52_244A15BA1DBFEEC0_6038_UN,N(C1=C(N=CC=C1)C2CC2)C([C@@H]3C[C@H]3C4=C(CC)C=CC=C4)=O,TWJKVSJALYICET-DLBZAZTESA-N
-37813A93340C5709_A67AF3167FA6C640_6031_DP,N1CCC=C(CC1)C(=O)OCC3=CC=C([S](C2=CC=C(C)C=C2)(=O)=O)C=C3,QYKNSIFRYVJYPW-UHFFFAOYSA-N
-37AE379A3C863601_A345013168166B6B_6041_DP,CC1(C)C(CC1=O)C2=CC=C(C=C2)NC4=C(N3CCNCC3=O)C=CC=C4,VAQUYZLNYRTNQH-UHFFFAOYSA-N
-39FBA9B9C01FC11B_3BD6B4366B073911_6026_UN,CC1=CC=C(C=C1)[S](=O)(=O)NC(C2=CC=C(OC)C=C2)C3CCC3,GRYZWNHGQZWRLV-UHFFFAOYSA-N
-3A2847914946B3BC_4F50513CFD116772_6041_UN,C1(=NC(=NS1)C2=CC=CC=C2)N[C@H]3C[C@H](C(OC)=O)CC=C3,WKCCSLIZBQSNBV-CHWSQXEVSA-N
-3A2847914946B3BC_AF0AEACA1AC867D3_6041_UN,C1(=NC(=NS1)C2=CC=CC=C2)N[C@H]3C[C@H](C(OC)=O)CC=C3,WKCCSLIZBQSNBV-CHWSQXEVSA-N
-3A72BA3F0B710D87_A3068A7E26E5D409_6029_UN,OC1CCN(CC1)[S](C2=NC(=CC=C2)[N]3C=NC4=C3C=CC=C4)(=O)=O,BQRPIPUKBNYMLB-UHFFFAOYSA-N
-3AEF293296F2E60B_4E322ED380E1EA60_6026_UN,CC1=C2C(=CC=N1)C(=CC=C2)[S](=O)(=O)N4CCC(CC3=CC(=C(C)C=C3)C)CC4,HBGCJJDJHFKREL-UHFFFAOYSA-N
-3B2B53157412CBDF_266D06F500692A9E_6038_UN,CN3CCN(CCC1=CC=C(C=C1)NC(=O)C2=N[NH]C=C2F)CC3,OVGCYLNHVYQPHH-UHFFFAOYSA-N
-3B67AB03E3F67936_6817CE2BA627AF5D_6028_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ZMALBAOTHFYBAY-UHFFFAOYSA-N
-3BFB6C11978318BB_B89C0B7E2E4F2C00_6029_UN,C1=CC(=N[N]1[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=NC=CC=C4,QSXFSGHKSOHPEF-UHFFFAOYSA-N
-3C71D9B2C6AB7D4A_BCDB2605F4048CF5_6038_DP,N1CC3(C1)CCC(NC(C=CC2=CC=C(CC)C=C2)=O)C3,WJZPDUXCDYNSDU-UHFFFAOYSA-N
-3D914C8503AA6BAE_42805973397D6769_6026_UN,CC(C)OC1=CC(=CN=C1)[S](=O)(=O)N3CCN(C2=CC(=C(CC)C=C2)Cl)CC3,AJFQKQSPWCUBAV-UHFFFAOYSA-N
-3E673881BAB31934_85A7B8EAEFB4463F_6038_DP,N3C[C@H](NC(C=CC2=C(OC)C=C1CC(OC1=C2)C)=O)CO3,UALWAHQOUVDHGV-HQVZTVAUSA-N
-3E944C21477F3924_EBEB004D63E9B430_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N4CCN(C2=CC=NC3=C2C=CC(=C3)Cl)CC4)C#N,PETFFASMPOZADD-UHFFFAOYSA-N
-3EFC77C1B02C2FBF_CB3FAB935EA0D2ED_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC3=C2C=CC=NC2=C(C=C3)N4CCCCC4,KNMCDDVCOUDKIJ-UHFFFAOYSA-N
-3FA400BE99FAFD26_A3D8D957073993D0_6026_UN,CC1=CC=C(C=C1)[S](=O)(=O)NC(C2=CC=C(OC)C=C2)C3CC3,ILOLDXVZXXIODM-UHFFFAOYSA-N
-40ABC0D15B047F17_361CECDCCFF89BF5_6041_DP,FC1=C(C(=CC=C1)NC2=C(CO)C=CC=C2)C(=O)CC3CC3,PZTCJSVHIAPVSZ-UHFFFAOYSA-N
-40FC4298446EA907_99E30213FA41544B_6029_UN,C[C@H]1C3=C(C[C@H]1N[S](C2=CC=C(CC(F)F)C=C2)(=O)=O)C=CC=C3,PQBNYSRNFDPWJR-YVEFUNNKSA-N
-414362D939468048_38C7812385A2E19C_6029_UN,C1N(CCC(C1)C2=NC=CC=N2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,GSQMXAPVINLWIA-UHFFFAOYSA-N
-42386BEA88292DC3_EC961C588691CC48_6031_UN,CC1=CC=C(C=C1)[N]2N=NC(=C2C3CC3)C(=O)OC4=COC=C(Br)C4=O,WIBWTQUAABXNTD-UHFFFAOYSA-N
-42E71CE89564DF48_482A9989343F9744_6041_UN,FC1=C(C(=CC=C1)NC2=C(C=CC(=C2)C)[S](=O)(=O)C)C3CC3,YQPCMSJIRPJOAR-UHFFFAOYSA-N
-441B11802A7938AE_3E3FA245A8966FB7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4[C@H](C3=C(C)C=CC=C3)C4,WQAPVXNTZPUVAL-MAUKXSAKSA-N
-4447C842DC830C24_7CF428EFBC41B42A_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(CC3CCCC3)CC4=CC=NC=C4,ATOFTWKSKURSTN-UHFFFAOYSA-N
-4574A82411F37A8D_0C058250060452FB_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=C(C)C=C(C=C3)Cl)CC4,XSNZNTXVPXLOJJ-UHFFFAOYSA-N
-45F3CFB73231332D_5D8AFCC7A4E8FC01_6038_DP,N(C1=CC2=C(C=C1)C(=O)NC2=O)C(C3(OC)CNC3)=O,NLVBJUNHRYLQCA-UHFFFAOYSA-N
-4727DC6587A51BBC_13D9E726BF6FF7F2_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)CC4CCC3=C(C=CC=C3)C4,AGBDWFKXTFWMPG-UHFFFAOYSA-N
-483BB65597653442_506F8DCA448FDC83_6038_UN,O(C1=CC(=CC=C1)[N]2C=NN=C2)C(C=C3CN(C)CC3)=O,NMCQAJCPOUWICM-UHFFFAOYSA-N
-49E6119DCAD4B343_2370C3A241A0CD80_6003_UN,C[C@@H](OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3CC3,MXOLZHHPFFLDBI-SNVBAGLBSA-N
-4D61D4063765C7C7_319A5CACBAAFD0C1_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,MOOFPAAPDXGOPJ-UHFFFAOYSA-N
-4DFE54F405BD98AC_AFF5297BE72AA44A_6041_UN,COC(=O)C5=CC1=C(C=CC(=N1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)[N]5C,VKPXHZHJGGGXJW-UHFFFAOYSA-N
-4E05C05A05F73090_D2163E85610E7D0D_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,TVQRUVWHMULBMH-UHFFFAOYSA-N
-4E3F988BACBC9885_7FCAD554A71EEFF7_6035_UN,CC(OC1=C(C=C(C=C1)Br)C2=N[NH]N=N2)[C@@H]3CCCN3C,MQBKBBPKUALCQM-ACGXKRRESA-N
-4E93BC2245273C1F_0ECCB389322F5186_6041_UN,COC(=O)C1=C(C=CC(=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)[N]5N=CN=C5,HADUTQZXCRYBRH-UHFFFAOYSA-N
-4EF3AB6E1FA55B66_7B2646F5C5D6D824_6003_UN,CC3(COC1=CC=C([S](C(C)C)(=O)=O)C=C1)CC2CC2C3,PDNLVRUBEKGVLW-UHFFFAOYSA-N
-50237C3A8C42405A_52724AF52855DC15_6029_UN,N(C1(CCC1)C2=NC=CC=N2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,APTAQYFJXQRUHM-UHFFFAOYSA-N
-5048BE56AD562038_9E331EEFE1603A7C_6028_UN,N(CC2(CC1=CC=CC=C1)CCCC=C2)[S](C3=CN=C(C)C=C3)(=O)=O,OUTMTVLIQPKXRT-UHFFFAOYSA-N
-5051BE51753EFDCA_E14158D6046BAA41_6026_UN,ClC1=N[NH]C=C1[S](=O)(=O)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,PLCOXYQNEJLJLI-UHFFFAOYSA-N
-524D73F973FA226F_CEA612B345152E36_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)COC4CNC4,LEGPLHSOCVMMRF-UHFFFAOYSA-N
-5289E319C8988791_829134C51B4B678F_6038_UN,N(C1=CC(=CN=C1)C2=CC3=C(N=C2)[NH]C=C3)C([C@]45C[C@@H](OC)[C@H]4C5)=O,UEQKVRFKTQOUJK-GPMSIDNRSA-N
-52AD31630E35D32B_E491B58972EE44B4_6039_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)CC(N4CCN(C3=C(C=C(C(C)=O)C=C3)F)CC4)=O,BOKUYCNJNWGEPI-UHFFFAOYSA-N
-53E4468DC8AF336C_779769C6CD39BDF0_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(CC3=CC(=C(C)C=C3)C)CC4,XMJAFWNBJAEQTN-UHFFFAOYSA-N
-552C7FD1A5CF133D_6436B90C9C8B89B9_6038_DP,N3C[C@@H](NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)CO3,ICSXKTZAKFDPLD-VUUHIHSGSA-N
-56183EEDD41E6DB9_5650ED991B64CA11_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NC3(C2=CC=C(OC)C=C2)CCCCC3,DULXZARWCYWOLF-UHFFFAOYSA-N
-57220E0375CA5AE9_BA3084018DFBD296_7019_DP,C(C2=CC1=C(C=CC=C1)C(=O)N2)=C[C@@H]3C[C@@H](OC)CN3,SGKBJUOVEBSSCC-TZMCWYRMSA-N
-5780D30B871C67C6_552CE8811E91C8EC_6028_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=C(OC)C=CC=C2)(=O)=O)CC3,LGIYLHDTMDWECE-UHFFFAOYSA-N
-57AECEB58DD0D426_AEEF637874EF7E5E_6035_UN,CCC1=CC=C(C=C1)N3CCC(OC2=NC=CC(=C2)[S](=O)(=O)F)C3,OSPBSWRLINIORZ-UHFFFAOYSA-N
-57FB9F6AA62BEE33_11AC32C4D86816DA_6041_UN,O=[N](=O)C1=C(N=CC=C1)NC3=C(C=C(N2CCCCC2C)C=C3)C,DWWUZHAMVVLHJO-UHFFFAOYSA-N
-57FB9F6AA62BEE33_60679624296D3453_6041_UN,O=[N](=O)C1=C(N=CC=C1)NC3=C(C=C(N2CCCCC2C)C=C3)C,DWWUZHAMVVLHJO-UHFFFAOYSA-N
-5854AED3C19C49E9_7969872EBCD410E1_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC4=NC3=C(O)C=CC=C3C=C4,TZWGYHAEGHNEPB-UHFFFAOYSA-N
-59A7EFC37B3D018A_1DECEEC48F95B349_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3)CCCCC)=O,ZCEIOPWRGPYEKP-UHFFFAOYSA-N
-59F2FAA41DC12DAA_6EDD76E70A2B39A4_6026_UN,CCCC1=CC=C(C=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,BQKFCGQBRAHVMQ-UHFFFAOYSA-N
-5A4B6DBD9052BC84_E0E665885C29F362_6039_UN,O(C1=CC=C(C=C1)[S](=O)(=O)N2CCCCC2)CC4=NC3=C(C=CC(=C3)C)S4,NJAPQMGHJPQWCG-UHFFFAOYSA-N
-5BE62E5F641047C3_7D7BA44791C2E85D_6041_DP,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3(C(OC)=O)CNC3,HOVYVANLDDULED-UHFFFAOYSA-N
-5BFF085E3DA1FA94_BA34F96A5A0AAD94_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NCC4CCN([S](C)(=O)=O)CC4,NRNWOABOENGXPA-UHFFFAOYSA-N
-5DBA2CBE5E0CCD38_B14346E21DCD0791_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=C(C=CC=C2)C3CCC3)[NH]4,BRPMURMWSKVILZ-UHFFFAOYSA-N
-5ED1553542313106_53045E175351D241_6026_UN,CCCC1=CC(=CC=C1)[S](=O)(=O)N4CCC(C3=NC2=C(C=CC(=C2)C)S3)CC4,XPEQKTBWXMDPFT-UHFFFAOYSA-N
-5ED38CE4257B5F07_EEFA0E05C828CE35_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C(N(CC)C)=O,NOUPTEGNSZMLHW-UHFFFAOYSA-N
-5F5A2CB0B75F3976_1B005ECB880DEF6C_6026_UN,CC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(OC3=CC=CC(=N3)C)CC4,YOWHUVDCQDXUNB-UHFFFAOYSA-N
-5FEA92A3418EDB53_CA8950AEBAE14CC5_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC3C(CC(C)(CC3)C)C4=CC=CC=C4,HETBOUISCAZKSS-UHFFFAOYSA-N
-5FEBDB720B12ADCF_1C4DC58AC092A7BA_6041_UN,FC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N[C@H]3[C@H](OC)CC3,ZZXDQQUVYHOWLC-DGCLKSJQSA-N
-5FFB024C45F87F6B_E9BA366A36E0CA22_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C(OC)C=C3)CC4)F,XRPUBQLNPCJWHV-UHFFFAOYSA-N
-61D2312E08E55321_A2A501C95374020C_6038_DP,N1CC(=CC1=O)OC(C2=CC=CC(=C2)OCC(N(C)C)=O)=O,HYMMKRXXTQHJIA-UHFFFAOYSA-N
-61DB33DF6316DAB7_BA472302DC74E604_6026_UN,CC2=C1C(=CC=CC1=CN=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,SHTBOHWPKYLSRH-UHFFFAOYSA-N
-66A82198F5FB52AB_938CF6F241448924_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCC(OC)CC4,CWZOFTVUOQIRSG-UHFFFAOYSA-N
-675EBFD7B7FCE15D_B11D56CDA6BE301F_6039_UN,O([C@@H]1C[S](=O)(=O)C[C@H]1N2CCCC2)CC5=CC=C(C4=NC3=C(C=CC(=C3)C)S4)C=C5,BOYZWNUMZIZWFP-NHCUHLMSSA-N
-679050DB0097935E_42730A070B51B63A_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,HMMRNEDFSSYFNN-UHFFFAOYSA-N
-686C50AA2A821697_88C4DA25C5F85672_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4=C(CC)C=CC=C4C,UVDCLWJXCQSFGO-UHFFFAOYSA-N
-6DEB967FED2C8611_AEFDFBDF8A74BEB8_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=CC=C([S](C)(=O)=O)C=C3,PLNXOFPPNFSNLP-UHFFFAOYSA-N
-6F588178D4DC0F83_163B3AB5B54B09BF_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=NC=C3)C4CC4)(=O)=O,JIRDMCRETBVZGG-UHFFFAOYSA-N
-71507E3D9524FF5B_50A251C968B911F3_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CC=C(C3=CC=CC(=C3C)C)CC4,QEYOSIWAEVETJN-UHFFFAOYSA-N
-7264A456FEFCE4BC_1A515F3DB5EC6D7E_6035_UN,CC(OC2=CC=C(C1(CC)NC(=O)NC1=O)C=C2)C3CCC(=O)O3,VXLLYTYRBGYUNE-UHFFFAOYSA-N
-72D17CE1932300CF_822E843ABB1F842A_6029_UN,CCC(N[S](C1=CC=CC(=C1)C2CC(F)(F)C2)(=O)=O)C3CC3,BXCIZCZJGICRIU-UHFFFAOYSA-N
-7304246A97DE5F01_49DEC13B10F7FF82_6038_DP,N(C1=CC2=C(C=C1)C(=O)NC2=O)C(CC3(OC)CNC3)=O,UCSGJCRAXKJMGZ-UHFFFAOYSA-N
-753A0B5D4DE6701F_8B6CCBEAF4CD299C_6041_DP,FC2=C1C(=NC=NC1=CC=C2)NCCC3[S](CCNC3)(=O)=O,NXMQFNNAKRSCOH-UHFFFAOYSA-N
-771CB878DEE8A96B_463337A0A41C4521_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,SAMHKGQOQVHOSQ-KRWDZBQOSA-N
-7A33BF6B7A6FA8FF_C6676FC49CF844CD_6004_UN,C1(=C(N=CC=C1)CC2(CC2)C#N)C3=C(C=CC(=C3)C(C)C)O,FZIMMUCWNAHQLW-UHFFFAOYSA-N
-7AC253E28280A014_2A79F06D4EC26475_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C(OC)C)=O,ATTAKJUFKSBONQ-UHFFFAOYSA-N
-7B3322DB8682F639_C8E5555DEED805BC_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC4=C(OC3=CC=CC(=C3)C)C=CC(=C4)[S](=O)(=O)N5CCCCC5,VLBOWTFJJPPNHL-UHFFFAOYSA-N
-7B42E9BA9FEFE745_DF9CA6A30D011490_6031_UN,O(C(=O)C1=NN=C(Br)S1)CC4=C(N2CCCN(C)CC2)N=C3C=CC=CC3=C4,LOKWWWZZLSIAHO-UHFFFAOYSA-N
-7D4020E077B3DF4F_977C1E921C4A2B28_6029_UN,N(CC2(CC1=CC=CC=C1)CCCC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,YWXQTVNVYUMPHC-UHFFFAOYSA-N
-8076DE8AD244988D_32F152676F74996E_6038_UN,N(C1=CC(=CC=C1)C2=NC(=N[NH]2)C3CC3)C([C@@H](OC)C)=O,LYXBYAPOHQSVKA-VIFPVBQESA-N
-80DE5DFA698FDAB1_E6FD9B0BBA0CC962_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=C(C)C=C(C=C3)S,FRHKZAHQGSSJLF-UHFFFAOYSA-N
-85E113260FAFC0C1_C16142CCEE16CA4B_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC4CN(C3=CC=C(OC)C=C3)C(C4)=O,WNUDZWWJWYBZAJ-UHFFFAOYSA-N
-8674DE7C2EA5B575_25A6D689F6B0D003_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C4=CC=C(S4)C5CC5)(=O)=O,WCKCVOREHLNBRK-UHFFFAOYSA-N
-86CD60D0380293B8_80A06ACC5DA8CDB9_6038_UN,CN2CC(CCNC(CC1=CC=C(CCC)C=C1)=O)CC2=O,OJRFXJGFRZXMFN-UHFFFAOYSA-N
-87D504D5C1A4E1A8_2DAB8985DABE7046_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=CC=C([S](C)(=O)=O)C=C3,FKYIWBXSRWOKJH-UHFFFAOYSA-N
-89541B1E307D6C89_61EDA1F43C946C0C_6041_UN,FC2=C1N=CC(=CC1=CC=C2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,IIUBNAGZICZXIC-UHFFFAOYSA-N
-89B2F66574F3DE23_05694CBA72A89192_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C5=C4CCCC4=C(Cl)C=C5)(=O)=O,DSKCYYRNKKQQRW-UHFFFAOYSA-N
-8C94F0B96C7C5F4B_E390E82E2210A1AE_6041_UN,C1(=NN=C(S1)C2=NC=CC=C2)N[C@H]3C[C@H](C(OC)=O)CC=C3,PCDXUSNXQWCEGZ-GHMZBOCLSA-N
-8D02FA585A74CAC9_5C36C8BFF9C29AB3_6038_UN,CC(C)CC1=C(C=CC=N1)NC(C2=N[NH]C(=C2)CCCCC)=O,LJEVYMINMQMFFV-UHFFFAOYSA-N
-8D2F8BF8C7CC267A_284CDA8AF92A7C70_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,GVENPDKGRLSFOB-UHFFFAOYSA-N
-8DA4118BEF9946DE_8F8AA7B5453D263E_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CN=C(N=C3)C4CCC4)(=O)=O,DOGBVDVMBHIXDF-UHFFFAOYSA-N
-8DBBC967D52213C9_65BBCF70E1867ECA_6006_UN,C2(=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)S2)C3=CC(=CC=C3)COC4CCOC4,SBNFJJTYDQTVTL-UHFFFAOYSA-N
-8E2F9D7F76AAC11C_BD9433B1881A660C_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,APCIRMRJHQHLGO-UHFFFAOYSA-N
-8FA96D5A2F10A88E_1E288CE8D1E3838E_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)NC2C3=C(CC2)C=CC=C3,BYADJVJNEVLUJH-UHFFFAOYSA-N
-903CBDEF674368D5_65ED4C38364040CC_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC(=CC=C3)F)=O,PGJRBYBGBVWJHG-UHFFFAOYSA-N
-921C43550B0BA5DA_505CBA713B2ED9B6_6026_UN,CC1=C(C=NC=C1)[S](=O)(=O)N3CC=C(C2=CC=CC(=C2C)C)CC3,ACPXMWNTDBMKRW-UHFFFAOYSA-N
-93BAE108456CC70B_40887B3F40E376C0_6035_UN,O(C1CC[S](=O)CC1)C2=CC=CC3=C2N=C(C)C=C3C,PJSZDXJHYMRTEV-UHFFFAOYSA-N
-93F42E83FD033D70_B910586F115CA437_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,MVRUOEYYTADZTD-UHFFFAOYSA-N
-942E6827A2D1B0AD_E40DECBB757BAC17_6029_UN,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,JXUSTKMERHKLLE-UHFFFAOYSA-N
-9523AE2B8F5C904A_05F2DA383BAEA950_6027_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,ARBNVPUBDSGILQ-UHFFFAOYSA-N
-95699DE6F3265BF5_9119FF034D5663DA_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,WPHHMJAMHWNQBL-UHFFFAOYSA-N
-96B3AF258CD12F3B_4C956A04494534E2_6038_UN,CC3CC(NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)CCS3,CZIQXTMCBOEVKF-UHFFFAOYSA-N
-977176ED534837D0_CFA031281FEF2B82_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC3C4=C(OC(C)(C3)C)C=CC(=C4)F,MKFMPQDLZIHZGY-UHFFFAOYSA-N
-97E8DA39336B186D_60BCE21016698DAA_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[CH]5C[C]4(C[CH](C(OC)=O)C4)C5,HBAPKYLDBSVBGG-UHFFFAOYSA-N
-98D68ACE28B494B7_E5C1BE9D4AEC5143_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(COC3=NC=CC=C3)CC4,ZJOXYOQUODRYRH-UHFFFAOYSA-N
-991122FF3A95F8F2_AD6FE5A40148ECCB_6026_UN,CC2=C1C(=CC=CC1=CN=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,UIGYUZOSWWCISF-UHFFFAOYSA-N
-9AEA079E5EE0787D_A63396340C585202_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CC=C(C3=CN=CC(=C3)F)CC4,RIPHRMWMRJXFLN-UHFFFAOYSA-N
-9C5133B403F20349_663663CEE6A07C92_6035_UN,CC(OC2=CC=C(CCC1(C)NC(=O)NC1=O)C=C2)C3CCC(=O)O3,MMVKYEDENNXAJF-UHFFFAOYSA-N
-9E1F551AADC47742_03B37EFFAEAD42C6_6029_UN,C#CC1CCN(CCC1)[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O,ALCJHIVOTYMSHL-UHFFFAOYSA-N
-9F18E2F8958836B1_D84D16AC98BF2F9B_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(C3)OC4=NC=CS4,DLWJXAGNBRWWQE-UHFFFAOYSA-N
-A0E8E789EE1FFB3A_3570E46C98FBFD6D_6038_DP,N3C[C@@H](NC(C=CC2=C(OC)C=C1CC(OC1=C2)C)=O)CO3,UALWAHQOUVDHGV-JLOHTSLTSA-N
-A1F719EE4EA38440_E1B86D56625C0DC7_6035_UN,O(C1CC[S](=O)CC1)C2=CC(=NC3=C2C=C(C)C=C3)C,WVJOHHDEIUKWRH-UHFFFAOYSA-N
-A414A235B8D362B9_42F320CD78C7E168_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3CCC([S](C)(=O)=O)CC3,SXYXBBLBJFILNR-UHFFFAOYSA-N
-A41FACD474D452C5_46433328488E8A2C_6041_UN,C2(=NC1=NC=N[N]1C(=C2)C3=CC=CC=C3)NC5=C(C(OC)=O)C=C4OCOC4=C5,QLGOGSHIIGLCGY-UHFFFAOYSA-N
-A4B83E5DBFB650E1_3E6CBBE1EB29A43B_6041_DP,FC1=C(C=CC=C1NC2=C(CO)C=CC=C2)C(=O)C3CC3,UXVJZBGGOZLUMO-UHFFFAOYSA-N
-A5077EB4CD257BCF_7CD0D4A22E7800DE_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3CCC([S](C)(=O)=O)CC3,SNPPUJXBNJLWMT-UHFFFAOYSA-N
-A56E062D5423E4F2_2312D789161B9567_6039_DP,N3CCC(OCC2=CC=C([S](C1=CC=C(C)C=C1)(=O)=O)C=C2)C34CCC4,HUKSPLIQNZCXNO-UHFFFAOYSA-N
-A5A2BC45C870037E_6E6E036981B10764_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=N3)C#N)CC4,LRIPPLMPMJFRIM-UHFFFAOYSA-N
-A5FCC77783BB1747_6F34210EDCB710A0_6041_DP,CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3(C(OC)=O)CNC3,OPUFHYWPXJKUHX-UHFFFAOYSA-N
-A61D015505026BFC_A5FDDEBD65571010_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3CCC([S](C)=O)C3,LPQCDTIGJFHTAK-UHFFFAOYSA-N
-A73A350DED791105_16CEC9862551821F_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3CCN([S](C)(=O)=O)CC3,PPDFWJOSXCJVAT-UHFFFAOYSA-N
-A831520C8D39C9E2_B9CB7FA6C358884F_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC3=C(OC)C=CC(=C3)[S](=O)(=O)N4CCN(C)CC4,VXPGOAZWWSJKKG-UHFFFAOYSA-N
-A8FD709A3A52D338_28A843DA54A5595F_6038_DP,N2CCOCC(CNC(C=C(C1=CC=C(CC)C=C1)C)=O)C2,GOCLHYKALMWQRZ-UHFFFAOYSA-N
-A9A434821FCA9CDA_B54F3F85A272C82A_6041_DP,FC2=C1N=CN=C(C1=CC=C2)NCCC3[S](CCNC3)(=O)=O,DQCBNNSXRIYSNF-UHFFFAOYSA-N
-AA4D74F7C1ABDE08_EBFA96B56FA9197C_6029_UN,CC1CC(C1)N[S](C2=CC=CC(=N2)C3=CC=C(Cl)C=C3)(=O)=O,WGKQBXWAHXXDCA-UHFFFAOYSA-N
-AA5562FF86BC338C_7DCBD5227AE6F187_6028_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=NN=C(C)[N]3C4=CC=CC=C4)(=O)=O,GRQMVKJEOYYPHF-UHFFFAOYSA-N
-AB38DFC71559AE51_7E301B7A70CD2288_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NC3CC=C(C(OC)=O)C3,QOKZMSANOOGGRF-UHFFFAOYSA-N
-AC24D4486EE08990_006AFB3071CB403C_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NC3(C2=CC=C(OC)C=C2)CCCCCC3,HGDVEILNZOTOJF-UHFFFAOYSA-N
-AEB5EB9B35221321_1D305CF9170375A3_6038_DP,N2CCOCC(CNC(C=CC1=CC=C(CC)C=C1)=O)C2,QAQIKRTYKQSIBB-UHFFFAOYSA-N
-AFB2D034F5C9D9CA_EEA1B73954CAA67B_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,XABXPMSUNCVROE-UHFFFAOYSA-N
-B220520F3B843357_5E5F0DFFFDB4BED2_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NCC3(C2=CC=C(OC)C=C2)CCCCC3,BKTWHJKQYGARAX-UHFFFAOYSA-N
-B3466824A92AAEAA_51E01DD41663D03B_6026_UN,ClC2=NC=C1C=CC=C(C1=C2)[S](=O)(=O)N4CCC(C3=CC(=CC(=C3)C)C)CC4,YWXSOVVZAJHPJV-UHFFFAOYSA-N
-B4819DC95BA1AB00_3F33B11BBA6888E8_6026_UN,CC2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3C)C)CC4,DDMRGOVEUCZLSE-UHFFFAOYSA-N
-B485946571E1F808_29D1CE36DEB97476_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=C(C=NC=C3)N4CCCCC4,QLESCHUKDCKNJB-UHFFFAOYSA-N
-B529D5889A22BD47_7A28649EAC7E61E5_6026_UN,CC1=CC4=C(C(=C1)[S](=O)(=O)N3CCC(C2=CC(=CC(=C2)C)C)CC3)N=CC=C4,BHQWXBDKYMZXTJ-UHFFFAOYSA-N
-B555315904ED7E80_323A214D16079B06_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,RYQKIPMRERGQHO-UHFFFAOYSA-N
-B565968C16D4ECF3_3D7D72AC5696AE88_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N,UXWYYMLWPLVBBT-UHFFFAOYSA-N
-B56A1C2436E1D792_E657BC108D5476F6_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CSC(=N3)C)(=O)=O,AAYLLFXDKGVZGY-UHFFFAOYSA-N
-B59F3001B8E67BD7_A259D4915795CC01_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)N[C@@H]4CN(C)C(C4)=O,GBUFHAPQQZXYMK-LBPRGKRZSA-N
-B6C842197389FC9F_8067D883E5779642_6038_UN,S(C1=CC=C(C=C1)OC2CC2)C(C3=NOC(=C3)C(C)=O)=O,BQYYCKWGSVALHZ-UHFFFAOYSA-N
-BA776D54D530B20A_A986A8475CF046EE_6041_UN,C1(=CC(=CC=C1)CN2C=CC(=O)NC2=O)N[C@H]3[C@H](OC)CC3,FVAMBMLKFSRVJW-ZIAGYGMSSA-N
-BC7E479A76F57FA4_DBF5C390301F3A65_6039_UN,O(C1=CC2=C(C=C1)C(=O)CCO2)CC3=NCC(C(OC)=O)O3,LSACKRBZDIRLNM-UHFFFAOYSA-N
-BE339AF9C5779401_7C1827AEA8642363_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)COC4CCNCC4,XHZBDPSRXHXLSP-UHFFFAOYSA-N
-BE87D1B0D7655C78_DD96F8C57875DE2A_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC(N3CCN(C)CC3)C4,RYJCIXMCJBJHOW-UHFFFAOYSA-N
-C2C2C137B18FCE04_426060D3CFBAC0D9_6038_DP,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(C2=CC(=NC=C2)N3CCNCC3)=O,SSPPKAGPJNWETP-UHFFFAOYSA-N
-C2E0A20FC7BB9ADE_D777F430845DC24A_6026_UN,CC1=NC2=C(C=C1)C=CC=C2[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4,AYCLEFQYVPCRBC-UHFFFAOYSA-N
-C3542AB0BCEED0A0_281B77BD67548227_6026_UN,CC2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N4CCC(C3=C(C=CC(=C3)C)C)CC4,JNAXSZXZHQAAEH-UHFFFAOYSA-N
-C3BD08F8882A83CB_3371916881729D64_6041_DP,CC(=O)[C@@H]1C[C@H]1C2=C(C=CC=C2)NC3=C(CO)C=CC=C3,DLAFJOONLHLSHM-HOTGVXAUSA-N
-C4338CEF476E6B12_E4AFDDF3D87D7F4A_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,XJCJXGJKSNFMPO-KRWDZBQOSA-N
-C45F5585724E12AD_FF162DDCC95E24C0_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O,RTAWXILEVDZSFH-UHFFFAOYSA-N
-C4C548C023FF8047_980CA3C8F47D1C3D_6026_UN,CC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,WIDWROQPUNYSLQ-UHFFFAOYSA-N
-C5AC525918E36085_BE4D0D3755D95F6F_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC(OC3=NC=C(C#N)C=C3)C4,LYPFIHSUSYXCQN-UHFFFAOYSA-N
-C65E28F567BEECB8_02DCD98AC0A59F6C_6029_UN,N(CC1=CC(=CC=C1)C2CC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,URBAXZQHYVRYOP-UHFFFAOYSA-N
-C7EA44C274CEBCE9_8E8B124C27F5B90E_6029_UN,C1N(CCC(C1)[N]2C3=C(N=C2)C=CC=N3)[S](C4=C(F)C=CC5=C4CCC5)(=O)=O,MJFMEWNBADDERH-UHFFFAOYSA-N
-C96D6443F6633AC6_1F5492BB4504F8A5_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C5=C(Cl)C=C4CCOC4=C5)(=O)=O,IJNSIXVTVFXUHC-UHFFFAOYSA-N
-CA34DF5CAFE0F1D9_2D0F6530ABAAB798_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O,WKYFSZNMJAKVEB-UHFFFAOYSA-N
-CACCC6F81081A9B5_F2C4FBE0E869C099_6041_UN,CC1=CC2=C(C=C1)N=CC(=C2)NCC3CCC([S](C)(=O)=O)CC3,CLDZJBNJOYXSCN-UHFFFAOYSA-N
-CD71666F27FAC591_D197FDAA989C146A_6029_UN,C1CN(CCN1[S](C2=CC(=C(O)C(=C2)Cl)Cl)(=O)=O)C3=NC(=CS3)C4=CC=CS4,HOKOMGRLZBGOMH-UHFFFAOYSA-N
-CE2F3F06391399E6_8160F2B0EC27E412_6038_UN,CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(N=C3)Cl)Cl,VLRXKVHSQDEWCZ-UHFFFAOYSA-N
-CE3E7CC53BF3AA63_B823D59AB05FE40B_6029_UN,N(C1(CCC1)C2=NC=CC=N2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,VVWCLXUGRAJDCS-UHFFFAOYSA-N
-CEC5020E8713D902_C4FDCE40E2BCDC69_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NC2C=C(CCC2)C3=CC=C(C=C3)Cl,GOWHCWHIYOLCIC-UHFFFAOYSA-N
-D0C2E061861206A9_234341A7636A406E_6038_UN,CN3CCCC(CC1=CC(=CC=C1)NC(=O)C2=N[NH]C=C2F)C3,VKQBXNZLBUGJAE-UHFFFAOYSA-N
-D12F7CC47381DCE0_EC2FD6C1B33F79AE_6026_UN,CC1=CC4=C(C(=C1)[S](=O)(=O)N2CC(C2)OC3=NC=CS3)N=CC=C4,BNCZIRMWBYPKIP-UHFFFAOYSA-N
-D1885F28C549D7F0_E084E5786B8FD031_6028_UN,N(C1(CCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,ITHRGRQWUYLCHE-UHFFFAOYSA-N
-D31321910BD4163C_BD6763802118318E_6029_UN,C1N(CCC(C1)C2=NC3=C(C=C2)C=CC=N3)[S](C5=C(Cl)C=C4OCOC4=C5)(=O)=O,VHISSUPBBBFKMY-UHFFFAOYSA-N
-D3557CB0AE8315CD_CAF23DECE1830C23_6026_UN,CC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(CC3=CC(=C(C)C=C3)C)CC4,IHQCXPJBOOYTQP-UHFFFAOYSA-N
-D4B6223372469E86_674AAB520F3815E3_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(C3N=CN(C)C3)=O,YIAAUOPJSLLRJI-UHFFFAOYSA-N
-D510BCE25B9E8773_C3B858B34FACC22A_6026_UN,ClC2=C1C=CC=C(C1=CC=N2)[S](=O)(=O)N4CCCN(CC3=NC=C[N]3C)CC4,HAKHPCXAHXPKKQ-UHFFFAOYSA-N
-D64C8339398F09CF_97E39D3E1D5B636F_6035_UN,O(C1CC[S](=O)CC1)C2=CC(=CC3=C2N=C(C)C=C3)C,SSZWWOAPHIZEPQ-UHFFFAOYSA-N
-D6F73660FB5EFD7B_4DEB4F7ADFF94B37_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=CC(=C2CBr)C)(=O)=O)C3=CC=CC=C3,XHDUSUYWTPPAHQ-UHFFFAOYSA-N
-D812AA755AEB7E89_F8C57932FD81E85F_6029_UN,N(C1CC=CC1)[S](C2=C(C=CC(=C2)OC)C3CC3)(=O)=O,WDDAGYYLNKUNKB-UHFFFAOYSA-N
-D8C1C03CBF7C48C5_4C1FDDB7B4CA7C80_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC4=CC(=C(C=C4)F)C(CCC)=O,MTGZELBLXDAFAJ-UHFFFAOYSA-N
-D8FCA87AF48C8A21_BE4340EEF03A6ABF_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CBr)(=O)=O,PKKXBHAFUVMUCY-UHFFFAOYSA-N
-DA396592307AFE8D_AC7F20C1817CEB1C_6041_UN,CC2=C1C=CC=NC1=C(C=C2)NC3=C(C)C=CC=C3C(=O)N4CCCC4,YZAMEDAXLKATPY-UHFFFAOYSA-N
-DB414D12D9767D78_0F6A9AAB93F7B765_6038_UN,O(C1=CC=C(C=C1)OC2CC2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,UOMXFLBXOWKLIC-UHFFFAOYSA-N
-DC1684343DEE86B0_B037D9EBD529FAE0_6038_UN,N(C1=CC(=O)CC1)C(=O)C2=CC=C(C=C2)C=C3SC(=O)NC3=O,DPZZPNXJVAGRBU-UHFFFAOYSA-N
-DD4F084DEEE5E48B_E69660BFEC6A5F97_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,JKPQCPHWOHNHOY-OTVXOJSOSA-N
-DDF221514BF7B1B5_745264D2D1608FDB_6039_UN,O(C1=CC=C(C=C1)CC2NC(=O)NC2=O)CC(N(C)C)=O,NTHHAYUNLDQLPP-UHFFFAOYSA-N
-DE58E3C423AA3ED3_170F31CCECB738CF_6038_UN,S(C1=C2C(=CC=C1)C=CC=N2)C(C3=CC=CC(=C3)C4(C)CC4)=O,BVUAUWIYYPQDAJ-UHFFFAOYSA-N
-DE9ED107DB1B68F5_DB2733F8272B0DE5_6039_DP,COC(=O)[C@@H]2C[C@@H](OCC(NC1=CC=CC(=C1)NC(C)=O)=O)CN2,VYJBCOBHNYBRQC-KGLIPLIRSA-N
-E078C2973F3DB897_D002B5591B504F6F_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C(OC)F)=O,CBDCCWGZYIYGAE-UHFFFAOYSA-N
-E11AA212C0331D29_7222A8A1E9F861D6_6026_UN,[S](=O)(=O)(C1=CC=NC=C1)NC(C)(CC2=CC=CC=C2)C3CC3,NXKINTPZLPTLTE-UHFFFAOYSA-N
-E2B8C91542E9DF11_40729A1AD09A0B30_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(OC3=NC=CC(=C3)C)CC4,JATIUHMACHXDER-UHFFFAOYSA-N
-E440B5557079B408_29F8C728249250EE_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]4[C@H](C3=CC=C(OC)C=C3)CC4,XSYYJDKQEPMKPZ-LPHOPBHVSA-N
-E5159842540137CE_543176865CEC7EE4_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,PMYPMOKNTOVYSY-UHFFFAOYSA-N
-E6262DFD23771CFC_3B2E63B79E3BE4D1_6041_UN,CC1=CC2=C(C(=C1)F)N=CC(=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,RLMBXJDBCUBHKY-OTVXOJSOSA-N
-E8D4B7FAB2A059BF_8E98A0105D55E416_6038_DP,N1CCC13CC(CNC(C=CC2=CC=C(CC)C=C2)=O)C3,WZNONNSECRMCHC-UHFFFAOYSA-N
-EA498A07D7BC0016_B9E3DECC732C19AB_6041_UN,FC1=CC2=C(C(=C1)F)N=CC=C2N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,HNRNZTPGYNYIPY-MGCOHNPYSA-N
-EA7F19CEF73E37E9_3C8D3A2551DA2C02_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=CN=C[N]3C)CC4,BBZHAFPNJBVTFI-UHFFFAOYSA-N
-EA9B03A3B9F3AA67_FD65B305F121C355_6035_UN,O(C2CN(C1CC1)C(=O)C2)C3=C(C=C(CCOC)C=C3)Cl,XJHOZGNDPFTEFQ-UHFFFAOYSA-N
-ECF067861A7BFFAF_8132E2C9AE231B23_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=CN=C(C=C3)OC4CCCC4,UFWWCQQEBIZLHZ-UHFFFAOYSA-N
-ED24B0725B8597E0_FF77B33B405AD343_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)NC3CC=C(C(OC)=O)C3,FERUSQONYKZUIP-UHFFFAOYSA-N
-EDA81D35A553EBE6_029607A27D43B078_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NC3CC([S](C)(=O)=O)CC3,QDFXAMTVXKYKBP-UHFFFAOYSA-N
-EF1438449B13AC13_45344694C0986E4C_6041_UN,CC1=CC2=C(C=C1)N=CC(=C2)NC3CC([S](C)(=O)=O)CC3,PHWBIMNGJAOUEE-UHFFFAOYSA-N
-F0DA4171347BFD53_B1154E13B036D0AF_6026_UN,ClC2=C1C=CC=C(C1=NC=C2)[S](=O)(=O)N4CCC(OC3=NC=C(C)C=C3)CC4,REULPBRAHFGPDS-UHFFFAOYSA-N
-F116B533D850C286_DCF31307357456E5_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=NC=C3)CC)(=O)=O,SCJYYVGTKUTXPZ-UHFFFAOYSA-N
-F25F86BDC75A0645_BC08003646D23171_6003_UN,CC3=C(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C(=O)CC3,RMWBAKAIXRDVBA-UHFFFAOYSA-N
-F3DA59D30779B68E_D9865A483EDEF047_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,XZDYNIJRHBAURA-UHFFFAOYSA-N
-F4DDE1E2A1B6553E_A184236DCFB6C83B_6038_UN,C[N]1N=CN=C1C2=CC(=CC=C2)OC([C@@H]3CN(C)CC3)=O,BNPPFOHBKSLUMH-LBPRGKRZSA-N
-F572705ADDA80054_C632AF247333AA6D_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC=CC(=C3C)SC,XAIHFPREMWHBBQ-UHFFFAOYSA-N
-F725F47703ACFF69_0FAA7A6E9BFBA809_6035_UN,CC(OC1=NC=CC(=C1)[S](=O)(=O)F)C2=CC3=C(C=C2)OCC3,RGWGQCFIQCWPQZ-UHFFFAOYSA-N
-F86450C29B9D08AF_8653D052C8E54FB1_6041_UN,COC(=O)C1=C(C=CC(=N1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)C,CGGRRBZGASEZFW-UHFFFAOYSA-N
-F9410D01303C0F88_F892EE604DAA03DA_6041_UN,C2(=CC=NC3=C1N=CC=CC1=CC=C23)NC(C)C[S](=O)C,KDARXJCERFPXRG-UHFFFAOYSA-N
-FB7E0BEBC0292219_353B49E69D3E72D9_6038_DP,N2CCC(C)(CNC(C=CC1=CC=C(CC)C=C1)=O)C2,NSQHSXRQKLAHDX-UHFFFAOYSA-N
-FF9211743BCF0C1D_F42776152A67112D_7019_UN,C(C(=O)N1CCCC1C2=CC=CS2)=CC3=C[NH]C4=C(CC)C=CC=C34,VWYCTVBNWYQYSG-UHFFFAOYSA-N
-rxn:2:126310:121598,CC1CN(CC2CCC2)CCC1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,FLHQLYKPOGMQOZ-UHFFFAOYSA-N
-rxn:2:80603:121598,Cc1ccc(N2CCCC3CCCCC32)cc1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,FHBAUCJQZASNPX-UHFFFAOYSA-N
-00D3B3905A1C5189_F33304043F3B5AA7_7017_UN,N2([S](=O)(=O)C1=C(C=CC(=C1)F)Br)CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4,VGNLPZZZQYJANB-UHFFFAOYSA-N
-02316C40A8382352_666E9E91D8901A4E_6041_UN,OOC(=O)C1=CC(=CC=C1)NC3=CC=C(OC2=CC=CC(=C2)C)C=C3,RLABYYZQPWOBBP-UHFFFAOYSA-N
-033721FBF963FDB0_DC663F08EF945888_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC[C@@H]3[C@H](N(C)C(C3)=O)C4=C([N](N=C4C)C)C)F,UYMHPPLQSVCGBY-BLVKFPJESA-N
-0470F220FF3B102D_1FE9BF71BE1656D6_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)[S](N(C)C)(=O)=O)C,HMITUZCCHOSMGG-UHFFFAOYSA-N
-0595AFDEC22AC7AB_F9AC0DA377A9A7AB_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=CC(=CC=C2)C(O)CO,SZMFVUUYEGXJKW-UHFFFAOYSA-N
-06F0C6A8900A5A69_470F9682FA28E711_7022_UN,CC1=CC(=CC(=C1)C)N[C@H](C[P](=O)(O)O)C2=CC=CC=C2,PJEZHDKAFDYFKV-MRXNPFEDSA-N
-0710F4896A5D9AD6_A9FE6C122B92C523_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,XNWWNCBNXJSVQM-UWUNEBHHSA-N
-07E20901E0D8BC80_03FB536DEFAA375F_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(OC)C=C3)(=O)=O,HKPSRWURIVZBHZ-UHFFFAOYSA-N
-0843D6A32728B600_C6FA9C207C453D4F_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=NC=C(C(=C2)C#N)OC3CC3)(=O)=O,OCMSUEYGRYYTPJ-UHFFFAOYSA-N
-0AD77178A674F2BB_4D9E6D53940D1946_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(=O)C(=CC3=CN=CC=C3)F,DESVENYYYUIPMI-UHFFFAOYSA-N
-0AF357CAA7A57ECF_34B72DD51B573640_6026_UN,ClC1=C(C2=C(C=C1)SC=N2)[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,HDMMRQLAZFKFGU-UHFFFAOYSA-N
-0B1A86D1DED8C37A_1C000FB88864C40D_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,WXAOJGKMNHGHLK-UHFFFAOYSA-N
-0C36B45516D30630_A1C2A29C02F5D4A4_6038_UN,CC(NC(C2C[N]1C(=NN=C1C)C2)=O)CC3=C(C=C(C=C3)N(C)C)C,MSGFRKJDQYKQMK-UHFFFAOYSA-N
-0C779D1BD1AB3E85_95AD3C1ABCDF2BB8_6038_UN,CN(C)CCCOC1=C(C=CN=C1)CNC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,UPJOCQOTVDXFEB-UHFFFAOYSA-N
-0CAC926A34744EDA_B7BEB7B5F7753F6B_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCNC(C3=CC=CC(=C3)Br)C4,XSILNEOJUMAKMZ-UHFFFAOYSA-N
-10678B9CB30DCFBC_719AFA6944B5BA70_6029_UN,N(CC1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,LOULYXAZNZRODH-ZJRDLVKKSA-N
-146468E659679A72_B9688AF57A2A7F83_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C4=CC=C(OC3=NC=C(C)C=C3)C=C4)=O,ALCYFPXBOBFDOJ-UHFFFAOYSA-N
-156A4073EB3E2C8C_3AAC082D2ED469D7_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,TXHVNUNWMBIMDL-UHFFFAOYSA-N
-17492009E7225648_8F24DFFDBD529C0B_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(C)CN(C)C)=O,LORZNSJJRRYINL-UHFFFAOYSA-N
-1829D153D636D16D_135D60D2F2BE1091_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=C[NH]N=C3C4=CC=CC=C4)(=O)=O,AFRSWYWDAOKSSE-UHFFFAOYSA-N
-18BAD14F466F617B_B5945DC39994FC17_7017_UN,N3([S](=O)(=O)C1=CC2=C(C=C1)N=C(Cl)S2)CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5,SCGRRCKYLIPNTO-UHFFFAOYSA-N
-18C0315BE1630E52_98397ABD356D7832_6026_UN,CSC1=C(C=CC=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3,LYMDJPLGWQHMTR-UHFFFAOYSA-N
-1A525955F22FB49E_BE29C3E1375E06E5_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)Br,UJUZVVCGSRCOIH-UHFFFAOYSA-N
-1BD9153542D97173_CC63F8793CCC8AB8_6026_UN,[S](=O)(=O)(C1=NC2=C(C=C1)C=CC=C2)N(C)C3CCN(CC3)C4=NC=CC=N4,NVWHBJDDAXCLNN-UHFFFAOYSA-N
-1C1005FAD88A64DC_217A8C30A5855AD0_7015_UN,N(C1=CC=C(C=C1)OC2=CC(=CC=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,DNTHOUMARNUKLU-UHFFFAOYSA-N
-1C50D2441F92E1B5_B50E4AAD26BA14E7_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(C=C2)[N](=O)=O)OC)OC(F)F,BABGRIOYSWYNQR-UHFFFAOYSA-N
-1C979574C7ECFFEC_7AC48CCB574CA1F2_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(C)N=CC=C3)C4CC4,ACDFKWOLKUMGSW-UHFFFAOYSA-N
-1F5EC8EA1108282D_7206965785A75C38_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3C)C)CC4,YBJMHLVHHGZPFN-UHFFFAOYSA-N
-1F8AA9EA129B045C_AA29D14CF72305F5_6038_UN,CC(C)N1C(=NCC1)CNC([C@@H](C)OCCN(C)C)=O,IIBLTABKZKKPNJ-GFCCVEGCSA-N
-21630C457D4FC98D_FDDA38A6D854B968_6029_UN,N(CC1=NC=C(C=C1)C#N)[S](C2=CC(=CC=C2)C3=CC=CC=C3)(=O)=O,HYEVVMQLAYWTJK-UHFFFAOYSA-N
-225DE00C1E705BFB_7BF75E2D11EDA21F_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCN(CC3)C4=C5C(=NC=C4)C=CS5,VSHXHGBPBJFPAZ-UHFFFAOYSA-N
-2400D28EAF206BDF_1AE61689EA171DCA_7017_UN,N2([S](=O)(=O)C1=C(C=CC(=C1)Cl)F)CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4,LGERQXVAVBKRQO-UHFFFAOYSA-N
-24F2D7D5CD041669_22E8E8FC1951A598_6038_UN,N(C1=CC=C(C=C1)C2=NN=C[NH]2)C(C(NO)CC3=CC=CC=C3)=O,UVOZUYCNVSAOPD-UHFFFAOYSA-N
-25526B748764BB28_8872EC9AB1887529_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C3=C(C=C2)[NH]N=C3)Br,XIMHCMKIAFAOFX-UHFFFAOYSA-N
-255ED52A57E9C06C_40C367B87EA3543F_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C)C=C3)OC4=CC=NC=C4)=O,NLRNHZCGJRPSBJ-UHFFFAOYSA-N
-25ED76FD339095B1_BF137165A519117E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3=CC(=CC=C3)OC4=NC=C(C=C4)C#N,STCCAPYCYJFTSY-UHFFFAOYSA-N
-27225DAFA15D665F_75EA4904BE15C29D_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCN(CC3)C5=NC4=C(C=CC=C4)S5,ZMDXEWWLNGRIQY-UHFFFAOYSA-N
-2A28B67A1C6E9BDA_948B472AB29005FB_6041_UN,O=[N](=O)C1=C(C=CN=C1NC3=CC=C(N2CC(C)(C)C2)C=C3)C#N,PQKFXNKYVJXJMG-UHFFFAOYSA-N
-2C2DAB305DA42E97_887730E680367CEE_6041_UN,FC1=CC2=C(C=C1)C3=C([NH]2)N=CN=C3NC4=CC=CC(=C4)O[Si](C(C)(C)C)(C)C,GVXLBHKLZSCGEW-UHFFFAOYSA-N
-2D066E30ED088E73_5FC440D3235E4DBA_6038_DP,CN(C)C1=C(C=CC=C1)NC(C(C)N2CCNCC2=O)=O,SUUAOVZTEXOJHU-UHFFFAOYSA-N
-2D28D9C7538B88DA_495B9D2D8A55094D_6041_UN,CC1=CC(=C(C=C1)NCC2=CC(=CC=C2)N3C(CCCC3)=O)N=C=O,OKUZLRFTMVHAGG-UHFFFAOYSA-N
-2DBEF8110635AA99_50585D93FC62FC6C_6029_UN,N(CC1CC(C1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,AJNHGFZJOZEKRH-UHFFFAOYSA-N
-2E3351BE8D29B65E_3306A2C93D495C71_6038_UN,N(C1=C(C=CC=C1)OC2CC(=O)N2)C(CCCC(N(C)C)=O)=O,OVUGLWYXMKKZCA-UHFFFAOYSA-N
-2E839494C5732475_F10FC21E9B893C50_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C=C3SCC(N3C)=O)=O,CNUNGIMIHYQFHK-UHFFFAOYSA-N
-2F910BBA53DB06A2_B8B56197EF583A02_6029_DP,N(CC1CC(C1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,LOSGAEWCSMUYFX-UHFFFAOYSA-N
-3291D83E448EE559_4A22B8AF2EEAE289_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C(C)O3,UXSKIOGFVUBFDF-UHFFFAOYSA-N
-33908708433E129A_C5CB55D22F9FCE44_6029_UN,N(CC=CC1=CN=CC=C1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,MVUMLRSPHAZBLM-UHFFFAOYSA-N
-35441656CAC251B0_50B6C103B516EC9D_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=C(S2)CC)=O,NOCAVEPKXLXUFN-UHFFFAOYSA-N
-355502BAFA9F6C55_AC9B453C4B14BF51_6028_UN,C1C(CN1[S](C3=C2C=CC=CC2=C(N=N3)C4=CC=CC=C4)(=O)=O)OC5=NC=CS5,NKHVCLXCWPBAPE-UHFFFAOYSA-N
-3671E62AA7A9FB47_862CF974D761A002_6041_UN,C2(=C1C(NNC1=CC=C2)=O)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,JMUQTDLSDGQIHP-UHFFFAOYSA-N
-3884A20857D80CC5_110D112104C5D933_7015_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,YNRYRWJDSCNRNG-UHFFFAOYSA-N
-38DE024430C520B5_B4B09693AFD908F3_6029_UN,N([C@H]1[C@@H](C1)C2=CC3=C(C=C2)C=CC=C3)[S](C5=CC=C(OC4=CC=C([S](Cl)(=O)=O)C=C4)C=C5)(=O)=O,YDQFVBCZMYFOFN-LOSJGSFVSA-N
-3958C37A7BB0FB8E_DA0D171A9214D04F_6038_UN,N(C1=CC(=C(C=C1)F)N2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,JHEVWYHGGZFZSB-UHFFFAOYSA-N
-39B49689F50343FE_E4C5CB3B54F4F53E_6029_UN,CC1=C(C=CC=C1)CCN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,JPEOVKBBMRUSRU-UHFFFAOYSA-N
-3A676C67CB51A610_44943081CB0DBD3F_7015_UN,N(C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,AFSBFJFHRSMBOL-UHFFFAOYSA-N
-3C855BCC9C1C71D9_909474B94D0EF9C7_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NOC(=C3C)C4=CC=C(C=C4)Cl,CRBJXDLWRVWXEE-UHFFFAOYSA-N
-3DA62EACF885C23E_8A2CA942C1FAB2A9_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4)Br,TYIADPZMMREHID-UHFFFAOYSA-N
-3E7CF31E804F5EB6_A95CF53906DEA873_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)Br,WXGWQEFOJOTWBP-UHFFFAOYSA-N
-3EF9498D26B0A5E0_11A9ABE198039398_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(OC)C=C(C(=C2)C)C,SYSMNAFOCGSMKW-UHFFFAOYSA-N
-407E1D40E517A6E6_12957A3A557FA216_6026_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)NCC2=CCN(C)CC2)CC,HJHKGQFIQFERFA-UHFFFAOYSA-N
-40A588EEB4250190_E4975DAFDA4AD491_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C([C@H]3C[C@@H]3C)=O,PNRMSRISQHHOGF-UWVGGRQHSA-N
-4128CC7EAC493B3C_DE64B63DC7B39A13_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCN(C3=CN=C(C#N)C=C3)CC4,DGIUHZDDGRIMAD-UHFFFAOYSA-N
-41EB8D46AE038DE4_C6B2796EE4F2BF79_6038_DP,N(C1=C(C=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3)C(C4=CC=C(O)C=C4)=O,GLVBXKOLIUSGOC-UHFFFAOYSA-N
-4295030948930D2A_451E185A7DCC8909_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,OFMAAZCIEAMVGI-UHFFFAOYSA-N
-4344B3272A40A720_EFB292DD1FF2DD6E_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C3CN(C)C(C3)=O)=O,ZCVTWKKXLWJDPB-UHFFFAOYSA-N
-43C52A4843A646D6_81A6CEA07945E99B_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCN(C)C)=C)=O,WTRIWQDLRKAJBX-UHFFFAOYSA-N
-44E25CD126B8F5AA_6D68D552250FA93D_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,UMPXKZZSSZIIRO-UHFFFAOYSA-N
-4607AA71FCE9E6AE_4F92F8D0DBFBCACD_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C)C(C3)C4=C(C=CC=C4)Cl,UAFXHUOSUGVAKX-UHFFFAOYSA-N
-4688937AF5A729DE_37C2B905270C742E_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,FBQPZAMXWJTQDK-JKSUJKDBSA-N
-46DAE62BA114CD6D_6F0A9F288E32E9E6_7015_UN,CC1=CC(=CC=C1)OC2=CC(=CC=C2)N[S](C(O)C3=CC=CC=C3)(=O)=O,VURVVSUJLNHZAH-UHFFFAOYSA-N
-4834933054D650CF_6DFC363B97D616BA_6041_UN,O=[N](=O)C1=CC(=C(C=C1)F)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3,WAQIZBJBDXTUBA-UHFFFAOYSA-N
-4BE511BFCF3837B1_B54F6EA360E3FDB6_6036_UN,C1(COC2=C1C=CC(=C2)Cl)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,CSWZQAOVUWWTST-UHFFFAOYSA-N
-4CF37BF1880812F6_D9703698761061EA_6038_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,MKVCUOOGAJQDPU-UHFFFAOYSA-N
-4E6CA2C1177E3F73_05C358016E90B7CA_6039_UN,O(CCCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=C(S2)C)=O,HVFQEPPPIHALME-UHFFFAOYSA-N
-4F9A0F16AB94C41F_32F158CD331FD3F8_7017_UN,N4([S](=O)(=O)C1=CC(=CC=C1)I)CCN(C2=NC(=CS2)C3=CC=C(N)C=C3)CC4,MECQJBOSPMIRIN-UHFFFAOYSA-N
-50BD03515A8CBFF3_1CEE4B5AAF81818D_6029_UN,N(CCC1=CCCC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,UVAXZLMXRIJQAR-UHFFFAOYSA-N
-51952955B85757BC_43C883A50C9FA1E2_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2=CC(=O)CCC2)C(=O)O3,PZXDTYGZCAQMPI-UHFFFAOYSA-N
-53BDDE030C63CB1C_C8D1587DEC3C1071_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C(=CC(=C4)[S](N(C)C)(=O)=O)C)C,ZLYOEHPMSWXQAT-UHFFFAOYSA-N
-54C11E0C165C51E7_F0DE4823D3BD8A11_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(N(C)C)C=CC(=C4)[S](=O)(=O)N(C)C,BKBOCOUXXQTDFC-UHFFFAOYSA-N
-5566D54612478FB4_0A077D7704F28281_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)[S](N(C)C)(=O)=O)C,JDHNHSFYMTUFTK-UHFFFAOYSA-N
-55D3E19532D30F12_ADEDD7403F41DC0B_6029_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=CC=C(C=C3)OC4=CC=CC=C4)(=O)=O,IOHOXUYLLIHKRK-FCHUYYIVSA-N
-56380226FA46C112_5D239BD6BDD37F44_6041_UN,CN(C)C1=C(C(=NC=N1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3)[N](=O)=O,RVJNBAQUOYTXGR-AWEZNQCLSA-N
-57B44472108E3F64_4086EDBA604F0B4F_6029_UN,C1N(CCN(C1)C2=C3C(=CC=C2)SC=C3)[S](C4=C([C@H](C)O)C=CC=C4)(=O)=O,IKMPKUAGNHISCP-HNNXBMFYSA-N
-5934AB9CFAF29FD4_12CC2B16A7ED1042_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC=C(C(C)(C)C)C=C4)(=O)=O,XCGBJIMBCQGHBH-UHFFFAOYSA-N
-59AF450B473A7398_92476B00E21A0D44_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C([C@@H](C)O)C=C3)C)(=O)=O,OWAIRWKYHCMYHB-PPDQVPDSSA-N
-5A09CC598936F99F_AB33907E7C161D06_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC=CC(=C3)C)CC4)Cl,YAROVUARYNUUQK-UHFFFAOYSA-N
-5B13C7FCB482CFAB_B8A407B491911B69_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N([S](C3=CC=C(F)C=C3)(=O)=O)C4=CC=CC=C4,QVGHQUVNLMDFAR-UHFFFAOYSA-N
-5BA5D01EEEC63B5F_F5EEC019DD90BA80_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)C,GGBPAYCKGGEHIM-UHFFFAOYSA-N
-5BB5C812A8AA4AC5_DC5A0B667C682DDB_6028_UN,C1C(CN1[S](C2=CC(=CS2)C)(=O)=O)OC3=CC=CC=C3,NHYVYIYMISSQCA-UHFFFAOYSA-N
-5CE878506E6F9366_9190705FC93F51CD_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,WIMFWBMTFNTLFC-UHFFFAOYSA-N
-5D995CA9ACECA5D8_C9D10A927A499938_6039_UN,O(CCCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=CS2)=O,TUKUJCSBNWPHAP-UHFFFAOYSA-N
-5DE95BDC38D68550_BA3732021985DA8D_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(CCCN3C(CN(C)C3=O)=O)=O,HECJTULKEXJTEM-HNNXBMFYSA-N
-5E1A67375F15B89A_542EF055E67B0D72_7017_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)C4,OJIVQIYQYREGGL-UHFFFAOYSA-N
-5E5D5E044996F1EF_0FF3E621CAFBBC3C_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C=C(C(OCC)=O)C=C2Cl)Cl,SSLLPYVVKIXDCB-UHFFFAOYSA-N
-5E926BBE3B7A223D_A806CE6F95C9701A_6035_UN,CC(COC1=C(C=C(C(OC)=O)C=C1OC)[N](=O)=O)N2CCNC2=O,WVIIZOJEGIUTLW-UHFFFAOYSA-N
-5EE8866E70EFA4C6_DCB9E4293D0F0CB3_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC4=C(C=CC(=C4)[S](=O)(=O)N5CCCCC5)OC6=CC=CC=C6,ZDVHPIBBCADAOM-UHFFFAOYSA-N
-5F41E0FC095DDA3D_0E829AF2FAE5E32D_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(C)C(C3)C4=C(C=CC=C4)Cl,OYGWZBIVPIIQCR-UHFFFAOYSA-N
-623881E75E1DBE3B_9A831B300330E04F_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=CC(=C3)C)CC4)Br,RMZQVTOOASYGKG-UHFFFAOYSA-N
-63AD3CA6A132C1C3_635EC1EF13723190_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C[N]3C)CC4)Br,DRHCEHARWZQBJS-UHFFFAOYSA-N
-643BF290B58A9F46_306D06B2006D52D1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)N3CCN(CC3)C5=C4C=CSC4=CC=N5,LVWTWYWNFTVGOX-UHFFFAOYSA-N
-653F8BA1246B74CA_2D1414C67793AF58_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=N[N](C)C=C3)(=O)=O,HIVBZKHGKPZBAJ-UHFFFAOYSA-N
-65665976C99DD047_A0BEDA03C8A6EFB6_6038_UN,N(C1=CC=C(C=C1)C3=C[N]2C=CC=NC2=N3)C(C4N(C)CSC4)=O,IOJQZDIPSSFXLL-UHFFFAOYSA-N
-65DD31C54F346A27_D3A90C0A77739C57_6041_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NC4CC([S](C)(=O)=O)CCC4,HGEIAOHABPFDCP-UHFFFAOYSA-N
-6911BB7A05FA9DFC_E6644D1C2DE631F9_6041_UN,O=[N]1=CC(=NC=C1)NC3=CC2=C(CN(C(C(C)C)C)C2)C=C3,UIAQFAOTHQYCBC-UHFFFAOYSA-N
-6A6504CB4D73E3A0_899180847ED9E517_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NC3=CN=C(N2CCN(C)CC2)C=C3,BNZGNXRRIVYPLN-UHFFFAOYSA-N
-6B371FB77729B13B_BCBF806B38C53225_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=C(C=N2)NC3=C(CCC3(C)C)C#N,SYBRLZJGENWOHM-UHFFFAOYSA-N
-6C6508A943924E48_4670562B81F03299_6036_UN,C(C1=CC(=CC=C1)C2=CC=C(C#N)S2)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,QCZSKSGWPKUCHC-UHFFFAOYSA-N
-6D512485F19FE91F_80C6DF2BA3E1E7B4_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C=C(C(OCC)=O)C=C2Cl)Cl,DQCVZOVSQQWJBU-UHFFFAOYSA-N
-70ACB25EBB380682_2F35A64DD8B7AB88_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=CC=CC(=C2)N3CC(C)(C)C3)C#N,TTXCJFNVCPHYDB-UHFFFAOYSA-N
-70B7230814005B7A_766D19EC296CC1D2_6038_UN,N(CC1=CC(=C(C=C1)C2CC2)F)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,OOOAVROXZDUMQG-UHFFFAOYSA-N
-70BAFB2EA38C6D7B_40BE2B045D2B9BDF_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,GYMGSWYROHHSND-BGYRXZFFSA-N
-72BF76251387933B_AD759C7B48E9AA0C_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)N[C@H]2CCOC3=C2C=C(CC)C=C3,QPTLZVOPEQPZMN-AWEZNQCLSA-N
-730CE413FDE2865A_7D778B180405FC0C_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C,DEGJHZXCPPTVEO-UHFFFAOYSA-N
-75AE5078626D9447_BBAC96018ECDD367_6029_UN,N(CC1CC=CC1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,GEXRZWRAGQPCAW-UHFFFAOYSA-N
-75C21D0F2FEF0D0A_732A3E81F9CDD262_7015_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,WWWTWRUUIPOMKV-UHFFFAOYSA-N
-769B68FB3002C5AD_FB79B6706B1235C4_6029_UN,CC(N2CCC(N[S](C1=CC=C(C=CC)C=C1)(=O)=O)CC2)C3=CC=CC=C3,OMJNTRLSFVHKHH-UHFFFAOYSA-N
-7800D0102C94031D_9D599F9AF07A1C3F_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=CC=NC(=N3)C)CC4)Br,HCPGYDQIDATMHC-UHFFFAOYSA-N
-78341975D230EF0B_65985786A2739953_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,URXWGWFDGJPZJW-NZVBXONLSA-N
-78A53B65A813D584_72A77FE7318DB6D0_7017_UN,N2([S](=O)(=O)C1=C(C=CC(=C1)I)Cl)CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4,JQGIMJQTRCPICW-UHFFFAOYSA-N
-78B09760FAEC5CBF_BBE09BAE3FED102E_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3,BFVXHNJHZFXDFN-UHFFFAOYSA-N
-79516086D3D2D597_4F25929DFE9D908B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CN=C(N(C)C)C=C2)=O,MKXBVOFTUQETDR-VIFPVBQESA-N
-7ACC62D9C90A6D80_C4E81CEB5C18A50A_6043_DP,N1CCN(CC1)C2=NC=CC(=C2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,SACUYCKTAWNHFX-UHFFFAOYSA-N
-7ACDD6F12181A45D_F4494D799B38D1B6_6029_DP,OC1CC(C1)CN[S](C3=C(C(O)C2=CC=CC=C2)C=CC=C3)(=O)=O,OSQUEAKDWODRET-UHFFFAOYSA-N
-7F5AED1FE452FAF9_DEA837997F037F00_6029_UN,COC1=NC=CC(=C1)CCN[S](C2=C(C=CC=C2)C3CC3)(=O)=O,PCHWVRQRFCUVTB-UHFFFAOYSA-N
-8117F307A772BE91_257AA0EF9A94A4F7_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C2CCN(C(OCC(C)C)=O)CC2)=O,KBBJDCZUTIGXEI-UHFFFAOYSA-N
-82B79A82116208C4_B9E365AD42671EC5_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC(=C2)F)NCC4=CN=C(N3CCN(C)CC3)C=C4,YXKBPYKLUZRNBA-UHFFFAOYSA-N
-82B81F12E0898B23_DBC76CB13BFDE984_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=CC(=C2)SC)(=O)=O)C3=CC=CC=C3,LYYPKYUOELRZJU-UHFFFAOYSA-N
-84519D8B12DAF62E_D81F5D2C43D96ECF_6027_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,MKONPLWESDBUOD-WOVMCDHWSA-N
-84FF6F9731028A2D_1225D2793024497E_6038_UN,N(CC1=CC(=CN=C1)C#N)C(C=CC2=CC=C(SC)C=C2)=O,IJRRNPJCAGXPHM-UHFFFAOYSA-N
-862172A429111D21_DA3B26615990ED9F_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,JSFGDGUFRZTCSP-HKUYNNGSSA-N
-86664C18AEE51F81_CD21CDE9F6AE6FA4_6036_UN,C(C1=CC(=CC=C1)C2=CC=C(C#N)S2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,RFMJFOMYAFVFJA-UHFFFAOYSA-N
-87E35F5F9976FAC1_C20319D2D2BBF2E8_6029_DP,N(CCC1=CC=C(C=C1)C2CC2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,AFISYCLPTXHMFS-UHFFFAOYSA-N
-88C43F89239A902C_2C6A680A55F11F46_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC4=C(C3=CC=C(N(C)C)C=C3)C=CN=C4,PSVRTXACPDOKIO-UHFFFAOYSA-N
-895DDD28C9121736_17F4812CF02BE70B_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(N(C)C)N=CC=C2)=O,MUFOSBMBEYNXQB-SECBINFHSA-N
-898153E38188639B_85F74622372C0021_6026_DP,[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCC4=CC=C(N3CCN(C)CC3)C=C4,HZGKPWUCRURFAL-UHFFFAOYSA-N
-89D4ED2C88849648_D2FAB83E5C344C41_6043_UN,C1(=NC=C(C=C1)C2CC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,IQSVHYTZLMGIQL-UHFFFAOYSA-N
-8A6EFAAF72B00D17_4898A7FAEB44313C_6029_UN,N(CC1CCC2=C(CC1)C=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,SNSTXCYFANNWEG-UHFFFAOYSA-N
-8BF9892A149FBF4A_0DD15FECFF9C518B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3CN(C(=O)C3)C4=CC=C(C=C4)OC5=CC=CC=C5,GTNOCXSVOLGFBC-UHFFFAOYSA-N
-8C2BD4BCBB3370B0_847F7DE94A0985BE_6041_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NCC4CN([S](C)(=O)=O)C4,YJAPRKVSLCPGGN-UHFFFAOYSA-N
-8C89F659EAFFA807_58AEBCA9003B3930_6038_UN,N(C1=CC(=CC=C1)C2=NN=C[NH]2)C(C(NO)CC3=CC=CC=C3)=O,GBWBPWDOZLZCNL-UHFFFAOYSA-N
-90F43912BC212C8A_917AA896B5AD440E_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(OC3=C(Cl)C=CC=C3)C4,PLSUKOUYPJFMPK-UHFFFAOYSA-N
-91B430BFDA3D0071_A4C6E175EC6F432D_6038_UN,CN(C)CC(CNC(=O)C1=NNC(=O)CC1)C2=CC=CC=C2,IOHSUUWFFQMFJI-UHFFFAOYSA-N
-93F8B2E12F604354_7B1312B109AF8C5B_6038_DP,CN(C)C1=CC(=C(C=C1)NC(C(C)N2CCNCC2=O)=O)C,SSONPWJCBVKMJF-UHFFFAOYSA-N
-94154561F324E1F9_AFD3999BEF92C12D_7022_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)[S](=O)(=O)O,MTDKCYJPYQKFRK-UHFFFAOYSA-N
-9490BE9A32AF41A1_07222D53B0B745EF_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C=C(CC(OCC)=O)C=C2)F,ZIYOUUULBXCMRH-UHFFFAOYSA-N
-9567E5C24E69DEAB_2450F896F8786204_6003_UN,CCC2(COC1=CC=C(C(OC)=O)C=C1OC)C(=O)NC(=O)NC2=O,SSCLFEDZGZTYNA-UHFFFAOYSA-N
-9649E8BADFCC2DE5_20DF92A6E2804B76_6041_UN,O=[N](=O)C2=C1N=CC=C(C1=CC=C2)NC3=C(C)C=CC(=C3)N4CCOCC4,LAWVDDZKGLKZNF-UHFFFAOYSA-N
-966374045100F629_B4DDBBD101966103_7017_UN,N6([S](=O)(=O)C1=C(C=CC=C1)C2=CC=CC=C2)CCN(C3=NC4=C(C(=O)N3)C(=CS4)C5=CC=CC=C5)CC6,OMZLEHDSFRGTPV-UHFFFAOYSA-N
-96C66AED5559A5A5_D420ECDA16C84CF5_6026_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)SCC4,NKCBZKIOPIXVFR-UHFFFAOYSA-N
-9776DFBBFCABBFF0_7749B4ABAC1C837A_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)CNCC4,HJUMDJFBRWUDEF-UHFFFAOYSA-N
-9C8C423DDDA4CE63_8BFF231113913378_6038_UN,CN(C)C1=CC(=C(C=C1)NC([C@@H]2N(C)C(CC2)=O)=O)C,FSSGUNPNSQEGDZ-CYBMUJFWSA-N
-9E4C359C129F6CDA_B871B9A03B61F1B7_6038_UN,N(C1=CC(=C(C=C1)F)N2C(=O)CCC2=O)C(C(CC)=C)=O,QVNTXFYHHDPTHC-UHFFFAOYSA-N
-A04228E3E6D0A2A7_2839E8EFA6D9A199_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=C(N=C(N2CCN(C)CC2)C=C3)C)C4=CC=CC=C4,ZVCKFTXPGBFYOA-UHFFFAOYSA-N
-A2BBD921A5D835A8_259B73EBEFB8CA97_6029_UN,N(C1CC(C1)(C#N)C2=CC=CC=C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,NWZZMHLIVGDNOO-UHFFFAOYSA-N
-A35336C86C7B9C5A_13E1CFFE2B0D61BA_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=C(Cl)C=CC=C2)CC3)[N]4C=NN=N4,SVRATYVDUAJYMS-UHFFFAOYSA-N
-A3D6323A7F386FFC_73A1177FC0465601_6038_DP,CC[C@H](C)[C@H](NC(C(C1=CCNC1)(C)C)=O)CN(C)C,HTLBZHVJNQCWKV-GXTWGEPZSA-N
-A49669E30F6B5D1E_C0D07EAE02E21968_6038_UN,O(C1=CC=CC=CC1=O)C(C[S](C2=CC=CC(=C2)OC)=O)=O,JNWDSNVRJFIONW-UHFFFAOYSA-N
-A5C669073F34B41B_F35CC777CE253174_6028_UN,C1C(CN1[S](C2=NC(=NC3=C2C(=CC=C3)Cl)C4=C(C)C=CC=C4)(=O)=O)OC5=CC=CC=C5,AZYIGNXHPBZKGL-UHFFFAOYSA-N
-A5CA880DD2263152_AEB32C2ABE89E14D_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=C(C=CC(=C2)[C@H](C)O)F)(=O)=O)C3=CC=CC=C3,FKRHNBCQBZXAJW-XGWLTEMNSA-N
-A74AC5D9F0C0CD8D_6BCE4AFACC41C353_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NCCCCN3CCC(C)CC3,XTMWVRXZNIKQFC-UHFFFAOYSA-N
-AA30BCBF058B74D5_2F495A5B40CCA3BA_6038_DP,N(C1=C(C=CC=C1)COC2=CC=CC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,MIEUUNJVNOLRQE-UHFFFAOYSA-N
-AAA37256EA3FB86C_9FA93956D4B3A599_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C([N](=O)=O)C=C2)OC3CC3,IAFHRLUUFMEBRC-UHFFFAOYSA-N
-AC7A00445BA49D94_F07C0598689F2194_7017_UN,N3([S](=O)(=O)C1=C(C2=C(C=C1)C=CC=C2)Br)CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5,ZCFSYCCDXTVRPF-UHFFFAOYSA-N
-AD0739742073E20C_A28DE6D5B3D98DD4_6041_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NC4CCN([S](C)(=O)=O)CC4,RVNZRHFZBGUMJB-UHFFFAOYSA-N
-ADFF06A991DC5915_E5C8D403A36AD4E0_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,WFHBCSGEQQKQSI-UHFFFAOYSA-N
-AE099E6FAABD5806_174F5E629F604D93_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,OJGUKPZBUMCZOC-UHFFFAOYSA-N
-AE58F515406E7671_B1DD26465A529D27_6029_UN,N(CC1=CC=C(C=C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@@H]4C[C@H]4[S](Cl)(=O)=O)(=O)=O,JUDQBPFSMAPPFF-FCHUYYIVSA-N
-AF78A498F7707F15_A5A0EEAB4D44C2E7_6028_UN,N([C@@H]1C[C@H](C1)OC2=CC=CC=C2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,VNISALXJRWUYMJ-JCNLHEQBSA-N
-B0157555C93CC4C2_FADF300D4317B242_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4,PIAKSKPAMYRHPB-UHFFFAOYSA-N
-B017A11509B48CFB_3F65D568915E35FC_6029_DP,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,OLAOBQDJJKSJKM-UHFFFAOYSA-N
-B11542C5BA37011E_53E206B71C480479_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C,YECLWRYMICYBLV-UHFFFAOYSA-N
-B14D2EA3A9B22DC5_D62896C1A5BC1A41_6038_DP,CSC1=CC=C(C=C1)NC(C=CC3=C(C2CNC2)C=CC=C3)=O,AJJLVDSBRQRXFV-UHFFFAOYSA-N
-B28FFED64374DA20_830607EAE49126FC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CCN(C2=NC=C(C)C=C2)CC3)=O,HTJRSYXCXOPCFP-UHFFFAOYSA-N
-B3AFEC22AA7E0EF4_EFCDD69A5F5748F6_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CCC(C3=N[N](C)C=C3)CC4,SUQSVFYAUZSQFM-UHFFFAOYSA-N
-B414F8535D5F6968_26065049F00B1826_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,BTSRUPQYBBRBPM-IZAXUBKRSA-N
-B593D657D1BE93A7_819465D43283DE28_6038_UN,CN(C)C1=C(C(=CC=C1)NC(=O)C2CC(=O)NC(=O)C2)C,HABQKWIBZYBBFM-UHFFFAOYSA-N
-B5DA9A840A8C0A00_3CEB16102D2A21CD_6026_UN,CC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)SC=C3)CC4,KXAQYGFUIOBVTJ-UHFFFAOYSA-N
-B7365426A2DC0D7D_F00CABD14ABECAE6_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CN=C3)CC4,JBGUMGRNOAVGER-UHFFFAOYSA-N
-B78E3E9098613ACA_9FEAB35D7D578FBE_6043_UN,C1(=NC=C(N=C1)C2CC2)N([S](=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4,VHFZZRRWRQFPMA-UHFFFAOYSA-N
-B7B62BB9CABAD886_5F579C0A78A617BA_6029_UN,C1C(CN1[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O)OC4=CC=NC=C4,LAVRFXGIINTGTR-UHFFFAOYSA-N
-B951B53247F4C438_DD3F9A7B56D8C426_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C(=CC(=C4)[S](N(C)C)(=O)=O)C)C,GINZRLSGQBCQAP-UHFFFAOYSA-N
-BA07B9F3E83A3EAD_0F861797508D21B7_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCCOC(N(C)C)=O,VPSFTZRSIQKILR-UHFFFAOYSA-N
-BA52A4B21BFE1CEC_A70EBA1ECFF36EF3_6041_UN,C1(=CC(=CN=C1)N=C=O)NC(CC(C)C)C2=CC(=CC=C2)C#N,NZNJZNNNXOWBKI-UHFFFAOYSA-N
-BAFBDD309ED76680_4F33A50C9AE0A9B5_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,QGUGGJJEZCIILC-CTTUZFCVSA-N
-BC9E7DB505C15FEF_DF334A77F8017A5A_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(CC(OCC)=O)CNC2)C(=O)O3,UMMAUCFAZLMETF-UHFFFAOYSA-N
-BE70FF5C32F4B965_5CBABC38001AAE22_6026_UN,CN1CC2=C(CC1)C(=CC=C2)[S](=O)(=O)N(CC3=CC=C(C=C3)[N]4C=CC=N4)C5CC5,UJHXFZJEDSRWHQ-UHFFFAOYSA-N
-C18761DD5EB9D1EA_B3E698C18B827D0B_6038_UN,CC1=C(C=C(C=C1)N2CCOC2=O)NC([C@@H]3[C@H](N(C)C(CC3)=O)C4=CC=N[N]4C)=O,SJKYIESGTZZDTO-KXBFYZLASA-N
-C6659BF5477ED844_EAAEDE6B2BDFEC94_6038_UN,C[C@H]1[C@@H](C1)[C@H]2[C@@H](C2)NC(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,CLUPHQVUENIUOM-QPKOPYBWSA-N
-C6FBFA4239B2DC14_96AB8C67D2D68C39_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NC=C(C)S3)CC4)Br,ZCXJJWMGTPZCHD-UHFFFAOYSA-N
-C7F2D59B52ECE665_B1C4B87DDDD9982C_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(CC3=CSC=C3)C4CC4,SDMOKRJZPUFPEP-UHFFFAOYSA-N
-C8B02DDF391A3794_53EDBEEE4D62EDB6_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(N(C)C)C=C2)C)=O,BMLXQDSNHMIIIV-LBPRGKRZSA-N
-C90E85003CAFFF52_6842B4483385C9B5_6005_UN,BrC1=CC2=C(C=C1)[NH]N=C2C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,AXONWIWSGGXCHL-UHFFFAOYSA-N
-C98F402A5CE5831B_4A4EC0AEC1628DFB_6006_UN,FC1=CC2=C(C=C1)C3=C([NH]2)N=CN=C3C5=CC=C4C=CC=NC4=C5O[Si](C(C)(C)C)(C)C,UJHKHNKMJJDPRI-UHFFFAOYSA-N
-CBBED483514B5AA2_82081BB833CD3C2C_6039_UN,O(CC1CCN(CC1)C2=C(C=CC=N2)[N](=O)=O)CC5=CC=C(C4=NC3=C(C=CC(=C3)C)S4)C=C5,UFXGCFDCEVVNMD-UHFFFAOYSA-N
-CEDDB7EC6A4FC7AD_43E0958941E4BF64_6041_UN,O=[N](=O)C1=C(C(=CC(=C1)NC2=C(CC)C(=NC3=C2C=CC=C3)C)F)C#N,QOPGFMDSNMLQBW-UHFFFAOYSA-N
-D004E7376D29104F_57BF58EA81DBE4B5_7017_UN,N3([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)C(C(C)N)C4=C(CC3)SC=C4,PZFGRZDPPMPLKP-UHFFFAOYSA-N
-D0EFC556D9DB5327_598D546FA2B3ED3E_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(CN(C)C)(C)C)=O,VOBYZYPUCRBJMV-UHFFFAOYSA-N
-D48BA5E1057B05D3_E3961F12CB850AC6_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC5=CC=C([S](N(C)CC4=CC=CC=C4)(=O)=O)C=C5,ORMBYTRRYXKQFQ-UHFFFAOYSA-N
-D52070C94EE59129_6EDCB876BF771963_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC5=C(OC4=CC=CC(=C4)C)C=CC(=C5)[S](=O)(=O)N6CCCCC6,FXIOKUUHIHOFIN-UHFFFAOYSA-N
-D8EC02A691B250E6_EBACF26B0A28415C_6041_UN,CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NCCC3=CC=C(C=C3)[S](=O)(=O)F,MFLYPOBGZLKIPI-UHFFFAOYSA-N
-DB2F53170035EDF5_467DC796CD5A51AF_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=CC=C(OC4=CC=C([S](C)(=O)=O)C=C4)C=C5,VPHVHAJUUDYJOY-UHFFFAOYSA-N
-DBFB667A9F4596B8_FA96958816AC511C_6003_UN,CCC2(COC1=CC=C(C(OC)=O)C(=C1)OC)C(=O)NC(=O)NC2=O,HODZBNFVZKEXDV-UHFFFAOYSA-N
-DC4EDE5B7F3681DC_BF1B5795B9FCEF0C_6038_UN,COC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)CCC2=O,AAXDLURWKFFCTR-UHFFFAOYSA-N
-DDB1975FE60BCAE6_F520AC95C62858CA_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC(=C3)C#C)(=O)=O,IDRIUTUWNLRCND-QAQDUYKDSA-N
-DE332772287EEFF7_4871DFE88AA93AE7_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=NC=C(C(C)(C)C)C=C2)=O,JXKOHNZFSLSCCQ-NSHDSACASA-N
-DE427C003D27EEFC_647F8D7E34A69A4A_6026_UN,CC1=C(C=C(C=N1)[S](=O)(=O)N2CCC(=CC2)C3=C4C(=CN=C3)C=CC=C4)C#N,UCFGVXUDAQGMSI-UHFFFAOYSA-N
-DEAC72CEC0F2F247_359BE65C47D258E1_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CCC=C(C3=C[N](C(C)C)N=N3)CC4,ZFSVFNNQMLNQIZ-UHFFFAOYSA-N
-DFEBCB6DCA5C71B8_AE4F61D5F91616A5_6031_UN,O(C(=O)CN1C(=O)CNC1=O)CC2=C(OC)C=C(C=C2OC)C,JIQJTXXTFOSKBI-UHFFFAOYSA-N
-E084FF8C1A8FF94D_81A175BFF630DC1E_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C(CCN(C)C)=C)=O,DJFAIGPHRPKSPP-UHFFFAOYSA-N
-E10F3311FCA7145B_6F2712965C72BB35_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)Cl)OCC=C)OC,ZRVKUAQBPHNACN-UHFFFAOYSA-N
-E2842CF09B6D00DF_652B8FB0DE243D59_6035_UN,O(CCCN1C(=O)CNC1=O)C2=C(C(OC)=O)SC=C2C,LDIWOHXAEJNSAX-UHFFFAOYSA-N
-E3151C05FD8CEF63_63F2781425ADA05F_6041_UN,C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NC4CN([S](C)(=O)=O)CCC4,MOZYXAWGPDKBAU-UHFFFAOYSA-N
-E4DA111C0F80EC7F_742BF73722F29F06_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C[N]3C)CC4)Br,RNNNLEGMMNLGRW-UHFFFAOYSA-N
-E575D830027BF40C_3DCF83E2A59EF302_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C(C(C)(C)C)=C)=O,DHRYXGAZXXWYCX-UHFFFAOYSA-N
-E676CE16AED70A2A_6C46CDF49425C45C_6029_UN,N(CC1=CC=C(C=C1)C2CC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,OCSZIPVNEZCPJN-UHFFFAOYSA-N
-E678C9F6277BB653_7D7BDD083EABA136_6029_UN,CC1=C(C=CC(=C1)CN[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=CC=CC=C4,ZTDXENASEZUJDO-UHFFFAOYSA-N
-E8815BCCD1F70609_ACAB7150FE37C438_6035_UN,CCC2(COC1=C(C(OC)=O)C=CC=C1OC)C(=O)NC(=O)NC2=O,QAIRYYVSYOIBOG-UHFFFAOYSA-N
-E9FF1586D445082D_B1BBB98A948C72C1_6028_UN,N(OC1=CC(=CC=C1)C#N)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,HUQBEHQUTLWDJS-UHFFFAOYSA-N
-EADC6CC5DE33B35A_4C8E6ECD63B39639_6029_UN,N(CC1CC(C1)C2=CC=CC=C2)[S](C3=C(C=C([C@H](C)O)C=C3)C)(=O)=O,IOHZYBSNOKWWDG-LYGPFTKASA-N
-EBFE5892A923A7ED_445BB08E9E9E1129_6029_UN,N([C@H]1[C@@H](C1)C2=CC3=C(C=C2)C=CC=C3)[S](C5=CC=C(C4=CC=C([S](Cl)(=O)=O)C=C4)C=C5)(=O)=O,NFJRBXBZWXYYBL-LOSJGSFVSA-N
-EC487E864F00FC1C_6F49C1A2AA27C69C_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,JZKPPNDXXQRLAB-DZGCQCFKSA-N
-ECE093C22D7B07F4_C002CE4B899AAAA2_6003_UN,CN2CC(OC1=C(C=C([N](=O)=O)C(=C1)OC(F)F)F)CNC2=O,SPBDBTLEKCVURG-UHFFFAOYSA-N
-EE0450EECDE2768C_A33B52B9E52D0EF8_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(N(C)C)(C)C)=O,YEUNBHUQUCDEFS-UHFFFAOYSA-N
-EEC830A9257A4D5C_342882660D6242A3_6028_UN,N(C1=C(C=CC=C1)C#N)[S](C2=NC(=C([NH]2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,SVOQGJYLEWGNJA-UHFFFAOYSA-N
-F30B02DF0772E5C5_93925E8818DDE397_6029_UN,N(CC2(CC1=CC=CC=C1)CCCC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,HJUJSFQFERKGCQ-UHFFFAOYSA-N
-F39B3135D4DC2489_CF337CC60DA82A82_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)[S](N(C)C)(=O)=O)F,PGEMJYSSXGFTAO-UHFFFAOYSA-N
-F71448FDE139D88A_661311B81858476B_6038_UN,CC(C)C(CCNC(C1=C(C(C)C)C=N[NH]1)=O)N(C)C,GYXUPZUCBYQPPN-UHFFFAOYSA-N
-F97C4738A3B38194_47DDB726DA4FF0E5_6028_UN,C1C(CN1[S](C2=NC(=NC3=C2C(=CC=C3)F)C4=C(C)C=CC=C4)(=O)=O)OC5=CC=CC=C5,LJLUPGHVNANHCA-UHFFFAOYSA-N
-F9ED95EB9795856F_2B61650489C2691C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)[S](N(C)C)(=O)=O,XDESWJBPRHEISK-UHFFFAOYSA-N
-FAF855EB2BA635EF_19BF0B5D670B19EB_6041_UN,O=[N](=O)C1=C(C=C(C=C1)F)NCC3=CN=C(N2CCC(C)CC2)C=C3,RDCQEAYUBGARLG-UHFFFAOYSA-N
-FB2A86F1B2D8E9B7_42D55668043BA774_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)N[C@@H]([C@H](CC)C)CN(C)C,VTXHXUXSLCLKPX-WCQYABFASA-N
-FC0F819B6D500795_81B0CF6CF28B6D0C_6028_UN,N(CC=CC1CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CUGBXGRELRCVSK-UHFFFAOYSA-N
-FDF3245D01ED8460_9D89C0D8CD9A777C_6038_DP,CSC1=C(C=CC=C1)NC(C=CC3=C(C2CNC2)C=CC=C3)=O,ADBPPGHUPIIAKD-UHFFFAOYSA-N
-FE92127E5E60E3B6_26C19414E43E0499_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CC(CC3=C(C)C=CC=C3)C4)Cl,MFRCKTOMZYWFBZ-UHFFFAOYSA-N
-FF1AB8C82C29D806_7B29FE6F9B2B9382_6003_UN,CC(COC1=C(C=C(C(OC)=O)C(=C1)OC)[N](=O)=O)N2CCNC2=O,TZADHKYZVYZFIR-UHFFFAOYSA-N
-000CBD4A08D916D8_9228840094DB9C74_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2)Br)C=C3,CAOALLLWWGFVTP-UHFFFAOYSA-N
-0065C6C18EBC47A5_41721B23956973F5_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5CCN(C4=C([S](CC)(=O)=O)C=CC=C4)CC5,MENXQAXCQFQFMU-UHFFFAOYSA-N
-00B2364CAF7B7056_89595C563150B295_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,LILMTTWZVJWGJW-UHFFFAOYSA-N
-00E2932F9565CE99_964A2FF7C42658C0_6003_UN,O(CC1CCC(F)(F)CC1)C2=CC=C([S](CC)(=O)=O)C=C2,NKBIVXMRYWJPLI-UHFFFAOYSA-N
-026CBB736C4396A8_3F045B6AFE461836_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CC(C)=C)=O,ROCQANBTKLWUFX-UHFFFAOYSA-N
-04172E3CA34472C0_9E61212D15D0799C_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(OC)=O)C=C2)F)=O,PFSSCWUXNDBXDB-SNVBAGLBSA-N
-04680A0F548BAB0D_11646DFD589D9E8A_6038_UN,CN(C)C(=O)C1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,XQAQMMVUBXRYOI-UHFFFAOYSA-N
-0638F3561C55D0D7_38728AF02F630657_6029_DP,C1CC(CCN1[S](C3=CC2=C(C(=C[NH]2)C(F)F)C=C3)(=O)=O)C4=CSC=N4,PFYUWLANIRTAAS-UHFFFAOYSA-N
-07981ABD80D479A5_FBB9668D6A7D4021_6029_UN,C1C(C4=C(CN1[S](C2=NC=C(C=C2)C3CCC3)(=O)=O)C=CC=C4)C5=CC=CS5,XUMOMRVYAOJEAQ-UHFFFAOYSA-N
-07D8376AC3AB642C_3E54FB02C5A31D89_6029_UN,N(CC1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,PYCPYGHJVXYSNS-UHFFFAOYSA-N
-09A886A04720112F_4A20215B5113FE7F_6027_UN,N(CC2CCN(CC1=CC=CC=C1)CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,GVCLGIXCHSRDSE-UHFFFAOYSA-N
-0AAA5365421775F7_20DEA4BAF522111F_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=C(C=CC=C3)C4CC4)(=O)=O)C5=CSC=N5,UISVDVNNLPVOMH-UHFFFAOYSA-N
-0AF105FA8D50754D_8EDF7255B0B1331F_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=C(CN(C)C)C=CO2)=O)C=C3,ZOYXQAVQGVTIPQ-UHFFFAOYSA-N
-0BCCC998AA620FD8_8BE34202607910DF_6031_UN,CC1=N[N](N=N1)CC(=O)OCC2=C(N(C)C)C=CC=C2Cl,GFIJKRRAEWGVEE-UHFFFAOYSA-N
-0BD055F7D71AA8A3_7564F86A6C23B3D5_6029_UN,N(C1CCC(CC1)C#C)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,WYUQNJMSHSPSHX-UHFFFAOYSA-N
-0C3A9D69337AA109_268D2D28E95E8DE1_6029_UN,N(C1=CC(=CC=C1)[N]2C(=NC=C2)S)[S](C3=C([NH]N=C3)C4CC4)(=O)=O,JDCQXSHLVAEEIR-UHFFFAOYSA-N
-0E2FA213513E268F_3B52E9B2CB6D9ACB_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C=CC2=CC=CC(=C2)OC)=O)=O,OPRZSZIIQBPXQT-LBPRGKRZSA-N
-0E95276EEE313717_013F5B040CB97F05_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(CC3=CN=C(C)C=N3)=O,OPHOLZNKNFAACU-UHFFFAOYSA-N
-0EDAD1F536E49428_DA6BBA010F6B867F_7019_UN,C(CC1NC(=O)NC1=O)=CC2=C(N=C(N(C)C)[N]2C)Cl,JRSWZRBZMNQHOA-UHFFFAOYSA-N
-1092CE295FD4C8EC_0B5D1DB6CA64163D_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC2=C(C)C=CC(=C2)N3CCCCC3,HFFMUJYLOGQWJX-UHFFFAOYSA-N
-113C1A7D22B1125B_1D1E64EF7B4E420D_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC4CCN(CC3=CSC=C3)CC4,ULSVCDGAOSVCSS-UHFFFAOYSA-N
-12188D91BF98889D_70FD66F0F923FFDF_6029_UN,FC1=CC(=CC=C1)C2CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,BVSFPNRPSKVRAE-UHFFFAOYSA-N
-12A4AD079AEE2E2E_58AFE2715C9FDDF7_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3C2=C(C=C(OC)C=C2)OCC3,HJZJTQLWIUTTME-UHFFFAOYSA-N
-13EC04F60D7EB2DF_CB217DF78BE8834F_6029_UN,C2CC1=C(SC=C1)C(N2[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O)C5=CSC=N5,XJEDHNKUERXIBL-UHFFFAOYSA-N
-147A20A7505E8558_1CC076D3085A432E_6038_UN,C[N]1N=NN=C1C2=C(C=CC=C2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,VYRWANTVMMUVEX-UHFFFAOYSA-N
-15D13C7E1AB8CB68_98ED9E8E2CFC3337_6029_UN,N(C1=C(C=CN=C1)C2=CC=CC=C2)[S](C4=C(C3(O)CCCCC3)C=CC=N4)(=O)=O,JHALLSCZZTVFIY-UHFFFAOYSA-N
-180DAE2632C59E34_E6A2473D19F3DF4C_6041_DP,COC(=O)C1CC(C1)C2=CC=C(C=C2)NC3=C(CO)C=CC=C3,IMTLZZQTCIIITA-UHFFFAOYSA-N
-183CF19E6A7671C4_26859DF755806376_6029_UN,FC1=C(C=CN=C1)N2CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,CGYVXBIJJJMYHV-UHFFFAOYSA-N
-18745FF95D8D346A_D299CCC2BAEEEB9E_6029_DP,CN(CC1=CC2=C(C=C1)OCC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,SEOFGCUAWZIXTE-UHFFFAOYSA-N
-18A9245467AE50EE_7B25D87805AD873C_6027_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC3=C(N=C(C)C3(C)C)C=C4)(=O)=O,CTLCOHRUZRCSHR-UHFFFAOYSA-N
-18A9245467AE50EE_7B25D87805AD873C_7015_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC3=C(N=C(C)C3(C)C)C=C4)(=O)=O,CTLCOHRUZRCSHR-UHFFFAOYSA-N
-18B4EDB5D818AE03_0FD75CA3E7E1CAB6_6038_UN,COC1=C(C(=CC=C1)C(NC(=O)C2=NNC(=O)CC2)C#N)OC,QAJWUGDTDWZTND-UHFFFAOYSA-N
-1A1478CAFC5124BD_AED6627BCED3BA44_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,VKTOGLFXIBUOOZ-UHFFFAOYSA-N
-1A59EFBD9EDFEE05_51C457F5E0396C46_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O)C,YTJMKBCBWKVBTL-UHFFFAOYSA-N
-1A83BB2C4C0F8B59_4A1726DFA301BC87_6029_UN,N([C@H]1C2=C(OCC1)C(=CC=C2)F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,KZZFDAZIFUDTMK-MRXNPFEDSA-N
-1C5FBF555A7499DD_1B903B63DAE026E3_6035_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=C(C(OC)=O)C=CC(=C3)OC,LHTSRAWWVBGKSJ-UHFFFAOYSA-N
-1CA6558ADF2A19C3_6D77AE22E5136275_6029_UN,C2CC1=C(SC=C1)C(N2[S](C4=CC3=C(CCCC3Cl)C=C4)(=O)=O)C5=CSC=N5,LEYXANZUTJICHY-UHFFFAOYSA-N
-1EE3BEBEEDBFF1AE_D65A4EAE32DF0AA5_6028_UN,BrC1=CCCN(C1)[S](C2=CC=C(OCCOC)C=C2)(=O)=O,TVNJBUXVUXCMTQ-UHFFFAOYSA-N
-1F214B201CC5073E_388797F3F6501D37_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2)F)C=C3,DGQLKMZGMAVGMA-UHFFFAOYSA-N
-1F99E56453B01B97_12AAA1C1452B8464_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=N3)(=O)=O,NEMGEWHWAZCGFD-UHFFFAOYSA-N
-20351112D408B6FA_EA438A9EB4753D0D_6003_UN,CC4=CN1C(=NCC(C1)OC2=CC=C3C(=C2)CC(OC3=O)=O)C=C4,CSEKSKBAHNIZCH-UHFFFAOYSA-N
-2164DB2A1BD4DBC9_42036B99B3B5EF68_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C=C3)C(Br)(Br)Br)(=O)=O,JKRNUZFXOOYLDY-UHFFFAOYSA-N
-233F17442A497757_83D740379275ABC3_6029_UN,OC1(CN(C1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)C4=C(C=CC=C4)F,ZGJQTWVCWIOLNO-UHFFFAOYSA-N
-23628745050F56E4_03130C9901B63B62_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(OC)C=CC(=C3OC)[S](=O)(=O)Cl)=O,BJZVMJDPXJVARV-UHFFFAOYSA-N
-23DE0C62EBA3B6E6_3800084B0059827F_6038_UN,N(CCN1C(C=CC1=O)=O)C(C2=C(N(C)C)C=CC=N2)=O,VQSGBGFFYBLAFO-UHFFFAOYSA-N
-24536F82A161DF9D_85F1D746F04D4D38_6028_UN,ClC1=CCCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,SKAFGXYJZVYQMR-UHFFFAOYSA-N
-2464FC380FA1F466_BB9582F039F797B2_6026_UN,FC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NC4CCN(CC3=CSC=C3)CC4,SPUVBVRJMABHBT-UHFFFAOYSA-N
-24E4144C73080CBE_7AB0C448851CBB6D_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,QAVITUQCKGXCRJ-UHFFFAOYSA-N
-24FDDB184E418EC3_1281165F47A67447_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C(C)C3=NC=CC=N3)=O,IFUCFXNKKBVNTF-AWKYBWMHSA-N
-25026E8591D237BD_D01C2460965FF99B_6029_UN,C2CC1=C(SC=C1)C(N2[S](C3=NC=C(C=C3)C4CCC4)(=O)=O)C5=CSC=N5,MUMPSWQCLUAJPR-UHFFFAOYSA-N
-268F2B5B69AE9642_D15CA7FBCC4A52AB_6029_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(C(C)(C)OC3=O)C=C4)(=O)=O,PHKHBHQFLUHPEQ-UHFFFAOYSA-N
-269E04C829052ACB_95F123DEF06EF805_6028_UN,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C3=C(OC)C=CC=C3Cl)(=O)=O,LHTHYWWNSXPCJY-GOEBONIOSA-N
-27893B64CED8460C_B0B699E57851B7E1_6038_UN,C[N]1C3=C(N=C1CCNC(C=C2CN(C)CC2)=O)C=CC(=C3)F,JILCVMWXRUDSBR-UHFFFAOYSA-N
-297751CBE7B34465_C0168C032602FA47_6041_UN,CC1CCN(CC1)C(=O)C2=C(N=CC=C2)NC3C4=C([S](CC3)(=N)=O)C=CC(=C4)F,VMEAMQPBJMYNFJ-UHFFFAOYSA-N
-2BA8BBED0D153EB4_F187AE97D6ACD418_6041_UN,F[S](=O)(=O)C1=NC(=CC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,HZPLGMYLZGFBFG-CQSZACIVSA-N
-2BF095EC3B566BA6_8E8E0A17718E9244_6029_UN,FC1=C(C=CC=C1)C2CCN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,HCXKIORJWUSZEE-UHFFFAOYSA-N
-316198BD03C1B6C0_8EF53AC204DD95AF_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(CC(N(C)C)=O)=O,LJANYBQYETWJBL-UHFFFAOYSA-N
-31EC412109FD07BB_46AF4D241006F070_6029_UN,CC2=CC(N[S](C1=CC=CC(=C1)CC(F)(F)F)(=O)=O)CCC2,JIXCHDJZOZIAIY-UHFFFAOYSA-N
-3231BA91E810EB08_030687B2D1C72FDE_6041_UN,C1(=CC(=CC=C1)CC2=N[NH]N=N2)NC4=C(C(OC)=O)C=C3OCOC3=C4,MNXRMVWCOLOTSD-UHFFFAOYSA-N
-3242AE09030EAB8F_4BB29B423E9F4596_6038_UN,N(C2=C[N]1N=CC=C1N=C2)C(C4=NN(C3=CC(=C(C=C3)C)C(OC)=O)C(CC4)=O)=O,RACXYDDZILSHAB-UHFFFAOYSA-N
-33BE50E9E87EF477_F39C4901B3930356_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C3=C(C=C(N(C)C)C=C3C)C)(=O)=O,AIYXEPNKWQRFNF-UHFFFAOYSA-N
-3437D261D05650DC_7A3D5EEB65A4535F_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@H]2CCOC3=C2C=C(OC)C=C3)C4CC4,IHFLIGWYURZHFY-AWEZNQCLSA-N
-3480047D7ABD5F7E_238D5FCC93E23DB9_7019_UN,COC(=O)C2=NOC(C=CC1=C(N(C)C)C=NC=C1F)C2,TZOOHQMVMOXBIL-UHFFFAOYSA-N
-3480047D7ABD5F7E_31916FD1E273802E_7019_UN,COC(=O)C2=NOC(C=CC1=C(N(C)C)C=NC=C1F)C2,TZOOHQMVMOXBIL-UHFFFAOYSA-N
-3610C22B6F09794F_F9F813B96B354E97_6029_UN,OC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,NTYDNBFXYIVIQX-UHFFFAOYSA-N
-37693B043149641F_41F050BDFC87F733_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)OCC)(=O)=O)C4=NC3=C(C=CC=C3)S4,DPFMXKGDOCWKOS-UHFFFAOYSA-N
-38212C281FDA9288_0A8C5AB857641CD7_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)NCC(CCC)=O,ZWFLTMNMWHTUGV-UHFFFAOYSA-N
-383389679F099430_70BEBAC1D876022C_6027_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC3=C(N=C(C)C3(C)C)C=C4)(=O)=O,LXCGUERLQKKROB-UHFFFAOYSA-N
-383389679F099430_70BEBAC1D876022C_7015_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC3=C(N=C(C)C3(C)C)C=C4)(=O)=O,LXCGUERLQKKROB-UHFFFAOYSA-N
-392DC40F7F8545A7_E800C82E76D9C4B2_6038_UN,CC(C)C(OC(=O)CN1NC=C2C(=O)N=CN=C12)C(=O)N(C)C,BGUPOHJTBBKKSO-UHFFFAOYSA-N
-3A2F3A79241F1009_D73DEC53E0286777_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(COC)C=CC=C3)=O,USAATQORNNAMRN-UHFFFAOYSA-N
-3ABC8B43514228F8_57CBBF32F5E88505_6029_UN,ClC1=CC3=C(C=C1)[N]2CCN(CC2=C3)[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,REHOXEYXLAQSOO-UHFFFAOYSA-N
-3B2ABD20CD539534_EE52D1DB881C114D_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C(=CC3=CC=CC(=C3)OC)[N]4N=NN=C4C)=O,SLJHSOVMSMDNOF-UHFFFAOYSA-N
-3DA7986A03D72142_392AB31C000615B6_6029_UN,ClC1=NC(=CC=C1)N2CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,AEKVWCMBBMEAMB-UHFFFAOYSA-N
-3DAD9B3AE6E04794_FB907D0D132066E4_6029_UN,C1CC(CCN1[S](C3=C[N](C(C)C2=CC=CC=C2)N=C3)(=O)=O)C4=CSC=N4,TZBKBGCPBZOJCG-UHFFFAOYSA-N
-3DBDE593E15B2D2A_26A9F9398405FD89_7015_UN,N(CC1CCC(F)(F)CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,CFWBOWUUDSSJFG-UHFFFAOYSA-N
-3E3AB43CE739022A_80F4C2A8DABCC0DC_6029_UN,CC1CC(CN1[S](C3=CC2=C(N=C(Cl)C=C2)N=C3)(=O)=O)C4=CSC=C4,GIDOMKXHXJJWMH-UHFFFAOYSA-N
-3F5E98CEFDA3E4B1_89B3B8D8B65F43D2_2267_UN,CC1(C)CCC(O)(CC1)C#CC2=C([S](F)(=O)=O)C=CC=C2,GLSGJTYXHAETDR-UHFFFAOYSA-N
-405F264EAB475BBE_E0435A55989CDBB0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(OC)C=C2)F)=O,PTAOYZDQPMFMNH-VIFPVBQESA-N
-406AC9EE7964E150_99342169F34C0243_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC([C@@H]3[C@H](N(C)C(CC3)=O)C4=CC=N[N]4C)=O,RZGJEAPEITXKJN-FTRWYGJKSA-N
-415A0B139E2B83A1_CA5E2F23E0CEF912_2267_UN,C(#CC1CC1)C3=CC=C([CH]=[C]2C(O[C](C)(C)OC2=O)=O)O3,NLIYRUYKKSLPMA-UHFFFAOYSA-N
-4229C48D995CE3CB_4E879B372A10F72C_6035_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=C(CC(OC)=O)C=CC(=C3)OC,YWQOZUPPTIORIG-UHFFFAOYSA-N
-43922A6BD585F14C_6351C2205C3F64EC_6041_UN,CCN(CC)C1=NC(=CC=N1)NC2=CC=CC3=C2OC(C)(C)CC3=O,LUPQNKLTHOKQHY-UHFFFAOYSA-N
-43AA256ABBAB6585_0B761998C0E56F42_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F)[NH]4,PIRGXKDBQAXOMY-UHFFFAOYSA-N
-44F56F1CD6B5109C_F2EE4A630C791717_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=CC(=C(OC)C=C3)C,UJLYQMWWLNLYBS-UHFFFAOYSA-N
-46EEFFBC21CB6BF2_3E1CE81DE74F313A_6041_UN,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)NC4CCN(C3=CC=C(CC)C=C3)CC4,VLSZKRJDSNUYLM-UHFFFAOYSA-N
-4705AA727C9CF865_A97E7B30D30B5B01_6009_UN,C1(=CC(=O)NC1=O)C3C(N(C2=CC=C(N(C)C)C=C2)C(C3)=O)=O,HLORYTYCOBEMNK-UHFFFAOYSA-N
-4778173F276264C7_C32B8714A06A81F2_6028_UN,ICC1CCN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,FIWWOUZOYBKLFG-UHFFFAOYSA-N
-480490167868F3B3_5856A59BB234065A_6039_UN,CCC2=C(OCC(NC1=C(C(O)=O)C=CC=C1)=O)C(=O)CC2,VYEDKQGJXBSJSF-UHFFFAOYSA-N
-488E60773059DDD9_9550DE34D84F3409_6029_UN,C1CC(CCN1[S](C3=C[N]2C4=C(N=C2N=C3)C=CC=C4)(=O)=O)C5=CSC=N5,UPZHDQWSNRWSRX-UHFFFAOYSA-N
-49CAAF1C1BF11F86_E7C5D4E107C2F7AA_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3)CC)=O,JQZVPCRACXBRJD-UHFFFAOYSA-N
-4AC831F6152404F3_1A7F372C8C024A79_6041_UN,SC1=CC(=CC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,FECSKSVZKUZNQP-UHFFFAOYSA-N
-4AC831F6152404F3_D40ED9FF7E88412E_6041_UN,SC1=CC(=CC=C1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,FECSKSVZKUZNQP-UHFFFAOYSA-N
-4AE7260845036876_3D371628C849DA18_7017_UN,N3([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CC(N)(CC3)C4=NC=CC=N4,VMKUFQPPSFDSSZ-UHFFFAOYSA-N
-4BEC95C52946C662_51A9891B08B2DDC5_6028_UN,ClC1=C(N=CN=C1)N2CCN(CC2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,ZKUSURANYFVHMV-CQSZACIVSA-N
-4BEDCD1D3D3961B2_31E4673A465B23DA_6003_UN,CCC3=C(OC1=CC=CC=C1C(NC2=C(C(O)=O)C=CC=C2)=O)C(=O)CC3,NOUGTFUWVUZXOJ-UHFFFAOYSA-N
-4DEDBDDC6836B022_43A7B1A8821A15EB_6038_UN,CC3=C(OC(C2=NN(C1=CC=C(C)C=C1)C(CC2)=O)=O)COC3=O,ZIOFWIVAYMITLO-UHFFFAOYSA-N
-505697580A7EB3FD_D8D6700E7BCF2385_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,PCZYMWXWXHIWCJ-GFCCVEGCSA-N
-52C60539123712E8_8BDC8504930B8026_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(F)C=C2)Cl)(=O)=O)C3=CC=CC=C3,ZFBHEEQHEAXWJM-UHFFFAOYSA-N
-539CD4374A8F6BFA_61BE33DA43004AF0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C5=C(OC4(C3)CCC4)C=CC(=C5)F,UTXJCJYCSCLZID-SFHVURJKSA-N
-53FC6B5B77214936_7A9321E6B23D9106_6038_UN,N(CCN1C(C=CC1=O)=O)C(C2=CN=C(N(C)C)C=C2)=O,ILSSORRRVSMIBQ-UHFFFAOYSA-N
-5555E4C773523DEC_59F8207C684C57AC_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=CC4=C3N=N[N]4C,SCCVJZLSUHAVAR-UHFFFAOYSA-N
-5736A0F1C46C31C5_F61D5B9B5A78E193_6003_UN,CC3=C(OC1=CC=C2C(=C1)C=C(C(O)=O)OC2=O)C(=O)CC3,MWJOADLPTQCNTQ-UHFFFAOYSA-N
-57DC1B4A2A9F5F95_56DACAB252E4DA79_6029_DP,N3C[C@@H](N[S](C1=CC=CC(=C1)C2(O)CC2)(=O)=O)[C@@H](C3)C4=CC=CC=C4,IEBOIGZYQXGSPE-ZWKOTPCHSA-N
-5BE533C2A2231BD0_DD4591FC36A69D78_6031_DP,N2CC(=C(F)C(=O)OCC1=C(OCCOC)C=CC=C1)C2,JUZIRTPAOSOJPT-UHFFFAOYSA-N
-5BF8DD49B392A0B5_EED9EA7FD7776DDA_6038_UN,CN(C)CC1=CC=C(C=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,PQLUDENFZRLLJI-UHFFFAOYSA-N
-5C9F82AA35802360_19698ADE1CEB8352_6029_UN,ClC1=CC2=C(C=C1)CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,SAZUARYHFNCBJQ-UHFFFAOYSA-N
-5EC7FDC460146C82_4BBD54DB6F18C7FA_6034_UN,CO[C@@H]1C[C@H](NC1)C2=NN=CN2CC3=C[N](=CC=C3)=O,VPNYCYCGGIOQJF-NEPJUHHUSA-N
-5EDF6F899C3EBB53_92B361C441A70F02_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)F,AGGQPFCPEKRCBZ-LLVKDONJSA-N
-6091D0DCB35E9F57_7BCD160E080C7C6E_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C4C=C(C)C=C[N]34)=O,NYYUIQLTGFZHMO-MRXNPFEDSA-N
-6104681ACF35EC65_A8C50CA527749160_6029_UN,BrCC1CCN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,QIZYEXSPXSAIHI-UHFFFAOYSA-N
-61079C3F98FBEDBB_11E0F25A8FED75E3_6028_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C3=NC(=CC(=C3)C)C)(=O)=O,PNJMKAXXGBTGBF-UHFFFAOYSA-N
-616C0239755143E9_0C5176057413950F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC3(CCCC3)C#C,DOYGAUJJTDZIPK-UHFFFAOYSA-N
-618535EF459BAA20_80A38BF1F138B6DD_6029_UN,FC1=NC=CC(=C1)N2CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,YODAPIORJFDBDZ-UHFFFAOYSA-N
-6250A5B2DE6242CD_801A149E64CD3F58_6041_UN,C[N]1N=CN=C1C2=CC(=CC=C2)NC4CCN(C3=N[N](C)C=C3)C4=O,BGQJMXZLMZSUAY-UHFFFAOYSA-N
-63F42F40777B5B1D_BB23E2B74E4F8289_6029_UN,CC2=CCC(N[S](C1=CC=C(C(C)(F)F)C=C1)(=O)=O)CC2,XNAYNQOSNLGQKN-UHFFFAOYSA-N
-6430542746EFECF9_DF35A07F87D5B759_6029_UN,BrC1=CCN(CC1)[S](C2=C(CC(CC)N=C=O)C=CC=C2)(=O)=O,NZJMZVHJDSRYLH-UHFFFAOYSA-N
-6627D5CB8B27DFF9_61B171C6BEF4435D_6029_UN,ClC1C=CCN(C1)[S](C2=CC(=C(C=C2)[N]3C=CC=N3)C)(=O)=O,JCVZPUOGYGCHMS-UHFFFAOYSA-N
-662F8C06DD19F56B_54E07DE7E0FC5440_6027_UN,FC1=CC(=CC=C1)[CH]=[C]2CC[N](CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,UBRDLQLYKLWZSQ-UHFFFAOYSA-N
-669624344977C42B_69E7B1C9357F2163_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2=CC=CC=C2)NC3(CCCC3)C#C,UJDJIQBCPCHOKQ-UHFFFAOYSA-N
-685BAA1CAC92A4B5_7EBE7656BC106453_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,CIXJPMCZPREZGD-UHFFFAOYSA-N
-689658ACD7394F79_133B1EA7E56364B1_6038_UN,N(C2=C(C=C1C=CC=CC1=C2)C#N)C(C(C(C)C)C3=N[NH]C=N3)=O,BTQRDJGIBSNQMJ-UHFFFAOYSA-N
-6A149F45CE8102D0_3F6F982216CFD6B9_6041_UN,O=[N](=O)C1=CN=C([NH]1)NCC2(ON=C(C(OC)=O)C2)C,RXSXBYWOVGMXLW-UHFFFAOYSA-N
-6C0C64F01BEEBA65_8BB3502BAFF37DCC_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C2=CC=C(C)C=C2)(C)C)=O,OXHGDBKJLXPHJB-ZDUSSCGKSA-N
-6C311CB0D8556A13_ACD33DCA297E7D4C_6035_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=C(C(OC)=O)C=CC=C3OC,RTWKBHMOVVPTPE-UHFFFAOYSA-N
-6C8B0A170515D029_4C5C6351E6171F54_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,VYFUCCSREABZSN-UHFFFAOYSA-N
-6DCD1F17FDB0B661_7E598731D58BED7B_6038_UN,CC3(C)CC(NC(C(C)N1C(=O)CCC1=O)=O)C2=C(C=CC=C2)O3,ZUXMZPFQWFDQCW-UHFFFAOYSA-N
-6EE01B3D4FCC5AAC_CDD51E6165DC00F7_6028_UN,BrC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,ZLYGXXWMBIVIJR-UHFFFAOYSA-N
-6EE4F699D24B45D5_1BBDA8AABBF98208_6029_UN,N(CCC1(F)CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CPDIEZHWFUGCTP-UHFFFAOYSA-N
-6EEF4FE52965B18E_CE4CBFB11DC9E860_6029_UN,FC1(CN(CCC1)[S](C3=CC2=C(C(C)(C)CO2)C=C3)(=O)=O)C4=CC=CC=C4,PQWSJEMOKRXMNN-UHFFFAOYSA-N
-6F047FB394D4C786_7753A0C6F3D85D29_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC3=C(OC(C)(C)C=C3)C=C4)(=O)=O)C,CDRZCXGKHIWOKT-UHFFFAOYSA-N
-70B85E7B504DFC3A_C56481594EF3904C_6038_UN,COC1=C(C=C(C(=C1)NC(=O)C2=NNC(=O)CC2)C(=O)N(C)C)OC,KFOSWQWPCGWFIF-UHFFFAOYSA-N
-720CFF1217C2C5BA_159748BA705A807B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(COC)CC4=C(OC3)C=CC=C4,WSKACNBFLFJNGZ-UHFFFAOYSA-N
-727317AD41D77170_DEDFA3F895D2B85A_6038_UN,CC3=C(OC(C1(CC1(C)C)C2=CC=CC=C2)=O)C(=O)OC3,DNBDZGZKBHFZQH-UHFFFAOYSA-N
-7317869BC37F2DB6_00848FC8177B5DD7_6029_UN,FC1=CC(=CN=C1)N2CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,LPWQCBBJZVJIIX-UHFFFAOYSA-N
-7331DBF74BDCFFDD_174FF5C0CF0AD2B9_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C(OC)C=CC(=C4)C[S](=O)(=O)C,RZNKXCDHWHGROB-UHFFFAOYSA-N
-74F37CEE125381F2_37FBC32580C733B3_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=CC(=C2)[C@@H](C)O)(=O)=O,ASDLPULSCAFBQB-LLVKDONJSA-N
-7796A4BD2B7CFF23_DAA48122423D287C_7015_UN,N(C1=CC=C(C=C1)C2CCCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,POBRQTWWFYKQIU-UHFFFAOYSA-N
-78329A4DD316DD3E_1BEAD2691A8D9513_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=CC=C(N2CCN(CC)CC2)C=C3)F,HKTVYSFKULXFTA-UHFFFAOYSA-N
-7869A08DA98C6283_D556CA8A2CB8B691_6029_UN,FC1=CC(=CC=C1)CC2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,ABABZRNBTSCDOT-UHFFFAOYSA-N
-7A3C3C7E68553A37_34B6D59CF9EA3D85_6039_UN,CC2=C(OCC(NC1=C(C(O)=O)C=CC=C1)=O)C(=O)CC2,UCHZKSIIHQJTCV-UHFFFAOYSA-N
-7A52FB19328BFD8D_DCF1DE1E8D1C9904_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC([C@@H]3[C@H](N(C)C(CC3)=O)C4=CC=N[N]4C)=O,FKOIYARCBUBZPS-KNBMTAEXSA-N
-7A6524C714F91291_EA1A3038FC7A4D14_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,PRAQOPKFFYRCGP-UHFFFAOYSA-N
-7CE6CF8E7538F3D7_6B00D09552D759DA_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)N(C)C)F)=O,SWPCHJCUXAGGMR-LLVKDONJSA-N
-7D7AE1AB9DE45DE2_D10DD68BE96FCEE5_6038_UN,COC(=O)C(NC(C1=CC(=C(B(O)O)C=C1)F)=O)C[N]2N=CN=C2,CQWBTOWMRWXELQ-UHFFFAOYSA-N
-7EC93E704D08710D_29777B566873E687_6031_UN,O(C(=O)C1=C(C=CC(=C1)C2CC2)F)C3=C(C)OCC3=O,CZTWIBPDYSYTTR-UHFFFAOYSA-N
-7F0A37482D8C0A7F_E1222F13663462EB_6031_UN,CC1=N[N](C)C=C1C2=NOC(C2)C(=O)OCC3=C(N(C)C)N=CC=C3,FRAJGABEFNZKLN-UHFFFAOYSA-N
-7F5E77D920C934B6_92536CCE2FD48639_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=CC2=CC(=C(OC)C=C2)F)=O,TUPLKFPEFVJMLU-NSHDSACASA-N
-7FCE088C564D3D87_E2230F09C6459663_6031_UN,CC1=N[N](C)C=C1C2=NOC(C2)C(=O)OCC3=C(N(C)C)C=CC=C3,IMAFKXQEPHQBGU-UHFFFAOYSA-N
-805849B6BD6C356D_AFCCD9DB666EF65C_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)N=C4C=CC=C[N]34)=O,BMRLJVORDNZQDT-MRXNPFEDSA-N
-829E4DCDE927A292_8C7800B73740E12C_6031_UN,C[N]1N=NN=C1SCCC(=O)OCC2=C(N(C)C)C=C(C=C2)Br,CFALOPOSRZCEAB-UHFFFAOYSA-N
-854D864D1563CE93_2EE1E2FFA8973857_6029_UN,C1CC(CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C4=CSC=N4,ZVFOWTVAPDKOMP-UHFFFAOYSA-N
-85B8C9B9ECBEEFE1_55B8FE30CFCBB716_6041_UN,CC1=NC4=C(C(=C1)NC2=CC(=C(OC)C=C2)N3CCOC3=O)C=CC=C4[N](=O)=O,FQQQPESOWBBFEC-UHFFFAOYSA-N
-87C2CAF34CAF3324_7C5BABE560C55BD3_6028_UN,Br[C@@H]1CN(CC1)[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O,UGYFWIZESDLXKY-RYUDHWBXSA-N
-87CF9D8509E6F719_C9D948420A830090_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,DCPIFOVBCFADIX-UHFFFAOYSA-N
-88CEAF45FC7F5632_2432DCF86EC7853D_6041_UN,F[S](=O)(=O)CC1=CN=C(C=C1)N[C@@H]2CCOC3=C2C=C(OC)C=C3,PFOGEHPRMKDHCO-CQSZACIVSA-N
-8926E82685AD8D27_E1C56A6CD8EA8BB4_6041_UN,F[S](=O)(=O)CC1=CN=C(C=C1)N[C@H]2CCOC3=C2C=C(OC)C=C3,PFOGEHPRMKDHCO-AWEZNQCLSA-N
-895B3875E269E85F_8AECD67B985B3AC9_6031_UN,O(C(=O)C1CC(=O)NN1)CC2=C(N(C)C)N=CC(=C2)Br,HLFXHVVAIXOMAO-UHFFFAOYSA-N
-89D906691AFC74DB_1DB620F9F8003811_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC3=NN(C)C(C3)=O,BIDMQBHUZUTNDN-UHFFFAOYSA-N
-8BA012F29533031E_FB16B5D02D064160_6003_UN,CC(=C1C(=NC(=C1C)C)C)OC2=CC=C([N](=O)=O)C3=C2CNC3=O,NAAUHNVXQBYFCZ-UHFFFAOYSA-N
-8C1C885782828920_B96AE61D9C80A9D3_6035_DP,N1CCC(CC1)C(C)(OC2=C([S](C)(=O)=O)C=CC=C2)C(F)(F)F,IHFYWEWIMYNWMV-UHFFFAOYSA-N
-8CBBBE5D0BCB6CE6_97AA21427E700DF7_6028_UN,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C3=C(OC)C=CC=C3Br)(=O)=O,SBPBIJSOYVOZMA-GOEBONIOSA-N
-8DD790BC1F84EF4E_0054C59156B08381_7019_UN,CN2C(=NC1=C(C=CC=C1)C2=O)C=CC(C)CC3=CC=N[N]3C,IWDIAELDZSNZDS-UHFFFAOYSA-N
-8F76BF65061E68B3_9BA894A873F6361C_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(Cl)C=C2)Cl)(=O)=O)C3=CC=CC=C3,QLRUGNNOQQCIKV-UHFFFAOYSA-N
-8F9BFE5999599A1D_630CBC501C7EC49E_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C(C[S](C)(=O)=O)C=CC=C4,XXLAWQYPMSBGGJ-UHFFFAOYSA-N
-8FE88320F97584A3_8467C40D9E988520_6041_UN,F[S](=O)(=O)C1=NC(=CC=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,HZPLGMYLZGFBFG-AWEZNQCLSA-N
-90713F57D6720E5A_859A89D4877C9863_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]3CCOC4=C3C=C(CC)C=C4,PMJBDLNHJJIRKD-LJQANCHMSA-N
-917859469D035BB2_66EBD7CB11A0AEED_6029_UN,C[N]1C(=CC=N1)C=C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,XLGHPACOEDPYJV-UHFFFAOYSA-N
-91C5B9134AE3A5FE_DCC33972A6934D1E_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC=C2)C(C3(CCC(OC)CC3)C)=O,GKSRITMMIUGUTK-UHFFFAOYSA-N
-921D43E8A2EE0C4B_2813D13837678318_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4)F,YBYGJKUSXKSOEF-UHFFFAOYSA-N
-937B4EF236600D9D_26933E2B82372658_6003_DP,N2CCC(OC1=CC=C([S](CC)(=O)=O)C=C1)(C2)C(F)(F)F,XMYSQCHXJRZKAK-UHFFFAOYSA-N
-9473BF87D321E61C_1B5033CCD1C6204F_6038_UN,CC(OC(C1ON=C(C(C)(C)C)C1)=O)C2=NN=N[N]2C,DXXBGZHQSJKMNW-UHFFFAOYSA-N
-952337A0D327E328_13071D78B93DC3E1_6029_UN,C1CN(CCN1[S](C3=CC2=C(C=C[N]2C(F)F)C=C3)(=O)=O)C5=C4SC=CC4=NC=N5,MPVFOXWJZBTTKR-UHFFFAOYSA-N
-9697D3F9D610E904_63C66632BCB2A6C3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,MDCKZCZJUOMFOO-KRWDZBQOSA-N
-9845D440A59B5027_271EB9A9F11DDB25_6035_UN,CCOC(=O)C#CC(C)OC1=C(OC)C=C(C=C1)C2=NN=N[NH]2,YOHKDCYFLUAIIC-UHFFFAOYSA-N
-98CC5CDD3F744602_AE3DB19229E1732D_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C([C@@H](C)O)C=CC=C3)(=O)=O,KYBDQOLEQKAHNM-CQSZACIVSA-N
-9A3CE1B4BAE31682_9D78BD18FE7D1F70_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(C(OC)(C)C)C=C2)(=O)=O,MWPLYLBWSANVIJ-UHFFFAOYSA-N
-9B9A82049690BBDB_18DC03BD9BDAB80E_6038_UN,CC3=C(OC(C1(CC1(C)C)C2=CC=CC=C2)=O)COC3=O,NDQIXDFDCQGGQM-UHFFFAOYSA-N
-9BB4F670B3AA9AF2_71CD91F8E2059FFF_7019_UN,CCOC(=O)C2=C(C=CC1=C(N(C)C)N=CC=C1)NC(=O)NC2,ICDLEYKRTBAJFW-UHFFFAOYSA-N
-9CB9741D19B589B2_542F40B0EA309450_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)SCC4,FYFUUYZYXCRPET-UHFFFAOYSA-N
-A069A0D7B498058A_5AFE36C01C45738E_6029_UN,COC1=CC2=C(C=C1)N(CC2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,NCHNEQLASVSDKE-UHFFFAOYSA-N
-A16E9D81696B02F0_F93E1E450BE7AC28_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C(C)SC3=NC=CC=N3)=O,WWJWXIRLMOBQPO-AWKYBWMHSA-N
-A1EE31CBF0830C94_36228A7A69969FD5_6029_UN,N([C@H]1[C@H](CCC1)Cl)[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O,YVYNIHACGMAJNE-ZWKOTPCHSA-N
-A33C340271FDAE2A_D2E532C5764FA709_6029_UN,CC3=CCC(N[S](C2=CC=C(C1(F)CC1)C=C2)(=O)=O)CC3,SKRBPCDCFRAFQO-UHFFFAOYSA-N
-A38432CDD4068E90_22222BAC7C9A7F1C_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C=C(C)C=C3C)C,XHPKHMHZEDKFSX-UHFFFAOYSA-N
-A3B525DBC9C9296E_8809DAF1E4C25FDF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2C=CN=N2)NC(C)C3=CC4=C(C=C3)CCCC4,UQBUDUAHOZXQMU-UHFFFAOYSA-N
-A5C2278036681692_29C497942447E76B_6038_UN,CN(C)CC1=CC(=CC=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,UAPNGSFYAQJLHD-UHFFFAOYSA-N
-A63796CAB921CDE9_913675152B9C345E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC=C(C(OC)=O)C,CRRRSQSAZOUBOT-UHFFFAOYSA-N
-A7637988927EAC71_19CEB7615068914F_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CN=C(N(C)C)C=C3)(=O)=O,SFOUWMHDOHMDMM-UHFFFAOYSA-N
-A82F73EFD364230C_4AE5DE1C8B0AE52B_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2OC)OC,BPFSIHCCAHTTKJ-UHFFFAOYSA-N
-A83250B469C893D3_553E955BC1D70BCC_6038_UN,CC(OC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=C(C=CN=C2)C,VXWSKCGBNGKENL-UHFFFAOYSA-N
-A83383CB47E00929_567412200A446832_6041_UN,COC1=C(C2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C[S](C)=O)OC,KQNMDXJSNRGVQT-UHFFFAOYSA-N
-A8357C6038C0E989_FE629E7E6364CEBD_6009_UN,C1(=CC(=O)NC1=O)C3C(NN(CC2=CC=C(OC)C=C2)C(C3)=O)=O,NAIXNKXYYJYRTN-UHFFFAOYSA-N
-AB5E066E594FC73A_01C01ECFE58B4744_2267_UN,OC(=O)C(CC#CC1=C(C(O)=O)C=CC=N1)N2C(=O)C=CC2=O,QETUWHRCZZWSEA-UHFFFAOYSA-N
-AD4FEC05D5B7FC65_414C248BCE9473EC_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3=C(OC)C=CC(=C3)C,AOFCVECBAPKTCV-UHFFFAOYSA-N
-AEA6E62EEFD1A734_19317D03D5FDBC53_6031_UN,O(C(=O)C1=NNC(=O)CC1)CC2=C(N(C)C)N=CC=C2,XSANQNGVLFLECR-UHFFFAOYSA-N
-AEB93539EB61B65B_DFADB3970165EC9E_6029_UN,OC1=CC2=C(C=C1)OCCN(C2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,RLBCSNSJGVASSV-UHFFFAOYSA-N
-AEF6C82E85F9F9D6_8343FA56B7F1BE96_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)CC(C)=C,YXZSHMMIQBCLGX-UHFFFAOYSA-N
-AF5E9D6509F536CF_80ED7852E25B08DC_6028_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=NC(=CC(=C3)C)C)(=O)=O,WAFCVRZUVBWPBL-UHFFFAOYSA-N
-B0ACE5C7B19ACBC6_C357400688271193_6028_UN,CC(C)(C)C1=CCN(CC1)[S](C2=C(OC)C=CC=C2)(=O)=O,YFXGFFZKRXZRFQ-UHFFFAOYSA-N
-B0ACE5C7B19ACBC6_C9A4DDF1E8070FC1_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=C(OC)C=CC=C2)(=O)=O,YFXGFFZKRXZRFQ-UHFFFAOYSA-N
-B217FB72567A8D3D_3A1581989B1E5494_6029_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C4=CC3=C(C(C)(C)OC3=O)C=C4)(=O)=O,OSQNQGHNBCRIIU-UHFFFAOYSA-N
-B2AB12620E9C5C51_42002FC932B9395C_6041_UN,O=[N](=O)C1=C(N=CC=C1)NC2CC(C)(C)OC3=C2C=CC=C3,KGOBKYSPSQLLGJ-UHFFFAOYSA-N
-B3857392C034954B_403F4CC4F98E4EC8_6038_DP,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3C4=C(CN3)N=CN=C4)=O,WJBGZYUQZYFMFY-LBAUFKAWSA-N
-B40DF27EA2C1651B_D50FB29C6FBE179D_6029_UN,OC1=C2C(=CC=C1)N(CC2)[S](C3=C(C)C=CC(=C3)C4=N[N](C=N4)C)(=O)=O,LMJQJQGZNZSLJJ-UHFFFAOYSA-N
-B4F7DAAB680944A1_C7934D832CD19CFA_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CCC2)C3=N[NH]C(=N3)C4=CC=CS4,CAURMYKUGBFANZ-UHFFFAOYSA-N
-B80E44F4B3CCC65D_512C23FB26D97851_6029_UN,FC1=CC(=CN=C1)C2=CCN(CC2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,CKWOMFWOKXYBRA-CYBMUJFWSA-N
-B82ED61D8C2E9813_B1E6E7A198DCC143_6028_UN,C1CC(CCN1[S](C2=NC=C[N]2C3=CC(=CC=C3)Cl)(=O)=O)C4=CSC=N4,WCFDLWLAKRDELK-UHFFFAOYSA-N
-B873A06DCA4F57F4_A7EC5AEF15A9D71C_6041_UN,OC(=O)C2=C1N=CC=CC1=CC(=C2)NCCC(N3CCN(C)CC3)=O,HQGIGOSBZHXINK-UHFFFAOYSA-N
-B9B862AF2C30AC76_447237971CA72152_6038_UN,CC1=C(C=C(C=C1)NC(=O)C2=CC=CN3C2=NCC3)[S](=O)(=O)O,UCKABRAGGKFXQU-UHFFFAOYSA-N
-BA23AF4D0A112759_876484467C6E7491_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)OC)F)=O,KAAMTEFSJBCYJO-SNVBAGLBSA-N
-BE55205677E70EFD_5DE8580AD2A376BF_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=C(OC)C=C(C=C4)C[S](=O)(=O)C,FUKHZBHNPBEZDQ-UHFFFAOYSA-N
-C00A1EE9F3EA08F6_A89A0A764BE40D6F_7019_UN,CC3=C(C=CC2=CC(=C(N1CCN(C)CC1)C=C2)F)C(=O)OC3=O,LOOXYNLTZGSCCK-UHFFFAOYSA-N
-C1B2A92C4438B2E9_D2E30B03FDC4C675_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(N(C)C)C=C2)F)=O,DFQSUTJJXGFJPS-SNVBAGLBSA-N
-C21D70B646F3B160_624D0C9DC9C52A60_6029_DP,N1CCC(CC1)C(CN[S](C2=CC(=C(F)C=C2)F)(=O)=O)C3=CC=CC=C3,KFBVUAYZNQKAHW-UHFFFAOYSA-N
-C2C58BD999CDAD7F_E48D06A210DEACC1_6003_UN,O(C1CCC(F)(F)CC1)C2=CC=C([S](CC)(=O)=O)C=C2,ZIMIMVTVBOMKLD-UHFFFAOYSA-N
-C2E2E3EF6B9F2A3F_41F63A6994934F39_6038_UN,CC1=C(C3=C(C=C1)[C@H](NC(C2=CN=C(N(C)C)C=N2)=O)CCO3)C,CEXVVJWRZQZFGD-CQSZACIVSA-N
-C3BD3D8AD3A64E22_314BD7A2E762FCE7_6041_UN,FC1=C(C2=C(C=C1)OCO2)NCC4(C)CN(C3CC3)C4=O,JVIRQDCRMLFMIK-UHFFFAOYSA-N
-C6E25A4B7D85D04B_EE01325492FE2945_6038_UN,C[N]1C(=NN=N1)CNC(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,DIPXMAHMNGMXKQ-UHFFFAOYSA-N
-C6E5C4117D46FE33_7D94C6B9BDC0F001_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC3=C(C(C)(C)CO3)C=C4)(=O)=O,WBKICNHSQJAOTQ-UHFFFAOYSA-N
-C75D39CC5C602F76_79D4CF2E2B2D3DF7_6038_UN,N(C1=CC2=C(N=C1)NC(=O)CO2)C(C3(C(N(C)C)=O)CC3)=O,VXCGDRWAWAHQHR-UHFFFAOYSA-N
-C7B0E0143DE9E382_93E698841F401273_6038_UN,CC(C)[C@H](NC(C1=CN=C(C(OC)=O)C=N1)=O)C(=O)N,WXDCKSSICTYKNP-VIFPVBQESA-N
-CA98EEE35CAC46A9_A947503E87574E12_6031_UN,CC1=NN=N[N]1CC(=O)OCC2=CC(=C(N(C)C)C=C2)F,PKMQCUTZNUYTIW-UHFFFAOYSA-N
-CD17DF87EAF0C0C0_87742EF946C15478_6028_UN,N(CC1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,OQTMZMNSIGNBLD-UHFFFAOYSA-N
-CD256C7B52E003A4_7580A310D6177A68_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2F)OC,CAGKFGHAGIPRRL-UHFFFAOYSA-N
-CDDDFD31BF015B49_414033AD00BC9B4C_6029_UN,FC1=CCCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,HNFJSJHPYMPUCF-UHFFFAOYSA-N
-CDDDFD31BF015B49_570E992A08B9F0CC_6028_UN,FC1=CCCN(C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,HNFJSJHPYMPUCF-UHFFFAOYSA-N
-CEFF45EB13DAB4EB_6D9D1171C83E93E4_6029_UN,FC1(CN(C1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CN=CC=C4,CKMCLACLFZQLET-UHFFFAOYSA-N
-D084F2892055D9E1_7287AA98DF1D0C26_6036_UN,C1(CC(C1)(C#N)C2=CC=C(C=C2)F)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,ZWPSCQGOQDKXLD-UHFFFAOYSA-N
-D0C4D1CBCB0DEA89_960540A63549F142_6039_UN,CC2=C(OCC(NC1=C(C(C)=O)C=CC=C1)=O)C(=O)CC2,VDFLSAUCMQOIHD-UHFFFAOYSA-N
-D1A471B4D7EF76CC_2D7B66D13E3709CF_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C3=CC=CC(=C3)C(O)C4=CC(=CC=C4)F)(=O)=O)C=CC=C5,NTEDKNYYHKOGDX-UHFFFAOYSA-N
-D207AFBF4A18B975_2F4015B13BF950F0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4C3=C(C=CC(=C3OCC4)C)C,MDCKZCZJUOMFOO-QGZVFWFLSA-N
-D2ADDC59A9DDFA3D_2EB7DEF5F6A535B7_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C=CC2=C(C=C(OC)C=C2)C)=O,XDDZVWSJTGFVDC-CYBMUJFWSA-N
-D51ABC5E756DD18A_BC8F350DB6C5117A_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4CN([S](C)(=O)=O)CC4,HZNCSFYIWGBFCN-UHFFFAOYSA-N
-D5C051CCCD408AA6_C3AA64366627E680_6003_DP,N2CCC(OC1=CC=C([S](CC)(=O)=O)C=C1)(CC2)C(Cl)(Cl)Cl,YKNYTVOSKKCURX-UHFFFAOYSA-N
-D5F1F3D84EC37655_30489F3EBD183B22_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NCC3=CC(=C(C(OC)=O)O3)C,GEAAIOQDJWNMKF-UHFFFAOYSA-N
-D607137B2CCA01BA_4ED0DBA9E48B8B31_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC(=C2)F)C(=O)C3=CN=C(C=C3)N4CCCC4,QFRDMNLLGKYLSP-UHFFFAOYSA-N
-D69C65A42E8B8C50_1FAD4CF07CD81680_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(OC3=CC=C(C(C)=O)C=C3)C=C4)(=O)=O,QKWJQIYASZSLTB-UHFFFAOYSA-N
-D6D8D1A8A7FAFC82_B600F8B0EDAFEA76_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(OC)C=C2[N](=O)=O)C=C3,VHWIUVSYJHPJFT-UHFFFAOYSA-N
-DA73E7CCF1A06169_C7CC30EFE068BE18_6028_UN,C1CC(CCN1[S](C3=CC(=C2C=CC=CC2=N3)C)(=O)=O)C4=CSC=C4,DYTOFDNGPAAIRJ-UHFFFAOYSA-N
-DAC16462A195C10D_D8F567E96AD4ACAB_6029_UN,ClC1=NC(=CC=C1)N2CCN(CC2)[S](C3=C(CCC)C=CC=C3)(=O)=O,FSAZOVZDCAIJIP-UHFFFAOYSA-N
-DACF4ECEA6783F1C_8212516C6A6E0194_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,MHPZMJRMIAXPAY-UHFFFAOYSA-N
-DC8433B4C926C64F_FE61A5340CD0CB50_6038_UN,CN(C)C1=C(C=C(C=C1)F)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,PGRHMKUVTWYEBR-UHFFFAOYSA-N
-DE71C80DFCA6C48D_8E6DF76E768563C6_6038_UN,CC3(C)CC(NC(CN1C(C=C(C)C1=O)=O)=O)C2=C(C=CC=C2)O3,BROPPTRPMYJZDU-UHFFFAOYSA-N
-DEA1C7F5F719AC85_918BF15347956C1D_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C=C(C=C3)C#N)[N](=O)=O,WVUAMHNZTXUBQQ-UHFFFAOYSA-N
-E159F4C8B2F547EF_0F3429F3889BF948_6029_UN,N([C@@H]1CC[C@H](CC1)C#C)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,WYUQNJMSHSPSHX-MQMHXKEQSA-N
-E186D4A18D6A6BC4_38A9DD8F71B6C45F_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C(OC)=O)C=C2)F)=O,QMWHRXUCMHDGMD-SNVBAGLBSA-N
-E25CF00347FE78DB_EEDE27D2B27BB046_6038_UN,NC(=N)C1=C(C=CC=C1OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)F,WCDRUWGWEPRJQD-UHFFFAOYSA-N
-E3ACBEC58030E54E_2541A571C7FF306A_6003_UN,CC4=CN1C(=NCC(C1)OC2=CC=C([N](=O)=O)C3=C2N=CC=C3)C=C4,ZGTADZSFUHBWNI-UHFFFAOYSA-N
-E3C4526D56FCD625_A80DB1C133931B8A_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(OC)C=CC=C3)(=O)=O,JKIQKEZNKDZGQX-UHFFFAOYSA-N
-E46CC02ACD47E851_91ADDD6A7CA1223F_6029_UN,C1CN(CCN1[S](C2=CC=C(C=C2)[N+]#[C-])(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,FQUCBLVTPMMLPH-UHFFFAOYSA-N
-E4BD517E7E807D8D_31B1DC71B9C68893_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4=C(C=CC(=C4)C5=N[NH]C(=N5)C)C,RWTFPRANNVLVFB-UHFFFAOYSA-N
-E4CD8CF499071E12_4F4F22D799E28697_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NC4CCN(CC3=CSC=C3)CC4,WVONWUGFZXQAFO-UHFFFAOYSA-N
-E61F4AF129644F99_70A200D56294EA1A_6038_UN,CN1C(NC(C(=C1)CNC(C=CC(N(C)C)=O)=O)=O)=O,RFLZSMNLSCXZPY-UHFFFAOYSA-N
-E67C18C7491C8C6D_882D551B52DF4777_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCC#CCN(C)C)[NH]N=C2,ROOKZAWKQSIMDJ-UHFFFAOYSA-N
-E6987D19CA2C0608_E5237A059CFAF5DF_6038_UN,O(C1CC(C1)(C#N)C2=CC=C(C=C2)F)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,OXLXWRLJHCVFRK-UHFFFAOYSA-N
-E7900F96EAB75519_7874A3FD36EB10B1_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(OC)OC)=O,JYZWLZYZTZEOAE-UHFFFAOYSA-N
-E8A4208A4BBAD371_1CB6856378647FBD_6038_DP,N1CC(=CC1=O)OC(C(=CC2=CC(=C(OC)C=C2)F)C)=O,MHLUKUSXVJLHIB-UHFFFAOYSA-N
-E935B2E39A5F9EB9_766072D6709E086B_6028_UN,N(C1(CCC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,XTXMFDZWDVXLCB-UHFFFAOYSA-N
-E9383CFDA4BB2460_3FC41DDD6208B6F2_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC(=C2)Br)N3CCC(C)(CC3)C#N,IQKHADDHRZCUFN-UHFFFAOYSA-N
-E9A0B027329A7E47_C50155BDBEA3791C_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2)Cl)C=C3,ZVQMCWOCXPJAJK-UHFFFAOYSA-N
-EA3EEAA9336DB5B1_E820C117DDAE0319_6038_DP,CC2=C(OC(CC1=C(C(O)=O)C=CC=C1)=O)C(=O)CC2,NYPOKQLTHNSOCA-UHFFFAOYSA-N
-EAD89791B98C240F_BDB3182D5F87910B_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C(C)C[N]3C=CC=N3)=O,MTXFNPPYDZHOPV-BZSJEYESSA-N
-EC5853E5B41B9F09_7771A1378EF23BEE_6029_UN,C1C(C4=C(CN1[S](C2=CN=C(C=C2)C3CC3)(=O)=O)C=CC=C4)C5=CC=CS5,KOPHVEGWPFMVOS-UHFFFAOYSA-N
-EC5B15C0CF0B700E_EBC9E9A70CF0F21C_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=CC(=C2OC)OC)OC,MQKXLABLOFIOLW-UHFFFAOYSA-N
-EC9738A5DB1ED044_A68B3AC0DC118DCB_6038_UN,N(CCN1C(C=CC1=O)=O)C(C2=CN=C(N(C)C)C=N2)=O,HHJMZHGMQATGNR-UHFFFAOYSA-N
-EE3579220C834970_B932CDF479FE606E_6029_UN,CC2=CC(N[S](C1=CC=C(C(F)(F)Br)C=C1)(=O)=O)CCC2,MZUIDTZPNARFTA-UHFFFAOYSA-N
-EF3109547D942F3A_C5955A770ACED899_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C(C3N=CN(C)C3)=O,LADNZTZWLDSUBN-UHFFFAOYSA-N
-F285A343A73CEC96_23F399E9B4F5598C_6029_UN,N(C1(CCCC1)C2CC2)[S](C3=CC=C(CCC)C=C3)(=O)=O,QGUZPZOHQXLBSP-UHFFFAOYSA-N
-F364D066EF967991_72579EADDA730020_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3C2=C(C=C(OC)C=C2)OCC3,LSPFGIIOYCDRHI-UHFFFAOYSA-N
-F39EED0616F6E78E_E25899549AA27297_6035_DP,N2CCC(COC1=C([S](C)(=O)=O)C=CC=C1)(C2)C(F)(F)F,CFPFTXAMELHMLQ-UHFFFAOYSA-N
-F41980616539E24C_B4BD8459A517A003_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NC3=CC=C(N2CCC(N(C)C)CC2)C=C3,CGITUVBCQCMOKX-UHFFFAOYSA-N
-F4553B2B31564603_B7BAD56EEAEA8C57_6035_DP,N2CCC(OC1=C([S](C)(=O)=O)C=CC=C1)(CC2)C(Cl)(Cl)Cl,CXYJYTKXOZQWAL-UHFFFAOYSA-N
-F4E506EDC08187E4_8BF5776D3313BF88_6028_UN,C1CC(CCN1[S](C3=CC(=C2C=CC=CC2=N3)C)(=O)=O)C4=CSC=N4,WUIMEQXKXHSTCN-UHFFFAOYSA-N
-F5C7780ECEB7ABF6_48EF86ED5D959A2F_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4CCN(C3=CC=C([S](CC)(=O)=O)C=C3)CC4,WJAINYMZPUPJIO-UHFFFAOYSA-N
-F5E80BA33B468ED3_E043B65FDEC15441_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@H](CC)C(=O)N(C)C)C,NYAMDSMYSCREPG-CYBMUJFWSA-N
-F70551FB29759C53_0D9DA201DE7525E9_6038_UN,C[C@@H](NC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)CC3=C[N](C)N=N3,AFXUQXGSPGKLSJ-LLVKDONJSA-N
-F86E36C8938BFD2C_FFA8B7290D3C4C21_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,XZGQBXPUKRPHBN-UHFFFAOYSA-N
-FA246D12C73B4C87_2D1610F47D39BDA6_6029_UN,C1C(CN1[S](C2=C(C=CC=C2)C3(CC3)C#N)(=O)=O)C5=NC4=C(C=CC=C4)S5,VFLYCYOSIBPFIS-UHFFFAOYSA-N
-FB5C13AD73DF11F3_5342307256CBDF91_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3ON=C(CC)C3)=O,FACKPVMZQKVSBZ-MLCCFXAWSA-N
-FBFDA54198F75CC4_71FB47BBA7D0C63D_6029_UN,CC(C)(F)C1CCN(CC1)[S](C2=C(CCC)C=CC=C2)(=O)=O,BWDMNIJYYCJCNP-UHFFFAOYSA-N
-FDC7C03ABA1C1B29_2F4F3ED427C2E53A_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(N=C(OC)C=C3)C)(=O)=O,VQXXHBDMPZAISG-UHFFFAOYSA-N
-FFAD393D6FBCEEB9_73B2AA70CA663B41_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CCCCC3)C4=CC=CS4,PCOOVPBBDXSUDE-UHFFFAOYSA-N
-rxn:2:111489:78354,CN1CCN(c2cc(N3CCC(Nc4cccc(N5CCS(=O)(=O)CC5)c4)C3)ncn2)CC1,BLAAFAULESCOGS-UHFFFAOYSA-N
-0148F7B98E6F4112_E965B5DD39C9D5A8_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=C(SC)C=CC=C3)(=O)=O,OFRKJMQKACQGKV-UHFFFAOYSA-N
-02FB88C519975F29_53C5427FA2E2A76B_6038_UN,CC3=CN1C(=NCC(C1)OC(C(C[S](C)(=O)=O)C2=CC=CC=C2)=O)C=C3,MVFPIUQIMXCXEJ-UHFFFAOYSA-N
-061868E5C36EF6A8_485DB6F5A09759EF_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@@H](C)C(=O)N(C)C)C=CC=C2,HDPAJLWRNRUPFU-JTQLQIEISA-N
-083A59545E1ADFC7_1A84EA6DADA00B7E_6031_UN,CCC(CC(=O)OCC1=CC=C(C=C1)[S](=O)(=O)O)C=C,CYCJHHINSMHQMA-UHFFFAOYSA-N
-09550FFE029F3E25_9ACA74B50B38A931_6038_UN,CC1=CSC(=N1)C(NC(=O)C2COC(=O)O2)C3=CC=CC=C3,MGCDVMIGZKATJH-UHFFFAOYSA-N
-09F7694EA9880539_2C50554F0CB23364_6029_UN,OC1(CN(CCC1)[S](C2=CN=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,IVDGDXUWNGJSBP-UHFFFAOYSA-N
-0A932AB4F4D3F726_9367D2118478F15A_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,HZQCZNGRFWPJOW-CYBMUJFWSA-N
-0BE2EFD19A5D9AF4_C42F07BE05D6C352_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4([S](C)(=O)=O)CCOCC4,VHVIZSIDORKJLY-UHFFFAOYSA-N
-0C703832D025D1E2_9A80BE1C1932A1C2_6036_UN,CC1=CC(=CS1)CN([S](=O)(=O)C2=CC=CC=C2)C3CNC3,MMRFTOVQGURKCC-UHFFFAOYSA-N
-0D2963E03F7293BF_1FD15BDC1ED9F6E7_6041_UN,CN(C)C1=NC2=C(C(=N1)NCCC(N(C)C)=O)C=CC=C2,WMMFEAJBAQBLQS-UHFFFAOYSA-N
-0E6BDC08C9560F44_84D32B4E623815A8_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@@H]([C@H](CC)C)C(=O)N(C)C)C=CC=C2,LMUHSUIYPIKHQS-WFASDCNBSA-N
-0E9E53BA2445EB0F_64819DCD6ADDA40B_6026_UN,FC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)Cl,VSKYOEFTFXOJFA-UHFFFAOYSA-N
-0F0381D70EAB08DD_ADFBBD0611EF910D_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,RHNMXWZLGHZHLB-LSDHHAIUSA-N
-0FCB546AFA0A175F_AFA5A61773A624FD_6038_UN,CC(C)[N]1C=NN=C1COC(CC2OB(O)C3=C2C=CC=C3)=O,DNAXQZODKLAJNP-UHFFFAOYSA-N
-10AB3D6BB3B8A6D9_C7F37C439A76E151_6034_UN,ClC2=CC1=C(N=CN=C1Cl)N2CC3=C([S](C)(=O)=O)C=CC=C3OCC(F)(F)F,NMXIHSNOSGPRRM-UHFFFAOYSA-N
-10E1793490EAAD6C_7F4DD1969F8EFF5B_7022_UN,C1(=CN=C(C=C1)Cl)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,LMAJRWROZUPPRF-LOACHALJSA-N
-119CCCE68008FC95_E6FE57E688841610_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,WGUQYBFPRFLGNY-RRQGHBQHSA-N
-138A9513B6F5CE94_DA9C35FDA712D241_6028_DP,O[C@H]4C[C@@H](N[S](C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)(=O)=O)C4,CQQHNDSALRVFDU-IYBDPMFKSA-N
-14391DBFE5D61A30_E2E71C08A677250B_6029_UN,CC1(CC(C1)N[S](C2=C(C=CC(=C2)Cl)C3CC3)(=O)=O)C4=CC=CC=C4,QEAPIPCWZXZKSO-UHFFFAOYSA-N
-148CF3598C46A682_FD4C3CAC7711635B_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(CCC2=NN=C(C(C)C)O2)=O,SWQGLTZYDLIWRT-UHFFFAOYSA-N
-14ED49A5953589F3_700BEE5F941FAE59_6031_UN,O(C(=O)CSC1=NC(=NO1)C2=CN=CC=C2)CC3=CC(=C(OC)C=C3)B(O)O,BEPAXAIJQBNDEN-UHFFFAOYSA-N
-15DAB52DC6715614_C1A69185011EBD7A_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O,VMCJIBXJJOQTIT-UHFFFAOYSA-N
-170D7EC5573B2372_7DA3F2835F2C945D_6029_UN,C1C(CN1[S](C2=CC(=C(OC)C=C2C)C)(=O)=O)OC3=CC=CC=C3,OUFKGBGZEHUVSS-UHFFFAOYSA-N
-1767343DA47C2833_14B09A72E95FAAB3_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O,ZMJRYIVLXHYMAX-RTKIROINSA-N
-176FBF4C503C8B23_F59EF861FBF32EAF_6038_UN,CC(OC(CC(CCC)C)=O)C(=O)N(C)C1=CC=CC=C1,PXIGVEKYZQPQRC-UHFFFAOYSA-N
-18000660E7FF72E9_0919CFF3D3B25A99_6041_UN,CC(=O)C(C#N)C1=C(C=CC=C1F)NC3(C2=NN=C(C)[NH]2)CC3,GSVKTIQHPHXDRJ-UHFFFAOYSA-N
-192EEEC21B7E50A9_478B5C473B4D7367_6029_UN,C1C(CN1[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,AQPKISQLIMCHLM-UHFFFAOYSA-N
-1A3C9A0FFA54D7F6_2D9820417FAB6274_6029_UN,OC(=O)C1=CC2=C(N=C1)C=N[N]2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,ALTYNJOHYHXXAV-UHFFFAOYSA-N
-1C7242E2D1D4864D_6A597197238ED037_6038_UN,O([C@@H]1COC(=O)C1)C(C(C(C)(C)C)C2=CC=CC=C2)=O,KBPJREUVZXBOOH-NBFOIZRFSA-N
-1CCE902D6D0C7394_B454C5A830C93BC6_6029_UN,C1C(CN1[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,FFVKNRIGBTXUBJ-UHFFFAOYSA-N
-1CEF80A4C4B9E524_5EEF5D4B1D1DA2C6_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,CCUJVSRKNGSIAC-UHFFFAOYSA-N
-20AB071999D75207_96A07625B145FDF8_6038_DP,OC[C@H](NC(=O)C1=COC(=N1)OC2=CC=CC=C2)C(=O)O,HWDXQFAZIGATGX-VIFPVBQESA-N
-20B0B56898C3B4EE_00695D97FFE4DDFD_6029_UN,C1C(CN1[S](C2=CC=C([C@H](C)O)S2)(=O)=O)OC3=CC=CC=C3,NFWWCPQVVLYAQV-NSHDSACASA-N
-20FC44FE4DAC77AF_DEF587BE277EA33F_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CCC3)C4CC4,OGWJURSVGWTLQM-UHFFFAOYSA-N
-2127ED451F6DB8FD_6B384DE6B83DBCFA_6028_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ZPPBYSUMNRUVMR-UHFFFAOYSA-N
-2165BDEDDADA49FB_8E8655EEF765F105_6038_UN,CC4=CN1C(=NCC(C1)OC(C2=CC=CC(=C2)C3([S](C)(=O)=O)CC3)=O)C=C4,NEQGXYHXWNSEMO-UHFFFAOYSA-N
-2230384AD60C6630_CC9B0F5C468C5AD1_6038_UN,CC(OC(=O)CC1=N[NH]C=N1)C3=C2OCOC2=CC=C3,NJTUTJKRNQMVHD-UHFFFAOYSA-N
-23BD8F026D02A2AC_3EC74B974E3F72A4_6029_UN,N([C@H]1[C@@H](CCC1)OC2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,QNWFZYHAUMLNKP-RTBURBONSA-N
-24B5E040B87AA33F_78239FDD375AE093_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C([S](C)(=O)=O)C=C4)F,UTVJKEMPWIWYFO-UHFFFAOYSA-N
-24BA9BC44B9230AC_DC0D6F1837282DE1_6035_UN,CC(OC1=C(C=CC(=C1)[S](=O)(=O)Cl)Br)COC(=O)C=C,FKXHLDNSOYAXFU-UHFFFAOYSA-N
-26290F1EE00C5130_FFF6EC6B2516B237_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,XIRVOFWKPOVGDJ-UHFFFAOYSA-N
-27AED78636AB155C_FBF12258936B2B24_6038_UN,CN(C)C1=NC(=C(C=N1)NC(CCC2=CN=C(N(C)C)C=C2)=O)N,MAQMOJHAQKDPRG-UHFFFAOYSA-N
-27F165A84CA29140_96B277037217EFF4_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(C)CCO3)C=C4)(=O)=O,CUNFGOHVAJJYGE-UHFFFAOYSA-N
-2E03DC1CB801D64A_3B392C6BB265A566_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CC3)C4CC4,GBVFXFAQLDNRTL-UHFFFAOYSA-N
-2E40010356AD3988_FEE8FC7841C05D79_6038_UN,N(C1=CC2=C(C=C1)OCCC2=O)C(C3=CN=C(CC(C)C)C=C3)=O,WXXUYLASRXHJRS-UHFFFAOYSA-N
-2E81B56CF4B740BE_CC241309797759EA_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C([C@@H](C)O)C=CC=C3)(=O)=O,AOTPOIYMYGNBAB-CYBMUJFWSA-N
-2F88232ADB605E73_E9F5C3B7F23FDF98_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O,XSTKMPHXKGKHTH-UHFFFAOYSA-N
-31E50B114764C0DE_FC9ACB6AC3F92E7C_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,SAVMPJXFQQSRFS-PVCZSOGJSA-N
-32D419BD7E96A3DD_5A92EE39F6E6DACD_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3)F)F,CLVUGKOOHPBKRJ-UHFFFAOYSA-N
-34C4FFF2B072F940_91FE3174BD2E2858_6029_UN,N([C@H]1C[C@H](CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,WTGQLNWCSQITIS-FUHWJXTLSA-N
-354F2566DCA01AD2_C368FB14BE22A3A9_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4=CC=C(C3(C)CC3)C=C4,NUMVQQJEUBVHBJ-UHFFFAOYSA-N
-35C8821B521FFDBE_AA6FCD7F59758649_6031_UN,CC1=C(C=CC(=C1)[S](=O)(=O)Cl)OCCCC(=O)OCC3=NC2=C(C=C(C=C2)F)O3,LHJGOCPFULNPEC-UHFFFAOYSA-N
-369657F2E1F4E292_D9CD91B3884680E4_6028_UN,N(C(C1CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,PRBKZDFYPWITJV-UHFFFAOYSA-N
-37230C839BFB2A7E_6A483E5D56199006_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,NIOIDFRIEMNGQY-UHFFFAOYSA-N
-38961B2F7D40199A_3012DA78B287CC7C_6038_UN,COC1=NOC(=C1)CSC(=O)C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4,AQILUMBECPEJAA-UHFFFAOYSA-N
-38C09048D4739273_904DF4457D268EAB_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCC(CC3)C4=CSC=N4,FYIFTHNYTSCDGN-UHFFFAOYSA-N
-392B1D7179F1F1C1_FFCDEA4D02FE09BE_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O,YVAHBBILAZSDOO-HNNXBMFYSA-N
-3CB963B8D9DB1F4D_D11A97978FEF874C_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,NZGDYEMFRBWMIQ-LSDHHAIUSA-N
-3E62F99E13C2C96C_E3674B408E096DA5_6038_UN,CCC(OC(=O)C(=O)CCC1=CC=CC=C1)CCC#C,RZQPKOMETRHIBM-UHFFFAOYSA-N
-3E803E4C8AF5B664_11782D551AD414F8_6026_UN,ClC1=C(C=C(C=N1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)Br,JOFCDPAEFQJJMI-UHFFFAOYSA-N
-3FF62437395D7E61_098F11F62924D8D4_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(C)C=C2)C)CC3)F)Br,HXWNWQHUMBACII-UHFFFAOYSA-N
-4127223E9C757CD9_2AEB1108F05C4F01_6041_UN,C2(=NC1=C(CCC1)S2)NC(C3=NN=C(C)[N]3C)C4=CC=CC=C4,FOSAVKUIMPCQEJ-UHFFFAOYSA-N
-4127223E9C757CD9_CC4E90F0ED056225_6041_UN,C2(=NC1=C(CCC1)S2)NC(C3=NN=C(C)[N]3C)C4=CC=CC=C4,FOSAVKUIMPCQEJ-UHFFFAOYSA-N
-41436286715E92D4_871D588794F2C167_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)I,NYHJMXRIKDYYFR-UHFFFAOYSA-N
-419C844C0CBF95A1_41B55F65BD58177F_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(N(C)C)C2=CN=CC=C2)=O,MQPMJUNPUOFFSZ-RWANSRKNSA-N
-4332C0ACE894914C_E86673FD88A48D47_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,WTGPFPPOPXMNOA-UHFFFAOYSA-N
-43FFFC1B92E327BC_91D354C6F8C0569E_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)Br,UKUXBFOEYLORQL-UHFFFAOYSA-N
-440B4344FD4C97E9_25BFFCBE36154D83_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC(C(OC)=O)CC3=C[N](N=C3)C)F,UJEKMVAHHMPGPU-UHFFFAOYSA-N
-44AD15231C94C154_119ECE38BF2B05B5_6029_UN,O=[N](=O)C2=C1CCCN(C1=C(C=C2)Cl)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,QRANKGPHGPRMOF-UHFFFAOYSA-N
-44B02926765E299C_3CF12A5092222763_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC#CCN(C)C,YPBSOQGWSJPFNO-UHFFFAOYSA-N
-46321C651F3D13C4_F39284C379C03B18_6031_UN,O(C(=O)CCC1=NC(=NO1)C2=NC=CC=C2)CC3=CC(=C(OC)C=C3)B(O)O,UBZDFYVMZVAHSK-UHFFFAOYSA-N
-46825F247E947607_9CBE647E7DBB008F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3(ON=C(C)C3)C)=O,VNUGXGQBQOJXOB-XPCCGILXSA-N
-4704AD4BBE04BD22_F20B6D181BE6E7AB_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(=O)C3CCCN3C(=O)C4=NC=CN=C4,UBVUCQHWPWZOOA-DUSLRRAJSA-N
-47B928BCD1A69597_755230E004932FD5_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,XATNBFQXSFNXFD-PZSOTVQYSA-N
-49F35052CD4AFB72_571EF54B42F66D43_6027_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,IJMSJTOUAXMORS-UHFFFAOYSA-N
-4B03495AAE23CB1A_D2275FF41A049759_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(OC)C=CC=C2F,YTKZFXJETAWUJW-UHFFFAOYSA-N
-55015271DAF61FDD_E94F13AE0EE8FA66_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=CC(=C2)SC)(=O)=O)C3=CC=CC=C3,BTCATONRXBPVRA-IAGOWNOFSA-N
-5588CD53EE3AFA0D_0940A1D991746572_6026_UN,FCCOC1=CC=C(C=C1)[S](=O)(=O)N=C2N(C)CC(N2C)=O,ZMEQRDQGDMLQPX-UHFFFAOYSA-N
-59095FB1693F4470_E1AB35E60179ADCB_6029_UN,OC1(CCN(CCC1)[S](C2=CC(=C(F)C=N2)C#N)(=O)=O)C3=CC=CC=C3,ZKMUTVBIYLEVAS-UHFFFAOYSA-N
-5C92BB7DC4CF5E13_B191546221234806_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=CC(=C2)OCC)F,DRERNEJDAIMHSL-UHFFFAOYSA-N
-5E5628F587E03BA1_2406CC95AD3EF9B7_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC(CC)C2=C(C=CC=C2)OCC(=O)N(C)C)[NH]3,BNESAPFZJCCXFX-UHFFFAOYSA-N
-5F9013AC31275D42_04DAD5ECC065C0F8_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=NC2=C(CC)C=N[N]2C=C3)=O,AMVQKBXJQQUITK-UHFFFAOYSA-N
-64456B701826D6CD_A3514A211B7FAD29_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC3(CC3)C4CCC4,NZRLAMYSODYUIT-UHFFFAOYSA-N
-64F5A8901A40F608_860787A9FB1F47D2_7019_UN,C(C1=C[N](N=N1)C2CC2)=CC=CC3=C(C=C(C)C=C3C)C,YOECBCJJFBKNAZ-UHFFFAOYSA-N
-66D08501BB0ADCB6_2697D733A1955EB0_6038_UN,O(CC[N]1C=C(C=N1)[N](=O)=O)C(C2(C(N(C)C)=O)CC2)=O,YWMMLSYVVWTEPW-UHFFFAOYSA-N
-672871A756FAFAC1_FA5F4CAB20690A0A_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(SC)C=CC=C3)(=O)=O,SDFNMRWEBDGYRH-UHFFFAOYSA-N
-676AEC9725F03034_42CEC3ADEF2A4DFB_6038_UN,OB1OCC2=C(C=CC=C12)OC(C4=NC3=NC=N[N]3C(=C4)C(C)(C)C)=O,SXSXHTYAIVPZCR-UHFFFAOYSA-N
-6797F87DA3E44A6C_5DD96CACAF4528CA_6028_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,YJNZDVJCMJHJHV-UHFFFAOYSA-N
-6862546D57C15C9B_6A11B9CE2670DE22_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=C(C(C)C)[N]2N=CN=C2N=C3)=O,YLDNRZNSDJXUBK-UHFFFAOYSA-N
-6936092FE14F6037_365CAFD3EA0B37BE_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC(CC3=CC4=C(C=C3)OCO4)C(=O)O,CTUSCOSQJDGBAL-UHFFFAOYSA-N
-69BE6B866B1F69EB_6CF91CC99C0C3448_6029_UN,OC(=O)C2=C1[N](N=NC1=NC=C2)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,AFJWLYVNPNJBSM-UHFFFAOYSA-N
-6A570D8FB8FEA392_A7B9BA7A62FBBC14_6038_UN,N(C1CC(N(C1)O)=O)C(C3=N[N](C2=C(C)C=C(C=C2)F)C=C3)=O,NFZRNNURGITEEV-UHFFFAOYSA-N
-6ACA89B16D34950F_C3CF51108469B6AE_6038_UN,O(C1=CN=C(C=C1)[S](=O)(=O)F)C(=O)C2=CC=CN3C2=NCC3,LXQWBAVUXVQIBG-UHFFFAOYSA-N
-6AF92D9094EF804B_C5590C35FC04B7F1_6029_UN,N([C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,WGONFOFTKOTANV-IZAXUBKRSA-N
-6C1F09BC5FDBBA16_38694841805D9712_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,LEOLLKIGESMQPH-HOTGVXAUSA-N
-6CA2D9B8234FC07E_B70F7278F167BE11_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=CC(=C3OCOC3=C4)C(OC)=O,PIGPKFQBUPYQBX-UHFFFAOYSA-N
-6E027DF81CFCDC74_D927EC062C1B4F30_6029_UN,N(=C(N1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)Cl)(=O)=O,JRAJDEKHUDDPEN-UHFFFAOYSA-N
-6E63F4104DC93A09_A072329CE0177539_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(CC(C)(C)C)O)C=C3)(=O)=O,BNWHKGFSXXUETJ-UHFFFAOYSA-N
-72178775A88339B1_C5F03FBC33FDEBAB_6028_UN,C[C@@H]1C5=C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4CC4)(=O)=O)C=CC=C5,SEEZUZFFUQVAHB-GFCCVEGCSA-N
-7240DFDB7B9CAF1D_CFD2DE694C8F6037_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,OCHYKKYSOFSBSN-UHFFFAOYSA-N
-73359455413587F9_95D655114EFCAF07_6038_UN,CC3=C(OC(=O)CC1=CSC(=N1)[N]2C=CC=C2)COC3=O,OBPHMXBEQLVCGG-UHFFFAOYSA-N
-734018F288951011_A540297B9C0D3101_6038_UN,O(C1=CC2=C(C=C1)CCC2=O)C([C@H](OC)C3=CC=CC=C3)=O,IUPCRUKGFVIAGX-QGZVFWFLSA-N
-73E8C45EC3829850_FDC85D187FE705DB_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)NCC3=CC=C(N2CCN(C)CC2)C=C3)C#N,BBICXALUJPWCDC-UHFFFAOYSA-N
-7420337F1F525E3F_CC9A410D911012B8_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,NPYVGLDGASNDGC-UHFFFAOYSA-N
-744E8F0E7D8BFB5B_10B95DDE212F63B7_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC(CC3=CSC=N3)C(=O)O,DKMNPFLZSIREAY-UHFFFAOYSA-N
-74B0A2A5A899CF57_121E3BB53ADB6B30_6027_UN,N([C@@H]1C[C@H](C1)OC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,MKONPLWESDBUOD-JCNLHEQBSA-N
-771815B7DAAF138C_F476FEF413349C93_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)I,MLNKSDHYHCINAU-UHFFFAOYSA-N
-7786ACFD88F4A32F_D0394C29762B68C6_6038_UN,CCC2=CN=C(COC(=O)CCN1C(=O)C=CC1=O)S2,MXXYNCJYORYXNX-UHFFFAOYSA-N
-7ADB2F987780021D_6A0CCF7B8114E1AC_6038_UN,CC(C)(COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CCC#C,LOLJVMRKGOFOFJ-UHFFFAOYSA-N
-7B4FC52E2CA8F983_BD90DB41C47C9306_6038_UN,C[C@H]1N(CC[C@H]1CNC(C(C)[N]2N=NC(=N2)C3=CC=CC=C3)=O)C,OSDKRPAYTUSMSC-JHIQODARSA-N
-7C9DB6DE945BC342_51893F7256FD6B4D_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C3=C(C)N(C)C2=NN=N[N]2C3C)=O,OXSIVYKVYFNICG-UHFFFAOYSA-N
-7E32118C5A048A62_A9D4088F7408CCB0_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O,LNQIRFXVCRJPNN-UHFFFAOYSA-N
-7F9881038B67F0BA_96D17F68E5B76931_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CCO4)(=O)=O,ZXXOCEUFMQDGRB-UHFFFAOYSA-N
-7F9B0FBBE6EAB3AD_F68413F227640757_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=C(N3CCN(C)CC3)N=CC=C4,CSXTYWSIOLFVMK-UHFFFAOYSA-N
-81D5A6B1B1C9C2CB_E7017D6EE48667A3_6029_UN,N([C@H]1[C@H](CCC1)C2=CC=CC=C2)[S](C3=C(C=C(C(C)C)C=C3)Cl)(=O)=O,RHNZLCGIOAGWCX-IEBWSBKVSA-N
-824092F8AE94DAFC_4E641D4E23473C28_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C)C=C2)C)CC3)F)Br,BOPBTNSIWLPZLU-UHFFFAOYSA-N
-830DC4CCB1336AEF_3F13FF2E59755A22_6029_UN,N(=C(N1CCCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3Cl)C)(=O)=O,DLSNSSPQHDVFNZ-UHFFFAOYSA-N
-85185C6B2163B595_758B88693321C99B_6028_UN,CC1CCN(CC1)C(CN[S](C2=CC=CC=C2)(=O)=O)C3=CC=CC=C3,RMHHFUVIIRTUFM-UHFFFAOYSA-N
-859441E1B5AD245D_5043E9725F671827_6038_DP,OC(=O)C[C@H](NC([C@@H]1N(C)C(CC1)=O)=O)C2=CC=CC=C2,UWWWTDPTWVOBMM-NWDGAFQWSA-N
-85E0A910FC4014E4_9EC9C544E98EA293_7022_UN,C1(=CN=C(C=C1)F)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,XOGGEKAKEGDCBB-LOACHALJSA-N
-871AE3D675C3FEE8_1347342CA4E93875_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)Br,DYSRUEKULUCZIP-UHFFFAOYSA-N
-87ECB48688156905_75461BCB451EA671_6038_UN,C[C@@H](SC(=O)C=CC2=NC1=C(C=CC=C1)S2)C3=CC=CC=C3,FXXHQFLUNMGRKO-CYBMUJFWSA-N
-8B11A5CA52F12087_42D776699B57539D_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C)C)CC3)F)Cl,QDJZNJSZGCKEBM-UHFFFAOYSA-N
-8B4B269C08C615F9_070AC80447E8CF4E_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCCCC3=C([N](N=C3C)C)C,VAYYGOBCMYGRBC-UHFFFAOYSA-N
-8C6430AA01D07BA7_5A97531DD30996EB_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(COC)[NH]3)(=O)=O,OOTUVNYUNNHVOL-UHFFFAOYSA-N
-8E04177656D571A1_888E0BD3201CE6D3_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)OC4=CC=CC=C4)(=O)=O,USDWLFMNTWMLFX-UHFFFAOYSA-N
-8ED32DD7D1684E01_42F39D5BFBEA36F0_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(C=C3)S)C)(=O)=O,BFFGZOLXSXLCFH-UHFFFAOYSA-N
-9094AB20A86A1911_E0B8554BB0F7557F_6035_UN,CC(OC1=C(C=CC(=C1)[S](=O)(=O)Cl)Cl)COC(=O)C=C,GTMCOCATCWMOTP-UHFFFAOYSA-N
-90E1DCB4041C5B0D_0942733445236B46_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=CC(=CC=C3)OC4CC4)(=O)=O,WTUWOSAGSXVOFT-RBUKOAKNSA-N
-9160AAA32E928D2A_F3440F464C5D13B5_6029_UN,C1C(CN1[S](C2=C(N=C(C(F)F)C=C2)Cl)(=O)=O)OC3=CC=CC=C3,URZKQJXCMRXBHW-UHFFFAOYSA-N
-91EFD225C6C26A68_EB582AF96C7702AE_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)F)Cl,PWSDDYGUDRBJLY-UHFFFAOYSA-N
-925DD0EB3A6EE115_2733973B2D36C453_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)F)Cl,RFJRMXQHZMUXAC-UHFFFAOYSA-N
-9441C963099E5074_7061CCE9C65425AB_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2O)C,YBPQJIQWBNGABL-UHFFFAOYSA-N
-95D4D6F6007E0EEA_D239BB99A0F3E404_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4(C(OC)=O)COC4,GAOLVFIZNWKRQF-UHFFFAOYSA-N
-968DDA13BAC82620_3CEF5310C532CC62_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)OC4=CC=CC=C4)(=O)=O,UUJPIBABQLDAPL-UHFFFAOYSA-N
-98363E29A1E06BA3_22D32FC09739C545_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(C)CCO3)C=C4)(=O)=O,AIFNDBGTLAQQCM-UHFFFAOYSA-N
-9919D04855BB2ED5_0DC2B4EFA92FAA4E_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)F)Br,WKWPGOLDLSOIJM-UHFFFAOYSA-N
-994E37234E4B8339_2FAC26F0118C2CAB_6003_UN,O(C1=CC=C(C=C1)O[S](=O)(=O)O)C2=CC=C(C=C2)C(=O)NC3CC3,MYIHHZHLZRLBKI-UHFFFAOYSA-N
-99D53428CD29D934_9B83844B4E15EA0A_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=C(C)[N]3C4CC4)(=O)=O,MYFHAISJIWNUTP-UHFFFAOYSA-N
-9A47A54769AF9B04_05FD521FE74E0077_6029_UN,N(C[C@@H](O)C1=CC=CC=C1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O,QOHPSAZQGLHCEN-QGZVFWFLSA-N
-9A50F5C6964E7921_4904ADF63715AE5E_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CC(CN(C)C)C3,ZMWZXWJBXCKRJC-UHFFFAOYSA-N
-9A88FB44284126B0_F873D2C8E95176F5_6035_UN,CC(OC1=C(C=C(C)C=C1)[S](=O)(=O)Cl)C2=C(C=CC=C2)N3CCN(C)CC3,ZJFOZCIRZWGZQW-UHFFFAOYSA-N
-9AAFDAF062A5AF58_41557A8740728F01_6031_UN,CCCC(CC(=O)OCC1=CC=C(C=C1)[S](=O)(=O)O)C=C,XKHVTVWRPJSSML-UHFFFAOYSA-N
-9AF79E2DBA8547A8_4E15D65B8E0D7D23_6026_UN,FC1=CC(=C(C=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)I,DUORCPHFRUEHAO-UHFFFAOYSA-N
-9BBF22AFA7D4CA72_DD120DF1BBCBED04_6038_UN,N(CC1C2=C(B(O1)O)C=CC=C2)C(CCCC3=NC(=NO3)C(C)C)=O,OHXXIPKYUUJUQJ-UHFFFAOYSA-N
-9DA7C4BD255647E4_F7364BDE20DDC2BA_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCCC2=O)F)CC4=CC=C(N3CCN(C)CC3)C=C4,MNPAOAGGVNZDOF-UHFFFAOYSA-N
-9DCC3C15693974F4_454334EB35D8CDB9_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C2(C(N(C(C)C)C)=O)CC2)=O,YKMMGHFYGHKMKB-UHFFFAOYSA-N
-9EC4B66E3190D463_95FEFCA5FBAD7A96_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CCO4)(=O)=O,LBWSYAHPKXYEBW-UHFFFAOYSA-N
-9F8973435493E30F_25B4A370677BB227_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C(C)C)[N]2C=NN=N2)=O,WPNMDNPILLSKBW-UHFFFAOYSA-N
-9FED23CB1063192B_A9552EA78DA2CA11_6038_UN,O(C1CN(C1)C(=O)OC2=CC=CC=C2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,FGWSOJWANIPZDM-UHFFFAOYSA-N
-A03FA2DD40883D1C_47D0FB32FE852700_6029_UN,N([C@@H]([C@@H](O)C1=CC=CC=C1)C2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,BRJGBGUONBZWIG-YADHBBJMSA-N
-A0E347A6218371EF_568A4E515F607F2F_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCC3=CC=C(N2CCN(C)CC2)C=C3)I,UXNLMBZFZLXMBQ-UHFFFAOYSA-N
-A2EF2C284EA2DEA6_1B47F1CE08369906_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)F)Br,SKAXSHLSRXBNHY-UHFFFAOYSA-N
-A416296089BCDCAA_B6857D95235DB411_6028_UN,C1C(CN1[S](C2=C([C@H](C)N(C)C)C=CC=C2)(=O)=O)C3=NOCC3,IZNSLVPPNJWOQB-LBPRGKRZSA-N
-A7230C2ADF1E5DFF_7243DB42A6EE7A7A_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NCC2(SC)CCC2,CIKPSNFOFXDBBU-UHFFFAOYSA-N
-A75279E255E4E562_ADA2565940D34609_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC=C([C@@H](C)O)C=C3)(=O)=O,XATNBFQXSFNXFD-UNEWFSDZSA-N
-A78DFACAF92CC784_EA530D8DB8123C4F_6028_DP,O[C@@H]1C[C@H](C1)N[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,CQQHNDSALRVFDU-WKILWMFISA-N
-A8703B9BD02210A3_E7FF7F521DD52817_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,ZHGKVYZCBYEBSS-PQHWSOKGSA-N
-AAEA8F67636E2831_30F200FED9D07CA4_7015_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC=CC(=C3C)C)(=O)=O,CMKKTHCQRQEJLU-WOVMCDHWSA-N
-ACBF18DF1F67898D_5929077A58F8664E_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC(C(C)(C)C)C#C,LPLWXROWKQFLMD-UHFFFAOYSA-N
-ADD503447BFD25D1_114B4B290980915A_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCCNC2=O)CC3=C[N](C)C=C3,GFLUKECCVVXZDE-UHFFFAOYSA-N
-ADF97A71D3FA6460_C48CB0DD95586307_6028_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,RVOQUUXPBOFKTQ-UHFFFAOYSA-N
-B0D8147535BAE9CB_2E17220CC9891FED_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC=C(SC)C=C3)(=O)=O,WTEHZAQQOYQSLZ-UHFFFAOYSA-N
-B2287B2931F6F078_8522EF79777D13DD_6029_UN,C1CC(CN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=NC=CS4,WERWKLVZGDMMSO-UHFFFAOYSA-N
-B3ABA9EC45696D4F_1D79E281FC853E31_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C)C=C2)C)CC3)F)F,HIMXQKAXUYSMAV-UHFFFAOYSA-N
-B441B3AA1BF0D9BD_276A394E4CDF6CE2_6026_UN,CC1=C(C=CC(=C1)[S](=O)(=O)N2CC(N(OC)C)C2)[N]3C=NN=N3,OAABCMQMVAUBEV-UHFFFAOYSA-N
-B56D9BE72BB81649_2B6049B9F707D4E2_6029_UN,C1C=C(CN1[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CN=CC=C4,LMMYVZSTLREILR-UHFFFAOYSA-N
-B64EEE22FF15E61E_5D7BF71FCE0C3764_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CCC2=NC(=N[N]2C3)C)=O,DMIPQOUTPRKNNB-UHFFFAOYSA-N
-B6E11EC5E26AFFA1_5284DACFFE9288E2_6029_UN,N(N2C(=O)C1=C(C=CC=C1)C2=O)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,WMNCUPVRYHFZDT-UHFFFAOYSA-N
-B716FDA0185F7D03_CFE7F913BF08D534_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C)[N]2C=NC3=C2N=CN=C3N)=O,MVWTVBFNYUUVSB-UHFFFAOYSA-N
-BB119C2E2401EF0A_966952930218D78C_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(SC)C=C3)(=O)=O,UANULYPQKSIWIL-UHFFFAOYSA-N
-BD8BBD5AC46C652B_7B9ED99B22FDA6E6_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)OC2=CC=CC=C2)N3CCC(CC3)C4=CSC=N4,XDHDSNGDWXQXEV-UHFFFAOYSA-N
-BDBCF09FB04BD293_D3EAF7AA2AE3C0B3_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C(C)C3=CC=C(C=C3)N(C)C)=O,PKLPSFPYXOQIBZ-UHFFFAOYSA-N
-BFA9DEE853AADDF8_CF7C50C33F2F6744_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)[S](C)(=O)=O,AJKZOXRFISESBP-UHFFFAOYSA-N
-C012C0E91A98010F_0685B311CD3A0840_6028_UN,C[C@H]1C5=C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4CC4)(=O)=O)C=CC=C5,SEEZUZFFUQVAHB-LBPRGKRZSA-N
-C0A146C304F45F52_E02D8E897549FAFD_6029_UN,N([C@H]1[C@H](CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,DLHFJELHXZUZRT-QZTJIDSGSA-N
-C0F054F18A30A2C9_061FA828B64B9643_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C(C)[N]2N=NN=C2C(C)(C)C)=O,NCLRJYOHJGFKCC-UHFFFAOYSA-N
-C17E87DCF1C7F267_1214623EDEAD682E_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C)=C[N]3N=NC=C3)=O,GNFMMTITXOWDLF-UHFFFAOYSA-N
-C34A1B81B6705028_F6FCF2AA154D9C31_6039_UN,CC1=C(C(=CC=N1)C(=O)O)OCC(=O)NCCC2=CSC=C2,OSEAHUKKUVJFSJ-UHFFFAOYSA-N
-C55EAE8E9DACBFEA_8C3C13BFDDC856E3_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)NCC3=CC=C(N2CCN(C)CC2)C=C3)C#N,GJHUQRWDGDJINM-UHFFFAOYSA-N
-C5777DAD93C73851_6F38C704B1E3B6DE_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2(CC(C)C)CCNCC2)=O,ULIJGSQKMVNGHY-UHFFFAOYSA-N
-C6ED6BD2AD63F4F0_7289681352721108_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CN3C(CC(C)(C)C3=O)=O)=O,UBNQGKHMQQQCQQ-UHFFFAOYSA-N
-C82A5808569E7BDC_4A55D224AA30F61B_6038_UN,CC(C)[N]3C=C(CC(C)OC(CC1OB(O)C2=C1C=CC=C2)=O)N=N3,BVQUGZBNEKHOEH-UHFFFAOYSA-N
-C93F36C305CFA134_747058C7C9567775_6031_UN,O(C(=O)COC1=CC(=CC=C1)[N]2C=NN=C2)CC3=CC(=C(OC)C=C3)B(O)O,PQFRHYSCVJGIGR-UHFFFAOYSA-N
-C97CCFC33302177B_3B3BAA72C08C3F99_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C)C)CC3)F)F,STSWEAPWLRZQBO-UHFFFAOYSA-N
-C9D788D35884308C_1053897BD04B1A09_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,NZTALDYNMXBIPQ-HDICACEKSA-N
-CA049CE44DED49A7_F3B867CB9BD061C3_6038_UN,OB1OCC2=C(C=CC=C12)OC(C(C(C)C)[N]3N=CC(=N3)N)=O,ZDSBYUUOEQGKBK-UHFFFAOYSA-N
-CA19491CDBE7A973_D1A89D252BA38528_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4CCN([S](C3=C(C(=CC(=C3C)C)C)C)(=O)=O)CC4)=O,KSEXCCKSISROID-UHFFFAOYSA-N
-CBF3C166E0D0E8C2_F75ED9EC84EAB5BC_6038_UN,C[C@@H](OC(CC1OB(O)C2=C1C=CC=C2)=O)C3=C(N=C(N=C3)C4=NC=CC=N4)C,RVWZSDPKJSUEHW-FWJOYPJLSA-N
-CE69789D47360532_AB12281FAF7ACC7E_6029_UN,CC2(C)CN(CC1=C(C=CC=C1)O2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,DXLNSMSOADEDBK-UHFFFAOYSA-N
-CEBCB048BFD8A686_3F58B1128582CB73_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,YQBJPGUCLLHJMX-UHFFFAOYSA-N
-D0220726FF115FD5_173908EE058AF7A0_6041_UN,OC(=O)C1=CC(=C(C=C1)NCC(N(CC)C)=O)N2CCCC2=O,PJTBZTUXONARLA-UHFFFAOYSA-N
-D5303DC595A9BF2E_15D7956A88CEF28A_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,AXNITNYMHLEPRH-RBUKOAKNSA-N
-D6FCAB78D5DE46EF_0381DD72727F55E8_6041_DP,OC(=O)CSC1=NN=C(O1)C2=C(C=CC=C2)N[C@@H](CO)C(=O)O,YDARZNNUOAICPS-VIFPVBQESA-N
-D741524AAA843B86_5EDF4B2076EDA857_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)F)F,TWQJQZLKDDWVGN-UHFFFAOYSA-N
-D7F0BF027D28B80E_ECA74743D0F38591_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C2=CC(=C(C(=C2)F)C#N)F,MCLMMTKEKPYUTR-JTQLQIEISA-N
-D8F971A1443F0D68_0B2E81F7C4644B2B_6029_UN,C1N(CCN(C1)C2=NN=N[N]2C3=CC=CC=C3)[S](C4=C(C=C([C@H](C)O)C=C4)C)(=O)=O,SQJJYXXDXFDGDA-INIZCTEOSA-N
-DC9F1CAE7D73FCDB_7EA3109CBE570EC8_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C)C)CC3)F)Br,GYMJOVCVQBQYGH-UHFFFAOYSA-N
-DE2FF0FAC3554088_CF12B2554F356981_6038_DP,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C(C(C)=C3CNC3)=O,KABDQSAVDYVELC-UHFFFAOYSA-N
-E3B3BB7FF0EF1147_CF0E91CDD69D66A6_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,MHEKYFOZQYAPNQ-UHFFFAOYSA-N
-E4385E6B2DA5AB51_600739FDAF7906C1_6028_UN,N(=C(N1CCCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,CJGAJRNBCUWKSA-UHFFFAOYSA-N
-E471CBE46B7C16BC_1E9BD416BBDB2973_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=CN=C(C(C)(C)C)C=C3)=O,UNKPZTODXZHCGD-UHFFFAOYSA-N
-E571CAB443C8F8B4_348DEBC4A708FE37_6038_UN,CC(C)CC(NC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=NN=N[NH]3,MSRBVQDWVVXRKW-UHFFFAOYSA-N
-E6284626AD36ACF5_B4520148D5AAB5EF_6041_UN,C1(=CC2=C(C=C1)SCC2)NC(C3=NC=C[N]3C)C4=NC=C[N]4C,QKFRVGVAPAJWBL-UHFFFAOYSA-N
-E731DAF114E472AC_EE5F3A38A619474A_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)I,VHIGYCZJENMPRZ-UHFFFAOYSA-N
-E869092A05AF5B2B_4D4554FE35141D8D_6028_UN,CN2CCC(CCN[S](C1=CC=C(C(C)C)C=C1)(=O)=O)CC2,UCHVQHLNTVGCOD-UHFFFAOYSA-N
-EB777D59CED0DB84_57D02CA8B46A34BA_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCCCC3=C(C)[N](C(=C3)C)C,KYKKBMCLRIFQMW-UHFFFAOYSA-N
-EBD5D97592F3809D_991A7A4E5F3A9970_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(N(C)C)C=CN=C2)=O,XCNFZEXHPLSJJK-SECBINFHSA-N
-EC5C3514F4A0FBA9_959DF4CE6C0DFC53_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(C)CCO3)C=C4)(=O)=O,BOVVOCHHSSUKAK-UHFFFAOYSA-N
-ED4F256B58342F6D_D72C4C0C49775FFB_6026_UN,FC1=C(C=C(C(=C1)[S](=O)(=O)NCCC3=CC=C(N2CCN(C)CC2)C=C3)F)Br,KMGQEIGYUSATHK-UHFFFAOYSA-N
-EE27D964DFC4B847_80FA1ADAF571C060_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(C(C)(C)C)C=CN=C3)=O,MBJULUIWHRZGDD-UHFFFAOYSA-N
-EE32611127D6A583_2EFD2E956465FAA8_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,QSLYSJHZARUVKQ-UHFFFAOYSA-N
-F0F5EEF793FEA197_C91F035C69CE1D3B_6038_UN,CN(C(=O)C)C1=CC=C(C=C1)CNC(=O)C2=NNC(=O)CC2,CCZDZFSATVTADK-UHFFFAOYSA-N
-F18E5B58145ED6B0_C0389DE2FDD7AF2D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCS[S](=O)(=O)O,LXYCFUUJTGUHSY-UHFFFAOYSA-N
-F1F3D3C0AE491CCA_87D0E57275FEFCE5_6029_UN,N([C@H]1C[C@H](CCC1)CO)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,MGRKLZCEBIMHRK-QJZXMCBYSA-N
-F34E44DF177E8506_5C637580FED54658_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(O)COC3)C=C4)(=O)=O,GELBRGOUJMVKMQ-UHFFFAOYSA-N
-F41D3EC82D12704B_478961C044354BE2_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C3=NC2=C(CC)C=N[N]2C=C3)=O,ZDUUNQFLHLTHJD-UHFFFAOYSA-N
-F4650DD38B680C41_E6CCB4F0CD40FC92_6029_UN,CN3CCC(CN[S](C2=CC=C(C1(C)CC1)C=C2)(=O)=O)CC3,QVXFJMXRUXMYHW-UHFFFAOYSA-N
-F4D2B28840ACAB65_D87F46F3982C8804_6029_UN,N([C@H]1[C@H](C1)CO)[S](C2=CC=C(C(C(C)C)C#N)C=C2)(=O)=O,IEQXTXAPKPJXNF-SULGFLJSSA-N
-F805AC178BDDF1A4_5ACD6A847A812E82_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)N[C@@H](C(C)(C)C)C#C,FHILAKRCQSOLKW-GFCCVEGCSA-N
-F9D8D9DC6A3A1E49_682655BD1F4E3D80_6026_UN,FC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC=CC(=C2C)C)CC3)F)Br,CDWMNVYWZPRHDY-UHFFFAOYSA-N
-FAB08B000F0A472A_D61A4E839A0131CE_6038_UN,CC(C)C1=NSC(=N1)COC(CC2OB(O)C3=C2C=CC=C3)=O,ODNCZCNCTKMYAC-UHFFFAOYSA-N
-FF00612CAA56C5CC_FFC2F385E38CC187_6038_UN,N(C[C@@H]1C[C@H](C1)[N]2N=NC=C2)C(C4=CC=C(C3=CC=N[N]3C)C=C4)=O,MZAQGDKFZJXNDH-SAZUREKKSA-N
-FFE758DFCB26D0FB_207CC3DC73BA9FCF_6038_UN,CCCC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)C2=NC=CS2,GJXSBMJEGMEEDF-UHFFFAOYSA-N
-rxn:2:139441:117066,CC(NC1CCN(C(C)C2CCCCC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,ADNLKOFDEONRCU-UHFFFAOYSA-M
-00B8CFB744556C2C_70758957939D6E8B_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N4CC(C3=C(C)C=CC=C3)(CC4)F,ZFAMUQVMACQEJG-UHFFFAOYSA-N
-00CE9090A63E6A05_E48AD628C059EF3C_7022_UN,COC1=C(C(=CC=C1)N[C@H]2[C@@H](C2)C3=CC=CC=C3)OC,NOZPGURBRLRTKK-DZGCQCFKSA-N
-01287C283D488073_EDEACC44F270FD47_6005_UN,C1(=C(C=CC=C1)C2COC(=O)N2)C3=C(C=CC(=C3)OC)C,QGPNDGZVAWCBRI-UHFFFAOYSA-N
-06B2AD191E24545A_9573332673233100_6004_UN,ClC1=NC(=N[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,XQRSRGSTRGQRAV-UHFFFAOYSA-N
-08B1144192E82375_C26AA442B7CCE1F2_6031_UN,CC1=NC(=NO1)C[N]2N=NC(=C2C)C(=O)OCC3=C(N(C)C)N=CC(=C3)Br,ZHCMJTYZGFCGGW-UHFFFAOYSA-N
-0A3625700B0C2206_1A5F6FAC11187EBE_6028_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,YYKBOHQLPXYNTE-UHFFFAOYSA-N
-0A47A9215AB67E03_ADBC4CF74B2DAEBC_6029_UN,C1CC2(C1)C4=C(N(C2)[S](C3=CC(=C(C)C=C3)C(F)F)(=O)=O)C=CC=C4,HZQJTIZYPACTRZ-UHFFFAOYSA-N
-0D244202B32A07D9_8BFD5F7DCBA94550_6029_UN,COC1=C2C(=CC=C1)CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,BMUPFTOFHIPHLN-UHFFFAOYSA-N
-0D92105FBC8F6593_657E5D6BF01CDE38_6031_UN,CC1=NOC(=C1)C[N]2N=NC(=C2C)C(=O)OCC3=C(N(C)C)N=CC(=C3)Br,BBTQUEXIQISGNA-UHFFFAOYSA-N
-0FED0D938FB69DBB_61E190BE5866CB08_6029_UN,O=C(N1CCN(CCC1)[S](C2=CC(=C(CO)C=C2)Cl)(=O)=O)C3=CC=CC=C3,KDMNCCGWNYRJAZ-UHFFFAOYSA-N
-11BF63B5D4E216D1_909BED9F2E44B583_6029_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PMWZUQIDCJBICO-UHFFFAOYSA-N
-11BF63B5D4E216D1_ADE1BAB26687D769_6027_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PMWZUQIDCJBICO-UHFFFAOYSA-N
-11BF63B5D4E216D1_ADE1BAB26687D769_7015_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,PMWZUQIDCJBICO-UHFFFAOYSA-N
-13026EE276337DDB_989F3E6653E50817_6038_UN,O(C1CC1)C(C2=CC(=C(OC)C=C2)C3=CC=CC=C3)=O,MPXXVWBIMNUYKD-UHFFFAOYSA-N
-13707E636B81CAAE_7E5EA7FECC93C7FA_6039_UN,O([C@@H]1CO[C@H]1C2=CC=CC=C2)CC(OC)C3=CC=CC=C3,PFIPSULKMFEYIE-RWZMTBSZSA-N
-14D4C1F124C7E440_0CCBDAA5F28B5E9E_6029_UN,CC1=C2C(=CC=C1)CN(CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,BZNDEWXKPVJTCK-UHFFFAOYSA-N
-18A9F246D7BD3872_94E9B74C17DDBEAF_6039_UN,O(CC1=C(C=CC=C1)C2CC2)CC3=CC=C([S](F)(=O)=O)C=C3,YWOGREPBJUBBHX-UHFFFAOYSA-N
-18A9F246D7BD3872_D90F9A77B93B315D_6039_UN,O(CC1=C(C=CC=C1)C2CC2)CC3=CC=C([S](F)(=O)=O)C=C3,YWOGREPBJUBBHX-UHFFFAOYSA-N
-1AD4B49C85C9CC44_E6BC05DDBAE4208D_6035_UN,CCC(OC1=CC(=C(OC)C=C1)OC)C2=CC=CC=C2,FEYDWUPFBFXVAM-UHFFFAOYSA-N
-20A45C7FB7AA5D97_A7219D4DF6F8ABCA_6028_UN,C1C=C(CN1[S](C2=CC=CC(=C2)OC)(=O)=O)C3=CC=CC=C3,FCSIFSDNFOVOSF-UHFFFAOYSA-N
-2456F2598C5F19C7_BA1255D0F5CE8071_6041_UN,C1(=CC=C(C=C1)C(=O)C2=CC=CC=C2)N[C@H]3[C@H](OC)CC3,BLVWXZUJLLAEID-IAGOWNOFSA-N
-25CE09650376B5C6_09DE2BF625CAC545_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NC4=CC(=C(N(C)C)C=C4)F,XWQJDUSZAVCCMM-UHFFFAOYSA-N
-25FE674A86745FE2_ADD7E9059952D5EC_6039_UN,O(CC1=C(C=CC=C1)C2CCC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,XWVKWINXVNEYKP-UHFFFAOYSA-N
-26029A0F41F14773_19D88F3D78A77DFD_6039_UN,O(C1CCC(F)(F)CC1)CC2=CC=C([S](C)(=O)=O)C=C2,PKXBBTZQQAAXLS-UHFFFAOYSA-N
-260EAE150FDF268F_E8CD187BE75321ED_6029_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,RPFZYIGZIWBOLM-UHFFFAOYSA-N
-287BEC9BD81CB320_49F66D38505D238A_6041_UN,CC1=CC3=C(C(=C1)NCC2=NN=C(N(C)C)[NH]2)OC(=O)N3C,IMDJXNJHJYSCNT-UHFFFAOYSA-N
-2B882A9D5A7BD534_EEAD1D5BBCD04286_6028_UN,N(CC1(CC1)C#N)[S](C3=NN=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,FZSIECMDZHMYPC-UHFFFAOYSA-N
-2BDEEF9B97D9D418_FE28A36AE9957419_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)CCC)(=O)=O,OQOZTPHPAFUNCB-UHFFFAOYSA-N
-30245891E63D39BE_F79C12CF713AD941_6029_UN,O=C(N1CCN(CCC1)[S](C2=CC(=C(CO)C=C2)I)(=O)=O)C3=CC=CC=C3,UNBHCDWZOLLZPV-UHFFFAOYSA-N
-3028DD45BCC93A99_29A8E6B9C88D8AFF_6041_DP,N3CC1=C(C=C(C=C1)NC2=C([S](C)=O)C=CC=C2C)C3,IJJQJDHCGOYPAY-UHFFFAOYSA-N
-3594C37347177F3E_96CD491EEF06C02E_6038_UN,CCC2=NOC(CNC(C1=CC=C(CN(C)C)[NH]1)=O)C2,NZESTHJJQZBOJU-UHFFFAOYSA-N
-3A2D824828637E0B_AB3E2519BABA351B_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,BPWNPYQZLRBREN-UHFFFAOYSA-N
-3A35C05AE3DAE015_44BC6E16A145FB38_6041_UN,COC(=O)C1=N[NH]C(=N1)NCC2=C(N(C)C)C=C(C=C2)C,FNZMSWANCYUGTN-UHFFFAOYSA-N
-3B1E95129CAE83F8_10F2AB9D75403373_7005_UN,N3=C(C1=CC=C(N(C(C)C)C)C=C1)[NH]C4=CC2=C(OCCO2)C=C34,GACSEQKJZCTICW-UHFFFAOYSA-N
-3B4E3B5F2AD6ED24_7CACD054F1FC0CF8_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=CC=C(C#N)C=C3)C4CCC4,DQLIBRIJOBVTPN-UHFFFAOYSA-N
-3BE014E6C93D57E2_BEE9719C234E536E_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(C=C3)C)CC)(=O)=O,SQVJEGHYOVMOKZ-UHFFFAOYSA-N
-3BF04E71FC81DA1D_F259BC1DCCCF5F22_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(COC)C=C2)(=O)=O)C3=CC=CC=C3,RXBCAHQOWHFZDR-UHFFFAOYSA-N
-3C2F70417B75D198_F3DC19CCB72D7DEA_6031_UN,O(C(=O)CC1=NN=N[NH]1)CC2=C(N(C)C)N=CC(=C2)Br,XYJOJOXCKXHUSS-UHFFFAOYSA-N
-3D7651E15F196303_E6093C1E2E3ECD7F_6029_UN,OC1(CCN(CC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O)C3=CC=CC=C3,GWZCAJGWQNIWDI-UHFFFAOYSA-N
-3F45D8A49BF525EC_19710642123DD80A_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O,JATPLHFCFQBGFA-UHFFFAOYSA-N
-425763EACC35F920_0D7B833020F39EB1_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)CCCC2)N3CC(C)(C)C4=C(CC3)C=CC=C4,FLAVJKHODHXBFA-UHFFFAOYSA-N
-44EAF061769B5E41_B6678C6E1278914E_6041_UN,CC1=CC3=C(C(=C1)N[C@H]2[C@H](OC)CCOC2)C=CC=C3,TWZROAVHKPNZRE-IAGOWNOFSA-N
-45D8AC401E4D59F3_4BD6552D4968E1B4_6041_UN,CN1CC[N]2N=CC(=C12)NC(C)C3=NN=C(S3)C4=CC=CC=C4,CIEXKUOWOSEDOZ-UHFFFAOYSA-N
-471ACFB6028B19A5_5275088B8A7E9BA0_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC3=C(N(C)C)C=C(C=C3)Br,BMAATLOJMOMKTN-UHFFFAOYSA-N
-479D03A51B570880_E4F9BD1748737265_6041_UN,CC1CC(=O)C2=C1C=CC(=C2)NC3=C(OC)C=CC=C3,BOIXQKZJHPFSOD-UHFFFAOYSA-N
-47D1C438D91D7F70_82DE547D852AC305_6029_UN,CC1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C4=CC(=C(C=C4)C)C,IOETWRQGOOMBCR-UHFFFAOYSA-N
-49DE94ED9B21564B_19C46CE52C27F90F_6041_UN,COC1=CC(=CC(=C1)N[C@H]2[C@@H](OC2)C3=CC=CC=C3)OC,FNJMBIWESFKFPW-SJORKVTESA-N
-4BC3498078D908B0_35B2A0F09A7C7A83_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC3=C(N(C)C)C=CC=C3Cl,GWOZQBPPZNYAGW-UHFFFAOYSA-N
-4DB52927550A0420_098488C8BF1837F8_6027_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,RGQHMGOJWWLNQH-UHFFFAOYSA-N
-4DB52927550A0420_098488C8BF1837F8_7015_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,RGQHMGOJWWLNQH-UHFFFAOYSA-N
-4DB577CA45369662_142972CDAC224845_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NC5=CC(=C(N(C)C)C=C5)F,UYHFBZSMZADCLZ-UHFFFAOYSA-N
-4E64EA2C8E76C92B_DC603C28CB65F5E5_6038_UN,N(CC1=C2C(=CC(=C1)F)COCO2)C(CC4=NC3=C(N=C(N(C)C)C=C3)[NH]4)=O,CDTAGNYJLQFGTP-UHFFFAOYSA-N
-4F5F10A595DEF62F_48284E4E8EA0D719_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,NYHVFDHRRSEZIK-UHFFFAOYSA-N
-509C0184CE10782E_8A1E2004075B8A43_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N4CC3=CC=CC(=C3CC4(C)C)C,MGPNQFLFQVUXHP-UHFFFAOYSA-N
-51317AC9106FE4A3_7C9EB1130D6C8AAC_2201_UN,CC2=NC1=C(C=CC=C1)C(=C2[S](=O)(=O)C3=CC=C(C=C3)C)C4CCCC4,QENUHWRMDUUFAV-UHFFFAOYSA-N
-541C524B165B3303_57FDE8BBBD98F532_6041_UN,FC2=C1SC(=NC1=CC=C2)NC3=C(N(C)C)N=C(N=C3)N4CCOCC4,WYJHUAOSCIEPET-UHFFFAOYSA-N
-59AE640D2D4E10A2_D9CDBCA4F6047526_6039_UN,O(C1CCC1C2=CC=CC=C2)CC4=C3N=CC=CC3=C([N](=O)=O)C=C4,BYNGIQWIEDVLBQ-UHFFFAOYSA-N
-5B070C729BA6ADFF_F24236E0691B35F2_6035_UN,C[C@@]2(OC1=C(OC)C=CC=C1Br)C[C@H]2C3=CC=CC=C3,JVOXMMLYKGOHDE-SUMWQHHRSA-N
-5D6E4F0DF677112B_6EE1B4372DF30DDE_6027_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,RBMWEZADKRGGAM-UHFFFAOYSA-N
-5DA3CE209D3B207A_E90D1B800B7823B4_6034_UN,CC1NCC(=O)N(C1=O)CC2=CC=C(CN(C)C)C=C2,MHWQXLAOZJYPPM-UHFFFAOYSA-N
-5F89942295053365_BA8813053ACA781F_6029_UN,C1CN(CCN1[S](C2=C(CO)C=CC(=C2)C(F)(F)F)(=O)=O)C3=NN=CC=N3,DJYIAZWFFKKKHP-UHFFFAOYSA-N
-63459FDA2B36ACF7_6B4FEB4E448B7C34_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(C(O)CO3)C=C4)(=O)=O,UUCOFLRFTREYJA-UHFFFAOYSA-N
-640CD5C26392A915_B2260A050F36EBE1_6034_UN,COC2=C1C=CC(N(C1=CC=C2)C3=CC=CC=CC3=O)=O,MKLQOTVLCDSVDN-UHFFFAOYSA-N
-66541786830DF291_4924A5F3D36204D0_6041_UN,COC1=C(C=C(C=C1)N[C@@H]2[C@H](C2)C3=CC=CC=C3)OC,LJHRGZISOYDOQT-CABCVRRESA-N
-66541786830DF291_9C2B8EDD8164B55D_6041_UN,COC1=C(C=C(C=C1)N[C@@H]2[C@H](C2)C3=CC=CC=C3)OC,LJHRGZISOYDOQT-CABCVRRESA-N
-667FC4573FCDCE4C_7AF8719A49DA647B_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N(C3=C(I)C=CC=C3)C4CCC4,BIOOZDZEXVZLQG-UHFFFAOYSA-N
-6708FC8A9F101C66_089545238BB1C327_6039_UN,O(CC1=C(C=CC=C1)C2CCC2)CC3=CC=C([S](F)(=O)=O)C=C3,XFWZOLSULSHBJN-UHFFFAOYSA-N
-6708FC8A9F101C66_4573681825574CD5_6039_UN,O(CC1=C(C=CC=C1)C2CCC2)CC3=CC=C([S](F)(=O)=O)C=C3,XFWZOLSULSHBJN-UHFFFAOYSA-N
-6876BC360AB45CAE_D66A8202DC00E6A4_7015_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,AKYCWNFHTQKGOU-UHFFFAOYSA-N
-6AFA2C40D5E87F80_00E03F413031B0CE_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NC5=CC=C(N(C)C)C=C5,DYICSGAYSIBBRL-UHFFFAOYSA-N
-6B0721EBE0B158B7_004B4E23D9E60270_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=C(C#N)C=CC=C3)CCC4,HHFFPZLRXFLNQN-UHFFFAOYSA-N
-6C5D70C82FFB46E9_E0195B9878800611_6041_UN,C2(=C1C(CC1=CC=C2)=O)NC3=CC=C(C(OC)C)C=C3,ZONHPYKHJLKUMO-UHFFFAOYSA-N
-6F51AEDFA0032AC8_818906CD5499688A_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O,BNDDGGYGWRZELM-UHFFFAOYSA-N
-7161B11A8CDEB391_C577561ACCB65C4A_6041_UN,COC1=CC(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2,WJJYPHORWHLHNY-UHFFFAOYSA-N
-71CD5976F5E13546_A234990767BFA400_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCC(C)CC4,NOJMRKOIPVKDJB-UHFFFAOYSA-N
-742CB1A76CF8D359_ADED386A70F15673_6034_UN,COC2=C1C=CN(C(C1=CC=C2)=O)C3=CC=CC=CC3=O,TVRNJNGMBNTDQL-UHFFFAOYSA-N
-7452E80B86B91C89_257BA52C01A74A16_6026_UN,CC1=NC=C(S1)[S](=O)(=O)N4CCN(C2=NC=NC3=C2C=C(Br)C=C3)CC4,ZHNYRTKFLVNZHW-UHFFFAOYSA-N
-76503DDA5A0533CC_DEF1CA215A5972A1_6041_UN,C1(=CC2=C(C=C1)OC(=O)O2)NCC3=NN=C(N(C)C)[NH]3,XSJYYVIOYOFFQV-UHFFFAOYSA-N
-7B279C61DBB3049C_E08B257F4375FBCF_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(N)CCCC4,CTFITLDABVLEON-UHFFFAOYSA-N
-8304554BD788C0D8_7BA9C922FE66FB91_6038_UN,N([C@H]1[C@@H](C1)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)C)=O,AXOFEMYSPWUNTO-DLBZAZTESA-N
-87B5D2E598649CE2_5FF891359F1F3085_6029_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,FMRDZKZHNJUKCB-UHFFFAOYSA-N
-8D889298C02E70CF_EE69C83F94BDC4A8_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N3CC(C)(C)C4=C(C3)C=CC=C4,QMCWGARIOPZLFD-UHFFFAOYSA-N
-93A3255831DAA2FE_861E6652FBB7C494_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,ACPKCMLEQXDXBN-UHFFFAOYSA-N
-99CBAAC5C3842C3A_0036C7C6FABF0DDA_6026_UN,CC1=NC2=C(C(=C1)Cl)C=CC=C2[S](=O)(=O)N4CCC(C3=CC=C(C#N)C=C3)CC4,LRQQYSYFEWSKDF-UHFFFAOYSA-N
-9D01E6AF5447C57A_5E42D892B0F6A0EB_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3=CC(=CC=C3)C4CCC4,XBCJTHVIFZZYPI-UHFFFAOYSA-N
-9D641C8A55B47830_7B5D1C8C9356DDA4_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C(O)C3CC3)C=C4)(=O)=O)C=CC=C5,AYODCGRANWWZEJ-UHFFFAOYSA-N
-9E53AD83EE456CD5_42C898844C3A25E6_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NC5=C(C=C(N(C)C)C=C5C)C,NMGQQGLYRVAQCF-UHFFFAOYSA-N
-A0E205E16D53C21E_8ABAA8A22311E962_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC=CC(=C2C)[N](=O)=O)C=C3,ZGWBRFNIRHOORU-UHFFFAOYSA-N
-A0E5A473B3232E9A_BAA9334C4D7747D1_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CCCN(C2=CC=C(C#N)C=C2)CC3,JIIQYAWOLNOXJF-UHFFFAOYSA-N
-A47EFB24E492BE77_7C4D3651ABD82796_6039_UN,O(CC1=C(C=CC=C1)C2CC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,SJDBPBFEZROHJN-UHFFFAOYSA-N
-A7064603F42929A7_8B7054EA9D001649_6041_UN,CC2=C(C1=NSN=C1C=C2)NC3=C(N(C)C)N=C(C=C3)C,WTONPPYVNFJLDG-UHFFFAOYSA-N
-A9A67E380ABF8509_D00C91B990794DEA_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=CN=C(N(C)C)N=C2)N3CCOC3=O,RMGKALPJGRECDC-UHFFFAOYSA-N
-AB50143F1E027621_EC91F27665EF57E1_6041_DP,N3CCC1=C(C(=CC=C1)NC2=C([S](C)=O)C=CC=C2C)C3,UXRJIQAPLBRFRO-UHFFFAOYSA-N
-AD0336351359D8F9_CD4718BA2D52BAFD_6041_UN,C1(=CC(=CC=C1)[N]2C=NN=N2)NC3CCN(C)C4(C3)CC4,YWBOTFLUSWOFKC-UHFFFAOYSA-N
-AD04804BA4105B07_927A2B9C9EF4A275_6026_UN,[S](=O)(=O)(C2=C1CCCC1=CC=C2)N3CC(C)(C)C4=C(CC3)C=CC=C4,QNAYPZYZVKJWKB-UHFFFAOYSA-N
-ADDEDD8571C2D30A_E2D8AB9930D5E781_6029_UN,C1CCC3=C(N(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O)C=CC=C3,SCWHCPXKEKDOPE-UHFFFAOYSA-N
-B2488B307F3D2905_A23AA10A515015CF_6029_UN,C1CC2(CC1)C5=C(CN(C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O)C=CC=C5,HVSRDZBSGAJUQQ-UHFFFAOYSA-N
-B2AC18FE26F99AF1_127C3DF0EB56A98A_6039_UN,CC2=C1C(CCC1=CC=C2)OCC(OC)C3=CC=CC=C3,FQXZDMMXYKCZBS-UHFFFAOYSA-N
-B4E70D8977E05AC5_86AC1783FF4E4DAD_6041_UN,FC1=C(C2=C(C=C1)OCO2)NCC3=NN=C(N(C)C)[NH]3,KKWKPNYKEBBIOG-UHFFFAOYSA-N
-B94BB0DA877F3756_D30CBE4030FE7CB5_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,PMROTSJHPNAWOS-UHFFFAOYSA-N
-B98D3420D61BC906_6412F0AAA4A08EB1_6029_UN,OC1(CN(C1)[S](C2=NC(=CC=C2)[N]3C=NC4=C3C=CC=C4)(=O)=O)C5=CC=CC=C5,CNVYNFBNVSCPLD-UHFFFAOYSA-N
-BAA45D2CEF29764C_8AA3449EA95DBEF9_6028_UN,C2CCC1=C(C=CC=C1)N(C2)[S](C3=NC=C[N]3C4=CC=CC(=C4C)C)(=O)=O,RSHOFHNUKLQMJF-UHFFFAOYSA-N
-BE2C4D142A91B4B1_E6E1F35205FCC7E1_7022_UN,COC1=C(C(=CC=C1)N[C@@H]2[C@H](C2)C3=CC=CC=C3)OC,NOZPGURBRLRTKK-HIFRSBDPSA-N
-BECC3DD22E165B36_55C96FC0AAF513D4_6041_UN,C2(=C1C(COC1=CC=C2)=O)NC3=CC=C(C(OC)C)C=C3,ITPVJYHPPKIFOB-UHFFFAOYSA-N
-C154FDDF389E46DF_487F4F18953DEAD9_6029_UN,C1CN(CCN1[S](C2=C(C(F)F)C=CC=C2)(=O)=O)C3=CN=CC=C3,AIRLLCNDHIBTPC-UHFFFAOYSA-N
-C34D2E9CF42E4687_6B6C4936B74FD17E_6041_UN,FC1=C(C2=C(C=C1)OCO2)NCC3=NN=C4[N]3N=C(N(C)C)C=C4,AJDFJBTYRWKSEY-UHFFFAOYSA-N
-C62C5B1500C89AC2_FB7F071F1BB90118_6027_UN,CC1=C(C(=CC=C1)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O)C,AVRIRVRCCNJKRM-UHFFFAOYSA-N
-C62C5B1500C89AC2_FB7F071F1BB90118_7015_UN,CC1=C(C(=CC=C1)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O)C,AVRIRVRCCNJKRM-UHFFFAOYSA-N
-D06454D4875790BE_492ECF9CF6AB05A8_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)N[C@H]3[C@H](OC)CC3,JNMMZSNYJSHZDH-IAGOWNOFSA-N
-D0F244E8BEBAC205_BAF40B4A0ABBB8BA_6026_UN,CC1=NC2=C(C(=C1)Cl)C=CC=C2[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,SAELUBPDFOBGLN-UHFFFAOYSA-N
-D3C17B6FFF888E0E_BDD2C4A771AE4476_6029_UN,CC1=CC=C(C=C1)C2CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,DXFINUTVXRTXII-UHFFFAOYSA-N
-D517DB39A48D0D90_DC643BA63D8C107D_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C(N(C)C)N=NC(=C2)C)N3CCOC3=O,KKVKWSYJSMWOSG-UHFFFAOYSA-N
-D77417A3EA783D9C_7E60E19D2CD94767_6038_UN,N(C1=C(C=CC(=C1F)F)C#N)C(C2=N[NH]C(=C2)CCCCC)=O,CSGYGPPPUTXJEC-UHFFFAOYSA-N
-D831031D9E9D0E0F_508371E87573959F_6028_UN,C2CCC1=C(C=CC=C1)N(C2)[S](C3=NC=C([N]3C4=C(C=C(C)C=C4)C)C5=CC=CC=C5)(=O)=O,OVMPPUUOTKPFIW-UHFFFAOYSA-N
-DAC08DC659CC06D1_CD81586E9741524F_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,ZZFLYISHTYRWFR-DLBZAZTESA-N
-DC24E711B7AFE126_5CE6D0CA80F15A4E_6034_UN,CN(C)C1=CC(=O)N(C=C1C2=CC=CC=C2)C[C@H](C3=N[NH]C(=N3)C)N,HKBPTYNFOFTRCV-OAHLLOKOSA-N
-E0C9ECCD79D7C06D_79971732B8DCE8E3_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=CC=C2)N4CCC3=C(C)C=CC(=C3C4)F,NIFUHVBINIYTFD-UHFFFAOYSA-N
-E1F67AB3848A9530_9E40ABA744C19D80_6041_UN,COC1=C(C=C(C=C1)N[C@H]2[C@@H](C2)C3=CC=CC=C3)OC,LJHRGZISOYDOQT-LSDHHAIUSA-N
-E49614EAA0579110_959D45B848798D1F_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O)C=CC=C4,YDDYBHMSQGSFOB-UHFFFAOYSA-N
-E4DAD03FC487C183_CADB1A61716691F1_6039_UN,O([C@H]1C[C@H](C1)C2=CC=CC=C2)CC4=C3N=CC=CC3=C([N](=O)=O)C=C4,IQHYCSYUYQNHAN-CALCHBBNSA-N
-E659DF707109856E_D085AAD004007659_6038_DP,C[N]1N=CC=C1C(NC(C2=CC=N[N]2CCN(C)C)=O)C(=O)O,GTTDXSRUQGRDNB-UHFFFAOYSA-N
-E980D765A4534E2C_2D02D718D3E0F4E8_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=CC=CC4=C3OC(C)(CC4)C,GAHIXBHSIOPKPD-UHFFFAOYSA-N
-EFBAA48BA98FDAF7_30779128326369BE_2201_UN,CC2CCC(C)C3=NC1=C(C=C(C=C1)[N](=O)=O)C(=C23)C4=CC=CC=C4,IIOKNJKNYGOJMG-UHFFFAOYSA-N
-F4B1622E159A95AB_3A536D7208BF5A21_6027_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,SFBLMPXMXXFWBQ-UHFFFAOYSA-N
-F575AE363A522B30_9F01CE5BC7DF7CED_6003_UN,CC2CC(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2,QAYDOPSQBYLNRV-UHFFFAOYSA-N
-F60AE16E16AE98CF_613386A0B929F9A1_7019_UN,COCCC1=NC(=NO1)C=CC3=CC2=C(C(C)(C)OB2O)C=C3,FVQCRDSPJAGGFQ-UHFFFAOYSA-N
-FA1E9247025B1928_068072629AC9CB44_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CC(F)F)C=C3)(=O)=O,VQOXIYNIBCXWCX-UHFFFAOYSA-N
-FD81F76C0415F43B_655830F2E78B33C6_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C(C2=N[NH]C(=C2)CCCCC)=O,GGXBAUVBCQWVKY-UHFFFAOYSA-N
-FE42966973A726E0_0DB22D4AAAD5D4C9_6029_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,WZEGDBFJLRXOSU-UHFFFAOYSA-N
-00B8868FBC82EAD8_EC50F43650923841_6038_UN,CC(C)OC(=O)CCCNC(C1=CN=C(N(C)C)C=N1)=O,DTLKRNCPAIMHKV-UHFFFAOYSA-N
-012A946C1EF925FF_925EF86C4B1EA423_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O,DVIIGUQBDNCHCN-UHFFFAOYSA-N
-023F4C2EB03C5148_2540C72576AC58F5_6041_UN,O=[N](=O)C1=CN=C([NH]1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,ALSODCPAOAMEEN-SNVBAGLBSA-N
-04F8F973548DCBEF_1B80469315BAAB8F_6034_UN,ClC2=NC=C1C(C=CN(C1=C2)CCC(CC(C)(C)C)N)=O,VCTOXFQRBGNMIS-UHFFFAOYSA-N
-04FC11C4DBD26DEF_EB38FC19F88EF4D5_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,FNEQCBJNCXBKPB-UHFFFAOYSA-N
-06192726082C316F_6D6F470369964037_6029_UN,BrC1=CCCN(C1)[S](C2=CC=C(OCCN(C)C)C=C2)(=O)=O,COXYBVWMJLHNDZ-UHFFFAOYSA-N
-076AA54001462FCF_0964A7FD2A0F09C8_6041_UN,C1(=CC(=NC=C1)N2CCC(=O)CC2)NCC3=CN=C(N(CC)CC)C=C3,ZZGXSSKZRGETCF-UHFFFAOYSA-N
-0785AD4B79F2FC48_5FDE0A7FF57CA497_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C3=C(F)C=CC=C3F)(=O)=O,RCLLCMBPACVOCI-XYPYZODXSA-N
-08610667830F01AE_D89B6D6AC207FA0A_6029_UN,ClC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,JUQGSDCUHFSBHT-UHFFFAOYSA-N
-09B02E4D03A37EAE_16188419578BDD42_6038_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)C(CCC(N(C)C)=O)=O,LUCOQZQUMRHYHD-UHFFFAOYSA-N
-0A0B099A040DDB1B_B4A2E8BBE562F070_6028_UN,C1C(CN1[S](C2=NC(=NS2)C3=CC=CC=C3)(=O)=O)OC4=NC=CC=N4,FOEIAZKBSRGMJF-UHFFFAOYSA-N
-0A1D1C2926E5E811_739A7657CED3635F_6028_UN,C1CC(CCN1[S](C3=NC=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O)C5=CSC=N5,FFKWUQWDGDYBTE-UHFFFAOYSA-N
-0B4DFB80D9DF3A46_C6F00C55C4CECAF7_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C=CC2=CC=C(C(OC)=O)C=C2)=O,WRCRFMINSGLUDI-GFCCVEGCSA-N
-0C89CBC0579ECDAB_3AC226D701E6BDFF_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)C=C(C=C3)[N]4C=NC=N4)=O,WHBLWMINNSEQHS-IBGZPJMESA-N
-0E38F36AC872531C_A7D4E5D13FCCCF0F_6029_DP,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C4=CN=C(N3CCNCC3)C=N4)(=O)=O,FBIQCDPMKOHMCQ-UHFFFAOYSA-N
-0EC619F3A19D819E_96BE82186FCD24E2_6029_UN,N(CC(O)C1=C(C=C(C=C1)F)F)[S](C2=CC(=CC=C2)C=C)(=O)=O,SYSRZLCHVQTPIX-UHFFFAOYSA-N
-10A6D2994764D4F3_C170CF9EE937E174_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N([S](C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,FKRYOZHKEDZJIO-UHFFFAOYSA-N
-126F2258D8A661D1_74B7F9EC2F3A72DA_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CN=C(C)[N]3C4=CC=CC=C4,VOXHNTPSHVYVJT-UHFFFAOYSA-N
-1382587DEC498219_FFAB7A63493DA524_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,JGUAHBWGKRBWLI-UHFFFAOYSA-N
-14BF1320C7C6B30A_21E16D6112E3631F_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=CC(=C(F)C=C3F)F)(=O)=O,YKUXCYDFQPVAOQ-UMSPYCQHSA-N
-14D82A16F46F6FAB_5EC23BA3ED34E0A3_6041_UN,CC(C)C1=CC=C(C=C1)C2=CN=C([NH]2)NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4,LJVLOSHXWBQOOF-UHFFFAOYSA-N
-14F3B0B02A209E96_96D7A9A141E627B2_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4,YOGBJIUYSPPAEA-UHFFFAOYSA-N
-154C3709B9EC9268_3A74F0C6A9D42DF0_6029_UN,CN(CC1=CC2=C(C=C1)OCC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,MDTBGEFUOWQUOU-UHFFFAOYSA-N
-16A7ED9F330A1F24_12C29BD5D9131955_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC(C2=C(C)C=CC=N2)C3CCC3,HYMGIACCGCZVRP-UHFFFAOYSA-N
-16D08CD3225064DF_AEBE0FC43A0EBFE6_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@H]3CC[C@H](N(C)C)CC3)=O,MHCKDGBMJOEXBX-OTVXOJSOSA-N
-16DD24748E7DB01B_2DBF9430A0386C02_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NCC4=C(C[S](C)(=O)=O)C=CC=C4,GEUJGJPAFUECLH-UHFFFAOYSA-N
-16EB465EB9048A36_2FDDF6283D6BFB55_6036_UN,C(C1=CC=C(C=C1)OC2=CN=CC=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,QVYGWLMXOFQDDV-UHFFFAOYSA-N
-1765B295C3472F40_4068052B96B77569_6036_UN,CC1=NC=C(C=C1)C(C2=CN=C[N]2C)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,VQNBHPINQWUUBU-UHFFFAOYSA-N
-17C463B4FA2DD2FF_5727919A73071978_6029_UN,C1CC(=CCN1[S](C3=CN=C(OC2=CC=C(Cl)C=C2)C=C3)(=O)=O)C4=NC=CS4,RZJCQIAHYJARGC-UHFFFAOYSA-N
-185A4B006A948EB2_6DD7C42A28032DA9_6041_UN,FC1=CC2=C(C=C1)N=C([NH]2)NC3=C(C=CC(=C3)C)O[Si](C)(C)C(C)(C)C,VTJOXNYTZXQBHD-UHFFFAOYSA-N
-1A64C744775FCC3F_2EB0FB9598129B68_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,CXUBXLDAUNPGGD-UHFFFAOYSA-N
-1B3C540B636B1766_83C005B2802D0C98_6041_UN,C1(=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=CS3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,LKQNRBWQHXSQGG-UHFFFAOYSA-N
-1EA28001A6F69D5B_DA40248E5843CA36_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=CC(=C3)CC(C)(C)O)(=O)=O,QVPXNWMXVRYQEA-UHFFFAOYSA-N
-1F00A646EB95993B_F73BB5AFD50CCFCA_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(F)C=CC=C3Cl)(=O)=O,PGZVQEKGIWWYBX-AULYBMBSSA-N
-2147101068C3B4FD_6964923EF3382986_6036_UN,CC1=CC=C(C=C1)[N]2C=CC(=N2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,JKYGPKSSICIJKL-UHFFFAOYSA-N
-21EBB27B13D38516_5A36252E3EF4B1BA_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,YTQCSAHKLVJSGX-UHFFFAOYSA-N
-2397D0A2FFBFBCDA_07120B724A36921E_6036_UN,CC(C1=CC(=CC=C1)[N]2C=NN=N2)N(C)[S](=O)(=O)C3=C(C=CC=C3)N4CCNCC4,KUWZQFCLQSCOBP-UHFFFAOYSA-N
-2532C89FB26926CA_601F3E2F938B5FC8_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(N(C)C)=O,LRDCIFQZCUTKEN-UHFFFAOYSA-N
-26FCA0072C647690_990782D2AF2F468A_6038_UN,CC1=NN=N[N]1CCNC(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,KIFWQCBHDSFPST-UHFFFAOYSA-N
-2800559CB176DF4A_D097B57B6BF0132A_6038_UN,S(CC1=C(C=CC=C1)C2CC2)C(CC3=NN=C[N]3C)=O,QOABHTYTBFLYAB-UHFFFAOYSA-N
-28351EE773C0EBBD_A2E09F4CE92E83CB_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=CC=NC=C4,KOPNTTNPWNKLRC-UHFFFAOYSA-N
-28539C49FFB618C3_8B7028AF85A80E9C_6038_UN,NC(=O)C1=CC(=CC(=C1)NC(=O)C2=COCCO2)C(=O)N,OPMRNIDTWAHPIK-UHFFFAOYSA-N
-28FEC469111436D8_DD3E7DE01D496F6F_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=CC=CC(=C3)C(N(C)C)=O,WPYNZZMIGZXKJR-UHFFFAOYSA-N
-29608A10CD397E1B_6AB79E2BB8853532_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=CC(=C(F)C=C3)C=C)(=O)=O,GCBHGBWHFVRACV-BLLLJJGKSA-N
-2A2D9D420EA1A467_182E7B3FE472FF78_6038_UN,NC(=O)C1=CC=C(C=C1)NC(C2(C)COC(=O)OC2)=O,SZOPXTHHJKLHAM-UHFFFAOYSA-N
-2BB6BB3448EDF129_C1778ADDDA1F77CA_6041_UN,CC(C)[N]1N=CN=C1NC3=C(N2CCN(C(C(C)(C)C)=O)CC2)C=CC=C3,CQFLGLLTBVDGQP-UHFFFAOYSA-N
-2C342AC89D568F1D_67B511E48F3EBED0_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[N](C)C=C3Br,NWLGILTUCUJLBC-UHFFFAOYSA-N
-2D3C2D0712C059A9_950D40FA53D38BA4_6034_UN,ClC1=CC=C(C=C1)C2=CN(C(=N2)C3NCCC3)C4=C(C)C(OC4)=O,NCRCFTUOGUEDQQ-UHFFFAOYSA-N
-2E3E8E53996A1A39_523DE61C5EB55B79_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCCC4=C([S](C)(=O)=O)C=CC=C4,WAPHMMTVIJMSKM-UHFFFAOYSA-N
-2F383E42901C05D1_D7CAF3C355C34DC5_6028_UN,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,HNQDQLPTXYCZEU-XJKSGUPXSA-N
-2FA51DDDDDDB7616_50E7AD0E7E5EDCDA_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)N[C@H](C(N(OC)C)=O)C,XTPFVDIJKROHTA-QMMMGPOBSA-N
-3014F35AF914C58B_DA41C8985B9DCE8D_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=C[N](C)N=N3)(=O)=O,BKLYOUVITDVNCF-UHFFFAOYSA-N
-3116291C68A51D4B_7C1366CA1E02E306_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCC3=C(SC)C=CC(=C3)Br,PDQTXHSKOAMEBK-UHFFFAOYSA-N
-31FC521EC8D938A6_871A965EADB8CE67_7019_UN,CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(OC)C=C2)CCl,PORLRGJVSOIIKS-UHFFFAOYSA-N
-332D0AAB3593DFBB_88431C9DFFF2DFF6_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,YRHOYNTVWBLCBO-UHFFFAOYSA-N
-33A84F886D75A1B1_0AEFDDAF9B1E1BB5_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2C3=C(OC(C)(C2)C)C=CC=C3,IPAFTOZYRXEIHT-UHFFFAOYSA-N
-343790CD372C3F5F_D191F0C1B5BCBCF3_6029_UN,OC(COC1=CC=CC=C1)CN2CCN(CC2)[S](C3=CC=C(CC(C)C)S3)(=O)=O,UZBWKMXPZFOQDL-UHFFFAOYSA-N
-34459A8EF234BA81_BC4DFE76219827D5_6029_UN,CC1CN(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,KYBWHPMDKXMFME-UHFFFAOYSA-N
-3516FB0295FF397D_046BCBE9F5912A38_6029_UN,C1CC(CCN1[S](C2=C[NH]N=C2C3=CC=C(Cl)C=C3)(=O)=O)C4=NC=CC=C4,MJQFUYWQBGLKEA-UHFFFAOYSA-N
-36A549FD07506ADD_D655D2A8EA472BE8_6006_UN,FC1=CC2=C(C=C1)N=C([NH]2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,UYAXYJUFXIGYOK-UHFFFAOYSA-N
-376B92740633C529_5393059077BE85F8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=CC=C(OC4=CC=C([S](C)(=O)=O)C=C4)C=C5,HLSHJFFWJLWRRA-UHFFFAOYSA-N
-3918A2D715D63E31_6BAF0E48A232C310_6029_UN,C1C=C(CN1[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O)C4=NC=CC=C4,LXWJRUUSKRPESS-UHFFFAOYSA-N
-39685C587C994CFE_B16DED64F7E6046E_7019_UN,C(C=CC1=CC=CC=C1)=CC2=CC(=C(OC)C=C2O)C,FUTOIQXNCGOMES-UHFFFAOYSA-N
-3A25D7314CBD1D2A_3FEA9C6FEC87314A_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(Cl)C=C3)Cl)(=O)=O,WQWCWAAPFODYKM-OTCDBFHCSA-N
-3B800FD471BA84E2_E08AAB60F647E87C_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4(C3=CC=C(C(C)(C)C)C=C3)CCCC4)F,GFCYGCZGNGJJOH-UHFFFAOYSA-N
-3BA7BA610FD92F87_796546073452CBF6_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCC(N(C)C)=O,LZWNJANIYHQJHR-UHFFFAOYSA-N
-3CA2D4BB53FCABAB_5762D4F92CE96105_6038_UN,C[C@@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC=N[N]2C,SVSCBJMJCYNIQP-SECBINFHSA-N
-3D47F16405922AE3_BEF7AA83D4CCF31D_6038_UN,CC2=C(NC(C1(C(N)=O)CC1)=O)C=N[N]2C[Si](C)(C)C,BRJOPLKTLBWDCF-UHFFFAOYSA-N
-3F320DBBA4DF3AAC_E25662FA0C45F5A2_6028_UN,C1C=C(CN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=NC=CC=C5,RZAKJWJIHIJFLX-UHFFFAOYSA-N
-3FC49354E57F9359_6F4F3BD29A69C134_6038_UN,CC1=CC(=C(C=C1)NC(C(NO)CC2=CC=CC=C2)=O)C3=N[NH]C=N3,XYINNXOEOBDVSZ-UHFFFAOYSA-N
-41521D7F7F2E8F14_3F231D30E49856AA_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3)F)(=O)=O,CTOFIRXWLLLIAT-OTCDBFHCSA-N
-41F16B60FBB462B9_6387316A739C3749_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)F)[S](C3=C(F)C=CC=C3F)(=O)=O,LLKNSCXFGCNADC-XYPYZODXSA-N
-42965A1FFF0F3375_BA6C848A4CCF2D59_6038_UN,CC(COC(CCC(N(C)C)=O)=O)CC1=CC=N[N]1C,KUVLBHPOGQDMPB-UHFFFAOYSA-N
-42F0747A862CD3EB_8322FFFB81C80AF0_6039_UN,CC2OC(=C(OCC(NC1=C(C(O)=O)C=CC=C1)=O)C2=O)C,JEXFVPVDMRZEDS-UHFFFAOYSA-N
-4358AF78FBA9169E_50BB36D2EC58A046_6036_UN,CC(C1=CC=C(C=C1)[N]2C=NC=N2)N(C)[S](=O)(=O)C3=CC=C(C=C3)N4CCNCC4,PTTKLOCDFHGWLW-UHFFFAOYSA-N
-436016F485D55F26_761C4F6D0E0F3071_7019_UN,C(C1=CC(=O)NC2=C1C=CC=C2)=CC4=C(O)C=C3C=CC=CC3=C4,KWBYERYMMXNGQZ-UHFFFAOYSA-N
-44F1448A4141845D_D680D193688C1D7C_6029_UN,N(CC(CC1=CC=CC=C1)C(F)(F)F)[S](C2=CC=C(SC)C=C2)(=O)=O,MERQVBVUEVWFSZ-UHFFFAOYSA-N
-45566C0831A52975_605584C8117ABC90_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC(C4=CC=C([S](C)(=O)=O)C=C4)N,FXSADJKSAFSUCF-UHFFFAOYSA-N
-46157A77EFE6778B_16421DFC98A99C0C_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C=CC(=C3)CO)O,XZPGKEDAHFFRLI-UHFFFAOYSA-N
-475248C963678001_749E299DA3E41734_6036_UN,CC(C1=CC(=CC=C1)[N]2C=CN=C2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,RZFCIUOBSSCZLS-UHFFFAOYSA-N
-47D93089315AEBDD_92ED2F1B71FD6792_6028_UN,C2C[N]1C=CN=C1CN2[S](C4=NN=C(C3=CC=CS3)[N]4C5CC5)(=O)=O,UHQCHEBVSLFCIW-UHFFFAOYSA-N
-48DE58C9760EFC5A_F4B871808916EEDB_6038_UN,CC(NC(=O)[C@@H]1C[C@@H]1C#N)C2=CC=C(C=C2)C3=N[NH]N=N3,YNWRVIIFPQVUFA-OXRXOVLSSA-N
-49ACDB75443D792F_2616B17495800FAD_7022_UN,CN4CCN(CC1=C(C=CC=C1)N([S](C2=CN=C(Cl)C=C2)(=O)=O)C3=NC=CC=C3)CC4,HSPVXYBBZXKJSK-UHFFFAOYSA-N
-4A7F57416004D5A4_483471731D6E5B74_6029_UN,CN(CCC1CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,AKXVFUWVXFNMND-UHFFFAOYSA-N
-4D5A20DF32B929F9_7F7BED14E082E348_6029_UN,CC1=C(C=C(C=C1)[N]2C=CC=N2)N[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,KJLHIAOWFVHFKV-UHFFFAOYSA-N
-4E5B273B86916715_B91A413CDE286EA0_6038_UN,C[N]1C=CC(=N1)N4CCC(NC(C3=C[N](C2=N[N](C)C=C2)C=N3)=O)C4=O,SCRHICICDXDTSQ-UHFFFAOYSA-N
-4EEE44367FD70282_42DA9679F013F061_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C4=C3C=CC=CC3=NC(=C4)C5CC5,FXCVIPAFHSZWNB-UHFFFAOYSA-N
-516E550B1C9FEF8E_BECC6D326F0A7CAE_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4(C3=CC=C(C(C)(C)C)C=C3)CCC4)F,DIFBXINHFAAFHN-UHFFFAOYSA-N
-51AAE58587C7DCBD_100462B513555D04_6041_DP,CC1=N[NH]C(=N1)C2=C(C=CC=C2)NC(C(O)=O)(C)C3=CC=CC=C3,MITKESJWMHGYRX-UHFFFAOYSA-N
-51E4F3224815EEF0_0A6AA5FA32139103_6028_UN,CC1=C(C(=CC=C1)C)N2CCN(CC2)[S](C4=NN=C(C3=CC(=C(C)C=C3)C)O4)(=O)=O,JDINCUNQZNFGCV-UHFFFAOYSA-N
-521D55C22207502A_C0BAB3EBD26DE064_6034_UN,ClC2=NC=C1C(C=CN(C1=C2)CC(CCC(C)(C)C)N)=O,RVMSRDUXFRGIOV-UHFFFAOYSA-N
-53915F60DFAEBADB_2CC6442FC6150300_6041_DP,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(OC3CCNCC3)C=C4,ILOLAVHRTKTTPQ-UHFFFAOYSA-N
-53E138B929484E9E_5A737F6D73EF5AF2_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(Cl)C=C(C=C3)I)(=O)=O,QIBPCDLBKQWARG-OTCDBFHCSA-N
-55580362AF192B17_986BCAA5241F6A60_6038_UN,CC(C)C[C@H](NC(C1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,LFONAXUNDKZXER-NSHDSACASA-N
-556C570AD2B8233C_EFFAB786719860EF_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=C(C)[N]3CC=C)(=O)=O,RTXWVLGTHCPBAO-UHFFFAOYSA-N
-5637D18F95200131_B31ABB85ABDEE9EA_6029_UN,C1C(CN1[S](C2=C(SN=N2)C3=CC=CC=C3)(=O)=O)OC4=NC=CC=N4,YNLYHMBVGLFZHF-UHFFFAOYSA-N
-56CF7D134CCA6CE0_4642A03A9766AABE_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,MAAWGSYYFWSUOP-UHFFFAOYSA-N
-574F9F35DA837F17_3C0782053B98DD2D_6003_UN,CNC(=O)C1=C(C=CC=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,OEXSASMMRCPZOC-UHFFFAOYSA-N
-575B1EEA7E31AACF_BD7C1DD843D7CC56_6003_UN,CC3=C(OC1=CC=CC=C1C(NC2=C(C(O)=O)C=CC=C2)=O)C(=O)OC3,HRKJWSZISYFIDJ-UHFFFAOYSA-N
-575EE315F657CFC6_9A184EC71967FB1D_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,RTTOHKRCPNYJPS-MJHDQNEOSA-N
-58798DB221FC56FC_15FEBAC44192D0A4_6041_UN,F[S](=O)(=O)CC1=C(C=CC=C1)NC2=C(C)C=C(C=C2)N3CCSCC3,GXCQBZFENTXHMK-UHFFFAOYSA-N
-5894A155532F9A5F_209381295240760E_6003_UN,O(C1=COC=CC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,GNLRGXFFMRBDQY-UHFFFAOYSA-N
-5BDB761BA15241BA_B6EB13F6EFEEE060_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC)CC2=CC=C(C=C2)[N](=O)=O)=O,YZCJGGPLXLEXPA-YUZLPWPTSA-N
-5C64413DB5998CDB_7DAE74426C2966AB_6029_UN,CC1CN(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=NC=C4,LHUGHVZKDBHPQI-UHFFFAOYSA-N
-5CB616B5F22FE09A_4699BED633E8F31D_6038_UN,CN(C)CC(NC(=O)C1=NNC(=O)CC1)C2=CC=CC=C2,AJQKVMSJESGCBK-UHFFFAOYSA-N
-5CDCC764539FD1E0_D25BFE0C57371ABA_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC(C2=C(C)C=CC=N2)C3CCC3,PGNBDOOZSNUAPH-UHFFFAOYSA-N
-5E7A5D4DFD7D0FAC_2B977875374E7BC1_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C(C3CNC3)[NH]N=C4)=O,IBARNOISRJYYPT-AWEZNQCLSA-N
-5EBADC288EBBCBEF_1AEC8EC0B45FDB03_6038_UN,CC1=CC(=CC=C1)[C@@H]2C[C@H](C2)NC(C4=C[N](C3=N[N](C)C=C3)C=N4)=O,GFYGOKWPUQCFKF-WKILWMFISA-N
-5F382A9DA8FCC1A8_BAEF14B7A15FA347_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=CC=C(C3=NN=C(C)C=C3)C=C4)=O,MYYQGAIVAGPOIX-OAQYLSRUSA-N
-60603BF82192812B_A56BFBA010EB299A_6038_UN,CC1=N[NH]C=C1CNC(C3CC2=C(C)C=CC=C2O3)=O,CACGTTJEBOYMSX-UHFFFAOYSA-N
-608BE5F2F87C70A1_1807ACA95FFD368D_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)F)[S](C3=C(Cl)C=CC=C3Cl)(=O)=O,GWRORYROTZCWCI-XYPYZODXSA-N
-6430986DA0B558A9_7AA31CA4F9DCDB25_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,SJCCANHRGNATCM-UHFFFAOYSA-N
-643F478080ECFA1F_80843B2D839E9424_6041_UN,CC1=N[NH]C(=C1NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3)C,OFBVOCJPBFZOGF-UHFFFAOYSA-N
-645347B44926AB5A_17CC01A65BF28D31_6035_UN,CC(OC1=CC(=CC=C1)[N]2C=NC=N2)CC3=C(C=CC=C3)[S](=O)(=O)C,MQDLNLGXFVMKPN-UHFFFAOYSA-N
-64563FD593A93C66_2CA382122A798E2A_6003_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,IDGRGIDAKOGSSD-UHFFFAOYSA-N
-653D1F01F72C009A_C586236DAE4AAC36_6029_UN,C1C=CCN1[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,GYYMNPREYGTTKN-UHFFFAOYSA-N
-65625204F3C60560_8D577F883D91C588_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,JVYURDTUIITOHL-MJHDQNEOSA-N
-65B76025ED3BB9D6_A267FE01DB0A482A_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,ZDNYDDODYMMOSX-XYPYZODXSA-N
-668DE26C6F40C4F1_9567C6D8D1F04787_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C[S](C)(=O)=O)C=C3,OFEDTSWHCFXKSC-UHFFFAOYSA-N
-67D4BBED0B2A5B02_0CBE3E9CC96D06AF_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Cl)[S](C3=CC=CC(=C3C=C)F)(=O)=O,UEEBSBCPDKRLSQ-IAQYHMDHSA-N
-68BD5A1EF5B2C9FC_4C04A05CCBCD1BD4_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2CCCOC3=C2C=CC=C3,IMINMWVQTDFHHU-UHFFFAOYSA-N
-6AE67699EC72A650_9E7A3461BAD9AFB0_6028_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,AAGZCVVZIJICJN-IAQYHMDHSA-N
-6AF3E03B45F13206_FAA5D03BE51BEBD2_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC(=CC=C3)F)=O,GTZBWWPWRTZAEG-UHFFFAOYSA-N
-6B64DB1E141F2922_E84A733E8EE0E1A5_6029_UN,N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[S](C3=C([NH]N=C3)C4CC4)(=O)=O,SZROYMOEKIBRON-UHFFFAOYSA-N
-6B9D164E43CCF475_07FB0A86E8E88B8B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=C[N](C3=C(C)C=CC=C3)N=N4,OGQXLUHFHZXVFG-UHFFFAOYSA-N
-6D4E25DD1F7670CE_3EAE88D8C73B3E02_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)Cl)[S](C3=C(F)C=CC=C3Cl)(=O)=O,BIBRSZPIVKGUHH-AULYBMBSSA-N
-6F1743E74566F616_48913B30D18A9A02_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C3=C(F)C=CC=C3Cl)(=O)=O,HXXYEUMFLKNVFR-XYPYZODXSA-N
-6F9B5791EAD9817D_F5A6F2E019C4C265_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=C(C=C3)Cl)(=O)=O,IHXRFHSUKAWQQT-OTCDBFHCSA-N
-6F9E35C863859A1D_E432C197F62056D2_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C(C)C)ON=C3)=O,LRRLNYAOIPKCEO-UHFFFAOYSA-N
-701DA29D8E0DE8A1_CE5B86EA9741D903_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CN=C4C=CC=C(C)[N]34)=O,AQTOEEOKUIIWGA-INIZCTEOSA-N
-7034DAAA42B0EA5F_C9CDC6486E67A645_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4=CC=CC(=C4)C(C)(C)O,XCVBSFRXKPGARF-UHFFFAOYSA-N
-7101BE5C8D13FC02_F59ABA1E66D2FD54_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C([N]3N=NC=C3CO)C=CC=C4)(=O)=O)C,KBRWKSYLNLLESQ-UHFFFAOYSA-N
-73AA16A3CBCEE2A6_DBD363A44AF96E0C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CC=C(C(OC)=O)C3,BVFCVCKCDCWVOM-UHFFFAOYSA-N
-762673575BEF9D1B_0BAD3ABA87B1AA91_6036_UN,C(C1=CC=NC=C1)(C2=CC=C(C=C2)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,CIQFCZQKOKHYRC-UHFFFAOYSA-N
-7728CEC1CDBDB025_C087A4B2B7C7746C_6038_UN,CC(C)C1=CC(=C(C=C1)OC(=O)C[N]2N=NN=C2C3=CC=CC=C3)B(O)O,NJDCEFOXBYMKJA-UHFFFAOYSA-N
-780B0C87A405E827_6A98127DE12E9DCC_6036_UN,CC1=N[N](C=C1)C2=NC=CC(=C2)CN([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,YMMCXNMSRCLRJR-UHFFFAOYSA-N
-7870924853F72EA2_C03304D28E51A1C4_6041_UN,SC1=NN=N[N]1C2=CC(=CC=C2)NC(C)C3=CC(=CC=C3)N4C(OCC4)=O,RKKHHBQENBEMQQ-UHFFFAOYSA-N
-7A2BD87BBA9B0353_583E4F8E3213C17B_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C(N(C)C)O3)=O,IKSDERWBWASOMM-CYBMUJFWSA-N
-7B405911006CC005_29E1B997E3CD0097_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)Cl)[S](C3=C(F)C=CC=C3F)(=O)=O,JOMPKOURHANROV-AULYBMBSSA-N
-7CF3BF095B5E7961_CD8B92AD9A5E3233_6041_UN,C2(=C1C=CC=NC1=NC=N2)NCC3=CC=C(C[S](C)(=O)=O)C=C3,QHEXUVSBKVQHEZ-UHFFFAOYSA-N
-7CF6EE844100C2BB_9D2FF7D261A24F9D_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC4=CC=C(N3CC(C)(C)C3)C=C4,FXULYLMWWJBGAX-UHFFFAOYSA-N
-7D11E89EF510B3FC_70A90B1770313AE8_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C=CC(OC)=O)=O,JGVXOQHBZAQVLK-UHFFFAOYSA-N
-7DD9FFB55CE5A6C0_5D1AB2DCFE84B2E2_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=CC=C(C[S](C)(=O)=O)C=C4,UOXAWHHUKVTBEX-UHFFFAOYSA-N
-7E51AA63D34064E1_DAF1322E84C8062C_6029_UN,C1CC(=CCN1[S](C2=C[NH]N=C2C3=NC=CC=C3)(=O)=O)C4=NC=CS4,RDTWXYLCIYJIGY-UHFFFAOYSA-N
-7EB832ED2D71D1D4_EC2A024020C41E43_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=C(C[S](C)(=O)=O)C=C4,OTMLMSPMLPHTSW-UHFFFAOYSA-N
-7F0725AD25E4C1B1_D1364C87AD044ADA_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C(CC[S](C)(=O)=O)C=C4,LVIRIUFJJQJZNY-UHFFFAOYSA-N
-7F376CAA8A38510C_CF7AB1D64E7B95E7_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)N[C@@H](C(=O)O)C3=CCC=CC3,VTUJBZXCBVQOTR-CYBMUJFWSA-N
-801BBE4C1BFAB54E_9C6B1D695EDF808F_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,LAJIJYMJZHYELG-MJHDQNEOSA-N
-80F029EC62624430_D61716263F9A3A22_6026_UN,ClC1=C(C=CC(=C1)CC#N)[S](=O)(=O)N3CC=C(C2=CN=C[N]2C)CC3,NRAVQEHRLRHZBW-UHFFFAOYSA-N
-8236F91F1CEE1322_8C53B5E8DFE9F091_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C3=CN=C[N]3C)N,TZOIASKJFXLCBF-UHFFFAOYSA-N
-82CF3A4AEEEFCC22_04E2F5EB5437D106_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC(=C3)F)Cl)(=O)=O,NTKPAOGXXOUEFH-OTCDBFHCSA-N
-83381D70662FF266_43BA173191FA61C7_7019_UN,OC(CC=CC1=C(C=C(OC)C=C1C)O)C2=CC=CC=C2,SEBIJEFWWIZWEZ-UHFFFAOYSA-N
-83B41BE4182CE504_820044DFC2DBCB83_6029_UN,N([C@H]1[C@@H](CCC1)C2=CC=C(C=C2)F)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,PVNNHTFTFPRRMC-XJKSGUPXSA-N
-83F7E39AC6E1F9E5_3AB165FCFDDBE22C_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,ODXMQNMAPFEZSJ-UHFFFAOYSA-N
-8418D38D8C346273_CA7D9BD087916DB1_6029_UN,C1CN(CCN1[S](C2=C[NH]N=C2C3=NC=C(F)C=C3)(=O)=O)C4=NC=CC=N4,ZGASIVXMGIYCDG-UHFFFAOYSA-N
-84652BAEF8590FC6_A7D6624A719CC3E7_6029_UN,C2COC1=C(C=CC=C1)CN2[S](C3=CN=C(OC(C)C)C=C3)(=O)=O,VBJDQCFVXVDEMF-UHFFFAOYSA-N
-8502E4A34113D13C_7DF1E57756CB5B0D_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(C2=C(C)C=CC=C2)C3CC3,YQDQDCNQDJNKAH-MRTLOADZSA-N
-85DCB76DDE0B59E2_5A65653DAA007CEE_6035_UN,COCC(OC1=C(OC)C=CC(=C1)Br)C2=CC=CC=C2,AMZKXNZMVJJGEP-UHFFFAOYSA-N
-863DFB248E2F9A08_09062B990100BFA0_6029_UN,OC1=C(C=CC=C1)N2CCN(CC2)[S](C4=CC=C(C3=NC=C[N]3C)C=C4)(=O)=O,GPYMGSGNSFWQCW-UHFFFAOYSA-N
-8756AF84269810F4_F520040ACE089989_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C)C=C(N=C3)C4CCC4)(=O)=O,KYKXYWACDGBMMR-UHFFFAOYSA-N
-880B57782195EE96_F6927CD162D81838_6038_UN,N(CCC1=C(C(=CC=C1)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,JBVPVYVSVNUWJX-UHFFFAOYSA-N
-8821E60FA8C9B7FC_7E07A0AEA50B26A4_6039_UN,CCOC(=O)C2(COCCC(NC1=C(OC)C=CC=C1)=O)CC2,CBBJJQIJSPEPTN-UHFFFAOYSA-N
-8A469FDEE47FBEEB_FCDB0885359C8A96_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(NC(C)=O)O3)=O,CPYFEGNKCIBAQE-UHFFFAOYSA-N
-8C4DC3A16324C592_FC78D5A1026947B7_6028_UN,C1C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4=CC=CC=C4)(=O)=O)OC5=CC6=C(C=C5)C=CC=N6,OQNQMPZWKSUYGZ-UHFFFAOYSA-N
-8C8E0122324C60EF_96ECA2F396434B07_7013_DP,CCC[N]2C1=CC=C(C=C1N=C2C(CCC(C)(C)C)N)F,WPSPLHXYMHTSTC-UHFFFAOYSA-N
-8CA3C0E7483DFA65_ED891917E87B11E6_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4C(C3=N[NH]C(=N3)C)C4)=O,VPLXTVQFBGGMBX-UHFFFAOYSA-N
-8CEE0CF38EB26340_5A2E7EA9C87AE43A_6028_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=C([C@@H](C)N(C)C)C=CC=C3)(=O)=O,NCDYJQIMNUSGMH-CQSZACIVSA-N
-8D54E2E5FDF42AAA_C8F200DC6B6C5A98_6029_UN,N(CC(O)C1=CC(=CC=C1)Cl)[S](C2=CC(=CC=C2)C=CI)(=O)=O,PPBKCLNEBDHPOE-UHFFFAOYSA-N
-8F10150B0F9ED30C_0AB02707D853EAA1_6029_UN,ClC1=C(C=CC=N1)C2=C[N](N=C2)[S](C3=C(C)C=C(N=C3)C4CC4)(=O)=O,ZSLCCJIZFWMHTE-UHFFFAOYSA-N
-8F8652C2382BCA7F_97F1710E42D8D7AC_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C4[NH]C=N[N]34)(=O)=O,FHZRXOZNRNTLFA-UHFFFAOYSA-N
-8FED600844A170C3_A61B7F3560AA342D_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C3=NN=C(C2=CC=CC(=C2)C)[N]3C4=CC=CC=C4)(=O)=O,NSNSRWIHJRPXJR-IRXDYDNUSA-N
-92A29CF5037BF60C_230E79B6921A03C9_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,DGILHCSQJJOYAI-UHFFFAOYSA-N
-9354CF69E8619EBC_482C69F9867E0EB6_6029_UN,CN(CC(C)(C)CCO)[S](C1=C(OC)C=CC=C1)(=O)=O,JBZLBNVZTMSBIO-UHFFFAOYSA-N
-938E239386C11A5C_3393143A651053CD_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CC(OC)=O)SC=C3)=O,VXLQYMHQQZLOLT-UHFFFAOYSA-N
-93D33912B9B8AE82_E94D5D3F1DA66158_6029_UN,ON(CC1=NC=CC=C1)[S](C4=CC=C(C2=C(C)N=C(N=C2)C3CC3)C=C4)(=O)=O,MXUHSUOFAPALNV-UHFFFAOYSA-N
-951C76FE13CF1F53_933EA0451FC0B3BE_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)[N]3C=CN=C3C)(=O)=O)C4=CC5=C(C=C4)OC=C5,RTDPVUVCISEWBN-UHFFFAOYSA-N
-95D86D68603E25BF_C8061C5679C58204_7022_DP,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC(C3=CC=CC(=C3)C(O)=O)=S,XORZVXDLNZTIJR-UHFFFAOYSA-N
-96FF3252E7A84E24_1D7E1509F63BA6E8_6029_UN,C1C(CN1[S](C2=CC(=C(OC)C=C2C)Cl)(=O)=O)C3=CC=CC=C3,CCSRQWINADFXCS-UHFFFAOYSA-N
-996B9E353094C969_BB6E9FA6BBA1796B_6038_DP,OC1=NC(=CC=C1)CNC(C3=N[N](C2=CC=C(C)C=C2)C=C3)=O,ACJBUKUZPYYLCN-UHFFFAOYSA-N
-9B3CF328EE0F5D3C_052150E92DCB8C83_6028_UN,CC1=C(C(=CC=C1)C)N2CCN(CC2)[S](C4=NN=C(C3=C(C=C(C)C=C3)C)O4)(=O)=O,ONMWYJZKUCOKES-UHFFFAOYSA-N
-9FD3A7CEB5E975A3_24E9997CC4CB2267_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C[S](C)(=O)=O)C=CC=C4,IGOQSOXLQHVDQM-UHFFFAOYSA-N
-A2AE0812C42D888A_8B5A2F397C8F7184_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC=C(C[S](C)(=O)=O)C=C3,YUKHROMIICEHGR-UHFFFAOYSA-N
-A2BDA463C8B9C787_D682A200B22A46DD_6038_UN,C[C@H](NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CN(C)C,YVTCNLNAPNBXSZ-JTQLQIEISA-N
-A2EA3ED53156F4B9_24E003F0BD15D925_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=CC(=C2)OC3=C(C(O)=O)C=CC=C3)(=O)=O,ASJNXGARPIWIBW-UHFFFAOYSA-N
-A300D98F2671CE0F_2E852C0C4817D6F7_6039_UN,O(C1=CC(=NC=C1)C2CC2)CC3=CC=C(C[S](C)(=O)=O)C=C3,SCOBGLLACCGPIE-UHFFFAOYSA-N
-A3C77BAFF12635FA_369A7827ADCA9AA9_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(C)C=C2)(=O)=O,XYBBNUBPOFYABC-UHFFFAOYSA-N
-A59B784D4861ECBF_27FD188DEA53A0D2_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C)C=CC4=C3N=N[NH]4)(=O)=O,DKLOUZVXZIFQJL-UHFFFAOYSA-N
-A59BCB50354C69C4_A258498DC384BF9C_7013_DP,CC[N]2C1=CC(=CC=C1N=C2C(CCC(C)(C)C)N)C,DTNSNRXXFYXUKX-UHFFFAOYSA-N
-A8F8F59F26757515_770EC68A1A8FDF1C_6038_UN,CC(C)C1=N[NH]C(=C1)COC(CCCC(N(C)C)=O)=O,JHBIJWKHXDKACT-UHFFFAOYSA-N
-AA7430F63BA7868E_40270A1D813E68F6_6041_DP,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC3=C(C(O)=O)N=CC=C3,IWFKELPZUFIWHG-UHFFFAOYSA-N
-ACBC71A080B7E131_B81C1C2A98B3BB93_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,HQOHFMQGKPSGBW-UHFFFAOYSA-N
-AD2C17930D2C499C_6982624A03F474A7_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,FMRCBQGLBWULIZ-UHFFFAOYSA-N
-AD2C418FC5435B35_DDA0D06C16DFB1F3_2875_UN,CC1=CC(=CC(=C1)F)[N]2N=NC(=C2)CCN3CCN([S](C)(=O)=O)CC3,PWQKFVSVXPQOKD-UHFFFAOYSA-N
-AD6A28375BEDBED3_FD684C425B586251_6038_UN,CC(NC(C(C)(C)[N]1C=NN=N1)=O)CC2=C(C=C(C=C2)N(C)C)C,RZLAPZLQHHCDMN-UHFFFAOYSA-N
-AE2230DCB7C7D857_B98134A7C9514084_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3)C(C)C)=O,UNOTUUOWERVTSA-UHFFFAOYSA-N
-AE9B0253DE511EB5_C3BDFC1F41F98E97_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=C(C=C4)[N]5C=NN=N5)(=O)=O,GCSWAWLQQUTWJL-UHFFFAOYSA-N
-AF9FCD7C0245D090_3CC718B42F394DB5_6026_UN,CC1=C[N](N=C1)C2=C(C=C(C=C2)[S](=O)(=O)N4CC=C(C3=CC(=CC(=C3)C)C)CC4)F,ISHRLTRPQPQPQZ-UHFFFAOYSA-N
-B187E31586B4ED94_5DC1150B6737776E_6003_UN,O(C1=CC=CC=CC1=O)C3=CC=C(C(NC2=CC=CC(=C2)C(O)=O)=O)C=C3,ZXITYDBIXWCIOB-UHFFFAOYSA-N
-B204C2503C2524C1_3051EB812575F3E4_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=CC=C2)Cl)[S](C3=C(F)C=CC(=C3F)Cl)(=O)=O,FEGPJIYYZLMDRB-MGCOHNPYSA-N
-B22173C43EC6B2FE_8FFB651E21F3A62C_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C3=C(F)C=CC(=C3F)Cl)(=O)=O,ZEWPMBXRZXMJNT-UMSPYCQHSA-N
-B695E09419596FFD_B9CB2F147F9499E7_6039_UN,CC2=C(OCC(NC1=C(C(O)=O)C=CC(=C1)F)=O)COC2=O,SGBVUFYXGOQGSJ-UHFFFAOYSA-N
-B72FD63A9E4587B4_BBA010930D0E81B2_2201_UN,CCC1(O)CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5,JYBSEKCZBWJCIQ-UHFFFAOYSA-N
-B7E8DFB607A20E5C_68AAA008B958BDDC_6038_UN,N(C1=C(C=CC(=C1)C2=NN=N[NH]2)F)C(C3CCN(C(N(CC)CC)=O)CC3)=O,WORASWZMKGJVDR-UHFFFAOYSA-N
-B83AFC2E4D2C373D_15720163FAE27C5E_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@H]2CN(C(C)=O)CC2)C=CC=C3,YPQHOHHANUXMGC-GFCCVEGCSA-N
-BAD4D1C80987079A_4EECA1DD16778C5E_6041_UN,CCN(CC)C(=O)C1=NN=C(C=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,GHNZYAJXVQZZKJ-HNNXBMFYSA-N
-BD14D00E06747A96_BB39CA7A55A3DFAE_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2=C(C=CN=C2)C3=CC=CC=C3)C4CC4,HPDUKSQIHYJBKF-UHFFFAOYSA-N
-BDE2CA86290648F1_993937F4653E2F68_6029_UN,C1C(CN1[S](C2=C(OC)C=CC(=C2)I)(=O)=O)OC3=CC=CC=C3,IKMINLJGPHMSON-UHFFFAOYSA-N
-BE1CF56E32767CE8_20ED6595F54E502A_6029_UN,N(CC(O)C1=CC=C(C=C1)Cl)[S](C2=CC=C(C=CCBr)C=C2)(=O)=O,QDQIUCCCWHUODT-UHFFFAOYSA-N
-BE449AB1FAD2F055_F605DF1939F0799E_6036_UN,CC(C1=C(C=CC=C1F)[N]2C=NC=N2)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,WZZTYKPESZDBSZ-UHFFFAOYSA-N
-BE681B7060B55413_E69A845E37628170_6029_UN,CC1CN(CCN1[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C4=NC(=CC=C4)C,UVVJQZRIZLMZOV-UHFFFAOYSA-N
-C0CDE01F0440A8DA_8C3819D86A3D4E74_6028_UN,C2COC1=C(N=CC=C1)CN2[S](C3=NC(=N[N]3C4=CC=CC=C4)C5CC5)(=O)=O,SRIPWDWJUVVCOU-UHFFFAOYSA-N
-C242FE6E199890E7_08F60E0C467DE51F_6041_UN,SC1=NN=N[N]1C2=CC(=CC=C2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,XIWCDFUDJXFULQ-UHFFFAOYSA-N
-C2FF01E3F54F79FB_9A13CD2A7392EC2D_6038_UN,N(C1=C(C=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(C4([S](C)(=O)=O)CC4)=O,OVOOVLDBNUNHQX-UHFFFAOYSA-N
-C324684258D80403_A9A54E84E673A973_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CCC2=CC=C(C(OC)=O)C=C2)=O,RRSIQAWMGZEAEM-LBPRGKRZSA-N
-C3433F1FCCFA4CAE_A0ED5CA019E215C2_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=CC(=C2)OC3=CC=C(C(O)=O)C=C3)(=O)=O,HPLZPFQKEZNYBL-UHFFFAOYSA-N
-C35166D371BADABC_70E8DEB1DFCA7510_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C3=CC=CC(=C3)C4([S](C)(=O)=O)CC4)=O,DKQJZOBZBQPBDY-UHFFFAOYSA-N
-C397917FBD4A0AFD_22961FBB89A7C424_6035_UN,CC1=C(C=C(C=C1)N3CCC(OC2=C(C[S](C)(=O)=O)C=CC=C2)CC3)C,XAUZIXJFVVAVPV-UHFFFAOYSA-N
-C41E704C0631AC9C_B0CAF94CA7518DE7_6029_UN,C1CC(CCN1[S](C2=CSC(=N2)C3=NC=CC=C3)(=O)=O)OC4=NC=CC=C4,ORMRSMWKDYQYHD-UHFFFAOYSA-N
-C44AF53FEC6B0BF9_2480770D9B99DE11_6035_UN,C[Si](C)(C)C#CC(OC2=CC=C(C1=NC=N[N]1C)C=C2)CC3=CC=CC=C3,SKGCEEGGWZDFPN-UHFFFAOYSA-N
-C80B5CB58AE07BA7_85426698C490044B_6038_UN,CC(OC(=O)C1CC=CC1)C2=CC(=CC=C2)[N]3C=NN=N3,ORRMIKOYXJJWGN-UHFFFAOYSA-N
-C94BB4830121DFAE_F98AC58E639FCF30_6038_UN,CC(C)C(CCNC(CC1=C(OC)C=CC=N1)=O)N(C)C,UPYWSRGXHVDYIH-UHFFFAOYSA-N
-C95A433D75D6E8C3_FABAD79A572DB285_6038_UN,NC(=O)C1=CC(=CC=C1)NC(C2(C)COC(=O)OC2)=O,QNEKSUJFGKUNJJ-UHFFFAOYSA-N
-C96888AC6E216E7A_578910AD3E7037A0_6029_UN,CN2CCN(N[S](C1=C(C(N(C)C)=O)C=CC=N1)(=O)=O)C2=O,WAGYADQHOVZCCK-UHFFFAOYSA-N
-C9CBB36CEDCEB049_86F3F59D9DE11875_6043_UN,CN(CC1=CC(=CC=C1)N([S](C)(=O)=O)CC2=CC=NC=C2)C3CC3,YBPLDMMKKWETHV-UHFFFAOYSA-N
-C9F097B055D380B2_F8B846EEB7E415B4_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,YSYWPTRUCUZMNF-MJHDQNEOSA-N
-CB8CB731D2B1002A_B40B7694E3D56912_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N([S](C3=C(F)C=CC=C3)(=O)=O)C4=CC=CC=C4,GZFDCZIWTORVAJ-UHFFFAOYSA-N
-CD1B1E0A542E0C77_B9CFF67052812F50_6038_UN,N(C1=CC(=CC=C1)C2=NN=N[N]2C3CC3)C(C4=CN=[S](C)(C=C4)=O)=O,QNMMGRKEXNUIFF-UHFFFAOYSA-N
-CEF4EB5D2C247A5F_8F22B0D745F14986_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)N([S](C)(=O)=O)C3=NC=CC=C3,RAWAFVGNVNUQDS-UHFFFAOYSA-N
-D48948095F943567_7DED1D964D1C6165_6038_UN,COC1=C(C=CC(=C1)N3CCC(OC(=O)C[N]2N=CN=N2)CC3)[N](=O)=O,KMRICTXKTFYYIH-UHFFFAOYSA-N
-D4B35B091DBE5892_2BE158EB5202BCD9_6039_UN,COC(=O)C2(CC(OCCCCC(NC1=C([N](=O)=O)C=CC=C1)=O)C2)C(=O)C,CBKXKHPXYNEYJH-UHFFFAOYSA-N
-D4D50AAF361D78BA_7BE242DA0DB2E839_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)N([S](C)(=O)=O)C3=NC=CC=C3,KCCMAKRERAZUNJ-UHFFFAOYSA-N
-D53EF23C0D5E7F93_25DECFBDC266B490_6038_UN,CN3C[C@H](OC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CC3=O,ZTEFXKNKAVQMNC-CQSZACIVSA-N
-D708FB1319CB6464_28521C594A4611B5_6035_UN,CC(OC2=CC=C(C1=N[N](C)C=N1)C=C2)COC(=O)C,YPTVWFLDLLJGKV-UHFFFAOYSA-N
-D7D0CF6D0E10C2B1_B6415A7DEB105BB0_6029_UN,C1CN(CCN1[S](C2=NC=C(CO)S2)(=O)=O)C(C3=CC=CC=C3)C4=CC=CC=C4,OCNVEMCSEQMSAD-UHFFFAOYSA-N
-D7D9E656708618F1_FAF7D65A6C2913A0_6043_UN,CCN1CCN(CC1)C2=CC(=CN=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,AVOJXFKTYXMUSY-UHFFFAOYSA-N
-D90C7EBF58F80E1C_8B25A52DD2DAE116_6035_UN,COCC(OC1=C(OC)C=CC=C1Br)C2=CC=CC=C2,RTDHFESMHMBUBH-UHFFFAOYSA-N
-D9AC9C0412709C30_95B0D405EA8972F7_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)(=O)=O,HRILZBNNYNABRF-UHFFFAOYSA-N
-DCF8D7ED0DFAB037_9722AC9D0DA9A901_6038_UN,N(CC1=CC=C(C=C1)C(=O)N)C(CN2C(C=C(C)C2=O)=O)=O,FPXNZQMGBZNZCW-UHFFFAOYSA-N
-DD8F70CD99595C30_E609B4AF91C668BD_6038_UN,CC1=C[N](C=N1)C2=CC(=CC=C2)OC(C3=N[N](C)C(=C3)C4CC4)=O,NGVQRTXJRKFUIK-UHFFFAOYSA-N
-E096B280D02D8A7A_EB950D0730AC7F8C_6028_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,VNQMNYAQWNEGGJ-IAQYHMDHSA-N
-E2006BAEDFF00CDF_BE83C21820F62D1E_2875_UN,CC1=CC(=CC(=C1)Br)[N]2N=NC(=C2)CCN3CCN([S](C)(=O)=O)CC3,XHYYWRVDHLEMSP-UHFFFAOYSA-N
-E21523499699D571_5F67C329F7EB922C_6038_DP,CC1=C(C=CC(=C1)F)NC(C2=N[NH]C(=C2)C3CCCN3)=O,JLILTKOYHBLKPC-UHFFFAOYSA-N
-E2C85464D53B880F_FDF1CAE5591BF035_6029_UN,COC1=CC=C(C=C1)C2CCCCCN2[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,XSDIZISQSDHUMZ-UHFFFAOYSA-N
-E3E83FD948ECD9D1_1B2F6F7C8C75AA4D_6041_UN,SC2=NN=C(C1=NC=CC=C1)[N]2C3=CC=C(C=C3)NC4(C)C(OCC4)=O,IMGDAYLYIFZDHF-UHFFFAOYSA-N
-E3E83FD948ECD9D1_5A3D2548E728C51B_6041_UN,SC2=NN=C(C1=NC=CC=C1)[N]2C3=CC=C(C=C3)NC4(C)C(OCC4)=O,IMGDAYLYIFZDHF-UHFFFAOYSA-N
-E477CC42E6180719_5235D6800AE668FE_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC(=CC=C4)[N]5C=NN=N5)(=O)=O,GAVIYFCDISTXDU-UHFFFAOYSA-N
-E536973B1D4685C3_6FFACA0A18DB416D_6038_UN,N(C1=C(C=C2C(=C1)[NH]N=N2)F)C(C3=CC=CC(=C3)C4([S](C)(=O)=O)CC4)=O,FUJTXNWEBNGIPO-UHFFFAOYSA-N
-E758DB592719F450_A1CD9C0D289D43F7_6038_UN,CCN(C)C1=CC(=CC=C1)NC(C2=C(C)N=C(N=C2)C3CC3)=O,LQTLBIQBNNYKQL-UHFFFAOYSA-N
-EA535B5BCA3A7FC1_A99B4BB73190E836_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3)Br)(=O)=O,SZUWXTLCHMOHNO-OTCDBFHCSA-N
-EC213F3D75837CAA_CA7F4A042D65075B_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC5=CN=C(N4CCN([S](C)(=O)=O)CC4)C=C5,XAMZYWNABLCNQW-UHFFFAOYSA-N
-EC6F6CEBDCBB8986_BB33C830F994906F_7017_UN,N3([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CCC(N)(CC3)C4=NC=C(C=C4)Br,KZKHEKPERRRTBG-UHFFFAOYSA-N
-ED0D4978FBA37A5A_58ACD2500B1A2413_6029_UN,CC1CN(CCN1[S](C2=C[NH]N=C2C3=NC=CN=C3)(=O)=O)C4=CC(=CC=C4)F,QSWOEWQQLSBEBD-UHFFFAOYSA-N
-EE843B875E3D75A2_F6B1A0227E18B208_6041_UN,COC1=C[N](=C(C(=C1)NC2=C[N](CCN(C)C)N=C2)C)=O,AYBNJLWJZJRMRU-UHFFFAOYSA-N
-EF081302BFDCF83E_7997C06FD7EA092A_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCCC2=N[N](C)C3=C2C=CC=C3)C4CC4,AXDKXJDIZINENP-UHFFFAOYSA-N
-EF43AF180A22C8A4_38B344303D510E52_6029_UN,C1CN(CCN1[S](C3=C[N](C2=C(F)C=CC=N2)N=C3)(=O)=O)C4=CC5=C(C=C4)OC=C5,HHQOEJTZVJDUSZ-UHFFFAOYSA-N
-F010C81C7AFB132E_BDFFFF5B00B09DD0_6029_UN,C1CC(CN1[S](C2=C[NH]N=C2C3=NC=CS3)(=O)=O)OC4=NC=CC=C4,UTTVWLJSPYWFDP-UHFFFAOYSA-N
-F0C5BB893B6A2F63_D00F55CA0519915D_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)Br)[S](C3=C(F)C=CC=C3Cl)(=O)=O,PWBSIXBGWHWNJW-AULYBMBSSA-N
-F18E0DB40B1EBA5A_E0C32BF2CC586E4E_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=C(CC(C)(C)C)C=C3)(=O)=O,RUOVAXCONAWABA-UHFFFAOYSA-N
-F3A54E0321B6CF8F_873FF885F1303EAD_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC=C(C2=CC=CC(=C2)C)C=C3)C4CC4,QUGNXEAXFIBDCQ-UHFFFAOYSA-N
-F61D597C9CA6D3EF_5339141F3EE21CFC_6036_UN,C1(CC(C1)C2=CC=C(C=C2)Cl)N([S](C)(=O)=O)C3=NC=CC=C3,VYWRPKATILBIDF-UHFFFAOYSA-N
-F6C8FED91172C3F2_48C2DC090FFCDB51_6034_UN,C(C1CCNCC1)C2=CN(C=N2)CC(C(C)(C)F)(C)F,CHNCPFGZBGRJMH-UHFFFAOYSA-N
-F9534307210472E3_C46304EC2B37E6C6_6038_UN,CN3C[C@@H](OC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CC3=O,ZTEFXKNKAVQMNC-AWEZNQCLSA-N
-F9C69B48C5943CCE_556C35609A9E9EF9_6029_UN,C1CN(CCN1[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)C5=C4C=CSC4=CC=N5,WADXGSKKCNNNDM-UHFFFAOYSA-N
-FBA6A1102EE7A0A1_9E4847C54D4D5229_6041_DP,N1CC(C1)C2=NC(=NC=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,QZCIPISVCZAESH-UHFFFAOYSA-N
-FC6610E46E3A837C_4FA5F7E38BB1AD4B_6029_UN,C1CC(CN1[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O)OC4=NC=CC=C4,KPUDTARGYLJYNO-UHFFFAOYSA-N
-FC9AD0DEB38B8178_FF32B6CF254D0EE3_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=C(C=C(C)C=C2)C3=NC(=N[NH]3)C4CC4,FGCKTFOPBOCIKW-UHFFFAOYSA-N
-FF05C6EC8BDCF5FB_F5593BCD5C0BFF33_7022_UN,COC1=CC(=C(C=C1)C)OC(COC)C2=CC=CC=C2,HHBBFHISMZYLSS-UHFFFAOYSA-N
-FF5D0EF0409EA918_7FF76F69430BB814_6038_UN,N(CC1=CC=C[NH]1)C(CCN2C(C(=C(C)C2=O)C)=O)=O,NRFUGRLVGZGEGN-UHFFFAOYSA-N
-rxn:2:100544:149117,CC(C)(C)c1c(C2CC2)nn(C2CCCC2)c1NC(c1ccn(S(=O)(=O)c2ccccc2)c1)C1CC1,GNISWXVIIJFLOT-UHFFFAOYSA-N
-rxn:2:101221:148822,CC1CCCC(Cn2ccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)n2)C1,GGVRFZHCLPIPKY-UHFFFAOYSA-N
-rxn:2:105437:122080,CC(CCS(=O)(=O)F)Nc1ccc(N2CCOCC2)c(OCC2CC2)c1,GIGOJPUQBHXRCI-UHFFFAOYSA-N
-rxn:2:117352:162580,CCC(NCC(c1ccc(C2CCCCC2)cc1)C1CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,WQWQMOMGHOTPHR-UHFFFAOYSA-N
-rxn:2:117725:162580,CCC(NCCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,NTHAYAQKODITFH-UHFFFAOYSA-N
-rxn:2:123867:117066,CC(Nc1c(C2CCC2)cnn1C(C)C1CCCCC1)c1ccc(OS(=O)(=O)[O-])cc1,OYXGXKXOALUKDP-UHFFFAOYSA-M
-rxn:2:159323:84782,CCCC(Nc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C1CCN(C2CCCC2)CC1,FQSPFPNWMWVUPO-UHFFFAOYSA-N
-rxn:2:67442:117066,CC(Nc1c(C2CCCCC2)cnn1C(C)C1CCC1)c1ccc(OS(=O)(=O)[O-])cc1,TUJJSRHJDRNQLI-UHFFFAOYSA-M
-rxn:2:67473:143203,Cc1ccc(C(C)Nc2cc(C3CCCCC3)n(C3CCCCC3)n2)cc1-c1cccc(S(C)(=O)=O)c1,ASMXAHFQVXEXRC-UHFFFAOYSA-N
-rxn:2:67473:145721,Cc1cc(C(C)Nc2cc(C3CCCCC3)n(C3CCCCC3)n2)ccc1-c1cccc(S(C)(=O)=O)c1,SNSQQCAEXHXUPG-UHFFFAOYSA-N
-rxn:2:69924:137213,CCOC1CN(c2ncccc2NC(CC)c2ccc(N3CCN(C)CC3)cc2)CC1OC,NBUUJCVRGVGBGX-UHFFFAOYSA-N
-009A8793F2D46718_E91EE37EF022C907_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3C4=CC=CN(C)C4=O,MKDGXEYNAYVHAD-UHFFFAOYSA-N
-009C550A3D8DC8ED_8EB1D1E346DA8DCB_6041_UN,O=[N](=O)C1=C(C=CN=C1)NC3=CC=C(N2CCN(CC)CC2)C=C3,FNNNQFRIMSECEH-UHFFFAOYSA-N
-010A900841E52527_27429F02C4A898A9_6029_UN,C1CC(CCN1[S](C3=C2C=CC=CC2=C(Cl)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,WKYHYWFMSCNXJH-UHFFFAOYSA-N
-0153D6E05D08943F_62F5093CEB46CD77_6038_UN,CN(C)C1=C(C=C(C=C1F)NC(=O)C2=CC=CN3C2=NCC3)F,YRMIUBJGQFPURC-UHFFFAOYSA-N
-0164E75CC89627AC_1D089DA0AA1A7B63_6029_UN,OC1(CN(C1)[S](C2=CN=C3CCCC[N]23)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,FEJSCODFDAUARD-UHFFFAOYSA-N
-0186C04AC90E1C27_CDE01379BA3CB55A_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,JRJKFQSLALFBLR-GDBMZVCRSA-N
-024FAD11B0774691_A9BA88000AC48F91_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NCC2(C(OC)=O)CC2)C(=O)O3,WLYJZXGNVWZYAX-UHFFFAOYSA-N
-02A2BE5A88871545_51F1DB309532AF9A_7019_UN,OCC(O)C=CC2=CC=C(OC1=CC=CC(=C1)OC)C=C2,OIPUNWCDPZFHIX-UHFFFAOYSA-N
-02E14CB9148E6AD2_F3562672232E1811_6005_UN,Cl[S](=O)(=O)C1=CC(=CC=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,YQFBDJOIPIWKJS-UHFFFAOYSA-N
-06092CABCAB1D3C4_2E41CEAE708F5099_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=C(C)C=CC(=C3)CN4CCCC4,WZYDHMJSLXGJGC-UHFFFAOYSA-N
-095CCF76A951163B_DABE284C9D2CB997_6038_UN,CC2=NC=C(CNC(CCC1=CN=C(N(C)C)C=C1)=O)[N]2C,ZGEZZWBBXAZBOV-UHFFFAOYSA-N
-097E16601EAE3475_72154AD5D3FF9203_6003_UN,CC2(CCOC1=C(C(=CC=C1)CC(OC)=O)[N](=O)=O)N=N2,UWNRUOSEFONJKD-UHFFFAOYSA-N
-0B29C0D6B28C440B_E00609F2AA1139BB_6041_UN,C2(=C[N]1C=CSC1=N2)NC(C)C4=NC3=C(C=CC=C3)[N]4C,UAZIZENUZQQQPG-UHFFFAOYSA-N
-0BB81DF9AEC1BD9E_C813AC401205A8FD_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CN=C(C=C3)C4(CCC4)C#N)(=O)=O)C5=CC=CC=C5,ARJFROOOGTXWMD-UHFFFAOYSA-N
-0C3BF20FE862E4A0_0CCF268C0E025258_6038_DP,N3CC(NC(C1=CC=CC2=C1C(C(=N2)C)(C)C)=O)CO3,MOACMRPOGYIAMC-UHFFFAOYSA-N
-0C48182F9E3BED01_7938FE855901201D_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C4=NN=C(C3=CN=CC=C3)[N]4C5=CC=CC=C5)(=O)=O,KWHXOMVPTMQDRP-UHFFFAOYSA-N
-0DFEDC6508DDC147_9A287DB446F29302_6034_UN,ClC1=CN(C2=C1C(=NC=N2)N3CCNCC3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,BBBDVOSEXOPAKW-UHFFFAOYSA-N
-14C53077B18A5A80_FBADF33528186844_6026_UN,[S](=O)(=O)(C3=C1C=CC=C2CCC(=C12)C=C3)N4CCN(CCC4)C5=NC=CC=N5,LHQRVGSMOPGHGT-UHFFFAOYSA-N
-159D22F6695158DC_5BA86BBC0378495E_7015_UN,CN1CCC2(CC1)C5=C(CN(C2)[S](C4=CC3=C(N=C(C)C=C3)C=C4)(=O)=O)C=CC=C5,GXCHADYHSQMJDD-UHFFFAOYSA-N
-161804096D2E59A4_5126054DDFEB8810_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C4=NN=C(C3=CC=NC=C3)[N]4C5=CC=CC=C5)(=O)=O,PURMFMKYJUYNGR-UHFFFAOYSA-N
-182A56CD2BB5940E_DDC3DB24EA0AFE75_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,YDQBPLADHIHNNI-UHFFFAOYSA-N
-196FEA7D37D385C9_1EC875A04CC8599A_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=CC=C(C=C3)C4=N[NH]N=N4,PKEBMLQYKGKBPV-UHFFFAOYSA-N
-19A84949C2A636D3_BC42F4E788FDE4B2_2201_UN,OC1=C(C4=C(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C=CC(=C4)[N](=O)=O)C5=CC=CC=C5,NUCRJBHLIPNMLG-UHFFFAOYSA-N
-19C0C66433D6BB36_669E93E11D9232B6_6039_UN,COC(=O)C1=CC(=C(C(=C1)OC)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,CEZXQCVLJBGYPC-UHFFFAOYSA-N
-1A1A56BA5F496623_CADAC50307E687BA_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([N](=O)=O)C=C2C#N)CC3)C=CC=C4,BGKLKSLRSYMQJM-UHFFFAOYSA-N
-1B621D970A47AE73_11CB92C38D0F0395_6029_UN,N#CC1=CC=C(C=C1)N2CCN(CC2)[S](C4=CC=C([N]3C=C(C)C=N3)C=C4)(=O)=O,WANGTWVPMKRWGJ-UHFFFAOYSA-N
-1F4DEFEC0FF5708B_07C7F2E17D3EF6CF_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN(C)C(C=C4)=O)=O,QCULGGRPNPJPQP-UHFFFAOYSA-N
-20D9E0AE79DDBBD1_F041848B9AE68067_7017_UN,N5([S](=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)CCN(C4=C(C=C(N)C=N4)Br)CC5,GGMOVEPSKPQGNB-UHFFFAOYSA-N
-20E565A4FE5EAE1B_90A37DD8FE4D128C_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3=C(O)C=CN=C3,RUKMXVIDVCKAMP-UHFFFAOYSA-N
-225222038D1D1B14_81153BA2F98FA619_6041_UN,C1(=C(N=CC=C1)C2(CC2)C#N)NC3=CC=CC(=C3)C(CC)=O,HGITZBJJAFBQAK-UHFFFAOYSA-N
-22A315194397480A_44D7A88863A239BB_6038_UN,COCC(OC(C(OC)C1=CC=CC=C1)=O)C(=O)OC,UMWQBKACVAJSNZ-UHFFFAOYSA-N
-2479C8069B769AA7_DDB50C947849134B_6029_UN,OCC1(CCN(CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,DJJLWHORRCPHQQ-UHFFFAOYSA-N
-25752D7DEC14BF05_066E1E8FEAE62A5D_6034_UN,C(N1CCNCC1)C2=C3C(=CC=C2)C=CN3CCC4=CC=C([S](C)(=O)=O)C=C4,XCGOSSKEMFHRHP-UHFFFAOYSA-N
-257C9623FD1F0CEF_E70E0D3E5A497B82_6003_UN,O(C2=CC(=O)N(C1=CC=CC=C1)C3=C2C=CC=C3)C5=CC=C(C(C4=C(C(O)=O)C=CC=C4)=O)C=C5,ZPUNRZPPARLXIZ-UHFFFAOYSA-N
-258A470B1CF8FD74_F3F0083805EF1CC3_6003_UN,O(C1=CC(=CC=C1)N2CCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,YOMLQFLCYRWHRO-UHFFFAOYSA-N
-292B43D0C9C0F7F2_2AAD6E5F46A997B6_6041_UN,OOC(=O)C1=CC(=CC=C1)NC3=CC=C(OC2=C(OC)C=CC=C2)C=C3,BJQUYGBUMPXHGG-UHFFFAOYSA-N
-2B9A10F728A4BABB_8F06DB52BD486C7C_6004_UN,C1(=C(N=CC=C1)CC2(CC2)C#N)C3=CC=CC(=C3)C(N)=O,IQWBPGVRBHYXAI-UHFFFAOYSA-N
-2BA8D6AFCE7B5914_830DB7B6827C8ECC_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC3(CCC3)C4=CN=CC=C4,CAHGKQNTHXWFOA-UHFFFAOYSA-N
-2CC75923523D16E8_7FE58400BD34CB01_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=C(CC(C)C)C=CC=C3,UHONOYNXWILQKQ-UHFFFAOYSA-N
-2CF95B0C4D847EB1_13747F8FACBBF16A_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3CN(C)CC3,LVIHGHZOKVYARW-UHFFFAOYSA-N
-2DD8A0F56D3CB028_7181241F64579302_6038_DP,N3C[C@H](NC(C1=CC=CC2=C1C(C(=N2)C)(C)C)=O)CO3,MOACMRPOGYIAMC-JTQLQIEISA-N
-2F0415153CB5E6FA_651BA3EF7ECE304E_6038_UN,CC1=C(N=CC=C1)C3(CNC(=O)C2=CC=C(C#N)[NH]2)CC3,OXNPRPPHVDLNPH-UHFFFAOYSA-N
-2FD8370B7BF0D3CA_A170EC6BC0EF92C2_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,VLCBZCAGAAKJFT-UHFFFAOYSA-N
-3003AEB200CF0B92_B5DBFAB04ABBCC67_2875_UN,N2=N[N](CC1=CC(=CC=C1)C#N)C=C2C(C3=CC=C(C)C=C3)O,ACXTYASGQDOORM-UHFFFAOYSA-N
-305A0CA26838D08C_9B232DC93D79A3D3_7019_UN,CC1(C)CC(=NO1)C=CC2=CC(=C([N](=O)=O)C=C2)OC3CC3,JYKNJMDARHMXND-UHFFFAOYSA-N
-311C7B16A498C894_A4F5CF3132470E74_6041_UN,C[N]1C=CC2=C1N=CN=C2N[C@H]3C4=C(O[C@H](C)C3)C=CC=C4,HHKFXHBOHXVVHG-BXUZGUMPSA-N
-31D51084D27BC7C0_FC11B004CF147316_6039_UN,CC(COCC1=C(C(OCC)=O)CNC(N1)=O)CN(C)C,CIIHGCNBVJTVMD-UHFFFAOYSA-N
-31E9C3AD0D35773C_30860743F9B51170_6028_UN,BrC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,SMNSANNGJLYFQU-UHFFFAOYSA-N
-3312B7C97E3A1DBB_2415B056AC8857FC_6038_UN,COCC(OC([C@H](OC)C1=CC=CC=C1)=O)C(=O)OC,UMWQBKACVAJSNZ-PIJUOVFKSA-N
-34AEF8DDD97094F5_21BD121D97442222_7019_UN,OC(CC=CC1=C(C=C(OC)C=C1)O)C2=CC=CC=C2,OXUAAAWFFAUURH-UHFFFAOYSA-N
-362354C37CED3B87_CEFF4B6D211E90D2_6038_UN,CN(C)C1=N[N](C=N1)C2=CC(=CC=C2)NC(=O)C3=CCSC3,DVHGKHRSVXLHNN-UHFFFAOYSA-N
-363DDED8CF9DBC98_ED1D9F94F9A9D80D_6038_UN,O(C1=CC=CC=CC1=O)C(C(CC2=CC(=C(OC)C=C2)F)C)=O,JOPZCBGCCVFXRN-UHFFFAOYSA-N
-37732B13CBEA33FF_238241A37F92F03D_2267_UN,OC1(CNCC1)C#CC2=C(C(C)=O)C=CC3=C2C=CC=C3,ZGKDMKAOHQDOJX-UHFFFAOYSA-N
-378611CDF61D83FD_0A4AA69E0CCD83AD_6038_UN,CC1=CC(=CC=C1)[C@@H]2C[C@H](C2)NC(C4=C(C3=CC=N[N]3C)[NH]N=N4)=O,BWEWZLIKAPTEAM-HDJSIYSDSA-N
-388ABADADEB36D02_22EEDA9380F7C53C_6029_UN,ClC1=CC3=C(C=C1)CCC2=C(C=CC=C2)N3[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,SDFVKEMERZIYDJ-UHFFFAOYSA-N
-3A46FFC9C770A589_785583D06C4FEE83_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NCC2CC(OC)C2)C(=O)O3,VSXVMPGJADAXAE-UHFFFAOYSA-N
-3CB9ACE52FBE84F3_60A506C87D77A479_6029_UN,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(N=CC=C3)C4=NC=CC=C4)(=O)=O,HSJDBURIHKOKBS-UHFFFAOYSA-N
-3E0056F9FCB28147_4A9FD482E3B79501_2875_UN,O[C@@H]1COCC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,NOXZNCGGUQFRQL-ZIAGYGMSSA-N
-3F1DBD8C896A13AE_EF1638E41C54CB26_6041_UN,CC(C)C1=NC(=NC(=C1)N[C@H]2C4=C(O[C@@H](C2)C3=CC=CC=C3)C=CC=C4)C,ZSAACHHJSQHNJD-IRLDBZIGSA-N
-3FBFF88910DA23C4_6EF7BE7F23429736_2875_UN,OC(=O)C1(CC1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,NRRSGWNBIDQFIG-UHFFFAOYSA-N
-4119D1F2418E4FD1_E6CEA993564EE3FA_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC(CC(C)C)(C)N,FZRDERWEOXEZQK-UHFFFAOYSA-N
-42F36F6D1C7277B5_5C8E2A0D88CBC844_6028_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=NC(=C([NH]2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,WFUGZORLIYRRTC-UHFFFAOYSA-N
-43F977E3B80EFC07_2BBCFDAF54ADB523_2875_DP,O[C@H]1C[C@@H](C1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,CXHILNCKFOZNNZ-SHTZXODSSA-N
-4556653999A01D5A_9CD0EA85AD5092E9_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=C(C=C3)OC4CCCCC4,XGHGIBLQBHCKIO-UHFFFAOYSA-N
-46637231E550E409_84888DB36479D08C_6029_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,MSMOZUXXICABGR-UHFFFAOYSA-N
-46637231E550E409_92C627346C7CBB0C_6028_UN,ClC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,MSMOZUXXICABGR-UHFFFAOYSA-N
-469E62FE5E91A7AC_4781FDAECD39A2ED_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC(C(OC)=O)C2CNC2)C(=O)O3,DMLLJZBWWIYIQZ-UHFFFAOYSA-N
-46A5C275890C8530_BCA792CD72A99A17_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,CSVRYZPYYAPFRW-UHFFFAOYSA-N
-4770530BB70B21D3_AE538746A318EE5F_6006_UN,CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC(=CC=C3)OC4CCCCC4,ZZNKSBNWMBJVAA-UHFFFAOYSA-N
-48E4D07EB3958836_1D68D15FF92FDC79_6029_UN,C1CN(CCN1[S](C3=C2C=C(SC2=CC=C3)I)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,KJDHMIFLQQIOHW-UHFFFAOYSA-N
-4A12A4DBC884656F_EDAA5F041C18D2FF_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)C=CC=C4,DCEBQUASLNCDDG-UKRRQHHQSA-N
-4B9DC45A7F4AEBCC_9A2CE6603123C316_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NC(CC(C)C)C#N,BFGUNCXFMKBCGK-UHFFFAOYSA-N
-4BF082988278791B_47794800E2502F35_6041_UN,CN1CC[N]2N=CC(=C12)NC(C)C3=NN=C(S3)C4=C(C=CC=C4)F,TUNSLVUHNDTFAX-UHFFFAOYSA-N
-4C89C3F8398E48F8_3D942878E73709A4_6035_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CN=C(C=C2)[S](=O)(=O)F)CC3)C=CC=C4,PWQJAOMKTYAHHQ-UHFFFAOYSA-N
-4DBDC73F9C24B3A9_9CA4305C84A5D0A7_6041_UN,CN4CCC1=C(N=C(S1)NC(C)C3=NC2=C(C=CC=C2)[N]3C)C4,JSLCJKMOZUREJM-UHFFFAOYSA-N
-4FC74B6731A9107D_D970D51A4F5F7736_6028_UN,C1C=C(CN1[S](C2=NN=C([N]2C3=CC=CC(=C3)C)C4=CC=CC=C4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,NBVBTKKZIYIQDH-UHFFFAOYSA-N
-4FD1D3662E83DB1B_247E13088349FAC3_2875_UN,OC(C[N]1N=NC(=C1)C(N(C)C)=O)CC2=CC(=CC=C2)F,JZNKIIFVBARIQF-UHFFFAOYSA-N
-507B54D7C607869C_04FC0D9157936DB6_6029_DP,OC1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=C(C=CC=C4)Cl,JWCUBFCEUWQRGE-UHFFFAOYSA-N
-5191AC673B667395_F6E2B704313D7672_6034_UN,C1NCCN(C1)C3=C2C(=NC=C2)N(C=N3)CC4=C([S](C)(=O)=O)C=CC=C4,NZYFXSTYZVZGEM-UHFFFAOYSA-N
-5236353B82FE3FB8_9AEDA408C4FD1FA7_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C4=C3CCC(Cl)C3=CC=C4)(=O)=O)C5=CN=CC=C5,SSHKFXSAISWMJH-UHFFFAOYSA-N
-54638E604FABD243_A60110C5B77407F6_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CC3,PPINOXJGSLGGRC-UHFFFAOYSA-N
-55FDB60F57ECBBD4_9C3AA11A1EFF109F_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CN=C(C=C3)OC4=CC=C(C=C4)C#N,WUIVYLZHWUQVIK-UHFFFAOYSA-N
-56FEBB4387B7D1D7_6CC24943919C4F68_6029_UN,CC1=C(C(=CC=C1)N2CCN(CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O)C,JRRONUGTVGZKKV-UHFFFAOYSA-N
-57B7D999CDB377A8_75FCCB5BE4F829CD_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C=CC(=C4)C)[S](=O)(=O)C,AKUCRINENWPIBV-UHFFFAOYSA-N
-59BD7E8C8EC34778_0248305AA62E6F33_6029_UN,N(CCCC#N)[S](C1=CC=C(CC(C)(C)O)C=C1)(=O)=O,VJCIDIVNODCYDN-UHFFFAOYSA-N
-5AADDDE230B3C7E9_D2D42C50580269C7_2875_UN,O[C@H](C[N]1N=NC(=C1)C(N(C)C)=O)CC2=CC=CC=C2,BDPRJHLBFKNJPR-LBPRGKRZSA-N
-5CE96C9AE640D052_AEF321E4EC8CCAC6_6003_UN,O(C2=C1C=CC(NC1=CC=C2)=O)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,GKYSXMGSUSQKFJ-UHFFFAOYSA-N
-5DBC5F8C0EEFC9C2_C6794F6CAE8A489B_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C4=C(OC3(C2)CCC3)C=CC=C4)C5CC5,UGXULUXJFRXWNO-UHFFFAOYSA-N
-5F02AC57DAEF6EB6_F8ACF454EB5D4E96_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(C(OC)=O)CC2)C(=O)O3,FLYMWWJCQKUAOA-UHFFFAOYSA-N
-5FBC6A2461313DDE_DD8E55F949EA7F3D_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F)C5=CC=CC=C5,SZTDBKCFIYQHMH-UHFFFAOYSA-N
-60AD7AE1A04B58F4_FC793E61EBCAD25C_6029_UN,OC1(CN(C1)[S](C2=CN=C3CCC[N]23)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZWWRXLUDLVGLDW-UHFFFAOYSA-N
-6120B1C9C04D6C36_BCA486E4B8DBD45C_6039_UN,CC(OCC1=NN=C(N(C)C)O1)C3=C2OCOC2=CC=C3,FMFTZAPBEXCDIZ-UHFFFAOYSA-N
-61F2ED78886751E2_5DB0625F58D6A219_6029_UN,N#CC2=CC1=C(C=CC=C1)[N]2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,XODAQSAXIIUKEM-UHFFFAOYSA-N
-621977661CDDB79A_C5673B0224131DE1_6006_UN,COC(=O)C1=C(C=C(C=C1)O)C2=C(C=CC(=C2)C)C3=CC=CC=C3,FIJRIZNORFTBBZ-UHFFFAOYSA-N
-638164364446F4AA_8E896117F81F4834_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NCC5=CC=C(N(C)C)C=C5,SKDDCPAGEWXDCC-UHFFFAOYSA-N
-644D7B870817310A_63AE0F2FB4DB70A2_6005_UN,Cl[S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,LIYNZIBQUFVDJU-UHFFFAOYSA-N
-64FE190DCA7FC59B_C757EAFC52F85395_6039_UN,COC(=O)C1=C(C=CC(=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,FBPLDAOXOYWTLA-UHFFFAOYSA-N
-65F35AAEC26F6734_5E03C5E65D6B12E4_6039_UN,CC(OCC1=CC(=C(N(C)C)C=C1)C)C2=NC=N[N]2C,UWGCEJQLFGSVJQ-UHFFFAOYSA-N
-670CB2BE32C4A719_19277A4FC9149BE0_6035_UN,CCC(OC1=C(OC)C=CC(=C1)Br)CC2=CC=CC=C2,CHDRBPVADVEVBI-UHFFFAOYSA-N
-671395C3DB00400C_1548B58D90D00E9B_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CN3CCC(O)CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,LVVKGKMOORDSLY-UHFFFAOYSA-N
-67E3EC077472CF13_1156946924774C4B_6029_UN,N(CC1(CC1)C2=NC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,COBYEYTVORHYAO-UHFFFAOYSA-N
-68E7BA45D1FB3A69_1ACCE3E9E6C8AA13_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC(C)C2=CC3=C(C=C2)OCCC3)C4CC4,HWBRXSQMMKTKRP-UHFFFAOYSA-N
-69D399069CF20844_F65B61D3A086472C_6003_UN,CC2(CCOC1=CC=C(C=C1C(OC)=O)[N](=O)=O)N=N2,LDHWUSTZZKBULT-UHFFFAOYSA-N
-6A1C82EC143ADC09_ABDAEA7B9C675295_7019_UN,CC(C)C1=CC=C(C=C1)NC(=O)C=CC2=C(CO)C=CC=C2,GEIFRQURADUMKV-UHFFFAOYSA-N
-6A90B266FEA14DC5_CF98B8548F5B1DA1_6029_UN,CC1(CCC(CC1)N[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,IKMXGSQPZQFDAR-UHFFFAOYSA-N
-6AE7378D27838EA7_6E93867728075C8F_6029_UN,OC1(CN(C1)[S](C2=NC(=NC(=C2)C3CC3)C)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,MSNMYKITFODACI-UHFFFAOYSA-N
-6B8663BFF5A75672_733C1C3193642DC4_6038_UN,CC(C)(COC([C@H]2C[C@H]([N]1C=C(C(OC)=O)N=N1)C2)=O)[N](=O)=O,QWYSPNSCFLPECH-KYZUINATSA-N
-6B87688D7A5C1074_AC9969B0D16DD9BA_6027_UN,N(C1=CC=C(C=C1)OC2=C(C=CC=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,OQICKYJVYRTNQL-UHFFFAOYSA-N
-6DB205955392F299_ACFCEA7096C300A2_6005_UN,F[S](=O)(=O)C1=CC(=CC=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,LKGQWOLSFNXGDA-UHFFFAOYSA-N
-6DBE8E2B0C88F199_49C16353C91134AA_6038_UN,CN(C)C1=N[N](C=N1)C2=CC(=CC=C2)NC(=O)C3=CC=CN4C3=NCC4,GDNAUSITSPGVTK-UHFFFAOYSA-N
-6DF58D1B0FC5118A_B2DAD189E55FDE92_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C)(C)C3=CC(=CC=C3)C#N,ZSSHFQKIRLTMSZ-UHFFFAOYSA-N
-6E4AF88C77098E23_9AB127A403C4AAB3_6041_DP,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)NC3=C(CO)C=CC=C3,ZTFRWIWGYVHCAI-UHFFFAOYSA-N
-6E8944813BF7BD46_66B55AEEEA3426A3_6029_UN,C1CC(CCN1[S](C3=CC=C(C2(F)CCOCC2)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)S5,KONMJWNFAGKNRL-UHFFFAOYSA-N
-6F45347EE789EC26_1A79CCE61D7A6A0A_6026_UN,[S](=O)(=O)(C2=C1OCCCC1=CC=C2)N4CC3=CC=CC(=C3CC4(C)C)C,PEXAMQXNMSAGGQ-UHFFFAOYSA-N
-7070EDFD879652DD_913E90D0C0407B03_6029_UN,CC1(CC(C1)N[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,UTDQPCUBRROLSH-UHFFFAOYSA-N
-710B582ABB5DC9B2_6C48988B272E973C_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4)COC)=O,SRZBZKPIUOSMSU-UHFFFAOYSA-N
-71C1D54C3B72FB8D_48437D14E6A8DBED_6029_UN,FC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,CNNSOCGRPZZHFY-UHFFFAOYSA-N
-7302B73ECF413D27_A75653E236033301_6038_UN,CC(OC(C1=C(OCCCC)C=C(C=C1)OCCC)=O)C2=NN=N[N]2C,DXHQHNUTEILQMH-UHFFFAOYSA-N
-73345E75D5862A38_328DCC311660A796_2875_DP,O[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C3=CC=CC(=C3)C(C)(C)O,LSIRBMJLEXTASS-JOCQHMNTSA-N
-73D3202A91B931B5_D9E913A15DDC53F1_6039_UN,COC(=O)C1=C(C(=CC=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,ZHZRCOLCBPEECG-UHFFFAOYSA-N
-7449DD9F6A64DE52_7229859481B4EED7_6028_UN,C1CC(CCN1[S](C2=NC(=C([NH]2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O)C5=CSC=C5,FAWMPIFFJRJQRS-UHFFFAOYSA-N
-76E8638C27994343_07C4216EA758D06B_6038_UN,O(C1=CC=CC=CC1=O)C(C3=CC(=C2OC(CC2=C3)C)OC)=O,XEWYEZAWPQWZGR-UHFFFAOYSA-N
-78A79565760CF5E3_D45947437282EFA9_6036_UN,CC1=CC=C(C=C1)C(C2=CC(=CN=C2)Br)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,PCCFKNPDKHLLDT-UHFFFAOYSA-N
-79D07444624E5643_FE86F8E5D7E69FD2_6029_UN,N(CC1(CC1)C2CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,XQNVMYJVMZRRID-UHFFFAOYSA-N
-7A03860D56505A28_D1CBE5893F37E088_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC3=CN=C(N2CCN(CC)CC2)C=C3,SKDWUXWRDSTZJI-UHFFFAOYSA-N
-7A8B135B21A6042C_2F1EC4721FC0C90D_6029_UN,OC1(CN(C1)[S](C2=C(C)N=C3CCC[N]23)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,WHODFHSCGLDVOS-UHFFFAOYSA-N
-7D8D6CC2E66DC282_31C25E7F6F2A9A1C_6041_UN,CN(C)C1=NC5=C(C(=N1)NC2=CC3=C(C=C2)SC4=NCCN34)C=CC=C5,FGYUNALXSWOBGO-UHFFFAOYSA-N
-7FC8FF74DE60976B_CE138D7D061A372E_6041_UN,C2(=N[N]1C(=NN=C1C=C2)C3=CC4=C(C=C3)OCO4)NC6=C5C=NC=CC5=C(N(C)C)C=C6,GTRQNELPQHUMCT-UHFFFAOYSA-N
-8024E236A3592641_798F01573B28BD33_6028_UN,FC1=CC(=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,GNHXVMMKQJNQAP-UHFFFAOYSA-N
-814C8A077051B87E_3954A598AAD29BB5_6003_UN,CC(OC1=CC=C(C(N(C)C)=N)C=C1)C2=NN=N[N]2C,QLCJWJODYQIDSV-UHFFFAOYSA-N
-824C638FA65BE557_751A24B955D87A8A_6029_UN,C1C=C(CN1[S](C2=CC=CC(=C2C3CC3)F)(=O)=O)C4=CN=CC=C4,FVRCXLXDXJRTMW-UHFFFAOYSA-N
-82A7AB9CACAEC175_93AD99F5940CF337_6005_UN,Cl[S](=O)(=O)C1=CC(=CC=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,SXMAKGZYEHNVMM-UHFFFAOYSA-N
-83533E445CB3CCCB_D450CAD371369E08_6029_DP,C1C=C(CN1[S](C2=CC(=NC=C2)N3CCNCC3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ITKBRJNPFXHVCA-UHFFFAOYSA-N
-83926CC8AE95B4C1_F4F97DAB634B1019_6029_UN,N#CC1=NC2=C(C=C1)N(CCC2)[S](C3=C(C=CC=C3)OC4=NC=CC=C4)(=O)=O,QKYHBGNDKHGQBP-UHFFFAOYSA-N
-849DD589460B16F5_C320639960809E63_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3CN(C)CC3,ODYILBVEOUVWTA-UHFFFAOYSA-N
-8570426974AE6CA9_55F6EEAD3393BA10_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCN(C)C)CC3)=O,PHYYYRASWSYPAH-UHFFFAOYSA-N
-86F23EAF8AC86653_EB3CAC87E1BF5CEC_6038_UN,COC(=O)C2=CN=C(CNC(CN1C(C=C(C)C1=O)=O)=O)S2,KEQHZFYSUQWERL-UHFFFAOYSA-N
-884D7D1FFEB16E2D_D60A7C39820CFF93_6041_UN,CN(C)C1=C(N=CC=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,PPCSXLBZTWYNTH-LBPRGKRZSA-N
-897B3BF79A9F5488_D70F362E1F6440C1_6028_UN,FC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,PKEFBLZJCGTCLF-UHFFFAOYSA-N
-8B2E5A1CCBDFEC7C_3F24683B72A3DF87_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC=C(C=C3)C4(CC4)C#N)(=O)=O)C5=CN=CC=C5,JGDAYKHPLDIONZ-UHFFFAOYSA-N
-8B6661088FA66724_AF33FA1722CDC06D_6034_UN,CC1NCC(=O)N(C1=O)CCC2=CC(=C(OC)C=C2)OC,YFJGARHUTBJMOF-UHFFFAOYSA-N
-8C80BB272F097D19_6814844436F67383_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N3CC4=C(C(C)(C3)C)C=CC=C4F,LQQLWQZYXSYQAL-UHFFFAOYSA-N
-8F04D5DEC129E22E_D909378D1FB1F61F_7017_UN,N4([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCN(C3=CC=C(C#N)C=C3)CC4,QHBCGCMIVVRYKJ-UHFFFAOYSA-N
-9000769070CCF35A_F2260F42A6D534F3_6041_UN,O=[N](=O)C1=C(C=CN=C1NCC(C2=CC=CC(=C2)C)(C)C)C#N,YNICJHDEFFXIEW-UHFFFAOYSA-N
-900CFCE36D1A7DB1_B70201CF712F83C8_6035_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C3=C(C=C(C)C=C3C)N,QYOISNHPHWHXOT-UHFFFAOYSA-N
-91B4678B92DE0344_6B8F1F55A44DCC58_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC4=CC=C(N3CCN(C)CC3)C=C4,XKQXSRSBBMCNSN-UHFFFAOYSA-N
-93E6F30D3AAC1AFA_14FD85106DA068A4_6029_UN,ClC1=CC3=C(C=C1)CCC2=C(C=CC=C2)N3[S](C4=CN=C(C=C4)N5CCSCC5)(=O)=O,NTMOIYMOYHPHHP-UHFFFAOYSA-N
-942FCA6D08C1ECAE_458DA79D8C33B9C8_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](N(C)C)(=O)=O)C=C4,YOWIOKDYMVRXFA-UHFFFAOYSA-N
-96535812C3C3DDAD_157D501DFFB2D808_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,FBCRTJNSHDJGIP-UHFFFAOYSA-N
-978BEA5B26012672_D8BB8D47825FF102_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,ZGBYYPJZMMJDGJ-UHFFFAOYSA-N
-9A4B1F33D79864D6_BBC09C2C1D6D8414_7019_UN,CC(C=CC1=N[N](C)C2=C1COCC2)C3=CC=CC=C3,YLFQJHMVBCEDIU-UHFFFAOYSA-N
-9B0224279DD212CB_92D59573CEB5D997_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3(CCCC3)C4=CC=NC=C4,QWVGWUISMHZIME-UHFFFAOYSA-N
-9B2CD4788AFC5A25_D522E68540BF44B8_6038_UN,CCOC(=O)C(NC(C[N]1N=C(C(OC)=O)C=C1)=O)CN(C)C,OKYYGRXRDWEGJL-UHFFFAOYSA-N
-9B5B54820120FC75_CE4E99774A2D73E8_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CN=C(O)C=C3)=O,FRPVPQBJEKGMBX-UHFFFAOYSA-N
-9CDDE82049E99EF1_06FB3F8F3EEC017F_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,VHXSFXYCSCSROK-UHFFFAOYSA-N
-9D15311F846D0735_5DCCA5DD74A2BBC7_6038_UN,N(C1=CC2=C(C=C1)N=CC=N2)C(C3=CC=CC(=C3)C[S](C)=O)=O,ZUFABTQZJXVIDV-UHFFFAOYSA-N
-9E2F0B8EC2BCFAF8_79BE8871B4FDE81C_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(OCC2)C(=CC=C3)C4=CC=CC=C4)C,WTJXDJTWVPNBHO-UHFFFAOYSA-N
-A01C6EC9DDE73293_435D6B95F88149EF_7015_UN,CC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,YHGANZYXCYCJBV-UHFFFAOYSA-N
-A27D885262F24A4C_9348D6E74028A5F8_6029_UN,C1C=C(CN1[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=CN=CC=C4,SQNWRLLOPGNZQI-UHFFFAOYSA-N
-A36310725946DFB9_54BDEE64C6E88E74_6005_UN,OC(C1=CC=CC=C1)C2=C(C=CC=C2)C3=C(OC)C=CC(=C3)CO,MOXYQCJPGQQGGX-UHFFFAOYSA-N
-A574A1DF3344EC5C_B38BF460781F19ED_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3=NC=CS3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,BSERZUPJNOHISY-UHFFFAOYSA-N
-A878685D8F59F279_1BE1EC5F46FFA52D_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C=CC=C3)C4CC4,VKQSJTHRPMBFSQ-ZDUSSCGKSA-N
-AAA5D5269FECDC75_28509B5024DAFCD9_6003_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,VLUBNKZTZPTVME-UHFFFAOYSA-N
-AC958235A364BA04_5D910A8F64ECCF36_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3C[C@@H](C2=C(OC)C=CC=C2)C3,JHQKZCHIRCSKOS-ZVZYQTTQSA-N
-ACC4EA8FB54F6884_579E066E60A38F0B_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,JXVRRIMVYZIBCC-UHFFFAOYSA-N
-AE5619E9E753ED80_3B293918F05C9652_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,DCWOQOUHDKWUCN-UHFFFAOYSA-N
-AE8485849C298361_E2220AB9790D80F9_6029_UN,C1C5=C(C4=C(CN1[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O)C=CC=C4)C=CC=C5,QURQJSPLIYVEJT-UHFFFAOYSA-N
-AF5974B764A0BCA0_67580A9429D996E4_2875_UN,FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C4=CC=C(N(C)C)C=C4,SBPQPNQCRXFXGY-UHFFFAOYSA-N
-B0B4A13FDEE1B032_7DEC9771C22D90D1_6028_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,HJXSVGMYTWLGEI-UHFFFAOYSA-N
-B0F61943AAD43ED1_11AB18802D69BE91_6038_UN,CCOC(=O)C2=C(NC(C1(C(N(C)C)=O)CC1)=O)C=N[N]2CC,GMEKUMHLNLNFAQ-UHFFFAOYSA-N
-B165C218F4846A6E_275A8D221342E424_6005_UN,Cl[S](=O)(=O)C1=C(C=CC=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,YORJHNZXEFROIN-UHFFFAOYSA-N
-B1A98BFC3761E4E6_47736D2447859272_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=NC=NC=C4,SOCLKVNPDZKQGS-UHFFFAOYSA-N
-B2CFD43D6F7DA7FD_6295D93DB5575143_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2CN(C(C)=O)CC2)C(=O)O3,DSZACWNWSWIRCZ-UHFFFAOYSA-N
-B32DDF34DB598843_6408CECF509DE952_6038_UN,CC(CNC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)C3=NN=N[NH]3,ZRSBSRHWFYMSFT-UHFFFAOYSA-N
-B369B1AC60C222D2_63FCD30C822A3E56_6029_UN,C2CC1=C(C=CC=C1)CCN2[S](C3=NC(=CC=C3)[N]4C=NC5=C4C=CC=C5)(=O)=O,DIDMIKJDXYJTAS-UHFFFAOYSA-N
-B6C69C25F189CD2A_A1B369E5E109685C_6038_UN,CC1=C(C3=C(C=C1)C(NC(C2=CN=C(N(C)C)O2)=O)CO3)C,JLJDAJMFVUNMAK-UHFFFAOYSA-N
-B88D2BEAC0455A2E_B6234C5CBDB60D56_6041_UN,CC1=C(C=CC(=C1)CC#N)NCC2=NN=C(N(C)C)[NH]2,MVVQTOUUKFXGPP-UHFFFAOYSA-N
-BA529D73BAA2BC8F_2B22DB6AC92D959E_6029_UN,N(OC1=CC(=CC=C1)C#N)[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O,QEZYPVJSEHYUQX-UHFFFAOYSA-N
-BA84FCDBB7D4185D_40161043EF4E8EE9_6038_UN,CC2=C(C=C1C=CC=CC1=N2)NC(C3=CC(=N[N]3C4CC4)C)=O,VBYRMWXCGIOPPC-UHFFFAOYSA-N
-BDA0541F00BEC238_8ABDFFF0F2EBAFA3_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)N3CC(C)(CCC3)C#N,RRYDYCNPBBHVAJ-UHFFFAOYSA-N
-BEA5DE5F9F4D0C8D_4E80882E1024EA55_2875_UN,OC(=O)C1(CC1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,OLLHJXHEDXONQY-UHFFFAOYSA-N
-BEF8B34315D30086_9C7F13A441AB10F7_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CCOCC3)C#N)(=O)=O)C5=NC4=C(C=CC=C4)S5,RSJWGPOJYDAGBX-UHFFFAOYSA-N
-BF4542A37B6B4BC1_276BAD67F8EE5762_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3N(C)CCC3,QOLFCFULWIFKSM-UHFFFAOYSA-N
-BFA12486B6E7E78B_18091E69DEE76AD5_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CCC(N(C)C)=O)=O,FCNKIVBIIOFNOU-UHFFFAOYSA-N
-C33B14C77CF83380_4F16074A669800B7_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,QFSPHXGFAUPWJX-UHFFFAOYSA-N
-C458ADFFEFEE79FF_4BE7E3223647964F_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC(C)(C)CCC#N,RBZGGHSPIRFCQK-UHFFFAOYSA-N
-C816CE3A13CECD94_BDD2898B5EF4BA36_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)NC4=C(CCCC4)C#N,BYZICSCLQPJMOF-UHFFFAOYSA-N
-C82B0DBAB5176B36_99E7EDC36F79138D_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC3=C(CN2CCN(CC)CC2)C=CC=C3,VOUDTPRQYULKKD-UHFFFAOYSA-N
-C9252CD662EF6D04_5BE48D92D25C7423_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C(C)COC3=C2C=CC=C3)C4CC4,VSGVAXBHJGLGHD-UHFFFAOYSA-N
-C9C94188F238F625_7ECF345CF526D81B_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2N=C(Cl)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,SBNZYVYLRRVPBX-UHFFFAOYSA-N
-CACBB76E5E8C7FEA_0355B0A803F99B84_6005_UN,Cl[S](=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,VIPQJSGFOMKTNL-UHFFFAOYSA-N
-CB6031AB641820C5_C1DA45546AF8B35D_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NC=C(C2=CC=C(C=C2)Cl)[N]3C4=CC=CC=C4)(=O)=O,SFDZGKBTYYHGDH-UHFFFAOYSA-N
-CCC9173FF44DA5D2_AFAD2E01DAFA8610_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=NC=NC=C4,RESGEXJLKMZSPD-UHFFFAOYSA-N
-CE3D74927186E703_E57460784B8AB550_6041_UN,CN(C)C1=NC=NC(=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F,ADMLKNFBROJUCI-GFCCVEGCSA-N
-D25A9A3D109A595F_574923B050786C03_6036_UN,C(C1=CC(=CN=C1)C2=CSC=C2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,GBDYAAPKYWNPPB-UHFFFAOYSA-N
-D2B92A14546AAFB0_815F6DE0673D6F42_6034_UN,O=C1N(C(CNC1)=O)CC2=CC(=C(OCC)C=C2)OC,HVRNGWDHWUZHLB-UHFFFAOYSA-N
-D2D381F589DA2CA3_C7328360A1940CCB_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCCC4,CLDIBYDKUWLNEL-UHFFFAOYSA-N
-D2D710F860FAB4C3_D3DC9097667B6460_6038_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C(C(CCN(C)C)=C)=O,WKUMZITZSIIOGE-UHFFFAOYSA-N
-D2FD8046FE52B6B0_E5BD1F5CFBC6535F_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC3=CN=C(N2CCN(C)CC2)C=C3)N4CCOC4=O,AGAHHNGKIAFOEC-UHFFFAOYSA-N
-D441DA857DA0F4C3_CF84885D1BFBE754_6041_UN,O=[N]1=CC(=NC=C1)NCC(N2CCC(C)CC2)C3=CC=CC=C3,QCVLEYFYBMYFSV-UHFFFAOYSA-N
-D46EA63576601395_0217CAEC1BD9C3B3_6027_UN,N(C1=CC(=CC=C1)OC2=CC=C(C=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,RUAZGAQNGBDKID-UHFFFAOYSA-N
-D46EA63576601395_0217CAEC1BD9C3B3_7015_UN,N(C1=CC(=CC=C1)OC2=CC=C(C=C2)C#N)[S](C(O)C3=CC=CC=C3)(=O)=O,RUAZGAQNGBDKID-UHFFFAOYSA-N
-D471086B4B67AD10_C3B44C5E1D7E7DE6_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)Cl,JANOIIZLNJOSTP-UHFFFAOYSA-N
-D6B815BBB4FCEA5B_649B517DC8E3A4B2_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2=CC(=O)CC2)C(=O)O3,WGGDOAWQWRMINN-UHFFFAOYSA-N
-D8502BC2A512AC4A_FFDFA6789413B922_6035_UN,CC(COC1=CC=C(C=CC(OC)=O)C=C1)N2CCNC2=O,OWENTSJHPXASLK-UHFFFAOYSA-N
-DA23B9E2B274D295_2A7D9F4C7B9F8C66_6041_UN,OC(=O)C1=C(C=C(S1)NC2=C(C=CC=C2)N3CCOC3=O)[N](=O)=O,FJABBWJAAMHZLI-UHFFFAOYSA-N
-DB3F58286A820141_663ACF120FABE7F3_6034_UN,C(N4CCC1=C(C3=C(N1CC2=CC=CC(=C2)[S](C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,UCENPFUANKIDNU-UHFFFAOYSA-N
-DB8AD6C79BA98D38_2FB5A24DB12125F1_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](Cl)(=O)=O)C=C2C#N)CC3)C=CC=C4,SQNDJMFALGEYFB-UHFFFAOYSA-N
-DBA27DFE72FD37EB_663A2E07ACA44AFB_6038_DP,CC1=CC3=C(C(=C1)NC(C2=C(CO)C=CC=C2)=O)C=CC=C3,VHKPROSTAUQWJP-UHFFFAOYSA-N
-DCA285540BAA4AD7_9DB7209C1CD94DE8_6035_UN,CC(OC1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=C(C#N)S3,BLJIOJOAJZAIIA-UHFFFAOYSA-N
-DD26E46EE0776B78_F5BA8DCC9C9ECEAC_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,ORAUZHIUBQDYNV-UHFFFAOYSA-N
-DD8D6D90271C4481_17B03D69492E64F9_6029_UN,OC1(CN(C1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,RXIQYSGCHZHBEO-UHFFFAOYSA-N
-DE5ACA609FA6795F_0DF84CBBAEC35A59_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=NN=C(N(C)C)C=C3)=O,AXKHPSXXBAKYRH-ZDUSSCGKSA-N
-E0152668C06CA733_15DA5DFCDF967A95_6028_UN,C2CC1=C(C=CC=C1)CCN2[S](C4=NN=C(C3=NC=CC=C3)[N]4C5=CC=CC=C5)(=O)=O,HVUKVGCLUWSGQK-UHFFFAOYSA-N
-E1007F24D20D8F59_D947D0FD06ACF49F_6029_UN,FC1=C(C=CC=C1)N(C2=CC=CC=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LHMFPFFRHNEREJ-UHFFFAOYSA-N
-E5D6A89B5D92E112_33665700E51C66A5_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(C=C2)C3=CC=CC=C3)Cl,BYKZPUODMRBNFX-UHFFFAOYSA-N
-E6A7689368F0E53D_7660ACE396CDA014_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC(CC(C)C)C#N,JLXMZZMKPYCPDS-UHFFFAOYSA-N
-E6A76FC1CEC2E657_4C7215D886AC5BAD_6038_UN,N(C1=C(C=CC=C1)[N]2C=NC(=N2)C#N)C(CC3C(ON=C3C)=O)=O,OPQXRDCNWFXDGS-UHFFFAOYSA-N
-E8378C5E78FF4A0A_B803D585EECA061D_6039_DP,COC(=O)C2(OCC(NC1=C(C(OC)=O)SC=C1)=O)CNC2,LYRVWVZHVYBSMR-UHFFFAOYSA-N
-E8AF50C7E0098065_163FD9D0EE172770_6041_UN,CN(C)C1=NC(=CC=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,PAEFPZGNCLHPRV-GFCCVEGCSA-N
-E8E7D4243CF17AB2_2B4987522246696F_6039_UN,COC(=O)C1=C(C=C(C=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,GBMYDZZKAFNLOD-UHFFFAOYSA-N
-EABBF51699B6CF81_7051B4AFE8F8F45E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)NC4=C(CCC4)C#N,NLNWPBMMQFMWQB-UHFFFAOYSA-N
-F032C50C30648EB3_52FF7513FAD71FF1_6038_UN,CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)C,FDQRXUNNNNPGSX-UHFFFAOYSA-N
-F081FF6D0A62DD27_CDFF3A75AF050F99_6003_UN,O(C2=C1C=C[NH]C1=CC=C2)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,GQBKXGAUJHLMRY-UHFFFAOYSA-N
-F40CD05C4035B800_75D650F90939BF08_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(N(C)C)=O)CC2=CC=CC=C2,BDPRJHLBFKNJPR-GFCCVEGCSA-N
-F43AAFAF77B9EBDF_D7FA2B1EEFDCCBE5_6029_UN,C2CC1=C(C=CC=C1)C(N2[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O)C5=CN=CC=C5,KDNIPTZVGXPDJP-UHFFFAOYSA-N
-F5D5F3398F6F43AE_BFBCBA9B37D3B9FB_6028_UN,C(N4CCC1=C(C3=C(N1[S](C2=NC(=CC(=C2)C)C)(=O)=O)C=CC=C3)C4)C5=CC=CC=C5,TVAXXSNJHJCYLA-UHFFFAOYSA-N
-F83E1BC5864582FF_6CC2A98A21AA521D_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4=C(N3CCN(CC)CC3)C=CC=C4,CVNNRBUYTRNYDT-UHFFFAOYSA-N
-FB0AB52DDBB6D1C1_BCB75F47F83E7E11_6003_UN,CC1=CC(=CC(=C1)OC3=CC=C(C(N2CCN(C)CC2)=O)C(=C3)C)N4CCCC4=O,XKJAADHJFYKBEN-UHFFFAOYSA-N
-FB57AB9B9150F506_A42FF44988B983DA_6029_UN,C1CC(CCN1[S](C2=CC=C(C=CC)C=C2)(=O)=O)C3=CC=NC=C3,XSRLLQOTEXMEPY-UHFFFAOYSA-N
-FC0BE233F52D0EA9_7510D488A97380EE_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2CC(C)(C)OC3=C2C=CC=C3)C4CC4,MNFPXBQDXQIPKL-UHFFFAOYSA-N
-FC4B38239BB3F493_6406FDFE0D30BDDA_6029_UN,C1CC(CCN1[S](C3=CC2=C(CCC2Br)C=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,FYNWKTGCTCGXSR-UHFFFAOYSA-N
-FE28BBC60CA94F5D_338505D73813997C_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,PVMFUQRXVHVWMY-UHFFFAOYSA-N
-FFEA82AA1F011693_EAAEABCC1DB77551_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3C2=CC=CC(=C2OCC3)C)C4CC4,IKHXAHWZVDUXMP-UHFFFAOYSA-N
-rxn:1:60315:10780,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2)cn1,KQIOWMCUSKRHQN-UHFFFAOYSA-N
-rxn:1:60315:33381,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2)cn1,OIUMGEKPQQBKFV-UHFFFAOYSA-N
-rxn:1:63040:33381,CCc1ccnc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,ROKPZEIUSPIEHJ-UHFFFAOYSA-N
-rxn:1:63400:25919,Cc1ncccc1N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,QLXRZEPALUXBAH-UHFFFAOYSA-N
-000FFA252FC4915A_706662F476A9778A_6027_UN,BrC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UWNXBTHQOBQQPK-UHFFFAOYSA-N
-00F78046054FED9B_75A3CBB5343B1D3B_2875_DP,O[C@H](C[N]1N=NC(=C1)C(CNC)=O)CC2=CC=CC=C2,YAFLHRRHJSQHNE-LBPRGKRZSA-N
-015C73E10E0BD125_FFF8ADA606412369_2875_DP,O[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C(C3=CC=C(OC)C=C3)=O,JZAGNQWOOLWELH-XYPYZODXSA-N
-02F1AF5E99218132_9FD82708797F5A5C_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3CSC4=C3C=CC=C4,ZZRPUHGDQHUVEA-UHFFFAOYSA-N
-02FDDF0CEB03D9D0_8FC8F2AB6B9AE1FA_6031_UN,O(C(=O)C[N]1N=NC(=N1)C2=CC=CS2)CC(COC)(C)N,XGIHZRNWZHPOHX-UHFFFAOYSA-N
-0464FFF3992FB97F_3CBDD166E3408AB5_6039_UN,CC2OC(=C(OCC(=O)NC(=O)C1=CC=C[NH]1)C2=O)C,ZTVARNNXORDMTC-UHFFFAOYSA-N
-04A5E0AFE5F9B1BD_AEFC4AB5C3ACAC7A_7005_UN,N2=C(C(C)CC1=C(ON=C1C)C)[NH]C3=CC(=CC=C23)C4=CC=CS4,UZBWXBZGSWRODU-UHFFFAOYSA-N
-055EC0C6B9E251AA_B0D03803917C27F4_6041_UN,CC(C)[N]1C(=NC2=C1C=CC(=C2)NC3C4=C(C3)C=CC=C4)C,ITTDDOKJTWKAHV-UHFFFAOYSA-N
-05761E434E7EBE65_26018E02E03FFAED_6035_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,DRGFAMGUCPOEBE-UHFFFAOYSA-N
-05DA766C6D2F7BAF_357860131D7FA9F8_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC(C)CC3=C(ON=C3C)C,JKDRVPHYDSXJRN-UHFFFAOYSA-N
-06A63466CBBEC53B_69004D7B2514CE8F_6038_DP,OC[C@H](NC(=O)C1=C(SC=C1)NC(=O)C2=CC=CO2)C(=O)O,DGABOTQOUKBFRK-QMMMGPOBSA-N
-07CBB9A485E1B554_47E87371867EBBFD_6038_UN,N(CC1=CSN=N1)C(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,LMBAUAXBMRQXPG-UHFFFAOYSA-N
-08DDF36C53FA6EC3_EFD5E67383B9E987_6034_UN,O=[N](=O)C2=C1C(N(C(C1=CC=C2)=O)CC3(CC)C(=O)NC(=O)NC3=O)=O,RKJRDDMBPFPCPY-UHFFFAOYSA-N
-09312F7D3343749F_F5D6F1ACAA722374_6004_UN,CC1=CC2=C(C(=C1)C)N=C(S2)C3=CC4=C(C=C3)OCO4,HNUWIZXYIQAJBP-UHFFFAOYSA-N
-0B7E2A03F9C1EA6F_773875FC5B2B928C_6029_UN,N(CC1=CCCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,CIIDHVMWOICQKD-UHFFFAOYSA-N
-0D45F234642F7FA5_A593526243021025_6041_UN,CC1=C(N=C(N=C1)NC2C(C)COC3=C2C=CC=C3)C,AMXFVHYTWGWAPH-UHFFFAOYSA-N
-0DC54061DDB729D3_8156BD9C3D7B68B1_6041_UN,C1(=NOC(=N1)C2=COC=C2)NC3=CC=C(C(C)C)C=C3,AGSRONZVMRTMAN-UHFFFAOYSA-N
-0ED7B1B6FC249BB4_0F52C721EA18A13D_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC(C)C3=CC4=C(C=C3)OCC4,FFNNGTSFBHEBTR-UHFFFAOYSA-N
-0FE08C7F7B2353C1_382E95D4073444E3_6039_UN,O(CC2=NC1=C(C=CC(=C1)C(F)(F)F)O2)CCCOC3=CC=C([S](Cl)(=O)=O)C=C3,AZSMBKBWYWMGLT-UHFFFAOYSA-N
-105D1E416AF0302D_1CDD0DBE8355879B_6003_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,SUIJHIKDAMDNRU-UHFFFAOYSA-N
-10624884402A806E_162B2ABD40FAC83F_2875_UN,CO[C@@H]1COC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,PSTIVBNODUBECB-HUUCEWRRSA-N
-1092E3B55C68EDE5_39264962DD5E9265_6028_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3Cl)C)(=O)=O,ACIFYJJSPQAIRR-UHFFFAOYSA-N
-115A1B79962343F6_FA36ED3D5229E5EF_6034_UN,CC1=CC2=C(C=C1)N(C3=C2C=NNC3=O)CC#C[Si](C)(C)C,YIGWABHHZWZCNB-UHFFFAOYSA-N
-125A2F7508F527B4_1F84754729032AC2_6038_UN,O(C1=C(C(=NC=C1)Br)F)C(C2ON=C(C(OC)=O)C2)=O,WKGGJWIKQFBQTN-UHFFFAOYSA-N
-12B63C4B65EE61F3_D438AA9968DD2A02_6034_UN,N[C@H]1CC[C@H](CC1)C3=NC2=C(C=CC=C2)N3CC[S](=O)(=O)F,DTZATBZQKCETCC-TXEJJXNPSA-N
-1466F05E2BDC768D_180065BB527DC983_6006_UN,CN1CCNC2=C1N=CN=C2C3=CSC4=C3C=CC=C4,FQRZPIFDKFRYOM-UHFFFAOYSA-N
-15EAF92CBFCB6799_99B23DA8CBFE67A1_2875_UN,C[C@H]1[C@H](CNC1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,ZAJIPJFARWCNDL-BMIGLBTASA-N
-1691A67F225D59C2_5C26FB6AEEA49611_6029_UN,OC1(CCN(CCC1)[S](C3=C(C2(O)CC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,AGCBDMWLLKHMOK-UHFFFAOYSA-N
-16F133A9A4E468ED_A2D86A62C61E2420_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC(=CC=C3)[S](=O)(=O)C4CCCC4,PLMVIUOTVKLWID-UHFFFAOYSA-N
-18C31972335ABA5F_3692DEC02889C1CE_2201_UN,CC2=CC1=NC4=C(C(=C1C(C2)C3=CC=CC=C3)C)C(=NS4)C,ILOFBPWBOJGZBU-UHFFFAOYSA-N
-190DEA053CB8D7F0_4E0D2424582250BA_6028_UN,C#CC1CCN(CC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,LPZPHIXYVNEAPY-UHFFFAOYSA-N
-1969E8C6D1C77A5F_7B8CD9B2536FF841_6029_UN,OC1(CN(C1)[S](C2=CN=C(C=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,MHFHPFULPUOLKI-UHFFFAOYSA-N
-1ACE0221112AF7B8_30EC91EC0F44DD04_6004_UN,CC1=NC4=C(C(=C1)C2=CC3=C(C=C2)OC(C)C3)C=CC=C4,POSMUVUNYAJALW-UHFFFAOYSA-N
-1AF7280DFDCD6B8E_D42F2AB75A65F5FC_2875_UN,CC1=CC=C(C=C1)[C@H](O)C[N]2N=NC(=C2)[C@H]3C[C@H]3CO,VAGQHRQKEGDREU-KCQAQPDRSA-N
-1E421DDA0D77FA49_A4E42063FED51E2B_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC(CCC)=O,XJJXRMSNPNQZJG-UHFFFAOYSA-N
-21896141EABCBFE2_C298EBD9171ED388_6041_UN,CC1=NC=C([N]1C)NC(C)C2=C(C3=C(O2)C=CC=C3)C,CLIPHOIZDTZAIM-UHFFFAOYSA-N
-22D606F09213D1D9_A3EEB07CD1D6A387_6038_UN,CCC(=NO)C1=CC=C(C=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZDTMPBGMMYIYOW-UHFFFAOYSA-N
-23A4CCB58669173E_2C74C5A111BFDD2E_6038_UN,CC1=CC(=C(C=C1)C)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VUDRGPNMYGHIHD-UHFFFAOYSA-N
-266566F9A099F870_3CC567C16DE2232C_6041_UN,C1(=CC=C(C=C1)N2NN=NC2=O)NCC3(C(OC)=O)COC3,GRYNJTJXFRZHIE-UHFFFAOYSA-N
-27B038E15748EAE7_5529FAE573E67824_2875_UN,N2=N[N](CC1CCCN1)C=C2C3=C(C(C)=O)C=CC=C3,WJRHFRWQMHPNEU-UHFFFAOYSA-N
-287321ABA15BEB72_935AC745D6E46BB2_6028_UN,N(CCC1=CCCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,CWYNWJDAXAUCDF-UHFFFAOYSA-N
-2B2277EA0E4E1E58_DB5CD1F71EC85F7D_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)C2=CC=C(CO)C=C2)N,MSNIEJNEENSSNW-AWEZNQCLSA-N
-2B931368F8B70D33_DB4047FCFAFEDB77_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(F)(F)F)C=C2)(=O)=O,IMBBFRUUBOLOMT-UHFFFAOYSA-N
-2C42CD66CCCF2DBD_52E6AE5AC67CE4D8_6034_UN,O=C(C1=CC=CS1)C2=NN=CN2CC3(COC)CC=CC3,QXRCYUOQGPWLCP-UHFFFAOYSA-N
-2F95A82CBF1C5880_47AD1F91D4EA8CD3_6034_UN,CC1=CC2=C(C=C1)N(C3=C2C=NNC3=O)CCCC#C[Si](C)(C)C,XQLFNGSGTMWBGV-UHFFFAOYSA-N
-2FB693799BC3EE06_6124CE6F459A0E0D_6034_UN,CC(N)C1=NN=C(C)N1CC2=CC=CC3=C2N=N[N]3C,YUWMUTWAXNCYGT-UHFFFAOYSA-N
-300AE619ABD4FB19_C2141A8AA93BED1C_6041_UN,CC1=N[NH]C2=C1C=C(C=C2)NC(C)C3C(C4=C(O3)C=CC=C4)C,MPUUNCQSICLHPM-UHFFFAOYSA-N
-302F16DC88B4FCF7_A6714ECD3E082D88_6029_UN,C#CC1CCN(CCC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,SNJOWQCUGDCEIW-UHFFFAOYSA-N
-316BC301E16CE9CE_2D9CB3B929751A02_6041_UN,CC1=C(N=NC(=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,OGLYDNLUFYBXLF-BXUZGUMPSA-N
-33F48EF3D1842165_E70411B09938227E_6034_UN,C1NCCN(C1)C3=C2C(=NC=C2)N(C=N3)CC4=C([S](C)(=O)=O)C=CC=C4OCC(F)(F)F,OKIXVOIXXLTSMN-UHFFFAOYSA-N
-340B549622818042_0F646709CBDCF158_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=CC=C2[S](C)(=O)=O)CC3)C=CC=C4,VWMYBYYXHDKOSA-UHFFFAOYSA-N
-345DD085E0A154FC_D6A65653425C4F92_6038_DP,OC(=O)[C@@H](NC(=O)C1OC(=O)C2=C1C=CC=C2)CC(=O)O,DWKDPKWXFFUIKZ-PEHGTWAWSA-N
-35BD68BF3CC0A5B5_EC212B4390428C13_6041_UN,CC1=C(C2=C(C=C1)C(=CC(=N2)NC3C4=C(OC3)C=CC=C4)C)C,AWVRNFPOUZJYFE-UHFFFAOYSA-N
-388F7342C9B71431_E6EE2AFE59FC3503_6003_UN,O(C1=CC=C(C=C1)N2CCCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,NXWPJUCGYVXLMH-UHFFFAOYSA-N
-397C54F9CA99AC0B_E37D656FAF33341A_6029_UN,OC1(CN(CC1)[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O)C4=CN=CC=C4,BNDKOZZXWMMZLO-UHFFFAOYSA-N
-3E6556E75B148AB0_2587893A57B48606_2875_UN,OCC[N]1N=NC(=C1)COC2=CC=C(C(CC)O)C=C2,CSQIXDBTCUPUQN-UHFFFAOYSA-N
-40396C5977E7F82E_5223C057EB1AEAA6_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,PKPXPFZZUSBYLV-UHFFFAOYSA-N
-412F2F400B26081A_2871E46CD66E393A_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3CN(C)C4(C3)CCC4,DOKRGZAFOHDISQ-UHFFFAOYSA-N
-457540C77B4927CD_371E0E6CD7DF90EF_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3=C(C)C=CC=C3)C4CC4,IXAVCRYNUOMPHR-UHFFFAOYSA-N
-46227E2FB965EC94_D680DFD136528EF8_2875_UN,COC1=C(C(=NC=C1C)C[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3)C,YIXZAWVSHJGNIU-UHFFFAOYSA-N
-4AEA392BB18590F5_3C22926926F86A28_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3CCN(C)C4(C3)CC4,ZVEDCJSJJZAZGO-UHFFFAOYSA-N
-4B0CAF95A05BD0AE_C8F46C25FC3136B3_6004_UN,CC2=N[N]1C=CC(=CC1=C2)C3=CC4=C(C=C3)OC(C)C4,LOKDEJMZQJRSLW-UHFFFAOYSA-N
-4BA3869086C936FF_3C73DFED892BDCCD_6041_UN,CC4OC1=C(C=C(C=C1)NC3=C(C2=NN=C(C)O2)C=CC=C3)C4C,QKRNFCWBDUKEKB-UHFFFAOYSA-N
-4D7E59B1B6E779FC_09D733B74D7ABE12_2201_UN,C12=NC4=C(C(=C1CNC2C3=CC=CC=C3)C)C(=N[N]4C)C,UQDDUBMDQGFDOL-UHFFFAOYSA-N
-4E835719ED711CD2_8888624177996CDA_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C=C2)F)CC)=O,YKCVUNJSVGDDMU-UHFFFAOYSA-N
-4F89104A0F7E0CEC_3BCB6BF0FC1342A2_6028_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)Cl)(=O)=O,VBMSIGMTCMYUNR-UHFFFAOYSA-N
-5060D1C09B2C0106_C84995A9189B2BCF_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3=CC=C(OC)C=C3)C4CCC4,FGNCUXVCUAAFFF-UHFFFAOYSA-N
-50B95EF2E79ACFEB_307C5291CD243FDD_2201_UN,CC1=NC4=C(C(=C1C2CCC=C2)C3=CC=C(C)C=C3)C=CC=C4,DMHDIHQGQJIPPW-UHFFFAOYSA-N
-51479169286AA2B1_BDAF5EBB720BBF29_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(F)F)C=C3)(=O)=O)C=CC=C4,UNBXGVXUTYMYBH-UHFFFAOYSA-N
-51CDFAD4E0D045AA_A63E778F0CC7B757_2875_UN,O[C@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)Cl,GDDYIFOFURSIOR-GFCCVEGCSA-N
-52C0ED6C0C81BF32_7AC5272AD22FD355_2875_UN,N2=N[N](CC1CCC(=O)O1)C=C2C3=C(C(C)=O)C=CC=C3,SLPSIGGPBSYNPG-UHFFFAOYSA-N
-545CFFD8DF66ACFF_DFC5B76B4B2DADEB_2201_DP,CC(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C)N,RDMHTAUJPRHUDW-UHFFFAOYSA-N
-56378AC95502CE9E_4D03B69E7936A083_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3,XSUPEQNSQKVTTB-UHFFFAOYSA-N
-5968F552A9EE7765_BA967D47B01CB339_6041_UN,CC1=C(C=CC(=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)C#C,RGIFDMICYUCLTN-UHFFFAOYSA-N
-5ADE4841EE070D44_B923C8A1DEAE418F_6029_UN,C1CN(CCN(C1)[S](C2=C(CO)C=CC(=C2)C(F)(F)F)(=O)=O)C3=NC=CC=C3,INBXDIBDBVRXJQ-UHFFFAOYSA-N
-5B6540EC49AFCF9B_B2167A3F549C02D1_6041_UN,C1(=CC2=C(C=C1)C3=C(O2)C=CC=C3)NC(C)C4=NN=C(C)S4,KHTPXVOPDBEPRR-UHFFFAOYSA-N
-5CF2EBDE8BC4789F_0E31C430E4528768_2875_UN,O[C@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)F,XVGBIVUVSTVREY-GFCCVEGCSA-N
-5E32A962EE87FAFD_44542AE9343B5FFD_2875_UN,O[C@@H]1CCC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(F)C=C3)=O,SOLRLULRENVGNJ-CHWSQXEVSA-N
-5F45A179C50DD365_D9D33ABF5001DB5F_6041_UN,C1(=C(C=CC=C1)[N]2C=NN=N2)NC3CCN(C)C4(C3)CC4,GHGXCYUYBRIRAO-UHFFFAOYSA-N
-6170EC8A83B06623_A8228B8A5E0B8D4E_6029_UN,C1CCC3=C(N(CC1)[S](C2=C(CO)C=C(C=C2)OC(F)F)(=O)=O)C=CC=C3,VDTCSUGLVRJLLH-UHFFFAOYSA-N
-6215C227CFB76053_19A44370E8D02310_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(OC)C=C3)=O,PRYUMRDYAUNYLW-CHWSQXEVSA-N
-63860F84E169C8BB_58E7B2F8753E5026_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C3=N[NH]C(=C3)C4=C[N](C)N=C4)=O,SXORFLAKNACWFV-UHFFFAOYSA-N
-64DB3ADB84A0F8D0_D4C2D7EC28BFBA09_6029_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,JOTXPLDZHOLWSG-UHFFFAOYSA-N
-6544A302FB4DB042_FC2D3A5A1DA3E2EF_6029_UN,OC1(CCN(CC1)[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,QJJTXWPUQSHLRH-UHFFFAOYSA-N
-65F98AD2DC04952B_8B5E62AE8BF6AB96_6038_DP,N(C1=CC=C(C=C1)C3=NC2=C(C=CC=C2)S3)C(C4=CC=CC(=C4)O)=O,FLDJJOFPFWCCDL-UHFFFAOYSA-N
-65FFDC588003A361_D2E0BDC8A6CE728C_6038_UN,N(C1=CC=C(C=C1)C3=NC2=C(C=CC=C2)S3)C(C(O)O)=O,BUHGDYVWDHKHCR-UHFFFAOYSA-N
-66490D72FDC8AA05_38FD6F44904F4525_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC3C(C)OC4=C3C=CC=C4)C,IFACJQWBWWADCW-UHFFFAOYSA-N
-665E312B9C681667_816A684EC70E91D7_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,XDCLQFXMTAXYAN-UHFFFAOYSA-N
-67B930B20D073B5B_119617E1239FD9CA_6029_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(F)(F)Br)(=O)=O,LVCXXUDRFZDJEY-UHFFFAOYSA-N
-67DC00E02595B7F1_765DD4985F59777D_6029_UN,CCC=C1CCN(C1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,NVSQUTYLBKZPHX-UHFFFAOYSA-N
-6862A5F49C1E9335_294A9B994D5858E4_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(CC[N]2C=NC3=C(N)N=CN=C23)=O,QUZWRJPSBFEQQF-UHFFFAOYSA-N
-6AF37D55A1AC27BC_84A3CF0C2862DDBF_2875_UN,O[C@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC(=CC=C2)Br,ZRYLSPIGQWWJKU-GFCCVEGCSA-N
-6BF2AD96770A0713_199141F71B50E761_6029_UN,N(C(CC1=CN=CC=C1)C2CCCC2)[S](C3=CC=C(SC)C=C3)(=O)=O,QCFALACGQCJSGS-UHFFFAOYSA-N
-6DA8DB95A75A4364_057356AAE8CAF95D_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CC(F)F)(=O)=O)C3=CSC=C3,OBZDRVCAFFAPJP-UHFFFAOYSA-N
-6EBB5D46F1A15AA1_33F05F6619415DEE_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3=N[NH]C(=C3)C4=C[N](C)N=C4)=O,TUYKRPIGJHUERZ-UHFFFAOYSA-N
-6F0A300F9A5B3C15_2E655F39D8CE3BCC_6029_UN,ClC1=CC2=C(C=C1)CCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,NVRCBMFMVBJFIK-UHFFFAOYSA-N
-6FCBFD579255BC60_8E0357548A328DEC_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=C(C=CC=C3)[S](=O)(=O)C4CCCC4,NFXKCQSHPFQYIS-UHFFFAOYSA-N
-7163664FF75C4E0E_EC175CD4994D9E3E_7022_UN,C2(=C1OC3=C(C1=CC=C2)C=CC=C3)NC(C)C4=NN=C(C)S4,XFYDFLMFKPAGRI-UHFFFAOYSA-N
-72091840E79695AD_900A26DA225C90D1_6038_UN,CC2=C(OC(CN(C)CC1=CC=CC=C1)=O)C(=O)OC2,ADALMXOGBTWDJM-UHFFFAOYSA-N
-7219CEFEA7538A97_9730912D026257DD_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C)C=C(C(=C3)Cl)I)(=O)=O)C=CC=C4,CBEZENWDUDUSGH-UHFFFAOYSA-N
-7239E569484EF62E_DB8138F799B74286_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,QNFGPXVBSOKLQR-UHFFFAOYSA-N
-72993A985A796A36_0AAA6B64BA11BF03_6038_UN,O(CC(CC1=CC=CC=C1)C#N)C(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,BITWKTAHRQUPQB-UHFFFAOYSA-N
-7318C810DFFC4AFB_89D670993F996E36_6004_UN,CC1=CC2=C(C(=C1)C)N=C(S2)C3=CC4=C(C=C3)OCC4,LCAHZIYNRRBMGB-UHFFFAOYSA-N
-73658D9CBB1515A3_DBBCE9A60D166638_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(O)C=C(C=N3)F)(=O)=O,VMNLVGGGBFAJOX-UHFFFAOYSA-N
-752FF11E2317A92C_DC2FCA9E8CB631A8_6029_UN,FC1=CCCN(C1)[S](C2=CC(=C(C=C2)F)CN(C)C)(=O)=O,ZMMJTYSUEVGUIC-UHFFFAOYSA-N
-7575B8719DBF531A_B3352A63CE832B51_6029_UN,FC1=C(C=CC=C1)C2CN(C2)[S](C3=CC(=CC=C3)N4CCCCC4)(=O)=O,ILCRQCNUNNLTOD-UHFFFAOYSA-N
-75D527E2A607BAEC_AF28682FAC283DF9_2875_DP,NC3CC(CC[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,IRYSQRSUUITULU-UHFFFAOYSA-N
-7604D9474F952524_A1806EA4187F1438_2201_UN,CC2=C(C)C1=C(C=CC=C1)N=C2C3=CC4=C(C=C3)OCC4,AYZCKPOKLHWPOM-UHFFFAOYSA-N
-760C44E7D11E96CA_7B8AF7789CB38838_6029_UN,FC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(O)C=C(C=N3)F)(=O)=O,BMRMWIMCQQMCHY-UHFFFAOYSA-N
-770E6F272FF2397F_0F4FD3B0DD6343B8_2875_UN,OC(=O)[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C(C3=CC=C(Cl)C=C3)=O,KELGAZHKRBXSLV-HOMQSWHASA-N
-78A58B2D511E1418_A0353B1C0184B5CC_6043_UN,C1(=CC(=CC=C1)C2CCCCC2)N[S](C3=CC(=C(OC)C=C3)C)(=O)=O,MNAFJHPPABURHD-UHFFFAOYSA-N
-79EC3471B968D08C_3CCB28FAE12CC91E_6027_UN,CC1=C(C=C(C=C1)Cl)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,KSLQTKHCEIHBEZ-UHFFFAOYSA-N
-7C1991A02B481BEE_DEC7BE5EF190FB4A_6029_UN,ClC1=C(C=CC=C1)N2CCN(CCC2)[S](C3=C(O)C=C(C=N3)Cl)(=O)=O,HWAIOKHBLYOOAG-UHFFFAOYSA-N
-7C1C80689EBAE462_511B964757796B47_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC23CCCN(CCC2)C3,JBRKHZJABFZTLU-HNNXBMFYSA-N
-7CADFC69137201D1_B5B8256A5DBBEF70_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O)C3=CSC=C3,UPZBLAZOQIDYBH-UHFFFAOYSA-N
-7CCD19C68E8EFF7D_11EBFD272D66D3DD_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=C(C(F)F)C=CC=C3)(=O)=O)C=CC=C4,LDWDEMKIXSRKPY-UHFFFAOYSA-N
-7CD6793AB6B4A8E2_4DFC74FFBE1065A0_6041_UN,CC1=NC(=CC(=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,BQIWUKFSGWUZIM-CZUORRHYSA-N
-81CF16BE60F6C510_19EA8D5F78615AB5_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,CMKGEVZCNPCLLT-UHFFFAOYSA-N
-826D569537F48C23_FD23D7FA06FBEA30_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,YTSZYBJAFFLLME-UHFFFAOYSA-N
-82BD73B38E08613C_4E604BB1DA3FB61B_6029_UN,OC1(CCN(CC1)[S](C2=C(C=CN=C2)C#N)(=O)=O)C3=CC=CC=C3,ZNTRTBIFZKHEBY-UHFFFAOYSA-N
-82CE4B54B38382B7_6254E7D2DB17B887_6043_UN,C1(=CC=C(C=C1)C2CCCC2)N[S](C3=CC=C(C)C=C3)(=O)=O,KJNFQBHZARKKSJ-UHFFFAOYSA-N
-88C9161881D09D00_A28A587528F8D941_2875_DP,C[C@@H]1CNC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,ZAJIPJFARWCNDL-MEBBXXQBSA-N
-898670F2BFCAADA9_B55DC52AF647A7C4_2875_UN,O[C@@H]1CCC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(Cl)C=C3)=O,RMJXXDVXRJSDJD-CHWSQXEVSA-N
-8B20BC0EA2563D2F_0C5C548D270B79AC_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(C=CC(=C3)C)I)(=O)=O,CHDGSKPZZBNJTC-UHFFFAOYSA-N
-8BD539EE582B1BC9_E8E7D69F1386DAC5_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC(=C([S](C)(=O)=O)C(=C4)F)F,YCJCCVNUQIWFES-UHFFFAOYSA-N
-8C87B396D5EA5CDE_836812B878C76504_6038_DP,CCC[C@H](NC(=O)C1=CC=C(S1)C2=CC=CO2)C(=O)O,PJLYTHXWNAGMSA-VIFPVBQESA-N
-8EDCEAB66A197A2E_CCA4C6BB07D561CC_6029_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,OCQFZDYFJDVLJG-UHFFFAOYSA-N
-8EDCEAB66A197A2E_D84535EF0F337B9D_6028_UN,C#CCC1CCN(CC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,OCQFZDYFJDVLJG-UHFFFAOYSA-N
-911C1D394F2002A3_4E9267A6ACAEFA20_6029_UN,C1CC2(CC1)C4=C(CN(C2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O)C=CC=C4,KGOOCPGFGVKBRP-UHFFFAOYSA-N
-916C384886957518_F6DECBD7C32242A9_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=N4,PJDALEOUIMEESM-UHFFFAOYSA-N
-9208F3832F38F934_3E5ECB275671E647_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(CCCC[N]2C=NC3=C(N)N=CN=C23)=O,QAYWOMRDOOLJAO-UHFFFAOYSA-N
-92AD75C8CAC36565_CDA6A058E1DB3739_2875_UN,CC1=C[N](C)N=C1C[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,JPKWGYOXAXTZFA-UHFFFAOYSA-N
-92FCFA45FB5A063D_5C198BB81545E6F0_6026_UN,CCC1=CC(=CC=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,TVDRJWOYYVCKLJ-UHFFFAOYSA-N
-92FFDF1EC7966374_53817211D13536A3_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)[N](N=N2)C3CCNC3)=O,WOWSTPZIZGFYRB-UHFFFAOYSA-N
-952A070C422AAA5F_CFD40AF00BA267FE_6038_UN,CCOC1=NC(=CC=C1)COC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HPTRPNUBRKYTRM-UHFFFAOYSA-N
-9546FE277F503C1B_240C577B486505CA_6041_UN,C[N]1N=NC2=C1C(=CC=C2)NC(C)C3=CC4=C(C=C3)OCO4,WATRBRZNFXGBRQ-UHFFFAOYSA-N
-9BB064B2DF194754_7AF3213F7732BD91_6041_UN,CC4OC1=C(C=C(C=C1)NC2=CC=CC(=C2)C3=NN=C(C)O3)C4C,MYTNVHCFCOLPKU-UHFFFAOYSA-N
-9C5233226F4FB719_5A43D55760EEDEBD_6029_UN,O=C(N1CCN(CC1)[S](C2=C(C(=C(CO)C=C2)F)F)(=O)=O)C3=NC=CC=C3,FPPSWAXLUROLRL-UHFFFAOYSA-N
-9D4390F72AE54FEE_2E3BD187B7829D35_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3=C([N](N=C3C)C)C,QWHNSUVZNPUDBH-UHFFFAOYSA-N
-9F4F0FCE73076E63_6CAAFDFE12152B96_2875_DP,CN[C@H]1CC[C@H](CC1)[N]2N=NC(=C2)C3=CC=C(N)C=C3,OXHIIOWMGPJLLC-OKILXGFUSA-N
-9FDCA03F0B5D8334_CF6F56B719E73692_6029_UN,OC1(CCN(CC1)[S](C3=CC=C(C(O)C2CC2)S3)(=O)=O)C4=CC=CC=C4,AKMJFQLKHNIOIU-UHFFFAOYSA-N
-A0692307D16C2975_38B4424B43AE3174_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=C(C(C)C)N=CC=C4,BSYJLGQWXXVWHY-UHFFFAOYSA-N
-A0B58DA1577656DB_5B223C0B1C8594DF_6041_UN,C2(=C[N]1CC(OC(C1=C2)=O)=O)NC(C[N]3C4=C(C=C3)C=CC=N4)C(=O)O,UFLGQJGVZKGLQU-UHFFFAOYSA-N
-A40A128C01EE3821_0FB38408CAB140B7_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)OC)C)=O,SEXRVXSPODQTCJ-NSHDSACASA-N
-A52663620C4CDA03_91405EAF1BC16BC7_2875_UN,N2=N[N](C1CCOCC1)C=C2C3=C(C(C)=O)C=CC=C3,SWZYCLSKALYGRK-UHFFFAOYSA-N
-A56C66B72F37AF02_76E2777338E6C6CF_6029_UN,C1C=C(CN1[S](C2=CSC=C2C(F)F)(=O)=O)C3=CN=CC=C3,IDAJCGJNKJGSLT-UHFFFAOYSA-N
-A57624E345BE61F3_174DF5A21315B37A_2875_UN,O[C@H](C[N]1N=NC(=C1)C(NCC)=O)CC2=CC=CC=C2,QZOKCIGJJUHPHF-LBPRGKRZSA-N
-A628CC910D130CB3_0F16829275F05893_6041_UN,CC1=NC(=C(N=C1)C)NC2C(C)COC3=C2C=CC=C3,LXKVWVUHRYZAEE-UHFFFAOYSA-N
-AF18BD6EFB83DA07_50DF0D670AE1AC31_6035_UN,O(C1CC2CCC(C1)[S]2(=O)=O)C3=CC=C(C=C3)C5=NC4=C(C=CC(=C4)Cl)S5,KCLJYOUHJCWTGO-UHFFFAOYSA-N
-B0E613BEE9444475_38412F8A27B05842_6029_UN,C(N1CCCC1)C2=CC3=C(C=C2)N(CCC3)[S](C4=CC(=C(CO)C=C4)I)(=O)=O,BUXMHDGDJIDTET-UHFFFAOYSA-N
-B1A555A54AA7932D_A88E1E866156BA77_6038_UN,N(C1=C(C=CC=C1)C2=N[NH]N=N2)C(C3ON=C(C(OC)=O)C3)=O,SOCNMFIROBMGES-UHFFFAOYSA-N
-B2D57C25BAF8BE3F_E40F2F8D029AD3DD_6003_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,KHHSNIPEYXDSJZ-UHFFFAOYSA-N
-B32E1BC08AA7C442_D161D05320F5795F_6029_UN,CCC1(CN(C1)[S](C3=C(C2(O)CCCCC2)C=CC=C3)(=O)=O)C4=CC=CC=C4,URWYBTOERSFKRJ-UHFFFAOYSA-N
-B4CB30950AFDFCFB_F76CA651758F6AF7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CC3)C4=NC=CC=C4,JNUHPVFAADGHBO-UHFFFAOYSA-N
-B67AA484C13F2CE6_E06B336883FC6F69_6029_UN,CC1=CC=C(C=C1)C2(C)CCN(C2)[S](C4=CC3=C(CCC3Br)C=C4)(=O)=O,PVMWYVKNDKCSTR-UHFFFAOYSA-N
-B6B2BBEE7CEDEDD7_22DA40328F7BA01B_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC3C4=C(OC3)C=CC=C4)C,GBVWBQZSSFYZPG-UHFFFAOYSA-N
-B6C78EE7C178357B_9C372117322C502A_6029_UN,C(N1CCCC1)C2=C3C(=CC=C2)N(CC3)[S](C4=CC(=C(CO)C=C4)I)(=O)=O,TWUSUDFDPIDNIV-UHFFFAOYSA-N
-B6F5CC0731988DFB_1D52FE6FCA9256C5_6038_UN,CN(C)CCC1=C(C=CC=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,AIJROIXDXSMHNC-UHFFFAOYSA-N
-B705DB99591467B6_E6D987DBEA9DB20F_6027_UN,FC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,OVUUHGCYKKHMJU-UHFFFAOYSA-N
-B705DB99591467B6_E6D987DBEA9DB20F_7015_UN,FC1=CC(=CC=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,OVUUHGCYKKHMJU-UHFFFAOYSA-N
-B851F3EEBCB8D28A_18667450AE417193_6035_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,QMVRXPWRKKZKQI-UHFFFAOYSA-N
-BAE9517C1A65FD80_1FD50F55DEEBA7BA_6029_UN,ClC1CCN(CC1)[S](C2=C(C=CC(=C2)C)OC3=C(C=CC=N3)C#N)(=O)=O,MOXISMXUTBVCHM-UHFFFAOYSA-N
-BD4A031342263BC8_40F3097B0B107161_6029_UN,FC1=C(C=CC=C1Cl)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,DRTCONICHFMHRQ-UHFFFAOYSA-N
-BDF6AD124361E78C_5CD5D53D89124F5A_7022_UN,C1(=CC2=C(C=C1)OCO2)NC3CCC4=C3C=C(C(C)C)C=C4,JCZNUQXJMFVALM-UHFFFAOYSA-N
-BE84F1192C07579A_3FDFF9186782CF59_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,QBBRTJZPRYPUOL-UHFFFAOYSA-N
-BE90CCE1D3664DA8_11B8FF743F849ECA_6028_UN,N(C1(CC1)C2C3=C(CCC2)C=CC=C3)[S](C4=C(C=C(C)C=C4)C)(=O)=O,PRPDQZAZQUFFKQ-UHFFFAOYSA-N
-BF36DDA929FC2A92_F238590BFB330980_2875_UN,N2=N[N](CC1CC=CC1)C=C2C3=C(C(C)=O)C=CC=C3,BURPQOVHDFVBSM-UHFFFAOYSA-N
-BF4C25A0A514706A_849470EB12DDD96C_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3([S](C)(=O)=O)CC3,CBAUBDAHDBMKNQ-UHFFFAOYSA-N
-BF80D0DCA409DA8B_68F9E2E8059A5EB9_6038_UN,CN(C)CCC1=C(C=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NOOBIQYXOUOQAL-UHFFFAOYSA-N
-BF927D3A2C737719_2949DF1CACBCFA33_6038_UN,O(C1=C(C(=CN=C1)Cl)Br)C(C2ON=C(C(OC)=O)C2)=O,LWSBAWFTEUNWDJ-UHFFFAOYSA-N
-C01B7F2C9940AB43_CA0FAF84A4CD261B_2267_UN,CC1=NOC(=C1C#CC2=CC=CC(=C2)C3=NC=N[N]3C)C,QRQHCXYSOSOIGQ-UHFFFAOYSA-N
-C0637F92892AF516_A5DA2C7DF5CE2263_6029_UN,N(C1(CCC1)CC2=CC(=CC=C2)F)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,XEQHNJGQQQNJBC-UHFFFAOYSA-N
-C310E28991D57A29_975600039AFEF973_2875_UN,OC3(C[N]1N=NC(=C1)C(C2=CC=C(C)C=C2)=O)CCC3,VYHSXEVBXMBSSH-UHFFFAOYSA-N
-C3CCB469C72903FD_551230A3126F119E_6041_UN,CC1=NN=C([N]1C)NC(C)C2=C(C3=C(O2)C=CC=C3)C,RWQNENRQZIEOLR-UHFFFAOYSA-N
-C74050BEC512AE91_DEADCCDF8E258688_7019_UN,CCOC(=O)C2=C(C=CC1=C[NH]C(=C1)C#N)NC(=O)NC2,HVMLGIDUJLWEKS-UHFFFAOYSA-N
-C7B4ADE368FFDA03_FAF83F89664DD4B6_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(CCC[N]2C=NC3=C(N)N=CN=C23)=O,AMOFSOUSSOCGJE-UHFFFAOYSA-N
-C8ECF826DAADC25A_45460C67BA36F139_2875_UN,N[C@@H]1CC[C@@H](CC1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,HKOIGJFFBQUVCJ-BETUJISGSA-N
-CAA2A242ECFBE481_74ECD4BFF37B76FC_7005_UN,CC(C)C1=CC=C4C(=C1)N=C(C3=CC=C(C2=NN=C(C)O2)C=C3)[NH]4,RVAQIQIIGGTRKA-UHFFFAOYSA-N
-CC87DD32472CACEE_EB4AB6EC9423494A_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC=CC(=C3)[C@H](C)O)(=O)=O,JQZTWNBBZNQUIM-JQRITLKVSA-N
-CD40CA2719AC670A_77B4F00B4851AB00_7019_UN,C(CC2=NC1=C(C=CC=C1)[NH]2)=CC3=C(C(C)C)C=N[N]3C,ZLBKSWITXUZJAT-UHFFFAOYSA-N
-CFCBE9C91B72BC76_80BA504CD0FC42B7_6029_UN,COC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O,QRCHWZYAZWVXSI-UHFFFAOYSA-N
-D14D27B055FEAFBF_953A1FF2D00ACF3E_6029_UN,CN1CCC2(CC1)C4=C(CN(C2)[S](C3=CSC=C3C(F)F)(=O)=O)C=CC=C4,VABJEBFJPXXUNQ-UHFFFAOYSA-N
-D1B606E58F76C8F6_EAFCA3E5C35F5EF2_6005_DP,OCC1=C(C=CC=C1)OC2=CC=C(C=C2)C3=CC=C(O)C=C3,BZWFUCSGWMAZDN-UHFFFAOYSA-N
-D1BA5AA3F8F08860_68B21103F1D518C4_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=NC=C(CC)C=C3)(=O)=O,LEOBSTIOUGPXQC-UHFFFAOYSA-N
-D24CEE22B0172CC1_586E1712492A3E1B_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)NCC2(CCC2)C3=CC=NC=C3)C#N,JRUCRVJQWYQITC-UHFFFAOYSA-N
-D2C29E849B21D7A2_ECA31FB3F90B4021_7022_UN,COC1=C(C=C(C(=C1)C)OC3=CC=C(C2=C[N](CC)N=N2)C=C3)C,QORBXBDUCGNVHN-UHFFFAOYSA-N
-D3F319DE72277163_9CE34787B8EA4A23_6041_UN,CC1=C(N=N[N]1C)NC2=C(C)ON=C2C3=CC=CC=C3,CUWZVXVIFPUURG-UHFFFAOYSA-N
-D468804192C6C8F9_191CAF6DD658104E_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,ITLOULJSXOVULT-UHFFFAOYSA-N
-D662A79D7D6F20F3_846BBA5E670AA981_6035_UN,CC1=C(C1COC2=CC=C(C=C2)C3=C[NH]N=N3)[Si](C)(C)C,MGGNSKLWGMFNGU-UHFFFAOYSA-N
-D8729348933157D5_AD1267156BE2DD81_6034_UN,N[C@H]1CC[C@H](CC1)C3=NC2=C(C=CC=C2)N3CC[S](=O)(=O)Cl,KWBLJRSIJKUVRV-TXEJJXNPSA-N
-D96542A60397C0CD_7627342D5FC8A38B_6029_UN,C1CCC4=C(N(CC1)[S](C3=CC2=C(N=C(C)C=C2Cl)C(=C3)C)(=O)=O)C=CC=C4,XPFJUFAIJAMJID-UHFFFAOYSA-N
-DCE3A20BE6703055_CF77064EDFEADE6E_6038_UN,CCOC1=C(C=C(C=C1)F)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,TWVGWLLENUXJIX-UHFFFAOYSA-N
-DD1639900A599C1D_86DCE28FE9786D65_6029_UN,OC1(CN(C1)[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=CN=CC=C4,SRHYERVKLITQSR-UHFFFAOYSA-N
-DD41F6978B9063AC_A726260F15DCF0F0_7005_UN,N3=C(C1=CN=C(C(C)C)S1)[NH]C4=CC2=C(C=CC=C2)C=C34,HDCUEUMGDFSROE-UHFFFAOYSA-N
-DE42F9E713F56BC3_E59C4E7B9ED52562_6041_UN,CC4OC1=C(C=C(C=C1)NC3=CC=C(C2=NN=C(C)O2)C=C3)C4C,NGDVGMAZYYWVGD-UHFFFAOYSA-N
-DE90818F9862291E_F194DAFE54AC069D_6038_UN,CC2=C(OC(C(N(C)C)C1=CN=CC=C1)=O)C(=O)OC2,KXSOQUKUBCYWPX-UHFFFAOYSA-N
-DEDD613FFF87B9F3_713E98D690CB8810_6029_UN,N(CCC1=CCCCCC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,DVDJTKBXPFTBPM-UHFFFAOYSA-N
-E073A444D07743E2_78D1D7BF7E59BD95_6038_UN,CN(C)CCOC1=CC(=CC=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,SOTJPGPFLJJMIU-UHFFFAOYSA-N
-E1132AF0DCEE9BDD_B523BE42D729EFBD_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC4=C([S](C)(=O)=O)C=CC=C4Cl,AOIJMOJUBIMTKR-UHFFFAOYSA-N
-E1490230AD8C37D8_05A8F49ED0170098_7015_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,BOTJWHYKIJFIQM-UHFFFAOYSA-N
-E14C435C08F6B31D_38D1A61351A297B7_6038_UN,N(C1C2=C(OCC1)C=CC(=C2)C3=CC=CC=C3)C(C4CCN([S](C)(=O)=O)CC4)=O,NCVPHIDRRWBUNR-UHFFFAOYSA-N
-E5B1DD5A6CCE08CD_4840BB762BDE9029_6029_UN,OC1(CN(C1)[S](C2=CC=CC3=C2CCN(C)C3)(=O)=O)C4=CC=CC=C4,ZWYPLMIAVYLNFQ-UHFFFAOYSA-N
-E63F7F7BAD4E266C_9103161D44182379_6029_UN,FC1CCN(CC1)[S](C2=C(C=CC(=C2)C)OC3=C(C=CC=N3)C#N)(=O)=O,HNVVJJMFOGDZTJ-UHFFFAOYSA-N
-E711DEE125A281E0_4CE191CBB4CFB956_6029_UN,N(CC1CCN(CC1)C2CC2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O,LGWCCUYWBSZMAI-UHFFFAOYSA-N
-E79BE2457B6C1B9D_0609A366718DD665_2201_UN,CC2=NC1=C(C=CC=C1)C(=C2C3=C(C=CC=C3)C)C4CCCC4,ZWFVGXBZAFUTEL-UHFFFAOYSA-N
-E7CF1B93CE0842F2_6CD7454F7B07B0E7_6041_UN,OC(=O)C1=C([N](N=N1)CC2=CC=CC=C2)N[C@@H]3CN(C)C(C3)=O,CIURWYRMLYFGRC-NSHDSACASA-N
-EB651D6E462E944F_E6FAF6D9DF7BD3EA_2875_UN,O[C@@H]1CCC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,WXRIVRUGRUKAHJ-ZIAGYGMSSA-N
-EBBC8F9F0E480645_D2A1B71C6500CBF4_2875_DP,O[C@@H](C[N]1N=NC(=C1)C(CNC)=O)CC2=CC=CC=C2,YAFLHRRHJSQHNE-GFCCVEGCSA-N
-EC3DE5A0D7601785_FD2B33EBDD296E96_2875_UN,O[C@H]1CCC[C@@H]1[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,WXRIVRUGRUKAHJ-KBPBESRZSA-N
-EC92F9BB23BAD496_8CFE8953B34C28AA_6029_UN,C1CC(CCN1[S](C2=C(F)C=CC(=C2)C3CO3)(=O)=O)C5=NC4=C(C=CC=C4)S5,GXCSUSGQCNERTK-UHFFFAOYSA-N
-EDB7C3C5E5AE2747_B096C719800C31F2_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)SC)(=O)=O,GTNDCGXITDTEEW-UHFFFAOYSA-N
-EEB037B7F69A2124_CBB331EF25D7BCA6_6029_UN,FC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,FHWOXLZYZITCHR-UHFFFAOYSA-N
-EFC273DF9E14C496_B7213652A9988410_2875_UN,OC3(C[N]1N=NC(=C1)CCC(C2=CC=C(C)C=C2)=O)CCC3,UQCXNPHEFJOJSD-UHFFFAOYSA-N
-F370445A6C2B06AF_B049B2F8A32D0D70_6029_UN,C(C1CCN(CC1)[S](C2=CC=C(C=C2)C3(CC3)C#N)(=O)=O)C4=CN=CC=C4,LPPQKSIRMDRLBR-UHFFFAOYSA-N
-F38B438050BF4A4D_68121F8D6236FF64_6029_UN,C1N(CC=C(C1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)C(C)Br)(=O)=O,QSJTUYGKEXQOIY-UHFFFAOYSA-N
-F39BB05D2707E9E6_73F8F82FB80915DA_6029_UN,BrC1CCN(CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,YGNUXJSVJGJCAM-UHFFFAOYSA-N
-F3E61825F1AFE738_117D02261484567F_7015_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O)C4=CC=CC=C4,DZTOBYYFBVGTKT-UHFFFAOYSA-N
-F3E61825F1AFE738_74BD27A604CAD1C3_6029_UN,C1CCN(C1)C2(CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O)C4=CC=CC=C4,DZTOBYYFBVGTKT-UHFFFAOYSA-N
-F506E04A628A6F55_44099CD68BC44F33_2875_UN,CC(=O)CC[N]1N=NC(=C1)CCC2=CC=C(CO)C=C2,QBHNYRZCFAIZPP-UHFFFAOYSA-N
-F69E7B3CFC2CB504_F2E882DF0DD970D3_6041_UN,C1(=NN=C[N]1C2=CC=CC=C2)NC3CCN(C)C4(C3)CC4,MZKQXRJFYABJIH-UHFFFAOYSA-N
-F6B531FD568F4542_84947E4CD89EA71B_7013_DP,[NH]2C1=CC4=C(C=C1N=C2C(C)CC3=CC=N[N]3C)OCO4,XOHPUAPTFXCFGN-UHFFFAOYSA-N
-F7B42692E3EEA5C9_F7DC1774DE8B3A35_6029_UN,FC1(CN(C1)[S](C3=CC(=C2CCCC2=C3)C)(=O)=O)C4=CC=CC=C4,RXYUYRSVHHULBJ-UHFFFAOYSA-N
-F9B958919830E681_E6613017727CEA63_6038_UN,CC(C)(COC(C=C([P](CC)(=O)O)C)=O)C1=N[NH]C=C1,UNISHSNYHGPRJF-UHFFFAOYSA-N
-FAD1FC144BBC76F0_0F9AC4DA2A2782DC_6038_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,SQGQUFWQUYVZHX-UHFFFAOYSA-N
-FB011FD1F11AC5E9_B296E00333D90254_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C4=C(OC3=C2C=CC=C3)C=CC=C4)C,JCYCGIHUYQWACY-UHFFFAOYSA-N
-FB9EFD93022A9F4D_1F562CB6737407B1_6041_UN,CC(C)C1=NC(=NC(=C1)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4)C,WITYFIRDBAOWFW-UHFFFAOYSA-N
-FD53134F1C22113C_EBA13B6AA73C2847_6038_UN,CCOC1=C(C=C(C=C1)F)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,ILVXLDWZPHJPJP-UHFFFAOYSA-N
-FDFEB4D24B20B52F_39DE273886035E69_7005_UN,CC(C)C1=CC=C2C(=C1)[NH]C(=N2)C5=C(C)C4=CC=C3C=CC=CC3=C4O5,VUNHWBQWLPJGRC-UHFFFAOYSA-N
-FE02CFE82D6216E6_4D98BA662DE2295F_7015_UN,ClC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,YUIKHIKLBHTUBT-UHFFFAOYSA-N
-FF0C815335CB359F_ACC6BFA185780AC9_2875_UN,COC1=CC(=CC=C1)C2(CCC2)[N]3N=NC(=C3)C(C)=O,YCESKEYVZAPKHS-UHFFFAOYSA-N
-rxn:1:51355:38954,NCC(=O)N1CCC(c2cn(CC3C(c4ccc(F)c(C=CC(=O)O)c4)C3(F)F)nn2)CC1,LPPNCJYMZSYYKW-UHFFFAOYSA-N
-rxn:1:51540:8130,CC(=O)NCC1C(c2cccc(-n3cc(C(=O)N4CCC(c5cc(O)nc(C)n5)CC4)nn3)c2)C1(F)F,ILSVXZKGNGEKML-UHFFFAOYSA-N
-0057803BF635424C_3AB8CD0EDB34823F_6034_UN,CN4CCC1=C(C3=C(N1CC2=NN=C(C(C)C)[NH]2)C=CC(=C3)Cl)C4,HEBXOHVFCLFHIU-UHFFFAOYSA-N
-00EA4AFA32B63762_A375DFC3256DEA88_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,SBDWPGSHJDSTHT-UHFFFAOYSA-N
-01139561666688E4_6D96675A44B1587E_6029_UN,COC1=CC(=CC(=C1)N[S](C2=CC(=CC=C2)C3=CC=CC=C3)(=O)=O)O,PFUJBDRNGLMMJK-UHFFFAOYSA-N
-016CD39FA6435F82_4D3F7D385DC3FBE2_6034_UN,C(NC2=C1N=CN(C1=NC=N2)CC3=NC(=NC=C3)C4CC[S](=O)(=O)C4)C5=CC=CC=C5,BUAGQCFYKVIRFY-UHFFFAOYSA-N
-0237ADBFD5A6D073_CA152CDA670D9B58_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3CN(C)CCC3,MEAHTWDRPNANPD-UHFFFAOYSA-N
-025F838ED5F59F49_D5F2D4DA27A6418A_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C3(C(N(C)C)=O)CC3)=O,GTWZRRURWUPHRD-UHFFFAOYSA-N
-040769E76B516005_18072BC50402A748_6038_DP,N(C1=CC=C(C=C1)OC2=CC=NC=C2)C(C3=CC=CC(=C3)C(O)=O)=O,BBZXJXNUZAHOFG-UHFFFAOYSA-N
-05C78285D7A7CE0D_A9C4C3F38D5264A7_6041_UN,C[N]1C(=NC(=C1C#N)NC(CC(C)C)C2=CC=CC=C2)F,HORCIGVYAJRFLY-UHFFFAOYSA-N
-06599AC6EE38AD21_EADDDBF0DF485356_6029_UN,C1CN(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=CC4=C(C=C3)OC=C4,AXICRZHTIVPSIA-UHFFFAOYSA-N
-0666667945613080_9D65BC4F6432F8E7_6029_UN,COC1=C(C=CC=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,FEVUYPHMGSXWPC-UHFFFAOYSA-N
-0A73665A54B69BE2_8A499CF612E24387_6041_UN,OC(=O)CC1=C(SC=C1)NC2=CC=C(C=C2)N3CCOC3=O,GCJUCKFWDAHGCB-UHFFFAOYSA-N
-0B0C176751E36920_E7CACD2C97DC99B8_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)[S](=O)C,NLGLAERUOCBJOM-UHFFFAOYSA-N
-0BFDA09BD8A5A3D1_A694EADFC05BD966_6029_UN,FC1(CN(C1)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O)C4=CN=CC=C4,DLPABQUSTKAKFX-UHFFFAOYSA-N
-0DE4792F19BF413A_3F9B895DF2251823_6029_UN,COC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,SOFZXUZVIBWPFT-UHFFFAOYSA-N
-0E2028DBB661FA7E_F855187B8708EDD7_2875_UN,COC(=O)C1(CC1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,IZKCXMUZCZHEJM-UHFFFAOYSA-N
-0FCEDE7B2FA05945_EDEB3BF667DFA115_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4=C(C(OO)=O)C=CC=C4)=O,KVYWEPLUBIQIEY-UHFFFAOYSA-N
-115AD725370432F7_56C747E784AD39D6_6029_UN,C1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C5=C4C=CSC4=NC=N5,LUASADJCXXTKSF-UHFFFAOYSA-N
-1186B876DAB44BF8_FE513D8A7E5E45B4_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC(C)C[S](=O)(=O)C3=CC=C(C=C3)C,ZTGPQJMNSYVCTA-UHFFFAOYSA-N
-12AA8F7E0718D8C5_B01AD852C2B5184E_6029_UN,FC1(CCN(CC1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O)C3=CC=CC=C3,ZOWJKOXLOIXVPK-UHFFFAOYSA-N
-1324AAA4F19090F7_2897EA4227FB59EC_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)O)[S](C3=CC=C(SC)C=C3)(=O)=O,STMXITCERASAAH-UHFFFAOYSA-N
-13ED7E65522A6175_7CEFF37B007559A7_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=CC(=CO3)C(OC)=O,BGVXDHIMNFMPQT-UHFFFAOYSA-N
-14DEC972A360FA60_D2FDE29056054D92_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C3=C(C=C(C(C)O)C=C3)F)(=O)=O,YLDHRYVSOLLZIY-UHFFFAOYSA-N
-1503B7D4F5BB17A0_7A695E79899C6698_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,VMSILVLREAMSFW-UHFFFAOYSA-N
-156D383B9546B92B_794560E02EF69078_6026_UN,ClC1=C(C=C(C=N1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,ZRUZVJQNLRIZSP-UHFFFAOYSA-N
-16D0F2EDC90CEB73_B00A4FC66AC832FD_6041_UN,O=[N](=O)C2=C(C=C1[NH]N=CC1=C2)NCCC[Si](C)(C)C,LOYWQLZKBYUETC-UHFFFAOYSA-N
-17A9C44F128A62F1_E4AF9BC271EC0F38_6041_UN,C2(=C[N]1N=CN=C1C(=C2)C#N)NC(C)CC3=CC=C(C=C3)N(C)C,KXOSFMFXWNFITR-UHFFFAOYSA-N
-17CF4FCE52F4BF77_05A1F5EC2AD0D9C7_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)Cl,GDDYIFOFURSIOR-LBPRGKRZSA-N
-195DD031164058D2_E24919101F13F3FC_6041_UN,C2(=C[N]1N=CN=C1C(=C2)C#N)NC(C)CC3=C(C=C(C=C3)N(C)C)C,XLAIMOCFBXZKLT-UHFFFAOYSA-N
-1A9A1F1994FC6E17_AA41DC331A574B04_6003_UN,O(C1=CC=[N](C=C1)=O)C3=CC=C(C(NC2=CC=C(C(O)=O)C=C2)=O)C=C3,YORAUTDQRHHUIL-UHFFFAOYSA-N
-1AE6007990E590A7_7866BDF7C3A70EFF_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC=CC(=C3)C#N)C4,NKWFZKABDZFEAK-UHFFFAOYSA-N
-1CFE3D6C005653A8_804DF2E9B9D1D96D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CC(C(OC)=O)(C)C3,LHYUZRTWYMFFAF-UHFFFAOYSA-N
-1EA30C9792688A9B_C3A731D18733E618_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=C(C)C=CN=C2)(=O)=O,VGYGCWXXSZADCZ-UHFFFAOYSA-N
-1EF70A9F2B4F869D_01EA3C775FFA94BD_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C3=NC=C(C(OC)=O)C=C3)=O,AYNCXVBYIOUFMB-UHFFFAOYSA-N
-207454118E3155F8_D3AB058974E430EC_6038_UN,COC1=C(C=CC(=C1)N2CC[S](CC2)(=O)=O)NC(C3=NC(=NC4=C3C=C[NH]4)C)=O,WTTLKDWQRUJDDI-UHFFFAOYSA-N
-20C086B46B30A1B5_3AAEC1A9C22C8CB0_6003_DP,N1CC(=CC1=O)OC2=CC=C(C(NC(C)C(=O)O)=O)C=C2,KSPHUYHRFRGWGR-UHFFFAOYSA-N
-21140C5DA682149C_D1803228B0435885_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C4=NC3=C(C=CC=C3)O4,FFDFBMNPAZGDFN-UHFFFAOYSA-N
-21C53371C6E654F7_39E460E3D1437452_6003_DP,OC(=O)COC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2,RSKAFTZVXPGNML-UHFFFAOYSA-N
-24F5DB68191258C8_681C5E94CE7EC328_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@@H]3CCOC4=C3C=C(C(C)C)C=C4,ZAEAVOATXQMQJI-HXUWFJFHSA-N
-25D91059C9776CEB_209FA72FBF75CA28_6038_UN,N(CC(=O)C1=CC(=C(C=C1)Br)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,TVCRUSCIIAWSSH-UHFFFAOYSA-N
-28286F2B3A1D41E5_FED04AF6885129BF_6029_UN,CC1CN(CCN1[S](C3=N[N]2C=C(Cl)C=CC2=N3)(=O)=O)C4=NC=NC(=C4)N(C)C,DLKQEFPFPYPPRA-UHFFFAOYSA-N
-29914197AF88FF72_93B4F79B8CFA53ED_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CCOC)C(=O)O,PFUUKSDSXNKTOM-UHFFFAOYSA-N
-2A26345B5460B76C_83749AEE592B488B_6038_DP,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=NC=C(C(O)=O)C=C4)=O,DKXYWDCMLWYYSA-UHFFFAOYSA-N
-2BA4339D3339D463_0B3B6555EDD4B037_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=NC=C2)(=O)=O)C3=CC(=C(C=C3)C)C,UHWLAZPBUXMDJL-UHFFFAOYSA-N
-2CA8463D1DF3FDA7_79E0E7E47B9EA201_6041_UN,OC(=O)C1=N[N](C=C1)C2=CC=C(C=C2)NC3=CCOC3=O,CFOKOZBPUNPUMP-UHFFFAOYSA-N
-2CA8463D1DF3FDA7_F5D34A40B1C03D84_6041_UN,OC(=O)C1=N[N](C=C1)C2=CC=C(C=C2)NC3=CCOC3=O,CFOKOZBPUNPUMP-UHFFFAOYSA-N
-2DD1665C0160656C_ADB2D49E178A6A4C_6038_UN,NC(=O)COC1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,GQSBTWHXESEGPA-UHFFFAOYSA-N
-2E476400D33DB2FF_B85434EFD615AC6C_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)OC(C)C,WNQPISDNRQXQRW-UHFFFAOYSA-N
-33C0EBBC984980C1_84D20743E8DBFCA7_6041_DP,C1(=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)NC4(CNC4)C(=O)O,UHYDYWOEOYHYQK-UHFFFAOYSA-N
-34E5AB03CCDE1BAB_1EEA97BB27E9EBDB_6035_UN,CC(OC1=CC=C(C=CC(OC)=O)C=C1)CN2CCNC2=O,VTKPPYMRSDQIBV-UHFFFAOYSA-N
-34EDDB02F57F9B2E_77CFA73B2B4C3072_6029_DP,FC1(CN(C1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CN=CC=C4,ZXKQSRFELJSOHP-UHFFFAOYSA-N
-35CCF8DA84260622_4F0A5BD4C1DC276A_6038_UN,O(C1=CC(=CC=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,XDAMTNYXQKOCSI-UHFFFAOYSA-N
-368111751B81F2E1_3E929804C34C7FEF_2267_UN,COC1=CC(=C(C=C1)C)C#CC2=N[NH]C3=C2C=CC=C3,CAAWVYZZCIAFGJ-UHFFFAOYSA-N
-37923E3A60B44AD3_E021A0ADFC439895_6038_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)C(C3(C(N(C)C)=O)CC3)=O,KJQMYINIZUWDBY-UHFFFAOYSA-N
-3BFBA160BB8D3C5D_C5EAF2D00E8AE962_6035_UN,O(C1=CC=CC=CC1=O)C3=CC=C2C=CC=CC2=C3OC,BBGOXZOBSKYYOE-UHFFFAOYSA-N
-3D802FE839A51079_2E72CB7095D58851_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=NN=CC=N3,AFOBKGPKAPRPEB-UHFFFAOYSA-N
-3DF2D200F1AFF1F4_4928620439DAC221_6028_UN,CC1CN(CCN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=CC(=C(C=C5)C)C,JRHZIFUJGOFBPS-UHFFFAOYSA-N
-3F5A48720703E4A0_B7929A1AE49B0397_6038_UN,NC(=O)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,MZMJCIRGLBQCEM-UHFFFAOYSA-N
-405969DA1A7857DE_8B3E965FF126AC32_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CC(OCC)=O)C=C3)(=O)=O,RRQFURQJEQEPIM-UHFFFAOYSA-N
-42AE7C1ADAE3AF53_C8258F11DD48CB38_6038_UN,CC(OC(C2N(C)CC1=NN=C([N]1C2)C)=O)C3=C(C=CC=C3)N(C)C,VMWQINOZACABKN-UHFFFAOYSA-N
-4517BE965741FFBE_0F00E498050DDC94_6028_UN,C1C(CN1[S](C2=CC(=C(OC)C=C2)OC)(=O)=O)C3=CC=CC=C3,KXOVBFNKMXABEZ-UHFFFAOYSA-N
-48531AADD6A9DFBF_52996E8B57A37CD8_2875_UN,NC(=O)C1(CC1)[N]2N=NC(=C2)C3=CC=C(N(C)C)C=C3,ROMNPZRXGGVKHM-UHFFFAOYSA-N
-4960687E69915C86_513BE90D280E7B43_6041_DP,CC(C)C(=O)C1=C(C=CC=C1)NC2=C(CO)C=CC=C2,KXHZPNCJRDGPOF-UHFFFAOYSA-N
-4960687E69915C86_82B14F7EA9DE0F7D_6041_DP,CC(C)C(=O)C1=C(C=CC=C1)NC2=C(CO)C=CC=C2,KXHZPNCJRDGPOF-UHFFFAOYSA-N
-4C1C4683CEB8F325_5640BB029A836D31_2875_UN,O[C@H](C[N]1N=NC(=C1)C2=CC(=N[N]2C)C(OC)=O)CC3=CC=CC=C3,WEHYGMCCAJNROF-ZDUSSCGKSA-N
-4C7EA45E1CFA3DD5_C8DF5CFC81AC9DA7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4,BTAADJWICHJRLE-UHFFFAOYSA-N
-4D5D25798BC2146F_54C40A5B52569918_6038_UN,CC(NC(C1=C(C)N=C(N=C1)N2CCOCC2)=O)CC3=CC=C(C=C3)N(C)C,FEHLOTJFIULYKB-UHFFFAOYSA-N
-4F061BC4D1CAB350_5662E01F200BD734_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C3=CC=C(C[S](C)(=O)=O)C=C3)=O,XLNONJKYTHIUFP-UHFFFAOYSA-N
-4F738E35F81F8A3F_940DACC93FF24749_6038_UN,CC(C)CC(NC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)C2=NN=N[NH]2,VBZCOEPMKZVHBS-UHFFFAOYSA-N
-516D9B3BBF6D6677_A734B3F61414E9F3_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2CC(OC)CNC2)=O)C=CC=C3,GXTZSZCNYDQXKV-XZNOPERXSA-N
-52704A11628E89FA_62C77695144326ED_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC=C(C=C2)N3CCOC3=O,XHRZZBJQADTPIT-UHFFFAOYSA-N
-52704A11628E89FA_6BF08758789BF509_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC=C(C=C2)N3CCOC3=O,XHRZZBJQADTPIT-UHFFFAOYSA-N
-52704A11628E89FA_9044855329AD899F_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC=C(C=C2)N3CCOC3=O,XHRZZBJQADTPIT-UHFFFAOYSA-N
-52C07CAE6E442863_8AEEE8B293DF0E92_6029_UN,N(CCC1=CN=C(C=C1)Cl)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,WDDXRSBIBZTMSB-UHFFFAOYSA-N
-5531BC082400682C_1DB6B575F9B11A42_6038_UN,CC(NC(C2=CC1=C(C=CC(=C1)OC)OC2)=O)CC3=NN=N[NH]3,XEDDILCMLUYNFR-UHFFFAOYSA-N
-55BA7B21A235D46D_A2C448EE5A1DA8D1_6029_UN,N(CC#N)[S](C1=C(C=CC=C1)OC2=NC=CC=C2)(=O)=O,CJCPZUKTAWBBGT-UHFFFAOYSA-N
-56ADF04EE251D8DA_925D83D44DC27193_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)C#C,QKVPJKLVUUQVGZ-UHFFFAOYSA-N
-57E7BA780739AD17_C281F362E2845E8A_6038_UN,C[C@H](OC(C1=NC(=NC2=C1C=C[NH]2)C)=O)CC(=O)N(C)C,PJCBSOGBLHAZJP-QMMMGPOBSA-N
-58C73A984AF94730_4CB23CE8746E83F7_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCN([S](C3=C[N](C)N=C3)(=O)=O)CC4,GBTKOBRWHRQTNX-UHFFFAOYSA-N
-5A4DA10B38AC6D1D_ACDAADD34D4D6A76_6041_UN,CC1=NC(=NC(=C1)N[C@H]3C2=CC=CC(=C2OCC3)C)[S](=O)(=O)C,BYBXBXIELZPAHG-CYBMUJFWSA-N
-5ECCC752DADD0D7A_CB36BFCD906766A3_6041_UN,CC(C)C(=O)C1=CC(=CC(=C1)F)NCC2=NN=C(N(C)C)[NH]2,AVFCEWBOBWDWPA-UHFFFAOYSA-N
-606C9B11981D9AB8_EAEB266DDEC2D2F4_6029_UN,CC1CN(CCN1[S](C2=CC=CC(=C2)C(F)F)(=O)=O)C3=CC=NC=C3,VGRZYLRATYUCLA-UHFFFAOYSA-N
-6355991955941520_C4491ADA6906BF42_6029_UN,COC1=CC(=CC(=C1)N[S](C2=CC=C(C=C2)OC3=CC=CC=C3)(=O)=O)O,LICFAHZTWAYOAZ-UHFFFAOYSA-N
-65B2B89BA55B5919_CB82D01CDB0C072F_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CN=C3,YDMHVAYINRXMLI-UHFFFAOYSA-N
-66AD65F8CFE9048A_FFEA91D45C34C11E_6029_UN,CC1(CC(C1)N[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,DSKOLFREXYZOHK-UHFFFAOYSA-N
-67044DD5FB5052FE_4F2E3C9FFF048563_6029_UN,C1N(CC=C(C1)C2=CC=CS2)[S](C3=C(OC)C=CC(=C3)C#C)(=O)=O,RBVMBMFXAJGXEF-UHFFFAOYSA-N
-676AF2E52CA86CDD_5FF47A05F14939C7_6029_DP,N(C1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,PVKRVGSGOJDLLM-UHFFFAOYSA-N
-679F08B9507071B4_944BD98F3C32095E_6029_DP,N1CCC(CC1)C(CN[S](C2=C(CF)C=CC=C2)(=O)=O)C3=CC=CC=C3,NHUJCBSLYDDWMU-UHFFFAOYSA-N
-6ABF5C52ABE28C75_C7FB48D65CC64929_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC(N3CCNCC3)C4=CC=C(C=C4)Cl,HRLHUGYYQAVKIH-UHFFFAOYSA-N
-6AD682A5F70C8169_6D2B43D8166F8887_7019_DP,C(C1=CC(=O)NC2=C1C=CC=C2)=CCC3=CC=C(O)C=C3,DFBJIMINLNMNSC-UHFFFAOYSA-N
-6E7439C27FFABE9C_FB3E1AB70DE95F9D_6038_UN,CC(NC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)CC3=CC=C(C=C3)N(C)C,JFWGNDXSJQNQTO-UHFFFAOYSA-N
-71CB8C164219BBBA_6D0A81C117714303_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=C[NH]C(=N2)C3CCN(C)CC3)=O)C=CC=C4,MDUFMNVDEHWOSG-CZUORRHYSA-N
-71F17E84CD43221F_BDD2CAED95F1DB99_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2CCC3)(=O)=O)C4=NC(=CC=C4)C,FCFKIFMCJTXVDK-UHFFFAOYSA-N
-73761CEA905EB9BE_E35436C7A3A96155_6027_UN,COC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,IBGCKJGQZZJZAI-UHFFFAOYSA-N
-752F268F81D53341_C8A8BD9A31FC0A4C_6003_UN,O(C(CC(=O)O)CC(=O)O)C1=CC=C2C(=C1)COC2=O,YFPKRESOLRAZSX-UHFFFAOYSA-N
-75C37B61F9265E33_CB7C82AF5F7B5EF1_6029_UN,C1CN(CCN1[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O)C5=C4C=CSC4=CC=N5,GWRDXJHDDMSYHY-UHFFFAOYSA-N
-76B9D0EE7A617CC1_470B2B37127E31AA_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NCC3(C(OC)=O)COC3,GYEDCMKVQKFLFK-UHFFFAOYSA-N
-76D6876C19A9ACF2_B1426EF4AA12B70B_6041_UN,COC(=O)C1=N[NH]C=C1NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3,RATSGEKCEWXRGF-UHFFFAOYSA-N
-7755201B282C7B57_438D5887B1D6BC18_6038_UN,CC(OC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)C3=C(C=CC=C3)N(C)C,WUMHJHVJNNRPAW-UHFFFAOYSA-N
-79387581B03D6249_4AB985DDAF9E6775_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C(OC)C=CC(=C2)C,IUXVAOVIDYEVSY-UHFFFAOYSA-N
-7C3C50A27580C2C0_D76A68148D2B47CD_6029_UN,C1CN(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,UBYSSBQICNYDIN-UHFFFAOYSA-N
-7DF0176F6B250770_1DFC340E864A9210_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@H]3CCOC4=C3C=C(C(C)C)C=C4,ZAEAVOATXQMQJI-FQEVSTJZSA-N
-7EDB963399A13AD9_D23F34446D067A1B_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C3=CC(=NC4=C3C(=NO4)C(C)C)C5=CN=CC=C5)=O,BXRWWTRNDRQZMF-UHFFFAOYSA-N
-8070C06753B82FD0_BF4000C0F38067B1_6041_UN,C1(=CN=C(C#N)[NH]1)N[C@@]2(CC(C)C)[C@H](C2)C3=CC=CC=C3,SLUCBAWPKLNYRJ-RHSMWYFYSA-N
-80F2C6EA1B5D4510_760F0E47A97E3227_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=CC=C(C=C2)OC3=CC=CC=C3)(=O)=O,DNLJYMFRHILDBX-UHFFFAOYSA-N
-84B3F8C5991CD1E9_9B6AF9CD18F7F727_6038_DP,N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(C3=CN=CC(=C3)C(O)=O)=O,SIWICIOWUHQIFR-UHFFFAOYSA-N
-86045EC8903CE961_D78A2400656D1886_6003_UN,O(C1CC1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,ZKJCESPCANCDFB-UHFFFAOYSA-N
-874C271D76112E07_886166C0BE4DEF5B_6041_UN,OC(=O)C1=C(SC=C1)NC2=CC(=CC=C2)N3CCOC3=O,JRSHFJVAFKDSSL-UHFFFAOYSA-N
-8790FB1C4C82AEFD_27DC20C88D7E44B8_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC(=CC=C2)N3CCOC3=O,SNLWGNWRKQDTSL-UHFFFAOYSA-N
-8790FB1C4C82AEFD_D55FD30EB090EBCA_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC(=CC=C2)N3CCOC3=O,SNLWGNWRKQDTSL-UHFFFAOYSA-N
-8790FB1C4C82AEFD_DC6822C3DC48382E_6041_UN,OC(=O)C1=CSC(=C1)NCC2=CC(=CC=C2)N3CCOC3=O,SNLWGNWRKQDTSL-UHFFFAOYSA-N
-88A7AAFE62C249CD_C959CD2B7CC432BE_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5)Br,OCWOPEUOIDICFT-UHFFFAOYSA-N
-89362CB0DF636BA7_D9AA60130D12562E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)C(=O)O,PBLWXKKRIGBSTQ-UHFFFAOYSA-N
-89640886B66EFADC_5DCDDE8E3CC8EC12_2875_UN,O[C@@H](C[N]1N=NC(=C1)CNC(C)=O)CC2=CC=CC=C2,PNZGCUYCCREKIE-CQSZACIVSA-N
-8993642D1FB62DFA_DC5F341F9AD2AEA2_7022_UN,COC1=CC(=C(C=C1)OC(COC)C2=CC=CC=C2)C,MINHMDWNZMKDCP-UHFFFAOYSA-N
-89A2EC04A6FF2B0D_8B1F7649DC257D42_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)Br)[S](C3=C(C=CC=C3)Cl)(=O)=O,BXMUQOIAJAYZLX-UHFFFAOYSA-N
-89C5D935A29C84C3_7778389D16038B44_6038_UN,CC(=O)N1CCN(CC1)C(=O)CCNC(C2=CN=C(N(C)C)C=C2)=O,USDRTSVKGGRDNH-UHFFFAOYSA-N
-8A0CA9A8A3A0214F_D7CD3155FF13BB82_6029_UN,FC1(CN(C1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O)C3=CN=CC=C3,UCOQUYRQDZHGEM-UHFFFAOYSA-N
-8A55767CDF4BEA1A_B0B89BF79E39F694_6041_UN,C1(=NN=C2COCC[N]12)NCC(C(N(C)C)=O)CC3=CC=C(C=C3)F,SCBOHSAOOZKJDF-UHFFFAOYSA-N
-8E0BB6524FB77A66_D0ADA8A3CFE2E96C_6026_UN,ClC1=CC=C(C=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CC=C(C3=CC=C(C#N)C=C3)CC4,MPSDYNMORCKVAG-UHFFFAOYSA-N
-8E9ADBAA02E49667_BD4E4E03656B1B3C_6038_UN,N(C(C1=NN=N[NH]1)C2=C(C=CC(=C2)F)F)C(C3(C(N(C)C)=O)CC3)=O,JJDDKPVWLABCRX-UHFFFAOYSA-N
-8F452D403B8DE980_3C3CC660D441BB27_6038_UN,N(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,SXBAJKPCYBZVCW-UHFFFAOYSA-N
-923109404C770CFF_699EA6980A33C9DF_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NCC3(C(OC)=O)COC3,GLRDVBXLRJGLSL-UHFFFAOYSA-N
-92CA9F4EB16E99AC_5F95CA9A370A033C_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=NN=C(C)C=C3)=O,XKKMWGZNZVZXGX-UHFFFAOYSA-N
-92ED88B91D388D80_17F185A6D398267E_6038_UN,CC(NC(C=CC1=C(C=C(OC)C=C1)C)=O)CN2C(OCC2)=O,YKEWJMZOGGHGKU-UHFFFAOYSA-N
-93C1BDCA5E501FBF_9DD61BFE4741153B_6029_UN,ClC1=CC(=NC=C1)N2CCN(CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,BRPFSOSHRKBDLH-UHFFFAOYSA-N
-944AC89073B73968_438C36E480C7B2E8_6029_UN,CC1C(C(CCC1)C)N[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,NDLRESWJPUBFAB-UHFFFAOYSA-N
-94FEC9970805D218_8ECCBFA2C5D18CFE_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=C(COC)C=C2)=O)C=CC=C3,USPIMNPFDBQQHW-CXAGYDPISA-N
-98524CA11E3F528D_60E6ECAA48879DF6_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,PFWARUXPLMWWAE-UHFFFAOYSA-N
-98B7F35530BBFD8E_E0001826141C8953_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)OC(C)(C)C3)N(C)C,UYAYTWUXVAZHCJ-UHFFFAOYSA-N
-994F695523538D92_F04FC908CDA92BDB_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,SNFQDLDHNCJJEJ-UHFFFAOYSA-N
-9989A2D5E99C0A68_97DFBC3E0147094A_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3(C)C4=C(OCC3)C=CC=C4,YRPBDSRXRVXLGN-UHFFFAOYSA-N
-99E8098C558DF2C3_0BD8DBC4F9951324_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC(N(C)C)=O,VOWBIYPTWMUOKZ-UHFFFAOYSA-N
-99EA6CFCEE8DE3E4_0B2B9D216CD0F2E9_6038_UN,CC(NC(C2[N]1C(=NN=C1C)CC2)=O)CC3=C(C=C(C=C3)N(C)C)C,CDKXCTFVIIPFJC-UHFFFAOYSA-N
-9BB6464BC7518608_255DC04D69ADC28C_6038_UN,CC(NC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)C3=C(C=CC=C3)N(C)C,CTWLISXGHGBSEM-UHFFFAOYSA-N
-9BE97E577152F82C_9B8C6473463E3957_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(COC)C#C,UBGSDVSGRRUVQH-UHFFFAOYSA-N
-A07BEE4CDED6D359_E75BC80FC2B2B6A7_6038_UN,NC(=O)CCOC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LVKSVICMCSOPRR-UHFFFAOYSA-N
-A131EA0D2DB2BCBE_5C2DA64DBCD85579_6003_UN,O(C1=CC=C(C=C1)N2CCC2=O)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,SYKHGLXVHCQBGK-UHFFFAOYSA-N
-A135EEE4E2F10AFA_588AC8ABE2CDB0CB_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2N=CC=N2)N[C@H]4[C@H](C3=CC=CC(=C3)OC)C4,VEVLHCPKPRBNRS-ZWKOTPCHSA-N
-A1DBA5756D009EE2_4A8A633D2F366312_6028_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC(=CC=C3)Br)(=O)=O,VRWRREFDNAMPOI-UHFFFAOYSA-N
-A1FD7B7A5FC07E4B_54A3F30F0E887039_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C([N]3N=NN=C3C)CC4=CC=CC=C4)=O,XNGPRARCECTKQD-UHFFFAOYSA-N
-A4B0FFD8066C23BF_AC0C5184C6E2E29E_6038_UN,N(C1=C[NH]C2=C1C=CC=C2)C(C3=CC=CC(=C3)C[S](C)=O)=O,DPTUDSPPWLHBOM-UHFFFAOYSA-N
-A4D281796BD4E553_098C6492C5DF0B7C_6038_UN,N(C2=C1N=CC=CC1=NC=C2)C(C(NO)CC3=CC=CC=C3)=O,OGKGJIJDYGPQFF-UHFFFAOYSA-N
-A55DA52A96577AEC_E00248ED00FAE53D_6029_UN,C1CN(CCN1[S](C2=CN=CC(=C2)C(C)Br)(=O)=O)C3=NN=CC=N3,JYEZLYXEUZBCEZ-UHFFFAOYSA-N
-A5C47802BBD4DE90_D6F379D75C0ED952_6029_UN,N(OC1=CC(=CC=C1)C#N)[S](C2=C(O)C=CC=N2)(=O)=O,ILJASKWFEPHIIS-UHFFFAOYSA-N
-A5EB0793C4890233_88B3F2822BF2E679_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)CC5=CC(=CC=C5)Cl,VUPIQQCUWKGTPJ-UHFFFAOYSA-N
-A70CB22847127FED_A891B2436D9C7067_6041_UN,CC1=NC(=C(C=C1)C#N)NC(C)C3=NC2=C(C=CC=C2)[N]3C,BAJDMSJZYQMSHY-UHFFFAOYSA-N
-A997F74152D48704_6BFC5A0B364430A6_6038_UN,C[C@@H](NC(C2=CC1=C(C=CC(=C1)OC)OC2)=O)CC3=NN=N[NH]3,XEDDILCMLUYNFR-SECBINFHSA-N
-ABB245D2EE6824D4_841ECDF1B3DD372D_6038_UN,COC1=C(C=CC(=C1)N3CCC(OC(=O)C[N]2C=NN=N2)CC3)[N](=O)=O,OASLZUVQRKWOEH-UHFFFAOYSA-N
-AD554ED16C1DD19E_5DD7E7D1C04B96A8_6036_UN,C(C1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)N3[S](CCN(C)CC3)(=O)=O,XXUSYVGIAKRTLN-UHFFFAOYSA-N
-AEBEBC5358D8BD19_57AD98F6F19432F2_6034_UN,C(NC2=C1N=CN(C1=NC=N2)CC3([S](C)(=O)=O)CCC3)C4=CC=CC=C4,WKWSKCQIJYFQIT-UHFFFAOYSA-N
-AEC6A26AC7985A59_026A6081BA06141C_6038_UN,N(C(C1=NN=C[NH]1)C2=CC=CC=C2)C(CC3OB(O)C4=C3C=CC=C4)=O,LCKXSSMOAIBAKZ-UHFFFAOYSA-N
-B1744DC6168D8B37_120A1C648B24FCF7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)CCC(=O)O,UCSYLAANGDBKJL-UHFFFAOYSA-N
-B250F3FC702A87FF_4323AAB2D0395429_6038_UN,CC2=N[N]1C=C(C=CC1=N2)NC([C@@H](C)C3=CC4=C(C=C3)OCO4)=O,IHRLQAGPSLFGKV-JTQLQIEISA-N
-B52E7E05F7402F8D_62DEEB88A37E36E2_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC(=CC=C2)N3CCOC3=O,IYGFYIQETQMYJV-UHFFFAOYSA-N
-B52E7E05F7402F8D_6BE91A45CFA6E506_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC(=CC=C2)N3CCOC3=O,IYGFYIQETQMYJV-UHFFFAOYSA-N
-B52E7E05F7402F8D_996AE983F2484A74_6041_UN,OC(=O)C1=CSC(=C1)NC2=CC(=CC=C2)N3CCOC3=O,IYGFYIQETQMYJV-UHFFFAOYSA-N
-B68F261950FF8ECD_7C9FD612C7394AF5_2875_UN,OC(=O)[C@H]1C[C@@H](C1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,FYNYXFFKONDRDT-CTYIDZIISA-N
-B8AA44ED30EFD126_81B79A636DEF2399_7017_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC(=C(C=C3)F)C)CNCC4,IMQKCPVXOBRFDT-UHFFFAOYSA-N
-B8E7340826CF536A_ED93635C2E8FCFF9_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,GDJCHEUKRSYSRF-UHFFFAOYSA-N
-B9F61D75D1487CC8_CB1A320069FBC4B0_6003_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C3=CC=C(C(C)=O)C=C3[N](=O)=O,KVUMHCBCRFGHHQ-UHFFFAOYSA-N
-BA31DB3A0D18E8CF_A96060BABDC810BE_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)F,XVGBIVUVSTVREY-LBPRGKRZSA-N
-BAA01C46AA0F59A9_A93E066AEEC70F55_6041_UN,COC1=C(C=C(C=C1)C(O[Si](C)(C)C)C#N)NC2=C(C=CC(=C2)C3=N[NH]C=N3)F,HWYWHLOLXCYBNE-UHFFFAOYSA-N
-BDAA406ECCDEF487_9F2C3DC1AB9E72A0_6038_UN,N(C1=CC(=CC=C1)N2N=NNC2=O)C(CC3(C(OC)=O)CC3)=O,KRDFQJKIYKYCIX-UHFFFAOYSA-N
-BDF0AC8DA1367500_BF4020D47B23FF8A_6029_UN,COC1=CC=C(C=C1)OC2CCN(CC2)[S](C3=CC(=CC(=C3)C)F)(=O)=O,DIKBIYQZXCGNCQ-UHFFFAOYSA-N
-BECB79500B0605C8_918890CD856CBC94_2875_UN,N3=N[N](C1=CC=C(C=C1)C2=CC=CC=C2)C=C3C4=CC=C(C(O)=O)C=C4,XOTNOSMORZAXBX-UHFFFAOYSA-N
-C4CFB8275D379527_E7EAA97D0920D38C_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(N(C)C)=O)C2=CC(=CC=C2)Br,ZRYLSPIGQWWJKU-LBPRGKRZSA-N
-C4EE1E5C8D918E00_90B19C11AE002289_6031_UN,O(C(=O)C[N]1N=NN=C1C2=CSC=C2)CC3(CC(N(C)C)=O)CC3,ZDKJLEIFDPYKKU-UHFFFAOYSA-N
-C794B2D3C54777AF_848526B854789E55_6029_UN,COC1=CC=C(C=C1)C2CCN(CC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,YSPJAGPOXBAKST-UHFFFAOYSA-N
-C9C1FC2AF715C9FB_5DAE61A41B19E0D0_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=C([S](C)(=O)=O)C=C4)=O,YGHCYXZGZYPARE-UHFFFAOYSA-N
-CA92514B0E3F6DA3_7809F337A054AEFD_6041_UN,OC(=O)CC1=C(SC=C1)NC2=CC(=CC=C2)N3CCOC3=O,BCDFODIUHOMJCY-UHFFFAOYSA-N
-CA92514B0E3F6DA3_8311D86A1A15A7A9_6041_UN,OC(=O)CC1=C(SC=C1)NC2=CC(=CC=C2)N3CCOC3=O,BCDFODIUHOMJCY-UHFFFAOYSA-N
-CAEEE1C6DE8E7F78_E60E5BCF18CA8402_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)Cl)[S](C3=CC(=CC=C3)I)(=O)=O,KORSRKKQZRXBPN-UHFFFAOYSA-N
-CC70C29D110BC524_18DAD03F6F53DD9C_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C3=CN=C(C)C=C3)=O,RLMDQYFCOROHSQ-UHFFFAOYSA-N
-CCDB2FB513452D18_F147F6F0C0BAB31B_6029_UN,CC1CN(CCN1[S](C2=CC=NS2)(=O)=O)C3=CC(=C(C=C3)C)C,WANXUGZXQWRCGZ-UHFFFAOYSA-N
-CD8EE949DA597468_C0C9D4DFC6F6FA22_6029_UN,C1CN(CCN(C1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)C4=CC=NC=C4,JIMRWRFQDRQLMY-UHFFFAOYSA-N
-CEC3B274D82F59EC_B71934640D2722AC_6038_UN,CC1=NC2=C(C=C1)C=CC=C2NC(C3CC(C)OC3=O)=O,FDWVJGIJZRBIMZ-UHFFFAOYSA-N
-D08D48F749483D4D_8E70DE82573BAE52_6035_UN,CC(OC1=CC=C(C=C1)C2=NC3=C(N=C2)C=CC=C3)C4(CC4)[S](=O)(=O)C,TZLLBAYSDFYPMQ-UHFFFAOYSA-N
-D127EA4E32ED3458_FACFA2276DF33ADD_2875_UN,O[C@H](C[N]1N=NC(=C1)CNC(C)=O)CC2=CC=CC=C2,PNZGCUYCCREKIE-AWEZNQCLSA-N
-D241DA96D5F9129E_209FF1469A417127_6041_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC(=C(C=C3)C(=O)O)S,SBICZOHGWOUSMA-UHFFFAOYSA-N
-D241DA96D5F9129E_DBDBB2D2E425B629_6041_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC(=C(C=C3)C(=O)O)S,SBICZOHGWOUSMA-UHFFFAOYSA-N
-D326C1195110D867_40AB7EC21F46F5EC_6038_UN,N(CCOC1=CC(=C(C=C1)F)Cl)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LRACLVJLUOJXCZ-UHFFFAOYSA-N
-D36ECAA3EB69CA1D_15B4A123A8EFB51B_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3N=CN(C)C3)=O,VHCMKDAMBYHCPC-UHFFFAOYSA-N
-D4F96CC0BB6C1DAE_B9BC538D6C28C900_6038_UN,NC(=O)COC1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FQGDDMDJKMZTTM-UHFFFAOYSA-N
-D53B1043C3D3CC15_6E1BDE3CC894E395_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC)C(=O)O,PBLWXKKRIGBSTQ-JTQLQIEISA-N
-D785796E676E5B28_039D4037F22EE91A_6028_UN,CC1CN(CCN1[S](C2=C(F)C=NC=C2)(=O)=O)C3=CC(=C(C=C3)C)C,STUUHUBOMZSZIG-UHFFFAOYSA-N
-D785796E676E5B28_CBF91F581DCF5032_6029_UN,CC1CN(CCN1[S](C2=C(F)C=NC=C2)(=O)=O)C3=CC(=C(C=C3)C)C,STUUHUBOMZSZIG-UHFFFAOYSA-N
-D848DE9F3DBD0B76_79691B863E9E2DD3_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC4=C(O)N=C3C=CC=CC3=C4,JIHSJJGHSQIOEB-UHFFFAOYSA-N
-D893E8240FC9E28A_9DCDFC5C527418CE_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=CC(=NN=C3C)C)=O,WKXIQLKAEROKKK-UHFFFAOYSA-N
-D93DF4D6B3E6AEC9_111677F9DA16384A_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3=CCCC3,UTLGFKALZLMVMV-UHFFFAOYSA-N
-D96541FD24D48113_DA59368794F9C775_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Br)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,YNLWPSGKKMURCL-RHSMWYFYSA-N
-DAA5F373E93C84B9_12EAE41AC633F837_6041_UN,C1(=CC2=C(C=C1)ONC2=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,RUJFSTZRSKAKCK-UHFFFAOYSA-N
-DBE5541B5D2E1D49_8D476198564F8AD8_6026_UN,FC1=CC(=CC=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)[N]3C)CC4)Br,MZQIJRFOKBFEFF-UHFFFAOYSA-N
-DC471A83EDB7CEE7_9A32574067CF244E_6026_UN,FC1=CC=C(C=C1)OC2=C(C=C(C=C2)[S](=O)(=O)N4CCN(C3=NN=C(C)[N]3C)CC4)Br,YVEOZBFONSPWOA-UHFFFAOYSA-N
-DC878D376442E640_F142C7ABCBB8BBFE_2875_UN,O[C@@H](C[N]1N=NC(=C1)C2=CC(=N[N]2C)C(OC)=O)CC3=CC=CC=C3,WEHYGMCCAJNROF-CYBMUJFWSA-N
-DCAFD164A1D5CD1F_3C00C57889C218B9_7017_UN,CC1=CC(=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=CC(=C(C=C3)F)C)CNCC4,XDTQPMZGFVUZCI-UHFFFAOYSA-N
-DCE6413FE2631F34_4538FCD0C99C3DE7_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=N2)NC(CC)C3=N[N](C=C3)C,IWTRFJRVQAJHDP-UHFFFAOYSA-N
-DD9FE2632375EDA1_3F86BF90C23BA82B_6038_UN,N(CC1=NN=N[N]1C2=CC=C(C=C2)F)C(C3(C(N(C)C)=O)CC3)=O,MUTAFEKBTMQINK-UHFFFAOYSA-N
-DF9F943A8BDCEF73_71A2E24328B65506_2875_UN,O[C@H](C[N]1N=NC(=C1)CCC(C)=O)CC2=CC=CC=C2,ANGHYRBSAKYNQV-HNNXBMFYSA-N
-E0070FE5471F8F5A_F12499FBC7C12E12_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=C(C=C3)F)CC4,JRXQFAZBSIWMHL-UHFFFAOYSA-N
-E0AE4767D8E3E431_2F580F8355765F5F_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)COC,FSSLFHCARHXYSA-UHFFFAOYSA-N
-E45FEFCE0FDF0195_407EECE3FDAAE66E_6041_UN,OC(=O)C1=C(SC=C1)NC2=CC=C(C=C2)N3CCOC3=O,AGDSWDSNSHLKBA-UHFFFAOYSA-N
-E58D163E72A98320_246589FFD9DFBBA0_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=CN=C(N3CCN([S](C)(=O)=O)CC3)C=C4)F,WPOMUZBVEJBJJN-UHFFFAOYSA-N
-E85DB2191379A299_6F84B847D3B6C6C7_6029_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,NMQJOOSJGMXCRZ-JCNLHEQBSA-N
-EB6A77E4547C6DEE_B41C2652C4590813_6038_UN,CC[N]1N=NN=C1C2=CC(=CC=C2)NC(C3(C(N(C)C)=O)CC3)=O,DSIIAHSVLVFLKM-UHFFFAOYSA-N
-ED1B84672D1ABE07_2E863F42213B0219_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N4C(C3=N[N](C)C=C3I)CCCC4,ILBZDAPQGBAIFS-UHFFFAOYSA-N
-EDA93C14A9851BE9_5CE8E043F45F3796_2875_UN,OC(=O)[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,WJEQFGMQLQJOQA-HAQNSBGRSA-N
-EE64A36110F7EEC4_9CCB4169FCC94613_6041_UN,CC(C)C1=NC=C([N]1C)NC2C3=C(CSC2)C=CC=C3,NMUPXRJLOQQMKI-UHFFFAOYSA-N
-EF195DC40AF0ED7A_598056F03688CE65_6029_UN,N(C1=C(C(=CC=C1)C(F)F)Cl)[S](C2=CN=C(C=C2)N3CCSCC3)(=O)=O,BUUTYBJLDIDXOW-UHFFFAOYSA-N
-F02CFB4117612F6C_C2534176B82A4CA9_6029_UN,CC1CN(CCN1[S](C2=CC=C(C(C)O)C=C2)(=O)=O)C3=NC=C(C=C3)F,XROXPWIZDMBLJJ-UHFFFAOYSA-N
-F2018376BDBC7A6A_FB8CE966C409108B_6038_UN,CC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)CC3=NN=N[NH]3,GGDCLZYUDVAMAC-UHFFFAOYSA-N
-F5995094E748EA36_27AE473CBEC97D6F_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C3=C(N=CC=C3)C4=NC=CC=C4)(=O)=O,DLMBIJJGRPTGFB-UHFFFAOYSA-N
-F60EDF5399E57CF5_93FEFE8E5429266B_6029_UN,CC1CN(CCN1[S](C2=C(Cl)C=CC=N2)(=O)=O)C3=CC(=C(C=C3)C)C,JMZPBCDNUQYDCH-UHFFFAOYSA-N
-F62C4946F4F266B4_65EE5A055CF06D9A_6029_UN,OC1(CN(CC1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)CC5=CC=C(C=C5)F,IGTHNIAEUYFVBZ-UHFFFAOYSA-N
-F826DAF5C2FB7EEE_6D474E7170323FAB_2875_UN,CC([N]1N=NC(=C1)C(N(C)C)=O)C(O)C2=CC=C(C=C2)C,DGHFIUFWROUZSH-UHFFFAOYSA-N
-FB2A5D3DB99D08EA_8DC606180BFC3A6F_6038_UN,C[C@@H](NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)CC3=NN=N[NH]3,GGDCLZYUDVAMAC-LLVKDONJSA-N
-FBC64582CF7F4464_EC7CBA6EB70E6BE2_6038_UN,CC(NC(C1=C(C)N=C(N=C1)N2CCOCC2)=O)C3=CC=C(C=C3)N(C)C,OHCYZRSWDNQJSV-UHFFFAOYSA-N
-FCE739B4B11791EC_EFFADDB5C232AEE7_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CC=C(CO)C=C3)(=O)=O,MWTSNLDWAHYYDO-UHFFFAOYSA-N
-FDCF3774FA9E7D92_37D94E654FA39977_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(COC)C=CC=C2)=O)C=CC=C3,KGDDDOOJGLRGRJ-CXAGYDPISA-N
-FE3BE78FDA205B4C_37C2525E71641752_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=CN=CC(=C3)C)CC4)Br,XZMMKTNXXPZPRS-UHFFFAOYSA-N
-FE481C850D8C4093_8F10E37501F3B37C_6038_DP,N(C1=C(C=CN=C1)OC2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,HVRHOSNSVXQZGM-UHFFFAOYSA-N
-FEFA691A8F89A310_D2EE51FC3D9C1A7F_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C3(C(N(C)C)=O)CC3)=O,AJRBWISQPPUTBI-UHFFFAOYSA-N
-rxn:1:50430:29519,CN1CCN(C(=O)c2cc3ccccc3c(=O)n2Cc2cn(CC3C(c4cncc(C(=O)O)c4)C3(F)F)nn2)CC1,FLRGKVDSVHWFQV-UHFFFAOYSA-N
-rxn:1:50735:8285,CCC(=O)c1cccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)c1,QKVJNHSTNZBUCO-UHFFFAOYSA-N
-rxn:1:50739:8285,CC(=O)Cc1ccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)cc1,YWKHEGKRWTVGPA-UHFFFAOYSA-N
-rxn:1:50790:35671,CC(C(=O)Nc1ccc(-c2cn(CC3C(c4cnc(C(=O)O)c(N)c4)C3(F)F)nn2)nc1)N1CCCC1,YYSCHUOIKWYHQB-UHFFFAOYSA-N
-rxn:1:51539:8130,CC(=O)NCC1C(c2ccccc2-n2cc(C(=O)N3CCC(c4cc(O)nc(C)n4)CC3)nn2)C1(F)F,MGWOICUXYPYUDK-UHFFFAOYSA-N
-rxn:1:54197:13775,CC(=O)N1CCN(C(=O)c2cccc(-c3cn(CCC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)c2)CC1,VGNNEANQEMKQLU-UHFFFAOYSA-N
-rxn:1:54197:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CCC3C(c4cccc(C(=O)O)n4)C3(F)F)nn2)CC1,NUUGQWRCCVOFNP-UHFFFAOYSA-N
-rxn:1:54197:29387,CC(C)N1CCN(C(=O)c2ccccc2-c2cn(CCC3C(c4cccc(C(=O)O)n4)C3(F)F)nn2)CC1,PSCYODUXGJBMNE-UHFFFAOYSA-N
-rxn:1:54481:35671,CC(C(=O)Nc1ccc(-c2cn(CCC3C(c4cnc(C(=O)O)c(N)c4)C3(F)F)nn2)nc1)N1CCCC1,MNGWNOYRLXTMRA-UHFFFAOYSA-N
-rxn:1:54771:8931,CC(C(=O)NCc1cn(CCC2C(c3ccc4c(O)ccnc4c3)C2(F)F)nn1)N1CCNCC1,HKFDSNXEJSZXKO-UHFFFAOYSA-N
-rxn:1:59742:32946,CC(=O)N1CC[C@H]1C(=O)Nc1ncc(Br)nc1-c1cn(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)nn1,HBSJMZKYURHKQV-IBGZPJMESA-N
-rxn:1:59751:13334,CCC(C(=O)N1CCC(n2cc(-c3cccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)c3)nn2)CC1)c1ccccc1,XBBAUCVSKFFOIZ-UHFFFAOYSA-N
-rxn:1:59804:29382,Cn1nc(C(=O)N2CCC(n3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)CC2)ccc1=O,LMFBSQHHKGROTR-UHFFFAOYSA-N
-rxn:1:60220:29382,CSc1cccc(C(=O)N2CCC(n3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)CC2)c1,UOBBZPWBMGSFNJ-UHFFFAOYSA-N
-rxn:1:61538:24928,CCC(=O)c1ccc(N2CC(c3cn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)CC2=O)cc1,GOZMSKLJKQRIHO-UHFFFAOYSA-N
-rxn:1:63040:10780,CCc1ccnc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2=O)c1,KZTQYRQJGVSBGS-UHFFFAOYSA-N
-rxn:1:63400:24526,CC(c1cccnc1)N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,QVWPQHOLJWBAFV-UHFFFAOYSA-N
-rxn:1:63400:24533,CC(c1ccccn1)N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,UJQAXIPBIVJHOH-UHFFFAOYSA-N
-rxn:1:64328:13334,O=C(Nc1ncc(Br)nc1N1CCCC1)c1cccc(-c2cn(CC3CC(=O)N(c4c(I)cccc4C(=O)O)C3)nn2)c1,RDLMQLBMQPFLFL-UHFFFAOYSA-N
-rxn:1:64429:13334,O=C(Nc1ncc(Br)nc1N1CCCC1)c1cccc(-c2cn(CC3CC(=O)N(c4c(O)cccc4C(=O)O)C3)nn2)c1,SHASFIFHQGHZSE-UHFFFAOYSA-N
-rxn:1:64921:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4cnccc4C(=O)O)C3)nn2)CC1,ATTXIOWJBBNHMY-UHFFFAOYSA-N
-rxn:2:138546:149518,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCS(=O)(=O)CC2)cc1,APTAZHYIHULDRQ-UHFFFAOYSA-N
-rxn:2:69390:149518,CC(N[C@H]1CCCN(c2ccc3c(c2)OCO3)C1)c1ccc(N2CCS(=O)(=O)CC2)cc1,CXAKDHPBJGDUKW-IJHRGXPZSA-N
-000E1B7E6B42ECBA_6216B0D1414CE07F_6028_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=NC=C[N]2C3=C(C)C=CC=C3)(=O)=O,LWMHKLRILJGRBH-STQMWFEESA-N
-00F3828B54400452_3862854D37BA7912_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CN=C(C=C4)C5CCC5)(=O)=O,GXMNIRJFIJIAJA-UHFFFAOYSA-N
-0225A0E670F932DA_23A7DAA09E8FF377_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C)C=CC=C2Cl)CC3)C,SFEIHDWEWYPNKT-UHFFFAOYSA-N
-035F3E3C77D19F24_5890EF37ECBCC15E_6028_UN,N(C1=CC(=CC=C1)B(O)O)[S](C2=NN=C(C(C)C)[N]2C3CC3)(=O)=O,MYHVZZYAZWQCJF-UHFFFAOYSA-N
-035F624A6383FA30_FE3A40B049D9DAAA_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5,FDVAXVHDMSSPPI-UHFFFAOYSA-N
-03CACC7101D34C7B_1442B6747AE93243_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3C[C@H]2CC(OC)[C@H]2C3)=O)C=CC=C4,BJDBBFPQJUBEPM-WRHXLHKNSA-N
-04A3718BAD9B29E1_964A3FF054AC4674_6029_UN,CC(C1=CC=CC=C1)C2(CC2)N[S](C3=C(SC)C=CC=C3)(=O)=O,DNQWYVKXMFJXGH-UHFFFAOYSA-N
-04A410D1B24F6379_4410EDF0CB3CCCCC_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC([C@H]3N(C)C(CC3)=O)=O,GOPAYGAKHJRMQI-ZDUSSCGKSA-N
-04D03136686569B7_10ABA01060B85A11_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=C4,UGHXJBUUCJKXCG-UHFFFAOYSA-N
-060828C99EF6A345_0465D6238B4098F3_2875_UN,N2=N[N](CC1CCCC1)C=C2C3=C(C(C)=O)C=CC=C3,WWHNBYJMAMWLNR-UHFFFAOYSA-N
-061165F4C6CE2B18_8FEEF01AC08EFC56_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=C(COC)C=C3)F)(=O)=O,BUEVSLXLXXDNNN-UHFFFAOYSA-N
-0616C3E2568F86D6_BF4327C310127D55_6041_UN,COC1=CC=C(C=C1)C2=NC(=NC=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,KOLQVDPZCCWBPJ-UHFFFAOYSA-N
-06254ED4E16F6E42_AB70941743E6E243_6036_UN,C(C1=NC(=C[NH]1)Br)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=NCCS3,MGVMCBXCHSPFLS-UHFFFAOYSA-N
-06EA98353DD0F963_8E17F7C28556FE4C_6038_UN,CC(=O)NC1=C(C=CC=N1)NC([C@@H]2N(C)C(CC2)=O)=O,GBVYFKBATGNNEG-SNVBAGLBSA-N
-075D0B70AF1BB9B9_DF0DB7B9BB7B619D_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)Cl)(=O)=O)C3=CC=NC=C3,MWQPEJKPIAMGLM-UHFFFAOYSA-N
-078C5EBC5C1CCF33_9235C085BC959333_6028_UN,CC[CH]=[C]1C[N](C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,PQZPXJYYRIUECQ-UHFFFAOYSA-N
-07B636CC7764A8C8_E454953999366A65_2875_DP,CN[C@H]1CC[C@H](CC1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,DWKJIDAPDUMKDQ-OKILXGFUSA-N
-087219D3BF797F88_BBD33E654D717D20_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=C[N]3CC=C)(=O)=O,FPEFWTWSMLPBHL-UHFFFAOYSA-N
-08A200AC793FDB3B_AF3B9FE226543B7C_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=CC(=C2)OC)OC)=O,SUYHSVXORJQSBU-UHFFFAOYSA-N
-08FDE46AC862330D_87099B831411905F_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=CC=NC=C3,LYKLUJQNDUXUBX-UHFFFAOYSA-N
-09CDF088455F9949_1B9DB2DFF74B6ACD_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CCC(OC)CC2)=O)C=CC=C3,XJHFHLSNRWWVMR-UWLZSVRSSA-N
-0A16E4FA6350DC07_F72FEF1526AB13B0_6029_UN,C1CC(CCN1[S](C2=C(F)C=C(C=C2)C#N)(=O)=O)C3=NC=CC=C3,OXHLOTCGRIDRBT-UHFFFAOYSA-N
-0A30253CB60D9E0E_F971F4CA1BDCEE42_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C([S](C)(=O)=O)C=CN=C4,WEZASDGYFXEYPZ-UHFFFAOYSA-N
-0AC7A97B068B5F42_6BA3BE12BDC49C90_6038_UN,CC1=[N](C=C(C=C1)OC(C2=NN(C(C)C)C(CC2)=O)=O)=O,WNYTZLNWHIMKNV-UHFFFAOYSA-N
-0B38A76B8B913B04_4578CBE46A61EF69_6038_UN,CC(C)C(NC(CC1OB(O)C2=C1C=CC=C2)=O)C3=NN=C[N]3C,VOPPQSGXLNPXDN-UHFFFAOYSA-N
-0BBDD5EB3A77C5C7_5237A0ED07CB1FB8_6006_UN,C1(=NC(=NC=N1)N2CCNCC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O,LTLWZACVKWKKMP-UHFFFAOYSA-N
-0C189B7C72293271_29B7C60F31074657_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,BKVIJUIPYUTIRY-UHFFFAOYSA-N
-0CA1A53FE273E9FF_025809151F1D2AAE_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3)C,MBQRQJPIDIVODI-UHFFFAOYSA-N
-0CCE9CBEFA1A2E60_E2E3691014674F20_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,CTYWTFBANHSGLD-UHFFFAOYSA-N
-0D0FC93CA9F3FA72_283141D322E2EEB8_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C)[NH]N=C2)=O)C=CC=C3,GZBCHTKHGMXZIG-NOZJJQNGSA-N
-0EAD109F43C812FA_66D2CDE12062BC26_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(SC)C=CC=C3)(=O)=O,DLJNAQCWSDFLEB-UHFFFAOYSA-N
-0EFD4238AAC0988D_89378D9907174ECA_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C(C(C)C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,MUGXDXSKCKNVGE-UHFFFAOYSA-N
-0FBF5B8CEC637632_73411BC6D0984082_6038_UN,N(C1=CC2=C(C=C1)[NH]N=C2)C(C(NO)CC3=CC=CC=C3)=O,HBQAVZCIGFHVTO-UHFFFAOYSA-N
-1059C544F851CCB1_8997E439D6CB8C6B_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,USRGCWGHPUATKA-UHFFFAOYSA-N
-1059C544F851CCB1_EC57C1B9C6850BD7_6027_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,USRGCWGHPUATKA-UHFFFAOYSA-N
-1059C544F851CCB1_EC57C1B9C6850BD7_7015_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,USRGCWGHPUATKA-UHFFFAOYSA-N
-12BCE0D84C6AF476_74A3780258CEEFD2_6029_UN,N(CCC1=CCCC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,HNHOPJTYWYWHFL-UHFFFAOYSA-N
-13CCE2B91D1798BB_66BE41FED91D109F_6041_UN,CC1=NC3=C(C(=C1)NC2C(OC(C)C2)=O)C=CC=C3C,ZMNMJBHCAKRDTB-UHFFFAOYSA-N
-1405A8D3F53E57FD_9A5A524D841497EF_6038_UN,N[S](=O)(=O)C1=CC(=CC=C1)OC(=O)C2=NNC(=O)CC2,ZCZGGQYBQSJLKO-UHFFFAOYSA-N
-140F1DA4025B672E_1889D8305F486ECF_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(N3CC(F)C3)C4,NYMQEYXYRJZQJX-UHFFFAOYSA-N
-141F8A3DCC3C73E2_D5BA84BBC6A2F46F_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CO)C=CC(=C3)Cl)(=O)=O,WSYAGDBCPICBGL-UHFFFAOYSA-N
-147E5671627C0E0B_E23C4B3E96B1B1D7_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C(C)C)C=CC=C2)CC3)F,KVAZWOMUCXSLSB-UHFFFAOYSA-N
-16E3ADBE83A8B87B_D88FB1347D17782B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(C(F)F)=O)C=C3)(=O)=O,ZXWCJINOYCPRHE-UHFFFAOYSA-N
-19E50C15AC3707C4_9C48856051E091E0_6038_DP,CN(C)C[C@@H](NC(C2NCC1=NN=C(C)[N]1C2)=O)C3=CC=CC=C3,VWXBXLJQQBJVMX-GICMACPYSA-N
-1B501634D2A5D08F_588EBD3340780819_6029_UN,ClC1=CC(=C(C=C1)N2CCN(CCC2)[S](C3=C([C@H](C)O)C=CC=C3)(=O)=O)Cl,HWNFBAGLMRJRFJ-AWEZNQCLSA-N
-1C1B719E1DEE5B96_CA5E53DB5EBE9A51_2875_UN,N2=N[N](CC1CCC=CCC1)C=C2C3=C(C(C)=O)C=CC=C3,WUCLAKQUQRHCEW-UHFFFAOYSA-N
-2330BDD40601A237_91711CF4A5B97365_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCC3=CN=C(C)C=C3,QCHPROHXFRYMIX-UHFFFAOYSA-N
-24CDA7ACC5BC8B20_80D943DD9222E556_6029_UN,CC(C)N(CCO)[S](C1=CC(=C(Cl)C=C1)OC2CC2)(=O)=O,MWDHISKLEYNLKZ-UHFFFAOYSA-N
-24ED87F4914F9264_6D93A83C847585D4_7015_UN,C1C=C(CN1[S](C2=CC=CC(=C2)CC)(=O)=O)C3=CC=CC=C3,KJJYMRQAQZUPLZ-UHFFFAOYSA-N
-24FA2D0FECD6B76E_1B39F6C5606D5517_6028_UN,C1CC(CCN1[S](C2=NC=C[N]2C3=CC=C(C=C3)Br)(=O)=O)C4=CSC=N4,GHQHGUTYISPUTN-UHFFFAOYSA-N
-2549E046CFFA0FB3_FF149C574EDF27DB_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(=C(SC)C=C3)F,UJTXHUJRHVHMIU-UHFFFAOYSA-N
-25A9F77C930FBB8D_5F0629AA8EDDB78F_6038_UN,CC1=C(C(=CC=C1)C)NC(C3C[C@H]2CC(OC)[C@H]2C3)=O,CSPMPUKBLDMLBA-LQULJDIASA-N
-25B9576A8B8BC630_3BE1BFF0C49EE99C_6004_UN,C1(=CC2=C(C=C1)NCCC2=O)C3=C(OC)C(=CC=C3)O,VEISMRCDZWVYAI-UHFFFAOYSA-N
-271DF8E60D0ABC3F_4B5BCF2B9AB77BB4_6038_UN,CN(C)CC1=CC(=CN=C1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,AGHYPTIFYVGNRK-UHFFFAOYSA-N
-2C10A2A018EA1F05_9770143D0A8B2DAB_6028_UN,C1CC(CCN1[S](C2=NC=C[N]2C3=CC=C(C=C3)Cl)(=O)=O)C4=CSC=N4,LHPJUDSLAAIQOC-UHFFFAOYSA-N
-2CC67C0D0F508A27_08E0329305BD1E79_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2(COC)CNC2)=O)C=CC=C3,BFYBPSYKWHJINU-DGCLKSJQSA-N
-2E36171EF83BC485_CD02FE286ED652EE_6035_DP,N3CCC(OC2=CC1=C(C(=CC(=O)O1)CC)C=C2)C=C3,XAFFWYFLAPNHPP-UHFFFAOYSA-N
-2EBF5C0983CFB817_2621FABC969B63DB_6038_DP,CC2CC(NC(C=CC1=C(OC)C=CC(=C1)C)=O)CN2,NBEVNIHVMXQLGA-UHFFFAOYSA-N
-2F687C0317B3BA9D_4E1FE3AFD5287F64_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(CCCC3=NC(=NO3)C(C)C)=O,SWXGVDDDCLZAMP-UHFFFAOYSA-N
-2F8DEB9FC11B25A9_D006A9230FD31AC5_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(OC)=O)C=C2)=O,HINNEHCTRYYFNN-SNVBAGLBSA-N
-2FA28FF2B5558E2C_D70907F0039D023E_6006_UN,OOC(=O)C1=CC(=CC=C1)C2=CC=C(C(OC)=O)C=C2,VHONZGRJOVYQEO-UHFFFAOYSA-N
-3107A26F04A94EF2_FBF275908DD0C09D_6029_UN,CCC(CC)N(O)[S](C1=CC2=C(C(=C1)F)CN(CC)CC2)(=O)=O,IFDCDIVTNWQXMC-UHFFFAOYSA-N
-3216C6124449DA70_BBBB58B50F757D69_6038_UN,C[C@@H](OC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CSC=C2,RELVRYKJAYRJTF-SNVBAGLBSA-N
-324088F8C3956829_9B83709B9A541425_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)Cl)(=O)=O)C3=CC=NC=C3,UNWSHVIIEPZJAJ-UHFFFAOYSA-N
-329E6B571C2067CB_112010CA6D782985_6027_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=C(CC)C=CC=C2)(=O)=O,MNARRRUBTSFGKE-UHFFFAOYSA-N
-34AF2C454E3CF672_4C5CB7AFB0E9E900_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C(NO)CC3=CC=CC=C3)=O,KDGIDFYSKPDZBS-UHFFFAOYSA-N
-35738D90286FF6B2_5DBC309DCE2377A5_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(N[S](C)(=O)=O)C=CC=C3)=O,VCSSEYHWBAKQOO-UHFFFAOYSA-N
-364150FF79FAB0CC_4698728B003F6E75_6028_UN,CC1[N+](CCN(C1)C2=CC=C(C=C2)N[S](C3=NN=C4[NH]C=N[N]34)(=O)=O)(C)C,UAWFRUMVKCTLSJ-UHFFFAOYSA-N
-3652953DE1AFE6AC_06D2034B5320A279_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)Cl)C4CC4)(=O)=O,RKJLZDLUALWZKG-IRJFHVNHSA-N
-370A6DBBBBC9C657_31DEAD99587DC4F7_6029_UN,N(C(CC1CC1)C2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,XWAWBKVONDCAME-UHFFFAOYSA-N
-3837E241FBB72D4D_CCDA0134EE404B7C_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NC(CC2=CC=CC=C2)C3CCCC3,XOVTWVACSNHKIG-UHFFFAOYSA-N
-3ABA6D932D1F257A_6D380AB872CE4C9E_6041_UN,C1(=CC=C(C=C1)[N]2C=NN=N2)NC3CCN(C)C4(C3)CC4,WJTVCZRTAVZYGG-UHFFFAOYSA-N
-3ACD2A254BDBA4C9_88AD75933D591EDC_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2NCCC(OC)C2)=O)C=CC=C3,WTYPVKREJPUZSP-CDMIUOQYSA-N
-3B386A00F1EA9D3D_35B901F795FCC449_6041_UN,O=[N](=O)C1=NN=C([NH]1)NCC(C2=CN=C(N(C)C)C=C2)(C)C,GDGXXDKJYPDSMK-UHFFFAOYSA-N
-3C2CBE7FAF1DA445_377D8D72FCBEBBAE_6038_UN,N(C1=CC=C(C=C1)C2=NN=N[N]2C3CC3)C(C4=CN=[S](C)(C=C4)=O)=O,RBHKPZWPPFCGIC-UHFFFAOYSA-N
-3E9A283E373C93E5_1A4130CCAB36F451_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3CN(C)CCC3,OTPALXMMBKCLQL-UHFFFAOYSA-N
-3F153C01C2CCF0A6_8A89F8B7E1E173A3_6009_UN,C1(=CCNCC1)C(CCC2=CC=C([S](Cl)(=O)=O)C=C2)C,VYUYVMXHBNDUQR-UHFFFAOYSA-N
-3F640E2CEEEEEEDE_CB3007F01564A2FB_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(SC)C=CC=C3C,WBYCUAFOCNXAMH-UHFFFAOYSA-N
-400E9356FCCE6887_FE6FCD917BB9F23C_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3=C([N](N=C3C)C)C,SOVUCFWKMLNBEW-UHFFFAOYSA-N
-4093086FF2817B28_B2379C68436CC282_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(NCCOCC)=O)C=C2,CKSJVAHHGMVCTG-UHFFFAOYSA-N
-40DA4FD57200640D_6CBD0D8BC3D9ADD6_6003_UN,CC(COC1=CC=C(C(CC)=O)C(=C1)Cl)N2CCNC2=O,LBVHKRJJUMHKII-UHFFFAOYSA-N
-43573C93994C3318_A3032EE83B05CF8E_2875_DP,N[C@@H]3CC[C@H](C[N]1N=NC(=C1)C(C2=CC=C(C)C=C2)=O)C3,JNUKGIUWHSJIBY-GXTWGEPZSA-N
-43789A87ABC89B22_654C7DFA0BBAE975_6035_DP,N2CC(OC1=C(COC)C=CC=C1)(C2)C3=CC=C(C=C3)Br,CDQKMPXHWIAHJQ-UHFFFAOYSA-N
-46BD6BE487D1DC30_FEC9088473EAC62A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C[NH]C=C2C3CC3,DNFOXYKEEHGULH-UHFFFAOYSA-N
-47CFFD58BB626550_E9B89C6FD8FF32E9_6038_UN,N(C(C1=NN=N[NH]1)C2=CC=CC=C2)C(C3(N(C)C)CCC3)=O,LRGNLFXKRGFCID-UHFFFAOYSA-N
-47D36D2619B8124F_574F87E5A4F5308C_6041_UN,CC(C)OC1=NC(=CC=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,HOVOCFDHXIZTNE-FGWVZKOKSA-N
-486950747A0C0789_3EE2EA6BDAD6C93E_6041_UN,CC1=NSC(=N1)NC2=CC(=C(C=C2)N3CCOC3=O)OC,SZHQKSAKWGYTHD-UHFFFAOYSA-N
-48DC739959DD3FF5_4426E129C5B59AF4_6003_UN,CC3=CN1C(=NCC(C1)OC2=C(C=CC=C2C)[N](=O)=O)C=C3,RWCJPUOWTSKFGT-UHFFFAOYSA-N
-48F7C33966009E50_E516F1AB9C73A095_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,NZQMWMUJCGWFKN-UHFFFAOYSA-N
-49717D1BB2983819_9F88FD639A816A7D_6029_UN,C1CC(CCN1[S](C2=C(C=CC(=C2)C(F)F)F)(=O)=O)C3=CC=NC=C3,WBPQPYVUMIJCQN-UHFFFAOYSA-N
-4A040449D8137FC3_CE5BF79D5487DC6B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(CCC(CC)=O)C=C3)(=O)=O,FAXUFRICRYSZSF-UHFFFAOYSA-N
-4B82C4A9535DD73D_01ECD1EADA8D28E9_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3C(C2=N[NH]C(=N2)C)C3)=O)C=CC=C4,YWHNALPNGXRQDR-QKBYSORXSA-N
-4BE58B47765B2B58_766E19A4ED19552E_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@@H](C3=C(SC)C=CC=C3)C,KCGQGSYPPXVWCR-CYBMUJFWSA-N
-4D7058B41E43CD22_5E25D0B752F7D84A_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C(C(C)C)[N]3C=NN=C3)=O,DLKMAEGKKQIHDG-UHFFFAOYSA-N
-4E112F198D07FD53_E9751B54CFC2F368_2875_UN,N2=N[N](CC1CCCO1)C=C2C3=C(C(C)=O)C=CC=C3,MQRTVRGBAOEGIO-UHFFFAOYSA-N
-4EE596A8E01BA4F6_AE383CF9A77AF7EE_7019_UN,COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC3=C(O)C=CC4=C3C=CC=C4,PYNHHUOYFGHHHW-UHFFFAOYSA-N
-4F79268CC2281393_3696A40D619A6D33_6029_UN,BrCC1CCN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,VIFTVPCUDKERCU-UHFFFAOYSA-N
-4F860875218403AD_48D4A53C3FB4D3DA_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@H]3CCN(C(CC)=O)C3,BOKLOQIDHHLFQB-NSHDSACASA-N
-501B0058066EEA5C_72DDAF2452F4267C_6029_UN,N(C1CC(C1)C=C)[S](C3=CC=C(OC2=CC=C([S](Cl)(=O)=O)C=C2)C=C3)(=O)=O,LPYPHWQCMZVLQH-UHFFFAOYSA-N
-505F529EA2534911_512A6E74F8B27EC6_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(=C(CC)C=C3)C,KTYCLCMLXZMBFD-UHFFFAOYSA-N
-51D0607B461C2B0D_F60457906D8C3E2C_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=CC(=C2)C(OC)=O)=O,KYPCCVYRQHEGAP-UHFFFAOYSA-N
-52B5580A9ED131D0_B9411F5A0BE6DD15_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NN=C(C)C=C2)=O)C=CC=C3,JIHBLYBQJCJHSI-BXUZGUMPSA-N
-52E6CEEB45FCD240_C47C3E2B5E8C3EA3_6041_UN,C1(=CC=C(C=C1)C2CCCC2=O)N[C@H]3[C@H](COC)CC3,VXENJLPGCRKBOD-ZNZOUBGRSA-N
-53CBFCF6C6A1D9B2_94725636B8EFF6EA_6038_UN,N[S](=O)(=O)C1=C(C=CC=C1)OC(=O)C2=NNC(=O)CC2,QINAJCQABDVVNI-UHFFFAOYSA-N
-5450D32059EEBDF8_F9700E4575B4365E_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N5CCC3=C(C4=C([N]3C)C(=C(C=C4)Cl)F)C5,GJCSFAFMFQNZCU-UHFFFAOYSA-N
-555D16E342815C05_E8CAD57A2851B88B_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC([C@H]2C[C@@H](OC)CN2)=O)C=CC=C3,CDGDVRMDLYNJLM-HBJVGIJOSA-N
-5630DD4344622828_90D3061000102EDF_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C(CC)[N]2C=NC(=N2)C#N)=O,WWDSENHJJBLIFA-UHFFFAOYSA-N
-568056F03E1FFCE4_38EF44970D512567_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCC([N]3C=C(C)C=N3)CC4,MCWTZQYTNRPEPR-UHFFFAOYSA-N
-580DFB1AB566A4D1_271B6F5FBBB6DE7C_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C(C3CC[Si](C)(C)C3)=O,PXMKVJMSOAMQIK-UHFFFAOYSA-N
-581F9256D18709F0_845115BB36F12848_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C(C)=O)C=C2Cl)C=C3,DPHNHWPTGCGCQF-UHFFFAOYSA-N
-58EEF3B7A2BB72AD_E1D8C069A872D74A_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3C[C@@H](OC)[C@H](C3)OC,JZUOIDIFTVJOIK-MYFMFCSTSA-N
-5953C038FF2C6B78_899CF0C3415CBFD7_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3CN(C3)C4=NC=CC=C4,KULZBLUEHBNEDH-UHFFFAOYSA-N
-5A1BED0B8F36160B_81FBF0BC8F471057_6041_UN,CC(C)[N]1C(=NN=C1C2=CC=CC=C2)NC3CN(C)C4(C3)CCC4,GIGZNLGGRGHCGD-UHFFFAOYSA-N
-5A8F3F34F77C2043_AEF1B3CCFBDFE228_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C[N](C[Si](C)(C)C)N=C3,UGYVMXUJDBAUCX-UHFFFAOYSA-N
-5AFB1D6CC67F021C_6D8548AA07F92A60_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C3=CC2=C(CCN(C)C2)C=C3F,VMTQZFSSCXOIIU-UHFFFAOYSA-N
-5AFEBE3AE19D1A53_37B6F12B4EAC8B90_6029_UN,C1N(CCC(C1)OC2=CC=CC=C2)[S](C3=C(CO)C(=C(C=C3)Cl)F)(=O)=O,OWLVXMUVSJSCGS-UHFFFAOYSA-N
-5CA780A075DC57B4_FEE22AF8B3E29BC9_6034_UN,C1CCC2=C(C1)N(C3=C2C=CC=N3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,NCJPBEQRYQAFHW-UHFFFAOYSA-N
-5CE3FD52379489D1_1E433CEA1DE2CCDF_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(=O)CCC2=NC(=NO2)C3=COC=C3,YERPUZQLYOUMOK-UHFFFAOYSA-N
-5E087729186799EE_BED03EB2551BBE95_6029_UN,C1CN(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,NRBXJYWSCOXFTM-UHFFFAOYSA-N
-5EE60BE87336D503_0845DF1FBD3AB75E_6029_UN,C1CN(CCN1[S](C2=C(Cl)C=C(N=C2)C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,JYVRTMKTFIKTPW-UHFFFAOYSA-N
-60152AB126489D5E_A2698FD4A7469177_6029_UN,CC(C)[N]1N=NC(=C1)C2=CCCN(CC2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,LTTIDIATRCCBHK-UHFFFAOYSA-N
-624132E151BCB33F_AE8C0018F4151AB8_2875_UN,O[C@H]1CCC[C@@H]1[N]2N=NC(=C2)C(C3=CC=C(Cl)C=C3)=O,RMJXXDVXRJSDJD-STQMWFEESA-N
-6546188A233EBF04_615BBC82C8A67065_6038_UN,CC(=O)NC1=C(C=CC=N1)NC([C@H]2N(C)C(CC2)=O)=O,GBVYFKBATGNNEG-JTQLQIEISA-N
-65CA7D9651C9EC28_FCB33EFFF0920518_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C2=CC(=NC3=C2C(=NO3)C(C)C)C4=CC=CO4)=O,OIRKHNCAHZKUNL-UHFFFAOYSA-N
-66C85E0340A0A075_002EBD61B3222C91_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O)C=CC=C5,OLGZVLCRKJNDJL-UHFFFAOYSA-N
-67014C45466A95F7_E4935D8BB0D20DF1_6035_UN,O(C1CN(C1)C2=NC(=CC=C2)Cl)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,ZBTZMULOMPQBMO-UHFFFAOYSA-N
-671AC8493F033D09_EDD1F35B7E096A92_6038_UN,N(CC1=NC(=N[NH]1)C2=NC=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,UKVSEXNRZSEZRV-UHFFFAOYSA-N
-6751EB3206BA5EB1_2F9127F30C3933D0_6029_UN,C1CN(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CN=CC=C4,YZPZOJGZMGIXMI-UHFFFAOYSA-N
-67D6F909EB7279E0_7422DB4CFF1E7BFA_6036_UN,CC(C1=CC=C(C=C1)B(O)O)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=NN=N[NH]3,DBDAHNMSTGHWTQ-UHFFFAOYSA-N
-67E565F416C8AE93_F1969D0FB0615333_6038_UN,O(C1=CC=CC=CC1=O)C(CC2=CC=CC(=C2)COC)=O,KEFDGEZYLRCMML-UHFFFAOYSA-N
-6810236917278B05_26B52979DA58ACDB_6029_UN,C1CC(CCN1[S](C3=CC2=C(N=C(C)C=C2Cl)C=C3)(=O)=O)C4=NC=CC=C4,MZYQWBSJKDPKEC-UHFFFAOYSA-N
-68E9E96869EBC0A2_204CEC2574A65BF8_6041_UN,OOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(OC)C=C2)C=CC=C3,DNVVHSJAZJTFJS-UHFFFAOYSA-N
-6A99CE3EAFFEB23F_8B1772C4872893CA_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=CC(=C2)Br)C=C3,VLUKGMJTHYOAIE-UHFFFAOYSA-N
-6A9BD16C6D704798_68E54878A0CAC365_6029_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,KETKBCOFSKJNKU-UHFFFAOYSA-N
-6B2DFC4E4645D11D_1A255E2EDE2A3EAA_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C(C(C)C)[N]3C=NN=C3)=O,ZJTCBACMAZEICH-UHFFFAOYSA-N
-6BC81258E2532AEA_C555EC2BB8451DDA_6041_UN,CC(C)C1=NN=C([NH]1)N[C@@H]2COC3=C(N(C)C2=O)C=CC=C3,WDQUNUXWPDISST-SNVBAGLBSA-N
-6BF7E807F9B18413_E51D48697489F416_6038_UN,N[S](=O)(=O)C1=CC=C(C=C1)OC(=O)C2=NNC(=O)CC2,FDGQUWVFFPXBOI-UHFFFAOYSA-N
-6C299DEE999A4C6E_28D94761BC0C9DC3_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=C(C=C2)Cl)[N]3C4=CC=CC=C4)(=O)=O,JYWLQGCTXDMJDN-UHFFFAOYSA-N
-6CC1B519FF1F27D6_D49328A701BE60FD_6035_UN,O(CC1CC2C(C1)C2(F)F)C3=C(C[S](C)(=O)=O)C=CC=C3,DOJCKPLTDWZIHZ-UHFFFAOYSA-N
-6CD91570D89B23B0_2D35F0F4A8724318_7022_UN,C1(=C(C=C(C=C1)C2=CC=CC=C2)F)NC3C[C@@H](OC)[C@H](C3)OC,BBOAIXXQUVGDFC-QNBRMCRTSA-N
-6D04361CC27D9FD6_31CC89246339A0AE_6029_UN,CCC=C1CN(C1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O,UBLUEUCIGOADKG-UHFFFAOYSA-N
-6D4FD471414BEAC5_F799B0441B213AD3_6035_UN,O(C(C1CCC1)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)[S](C)(=O)=O,LTAPTSZFAZWLJO-UHFFFAOYSA-N
-6DED850F4999FD8B_2B16C365BB06FC65_6027_UN,FC1CN(C1)C2CN(C2)[S](C3=C(CC)C=CC=C3)(=O)=O,RFKPGUOGSNTAKJ-UHFFFAOYSA-N
-6DED850F4999FD8B_2B16C365BB06FC65_7015_UN,FC1CN(C1)C2CN(C2)[S](C3=C(CC)C=CC=C3)(=O)=O,RFKPGUOGSNTAKJ-UHFFFAOYSA-N
-6DED850F4999FD8B_4ED6E6E5AB487BD9_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=C(CC)C=CC=C3)(=O)=O,RFKPGUOGSNTAKJ-UHFFFAOYSA-N
-6E9B6994CE68036F_5315538E08C9EA13_2875_UN,CN3CCN(CC[N]1N=NC(=C1)C2=CC=CC(=C2)[S](C)(=O)=O)CC3,PKCKSOPVPNPGOT-UHFFFAOYSA-N
-6EB69E6F4B1833CA_4B01014F1D83B29D_6041_UN,C[N]1C=NN=C1NC(C)C2=CC=C(C=C2)N3CCCOC3=O,IWTVXLNJGGBYDT-UHFFFAOYSA-N
-70B182BCAD31E611_B66DF9CB255F94BD_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(C=CC=C2)OCC#C)(=O)=O,XIKWCMSSZJEAKR-UHFFFAOYSA-N
-713367FF9B06D4C0_53AAEC1E8605E22C_6029_UN,ON(CC(=O)O)[S](C1=CC=CC(=C1OC2CC2)F)(=O)=O,GOQQNAUNONDTAB-UHFFFAOYSA-N
-7243208642EB1F40_7D723612A071E62D_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)F)(=O)=O)C3=CSC=C3,TWEUXYZXUWHANN-UHFFFAOYSA-N
-725F489DE1141097_83389364D93C907D_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC3C4=C(OCC3OC)C=CC=C4,DIQRTLXYFJLAAR-UHFFFAOYSA-N
-736FE12F591CE5C4_27B5121B3969CDE3_6035_UN,O([C@H](C1CCCC1)C2=CC(=CC=C2)F)C3=C(C[S](C)(=O)=O)C=CC=C3,AXXROBHNLWCKSO-HXUWFJFHSA-N
-742209EE40CB7709_F00F3E452EB1F580_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(N3CCNCC3)C4=CC=C(C=C4)F,PZFBCSAWBFTJLS-UHFFFAOYSA-N
-74851C40C37912BC_1E7AA3CE1B74B43F_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,DMLYLZNLQDTNBB-UHFFFAOYSA-N
-74D0807BAB2A27FC_0D89F82429A40159_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=C(C)C=C(C=C2)Cl)CC3,ARNGBRSLLZISSD-UHFFFAOYSA-N
-750FC1C648F00E7F_5963F61AD5DB6C40_6003_UN,CC3=CN1C(=NCC(C1)OC2=CC=C(C(C)=O)C=C2F)C=C3,JSQFFDXMCPNCPJ-UHFFFAOYSA-N
-758090C2F7BB2C6A_B615D98F0C4BF94D_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)F)(=O)=O)C3=CC=NC=C3,IOKDVWOQMQWDAB-UHFFFAOYSA-N
-7585F2B1B59F2062_F099510C2C2643D7_2875_UN,CC1=CC2=C(C=C1)CCC[C@H]2[N]3N=NC(=C3)C4=C(C(C)=O)C=CC=C4,BWHXVCJBRFRRFE-OAQYLSRUSA-N
-76154246A634D493_D19ABC5DF2DD99CF_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,PUUGEIKBMOSKTI-UHFFFAOYSA-N
-7809A68EAB60ABE1_4C6E741EB82B8F3F_6028_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)Br)(=O)=O)C3=CSC=C3,PHRMXXPVCCKVOZ-UHFFFAOYSA-N
-799AB47414F5D34D_A30863C1723CB005_6028_UN,C[N]1C(=CC=N1)C2=CCN(C2)[S](C3=NN=C(C)[N]3C4=CC(=CC=C4)C)(=O)=O,SEUWKRMAJMNUOO-UHFFFAOYSA-N
-7A0F0F34033FD768_C86B3583CBCFB419_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC([C@@H]2C[C@@H](OC)CN2)=O)C=CC=C3,CDGDVRMDLYNJLM-OXHZDVMGSA-N
-7D63C81BAF568451_6AFB6232B62EC8B5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C=COC2=CC=C(OC)C=C2)=O,JZKNSXIEHCYSNR-LBPRGKRZSA-N
-7D6D9E135DDD6D33_06E469C3CE23C14F_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3CN(C)C4(C3)CCC4,FUUCVDUEZRDUKB-UHFFFAOYSA-N
-7EE49BBF5CE1EF4F_B0F47491C0C37AA6_6029_UN,CC1CN(CCN1[S](C2=CN=C(Cl)C=C2I)(=O)=O)C3=NC(=CC=C3)C,OPYDWFUYDRMMNF-UHFFFAOYSA-N
-7F19CB6FE949F17D_5EF6E56CA276EF10_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CN(C(OC)=O)C3,UMUALSMVIQOKCQ-UHFFFAOYSA-N
-80BD06EB76BDB37A_41BA419C0EE2EEEF_6038_UN,CN(C)C2=NN=C(CNC(C(C)CC1=C(C=CC=C1)C)=O)[NH]2,DMGFYDDBJJMBAJ-UHFFFAOYSA-N
-815912D4989FC096_92BFE168D19E93AB_6041_UN,OOC(=O)C1=CC(=CC=C1)NCC2=CC=C(OC)C=C2,KPVIGSCZVFKYKT-UHFFFAOYSA-N
-81B25DF97BC13190_35C418494E39B9D8_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O)C,VDSBKBYETQNXAY-UHFFFAOYSA-N
-8270113CC9E881FB_F1D8BBC4388B24F3_6041_UN,C1(=CC=C(C=C1)C(=O)C2=CSC=C2)N[C@@H]3[C@H](OC)COC3,OPFSVWMYCLJVSI-LSDHHAIUSA-N
-8618A2E697966B8D_4E4F77F506950276_6029_UN,CC1=CCCN(C1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,DUESPWDJXXBDPK-UHFFFAOYSA-N
-87BCA250A39C9CC0_2D6996F3E0839605_6029_UN,CC1C(CC1N[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,UPUSCXHEMOARPB-UHFFFAOYSA-N
-87F4AF9A84B484A8_C2CBA14EEE5F1FE4_6038_DP,CC2CCC(NC(C=CC1=CC=C(SC)C=C1)=O)CN2,CYRHSJGGBZKDCX-UHFFFAOYSA-N
-8831AAD5EE802B1F_A20BC7961EFEF0EE_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCCCC4,CPAUZLIERVQHTG-UHFFFAOYSA-N
-8866A9B8702BF149_333C0265306E0CE2_6041_UN,CC(C)C(=O)C1=CC=C(C=C1)N[C@H]2[C@H](OC)CCOC2,MORFLWZNNXAABM-HUUCEWRRSA-N
-8866A9B8702BF149_B799A5E884B204BC_6041_UN,CC(C)C(=O)C1=CC=C(C=C1)N[C@H]2[C@H](OC)CCOC2,MORFLWZNNXAABM-HUUCEWRRSA-N
-891FCF177E68ECE2_17F7E9381915E2D9_7022_UN,C1(=CSC=C1Br)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,AXXCFMBTOJVCBI-UHFFFAOYSA-N
-8A12DC9BD25C216E_D65D758DBF2EF302_6038_UN,CN(C(=O)C)C1=C(C=CC=C1)NC(=O)C2=NNC(=O)CC2,KCGLEAZNPALOCK-UHFFFAOYSA-N
-8A4953AD8AB84B57_A3A272212664F6E9_6041_UN,CC1=C(C=NC(=C1)C2CC2)NC3=CC=CC4=C3C(C)OC4=O,GRDQBJLAHORWDJ-UHFFFAOYSA-N
-8AF6E4F28A771319_3D01B57BAE6227EE_6029_UN,CC1=CC(=CC=C1)N2CCN(CC2)[S](C3=C(CO)C(=C(C=C3)Cl)F)(=O)=O,YBBYUFISLKTZIU-UHFFFAOYSA-N
-8C8FBB7D95BFA2DE_A4A4929703EB7580_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C=CC2=CC=C(OC)C=C2)=O,WBPFIWDWOSGAHP-GFCCVEGCSA-N
-8D9D46EC0E0A1E39_3A70B4B119250AF9_2875_UN,O[C@@H]1CCC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,URJXGPAJFWQVMG-HUUCEWRRSA-N
-8DF012E1C0672788_49659F4EDD29B055_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=NC=C(O)C=C2)=O)C=CC=C3,PCMOVVDZVQRERS-QMTHXVAHSA-N
-8E21559F9D06EEFF_6AC82EF74A37C6C6_6035_UN,CC(COC1=C(C(CC)=O)C=CC=C1Cl)N2CCNC2=O,ZQFZCRFDXUZDSD-UHFFFAOYSA-N
-8E74D7C8ED305D16_306560D2DE3F3F07_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=CC(=C2)Cl)C=C3,JWYDZRQSEAPFJX-UHFFFAOYSA-N
-8F98F6DEC1CA7148_F5DA87C12ED5B536_6029_UN,C1CC(CCN1[S](C2=C(N=C(Cl)C=C2)C#N)(=O)=O)C3=CC=CC=C3,JBRVODNDHNMWKX-UHFFFAOYSA-N
-8FFC453C10E44D1B_2A7E93FA6BEB81CE_6035_UN,O(C1CN(C1)C2=NC=C(C=C2)Br)C3=C(N)C=C(C=C3)[S](=O)(=O)O,ULFUKRNNELRHQL-UHFFFAOYSA-N
-9066246D43A7FA32_02F5D1B05BA54017_7019_UN,COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC4=C(O)C=C3C=CC=CC3=C4,IWUYPVYIXVGOJU-UHFFFAOYSA-N
-90873B8702AED616_E00BFEA442BE0343_6029_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(CO)C=CC(=C3)F)(=O)=O,IEXGVNGQEMJZGY-UHFFFAOYSA-N
-91D815C42B5FE66E_008FBBA348AC0774_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)F,ZWIRSJOYQQWQIC-UHFFFAOYSA-N
-923298BC451214C4_3383668998484282_6029_UN,CC(C)C1CCN(CC1)[S](C2=CC=C(CCC)C=C2)(=O)=O,MNUXRVAHDZJDBG-UHFFFAOYSA-N
-92648BEBE9AB355B_44C5292547F9C21C_6028_UN,C1CC(CCN1[S](C2=N[N](C(=N2)C3CC3)C4=CC=CC=C4)(=O)=O)C5=CSC=N5,JQXBUBYKJXHGRV-UHFFFAOYSA-N
-92C4F36522832C4B_A8CFC4EF29789059_6041_UN,C1(=CC=C(C=C1)N2CC(=O)OC(=O)C2)NC3=C(C)C=CC4=C3C=CC=N4,VADHSUCEZRTFBO-UHFFFAOYSA-N
-9543ED434F2E2F76_6A3AB46FE3B50C28_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3=NC(=CC=C3)C4=CC(=O)CCC4,KYLCIWNHZQNLFP-UHFFFAOYSA-N
-9628FBFE225E6DA4_591D41F8B8398A4C_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C)N=NC=C2)=O)C=CC=C3,BURQKKYYWBTQMW-QMTHXVAHSA-N
-96775349FA6D44AC_2C4DF9F7FC6E1DCF_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CN=CN(C)C3=O)=O,OGMAVVXHHKAYLG-UHFFFAOYSA-N
-98AFB554088AF7DA_D2F41D65D63977F5_6041_UN,CC(C)CC1=CC(=CC=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,UZYIBCFMPMLUCS-GOOCMWNKSA-N
-98C5B6328B1E2208_5A915778E21E1214_6041_UN,CC1=C(C=C(C=C1)NC2C3=C(OCC2OC)C=CC=C3)C,AHKJTRZZZBFQSL-UHFFFAOYSA-N
-9C2AB959D04FEA3C_E4BE18B6484B2881_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NN=CC(=C2)C)=O)C=CC=C3,HZUVCRPLBYOJRB-DGCLKSJQSA-N
-9C7F7D3A1BD4C4A5_49F86BAB16B16F56_6038_UN,CC1=NC=NC(=C1)N2CCC(CC2)NC(=O)C3=C[N](=CC=C3)=O,SKSBLFJTMARRHE-UHFFFAOYSA-N
-9C999518B3381594_6CAB3A438F9685A8_6041_UN,O=[N](=O)C1=CN=C([NH]1)NCC(C2=CN=C(N(C)C)C=C2)(C)C,VTPSGAIOCQPUCN-UHFFFAOYSA-N
-9D4152AF394A444C_1CF8914D55FD3900_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,AXFHXDHTRPQISC-UHFFFAOYSA-N
-9F1941B1B7C77908_25C2312E22C0F1D6_6041_UN,CC(C)C(=O)C1=C(C=CC=C1)N[C@H]2[C@H](OC)CCOC2,DGBAESAIEDBCJD-HUUCEWRRSA-N
-9F1941B1B7C77908_F648975DA31085E8_6041_UN,CC(C)C(=O)C1=C(C=CC=C1)N[C@H]2[C@H](OC)CCOC2,DGBAESAIEDBCJD-HUUCEWRRSA-N
-9F4AE04DD49B28F8_C9B6BD4AED174AB1_6026_UN,C[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N(C3=CC=CC(=C3)Br)C4CCCCC4,WDBMBUBJXNYQKY-UHFFFAOYSA-N
-9F5DB679F555C1A5_FCDD90AE17677B9A_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O,ZSJNJESZXIXZQP-UHFFFAOYSA-N
-9F970B55E5FA630D_9246E1F16B9A0459_2875_UN,CC(C)C(=O)NCC[N]1N=NC(=C1)C2=CC=C(N(C)C)C=C2,FGLLBUIKRLUDEF-UHFFFAOYSA-N
-A035E8490DA4592C_6B9990F6EEC4CE89_7022_UN,C1(=CC(=CS1)Br)OC3=CC=C(C(N2CCN([S](C)(=O)=O)CC2)=O)C=C3,QUDMXTKEWHYFDB-UHFFFAOYSA-N
-A110DBAE368A4529_D8F9CCA58E2F32B2_6041_UN,OC(=O)C1=C(N=C2SC=C[N]12)NC3=CC(=C(C=C3)F)N4CCOC4=O,BBBFMRNUNGNGPR-UHFFFAOYSA-N
-A1D9F9644E0B3ADD_07FC82A916B80BB5_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Br,KBJSMJCUIXIJBU-UHFFFAOYSA-N
-A1F841336F85F95C_65D59B73742E68C7_6038_DP,N3C[C@@H](NC(C2=C[N](C1=CC=C(OC)C=C1)N=N2)=O)CO3,HQHKKZHECBDHOY-SECBINFHSA-N
-A3AC9734BB8572BE_6E819471E94C385C_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=CC(=C2)OC)C)=O,SEXRVXSPODQTCJ-LLVKDONJSA-N
-A4310F7CF605200F_4C2CE926B3FE0237_6029_UN,C1CC(CCN1[S](C2=CN=C(C(C)C)C=C2)(=O)=O)C3=CSC=C3,WOGNSRWESCJHNT-UHFFFAOYSA-N
-A5A8ADB33204C2C9_DC6D35459D4C5851_6038_UN,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC(C3(C)COC(=O)OC3)=O,VYTMPBJLPWTBQR-UHFFFAOYSA-N
-A67A5F8E0386E207_8F18CE72F5FE8EC7_6029_UN,CCCOC(=O)C1=NN(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,JTMNXHOFEAOHKV-UHFFFAOYSA-N
-A6910AD0DDE4641E_ECF4ED519EA7A118_6029_UN,CC1CN(CCN1[S](C3=CC(=C2OCOC2=C3)Cl)(=O)=O)C4=NC=NC(=C4)N(C)C,LVRIQNXIEWUYHZ-UHFFFAOYSA-N
-A73061B56C49EABC_3E0C134F51472E89_6041_DP,CN(C)C1=C(C=CC=C1)NC2=C([N](N=C2C)C)C3CNC3,VAQDOUZQTCHDAX-UHFFFAOYSA-N
-A7818040191351A6_381D433652755A6E_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CCN(C2=C(C=CC(=C2)C)C)CC3)I,FDPVBAZOOPYWJD-UHFFFAOYSA-N
-A782201B8F92B9C4_3119292DC1AAB1B8_6005_UN,OC1=C(C=C(C=C1)C2=C(C=CC(=C2)OC)C)C3=CC=CC=C3,HEVRNEYQIOOMGX-UHFFFAOYSA-N
-A7C98E964EC0BFE6_E552E52AC42D4194_6041_DP,COC(=O)C2=C1C(=CC=CC1=CC=C2)NC3=C(CO)C=CC=C3,DBMSTBXCMSXFEN-UHFFFAOYSA-N
-AA262D151D75B1D4_58C269DD77636B8D_6035_UN,CC(COC1=C(C(CC)=O)C=CC(=C1)C)N2CCNC2=O,TZOWFBCIEUGECY-UHFFFAOYSA-N
-AB8FAF02BEB409BA_ED599A08F8A56E7B_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=C(SC)C=CC=C3)(=O)=O,QPOXUOWJFULRFJ-UHFFFAOYSA-N
-AC79047140B5C3F0_6EA53E3DFEDC464A_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC([C@H]2N(C(C)C)C(CC2)=O)=O)C=CC=C3,SVVCNHDRUDRWOC-YUELXQCFSA-N
-ACB565C8ADB14B55_BA0ED6DB26AC30AD_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(COC)CC2)=O)C=CC=C3,MCZOBMUULZOEQO-DGCLKSJQSA-N
-AD850AC604069BFD_BE85119955B21A8D_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(CC2(OC)CNC2)=O)C=CC=C3,BMVPJNLZJCRUDM-DGCLKSJQSA-N
-ADEDF923005F388F_534341F29BD49299_7022_UN,COC(=O)C1=C(C=CC=C1)N[C@H]2[C@@H](OC)C3=C(C2)C=CC=C3,NRKVYHBJCHLCKG-SJORKVTESA-N
-ADEDF923005F388F_B3E61481ECBB8FF4_6041_UN,COC(=O)C1=C(C=CC=C1)N[C@H]2[C@@H](OC)C3=C(C2)C=CC=C3,NRKVYHBJCHLCKG-SJORKVTESA-N
-AFAEBDE13C10DBC9_F8110C2521DB7AA8_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C3=N[N](CC)C=C3)(=O)=O,ZECKPXVJKQDVEI-UHFFFAOYSA-N
-AFB4966CA7B2136E_8E3CEE0C62DFB69A_6029_UN,N(CCC1=CCCCC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,GFDUEMLOXZVBBF-UHFFFAOYSA-N
-B02546A4FAF8D10C_03C5074E7633557D_6041_UN,C[N]1C(=NC=C1[N](=O)=O)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,RUDFHGKGJZJMPQ-UHFFFAOYSA-N
-B05C7A5920833669_F6AEC1D4C68D44A4_6034_UN,O=C1N(C=NC2=C1C=N[N]2C3CC3)CC5=CC4=C(N(C)C(=O)O4)C=C5,XJUWYBCDCJKTAX-UHFFFAOYSA-N
-B0846746B86073FF_163C4FC1063FF5D1_6038_UN,CC1=N[N](N=N1)CCNC(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,JGNPYJDZVVJAQX-UHFFFAOYSA-N
-B0AB9A2AFE29D3CD_1743BB75614B9C62_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=C(O2)C4COC3=C(C=CC=C3)O4)(=O)=O,APQUHBSXJKRUKN-UHFFFAOYSA-N
-B19FB070A61B45F1_31370D993FCBE00C_6029_UN,C#CCN(C1CC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,WTUTZHUQCIREPJ-UHFFFAOYSA-N
-B23AF6366BEECC1F_A837B650FF40E289_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5CC[N]4N=NN=C4CC5,CQOFKNPGJYSRJU-UHFFFAOYSA-N
-B2621F4A56879FA1_7F96A0CDAED7F4CC_6041_UN,C1(=CC=C(C=C1)CC2CCCC2=O)N[C@H]3[C@H](OC)CCOC3,RQGDOTJXUBUJRP-NBSGVIAVSA-N
-B2A8F9231D78A19F_5911147B1D695592_6038_UN,COCC(NC(C1=C(OCC(N(C)C)=O)C=CC=C1)=O)C2=NN=N[NH]2,NHYMYFLAQLJDKO-UHFFFAOYSA-N
-B45F81F2BA5A744C_0BB1B45581ECF9DA_6038_UN,CC1(C)CN(C1=O)C2=CC(=CC=C2)NC([C@H]3N(C)C(CC3)=O)=O,JHOBIHOVBUCCCB-ZDUSSCGKSA-N
-B54E1B4FA0145FC4_AA8A6DB92947242C_6038_UN,O(C1=CC(=CC=C1)OC2CC2)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,ZJWKRNSDYZEIQW-UHFFFAOYSA-N
-B61283628A3214F9_45093A5DA6C06292_6041_UN,C[N]1N=NN=C1NC(C)C2=CC=C(C=C2)N3CCCOC3=O,WRXUXVPYUNADBW-UHFFFAOYSA-N
-B7BF2812BD51F094_CC6F2978B00D8684_6041_UN,COC1=CC(=CC=C1)C2=NN=C(C=C2)NC3=CCOC3=O,YDJNYLWOKPJHHW-UHFFFAOYSA-N
-B7D14B73BFF08891_FC26696A79D532DB_6038_UN,CC3=C[N]1C(=NN=C1CNC(C2(C(N(C)C)=O)CC2)=O)C=C3,ARSSNLRPLYMHFJ-UHFFFAOYSA-N
-B9FA038393B662F4_07CB67CEF2DA3451_6041_UN,O[S](=O)C1=C(C=CC=N1)NC3CCN(C2=N[N](C)C=C2)C3=O,AHUYORSBCHTGTI-UHFFFAOYSA-N
-BA052D31428DFF7A_242D5EB5420E0ECE_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)N(C2=CC(=C(Cl)C=C2)Cl)C3CCCC3,UVTQRHPURRWWEJ-UHFFFAOYSA-N
-BA4B27140C4901AA_AC8984D264F62675_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4CCNCC4,KLEPNRUNMQEURM-UHFFFAOYSA-N
-BA8E7626A3E09600_5B5C2DADB81341C3_6028_UN,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C3=NN=C[N]3C4=C(C)C=CC=C4)(=O)=O,HVSVKVSYJKYNIQ-UHFFFAOYSA-N
-BC5CBF44BEC27AC9_786D3CBAD634B017_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)NC4C3=CC=CC(=C3OCC4)C,KTJIAWLUIIXSDN-UHFFFAOYSA-N
-BCD0CF846B4BB429_0801C909DC09F863_6026_UN,CC(C)C1=CC(=CC=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,FIHNBHZWXBSWDY-UHFFFAOYSA-N
-BD02E133813FD596_9A3215EDC4954E3E_6041_UN,CC1=C(C(=CC=C1)C)NC2C3=C(OCC2OC)C=CC=C3,MXDHLYIMDRIVPY-UHFFFAOYSA-N
-BD02E133813FD596_AF4E975227045EF7_7022_UN,CC1=C(C(=CC=C1)C)NC2C3=C(OCC2OC)C=CC=C3,MXDHLYIMDRIVPY-UHFFFAOYSA-N
-BDA200E82980363A_1FBDD2FB6CD0F794_7022_DP,COCOC1=C(C2=C(C=C1)C=CC=C2)NC3(CNC3)C,UHFWZTWAWLLPLB-UHFFFAOYSA-N
-BE0139B0AC9F03D1_AF4F7BF708032A6D_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O,FJGZXJOUKOQUIT-UHFFFAOYSA-N
-C031C1F61A3D79C2_9991F5540D94141B_6003_UN,O(C1=C(Br)CCC1=O)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,CXBOKGNVQRKIDW-UHFFFAOYSA-N
-C0AE18B44C3E76E4_41B8E36FABDB720A_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OCC3)OC)[S](=O)(=O)C,HLIDNLVECIUVDI-UHFFFAOYSA-N
-C28E96B9BC235480_0C6DBD38480319D8_6041_UN,OC(=O)CC1=CSC(=C1)NC2=C[N](N=C2)CCN3CCOC3=O,NCTKUNIJEXXPID-UHFFFAOYSA-N
-C4200E096F84E07E_951858ADDCF961CD_6004_UN,COC2=C1C(CCC1=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)=O,DNABSJOFHHFSOB-UHFFFAOYSA-N
-C4637B3ACAA61DE3_75FEB398475262FE_6041_UN,COC1=C(C=CC=C1)C2=NC(=NC=C2)NC3=CCOC3=O,VQLZXLDFGAMAFF-UHFFFAOYSA-N
-C4B70E13BB489BC2_FF08F9478D8474D4_6034_UN,CC1NCC(=O)N(C1=O)CC2=CC(=C(OC)C=C2)OC,JJUPQFRLUBDACA-UHFFFAOYSA-N
-C4F6E92586AE6A7B_D1BEB499E64E105D_6029_UN,CN1CN(CC1=O)[S](C2=CN=C(C#C[Si](C)(C)C)C=C2)(=O)=O,NKGHUSMRPJXVRV-UHFFFAOYSA-N
-C54BA977C5622B7D_B2902A437B5E00D0_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CCCN(C3=CC=C(C)C=C3)CC4)I,HGIGAOFAMASUSW-UHFFFAOYSA-N
-C7C8F22B00663BCA_32E746C68E3A99A1_6004_UN,C1(=N[NH]C(=N1)N2CCNCC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O,JIADMZUJJFXRIH-UHFFFAOYSA-N
-C8B20AE225DCAFF1_07DDC12C4617069C_6041_UN,O=[N]1=CC(=NC=C1)NC3CCN(C2=N[N](C)C=C2)C3=O,NUOMQXPSYDQORD-UHFFFAOYSA-N
-CA70112D01902192_F542E4238F0396C0_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)C=C4,HTIOFXNHSZVSIV-UHFFFAOYSA-N
-CBBE1C7FFB78B69E_AAD12C65E1AD190E_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2(OC)CNC2)=O)C=CC=C3,FAYUPVBODAFOBD-ZYHUDNBSSA-N
-CBEB04518694C803_6E8C90346B54D09A_6041_UN,C1(=CC=C(C=C1)C2=CC(=O)CCC2)NC3C[C@@H](OC)[C@@H](C3)OC,BHENPIUMAJHYEK-RTBURBONSA-N
-CC542E1F17B036F8_E47DFDFB141E206E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NCC3ON=C(CC)C3,ZEQYAOLXSLAISE-UHFFFAOYSA-N
-CC990B1362A81EBF_F2C8FD9343A62B10_6038_DP,CC1=CN=C(C=C1)N3CCC(NC(C2=C(CO)C=CC=C2)=O)CC3,SSCNTSFJZLZLKK-UHFFFAOYSA-N
-CC9C48AC78E39BFD_D14F0A7EFD646477_6028_UN,CC1CN(CCN1[S](C3=NC2=C(C(=CC=C2)Br)S3)(=O)=O)C4=CC=NC=C4,XJMMMRJYTOVXAV-UHFFFAOYSA-N
-CDCF6C33A6F7A5D7_F00A9E88192BFF25_6029_UN,N(C1CC(C1)C#C)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,ABMCTLFEOJQPBP-UHFFFAOYSA-N
-CFC3D46E6879BE5B_8E81CA2731B3A56B_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,PPRPGMTWQJTSEI-UHFFFAOYSA-N
-D1A1B37F4FBC6676_20D7DE3762E67EEF_6034_UN,CC1=C(N(C(S1)=O)C[C@@H]2C[C@@H](OC)CN2)C3=CC=CC=C3,DUKYWXLTVWMVAL-UONOGXRCSA-N
-D1A1B37F4FBC6676_4F750EBE120C79CF_6034_DP,CC1=C(N(C(S1)=O)C[C@@H]2C[C@@H](OC)CN2)C3=CC=CC=C3,DUKYWXLTVWMVAL-UONOGXRCSA-N
-D25C8FDD2CA5BB0B_B8CAC7F1514F7C23_6038_UN,N(C1=CC(=O)CC1)C(C(OC2=CC=C(SC)C=C2)C)=O,PXOKXKMDRCSWFU-UHFFFAOYSA-N
-D29A1ADCF3816256_3B3E5B8AD610B60F_6029_UN,CC(CO)C1CCN(CC1)[S](C2=CC=C(C(F)=C)C=C2)(=O)=O,HNRFYLAKYJFIPP-UHFFFAOYSA-N
-D318491B4E4C6BE8_282B9D264B0CB279_6029_UN,CC1CN(CCN1[S](C2=CN=C(Cl)C=C2)(=O)=O)C3=NC(=CC=C3)C,XBZUGYHTYJNNGB-UHFFFAOYSA-N
-D650045B7937E22D_D1A96064BDFD41C9_6038_UN,CC(C)C1=NN=N[N]1C2=C(C=C(C=C2)NC([C@H]3N(C)C(CC3)=O)=O)C,FVVQEQUYASDISU-AWEZNQCLSA-N
-D68EEC074D671CA6_41C1D947645EA66A_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC3=C[N](CC(C)C)N=C3,JHNKBFIOYWVXBC-UHFFFAOYSA-N
-D7496BA1F1F1488B_F592FB507F5BAF9F_6038_UN,N(CC1=N[N](C=N1)C2=CC=CC=C2)C(C3(C(N(C)CC3)=O)C)=O,PCJQXOWKKUWSGT-UHFFFAOYSA-N
-D7C26BC2935D9B69_FCFC4554195FF795_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C(OC)=O)C=CC=C2)=O,MRKXATYIYYLWFW-SNVBAGLBSA-N
-D7E961E79FF10A8D_43DD54086EEAD6A9_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(N=N[N]3C)C4=CC=CC=C4)(=O)=O)C,ROWBIPFTZFVHEB-UHFFFAOYSA-N
-D86F75BBAFB5F13C_7E8C6CC6195C30AE_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(COC)C=C3)F)(=O)=O,YHIREWWWQPNUDM-IYBDPMFKSA-N
-D8A6AE82F46C8CC6_9F484ABC035E2E1E_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CCCCC5)(=O)=O,VKTRYKDHPZKRGR-UHFFFAOYSA-N
-D8D3D9868E638804_181F26FF0773E029_6005_UN,OC1=C(C=C(C=C1)C2=C(C=C(OC)C=C2)C)C3=CC=CC=C3,YRIRCPBETYXCTG-UHFFFAOYSA-N
-D9C43047501F00AD_B5FDD14BEBEBC6E9_6036_DP,N2CC(=CCN([S](C)(=O)=O)CCC1=CC=C(C=C1)F)C2,LUBAUCYDPYORSA-UHFFFAOYSA-N
-D9C7B2098DDA6151_B1B67516028980BC_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CC=C(C=C3)C4(CCCCCC4)C#N)(=O)=O,MTBSCUOILYVFAA-UHFFFAOYSA-N
-DA26B5A5C57DB126_47AF434A5D4F8181_6005_UN,OC1=C(C=C(C=C1)C2=CC=CC(=C2OC)OC)C3=CC=CC=C3,KNEFXSKSGZRDGZ-UHFFFAOYSA-N
-DA848A77001577F1_39CD9C93DE81BF6D_6038_UN,C[C@@H](NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)C3=NN=C[NH]3,BDGJQKIERYBIKV-MRVPVSSYSA-N
-DB221050E02C4073_C02C8317829DC88C_6041_UN,CC4=NC1=C(C(=CN=C1)NC2CN(C)C3(C2)CCC3)[N]4C,ODSNPEJZHQYHAF-UHFFFAOYSA-N
-DB35A9E6B64E7EBF_CC3A8AA026E9AF66_2875_UN,CC1CCCC(C1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,BLLOXXTXTKUURK-UHFFFAOYSA-N
-DB7F4D88A7B672F8_7E94F619E39B9373_2875_UN,N2=N[N](C1CCCC=C1)C=C2C3=C(C(C)=O)C=CC=C3,WVDTZIQTBYWGGF-UHFFFAOYSA-N
-DB875BB97BC42273_35E80BDAC5E66BB6_6029_UN,C1CC(CCN1[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)O5,PBIQKABRWLTZJO-UHFFFAOYSA-N
-DB95B5E3511EEF84_162BA8486E4E7F43_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=C(C=C4)Br)(=O)=O,YJLTZPHKBHNVLR-UHFFFAOYSA-N
-DBCE0E314D9C4C6B_D2356FC85E282671_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C[C@@H]2C[C@H](OC)C2)=O)C=CC=C3,LMVMRGVLPWDBGI-GUIRCDHDSA-N
-DC153F6802D69846_92A3F523030EAA6B_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([N](=O)=O)C=C2)CC3)C=CC=C4,YLNVAQWKJDPUCC-UHFFFAOYSA-N
-DC4B6314735E09DD_B18DDFB964B29073_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,CTZQIZMIHSXZNX-UHFFFAOYSA-N
-DCEA12442F166C65_619EEBC465A7507F_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=N[NH]N=C3C)=O,AYBSGTOBBRYZJY-CYBMUJFWSA-N
-DD3DC4714C5F7D27_B1591492F59BD939_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C([NH]C=C2)C3CC3,QOGJDIFJPVXIQW-UHFFFAOYSA-N
-DDFAC2581A900A9A_97690D4604670E63_6029_UN,CC1CN(CCN1[S](C2=CN=C(F)C=C2)(=O)=O)C3=NC(=CC=C3)C,MUUZYRMZRHHWLN-UHFFFAOYSA-N
-DE5C1A2787226C85_4973A5B7CC709A32_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C3=CC2=C(CCN(C)C2)C=C3F,SASAJKKEUCFOIA-UHFFFAOYSA-N
-DF4027BDF3736FDE_C312DA353BA192D8_6026_UN,CC1=NC(=C(C=C1)[S](=O)(=O)N3CCN(C2=CC(=C(C)C=C2)C)CC3)Cl,HCZUVSYANDTQHN-UHFFFAOYSA-N
-DFACCC78D75FFF22_BC959D944C4CBBBE_6035_UN,O([C@@H](C1CCCC1)C2=CC(=CC=C2)F)C3=CC=CC(=C3)[S](C)(=O)=O,WVCKZKOGVUIJCM-IBGZPJMESA-N
-E0D53232141C74A3_FFDAE4B187EFA507_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C)(=O)=O,BGMGEGPPCHSRIB-UHFFFAOYSA-N
-E0FDAC3252EC6E3C_F4DF0251EFF0769F_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC(C)(C)C2=NN=N[NH]2)N3CCOC3=O,QNWZYPUGXSPBHX-UHFFFAOYSA-N
-E18B0F231BB16463_898C8B77D6F49042_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,QQKPDYSVYTYJPF-UHFFFAOYSA-N
-E24F163978776C77_88CD827F270BD73B_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,WYGCWISHKRWPMA-UHFFFAOYSA-N
-E438993D963B5A88_0E605723294F905D_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C(OC)C2=CC=CC=C2)=O)C=CC=C3,MVOQJIOHGUVUSH-HZBOCPGUSA-N
-E50EE2AB2E6D6111_B9F7581EC4993974_6035_UN,CC(OC1=C(C(CC)=O)C=CC(=C1)C)CN2CCNC2=O,NRYUCZYWROABDD-UHFFFAOYSA-N
-E6098E0CC7D74E4E_2ADEBCC96F9382CB_6034_DP,CC1=C(N(C(S1)=O)C[C@@H]2C[C@H](OC)CN2)C3=CC=CC=C3,DUKYWXLTVWMVAL-KBPBESRZSA-N
-E6E11233A6E3FA25_6A5B8C6776A31983_6029_UN,CC1=CCCN(C1)[S](C2=CC(=CC(=C2)OCOC)F)(=O)=O,JZHQRKXUDHQOGH-UHFFFAOYSA-N
-E6FBCD82120AEEE2_15064637EE39B715_6038_UN,CC(CNC(C1(N(C)C)C2=C(OCC1)C=CC=C2)=O)C3=NN=N[NH]3,DPSZSMHSXZAENR-UHFFFAOYSA-N
-E710C38F0F7A0560_5F85EFDB3669E281_2875_UN,O[C@H]1CCC[C@@H]1[N]2N=NC(=C2)C(C3=CC=C(F)C=C3)=O,SOLRLULRENVGNJ-STQMWFEESA-N
-E7672BD939090580_6DAA5BDCCC2D3099_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CC(OC)C2)=O)C=CC=C3,WJYXVCVSFMMKFY-MLCFOIATSA-N
-E81EEAE6E10235AF_AFDC48A9BE5A1549_6038_UN,CN(C)CC(NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C3=CC=CC=C3,GBYQVBRQZRCLAD-UHFFFAOYSA-N
-EAC8AE867FDAF305_34F60CF8373DDA50_6029_UN,CC(C)CCC1CCN(CC1)[S](C2=CC=C(CC)C=C2)(=O)=O,BILXNEUZNNEQKX-UHFFFAOYSA-N
-EBB7370EBDEBB57D_7D9FA5F6D6284683_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=CC(=C2)F)C=C3,BPPMOPMBEJMYQJ-UHFFFAOYSA-N
-EEB10AC492F88C36_7CDEE91F11627A41_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NNC(C=C2C)=O)=O)C=CC=C3,MCWGKMCWTIQHGQ-ZYHUDNBSSA-N
-EF801F2D92FF45F0_C2B085F61D7E161A_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C3(N(C)C)CC3)=O,IPHRJDUXYBGCHX-UHFFFAOYSA-N
-EFBD275CEDB37D78_9A8E6F7002B34667_6041_UN,CC(C)CC1=C(C=CC=N1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,PXFVUTSSSKVADF-FTNCPSPGSA-N
-F0359AED82F31E85_58259D809040DAFE_7019_UN,O=[N](=O)C1=N[N](C=C1)CC=CC2=CN=C(C(C)(C)C)C=C2,LFYNDEPYJYSVAC-UHFFFAOYSA-N
-F0495071BBFFDDF9_95FB1D215324241F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(N(C)C)=O)C=C2)=O,WFGKMENVKGIAAE-NSHDSACASA-N
-F09DCBFE7C70D1B8_24F6A829FF43A36E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CC2)NC4=C(C(OC)=O)C=C3OCOC3=C4,ULFYPPCYOUHGHM-UHFFFAOYSA-N
-F0FC42B3C6A2F4DF_E4E23E0AFE15607D_6029_UN,N(C(C1CCCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3Cl)C)(=O)=O,TUSVCUCGKRWTBX-UHFFFAOYSA-N
-F20DB74394132E04_1366BEC7C4ED9A86_6029_UN,CC1=CC=C(C=C1)[C@H]2[C@@H](C2)N[S](C3=CC(=C(Cl)C=C3)OC4CC4)(=O)=O,IBUSILRTZOWBOW-FUHWJXTLSA-N
-F2A51B270A9E4CA8_DAEC523FB0C23034_6028_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,XBAKEVREHFZRDJ-UHFFFAOYSA-N
-F38E16CA38CD7312_0861D41D1A8913F2_6035_UN,O(C1CN(C1)C2=CC(=CC=C2)Br)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,GXYRWVUWMASVCJ-UHFFFAOYSA-N
-F3CD2A4EC8B78FC9_045FDBD6165058F5_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C(OC)C2CC2)=O)C=CC=C3,HUDWXSMRHQRERY-BAOLWLNASA-N
-F405C63C2D237D7A_63C33D43FF867924_6003_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C3=CC=CC=C3C(NCCCOC)=O,MYJHPTBMLPPDDY-UHFFFAOYSA-N
-F5D98510AC1DDC38_62A8BE84F623500D_6003_UN,O(C1=CC=C(C=C1)C2=CC=CC=C2)C3=C(C=CC=C3C(OC)=O)F,MUFCEQAZGIYVNZ-UHFFFAOYSA-N
-F7473BE9BC14E16C_B3B49CA10586FB48_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@H]3C[C@H](OC)CC3,SJPGJDORFIJZDP-ZFXTZCCVSA-N
-F7ECF5FDDDD17C53_5598FD2BB4235379_2875_UN,CNC(=O)CC[N]1N=NC(=C1)C2=CC=C(N(C)C)C=C2,LMXUKEKFODTCQN-UHFFFAOYSA-N
-F814FCF63F6756CB_5861846D1FE918D9_6034_UN,C1CC(=CCN1)C2=CN(C3=C2C=CC=N3)C4=C(CC)OC=CC4=O,RKJMEWTYBNCVGM-UHFFFAOYSA-N
-F8603FDAF3DE6F18_02DC3DF6F8577AD2_6041_UN,COC(=O)C2=N[N]1C(=CC(=NC1=N2)C(C)C)NC3=CC4=C(C=C3)B(O)OC4,FSROLIJSRFOJGO-UHFFFAOYSA-N
-F93A771E9BF84EFF_14C93FCF0C6017FD_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(N3CCCC3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,OLJYAFFKDKXQBJ-UHFFFAOYSA-N
-F9AF53099D8FA6EE_45076C58AACA542C_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C(C)[N]3N=NN=C3C(C)(C)C)=O,DQQZAMFTUUQYHC-UHFFFAOYSA-N
-F9DA622D7A93D276_029EFF4AC9DF7878_6029_UN,C1=C[N](C(=C1)C2=CC=CC=C2)[S](C3=C(C=NC=C3)C4CC4)(=O)=O,IQVYSWHILFYXJK-UHFFFAOYSA-N
-FB7468B227569631_7430CCF69A907525_6029_UN,OC1CCN(CC1)[S](C3=CC=C(C2=N[N](C(C)C)C=C2)C=C3)(=O)=O,CKUAPCZIKGDMCQ-UHFFFAOYSA-N
-FB7468B227569631_9E5C74B227DD9C1E_6029_DP,OC1CCN(CC1)[S](C3=CC=C(C2=N[N](C(C)C)C=C2)C=C3)(=O)=O,CKUAPCZIKGDMCQ-UHFFFAOYSA-N
-FB855B025E74E900_FD7C847E1F44E86E_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2C[Si](CN2)(C)C)=O)C=CC=C3,FXNHKXIAJWBTFC-AYBZEELNSA-N
-FC5A0AD459C547E8_6EF3DFF32346FF05_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(CC3=NN=C[N]3C(C)C)=O,FUEMJIAFJZVFQJ-UHFFFAOYSA-N
-FC655C25A2BC6D3C_D6A09EEA798D83C9_2875_UN,O[C@@H](C[N]1N=NC(=C1)CCC(C)=O)CC2=CC=CC=C2,ANGHYRBSAKYNQV-OAHLLOKOSA-N
-FC660D8498065E60_EAF9F0115E5C1A18_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C3=CC2=C(CN(C)CC2)C=C3F,ZZIKUBIAONFMRQ-UHFFFAOYSA-N
-FC8F4F65A95C23E2_71E0E6D3004EE679_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@H]3[C@H](OC)CCOC3,NYBCZEZWKXYVAQ-HZPDHXFCSA-N
-FD02DA4324A176C2_68AA1F5B78693AB1_6034_UN,C1NCCN(C1)C3=C2C(=NC=C2)N(C=N3)CC4=CC=C([S](C)(=O)=O)C=C4,HQFFOYVXHSAANM-UHFFFAOYSA-N
-FDF1C69AD1C6E2A3_7F896C80FD5B169D_2875_DP,N[C@@H]3CC[C@H](C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,JHWQAFUJNDYFBM-QWHCGFSZSA-N
-FE56717242672180_0638B3F792137C38_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=CC(=C2)OC)C)=O,RMCYMOXBUWMOPO-UHFFFAOYSA-N
-FE6D6AF65DB2711D_E9022051DEC28A9E_6029_UN,C1CN(CCN1[S](C2=CC=C(B(O)O)C=C2)(=O)=O)C3=NN=C(O3)C4=CC=CC=C4,OXBZAAMHPANGOY-UHFFFAOYSA-N
-FE9A5A4766B71D7D_DB62C60A19126861_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(CCl)C=CC(=C2)Cl)(=O)=O,PRMBLHGBHFRZPK-UHFFFAOYSA-N
-FEC6D0A05A588F39_09211283A0BAED0C_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2(NCC(OC)C2)C)=O)C=CC=C3,YZSNBVJBVRVNMK-ROBSIFSHSA-N
-FEE02DBAC9F157D4_4225492E955CA7E8_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(CO)C=CC=C2)=O)C=CC=C3,IYTUSDVLWQXWRU-MLGOLLRUSA-N
-FEF20A272C83AB9F_9FD6D115F624A29D_6028_DP,OC1CCN(CC1)[S](C3=NN=C(C2=CC=C(C)C=C2)[N]3C4=CC=CC=C4)(=O)=O,JXJKAIJSBFRSKQ-UHFFFAOYSA-N
-003C12BF165834DA_1A4C7C155A5A35FC_6029_UN,C1CC(CCN1[S](C2=NC=C(S2)C3=CC=CC=C3)(=O)=O)C4=CSC=N4,BCCWNYZYVRVKIC-UHFFFAOYSA-N
-00F4D56A15F2DFB8_8C0B9FC63DA743DA_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=C(C=C3)OC4CCOC4=O,QHEAOWZYQKKDJZ-UHFFFAOYSA-N
-02BE3A6270CB63A2_7BEF3CC8B8BE2F74_7022_UN,COC1=CC(=C(C=C1)C)NC3C2=CC=CC(=C2OCC3)C,NXVOCDQDNHBWRQ-UHFFFAOYSA-N
-03488C3608A0BDDA_6F47C665E47BE453_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C3=NNC(=O)CC3,GMGRVQYORALTCB-UHFFFAOYSA-N
-036DEA9458E13FE2_2FFB4B5B198357A8_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C[N]4C=CN=C4C,OPUKQPYGTSRNJE-UHFFFAOYSA-N
-03A7EEB8A73E587C_BF3D8783A38418DD_6029_UN,ClC1=CCCN(C1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,RSTFWZLEYMLWPN-UHFFFAOYSA-N
-050DECFDFB4B040E_8E51A1C076E72F64_6038_UN,CC1(C)CN(C1=O)C2=CC(=CC=C2)NC(C3(CCN(C)C)CC3)=O,KPMSZHJJSHMUMN-UHFFFAOYSA-N
-05C6123789628076_6BCF52E6F58BD092_6038_UN,COC1=NC(=CC=C1)CNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,GSTDKDWTKBAYER-UHFFFAOYSA-N
-0605366851346268_CD45D00A4EC50573_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(CN(C)C)=O,PEGLZNTXWSJCMU-UHFFFAOYSA-N
-0830C7B27EEBB667_1BCA9234A4F18C00_6038_DP,CC1=C(C=CC=C1NC(C2C[Si](CN2)(C)C)=O)N3C(=O)CCC3=O,JGMFXXVIXXYXQO-UHFFFAOYSA-N
-083A14638E2E6B87_4587A494065576F6_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C[N]3N=CN=C3N=C4C)=O,FAWGUEWQYHHDOC-UHFFFAOYSA-N
-088AE7D2EF4D2F98_7DE0A98CFE2C9F26_6038_UN,CC1=C[N](N=C1)C2=CC=C(C=C2)OC(C4CC3=C(N=N[N]3C)CC4)=O,BGBHTRDUHORZKI-UHFFFAOYSA-N
-095533EE7137428F_948F79C1008C59AC_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCCC,JMMLYWBMJJCJJU-UHFFFAOYSA-N
-0957B95ECF4A4957_9C200930A90AF1A6_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC(C[S](C)(=O)=O)C3=CC=CC=C3,FYIQVZJYYQSZTQ-UHFFFAOYSA-N
-09C2EAF1BD40E639_AC251F675D40897D_6038_DP,CC1(C)CN(C1=O)C2=CC(=CC=C2)NC(C3CN(C)C(CN3)=O)=O,MJMAPJIUKHZIST-UHFFFAOYSA-N
-0A4E0034D753AEA5_17FBAEF0631031A7_6038_UN,CN(C)C3=NC1=C(C=CC(=C1)NC(C2ON=C(C(C)C)C2)=O)[NH]3,XQVFDNRNNDIMIO-UHFFFAOYSA-N
-0B38AECF3412FDD4_9E08D9AC64467CE6_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4CC[S](=O)(=O)C4,WNWCJYMPRNWWDF-UHFFFAOYSA-N
-0C3E780F9544436D_32A0E24E5706DA78_6038_UN,N(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)C(C2(CCN(C)C)CC2)=O,DJOXYEAJVKPWSH-UHFFFAOYSA-N
-0C582C41278A0A4A_0EBBA4A77A516C9F_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CN(CCC)C)=O,MEJYQWAFGMASSU-UHFFFAOYSA-N
-0DD58A1B32E3E555_E602FEEBFE0CED72_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(C(CC)=O)CC3)=O,BWXGNMLBMWCZJW-UHFFFAOYSA-N
-0DF154126F1BCE10_C3CE240A6C6E8EB4_6029_UN,CC1CC(CN1[S](C2=NC=C(CO)[NH]2)(=O)=O)C3=CSC=C3,VNZVKEOEHOCMNF-UHFFFAOYSA-N
-0E2C28850A53F237_35C23DFA6A6D6DCC_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(CCC(N(C)C)=O)=O,NYZPCBDLKGCMBD-UHFFFAOYSA-N
-1247D86BE71C2E8C_753857CD6D9DFC81_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OCCC3)OC)[S](=O)(=O)C,PQIRKGUDGJNQAM-UHFFFAOYSA-N
-166D78105FD79F50_EA1D5C8B79551013_6039_UN,O(CCC1=CC2=C(C=C1)CCC2)CC3=CC=C([S](F)(=O)=O)C=C3,BIYXQPYWCOHRQG-UHFFFAOYSA-N
-180314126B9BEEB1_D3ADE903F62D9F2C_7017_UN,N4([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)C(C3=NC(=CS3)CO)CCC4,RKUJVPLHBPSTPU-UHFFFAOYSA-N
-1964F61AA7C6C4E9_5C85D4D9C3E5CF28_6038_UN,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C(CCC[Si](C)(C)C)=O,JRUUVQJHIGJRMI-UHFFFAOYSA-N
-19774560D8AAE118_0A5BD314C5EF36EB_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCC(C)=O)=O,PUFIYNAJEMHZLP-UHFFFAOYSA-N
-1A3E8B51EDFFC4F5_316A4070A71E9CB6_6038_UN,CCCC(NC(C1=CC=CC(=C1)OCC(N(C)C)=O)=O)C2=NN=N[NH]2,GYYFOHQEOLOQGZ-UHFFFAOYSA-N
-1A4044D068E8C263_70FD5E3B18094A16_6041_UN,COC1=C(C=C(C=N1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C)[S](=O)(=O)F,SFVMVFZQGKTJRW-UHFFFAOYSA-N
-1BA9E7C6F9D21C10_B402DB0B71F46D8A_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCCC2Cl)C=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,UOFTXPMPONXNMI-UHFFFAOYSA-N
-1BF48F9E9E276E47_04ADC9DA1C3EDBFB_6041_UN,CN1CCN(CC1)C2=CC(=CN=C2)NC3=C(C[S](C)(=O)=O)C=C(C=C3)F,VSMQQPWPNLWYAE-UHFFFAOYSA-N
-1D2E989C36AF0B62_BE97A165A37A6446_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=CC(=CC=C2)C=CI)(=O)=O,FBRFJNQFZPOGLR-UHFFFAOYSA-N
-1E9688C7E1BCEFBA_4C8A1A4F13FF5C77_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CN=C(O)C=C3,YNBHZEPAWQTDHS-UHFFFAOYSA-N
-1EF08AF69F9808BC_1FFA9B8ABF90BFCF_7022_UN,COC1=CC(=C(C=C1)OC)NC2C(C)OC3=C2C=CC=C3,IVCMTDRDNSPASQ-UHFFFAOYSA-N
-1F768BD9698D1FA2_C01D03C69811040B_6029_UN,CC1(C=CCN1[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C,GGZFZKOBMDYCJD-UHFFFAOYSA-N
-2041D176B6FA982A_B04F890B422E65B5_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(NCC)=O)CC2=CC=CC=C2,QZOKCIGJJUHPHF-GFCCVEGCSA-N
-2523BFFB212EF5E8_6A2789222F087811_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,VUWSSECFBJLFIP-UHFFFAOYSA-N
-2666463C24D79933_CF12E4D7CC88A4BA_6038_UN,O(C1=CN=C(C=C1)F)C(C2=CC(=NC3=C2C=C(C)C=C3)C4CC4)=O,XBQHKMJUUJLWCM-UHFFFAOYSA-N
-27184C5D48173143_718BE9BD6DF5F7D7_7017_UN,N4([S](=O)(=O)C1=C[NH]C2=C1C=C(C=N2)Br)C(C3=NC(=CS3)CO)CCC4,KLULJTOGDFLHNI-UHFFFAOYSA-N
-27316BC95AA4C5B9_E6DA7BE1E066BB59_6038_UN,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(C3=CC(=N[N]3C)C4CC4)=O,GVDMLNRCIYRSEX-UHFFFAOYSA-N
-2C25C4CE7095F01A_EAB1233E153AE453_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C(CCN(C)C)=C)=O,PONYUFCBPRAYHN-UHFFFAOYSA-N
-2CE607071A3292B6_2BB68568DBDC4C19_6029_UN,CC1=C(C=CC(=C1)N[S](C2=NC(=CC=C2)C3CC3)(=O)=O)C4=CC=CC=C4,AQKUHZMWODQHCT-UHFFFAOYSA-N
-2D77B27D7154A95A_F8D6108D3F457DBF_6043_UN,CC2=C1C(=CC=CC1=CC=N2)N([S](=O)(=O)C3=CN=CC=C3)C4CC4,AQSSHANLHZBAOV-UHFFFAOYSA-N
-2F3B2D860FFECE2E_25656AC56B97FD33_6041_UN,C1(=CC=C(C=C1)C2CCC(=O)C2)NC3=C(CC)C=CC=C3C,APWKLAKBEYODPO-UHFFFAOYSA-N
-2F409564402F04B0_1BA93BF66599AE2A_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCC(CC)=O)=O,QLKHYEIXHZFDOT-UHFFFAOYSA-N
-30E41F3C5D845939_522B1A8BE2E39001_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CN([S](C)(=O)=O)CCC3,OZHXVODJVUNDKH-UHFFFAOYSA-N
-34F95F49B77DC3FC_EA5DEA9A100ACCB7_6003_UN,N[S](=O)(=O)C1=C(C=CC(=C1)OC3=CC=C(C(N2CCN(C)CC2)=O)C=C3)Cl,ZUJFVIIRWAUKCF-UHFFFAOYSA-N
-362246CC67389263_AC9C16DA67BE1442_6038_UN,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C3CC(C(OC)=O)(C)C3)=O,PWVYBANFQJCWEO-UHFFFAOYSA-N
-362D1B5E0F26CBE3_6E5B0C70815E1A38_6041_UN,OC(=O)C1=C(SC=N1)NC2=CC=C(C=C2)CN3CCOC3=O,ODDDWPLEJDGXBI-UHFFFAOYSA-N
-362D1B5E0F26CBE3_A955E07235E6CA1C_6041_DP,OC(=O)C1=C(SC=N1)NC2=CC=C(C=C2)CN3CCOC3=O,ODDDWPLEJDGXBI-UHFFFAOYSA-N
-379F05CF2F0FEB10_5413B6F4923915FE_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(CC(C)=C)=O,SOKHHRZKUNPPMF-UHFFFAOYSA-N
-37FF68456E223612_F450A5CF2ED3524D_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCC,VJNIXSYGVSYZPP-UHFFFAOYSA-N
-38B4FA8DD87267F4_9E810CE2659B7AD8_6039_UN,O(CC1=C(C=CC=C1)C2CC2)CC3=C([S](F)(=O)=O)C=CC=C3,KAVOZYDNSNGLPT-UHFFFAOYSA-N
-38EA1CAC9B99447C_2C28059E3A79107A_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C(C)N=C(N=C3)C4CC4)=O,VQDSMVKEHJDMAL-UHFFFAOYSA-N
-392449C0BD87FE60_66CD682F5D61C3B1_6028_UN,FC1=CCCN(C1)[S](C2=CC=C(OCCOC)C=C2)(=O)=O,UFSLMOKIUVRNFS-UHFFFAOYSA-N
-398CE4CFCE09B58E_DBC4B4343A4A9612_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C3=NN=C(C)C=C3)=O,XBSPGBCJPDMZLX-CYBMUJFWSA-N
-3B00DA48C9C083DE_0F93A3A391C49C1C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3CCCN3C4=CC=C(C)C=C4,FOXAJAXILKYRLD-UHFFFAOYSA-N
-3B713F24B6D1D136_4F1BD3B6571188A2_6039_UN,O(CC1=C(C=CC=C1)C2CCC2)CC3=C([S](F)(=O)=O)C=CC=C3,QKUANCHMPTWVIE-UHFFFAOYSA-N
-3E06C0796D04E575_41AFA415350FDBA5_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,OKYCNWHPEXJJRV-LBPRGKRZSA-N
-3FF131EE29DAA917_5D798B954F2EF68E_6026_UN,FC2=C1OC=CC1=C(C=C2)[S](=O)(=O)N(C3CCCCCC3)C5=C4C=CC=NC4=CC=C5,YPRDRVWPTNAWOX-UHFFFAOYSA-N
-4170865E8E0600A6_560BD266C8F34784_6041_UN,COC1=C(C=CC=C1)C2=NN=C(C=C2)NC3=CCOC3=O,PLXVXUJTAKJPIS-UHFFFAOYSA-N
-41D0F690092C8F16_0F072FEEFEDC34D7_6029_UN,ClC1=CCCN(C1)[S](C2=CC=C(OCCN(C)C)C=C2)(=O)=O,AYPIUTYXHGQYBU-UHFFFAOYSA-N
-41FF530AFF932E3C_C40D23C04A388A60_6038_UN,N(CC1=CC=C(C=C1)C2=NN=CN=N2)C(C3(C(OC)=O)CC3)=O,BLVHGZJQCKSJQR-UHFFFAOYSA-N
-454C0A5943734B31_6DC2C9EF5B70A529_6029_UN,FC1=CCCN(C1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,KBKZINZUWYMXIM-UHFFFAOYSA-N
-459AEF1C46DD1B7C_3980FC8B66ADE2F2_6038_UN,CC(OC(C1(C(N(C)C)=O)CC1)=O)C2=CC(=CC=C2)[N]3C=NN=N3,JBQOVARHLMMWOG-UHFFFAOYSA-N
-484B540AB2E6A345_B927A07D606AECA3_6038_UN,N(C1=CC=C(C=C1)C2SCCS2)C(C3=N[NH]C=C3C)=O,RUKPNTXRDCZPLB-UHFFFAOYSA-N
-486BD95EC0AA2489_BDB960DCBBF05623_6029_UN,C1CC(CCN1[S](C2=NC=C(CO)S2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,MDXCWBOSFMPYKB-UHFFFAOYSA-N
-498BE034A71D5194_57738D502C3415A1_6006_UN,C1(=CC2=C(C=C1)NC(=CC2=O)C3CC3)C4=CC=CC(=C4)CC,HQCMKYRKFXODDC-UHFFFAOYSA-N
-4A88F2C03CF68F3D_A6B1C3EEBFB43D9B_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC(=CC=C3)C[S](=O)(=O)C4CCCCC4,NFUZPOZXYZVSRS-UHFFFAOYSA-N
-4BAA04AA177552D7_4517B8B1BFD8C7D5_6036_UN,C(C1=N[N](C=C1)C2=C(C=C(C=C2)F)F)N([S](C)(=O)=O)C3=CC=C(C=C3)N4CCNCC4,QKTYZMPSYXVSNN-UHFFFAOYSA-N
-4D53DFA325FDEAC9_E3A9E360517E8E62_6029_UN,C1CC(CCN1[S](C2=NSC=C2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,ZMGKBGVVUFNBEX-UHFFFAOYSA-N
-4D8663AA9C941DD0_D8BEEFAB8F641D21_6038_UN,COC1=C2C(=CC=C1)C(CCO2)NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,LXXAYAWATJABKJ-UHFFFAOYSA-N
-4DD7587F7BB464D2_C909D33EAB15187A_6038_UN,CC[C@@H](NC(=O)C1=CC=C(S1)C3=NC2=C(C=CC=C2)S3)C#N,TZAHKRXAJUTTOY-SNVBAGLBSA-N
-4E0F1115EFB40C63_DC8906282F2C09A8_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)C3=NC=CS3)(=O)=O)C4=CC=NC=C4,KPVMHZNEMHZRCE-UHFFFAOYSA-N
-4E123B29D48B6EC3_54ED5F74EC437DBF_6038_DP,OC3CC(NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)C3,MIGZUKGDYQTWGN-UHFFFAOYSA-N
-4F38A61A08983CF1_A804CEAE8B78415B_6003_UN,O(C(CF)C[S](=O)(=O)Cl)C1=CC=CC2=C1C(CC2=O)=O,CJKZPGTUTVLUPF-UHFFFAOYSA-N
-511BF98F9BA40031_8EC59727A293601D_6038_UN,COC1=CC2=C(C=C1)[NH]C=C2CCNC(C(N(C)C)=O)=O,POSVSWJCGRJQLG-UHFFFAOYSA-N
-5296756572411B94_3304FF1F9A7B9B23_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(C=C2)NC4=C3COC(C3=CC=C4)=O,HJEOPPOFOGEXJZ-UHFFFAOYSA-N
-52E6B95E9AF3A17F_3051D7210E0CA339_6038_UN,O(C1=CC=C(C=C1)C2=NC3=C(N=C2)C=CC=C3)C(C4CCN([S](C)(=O)=O)CC4)=O,OMEIPGDVTYLRLM-UHFFFAOYSA-N
-54078C6B970E125A_2157A1F94853B1E6_6038_UN,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(C3=CC(=N[N]3C4CC4)C)=O,SSQUCCYHQMVAOU-UHFFFAOYSA-N
-54F7617C4FE2F2EE_454E888C1183C892_6038_UN,CC1=C(C=CC=C1NC(C(CCC)N(C)C)=O)N2C(=O)CCC2=O,KFWJKNQLPQWIDB-UHFFFAOYSA-N
-552B184D5FF274DD_31AC60C1EDF77FE2_6041_UN,OC(=O)C1=C(N=CC=N1)NC2=CC=C(C=C2)CN3CCOC3=O,OFROECGUFWFFPQ-UHFFFAOYSA-N
-5554195F722B6F27_A77EFD445C1DDB7F_6041_UN,COC1=C(C=CC=C1)C2=NC(=NC=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,WQKRFQKINSEZNO-UHFFFAOYSA-N
-56F7B40E250A6F95_551018F4E5DB7BD3_6038_UN,CN2C(=C(COC(C1=C(C(N(C)C)=O)C=CC=C1)=O)C[N]3N=NN=C23)C,QVOAMFRIXULBSQ-UHFFFAOYSA-N
-580957B4D8207985_B9C58C0E44375AC2_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3C2=CC=CC(=C2OCC3)CC)C4CC4,BVZAXZCELWSFSC-UHFFFAOYSA-N
-58B0489D70C5D2B9_B984D924B16A3D79_6036_UN,C(C1=N[NH]C(=C1)C2=CC=CC=C2)N3[S](CCN(C)CC3)(=O)=O,LHILAKAKHHFYLA-UHFFFAOYSA-N
-59C47F905C1111F4_92E6076E269C46AF_6029_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)Cl)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,VIPDEBAPCQHXCF-LSDHHAIUSA-N
-59F5C4C276CED6CA_AFC8DC9EA05D9163_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(C(OC)=O)CNC3,OJRGCPALXSHOBN-UHFFFAOYSA-N
-5A193188C72C67B2_988D424C7AF7DB16_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCN(CCC)C)=O,BZINLICUNXIXFO-UHFFFAOYSA-N
-5A69B009BD75795D_037FB7242B626433_6041_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)NC3C[C@@H](OC)[C@H](C3)OC,YIYCLWHFJMDJDP-YQQQUEKLSA-N
-5A69B009BD75795D_58AFF0570D71AB5E_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)NC3C[C@@H](OC)[C@H](C3)OC,YIYCLWHFJMDJDP-YQQQUEKLSA-N
-5B3E6F7BD21E0356_70DD19AB0F0941DB_6038_UN,CC(NC(C1(C(N(C)C)=O)CC1)=O)C2=NN=N[N]2C3=CC=CC=C3,FRUDMXGKPBJELM-UHFFFAOYSA-N
-5C81F3EE9ADD7E34_33E76DA2C3AC5413_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(CC(CC)N)C,WFSPAZPDTYDYCP-UHFFFAOYSA-N
-5DE9D86FB64DACD7_B084E39DD00FAD0A_6005_UN,CCOC1=CC(=CC=C1)C2=CC3=C(C=C2)C=C(O)C=C3,UZDUTMPLTDXTQO-UHFFFAOYSA-N
-5EC0BDCEF1031D95_22A751DDBDF6EF66_6043_UN,CC1=C(C=C(C=C1)C2=N[NH]C=C2N3CC=CC[S]3(=O)=O)C,HEKSPQRXZNFZFP-UHFFFAOYSA-N
-5FA95AD5E3469EA9_D4BF8AFEA9EE32B3_2875_UN,C[C@@H]([N]1N=NC(=C1)CNC(=O)C2=CC=CC=C2)C3=CN=N[N]3C,DBSHTZGGICOMIT-LLVKDONJSA-N
-5FB39AF7898EB7B8_FE9A102C5405A5D4_6041_UN,C1(=CC2=C(C=C1)CC(=O)C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,DJAKUXQFQXARAF-GOSISDBHSA-N
-6029C4E90BF101AC_9F138223FB437054_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)N[C@@H]4CC[S]([C@@H]4C)(=O)=O,GRWVFZVQECBJNF-DGCLKSJQSA-N
-62AB83B98E859D1A_514052F71417EE45_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(CN(C(OC)=O)C3)C,QFGSEGGTIILCLP-UHFFFAOYSA-N
-6305B81E3B16CB04_3026357015192612_6041_UN,C[S](=O)(=O)C1=C(C=CC=N1)NC2=CC(=CC(=C2)N3CCN(C)CC3)C,UXNTVXILMPOBRS-UHFFFAOYSA-N
-63BEAF7B3677809E_620074D36708D1C2_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4=CN=CC(=C4)COC)=O,JNQVFTVTBFRTLX-UHFFFAOYSA-N
-63DE73C2C1932BC1_F4115541A6D36340_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)[N]3C=CC=N3)(=O)=O)C4=CSC=N4,POMROKNJLUJGER-UHFFFAOYSA-N
-654BE2E0407AEF4A_C150039748F4BD8F_6041_UN,FC1=CC(=C(C=C1)NC2(C(N(C)C)=O)CC2)C3=N[NH]N=N3,ZSBMZBCEIYOEEL-UHFFFAOYSA-N
-65B14C0D431CED7B_D5B4D83B2201CB54_6034_UN,CN4CCC1=C(C3=C(N1CC2=CN=N[N]2C)C=CC(=C3)Cl)C4,KAZCYNKDQDSOCE-UHFFFAOYSA-N
-6949E23EEB169FE8_62C9EAF39D6CFE6C_6028_UN,ClC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,DFDGMNAYDWOXOX-UHFFFAOYSA-N
-6CB38D55593C9DBD_FB5065545644CFB2_6029_UN,C1=CC(=C[N]1[S](C2=C(C=NC=C2)C3CC3)(=O)=O)C4=NC=CC=C4,CSKRDDCLKHRZAC-UHFFFAOYSA-N
-6D35E1137C3A098D_C6BD79F497C3CBFF_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC([C@@H]3CN(C)CC3)=O,APBNQGCVYZQJSL-KRWDZBQOSA-N
-6D675375741F46AB_45DD3E2FAA7DDAB4_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C(CC3=CC=CC(=C3)OC)[N]4N=NN=C4C)=O,QISQLWMDZJGYRQ-UHFFFAOYSA-N
-6E8C48A877D47E24_294711CBBFF20B5B_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=C(C)[NH]2)=O)C=CC=C3,FUJXNIPCCJAXIJ-BXUZGUMPSA-N
-6EB122851DE7C82C_9E02AC30AF60145D_6026_UN,FC1=CC2=C(C=C1)N=CC(=C2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,ZIXOYLNQPBTJHM-UHFFFAOYSA-N
-739C6BF079B0B86D_08563D3AB99D9C8B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(C)(C)C)C(=O)O,GRKFMKXSUZBCHL-LBPRGKRZSA-N
-74B960994409C774_3A6F20AD0681BCF6_6029_UN,N(C1=CC(=CC=C1)C2=CN=CN=C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,NTCLNOITEVJAON-UHFFFAOYSA-N
-74CAF27F9F56F4B5_6DC3691F0B5DC4D4_6041_UN,COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CCOC3=O,HQMZOCHILSALOG-UHFFFAOYSA-N
-786D6785B7F52C49_B9AD19F3196DF416_7017_UN,N3([S](=O)(=O)C1=CC(=C(C=C1)[N]2C=CC=N2)F)CCCC3C4=N[NH]C=C4,QDWPXMYSEXKEPP-UHFFFAOYSA-N
-7990D1E982C23D6B_BFF13BF008E04AF9_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCN(C)C)=O,SVLXSIBLDAVAGD-UHFFFAOYSA-N
-79EBA3AFCE39970C_8D4DBAE8A2E4484F_6026_UN,F[S](F)(F)(F)(F)C1=CC=C(C=C1)[S](=O)(=O)N[C@H]3[C@H](C2=CC=C(C)C=C2)C3,SLOCTCUKDPNMFS-JKSUJKDBSA-N
-7A0C809EC636396C_22CF11480C4DFF58_6038_DP,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C(CCNOC)=O,QCBZHZDNPSKCSQ-UHFFFAOYSA-N
-7BC7C656BB1B9A23_01EBC0F8B0755F73_6041_UN,CC2CC1=C(C=CC=C1C2=O)N[C@H]3[C@@H](OC)C4=C(C3)C=CC=C4,NPDDFXRCCWYYHN-CAVRMKNVSA-N
-7EF6CCF4BCF3DDAF_08FB622F4668E569_6028_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,CYRNVVZTVUORDS-UHFFFAOYSA-N
-7EF6CCF4BCF3DDAF_C24813D6D7A7AE3C_6029_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,CYRNVVZTVUORDS-UHFFFAOYSA-N
-7F6602730F93935A_9C8E9CBB2D1F0EFF_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(CC3)C4=C5C(=CC=C4)SC=C5,NVRLMNDTGPPYHF-UHFFFAOYSA-N
-7FB5D118F198B15E_ED273528994095A7_6038_DP,N3C[C@H](NC(C(=CC1=CC=CC(=C1)OC)[N]2N=NN=C2C)=O)CO3,HVFYPDGKNYYYOT-LBPRGKRZSA-N
-7FF8F13C10D0CF52_659EC88BC819B3A6_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)OC(F)F)(=O)=O)C3=CN=CC=C3,JTDIJQCPAABQFF-UHFFFAOYSA-N
-8157C3D94FE16E25_D4688EA3C3F00C10_6039_UN,O(C(C=C)C(=O)O)CCOC1=CC=C([S](Cl)(=O)=O)C=C1,WDKYRJMRSLTYMA-UHFFFAOYSA-N
-81ECA30E45827162_3981D7BCA224432A_6036_UN,C1(CCN(CC1)C2=NN=C(C=C2)Cl)N([S](C)(=O)=O)CC3=C(C=CC=C3)Br,PWALPHSCKYRIHV-UHFFFAOYSA-N
-828BFA821B2F8CDA_ABB0EC31349210A2_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3=NC=CS3)(=O)=O)C4=CN=CC=C4,XJWBQFFBDOTEEK-UHFFFAOYSA-N
-85CA1276725C6B85_41BE9AB5C0F524F6_6026_UN,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC=C(C3=C[N](C)C4=C3C=CC=C4)CC5,AZNIBEANLMJHBP-UHFFFAOYSA-N
-88F917EF41AC1A62_A5B2E97C4D2F853F_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)NC3=C(CC)C=CC=C3C,PIOTZGQRVOOURE-UHFFFAOYSA-N
-895F9012B6230299_33BE99079FB5D67F_6029_UN,C3=CC1=C(C=C(C=C1)C2=COC=C2)[N]3[S](C4=NC(=NC=C4)C5CCC5)(=O)=O,WFSCCBXUKDHWQM-UHFFFAOYSA-N
-89FD681C53F25086_1B18797E21DEB353_6029_UN,C1CC(=CCN1[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O)C4=NC=CS4,SAOCGYNKWUTNFB-UHFFFAOYSA-N
-8B837C1B5C4F32DB_F635DBFF52E5ED7A_6041_DP,C1(=NC(=NC=N1)C2=CC=CC=C2)NC3(C(OC)=O)CNC3,ZYLOOSIRGDZULK-UHFFFAOYSA-N
-8BCB016DB0348C48_297C244C0CDBAAD1_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3(C(OC)=O)CC3,NQSUFJGMZSNPEU-UHFFFAOYSA-N
-8BFFAEF92DC9DEE8_9BD21F6982216029_6039_UN,O(C(C=C)C(=O)O)CCCOC1=CC=C([S](Cl)(=O)=O)C=C1,JNJFHIQVQGYLNY-UHFFFAOYSA-N
-8D37FC9E8B0F6B69_98237E8729FE6A4A_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C(C)=C3CC3)=O,JOAODCYGOCJHKQ-UHFFFAOYSA-N
-8D6B7765C598F148_730BDD6EAF262087_6027_UN,CN1C(=NCC1)C2CN(C2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,KBMSRGGGUXHMDI-UHFFFAOYSA-N
-8D6B7765C598F148_730BDD6EAF262087_7015_UN,CN1C(=NCC1)C2CN(C2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,KBMSRGGGUXHMDI-UHFFFAOYSA-N
-8D6B7765C598F148_AB73D29139C378E2_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=CC=C([N]3N=C(C)C=C3C)C=C4)(=O)=O,KBMSRGGGUXHMDI-UHFFFAOYSA-N
-8DBF3A9ADC9F96CA_66962B7482558A09_6029_UN,N(CC1=C(N=CC=C1)[N]2C=CC=N2)[S](C3=CC=C(S3)C4CC4)(=O)=O,GOAFKVKSQNVAOE-UHFFFAOYSA-N
-8E743AFD74D98B11_DCF63E45A78AF6BD_6038_UN,N(C1=CC(=CC=C1)N2N=NNC2=O)C(C3(C(N(C(C)C)C)=O)CC3)=O,PWUPBQABIJVDSW-UHFFFAOYSA-N
-907218A7E4091013_610BCC701721AC25_6043_UN,OC(=O)C1=C(C=CC=C1)[N]2C=C(C=N2)N3CC=CC[S]3(=O)=O,GPHXLZGBQVGIRD-UHFFFAOYSA-N
-907B4C1E281840A8_B88EE1F11F4561AF_6038_UN,CC1=CC2=C(C=C1)OCC2NC(CC3=CN=C(C)C=N3)=O,YCPMPLPFHMKSRH-UHFFFAOYSA-N
-9086AFF442070B47_403EA90EC1ECA981_6041_UN,C1(=CC2=C(C=C1)COC2)NC(C3=NC=C[N]3C)C4=NC=C[N]4C,WRNFVOCBRQPHME-UHFFFAOYSA-N
-90A68811D2EA4D46_C8CEC6EB92CCD481_6028_UN,C1CC(CCN1[S](C2=NC3=C(C=C2)C=CC=C3)(=O)=O)C4=CSC=N4,UGCSLSAWKFXVQU-UHFFFAOYSA-N
-90EE2413A5416FC9_21FC9CE7C1BD11EA_6029_UN,CC1=C(C=CC=C1)C2=CCN(C2)[S](C4=C[N]3N=CN=C3N=C4)(=O)=O,SVZSUVVLEJLAKE-UHFFFAOYSA-N
-92029031403E3240_8BFE264B7B549087_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CN=CC=C3)NCC4CCN([S](C)(=O)=O)CC4,BFFICPCMPSKLDW-UHFFFAOYSA-N
-928E4BDB5BA396E3_60553C2AD866701B_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C)C=C3)[S](=O)(=O)N4CCCCC4,DSWMJPQOZWYKNW-UHFFFAOYSA-N
-93C7D7849257FF55_580909AF2DE80D9B_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CC(=CN=C3)C4=N[NH]C=C4,MAMIWCQOCNSCNG-UHFFFAOYSA-N
-93D85573156D1384_D1175E9CB85AFAEC_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,QFTSRXUQSDOYGX-UHFFFAOYSA-O
-948ADEB1DE7CEB3B_24FFC60C9A559F68_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CC=C(C3=C(C)C=CN=C3)CC4,QXYVVPXVGKAPCB-UHFFFAOYSA-N
-9848D8CE799BC5B7_4E8D548715886069_2875_UN,O=[N](=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3=C([N](N=C3C)C)C,WMWCKHPNXRCTKD-UHFFFAOYSA-N
-9869AD5CBA5D983E_4E992B0F69AF5640_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C3=NN=C(C)C=C3)=O,XBSPGBCJPDMZLX-ZDUSSCGKSA-N
-99A87A5D2467BCF4_62E1F854A632E033_6029_UN,C1=CC(=C[N]1[S](C2=CN=C(N=C2)C3CCC3)(=O)=O)C4=NC=CC=C4,CVRKIORLLTVHPL-UHFFFAOYSA-N
-9C8BE3FC699C7406_DC451E263361532D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(C(OC)=O)COC3,HSYGDFQATCOMGF-UHFFFAOYSA-N
-9EEF9A7A09CD996F_1E52032E11FB3FFA_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C4=C(C(CC3)=O)C=CC=C4,WSPLJBCSQFAGJF-UHFFFAOYSA-N
-A0962285CF65CB52_A9A765FFFE499638_6038_UN,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(C3=N[N](CC)C(=C3)C4CC4)=O,DBFANDXAGVQHNO-UHFFFAOYSA-N
-A3337DB176602C18_358CABAD18C995E6_6041_DP,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(C(OC)=O)CNC3,IDELIJCZLLAHPN-UHFFFAOYSA-N
-A483A1D22281C34D_DA11A16608A9ECCB_6038_UN,N(C1=CC(=CC=C1)N2N=NNC2=O)C(C3CC(C(OC)=O)(C)C3)=O,VLWXAQLZNZNSQT-UHFFFAOYSA-N
-A4F035A227056C1E_C9177B0AA16A45AB_6041_UN,OC(=O)C1=C(N=CC=N1)NC2=CC(=CC=C2)CN3CCOC3=O,VOCXVUCVXZTQKX-UHFFFAOYSA-N
-A518FE000A5FC7EE_B4B151BEA5CFEB8C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CC(N(C(OC)=O)C)C3,JFAMESVKPNGNLJ-UHFFFAOYSA-N
-A535F3DEF023EC1C_09EA5649862C3C8C_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CCCCCC3)C5=C4C=CC=NC4=CC=C5,GWRABKQOFAOTTG-UHFFFAOYSA-N
-A75B7105367DED95_69D0957C71CB4AA3_6038_UN,N(CC1=CC(=CC=C1)N2C(CC2)=O)C(C(N(C)C)=O)=O,MAGRMGLXIYTPLL-UHFFFAOYSA-N
-A78C98D366843362_C4751BB097C39D3D_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3CN([S](C)(=O)=O)C3,PXGDHAXXEQQAJF-UHFFFAOYSA-N
-A846F6F54E1890C7_BA46D9AA64248C0D_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCN(CC)C)=O,PFALIRWNEBYJRY-UHFFFAOYSA-N
-A8CFE2C9EC99698C_B36995299C2877D3_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=CC=C(OC3=NC=C(C)C=C3)C=C4)(=O)=O,CZXRUUWBYGBULK-UHFFFAOYSA-N
-AB59F5A32BB679D6_4A2555FC2885344C_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CN(CC)C)=O,KVQCXDBRZHXNOR-UHFFFAOYSA-N
-AC5395F980AE9EDB_812FE4A6B58DC643_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C(CC)=C)=O,XCUZTYWZGMGDFT-UHFFFAOYSA-N
-AD28040BE13B75CB_0C7ECB3CB4C78AE7_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3C2=CC=CC(=C2OCC3)CC,RAVXONNRLTVKLV-UHFFFAOYSA-N
-ADB6826A61DEE4D5_EC9AD4183B0247E4_6038_UN,CC1=C(C=CC=C1NC(CCCN(C)C)=O)N2C(=O)CCC2=O,LFXXMCXAPIZMIB-UHFFFAOYSA-N
-AE0D73472A51ABE6_FCFB7723230E1230_6041_DP,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(CC(OCC)=O)CNC3,GGYNTWMFICQASC-UHFFFAOYSA-N
-AFFB2DEF4FB771B9_3CA655E2DCB7CD3F_6029_UN,N#CC1=CCN(CC1)[S](C2=C(C=CC=C2)C3=NC=NO3)(=O)=O,IXXHSBJKEFZVQA-UHFFFAOYSA-N
-B2F01EB5777E2E85_4341AB02EED07BB6_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(CC)C=CC=C3C,JPMKSCQCNSYETI-UHFFFAOYSA-N
-B31DFAF79C18C389_9FF1A017679E3C49_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,NRXHJUZRQPOERS-UHFFFAOYSA-N
-B50CB2E39F07440E_F498C44BC2270103_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC(=C(C)C=C3)C4=NN=N[N]4C5CC5,BQGFKRQAQDIPAQ-UHFFFAOYSA-N
-B5180BEA840524E6_795224359B86E09C_6038_DP,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C(CCNOC)=O,BIUUUOYFCSDIRD-UHFFFAOYSA-N
-B7552E829E3C7FE2_CFDE7BF10CB15DBC_6029_UN,C1CC(CCN1[S](C2=CC(=CN=C2)[N]3C=NC=N3)(=O)=O)C4=CSC=C4,AUVMTSYSEWIZCJ-UHFFFAOYSA-N
-B811B37ABD43E493_D86DA343A7BD6B00_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4=C[N](C3=C[N](C)N=C3)C=N4)=O,ZDIZXHNROCTKFA-UHFFFAOYSA-N
-BA0DE1EFEA6C836B_13EFDC8D2259E06C_6026_UN,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N5CC=C(C3=C[N](C)C4=C3C=CC=C4)CC5,ASIFTAXBCGRALY-UHFFFAOYSA-N
-BA8B74882ECC9878_B01957BD9453B5C0_6038_UN,CC1=C(C=CC=C1NC([C@H](CC)N(C)C)=O)N2C(=O)CCC2=O,XZWPJRGLFVDUJI-ZDUSSCGKSA-N
-BBB131E97DCC7729_7EC138A1E9AD359A_6043_UN,OC1CN(C1)C2=NC=C(C=C2)N[S](=O)(=O)C3=C(C=CC=C3)C4=CC=CC=C4,BOLUZARSVZSASZ-UHFFFAOYSA-N
-BCC975DA98581F18_40C5E9FF74724D98_6038_UN,N(C1=CC=C(C=C1)CC2=NN=N[NH]2)C(C3(C(N(C)CC3)=O)C)=O,PGTVGGQJAFFXDX-UHFFFAOYSA-N
-BD07C458DEBDD41F_E5BA3E9634166001_6041_UN,C[P](=O)(C)C1=CC=C(C=C1)NC3CCC2=C(C=CC=C2)C3,SXOLXPIHAUIEEG-UHFFFAOYSA-N
-BE24A003B9FC5DA7_B4B3368F613C9F46_6038_UN,CC(OC(C1=CC=CC(=C1)OCC(N(C)C)=O)=O)C2=NN=N[N]2C,KNCHCKLBSJJOFP-UHFFFAOYSA-N
-BF64CA1785D9A234_1B7C71B94428C2B6_6038_UN,N(C1=CC(=C(C=C1)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,JVACHWPCFANITP-UHFFFAOYSA-N
-BF974E279DE658A2_0E3069A54C48B251_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=NC(=N3)C)=O,SNIICUUMDSZOKG-UHFFFAOYSA-N
-C2146DD85C73A214_71F021376DDC0A45_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(F)C=CC=C2Cl)(=O)=O,ICMLHXBINDQEPW-UHFFFAOYSA-N
-C2C1A17A0220A90E_E60A5D18FC683BA1_6028_UN,C1CC(CCN1[S](C2=CSC=N2)(=O)=O)[N]3C=C(C=N3)C4=CC=CC=C4,XVRXCFMNKAUKAB-UHFFFAOYSA-N
-C439B07D0674DDA0_C436CE28AE775C85_6005_UN,CCOC1=C(C=CC=C1)C2=CC3=C(C=C2)C=C(O)C=C3,QFPMGDXHAQCKBY-UHFFFAOYSA-N
-C4A497BB1F61A2DA_E1CD8C86022D62C1_6029_UN,C1=CC(=N[N]1[S](C2=CN=C(N=C2)C3CC3)(=O)=O)C4=CC=CC=C4,RVWLGUNGHSXUHU-UHFFFAOYSA-N
-C5DBD60C40EB0AF1_B10DDE28C180331B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C=CC=C3)N4CCCCC4=O,QTRSXERLZUZZDH-UHFFFAOYSA-N
-C60A51EAA5B0FDE2_80759DA5586D11B6_6038_UN,CC(NC(C1(N(C)C)CC1)=O)C2=CC=C(C=C2)C3=N[NH]N=N3,MIBXUODJEHQJGA-UHFFFAOYSA-N
-C671696F19B6B029_ED1AB13BA1F001C0_6038_UN,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C(C[Si](C)(C)C)=O,HJSJSZLLNQOEAU-UHFFFAOYSA-N
-C821BE2415E87E2B_D3665BC9D79720FE_6029_UN,C1CN(CCN1[S](C3=CC2=C(CCCC2Cl)C=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,OLYSRJPFDBDFFF-UHFFFAOYSA-N
-CDA743B843840251_94768D8BCEF8DAA2_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCCC)=O)=O,OQBMKPZZKLOEDM-UHFFFAOYSA-N
-CEFCF7023B3E68F7_3A3206E99BC50035_6041_UN,CC1=C(C(=CC=C1)NC2C3=C(OCC2OC)C=CC=C3)C,XVOVZJGGBDWCMS-UHFFFAOYSA-N
-CEFCF7023B3E68F7_80898659585913CE_7022_UN,CC1=C(C(=CC=C1)NC2C3=C(OCC2OC)C=CC=C3)C,XVOVZJGGBDWCMS-UHFFFAOYSA-N
-CFD0FD65FAFBE787_589EE29CB0AF3008_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC3(C(OC)=O)COC3,JWDKJQOXVNESIC-UHFFFAOYSA-N
-D2323FBC64460CFD_543F4C27E4925225_6038_UN,N(C1=C(C=CC(=C1)N2CCOC2=O)F)C(=O)C3=NNC(=O)CC3,HHLUGILWHYBCNK-UHFFFAOYSA-N
-D30C8A4232091EB4_8FCDA8AAE74532BF_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC2CC(C)(C)OC3=C2C=CC=C3,SNYIKNDZWKMUPW-UHFFFAOYSA-N
-D49424CF597F12F4_851EEFC6DF14932E_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NC3C2=C(C=C(OC)C=C2)OCC3,ULGRKVGVAMFWND-UHFFFAOYSA-N
-D4C261C50451D5F6_CA78D4D661D2F15A_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC3C2=C(C=C(OC)C=C2)OCC3,KEPSXTFRDHIYHT-UHFFFAOYSA-N
-D55A8F56BB0E8534_DB64C900305226FC_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(C(OC)=O)CC3,UOZBZDVMFFMXEY-UHFFFAOYSA-N
-D5F8F3097372F05E_5F3CE4931D20457C_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCC)=O,DVDCNADDEVCKDA-UHFFFAOYSA-N
-D62988E7D4A2FBDC_4C472C776ED6DBE2_6029_UN,C1=CC(=N[N]1[S](C2=CC3=C(C=C2)[N](C=N3)C4CC4)(=O)=O)C5=CSC=C5,XQLIHZRXWPTTMD-UHFFFAOYSA-N
-D6339711886D1118_2EBAC7EFB02A7E53_6038_UN,N(C1=CC(=CC=C1)N2C(=O)CCC2=O)C(C(CN(C)C)=C)=O,CBQSENYLMXCMIL-UHFFFAOYSA-N
-D859D7F4568CA3BC_30EE31761368E13C_6041_UN,C1(=NC(=CC=C1)C2CC2)NC3=C(C(CC)=O)C=CC=C3,AXGAEVSWTOZTPQ-UHFFFAOYSA-N
-DC8DB906435C39BF_51EEFBB9797BF055_6041_DP,OC(=O)C1=C(SC=N1)NC2=CC(=CC=C2)CN3CCOC3=O,FSKXZGPQIPDNSW-UHFFFAOYSA-N
-DCDAF5B3BAD6BE82_5DD04B4F49B36182_6038_UN,CC1=C(C=CC=C1NC(CN(CCC)C)=O)N2C(=O)CCC2=O,HSRXDVYZMQQMOQ-UHFFFAOYSA-N
-DF9CCBF9A3E10191_16C99372493AAFD8_6029_UN,C1CC(CCN1[S](C2=CC=C(C=C2)C3=NC=CS3)(=O)=O)C4=NC=NC=C4,KRPKWFGYWMXWHR-UHFFFAOYSA-N
-E013A4E672AA6176_9AB3C45A38C0A63E_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,JRCRVBJZFMHRSL-UHFFFAOYSA-N
-E0599F5148C43607_7892F7732807C587_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(OCCN(C)C)C=C2)(=O)=O,NOBVAHGQWVYFMX-UHFFFAOYSA-N
-E26A7F74BF424ED7_662EF06666E2CDA3_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=CO2)C(C3ON=C(C(OC)=O)C3)=O,UHPSDOCVBXOMKB-UHFFFAOYSA-N
-E5534C09605BD03E_E11439BDB0F77F33_6038_UN,C[C@@H](NC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)CC3=NN=N[NH]3,GIWQJAVJDQITCI-MRVPVSSYSA-N
-E58E20A0112E7722_4D91067831D18735_6026_UN,[S](=O)(=O)(C2=C1CCCCC1=CC=C2)N3CC(C)(C3)C4=CC=C(C=C4)Br,UODSXVAEPICFKE-UHFFFAOYSA-N
-E5D841BFF60E643A_007C6F36C09B2823_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCC)=O,PIKFXNFXQLQAEA-UHFFFAOYSA-N
-E60A93909779737A_DCB7D1B5A64E4C49_7022_UN,COC1=CC(=C(C=C1)N[C@H]2[C@@H](C2)C3=CC=CC=C3)OC,UZSKMMNWPJSOLM-GOEBONIOSA-N
-E6825147896E886A_D2A3E1346A3BEE57_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=C(OC)C=C3)C)(=O)=O,UGOVWMIGKHQORF-UHFFFAOYSA-N
-EADFDF462C8FF2FE_66320F6676774123_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CCCC3)C5=C4N=CC=CC4=CC=C5,UIAJCUXRZJCODW-UHFFFAOYSA-N
-EFD4530C6DF9EC4C_58C11878EB611097_6028_UN,FC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,MRKHOXYCPPZKDC-UHFFFAOYSA-N
-F06117E5BA59D24D_D9C68302C3001D3A_6038_UN,CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(C(CCN(C)C)=C)=O,CHWLILBTGBWOHV-UHFFFAOYSA-N
-F209593B4DA6930B_BFAB550B824CE2D6_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C(C)=C)=O,XEBNTDRSTQQQOM-UHFFFAOYSA-N
-F473A439D1A5C09F_AC80C3352A66E325_6038_UN,N(C1=C[NH]N=C1C2=CC=CC=C2)C(C3=CC=CC(=N3)N4CCN(C)C(C4)=O)=O,GNWKSKNQGNGTLB-UHFFFAOYSA-N
-F4F52405B97FDBFF_5397BEEC85279CD3_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,LXVOIYGJNCLZEK-UHFFFAOYSA-N
-F57982BF7D957AD5_2BA2491CB25A3A4F_6028_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)CC)(=O)=O,NFYGHGPHORSQJG-UHFFFAOYSA-N
-F669C96E73DD3913_47CB29BA9CD34036_6038_UN,N(CC1=CC=C[N]2C1=NC=N2)C(C3(C(N(C)C)=O)CC3)=O,MTDCICYWKPKKTD-UHFFFAOYSA-N
-FA5CEB442018D958_6E2653E8794FFFB1_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC2=CC=CC3=C2OCCC3N(C)C,CWCYLXMSLOVOKV-UHFFFAOYSA-N
-FBAB3AA9FD4CD456_6890CA42813E87E3_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)C(=CS2)Br)N(C)C3CCN(CC3)C5=C4C=CC=CC4=NC=N5,JFTMSBUNVVTGQX-UHFFFAOYSA-N
-FC5C2D854B721546_E0DC9B97A7C8A191_6004_UN,C2(=C1C(CCNC1=CC=C2)=O)C3=C(OC)C=C(C=C3)F,NVNBIPVJRSONGL-UHFFFAOYSA-N
-FC8724BC7B209B83_126380ADC8AE5517_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCC(N(C)C)=O)=O,UPAUAOXRGATMBB-UHFFFAOYSA-N
-FCF7348A0EEC0D35_AA7B89F9C89D0E34_6038_UN,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C3(C(N(C(C)C)C)=O)CC3)=O,IJPDSHUZXYVGIO-UHFFFAOYSA-N
-rxn:1:49457:8089,Cc1c(N2CCC(=O)NC2=O)cccc1-n1cc(C(=O)N2CCC(c3cc(O)nc(N(C)C)n3)C2)nn1,CQXFCXUKZVONSM-UHFFFAOYSA-N
-rxn:1:60314:10780,CCOc1ncccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(OC)c(Br)c4)C3=O)nn2)CC1,XAVDMXHVEUDCFF-UHFFFAOYSA-N
-rxn:1:60314:33381,CCOc1ncccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(OC)c(I)c4)C3=O)nn2)CC1,SHXOBSIHUNABNO-UHFFFAOYSA-N
-rxn:1:61139:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(C4CN(C(=O)c5ccc(OC)nc5)C4)nn3)C2=O)c1,WJTDBNOBTQFDLR-UHFFFAOYSA-N
-rxn:1:63192:10780,COC(=O)c1cncc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2=O)c1,LHSYOQCGXFOKOR-UHFFFAOYSA-N
-rxn:1:63192:33381,COC(=O)c1cncc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,RIKUFBXKZALJJF-UHFFFAOYSA-N
-rxn:1:63338:33381,COc1ccnc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,SXLGXIZBEXDRSM-UHFFFAOYSA-N
-rxn:1:65124:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5ccnc(Br)c5)C4)nn3)C2=O)c1,UPCOFCZSJCAUOF-UHFFFAOYSA-N
-00A8BC1B72F29DFC_1A7AF9975E3C9739_6035_UN,O(C(CC1=CC=CC=C1)C=C)C2=C(C=C(C(=C2)Cl)[S](=O)(=O)Cl)Cl,OAGCUDOMSRFJOC-UHFFFAOYSA-N
-016E812BC1565668_E6FA484630669725_6029_UN,FC1=C(C=CC=C1)[S](=O)(=O)N(CC=C)[S](C3=C(CCl)C=C2OCOC2=C3)(=O)=O,GKFQBENMNUKVDU-UHFFFAOYSA-N
-01AD8251DFA92AC8_4BC0C29944645BDE_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,CQSPQXWEQCCPIY-UHFFFAOYSA-N
-01B51F33AC1ECC16_F61F2B266E8D3118_6029_UN,N(CC1=CC=C(C=C1)CC2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,YCQNYVFRORUIRO-UHFFFAOYSA-N
-0393CC55C57DDBA1_E07D9CF92B615D89_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C[S](C(C)(C)C)=O,QQOMUUZUPDIQQH-UHFFFAOYSA-N
-042B6A0EEE108D05_7732477ABDCC5C11_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=CC(=C5)C)[N]6C=NN=N6)(=O)=O,NMSFXXIWEHSZAT-UHFFFAOYSA-N
-04438CA81F3ECDBD_A3369B4A68A7532A_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C6=C5N=C[NH]C5=NC=N6,SSXCLHKRGLBLCY-UHFFFAOYSA-N
-060FCA5D0270223F_9D0CB77C1CEC90FD_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,SDKSBRGLUULXQI-UHFFFAOYSA-N
-070C5AF40B1E1840_314A92A1E659E6BD_7022_UN,CC1=C(C=C(C=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C)F,JHYFWDSAEHKUEI-UHFFFAOYSA-N
-072F8135B0F6CA38_B10D9EDEF05E7665_6038_UN,CC1(C)CN(C1=O)C2=CC(=CC=C2)NC(=O)C3(CC(=O)C3)C4=CC=CC=C4,MAJZZCVZHMNOSE-UHFFFAOYSA-N
-08D775A9683EC843_5D422CBBCB84F006_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NCC3(N(C)C)CC3,JZGLRNDCZALMST-UHFFFAOYSA-N
-0929CE51DDCC671C_B2164224F506632C_6039_UN,CC2=C(OCC(NC1=C([S](C(F)F)(=O)=O)C=CC=C1)=O)C(=O)OC2,LKLWNFGNIQLOBS-UHFFFAOYSA-N
-0A380AFF64374995_5688E9B04AD6EA09_6041_UN,C1(=CC(=CC=C1)C#CC#N)NCC2=NN=C(N(C)C)[NH]2,GHASECSFOUOKNL-UHFFFAOYSA-N
-0ACFE30A8F1AD390_DFE6E85A239D118A_2267_UN,NC(C#CC1=N[N](C=C1C)C)C2C3=C(CC2)C=CC=C3,RZLARMRYMBFFQJ-UHFFFAOYSA-N
-0B9A5146BC4A045A_D23A6C769340D58B_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C[N](N=C5C)C6=NC=CS6)(=O)=O,YCSDMZRXGSLHPV-UHFFFAOYSA-N
-0D1E1351B7ADF17E_3F2DD4780C2CF33C_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,LGVOQUGSAIPQRJ-UHFFFAOYSA-N
-0E564313B4CB165C_A68D933262800E17_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CC5=NSN=C5N=C6)(=O)=O,AGQBRCQQQKLXGD-UHFFFAOYSA-N
-0EA4310BAD76DA86_A41FCD59F7AF7B71_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC(C)C2=C(C=CC(=C2)F)N3CCN(C)CC3)[NH]4,HENLSPDWMXBQAW-UHFFFAOYSA-N
-0FE3ED729E7ECAC7_9D449A2ECBE96921_6035_UN,CCC(OC1=CC(=CC=C1)OC2=CC=CC=C2)COC,ZOEVUPGFGYDQLK-UHFFFAOYSA-N
-1135AFD3B8AE1BD0_32BA5D2DBD42AE71_6029_UN,N(CC1CC(O)C1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,AIICPPKQEYBUOQ-UHFFFAOYSA-N
-1209FFAAE8CF478B_DF256E043C35689F_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(N3CCNCC3)C4=CC(=CC=C4)Cl,XIOSCAAKEWCIRR-UHFFFAOYSA-N
-17C972E562351084_DD584FFFBCEA2BB1_6034_DP,OC(=O)C2=CC1=C(N=CN=C1Cl)[N]2CC(N5CC3=C([N](C)C4=C3C=CC(=C4F)Cl)CC5)=O,JRSQHBMVDDGWIX-UHFFFAOYSA-N
-18C25AB4B73FD2A4_94BDFE179F6261AC_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC=C(C)C,GVEQZGCYAYIPJJ-UHFFFAOYSA-N
-195A4F2634353987_DAC7FB2E27CE8237_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCNCCN(C)C,HNPHKNDNKUAMBI-UHFFFAOYSA-N
-197A4930B0B90FAB_B3B143CC1F3CFE99_6041_UN,CC1=NC(=C(C)[N]1C)NC3C2=C(C(=C(C)C=C2)C)OC3,PCNPLJSUOZVPMT-UHFFFAOYSA-N
-1AF40548E67CD43E_B0B9E613B051EF12_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCOC3=CC(=NC=C3)Cl,DYYWIJVKGHQIHY-UHFFFAOYSA-N
-1B049AEC0F87FF9B_BBF373EB10C1B963_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC2=CN=C(OC(C)C)N=C2,FBYZPXQNUZCRHG-CQSZACIVSA-N
-1B04D805AF59DEA0_8854E9BAE83CDF87_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](N)(=O)=O)C=C2C#N)CC3)C=CC=C4,GRISLZUPUWJLLY-UHFFFAOYSA-N
-1D28450906BBB985_B059F3D3BBF8B643_2875_UN,CN3CCN(CC[N]1N=NC(=C1)C2=CC=C([S](F)(=O)=O)C=C2)CC3,CGCUDYNPWHYQOY-UHFFFAOYSA-N
-1D869D5F730CCF5F_82B0E1184BF6296C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)N2CCOC2=O)NC3=C(C)[N](N=C3)C[Si](C)(C)C,RSOAVOREPIUCEN-UHFFFAOYSA-N
-1DF8D67626EF246B_C98A42C4F6D0D3A1_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C(C)=C)C=CC=C3)(=O)=O)C,NTFHZEGUXWXIQK-UHFFFAOYSA-N
-1EBDD8AA543B7C03_4ECDA45FEEEACD18_6041_UN,CCOC1=CC=C(C=C1)[N]2N=NC3=C2N=C(N=C3)NC4=CC5=C(C=C4)B(O)OC5,ONFPNJAHKPQOCC-UHFFFAOYSA-N
-208F9ADC90B17F96_31EC11643D5A1EC9_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(NC=C(Cl)Cl)=O)C=C2,LFAJZKSSRVYURR-UHFFFAOYSA-N
-261350B4816EB2DB_2E413D6703761315_6038_UN,O(C(C#N)C1=C(C=CC(=C1)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,GIJGKBYPKVXOBX-UHFFFAOYSA-N
-27B7184E56A94CA6_0336C6E0F447E8BD_6006_UN,CC3=CC1=C(N=C(N=C1C2=CC=C(OC(C)C)C=C2)C)S3,SIDXDXZCXDGUNK-UHFFFAOYSA-N
-2AA08791BFF84E78_B72E502E1B6BD3C8_6034_UN,CNC2=C1N(C=CC1=NC(=N2)Cl)CC(CC(CC)N)C,VCXBSTDSOVAALD-UHFFFAOYSA-N
-2BF4F1302C2D51A5_FCC5B16892C49697_6038_UN,CCOC(=O)[C@@H](NC(C[N]1C=C([S](N)(=O)=O)C=N1)=O)COC,DDIXLYRPTBDCOO-VIFPVBQESA-N
-2D11077585B67E83_C8A7D3ED63F9B9C2_6038_UN,COCCC(OC(=O)C(=O)CC1=CC=CC=C1)C(C)C,SYWZNLKMUWFGNL-UHFFFAOYSA-N
-2D6EF3869C14BA75_FED29A91C2780A02_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC(=C(C(N3CCN(C)CC3)=O)C=C4)C)(=O)=O,ADKDTPFDLWYSFF-UHFFFAOYSA-N
-304ED2D3437DF356_0718E1A4542ED0EC_6038_UN,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C(CCC[Si](C)(C)C)=O,OXFXPWMGXIXGFO-UHFFFAOYSA-N
-30D9774111BD08CA_20DF04B26F153952_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(OC)C)=O,PKCDPUOPALNBQI-UHFFFAOYSA-N
-312BD57F36F0923D_780A16FC574AE14A_6026_UN,FC(F)(F)C1=CC=C(O1)[S](=O)(=O)NC2(C(OC(C)C)=O)CCC2,NURDZXZJNVIJBB-UHFFFAOYSA-N
-32452305F77FD1ED_45429065EF55AA87_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC34CN2CN(CN(C2)C3)C4,OHMWAUPEFIZYFF-AWEZNQCLSA-N
-32452305F77FD1ED_DC2A84D6D028AC0B_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC34CN2CN(CN(C2)C3)C4,OHMWAUPEFIZYFF-AWEZNQCLSA-N
-32473124D37DFD1C_3664D9E0640BA0F7_6035_UN,CC(OC1=NC4=C(C(=C1)C3=NC2=C(C=CC=C2)S3)C=CC=C4)C[S](=O)C,GSPRVVHESAYRKH-UHFFFAOYSA-N
-353029F3AF39310E_5B0D250F915D9353_6029_UN,O=[N](=O)C1=C[N](N=C1C2=NC=CS2)[S](C4=CC=C(C(N3CCN(C)CC3)=O)C=C4)(=O)=O,JXIUQLFAXQITLC-UHFFFAOYSA-N
-35468895A0011871_04CC6DD287150B58_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)NC3=C(C=CC(=C3)C)O[Si](C)(C)C(C)(C)C,OGNBINULJDROAG-UHFFFAOYSA-N
-379F58B9EB3294F1_4DE3913C502419DC_6041_UN,CC(C)C1=NC(=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,TXUSVKAEVUTKQI-AWEZNQCLSA-N
-37BABD67680B0D2B_BDC0DC9FA5F2CE76_6038_UN,O(C1=C(C(=CC(=C1)F)Br)F)C(C2=N[NH]C(=C2)CCCCC)=O,FFQDMNKSOCXDPS-UHFFFAOYSA-N
-3D1486A51FD44993_E28D9A4D902686C4_6029_UN,N(CC1C=CCC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,QRUJSLCDFNEPKY-UHFFFAOYSA-N
-3DA1E7F564CBEEAF_6146E5CBEEC25E8C_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=CC(=[N](=O)C=C2)Cl)(=O)=O,REMMPOGAOGVTRM-UHFFFAOYSA-N
-3E776E37806E664B_BC5C8B0445D7EAB9_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,YCMOLKGPONEOSY-UHFFFAOYSA-N
-3F1527E316E074F6_D13C663843D5F94E_7019_DP,CC(C)(F)C1=C(C=CC=C1)C=CC2CCC(CN2)(C)C,UBVRATIVOTVLDZ-UHFFFAOYSA-N
-41BC78A3F587FCA4_493911544AC48FF9_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F)C(C)(C)C,FXTIJDLTLSLCQL-HNNXBMFYSA-N
-438BEC4158565E36_93E70506A43632A5_6038_UN,CCC(COC(C(OC)C1=CC=CC=C1)=O)C(=O)OC,DIORUYILFIGZLY-UHFFFAOYSA-N
-4450B27EFC57CA89_AB7BB34F1151715D_6041_UN,CCN(CC)C1=NC(=NC=C1)NC3=CC2=C(C(C)COB2O)C=C3,QIBLWQPYQBGZLU-UHFFFAOYSA-N
-448120E27E644E06_94D108A42FE27407_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)OC3=C(C=C(C)C=C3)[S](=O)(=O)O,YKONYGNDDCVEST-UHFFFAOYSA-N
-469404E8F20063CA_54B55B1C470B7580_6031_DP,CC(=C1CNC1)C(=O)OCC2=C([S](C)(=O)=O)C=CC=C2Cl,NXTDQHHOGUIWLQ-UHFFFAOYSA-N
-47CDC13F1CAA67F6_D252375B9A2A645B_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4)F,CVVLXDVVRAWKJM-UHFFFAOYSA-N
-4B74685DB9626DCF_51551F501F0B8941_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4CCN(C3=CC=C(C(C)(C)C)C=C3)CC4)F,RXVJJYFKEGGEEH-UHFFFAOYSA-N
-4C075B295723F962_B193EB5D9A095FCB_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(C)CC(C)(C)C,JHBAPHGGBFUKCR-UHFFFAOYSA-N
-4D4D216F8E8E1595_5BC6ADDB88EF97D4_6029_UN,CN(CC(C)(C)CO)[S](C1=CC(=C(Cl)C=C1)OC2CC2)(=O)=O,XKGLXTJBYQYZOK-UHFFFAOYSA-N
-5135AE24529D2991_B8F2A8B6D349033F_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2CC3=CSC(=N3)C(C)(C)C)C4=O)N5CCNCC5,KIOXKQRKLZDJEC-UHFFFAOYSA-N
-52FCA487A9FB7D0A_C8964534046AB57E_6026_UN,O=[N](=O)C1=CC(=C(N=C1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,XAVYBGMRHZFYFP-UHFFFAOYSA-N
-53671D3987D107DC_69038199C839674E_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C)C3=C(C=NC=C3)Br,ICVAEWYHXYKKSO-UHFFFAOYSA-N
-53D0E568B6856024_88A013EBF8E4B1A4_6038_UN,N(CC1=CC(=CC=C1)N2C(CCCC2)=O)C(C4=CN=C([N]3C=CN=C3C)C=C4)=O,FMGGJOMPKLDVQX-UHFFFAOYSA-N
-54D2B5618EDCA8BC_DD01CFC508FE1ADF_6026_UN,FC(F)C1=CC=C(O1)[S](=O)(=O)NCC2CC(C(C)(C)C)C2,RTTMJIQBXRPPBQ-UHFFFAOYSA-N
-56C211254435CA03_02FDDA2A7B883560_6038_UN,N(CCCC1=CC(=C(C=C1)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,HHDWFGACGBIIFV-UHFFFAOYSA-N
-596E49824B8A4165_A86C9B11A2B678A0_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCCOC3=NC=C(C=C3)Br,ZOCRMPXEOIOBCP-UHFFFAOYSA-N
-5978547BC6AAF19F_84F76E796B5007E4_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=C(C(C)F)C=C3)(=O)=O,AFOINZZRTFWCNL-YUZWYKEKSA-N
-5F63DBF468898C29_1FED9A87E51E5314_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CN=C(C=C2)N3N=C(CC3=O)C4CC4,ACGNNVOHVJBCFE-UHFFFAOYSA-N
-633862E84814CB76_35E3F47824164F8F_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3)N4CCOC4=O,UPWGFNOZZXVPCJ-UHFFFAOYSA-N
-644BDF2C6717A1DB_FCD47373E52CD46B_6038_UN,N(C1CC(NC(C1)=O)=O)C(C=CC2=C(OC)C=CC(=C2)C)=O,QHRWKPQETSEKAG-UHFFFAOYSA-N
-64CBD388FB0B1674_F65D10B6703EDE92_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NC(C)CC3=C(C=C(C=C3)N(C)C)C,FRPJKMMYQYEZLJ-UHFFFAOYSA-N
-682AA77B8EA72CDA_36454A9E97B032B1_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCC(C(C)(C)C)N,GPKTTYHDCUFPLG-UHFFFAOYSA-N
-69351EAEC3E116E5_C7740D07924B404A_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C)C=CC=N2)(=O)=O,FDBCNRQHOMCEAG-UHFFFAOYSA-N
-6A7D2F1ADD425AD8_1E344CF9E57BA82F_6041_UN,FC1=CN=C(C=C1)C2=N[NH]C=C2NC4CCN(C3=N[N](C)C=C3)C4=O,YUHPAXQVKPVPJP-UHFFFAOYSA-N
-6B5EF495E42D03A5_8977AABC4A43E261_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(CN(C)C3=C2[NH]C=NC2=NC=N3)=O,URNNDQZCOBGDCI-UHFFFAOYSA-N
-6B8A04D7FCF97016_B65FD36E5782150E_6003_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C3=CC=C(C(OC)=O)C(=C3)OC(F)(F)F,AUXAAVYKVZARQU-UHFFFAOYSA-N
-6C86A207B97D7550_7E74C8AD8385098F_6029_UN,COC1=CC=C(C=C1)CCN[S](C2=CC=C(OCCO)C=C2)(=O)=O,HUEAVWHGZMDNJK-UHFFFAOYSA-N
-6DB7EA1E27F34AE3_981F1B006FF1BDE2_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NCC23CN(CC2)CCC3,JAGHSNNRSMOEOS-VYRBHSGPSA-N
-6EA32A5C3A8A3924_D98994BCFA91C4DB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)ON=C3Br,ZHGJYWDZQZFQAO-UHFFFAOYSA-N
-6F01482C1001DD97_F4848E07AB34B3C4_6003_UN,CC2(F)CC(COC1=CC=C([S](C(C)(C)C#N)(=O)=O)C=C1)C2,KOSXZSLSTAVQCG-UHFFFAOYSA-N
-7064058FF822A44D_43140F7BD854DFDF_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=[N](=O)C=C3)(=O)=O,OKYHDTCYQNQVMV-UHFFFAOYSA-N
-707027E720DC73EC_A5BEBB1F0C4BDA05_6041_UN,CC(C)[N]1N=NC2=C1N=CN=C2NC(CCCOC)C(=O)N(C)C,JVHWGHIYVOPZKR-UHFFFAOYSA-N
-70B055881949B779_C64B922043AD460D_7005_UN,CC(C)(C)C1=CC=CC2=C1[NH]C(=N2)CCC(C)(C)C#N,MKARNZUAHHDQHA-UHFFFAOYSA-N
-71A430B85B8DAC10_97521D3041FA4FE3_6034_DP,BrC2=C1N=C[N](C1=NC=N2)CC3(CC(OC)(C3)OC)CN,RQIOSXCCNCJMTL-UHFFFAOYSA-N
-720C032C1E8F217B_E35D7871A46F8923_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C[N]2C=C(C=N2)C3CC3,SVHKZBKVCRSADQ-UHFFFAOYSA-N
-72B0BF0B09030C87_60B9AF5E44AABA63_6038_UN,CC1=NC5=C(C(=C1)N4CCC(OC(=O)C2=C(C=CC(=C2)N3CCOC3=O)F)CC4)C=CC=C5,DESWRGAOOKCRLP-UHFFFAOYSA-N
-72BFCDA092DDCEA1_89EF513608DC5331_6029_UN,OC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,OBEQOEYUQAKCSL-UHFFFAOYSA-N
-74988E6D24C2E5CD_ACF5B62E286F1CA8_6029_UN,O=[N](=O)C=C1CCCN1[S](C2=C(OC(C(C)(C)CCl)=O)C=CC=C2)(=O)=O,DRWFWFZZVFSSGS-UHFFFAOYSA-N
-74AA27E06FA1B098_55AAA183283788D6_6034_UN,CC(C)(C)C1=CN(C(=C1)C(=O)C(Cl)(Cl)Cl)CC3=NC2=C(C=CC=C2)[N]3C4CCNC4,QWZGXSSQZDOQMH-UHFFFAOYSA-N
-767933D832E202CC_BDE08A3CBF3C44EB_6038_UN,O(CCOCCOCCF)C(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2,TYJMETOVPKOSAF-UHFFFAOYSA-N
-7951B058CD316B1D_9A3769BEBAC5200E_6028_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)(=O)=O,RADNWUHRDUZXMB-UHFFFAOYSA-N
-7BB614389A9F5300_1FF5C8299888C2B4_6029_UN,CON(C1CCC1)[S](C2=C(CC(C)(C)C)C=CC=C2)(=O)=O,KHFLTKQTXHMJNM-UHFFFAOYSA-N
-7C0C69CEA162670E_DAD63E10FDF5CE00_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C[C@H](C(C)(C)C)N,KHXQKHCBLHZPQK-CYBMUJFWSA-N
-7C7D5A9A954B7ED4_19D202292A25F902_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4)F,AIAJGIZUHHEWOL-UHFFFAOYSA-N
-7DB29D885646D314_8BBAADF78E7581DE_6034_UN,FC(F)C2=NC1=C(C=C(C=C1)Br)C(=O)N2CC4(CC3=CSC(=N3)C)CCNCC4,XJDJFKANMOPARM-UHFFFAOYSA-N
-7E6E6468FC9AA425_6AF9DFEAD342CEF3_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=CC(=CC(=C2)Cl)Br)(=O)=O,XTNAKTZOWWMNTN-UHFFFAOYSA-N
-7F6831B32C4AA9E2_84E4696E3DA121E3_6038_UN,CCOC(=O)C3=NC1=C(C=C(C=C1)OC(CCCN2C(CN(C)C2=O)=O)=O)S3,FPIAEEBQLCEARX-UHFFFAOYSA-N
-7F9ED6E76AFCF103_74E01F291E6E9B6D_6034_UN,OC1=NN=C(S)N1CC(N4CC2=C([N](C)C3=C2C=CC(=C3F)Cl)CC4)=O,XEKJRZANWIPAQR-UHFFFAOYSA-N
-839628ACCCBC7735_D45884EC8F7AD1E1_6038_UN,N(CC(=O)C1=CC=C(C=C1)OCCF)C(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,CXAKBEPLMBPTDW-UHFFFAOYSA-N
-84113C39DA11D2FF_29B46296D09A2CDB_6039_UN,CCC(=C(N=O)C(=O)OC)OCC1=CN=C(C(OC)=O)C=C1,FLOCUEOEMVOPBH-UHFFFAOYSA-N
-858A9C108C38C8BC_14CBF259777E1F73_6038_UN,O(C1=CC(=CC=C1)OCC#C)C(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,GDGDJKHOGTYFOV-UHFFFAOYSA-N
-88B283B0A7DD7F6D_14B8FF2F9CB4F8F5_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=N[N](C)N=N5)(=O)=O,SDWWBYQERQGANU-UHFFFAOYSA-N
-892792E288A15BE1_0A6EB8F23DA348B9_6034_UN,C1NCCN(C1)C3=C2C(=NC=C2)N(C=N3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,OMLKUABTVIFZKP-UHFFFAOYSA-N
-8E556A70796EDB3D_DD0A953767E5C82A_6029_DP,FC1=CC=C(C=C1)C3=C[N]2N=C(SC2=N3)N4CCN(CC4)[S](C6=CC=C(C5(CNC5)O)C=C6)(=O)=O,JLXHVMZRIRNEKT-UHFFFAOYSA-N
-8E85236D6EF2B920_2B949F0B3B90B592_6038_DP,OC(=O)[C@@H](NC(C1=CC=C(C(OC)=O)[NH]1)=O)CC(=O)O,QBNFKXQGWCLHOP-ZETCQYMHSA-N
-8F0AB870198B0975_6E677CFB5FDB4E52_6031_UN,O(C(=O)C1=CC(=CN=C1)N2CCCC2=O)CCCC3=CN=C(C)C=C3,QRWDBVOAYOGVCM-UHFFFAOYSA-N
-8F4F151D6D918D14_71313F3220326471_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(C=C(F)C=C2F)F)(=O)=O,OOTOUIMPZOVGEX-UHFFFAOYSA-N
-917B2CF95509EBEC_77F0C7FF3E7AD173_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O,KGOVJBIMTPUBLJ-UHFFFAOYSA-N
-91A8945EB8F41301_7B93B96B846A06E2_6029_UN,N(CCCC1CCC=C1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,UMSKEGRJWMUVSG-UHFFFAOYSA-N
-92251FE0B698F741_13D59B0C52921F98_6029_UN,CC2CCN(CCCCN[S](C1=CC=C(C(C)Cl)C=C1)(=O)=O)CC2,MLECWSKJESTHGW-UHFFFAOYSA-N
-938710BFEC18928A_BEEE3EFAC55F4ECC_6038_UN,O(C1=C(C=CC=C1)C=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)Cl)F,JYADVMSRUPUAOP-UHFFFAOYSA-N
-9448ECCA315E9C18_98FF56269E182D1C_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCN(C3=N[N](C)C=C3)C4=O,OEAODBKOEWOFEJ-UHFFFAOYSA-N
-94998BD72E742F3B_E0615B935AEEC21F_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,FPYMIWMMYKPZOU-UHFFFAOYSA-N
-96DF7D8C5B55AE4D_4AACB8E60639D1F5_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)NC3CCC2=NC(=C[N]2C3)C4=C(C=CC(=C4)F)F,DMMFSFKXMGIJNI-UHFFFAOYSA-N
-96FC697DA609CB6E_4FED78FA2D3E0216_6041_UN,FC1=C(C(=C(C=C1)NCC2=NN=C(N(C)C)[NH]2)F)CC#N,ZSXYXOPRODFXOD-UHFFFAOYSA-N
-9746AC0B5314639F_8AA66CC51976D8A5_6041_UN,FC2=C(C=C1C=CC=CC1=N2)NC(C)CCC(C)(C)C,ITUCFMOTQXLBQN-UHFFFAOYSA-N
-989BFB2195A44AB4_D3DE5B95CE25E8A5_6038_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C(C3=C(N=C(C)C=C3)C4CC4)=O,OFXPPPFCPUAOSZ-UHFFFAOYSA-N
-996A3B42CFE9238D_973EEF09A595DD65_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CSCC3)CC(C4=NN=C[N]4C)N,CHELPRSNRIODGF-UHFFFAOYSA-N
-99E77A5C950D96B3_C01DEACC81B91982_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(CC(C(OC)=O)=C)=O,MIBCKWFQEGVAQP-UHFFFAOYSA-N
-99F937F19CE1CBB9_FDEF832851C2B3AD_6034_UN,CNC2=C1N(C=CC1=NC(=N2)Cl)C[C@@]3(CC[C@H](C)C3(C)C)C,HOXIAXGVDUYZMD-GTNSWQLSSA-N
-9C267AD91FC41520_6B08AD2DF15236CB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[N](C)N=C3Br,YFNVKHFELOKJBF-UHFFFAOYSA-N
-9E6B95845ECB9C4B_8D527423BC91C6D0_6039_UN,O(CC(F)(F)CC=C)CCOC1=CC=C([S](Cl)(=O)=O)C=C1,HAQNPUKSZMNCSC-UHFFFAOYSA-N
-9F01FAD52E51E188_009E6F918027E218_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4(N)C[S](CC4)(=O)=O,KJJORASTTJSVJE-UHFFFAOYSA-N
-A36127FFC0F43468_4BC46AAAF3677A7E_6031_UN,O(C(=O)C1=CC(=CN=C1)N2CCCC2=O)CC3=C(OC)C=C(N=C3)C,YYFLMUXGYGLKQU-UHFFFAOYSA-N
-A58C99474CE2BCD8_18468478CF45AAC5_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C(F)(F)F)C=CC=N2)CC3)N4CCOC4=O,VRTOMTYSOGYHNW-UHFFFAOYSA-N
-A7CF3FD63D942154_AB53F94EF9FFC417_6038_UN,CCN(CCNC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC3=CC(=C(C=C3)Cl)Cl,YHVFTQIGDZDIRY-UHFFFAOYSA-N
-A9B78DA6FB83777F_C5C5F6FD4632E7E4_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=C(C)C=C3)[S](=O)(=O)C4CCCC4)F,RAGRDQJIQJTBHW-UHFFFAOYSA-N
-ACEFAAA0814BB6E2_3B9B1C6792CF60D5_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,DLIGXIKZUVAIKR-UHFFFAOYSA-N
-AD90F668FF659CDD_199D1B7C1CE74619_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=C(F)C=CC3=C2OCO3)(=O)=O,HUGSWDWSFFPAJG-UHFFFAOYSA-N
-AF03AF018D47AF86_112CF9BCE685CE1C_6034_UN,CN4CCC1=C(C3=C(N1CC2=NC(=NS2)C)C=CC(=C3)Cl)C4,YNRAOZTVIGPLOP-UHFFFAOYSA-N
-AF222EBA2FBF15AD_D815CCA3E9FDC968_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C4=C([N](C3=NN=C(OCC)C=C3)N=C4)C)=O,BDKPJYKTVBOWHR-UHFFFAOYSA-N
-B1B83D1E76352A05_BC2D9F927D1853EA_6035_UN,COCC(OC1=CC=C(C=C1)OC2=CC=CC=C2)C(C)C,GQAMTUJUSMTTJE-UHFFFAOYSA-N
-B5F41ED68F18BFA8_B64CA492FD4813CF_6003_UN,CO[C@]2(C[C@@H](OC1=CC=C([S](C)(=O)=O)C=C1)C2)C(F)(F)F,YIOYTLSYAWICLM-KLPPZKSPSA-N
-B7EFAF6DD9C4A7BD_6DAAFB38D4D9B3DF_6034_UN,CN4CCC1=C(C3=C(N1CC2=NN=C(C)S2)C=CC(=C3)Cl)C4,FUKBQTOMTIZMII-UHFFFAOYSA-N
-B8EF16D26DA2D2B4_8D05DF30592B3C1B_2201_UN,CC(C)CC3COC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,IMNRJPLRQPTAHT-UHFFFAOYSA-N
-B97908DD9AD8D3CE_0B96175D686F2321_6029_UN,N(C(CC=C)C1=CC=CC=C1)[S](C2=C(CCCO)C=CC=C2)(=O)=O,KTPCVERKKJCOCO-UHFFFAOYSA-N
-BE35574D6F01CC91_20E24F7959B8080E_6038_UN,CCOC(=O)C1=C(C2=C(N=C1)C(=CC(=C2)C)C)OC(=O)C3=C(C=NC=C3)N4CCCC4,ODIUTYVGNYPWQD-UHFFFAOYSA-N
-BEC39636BD0DF2C6_89DF4C175179F135_6034_UN,CN4CCC1=C(C3=C(N1CC2=NC=N[N]2C)C=CC(=C3)Cl)C4,QTRXMYFUSQXMGT-UHFFFAOYSA-N
-C04406B605A3775D_A823252AAEFF0DDD_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,VMQJFCWIQWIELZ-UHFFFAOYSA-N
-C087C912AE2F818C_81BFB64B039BEF3A_2875_UN,IC1=CC(=CC=C1)[N]2N=NC(=C2)C(N)C3CCOCC3,FVVPWTANDGLUEG-UHFFFAOYSA-N
-C1EE22A3300B25CD_B9C0A5813D4C4F27_6034_UN,BrC2=NC=C1N(C=C(C1=C2)I)CC3=NC(=C(N(C)C)O3)C#N,SGNYXLADIPOAAQ-UHFFFAOYSA-N
-C331FEFCC5CFC47D_7415E261FB0E6378_6039_UN,CC2=C(OCC(NC1=C([S](C(F)F)(=O)=O)C=CC=C1)=O)COC2=O,YSLIPEBQZOGWEB-UHFFFAOYSA-N
-C393ED71E5A8CFBC_13C62ACFAA63150A_6031_UN,O(C(=O)C1=CC=C(S1)C2=N[NH]C=C2)CC(CCCCCC)C,YQVLBZYXTNIMFG-UHFFFAOYSA-N
-C4AB92A3E3C139B4_557145F5EA03BEBB_6038_UN,CC(OC(CC(CC)C)=O)C(=O)N(C)C1=CC=CC=C1,XFVZAXAJTPJOSJ-UHFFFAOYSA-N
-C64C81F6C41A3815_8800DA0BF891A415_6041_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)NC3CCC2=NC(=C[N]2C3)C4=C(C=CC(=C4)F)F,NNWNPLWRWXTGMY-UHFFFAOYSA-N
-C6EA2BAB763BA1D3_FA7C6AF4DAA5CDF2_6035_UN,CCC(OC1=CC(=CC(=C1)OC)OC)C2=CC=CC=C2,BFQRKEPWECEDHH-UHFFFAOYSA-N
-C85ED96EC61D5CEC_B87044A8D9AC54A1_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC(=CC=C2)N3CCC3=O)[N](=O)=O,WGHWYOPZEAFUHF-UHFFFAOYSA-N
-C98B219A309CD8CF_E7307DB945E52C8C_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)C=C(C=C3)[N]4C=CN=C4,UKIWTKXXJLSAJA-UHFFFAOYSA-N
-CA17B77F809586E3_3C716946E19CEA0B_2875_UN,N3=N[N](C2CCN(CC1=CC=CC=C1)C2)C=C3C4=CC=C([S](F)(=O)=O)C=C4,AEXREIVLMALJFH-UHFFFAOYSA-N
-CAB447CC1ABABA75_5977D4301E14E247_6034_UN,CN4CCC1=C(C3=C(N1CC2=C(C)N=NS2)C=CC(=C3)Cl)C4,IVTYQBOVHPJWNR-UHFFFAOYSA-N
-CD01149F202CABAA_6D166C901CA1261B_6003_UN,O(C1=CC2=C(C=C1)C=CC(=O)N2)C3=CC=CC=C3C(NC4=C(C(O)=O)C=CC=C4)=O,LOICEAIOTGMLFJ-UHFFFAOYSA-N
-CF27971399327649_D58EDDB27BB7970D_6035_UN,O(CCCN1CC(=O)NC1=O)C3=CC=C(C2=CCN(C(C)=O)CC2)C=C3,PRALMYNHCYFNDF-UHFFFAOYSA-N
-CF75F4D7EE9415D8_198F3B7593605B8A_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,MZAGSPWVULUYIT-UHFFFAOYSA-N
-D1B47E52ED8F5939_3767D4326163E14F_2201_UN,CC(C)[C@@H]3CC[C@@H](C)C4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,VTJSLKITLIHCTF-PBHICJAKSA-N
-D2C6BDDDC2B746E2_7C36AA749D694210_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NCC#CCC,VHDKQNKXCUJFPG-UHFFFAOYSA-N
-D61E723168680723_4AE6D83D0BAFE4A6_6041_UN,OC(=O)C1=NOC(=C1)C2=CC(=CC=C2)NC3=CC(=CC=C3)C4=NNC(C=C4)=O,UXBUAGLIHRYPDM-UHFFFAOYSA-N
-D918433D0F810875_F6DC96742C9C0ECD_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C(=N)NO)C(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3,UGHMOQFRACCJGY-UHFFFAOYSA-N
-D942DD239D958D00_C2058D90C888E67A_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=C(C)C=C3)[S](=O)(=O)N4CCCCC4)F,FONBZFRZNKGWKQ-UHFFFAOYSA-N
-DC4FDEE8ADB01390_FA8B7D581D04C422_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,ZUMWDPCHQHAABC-UHFFFAOYSA-N
-DC5FD65EA3E4E2D5_9C61F86F9FDE7FAD_6003_UN,COC2(CC(OC1=CC=C([S](CC)(=O)=O)C=C1)C2)C(F)(F)F,AIWBRGBPGXKQAX-UHFFFAOYSA-N
-DC83AF2A8F9AF266_7DA53A79B024F018_6038_UN,CCOC(=O)C1=C(C2=C(N=C1)C(=CC(=C2)C)C)OC(=O)C3=CN=C(C=C3)N4CCC4,BNSMJPJBQFFWGK-UHFFFAOYSA-N
-DD93D675B0603BA1_C8FC9D53999281D0_6028_UN,N(CCCC1CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,NQRBZLHUGXIVIT-UHFFFAOYSA-N
-E0169DBF57480621_7979696DCEA590AF_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(=O)CC[N]2N=NC=C2,RASWCTDSQDKWLA-UHFFFAOYSA-N
-E187DAC320570F7F_8EEC2A5D9761AEA5_6038_UN,COCC(COC(=O)C(=O)CC1=CC=CC=C1)C(C)C,XBEAFURLORGFNZ-UHFFFAOYSA-N
-E19BE53985928103_76EA96D0A403428A_6029_UN,N(CC(CCO)C1=CC=NC=C1)[S](C2=CC=C(C=CCO)C=C2)(=O)=O,ARXNGVOOQUJITF-UHFFFAOYSA-N
-E1A06BEE1D385D62_E0FFEBA19C7DFF69_6029_DP,C(N(C1CC1)C2CN(C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O)C5=CC=CC=C5,BHJCZNUBAWZJSS-UHFFFAOYSA-N
-E2FD6E2C75282FDF_E85442E378824EB0_6038_UN,COC2=C1C(=C[NH]C1=CC=C2)CCNC(C(N(C)C)=O)=O,SGQLVSXVAKKSOP-UHFFFAOYSA-N
-E6C6C7E8BDBAEB32_0757CE3260B99F07_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(C4=NC=C[N]4C)N)(C)C,UNLRRSJZOJTLQE-UHFFFAOYSA-N
-EA840252FE8BDE96_B6878446363B1E04_6038_UN,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C(C[Si](C)(C)C)=O,LRZHGMHNSSMIHK-UHFFFAOYSA-N
-F035DFE20C1D7C4C_9C10E23AD092ACC4_6003_UN,OC(=O)C1=CC=C(C=C1)OC3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,JDQRMDPYEQWTDW-UHFFFAOYSA-N
-F39F2E7FB2A90AF6_FDED9ABE492BB050_6003_UN,O(C2=C1C=CC(NC1=CC=C2)=O)C4=CC=C(C(NC3=C(C(O)=O)SC=C3)=O)C=C4,UGBVXUWGBLJCHE-UHFFFAOYSA-N
-F50FBF884805CFFD_94011753B29D73D3_6041_DP,CC(C)[N]1C(=NC=C1NC2C3=C(CCNC2)C=CC=C3)C,XUKLBSIDPYXJAP-UHFFFAOYSA-N
-F58F4ABAE49C69A0_04EFB2678D13FB50_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(N5CC3=C([N](C)C4=C3C=CC(=C4F)Cl)CC5)=O,NHOXMZSFOPUWKF-UHFFFAOYSA-N
-F888AD22F9A39EA0_4D16964E43266D22_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=NC=C(F)C=N2)CC3)N4CCOC4=O,XGXFJVOCPHDEIL-UHFFFAOYSA-N
-F92E18AF3771C878_AD0609B3AB419716_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,NCUIDQBTRXQEIB-UHFFFAOYSA-N
-F944AF9798DDCA31_B3E2D707D75E81D2_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(C)=O)SN=C3)(=O)=O,CVAJDJVMUVITRQ-UHFFFAOYSA-N
-F986B4C3F3F27D9C_A8E38E3E7313968F_6038_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(CCC3=C(C(OC)=O)N=CC=C3)=O,HXBCGPTVFZQEDB-UHFFFAOYSA-N
-FA9C48DD54725E87_DF04C0C1F25175F9_6003_UN,O(C1=CC2=C(C=C1)C=CC(=O)N2)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,UZTQXUUMZBJPLC-UHFFFAOYSA-N
-FC317C3E9EFA7294_F0C06808191DD92E_6003_UN,CC1=CN=C(N=C1)N4CCC(OC2=CC=C([N](=O)=O)C3=C2N=CC=C3)CC4,XWRPSRHDQLJQTF-UHFFFAOYSA-N
-FD41492D22D6BCF4_1576E490A48F5EDA_6029_DP,N(C1=CC=C(C=C1)C2(N=N2)C(F)(F)F)[S](C3=CC(=NC=C3)N4CCNCC4)(=O)=O,RSFUVNZQNUCKLT-UHFFFAOYSA-N
-FDC0B2B99FC24A43_29B9939201D2AE80_6003_UN,CC1=CN=C(N=C1)N4CCC(OC3=C([N](=O)=O)C2=C(N=CC=C2)C=C3)CC4,NGMANNCQFABICY-UHFFFAOYSA-N
-FF2988D29B7ACC3E_D37B897E4E8BA3F6_6039_UN,O(CCC1=CC1(F)F)CCOC2=CC=C([S](Cl)(=O)=O)C=C2,PSOYDTNUJDNOIY-UHFFFAOYSA-N
-rxn:1:48565:17836,CC(C)C(=O)c1cc(-c2cn(CCC(O)C(O)c3cccnc3Cl)nn2)c2c(c1)C(C1CCCC1)C(=O)N2,GAYZTZBLIWMWKU-UHFFFAOYSA-N
-rxn:1:49920:32371,CC(=O)N1CCCN(C(C)c2cn(CC3C(c4ccc(C#N)cn4)C3(F)F)nn2)CC1,WKMYDAIPYQQIEX-UHFFFAOYSA-N
-rxn:1:49920:3372,CC(C)NC(=O)N1CCC(c2cn(CC3C(c4ccc(C#N)cn4)C3(F)F)nn2)CC1,UNNLIJLPVGEGPH-UHFFFAOYSA-N
-rxn:1:50459:9342,CC(=O)c1cncc(C2C(Cn3cc(C(C)(C)N4CCC(O)C(C)C4)nn3)C2(F)F)c1,NTJWKEFWWIGZCG-UHFFFAOYSA-N
-rxn:1:50609:8285,CC1(c2cc(O)[nH]n2)CCN(C(=O)c2cn(CC3C(c4ccc5c(c4)CC(=O)N5)C3(F)F)nn2)CC1,GOBKRKDPVAREGR-UHFFFAOYSA-N
-rxn:1:50715:8285,CC(=O)Oc1ccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)cc1,BQCPATJBBRMARR-UHFFFAOYSA-N
-rxn:1:50739:8284,CC(=O)Cc1ccc(C2C(Cn3cc(C(=O)N4CCCC(C)(c5cc(O)[nH]n5)C4)nn3)C2(F)F)cc1,NDXKZBOCOMDFPY-UHFFFAOYSA-N
-rxn:1:50788:35059,Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1-c1cn(CC2C(c3cnn([C@@H](C)C(=O)O)c3)C2(F)F)nn1,DQCPJDHJEUAODQ-IPZAWCTGSA-N
-rxn:1:50839:13859,C[C@@]1(c2cn(CC3C(c4ccc(Cl)nc4C(=O)O)C3(F)F)nn2)CCCN1C(=O)OCc1ccccc1,SWIRMEHLBKASMO-KGGRFHARSA-N
-rxn:1:50840:29371,Cc1cccc(C(=O)N2CCC(C)CC2)c1-c1cn(CC2C(c3cnc(Cl)c(C(=O)O)c3)C2(F)F)nn1,NFLRFCJOFMOROI-UHFFFAOYSA-N
-rxn:1:50850:13859,C[C@@]1(c2cn(CC3C(c4cc(C(=O)O)cnc4Cl)C3(F)F)nn2)CCCN1C(=O)OCc1ccccc1,KHFRHLQHODGZOJ-IWRZYZMASA-N
-rxn:1:51042:21206,CCc1ccccc1C(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(OC)c(C(=O)O)c3)C2(F)F)nn1,AMYKTFDHMDAUEX-UHFFFAOYSA-N
-rxn:1:51042:25220,COC(=O)c1ccnc(N2CC(c3cn(CC4C(c5ccc(OC)c(C(=O)O)c5)C4(F)F)nn3)CC2=O)c1,FPRKQNUNSMTVAE-UHFFFAOYSA-N
-rxn:1:51355:8554,CC(C)(c1cn(CC2C(c3ccc(F)c(C=CC(=O)O)c3)C2(F)F)nn1)N1CCNC1=O,XEXPXXSGLAOCMP-UHFFFAOYSA-N
-rxn:1:54037:8284,CC(=O)c1cccc(C2C(CCn3cc(C(=O)N4CCCC(C)(c5cc(O)[nH]n5)C4)nn3)C2(F)F)c1,LFUQSVOTPUFYQG-UHFFFAOYSA-N
-rxn:1:54037:8285,CC(=O)c1cccc(C2C(CCn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)c1,ZDXGGXWIXNWFOT-UHFFFAOYSA-N
-rxn:1:59653:9259,CCOc1ccc(C(=O)N2CCC(n3cc(CNC(=O)c4cc(Cl)c(Cl)cc4C(=O)O)nn3)CC2)cc1,FSQTZDYIGSXDRP-UHFFFAOYSA-N
-rxn:1:59804:29379,Cn1nc(C(=O)N2CCC(n3cc(-c4ccccc4C(=O)N4CCCC(C(F)(F)F)C4)nn3)CC2)ccc1=O,DIILTZYIKBYBGK-UHFFFAOYSA-N
-rxn:1:59805:33670,CC1(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)COC(=O)OC1,ZTXZHLBLFKTPDQ-UHFFFAOYSA-N
-rxn:1:60849:33340,Cc1cc(C(=O)NCC(F)(F)F)ccc1-c1cn(CC(=O)N2CCC(C#N)CC2)nn1,UBCCYMJSIADVAK-UHFFFAOYSA-N
-rxn:1:60932:9422,COC1(C(F)(F)F)CCN(CCn2cc(COc3ccc(Cl)cc3C=C3C(=O)NC(=O)NC3=O)nn2)CC1,WHVFGUFEDDOUNK-UHFFFAOYSA-N
-rxn:1:61497:701,Cc1c(C(=O)Cn2cc(CN3C(=O)COc4cc(F)c(N5C(=O)C6=C(CCCC6)C5=O)cc43)nn2)c2ccccc2n1C,HGURDNFNYWUWNB-UHFFFAOYSA-N
-rxn:1:63338:25290,COc1ccnc(N2CC(Cn3cc(C4CC(=O)N(c5ccc(OC)c(C(F)(F)F)c5)C4)nn3)CC2=O)c1,KZVLXBFLVAWUPP-UHFFFAOYSA-N
-rxn:1:63353:9255,COc1cnc(N2CC(Cn3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4Cl)nn3)CC2=O)nc1,HXPDMKKRZCFLGF-UHFFFAOYSA-N
-rxn:1:63557:7879,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCC(O)(c5cccc(C(F)(F)F)c5)CC4)nn3)CC2=O)nc1,BOUJRBYWOUQHNZ-UHFFFAOYSA-N
-rxn:1:64317:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5C(=O)O)C4)nn3)cc2)CC1,LKIMMSLJFNYLEL-UHFFFAOYSA-N
-rxn:1:64980:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ncc(C(=O)O)cc5Br)C4)nn3)c2)CC1,WJJJDMFYVVIZJY-UHFFFAOYSA-N
-rxn:1:65185:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5cc(Cl)ncc5C(=O)O)C4)nn3)cc2)CC1,KAGRKURGZUXKQT-UHFFFAOYSA-N
-rxn:2:117417:119185,CC(NC1CC2CC(C1C)C2(C)C)c1cccn1C1C2CC3CC(C2)CC1C3,VCSGOPBBZVIEPD-UHFFFAOYSA-N
-011222E9692960B2_69080CE89854DED2_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C2(CC(OC)=O)CC2)=O,HCUSVNIMGZSNFN-UHFFFAOYSA-N
-082328139825551F_483E13C3283A12DA_6009_UN,C1(=CCNCC1)C(CCOC2=CC=C([S](F)(=O)=O)C=C2)C,RHRJHBFRAUHDGK-UHFFFAOYSA-N
-0885F731A099A554_994D2638FF84F404_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC(N3CCNCC3)C4=CC(=CC=C4)Cl,IGXHBHNMWPFLGR-UHFFFAOYSA-N
-09198E27A5BB2D6B_8D93F09C354F0EA3_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=C(C=C2Cl)Cl)Cl)[S](=O)(=O)Cl,SCAHGGSOXDCPRJ-UHFFFAOYSA-N
-0E238A02076F8039_2A26A090F21FDF0B_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,KDYVFKAIXYQXIJ-UHFFFAOYSA-N
-0E7F0DDFDF9FC052_EF33CEB539B99EA0_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O)C,WVUJULMQNNKDMF-UHFFFAOYSA-N
-0F1682DBDA41D732_4F74F517FCA78D0C_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(C1=CN=CC=C1)[N]2C3CC3)(=O)=O,JCNUGMBGQSIKNC-UHFFFAOYSA-N
-1143F374A3F3FE97_DB167E1C037F0DAD_6038_UN,C[N]2C=C(COC(C1(CCN(C)C)CC1)=O)C(=N2)[N](=O)=O,HTNQUBGSNABADS-UHFFFAOYSA-N
-1879993BCCB407DA_B81BE61F6A7E9453_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC3(CNC3)C#N)C4=CC=CC=C4,JGUAAJMWKHPJRS-UHFFFAOYSA-N
-1954603E36E2DB9D_7DCEA632C37C1408_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=N[N]1C2=C(C=C(C)C=C2)C)(=O)=O,CZRIYNMMPRNRPB-UHFFFAOYSA-N
-1DEEBA901519F628_CF3F13AE21C5687C_6038_UN,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C(CCN(C)C)=C)=O)C,XFRROQDFZWTETK-UHFFFAOYSA-N
-20B2A9D04F2C71CD_B63FCA68C9425512_6029_UN,N(C1=C(C=C(C=C1)I)[N](=O)=O)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,DMFCJBVGZSOQBP-UHFFFAOYSA-N
-239ECF927AD7EF3F_558D883837883D7E_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,HGBCBASFCYLOCD-UHFFFAOYSA-N
-2510D6E08867B9B5_E2089835C4D1A243_6029_DP,CC(N(C1CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC5=C(C=C4)OCCCO5,QRPKMXYTIHGWDF-UHFFFAOYSA-N
-261BC0503EAD7D0E_A3734598A11E283F_6003_DP,N2CC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(CCC#C)C2,FAUTWRCOIOPYAR-UHFFFAOYSA-N
-29DAB51BDE55438C_F35C9EAF978CAE5E_6038_DP,C[N]1C=C(C=N1)C(NC(C=C2CNC2)=O)C3=C[N](N=C3)C,OLONRSHXKIXUMI-UHFFFAOYSA-N
-2D6D2DD13A2D985C_12E97410C0FE594F_6041_UN,OC(=O)C1=C(N=C2SC=C[N]12)NC3=CC(=CC=C3)N4CCOC4=O,DLNIFCCTSHKBSA-UHFFFAOYSA-N
-3035BDB9D5D39E2B_DD2C9D50A24B6374_6038_UN,CC[C@H](C)[C@H](NC(C(C)[N]1C=NC(=N1)C#N)=O)CN(C)C,ZWQJNIPYWWPFNP-ASKATJPDSA-N
-318FEAC127BB5636_5DA7B7DDF77928AC_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCOCC2)[N]3CC4=CC=CC=C4)(=O)=O,AHLJCISFGJSQKM-UHFFFAOYSA-N
-31C1262DC72E2D61_0E465CB15933F411_6041_UN,C1(=NC(=CC=C1)CC2=CC=NC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,RVLRJXHKRYLZIL-UHFFFAOYSA-N
-38028028489D0FFC_17282B519DB8A2A5_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CCC2)N)CC3=CC4=C(C(=C3)Br)C=CC=C4,XSJUNDGWMWADOF-UHFFFAOYSA-N
-3A68605CF8907F3B_14E0C5BBC862AC64_6003_UN,CCC(OC1=CC=C([S](C)(=O)=O)C=C1[S](=O)(=O)Cl)C3=C2OCCC2=CC(=C3)Cl,BJUCIMSRXDUMFE-UHFFFAOYSA-N
-3B72F0EA326C1749_B5B60EF1F42B6741_6041_UN,C1(=C([NH]N=C1)C2CC2)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,DOMJEIYXANMSPI-UHFFFAOYSA-N
-3BD865A1029E8678_F0A59BE27D7F4748_6038_UN,O(CC(CC1=CC=CS1)C#N)C(C2=CC(=C(C)O2)[S](=O)(=O)Cl)=O,BOHBGIAAAVKESO-UHFFFAOYSA-N
-3C295AE273FCE5D5_8A0C8F913B103A9B_6038_UN,O(CCC1(CCC#C)N=N1)C(C2=CN=C(C(N(C)C)=O)C=C2)=O,ZSWYGVADSGEAAZ-UHFFFAOYSA-N
-3DB28D71C2256630_5DD7DE2EDC9BF7A9_6038_UN,NC(=O)CCOC1=C(C=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,JCTXVWKOUXPSBS-UHFFFAOYSA-N
-3EECBD5EA63809CF_AE33192F24E6C018_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N(C3C2=C(C=C(Br)C=C2)CC3)C4CC4)I,GIYNSBLTTFNANZ-UHFFFAOYSA-N
-40C20298793C5FB4_DA5263C0F2FBF28C_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,ZPCZMMYACKTMPR-UHFFFAOYSA-N
-415B8ADF29BC18D3_8D76B4D540BFB5A8_6029_UN,C1CN(CCN1[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=NN=C(O3)C4=CC=CC=C4,PAUAFYFBZZZFGW-UHFFFAOYSA-N
-43B97273A636B181_C4C407EC3DC0479E_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,AYSZZMVRDHMDCR-UHFFFAOYSA-N
-4660D1970B7B93A2_E310F0C728CF33D7_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=C(C=CC(=C2)F)C3CC3)(=O)=O,IDHXSSONCMRIKC-UHFFFAOYSA-N
-49E706F0DB9B1E5C_50BAF9F251097FD7_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C4CC3=C(C=C(C=C3)[S](=O)(=O)Cl)C4,PURHEIRRXKZXNQ-UHFFFAOYSA-N
-4BFB67DFB68E4E1C_5531095D20EBE48E_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCC(C)CC2)[N]3CC4=CC=CO4)(=O)=O,DMDGEHSSUPNMJI-UHFFFAOYSA-N
-4F1B194BBA6E1063_C62019F6B1355B89_6038_DP,C[N]1C=C(C=N1)C(NC(C3ON=C(C2CNC2)C3)=O)C4=C[N](N=C4)C,YPADTENGCUCNAA-UHFFFAOYSA-N
-505561BC58BC9BFE_A5C6029F301502C2_7019_UN,C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,XXPIKFIJLRYJHJ-UHFFFAOYSA-N
-568D985647D2B235_EE760EC8CE80ABE6_6038_UN,CC(C)OC(=O)N2CCC(OC(COC1=N[N](C)C=C1[N](=O)=O)=O)CC2,MGUMXWQDACTXHO-UHFFFAOYSA-N
-571DFB55AE3DDC09_52A415BAE0E5B0F3_6038_UN,CC1=C(C=CC2=C1OCC2=O)OC(C3=C(C)N=C(N=C3)C4CC4)=O,LHHOIUZFWLVLFP-UHFFFAOYSA-N
-58002D64E20DF3B8_EF626F51C9DFE716_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(C)C=C5)(=O)=O,ADQJJLAOIDKNOJ-UHFFFAOYSA-N
-5A9644B6C4D222FC_A2855FEB79DFB9B8_6038_UN,CN(C)C2=NN=C(CNC(C1=CC=C(CC(C)C)S1)=O)[NH]2,XXEQWSNQGFFCIG-UHFFFAOYSA-N
-5E28C8B7655E6B7F_823DB1A40A88908D_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)N3CC(CC2=CC=C(Br)C=C2)C3)I,TWWDQJAXQZMHCM-UHFFFAOYSA-N
-616FF9275BEADBFB_4D2CDC12030AD46A_6038_UN,CC1=NC(=C(C=C1)OC(CN2C(CN(C)C2=O)=O)=O)[N](=O)=O,AFMRWBJZJRVEOY-UHFFFAOYSA-N
-63FC87F54501AEE2_2086CFE0B356B39E_6041_UN,CC1=C(C(=NC=N1)N[C@@H]([C@H](CC)C)C(=O)N(C)C)C#N,FKXHGUBEGNWHLN-CABZTGNLSA-N
-64225BC1D3FBB2C6_DB7C3B01110E58DD_6038_UN,CC[C@H](C)[C@H](NC(CC1=CN=C(C(OC)=O)C=C1)=O)CN(C)C,YBHQTHMBDLIKAX-SWLSCSKDSA-N
-6C3BAD0D2452B5F8_306D80C0CC7C9624_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2CCC(CC2)(C#N)C3=NC=CC=C3,ZDKAITIBMQMXDY-UHFFFAOYSA-N
-6E91FD4A81C78D89_41CD75EF0F49DF56_6038_UN,N(C1CC(C1)(C#N)C2=CC=CC=C2)C(=O)[C@H]3[C@@H](C3)C4=N[NH]C=N4,NBVPKFFYFHQKJE-YXXKGXSTSA-N
-6F7A5AF62A7A936E_B364E88BE72186F5_6029_UN,CC(CO)C1CCN(CC1)[S](C2=C(OCC(C)=C)C=CC(=C2)C)(=O)=O,TXKGAMKFNLGWRR-UHFFFAOYSA-N
-6FD926388616E81C_1597C77BB7171A26_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NC(CC(C)C)(C)C#N)[NH]N=C2,ZGBAKFXRZFFLFW-UHFFFAOYSA-N
-72E420B802B225AC_4675D1D15764AC14_6038_UN,O([C@@H](C1CCCC1)C2=CC(=CC=C2)F)C(C3=C([S](C)(=O)=O)C=CS3)=O,HHVMYRGJZBOMBP-INIZCTEOSA-N
-8593C2C1D24DB2C8_BF264909B4D0DB1C_6035_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C3=C(C=C(C(C)C)C=C3)N,KYIAGMQZZARHDG-UHFFFAOYSA-N
-85C35C744501D3D2_9B01FD640324CDFB_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,JPGQGTVRXSJAAS-UHFFFAOYSA-N
-87189270F4314748_8C22B7A83AE03585_6038_UN,COC1=C(C=CC(=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZPFYYDPVJSMTMP-UHFFFAOYSA-N
-877A433B53A378C2_22F7CA3E5E1C8520_6038_UN,CC[C@H](C)[C@H](NC(C1=CC=NC(=N1)CC(C)C)=O)CN(C)C,JYGMECIPWKKRTC-DZGCQCFKSA-N
-8877C85DB3E70F28_94EDACDF7E8EEDA9_6038_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C(C2=CC(=C(CC)O2)[S](=O)(=O)Cl)=O,OZJWBSHISZRLMK-UHFFFAOYSA-N
-89A816BF6AD3EE20_90AE4DE38CA65F17_6038_UN,CC(C)CC(NC(C(=CC1=CC=C(N(C)C)C=C1)C#N)=O)C2=NN=N[NH]2,QFXCGIKJITYSPJ-UHFFFAOYSA-N
-89C357FDD20409F2_FAD1D3D75F376387_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)F,ISQUZFATUHBQHA-UHFFFAOYSA-N
-8AEB2449D01D4550_8FBB76BA50BF9A6B_6038_UN,CCC(NC(C(CCN(C)C)=C)=O)C1=C[N](N=C1)CC,UEUBBSNNFLNAFA-UHFFFAOYSA-N
-8C162C30CC7A77B3_C88ED425927DEEDC_6029_UN,OC1(CN(C1)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O)C#C,DBFWBVFYUXELEL-UHFFFAOYSA-N
-8F6FA2C4E3385B23_1922505C6B94952C_6026_DP,[S](=O)(=O)(C1=C(C=CC=C1)CCC=C)NC2=C(CNC2)C#N,MLENFCGFJUZOLN-UHFFFAOYSA-N
-92C79F926EFD06EA_6C1A436AD49C5230_6038_UN,CN(C)CCCN(C)CCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,MCMMKPGRCHTBQV-UHFFFAOYSA-N
-9337A499223B933E_2C6E3EDCD7AE6660_6039_UN,CC(OCC(C(=C1N(C)C2=C(N1C)C=CC=C2)C#N)=O)C3=NN=N[N]3C,QRSQOMMMNMYWPA-UHFFFAOYSA-N
-9484314ECD663CC5_18160529EFABF306_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=C(N=C5)C6CCC6)(=O)=O,HLTWBJHXUBIJNN-UHFFFAOYSA-N
-9B28998F1C5A965B_30250E39CBD81A56_6041_UN,CCC1=C(N=NC(=C1)NCC2(CC[N](C)(CC2)=O)[S](=O)(=O)C)C3=CC=CC=C3,QTAUKJJMVQRDQB-UHFFFAOYSA-N
-9E9B73A78BB1BDEB_E83B5D495CFE15D7_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2)[S](=O)(=O)Cl)F,FMGWPFCIAYSTJR-UHFFFAOYSA-N
-9ED017FF92E920CF_BDBD0004E072E1F3_6038_UN,CC[C@H](C)[C@H](NC(C2=C(C)N(C)C1=NC=N[N]1C2C)=O)CN(C)C,XXNJFZSIYZIDPB-JDZGAICCSA-N
-A0A1571E86FAA2BA_E93DC2C91E721EFD_6038_UN,CCC(CC)C(CNC(C2=C(C1=CC=N[N]1C)[NH]N=N2)=O)N(C)C,CDHSYZBXXZMTDE-UHFFFAOYSA-N
-A1D1034B76CBE81C_0E8AA1BB2958939B_6031_UN,O(C(=O)C[N]1C=CC(=N1)[N](=O)=O)CC2(CC(N(C)C)=O)CC2,ANTXYYNFUUXENT-UHFFFAOYSA-N
-A4D5EA7CE3E9A025_12429D521CA9FA20_6031_UN,O(C(=O)C[N]1C=C(C=N1)[N](=O)=O)CC2(CC(N(C)C)=O)CC2,GPHDDTATNRFMLJ-UHFFFAOYSA-N
-A662678A5D263D67_CD16ECC49DE0E62C_6038_UN,CN(C)C3=NN=C(CNC(C2OC1=C(C=C(C)C=C1)CC2)=O)[NH]3,PHZUCPONFUAYMV-UHFFFAOYSA-N
-A8FAC4F0ACF42690_CF4AB9631387B90B_6029_UN,N(CC2=C1OCCCOC1=CC=C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,YSBPYHCOEKNYLF-UHFFFAOYSA-N
-A9F6660F23A47C7D_EA4102BE7D94CFF4_6038_UN,CC(C)[N]1N=CN=C1COC(CC2OB(O)C3=C2C=CC=C3)=O,XZUXJIVUHJYHDF-UHFFFAOYSA-N
-AB469F3579249DDB_32B9F9BF4DE9707E_6041_UN,OC(=O)C2=C(N=C1C=CSC1=C2)NC3=CC(=CC=C3)N4CCOC4=O,VNRCKWGRPXKNFO-UHFFFAOYSA-N
-AE8C65023EFB709E_EFFB143CDB323F23_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C3=NNC(=O)CO3,BBMFMCSCQJOXOY-UHFFFAOYSA-N
-B06B5F03F080BD2A_74D0E9E28CFC6C4D_6041_UN,CC(C)C1=NC2=C(C(=N1)N[C@@H]([C@H](CC)C)C(=O)N(C)C)C=C[NH]2,YZAWYGIMJCVFJA-AAEUAGOBSA-N
-B0E6A7A9B99B1E39_CFC5DE9AFB3073E5_6038_UN,CC[C@H](C)[C@H](NC(C1=NN=C(C(C)(C)C)[NH]1)=O)CN(C)C,WYMKTBQFBULTNS-WDEREUQCSA-N
-B4C2825190B20C70_0A4D9A3F31EEE784_6041_UN,C1(=NC(=CC=N1)CC#N)N[C@@H]([C@H](CC)C)C(=O)N(C)C,DQRAQXZDNVCPFG-JQWIXIFHSA-N
-B6B3F9ECF5EED860_C14A1873C3CB2F7E_6038_UN,O(CC[S](=O)(=O)O)C(=O)C2=C(N1CC[S](=O)(=O)N=C1S2)C3=CC=CC=C3,FIYDSRNUTVUDJT-UHFFFAOYSA-N
-B86791F666AA997E_0F615AC461921E15_6003_UN,O(C1CC(CC#N)C1)C2=CC=C(C(F)(F)F)C=C2[S](=O)(=O)Cl,AHULPOIVAYEECD-UHFFFAOYSA-N
-B99A359F09A2DB65_C4DAC37EDD72B28E_6036_UN,CC2CC(CN(CC1=CC=C(OC)C=C1)[S](=O)(=O)CBr)C2,JPILKYBTEBQBPH-UHFFFAOYSA-N
-B9A533FEB82BE442_5770154CFBED536F_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,QGLZXFJCAHJRSJ-UHFFFAOYSA-N
-BC01F17A71816691_7E41C4F4DCE87CD8_6026_UN,[S](=O)(=O)(C1=C(C=CS1)C2CC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,UPXGXPPNHRRGHM-UHFFFAOYSA-N
-C28B44E557A56451_8A4FB0FC69825A04_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,SPDIVWAVUBYTHC-UHFFFAOYSA-N
-C39F8313765C3B84_A6AA897A7DFCD88B_2267_UN,NC(C#CC1=N[N](C)C2=C1N=CC=C2)C3C4=C(CC3)C=CC=C4,CZRIGICHWHYRCH-UHFFFAOYSA-N
-C5EC892250D889F1_10367859BCE8F640_6038_UN,CC(NC(C1(CCN(C)C)CC1)=O)C2=NNC(=O)N2C,MSHPLXKMLXZWTI-UHFFFAOYSA-N
-C95847F306F82DD7_A869DDD07D6929B0_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2C3=CC=C(C)C=C3)N4CCCC4)(=O)=O,DOBJVKGCEOOURE-UHFFFAOYSA-N
-CA95F37CB4D294E9_3348E63BDBEBB278_6003_UN,CC2(C)CCC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)(CC2)C#C,YHVJMPWVLWAKIS-UHFFFAOYSA-N
-CC0D435A47D1E4B6_089226A158289F7B_6038_UN,O(C1=C(C(=CC=C1)[N](=O)=O)[N+]#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LFPQLQOKHNYATN-UHFFFAOYSA-N
-CC967FBB96AA6CBC_E67E8E5613F09E9C_6029_UN,N([C@@H]1[C@@H](O)COC2=C1C=CC=C2)[S](C4=CC=C(C(O)C3CC3)S4)(=O)=O,CVROFCMQKKMRIF-UBZWXBNLSA-N
-D3D3DA5D262F8E6F_B7D17F73D352FB33_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C3=C(N2CC[S](=O)(=O)N=C2S3)C4=CC=CC=C4,YXVCZMJSONQZKX-UHFFFAOYSA-N
-D62C49C0893BEF2F_FA0B520AD20C4407_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C([N]3C)C4CC4)(=O)=O,GUDPWTODSQEKHR-UHFFFAOYSA-N
-D630EB3059D8CE98_A8D3F739396F99E6_6038_UN,CC[C@H](C)[C@H](NC(CC2=NC1=C(N=C(N(C)C)C=C1)[NH]2)=O)CN(C)C,VUJVGDGCGKWCTE-GXTWGEPZSA-N
-D69F30DE4D4A382A_7070325579A9B8C2_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC4=C(O)C=C3OCOC3=C4,GUHVWURBGWYHRL-UHFFFAOYSA-N
-D9E261C9741188F2_9F85EEDED43193A4_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C2CC[Si](C)(C)CC2)=O,NEUDEDTWGWYMEG-UHFFFAOYSA-N
-D9F82E69F13E82E9_26791F0FB4050497_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=NC(=CC=C3)OC4CC4)(=O)=O,AMVPUSUSAVZNKM-UHFFFAOYSA-N
-D9FA66F3573AAD13_37B46B83F9B328E1_6041_UN,C1(=C([NH]N=C1)C2CCC2)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,JEPYGEBKEDZIDX-UHFFFAOYSA-N
-DA9AC28F407094E6_3D1A713FE2B69F75_6041_UN,CC(C)[N]1C=C([N](=O)=O)C(=N1)NC(C(OCC)=O)CCC(C)(C)C,MEWKBRIGFAYZTF-UHFFFAOYSA-N
-DE203D4FE6C22C4D_2E67C95154C04791_6038_UN,CN(C)C3=NN=C(CNC(=O)C1(CC1)C2=CC(=CC(=C2)F)C#N)[NH]3,ZYGUXMITHYCLEI-UHFFFAOYSA-N
-E0DA21BB0D69CE77_9997F32E2A209DA0_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,YNKGVQUOPXXGDT-UHFFFAOYSA-N
-E187E85C71E0DCD4_45B6D3FAC0A0E126_6038_UN,O(C1=CC(=CC=C1)OCC#C)C(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,RSOGUFPXICZLJR-UHFFFAOYSA-N
-E3262EFDF5D9ADEC_66588B9A9F6D32CE_6029_UN,N(C1(CC1)CO)[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O,KSSPHXFEAYBBAC-UHFFFAOYSA-N
-E41077DA73D89917_90CD1C44355246C8_6034_UN,CC(C)C2=N[N]1C(N(C3=C(C1=N2)C=CC=C3)CC4(CN(C)C)COC4)=O,QPBRFJQJDUTWRH-UHFFFAOYSA-N
-E42307184A0FBD64_F0F4E519425895CB_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2CCC(CC2)(C#N)C3=NC=CC=C3,XUGDOXZEQOKDBU-UHFFFAOYSA-N
-E58D1D95C19E8F7C_41691D8BFC0643FB_6038_UN,CCC(NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)CCCN(C)C,DQKBREZCUNBTRM-UHFFFAOYSA-N
-E6594FE292626306_E0806C9E77144AAD_6029_UN,C1N(CC=C(C1)C2=CC3=C(C=C2)OCCO3)[S](C4=NC(=C([Si](C)(C)C)C=C4)F)(=O)=O,GREUFOCOXSKHFT-UHFFFAOYSA-N
-E8FE27164F0C9EB1_0577D1C865F4C562_6028_UN,N(CB(O)O)[S](C2=NN=C3N(CCC(C)C)C(=O)C1=C(C=CC=C1)[N]23)(=O)=O,GETMYTNQFDAMJB-UHFFFAOYSA-N
-E9A6DD491C775AEA_2A0F57AC54A752F8_6038_UN,CN(C)C2=NN=C(CNC(C(=CC1=CC=C(C(C)C)C=C1)C#N)=O)[NH]2,OMRMFFPHKZBLRS-UHFFFAOYSA-N
-EB12768571416B28_F4D38A6F3044AE70_6029_UN,COC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,JFZWEFPETZXOFP-UHFFFAOYSA-N
-EFCB36F718F55C7C_77CB0BFBF87D306E_6038_UN,CC1=N[N]2C(=C1)C(=NC=C2)N3CC(C3)NC(=O)C[N]4C=CC(=N4)[N](=O)=O,YDAOYQNXXHEHOF-UHFFFAOYSA-N
-F7B5F5391F823E2C_4E0F62CA2F125435_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=CC(=CC(=C2F)C)[S](=O)(=O)Cl)=O)C=C3,UZXKKCHJOVVDRL-UHFFFAOYSA-N
-F851333980FDA763_CCEE76B863078860_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CC=C(C(N3CCN(C)CC3)C#N)C=C4)(=O)=O)C=C5,MTPYCYOXXJLVQR-UHFFFAOYSA-N
-F9B8B4DE3FE636EF_E8A51A18F431CBC8_6038_DP,CC(=O)N1CCN(C1=O)C2=C(C(=CC=C2)NC(C(C)=C3CNC3)=O)C,LRMCTEHOJFMNEK-UHFFFAOYSA-N
-F9F5C925C42191D0_58E8FD93098172FE_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,XTMSFXCRFXQXGW-UHFFFAOYSA-N
-FE022F0EFE291657_4F44F634FEB406BF_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,YZOUKUXWGDCPCR-UHFFFAOYSA-N
-FEA4F29312F926B2_42D24F025B1D1F78_6029_UN,CN1CCCN(CC1)C2=NC=C(C=C2)CN[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,GHDKYJFQRYXRSH-UHFFFAOYSA-N
-FF5754C267BFEEF7_D9E788429710FCCC_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,WPPBKWXOIPFZKF-UHFFFAOYSA-N
-FFB9FFCC3A9E1050_EE97D29B7C0F4B67_6041_UN,C[N]1C(=NC(=C1C#N)NC(CC(C)C)C2=NC=CC=C2)F,IXDVCTBGJQSISH-UHFFFAOYSA-N
-009B1C5DA99E42BD_5A3A4852C1A6A35F_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC4(CN2CCN(CC2)C3=NC=CC=N3)CC4,PRYVBKGROMRRMX-UHFFFAOYSA-N
-01DC21CB78B2EB0C_FA71B1457991CA82_6003_UN,CC=CC(OC1=CC=C(C=C1)C(=O)C2=CC=CO2)C(=O)O,YFGCSLBYXNBJNH-UHFFFAOYSA-N
-02A30AF267E3CA83_26F896122D53FE7E_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C2OCOC2=CC(=C3)CBr)(=O)=O,YCSUFXHTRZGSJW-UHFFFAOYSA-N
-071741AD1784CDAD_C50A0E33E8EEEFF0_6034_UN,ClC1=CN(C2=C1C(=NC=N2)N3CCNCC3)C(C4=CC=CC=C4)[S](=O)(=O)O,NFWZWPTUCMGUHE-UHFFFAOYSA-N
-08C608C3BFBE1C55_76DFE4A00BED919E_6038_UN,COC(=O)C1=CN=C(CNC(CC(C(OCC)=O)=C)=O)S1,XMOSCITVWFBUNZ-UHFFFAOYSA-N
-0ED8325B07E21212_30A8E57C31E623ED_6038_UN,COCC(OC(CC1OB(O)C2=C1C=CC=C2)=O)C3=NC=CS3,KWEVNUNCDYGFTR-UHFFFAOYSA-N
-0F5CF997ED8EBFFC_DEF0F5875D6738A7_6038_UN,O(CC(CC1=CC=CO1)C#N)C(C2=CC(=C(CC)O2)[S](=O)(=O)Cl)=O,STBXTMLVKKLWFN-UHFFFAOYSA-N
-13510C09C5D4D3FC_1929ECD68C5A2D4B_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCOCC2)[N]3C4=CC=CC=C4)(=O)=O,LWARMNWZAYEJKX-UHFFFAOYSA-N
-14FC32BCA1C18464_2BDD709C3FC907CC_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NC(C(C)C)C(=O)N(C)C,TUEVFRQDPPZMMO-UHFFFAOYSA-N
-163CC69B1B54E9CA_0F380963AA493A25_7019_UN,OC(CC=CC1=C(C(=C(O)C=C1)O)O)C2=CC=CC=C2,CEEVQZIWWMTCCY-UHFFFAOYSA-N
-17F3E38A2EFAE455_649D59FF0844E319_6038_UN,CC(=C)COCCNC(C1=C[N](CC(N(C)C)=O)N=N1)=O,ZNAZWDWIXJVYBW-UHFFFAOYSA-N
-196C903D074F31B1_EB36FFE396E4295E_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=C(OC)N=C(C=C2)N3CCN(C)CC3,LHUNODJKYCIOAI-UHFFFAOYSA-N
-19A3B365F307DFF9_CA6708BF29853002_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3(C2=CC=C(C(C)(C)C)C=C2)CCC3,ZSWFCMMQPVUHRC-UHFFFAOYSA-N
-1B770388B67F3C59_642C4D2A19B129EB_7019_UN,OC(=O)C1=C(C=CC=C1)C=CC2=C(C(=C(O)C=C2)O)O,YYBYGTSOUOHIAK-UHFFFAOYSA-N
-1B770388B67F3C59_8CD16A2AAFC7601C_7019_DP,OC(=O)C1=C(C=CC=C1)C=CC2=C(C(=C(O)C=C2)O)O,YYBYGTSOUOHIAK-UHFFFAOYSA-N
-1BDC9A447FDFDD45_C613592A04A24C8D_6038_UN,CC(OC(=O)C[N]1C=CC(=N1)[N](=O)=O)CCCN(C)C,KZORHWLUSVYUGY-UHFFFAOYSA-N
-220EF74D2D9AD8CD_CF9C2B787A5D0215_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)OC3CN=C2N(C=C(C)C=C2)C3,UQGICSHKFYTIMG-UHFFFAOYSA-N
-2313A5BDE4044BA0_608750454044A761_6041_UN,C[N]1C=C([N](=O)=O)C(=N1)NCC2(CC(OC)(C2)OC)C(=O)OC(C)C,KNUMPEBJMPNEPS-UHFFFAOYSA-N
-25785A60FC781335_8C1FEE70E888AA00_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CN=C(C)O3,IJQGMAITPPLZLQ-UHFFFAOYSA-N
-277968E8BB83FE07_A38ACC0BAC911839_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(N(C)C)C=C(C=C3)Br,BEQXMDXNHSGIMN-UHFFFAOYSA-N
-28ABC02576BD5510_13D8359CA1A8E8DC_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[SH](=O)=O)NC3(C2=NN=C(C)[NH]2)CC3,MWMUTFVHMNZZBR-UHFFFAOYSA-N
-291C1C27EFFE99AB_C4752236C2EF2F13_6038_UN,N(CCOCC[S](=O)(=O)F)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,RMALMFMRBOKBOE-UHFFFAOYSA-N
-29B710B36D6CA7B4_BFA2C28A20752D71_6004_UN,COC(=O)C1=CC(=CC(=C1)O)C2=C(C=CC(=C2)C)C3=CC=CC=C3,CHJIKFVUJAYDMP-UHFFFAOYSA-N
-2C56ABB081AABD6A_F6276515BEC3EA98_6038_UN,CCCC(OC(C1(C(N(C)C)=O)CC1)=O)C2=NC=CS2,BDWHXLSXEICTTL-UHFFFAOYSA-N
-30551C50E8669C41_9E48F94F572115D0_6029_UN,OC1(CN(C1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=CN=CC=C4,YAJDOWOBVOHKPL-UHFFFAOYSA-N
-30F68C2FDCF53B9D_D0BEAA77C2D5CD32_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(O)C(=C(C(=C2)F)F)F,YZZTUKMTEFRBHQ-UHFFFAOYSA-N
-318F6D192E713069_C2BAC724812618FF_6029_DP,CC(N(O)[S](C2=CN=C(N1CCNCC1)C=N2)(=O)=O)C3=CC=C(C=C3)F,QOUJBIYWOODHMS-UHFFFAOYSA-N
-37D347CA9565A01D_E27EA6F679AC4A05_6038_UN,CCOC(=O)C(NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)C,PRNFGPWTOOQVAA-UHFFFAOYSA-N
-38B7E66DD8BA1365_0CAFDC8EC5E924CA_6038_UN,C[Si](C)(C)C[N]2C=C(NC(C1(C(N(C)C)=O)CC1)=O)C=N2,UBBOMLXZMGJCAD-UHFFFAOYSA-N
-3BE36050DFE15233_5535B8E101871BBA_6038_DP,CC2=C(OC(C=CC1=CC=C(C(O)=O)O1)=O)C(=O)CC2,DOTDEUORUGOKED-UHFFFAOYSA-N
-3DCF7F23921263EE_0AFBAC878C317ED5_6038_UN,CC(CCNC(C1=C(NC(OCC)=O)SC=N1)=O)[S](=O)C,PBYGVTPSAOLOLT-UHFFFAOYSA-N
-482B1B1FA1AAC78D_1A39A1A2C26EF612_6039_UN,NC(=O)N2CC(OCC(NC1=C(C(OC)=O)SC=C1)=O)C2,IJSHPCWVZYZTAI-UHFFFAOYSA-N
-48991F877302E483_3E1F9AC736ABA5CF_6041_UN,CC(C)C1=NN=C([NH]1)NC2=CC(=C(N(C)C)C(=C2)F)F,HUNUKFMWDLILHU-UHFFFAOYSA-N
-4C7A8733A645BAD8_DAA8FE393A86A928_6038_UN,CC2=C(NC(=O)C1(CC(=O)C1)C#N)C=N[N]2C[Si](C)(C)C,CYJRDCQMIWKWLM-UHFFFAOYSA-N
-4F632BD628048700_E8902036898B69E5_6029_UN,FC1(CN(C1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=CN=CC=C4,ABXXWQFLZNEACO-UHFFFAOYSA-N
-5069C894710D3B80_E32AEDFAD6742891_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2C(=C(C(OCC)=O)C3=NC(=CS3)C)CCl)C4=O)N5CCNCC5,KCZFBRKIZWVPGQ-UHFFFAOYSA-N
-50B0E45E795D91E6_592D320D06E0AB93_6003_UN,CC(C)C2CCC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)CC2,SWLPCILFJGPQFM-UHFFFAOYSA-N
-54D7EF9C9382AF37_CD81F2330B1961E8_6029_UN,N(N1C(CC1)=O)[S](C2=C(C=C(OCOC)C=C2)F)(=O)=O,GKPQTOJXPBCAFL-UHFFFAOYSA-N
-5CFCD028525BE47D_666A0D8D25C4EE0F_6041_UN,FC1=CC(=CC=C1)C2=NC(=NC=N2)NC(CCCCC)C(=O)OC,HSCGUAOOZCQREI-UHFFFAOYSA-N
-5D79096F9C427F62_F69ABE81941CF388_6038_UN,COC(=O)C1=CN=C(CCNC(CC(C(OCC)=O)=C)=O)S1,KISJIABBIHYKMH-UHFFFAOYSA-N
-5E5F7C7E33B3DD69_841971B320FC4677_6038_UN,N(C1=C[N](=CC=C1)=O)C(C(CC)[N]2C=NC(=N2)C#N)=O,GGXPBTFWYLQZCC-UHFFFAOYSA-N
-5FD8ED9E987ED89D_370D1B4EF29F82D8_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)OC3=C(C=C(C)C=C3)[S](=O)(=O)O,SDMCOHMGVYMEIH-UHFFFAOYSA-N
-61BB6C755AFC2CC8_331B900501B0C6E3_6029_UN,ON(CC=C[P](=O)(O)O)[S](C1=CC=CC2=C1OC(C)(C)C2)(=O)=O,DKNIAJORDIGNEV-UHFFFAOYSA-N
-61EBC5CC19F2447C_6B754C201A74AC67_6029_DP,ClC1=CC=C(C=C1)SC2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,LJSSYESYLNJMHM-UHFFFAOYSA-N
-62597662C4ACAC8E_746A906642CA1F7B_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CN=C(N=C2)N3CCC(=O)CC3)(=O)=O,FATAGBPGYWBLML-UHFFFAOYSA-N
-669FE30E5FAD84E9_A0AD0EF371EDDFCC_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)N(C2CC(C(C)(C)C)C2)C3CC3)Br,HXTCCIWCEPXBKV-UHFFFAOYSA-N
-6DF97D8EC8EC3796_28A49213BC965234_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,PQDOOTUAHYXOSZ-UHFFFAOYSA-N
-6E5B6535E68C54B3_D9549E8FE50100F3_6038_UN,O(CCC[S](=O)(=O)Cl)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,OUXAHQBSIVHEBF-UHFFFAOYSA-N
-72679A1AB177E2FE_48D8D2FB4A038FCF_6038_UN,N(CC1=N[N]2C(=N1)N=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,OVVSAFVXTIMTJT-UHFFFAOYSA-N
-73A686072AE233C4_5BD7A1C18CB234A1_6028_UN,N(C1=C(CCC1)C#N)[S](C2=C([S](C(F)(F)F)(=O)=O)C=CC=C2)(=O)=O,JZCVWTZKGSROTB-UHFFFAOYSA-N
-73D9A6A4B876A431_623A05B98DC491BA_6029_UN,FC1(CN(C1)[S](C3=CC2=C(C(O)CCCO2)C=C3)(=O)=O)C4=CC=CC=C4,DXJGRSJTSSVQHV-UHFFFAOYSA-N
-751726FC4373C7F5_86B5165083F2F0EF_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC(=CC(=N3)C)Cl,BRXNXACUJOJVLI-UHFFFAOYSA-N
-75D9788D2CA48A23_5FAEFEAB00A25282_6041_UN,C1(=CN=C(C=C1)C2(CCCC2)C#N)NC3=CC=C(C=C3)O[S](=O)(=O)F,ITXFYEQGMBFQFZ-UHFFFAOYSA-N
-775DB3D7EA6785F6_70C4F8892913C703_6038_UN,N(C1=CC=C(C=C1)C2=CSN=N2)C(C3=C(C)OCC3)=O,FXVJNJXNWFCWLW-UHFFFAOYSA-N
-77D0BC91AEB22C43_B656A5BFC09FFCD1_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N4CC(C3=NCCN3C)C4)I,GDJMXRXJJITLEX-UHFFFAOYSA-N
-7982DF04E02E824F_A18BFF655738F0D1_6029_UN,N(N1CCOC1=O)[S](C3=C(N2N=C(C(F)(F)F)CC2=O)C=CC=C3)(=O)=O,NBTFVKQEYYORAI-UHFFFAOYSA-N
-7B0BF83C8976DFE2_0B518ACB4B8049F6_6026_UN,FC1=CC2=C(C=C1)OC(=C2)[S](=O)(=O)N3C4CCC3C=C(C4)C5=CC=CS5,JXHQVMLZBGDNOG-UHFFFAOYSA-N
-7D913B13C4B6D08B_3B11C022EF6464B1_7019_DP,OC(=O)C1=CC(=CC=C1)C=CC2=C(C(=C(O)C=C2)O)O,SUNCYKJFLCFRQY-UHFFFAOYSA-N
-7D913B13C4B6D08B_CE3A515EB1AF1A22_7019_UN,OC(=O)C1=CC(=CC=C1)C=CC2=C(C(=C(O)C=C2)O)O,SUNCYKJFLCFRQY-UHFFFAOYSA-N
-7F1E568ED1A222F6_4235697BFCE6E2CE_6038_UN,CC(NC(C(N(C)C)(C)CC=C)=O)C1=NN=N[N]1C2CC2,KTQRAQOQVYPJQS-UHFFFAOYSA-N
-82399D91D03A7216_D3682591F6E9C4FB_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C[S](F)(=O)=O)SC=C3)(=O)=O,WSACIFYDNAWPGR-UHFFFAOYSA-N
-82A1C55E3607AB44_375E7C3222BC7B6D_6003_UN,CC(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2CCC2,JIBPXSOZCJFMRD-UHFFFAOYSA-N
-83077245261BCF6E_73A012F04A1E99B1_6006_UN,OOC(=O)C1=CC(=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3,NNFRAZULFISCBO-UHFFFAOYSA-N
-8342AF11AB08C036_F3E36243C959D628_6035_UN,CC(OC2=CC=C(B1OC(CN(C)CC(O1)=O)=O)C=C2)C[S](=O)(=O)O,GNINYNZIQJNIBN-UHFFFAOYSA-N
-840BCB1533670C64_088983CB57D32AB3_6038_UN,O(CC[N]1C=NC(=N1)[N](=O)=O)C(C2CC(C(OC)=O)(C)C2)=O,VNDBWYUHRCGPMB-UHFFFAOYSA-N
-8F2E2CC543533E3E_967D7E44B94ED98B_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC(CCC(C)(C)C)N,RZNFNMYTYUECHD-UHFFFAOYSA-N
-915B9E4059FEE83A_7F6FB98CC8414915_6038_UN,O(CCC[S](=O)(=O)F)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,GSZXQBQDGOUUQZ-UHFFFAOYSA-N
-92377E472F9551DB_1F0C3B8581AD7E18_6031_DP,N3CC1=C(C(=C(S1)C(=O)OCC2=CN=C(N(C)C)[N]2C)I)C3,KKLIJAQIHHLOPE-UHFFFAOYSA-N
-9307E3445339525B_BC9DDD0BB58AE70F_6029_UN,N(C1=C(C=C(C=C1)I)O)[S](C4=CC2=C(N=C(C)N=C2N3CCC3)S4)(=O)=O,HYHJYWXVQFPAMW-UHFFFAOYSA-N
-934B64D6C6329652_1A8DE193637EC432_7019_UN,OC(=O)C1=CC=C(C=C1)C=CC2=C(C(=C(O)C=C2)O)O,YVAPELMSUDMTRO-UHFFFAOYSA-N
-934B64D6C6329652_2216858235ECB192_7019_DP,OC(=O)C1=CC=C(C=C1)C=CC2=C(C(=C(O)C=C2)O)O,YVAPELMSUDMTRO-UHFFFAOYSA-N
-934B64D6C6329652_A55BAF4514A2669A_7019_UN,OC(=O)C1=CC=C(C=C1)C=CC2=C(C(=C(O)C=C2)O)O,YVAPELMSUDMTRO-UHFFFAOYSA-N
-93B0E4876DDEDE6A_26D486A7809D0547_6031_UN,O(C(=O)CC[N]1C=C(C=N1)[N](=O)=O)CC2(CC(N(C)C)=O)CC2,ZVWUDFMUCGNOQM-UHFFFAOYSA-N
-95A34DDBACE3C881_829D912F80CF3801_6026_UN,CC1=C(C=CC=C1[N](=O)=O)[S](=O)(=O)N3CC(C2(C(F)(F)F)N=N2)C3,RURBCXSEHDOPBE-UHFFFAOYSA-N
-977CDB6B3DECFE02_BB3B894FCD66F731_6029_UN,C=CCN([S](=O)(=O)C1=CC2=C(C=C1)OCCO2)[S](C3=C(C=CC(=C3F)CBr)Cl)(=O)=O,HJEGPLMFHHVPFY-UHFFFAOYSA-N
-9806AD18B74ACC48_47EEF7C9D460CFC3_6041_UN,O=[N](=O)C1=C(C=CN=C1NC2C(CC)(CC)C(C2)OC)C#N,IFXCAYMINWZAFT-UHFFFAOYSA-N
-9C09BF63360EBE12_38D5C74E44362433_6026_DP,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)NC3=C(CNC3)C#N,GBDYGVDQHVHLMH-UHFFFAOYSA-N
-A30B8C20E3C47C06_97B5B44836AB032D_6035_UN,CC(C)C1CCC(CC1)C(OC2=NC=C(C=N2)[N](=O)=O)C3=CC=N[N]3C,NWYKYJDOJNOTGN-UHFFFAOYSA-N
-A56357B350C7B368_EAF4A66B34AF3702_6038_UN,N(C1=CC2=C(C=C1)COB2O)C(C(C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,JNUWUKJUBDFZEC-UHFFFAOYSA-N
-A6CF236C43EC1CA0_3871B09609D41478_6026_UN,[S](=O)(=O)(C1=CC=C(C#N)O1)NCC2(CC(OC)(C2)OC)C,HNBKOVOVUHCFRG-UHFFFAOYSA-N
-A6F44E4E49EFE595_0AB0AA37746CC4EC_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4(CC3=CC=C(C=C3)F)CCNC4,ATLDYTWJWFNDCE-UHFFFAOYSA-N
-A73ABC718599A487_70F9D17E845269A4_6029_UN,ON(C1CCCC1)[S](C3=CC=C(C2(C)CC2(F)F)C=C3)(=O)=O,SGBWNSYDAMBMDB-UHFFFAOYSA-N
-A75DAF318B47D9E0_6A0A2F506265BDF1_7019_UN,CC2=NN=C(C=CC1=CC=CC(=N1)C#C[Si](C)(C)C)[N]2C3CC3,WEZPAEWBYXVPBG-UHFFFAOYSA-N
-A87669F2DC1153C0_AE165012C4D4546E_6029_UN,N(N1C=C(Br)C=CC1=O)[S](C3=C[N]2N=CC(=C2N=C3)C4CC4)(=O)=O,JUQRBNZCAYZTQD-UHFFFAOYSA-N
-AA6E156346AE1B1F_E480AF172ECB3725_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=NC3=C(C=C(C=C3)F)O4,UDFHZRJVYAVCFL-UHFFFAOYSA-N
-AD885822A735908D_F1CA735520E6B095_6038_UN,N(C1=CC=[N](C=C1)=O)C(C(CC)[N]2C=NC(=N2)C#N)=O,GYRRGMLOYSRRAN-UHFFFAOYSA-N
-B4865739ABCBBCC5_C5E19593B3909315_6029_UN,O=[N](=O)C1=CC2=C(C=C1)CCCCN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,XEODAGNCVUQSAL-UHFFFAOYSA-N
-B5D6F1ED70816B71_ECF96332E5FFBBEF_6039_UN,CC(COCC1=NC(=N)NC(=N1)N(C)C)C(C)N(C)C,ZSSIKEZINUMNNM-UHFFFAOYSA-N
-B5F84244010854C5_1A4A1623634A154F_2201_UN,CC(C)C=C3CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,FHYKYRBYCBYXGM-UHFFFAOYSA-N
-B6C9A1CAD34A647E_5AFE0FB910BDDA1E_6038_UN,CC(OC(C1=C([S](C)(=O)=O)C=C(S1)[S](=O)(=O)Cl)=O)CCC2=CC3=C(C=C2)OCO3,GLVDXXIZEQWWCG-UHFFFAOYSA-N
-B80F6EC87C7FD4A5_6BF71B4BFF44AE13_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CC2=CN=C(C(F)(F)F)[N]2CC3)N4CCOC4=O,IFUPCZCFILHPPY-UHFFFAOYSA-N
-BF54E888A4BEE62E_48E61204AB445890_6038_UN,NC(=O)N2CC(OC(C=C(C1=CC=C(OC)C=C1)C)=O)C2,GMTADJUNJIOPFU-UHFFFAOYSA-N
-C28BF73414EE1394_D9B58176E0373EC9_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C2(C(OC)=O)CC2)=O,DLOYJFZNKHVPON-UHFFFAOYSA-N
-C5DC691795DE5914_72E3BEC3E637D1E6_6038_UN,N(C1=CC(=CC=C1)C2=C[NH]N=C2)C(C3(C)COC(=O)OC3)=O,CYHHXHQSKSZLGT-UHFFFAOYSA-N
-CA4B728E604BCA01_693E35D8B2D45E43_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(CC)[N]2C=CC(=N2)C3CC3)=O,BNEPAENIUQUGTM-UHFFFAOYSA-N
-CA71E1D6CEA0015B_17EA96DA413A3772_6005_UN,CC1=NC=C(O1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,AGIGMNRZVXGINP-UHFFFAOYSA-N
-CA71E1D6CEA0015B_B88B7FF3D3440DB6_6004_UN,CC1=NC=C(O1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,AGIGMNRZVXGINP-UHFFFAOYSA-N
-CCE04B42399BABCE_AFB0E8B413C374D1_6038_UN,CCCN(C)CC(C)(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,IWVVSSNSAIXLKC-UHFFFAOYSA-N
-CE124B29DFD7F12F_7BD4E44BEF2ACFB4_6036_UN,C(C=C(Cl)Cl)N([S](C1=CC=CC(=C1)N)(=O)=O)C2=NCCC2,GHKKXABWPGATIT-UHFFFAOYSA-N
-CFAE7A5B17E0CAB8_9A19831EC362D52B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=NC3=C(C=C(C=C3)Br)O4,BPTFHJFOFIDVMQ-UHFFFAOYSA-N
-D04A2640F853745F_60C43C560029317B_6039_UN,CC(C)C(OCC1=NC(=N)NC(=N1)N(C)C)CN(C)C,ZBYBAUMMIVEUAD-UHFFFAOYSA-N
-D1B74B455513DAC0_9B5375DDA4F5FCC5_6041_UN,COC1=C[N](=C(C(=C1)NCC2=NN=C(N(C)C)O2)C)=O,FIUVMKKBEUQCFT-UHFFFAOYSA-N
-D4A92CD60AF2D447_B6438C7E583D0FB2_6038_UN,CC3=C(NC([C@@H]1[C@H](N(C)C(C1)=O)C2=NC=C[N]2C)=O)C=N[N]3C[Si](C)(C)C,YLTLZUCAEJTDCJ-BBRMVZONSA-N
-D623940600C8737A_ACCB6012D0FCAC00_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(C[N]3N=NN=C3C(C)C)=O,KDRSPHABCYAJCS-UHFFFAOYSA-N
-D7EAEA850EB6289F_7C188F9EA30B4A87_2201_UN,CC(C)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C,YSCUTUVYBBZPLG-UHFFFAOYSA-N
-D85564A513BE7F77_0B0E552E831D9A57_6035_UN,O(C[S](=O)(=O)O)C1=CC(=C(C=C1)Cl)N2CCN(C)CC2,PDGWSVSBEOHTEP-UHFFFAOYSA-N
-DAA10D637B74966D_154BDBF07A6E215B_6031_UN,CCC(C#N)C(=O)OCC(OC)(OC)C1=CC=NC=C1,ULYLOYMLFJJNSS-UHFFFAOYSA-N
-DE74AE2736D35C8F_56C1C6067F284D3B_6038_UN,CC(CNC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[NH]3,LRTJOSBAMOZZHB-UHFFFAOYSA-N
-DF6DF9FEF71E9126_D56394A02A97B6AA_6036_UN,C(C=C(Br)Br)N([S](C1=CC=CC(=C1)N)(=O)=O)C2=NCCC2,PHEYURDEOPUMSR-UHFFFAOYSA-N
-E05BA37C1349747C_A39622F06FF92472_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=CC(=C3OC)[S](=O)(=O)Cl)Cl)(=O)=O,GAFZANKTLCBSCH-UHFFFAOYSA-N
-E16B4BD5E8F429D9_5E363076DAE4D857_7019_UN,ClC1=CC(=C(C=C1)OCC2CC2)C=CC3=CC=CC(=C3)[S](F)(=O)=O,IPYFTGWWTSEXQS-UHFFFAOYSA-N
-E203D27FC935E5C6_9B670A0C8980158D_6039_UN,O(C1(CCC1)C#C)CC2=CC=C([S](C(C)C)(=O)=O)C=C2,MHXZVKHSCUVEMI-UHFFFAOYSA-N
-E25098261CFB383B_0F6E7ED39F2B784D_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC2=CC(=C(C(OC)=O)O2)C,GKWBZZOZYKARNE-UHFFFAOYSA-N
-E56FD43AD1F4D381_921ACF8846A7142D_6038_UN,CC(OC(=O)C1=CC=C(O1)[S](=O)(=O)Cl)CC(C)CCC=C,QMPOGBKGGLQXFK-UHFFFAOYSA-N
-EAF07EFCC79F8DCC_A9DDA131CFA81343_6038_UN,CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,QHXHBBQPVZNDPK-UHFFFAOYSA-N
-ED67EF27820C026A_57357B95152BC2FA_2267_UN,O=[S](=O)(NCC#CC1=C(C(N)CO)C=CC=C1)C2CC2,VISQAANAPCMBSO-UHFFFAOYSA-N
-EE521B2FC875586D_55C097F57F620E21_6038_UN,CC2=C(OC(C(OC)C1=C(C=CC=C1)F)=O)C(=O)OC2,URSYFJDWLHITGH-UHFFFAOYSA-N
-EF038BBFC4E3CE61_7692A274A6FA68FB_6029_UN,O=[N](=O)C=C1N(CCCS1)[S](C2=CC=C(C(C)(C)C(F)(F)F)C=C2)(=O)=O,UKOMUIGLWYLDOI-UHFFFAOYSA-N
-EFF5451E4F7F4405_B7AC1AA3EBC17721_6031_UN,C[N]1C=C([N](=O)=O)C(=N1)OCC(=O)OCCC#CC2=CN=C(C(OC)=O)C=C2,JSIONGPHRSLCLB-UHFFFAOYSA-N
-F2344D3881A8C6CC_D99EB4A077A3FDD1_2201_UN,CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4,DWWRQOVRSXJFSV-UHFFFAOYSA-N
-F4E9AA4A481AE631_7DE0A520719118DD_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C)C=CC4=C3C(CCO4)=O)(=O)=O,XWYQRNNFRNDXJR-UHFFFAOYSA-N
-F5957FE6C9F52BD5_DDA03238968B8EBE_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(N=C[N]3C)Br,CJEHLUHQCMUGBL-UHFFFAOYSA-N
-F61D06C59F75222A_465C6D8D3FEA3B7E_6029_UN,N(CCN1CCN=C1C(F)(F)F)[S](C2=CC(=[N](=O)C=C2)Cl)(=O)=O,MPFSNWRQHHPLKN-UHFFFAOYSA-N
-FA86F94804B5F965_D3C31A1131B091CD_6038_DP,OC(=O)C(NC(C1=C(NC(OC)=O)SN=C1C)=O)CCF,MDRNXVQNIJBSHU-UHFFFAOYSA-N
-FC6D3D6A4F810653_FC1AABB60B6F1428_6028_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NN=N[N]3CC4CCN(C)C4)(=O)=O,MJOIUJFINJPSSJ-UHFFFAOYSA-N
-FCD25D6611D1198C_5F45D3C088FB8899_6038_UN,CC1=NC(=C(C=C1)OC(C2(CC(OC)=O)CC2)=O)[N](=O)=O,YLTMZWGDBUAICR-UHFFFAOYSA-N
-FCF16432F9D37D99_0D094848986FAE4C_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,CMJPKIJLMQDTQO-UHFFFAOYSA-O
-FD08BB8EC18C8825_BCD3FBD9B82B033E_6029_UN,N(N2C=NC1=C(C=CS1)C2=O)[S](C3=C[NH]C(=N3)C4CC4)(=O)=O,VRODVCLHJRBEAI-UHFFFAOYSA-N
-0044DA96ED936586_4734DC3B405F9D6E_6034_UN,CN4CCC1=C(C3=C(N1C[C@@H](N)C2=N[NH]C=N2)C=CC(=C3)Cl)C4,MSAQRTLSTIQGSH-CYBMUJFWSA-N
-029F43E17B9C916C_E2918CEB7292FE1E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN=C(N(C)C)C=N2)=O)C=CC=C3,JUQUUMOHBUWEIT-DGCLKSJQSA-N
-035A293528654845_24DED59AFBED65C5_2201_UN,CC(C)C1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCOC4,DIFPWAMFHKJYGK-UHFFFAOYSA-N
-063EB4DC1E222AF7_84531751989CE1AC_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(C=C(N(C)C)C=C2)C(F)(F)F,KTXSMIFVDPITAV-UHFFFAOYSA-N
-08C6166D0EA04A6B_178F0DE15D9B1F91_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,HYDNTOAEZCEPID-INIZCTEOSA-N
-0B02DF1AD345F780_5BFF969EFEC88B19_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)Cl)=O,ZRQGSMXVAQLPCN-UHFFFAOYSA-N
-0BA0E3AC05299C00_3C9153126F7DECDF_6034_UN,NC1C2=C(CCC1)C4=C(N2CCC3=CC=C([S](C)(=O)=O)C=C3)C=CC(=C4)Cl,LKBRKFMLSKEHRX-UHFFFAOYSA-N
-0EDC80477EE646A4_D73684F6053968A5_2875_UN,COC1=CC(=CC=C1)C2(CCC2)[N]3N=NC(=C3)C4=CC=CC(=C4)[S](C)(=O)=O,QRINTKAARFQMSO-UHFFFAOYSA-N
-109B1663DE781FCD_022B688D4BD0CCE5_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(O)CNC3)Cl,NFKBCLHKIJEFHN-UHFFFAOYSA-N
-1111F4C40F93175D_8C7D9ED94B9F9133_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C3=NOC(C)(C)C3)=O,WNNUGDXXOBUQTP-UHFFFAOYSA-N
-11448477F91EB199_2FCB4F487B26AF4F_6035_UN,O(CC1CC12CCC(F)(F)CC2)C3=C(C[S](C)(=O)=O)C=CC=C3,ZDVPOTSLLCUOOP-UHFFFAOYSA-N
-1170C902BB2C3E66_D59B523F2DD8FB33_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(C(C)C)[N]2C3CC3)(=O)=O,UTFLANIGFGPWQK-UHFFFAOYSA-N
-11AB898B810E158B_925E37B26F6F6B45_2875_UN,N2=N[N](CC1(CC1)C#N)C=C2C3=CC=C([S](F)(=O)=O)C=C3,HBBCRECDZGLSOT-UHFFFAOYSA-N
-11B23190A69D466F_7FB743864EDFF6DF_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC3=CC2=C(C(=CC(=C2)Cl)Cl)OC3,PMDDDNNRXUJDCO-UHFFFAOYSA-N
-11E13334C551C6B1_5ADC27085B39C198_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](C)(=O)=O)C=C2)CC3)C=CC=C4,XGNQYGBGABRQIB-UHFFFAOYSA-N
-13AF28AF7CDC26BF_F877189B74FEDF71_6041_UN,FC2=CC(=C1OCOC1=C2)N[C@@H]3CN(C)C[C@H]3C4=CN=C[N]4C,UXKMOZLGORPOOB-DGCLKSJQSA-N
-15CF6D6022349554_AAA35CB16D98AAC0_6034_UN,CN5CCC1=C(C4=C(N1CC2=N[NH]C3=C2COCC3)C=CC(=C4)Cl)C5,BKPIENGGVCESCW-UHFFFAOYSA-N
-196FA4CC2DCB8541_0BBB4812CE548C2B_2875_UN,CCO[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,JZUXNCZVJAKXKZ-JOCQHMNTSA-N
-1A375B69AA5C83AA_A0584FFDE8C59DDF_6041_UN,CC1=NC(=C(C(=C1)C)N[C@@H]2C3=C(OCC2)C=CC=C3)C,WFBSIKBLLYPATE-HNNXBMFYSA-N
-1ADA821C03498599_B7FC9D6CF340B69B_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC(C)C3=CC4=C(C=C3)OCO4,GAIPOTZWGIICNQ-UHFFFAOYSA-N
-1B9C7C6E5A0FB4B7_2F22CEFD3C94C797_6034_UN,C(CC1=CN(C2=C1C=CC=C2)CC3=CC=C([S](C)(=O)=O)C=C3)N4CCNCC4,SWUSGTJJUQEDAT-UHFFFAOYSA-N
-1C000A79EE3F3D9A_A336559377D8A468_6003_UN,CC2(OC1=CC=C([S](CC)(=O)=O)C=C1)CCC(F)(F)CC2,CXBNQHZARKQECT-UHFFFAOYSA-N
-1E9B5E75D3814E6F_4B1D263F8B259FA2_6029_UN,CC1(CCC(CC1)N[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O)C4=CC=CC=C4,ATFLHRYSNCRQGB-UHFFFAOYSA-N
-1F347E482B05DFCF_FFA01A40F9FC9A62_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,MRKKKPBQNQHXCL-UHFFFAOYSA-N
-201332DC41C49411_8812B078206AC025_6038_UN,CC1=C(C=C(C=C1)OC(C3(C2=NN=C(C)[N]2CC3)C)=O)[N](=O)=O,WESKFAARWBDDGX-UHFFFAOYSA-N
-240A4865F183A657_4F2AB1B366D2249A_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=C(OC)C=CC(=C3)C(=O)N4CCN(C)CC4,LATANZFQXWTARC-UHFFFAOYSA-N
-24A0B29DCD4D28D4_C0F296D05AD5BF07_7013_UN,CC(C)[N]2C1=CC=C(C=C1N=C2C3CC=CCC3C)C,OHBASRKXCPIRKU-UHFFFAOYSA-N
-26623D9F9AD85C67_AAA155966463426A_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC3C(C)COC4=C3C=CC=C4)C,KXUBRUOWDUTCTD-UHFFFAOYSA-N
-27FC0A60786617B7_9B1A750B52FCABA0_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CCC2)N)CC3=CC(=C(C=C3)F)C4=CC=NC=C4,DSJJBWHLTUTKQI-UHFFFAOYSA-N
-287F8E21F4BDB57D_81471883315B5AA0_6026_UN,[S](=O)(=O)(C1=CC=CC=C1)NC2CCC(C)(C)C3=C(C2)C=CC=C3,KXFDWTMDLGOXLU-UHFFFAOYSA-N
-288798A9B0157D4A_4415ABC92500452B_2201_UN,CC(C)C=C3CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,FLPAOMLOUZGHEN-UHFFFAOYSA-N
-2B0AFB7726961449_5C1DC6521D23731E_6034_UN,C1CC(NC1)C2=NC(=CN2CC3COC(=O)N3)C4=CC=CS4,IGFUIZRKGYLKCN-UHFFFAOYSA-N
-2B3DF0562A63971D_618DFD4169337B79_6038_UN,CC1=C(C=CC=C1OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,BYOWIHOJRXPWQS-UHFFFAOYSA-N
-2BCEADDD00A8A799_86645F8948FF9EA8_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(C=CC(=C2)F)OC3=CC(=CC=C3)Cl,TUXMBQGJYDKTTN-UHFFFAOYSA-N
-2C3E187F5E1A7D88_EB6783E8AF7CA264_6003_UN,CC2(CCOC1=CC=C([S](Cl)(=O)=O)C=C1C#N)CC2(F)Cl,YEAZASOYAXDUTG-UHFFFAOYSA-N
-2E067DF35CDCE894_7D97FB297873A1DC_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C(C)(C)C)C=CC=C3,VHRJZJTUJWAVOZ-UHFFFAOYSA-N
-2E3871D3C0C80A4A_D8C20AFA797CF23D_6038_UN,CC1=C(C=CC(=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,NZIJXJXSEJKWET-UHFFFAOYSA-N
-2EFC578F78353C87_76C445454672EE17_6038_UN,CN(C)CC1=C(C=C(C=C1)CNC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,LEURHKJRXQWYKP-UHFFFAOYSA-N
-2F2FCBBE6463F783_E4C51729C8B29520_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,DXHQGTCOUGRMPM-UHFFFAOYSA-N
-3242607B648DFD27_8EE04325AB3E02C1_6038_UN,CC(NC(C=CC1=C([N](N=C1C)C)C)=O)C3=NC2=C(C=CC=C2)[N]3C,GJPIMGRDAMNGCM-UHFFFAOYSA-N
-34B2196A6A22DC7C_36A5C7D1BB3794B9_2875_UN,FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C4=CC=CC(=C4)[S](C)(=O)=O,VYBDPNNWSSFNGC-UHFFFAOYSA-N
-37C46C7D7AF8FBAB_49A6FA1A963FCFF5_6039_DP,N1CC(=CC1=O)OCC(N(CC2=CC=C(OC)C=C2)C)=O,YGSDQZACXLOGMF-UHFFFAOYSA-N
-3ECA53A583F5763B_9062E9E624767FBD_6039_UN,CC2(COCCOC1=CC=C([S](Cl)(=O)=O)C=C1)CC2(F)Cl,QIKZPLKTRQDWHU-UHFFFAOYSA-N
-3F3E4839E41543D8_8CACEE9C80CA3322_2875_UN,CC1(CC1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,ZIQQUCVTSKFFOI-UHFFFAOYSA-N
-40767B678D5EE7C2_C4BB139B45F8227D_6041_UN,C1(=CC=C(C=C1)C2=CN=NC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,CYCXSBJDUVONLA-UHFFFAOYSA-N
-409B721D3E3D92A0_111B06FD9361A30D_6003_UN,CC2(C)CCC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)CC2,QEUXROCKJOQIFS-UHFFFAOYSA-N
-40CD5E2D8C00FE2D_4375B0C3274D4842_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N4CC(C3(C(F)(F)F)N=N3)C4,REPDUJMSZUXEOK-UHFFFAOYSA-N
-4256C846E1277885_8B82DBB42A6FAD88_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C(C)[N]2C=NC(=N2)C#N)=O,KYEINCHISRXHSC-UHFFFAOYSA-N
-42772B5213B9FDC4_2D4250A11A85B40E_6029_UN,N(CCCC1CCCCC1)[S](C2=CC=CC(=C2)C(F)(F)Br)(=O)=O,BPXQSVHRYQBGFB-UHFFFAOYSA-N
-42F7CDC68D101F62_7880C6C9EF37EE93_6041_UN,CN1N=CCC2=C1N=CN=C2NC4=C(N3CCN(C)CC3)C=CC(=C4)F,BRYVBUNXLNUUJA-UHFFFAOYSA-N
-4386C300D57D231A_099D057D0C7B0187_6029_DP,CC1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC(=CC=C4)Cl,QUUSFCBRWJGLBL-UHFFFAOYSA-N
-440EC960095DBCE6_81F58DEC55206C94_6041_UN,CC1=CC(=NC(=C1)C)NC2C(C)COC3=C2C=CC=C3,AZFNGHBKLUYLQI-UHFFFAOYSA-N
-46B8B097DFC15372_A6F4AE3A5DF460DC_6039_UN,O(CC(Cl)(Cl)Cl)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,CHJMJOSGDAVBBS-UHFFFAOYSA-N
-46BD509063A0E168_393692CC55F7A5F7_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=NN=CS2)C=C3,STPGQFUTDVXMOL-UHFFFAOYSA-N
-46C7384482210CB1_E026E26268D85D91_2875_UN,N2=N[N](CC1CCC(=O)O1)C=C2C3=CC=C(CC)C=C3,FBEQEZAMUURIFX-UHFFFAOYSA-N
-46D25DC24C39B10F_33E59ED91C7C8135_6026_UN,CCCC1=CC(=CC=C1)[S](=O)(=O)N3CC=C(C2=CC=C(C)C=C2)CC3,WPQGXUFCPFRBNX-UHFFFAOYSA-N
-470C51FBB2B711A7_C15242362047635F_6041_UN,CC(C)C1=NC(=NC(=C1)C)NC2C3=C(OC2)C=CC=C3,QVDZAQRFYFXWDJ-UHFFFAOYSA-N
-4758C314A729D6EF_295709AA1D4B60BB_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=N[N](C)C=N5)(=O)=O,SIPZOGCZXFRYNH-UHFFFAOYSA-N
-47E812D160548379_37A54504A8EAB726_2875_UN,N[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3=CC(=CC=C3)C4CCC4,NTQIVOYZKQFGSN-UHFFFAOYSA-N
-488A86A666D25E95_505295B3126308E2_6029_UN,OC1(CCN(CCC1)[S](C2=CC=C(P(Cl)Cl)C=C2)(=O)=O)C3=CC=CC=C3,ITNWDBTWMSBIOS-UHFFFAOYSA-N
-496BC06EF667D3B3_790783BD16E34E40_2875_UN,FC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C3(N)CCCC3,MSYWALFIBGWHHV-UHFFFAOYSA-N
-4AF1750B4C9F2D3B_1A2DFC820429068C_6029_DP,FC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,SPMDDMBYDPKBKG-UHFFFAOYSA-N
-4F4911E392FEC4DB_4F58E3ECC7789879_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(COCC4)C5=NN=N[NH]5,RZYBIVOEQPCDQG-UHFFFAOYSA-N
-544E264A836CDEA0_44DA1FA0462E5E07_6034_UN,CC(N)C2=NC1=C(C=CC=C1)N2C[C@@H]3CCO[C@H]3C4=NC=C[N]4C,ALMPFKGWMWNZIT-XBUJOUKBSA-N
-5743203D5523B117_8F5B976FC9CA4CBF_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OC)C=CC(=C3)C(=O)N4CCN(C)CC4,PZTROCBMVDFRPZ-UHFFFAOYSA-N
-59F8F4573688F171_49A8542E3020D885_6038_UN,CC1=[N](C=C(C=C1)OC(CCC3=C([N]2N=NN=C2N=C3C)C)=O)=O,LIXQWTUVAMKVTP-UHFFFAOYSA-N
-5A4095E0641F6C99_88AC4A2D8F9996A1_6039_UN,OC(=O)CC(OCC1=CC=C([S](Cl)(=O)=O)C=C1)(C2=CC=CO2)C(F)(F)F,AOUXTUXCDZEUOJ-UHFFFAOYSA-N
-5AC1E8954F3622D9_5A4A104C6F3CC988_6029_UN,CC1(CC(C1)N[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C4=CC=CC=C4,VPGFZSXMXOMTPW-UHFFFAOYSA-N
-5BE4084739342FAD_9E67B1313877E11F_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C3=CN=C(N(C)C)C=N3)=O,LYCOSSDPIRHIFC-ZDUSSCGKSA-N
-5BEE68A19844D10B_3BB07E0938B1251D_6029_UN,CC1=CCCN(C1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,JMWQLMWDLQCZRG-UHFFFAOYSA-N
-5D98165A8257C5DF_A846F3446D3C42FB_6029_UN,N(N1C(CC1)=O)[S](C2=C(C(OC)=O)C=CC=C2CCl)(=O)=O,XYTSOKSUFOJGDS-UHFFFAOYSA-N
-5E731BFA87904DDA_6C53E77A79650158_6004_UN,CC1=CN=C2[N]1C(=C(C=C2)C3=CC(=C(C=C3Cl)C4CC4)C)C,ZMWVJFJXPZGCOD-UHFFFAOYSA-N
-5E87785A8065BBB8_CB22EA518610EDB4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C)C=CC=C3,STLMNZVBCJVQOZ-UHFFFAOYSA-N
-5F38BA62BEB05A95_3A17D1794B9D31F3_6029_UN,CCC=C1CN(C1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,DQIXZQQASXJQBD-UHFFFAOYSA-N
-5FC7878403FF7A5D_5840B94DAD556404_2875_UN,CC[C@@H]([N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)F,KBRJUKFXMQIQSS-CYBMUJFWSA-N
-62FD276ADCC1580B_2F538CCD9DAE7D58_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OCC2)C(=CC(=C3)F)F)N(C)C,BXGNIUMKXJSTGG-CYBMUJFWSA-N
-630512C3E6FCE2C1_CDB8CE6E7C22D0E5_6038_UN,CN(C)CCOC1=CC=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,FTEUXJTYDYSIAV-UHFFFAOYSA-N
-630F57FB526CCEAB_FF27CCAD447D1D87_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NN=C(N(C)C)C=C2)=O)C=CC=C3,CDQYEKGYRVRJEV-BXUZGUMPSA-N
-63263161B94F45EF_F3D45F8FA21406CA_6041_UN,CC1CCC(CC1)OC2=NC(=CC=N2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,RSXMRFVTLAKIDT-DQPZFDDXSA-N
-63DD5ADB824F9098_E0928AC8F705F084_6038_UN,CCCOC1=CC(=CC=C1)OC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,DGOTZKDQNYMRPG-UHFFFAOYSA-N
-63F2044EE4C1E33D_4818D72118F79331_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C)C=C2F)F)=O,WOVUWJGQLNOMFL-UHFFFAOYSA-N
-64825E1E99980FB0_9519DF3A8B9DC34A_6041_UN,OC(=O)COC1=C(SC=C1)NC2=CC(=CC=C2)N3CCOC3=O,CRKGQPNWYOLRTF-UHFFFAOYSA-N
-68450C5372019540_BEA250357D71863F_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)CC(CC)N,PZHIGXASHAYRMH-UHFFFAOYSA-N
-6B095274CF4FF378_D47FF512720B9B9E_6041_UN,CC4=NC1=C(C(=CN=C1)NC2CCN(C)C3(C2)CC3)[N]4C,IVZGUHNNVHNIGL-UHFFFAOYSA-N
-6C15AC16426303BC_86815A55ADEAEFA2_2875_UN,CN3CCN(CC[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)CC3,BGDQGAATFVZDOR-UHFFFAOYSA-N
-6CDF85C0691AAD18_326489B0ACF08455_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(F)C=C(C=C2Cl)Cl,XEPDBMVCEIZRSQ-UHFFFAOYSA-N
-6D0C7A3FC8CD22DC_7BA1FBCD79740CC6_7019_UN,CC1CC1C=CC3=C(C2=C(C=C(C)C=C2)C)C=CC=C3,QAXLXPSDOWECLN-UHFFFAOYSA-N
-6DB2BEBA98B1500F_65695C4241133DD2_6041_UN,CC4=NC1=C(C=C(C=C1C)NC2C(C)CC3=C2C=C(C=C3)C)[NH]4,OTPNAMDKHSIJFB-UHFFFAOYSA-N
-6E1D53881E51D336_8D6E39FCE1E95045_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(CC)(F)F)C=C3)(=O)=O,GINTUYWHVRXJRO-UHFFFAOYSA-N
-6E7032370250019C_FF2A24C1AA986912_6035_UN,O(CC1=C(C=CC=C1)C2CCC2)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,DSMCZWQALSEFDS-UHFFFAOYSA-N
-6F826FD4DCECF9E0_4DC7A8B0C203AF7B_7022_UN,C1(=C(C=CC(=C1)C(F)F)Cl)NC2CCCC([S](C)=O)C2,LZPCPTDZMDTGRK-UHFFFAOYSA-N
-6FEAE3C6E1C5F074_86356DFEBCC004C7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CCC(C)(C)C=C3,CDXPLOFAFGWZBP-UHFFFAOYSA-N
-6FF2AC584A8589A4_039AD232DC282C6E_6038_UN,CN(C)CC(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)C,ZDJDGPVTCPKZIG-UHFFFAOYSA-N
-700E7BD18182622F_E4896E9BEA27149B_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)C3=CC=CC(=C3)[S](C)(=O)=O,RRIVCIVMTFFCFC-CHWSQXEVSA-N
-7316D68D5EA59246_6EF64C23B14AE936_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)CC(CC)N,TVCYYWIEQJUVQC-UHFFFAOYSA-N
-74BA00AF55B15658_9674D0050A1EC59D_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)CC(NC)C,ZQRASOPQEFOBRO-UHFFFAOYSA-N
-77E05F6AE5905498_D13FDF1CFC513729_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,AOPGVEHEGXXRJP-OAHLLOKOSA-N
-7844A19EE0652C72_623635CE9BD132EA_6041_DP,CC1=N[NH]C(=C1NCC2=CC=C([Si](C)(C)C)C=C2)N3CCNCC3,NTTITMFBWKWACP-UHFFFAOYSA-N
-79AE28DCBF566DC5_9029E58954205B5C_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3=CN=N[N]3C,LBLCITGZBIAKSV-SNVBAGLBSA-N
-7AA4A20F47843C86_5C9889EDB811AF5B_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4=C(C)C=C(C=C4)C5CC5,MFSFEUMKMJSQAY-UHFFFAOYSA-N
-7B9303372C938D8B_08A56DF673CE6A4F_6038_UN,N(C1C2=C(OCCC1)C=CC(=C2)F)C(C4=CC3=NC=NC(=C3C=C4)N(C)C)=O,GRDOLXQTGUHOAW-UHFFFAOYSA-N
-7C24EB170C88F5B4_75DC7603FDF87CB0_6041_UN,CC2=C(C=C1N=C(C(=CC1=C2)C)NC3C4=C(OC3)C=CC=C4)C,FASXQKIFYQVZDO-UHFFFAOYSA-N
-7D160E017D69AFDD_8AC074F07FD9EF53_6026_UN,CCC1=CC(=CC=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,IOEDQGGESQEXSG-UHFFFAOYSA-N
-7DD961D9D2A4A060_DDC6CC47F810B100_6041_UN,CCC1=N[NH]C(=N1)NC2=CC(=C(N(C)C)C=C2C#N)C,WXEFLMHSLPAGHT-UHFFFAOYSA-N
-8190E48CBF228187_EA327949C3907547_6038_UN,COC1=C(C(=CC(=N1)C)C)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,NHSDQJYJSKJQLJ-UHFFFAOYSA-N
-8390243B7A2A5913_9D6B20E0867AE700_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NC4(C3=CC=C([S](C)(=O)=O)C=C3)CCOC4,PNXNWDHCOXBJSV-UHFFFAOYSA-N
-8456D62BD232922B_510B8C0F32BAF47E_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC3=C(N(C)C)C=C(C=C3)Br,CASAARQJHREGKG-UHFFFAOYSA-N
-8541DA294057572B_4C9C06713AB55CF9_2875_UN,ClC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C3(N)CCCC3,KMCQJWCITOPQMX-UHFFFAOYSA-N
-869384EE5D111E0A_6CD5C1F2988D5047_6028_UN,BrC1=CN=C(C=C1)C2CN(C2)[S](C3=CC4=C(C=C3)OCCCO4)(=O)=O,OCYKSVWGZDIMBZ-UHFFFAOYSA-N
-87B80A05B9F29C11_33C2F97BDA9D8CB6_6038_DP,CCOC(=O)C(NC(C2=C[N](C1=N[N](C)C=C1)C=N2)=O)CCO,BZPKMRAFNOVPNO-UHFFFAOYSA-N
-87EEC62B2C2921C3_B4D70C34D044E535_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(N(C)C)C=C2)F)=O,CZMBPEASSFDMPF-LLVKDONJSA-N
-8A35B9CA7F908717_EF9C19B026FA43C3_6034_UN,CC1=CC(=O)N(C(=N1)N2CCNCC2)CC3=C(N(C)C)C=CC=C3Cl,TWXQVMKPESQQQI-UHFFFAOYSA-N
-8A84E391D17D19E1_DEDB4C442EABE647_6029_UN,CC2CCC(CN[S](C1=CC=C(CCF)C=C1)(=O)=O)CC2,HCVAOVOXKXXMML-UHFFFAOYSA-N
-8AE813164FE753DB_6CB1E447A96805A5_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(P(Cl)Cl)C=C3)(=O)=O,LNXJRDHSFQVENR-UHFFFAOYSA-N
-8B5C382A43AC3929_74F1CDF17D81D4C5_2875_UN,N[C@@H]1C[C@H](C1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,LFEIXDBZRJNUJD-CTYIDZIISA-N
-8ECF79331F2195AD_557B093AF5BE0C44_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=N[NH]C(=C2)C3=C[N](C)C=C3)=O)C=CC=C4,OWDBDEVBSUQOFH-MLGOLLRUSA-N
-8EDF3C3BE7C8EFDB_6D754C9FDB87C97C_6038_UN,COCC(NC(=O)CSC1=[N](C=CC=C1)=O)C2=NN=N[NH]2,YGBZZYPVJTVWOZ-UHFFFAOYSA-N
-91A1BD6F8C27A0A3_CC0ABE3EA73F1BDD_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCCCC2CC3=CC=CC=C3,YMORMPLDBGBJDM-UHFFFAOYSA-N
-98D10240B0D6CB06_67634C7CCCCB7D9C_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=C[N](C2=C[N](C)N=C2)C=N3)=O)C=CC=C4,ZJDAFNUFONWIRT-IUODEOHRSA-N
-9BA297288BEA6F96_E4895829B725EBF4_6029_DP,OC1CC(C1)CN[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,IPXSHBABVWZKMW-UHFFFAOYSA-N
-9BAA4BC6519C1EB8_4C763E54852F4BAD_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=CC2=C([N](C)C=N2)N=C3)=O)C=CC=C4,OACJVDWFSFVCJE-BXUZGUMPSA-N
-9D7F6111DF3714C8_E0EBAE766A130B2D_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C([S](C)(=O)=O)C=CC=C2)[N]3C4CCCC4,FIVNZUZBXXRLDR-UHFFFAOYSA-N
-9DAB12ED7C3751A3_99509162E65AA737_6041_UN,CC(C)C1=NN=C(O1)NC2=CC(=C(N(C)C)C=C2C#N)C,HDBYTHCNOHIFNY-UHFFFAOYSA-N
-9F6263032605194E_88078DC86EED6B3D_6038_UN,C[N]1C=C(COC(CC(C(OC)=O)=C)=O)C(=N1)[N](=O)=O,OSWRIOYZFDDUGG-UHFFFAOYSA-N
-A33A87A91F0CF00E_4C8752CB3829F832_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC(=N[NH]3)C4CC4)(=O)=O,MCEKTKNKAMUNFU-UHFFFAOYSA-N
-A426F12F9428AC9B_0C0288A190290D7D_2875_DP,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C(N3CCNCC3)(C)C,DZJAAMBTHYPUIM-UHFFFAOYSA-N
-A8E06E43E3BA91B2_210DCAA88C7ED23E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCCC2)C=CC(=C3)F)C4CC4,SDMHTGKSFGDHNV-UHFFFAOYSA-N
-AB1D3C4E92102998_D53F6D2359E56568_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC2C3=C(OCCC2)C(=CC=C3)F)C4CC4,KNHWVQJOCUJHTE-UHFFFAOYSA-N
-ABBC9FF6C8E442BE_8FE61DFDD5DEAAD6_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=N[NH]3)(=O)=O,LIAJZKMMPBNNJM-UHFFFAOYSA-N
-ACB1AAEB60CC6691_BBE1CB7595286369_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=C(N(C)C)C=C3C#N)C)F,FKWBMZYZRZNYLQ-UHFFFAOYSA-N
-AD06C95649475013_CDC226F2BE129F7C_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CCCCC2)C3=NC(=NO3)C4=CC=CS4,MWFQIHSCVMVWFR-UHFFFAOYSA-N
-AE49E7B9C6AD87D6_276BAD4E42598EEE_2875_UN,CC[C@H]([N]1N=NC(=C1)C(N(C)C)=O)C2=CC=C(C=C2)F,KBRJUKFXMQIQSS-ZDUSSCGKSA-N
-AF67742752760E5D_78CCE2CCE97FF8CE_6041_UN,OC(=O)C2=C1OCOC1=CC(=C2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,ZPTWKQOCPNZDLM-UHFFFAOYSA-N
-AFB07A1D5FC817FC_44F632909A22781E_6038_DP,O(C1=CN=C(C=C1)F)C(C4=CC2=C([NH]C=C2C3CCNCC3)C=C4)=O,MTFPJVALAWRYKX-UHFFFAOYSA-N
-AFFB92A0124DB5B4_6483ABCD6E0F2904_6029_UN,N(C1(CCCC1)C2=CN=CC=C2)[S](C3=CC(=CC=C3)CC4CCC4)(=O)=O,MOVVGCBNSHFOHB-UHFFFAOYSA-N
-B24068620B5C7CFA_9CC118B40F5ACFCF_6039_UN,O(CCC1=CC1(F)F)CCCOC2=CC=C([S](Cl)(=O)=O)C=C2,VVIIRYUIYLEXCP-UHFFFAOYSA-N
-B29B3143B151D139_E7F011C3921DCEED_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=N[N](CC)C=N3)(=O)=O,VTEUGKMGYFYFAH-UHFFFAOYSA-N
-B5233B190D7A4B82_A1A9FB7BBD6E62C8_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,ZTTNBQRUIIHQPF-UHFFFAOYSA-N
-B66DDEFE6295A714_1D0F532CC8B0B5B9_6038_UN,CC(C)(COC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)[N](=O)=O,XMKKKOKXLOOWJM-UHFFFAOYSA-N
-B7ACFC0F11AC1578_FBC77AE1E27F9A52_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(Cl)C=CN=C3)(=O)=O,ZXSMBXNHQXEYIJ-ZFWWWQNUSA-N
-BA70FE7169F09D31_ED5CF194C0708FD7_6041_DP,C3(=C1C=CC=C2C(OC(C(=C12)C=C3)=O)=O)NC4(CCNC4)C5=NN=N[NH]5,JGJMMWQFMCQVHZ-UHFFFAOYSA-N
-BB07AC94732B2696_96BFC0BE2DCB3BAD_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCC(CC)CC3,UWVXSIBIPGARKJ-UHFFFAOYSA-N
-BBE51A99BF95D503_94216969F223A95A_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C(=CC(=C3)F)F)F)(=O)=O,FQULBXODRSNCAW-JLIMDTESSA-N
-BC080D6C7E4AD590_80EC94E289262BD5_6041_DP,FC1=CC=C(C=C1)C3=C[N]2N=C(SC2=N3)NC4=C([N](N=C4C)C)C5CNC5,JSRPNEJHSFBCFH-UHFFFAOYSA-N
-BD933063258FBAD7_41E5F9C4757862E3_6026_UN,O=[N](=O)C1=C(C=CC=N1)[S](=O)(=O)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,LCCBNJBJTJAEAL-UHFFFAOYSA-N
-BD9EC257D07CB359_32DCF86FA5C44B31_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C([N]2C)CC#N)(=O)=O,MMKDTKIIPUVUKK-UHFFFAOYSA-N
-BE563B11AC24D27B_EF0210F523B8C894_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=NC=CO3,CDRDILXCFLUJGY-UHFFFAOYSA-N
-C03B9B063BEB7311_C1BA2F0D8262543D_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CC[Si](C)(C)CC2)=O)C=CC=C3,ZBHQXJPIBSOCER-CZUORRHYSA-N
-C09E61D801B0DBB6_D944EE75BB766C94_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,ZBEUBMXUYBVZCO-MJHDQNEOSA-N
-C0AC24FE98E63170_CFF54CBE2EC9BF96_7013_UN,N2=C(C=CC1=C(C=C(C)C=C1C)C)[N](C3=C2C=CC=C3)C4CC4,QKZMVFWVDIUJPK-UHFFFAOYSA-N
-C0D3E8BD6C9D48DC_FC057571B8489695_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(OC)C=C3)[N](=O)=O)=O,BUMAXQWMXPUWFY-UHFFFAOYSA-N
-C1F35282B5C88BDF_86BACE1D51A54511_2875_UN,I[C@@H]1CC[C@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,KHGAMOCPTICUAU-HUUCEWRRSA-N
-C22E2C171CD4341A_0EF541ABCDF43163_6041_UN,CC1=NN=C([N]1C)N[C@H]2CCOC3=C2C=C(C)C=C3C,MWCOMWLSPLGGIH-ZDUSSCGKSA-N
-C37A01C2639CB587_2170003EAE8C57DB_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NCC4(C)COC3=C(C=CC=C3)O4,FZCLPIZPCMJYRR-UHFFFAOYSA-N
-C4B249DC691839EC_57B1B9B052E9F8E0_2875_UN,OC(=O)C1(CC1)[N]2N=NC(=C2)C3=CC=CC(=C3)C(C)(C)O,LKXODEAXONFWSM-UHFFFAOYSA-N
-C60C55C4596205EA_B1C04B6DCD8E8679_6038_DP,N(C1=CC(=CC=C1)C2=NOC(=O)N2)C([C@H]3CSCN3)=O,ZNYFUAXACWKDHU-SECBINFHSA-N
-C64FC9B627C218F0_B0ED0E8885F41044_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(C=CC(=C2I)Cl)Cl,IEFJLWLXFQVINF-UHFFFAOYSA-N
-CA24ECC5CA79AC21_45FB4BB543B418DC_6041_UN,CC1(CC1)C2=NN=C([NH]2)NC3=C(N(C)C)C=CC(=C3)F,HVPGEGBBFDNEEH-UHFFFAOYSA-N
-CA2DEC9591E84686_20D697554CDC59E1_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC=C(OCCN(C)C)C=C2,XXPKGYMYZHNVAB-UHFFFAOYSA-N
-CF8568BA8CD4E219_3505693FFE2F956E_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC=CC=C3)=O,QWKJDUFEWZLYOC-UHFFFAOYSA-N
-D08207171EBABA91_5BB71A87D8C1475A_2875_UN,O[C@@H](C[N]1N=NC(=C1)C(CCC)=O)CC2=CC=CC=C2,DPBNRNFYCZEYFT-CYBMUJFWSA-N
-D167D29304A4711B_58A50BE2220D3B12_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN(C)C=CC2=O)=O)C=CC=C3,TUSSJPBWEKKZOT-BXUZGUMPSA-N
-D282BE0764FEAF01_C2D05D40E9CF42AE_6035_UN,O(C1(CC(Br)C1)C(F)(F)F)C2=C([S](C)(=O)=O)C=CC=C2,MENIJURBPNLASX-UHFFFAOYSA-N
-D2D034C5F15A5FFA_137B7E35B99E68E7_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(F)C=C2F)F,ZRTDNQCHXPFHRJ-UHFFFAOYSA-N
-D4F858D3FCE20E03_5D36A17A727C44EA_6038_DP,OC(=O)CNC(C1=N[N](C)C(=C1)C2=CC3=C(C=C2)OCO3)=O,RITCTNWBTFKOGX-UHFFFAOYSA-N
-D5480064CED07722_6008CB30339C0F98_6039_UN,OC(=O)CC(OCC1=CC=C([S](F)(=O)=O)C=C1)(C2=CC=CO2)C(F)(F)F,OJIJAFYCZRABID-UHFFFAOYSA-N
-D5AD1F96FA6094D3_91540B72BE29B614_6034_UN,CN4CCC1=C(C3=C(N1CC2=NN=C(C(C)C)S2)C=CC(=C3)Cl)C4,QKXKHEAFFJJACT-UHFFFAOYSA-N
-D6C502C5C91F9E12_7F2CFDE996D12F19_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C5=C(C(=N3)C4=CC=C(C=C4)Cl)CCCC5)C#N)(=O)=O,PJBGFNQMHCAQRD-UHFFFAOYSA-N
-DAC19A173B047202_0B94B6F4453BFD87_7005_UN,N2=C(C1(C)COC(=O)OC1)[NH]C3=CC(=CC=C23)C4=CC=CS4,UPFSQQBEWHJYCV-UHFFFAOYSA-N
-DAFB6F42837C89F0_36CC247422B8155D_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC3=C(N(C)C)C=CC=C3Cl,KURSAOHRLGVMMG-UHFFFAOYSA-N
-DC41A3728A9568DB_E11268A3D4A4422C_6038_UN,CC1=CC2=C(C=C1)[N](C)C=C2CCNC(=O)C3=NC=CC(=C3)C4CC4,LBDUKENBAXSQHV-UHFFFAOYSA-N
-DC58C81D66776D5C_7F7FA93E617619C2_6038_UN,CN(C)CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,FLZOBRNSCLSTKU-UHFFFAOYSA-N
-DF1FD2EDFC47AAE4_078FA37ABC5270D2_6026_UN,CCC(C)(C)C1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(C2)F)C3,IHYBMUSRSYBICF-UHFFFAOYSA-N
-E0C81C579BE04EE8_DEBCEB759E7DF5C8_6035_UN,CC2(C)CCC(OC1=C([S](C)(=O)=O)C=CC=C1)(CC2)C#C,HWTOGMUZAMVFEC-UHFFFAOYSA-N
-E14B5DC668FFC3A5_F109D13C416A7F5E_2875_UN,C[C@H]([N]1N=NC(=C1)CNC(=O)C2=CC=CC=C2)C3=CN=N[N]3C,DBSHTZGGICOMIT-NSHDSACASA-N
-E1B0EA938B8FF788_3E72F6E8D095A036_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)CN(C)C3CC3)(=O)=O)C5=NC4=C(C=CC=C4)S5,MHFUCZHQGBDFIU-UHFFFAOYSA-N
-E1D4B37312DD47DF_1F9DEED374798963_6038_UN,N(C1C2=C(OCC1)N=CC=C2)C(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,LWPIHNZXACPUAF-UHFFFAOYSA-N
-E31D1F598D0A0CE1_F9359CB8FDD20DF6_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2OC)F,TUPQIHXZGKDCJR-UHFFFAOYSA-N
-E42AE5AA76D330D8_DEE941B42C84DA8E_6038_DP,N(C1=CC=C(C=C1)C3=NC2=C(C=CC=C2)S3)C([C@H](C)NC)=O,JAAGTOGKWANOPC-NSHDSACASA-N
-E55030B7B210651B_516B3AF1D29EFD05_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC(C3=CC=C(C)C=C3)C4CC4,KUYBJITZPZLQDC-UHFFFAOYSA-N
-E55D3D552C428171_14D83D0AB06086B6_6029_UN,CC1=C(Br)CN(CC1)[S](C2=C(OC)C=CC(=C2)I)(=O)=O,JXJMLWPJUFYPGX-UHFFFAOYSA-N
-E58EA0BB712A2ED8_917E6800FD527EA3_6038_UN,C[C@H](NC(C1=CC=CC2=C1N=C(N(C)C)O2)=O)C3=NN=C(C)[NH]3,RHGPUKIWOIGHON-QMMMGPOBSA-N
-E7097B56D370E061_8CB44D3F3B585E2E_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C)[N]2C=NC3=C2N=CN=C3N)=O,QFLGFMSZLJPUNN-UHFFFAOYSA-N
-E71434E79404A99B_218610BC1E079C5F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(O)COC4,QVAHWCJNXNJMFF-UHFFFAOYSA-N
-EAC44CD43ACDAF37_9284384C9F3CBB47_6029_DP,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CN=C4[N]3CCNC4)(=O)=O,YTIIRFLKRGVHHT-UHFFFAOYSA-N
-EC8F8B0FF47E4E30_996FB798565646A1_6038_UN,C[N]1C(=NN=C1)CC(NC(C2=CC=CC(=C2)B(O)O)=O)C(=O)N,ZPVFVCXVDFUECJ-UHFFFAOYSA-N
-EC9AC34A9A59E618_BFA89E9104003DF4_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=CN=C(C)C=C3,PKWUCAMCWRJFBN-UHFFFAOYSA-N
-EE088AB5FE1BBEBB_A328420849E068DB_6029_UN,CC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,ODIQKCNJTFCFKR-DOTOQJQBSA-N
-EE5F2E5114EACAF4_573AE14B7797B4B7_6041_UN,OC(=O)CC1=NC(=NO1)C2=C(C=CC=C2)NC[C@H](O)CO,NXLJDXIYHVFVIM-QMMMGPOBSA-N
-EE982E3EDE91FA98_0A175AB7381A2145_6038_UN,O(C2=C1C=C(C=C(C1=NC=C2)F)F)C(C3=CC(=C(C=C3)N4CCOCC4)C)=O,JYXPQLCPIHQHKB-UHFFFAOYSA-N
-EF3A18B4ED542B52_440152FE485EEBA4_6034_UN,CN4CCC1=C(C3=C(N1C[C@H](C2=N[NH]C(=N2)C)N)C=CC(=C3)Cl)C4,QQDWQOBIKPLCMK-CQSZACIVSA-N
-F20F76E028DD7F26_D3029F1551EA99A5_6038_UN,CN(CC1=C(C=CC=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)C(=O)C,CPTRGNRXMCPGOB-UHFFFAOYSA-N
-F239EB4BC6A9E51A_AD78C8E92FED9DE4_6029_UN,N(N1C(CC1)=O)[S](C2=CC=CC(=C2OC3CC3)F)(=O)=O,WANGIQYQAHJQNM-UHFFFAOYSA-N
-F3A99525AF2BAC6F_57F89AAA837025BF_6041_UN,CC1=NC(=C(C(=N1)C)C)N[C@@H]2C3=C(OCC2)C=CC=C3,YWTPSASLXCYDSJ-AWEZNQCLSA-N
-F57C8DAD30CB8284_4620CC13C625AA94_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)CC(NC)C,YIEVPUBYKMRNDB-UHFFFAOYSA-N
-F5F5342DFE6182CE_0CE528B7DD97B1E3_6029_UN,C=C1CN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,ZADFJOSSARVQNV-UHFFFAOYSA-N
-F76E1F61C12ADCFA_E3E9C6E321E2AA38_6003_UN,CCC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)C2=CC=CS2,LCLSCNYMNQMGJC-UHFFFAOYSA-N
-FAEF832F831CC5CE_D42342D2EE8C2DEE_6006_UN,C2(=C1CCCCC1=NC=C2)C3=CC=C([S](C)(=O)=O)C=C3,ZCBHXZJSTXSSMR-UHFFFAOYSA-N
-FB07BDDABA8F6381_3D9695E124613643_6026_UN,O=[N](=O)C1=C(C=CC=N1)[S](=O)(=O)NCC3=C(N2CCN(C)CC2)C=CC=C3Cl,MBPPRMJNWWDRRZ-UHFFFAOYSA-N
-FC48AF47E4EF0E5C_6589FD0BE0141A72_6034_UN,COC1=C(C=C2C(=C1)C4=C(N2CC3=CC(=NO3)C(N(C)C)=O)CCNC4)Cl,FILCJCZKFDQCOQ-UHFFFAOYSA-N
-FD857EAA37B8DFDB_A8C618E53B663592_6039_UN,O(CC(Br)(Br)Br)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,RTBHMMXOMRWNRE-UHFFFAOYSA-N
-FF30F3C2B6C7CC43_62E94FE94C2727B5_6038_UN,N(C1=C(C=C(C=C1)N2CCCCC2)F)C(CC3=CC=C([S](C)(=O)=O)C=C3)=O,AKNRXAZEBOMMBG-UHFFFAOYSA-N
-FF655D8C18186FDC_491E5E62C27F4F64_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,UBTDFTTXQMQONX-UHFFFAOYSA-N
-rxn:2:164410:76140,CC1(C)CCC(C2CCC(Nc3c(CS(C)(=O)=O)ccc4ccccc34)CC2)CC1,OCZBAJYLJCEJDA-UHFFFAOYSA-N
-004BE669C5FFCE66_E24B9A08CC431E5A_6038_UN,N(C1=C(C=C(C=C1F)C#N)F)C(C2=N[NH]C(=C2)CCCCC)=O,WFDBZLAIURQKBS-UHFFFAOYSA-N
-00B5F5BD8C554D9E_9D8DD2AF825328C2_6041_UN,O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)NC3=C(CC)[N](N=C3)CCC(C)C,HIRHWDBYXIZEJP-UHFFFAOYSA-N
-013F36383DDE4A6D_5AC0F39A36D76285_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(C=C2)I)(=O)=O,MOESZAJVFDVSLD-UHFFFAOYSA-N
-02A72FAC8A26F6AD_F502F9040A7B8237_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4)C(C)=O)=O,CIYKCYFBOLBDSY-UHFFFAOYSA-N
-02C12F9B1F85641A_668B65B139B9CA12_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=C([N]3C)C5COC4=C(C=CC=C4)O5)(=O)=O)C,HEDHSGCKTOAABV-UHFFFAOYSA-N
-06E1665A2312433D_37924F9A0DF7DF0C_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=CC(=N2)C#N)Cl)(=O)=O,CPKGJJBHZQCXBW-UHFFFAOYSA-N
-06F7535732F9EAD0_3BF3ED5BD033F73D_6035_UN,O(C1(CCNCCC1)C2=CC=CC=C2)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,SZJDZCZBOTUAOM-UHFFFAOYSA-N
-0A7C1E13CCA7C6C5_F01F395711978E47_6039_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)CC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3,VZTPMBHFQSOUIF-UHFFFAOYSA-N
-0AD0A4CBAF8901C4_81FF08A48559C7F0_6038_UN,N(C1=C[N](N=C1)CC2=CC=C(C=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,HKFDAWUBVNRRFU-UHFFFAOYSA-N
-0BC0E9DBAC128298_D449EEF775627276_6039_UN,O(C1=C(C=C(C=C1F)F)[S](=O)(=O)Cl)CC2=C(C=CC=C2)C3CC3,RIQBILZCLVHWPK-UHFFFAOYSA-N
-0DBE32FFE58B1410_A47AFB1C38E02926_6029_DP,OC1=C(C=CC(=C1)F)N[S](C2=CC=CC(=C2OC3CC3)F)(=O)=O,JHHFQTGOGXWCPC-UHFFFAOYSA-N
-0F3E1235D4BD2797_A731096B62B1F910_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CN=CC(=C3)N4CCN(CC)CC4)(=O)=O,LZKSFXMRQFJRHA-UHFFFAOYSA-N
-10119C93157FAC64_37B699CE3E235AC1_6038_UN,CN1CCN(CC1)C2=NC(=C(C=C2)NC(=O)C3=CC4=C(N=C3)C=CN=C4)C,IBVVRZAAYHUHKL-UHFFFAOYSA-N
-1053ED6B1DEA8B5E_FCFD2B61651C319D_6026_UN,CC1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)NC3=C(N2CCN(C)CC2)N=CC(=C3)Br,YQTKAILLFBBVCX-UHFFFAOYSA-N
-12B4F6C8C73C252B_5511F2971C681BAE_6004_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(C)C3,OGXZVFGCUWGONZ-UHFFFAOYSA-N
-12DE2DD0914734E5_F443199AD3DF737B_6029_UN,N([C@H]1[C@@H](CCC1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=CC=C(SC)C=C3)(=O)=O,HJKOCPBBQYPKEW-ZWKOTPCHSA-N
-14C2FF3418E6A9EC_8E7CD72B5FA24B66_6038_DP,CN(C)C(=O)COC1=C(C=CC(=C1)C)NC(CN2CCNCC2=O)=O,YOPGRIFYWVBZOZ-UHFFFAOYSA-N
-14FC8B78B9A60FFA_8E7F6818E28BD2F0_6039_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OCC3=C[N]2C=CC=NC2=N3,BOZUUMVJGUYNFK-UHFFFAOYSA-N
-15EC8A2EE5E101EE_02C716BEA6278A0F_6035_UN,C[Si](C)(C)C#CC(OC2=C1C=CN=CC1=CC=N2)CC3=CC=CC=C3,MDNKVIHFBLCMNU-UHFFFAOYSA-N
-17F85D7D81C03B9C_84F25CA37C512A63_6029_UN,CCOC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,KBXALZZLHCLDAS-UHFFFAOYSA-N
-1E7DCA78934D3E87_BDB3FDFE73B1EF5C_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=C(C=CC(=C3)[S](=O)(=O)N4CCCCC4)OC5=CC=CC=C5,OTFLMMLZPSIILG-UHFFFAOYSA-N
-1F17B2C7EDE56B96_00D05751A6B7CE2C_6029_UN,CC1=C(C)CN(CC1)[S](C2=CC=C(C(CC)=C)C=C2)(=O)=O,VHJUKDOVAIBHQL-UHFFFAOYSA-N
-2094E0E6B0D7BFEA_EA9E9102D68C0B31_6038_UN,FC1=CC(=CC=C1)SC(C2=N[NH]C(=C2)CCCCC)=O,IUVUPEJLVXFJEO-UHFFFAOYSA-N
-2101189BAEC1FAB7_BF408C902B3A066F_6006_UN,C1(=NC3=C(C(=N1)OC2=CC=CC=C2)C=CC=C3)C4=CC=C(C=C4)C5(O)CCC5,YPAZPPDPJMZIFT-UHFFFAOYSA-N
-25AE51332411177E_3CFE48C5648EE7F1_6038_UN,CN(C)C1=CC(=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3)C,VCNXPKNTWWTRHO-UHFFFAOYSA-N
-284472FC0D3426A1_EB0C74B4989A437E_6038_UN,N(CCC(=O)NC(=O)N)C(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O,ZUYVCWCEDAOWLE-UHFFFAOYSA-N
-2877A03CA3D73D1E_D34D15B271E96A43_6038_UN,N(C1=CC(=CC=C1)CCF)C(C2=N[NH]C(=C2)CCCCC)=O,FXBYPCDDONMCQJ-UHFFFAOYSA-N
-2B0E8C3600E5E4EC_04F1A52E2F14293D_6038_UN,O(C1=CN=C(C=C1)F)C(C2=CC(=NC3=C2C=C(C)C=C3C)C4CC4)=O,BSIZWYYBWOLYPS-UHFFFAOYSA-N
-2B9219D99432A302_D4CB12DD86C3F6D3_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=CC=N5)(=O)=O,VGJSCJUCXJLJSR-UHFFFAOYSA-N
-2BE74F60C644C3DF_811B88CE4B4237A2_6034_UN,CC2=C(C=C1N(C=NC1=C2)CC(C(C3=NC=C[N]3C)N)(C)C)C,PPOCGDNUDOWISP-UHFFFAOYSA-N
-2C956DC4E4CD7566_0BE4EFE68BB356EF_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC4=CC=C([S](C)(=O)=O)C=C4,HNRHSJQJYIUPEQ-UHFFFAOYSA-N
-2E318B5A2D6CB194_68C48A8324EE8811_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC(=C2)F)NCC4=CN=C(N3CCCN(C)CC3)C=C4,WNZDTUWSAIOZNI-UHFFFAOYSA-N
-2F5B9A52D96C85CB_B3A1CC2552E99810_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=CC(=C2OC3CC3)F)(=O)=O,LXUJIWSYMIJGTJ-UHFFFAOYSA-N
-2F66120381575DCD_7299426F176D2618_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4=C(C=CC=C4)Cl)(=O)=O,SPKUHOZJDUWZJJ-UHFFFAOYSA-N
-314514303D99EF57_851D1897DB12182F_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCC3(C[S](C)(=O)=O)CC3)C,KQJOGSWQRWGOHF-UHFFFAOYSA-N
-31DD6E30D883B7C5_F1CCD62C03268BBA_6041_UN,FC1=CC2=C(C=C1)C3=C([NH]2)N=CN=C3NC4=C(C=CC(=C4)C)O[Si](C)(C)C(C)(C)C,XKQPCNISBGPZHR-UHFFFAOYSA-N
-31EFB3BD3FBA67E4_ED0E43CF196C82D6_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NC5=C(C[S](C)(=O)=O)C=C4OCCOC4=C5)N6,HZEJVUCCAOSOQZ-UHFFFAOYSA-N
-32073A7193985A4F_29BD340AF9598FDA_6041_UN,C1(=C(N=CS1)C2CC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,VBHXYNAFUODGLR-UHFFFAOYSA-N
-34AC17DC6B849BBF_54006C7418137C28_6031_UN,O(C(=O)CC1=C[NH]C2=C1C(=CC=N2)Cl)CC[Si](C)(C)C,JXPIMGJNFOIIBO-UHFFFAOYSA-N
-3808CEEF12B5BA47_88BF732E9C113361_6034_UN,ClC2=C1C=C(N(C1=NC=N2)CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4)Br,JAWGTLLWIKKLCW-UHFFFAOYSA-N
-380C06EB61FEEAF6_7CB6D1AB15434690_6038_DP,N(CC1=CC(=CC=C1)C2=NN=C[NH]2)C([C@H]3CSCN3)=O,MKTZOOWFEMKFKL-LLVKDONJSA-N
-39E28E935490532E_7ABF05CBB4279107_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(N=CC=C2)I)(=O)=O,UIUZXHFUIGPHNH-UHFFFAOYSA-N
-3E2AE4D372677D59_90D3E1ACED28553F_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]3C2=CC=CC(=C2OCC3)C,HKAWYTYHUZQZAA-GFCCVEGCSA-N
-3FE06D10807E924B_375E5B6C6A46688A_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C(Cl)N=C2)C#N)(=O)=O,OWYJXBSXRFZTBL-UHFFFAOYSA-N
-3FF1F778A29CD67C_9D5C2878F6ACD15F_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC=CC(=C2)CCl)(=O)=O,NXYFQILJQJHWQS-UHFFFAOYSA-N
-4077CF7562988F93_BCE79E6B3D8D4B8F_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C=NN=C2)Br,URAHBSAYQJROQU-UHFFFAOYSA-N
-41F14B972AB063B5_A4DF8DB3E67D8A37_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC(CCC)C(=O)N(C)C)C,OJTGCYAZQJCALV-UHFFFAOYSA-N
-41FDBF781CA15FCA_733A78D1B6867279_7022_UN,C1(=CC=C(C=C1)C2=C(C=CC=C2)F)NC3=CC(=C(C=C3)Cl)[S](=O)(=O)O,KXRXGUXYUPWEEH-UHFFFAOYSA-N
-4574654DF5563DB8_A29C612C0593D6F7_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NC(C(OCC)=O)C3=C[N](N=C3)C,KOOJEHOVNVNMFS-UHFFFAOYSA-N
-49D694AF1C941B9A_19944C9A0C78E821_6034_UN,CC1=C(C2=C(C=C1)N(C=N2)CC(C(C3=NC=C[N]3C)N)(C)C)C,PLMXCMBEHGKPKW-UHFFFAOYSA-N
-4E78DEA3BF127F2D_265109A6F5CBCA5C_6038_UN,N(CC1=C[NH]C2=C1C=C(C=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,UCARRPLYUSYMQT-UHFFFAOYSA-N
-4E82853A99CCA790_822989ED282A1260_6038_UN,N(CC1=C(C=C(C=C1F)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,IVFUUDMOQQEMTN-UHFFFAOYSA-N
-5168A7AB7B14B1E3_4ED49E6179A9E577_6038_UN,CC1=C(C=C(C(=C1)F)C#N)NC(C2=N[NH]C(=C2)CCCCC)=O,LCHUOYJXRJLJJL-UHFFFAOYSA-N
-532D372AB26D411E_E9AF8A28C951B5C5_6029_UN,ClC1=CC=C(C=C1)C2CN(C2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,PBGIPNHRCIXVCV-UHFFFAOYSA-N
-54BEE2CE0CC7F19B_C020A6D2744CD6A1_6038_UN,N(C1=C(C=CN=C1)C2=CC=C(C=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,PNXXYEWYWUICBW-UHFFFAOYSA-N
-559E2764D787E35E_C017F5CD46D93382_6038_UN,CC1=C(C=CC=C1NC(CCC(C)N(C)C)=O)N2C(=O)CCC2=O,YDXVAURCOQCALL-UHFFFAOYSA-N
-5615E4C9DC5E497E_A64F26CD12DD4BBB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2N[C@H]3CC(N(C)[C@@H]3C4=CC(=C(C=C4)F)F)=O,AADMNPUWAGSNOV-WMLDXEAASA-N
-5DC9B7E0F40D5A87_CF0EA41AFE1AAEC2_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=CC=N5)N6CCCCC6)(=O)=O,NKUCOAREZSURRH-UHFFFAOYSA-N
-5E3FC8E8D0D2E607_9B2DC7A84D5226C5_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(C2)F)C3,MWGHLAWDDRMLRB-UHFFFAOYSA-N
-5EE7AA8B773E5123_D9C59139DF7F0F5C_6038_UN,CC[P](=O)(CC)C1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,IIVSINIXCMOUBC-UHFFFAOYSA-N
-5FA7C6C6AAAE382B_37194851B32EFF30_6041_UN,FC1=CC(=C(C=C1)NC(C2=NCCN2C)C3CC3)C4=N[NH]N=N4,XYYFWWCRRQKPOE-UHFFFAOYSA-N
-61F4FD64D51587D0_755279198109A88A_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC4=C(C=C3)OC(=N4)S,DWQJHQZPDBBKAM-UHFFFAOYSA-N
-63CD8D2543592845_645652B77395BA51_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CN(C)C4=O)=O,GTMXETXRHZNGCV-UHFFFAOYSA-N
-6497718E923C3877_A965ACE6F4263B5B_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC=CC(=C2C)N3CCOC3=O)[N](=O)=O,ARDLTPXFCTVIJV-UHFFFAOYSA-N
-654F3B5B9E10617C_64779DE0A4EB86E3_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(OCC)C=C(C=C4)C(=O)N(C)C,UYMPDLRSRBWIKT-UHFFFAOYSA-N
-68B0D83BFEEB9E9A_7C8E3C08A6848269_6035_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C3=CC(=C(C=C3)F)[S](C)(=O)=O,CWKRZMIYQXLUAP-UHFFFAOYSA-N
-6D48C9D6EC112A07_B4121D202C6933F3_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C=CC(=C3)C)[N]4C=NN=C4)=O,AQSJEOHUUUUJDU-GOSISDBHSA-N
-6D6A93BC2558BE98_F3E9BC934FEDE142_6034_DP,IC2=C1[N](C=NC1=NC=N2)CC3(CC(OC)(C3)OC)CN,IMFVUELBNBAJIB-UHFFFAOYSA-N
-6D6C03AE77C7CC84_C624460DDC250564_6038_UN,N(C1=CC=C(C=C1)CCF)C(C2=N[NH]C(=C2)CCCCC)=O,ZQRQDFOTWSYRGN-UHFFFAOYSA-N
-6E439FF5BEC31401_C59A67E54AA6162B_6029_UN,N(CC1=C(C=CC(=C1)O)O)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,BCBWIZJSOJBCDB-UHFFFAOYSA-N
-70270CB4FA1EA5BC_642BE8ABE997BFEC_6038_UN,CC(C)OC1=NC=C(C=N1)NC(=O)C2=C(C3=C(C=C2)OCCCO3)[N](=O)=O,LNZKUGUHCDBCOL-UHFFFAOYSA-N
-71E1AE1CF684D349_DEAC68DAEFBBE4A8_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(C(N(CC)CC)=O)C=CC=C4,CAVQBAQNPUKYPQ-UHFFFAOYSA-N
-72647BC5D1BEAB16_F63560888E4E5757_6041_UN,C1(=CC=C(C=C1)CSC2=N[NH]C=N2)NC3CN(C(CC)=O)C3,MIFDBAJLUHGXOO-UHFFFAOYSA-N
-72E51374BDC4A43A_EAC92856733E7326_6029_UN,FC1=CC=C(C=C1)C2CN(C2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,OIJURURZUYYIHR-UHFFFAOYSA-N
-7569F75EF8EB82BA_E954E59F09DDDB0D_6038_UN,CCC1=CC2=C(C=C1)OCC[C@H]2NC(CC3=CN=C(C)C=N3)=O,CGDVTXVKVRULTE-MRXNPFEDSA-N
-7672C7D9DAE117F7_EA1A73D32D96A24B_6041_UN,CCN(CC)C(=O)C1=NC=CC(=C1)NC3=C2N=CC=CC2=C(C=C3)N4CCCCC4,FYRATVOMYCSXBT-UHFFFAOYSA-N
-76B977711DA49C3D_277798C075B2D1B7_6028_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Cl)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,RXUJXCXVHJIIBA-MAUKXSAKSA-N
-77EEFFC40347B120_93A5D906B22EADC4_6034_UN,ClC2=C1C=C(N(C1=NC=N2)CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4)I,DJGLOWOJWSIDAL-UHFFFAOYSA-N
-7B4786AED1BB4C71_43A052C1460163DD_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC4=CC=CC(=C4)[S](C)(=O)=O,IBXBYPSBCDTESA-UHFFFAOYSA-N
-7BAADE0E98503A49_5027C57617CA6792_2201_UN,C[Si](C)(C)C#CC2=NC1=C(C=NC=C1)C(=C2C3=CC=CC=C3)C4CC4,HCWHNLQDEIPRNN-UHFFFAOYSA-N
-7CD98C2390C97CD2_233A1B4F61A12DD7_6038_UN,C[C@H](OC(=O)C1=CC(=CN=C1)N2CCCC2=O)CC3=CC4=C(C=C3)OCO4,DHJRREGLAJMKLV-ZDUSSCGKSA-N
-801D495C57B2DE44_BED9922D3DA3531A_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NC3=C(CC)[N](N=C3)CCC(C)C,UXRRWTBEDSIUNB-UHFFFAOYSA-N
-817B1995010AA485_306ED6230E2E53BE_6038_UN,CCOC(=O)C1=C(C=C[NH]1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,YMPVTVWUQNOJDI-UHFFFAOYSA-N
-82BF845A6584A38D_9D1F5D87F9F8FF76_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C(F)N=C2)C#N)(=O)=O,RFPKRVLTKCAPSY-UHFFFAOYSA-N
-878D84F06BF62B90_10E31F4DC0DCCD15_6041_UN,CC1=C[N](C)C(=N1)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C,LUWONTIPEYZWPZ-VXGBXAGGSA-N
-884644FB83F16138_F2912ECA64A62363_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C3=C[N](C)N=C3)N,PKKZWXVEIIQNCM-UHFFFAOYSA-N
-888D1D8C4471CC72_E9D3EB43283143C4_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=CC=C(N2CCC(N(C)C)CC2)C=C3,VNOIIIRVALTSKX-UHFFFAOYSA-N
-89A77EF2F9EFB8D7_13738BC472E5884E_6038_UN,CC[C@H](NC(=O)C1=CC=C(S1)C3=NC2=C(C=CC=C2)S3)C#N,TZAHKRXAJUTTOY-JTQLQIEISA-N
-8D195F9160311352_77254F42C6DF9AD1_6041_UN,CC1=NC(=NC(=C1)NC3C2=CC=CC(=C2OC3)OCCC)[S](=O)(=O)C,YNCCRPVWMZGPMY-UHFFFAOYSA-N
-91AB8B2DE2BF8E8E_361748F3D7731943_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,QWWOBBBXGGKGBL-UHFFFAOYSA-N
-9459D87280BF9624_AB2B65CFB2326624_6038_UN,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C([C@H](CC)N(C)C)=O,SDMSUELSSFHLQX-AWEZNQCLSA-N
-95A48EFF7849BD71_1F0A11AD27CED499_6038_UN,C[N]2N=C1C=C(C=CC1=C2)NC(C3C(N(CC)C(CC3)=O)C4=C[N](N=C4)C)=O,YPMNMWUSJIAPGX-UHFFFAOYSA-N
-963DB5083DBC9FF6_4C0FB957B171AFD5_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,XWBBOLZMCPSGDE-GFCCVEGCSA-N
-979EC115CBB6AA4B_841FEFAA6E88898D_6034_DP,CC(C)NC2=C1N=C[N](C1=NC=N2)CC3(CC(OC)(C3)OC)CN,QOFAZKMOYYYURP-UHFFFAOYSA-N
-9802F2DE580674DD_26F5404741F82BC5_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC(=NC=C4C)C)=O,GGJMJESCJSTEDP-UHFFFAOYSA-N
-9919A9B75F4863D0_C066ADE14FB8E3E6_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CCOC(N(C)C)=O,UHSHHPVRDXJFKX-UHFFFAOYSA-N
-996517A173979610_2E17091B3D7AF781_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4C3=CC=CC(=C3OCC4)CC,FBPLQDMGRRHCBI-UHFFFAOYSA-N
-99AAD2839348F2A2_38CF32E780C8EE80_6038_UN,CC(NC(=O)C1=C([NH]N=C1)C2=CC3=C(C=C2)OCO3)CN4C(OCC4)=O,CJYBDHCSQLXALX-UHFFFAOYSA-N
-9E7DAA80E576EAED_242AB67472F52508_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)I)NC2=C(CC(=O)N2C3=CC=CC=C3)C#N,AIQGXPWNVJMMJJ-UHFFFAOYSA-N
-9F923A36102A26D5_865C309915AA9CCC_6038_UN,N(CCC1=C[NH]C2=C1C=C(C=N2)F)C(C3=CC(=NC=C3)OCCOC)=O,WLKAUOUGMHRRDF-UHFFFAOYSA-N
-A0AEA312A1240DE8_E6717EFFE8207BE5_6038_UN,NC(=O)C1=N[NH]C2=C1C=C(C=C2)NC(C3(C)COC(=O)OC3)=O,DNDWKHMNVASWNY-UHFFFAOYSA-N
-A37F10B686FA7798_0089CAD4363A59E6_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,XWBBOLZMCPSGDE-LBPRGKRZSA-N
-A43315DCA2C9B809_E0A6F0987DE96537_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3=N[NH]C(=C3)C4=C[N](C)C=C4)=O,WEWJCXUVVAEEFF-UHFFFAOYSA-N
-A6664957807A5556_61D0AF192C65FCC1_6038_UN,CC1=NC(=NO1)C(NC(C2(C(N(C)C)=O)CC2)=O)C3=C[N](N=C3)C,CXCXSOSKRWUBJQ-UHFFFAOYSA-N
-A98124DCF019B0CD_4A7E7C5F84BF0CE7_6029_UN,CCN1CCN(CC1)C2=C(C=C(C=C2)CN[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O)F,CWEKGMKDCFEGHJ-UHFFFAOYSA-N
-AE1D4DC9332165B9_F0B650B225F979E0_6038_UN,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C([C@H](CC)N(C)C)=O,RIGPXOMSNWHEGL-AWEZNQCLSA-N
-AE3B26CC8A2F7945_DAF40E2B0F78A645_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4=NN(C)C(CC4)=O)=O,KWBNJXOZYGDVAJ-UHFFFAOYSA-N
-AFD7909A9942F692_95B80D42606B44C5_6041_UN,C[N]1C=CN=C1C(=O)C2=CC(=C(C=C2)NCCC3=NN=C4C(N(C)CC[N]34)=O)[N](=O)=O,FAMFGWLFNPHEMW-UHFFFAOYSA-N
-B03CB7E21F5B256E_716CEBFA2C6E6D79_6003_UN,O(C2=C1N=CC=CC1=NC=C2)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,RMHLGJUUTOFZCC-UHFFFAOYSA-N
-B0ADD400DD6319D6_17BEF0FE3F00AA9F_6004_UN,FC1=C(C=CC=C1)C2=NC(=NO2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,XGBQUSCBUIIEAF-UHFFFAOYSA-N
-B1901F6CC452797F_B543EB6EA2CDF945_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(COC)(C)CN,JVGRHEIYEHMVFS-UHFFFAOYSA-N
-B1CD58DFCCB64C50_439A27077B7D0F8D_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CC=C(C=C3)C4=NC(=N[NH]4)C5CC5)=O,HSTIMXVYTJSKMX-UHFFFAOYSA-N
-B3DB57C8144E2D2A_5D73720222CACACB_6041_UN,CC1=CC=C(C=C1)C2=NN=C(C=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,DABHKFOHLRAEMV-UHFFFAOYSA-N
-B43F2B8DAEDF659E_5184A66C8F0529FA_6038_UN,O(C1=CC(=CC=C1)N[S](=O)(=O)C2=CC=CC=C2)C(=O)C3=CCC3,AAXBGOAAFYSCEZ-UHFFFAOYSA-N
-B458E6A46755B73F_5C564CFB54CAAED1_6041_UN,C2(=C1[NH]C3=C(C1=CC=N2)CCC3)NC4=CC(=C(C=C4)F)C(CCC)=O,DAOYWKRGPOBCJK-UHFFFAOYSA-N
-B474F5EC7816E1E7_2473DBBCCE3F0209_6038_UN,CCOC1=C(C=CC(=C1)C)CNC(CN2C(CN(C)C2=O)=O)=O,DGEREDRZWIOESY-UHFFFAOYSA-N
-B73D405DA036F95B_1D73B504D7B04646_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=CC=C(N2CCC(N(C)C)CC2)C=C3)[NH]4,JQLSPMZZDCYZGG-UHFFFAOYSA-N
-B863003B6693F592_3DBDC7D6B50DA535_6041_UN,CC[N]1C=NC2=C1C=CN=C2NCC3([S](C)(=O)=O)CC3,PZARPJYLWXJRKM-UHFFFAOYSA-N
-BB7F2BFF45940836_68B171B516EFF268_6041_UN,O=[N](=O)C2=C(C=C1[NH]N=CC1=C2)NC3=C(CC)[N](N=C3)CCC(C)C,NYCFSXFWIKLNTG-UHFFFAOYSA-N
-BC820391CF1D044D_5DB887281CF460D2_6041_UN,C2(=C1NC(NC1=CN=C2)=O)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,IBGFDYDEMLLMOF-UHFFFAOYSA-N
-BCD1B9AC2C0E0D42_127835681A4E0F49_6026_UN,[S](=O)(=O)(C1=C(C=CS1)C2CC2)NC3=C(CC(=O)N3C4=CC=CC=C4)C#N,JRBLSCKTGWYXNZ-UHFFFAOYSA-N
-BD9551A7D07F62B7_4D5C111DB0D13A7A_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC(=C(C=C4)C)[S](N(CC)CC)(=O)=O,LFEAUIPLTPLUBV-UHFFFAOYSA-N
-C0D672EBE6DC70EC_1201EA03AFB196D4_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4CCN(C(C)=O)CC4)=O,GNDMXDASOFAMLP-UHFFFAOYSA-N
-C2B11F851A92B721_381263EFA1F99CD6_6029_UN,C1CC(CCN1[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,GJCWKNVBDWYVSO-UHFFFAOYSA-N
-C4C269A6B46D7FF3_537B461787E3A7CF_6038_UN,CC1=C(C1COC(C2=N[NH]C(=C2)C3=CC=C(C)S3)=O)[Si](C)(C)C,CNLNGHUGEHYJGA-UHFFFAOYSA-N
-C4FF4915D5B1CF24_31D146D29B35F626_6041_UN,CCN(CC)C1=NC(=CC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,RPOLQRFKYUPTNQ-HNNXBMFYSA-N
-C542C04091230E45_9830656FD64ED52D_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=C3N=CC=CC3=CC(=C4)Br,XZPFEFQKUBEKGJ-UHFFFAOYSA-N
-C5D1C953FDCD2A2E_42F34C1213848187_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)CC3ON=C(C(OCC)=O)C3,MHIVCAMBSDYPQA-UHFFFAOYSA-N
-C69BE66D20ECE836_349C6C03E485A051_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC3=CC=C(N(CC)C(C)C)C=C3,MFNWKGZSIZFFAB-UHFFFAOYSA-N
-C6AF4E0CD7E2B431_B22F8F6BA284592F_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CSC(=N3)C4=CC=CS4)=O,HUDZOSSKGMDKBG-UHFFFAOYSA-N
-C6BCA512D8E76838_8E0D628C4CA9EB0E_6029_UN,N(C1=C(C=CC=C1)C=C)[S](C3=CC=C([C@@H]2C[C@H]2[S](Cl)(=O)=O)C=C3)(=O)=O,QFNHNGNDBXCDNB-DOTOQJQBSA-N
-C8C71E656DBB226B_B4FF6D9B9723FA57_6029_UN,OCC1(CN(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C4=CC=CC=C4,LXBAGRBKCHFZCP-UHFFFAOYSA-N
-C8D87E63A991F2A7_CFBC3F34D2873272_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,KCAMXDXOUZNCMA-UHFFFAOYSA-N
-C8DB62DBB268D3A3_CE741DB9C4FAEE4C_6038_UN,N(CC(=O)C1=CC(=C(C=C1)Cl)Cl)C(C2=N[NH]C(=C2)CCCCC)=O,SUDYEBGFVGGRKM-UHFFFAOYSA-N
-C90BF637BA19F547_C77568D24C2D8C38_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CN=C(N=C2)C3CC3)(=O)=O,ITRKFCKMPWQLHE-UHFFFAOYSA-N
-C9A91ED2E2D3949A_D8101A4A3C9B365E_6029_UN,N(C[C@@H](O)C1=CC(=CC=C1)Cl)[S](C2=CC(=C(F)C=C2)C=C)(=O)=O,VYOIVIMQQYIWLF-MRXNPFEDSA-N
-CB3B0271002EA6B7_37A2573B879CA496_6041_UN,CC1=C(C=CC(=C1)N2CCCC2=O)NC4=CN=C3C=CC=CC3=C4N5CCN(CC)CC5,WORZEJLZMDQBFJ-UHFFFAOYSA-N
-CD8F77C2CABDAFBE_9A2227D763210906_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCCN3C(SCC3=O)=O,MOKPFPKESKAKTB-UHFFFAOYSA-N
-CFA1E250DABF23A7_7E28DECF4B4342F8_6004_UN,ClC1=C(C=NC(=N1)C2CC2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,AHQRWKIOTFYCGV-UHFFFAOYSA-N
-D1F71910E804776F_5A51C6ED9F6FE096_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)N[C@@H](C(C)(C)C)C#C,LPLWXROWKQFLMD-GFCCVEGCSA-N
-D5173755CDEFCE50_BB4F13B3BD9AB842_6038_UN,CN1CCN(CC1)C2=NC=CC(=C2)NC(=O)C3=CC(=CN=C3)C4=NC=CC=C4,LJSSAJTUFGACOQ-UHFFFAOYSA-N
-D5C251CA50EE19E0_B9E7B6D359ECACB3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=C(C)C=C(C=C3)OC4CCOC4=O,RIZQIGGKLFEOOH-UHFFFAOYSA-N
-D5E24FD96232730A_8C5E3D6BBF950359_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F)Br,SWWUHCVGVOMOEJ-UHFFFAOYSA-N
-D63E22C920B6EC53_397F0ABA82AEDC20_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCCC4)C,ZKRFJACLDMRTGI-UHFFFAOYSA-N
-D7DE385451251F35_15B54A677713D7D7_6034_UN,ClC1=C(C=CC=C1)C2=CN(C(=N2)C3NCCC3)C4=C(C)C(OC4)=O,FYJAYNNFODWSAE-UHFFFAOYSA-N
-D80E9A9EEE49503E_B6CC0790AA9FB00D_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCC4=CC=C(N3C(N(C)CC3=O)=O)C=C4,WDWOAPBLWKQZSY-UHFFFAOYSA-N
-D8271A5590B86462_AD0F3C2066C051DF_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4)C(C)(C)C)=O,GAPAVAZNVNCBMW-UHFFFAOYSA-N
-DAD1AE7DCE436975_C97B942530C41EC8_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl)Br,PLBALACJRICTOW-UHFFFAOYSA-N
-DB40C09B59F4B899_55AFAC7B391FA775_6038_UN,CON(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LNUPQBSAGRSOPD-UHFFFAOYSA-N
-DBA3084AAB6255E5_122A9209260B9359_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC3CCC2=NC(=C[N]2C3)C4=C(C=CC(=C4)F)F,BVIXVEFSMHYKFB-UHFFFAOYSA-N
-DD23CDA271DBFBB8_C4F9818762A25DAC_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=CC(=C4)C(N(CC)CC)=O,HPNWUQGXTLEYMX-UHFFFAOYSA-N
-DDB709255212086C_7730CD7713A0F914_6038_UN,CC1=C(C=CC=C1NC(CCCCN(C)C)=O)N2C(=O)CCC2=O,WFDAJUYRXZKOJQ-UHFFFAOYSA-N
-DFCFB8D7B502D062_422ABAE9D81506FA_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NC4=CC(=C(C=C4)F)C(CCCC)=O,PZSHCJHYMBXJEK-UHFFFAOYSA-N
-E078206DE2D2DEA4_2872F612C04B0FBE_6028_UN,C=C1CN(CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,QPWPXNPBMWWOCA-UHFFFAOYSA-N
-E078206DE2D2DEA4_3E3C5C95C84E643E_6029_UN,C=C1CN(CCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,QPWPXNPBMWWOCA-UHFFFAOYSA-N
-E36047B6A7808B08_3A557B9BB3360866_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CC(N(C)C)=O)=O,NNCWYXWSGSCPRJ-UHFFFAOYSA-N
-E4CFC352C2D2E0E8_580F1F0CB6CC2D6A_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)N(C3=C(Cl)C=C(C=C3)Br)C4CCC4,FKSDGKNKEPQWGG-UHFFFAOYSA-N
-E66B117E76B00B52_73F3249B8D6F8B0A_6026_UN,[S](=O)(=O)(C1=CN=C(S1)C2CC2)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,ZDZHWEDOKGMCSL-UHFFFAOYSA-N
-E73829838F6F0AEC_909408616CD3F64E_6038_UN,COC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FMVQTERJLMTIQA-UHFFFAOYSA-N
-E7A7235FC27434EC_25F0AF29B9E609B6_6038_DP,CN(C)C(=O)COC1=C(C=CC(=C1)C)NC(C(C)N2CCNCC2=O)=O,OPYZFIMTRRKPIJ-UHFFFAOYSA-N
-E85D44378D75556D_86771D5E45B7852F_6038_UN,CN(C)C2=NN=C(CNC(COC1=CC=CC(=C1)C(C)C)=O)[NH]2,UIRXNXJGXVIAHC-UHFFFAOYSA-N
-E86B1EB0BDC8B590_CCF3AE61AC32252A_6028_UN,N([C@H]1[C@@H](C1)C2=CN=C(C=C2)F)[S](C3=CC=C(COC)C=C3)(=O)=O,QWWNJTOIGLFEMJ-LSDHHAIUSA-N
-E938C1AD53758A41_DF59DCD5E9545842_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CC(C)(C)C)=O,QYLXBHHMDAFICF-UHFFFAOYSA-N
-E9CCE1C14292057C_8570ABABA6B9645B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C[N](N=C3)CC4=CC=C(C=C4)Br,UBNVOCNOYNMYEG-UHFFFAOYSA-N
-EB4027FC021074AC_48CDDE812930E0EF_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CN=C(OC3CCN(C)CC3)N=C4)(=O)=O)C=C5,ROSQGCVUKINCSU-UHFFFAOYSA-N
-EC42E27249376B46_11EB48405CB6CC8F_6041_UN,C[N]1C=CC2=C1N=CN=C2NC4=C(OC3=CC=CC(=C3)C)C=CC(=C4)[S](=O)(=O)N5CCCCC5,GOHUKGGWWIISQY-UHFFFAOYSA-N
-ECB5684809EC7A46_FDFC10FE3AB1F04F_6038_UN,CN(C)C1=NC=C(C=C1)CCNC(=O)C2=CC(=CN=C2)N3CCCC3=O,WFOUWQHCVSAHFR-UHFFFAOYSA-N
-EDBA2BEF2B98527E_B30F8CDAC4C55364_6038_UN,CC1=C(C1COC(C2=N[NH]C(=C2)C3=C(C=C(C)C=C3)C)=O)[Si](C)(C)C,KITHMCLKUVLPNE-UHFFFAOYSA-N
-EDD2DA7FC209FC10_32505A427CEF8EB1_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3(C[S](C)(=O)=O)CC3)C,NPRYUKSFTWYLTG-UHFFFAOYSA-N
-EE3263104561ACC6_7E5D0E069EDCC7DF_6038_UN,N([C@H]1C2=C(OCC1)C=C(C=C2)F)C(C4CCN([S](C3=CC=C(C(C)C)C=C3)(=O)=O)CC4)=O,AISMYUMZZLFJRA-JOCHJYFZSA-N
-EEA6CE9961F8817B_381A40A72262C1D8_6029_UN,CCOC(=N[S](C1=CC(=C(O)C=C1)O)(=O)=O)C2=CC=CS2,YHZMVGSTNGEZDF-UHFFFAOYSA-N
-F0C1B925EA9D260C_3E60124EE4C67900_6003_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3,CDKQANJIDKENPO-UHFFFAOYSA-N
-F0D7E96832AC6CFA_6DDD589D6BFC6CA9_6034_UN,BrC1=CC2=C(N=C1)N(C=C2C#N)CC(C(C3=NC=C[N]3C)N)(C)C,IWOZBPPWFBXOPV-UHFFFAOYSA-N
-F0DE9C75347CC960_956928C69FA6E59B_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NCC3([S](N(C)C)(=O)=O)CC3,BUKYVOMJLCJICE-UHFFFAOYSA-N
-F1EA36F89F9A4638_F8E4F7912AE47273_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CN=C(S3)C4=CSC=C4)=O,XCFANPLHRFMTNV-UHFFFAOYSA-N
-F3995F7A95DB5F8C_83CA2A670FBB4D1F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=C(C)S5)(=O)=O,QGFVCGNFULIEOD-UHFFFAOYSA-N
-F3E5A7BE94920814_84E54347BE5BDF1A_6038_UN,N(C1=CC=C(C=C1)OC2CC(=O)N2)C(CN3C(CN(C)C3=O)=O)=O,FUPLKTYPVPXBTM-UHFFFAOYSA-N
-F6B72E6025AEB039_BE626DAEA6C99F33_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC=CS2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,ADARLFGVCNBERP-UHFFFAOYSA-N
-F7059197AE9413DE_FE7E2FF458570B58_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CCC4=CC=C([S](C)(=O)=O)C=C4,RSKGDAORBWFJGY-UHFFFAOYSA-N
-F70EFD1BA29104E7_79DEFFFCA0537E5A_6035_UN,CC1=CC=C(C=C1)CC2(CCNCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,SEPJLLPYPCSIRD-UHFFFAOYSA-N
-F840B327F7E744ED_FB81937E26941EB3_6038_UN,O(C1CC=CC1)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4,WNJQEUKDPYMOHJ-UHFFFAOYSA-N
-FA3413F9A1482ADE_196652B3835F3FDB_6003_UN,O(C2=C1C=CC=NC1=NC=C2)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,PJAIQOCEZFVUOH-UHFFFAOYSA-N
-FB52DD5B7BEE8AB4_B257D2476E9D9378_6038_UN,CC1=C(C=CC=C1)OCCNC(CN2C(CN(C)C2=O)=O)=O,TUSMAERNTKNQHH-UHFFFAOYSA-N
-FC4B4ED63561A026_002355F210C0EE1E_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4)OC)=O,IISZVCHDGRZQOZ-UHFFFAOYSA-N
-FD0CE45D1C0B98B9_AE50376FD63D221F_6038_UN,CC(C)[C@H](NC(CCOCCN(C)C)=O)C1=NC=C[NH]1,XJEACVSPDRSWLT-ZDUSSCGKSA-N
-FE6D307C4095E3F4_D64D0FDF9C498BEF_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCC3)C(=CC=C4)C5=CC=CC=C5,HCEKHPXEFDXPLB-UHFFFAOYSA-N
-FE8A765F825FBFAE_6C2D4EEAE36B0B0E_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC(C(OCC)=O)C3=C[N](N=C3)C,TWVJLHAPNVOGIU-UHFFFAOYSA-N
-FEC7B6E11B4F13CC_04940229B1CF74DA_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC(=CC=C3)Cl)(=O)=O,DCGNKQPGDAESCI-UHFFFAOYSA-N
-FED6464247F226A9_701391044C68F124_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CC)[N](N=C2)CCC(C)C)[NH]N=C3,JZHWMTHREAOYNV-UHFFFAOYSA-N
-rxn:1:59804:32858,Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)cc1-c1cn(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nn1,DXGIWYMIWMSZMM-QFIPXVFZSA-N
-rxn:1:59806:38541,Cc1ccc(C(=O)N2CCC(n3cc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)nn3)CC2)cc1C,SXYPMANMGVTGRU-UHFFFAOYSA-N
-rxn:1:60317:18970,COc1ccc(C=CC(=O)N2CCC(n3cc(COc4ccc(Cl)cc4C=CC(=O)O)nn3)CC2)cc1,NLEPIMUXZMGEEW-UHFFFAOYSA-N
-rxn:1:60347:38541,Cc1ccccc1C(=O)N1CCC(n2cc(CN3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)nn2)CC1,MJDSFONFJDXBOU-UHFFFAOYSA-N
-rxn:1:60348:3212,Cc1cccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5cc(C)n(-c6cccc(Br)c6)c5C)C4=O)nn3)CC2)c1,WBCOONLOZAOHJT-UHFFFAOYSA-N
-rxn:1:60348:38541,Cc1cccc(C(=O)N2CCC(n3cc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)nn3)CC2)c1,SZTSTWWWXQUPTB-UHFFFAOYSA-N
-rxn:1:62014:32946,CC(=O)N1CC[C@H]1C(=O)Nc1ncc(Br)nc1-c1cn(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nn1,JICKFGTUQUPSOY-FQEVSTJZSA-N
-rxn:1:62964:36316,CC(=O)c1ccc(Br)c(N2CC(Cn3cc(CN4C(=O)SC(=Cc5cccc(Br)c5)C4=O)nn3)CC2=O)c1,ZBNAKRSMGYBFGN-UHFFFAOYSA-N
-rxn:1:63249:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4ccc(OC)cc4C(=O)O)C3)nn2)CC1,MTBUGLLJJODNRJ-UHFFFAOYSA-N
-rxn:1:63341:10780,COc1cc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2=O)c2ncccc2c1,SXGYNMBWJTWICG-UHFFFAOYSA-N
-rxn:1:63400:24490,CC(Cn1cccn1)N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,XNNQVGCTIXVLBP-UHFFFAOYSA-N
-rxn:1:63400:25857,Cc1cccc(N2CC(c3cn(CC4CC(=O)N(c5ccccc5C#C[Si](C)(C)C)C4)nn3)CC2=O)n1,LTOHSWBBQKTGOS-UHFFFAOYSA-N
-rxn:1:63562:788,Cc1cc(Br)c(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc6c(c5)OCO6)C4=O)nn3)CC2=O)c(C(=O)O)c1,DOXDHRLVLUZKNF-UHFFFAOYSA-N
-rxn:1:64324:32858,Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)cc1-c1cn(CC2CC(=O)N(c3c(Br)cccc3C(=O)O)C2)nn1,OTFONHSQWFIIMF-XLDIYJRPSA-N
-rxn:1:65382:1439,COc1cc(C=C2NC(=O)NC2=O)cc(Cl)c1OCc1cn(CC(=O)N2CCN(c3ccccc3)CC2)nn1,ZRSUNTOCYCUCDF-UHFFFAOYSA-N
-rxn:2:71507:73911,CCOc1ccc(C(CS(C)(=O)=O)N[C@H](c2ccc(N3CCCC3)cc2)C2CCC2)cc1,XEDRAUYWFTVSEM-AMVUTOCUSA-N
-045ECB0870AF2EC1_DD1C1D5ED255FFE4_6029_UN,OC1C5=C(OC2(C1)CCN(CC2)[S](C4=CC=C(C3(C(F)(F)F)N=N3)C=C4)(=O)=O)C=CC=C5,FGUJQHUUECUMRD-UHFFFAOYSA-N
-04896EA34D5FE9CC_160FE587F5560127_6029_UN,FC1=C(C=CC=C1Cl)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,GHGVMNXRILLASU-UHFFFAOYSA-N
-04AD0E70E628DC39_A8262847B3EA1D9E_6029_UN,FC1=CC2=C(C(=C1)I)[N](N=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,FXCZRFNAJFSJMA-UHFFFAOYSA-N
-04CA983C6F161293_A3D1776F4C1904AD_6035_UN,CC1=CC=C(C=C1)CC(OC2=C(OC)C=CC=C2Br)C3CC3,KDVKQJWMCHMOKP-UHFFFAOYSA-N
-0A3EDA81988C052D_92122D971CA9BAB8_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C(C(C)(C)C)=C)=O,MIZQCVIQNGXVCZ-UHFFFAOYSA-N
-0A4201AA4EC49890_582A146C287B0763_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=C(C)S5)C)(=O)=O,XJKGJDXCJHBTNR-UHFFFAOYSA-N
-0ADECF75056A4DA5_6784586E2326D0C2_6035_UN,N[C@H](COC1=C(C(=CC=C1)C#N)[N](=O)=O)C2=N[NH]C=N2,SCBSIBXREILUIR-MRVPVSSYSA-N
-11BD6FDA14240E53_821FE31B45BE630D_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,JFIZYDBQJHWESO-UHFFFAOYSA-N
-12B13B166F8E83F0_404FCB383ECC0B8E_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CN(CC)C)=O,CALBVGHJOWNOSP-UHFFFAOYSA-N
-16B525F799850282_0A52307325268000_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,LIVHVENVRKRCLO-UHFFFAOYSA-N
-17F3E53F9B86E920_9B01ACEA4E9882B1_6029_UN,N(CC1OC(OC1)=O)[S](C2=C(CC(OC)=O)C=CC(=C2)Cl)(=O)=O,MCMZHTRWPMDLFY-UHFFFAOYSA-N
-18A0482E1A7B9C15_49D82C7D679C652A_6041_UN,CC1=C(C(=NC=C1)NC2C3=C(OCCC2)C=C(C=C3)F)[S](=O)O,ULQTXSSXSIYALQ-UHFFFAOYSA-N
-1A86B29B2D824B55_39FBABA82B3801B0_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CCCC(N(C)C)=O)=O,UBGOAJBZLCDFRY-UHFFFAOYSA-N
-1F1704F2BED71580_338DF8B8773221B2_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=CC=CS2)[N]3C4=CC=CC=C4)(=O)=O,SIYVERVLSTVCQN-UHFFFAOYSA-N
-1F8834F18F6605C8_923FC33175EFD231_6028_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,UEDZWPNHIIZHSX-UHFFFAOYSA-N
-213D7B56E59CF5BF_5CEAA6C5FC2CB93F_6004_UN,CC3(C)CC(=O)C1=C(C=CC(=C1)C2=CN=C(N(C)C)N=C2)O3,QJILYSCPPUHBKB-UHFFFAOYSA-N
-21FB93EB5A9A8F86_93B7157B3AF5FC1E_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,VWNLGJFIKJNTPU-UHFFFAOYSA-N
-245C0587F7E6F8EF_7AB61C7B33A84508_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(O)C=CC=C2OC(F)(F)F,ARYSEFNWYHJTOT-UHFFFAOYSA-N
-24B902EE1983534C_6607DAA5666A0296_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCCC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,ZTDFFUVRACPSKA-KDURUIRLSA-N
-25987638BE31ED5E_C237F1E69844A8AD_6029_UN,N(C1CCC=CCCC1)[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,ZGQAAUQNAVIBPX-UHFFFAOYSA-N
-2862A1FFBFE24DE0_11A95243D54010A4_6038_UN,CCOC(=O)C1=C(C2=C(N=C1)C(=CC(=C2)C)C)OC(=O)C3=C(N=CC=C3)N4CCCCC4,LOGDFRMYUORKGY-UHFFFAOYSA-N
-287FB932F96468D8_4A9C3FF91F50FB70_6038_DP,OC(=O)C(NC(C1=C(NC(OCC)=O)SC=N1)=O)CCC#N,FRCRQEVTWMJSID-UHFFFAOYSA-N
-2A22FA9708F16FBD_9FA08D01BB9B07A7_6038_UN,CC(=O)C2=C(C=C1OCOC1=C2)NC(C5=CC3=C([NH]C4=C3CN(C)CC4)C=C5)=O,ZXDWCAOOKUICOG-UHFFFAOYSA-N
-2D4282CD55970170_DA270CD84573A8EE_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC=C(C=C3)C5=NC4=C(C(CCC4)=O)S5)(=O)=O,BBTIZRBQYBVTPE-UHFFFAOYSA-N
-2D96B07C0B5DF153_9C8D35B8856F18CC_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC3(C(C)(C)C2=CC=C(C=C2)F)CC3,IKBNSWBPAVPPMJ-UHFFFAOYSA-N
-2F009E65BC7FBCCB_01191C8259740B10_6038_UN,CC1=C(C3=C(C=C1)C(NC(C2=CN=C(N(C)C)C=N2)=O)CO3)C,BSWFHMZQRXLDFW-UHFFFAOYSA-N
-31BA8B8DF988A0E4_1B2C3A0A301155FD_6031_UN,CCC(CC)(C#N)C(=O)OCC(OC)CC1=CC=CC=C1,CHRNGMOJHHJHIC-UHFFFAOYSA-N
-3225506C63CFD184_ADFBFFCB7AEDEB96_6041_UN,OC(=O)C2=C1N=CC=CC1=CC(=C2)NCC(O)(CO)CO,GHVFBVVMLNWYDV-UHFFFAOYSA-N
-3238A06D5F5DE59C_898C805D44F139B1_6029_DP,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,DYXFSBNUMDAVKV-UHFFFAOYSA-N
-34EFBC07F703A3D0_E17178EC69331482_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)CC2=CC=C(CO)C=C2)N,OQZJGTWCISQRLY-HNNXBMFYSA-N
-385599C08D6C2A9B_DC57167F68E8F49C_6038_DP,CCOC(=O)C(NC(C1=CC(=C(C(OC)=O)O1)C)=O)CC2CNC2,XOUOLNNEOKOTSA-UHFFFAOYSA-N
-3B61ACE017219C34_B5E9BA25AE9D2161_6038_UN,N(C1=CNNC1=O)C(C2=CN(CC)C3=C(C2=O)C=C(C(=C3)N4CCN(CC4)C(=O)C)F)=O,GAQNXUKAUYTCFE-UHFFFAOYSA-N
-3D1CBB2399C0B2C6_69692DEBD13A5541_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NCC#C[Si](C)(C)C,BOGSEGLOPTYMTL-UHFFFAOYSA-N
-3FAF41953385EE67_97A23E2D06D7EE48_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=N2)NCCC[Si](C)(C)C,RPEVBQAVYIRZJI-UHFFFAOYSA-N
-4336E0674842E8B8_639D82412E5E3824_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,PHQNZDOLWJEYTA-UHFFFAOYSA-N
-43F60AB06716B935_640825FE1D3FA4D8_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CN=C(N=C4)N5CCC(=O)CC5)(=O)=O,KOVMDUIXNBPRDR-UHFFFAOYSA-N
-44CBE64BEBE04432_675788D361C1F88D_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)OC(F)(F)F)(=O)=O,ASVMMBRJVYZVIY-UHFFFAOYSA-N
-44CD07B5693EA24D_948A99D0E02A9BCB_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3CCCC#C[Si](C)(C)C,BRTQZTZVAPDFAB-UHFFFAOYSA-N
-45EC2FF6AAE566D7_898758B3DEA40E9F_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(OC)C=CC=C2OC(F)(F)F,HJGFBSATYICMLP-UHFFFAOYSA-N
-4606FF365B26C1FB_DD6FC53E17AF2CD2_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NCC2=C(N(C)C)C=C(C=C2)C)[N]3C,NNCBECDCPQDQPN-UHFFFAOYSA-N
-48ABD81881E1D488_AF7D24D085BD234C_6005_UN,CC1=C(C=C(C=C1)C2=CC(=CC=C2)C3CCC3)[S](=O)(=O)F,KJCXQGBVOSFETH-UHFFFAOYSA-N
-4A9756031A9170E2_D195833D6B1D39FF_6041_UN,OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)NC(C)=C(C#N)C(=O)O,QEOZHNCZSGCCFN-UHFFFAOYSA-N
-4AEF752ACF5D997C_CAB31DCB92F59C89_6029_DP,N1CCN(CC(C)(F)C1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,REWFMQCXQSNMRL-UHFFFAOYSA-N
-4B6FC5121915F283_A3A24C69C2433F2F_6038_DP,O(C1=CC2=C(C=C1)C=CC(=N2)F)C(C3C(C(C)C)NCC3)=O,SUJXEKBVXUEBRD-UHFFFAOYSA-N
-4ED358D607A85983_74BBAB5CB8CEB886_6041_UN,COC1=CC=C(C=C1)C2=NC(=NO2)NC4=CC3=C(CC(C)(C)OB3O)C=C4,JAWXAWYLGDSCCH-UHFFFAOYSA-N
-5181C9BBE3F22528_9CC32AA6F94C1822_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C)(C)C3=CN=C(C=C3)Cl,LRRCRFSHONJKIT-UHFFFAOYSA-N
-518860F4B095A489_24C8D0F6250CDA80_6003_UN,CC2=C(C)C(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)CCC2,FGHQDKDNKRNYIC-UHFFFAOYSA-N
-5A671E087596DFB1_7238263C75B70562_6005_UN,C[C@@H](O)C1=CC=C(C=C1)C2=C(OC(CC)C)C=CC=C2,SJISSDMRRPRFCJ-ARLHGKGLSA-N
-5AD5AB02E6A6E9D3_037F3457ED1006E4_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CCOC)(C)C#N,LRTREBKCMIDYBT-UHFFFAOYSA-N
-5B3C0D516E927FB0_15BA58BAF5278C2C_6039_UN,CC(C)C1=CC=C(C=C1)OCC(OC)C2=CC=CC=C2,VEYLNYGEUCHYJA-UHFFFAOYSA-N
-5C5F044814A3ED91_72F2E68D1A2E7048_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=C(C=C2)I,QJPZVQNNPPAKFM-UHFFFAOYSA-N
-5DBC9E4F98B04138_30276E42DE14A211_2875_UN,NCCCCCC[N]1N=NC(=C1)C(C2=C(F)C=C(C=C2)Br)=O,CXTOPWVDQQYLPJ-UHFFFAOYSA-N
-5FAD520E574EA0F8_A3E642FA35FDC2D4_6035_UN,N[C@H](COC1=C(C=CC(=C1)C#N)[N](=O)=O)C2=N[NH]C=N2,KSCUGDKMWAZSEE-MRVPVSSYSA-N
-5FBD8B41EC9E2352_04115ED03D739EB5_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC2=C(C(OCC)=O)[N](C=C2C#N)CCOC,RZCOOIBCCHARNB-UHFFFAOYSA-N
-60114C02C5E9A3CE_DCDA8C4954955711_6041_UN,OC(=O)C1=C(N=CC(=C1)NC(CC(=C)C(=O)O)C(=O)O)S,YBKOXJKENWRHLB-UHFFFAOYSA-N
-629A7E5225427CDE_A598959817D56141_6031_UN,CC(=NOCC(=O)OCCCN1C(=O)CNC1=O)C2=CC=C(Br)S2,XHMSYNXIOSUESC-UHFFFAOYSA-N
-63FEA70096AD2B3D_B1ED3E9B54716F14_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NC(CCC)C(=O)N(C)C)F,GLRVKDGXNTZBLI-UHFFFAOYSA-N
-64D3B20CD3A9DFDF_F1C43ECE039F09E2_6028_UN,N(CC1=CCCC1)[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O,DYVBTDLMZMRXQQ-UHFFFAOYSA-N
-6A045660B04610CE_125675ECA015A604_6041_UN,CC1=C(C=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC(=C3)F)F)[S](=O)O,VPUKFWUGHXRFKZ-GFCCVEGCSA-N
-6AA31F9077F51632_2CEE9A1309D1C1E9_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCCC#C[Si](C)(C)C,ABCGVAROKLJFIU-UHFFFAOYSA-N
-6DBF885903198713_654994720892A1A1_7019_UN,O=[N]1=CC(=CC=C1)C=CC2=NC3=C(S2)CN(C(C)C)CC3,HBZIUNFJIUQXQR-UHFFFAOYSA-N
-6DE15E4136275234_4175D48EA0B70CDA_6038_UN,CN(C)C1=NC(=CC(=N1)C)CNC(=O)C3COC2=C(C=C(C=C2)F)C3,DABYLXBWBINVJC-UHFFFAOYSA-N
-6DEFBD2FBBBF65D4_3824BE4AA8C1FF2C_6038_UN,CC2=C(NC(C1=CC(C)CC1)=O)C=N[N]2C[Si](C)(C)C,PJPCTVRUGHQWLI-UHFFFAOYSA-N
-6EBDEBEEB1BB091B_BBC4B120E1BF035A_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C(OC)=O)C=C(C=C2)C)C,ZPDVVIGMTOIBRM-UHFFFAOYSA-N
-76404D1BCB011BA2_7B09436C989227D7_6031_UN,O(C(=O)C(=CC1=CC=C(C=C1)Cl)C#N)CC2(OC)CNC2,XHZSFTHHTUTJHO-UHFFFAOYSA-N
-7729972BC3939E3F_5739E27C05131015_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,QMYZKOZHQUEUIR-UHFFFAOYSA-N
-77E89B6B31B4B76F_0E01F3E1F4BC34B0_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC(N5CC3=C([N](C)C4=C3C=CC(=C4F)Cl)CC5)=O,FVYCTQOYJXXFCU-UHFFFAOYSA-N
-7815C435396B597D_8F6C2F262482052C_6039_UN,O(CC2CCC1=C(C=CC=C1)CC2)CC3=CC=C([S](F)(=O)=O)C=C3,BSLGIWHSFONRGX-UHFFFAOYSA-N
-7815C435396B597D_C28A021D8A648ADE_6039_UN,O(CC2CCC1=C(C=CC=C1)CC2)CC3=CC=C([S](F)(=O)=O)C=C3,BSLGIWHSFONRGX-UHFFFAOYSA-N
-78FC60075948709E_A9ADD0A5B40EECA8_6026_UN,CCCC1=CC(=CC=C1)[S](=O)(=O)N3CC=C(C2=CC=C(OC)C=C2)C3,OWEXZAOPPKLBIW-UHFFFAOYSA-N
-7AFD7E0D7CD23A51_AEAC3B16BF61BA24_6003_UN,OC(=O)CC3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CC3,MQLZMQWNEMFOCX-UHFFFAOYSA-N
-7CE77564486C67D5_ABFE7C2272925C73_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3C2=C(C=C(OC)C=C2)OCC3,XTPHZSNXWHSCLU-DJNXLDHESA-N
-7DA0D944F955EE57_15C4E12AD1ECFB90_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=C(C(=CC=C3)Cl)F,FOBWYQQCOABMLT-UHFFFAOYSA-N
-7FE95CAA21C54605_C9CEE042D7FC9CC9_6041_UN,C[P](=O)(C)C1=CC=C(C=C1)NC2CC(F)C3=C2C=CC=C3,BWKZVVFDHSRMQN-UHFFFAOYSA-N
-80EB0E268B64F387_6AA12EE3FF2D3CE5_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([N](=O)=O)C(=C2)F)CC3)C=CC=C4,CELNZEKTEMPVGJ-UHFFFAOYSA-N
-8176535227ADCD46_5DBF01891BB11E56_7019_UN,CC1=C(C=CC=C1)CN2CCC(CC2)NC(=O)C=CC3=C(CO)C=CC=C3,YCCQAKSIFCCDRA-UHFFFAOYSA-N
-82A068FC7828DED6_014F57AC06584FB3_6029_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=CN=N[N]3C(C)C)(=O)=O,OVTIDCBYFCULQB-UHFFFAOYSA-N
-83964736342DC04F_767A5D9105205EBB_6035_UN,C[Si](C)(C)C#CC(OC2=C(C)C=C1C=NC=CC1=C2)CC3=CC=CC=C3,AGYQYFUKTMGIOF-UHFFFAOYSA-N
-83F8E3A870E49A21_A369B1495E9D0184_6039_UN,O(CC1=CC=C(C=C1)C[N]2C=CC3=C2C=C(C=C3)[N](=O)=O)CC4=CC=C([S](F)(=O)=O)C=C4,WQBQHCYHLRXRPB-UHFFFAOYSA-N
-8563B90137FA4480_5312E375CC2F1C1E_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=CC=CC(=C2)C3=NC(=NC4=C3C=CC=C4)Cl)(=O)=O,JCMOBFFSVDLRMQ-UHFFFAOYSA-N
-85B99F503F22ECFD_6F3FAC25C0F6D8D4_6031_UN,COC1=CC(=CC(=C1)OC)N2CC(CC2=O)C(=O)OCC3=CC4=C(C=C3)[NH]N=N4,QKFLASLQSHXWAM-UHFFFAOYSA-N
-85D8CAA79697A342_59D633DA440678E6_7022_UN,COC(=O)C1=CC(=CC(=C1)N3N(C)C2=NC(=NCC2=C3)Cl)[N](=O)=O,MRKTZTXBQKMKSA-UHFFFAOYSA-N
-860E04F3004AD298_C2216C21DEA7F9CA_6038_DP,O(C1=CC(=C(C=C1)F)Br)C(C3(ON=C(C2CNC2)C3)C)=O,VPVDBGJGPQGFID-UHFFFAOYSA-N
-8A50573AFA04E62B_F4742D3C5FF60DFC_6035_UN,C[Si](C)(C)C#CC(OC2=C1C(=CC=CC1=NC=N2)I)CC3=CC=CC=C3,FPJPFLIOEMWSIL-UHFFFAOYSA-N
-8C22D9C0FB2D4188_10B3F6B0AB6EEFF6_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=C(CCl)C=C2OCOC2=C3)(=O)=O,GYOIXWKFUMKHFT-UHFFFAOYSA-N
-8E0D17C72B2F78E6_1F0393EF1A2D9555_6029_UN,C1CSSCCN1[S](C2=CC=CC(=N2)C3=CC=C(Cl)C=C3)(=O)=O,HDPLGUOZTCRZQI-UHFFFAOYSA-N
-9186E360BEEC7976_6AE6CAD287169DDB_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC(C)(N3CCNCC3)C4=CC=C(C=C4)Br,PVTHFKXZQNVBPV-UHFFFAOYSA-N
-923E8802E6D1E80C_10DDE263648FBA73_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=C(CCOC)C=C3)(=O)=O,PEDOAMQJPUOVAK-UHFFFAOYSA-N
-95E100355CAFC5B6_BB28107AFD4821F6_6029_UN,C1CC(CCN1[S](C2=CC=CC(=C2)OC)(=O)=O)C4=NC3=C(C=CC=C3)S4,IHQBKHIOXYEPQY-UHFFFAOYSA-N
-97BF90EF23B65E27_9492CC88EDCFB16C_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C(C3=C(N(C)C2=NC=N[N]2C3)C)=O,RYPPKKOVZRADQC-UHFFFAOYSA-N
-97ECFADB125C94A5_AC5355FF8AEECD03_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NC3(C(N(C)C)=O)CC3)F,UAGMPIGESJSMCW-UHFFFAOYSA-N
-985CBB05E5A3A775_4A610B5D7B2D8FE3_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NN=C(S)[N]3C4=CC=CC=C4,VFARPCWXBGBEGB-UHFFFAOYSA-N
-9A7B779ABECA50FD_E57690B8B6276A11_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC(C(OC)C2CC2)C)C(=O)O3,NFPBPWKGWSGCHP-UHFFFAOYSA-N
-9A82AAB751A54E62_4C1D943B7ADCB85F_6038_UN,COCCCC(NC(C(CC(OC)=O)C1=CC=CC=C1)=O)C(=O)N(C)C,CXHBRSVETMMUOM-UHFFFAOYSA-N
-9AE8066403860F79_1F80341EC5759BDE_6038_DP,O(C1=CC(=C(C=C1)I)Cl)C(C3(ON=C(C2CNC2)C3)C)=O,GYCWTTHVPOBLAB-UHFFFAOYSA-N
-9FD81EA83B71848F_CA54E4A8EA609C71_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4)C(OC)=O)=O,OSRMEPZHPQJNSB-UHFFFAOYSA-N
-A185F5D51A790992_32BA91B4A6618304_6038_UN,N(CC1=NC(=O)NC(=O)N1)C(C2=CN(CC)C3=C(C2=O)C=C(C(=C3)N4CCN(CC4)C(=O)C)F)=O,UCTVNIDLKMXHHA-UHFFFAOYSA-N
-A18A133120DF7539_5CEB63C632ECCD64_6034_UN,ClC1=CC2=C(C=C1)N(C3=C2CNCC3)C4=C(CC)OC=CC4=O,CSALCMVEKQUXQZ-UHFFFAOYSA-N
-A21783C70024EF74_035BBCB0D5EB9EDE_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C)(F)F)(=O)=O,QNAUDKUGCFVFKC-UHFFFAOYSA-N
-A2ECD1396B18568B_2A2E8300366113E7_6039_UN,O(CC2CCC1=C(C=CC=C1)CC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,YYGOOXOEYCDOMO-UHFFFAOYSA-N
-A9EE3E305102CF85_C5CFFEDC82DCFB97_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(C(OC)=O)C=CN=C4)=O,UBVLLOQEIISURJ-UHFFFAOYSA-N
-AA5E76EB20B91941_CD4B51D600518233_6038_UN,CCOC(=O)C1=C(C2=C(N=C1)C(=CC(=C2)C)C)OC(=O)C3=CN=C(C=C3)N4CCCC4,MXTFCPFNBOZFBZ-UHFFFAOYSA-N
-AA70FABED3BAB8A5_442224AF17E501E4_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NCC3C[Si](C)(CC3)C,XWEORPOBJHVVQF-UHFFFAOYSA-N
-AAC316A90507164F_052A0C02F5EB8789_6034_UN,C1NCCN(C1)C3=NC2=C(C=CC=C2)N3C(C4=CC=CC=C4)([P](=O)(O)O)[P](=O)(O)O,ZLXLFKXDGBNQAD-UHFFFAOYSA-N
-AB1E9EE66E9EA56C_FFC06A4EE072BB30_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(O)C=C(C=C2)C(F)(F)F,IQTWOLFVLIRFRY-UHFFFAOYSA-N
-AE14324323FF211E_08DD2B16760A256C_6035_UN,O(CCCN1C(=O)CCC1=O)C2=C(C(OC)=O)C=CC(=C2)N,XQCLBSSKSXTERQ-UHFFFAOYSA-N
-AF551612F762E87A_DC3EB861C3371B3D_6038_UN,CCC(CNC([C@H](OC)C1=CC=CC=C1)=O)C(=O)OC,KXGHISDIGTXAEY-GLGOKHISSA-N
-AF59D8FB0AEDC27C_0AF581F6A2B29CC2_6005_UN,C[C@H](O)C1=CC=C(C=C1)C2=C(OC(CC)C)C=CC=C2,SJISSDMRRPRFCJ-KZUDCZAMSA-N
-B0A6BEF6518D760B_8F4C9F688010E924_6028_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NC(=NO3)C(C)C)(=O)=O,NHQYETYEKFCXBU-UHFFFAOYSA-N
-B1790C4D55819CA9_C8B5E085E9CA4860_6038_UN,CCOC(=O)[C@@H](NC([C@@H](OCOC)C)=O)CC1=C[NH]C=N1,JEGXPLHBTWEZIK-ONGXEEELSA-N
-B71F4958DE09F093_E668905848C0121F_6038_DP,O(C1=CC(=C(C=C1)Br)F)C(C3(ON=C(C2CNC2)C3)C)=O,KNUCNZMNJZXSQZ-UHFFFAOYSA-N
-B83EA34736AF3790_BBC1EC7BD6C45102_6041_UN,C1(=C(C=CC(=N1)C2=CC=NC=C2)C#N)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,SSKSAPMLPANIAI-UHFFFAOYSA-N
-B84AF9EF93BAF1C7_EB1EF3E53CEDAD3D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC4=CC=C(C3=NC2=C(C=C(C)C=C2)S3)C=C4,WISGQMAERRSDLB-UHFFFAOYSA-N
-B8A3B5D5E60037D6_312905AB4FA11881_6038_UN,NC(=O)C1=CC(=CC(=C1)NC(C=C(CCC)C)=O)C(=O)N,RVLRFQBDQCXXHX-UHFFFAOYSA-N
-BA3303CE37944D9F_E698AD5BD82F259E_6031_UN,O(C(=O)C(=CC1=CC=C(C=C1)F)C#N)CC2(OC)CNC2,VHRVIGANNWRCFQ-UHFFFAOYSA-N
-BB7FA9E91D29FC7F_9B66929DC2B94E06_6038_UN,COC1=CC(=C(C=C1)NC(C3=CC2=C(N(C)C)N=CN=C2[N]3C)=O)OC,RQXVGSYGBGULSP-UHFFFAOYSA-N
-BC7C905A65AD4E67_8B0301FE9937C5DD_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=C(C=C(OCOC)C=C3)F)(=O)=O)C=CC=C4,RKQKTLJIAMHWEH-UHFFFAOYSA-N
-BD5D9670E42D4BBD_E532A9A8C201A132_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(O)C=CC(=N2)Cl)(=O)=O,VVJMGMOZCDVUAZ-UHFFFAOYSA-N
-C09EBF0EFED0254A_F2E8AE97A7865A11_6031_UN,O(C(=O)C1=CC(=CN=C1)N2CCCC2=O)CC(CC3=CC=C(C)C=C3)N,QQTIDJBUJVYKLR-UHFFFAOYSA-N
-C197D3271670135D_5FE1360053BB4756_6029_UN,FC1(CN(C1)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3CC3,IXAGWQOQZIFRGN-UHFFFAOYSA-N
-C1ACE64AADF11DF8_1CD795DC72DEDC62_6003_UN,CC1CCC(=CC1=O)OC2=CC=C([S](C(F)(F)F)(=O)=O)C=C2,BTGAWBNPZLQJRE-UHFFFAOYSA-N
-C1F6C8FAFED866E3_90F15E83F8D52006_6039_DP,NC(COCC(NC1=C(C(OC)=O)SC=C1)=O)C(=O)O,VQXVDUUDZXNQKU-UHFFFAOYSA-N
-C2B401BE3D2DE787_4353E15CA5E5036B_6035_UN,COC[C@H](OC2=CC=C(C1=N[N](C)C=N1)C=C2)C[N]3C=CN=C3[N](=O)=O,FWGANQLBMQYRLY-CQSZACIVSA-N
-C4A57150AC1AA5BC_E2EB2F6B2ED230EC_6038_DP,O(C1=CC(=C(C=C1)Br)Cl)C(C3(ON=C(C2CNC2)C3)C)=O,RYUFDYZILIJLPY-UHFFFAOYSA-N
-C568C91DBDABD39B_E9951711D66FCE1A_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(Cl)N=C(N=C3)C4CC4)(=O)=O,QTBYMCYGXDSNDT-UHFFFAOYSA-N
-C5CC9066C2C0C627_DB70C0219EA91DB5_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3CC4=CC=CC(=C4)O[Si](C(C)(C)C)(C)C,GWGWBNZMAMBUCX-UHFFFAOYSA-N
-C6F317FEE353E1FB_730A79547E921A91_6031_UN,CC1CC(CO1)C(=O)OCC(OC)CC2=CC=CC=C2,AFSDURTZPXRIPI-UHFFFAOYSA-N
-C7DB08A83A9AD53A_08534F3A4EC26DF9_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3=CC(=C(OC)C=C3)OC,GZGZIJVVAQKELE-UHFFFAOYSA-N
-C801162280436E70_FAB9360BFB4F49AD_6039_UN,O(C1(CC1)C2CC2)CC3=CC=C([S](C(F)F)(=O)=O)C=C3,CVOLQEPKKNRCHN-UHFFFAOYSA-N
-C80A99FB1E21032B_29EC61547E06F402_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC(=NC(=N5)C)C)(=O)=O,IBOCZXOXBHVJHJ-UHFFFAOYSA-N
-C9BB37B35FA32098_E4B1DF5720E39802_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCC)CCC)=O,IPRCZCDPZNWRCR-UHFFFAOYSA-N
-CB7B4FB4F573AEEE_B936783F468EB5D0_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CO)C=CC=N2)(=O)=O,BHRGNUSUTHEJKM-UHFFFAOYSA-N
-CF18424B5828B011_5067DB3AFE0D0070_6028_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=C(OCCOC)C=C3)(=O)=O,WBBIWMOJIWZKFC-UHFFFAOYSA-N
-CF2C9A47122AF299_D8954E365548AC47_7022_UN,CC(C)C1=CC=C(C=C1)OC(COC)C2=CC=CC=C2,BHEMYKBOCTUTMM-UHFFFAOYSA-N
-D11AAD9818D438ED_A507490E373D7FDC_6038_UN,CC(NC(=O)C1=CC(=CC=C1)C#C)C3=NC2=C(C=CC=C2)[N]3C,HQCPEOQZCMKHEG-UHFFFAOYSA-N
-D1DF91319CC78D55_68193D42B92D4E9F_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(OC)C=CC(=C2)CN(C)C)[N]3C,ZHFMODSJXFPBCL-UHFFFAOYSA-N
-D2C40057689288E7_676855B4D6E71614_7022_UN,COC1=CC(=CC(=C1)NC2=NC(=NC3=CC(=C(C=C23)OC)OC)N(C)C)[N](=O)=O,XYLFBJFRAPWKJR-UHFFFAOYSA-N
-D3A69040417A288B_E01A1F106586BC61_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)NCC3=CC=C([Si](C)(C)C)C=C3,KTBTZRHPFYVCHX-UHFFFAOYSA-N
-D453E0AE495E46FC_DFB7579528B5B4A2_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C5=CC6=C(C=C5)OCCC6,OKLSZEHCCTUDLL-UHFFFAOYSA-N
-D4F543A8360A3952_595F13C0B849AA45_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C4=C(C(C3=CC=C(CC)S3)=O)C=CC=C4)=O,CUCQRHXPGZXJAF-UHFFFAOYSA-N
-D5F9E6CAE9410EB2_CA3371336F953B65_6038_UN,CC2=C(OC(CC(C)(C)C1=CC=C(C=C1)F)=O)C(=O)OC2,WEQLFCOHGAAVRF-UHFFFAOYSA-N
-D691B324C7733175_7231651BDB79C199_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=C(C)[N](N=C3)C[Si](C)(C)C,KMZUPBMAUHDYNM-UHFFFAOYSA-N
-D8852A85FFECF05A_4BC98E123A025E75_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CC(C(CC)C)N,XSNJYLJHFYQBGE-UHFFFAOYSA-N
-D8DD8584FEB55510_E453C15C249E1BFD_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C(CCC)=C)=O,RQRALXYDKRGKGD-UHFFFAOYSA-N
-DAADE84BFF9FC0A1_D2F5B447DD5CF026_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC(N)C3=C(C=C(C=C3)F)F,SAGKLZBXPMMZIR-UHFFFAOYSA-N
-DB4AC619C382CD8A_7F268396880E97B4_6038_UN,CC(C)CC(NC(C1=CC2=C(C=C1)OC(=N2)N(C)C)=O)C3=NN=N[NH]3,NYUNCRVKBXNTOO-UHFFFAOYSA-N
-DDCFC962A24FE57D_108B67ABF5F1DCA3_6039_UN,O(CC1(CC1)C2CC2)CC3=CC=C([S](C(F)F)(=O)=O)C=C3,UBLYZCAHBATRIO-UHFFFAOYSA-N
-DDCFC962A24FE57D_EA2D08559E5EFDF5_6039_UN,O(CC1(CC1)C2CC2)CC3=CC=C([S](C(F)F)(=O)=O)C=C3,UBLYZCAHBATRIO-UHFFFAOYSA-N
-DFB5C3E1B45EBA0D_B9C8E6701BF0FB0F_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=NN=C2C=C(C#N)C=C[N]12)(=O)=O,AFBTUUJYUSQWKW-UHFFFAOYSA-N
-E0204D515F861949_03E135E8EE3D69B9_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C(C(C)(C)C)=C)=O,DOKNGOPLDYGUKG-UHFFFAOYSA-N
-E052BE9BEF2C5699_1EAFDDCD65A1232B_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C(OCC)=O)N=C(C=C2)F)(=O)=O,MDBHULSVLOOOGB-UHFFFAOYSA-N
-E2F1A5DFBA81E7F7_0448D4B7EDE5275D_6029_UN,N(CC1CCC=CCC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,SCCSWVDRSCULIT-UHFFFAOYSA-N
-E306DB818E692A40_17DBEEB0FE94A1B1_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C(C(N(C)C)=O)C=C3)O)(=O)=O,VVPYPELEGKQBCV-UHFFFAOYSA-N
-E31ACEA12624265E_6DB547207A06850A_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3=CC=C(C=C3)OC4CCC4)Cl,UVGZPLTYUYEWKO-UHFFFAOYSA-N
-E41A9DB0F02C3598_8893E0B8A910EB3A_6006_UN,COC2=C(C=C1N=C(C=CC1=C2)C3=CC=C(C=C3)OC4CCOC4)[S](=O)(=O)Cl,WWYOWVIZMFRTKM-UHFFFAOYSA-N
-E4AE9332EE802D93_FBEEDFC045FE58D6_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCC(C)C,NFHOBHSZDVRUBL-UHFFFAOYSA-N
-E4B3C18AB39E0273_3AA02744AF78F404_6026_UN,CCCC1=CC(=CC=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,LQDIVOMGFOFZIN-UHFFFAOYSA-N
-E4DB73BCD965A8BB_A8D38398A77C4E76_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NCCC[Si](C)(C)C,KXOKQWHSJFALFF-UHFFFAOYSA-N
-E4F287B09DE82FB3_9DC1E45B959E6071_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC(C3=CC=N[N]3C)N,LVYGMDVUBGVUBX-UHFFFAOYSA-N
-E552EF578047A3E6_F448AD1421C17F70_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC=C2)OC(F)(F)F)CC3=CC=C(C(OC)=O)[NH]3,XVSOZZLZAAPQEN-UHFFFAOYSA-N
-E85A3BA9D5260A9D_91EDA510F6B68C72_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CC(C)(C)SCC4,QXZIWDLCYIBMFX-UHFFFAOYSA-N
-E9441F89A423D0E5_C9AA57305A012C92_7019_UN,FC(F)(F)C1=CC2=C(C=C1)SC(=N2)C=CCC(C)(C)C,SGJOEYSISXGASC-UHFFFAOYSA-N
-EA17E67B89A04BFC_934A7A53F840850F_6029_UN,OC1C4=C(OC2(C1)CCN(CC2)[S](C3=CC=CC(=C3)P(Cl)Cl)(=O)=O)C=CC=C4,RNMOHBYSUNNZTH-UHFFFAOYSA-N
-EAB9935B85913FDB_7F8E72E9BB27035A_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC2COC3=C2C=C(C)C=C3,BMGIZGYEYQBYED-OEMAIJDKSA-N
-EABF9303E2F2C89E_B153E1084899874E_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NCC2(OC)CC2)C(=O)O3,BIOOBGYDLOESPY-UHFFFAOYSA-N
-EAFA14516A18FB67_C18573AC87C86312_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C[N](N=C2C)C3=NC=CS3)(=O)=O,NBEVVWRDCDIWMR-UHFFFAOYSA-N
-EBDC71E04CB08C31_82FC3D206FCBF408_6039_UN,CC(C)O[C@@H]1COC[C@H]1OCC(OC)CC2=CC=CC=C2,BASHHISGLWDWBF-YJEKIOLLSA-N
-ECC3047F99CEABCA_7C3B74C2EF171A1E_6003_UN,CC1=CC2=C(C=C1)C(=C(C=N2)C(=O)O)OC4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,XKZOZXANPLMCGU-UHFFFAOYSA-N
-ED455698CD7F57CF_E05257FC39A8B052_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3C2=C(C=C(OC)C=C2)OCC3,XTPHZSNXWHSCLU-ZYMOGRSISA-N
-EF19CE9AEF5D7E50_B273726B120A6EAA_7005_UN,N1=C(CC#C[Si](C)(C)C)[NH]C2=CC(=CC=C12)C3=CC=CS3,XCOFFNUATWHFKC-UHFFFAOYSA-N
-EF610CE542EB4400_22FEF6194C6BDBD7_6035_UN,N[C@H](COC1=C(C=C(C=C1)C#N)[N](=O)=O)C2=N[NH]C=N2,LHURBDPCWDQWAF-MRVPVSSYSA-N
-F30621CE778D94AE_5CB3F1053B13DBBB_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(O)C=C(C=C2)OC(F)(F)F,UFNVLDMWCKIYNQ-UHFFFAOYSA-N
-F4A95F16967D8EB4_6D73F0C03044181B_6039_UN,CC(C)C1=CC(=CC=C1)OCC(OC)C2=CC=CC=C2,SOMJITQGEHAIQO-UHFFFAOYSA-N
-F867D73436B54A6B_9A6CC90D2BE1B9E9_6038_UN,NC(=O)C1=C[N](N=C1)CCOC(C=C2SCC(N2C)=O)=O,JWUKWZWCFRNUQK-UHFFFAOYSA-N
-FB2098D2755AB8C8_E64140EE1D603A7D_6038_DP,O(C1=CC(=C(C=C1)I)Br)C(C3(ON=C(C2CNC2)C3)C)=O,YXZMJVVTAZBKMI-UHFFFAOYSA-N
-FD5E3A492621DFA5_05FB7CC406DDC770_6038_DP,O(C1=CC(=C(C=C1)Cl)Br)C(C3(ON=C(C2CNC2)C3)C)=O,SMQJRSZAEPFACS-UHFFFAOYSA-N
-FD63BFE951FE7233_4D34A5A19444C313_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,UPKQDHGYZKHBOE-UHFFFAOYSA-N
-FE3012C6E5CCC2C0_897507D422537A89_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=CN=C2C(=CC=C[N]12)C#N)(=O)=O,IOQJZJBJKVOMBY-UHFFFAOYSA-N
-FF7CBF86A8C1E6D2_9DBE1B36D21897EC_6038_UN,O([C@@H]1COC(=O)C1)C(CC(CC2=CC=CC(=C2)OC)C)=O,RKXNZPYNOMGIKO-IAXJKZSUSA-N
-rxn:1:44741:32371,CC(=O)c1ccc(F)c(C#CCCn2cc(C(C)N3CCCN(C(C)=O)CC3)nn2)c1,HUNXOHXHJLPCBL-UHFFFAOYSA-N
-rxn:1:49259:12315,CC(=O)N1CCC(C(=O)Nc2ccc(-c3cn(CCC(O)C(O)c4cc(Cl)ncc4Br)nn3)cc2)CC1,VDOIKZBOVHOUBI-UHFFFAOYSA-N
-rxn:1:49514:24809,CC(=O)SCC1C(c2cccc(-n3cc(C4CC(=O)N(CC(C)(C)O)C4)nn3)c2)C1(F)F,YJLDTGFAGPVVFE-UHFFFAOYSA-N
-rxn:1:50319:9569,CN1CCN(c2ccc3[nH]cc(C(=O)Nc4cccc(-c5cn(CC6C(c7cnc(C(=O)O)nc7)C6(F)F)nn5)c4)c(=O)c3c2)CC1,BNXCNVNXJHURJV-UHFFFAOYSA-N
-rxn:1:50699:8285,Cc1ccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)cc1C(=O)O,VHNHVTFXOVGSDK-UHFFFAOYSA-N
-rxn:1:50707:8284,CC1(c2cc(O)[nH]n2)CCCN(C(=O)c2cn(CC3C(c4cccc(CC(=O)O)c4)C3(F)F)nn2)C1,FKVMMQPBHAMDHP-UHFFFAOYSA-N
-rxn:1:50715:39647,CC(=O)Oc1ccc(C2C(Cn3cc(CC4(C(=O)O)CCNCC4)nn3)C2(F)F)cc1,GQMBXNXCNNDLPX-UHFFFAOYSA-N
-rxn:1:50735:8284,CCC(=O)c1cccc(C2C(Cn3cc(C(=O)N4CCCC(C)(c5cc(O)[nH]n5)C4)nn3)C2(F)F)c1,WHLLVEZSZXJIGO-UHFFFAOYSA-N
-rxn:1:51042:25308,COc1ccc(O)c(N2CC(c3cn(CC4C(c5ccc(OC)c(C(=O)O)c5)C4(F)F)nn3)CC2=O)c1,XUUDBSXIQUBEIK-UHFFFAOYSA-N
-rxn:1:51540:32371,CC(=O)NCC1C(c2cccc(-n3cc(C(C)N4CCCN(C(C)=O)CC4)nn3)c2)C1(F)F,WSAXKWHYRREIAV-UHFFFAOYSA-N
-rxn:1:54545:33088,CC1=CCC(C(=O)Nc2ccc(C)c(-c3cn(CCC4C(c5cnc(C(=O)O)c(C)c5)C4(F)F)nn3)c2)CC1,PMLJBWYTEZBNOL-UHFFFAOYSA-N
-rxn:1:57998:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC(=O)NC(=O)c4cccn4C)nn3)C2=O)c1,KMRJBJUYBOREEM-UHFFFAOYSA-N
-rxn:1:59631:788,O=C(c1ccc(Br)o1)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc5c(c4)OCO5)C3=O)nn2)CC1,FJBLXVLFVBRPKX-UHFFFAOYSA-N
-rxn:1:59643:5312,COc1ccc(C(=O)N2CCC(n3cc(Cn4c(-c5c(F)cccc5F)nc5c(c4=O)CNCC5)nn3)CC2)cc1OC,LOQMMMXCLZGYHD-UHFFFAOYSA-N
-rxn:1:59808:38898,COc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(C(F)(F)F)cc5)C4=O)nn3)CC2)cc1,OUCZOFFRWUQLTQ-UHFFFAOYSA-N
-rxn:1:59813:3549,COC(=O)c1ccc(C(=O)N2CCC(n3cc(COc4c(OC)cc(I)cc4C(=O)O)nn3)CC2)cc1,ASJNQAWBHMHOEH-UHFFFAOYSA-N
-rxn:1:60308:12604,COc1ncccc1C(=O)N1CCC(n2cc(-c3cccc(C(=O)N4CCN(c5ncc(Br)cc5C)CC4)c3)nn2)CC1,KPHIICTXTWOSRE-UHFFFAOYSA-N
-rxn:1:61248:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(C4CN(C(=O)c5ccnc(OC)c5)C4)nn3)C2=O)c1,QGOYDMSFVRCQQR-UHFFFAOYSA-N
-rxn:1:61489:788,Cc1ccc2c(c1)N(C(=O)Cn1cc(CN3C(=O)SC(=Cc4ccc5c(c4)OCO5)C3=O)nn1)CCO2,HSJUQOPVKGGRJY-UHFFFAOYSA-N
-rxn:1:61538:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)N1,GGPHIDNBOXJIAU-UHFFFAOYSA-N
-rxn:1:61978:9426,COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cn(-c2ccc(C(=O)N3CCOCC3)cc2)nn1,CVTGDMCCVWFAAI-UHFFFAOYSA-N
-rxn:1:62150:1307,CC(C)Oc1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(F)(F)C(=O)O4)nn3)C2=O)cc1,MNUGUBQMCHWGAC-UHFFFAOYSA-N
-rxn:1:62652:13491,CC(C)(S)[C@@H](C(=O)O)N1CC(Cn2cc(-c3cccc(C(=O)Nc4ncc(C#N)cn4)c3)nn2)CC1=O,IRPWLRDBHNBTAH-YBMSBYLISA-N
-rxn:1:63040:10795,CCc1ccnc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5cc(OC)ccc5OC)C4=O)nn3)CC2=O)c1,GUCMEUGTCCKRKP-UHFFFAOYSA-N
-rxn:1:63178:14726,COC(=O)c1cc(Cl)cc(N2CC(Cn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)nn3)CC2=O)c1,HWNYFFFNCLMYNT-UHFFFAOYSA-N
-rxn:1:63245:941,COc1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5ccc(OC)cc5Br)C4)nn3)C2=O)cc1,MKDLZQBRHVDLQH-UHFFFAOYSA-N
-rxn:1:63257:941,COc1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5cc(OC)ccc5F)C4)nn3)C2=O)cc1,MNJFLZSJJUJLCJ-UHFFFAOYSA-N
-rxn:1:63405:247,COC(=O)c1cc(Br)cc(N2CC(Cn3cc(C(O)c4ccc(OC)c(B(O)O)c4)nn3)CC2=O)c1C,NWWVDDFSTRKNCZ-UHFFFAOYSA-N
-rxn:1:63525:29320,Cc1ccc(N2CC(Cn3cc(COc4ccc(Cl)cc4C(=O)N4CCN(C)CC4)nn3)CC2=O)c(C(=O)O)c1,BPSCZHZYVPKUMQ-UHFFFAOYSA-N
-rxn:1:64757:13693,O=C(Nc1ncc(Br)nc1N1CCCC1)c1ccc(-c2cn(CC3CC(=O)N(c4ccc(Br)cc4C(=O)O)C3)nn2)cc1,YVRUCUXVOHVZER-UHFFFAOYSA-N
-rxn:1:65528:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5cc(Br)ccn5)C4)nn3)C2=O)c1,ICYRIVFTATYYPA-UHFFFAOYSA-N
-rxn:2:111757:97899,CCN1CCS(=O)(=O)c2ccc(NC3CC4(CCN(C)CC4)Oc4ccccc43)cc2C1,LHRVDKIKHZOSMB-UHFFFAOYSA-N
-rxn:2:133719:121598,CC(C)(COc1ccc(C2CCCCC2)cc1)NC(c1cccc(S(C)(=O)=O)c1)C1CC1,FFCXNYFWWIFQAP-UHFFFAOYSA-N
-rxn:2:140446:153335,CCN1CCCC(Oc2ccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)cc2)C1,TUBQLJRMKDIDLI-UHFFFAOYSA-N
-rxn:2:89397:121598,CCC1CCC(CCC(C)NC(c2cccc(S(C)(=O)=O)c2)C2CC2)CC1,QCUHKBAWYWAFFV-UHFFFAOYSA-N
-02748FD8D6FF764D_75E53998B8EC9F37_6029_DP,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=NC=C(C(N5CCNCC5)=O)C=C6)(=O)=O,IVHSRSWUVRDCFC-UHFFFAOYSA-N
-04808BE81DB2C799_D71853EE0F9D2EC6_2875_UN,CN(C)C3CCN(CC[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,KAIJSIJGHYFQJQ-UHFFFAOYSA-N
-056266860067A1BA_4C7C5229D0FF8AC2_6038_UN,N(CCS[S](=O)(=O)O)C(=O)C1=CSC(=N1)C2=C[NH]N=C2,VQIHMCHYQRXLMF-UHFFFAOYSA-N
-082CD8592B4B70B1_80DABDB69EB1A894_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC3([S](C)(=O)=O)CC3,CDSSYKLONCDYLM-UHFFFAOYSA-N
-090EA5B49A88BCDF_63BC03A92554390A_6029_UN,N([C@H](CCC(=O)O)C(=O)O)[S](C1=CC=C([N](=O)=O)S1)(=O)=O,YSCFFVWRRAEPMH-RXMQYKEDSA-N
-095E648D5910EED2_403493C0FE6595B9_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NC(C)(C)C2=N[NH]C(=N2)C3=CC=CS3,NHMGRNBEJFQMDI-UHFFFAOYSA-N
-095E648D5910EED2_94C37586A050840A_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NC(C)(C)C2=N[NH]C(=N2)C3=CC=CS3,NHMGRNBEJFQMDI-UHFFFAOYSA-N
-09C6DF917F77F1FB_51A33E0AF5E6CE38_6038_UN,CCC1=NCCN1CCNC(C2=CC=C(CN(C)C)[NH]2)=O,ODBJSFIAZATWAM-UHFFFAOYSA-N
-0AD0686C361BAC4E_4996F1B88464AA07_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=C(OC(F)F)C=C3)(=O)=O,CHUFPXAGVUUEPP-IEBWSBKVSA-N
-0AE6CB28D0B40B5C_B64B5DF3C1A1B5D1_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,IHIDSHKNVKQTSL-VHSXEESVSA-N
-0B695538D3C8C7F4_4DEE4F4197152DDC_6038_UN,S(C1=CC=C(C=C1)C2CCCCC2)C(=O)C4=CC(=O)C3=C(C=C(C=C3)F)O4,RCWBMFBALIVYAO-UHFFFAOYSA-N
-0BEA359FD4180751_94C78181CE0E7D76_6039_UN,CC(=C)C(F)(F)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,QCWGJCHCTURPGR-UHFFFAOYSA-N
-0C1FA89B8C9897C3_9F3607B4E2626701_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3CC4(C)COC(=O)C4,PVJPKUVXOKPGAG-UHFFFAOYSA-N
-0CA7D2F92BF0A3E4_5C1C780523CF0D9C_6038_DP,NC1=NN=C(S1)C2=CC(=CC=C2)OC(C4=NOC3(CNC3)C4)=O,LFXNQTIMTARNCZ-UHFFFAOYSA-N
-0CDDAAEB064AAB1B_61CC24955F9447FA_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C)C=C(C(=C2)Br)F)=O,NVGNJAPBMKMYJN-UHFFFAOYSA-N
-0DA98FE2ED81EFC5_531E1DD8D4E48290_6041_UN,CCOC(=O)NNC1=NC=NC(=C1)NC2(C(N(OC)C)=O)CC2,GWEIPHTWHAHYMK-UHFFFAOYSA-N
-0E3AFC8C280A4B8B_C2FFB223C4A1EB22_6038_DP,CCCC(NC(CC(C(O)=O)=C)=O)C(=O)NC1=NC=CS1,APHLTIFSIHQVOM-UHFFFAOYSA-N
-0E50DCF32C45696D_0EE47850B4B546AC_2201_UN,CC3=CC2=NC1=C(C=CC=C1)C(=C2C(C3)C4=CC=CC=C4)CC5CCC5,ODQOMEUQTQCRIT-UHFFFAOYSA-N
-1242357A98396BB1_5B8B7C9515E80C14_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3=CC=CC(=C3)B4OC(C(C)(O4)C)(C)C,BYWWXUCJAGPXKH-UHFFFAOYSA-N
-141813EFB3638384_66C45EA2D2877873_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,YROXMKNHXRBHNE-UHFFFAOYSA-N
-14589F71A1E5D793_FDEF8929E8215C0A_6039_UN,O(CC(=C)C(=O)O)CCOC1=CC=C([S](Cl)(=O)=O)C=C1,ITWRVGVBBQMMTN-UHFFFAOYSA-N
-16644D7D2A548149_0F8C8A8EB4D86C92_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,BIKXVXNCVJDTDY-UHFFFAOYSA-N
-179026C20EE44F16_0D5B5510C4001872_6031_UN,O(C(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)CC(OC)C3CCC3,HJWVYFTTYFYSSG-YSPPHNQVSA-N
-192C64EC23E3E5E2_8FD026165850DC9E_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)B4OC(C)(C)C(O4)(C)C,QZIOHQAXBQTNOQ-UHFFFAOYSA-N
-19F182026C1B1486_76198D7A2707EEE9_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C=C2)C(=O)C3=CN=CN=C3)(=O)=O,XCZXUSRKISNXAB-UHFFFAOYSA-N
-1A7175EDCDA3148C_69691CAEE6F1651B_6031_UN,CCC(CC)C(CN)C(=O)OCC1=C(Br)SC(=N1)CC,DGERBGQRBDXNBX-UHFFFAOYSA-N
-1A8B28195BBBB0BC_CB363FE0B524895B_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC#C[Si](C)(C)C,PHEWHPDZUAYNAS-UHFFFAOYSA-N
-1AF88CD6D71B3DC2_F8A075678376A1BF_6029_UN,N(C1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,WHQONSJMTNZWDF-UHFFFAOYSA-N
-1B6154EDCFAD71FA_AA776446F12BEEE8_6028_UN,N(CCS[S](=O)(=O)O)[S](C1=N[NH]C(=N1)C2=CN=CC=C2)(=O)=O,WAWQGPFPRIVJGF-UHFFFAOYSA-N
-1BC98BF57F39B581_1300B4BAF25F187F_6039_UN,O(CC1(CC(F)C1)C2=CC=CC=C2)CC3=CC=C(O[S](F)(=O)=O)C=C3,ZQTZANQGUAWAPK-UHFFFAOYSA-N
-1DE922C5B47BFF08_71D9FADCC2142A6D_2875_UN,OCC3(C[N]1N=NC(=C1)C(C2=CC=C(C)C=C2)=O)COC3,QXEAZLSIGHBMBB-UHFFFAOYSA-N
-1E8423969B757B45_3C4F141FA712A4BE_6041_DP,CN(C1CNC1)C(=O)C2=CN=C(N=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,JNZYUESTYBKFPD-UHFFFAOYSA-N
-1F63CECC0114C526_FD8B97263D41D43D_6029_UN,N(CCS[S](=O)(=O)O)[S](C2=NC1=NC=C[N]1C=C2)(=O)=O,ZBUCLDYLATYTAW-UHFFFAOYSA-N
-1FEE3623DDC2DD22_2E0C8E02FBE9283B_6029_UN,N(CC1OC(OC1)=O)[S](C2=C(O)C=C(C(=C2)I)F)(=O)=O,OPQLAFGNCJWHRM-UHFFFAOYSA-N
-20A8E85C778E1169_3E0D3E043FBF90B1_6039_UN,CCC(C)C(OCC1=C(C(OCC)=O)CNC(N1)=O)CN(C)C,XVVSBRJJPKSYLE-UHFFFAOYSA-N
-2160F6107E719A35_2C019F7C5CDE8CA8_6039_UN,O(CC1=CSN=N1)CC2=C(C(OCC)=O)CNC(N2)=O,DQXDQDZWBUSYMV-UHFFFAOYSA-N
-246B4462FAD2490D_DA55E11DC0114DD1_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NCC#CCN(C)C,SXPMFQBWXPNZFE-UHFFFAOYSA-N
-2556783842C81C81_09D891199034D461_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(F)(F)Br)(=O)=O,ZQDYPIVQMJGLNK-UHFFFAOYSA-N
-2559BFFA09B13AF9_E53BAC4424957C46_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,BOWSXMWLUSHDMM-QPUJVOFHSA-N
-26C26B3D4D7CC025_3DC5E750E0DE9EC8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCCC3=C(C)C=NC=C3,BBARHCAXGGRMTP-UHFFFAOYSA-N
-26E7C7BA9079DF88_F8EA89890AFAD9FD_6028_UN,N(C[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,FBQOCTHHWIMIGK-AAEUAGOBSA-N
-273F95EEADAF5889_7CCEF8C6560403D2_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)N3N=C(N(C)C3=O)SCC4=C(SN=N4)Cl,QUHMPFLKWOOWIH-UHFFFAOYSA-N
-28F8454DD92284C3_7935A00FED4C0382_6039_UN,CC(OCC([S](F)(=O)=O)=C)(CC1=CC=CC=C1)C(=O)O,BXNCTKIDNBWGBY-UHFFFAOYSA-N
-299A5939EE6ADACC_C870491BDCF29B91_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C3N(CCC)C(=O)C1=C(C=CC=C1)[N]23)(=O)=O,KSHMFDCOVZIVBK-UHFFFAOYSA-N
-2A8463A35BEF305A_D7214146A854F4E2_6041_UN,CSC1=NC(=C(C#N)S1)NC2(CC2(C)C)C3=CC=CC=C3,YBVKYSAITUQFGP-UHFFFAOYSA-N
-2C616F0F9510CBA5_08F03197D7E67DB3_6038_UN,CC(NC(C1(C(N(C(C)C)C)=O)CC1)=O)CCN(C)C,HBVYEOKHDCTNDO-UHFFFAOYSA-N
-2DA8130AD26030F4_4BF23A014E59EFFB_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC4=CC=NC(=N4)C[S](C)(=O)=O,VVKQSSLEEHPTHT-UHFFFAOYSA-N
-2E3AA7F885205F83_E96174784AA4C88D_6038_UN,N[S](=O)(=O)C1=CC=C(C=C1)OC(=O)C2C3=C(CCC2)N=CC=C3,KBCNOLQNEPOXJW-UHFFFAOYSA-N
-2E415CFEF708C8ED_DD1FEEB37033A373_6038_UN,N(C1C2=C(OCC1)C=CC(=C2)C3=CC=CC=C3)C(=O)C4CCN(C4)C(=O)C5=NN=N[NH]5,LXCSBFNKJHIBKH-UHFFFAOYSA-N
-2F6452A19816BF37_C4108D2234AB86CA_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)(=O)=O,CMPOBVQRLXILHQ-UHFFFAOYSA-N
-30883175CDD0485E_75D168A1597626C1_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,CFXSQFUUIORILX-UHFFFAOYSA-N
-34FB4389A7653785_B51D23CAD2DA355C_6038_UN,CN(C)C1=C(C=NC=N1)NC(C2(N(C)C)C3=C(OCC2)C=CC=C3)=O,OMQMMZBJFPMEDU-UHFFFAOYSA-N
-367FF7BD970D94F3_BFA331A7B285CA82_6028_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC=CC(=C3)C(F)(F)F)(=O)=O,YNEUDJDVFJAYAE-GXFFZTMASA-N
-36926574AFD7FBFA_F18D9A4C2A6514A9_6029_UN,N(C1=C(C(=NC=C1)O)[N](=O)=O)[S](C3=NN=C(C2(C)CC2)[NH]3)(=O)=O,CXYXUROIBPUKKU-UHFFFAOYSA-N
-36A9C8D4C875957D_465D2EBB6736C012_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=CO5)(=O)=O,RZJAIUGPRAGECL-UHFFFAOYSA-N
-370FDAB08301F68E_E01BF265FA773D52_6035_UN,CCCCC(OC1=NC=C(C=C1)[S](=O)(=O)F)(CCl)C#C[Si](C)(C)C,OUQKXMXTTGGDEI-UHFFFAOYSA-N
-371DEA53DB137509_2E8366A55AF76F3A_6029_UN,OB(O)C1=CC2=C(C=C1)C=N[N]2[S](C3=NN=C4C(Br)COCC[N]34)(=O)=O,LJYBXQAIEFDWCA-UHFFFAOYSA-N
-3826B05A667E96ED_3A1F1A23C4390892_6038_UN,CCC(C#N)C(OC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N)C3=CC=CS3,UVJFHMWGZPRQKC-UHFFFAOYSA-N
-387BF0338BC87A74_6F443C564AA7D498_6038_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C(=O)C3=CC=C(O3)[S](=O)(=O)O,XIBFMZGGYHXOEN-UHFFFAOYSA-N
-3AEA1FAE943B1945_DEF29F7457F9D22A_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(C=CC(=C3)C(F)(F)F)C=C)(=O)=O,PBIIAWHJVYZOPG-JCNLHEQBSA-N
-3C042950EEFD2FA8_042C09F774970981_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C2=C(C=C(C=C2)F)C3CC3,WCIPJYTVTUOMCK-UHFFFAOYSA-N
-3C04C821B0C15864_3D8DCD68881E2AF2_6038_UN,N(C1CCCOC2=C1C=CC=C2)C(=O)CCCC3=N[NH]C=N3,BWDDTYUCNRDBAE-UHFFFAOYSA-N
-3D77581BA74EDF40_F5F74B0C9800746B_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,DWBKVQQDTKYVLM-UHFFFAOYSA-N
-3D8C65676E388E47_007770E084CC4907_6028_UN,N(CCS[S](=O)(=O)O)[S](C2=NC1=C(C=NC=N1)[NH]2)(=O)=O,ORNDUVAOQKEZED-UHFFFAOYSA-N
-3DBB59DBFF9B22B8_72C7EFF5D3CCF9DB_6038_UN,CC3(C)C(OC(CCC1=C(C)C2=C(NC1=O)NNC2=O)=O)CC3=O,SQPYILTUHDIWPI-UHFFFAOYSA-N
-3EA177FC5E98B436_9FBAB3D3DB6F92F3_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3C4N(C)C(CC4)=O,AYGMJSAARMHOCG-UHFFFAOYSA-N
-3FB7D5E6D16176DF_18E48F9B4DB97416_6038_UN,CC1=CC(=C(C)[N]1C2CC2)CNC(C(CCN(C)C)=C)=O,SMFGOAMKBXJYIT-UHFFFAOYSA-N
-40B9CED3B77C2850_EB9D6CF58EF8F2FB_6035_UN,CC[C@@]2(OC1=C(C=C(C=C1Br)Br)[S](=O)(=O)Cl)C[C@H]2C3=CC=CC=C3,ONFYOGVDCYUUNK-SUMWQHHRSA-N
-433ED5F0454D2D76_D5EB4A7DC15594D6_6029_UN,C(OC1=CC2=C(C=C1)C=C[N]2[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)S3)S4)(=O)=O)C5CO5,WSIVNJKWJKHFLU-UHFFFAOYSA-N
-45A885012975C638_41500B3C35F1948F_6038_UN,N(C1CCCOC2=C1C=CC=C2)C(=O)CCCC3=NN=N[NH]3,GXRGTQNZBJKDKU-UHFFFAOYSA-N
-4618131B173F3227_F7D10D8C1D8E5344_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)F)Cl,KFNNUTMPFSBUKB-UHFFFAOYSA-N
-47FF0F412FB58525_8E40DD2B37241B5F_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=NN=C(C3CC3)[N]4C5CC5)(=O)=O,YIBHSRRFGIHUFE-UHFFFAOYSA-N
-4887C91E74E11233_9203EDED1B2E2E12_6035_UN,O(C(C(=C)C#N)C1=CC=C(C=C1)[N](=O)=O)C2=C(N=C(C=C2)I)Cl,VEKMJDBFNDQYRK-UHFFFAOYSA-N
-49299EF9FC0FDCB9_70886B001BF17370_7019_UN,C(C(=C)[S](=O)(=O)Cl)=CC1=CC(=C([N](=O)=O)C=C1)OC2CC2,UMQSEVYFMNCGKD-UHFFFAOYSA-N
-49C9D289821FA1EF_573965E58C6495E5_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)[C@H]3C[C@@H](N)C3,USFXCQLSKDJPKY-OKILXGFUSA-N
-4BA871F6CE0A444C_3870441CD0D900B6_6038_UN,N(C2=C1C=CC=NC1=CC=C2)C(=O)CC3(CCSCC3)[N]4C=NN=N4,NDDJRSDSCMKCDC-UHFFFAOYSA-N
-4BE813FBD4EE2771_23C94B1BC5CA6314_6038_DP,N2CC(CNC(C1=C(CC)C=CC=N1)=O)(COCC[Si](C)(C)C)C2,OHHAJRPNKMTECX-UHFFFAOYSA-N
-4C280F67F5B1BC9E_A3A6168D400D1530_6026_UN,O=[N](=O)C2=C(C=C1OCCCOC1=C2)[S](=O)(=O)N3CCN(CC3C)C4=CC(=C(C=C4)Cl)F,GIGUEQUIHRIUPA-UHFFFAOYSA-N
-4DE4200928505B73_D6323DFFA799ADEE_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(CNC3)C(=O)O,QQNHSPDMRMNHLZ-UHFFFAOYSA-N
-502BEC0FA6C84186_E8BAB26156AC7EFB_6031_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)Cl)C(=O)OCC2OC2C,OFJOPOWJDCBJSQ-UHFFFAOYSA-N
-50669798885074C6_A897465F8421A754_6034_UN,CC(N)CC1=CN(C2=C1C=C(C(=C2)F)F)CC4=C(N(C)C3=NN=N[N]3C4)C,IIFZGBNHGKUVTF-UHFFFAOYSA-N
-5086DD5916C8561A_B0446F8A6CEFEBA6_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3(CC[Si](C)(C)CC3)C4=CC=CC=C4,OIPPRMKFWINPDC-UHFFFAOYSA-N
-53F6B881D9A61791_E90230D8DF4370DC_6035_UN,O(C1(CCC1)C2=C(C=CC=C2F)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,NLGSZNITQMZNNB-UHFFFAOYSA-N
-543395F3368C3FFA_B1858A7CE18B570D_2875_DP,N1CC[C@@H](O)[C@@H](C1)[N]2N=NC(=C2)C3=CN=CC(=C3)C(N)=O,SQHLDGOIEDMMET-VXGBXAGGSA-N
-548B3B644B8CA52E_AFFD0A59D5E052E8_6035_DP,OC(=O)[C@H]4C[C@H](OC3=CC1=C(C(C(=C(C)O1)C2=CC=CC=C2)=O)C=C3)C4,TVVVYHANNMNXLW-KOMQPUFPSA-N
-54C2C81A57158E71_9240135F3CE73BE1_6038_DP,N(C1=C(C=CC(=C1)C2=NN=N[NH]2)F)C([C@@H]3CSCN3)=O,SAWRNKIKZZLBGQ-VIFPVBQESA-N
-55FBFE08F4D78850_15AC1B7D562511DC_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C3N(CCCC)C(=O)C1=C(C=CC=C1)[N]23)(=O)=O,NWZCVJMOTUQGQT-UHFFFAOYSA-N
-5659CE11BC527046_6117C3BEBEB86E6D_6038_DP,CCOC(=O)C(NC(C2=CC=C(C[N]1N=C(C)C(=C1C)[N](=O)=O)O2)=O)CC3CNC3,ZNPHYNQBAWDFFH-UHFFFAOYSA-N
-56A64B86E6EC5D0E_B7F744437F438945_6026_UN,FC1=C(C(=CC=C1)F)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=CC(=CC=C3)OC(F)(F)F,MZIQPLWHHYJCPE-HAQNSBGRSA-N
-57E4C85693B4F33D_67DA859C81ECE80A_6026_UN,O=[N](=O)C1=C(C=CS1)[S](=O)(=O)N3CC(C2(C(F)(F)F)N=N2)C3,AQUIKWCWIZGNEW-UHFFFAOYSA-N
-5A1DE790F45785D8_4C727278879737A1_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)F)F,CDAODYPAUCYRJO-UHFFFAOYSA-N
-5C06E46D48A6B812_1C2C9FF4B892C59C_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)Cl)Br,UIOOZPJHBPRIQC-UHFFFAOYSA-N
-5CCE66BCF68EA3E8_4328D3B25C2AC877_6038_DP,OC[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)O,DXNPHPAFUBJQNW-YFKPBYRVSA-N
-5D27CF5B7A78C009_A9FA7CBC2706FB67_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=CC=C(SC(F)(F)F)C=C3,XEJCMJQKGIVTOV-UHFFFAOYSA-N
-5E18C2EAF641BEE2_816BFFE11DF720FA_6029_UN,CCN(CC1=CC2=C(C=C1)OCO2)[S](C3=C(C(=C(OC)C(=C3)[S](=O)(=O)Cl)[N](=O)=O)C)(=O)=O,PVWVDRZASFMKLU-UHFFFAOYSA-N
-5F4E5837F5692C74_77AB92986937CAB2_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,GWUPKQALGIIMPG-VHSXEESVSA-N
-61143F53C20FF656_F47D5B8B4BB65B5C_6031_UN,O(C(=O)C1=CN=C(N=C1)N2CC[S](=O)(=O)CC2)C[C@H]3[C@@H](N)C4=C(OC3)C=CC=C4,JAEUKYYXMWIJLS-WMLDXEAASA-N
-614DEAD5858A018C_7F21D3A3D375B6A0_6038_UN,CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,IUYZUGZJRGLNAM-UHFFFAOYSA-N
-61EEFD9A3CCD5EAF_02BB955AECA76D00_6029_UN,N(C1=C(C(=C(C=C1)Cl)I)F)[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O,IAVXNBLKBIVUAK-UHFFFAOYSA-N
-6288ADD762C41256_F01685E2292A0210_6034_UN,NC1=NN=C(N1CC#C[Si](C)(C)C)C2=CC=C(C=C2)Br,DAJHETFGKGIXOJ-UHFFFAOYSA-N
-62E9AF2B2F556F4D_1F34D6F68C3BCC63_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2F)C#N)Br,CDXSTIXDPRRJEX-UHFFFAOYSA-N
-63ACC8CA2C035999_3297CD029C05A139_6035_UN,O([C@@H]1CO[C@H]1C2=CC=CC=C2)C3=CC(=C(OC)C=C3)F,FLCZRCGHXINPQY-CVEARBPZSA-N
-63E5E228DE92F27D_8BEBD5D5DE360D82_6041_UN,CC(C)C(=O)CCC1=CC=C(S1)NC[C@H]2OC(OC2)=O,GGYRCVRGXTZSDW-SNVBAGLBSA-N
-645B13596507299B_730BC8612434B0EA_6041_DP,CC(C)C1=NC(=NC(=N1)NC2=C(CNC2)C#N)N(C)C,WTTHLTLGOLQGOS-UHFFFAOYSA-N
-65D445F7993B5079_20AD0DE471D7899A_6029_UN,O=[N](=O)C1=NC=C(C=C1)N2CCN(CC2)[S](C3=C(B(O)O)C(=CC=C3)F)(=O)=O,XHTRSPRCHOYNAF-UHFFFAOYSA-N
-661DF52B2EA0AEE8_11AFCD90C69CAF53_6038_UN,C[Si](C)(C)C#CCCNC(=O)C[N]1N=NC(=N1)C2CC2,OWEAYGCHUDCWLQ-UHFFFAOYSA-N
-668CEF9B15905A48_27875A7DD5ED1DF0_6029_UN,CCC(=CC(=O)OC)N[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O,PURCMCAVUNWHDC-UHFFFAOYSA-N
-66B82D05924BAE3D_0AF2BDDFE45A113A_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Br)[S](C3=C(C=C(C=C3)Cl)Cl)(=O)=O,FSKLDYAQOOLALY-NOZJJQNGSA-N
-66C1AB20C0329B5E_BEF3197C1D12F00E_6038_UN,CCC(C)C(OC(CC1OB(O)C2=C1C=CC=C2)=O)CN(C)C,TZIGPOYDBCHZOM-UHFFFAOYSA-N
-66CA7A4580642134_011945F3B310A519_6041_UN,CCOC(=O)NNC1=NC=NC(=C1)NC(C)=C(C#N)C(=O)O,FVLBVWZJQHEKIQ-UHFFFAOYSA-N
-69416E6569B8775F_914F1C9D9EC7AF1C_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)NC3C(C)COC4=C3C=CC=C4,ZOQHYMSKTNVIAW-UHFFFAOYSA-N
-69BF298AED615EBA_E8F194D4227CB514_6038_UN,CC(C)NC([C@H]3CC[C@@H](C[N]1C=NC2=C(N)N=CN=C12)O3)=O,BIBYXTANRJJWIH-VHSXEESVSA-N
-6AA2AAD26DDEDB16_E08C434F0B867816_7017_UN,CCC[N]1C(=NC2=C1C=CC(=C2)[S](=O)(=O)N3CCN(CC([B-](F)(F)F)=C)CC3)S,ZOLFXUMRVSMVND-UHFFFAOYSA-N
-6AA3A46C3341A751_D12A1C4F2E4FA055_6038_UN,CCON(CC)C(=O)CNC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,WGSDSCJWJNSDAR-UHFFFAOYSA-N
-6ADECED73882F003_A15E685E5A42D892_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)Br)Br,YHISNNSPZDAORY-UHFFFAOYSA-N
-6DC07044A2229918_85B4576D311F1C72_6039_UN,O(CC1(CC(F)(F)C1)C2=CC=CC=C2)CC([S](F)(=O)=O)=C,GDGYAJMSJXXTLJ-UHFFFAOYSA-N
-6DC2EF63FCA6C9B6_92329FA47706D0E7_6028_UN,N(C2=C(C=C1OCOC1=C2)[N](=O)=O)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CCCCC5)(=O)=O,UIOPXCCFVICYEV-UHFFFAOYSA-N
-6F4B2964DA3D9CF8_1106E6B9447B77FE_6038_UN,CC1=CC(=C(C)[N]1C2CC2)CNC(C(CN(C)C)=C)=O,GMRNTERQXCVIQG-UHFFFAOYSA-N
-722F8F18C1BFD74D_5D7E89BC79EA06A0_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2=C(CCCC2(C)C)C#N)C3=CC=C(C=C3)F,OQGSXOCKOHNGKO-UHFFFAOYSA-N
-724F410F1B30E3B1_31F426049C208745_6035_UN,O(C1(C[N](=O)=O)COC1)C2=N[NH]C(=N2)C3=NC=C(C=C3)Br,NLBIDIFDZOORTH-UHFFFAOYSA-N
-7278160987F7C91D_6D2B46CAA122A828_6038_UN,CN3C(=O)C(=C(NC(=O)C1=CC(=NC=C1)[N]2C=CC(=N2)[N](=O)=O)C34CCCC4)C(=O)N,BITUWLLIFZEKMW-UHFFFAOYSA-N
-738CC59F84E1DC49_70E4952A13A57203_6038_UN,N(CC1=NNC(=O)N1)C(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N,CGJQPEYUHFPHMV-UHFFFAOYSA-N
-73DBF3D0357F4E20_6BFD51672B29763A_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)[C@@H]3CC[C@@H](N)CC3,JPUIPJKDKNIULO-WKILWMFISA-N
-73FBE0C874902C25_99C9E9E4891D60D0_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC(C3=C(SC)C=CC=C3)C,NQICQNTXULIJTD-UHFFFAOYSA-N
-75816D76FBC04DEE_5C4B45BDD03C422D_2875_UN,CCC3(C[N]1N=NC(=C1)CCC(C2=CC=C(C)C=C2)=O)COC3,MNFZXNJSNCHXFP-UHFFFAOYSA-N
-76C742884BBF6594_7DA4D4E2E2B79D7A_6039_UN,OC(=O)C1=CC(=CS1)OCC(NC(NCCCC)=O)=O,KQEGZCIMVYOQJP-UHFFFAOYSA-N
-770599B99A116FDE_EB4DD75378FBCAB1_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(CBr)C=CC=C3)(=O)=O,VCLSFNQFVQGFPW-IRXDYDNUSA-N
-7861A7C2B12B91DF_437B5CEA884C54B0_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C[N]5N=CC(=C5N=C6)C7CC7)(=O)=O,FSUJMGVMVPMCCY-UHFFFAOYSA-N
-79FCA6BC61CF7A5E_A60FF0050C7B7287_6038_UN,CCCC(NC(CON=C(C)C1=CC2=C(C=C1)OCO2)=O)C3=NN=N[NH]3,GMOGTCSKLMPTAB-UHFFFAOYSA-N
-7C2AFB1E7A1D4BE1_ECA422812B0BAE4C_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,FOJLYTCKYZWTPZ-UHFFFAOYSA-N
-7C6214190E226437_8FB4E2782A748184_6039_UN,CC(OCC1=C(C(OCC)=O)CNC(N1)=O)CCCN(C)C,KNUGJBUDUAEFKZ-UHFFFAOYSA-N
-7C91758B0B7F0350_F20AE40B735BBFF2_6041_UN,CN3C(=O)NC1=C([NH]C(=N1)NC(CC(C)C)C2=CC(=CC=C2)C#N)C3=O,TWNXPZCPZMHIRP-UHFFFAOYSA-N
-83779BFE762A9D7D_C9413112AA020281_6035_UN,O(C(C(=C)C#N)C1=CC=C(C=C1)[N](=O)=O)C2=C(N=C(C=C2)Cl)Br,OWTGFFXDRJGCFU-UHFFFAOYSA-N
-83D2A1880D55C081_525B3CB021F27578_6038_DP,CC(C)C1=N[NH]C(=C1)COC(C3=NOC2(CNC2)C3)=O,HPMARYORFFRMPQ-UHFFFAOYSA-N
-85CF88C7F773736A_32191760A6DDC708_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3C4=CC(N(C)C=C4)=O,BVYZDMOIYAVOQP-UHFFFAOYSA-N
-864C55E2B5D2CAA1_57BC994E87F18C99_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,PPJIVFFNVWGJEK-UHFFFAOYSA-N
-8858CE18FAB0CD3F_CBBEAB246ED1EF14_6038_UN,CC3=C(NC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)C=N[N]3C[Si](C)(C)C,QJVUQIUXOMSZJD-NEPJUHHUSA-N
-88756DEF27BD7A81_D40A30592FC5F2FF_6038_UN,N(C1=C(C=NC=C1)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,HXMUADCSTCFGFK-UHFFFAOYSA-N
-88C28FC53E54038C_1D7360044056A76B_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3C4=CC(N(C)C=C4)=O,ATUJXPPRCHGZSA-UHFFFAOYSA-N
-893C037CBE6C0C63_13A0CFDFCA2CFF7A_6038_DP,N1CC(=C(C1)C#N)NC(=O)C2=CC(=NC=C2)[N]3C=CC(=N3)[N](=O)=O,OJJOZLOBHIIZLP-UHFFFAOYSA-N
-8A86D87D7B58FDF1_6BF3D002BFFEC23D_6035_UN,O(C(C(=C)C#N)C1=CC=C(C=C1)[N](=O)=O)C2=C(N=C(C=C2)I)Br,FZWPICWGAWLOBC-UHFFFAOYSA-N
-8B4155CA3DD57B0C_E0262F30CEE4C4A8_6039_UN,O(CCC1CC1(Cl)Cl)CC2=CC=C(O[S](F)(=O)=O)C=C2,XDDWOXHLNPBCFG-UHFFFAOYSA-N
-8B533322E4205B7D_A0BAA7EA22C94335_6031_UN,NC1=NN=C(C=C1)C(=O)OCCCNC(=C2N=CC=CC2=O)O,GMTUWDHNROYJHF-UHFFFAOYSA-N
-8CC7FC1B9DFAC81C_0E7202E57F6AA1CB_6035_UN,O(CC[S](=O)(=O)O)C2=CC=C(B1OC(CN(C)CC(O1)=O)=O)C=C2,YGFORTHTRJSNNE-UHFFFAOYSA-N
-8D17D0890ACE94DC_E0FCF592C82BE482_6035_UN,O(C1CCC2=C(C=C(C=C12)Cl)Cl)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,LPEPKHGNMYYULH-UHFFFAOYSA-N
-8D30AD07D8664BAF_8E5B88CECFE1FD71_6038_UN,N(C1CCCOC2=C1C=CC=C2)C(=O)CCCC3=C[NH]N=N3,XFSSSPGPAUZPBB-UHFFFAOYSA-N
-8DD3CAACDBA9BAED_6E1EBCD2D0712E3E_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,RNYVVYARRQMEMJ-UHFFFAOYSA-N
-8EA77A6DB5CB4C54_2BAB05A1FBA988A9_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,VNINBUYZDNYORS-UHFFFAOYSA-N
-8EFD87546774644B_F4859858976265B7_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NC3C(C(N(C)C)C3)(C)C,ZAZNLQPKACPHEA-UHFFFAOYSA-N
-8F71035F4D7E9597_0E4CB2DCA3222ECA_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)Cl)F,ICEIMEQKABVCRG-UHFFFAOYSA-N
-8F7E76685087DE84_E3CF0C7377729148_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C3=C(CCl)C=C2OCOC2=C3)(=O)=O,NMIJUUTUCBJRGK-UHFFFAOYSA-N
-91BA0E1664F824BE_CA975F081F34F1CE_6031_UN,O(C(=O)CC1=C(C(=CC=C1F)F)Br)CC2=CC=C(C=C2)[S](=O)(=O)O,LVXXAOPCBQKPMN-UHFFFAOYSA-N
-93C4408B5A2EB1AA_010C34BE3D308CE9_6029_UN,CC(C)C(=O)N2CC(F)(CN[S](C1=NC=C(B(O)O)C=C1)(=O)=O)C2,SAZDRSSQDDJTAH-UHFFFAOYSA-N
-9429048195EEF1BB_9B778C38ECEB2459_6041_UN,O=[N](=O)C1=NC=C(C=C1)NC2=C(CC(C)(C)CC2)C#N,XWKGURSAAPECRL-UHFFFAOYSA-N
-958E20832A4BDFCA_CFBCF29211C334F5_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CC=C([P](C)(=O)C)C=C3)(=O)=O,AVZVXLVFMQHQNX-UHFFFAOYSA-N
-963B3B4306D57F12_CD487B5EADBE5126_6034_DP,NC3=NN=C(NC1COC2=C1C=CC=C2)[N]3CC(C(OC)=O)N,WLESONVZQAUWEO-UHFFFAOYSA-N
-969AD479F7329F1E_315F90E26E9B0D6B_6041_DP,C1(=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)NC4(CNC4)CC(=O)O,LDBCEOXJYNHNHD-UHFFFAOYSA-N
-970997515CC5B540_96455AD7DADD6254_6038_UN,CC(C)N(C)C[C@@H](C)NC(C=C[P](OCC)(=O)CC)=O,DCWTXVNBBGDHNU-CRIUFTBBSA-N
-980073627BC89AEC_DC5916893AD90E88_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)N(C)C,GKEGNYLNQQKJTG-CYBMUJFWSA-N
-996790B477C70E65_AD98808DFB66616D_2875_UN,CCC3(C[N]1N=NC(=C1)C2=CN=CC(=C2)C(N)=O)COC3,YVXWGLIWZNOIBJ-UHFFFAOYSA-N
-9A31371406C66543_328F43AAD1D3B206_6029_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,BSXKMEZMBTUXTM-UHFFFAOYSA-N
-9B6216FA22B9531A_4160AD5A40A0A27B_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2CC2)[N]3CC=C)(=O)=O,WIAKZGNIFKCSDW-UHFFFAOYSA-N
-9DCB0337E5E59225_957DAA4F59FAFDBC_6038_DP,CN(C)C2=NC=C(CNC(C1C[Si](CN1)(C)C)=O)[N]2C,GMGDFUJQUDHKPU-UHFFFAOYSA-N
-9E5EA45604EE6A7E_D3F00F79978AF6A1_6003_UN,CCC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)CC2=CC3=C(C=C2)OCO3,BKTSDDDVHAWAQM-UHFFFAOYSA-N
-9F57F74440BDE5A0_BDB30B8F5EC4C2E7_2267_UN,COC(=O)CC(=O)CCC#CC1=CC=C([S](F)(=O)=O)S1,FSQWBIGIBWYNQY-UHFFFAOYSA-N
-A1AEE183DA7E76BB_195BD7422AEF6A6C_6035_UN,CCCCC(OC1=C(C=CC(=C1)[S](=O)(=O)Cl)Br)(CCl)C#C,FERGRTJDSJPOGC-UHFFFAOYSA-N
-A1E51253BF19F8E9_537F91C3F56BD81E_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N3C(SC=C3C4=CC=C(F)C=C4)=C5N=NC=N5,AJASKHBASTUXGP-UHFFFAOYSA-N
-A572046D3AA8A8DA_E57EB3BA9A1D005F_6035_UN,O([C@@H]1CO[C@H]1C2=CC=CC=C2)C3=CC(=C(OC)C=C3)I,QBUFGHGLBNAVHG-CVEARBPZSA-N
-A66835852D6AF3CB_1F3E630BB18586A3_6031_DP,NC1=NC=C(N=C1)C(=O)OCCCNC(=C2N=CC=CC2=O)O,YMNRDYMRUUNATL-UHFFFAOYSA-N
-A6B50D964205BA75_01A69C1E3E1BFEAF_6028_UN,N(C2=C(C=C1OCCCOC1=C2)[N](=O)=O)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,BJXQMGUNVTVANT-UHFFFAOYSA-N
-A6BB4F3029CD8DBB_C68DC088EC1DAE89_2875_UN,O[C@@H]1CCC[C@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,YVCWMNARIIYYSO-NVXWUHKLSA-N
-A8749C51FDD891DF_730515607932527A_6038_UN,CN1C2=C(OC1=O)C(=CC=C2)NC(C(CC)SC3=NC(=N[NH]3)N)=O,XKTDSNCYWSJCLF-UHFFFAOYSA-N
-A8E91CBC2DC42C01_A105962B9EF9CB38_6039_UN,COC1=CC(=C(C=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,XKQPFZZKKNDLEX-UHFFFAOYSA-N
-AA9795A34C11FF2F_1960C0D5D9CBDC6F_6039_UN,CCC(OCC1=CC=C(O[S](F)(=O)=O)C=C1)C(C)C(=O)O,VTCAEHSAPYRHCM-UHFFFAOYSA-N
-AB0C29BB96CDF8FE_31F60D7A0BE6CECB_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC3(C)CSC3,FUFZVUMHMILBMR-UHFFFAOYSA-N
-AB5DA904D8E6C469_631E6C4DEC8A97A4_6035_UN,O(C(C(=C)C#N)C1=CC=C(C=C1)[N](=O)=O)C2=C(N=C(C=C2)Cl)I,FDODKAQXLPMPSH-UHFFFAOYSA-N
-AC89FDBBC3FD721E_E16329C31699E9D3_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(SC)S5)(=O)=O,ASOLAUGPUJLTGM-UHFFFAOYSA-N
-AD9CB5AD9AF9C026_4A2791AE3E97A052_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,LZEZSFZATAOXFV-OAHLLOKOSA-N
-B096F70F45A7D647_EDECA1660C6B6DDA_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC3=CC=C([Si](C)(C)C)C=C3,BMOCJPRUAHVKDQ-UHFFFAOYSA-N
-B0BFF0A5D1C2A562_DD4A3589FD47A934_2875_UN,N[S](=O)(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)CC3=CC=C(CO)C=C3,AQGNLAPYNZBKPX-UHFFFAOYSA-N
-B20BB3DAD88ECFFC_3C6496C0E5FFA09D_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,DWSMZBSQQHUACR-WCBMZHEXSA-N
-B324D7720C592F18_47532AEA1BD8F207_6029_UN,CC(C)(C)C(N[S](C1=NC=C(B(O)O)C=C1)(=O)=O)C2=NOC(=N2)O,MKOQPEKAEVGCHN-UHFFFAOYSA-N
-B445044477E693E7_33B8C5682648E2D7_6031_UN,O(C(=O)CC1=C(C(=CC=C1F)Br)F)CC2=CC=C(C=C2)[S](=O)(=O)O,MRMDSBHDBPIOEV-UHFFFAOYSA-N
-B5FCB838FF95327A_278C455B134B0C8C_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=NOC(=C1)C(OCC)=O)(=O)=O,XYMWRLJTCDWZTF-UHFFFAOYSA-N
-B62924840AF4943D_E5412A2E574AC699_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)CCC2=CC=C(CO)C=C2)N,OHEPMDWBMXGWEL-INIZCTEOSA-N
-B7221958225E633F_A9698A51A78EB4E7_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3(CC(C)(C)C)CC3,VYYYZAAMRWVNFW-UHFFFAOYSA-N
-B963B8F87DA1C8B5_63A4C2C702EC5520_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC(C)C2=CCN(C)CC2,VULDEZKKVUITIJ-UHFFFAOYSA-N
-B98A7EF713B0F361_2028D96EADE40E1D_6038_UN,OB(O)C1=CC(=C(C=C1)OC(C(C)[N]2N=C(C)C(=C2C)[N](=O)=O)=O)C#N,SSMQZCGZEDKCKG-UHFFFAOYSA-N
-B9F2321BB912E29C_6AD822B0F0019751_6038_UN,O(C(CF)C1=CC(=CC=C1)C#N)C(C(C(CC)C)C)=O,ZORYICQLXPEEGD-UHFFFAOYSA-N
-BA99538833A1DA20_30195C181E47524B_6041_UN,OC(=O)C1CC(=NO1)C2=CC=C(S2)NCC(N(CC)OC)=O,MLUXBIQEDUMZGR-UHFFFAOYSA-N
-BBFC6E20612770BC_D065DFAF68434A44_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC=C(C(=C2)C#N)OC3CC3)(=O)=O,FTFDIEUQNVEDNG-UHFFFAOYSA-N
-BC2F747C62730F4D_0D1AFD908034ED48_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC(C)C2CCN(C)CC2,HRSMSTNSDZYTDZ-UHFFFAOYSA-N
-BC6080C97C48C314_0C2B0F5B4556CB76_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(Cl)C=CC=C3Cl)(=O)=O,MFLQFLKWLBJDKW-VHSXEESVSA-N
-BD29CAA5A3EADD8C_674074C3D9A20EE8_6041_UN,O=[N](=O)C1=C(C=C(C(=C1)C#N)F)NC2(CC2)C3=NN=N[NH]3,KIQSQPAOLAFUKL-UHFFFAOYSA-N
-BDEE13B385F84D41_BE6DE225CA8DCC64_6029_UN,CC1(C(OB(O1)C2CN(C2)[S](C3=NN=C([N](=O)=O)[NH]3)(=O)=O)(C)C)C,XMICIYXVWIQFIZ-UHFFFAOYSA-N
-BEDB2E8005AC69BB_5D6FC4303A6476C2_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Cl)C#N)Br,KORNGQSZVHVBJH-UHFFFAOYSA-N
-BF7AE9C146030992_E0C8187A6B21F9FD_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC(N4CCN(C)CC4)=O,RCRQCQSYWWGYLB-UHFFFAOYSA-N
-C047ECBC66EC36A4_451F0DDB119E80FD_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C3=NC(=N[N]3C4=CC=CC=C4)C5CC5)(=O)=O,FPZMBMVGTIGIPJ-UHFFFAOYSA-N
-C04E33E6423A4685_D318A8729510B465_6041_UN,CC1=CC=C(C=C1)[S](=O)(=O)OC3=C2C=C(C=C(C2=NC=N3)F)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,SRYBWRJFGYEISO-UHFFFAOYSA-N
-C0B6CDAC3C3DCED4_470792986F5E42E2_6041_UN,CSC(C)C(=O)N1CCCCC1C2=NC(=C[NH]2)NCC[Si](C)(C)C,WQHLPNYUBQLVDI-UHFFFAOYSA-N
-C110E441367C6CA4_8789DF1C4902D060_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O,HLLLOHWTYLOVJG-UHFFFAOYSA-N
-C12EAEA171EB938F_8FAFFD1DACA70633_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC3(CC[Si](C)(C)CC3)C4=CC=CC=C4,SFUKXODIYSBZEZ-UHFFFAOYSA-N
-C22B9F62646DA93F_C9C7EDCC497EE69D_6041_UN,O=[N](=O)C1=C(N=C[NH]1)NC2CC(C)(C)OC3=C2C=CC=C3,UDBDIZQQDPKKNZ-UHFFFAOYSA-N
-C2D0FD7701698C41_1A28D5496FD54E94_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C3=CN=CC(=C3)C(C)=O)=O,CJFJAGSEZXHGCQ-UHFFFAOYSA-N
-C40D98A0BC6707ED_522FFD26F67B9F6C_6034_UN,NC1=N[NH]C2=C1C(N(C=N2)CCCC#C[Si](C)(C)C)=O,MJKDNAKRQPQYHX-UHFFFAOYSA-N
-C55DAE159F79127C_63F1C098CD700255_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@H]3[C@@H](C3)C4=C(C=C(C=C4)F)F,KZHBVRWKTYWVDF-PZJWPPBQSA-N
-C5FC79D910DCB38B_89ED7258DB1F1EA1_6038_UN,O([C@H]1C[C@@H](C1)C2=C(C=CC=C2)F)C(C3=C(SC)C=CS3)=O,UZJSEDBVTUCRNH-XYPYZODXSA-N
-C615B6FACC1DEB4B_F1C540292053057E_6035_UN,O(C(C(=C)C#N)C1=CC=CC=C1)C2=C(C=C(C=C2)[N](=O)=O)[S](=O)(=O)Cl,IGVPZPDTZSAELZ-UHFFFAOYSA-N
-C805CF5A45B1A5F8_238299E6BA64A2C7_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3CC(N)CC3,MRYIIBJKMSMIDA-UHFFFAOYSA-N
-C9E26994AE1F77E0_FDB9183B869ED2E5_6038_DP,N(CC1=NC(=N[NH]1)C2CC2)C(C(NN)C3=CC=CC=C3)=O,HDNCCFMRMINJJX-UHFFFAOYSA-N
-CBC4FCC8621AA904_1D9C5ED533941CFE_6041_DP,N1CCN(CC1(C)C)C2=NC(=CN=C2)NCCC3=CC=C([Si](C)(C)C)C=C3,GPJIZFNUQJTMRM-UHFFFAOYSA-N
-CF01A7AEC7CF0D2F_A5CA30EF72820BCA_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CN=C(C#C[Si](C)(C)C)C=C3)(=O)=O,QFVQKAFFQOXMIM-UHFFFAOYSA-N
-CF219BA3D3970EDE_538DEABBDBA864AA_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3CC4(CCN(C)C4=O)C,ZGYDBLNIIXLAOA-UHFFFAOYSA-N
-CF9CD7671BF6AEA6_398AC5C4D9729A52_6029_UN,N(C[C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=C(C=C(F)C=C3Cl)Cl)(=O)=O,IAUDHKIAUXLYKC-QPUJVOFHSA-N
-D0724777D4DE8036_AFE2E1A772B5CB09_6035_UN,O([C@@H]1CO[C@H]1C2=CC=CC=C2)C3=CC(=C(OC)C=C3)Br,YUPMOLCLUIWOCT-CVEARBPZSA-N
-D09E11FD5752F015_E659C3B4B95480B5_6035_UN,COCC(OC1=NN=C(CCC)O1)C[N]2C=CN=C2[N](=O)=O,XOSOFDRIMMYPCG-UHFFFAOYSA-N
-D1093FD304E0FF23_6AC0A68390715C02_6034_UN,NC1=NN=C(N1CC#C[Si](C)(C)C)C2=CC=C(C=C2)F,CJUNNBUYMXTTCB-UHFFFAOYSA-N
-D113263590CC193B_DD5C05BAEE4F13F5_2875_UN,O[C@H]1CCC[C@@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,YVCWMNARIIYYSO-RDJZCZTQSA-N
-D3176F60DEBF6E57_1DC4FB4E91DBB631_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NCC3OC4=C(C(C3)=O)C=CC=C4,HPUGIVMFJKIIEI-UHFFFAOYSA-N
-D32D8480D68E1E9A_BBF74A74B7BA4CDE_6038_UN,N(C1C2=C(OCC1)C(=CC=C2)C3=CC=CC=C3)C(=O)C4CCN(C4)C(=O)C5=NN=N[NH]5,PXKUTYCHLBVYIE-UHFFFAOYSA-N
-D51C9F368FF20829_9513AE633B489883_6029_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C3=C(Cl)N=C(C=N3)N4CCOCC4)(=O)=O,QISALNITNSMPOT-UHFFFAOYSA-N
-D7C2624D64A8C52A_BDF0CD2E206EE54C_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C(C5(O)CCCCC5)C=CC=N6)(=O)=O,GKEMMIZXIOCKEF-UHFFFAOYSA-N
-DA5CF92C6CD3666D_FE99DA274D42A26F_6028_UN,N(C[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,PZVCSXXVUAVFRO-AAEUAGOBSA-N
-DC5C6EDEB6C02267_654F49913EC6C3D1_2875_UN,C[C@H]1[C@H](CNC1)[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,JCDQWARAWCMKRT-CJNGLKHVSA-N
-DC9670477FE31B28_042EA47A34377E16_6038_UN,C[Si](C)(C)C[N]3C=C(NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)C=N3,YTBUGFVZUHONDO-UHFFFAOYSA-N
-DD700298A4A5C082_E9D6EB6869B49CFA_6028_UN,N(C[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,OXNCAWRVJNYYTL-AAEUAGOBSA-N
-DFC91E06A738AE98_9C39D20EE3C14CC6_6028_UN,N(C[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,QIYVBZZARACUFM-AAEUAGOBSA-N
-E1D45D15E4A4401D_7656904F0E9BDE72_6039_UN,NC(=O)C3(COCC(NC2=C([N](=O)=O)C=C1OCOC1=C2)=O)CC3,AVJVHQUQAOKZCO-UHFFFAOYSA-N
-E201855E96610CBE_81EF217A1319500A_6031_UN,O(C(=O)CNC(=O)NCC1=CC=C(C=C1)[N](=O)=O)CC3=C(N(C)C2=NN=N[N]2C3)C,XUPJGSGZFQRWMR-UHFFFAOYSA-N
-E27D0B9081EAB872_F8B535F5434312BB_6026_UN,O=[N](=O)C2=C(C=C1OCCCOC1=C2)[S](=O)(=O)N3CCC3C4=CC(=C(F)C=C4)F,YVQPPRBKPJIZQE-UHFFFAOYSA-N
-E2E87D3C05C4CF2F_5A7055DAC7CBB680_6029_DP,OC1CC(C1)CN[S](C2=CC=C(CC(F)(F)F)C=C2)(=O)=O,NXZSDZYIAKCQIV-UHFFFAOYSA-N
-E390EECC2A5B140B_9153D9174B15133C_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)Cl)Cl,DOZIONWOYVUBAJ-UHFFFAOYSA-N
-E56C994896C118A3_A6B92A2B7C94241E_6038_DP,N(CCC1=NN=C([NH]1)C2=CC=CO2)C([C@H]3CSCN3)=O,VMYGPPLQSAWDAB-MRVPVSSYSA-N
-E6067D513364FB35_7363FF225059C18B_6038_DP,CO[C@H](C)[C@H](NC(C(NN)C1=CC=CC=C1)=O)C(=O)OC,CKFXPZZXVJTEMR-BVAQLPTGSA-N
-E76925F1C179E48C_7B7714BB93D33D25_6038_UN,N(CC1=CC=C(C#N)S1)C(C(CC)SC2=NC(=N[NH]2)N)=O,CTDGYZSYRRBIFK-UHFFFAOYSA-N
-E7E68357056F73AB_A2244B78D82419E1_6028_UN,N(C[C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,JDUNTAGYJNWLDJ-VHSXEESVSA-N
-E8BBD526C83F69CE_64D30D718E3268ED_6029_UN,N(C(CB(O)O)C(=O)O)[S](C2=NN=C(C1(C)CC1)[NH]2)(=O)=O,LDRRITQCQQNWGO-UHFFFAOYSA-N
-E97B6819B5E392E7_A1D19A530B11C284_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3(C[S](C)(=O)=O)CCC3,QLFXTHVPEKJWOS-UHFFFAOYSA-N
-EA718D332B41DB11_247C7A636C0AA956_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=C2)C(=O)C3=CC(=C(N=C3)Br)Cl,HEMSLKZWIXMRSS-UHFFFAOYSA-N
-EB5619E8FE959E1B_3BF738AFDDAF4B57_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)C[C@H](C3=N[NH]C(=N3)C)N,CSKKXENKEBOKHS-MRXNPFEDSA-N
-EC1C05093E37DEEE_04B5326AF02FE623_6041_UN,CC1=C(C=NC(=C1)NC2(CCOC3=C2C=CC=C3)C(=O)O)[S](=O)(=O)F,ZFXUYNIGWQQSLS-UHFFFAOYSA-N
-EEF9392E1CF68736_679E7B0DA28E7AF4_6026_UN,O=[N](=O)C1=C(C=CS1)[S](=O)(=O)NC3(C2=NOC(=N2)CN(C)C)CCCCCC3,BTXQDDCNSVDQKC-UHFFFAOYSA-N
-EF26876E69886CFB_BABE7190E8B2D118_6038_UN,N(CCCC1=NC(=O)NN1)C(C2(C(N(C(C)C)C)=O)CC2)=O,LTEAMWSIXXKSON-UHFFFAOYSA-N
-F18B0FCA2DD7B206_EC1B9C141F20221F_6038_UN,N(CC1=NNC(=O)N1)C(C2=CC(=NO2)C3(C)COC3)=O,LBRRMLKFMWYILK-UHFFFAOYSA-N
-F2F0FC273FD13D21_6D512C2D0900C75B_6029_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C3=NSC(=N3)C4CC4)(=O)=O,RVTNJWLULGEVHY-UHFFFAOYSA-N
-F579D80FC31A7724_E388865CBF3C4BAD_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=CC(=C(C=C3[N](=O)=O)[S](=O)(=O)Cl)C,QQOPVIIFIYEHNQ-UHFFFAOYSA-N
-F63C285F287D7C11_F1CD8F5753A67CC4_6038_DP,NC1=NC=C(C=C1)NC([C@H]4CC[C@@H](C[N]2C=NC3=C(N)N=CN=C23)O4)=O,IUUKEAFEAOZBEM-WDEREUQCSA-N
-F8D09471582206EC_30D1D1A4CD4FE979_6038_DP,N(CCC1=C[NH]C2=C1C=C(C=N2)F)C(C3C[Si](CN3)(C)C)=O,FLWOEDGWFGIMQI-UHFFFAOYSA-N
-F9B71E7ED5D12CB6_0BCC547FA47E6125_6038_UN,C[N]2C=C(CC(NC(C1=C(NC(OC)=O)SN=C1C)=O)C(=O)N)N=N2,JINXHZHPQNAMFY-UHFFFAOYSA-N
-F9EC81B6E149F89B_B2240CD97A611D55_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(CN(C(OCC)=O)C)=O,UWRBRQDZIHJHNA-UHFFFAOYSA-N
-FB28BA0C81F6CDA6_8B7AC1DF823F8532_6038_UN,CN(C)C1=NC(=CC(=N1)C)CNC(C3OC2=C(C=C(C)C=C2)CC3)=O,FHGWAEHSNXZHHE-UHFFFAOYSA-N
-FCB1260EBCF256F9_FDD8B5FF40E1BEA4_6038_UN,CN(C)C1=NC(=C(C=N1)NC(C#CC2(C)COC2)=O)N,ZETXNUBDQZDCNF-UHFFFAOYSA-N
-FDB8452EACA74741_9B36ACF6213E61C4_6029_DP,ON(C2=C1C=CC=C(C1=NC2=O)C(F)(F)F)[S](C4=CN=C(N3CCCNCC3)C=N4)(=O)=O,VBJLLFPXZAWYCE-UHFFFAOYSA-N
-FDF056278930342B_3AFA11D5047CC956_6026_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)[S](=O)(=O)N4CCC(CC3(C(F)(F)F)N=N3)CC4,WIZLIKFIVNRQGF-UHFFFAOYSA-N
-FF61A4113A86A260_F3B6CA2958053DB6_6038_UN,CC[C@H](C)[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,XZZHPCPWFYDFBP-YUMQZZPRSA-N
-rxn:1:40711:24405,C[C@H](O)[C@@H](C(=O)O)N1CC(c2cn(CC=Cc3ccc4c(c3)NC(=O)C4)nn2)CC1=O,KXCQEOZRNNLYEI-CHHXXQPCSA-N
-rxn:1:41017:701,O=C(Cn1cc(CN2C(=O)COc3cc(F)c(N4C(=O)C5=C(CCCC5)C4=O)cc32)nn1)Nc1ccc(Cl)cc1,SWSHMJRMQCNQEF-UHFFFAOYSA-N
-rxn:1:49141:27467,O=C1Nc2cccc(C(O)C(O)CCn3cc(C4CC(=O)N(c5ncc(B(O)O)cn5)C4)nn3)c2C1=O,HTQVSKWFSMRXJO-UHFFFAOYSA-N
-rxn:1:49398:24575,CN(C)C(CN1CC(c2cn(CC3CC(C)(C)C(=O)O3)nn2)CC1=O)c1ccccc1,PLRMZDYTIOZCHE-UHFFFAOYSA-N
-rxn:1:49398:24603,Cc1ccc(C(CN2CC(c3cn(CC4CC(C)(C)C(=O)O4)nn3)CC2=O)N(C)C)cc1,KISKIOMXIZXRIQ-UHFFFAOYSA-N
-rxn:1:49398:4073,CC(C)C1Nc2cc3c(cc2N(Cc2cn(CC4CC(C)(C)C(=O)O4)nn2)C1=O)OCO3,PQKSCNAKDXDUOD-UHFFFAOYSA-N
-rxn:1:51155:11778,CC(=O)N1CCC(c2cn(CC3C(c4cccc(C(=O)N(C)C)c4)C3(F)F)nn2)CC1,DMMDDNGRPYXTCZ-UHFFFAOYSA-N
-rxn:1:54228:3355,CC(=O)c1ccc(C2C(CCn3cc(C4CCCN(C(=O)N(C)C)C4)nn3)C2(F)F)nc1,YUMRQMNSPMXGBK-UHFFFAOYSA-N
-rxn:1:59764:33670,CC1(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(C(=O)c4cc5ccccc5s4)CC3)nn2)COC(=O)OC1,GLMUYUIRWQKWNE-UHFFFAOYSA-N
-rxn:1:59808:37728,COc1ccc(C(=O)N2CCC(n3cc(Cn4ncc5ccc(N6C(=O)C7=C(CCCC7)C6=O)cc54)nn3)CC2)cc1,KKKJKCREQQPVBO-UHFFFAOYSA-N
-rxn:1:60318:33670,CC1(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(C(=O)c4nccc5ccccc45)CC3)nn2)COC(=O)OC1,KLXIPBWTHQQSDO-UHFFFAOYSA-N
-rxn:1:61867:9422,CC(C)(Cn1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)nn1)C(=O)N1CCOCC1,DCQZXYHGAFJUCH-UHFFFAOYSA-N
-rxn:1:62757:24809,C[C@@H](c1ccccn1)N1CC(Cn2cc(C3CC(=O)N(CC(C)(C)O)C3)nn2)CC1=O,MJUUMUCPNSOCMW-GTPINHCMSA-N
-rxn:1:63040:2470,CCc1ccnc(N2CC(Cn3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4OC)nn3)CC2=O)c1,GPMXCAUXWUTVJV-UHFFFAOYSA-N
-rxn:1:63143:14726,COC(=O)c1ccc(N2CC(Cn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)nn3)CC2=O)cc1,ZSSLUYWVZNWVLH-UHFFFAOYSA-N
-rxn:1:63144:14726,COC(=O)c1ccc(N2CC(Cn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)nn3)CC2=O)nc1,XSLGYEBMLPAMQM-UHFFFAOYSA-N
-rxn:1:63192:12604,COC(=O)c1cncc(N2CC(Cn3cc(-c4cccc(C(=O)N5CCN(c6ncc(Br)cc6C)CC5)c4)nn3)CC2=O)c1,GLRSWKNUGKJOQM-UHFFFAOYSA-N
-rxn:1:64186:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(Cc4ccnc5[nH]ccc45)C3)nn2)OC1=O,CMWKFSSHJTYDTD-UHFFFAOYSA-N
-rxn:1:65143:29711,O=C(O)c1cc(Cl)nc(N2CC(Cn3cc(-c4ccc(C(=O)N5CCC(CO)CC5)cc4)nn3)CC2=O)c1,AERHULSRRQOPHN-UHFFFAOYSA-N
-rxn:1:65370:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4cccnc4O)C3)nn2)OC1=O,JDOMZSJZBAZZNG-UHFFFAOYSA-N
-03C454F1F39ECC31_8C33694A3FB2086E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C4=C(OCC3)C=CC=C4,SWZJLBODGDTMLD-INIZCTEOSA-N
-0635D56C552615C2_8564B5294622E4B4_6041_UN,OC(=O)C=CC1=C(SC=C1)NC2=CC(=CC=C2)CN3CCOC3=O,OKTHZSDDSCYCFU-UHFFFAOYSA-N
-0877ACC68124341C_613A8F76341B8CEE_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(NC(C)C(=O)O)=O)C=C2,VGBBDQJHQVKCTG-UHFFFAOYSA-N
-08F44668270D6CEF_052BBC1ABDACD848_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=CN=C(C)C=C3)(=O)=O,GWJDJCCXBHMZEB-IRXDYDNUSA-N
-0AC56C7DCE86EF04_12985836196C7AC7_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4=CC(=CC=C4)Cl)(=O)=O,XODJTSYGXVUNHO-UHFFFAOYSA-N
-0C81F65EAD4460E0_D4025AA4DA3C5B03_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=CC(=C3[NH]N=NC3=C4)C)=O,ISLROWWWVCWFCD-UHFFFAOYSA-N
-0CB9F13708457E96_036B2F4E10316939_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OC)OC(F)F,PUTGJIYLXXCVCX-UHFFFAOYSA-N
-0DA1301B2A5FAD69_0A6E8F2AB7930A4A_6041_UN,C1(=NC(=CC=C1)C2=NC=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,UMODKOVSAIRWCU-UHFFFAOYSA-N
-0E85938CAF532811_D7F55F4E95686541_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H](C(C)C)C(=O)OCC#C)N(C)C,ODQWMSUZFHGSPQ-LBPRGKRZSA-N
-0EAF4688BA4188C4_39E1CC75D98907C6_6041_UN,SC2=NN=C(C1=NC=CC=C1)[N]2C3=CC=C(C=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,KFJRLAXOJFFYPH-UHFFFAOYSA-N
-0F00E050F0AF86A0_BB38332AF8622956_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3C5=C(OC4(C3)CCC4)C=CC(=C5)F,UTXJCJYCSCLZID-GOSISDBHSA-N
-120A4A49EE4DEC43_A7E15269FD2F1BBF_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=C(C=C2)Br)NC3=C(CCC3)C#N,VGJVWDMMXXFYSE-UHFFFAOYSA-N
-1475BFDEC7FDD77C_3C9C3794073295AA_6004_UN,Cl[S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)C3=CC(=CC=C3)C4(O)CCC4,YJUDCZBRPFMTQK-UHFFFAOYSA-N
-1586B84BAE11416C_FBB05CC17E7895BD_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,MAMYXEHGQHNPDR-UHFFFAOYSA-N
-166690D31E6EDFED_F4FE295CD2D26E85_6029_UN,CC(C)[N]1N=NC(=C1)C2=CCCN(CC2)[S](C3=C[N](=C(C)C=C3)=O)(=O)=O,FNUXJLBNDSLTRJ-UHFFFAOYSA-N
-17C2B45B507BB292_66277DDA61EA9DA8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4[C@H](C3=CC=C(C)C=C3)C4,JUTJPJPQJIYQRU-MAUKXSAKSA-N
-17C3DA0BC5348EF2_5B64D704B9FB1729_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4C(C3=N[NH]C(=N3)C)C4)=O,XWUPWSVCVVIFFJ-ZBCRRDGASA-N
-18088BD648FA7EA1_8676D359E2759A63_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,PDVIMXLXVJDARZ-UHFFFAOYSA-N
-183939C079A030A9_0E4D16338F7BEC97_6038_UN,N(C1C2=C(OCC1)C=CC(=C2)C3=CC=CC=C3)C(C5CCN([S](C4=C[N](C)C=C4)(=O)=O)CC5)=O,OFVRHZNOWJFEBI-UHFFFAOYSA-N
-18AF1DB6ACE7A5C0_A19FECAB9899D1D0_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C3=NN=C(CC(C)C2=CC=CC=C2)O3)(=O)=O,PQUAJQXRXFRAKD-UHFFFAOYSA-N
-1B167D2DD8FE2F11_D677411CC97E372B_6029_UN,CN1CN(CC1=O)[S](C2=C(C=C(OCC)C=C2)F)(=O)=O,VWXDFFOEADGMFB-UHFFFAOYSA-N
-1BE3F3F60D37ADA3_7A8FE277D48B30A2_6038_UN,N(C1=CN=C(C=C1)[N]2C=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,FAUXHBDLNRQPFH-UHFFFAOYSA-N
-1BF7280864718C5A_D7C9A264380239C2_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OCC)C=C2)F,CUEVJHKLQRRHSJ-UHFFFAOYSA-N
-1D028A83DEFFC62F_A5331C966AF10236_6041_UN,OC(=O)C2=C1C=CC=C(C1=NC(=C2)C3=CN=CC=C3)NCC4OC(OC4)=O,UOOHJCSVWIQQBJ-UHFFFAOYSA-N
-1D8FA495DABF22D6_1E81A57D2C4DA077_2875_UN,NCCCC[N]1N=NC(=C1)C(C2=C(F)C=C(C=C2)Br)=O,HUMKNMGWLBNHRE-UHFFFAOYSA-N
-1D9F28A94CBEF977_B76DD8415841044E_6026_UN,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(CC2)F)C3,DSGLSWMNOVZXQB-UHFFFAOYSA-N
-1E42F7F00887BBDF_4142A1BC18EF4173_6036_UN,CC3=CN1C(=NCC(C1)N([S](C2=CC=C(Cl)C=C2)(=O)=O)CC=C)C=C3,CCKNZHGTMXVLRJ-UHFFFAOYSA-N
-1FC4A0038079AD8F_2E5D5250E8F393BB_6041_UN,OC(=O)COC1=C(SC=C1)NC2=C(C=CC=C2)N3CCOC3=O,QCOVAJKLFYFSJK-UHFFFAOYSA-N
-1FF95E96BAF511AB_0BA9BE0A3843D7F0_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC2(C)CCN(CC2)C3=NC=NC(=C3)Cl,SDAMLOQQGRIFAE-UHFFFAOYSA-N
-22E46CDD041D9331_078E427802673C45_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC3C[N]2C(=NN=C2CC3)C4=C(C=CC=C4)F,JQNJBAUWFXNRRP-UHFFFAOYSA-N
-230F51468C81C1F4_173DBA0DDAFF0E2E_6041_UN,C1(=CC(=CC=C1)OC2=NC=NC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,DTUDNDFZLHNZRB-UHFFFAOYSA-N
-23C89E3DD0B3CD2B_98E04E074E1F5224_6035_UN,C[Si](C)(C)C#CC(OC2=C1N=CC=CC1=CN=C2)CC3=CC=CC=C3,PEKPYNMTAFLAKA-UHFFFAOYSA-N
-25F05A1BE7D63A5A_D74C16CEB18FA777_6026_UN,[S](=O)(=O)(C2=C1OCOC1=CC=C2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,FFBQRJKJHIVMLZ-UHFFFAOYSA-N
-262388BEBA1DDA39_886CECD8F5434F4D_6004_UN,FC1=CC=C(C=C1)C2=NC(=NO2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,ADOWEQHSQRRHQN-UHFFFAOYSA-N
-26884044B8C03FF4_6E7FD65CF4299986_6041_UN,SC2=NN=C(C1=CC=CS1)[N]2C3=CC=C(C=C3)NC(C)CN4C(OCC4)=O,MQSPFOMQCIJNDQ-UHFFFAOYSA-N
-26B539555395BAC4_ECA582EC08B7E87F_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F)Br,DVJDRMUDTRYORU-UHFFFAOYSA-N
-26EB60D4A0253C19_C624582563D7A07F_6029_UN,CC1=C(C=CC=N1)CCCN[S](C2=CC=C(C=C2)C3CC3)(=O)=O,XQFNPNZKGQZCMJ-UHFFFAOYSA-N
-27027C2563E98630_DD67A1CD3F1DDB26_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OCCC)C=C2)OCCC,ODJSWXHXVLCUDM-UHFFFAOYSA-N
-285077695D59A4A2_638CED652E028F4D_6041_UN,FC2=C1C(=NC=NC1=CC=C2)N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,JPGOJLZAWNZLBU-KYZUINATSA-N
-28AC2BAA2B729F6E_C9D53891639EC2BB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)N=CC(=C3)F,SZYTUAUVOKGPRI-UHFFFAOYSA-N
-29246F584BD7B020_597D5FF1F31A77BC_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=CC=CC(=C2)C3(C)CC3)[NH]4,QTGSROBPVHFDJW-UHFFFAOYSA-N
-298A7803AE27FD0B_112066715AEAB7AC_6038_UN,CC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CN(C)N,DUKUPADVURHSSK-UHFFFAOYSA-N
-2A4F45A9B0582E7D_2099AAFF28B07777_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C5=C(OC4(C3)CCCC4)C=CC(=C5)F,JQGKMUICPCBAPQ-IBGZPJMESA-N
-2A5A766A2263A5C0_0BAF72C0BFC0F4EB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C4C(=CC=C3)NCCO4,RGQPWWKXPICWBY-UHFFFAOYSA-N
-2C6D10CDC3E86406_7A28AB7D5DA4CB8B_6041_UN,OC(=O)CC1=C(SC=C1)NC2=CC=CC(=C2C)N3CCOC3=O,HECPARFYDKJMSF-UHFFFAOYSA-N
-2C6D10CDC3E86406_81308020E7E5C2DF_6041_UN,OC(=O)CC1=C(SC=C1)NC2=CC=CC(=C2C)N3CCOC3=O,HECPARFYDKJMSF-UHFFFAOYSA-N
-2D728204CE81B5FC_13245029ED981B08_6026_UN,ClC1=C(C2=C(C=C1)C=CC=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,XJVLUOMKNPZTKV-UHFFFAOYSA-N
-2D7641EBF27EF604_E6C1DE4B64A16F19_6029_UN,CC(C)C1(CN(C1)[S](C3=CC2=C(OCCC2O)C=C3)(=O)=O)C4=CC=CC=C4,QYHWNSLJYPYTHK-UHFFFAOYSA-N
-2DCB094082E731B6_977934A9031CD336_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC=C4CC3=C(C=CC=C3)C4=O,SIXOCHZEHGDHJK-UHFFFAOYSA-N
-2EF1C908D770A9E9_1FCA3BD3102B5EF2_6039_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=C(ON=C3)C4CC4,JXNGLSSUWGPMNN-UHFFFAOYSA-N
-3035E9F3D4149CBA_B929483ADFFB1992_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=CC=C(N2CCCN(C)CC2)C=C3)[NH]4,GUHNEGTWJQJIKG-UHFFFAOYSA-N
-31CC83A9177977E4_EE2B2D31EC855151_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(=O)COC2=CC=C(C=C2)[N]3C=NN=N3,VUVDNAWLVXJUNW-UHFFFAOYSA-N
-32CC7D5623B9999F_7E57A6501CDD0325_6004_UN,Cl[S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)C3=CC=C(C=C3)C4(O)CCC4,BXPPWLXSEFUKBM-UHFFFAOYSA-N
-32FE6B8DAC1050A6_1309D892B8DB16FB_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CSC(=N3)F,YEXMAECFRWCOAH-UHFFFAOYSA-N
-3340B7FE5320FF7A_F241FB45D73871F4_6029_UN,N(N1C(CC1)=O)[S](C2=CC=CC(=C2C)OC(F)(F)F)(=O)=O,WKGZZGQFYTWUBI-UHFFFAOYSA-N
-33FB9E2006024C6E_E5AC70E2EFEBAFDB_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C)(C)C2=C(C=CC=C2)[N](=O)=O)=O,UVOBBRDBDDBVIB-JTQLQIEISA-N
-3497E7B4C49280C3_51DA7061232B0D9C_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=CC=[N](C=C3)=O,GNTHPQLRRYUDCX-UHFFFAOYSA-N
-3592BA23803BDCB8_13E02D5D07EED73A_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C3(CCC2=C(C=CC=C2)C3)C#N)[NH]4,HNGLMJUIDMDUNJ-UHFFFAOYSA-N
-35A7CF09DD80C0E3_CECB032E73BBE7FE_6041_UN,OC(=O)C1CC(=NO1)C2=CC=C(S2)NC(C)C3=CC=C(C=C3)N4C(OCC4)=O,PAEWHVLHQWFGIV-UHFFFAOYSA-N
-363022FBACC5E5FF_65411B02F489EA01_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC=C(SC)C=C4)=O,FPZGANLREWBCDC-UHFFFAOYSA-N
-36E72DED89D2011F_7BAA80B3E0A9D0E5_6041_UN,C2(=C1C=CC=CC1=NC=N2)N[C@H]3C[C@@H](C[S](C)(=O)=O)C3,KARLLUIVOHHTOT-PHIMTYICSA-N
-370FE46E23996BAA_9E5A671624526680_6038_UN,CN3C[C@@H](OC(C2=NN(C1=C(C=C(C)C=C1)C)C(C2)=O)=O)CC3=O,QKIBCZIBPWWQEQ-LBPRGKRZSA-N
-376CCBF24810719F_40E18D9D5A823FC0_6038_DP,CC(C)[N]1N=NN=C1C2=CC(=CC=C2)NC(C4=NOC3(CCNC3)C4)=O,UKTALMFHEMZKEY-UHFFFAOYSA-N
-38B0978FB46E7F93_F08D1BB95B2ACDA2_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3=C(C4=C([NH]3)C=CC=C4)C5CC5,CGFLAYAFYIMALG-UHFFFAOYSA-N
-3A750D210A16B9E6_1C727EE26DE4A777_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNC(=O)N2)C[C@H](C)N(C)C,KQBWUQNZFBSWRX-VIFPVBQESA-N
-3AFBE6239D954143_37896C59329EBD5F_6038_UN,CC[N]1C(=CC=N1)[C@H]2[C@@H](C2)NC(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,CRRWJMMTMZHVGI-HUUCEWRRSA-N
-3D9AF719B1BD25A4_6D5AFB5D03BFF587_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[NH]C4=C3C=C(C=C4)Cl,VGXYXQSSHHTOMJ-UHFFFAOYSA-N
-3F2BEC12F6818213_23ACC239F0B6B8E7_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=NC=C(C=C2)C3CC3)(=O)=O,DUXCJADJFLZSSU-UHFFFAOYSA-N
-4020F52D0D3CCF10_737946AEF1024372_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC3([S](N(C)C)(=O)=O)CC3)F,MDPPIWGRUWVHPC-UHFFFAOYSA-N
-40A463663CC43911_638E7B36A2A75897_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=CC4=C(C=C3)OCCO4)(=O)=O,JIIPTAJWSVFPJE-UHFFFAOYSA-N
-40F59714AC38BF86_8A341602F8A8C12D_6005_UN,ClC1=NC2=C(C=C1)C(=C[NH]2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,PFGSZTHTLGELRC-UHFFFAOYSA-N
-414DA94A83716FA3_8FB95CAAE0108D96_6005_UN,F[S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,OUMSGFOUZFYEMB-UHFFFAOYSA-N
-4221C9AC98FCBFB4_C54DB7E28B1BB94E_6041_UN,OC(=O)C2=C1C=CC=C(C1=NC(=C2)C3=CN=CC=C3)NC[C@H]4OC(OC4)=O,UOOHJCSVWIQQBJ-GFCCVEGCSA-N
-4292F8A71844CCEE_8539FED86772F17B_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N3CC(OC)(C3)C4=NN=C[N]4C,BHTFTIMDBOTEDV-UHFFFAOYSA-N
-431DC6582D8B88B1_D987883BF82B2227_6035_UN,O(CC1=NC(=CC=C1)[S](=O)(=O)F)C2=NC(=N[NH]2)N3CCC(N)CC3,WFZMROIBSZCSOX-UHFFFAOYSA-N
-435FCCDFC2EA3E88_9E3401FC9EEBE5B5_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC([S](C)(=O)=O)C3=CC=CC=C3,FHEWCSJNMCLIFM-UHFFFAOYSA-N
-43C79E2517540108_A2BB4950F7CE6EDA_6028_UN,CC1CCC(CC1)N(C2CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,NVCUGORAWIAOQS-UHFFFAOYSA-N
-43FEC226036FF266_DB23F643E54E9F8D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC4CCN(C3=N[N](C)C=C3)C4,ORIPKCTVYWJJLV-UHFFFAOYSA-N
-45B6267F4EC53817_C1DA4ED74907F36D_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3(CC3)C4CCNC5=C4C=CC=C5,HOFBIZNRKYZBSI-UHFFFAOYSA-N
-46AFE71E370FAA17_6491835983021CCF_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4=CC=C([S](N(C)C3CCCCC3)(=O)=O)C=C4,RFGCQHRZYLFHHU-UHFFFAOYSA-N
-4995B14371305BE5_6EBC84F58B5F525D_6029_UN,CN1CCCN(CC1)C2=NC=C(C=C2)CN[S](C4=C(CBr)C=C3OCOC3=C4)(=O)=O,FTSONJYGCLDCQK-UHFFFAOYSA-N
-4A8F1D6E2FF2BFD0_D8BA2707E06EFFB4_6041_UN,O[S](=O)C1=CC(=NC=C1)NC(C)C2=CC3=C(C=C2)OCCC3,NLTQRFBMSMAASY-UHFFFAOYSA-N
-4AEDF9B90C237D56_6D83483B703D1428_6029_UN,CN1CCCN(CC1)C2=C(C=C(C=C2)F)CN[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,PAHHBIVZAAKUPI-UHFFFAOYSA-N
-4C581E946C70FA61_819F858ED24648F4_6038_UN,N(C1=CC=C(C=C1)C2=N[NH]C=C2)C(C(NO)CC3=CC=CC=C3)=O,YOLPLGKFDJUUDQ-UHFFFAOYSA-N
-4FE4F5AD1B2E52F7_D3E4D4B7329A513D_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N(C3=C(I)C=CC=C3)C4CCC4,WFUXDVLUMWLAEB-UHFFFAOYSA-N
-5029883F96CD3D24_347A24ABB60834F5_2875_UN,COC1=CC(=CC=C1)C2(CCC2)[N]3N=NC(=C3)C4=CC=C([S](F)(=O)=O)C=C4,BFXWLNVBRALCPO-UHFFFAOYSA-N
-50A7415AE1CF03E8_72313233111CA09F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)CC(OC)=O)=O,JCIJTNUQZRQIHW-NSHDSACASA-N
-5116079280BD726E_E88A82D236DB4EC5_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC(=CC=C4)N5CCC(=O)C5)(=O)=O,IGZRKRHRCRNPFU-UHFFFAOYSA-N
-512D6E2F1996B825_1876DF2271E67B2A_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CBr)(=O)=O,LSLVYGASWCPXRJ-UHFFFAOYSA-N
-520F2059EA4A3F10_FAB8FEF1FFD85FF7_6029_UN,OC(=O)CCC1=C[N](N=C1)[S](C2=C[N](N=C2)C=C)(=O)=O,QTVKFYSLTOQFNX-UHFFFAOYSA-N
-54E9E0D8E1732E95_D2EC92804D027082_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C)[N]3N=CN=C3N=C4)=O,AQPLHMSUXCFXEV-UHFFFAOYSA-N
-552262F397713265_0D4C818F1EC9078B_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=CC5=C(C=C4)OCCO5,SVHKTOBQKVHYDL-UHFFFAOYSA-N
-557DE40C75F6C8A3_7574D570CBD44A5C_6038_UN,N(C2=C1OCCC(C1=CC=C2)=O)C(C4CCN(C3=NC=C(C)C=C3)CC4)=O,MKSJXHVEERZVGT-UHFFFAOYSA-N
-55EDE752778CDF69_F89EC17A5919F42F_6029_UN,N([C@@H]1C2=C(OCC1)C=CC=C2)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O,LHNBFVBJCCQXPZ-INIZCTEOSA-N
-571B737955C423F4_6AFCF20EC2D2DE94_6041_UN,CC1=C(C(=NC=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)[S](=O)O,CJKQRVKSIPMPBS-GFCCVEGCSA-N
-583820CB5E7AD1E0_B2C47DB09A6A2E32_6041_UN,O=[N](=O)C1=C(C=CN=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3,BIOUBQIEBUQXLL-UHFFFAOYSA-N
-58C27FB2BBBD0FEA_DDB69FB0021261A9_6029_UN,N(CC(O)C1=CN=CC=C1)[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O,SCAUEIXBIWDDIN-UHFFFAOYSA-N
-5978304A86A13830_8AD8C2B1AB5D59F4_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N4CC3=CC=CC(=C3CC4(C)C)C,ZFOYYROFHGXDSS-UHFFFAOYSA-N
-598C40FCF552CC17_A8AC0174860490D2_6029_DP,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,MWPYLGDAKAJMCY-UHFFFAOYSA-N
-5AD6F00F04BBAA48_EEDA2255C39FA330_6029_DP,ON(CC1=CC=C(C=C1)F)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,LIIQFVARGLUHGY-UHFFFAOYSA-N
-5B719686DCE0C726_4BDFE7C1D1A5A287_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C5=CN4CC[S](=O)(=O)N=C4C=C5,HSFFHBGYYJTIJW-UHFFFAOYSA-N
-5C88AF0DE4954FBE_6A40ADC41AEEA18B_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3CC#C[Si](C)(C)C,INKZXNXVPOJDHY-UHFFFAOYSA-N
-5D1EE0462B40D319_0D10159DD543D7AE_6026_UN,[S](=O)(=O)(C2=C1OCOC1=CC=C2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,LGLZTYPSJBJWCX-UHFFFAOYSA-N
-5D885831A2F89821_B81437E47EDF79AF_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CC=C(F)C=C2)(=O)=O)C3CC3)C=C4,XXHODKDYAWLAGD-UHFFFAOYSA-N
-5DEB1982BBF9231D_A7D02B6B54F997C7_6036_UN,CC(Cl)CCN([S](C1=CC=C(CBr)C=C1)(=O)=O)C2CC2,ANWRHRGPXBCMBJ-UHFFFAOYSA-N
-5E763161E2F2AE4B_4A60521451BEBDF3_6035_UN,C[Si](C)(C)C#CC(OC2=C1N=CC=CC1=NC=C2)CC3=CC=CC=C3,NOGQNUXCZPMVJA-UHFFFAOYSA-N
-5F02ED4C566618BD_AC39B8645053685E_6026_UN,ClC2=C(C=C1C=CC=CC1=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,UWCJVSRUIOEEJI-UHFFFAOYSA-N
-5F4AAB8EDC8CF97B_0BB0A2F454342393_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4(C[S](C)(=O)=O)COC4,OPXXUIXACQPJQX-UHFFFAOYSA-N
-600984649CFC0BB8_903166784A134A37_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CCC2)C3=CC=C(C=C3)F,WCTIEJVRUKFLHU-UHFFFAOYSA-N
-613B86173B4431FA_77B4D284D9DEE1CD_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C(CC3=CC=CC=C3)C4CC4,AKGHREDRBAWOAQ-UHFFFAOYSA-N
-6248745EADEB04F1_D1FC47D52F6E9E28_6041_UN,CC1=C(C(=NC=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,YUFIPTOZGLGRFD-GFCCVEGCSA-N
-626C78C963929403_51500BC2A49AA205_6029_UN,COC1=NC=CC(=C1)CCN[S](C2=CC=C(C=C2)C3CC3)(=O)=O,KQJKKHYLUUBCSG-UHFFFAOYSA-N
-629CB9BAD0B4DA6D_DF8D5F5311AA9C62_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC=C(N3CCN(C)C3=O)C=C4)(=O)=O,QRAUBZGSYLBZIL-UHFFFAOYSA-N
-63247D93AD371602_CE6B20E572470CAD_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=C[N](CC2=CN=C(Cl)S2)N=C3)(=O)=O,HAAOLJVAKUXYBR-UHFFFAOYSA-N
-648E8C4120B927F9_66AF4C16A7D137FA_6026_UN,CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3CC(C3)C4=CN=CC=C4,NVOYGKUIEQHEIP-UHFFFAOYSA-N
-65B609CA690F98A2_6AD8358123FD026F_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3,XNVGRRMLLNSYOB-UHFFFAOYSA-O
-65C15A2D49FCC2BD_1BFE909C4026107A_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)C[C@@]4(C[C@H]4[S](C)(=O)=O)C#N,QACUAWUXMSNYOO-DNVCBOLYSA-N
-67028DA32C03CA05_196EF6905274B621_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=NC=CC(=C3)CO)(=O)=O,PCOYJXPCQUPMRP-UHFFFAOYSA-N
-67CD4D8C1CAA65A0_068630E86891BA76_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C(C=CC=C3)N4CCOC4=O)(=O)=O,IAWFISCEAIDXGI-UHFFFAOYSA-N
-67D5C0AE52035FC5_8A47DDF893D55B07_6035_UN,C[Si](C)(C)COC3=C(C2=NC1=C(C=C(C)C=C1)[NH]2)C=CC=C3C,FHCRFOOFILGFJG-UHFFFAOYSA-N
-6821C0D4C2C515EF_A620E8DDA9529F6F_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC([C](C)=[C]3C[CH2]C3)=O,JRSNUSDDQSTENJ-UHFFFAOYSA-N
-68BA53368F450200_FF8F606F352E02A3_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)C(OC)=O)=O,CHPHBHVBUQZBOS-JTQLQIEISA-N
-69196FADA5FB3F91_9B1AAAB4365CFE05_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(C3(CC)CC3)C=C4,ZUOSAGDQHURSKV-UHFFFAOYSA-N
-6A0A9F6C55A2865F_A3E3B46E6E741226_6028_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=NC=C(C)C=C3)(=O)=O,QVTSQLACKBXKRN-SHTZXODSSA-N
-6AFC7B59FA43C841_0CB4A7D07BDBE46E_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C3=NOC(C)(C)C3)=O,AOSZYCCZKQPKSW-UHFFFAOYSA-N
-6D446CDFAD3669A0_03D28E268BC0B813_6003_UN,CC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)CC2CC2,PJXRADYHJCLWRE-UHFFFAOYSA-N
-6D8FFF6A439319CC_24BF7329A5A6F231_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,XZTBQSHAPVSDEQ-UHFFFAOYSA-N
-6D93706C2228A2EF_F20272C7350742FC_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC3=CN=C(N2CCN(C)CC2)N=C3,FCUMZOUQJZYOKR-UHFFFAOYSA-N
-6E12C3C834480BFE_8206CF1934D2992A_6003_UN,CC(C)C2CC(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2,JUPYCAKRZSRCTL-UHFFFAOYSA-N
-6E4B5227EC1F55E7_130EFCEFBF7B9A62_6027_UN,CC1CCC(CC1)N(C2CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,GTKAXMMEALLNJK-UHFFFAOYSA-N
-6E4B5227EC1F55E7_8FE8C6F5C7C1298C_6028_UN,CC1CCC(CC1)N(C2CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,GTKAXMMEALLNJK-UHFFFAOYSA-N
-6E844F11E8429236_2DAD8DC90CE1F852_6038_UN,CC1=CN=C(C=C1)N3CCC(NC(C2=CC=CC(=C2)C[S](C)=O)=O)CC3,JAJAXQMUYZUHKS-UHFFFAOYSA-N
-6F6A2ED0D55CCED0_0A86BDA2C13AEFD6_6035_UN,C[Si](C)(C)C#CC(OC1=CC=NC2=C1C=CC(=N2)C)CC3=CC=CC=C3,LVTKRNCZCQQNMH-UHFFFAOYSA-N
-70A7A4818DE7D5E6_B72289AB7694F8D2_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C[N]2C=NC3=C2C=CC=C3)C4=CC=C(C=C4)F,OOXVYLRMCXBMJQ-UHFFFAOYSA-N
-71602A857136724E_DFA6D22C89BAE6C5_6038_UN,N(C1=CN=C(N=C1)C2=CC=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,VDAMBGIJPJFADW-UHFFFAOYSA-N
-718A7B4E3C7EE063_E3947758C10AB2B3_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C(O3)C4=CC=C(C=C4)Cl,FZFRBWKFWWNOKW-UHFFFAOYSA-N
-71A19AAAE136FC7B_B2615FB046748520_6038_UN,CC1=C(C(=CC=C1)OC([C@H]3N(CC2=N[N](C)N=N2)CCC3)=O)[N](=O)=O,BPLHTDWXESXTQV-NSHDSACASA-N
-71B2CFC185C5CF5B_81A549F48459BFAD_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC4=C(C=C3)OC(C)(C)CC4O)(=O)=O,XSTSIMNVSLSZAN-UHFFFAOYSA-N
-7396FA8FB4998028_B66A6252097941A5_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=C(C=NC=C2)C3CC3)(=O)=O,HGVCDGPTLTZWOH-UHFFFAOYSA-N
-73AFB8994C4BF4FD_F6F57893C4393052_6038_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,UUCBHDHCLWTIAT-UHFFFAOYSA-N
-7413520C68C1138A_06DB8A3C6A2E0FD3_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CCOCC2)C3=CC=C(C=C3)F,OSOTXFRMDKSNDO-UHFFFAOYSA-N
-7496F9AFFE0E88AE_8564B645893B51BC_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCOC4,LFKAWCVCJXJMIF-UHFFFAOYSA-N
-755B170D6C6CFD01_4D1168D1DDC7E60F_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(N=CC=C3)Cl,HREIRLFTIAAPOI-UHFFFAOYSA-N
-762773995F796BE4_93FA307CE6B974CC_6029_UN,CC1=C(N=CC=C1)CCCN[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,YHJOVJLUTBXVMN-UHFFFAOYSA-N
-7680D539F9EA0043_ABA2FA761629BC23_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC(=CC=C3)C4CC4)(=O)=O,UHNQVNDJTBPKJN-UHFFFAOYSA-N
-76BB4C34C8733D16_CD7F222703B2A532_6041_UN,OC(=O)CCC1=C(N=CC=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,XEWXJLDVLKWWCZ-UHFFFAOYSA-N
-76D7E62DAB28BB0F_93B0308C2FD2D622_6038_UN,CN(C)C1=CC(=C(C=C1)NC(C2N(C)C(CC2)=O)=O)C,FSSGUNPNSQEGDZ-UHFFFAOYSA-N
-77B4154D2125AB3A_689182385CC21B9B_6038_UN,CC(C)CC(CNC(C1=C(C(C)C)C=N[NH]1)=O)N(C)C,LGPCWSAXDFIMCY-UHFFFAOYSA-N
-7A7B13FE2441AAF6_A080BAD6B0F92305_6041_UN,CC1=C(N=CC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[S](=O)O,IGPZNVYPRUYXBB-AWEZNQCLSA-N
-7AD2B9133A7F3A91_30E57D272DAB4A88_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NC(C3=NN=N[NH]3)C4=CC=CC=C4,XHFOZFALRCNQCX-UHFFFAOYSA-N
-7B5043C9834206F6_1D5C9C28EA865CAE_6026_DP,N4CCCC1=C(C=CC(=C1)[S](=O)(=O)N(C(C)(C)C2=CC=C(C=C2)Br)C3CCC3)C4,NBIBBUFDMHNUBP-UHFFFAOYSA-N
-7C76FDBCD531BB17_FF6FA326FC8B52B5_6038_DP,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC([C@@H]3CSCN3)=O,WPPUDJOQKTYBNO-LBPRGKRZSA-N
-7CE98B7DA1AD2F01_BD02F2F8A4D7537F_6038_UN,CN(C)C1=C(C=C(C=C1)NC(C2=N[NH]C(=C2)C3(C)CC3)=O)F,WFPDRIJYNPDWLA-UHFFFAOYSA-N
-7D023EE5CB7D166F_DCDD68EC0B5BA2A4_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3)C=CC=C4,RQWWMNHIBYUWJY-CZUORRHYSA-N
-7E9F3193C4FC0050_B5C74C8EAC5AB43D_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC3=CN=C(N2CCN(C)CC2)C=C3,NUSXTLGMVXAROQ-UHFFFAOYSA-N
-805CDDFF744E65C2_8773F2AAF9BFF55E_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC=CC(=C3C)N4CCN(C(C)=O)C4=O,WEGLNHHVVXDOAI-UHFFFAOYSA-N
-810BD68E6BBA6A11_76CBCDBC0496EA81_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC4=C(C=C3)OCO4,NEXSUYQAGATIMC-UHFFFAOYSA-N
-810BFD741CCC718F_2695DADF4DECA08E_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CC(CN3)(C)C)=O,NFJHZMRALKXTFQ-UHFFFAOYSA-N
-820A2BB59FF6A4FD_4D76FB1F7DDA2AE6_6035_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,OQYZMJNCWUQNOE-UHFFFAOYSA-N
-830122BF9C9E74CE_AB814AFCA898C3A8_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CC=C(C=C3)N4CCC4=O)(=O)=O,NBQSSUWETZBIAP-UHFFFAOYSA-N
-83329AA1F59DA131_D29F05FE2AB32857_6039_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=CN=C(N=C3)C4CC4,PBMSCRGKPJOMJD-UHFFFAOYSA-N
-846B05165314DA9D_C3738F599C57D181_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=C(OCC)C=C(C=C2)N3CCN(C)CC3,RWYPFMBGEYSOOI-UHFFFAOYSA-N
-855108E3FF045FC7_BFD50161FEB72E1C_6029_UN,CCN4CCN(CC1=C(C=CC=C1)CN[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O)CC4,SBNDOXZDWHWWIY-UHFFFAOYSA-N
-855999511FE98113_B402EA9A281B75E7_6005_UN,F[S](=O)(=O)C1=C(C=CC(=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F)Cl,UBJBQCVFMWRTLM-UHFFFAOYSA-N
-86DF71AA3E935EC2_00EF5F99F84162FA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CN(C)C(CC3)=O,BFACJKUBJMNIEC-UHFFFAOYSA-N
-877BE2D5FDF9DCAE_CF07BBB9FF157243_6041_UN,O=[N](=O)C1=C(C=CC=N1)NC3=CC=C(N2CC(C)(C)C2)C=C3,XTAKXHQPIJCVIP-UHFFFAOYSA-N
-877BE5D388B550CC_437A7FB91D6E2609_6038_UN,CC(NC(C1(C(OCC)=O)CC=CC1)=O)C2=NN=N[N]2C,HYHDVWZGSVFAKR-UHFFFAOYSA-N
-887DA642C57EF163_9C419BA6836A2764_6041_UN,OC(=O)COC1=C(SC=C1)NC2=CC=C(C=C2)N3CCOC3=O,JNLCZAVRAKVHJI-UHFFFAOYSA-N
-88B6C0FE1896E38C_11102A9EF803EE3E_6038_DP,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(C(C)=C3CNC3)=O,DARVCAFQOPYWQM-UHFFFAOYSA-N
-890EFB1204D8FB9D_5C9EAC842BE49DFD_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C4=C3OCOC3=CC=C4)(=O)=O,BUJDRPAIYFORBU-UHFFFAOYSA-N
-8933BA52604D0D0E_29FAA8FE69460D22_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C3=C(C)N=C(C=C3)C4CC4)=O,SUZLVNSCJPCBNK-UHFFFAOYSA-N
-8ABF895A895EF73F_1727B0D13960BDB6_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC(=CC(=C3)C)Cl,MYVAYKBFEBJFDH-UHFFFAOYSA-N
-8B19FDFFEC860B01_BAA058C803E5F8A9_6029_UN,OC1(CN(C1)[S](C2=CC3=C(C=C2)OCCCO3)(=O)=O)C4=C5C(=CC=C4)C=CC=C5,ZTZDFVQTNFYGER-UHFFFAOYSA-N
-8C063FFF6FBC318F_AAD6846F9BFB4F61_6035_UN,C[Si](C)(C)C#CCOC1=CC=CC(=C1)C2=NOC(=N2)C,IKOXZGKEDRROAR-UHFFFAOYSA-N
-8CD4B540FCB8F406_DD48F063667C08CD_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C[N](=CC=C3)=O,SZRBHKVIMOIGPL-UHFFFAOYSA-N
-8E352E97DEB5A7CD_B526CD789E42DD2B_6029_UN,N([C@@H]1[C@H](CCC1)O)[S](C2=CC=C(C=C2)C(=O)C3=CN=CN=C3)(=O)=O,MZJMDOLDHKLMQP-GJZGRUSLSA-N
-8FC30F39428997B8_B6BF3BAFFEF1DB0F_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=NC=CC=N3)C=C4,PCMAFWNXIMEXHF-UHFFFAOYSA-N
-91FC82A067266378_C74F93B862860036_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(C)C(OCC3)=O,MGDGETBUAZLZFG-UHFFFAOYSA-N
-9293D135E5CED841_0321048E6F4249FD_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=C(N2CCN(C)CC2)N=CC=C3)[NH]4,JIDGWYAWWNMPKY-UHFFFAOYSA-N
-92F3D49DC76A5C76_6CEAFE0E4D722302_6041_UN,CC1=C(N=CC(=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)[S](=O)O,BMDSICBUXZMINI-CYBMUJFWSA-N
-953AADB610B38A6D_599486E5355BA544_6038_UN,OB1OCC2=C1C=C(C=C2)OC(C(C(C)C)[N]3N=NC(=N3)C4=CC=CC=C4)=O,RSVMHUOFFXERNP-UHFFFAOYSA-N
-9562AC103F304785_15B1E59C1DAB5DF1_6034_UN,N#CC(=CC1=CC=CS1)C3=NC2=C(C=CC=C2)N3CCN4CCNC4=O,ULIIMGJMMUURIY-UHFFFAOYSA-N
-978DD7DA5AB0C56B_AAED5211771C3069_6041_UN,OC(=O)COC1=C(SC=C1)NC2=CC(=C(C)C=C2)N3CCOC3=O,GVVRRZCCMQWQRV-UHFFFAOYSA-N
-9807B0AAD17979D2_0821FD7CBC50DE12_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3CC(CN3)(C)C)=O,VIPJFFAEJRGGFE-UHFFFAOYSA-N
-99D2967A5A98DCDB_8DC237B5EA888C87_6038_UN,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC(C3=C(C)OCCC3)=O,IGCKEBMUUWCPJT-UHFFFAOYSA-N
-9C58D53179FCA68F_E76D77C564FFA136_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CSC(=N3)Cl,SQOUQJJTRLIGSE-UHFFFAOYSA-N
-9D4C78F9D902BD21_A1E1D2FFA31C6218_6029_UN,N(CC(CO)C1=CC=C(C=C1)Cl)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,FYHDHLQHPPPNQT-UHFFFAOYSA-N
-9D9CC078DD4AACDC_A8DC09F33DDC63D4_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C)N=C3C=CC=CC3=N4)=O,KDUGLUHLVAQGHG-UHFFFAOYSA-N
-9DB68583C31A2F69_F4EF01FE63F8807D_6038_UN,CC(C)C(CCNC(C(C)(C)C1=N[NH]C=N1)=O)N(C)C,SMILRFZPYIMSFR-UHFFFAOYSA-N
-9DE035CAAEB9476B_6EB03EB0BD3381BC_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=NC=C(C)C=C3)(=O)=O,GPUJWXNTUPNPSU-HOTGVXAUSA-N
-9E7BEDF0E15513BD_F8F65B079EA3F383_6006_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)C2=CC3=C(C=C2)CCO3,PHFDQIHXWLEZIH-UHFFFAOYSA-N
-9EBF9BF35D0A89A3_A32B3B9E94D7E249_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4ON=C(C3CNC3)C4)=O,KJXROSNFZZZUNF-CFMCSPIPSA-N
-9F7ABEC14DADDA1A_A32BDBE9F2500E61_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4([S](C)(=O)=O)CC4,JXBOFROCOIAIMH-UHFFFAOYSA-N
-A0B73061A224F211_59DE3AC68CB85DA7_6041_UN,COC1=C(C=C(C=C1)C2=NC=CC=N2)NC3=CC=C(C=C3)CCC(=O)NO,XUYFPIRORVVIHC-UHFFFAOYSA-N
-A0C112F54EF9414C_F43FF1F605ECCB0A_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C45CCC4CNC5,DUTJYFDBELQIDI-UHFFFAOYSA-N
-A0D2050CEB38270D_558EB01EC6747FDE_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CCC3=C(N=CC=C3)F,ZGCDYEYILFHIDA-UHFFFAOYSA-N
-A189EDAFE1C54972_F8C230F124234826_6038_UN,CCC(CC)C(CNC(C(C(C)C)C1=N[NH]C=N1)=O)N(C)C,GOVVIGLJFDACCZ-UHFFFAOYSA-N
-A23C0F553B5E774B_48FDA60A1A2613F4_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(C=C3)C4CC4)(=O)=O,XKUDRSTWUKCCLL-UHFFFAOYSA-N
-A4D4FF21F53152A5_110620827B9281DD_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3=CC(C(C)(C)CC3)=O,KMMMCUPJEOZKIS-UHFFFAOYSA-N
-A6E27760251ECC66_3C12CBF959601B5C_6029_UN,N(CC1=CCCC1)[S](C2=CN=CC(=C2)C(C3=CC=C(C)C=C3)O)(=O)=O,IQNSQHAECNYAMV-UHFFFAOYSA-N
-A7476E629AFDF31E_6EEA237FC249719B_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC=C3C(CCOC3=C4F)=O)(=O)=O,JHAMVJBVLAVQGI-UHFFFAOYSA-N
-A7707F7A3558A350_96E10EB41C0C4C4B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C(O3)C4=CC=C(C=C4)F,MPCUUDYIFZOENW-UHFFFAOYSA-N
-A83CE04F946B1EB8_1550B7CD0100AACE_6038_UN,N(CC[N]1N=C(N=C1)C#N)C(C2=CN=[S](C)(C=C2)=O)=O,YALLKSVXJGBDMT-UHFFFAOYSA-N
-A85267B1513B0494_1897777BA9D8BCB8_6029_UN,N(C(CB(O)O)C(=O)O)[S](C2=CC1=CC=N[N]1C=C2)(=O)=O,UGGWFFCGADPGDD-UHFFFAOYSA-N
-A8CC11B9B0407611_6B0B15902E0ED57D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(SC3=CC=C(C)C=C3)CCCC4,BCZQPYZHHWVIBJ-UHFFFAOYSA-N
-A918ECC96AA64F68_035ECE51CF42C0F4_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC=CC(=C3)C(C(C)C)=O,HEDZLUQNFAUMCU-UHFFFAOYSA-N
-A918ECC96AA64F68_D262C2D404C90A8C_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=CC=CC(=C3)C(C(C)C)=O,HEDZLUQNFAUMCU-UHFFFAOYSA-N
-AA92042B393C6BD5_BBCCFDDB28D73A67_6041_UN,C2(=C1C=CC=CC1=NC=N2)N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3,KARLLUIVOHHTOT-XYPYZODXSA-N
-AAAB287B4403CF38_BCEDD74B617EC5E8_6038_DP,CC(C)[N]1N=NN=C1C2=CC(=CC=C2)NC(C(C)=C3CNC3)=O,VZOCFYVKLSOJIZ-UHFFFAOYSA-N
-AAD65C6F95A40169_F521062AED787579_6004_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)C2=C(C=C(C=C2)C3CC3)Cl,WVTUWLMASSKVEE-UHFFFAOYSA-N
-B03AB415CA3C3D0C_497B6667B605EC33_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCC4(CNC4)O,RURCFHCECHPGFK-UHFFFAOYSA-N
-B101BE19A31678DA_4D99E60D56C45268_6041_UN,OC(=O)C1=CC(=NS1)C2=CC(=CC=C2)NCC3OC(OC3)=O,XKWCVLVUYGICEL-UHFFFAOYSA-N
-B12E583DDA51A1FB_2C19A1F20589B44C_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CC(CCC)C)=O,YIDBRMJMTUSHPK-UHFFFAOYSA-N
-B2F73A7F471AC7E8_5E1C56A1B8A5ED13_6029_UN,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C45CCCCC4O5)(=O)=O,BJKWVZBAZHBXEM-UHFFFAOYSA-N
-B3D019E9D0DAAD0F_800268AB03C310C7_6034_UN,FC1=C(C=CC=C1)C2=CN(C(=N2)C3CCCN3)C4=C(C)C(OC4)=O,CIOBCXDVUKBCGY-UHFFFAOYSA-N
-B3FBA6720833F4C0_3F385E72CFAD208C_6029_UN,FC1=CN=C(C=C1)C2=N[N](C=C2)[S](C3=C(C=CC=C3)C45CCCCC4O5)(=O)=O,UXXYOTZMZYCMOS-UHFFFAOYSA-N
-B4155CE2FF88F69E_F047CB99BDCE5684_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)CCCC4,UVXGJZVYCSVOPF-UHFFFAOYSA-N
-B514BEB171BBD6E9_FAD5AF7001DA5E02_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H]3CN(C)C(C3)=O,ZYHYQPXKNKEWJY-QMMMGPOBSA-N
-B6D72C6148BB442B_A4A48AAE6025F97F_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2C3CCCCC3C)C4=CN=CC=C4)(=O)=O,BQRRHQUROHHRIH-UHFFFAOYSA-N
-B706465068208C0A_1AA2C662667B5CD2_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C4=CC=CN5CC[S](=O)(=O)N=C45,FWBHHBZDAUMCDT-UHFFFAOYSA-N
-B79A1A8C4B8E8CFE_26CA53101B97BFD7_6029_UN,CCCOC(=O)C1=NN(CC1)[S](C2=CC(=C(CO)C=C2)I)(=O)=O,LGMYCHJVVBQDAG-UHFFFAOYSA-N
-B7B819A6774B92A5_4DF4D21CE81141B0_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C4(C)CC3=C(C=CC=C3)C4,OKQFXRYLDZYNDX-UHFFFAOYSA-N
-B800BCF615B976A4_1C5381AC327CA1FD_6036_UN,CC3=CN1C(=NCC(C1)N(C(CCC)C)[S](=O)(=O)C2=CN=C(C=C2)Cl)C=C3,ZPFORFDOIXVRTI-UHFFFAOYSA-N
-B96EDBDA2F380E9B_E999AF24DFDEBF11_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCCC2)C=CC(=C3)F)[S](=O)(=O)C,LFURYZWTVCISDL-UHFFFAOYSA-N
-B9A1A10F6722A8A7_E49B320CBCB6749B_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=CN=C(N=C2)C3CC3,XCIAINQAFYVZGW-UHFFFAOYSA-N
-BA73B3D1FF2FFCCF_E4BA3FD734014242_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CC(=CC=C2)Br)C=C3,LSJNUQBCPNUSKN-UHFFFAOYSA-N
-BD9D065A2DB792F9_EF43EDF5CB0C4269_6038_UN,CC1=CC(=C(C=C1)OC([C@H]3N(CC2=N[N](C)N=N2)CCC3)=O)[N](=O)=O,JOOHJBDQTYYNGQ-NSHDSACASA-N
-BE5F6746B9EB087D_F1F73D8319CB3A01_6035_UN,C[Si](C)(C)C#CCOC3=CC=C(C2=NC1=C(C=C(C)C=C1)[NH]2)C=C3,QYVFOXFRXULWJL-UHFFFAOYSA-N
-BF20137BF51762B8_6ABAE81177F927F9_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C(C)=O)=O,BKFDIXCARFBAOI-UHFFFAOYSA-N
-BFFCFDC6A4D4DC17_A5870E95380EEF8E_6041_UN,CC1=C(N=CC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,JHNBVHZDRKRYNO-AWEZNQCLSA-N
-C0D0B267253AA477_E2C71A22B8D4F8CB_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CN=C(N2CCCN(C)CC2)C=C3)[NH]4,RUBDWOQPJHTQNS-UHFFFAOYSA-N
-C0D50BD688F7FAAE_A98292DCD58DEDD5_7019_UN,C(C(=O)NC1=C(C=CC=C1)CC2=CC=CC=C2)=CC3=C(CO)C=CC=C3,HYVUQKITWWTGHV-UHFFFAOYSA-N
-C12D7CE51B88FEEE_01E1F427A53BD4C6_6004_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)C2=C(C=C(C=C2)C3CC3)F,XFHDGAHIXRUBDQ-UHFFFAOYSA-N
-C16E2E37468EEFF0_76235C69A7FAF7A3_6029_UN,N(C1CC(N(C1)O)=O)[S](C3=C([N]2C=C(Cl)N=N2)C=CC(=C3)Cl)(=O)=O,NJVGTNWCBFRZML-UHFFFAOYSA-N
-C1B4D6927165CBB1_B5FC3015D52D6A5A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC5=CC3=C([N](C)C(=N3)C4CC4)C=C5,IMSFGVRSBDGTKS-UHFFFAOYSA-N
-C1BC415F31671964_9F4103FA082E1D7F_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC=CN(C)C4=O)=O,FXNRDMYHUHOPGR-UHFFFAOYSA-N
-C3E0920E4CBFF3BD_76AFEADD07BB05EE_6041_UN,OC(=O)C1=CN=C(N=C1)C2=C(C=CC=C2)NCC3OC(OC3)=O,FJPNWXNMBNQFIS-UHFFFAOYSA-N
-C4D9AA4301D177A2_665E5FF5F1630B67_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCCC3,MFRFNWNMYRZQSJ-UHFFFAOYSA-N
-C4DF5EC4F69C396E_CA9CF5E46F419007_6005_UN,F[S](=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,YWPSNFHFCOSEPC-UHFFFAOYSA-N
-C50154FADA90B74B_94FF4DAB8705272B_6028_UN,CC1=C(C=C(C=C1)C3(CN[S](C2=NN=CC=C2)(=O)=O)CCC3)C,UHVLQKSFCRYSRE-UHFFFAOYSA-N
-C6075511766DBE76_78763F206A7F7962_6036_UN,CC3=CN1C(=NCC(C1)N([S](C2=C(F)C=CC=C2)(=O)=O)CC=C)C=C3,ZFPGLOQJIKROQS-UHFFFAOYSA-N
-C6D2030E78880D2A_81B8AA399147B633_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)CCC3=NC=CC=C3,XLKZTVWFQBWBFQ-UHFFFAOYSA-N
-C6D2B690931DF05B_33289E1634F83B0B_6038_UN,N(C1=CC=C(C=C1)C2=NC(=N[NH]2)C3=CC=CC=C3)C(C(NO)CC4=CC=CC=C4)=O,SJCWKLBNJIFLIZ-UHFFFAOYSA-N
-C958F30984D161EA_61BD914BA7FE5869_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)C=C(C=C3)[N]4C=NC=N4)=O,LDMYZUCRXXSKRY-UHFFFAOYSA-N
-C985E2AA0FD3FE17_01242776C419A529_6029_DP,N#CC1=CC=C(C=C1)C2=N[N](C=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,AUEJPEIYRRODFB-UHFFFAOYSA-N
-C998B2D9ADD18162_0EB31151D929BC02_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC4(C3=CC=C(C)C=C3)CCOCC4,DPEGDNWQEJNCFU-UHFFFAOYSA-N
-C9C807C92CFE6D54_F6293CC6CC37D4B5_6038_DP,O[C@@H]1[C@H](CCCC1)NC(=O)C3=C2C=CC=CC2=NC(=C3)C4=NC=CC=C4,DFQJYZWSYDAOTK-ICSRJNTNSA-N
-CA4016E8155415D4_3F611D5B3ADF3DAC_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(COC2=CC=C(C(N)=O)C=C2)=O,AARKJDHYHVSLID-JTQLQIEISA-N
-CB3BBC4694E12B4A_415200F04D31BBCA_6028_UN,COC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CN=C(C)C=C3)(=O)=O,HSCQVFAJIRXYLO-HDJSIYSDSA-N
-CBA0F95324D2005A_924D3D8D76993963_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)N(C(C)=C3C(=NC(=N3)C4=CC=CC=C4)C)O,MPCLLLXXPISGBM-UHFFFAOYSA-N
-CD0E31BB66F1C669_27CBB77FA52EEDF5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CCC2=CC(=C(C=C2)[N](=O)=O)N(C)C)=O,DODWPRPNIWTDBQ-NSHDSACASA-N
-CDFBFF0D91D1D02C_BC4CA28341E13C58_6041_UN,OC(=O)CCC1=C(SC=C1)NC3=C2COC(C2=CC=C3)=O,RBLWLJSFIJGEFO-UHFFFAOYSA-N
-CE8835FF6510093B_96A1B0DA3D8140C6_6028_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=CN=C(C)C=C3)(=O)=O,UKYUSFZQYVXJMB-GASCZTMLSA-N
-CE88CCE5069CB22A_C3D665C4B730E923_6029_UN,C1CN(CCN1[S](C2=CC(=C(O)C=C2F)[N](=O)=O)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BACNIQQGEHCLSW-UHFFFAOYSA-N
-D06B87EBE1C9C8B2_CF6CB4B6CD31136E_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=NN=C(C)C=C3)(=O)=O,QQLRLNNPQNVFSW-GJZGRUSLSA-N
-D1871DD76DDFAAAD_0D29D796B2442D96_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,OKYCNWHPEXJJRV-GFCCVEGCSA-N
-D350AB32C3E79C03_A06FF7E1015BD1E9_6038_UN,C[C@H](OC(C1=C(OCCC)C=CC=N1)=O)CC(=O)N(C)C,VYRZRTVORFOSSS-NSHDSACASA-N
-D376094A4B780E30_EB0DCA5524BAC6B3_6039_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OCC2=NOC(=N2)C,DLVZDMMCJQYQNI-UHFFFAOYSA-N
-D3F8544983480504_D7EA4BD5A0CE63BE_6041_UN,CC1=C(N=CC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)O,RRNOHBGVTFYJAC-CYBMUJFWSA-N
-D46D1AB9CEB0DD87_6AF60BB36F5136BD_6038_DP,CC(C)[N]1N=NN=C1C2=C(C=CC=C2)NC(C(C)=C3CNC3)=O,HQNUWXIVKVZNKJ-UHFFFAOYSA-N
-D6A1F04851E3EFEC_F0BF4842C57CAD55_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(OC(F)F)C=C3)CCl)(=O)=O,FQKAJLHSJBFKBH-UHFFFAOYSA-N
-D6D56117C1014848_887B6AE01CF506C4_6038_UN,N(C1CC(N(C1)O)=O)C(C2=N[N](N=C2C)C3=CC=C(C=C3)F)=O,QYQIPJFDRJTCQM-UHFFFAOYSA-N
-D70F9A1C85BF1AB0_F8206E7AED30E1B5_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3CC(C)(C)[S](=O)(=O)C,CYMHCWKXYZBZHG-UHFFFAOYSA-N
-D8D6939EE35994F5_BDA5FCB1C4A8CB6E_6026_UN,ClC1=CC=C(O1)[S](=O)(=O)N(C2CCC(CCC)CC2)C(C)C,QVAVKQVFYIAFLL-UHFFFAOYSA-N
-DA031C418BCC7F05_C8FBC6073C9459DB_6029_UN,CC1(C)CN(CCN1CCO)[S](C2=CN=C(OCC(F)F)C=C2)(=O)=O,OVMBMQBLZJNUCK-UHFFFAOYSA-N
-DA154256BCB25607_10C46204258ED9A5_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C)C3(CCCC3)C4=CC=CC=C4,QRVYVPDMVRLZOX-UHFFFAOYSA-N
-DB6DCA737BD13896_6CFA42EC2796C2BA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C5CCCCC5=NC=C6)(=O)=O,GMCHVNPYSMPCFC-UHFFFAOYSA-N
-DC6A146D4A1F16E2_5AB4676C4C64B6DA_6041_UN,CC1=C(C=NC(=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)[S](=O)O,IDYYQHODVSYNJE-GFCCVEGCSA-N
-DC943489C591860B_5374EB8F7BB78AE4_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=C(OC(C)C)C=CC(=C3)[S](=O)(=O)N4CCCCC4,UJTMEGSSEIIEIY-UHFFFAOYSA-N
-DF547EF142EAB6E5_3277FD6EB33B03A3_6038_UN,CC2=N[N]1C=C(C=CC1=N2)NC(C[C@H](C)C3=CC4=C(C=C3)OCO4)=O,ZLDGHCFCDSWYSI-NSHDSACASA-N
-DF9B32F35B800756_28EE080DA10F1892_6038_UN,N(CC1=CC(=NC=C1)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CN5CC[S](=O)(=O)N=C45,DQRTVMKOCBQWQD-UHFFFAOYSA-N
-DFF7E6209847EF79_3802D6B14A67ABA0_6029_UN,C#CCN(C1CCC1)[S](C2=CC=CC(=C2)C(C)Cl)(=O)=O,KJQZMCYKXBWUJE-UHFFFAOYSA-N
-E14B5591A901D6AE_AD1E5FA2D7ADB8A9_6038_UN,C[C@H](OC(C(CC)[N]1N=C(N=N1)C2=CSC=C2)=O)CC(=O)N(C)C,BZKLJANNPBYQAE-NUHJPDEHSA-N
-E1F2253E378090A0_CA12C23782940F7C_6038_UN,N(CC1=NC=C(C=N1)C#N)C(C2=CN=[S](C)(C=C2)=O)=O,UGOPWORYEGWZOD-UHFFFAOYSA-N
-E1FEC53DD0A92EF8_3DB1CC99FDC9AC7B_6038_UN,CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=CN=C3)C#C,TXPGUQHBDDFROV-UHFFFAOYSA-N
-E1FF37D3EB69AA17_2846B5045FFB96E1_6029_UN,CC1=C(C=CN=C1)CCCN[S](C2=CC(=CC=C2)C3CC3)(=O)=O,VULYCKYHUZYCRN-UHFFFAOYSA-N
-E3A97ED76CAAE19D_94CBADD2D94D202E_6029_UN,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C3=CC(=CN=C3)C#C)(=O)=O,LDOOQPGZWANCGK-UHFFFAOYSA-N
-E3E3E79D7951408E_0821CDD9EA94527A_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C(N2CCOCC2)C3=CC=CC=C3,XKOXVLLTMKVKSV-UHFFFAOYSA-N
-E4414FFD066F01A6_671EB28091E1FBDB_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN(C)C(C(=C4)C)=O)=O,UCNUSUBPKAWPTQ-UHFFFAOYSA-N
-E458EC93AB1F321E_9E69B8A7E992D58E_6038_UN,CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)[N](=O)=O,HJNATRFPKQUKOW-UHFFFAOYSA-N
-E4CD2E7D13A8B518_FF66BFDDE1E802BE_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CN=C(C=C3)Cl,CEVIVJAYMOAEMA-UHFFFAOYSA-N
-E518FAC6A3897673_ED11C2E59C265053_6005_UN,F[S](=O)(=O)C1=C(C=CC=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,URKZTLFCMUKIJU-UHFFFAOYSA-N
-E62C9AB32EB6E64D_367FA7612924113B_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC(=CC=C3)F)=O,WDVDRDIYVWRZEU-UHFFFAOYSA-N
-E6490C7B9F5BB6B4_5E3902D4962B781A_6038_UN,N(C1C2=C(OCC1)C(=CC=C2)C3=CC=CC=C3)C(C4CCN([S](C)(=O)=O)CC4)=O,NWZMUWGYZDMUSU-UHFFFAOYSA-N
-E69CB905FF197ED1_3D09EC7296B0728B_6038_DP,CC(C)[N]1N=NN=C1C2=CC(=CC=C2)NC([C@H]3CSCN3)=O,PDSLMTNXGWSAQR-GFCCVEGCSA-N
-E6EF353B63667ADE_99A6F6E4DCDCA92A_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC2C(C)COC3=C2C=CC=C3,FCAVIDMIHVJJGJ-UHFFFAOYSA-N
-E73085590358A30D_A25AFEE568CD49FE_7019_UN,CC1=CC=C(C=C1)CNC(=O)C=CC2=C(CO)C=CC=C2,LXZGVMGEYRZHSS-UHFFFAOYSA-N
-E846AD1697F51734_AD78991D68D5DA4B_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(=O)COC2=CC=C(C=C2)[N]3C=NN=N3,PBSUGLHCVXOXKJ-UHFFFAOYSA-N
-E8B2E891635D106F_29747FDEF2A4A1E0_6038_DP,CC(C)[N]1N=NN=C1C2=CC(=CC=C2)NC([C@@H]3CSCN3)=O,PDSLMTNXGWSAQR-LBPRGKRZSA-N
-E90261B93FAB7E63_EF00F2CF40AB831A_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C3=CC=CC(=C3Cl)C)(=O)=O,HVXFCZCQGPNTAC-UHFFFAOYSA-N
-EA3B5A5D13921390_4A7293FA804C1BD1_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,HWPMEAZNJMQNJG-LBPRGKRZSA-N
-EAF1D34ABC976435_03B2EF32E153265A_6038_DP,CCC1=CC(=CC(=C1)NC(C2CN(C)C(CN2)=O)=O)CC,LXYBWLULKMIYKC-UHFFFAOYSA-N
-EB1EE3B994E42917_B0C94E98D4B69A2D_6029_UN,N(C1CC(C1)(O)C2(CCC2)O)[S](C4=CC=C(OC3=CC=C(C(C)O)C=C3)C=C4)(=O)=O,NDSHBBWOYMXUJR-UHFFFAOYSA-N
-EC70A85B8CC0AB86_90D8CA53C8400B87_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC4=CC=C([S](N(C)C3CCCCC3)(=O)=O)C=C4,RWRZOSMYZHURLV-UHFFFAOYSA-N
-ED104169460D00AE_E2C9E629B125AA80_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=CC=C3)C(F)F,KQYNNHUEMHPPGC-UHFFFAOYSA-N
-EDE1EFECCEB418C7_068FF258646E8D86_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=NN=C(C3=CC=NC=C3)[N]4C5CC5)(=O)=O,QPTCBOCPCXTULL-UHFFFAOYSA-N
-EE211A479609C117_E0B8CBEDB4E31A42_6029_UN,COC1=CC(=CC=C1)C2(CCC2)N[S](C3=CC=C(C=C3)C4=CN=NC=C4)(=O)=O,NNZJKDKNFRBCFA-UHFFFAOYSA-N
-EE50E52DCD072E80_BDF1AAEA25DE015C_6041_UN,C1(=NC2=C(C=N1)C=CC=C2)NCCC3(C[S](C)(=O)=O)CC3,HGWXWGSBAQPFBH-UHFFFAOYSA-N
-EEB11FE525C77DBE_F3591BAA6B0D5D6B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CSC(=N3)Br,SJCXECXDXMLJTL-UHFFFAOYSA-N
-EF25843E4295E908_117F538F0EF3BFDD_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=NN=C(C3=CN=CC=C3)[N]4C5CC5)(=O)=O,OJKJFFVIWVHOCE-UHFFFAOYSA-N
-EFF2F124403CB57B_73C2085E5E7A98BE_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C4=C(OC3(C2)CCC3)C=CC=C4,GDNSKBAWXDAXCQ-UHFFFAOYSA-N
-F0A3D71BFD62F310_3AA5F5D3A35B5486_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC(C)C3=CCN(C)CC3,VREQJSBLQWPCMO-UHFFFAOYSA-N
-F17BCC552B84AB45_91D756781ADE6872_6005_UN,ClC2=C1C=C(SC1=NC=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,XQHGDVOIXIVWTB-UHFFFAOYSA-N
-F268E8D34B4014B7_A757AFD9D3328819_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(N=CC=C3)Br,FTCODNXVIUIYTI-UHFFFAOYSA-N
-F2DBEDA806DEC7BD_73455D9B2DC59ED4_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC[C@@H]3CCCN3C4=CC=C(C)C=C4,FOXAJAXILKYRLD-KRWDZBQOSA-N
-F2E0DA1E374AB2D2_EF04953C4C5F49F9_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCC3)C)C4CC4)I,BHQWMNKFECXFTQ-UHFFFAOYSA-N
-F2ED57C8AA75F2F2_39A52417C22E8EEC_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=CC=CC(=C3)C4=NN=C(C)O4)=O,ZZDWEIXYUTWVAR-LJQANCHMSA-N
-F37F705D63E043C0_06F40358C7423FFC_6041_UN,C2(=C1N=C[N](C1=CC=N2)CC3=CC=CC=C3)NCC4(C[S](C)(=O)=O)CC4,DGURNDCIYKIEMU-UHFFFAOYSA-N
-F5D5ABF5E51170B6_BB6CFD893411988A_6029_UN,C1CN(CCN1[S](C2=CC(=CC(=C2O)[N](=O)=O)Cl)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,BZOZNKJVAJNVNS-UHFFFAOYSA-N
-F676D22D1D408983_B3B7BE086EDE93B0_6041_UN,OC(=O)C2=C1C=CC=C(C1=NC(=C2)C3=CN=CC=C3)NC[C@@H]4OC(OC4)=O,UOOHJCSVWIQQBJ-LBPRGKRZSA-N
-F6DF57E0C47A3C80_535954E466B17926_6029_UN,CN(CC1OC(OC1)=O)[S](C2=C(CC(OC)OC)[NH]N=C2)(=O)=O,UDPUWOVUGRUXNQ-UHFFFAOYSA-N
-F83D0C4CF4221AC6_47A132A5A4600F02_6005_UN,Cl[S](=O)(=O)C1=C(C=CC=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,XJLBUZLFXWOCLW-UHFFFAOYSA-N
-F8C0EF2A4953BDE6_98713E1C94277D35_6029_UN,OCC(CO)C1CN(CC1)[S](C2=C(CC(C(C)C)O)C=CC=C2)(=O)=O,VSZBZBXGSGACCM-UHFFFAOYSA-N
-FA17A95171FD0796_A0B3B798C93C1F57_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN(C)C=CC4=O)=O,YVGUYGANEPRNPE-UHFFFAOYSA-N
-FA378853B7DE18E3_9F51F97A69209F54_6038_UN,CC1=C(C=C(C(=C1)NC(C3CCN(C2=NC=C(C(N)=O)C=C2)CC3)=O)[N](=O)=O)C,RORAPDLPYJPDRR-UHFFFAOYSA-N
-FA459674645B4DA1_20DE6FBFD0071047_6038_UN,C[C@H](OC(C1=C(CC(OCC)=O)N=CC=C1)=O)CC(=O)N(C)C,GJUHGMOWRBOORY-NSHDSACASA-N
-FBDEBC4E2565D926_67B964444ED33B0C_6029_UN,N(C(CB(O)O)C(=O)O)[S](C2=CC1=NC(=C[N]1C=C2)C#N)(=O)=O,XBAGPPYQMAETDG-UHFFFAOYSA-N
-FBE920357EAA158A_8867FDF77B196BD9_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=C[N]3C4=CC5=C(C=C4)OCCO5)(=O)=O,CQLSAILSWKBNNE-UHFFFAOYSA-N
-FFA3666864DB8953_73949337ED8EB6B5_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C(C)[N]2C3CC3)(=O)=O,CRORNNDSHYFROR-UHFFFAOYSA-N
-rxn:1:60315:38541,CCOc1ccc(C(=O)N2CCC(n3cc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)nn3)CC2)cn1,WKVCVJLRMHGVOZ-UHFFFAOYSA-N
-rxn:1:62824:35575,CC1(C)C[C@@H]1C(=O)Nc1cncc(-c2cn(CC3CC(=O)N([C@@H](C(=O)O)C4=CCC=CC4)C3)nn2)c1,HAHDEDRJGYIEBF-JRAJRYKFSA-N
-rxn:1:64994:13567,CC1(C)CCN(C(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ncccc5C(=O)O)C4)nn3)c2)CC1,NRPCLXKGLIRTTD-UHFFFAOYSA-N
-rxn:2:117352:131663,Cc1cccc(C(CCS(C)(=O)=O)NCC(c2ccc(C3CCCCC3)cc2)C2CC2)c1,QTSJFIQYNPTPCO-UHFFFAOYSA-N
-rxn:2:138627:160157,CC1CCN(CCC(N[C@H]2CCOc3ccc(S(C)(=O)=O)cc32)c2ccc3c(c2)OCCO3)CC1,XKCSFSPWDOJGAM-CGAIIQECSA-N
-rxn:2:139988:100289,CC(C(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1ccc2c(c1)OCO2)N1CCCC1,WSHBTGKKGWQVBF-UHFFFAOYSA-N
-rxn:2:72192:154346,CC1(C(NCCC2CCN(c3ccc4c(c3)OCO4)CC2)c2cccc(S(C)(=O)=O)c2)CC1,GDNZKQOOCMHVNS-UHFFFAOYSA-N
-00140A101D0CF800_A91489DDFE64CCBC_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,PMAYSERCWOCWFU-UHFFFAOYSA-N
-013C80297AAD70B7_7F986A6B74F8B2E9_6003_DP,N3CC(OC2=CC=C1C(N(C(C)C(=O)O)C(C1=C2)=O)=O)(C3)C(Cl)(Cl)Cl,NSBOHHJWOKELSV-UHFFFAOYSA-N
-036B31BAA8131F3E_A50057B3EFDF895A_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NC=C(O)C=C3)=O,HZLYKXAJNLMWDD-UHFFFAOYSA-N
-047FDC707C85D82B_DE99F57E4CD95C98_6003_UN,CC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)C2=C(C=CC=C2)C3=CC=CC=C3,WGACNYWLFVJYOD-UHFFFAOYSA-N
-04B194538F63CECF_CA94E511EB23D3A5_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C2=C(C(C)C)[N](N=N2)C3=CC=C(C=C3)C)=O,OPHDWPSMIPLPBL-UHFFFAOYSA-N
-05BCFDC48915F635_7BC8E8F628F2E08B_6038_UN,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C(CCCC(N(C)C)=O)=O,SFPQBICCVUTFER-UHFFFAOYSA-N
-05C81A3431CF29B5_6F734A2D87886EA4_6041_UN,CC1=NC(=CC=N1)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3,DNBSODVWMSPJST-UHFFFAOYSA-N
-063CC5DC3BDDF470_A9010AE72CDBC5F3_6039_UN,O(CC1=CC=C(C=C1)C[N]2C=CC3=C2C=C(C=C3)[N](=O)=O)CC4=C([S](F)(=O)=O)C=CC=C4,KXVCUERSUMTGKA-UHFFFAOYSA-N
-069605C0F59202D9_3204A9A6C7ADC7D6_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CNCCCC4,CZHHKLOJJYSDJH-UHFFFAOYSA-N
-07AE24C6311F6174_30380EA13BC4554D_6038_UN,CC2=CC=C(CNC(C1=C[N](CC(N(C)C)=O)N=N1)=O)[N]2C,YPNUJHZUGYJGEY-UHFFFAOYSA-N
-08A146455B9DE3D0_06B171E9828ACB8B_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O)C,BAEUFMVIBGQWOC-UHFFFAOYSA-N
-08A7A6C9DF02E80C_9951F32EE04286A4_6029_UN,N(C1=C(CCC1)C#N)[S](C2=CC=CC(=N2)C3=CC=C(Cl)C=C3)(=O)=O,RRXNUUWENKFOBN-UHFFFAOYSA-N
-08EFF60B6F155A1B_80BE2D51F5D0E05B_7013_UN,N2=C(C1=CC=C([S](Cl)(=O)=O)C=C1)[N](C3=C2C=CC=C3)CCN4CCOCC4,TUCMAACYXTVZRJ-UHFFFAOYSA-N
-09D71AC81B640D67_E41F15C6B8AC7700_6038_UN,O(C1=CC(=CC=C1)C2CC2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)O)F,YAFKPKHBTZTCIE-UHFFFAOYSA-N
-0BA73DFC0E6EEA62_803125878301207B_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,HYDGSOYEJIEZMN-UHFFFAOYSA-N
-0C0C99088347B1FC_AFD4CD42CE11E86E_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(COC1=C(F)C=CC=C1)[N]2CC=C)(=O)=O,RIQQOEPAHTYPTK-UHFFFAOYSA-N
-0CF40368E8A10F4F_F4CD279CB5665DFC_6029_UN,CN1CN(CC1=O)[S](C2=CC(=C(OC)C=C2)[S](=O)Cl)(=O)=O,JDKPIUFTOONSEC-UHFFFAOYSA-N
-0D87C24876AA20B4_68168D25AC099535_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=C(C=C(C3=NN=C(C)O3)C=C4)F)(=O)=O,IHBSIOJVKDCYFD-UHFFFAOYSA-N
-0E9F1059B5754484_D46D75F7BA9DC531_6003_UN,CC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)C2=CC=C(C=C2)C3CC3,UWASSZRRRFTDGM-UHFFFAOYSA-N
-0F23FB841191B7CD_F60ED3279A0919B3_6041_UN,CC(=O)N2CC[N]1N=CC(=C1C2)NCC(N(C)C)C3=C(C=CC=C3F)F,JYZATOAALKBRBI-UHFFFAOYSA-N
-0F94725CF2AE84FA_239CD58FCA231562_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3C[N]2C(=NN=C2C)C3)=O,KEEAGTSNFCZPNJ-UHFFFAOYSA-N
-0FA7267651B77970_45A12C72F086688A_7017_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Br)CC3)C,NHEWGMOUGYYCOV-UHFFFAOYSA-N
-10CFBA941B344724_0825B09109F1C9CD_6029_UN,C=C1CN(CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,ORELEIRLGDHDHF-UHFFFAOYSA-N
-11201584B38A956E_CFB72C986284D2DE_2875_UN,C=CC(=O)NCC[N]1N=NC(=C1)C2=CC=C(CO)C=C2,LXPXYUGUERXGIQ-UHFFFAOYSA-N
-1223F5A3769C2149_C3277E800095ECCA_7015_UN,N(C1=CC=C(C=C1)C2CCCCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,ZZEFVOACOOSQBW-UHFFFAOYSA-N
-12DFE9BEED7E5557_0077FDC8413E90CD_6035_UN,O(C(C1CC1)C(F)(F)F)C2=C(C[S](C)(=O)=O)C=CC=C2,ZHROTJUYTSJHOJ-UHFFFAOYSA-N
-13089B8607D2FBEA_2F8A8BD22315955D_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC3=C(OCCC3O)C=C4)(=O)=O)C,VCALWCMQQLYMQA-UHFFFAOYSA-N
-13CCF93E1BE2BD34_7EA63341A143FBDE_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2F)OC,GRPWNLKXIRGFDB-UHFFFAOYSA-N
-13E1F75D47EBE8F2_579051C1CB572496_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=C(CCC)C=CC=C2)(=O)=O,FKMQPAYIKVNNMQ-UHFFFAOYSA-N
-14B5C966DEA2C45C_C3D68D70AC2CC512_6026_UN,CC1=C(C(=CC(=C1)[S](=O)(=O)N3CCN(C2=CC(=NC(=N2)C)C)CC3)C)F,SFTHHYGTNCDDKK-UHFFFAOYSA-N
-1579B76815176B0E_42B00FD057F659D7_6038_DP,N1CC(C1)C(NC(C2=C(CO)C=CC=C2)=O)C3=CC=C(C=C3)F,KAQHLMXMGHONRC-UHFFFAOYSA-N
-16151D175491787C_8BC14789C3C35AF5_6003_UN,O(C(CC1=CC=CC=C1)C(F)F)C2=CC=C([N](=O)=O)C=C2[S](=O)(=O)Cl,VLVBHHNGZQAPSF-UHFFFAOYSA-N
-17118530CBBB68BF_31966A162C9AA75F_6038_UN,CC(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CCC2=CC=C[N]2C,LRKWHOWGOHOEFL-UHFFFAOYSA-N
-1906A78B18092F0B_D75E9B73519C02FD_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,SACORWZSLGBVMZ-UHFFFAOYSA-N
-191F358792A9A7B9_B26C2C66785F0FD1_6038_UN,N(C1=CC(=CC=C1)N2CC[S](=O)(=O)CC2)C(CCCC)=O,INGAZEXVFORRTP-UHFFFAOYSA-N
-19B8148DA9966DE4_7EF8FCFFDF62DEA8_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=CC=C3Cl)[S](=O)(=O)Cl,JDHGRBIEDPEKKO-UHFFFAOYSA-N
-1A4CACCC1B765487_90320F98A8E02ACE_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3C(C2=N[NH]C(=N2)C)C3)=O,HLUDYSFEQAELJV-UHFFFAOYSA-N
-1A78E7726B67451F_3DB374E21363181D_2875_UN,CC1=C(C=CC(=C1)Br)[N]2N=NC(=C2)CCN3CCN([S](C)(=O)=O)CC3,IFINPJVNNSPSRG-UHFFFAOYSA-N
-1CAC29C5FB55C2AE_21FCE3B5A2E46711_6035_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C3=C(C[S](C)(=O)=O)C=CC=C3,XWTIDWOAUWBUEW-UHFFFAOYSA-N
-1CC163F705D3FC64_2E1AD8C4337D5DD0_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CN=N[N]2C3CNC3)=O,JMQKPPQIOUHKFY-UHFFFAOYSA-N
-1D0A01651DA4752A_29A595B1FD41A773_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,DXOITXRZBSCSGS-UHFFFAOYSA-N
-1DBBA6FFE65D5025_305D57C6632D8C9B_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC4=NC=C[N]34)(=O)=O)C,JEUYAUAWNQHGFZ-UHFFFAOYSA-N
-1E911BA99231A9D7_9C268D51F628E9C1_6034_UN,C1CCC2=C(C1)N(C3=C2C=CC=N3)CC4=CC=C([S](C)(=O)=O)C=C4,SEJWQTJNZAHWPY-UHFFFAOYSA-N
-1E9B838C4D53C753_5FE785071B7D9713_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=C(C=C3)O,NLKGITBGRKUVFV-UHFFFAOYSA-N
-2183138CB458FE0B_88BE15E9722B7F00_6035_UN,CC(OC1=C(C(CC(C(OCC)=O)=O)=O)C=CC=C1)CN2CCNC2=O,ZCILXOMDKYFHTB-UHFFFAOYSA-N
-22A7F92ED49A98E7_0BBBC60593DB3EB2_2875_DP,CC(C)C3(C[N]1N=NC(=C1)C2=CC=C([S](F)(=O)=O)C=C2)CCCNC3,BHFQCMVTWVDFOG-UHFFFAOYSA-N
-23384FB24D35B576_5FB27BF7D122EFD0_6038_DP,CC1=C(C=C(C(=C1)OC(C2=CC(=NC=C2)N3CCNCC3)=O)[N](=O)=O)[S](=O)(=O)Cl,JJHTZHAZAWCFMO-UHFFFAOYSA-N
-25172E5281BEF022_B7AB8DAA91B1B88A_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3=CC4=C(C=C3)CCC4,OYTTXCKAAZGJCZ-UHFFFAOYSA-N
-251BCA5CCAA33742_C52A7B36318DA3E9_6038_UN,N(C1=CC(=CC=C1)OC2CC(=O)N2)C(CCC(N(C)C)=O)=O,MDJMFVWJXPTLSJ-UHFFFAOYSA-N
-28002B5F629A38BE_D7A14E1F4A238FB9_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)Cl)[S](C3=CC=C(C=C3)Br)(=O)=O,LRKYVGIYELIUHN-UHFFFAOYSA-N
-2921992A2B262D7D_2C32C916D69B1657_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,CPBWHRFNCCQMOD-UHFFFAOYSA-N
-29349BB1677AAB63_4BDA3DD82B493E0B_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N(C3(C)CCCC3)CC4=CC5=C(C=C4)OCO5)I,RPIQVZKMRKLTHH-UHFFFAOYSA-N
-29F5B51D73C5D58F_339797D24CFF0CF7_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)N3CC=C(C2=CC=C(CC)C=C2)CC3,RCCIMJBIULIQHH-UHFFFAOYSA-N
-2A63D039382CFACC_47B9C8E641C04CB6_6041_UN,FC1=CN=C(C=C1)C2=N[NH]C=C2NC(CCCC)C(=O)OC,RWZOUXRMGNBLBJ-UHFFFAOYSA-N
-2AA305802FD09402_E85E510AF4C1D80C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(CCC3=C([N]2N=CN=C2N=C3C)C)=O,JFJDBQPVSFNLCG-UHFFFAOYSA-N
-2B13674D999DF7B1_EFA0998EAD417779_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C[N]2C=C(N=N2)C3CC3,TXJZRPPXRRPJAU-UHFFFAOYSA-N
-2C1BB59E27642C63_36F2D69EDD8D4491_6041_UN,OC(=O)CCC3=NC1=C(C=CC(=C1)NC2=CC(=CC=C2)C(O)CO)S3,UCZVBLGQLAJIES-UHFFFAOYSA-N
-2C325AA35D5E25AC_DE71B9992241EACE_6036_UN,CC(C2=NC1=C(C=C(C=N1)Br)[NH]2)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,NYBXESKKRRBEHI-UHFFFAOYSA-N
-2CBB80D48235B672_CF6AC612BABA38B2_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(C=C(C)C=C3)C,JZWHRXLEUIGHJO-UHFFFAOYSA-N
-2D7AF567524417C9_B11E7E8B5283701C_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)F)CC3,OUPNIAQTPIRJSF-UHFFFAOYSA-N
-2E02C5E5FCD238DC_4908110D0807A95D_6029_UN,CN2CCN(N[S](C1=C([S](Cl)(=O)=O)SN=C1)(=O)=O)C2=O,DVYSRFUAHCITMO-UHFFFAOYSA-N
-2EB537219C8BE87B_B1AA5B325F2479AD_6029_DP,N#CC1=CC=C(C=C1)CN2CCCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,FAUHFSIFLLISHC-UHFFFAOYSA-N
-2F4E0EB7492DB9C6_4B4A8C0B82973E17_6039_UN,O(C(CCC1=CC=CC=C1)CC=C)CCC2(CC2)[S](=O)(=O)Cl,VOIUZFZKIDEXKJ-UHFFFAOYSA-N
-2F826BE2C01237D9_FA559E5F195004D6_6041_DP,C1(=CC=C(C=C1)C2=CC=CC=C2)NC3=CC=C(O)C=C3,OLAFDQXFJSLRGI-UHFFFAOYSA-N
-2FF05629ADA44E57_96784B2CE9C5DE62_6041_UN,CSC1=C(C=CC(=C1)NC2=C(C=CC=C2)OC3=CC=CC=C3)C(=O)O,DSOUTMBWCKNWFD-UHFFFAOYSA-N
-3015A03803333667_9EE8EB19823D6872_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,CXEYIRNEWGUQLD-UHFFFAOYSA-N
-303C696AB9CC836F_34E00C2EB372468D_6039_UN,O(CCCN1C(=O)CNC1=O)CC(C2=CC=C(CNC(C(C)(C)C)=O)S2)=O,TZEYDNUDPBUXPE-UHFFFAOYSA-N
-30D9C81536D1D1D3_12A779B8929C8680_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)CC(C)N3CCC4=C3C=CC=C4,IDUFDLJHMHWNMR-UHFFFAOYSA-N
-30FCADC248E58C91_F8FDABAE5C684CDC_6031_UN,CC(=C(F)C(=O)OCC1=C([S](C)(=O)=O)C=CC=C1)C2CC2,FFWSMJUQELCOKF-UHFFFAOYSA-N
-312C0A408AD1F3D4_7E545F080A4B96C6_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(=O)C(=CC3=CC=CS3)[N]4N=NN=C4C5=CC=CC=C5,XFFIVKQCFVLPDB-UHFFFAOYSA-N
-31D278CBAAD3C505_F2FB0859CF3CAAE2_6029_UN,N(CCC1CC1)[S](C2=CC=C(C(OC)(C)C)C=C2)(=O)=O,CZNQPGXEHOKEBS-UHFFFAOYSA-N
-31D2E9FA667BC859_E1E070F15FD2382C_6028_UN,N(CCC1CC=CC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,WQAZJHCZTNBBKT-UHFFFAOYSA-N
-3238DE047A667E68_7DE55CCBC486EA9F_6038_UN,CC2=C(NC(C1(C(C)=O)CC1)=O)C=N[N]2C[Si](C)(C)C,HCYUDPAARDLAGS-UHFFFAOYSA-N
-33E44BBD84B352EE_4A259E89649644D8_6029_UN,CC(C)N(CC(O)CO)[S](C2=CN=C(N1CCN(C)CCC1)C=C2)(=O)=O,LDOQMHJUUCDBHX-UHFFFAOYSA-N
-3436DAD611EC0848_80C8B7A47C95D5C4_6035_UN,CC(OC1=C(C=CC=C1)C2=NNC(=O)CO2)C[S](=O)(=O)O,LYRFWIWEZPUTRJ-UHFFFAOYSA-N
-34C41E26349DF293_91399AE41409E94A_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CCC(C)(C)C(C)(F)F,SDHVWHOCBZFHSE-UHFFFAOYSA-N
-3645F3D93DE73A0B_6FDBA64C8010F408_6038_UN,N(C1=CC(=CC=C1)F)C(C=CC2=CN=CC(=C2)OC)=O,RBFWQJIAHMUPJA-UHFFFAOYSA-N
-376889E343BB4D66_10551B39D059CCBB_6026_UN,CC[N]1N=NC=C1[S](=O)(=O)NC2=C(C)[N](N=C2)C[Si](C)(C)C,DEUMEDMEQMDSOY-UHFFFAOYSA-N
-37A51B8B202B9CCD_88A5EB7FC01C730C_6038_UN,C[N]1N=NN=C1C2=CC(=CC=C2)NC(C(OC)(C)C3CC3)=O,XDOCBNWXCWCLIX-UHFFFAOYSA-N
-38611E721F0E8272_D883AEDB5F5CC8ED_6041_UN,FC1=CN=C(C=C1)C2=N[NH]C=C2NC(CCCCC)C(=O)OC,XJAMJJJWOSQYSG-UHFFFAOYSA-N
-3A445FE15BEA885C_429D0DA2F4EAF385_6038_UN,NC(=O)C1=C(C=CC=C1OC(CN2C(CN(C)C2=O)=O)=O)F,LBUQVUNTDBQHSH-UHFFFAOYSA-N
-3CD2595E50B33546_6E63D0D16D9DC64D_6003_UN,O(C2(CC1=CC=C(C=C1)F)CC2)C3=CC=C([S](C)(=O)=O)C=C3[S](=O)(=O)Cl,SCDUACMMWFEMIQ-UHFFFAOYSA-N
-3D2B2157E9204775_3A7FB2F0BA9A268A_6041_UN,C1(=C(C=CC=C1)SC2CC2)NC3=C([P](C)(=O)C)C=CC=C3,LPDDWNYAUYKLPW-UHFFFAOYSA-N
-3D6F2BDB14732AF6_B8CA00C04E51B778_6026_UN,CC1=C(C=C(C(=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3)Br,IOBMBIWUMZZOAJ-UHFFFAOYSA-N
-3E8016C64441DFFF_2055DD8BBF39FF4F_6038_UN,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C(CCCC(N(C)C)=O)=O,MKNBPEBDHNXAAD-UHFFFAOYSA-N
-3EC684D3E02B2338_45E68B0356423894_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=CC=CC(=C2)OC(F)(F)F)(=O)=O,WMQNRUGJIYOVOF-UHFFFAOYSA-N
-3F7B587870BEBA1D_894D49B702CCEC76_6034_UN,SCCC1=CN(C2=C1C=CC=C2)CC3=C([S](C)(=O)=O)C=CC=C3OCC(F)(F)F,JVUSXLISXCMLKG-UHFFFAOYSA-N
-41F29442639B7E6E_89E2795EAEC823BB_6034_UN,ClCC1=NN=C2C(=O)N(C=C[N]12)CCC(CC(C)(C)C)N,BIEJDJHYEGOOIM-UHFFFAOYSA-N
-4237920C067BE417_32859968CE335A05_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O)F,LIPLLDOCXJIRFN-UHFFFAOYSA-N
-4263757F1B887C98_3AE7DC80B9BE6101_6029_UN,C#CC1CN(C1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,OSRNDGGECGOGDP-UHFFFAOYSA-N
-4374AC185C8173F5_CA9C14884E4EC7EF_6039_UN,O(C(C1CC1)C2=CC=CC=C2)CC(OC)C3=CC=CC=C3,WUQGIZZBMSEHAG-UHFFFAOYSA-N
-43EBCA58E6DBDE6B_54C40C68811895BD_6038_UN,O([C@H]1CCCOC2=C1C=CC=C2F)C(=O)CC3=C(C=CC=C3)C[S](=O)(=O)Cl,LRTQXODJCBAFOX-KRWDZBQOSA-N
-4486CF9AB58843E2_06BD7FFE01F50181_6029_UN,N(CCC1(F)CCC1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,JHXMWVRYYPJVEM-UHFFFAOYSA-N
-45E42EFE95C2E3BF_E56EB0901C43D6A6_6026_UN,ClC1=C(C=CC(=C1)I)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,HEQRRVWCMANWOL-UHFFFAOYSA-N
-46A30F163F7B9563_39969F223BD0EE9C_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=CC=CC(=N2)Cl)CC3,WGXAOGNYNHGHTP-UHFFFAOYSA-N
-475D0181A445D653_EBAC850FA9CDEF2B_6038_UN,CC(C)OC1=NC=C(C=N1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,JGMDIYNWWSSPEL-UHFFFAOYSA-N
-484607DD686CEBB5_58958C4EAACA9A5D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CCC2=NN=N[N]2CC3,KOPOCEXKZUTDIK-UHFFFAOYSA-N
-49151F4409A589FF_C3136A0392B8119E_6029_UN,C1CC(CCN1[S](C3=C2N=NSC2=CC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,WGMPDIWOVAHVPW-UHFFFAOYSA-N
-49AEB1A7F746CE60_B2DDAD28F9EDDE5F_6029_UN,CC(C)CN1CCN(CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,WEGBRMGZOBYSPS-UHFFFAOYSA-N
-4BA9D15E44424ED5_328A749BC93FAF68_6038_UN,CCC3=NN=C(COC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)S3,SNXOLGLTTJFTFT-UHFFFAOYSA-N
-4D72465171EBDF00_38660D0A4DBC7857_6003_UN,O(C1=C(C=C(C=C1)Cl)C2CC2)C3=CC=C([S](C)(=O)=O)C=C3[S](=O)(=O)Cl,HDJRYMRNQCQRJD-UHFFFAOYSA-N
-4E72F83576AAE510_8356A8C9AA68F63E_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C(C=C3)C(=O)N4CCC(=O)CC4)C)(=O)=O,XRYCKMBCIXZINU-UHFFFAOYSA-N
-4F5C23A930666D2A_E77C31D0D17ADD53_6038_DP,O(C2=C(C=C1C(CCOC1=C2)=O)F)C(C=CC3=CC=C(C(O)=O)O3)=O,NTLQAQCXYCKZIM-UHFFFAOYSA-N
-501A042FFFB33662_A232C037DDDB5196_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)N2CCOC2=O)NC(=C(C(OC)=O)C(=O)CCl)C,NPTPTIHSDISQPZ-UHFFFAOYSA-N
-5120140D9DADA0CB_827C975372D1F717_6004_UN,CC1=NC(=C(C=N1)C2=CC=C([Si](C)(C)C)C=C2)C3CC3,PIORGBWDNUHOKL-UHFFFAOYSA-N
-519C7808C9E879F1_AB96BB5EB0ED4183_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,MUYOBQXDKNXZJT-UHFFFAOYSA-N
-53412D63F0D178E1_C573F3B1916D77E6_6026_UN,FC1=C(C=CC(=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,YUTRGGISXWOMHJ-UHFFFAOYSA-N
-53DDD30655FC6634_95884FA5D2048219_6026_UN,FC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,ZXDCDXYAQXLIOE-UHFFFAOYSA-N
-5446D91937F4D30E_81EBE2F4D5E3BACF_6026_UN,CC1=CC(=C(N=C1)F)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,CYOMMDQQVMSPBY-UHFFFAOYSA-N
-5457BE5BBCA18158_62C74ECEF802E117_6026_UN,CC1=C(SC2=C1C(=CC=C2)F)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,VPJCTLZGHYKTCK-UHFFFAOYSA-N
-5654BAD5263294EC_802ECE775422AB56_6029_UN,ClC1=C(C=CC=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,XLKLHJRSMMEMTA-UHFFFAOYSA-N
-5783A671593488CB_87A114406991AE63_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=CC5=CN=N[N]45)(=O)=O,YNNDGRBQCNVGAD-UHFFFAOYSA-N
-57CC6DF6B77A0F30_B6C258E4F383CBCB_6038_UN,N(C1=CC=C(C=C1)[N]2N=NC3=C2C=CC=C3)C([C@]45C[C@@H](OC)[C@H]4C5)=O,BYPISLJOFAWEGA-LSBZLQRGSA-N
-58278BAB6FF1D137_8A72E3F40F25039B_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,MTPNMPOQKGQRFW-UHFFFAOYSA-N
-59475577425D4A12_8D9A9AE8B31659BC_6038_UN,CN1CCN(CC1)C2=C(C=C(C(=C2)F)Br)NC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,QQOMZBYRIWFUER-UHFFFAOYSA-N
-5988186759E5B1FE_769DC290CCF20D51_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(N)N=C(N=C2)C3CC3)=O,VCCMLRYQWXUTPZ-UHFFFAOYSA-N
-59B2A0B4F028851F_59DA7C346CB3CF96_6034_UN,O=[N](=O)C1=CC(=CN1C2=C(C(OCC)=O)CNC2=O)Br,USVHFEPSGUKZQD-UHFFFAOYSA-N
-5B3D15331F75F2B9_FB856938950DF3C1_6026_UN,CC1=C(C=C(S1)Br)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,WGSADSBYQAMUQF-UHFFFAOYSA-N
-5B4D7B72F293A60A_AA73B09B3E8E6180_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CN=N[N]2C3CCCNC3)=O,WBUFJSOYUOUOFD-UHFFFAOYSA-N
-5B6028C0E88B6EDA_2878DD7732200B21_7019_UN,CC1=CC=CC2=NC(=CC(=O)N12)C=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,NNCHNYYWYYOKGE-UHFFFAOYSA-N
-5B7F3D6B7B0AF078_CBFA1CA3673F6D2F_6026_UN,CC[N]1N=CC=C1[S](=O)(=O)NC2=C(C)[N](N=C2)C[Si](C)(C)C,IPYVOBZCDWLNAT-UHFFFAOYSA-N
-5B9E70CCE9DEEF3A_56F514AB4FE0F406_6029_DP,ClC1=CC2=C(C=C1)C(=CC=N2)N3CCN(CC3)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,XOCOEJOCANAESS-UHFFFAOYSA-N
-5D70D9E9DEBB3177_3EA01D7199E02A6B_7017_DP,N3([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)C4(CCNCC34)C5=NC=CC=C5,LLFMGLFUSMVQLK-UHFFFAOYSA-N
-5DA6BD523109E086_3C7BE0072CFC3888_6029_UN,OC(=O)C1=CCN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,REIDIWPMSZMTPO-UHFFFAOYSA-O
-5E430D611C1A99B2_CB0B98DD32516E3E_6029_UN,C1CC(CCN1[S](C3=C2SN=NC2=CC=C3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,LERSVDXUKCZOOM-UHFFFAOYSA-N
-5F3626617105D750_C7A5D3BDD48C0D59_6038_UN,O(C1=CC=C(C=C1)F)C(C2=CC(=C(COC)C=C2)F)=O,IESBSPKSRLJXQR-UHFFFAOYSA-N
-5FF7FE17CCD71E1D_071D319D2356BB2C_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,NPOKDNFJVYCYQZ-UHFFFAOYSA-N
-6105F48F2564BFAD_8FB96E59DA2628F9_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC(C(OC)(C)C3CC3)=O,VMYWRELTYVIKOK-UHFFFAOYSA-N
-6156A8C60E5E605E_BC2EF05D96C905E0_6003_DP,N2CCCC(=C(F)COC1=CC=C([S](C(C)C)(=O)=O)C=C1)C2,PDZURJQRYQITKZ-UHFFFAOYSA-N
-61B609A7D94B4F29_D3FAD26A280440C7_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(COC)C=C3)(=O)=O)C,DKXGOMBQGDAHKC-UHFFFAOYSA-N
-61EC04423A39C9E7_AED3198A7068F8AC_6041_DP,FC1=C(C=CC(=C1)NC2=C(CO)C=CC=C2)C(=O)C3CC3,XBAFAVLBCVMBGS-UHFFFAOYSA-N
-62F2AEE29F0C30CC_F6FEB87C389A6423_6029_UN,C1C(CN1[S](C2=CC(=C([N](=O)=O)C=C2F)OC(F)F)(=O)=O)C3=NOCC3,DXVOEFGBXMBIPR-UHFFFAOYSA-N
-639D979D7A45BB17_9CCF70ACE5391FAD_6038_UN,O(CC[S](=O)(=O)F)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,GZMLCAJOMPMDQK-UHFFFAOYSA-N
-657A089AFD477931_C6C7F70F7A85E99F_6029_UN,N(CC1CC(C1)C2CC2)[S](C3=CC=C(C(CC)(F)F)C=C3)(=O)=O,LXNZGVILRIYEQI-UHFFFAOYSA-N
-657C8B9DEA6BD65A_F095B54FD4ECAAAD_6029_UN,IC1=CC=C(C=C1)N2CCN(CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,BXVWKBCSIPPZBK-UHFFFAOYSA-N
-65AD7A41F619C267_E254C8FAC6295A85_6029_DP,O=C(N1CCN(CCC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC5=C(C=C4)C=CC=C5,BNXGZRQOTWRQGI-UHFFFAOYSA-N
-65BB7EF8D3518BC2_4BA4BA6FBBBE42BC_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,YPIPHVBOKDGXBE-UHFFFAOYSA-N
-668EC40218CE24F7_C86E2A3CDA03BBAE_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,QUZANMBIANGCRK-UHFFFAOYSA-N
-67685EF70C0CC13A_0F6DBCA77F494DB8_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@H]3C=CC[C@@H](C3)C(=O)O,AOHOZSUMBJGOMI-QWRGUYRKSA-N
-67E2B8CCC264B285_66BE133554DC77EC_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CCN(C)C)N=C1)(=O)=O,XJYSDYJPAVHBNG-UHFFFAOYSA-N
-68C2AE567D238468_683CC6809A7E0A49_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3([S](C)(=O)=O)CCOCC3,COPBVZIUEVOUAU-UHFFFAOYSA-N
-68DF7AEFD48FEC48_9BE22FC310EE1C84_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=C([N](=O)=O)SC=C2)(=O)=O,JHWMGYLTXJUBOJ-UHFFFAOYSA-N
-69C3D0A4C0F8715C_DB4C5C00D1B4731F_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC(=C(C(OC)=O)C=C3)I)(=O)=O,DSUWNTHDYOQOJH-UHFFFAOYSA-N
-6AA4E795F1DCA6A7_A73F218C500E2B8D_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3([S](CC)(=O)=O)CC3,YWRRTQRXMXCYEO-UHFFFAOYSA-N
-6B6DD3B384B27D79_A731F6B64A29E5CA_7017_UN,N4([S](=O)(=O)C2=C1C(=CN=CC1=CC=C2)Br)CCN(C3=NC=C(C#N)C=C3)CC4,UFTMHEOBJCUTHE-UHFFFAOYSA-N
-6C409E21FFCDD35A_14A249E82CA82F93_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C5=CC4=NC(=C[N]4C=C5)C6CC6)(=O)=O,FHGGFLADYVTGCR-UHFFFAOYSA-N
-6C63D3CB333F6AAB_E7E11A3927F5B78F_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=C([N]1C)COC2=C(C=CC=C2)Cl)(=O)=O,OFJOKYUHGDOLOH-UHFFFAOYSA-N
-6C8107140B928D2B_59C0F6B3A025BB9C_6029_UN,N(C1(CC1)C2CCC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,XNFZYQVIGVPBIS-UHFFFAOYSA-N
-6D34C76BDE24DE9D_11039F55695C0EF4_6041_UN,CC(C)OC1=NC(=NC=C1)NC2=C(C=CC=C2)[As](=O)(O)O,VRIYFCLQADMUEX-UHFFFAOYSA-N
-6D96E78933A3E062_5452261BCB98F980_6039_UN,O(C1(CC1)C2=CC=CC=C2)CC(OC)C3=CC=CC=C3,OREYPZBATPCRAE-UHFFFAOYSA-N
-6E271CD02DE26BE9_5DA08D1E3DADFFED_6029_UN,N(C1=C(C=CC2=C1OCO2)Cl)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,DTMFUZRCOXIODL-UHFFFAOYSA-N
-6E596AEB1D5AC462_DEF9D3CB8E178083_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC4=C(N=C3)C=CC=C4,QDOGGPIURCBWES-UHFFFAOYSA-N
-70CD1AFF6CB3B0F0_6752BE16746C57F5_6039_UN,O(C1CCC(F)(F)CC1)CCOC2=CC=C([S](C)(=O)=O)C=C2,QWPSBFNCALFWDP-UHFFFAOYSA-N
-7154D7B2FE0CD11B_13367707C02C8978_6028_UN,N(CC1CCN(CC1)C2=NC=CC=N2)[S](C4=NC3=C(N=CC(=C3)Br)[NH]4)(=O)=O,LIMKYZFYLDNKRK-UHFFFAOYSA-N
-71FE3B837FECBBD6_2A6CF40E89465499_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CC2CC(C2)[N]3C=NN=C3,KPKPKSUHBRHBLE-UHFFFAOYSA-N
-724FAB84D919F0C5_044DA6AC0F401379_7017_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCC([N]2C=C(Br)C=N2)CC3,AHFCDFMVADHSBQ-UHFFFAOYSA-N
-725F9C9C2A650B3A_00149BA23A3F1A3D_6039_UN,CC1=NC(=C(C=C1)OCC(N2CCN(C(OCC)=O)CC2)=O)[N](=O)=O,BQCNGEPCFBMPBP-UHFFFAOYSA-N
-72CC74DB78E3341E_880CE9E6E37F75F4_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)N[C@H]3CN(C(C)=O)CC3,PUQURQAWXLDAML-LLVKDONJSA-N
-73B1C0457B5A3955_238F9177C5BD64CF_6029_UN,C1C(CN1[S](C2=CC(=C(C(OC)=O)C=C2)OC(F)F)(=O)=O)C3=NOCC3,SWJLUWWMECVCOL-UHFFFAOYSA-N
-753D2D42BF1D1F08_402574E21E6826F9_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C(N(C)C)=O)C=CC=N3)(=O)=O,SYKIFIMVABZYMR-UHFFFAOYSA-N
-76BFEDE8E7D39E43_D025CBFB23A8DF00_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2(CC2)[N]3C=CC=N3,GUVZGBVHVUFYPW-UHFFFAOYSA-N
-7725FBF4638B748D_80BD2F6927C5254D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC(C)C2=NC(=NO2)C3=CC=CC=C3,ZZNHSGVILCABMO-UHFFFAOYSA-N
-77CD128D3AE254C8_45F8FAAAECD66CC0_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C)(C)C[S](=O)(=O)O,RGRFOUHKQFYVCD-UHFFFAOYSA-N
-7AC3DFA85F2535F9_63EE6160D8F0BF5B_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)Br)[S](C3=CC=C(C=C3)Cl)(=O)=O,QPNPBPXTPUKAKH-UHFFFAOYSA-N
-7B15D76D48BAAE4C_690BD15FD80B296E_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C3=CC(=C[N]4C3=NC=C4)C)(=O)=O,LSCTYXYUEKIFDG-UHFFFAOYSA-N
-7B833914D7D0014F_4E6E4D3CAA2560D4_6027_UN,N(CC1CC(C1)C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,DMVJVSHFYQGJAV-UHFFFAOYSA-N
-7C10A03C05902480_C400034C79D73279_6031_UN,O(C(=O)CN1C(=O)CNC1=O)CC2=C(N(C)C)N=CC(=C2)Br,RJZXMJWXHGCXQA-UHFFFAOYSA-N
-7C463129598F7E71_5F7B8252526D2304_6029_UN,N(CC1CCC=CCC1)[S](C2=CC=C(CC)C=C2)(=O)=O,VHJMAIQWPBGFQM-UHFFFAOYSA-N
-7C50EFB4FAAE88B8_BE514A2FE5C2A79F_6028_UN,N(CCC1=C(C=C(C=C1)Br)Cl)[S](C2=CC(=CC=C2)Br)(=O)=O,CCVLFEBNAHXEPG-UHFFFAOYSA-N
-7C7969DE7FC5EF47_3523DEB78EB60D3E_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(OC)=O)C(=C2Cl)OC,KGJDWMDJMAAYJU-UHFFFAOYSA-N
-7C8D74E793EC6A08_ADFD181508DF6E23_6035_UN,CC(OC3=CC1=C(C(C(=C(C)O1)C2=CC=CC=C2)=O)C=C3)C4CCC(C)C4,LUQBAMJPWKCXAC-UHFFFAOYSA-N
-7CD03332015F9C4F_43B05226C11C38A4_6035_UN,CC2(OC1=C(C[S](C)(=O)=O)C=CC=C1)CCC(F)(F)CC2,FWOZBOKEWQGWNX-UHFFFAOYSA-N
-7D4F4CAC56C167E3_AA566A801132C9EB_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](C(C)(C)C)N=C1)(=O)=O,AKKGWKMTGFVJBU-UHFFFAOYSA-N
-7E9C118CFC69EFCD_0E338CCBFC1402F4_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=C(C[Si](C)(C)C)C=CC=C3)(=O)=O,LMPUIDVOFDBNRQ-UHFFFAOYSA-N
-7F2A6A7E3DDD1376_9029620347025C2A_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=C[N]3C=CN=C3C(=C4)Cl,MKZYEVSOSKWNQX-UHFFFAOYSA-N
-809F055813CF7B89_3D4C6D4D3DDDBB3A_6026_UN,CC1=C(C=C(C(=C1)F)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3)F,LNVRYOVOZNQQAA-UHFFFAOYSA-N
-80D9DB6861368D16_BDA692FE301774A4_6038_UN,O(C[CH]1C[C](=[CH2])C1)C(=O)C2=CC=C(C=C2)C[S](=O)(=O)Cl,FEXSOINCLJDQFJ-UHFFFAOYSA-N
-825381F8AA4E8108_D9BE6BEBDF053CC8_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,DICZATQWACIGNB-UHFFFAOYSA-N
-827E00EF0815290C_5771656DE3C91CE5_6029_UN,N(CC(O)C1=CC=CC=C1)[S](C2=CC=CC(=C2)C(F)(F)Br)(=O)=O,TVIBZYFZJKNGEK-UHFFFAOYSA-N
-82E6F515D18D95D0_A716BC4BAF5226E3_6029_UN,C1C(CN1[S](C2=CC(=C([N](=O)=O)C=C2)OC(F)F)(=O)=O)C3=NOCC3,KKOYHVQQEVKGRH-UHFFFAOYSA-N
-83461393594C6E2C_8D99D09A418F2F55_6035_UN,CC3(OC1=C(C=C(C)C=C1C)[S](=O)(=O)Cl)CCC2=C(C=CC=C2)C3,DVIQRSPSSXVRAY-UHFFFAOYSA-N
-836B0982B474217E_044C88E5B9FBBB6C_6038_UN,CN(CC(=O)N)C(=O)C1=CC(=CC=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WDUNMACBFNCEEC-UHFFFAOYSA-N
-837199B027327137_41BD81219294A917_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC=C(C=C2)[S](=O)(=O)C3=CC=C(C=C3)Cl,VJTSAEAFCOPYME-UHFFFAOYSA-N
-8391A290391E15C0_2DCFED1BCB7201F3_6038_UN,N(C1=CC(=CC=C1)[N]2C=NN=C2)C([C@]34C[C@@H](OC)[C@H]3C4)=O,AGSVYIIUEWNEAY-UMVBOHGHSA-N
-84C061FE48A4A915_F2DDA7166AF70332_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C[N+](CC)(C)C)C=CC=C3)(=O)=O,SUMLPDQDZISASB-UHFFFAOYSA-N
-84CEB880F8EB84AD_5BEEB249484611FF_6029_DP,CC1N(CCN(CC1)C2=C(C=C(C=C2)F)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,DAFWMLOPUVLLQE-UHFFFAOYSA-N
-84D6AF668E4E2B6C_9405BD3F149BB9F3_6029_UN,N(CCC1(CO)CC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,QMVDHJHXRBHJMD-UHFFFAOYSA-N
-8618D3EC5DADD7F0_17AD3CA1C4259849_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCCC3(C[S](C)(=O)=O)CC3,MIGVDNLIIXRSIC-UHFFFAOYSA-N
-864D3EA644DAE97C_C05D703F1C0E3467_6041_DP,C1(=CC(=CC=C1)C2=CC=CC=C2)NC3=CC=C(O)C=C3,NQUZCTHJERVYQW-UHFFFAOYSA-N
-87FC3326B2786F8A_625B7115BD60BBCC_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=C(Cl)C=C2)N=C3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,LTIVNJBQSCJNRS-UHFFFAOYSA-N
-8976F468E2F2E7A4_FBBA95E4B47715BD_6029_UN,COC(=O)C1=CCN(CC1)[S](C2=C(CC)C=C(C=C2)F)(=O)=O,FZKYFUMWZKHZNR-UHFFFAOYSA-N
-8A0E068F6EB540EA_3EE681C788F3ADB7_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,JNMINRHLJJAROD-UHFFFAOYSA-N
-8A21C38FE63440A0_807953C053B36177_6038_UN,CC(C)C(NC(C2=CC1=C(COB1O)C=C2)=O)C3=NN=C4C=CC=C[N]34,RXBXVGACLXSERP-UHFFFAOYSA-N
-8B6F9DD1973DC82F_731BE53DA619B20D_7022_DP,C1(=C(C=CC=C1)C(F)F)N2N=C(N(C)C2=O)C3CNC3,WEFNZHUMJDZSEB-UHFFFAOYSA-N
-8B74AE630F40886C_C8BD357BBD6A64AF_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CSCC3)CC4=C([S](C)(=O)=O)C=CC=C4OCC(F)(F)F,NHAIHKCNIHULKQ-UHFFFAOYSA-N
-8C3A4CDA643ADB64_F9772FF67F9935D2_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C2=CC(=CC=C2)C3CCC3,AXTWZTCKQNGMEN-UHFFFAOYSA-N
-8DD256B230C2E019_17F7BB65C59B7418_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3CC(C(C)(C)F)(C)F,SDUXYUMSUUVITH-UHFFFAOYSA-N
-8E572C01923AE08E_D8E145720F1B80E7_6034_UN,CC1NCCC2=C1N(C3=C2C=CC=C3)CC(C(C)(C)F)(C)F,VPVXFOKZENZVTI-UHFFFAOYSA-N
-8F0E0CD8491AF279_26A8BBDD458F48AD_6029_UN,CC1=C(C=CC=C1)C2CCN(CC2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,DZILIJOJMZFCRP-UHFFFAOYSA-N
-90030B52FC9F27BA_4BF89E948907159D_6039_UN,O(CC1(CC(F)C1)C2=CC=CC=C2)CC3=CC=C([S](F)(=O)=O)C=C3,QIPVIMVFBMVOJL-UHFFFAOYSA-N
-90696EADCF40CA9A_A50E234EFC44A584_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)Br)[S](C3=CC=C(C=C3)Br)(=O)=O,PHMCDVROJIUOCC-UHFFFAOYSA-N
-9078F25D9AAAE593_60F380826BDDD2A4_6029_DP,N1CCNCCN1[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,AFSKWIKMODNSBT-UHFFFAOYSA-N
-90B3D5CB0070E9AF_6E18497177F54EE5_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C(CC2=CC=CC=C2)[N]3C=NN=N3,KZXJOMIFOZMPDB-UHFFFAOYSA-N
-90EDA329F7800128_B6A77B55E1B90AF0_6038_DP,N(C1=CC=C(C=C1)COC2=CC=CC=C2)C(C3=C(CO)C=CC=C3)=O,IEMYHEAEZYVGMC-UHFFFAOYSA-N
-910CD783FD809282_E35C758648D4D34E_6038_UN,O(C(C=C)C1CC1)C(=O)C2=CC=C(C=C2)C[S](=O)(=O)Cl,SJWNHAIBHBNENW-UHFFFAOYSA-N
-918E6C61E13F72BA_E317F318AFE4966A_6038_UN,CC(OC(C=C([P](CC)(=O)O)C)=O)CC1=C[N](C)N=N1,AYYKBKPNTGXZJJ-UHFFFAOYSA-N
-9193D8B28A078EE5_D6325B79218C5169_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=C(C=CC=C3F)[N]4C=NC=N4,YGXSTHGWUMOWNT-UHFFFAOYSA-N
-930C8FA54DD65F11_B72C63DE4B7E55B4_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=C(C(NC)=O)C=C2,AEDYMOWKXPJWHT-UHFFFAOYSA-N
-93D366214DCA66CD_5A3A5D37DD2D8BEE_6038_UN,N(C1=CC(=CC=C1)C2CC(=O)NC(=O)C2)C(CCC(N(C)C)=O)=O,ZWRYTWJXFNMIGJ-UHFFFAOYSA-N
-93D74839B4C5811D_D2E1AD80C3614793_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](CCl)(=O)=O)C=C2)CC3)C=CC=C4,FDFLEXUKWJMDAV-UHFFFAOYSA-N
-9461793C810FBDD2_2522787FE825C864_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCCN(C2=C(F)C=CC=N2)CC3,INGSMCBNRRQWRU-UHFFFAOYSA-N
-94EFF09AD4EBA862_932890653AE0C018_6038_UN,CCN(CC)C(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,XAGLNFRHGNNJKZ-UHFFFAOYSA-N
-94FA72AFEA51EB43_3B4DD52A730CA2FF_6028_UN,N(CC1=CC=C(C=C1)C2CCC2)[S](C3=CC=C(OC)C=C3)(=O)=O,XVNROCIWMKKTJW-UHFFFAOYSA-N
-962106A6B9806F17_C3EF5695237E8AE7_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=C[N](C2CNC2)N=N3)=O,PQNRXDANCBZZCV-UHFFFAOYSA-N
-962FA3EDD56E1995_55828B11E9C78D58_7019_UN,O=[N]1=CC(=CC=C1)C=CC3=C(C=C([N]2C=CN=C2C)C=C3)C,KGKXXPMANQWZQV-UHFFFAOYSA-N
-98C2243256F1AE21_CD139303ECCCCA2E_6003_DP,N3CC(OC2=CC=C1C(N(C(C)C(=O)O)C(C1=C2)=O)=O)(C3)C(F)(F)F,VJCYIUSYDDJSME-UHFFFAOYSA-N
-98D166677DA76331_FDE620FA4D41872B_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O)C,GVNXNNGYLQQZRO-UHFFFAOYSA-N
-992D1AE6A15D317C_61D20B3EFD1242F4_6029_UN,N(CC1C=CCC1)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,FGEAOIORWWTTIE-UHFFFAOYSA-N
-9A8DB628911F4AD5_0628A703984427BD_6029_UN,N(CC1(Br)CC1)[S](C2=CC=CC(=C2)CC(C)(C)O)(=O)=O,GLYHZQUUGFUIMQ-UHFFFAOYSA-N
-9ACFBC2950EFD9AF_5A2F991B5017CC85_6039_UN,COC1=CC=C(C=C1)C3C(COCC2=CC=C([S](F)(=O)=O)C=C2)CC(=O)N3C,HGWBGYJFCKIOOD-UHFFFAOYSA-N
-9B67B75D8288E40E_AD1E258F1289CDB5_6026_UN,CC1=CC(=C(N=C1)Cl)[S](=O)(=O)N3CC=C(C2=CC=C(C#N)C=C2)CC3,XYURIDDOZVWJCM-UHFFFAOYSA-N
-9B72BF91D0B82ED4_614A34DAE481BFEB_6029_UN,OCC(O)C1CCN(CC1)[S](C2=CC=CC(=C2)C(C)Br)(=O)=O,ZUNCKUMPPBYDLR-UHFFFAOYSA-N
-9B77DD6B340B1947_87EA756212846458_6026_UN,ClC2=C1C=CC(=CC1=C(C=C2)Cl)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,HNKRKODWEOKMFQ-UHFFFAOYSA-N
-9BEEB7AC0BDAF3A9_E86BC511B167889B_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C(OC)C#N)C=CC=C3)(=O)=O)C,NKFUDYYPMAOOTC-UHFFFAOYSA-N
-9CD5665840DDC518_CE0F1D0C95D5AA4A_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C3=CC2=C(CN(C)CC2)C=C3F,CZRUXBZDLVDIAN-UHFFFAOYSA-N
-9D63ECC95D9D71ED_F135824522C07479_7017_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)N3CCN(C2=CC(=NC(=C2N)C)C)CC3)Br,REEONFOQVLULTF-UHFFFAOYSA-N
-9F26D5C142C6EB99_B54765FD1C108B31_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2=C([N](C(CC)C)N=C2)C3CC3)[NH]4,OXPXCASPNRMYGZ-UHFFFAOYSA-N
-9FE34C55C4CE7AC0_E619BD3AF46AF7AD_6038_UN,N(C1=CC(=CC=C1)C3=NC2=C(C=CC=C2)S3)C(=O)C4=CC=CC(=O)N4O,FGWPZRZSRCDUNL-UHFFFAOYSA-N
-A0586FC5EEBC4651_0BA47C7840C16B74_6038_UN,CN1C(CC(=N1)CNC(C2=CC=CN(CC(N(C)C)=O)C2=O)=O)=O,QOBSNAADXDLBAQ-UHFFFAOYSA-N
-A0E57A2A7D4EE936_FDB5AC0A2EE130D8_6038_UN,O(C1=CC(=CC=C1)F)C(C2=CC(=C(COC)C=C2)F)=O,ZGDMRYQSHHIIQK-UHFFFAOYSA-N
-A10B4CE0DE7792C5_E7187749AB8A6E91_6038_UN,N(C1=CC(=O)NC(=O)C1)C(C2=CC=CN(CC(N(C)C)=O)C2=O)=O,VNHDQXHBRGPXOC-UHFFFAOYSA-N
-A1EDFDDD84AC4728_49043C17E71DF965_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=CC=C3)C4CCC4,DNBSTGWSDYNDKG-UHFFFAOYSA-N
-A2D2113D6E3EF31F_F735FBE3F6632CEF_6038_UN,O(C(C=C)C1CC1)C(=O)C2=CC(=CC=C2)C[S](=O)(=O)Cl,XTVDPNHQXAXOBC-UHFFFAOYSA-N
-A52879CBA0AE4C72_66F2852C6C0354AA_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,MHJDALIDGUPTFL-UHFFFAOYSA-N
-A86C287006F518F8_5256EA1E7B9969C2_6038_UN,O(C1=C(C=CC(=C1F)F)[S](=O)(=O)Cl)C(=O)C2=C[S](=O)CCC2,YFNSASGVGXVKKZ-UHFFFAOYSA-N
-A874512EED523D69_24CA359D854E22BE_6029_UN,CC1(CC=CCN(C1)[S](C3=C2OCOC2=CC(=C3)CCl)(=O)=O)C,HWRNXIPMGMUMTI-UHFFFAOYSA-N
-A9C36AEB7A91E470_A9C6EDC1C8EFF10D_6038_UN,O(C1=C(C=C(C=C1F)F)[S](=O)(=O)Cl)C(=O)C3=CC2=C(C=CC=C2)OC3,BLISVDAETIIEAI-UHFFFAOYSA-N
-AA92AE630CB370AD_D001F0CAEC8D2112_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC(C)(C)N3CCNCC3)C4=CC=CC=C4,QQSLQQDDNOPZJC-UHFFFAOYSA-N
-AAD48CF2752F64B9_833CF85783F33BDD_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C3=C(Cl)C=C2OCCC2=C3)(=O)=O,PHIRLNLUEMMXPA-UHFFFAOYSA-N
-AB6B8DBC5514C783_3B02DAD83F2145A3_6038_UN,CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=O)N2O)C3=NN=N[N]3C4CC4,XCVUSNQDHZIING-UHFFFAOYSA-N
-AB71DADAEE4D6E89_4CB2932535F3C6B3_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)NC(C)(C)C[S](=O)(=O)O,HKMUZKPMAULBBG-UHFFFAOYSA-N
-ABAEA5605454A064_9903656120A22A2F_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C3=CC(=C(B(O)O)C=C3)F)=O,VBBCBNXURHIBTC-UHFFFAOYSA-N
-AC30BB4D427429C4_479C4F3FD8B64647_6038_UN,CC2=C(NC(C1CN(C(N)=O)C1)=O)C=N[N]2C[Si](C)(C)C,FNCKRODSPAECMB-UHFFFAOYSA-N
-ACBFBDF934839E5F_E3FE70503AAC7290_6003_DP,N3CC(OC2=CC1=C(OCC(N1)=O)C=C2C(C)=O)(C3)C(F)F,UEORBBMGMORUQF-UHFFFAOYSA-N
-ACEA6315722D4A1C_55280ACCC9396582_6041_UN,CC(C)N3CCOC(C[N]1C=C(C=N1)NC2=C(C=CC=C2)[As](=O)(O)O)C3,UVLIYDJFEKRBOH-UHFFFAOYSA-N
-AD33084A7ECE8C24_288CB5C8FA8C2CC0_6038_UN,CC(OC(C1=CC=C(C(N)=O)[NH]1)=O)CCCCN(C)C,NXELWPFWNQQJMB-UHFFFAOYSA-N
-ADCD267201342968_B28B1806EC1255BC_6039_UN,COC1=CC=C(C=C1)C3C(COCC2=CC=C([S](Cl)(=O)=O)C=C2)CC(=O)N3C,KRSWRNVBWXXHCV-UHFFFAOYSA-N
-AE29023E13A82BDF_22A473C616F67A5D_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC(=NC3=NC=N[N]23)C)=O,RBVZZXDIVWWPCB-UHFFFAOYSA-N
-AE2CA1D742AA59CD_8A43B437C783A4E3_6029_UN,N(CC(O)C1=CC=CC=C1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,FWUZRHQMSINRSP-UHFFFAOYSA-N
-AF19979F2839A09E_705016C388815466_6039_UN,O(CC1=CC=C(C=C1)C2(F)COC2)CCOC3=CC=C([S](Cl)(=O)=O)C=C3,XAQPSGSUJUTYMC-UHFFFAOYSA-N
-AF80148E2F149E65_1B136A3B044B3E98_6027_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,UERWAFHSEJPZPN-UHFFFAOYSA-N
-AFCCD36B660F11D3_E4E9056B836F4D0A_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=NC=C(O)C=C3)=O,UWLDNHQGRYZIAC-UHFFFAOYSA-N
-B00E31C680CF6FAE_EEBA32B29BE40356_6039_UN,O(CC1(CC(F)C1)C2=CC=CC=C2)CC3=CC=C([S](Cl)(=O)=O)C=C3,YZDNEZIWNBPEAA-UHFFFAOYSA-N
-B0CCC745BBC01E8E_BAE985BD614324FC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=NN=C3[N]2CC(C)CC3)=O,CZPCZLDWUNDSLM-UHFFFAOYSA-N
-B14EBEE8791DC401_74C9085BA9C43762_6029_UN,N(CC1=CC=C(C=C1)S)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,AHDYTTAUHJPXPI-UHFFFAOYSA-N
-B264F390F7463D26_4119FA111D695326_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=C([N]1CC)C2=C(C=CC=C2)Cl)(=O)=O,DPEORNVIEADAHN-UHFFFAOYSA-N
-B2E310796BD3C484_72657483886D0EFB_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3C2=NN=C[N]2CCC3,RXRRZZFHPRIXOF-UHFFFAOYSA-N
-B30EE53F06C3A2F6_B86C3293B73DC85B_6038_UN,O(C(CF)C[S](=O)(=O)Cl)C(=O)C2=CC1=C(C=CC(=C1)F)OC2,JHGQTXVMOHEPNF-UHFFFAOYSA-N
-B343485A9C03FCFE_2F9262BB2662EA49_6029_UN,N(C1(CCC1)CC=C)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,LUZMOWUYYXCGGA-UHFFFAOYSA-N
-B6D4B864F064E789_90A71D49D3CC665F_6039_UN,O(CCC2=C1C=CC=NC1=CC=C2)CCCOC3=CC=C([S](Cl)(=O)=O)C=C3,IXFOORCLOPBVHS-UHFFFAOYSA-N
-B6E2C51400E6A2C5_60441BE59807F76E_6038_UN,CC(=O)C2=C(C=C1OCOC1=C2)NC(C5=CC3=C([NH]C4=C3CCN(C)C4=O)C=C5)=O,XCFVGRPULDFOJP-UHFFFAOYSA-N
-B6E4382F54C0F2F1_92F2D8D477AB2755_6038_UN,NC(=O)C1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,MYQCSRWMPHBNKB-UHFFFAOYSA-N
-B6FC0B23DC3FFA5C_5DC633230A4441C3_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=NC5=CC=N[N]45)(=O)=O,ZSPKZKJJYAZSDF-UHFFFAOYSA-N
-B79078704EF7667D_FCEEF655EAF664A3_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCC([N]2C=C(Cl)C=N2)CC3,DIPLGVWJOQHIFF-UHFFFAOYSA-N
-B7915F587DBC442B_118BE3FF291B5E1E_6038_UN,N(C1=CC2=C(C=C1)B(O)OC2)C(C3=C(C(C)C)[N](N=C3)C4=NC=CC=C4)=O,NPVSUTKKKIDXFI-UHFFFAOYSA-N
-B8614A9AAA2D97AF_9A6CB0846D58C9FA_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)C(CC)O)(=O)=O)C,ULABKTMSHDXORL-UHFFFAOYSA-N
-B8794DFCF504E140_A5B80FF4E0CE9AF5_7017_UN,CC1=C(C(=C(C(=C1)C)C)[S](=O)(=O)N3CCN(C2=C(C=C(N)C=N2)Cl)CC3)C,GPDUTXQKZNYREH-UHFFFAOYSA-N
-BC17E590681A783C_015A60B613F4CDF1_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C(N(C)C)=O)C=C(C=C3)C,XBVOSOUEEDBBTL-UHFFFAOYSA-N
-BCF4AED9EBE2E130_0F2B2745BC5451C9_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=C(C2CCCN2)[NH]N=N3)=O,FAHYNSPKZIMASD-UHFFFAOYSA-N
-BD93EA197D79CF76_F0C8992340407FA1_6041_UN,C1(=CC=NC2=C(C#N)C=N[N]12)N[C@@H](C(=O)O)C3=CCC=CC3,DDBVCIHRQZZNGY-CYBMUJFWSA-N
-BE588FFD30FB94CB_B7164C19DEC382B9_6029_UN,C1CN(CCN1[S](C2=C(F)C3=C(C=C2)CCC3)(=O)=O)C4=NC(=CS4)C5=CC=CS5,UTQHUPQWRPJBKW-UHFFFAOYSA-N
-BF1EA02B25C0CB70_787453DEA0B87063_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=N[N](C2CNCCC2)C=N3)=O,XMKBSWDLMHXOCQ-UHFFFAOYSA-N
-BFC3205480165509_A0EBA68C83FC4041_6029_UN,CC(C)[N]1N=NC(=C1)C2=CCCN(CC2)[S](C4=CC3=C(OCC3O)C=C4)(=O)=O,KWFLELFROWAHSV-UHFFFAOYSA-N
-C0C1097A941D807F_5867809DEFAA692D_6029_UN,N(CC1CCC(F)C1)[S](C2=CC=C(CCC)C=C2)(=O)=O,MPBXNAKARNPHQD-UHFFFAOYSA-N
-C10FB785A82D8F6B_42A356149272BCC7_7017_UN,N4([S](=O)(=O)C2=C1C=CC=NC1=C(C=C2)F)CCN(C3=NC=C(C#N)C=C3)CC4,DYJWMIBQNXBQEU-UHFFFAOYSA-N
-C1DC987C1525724A_F4D47546E5E65B91_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3C(C)C)N(C)C)(=O)=O,PODUOXXXCFOUMT-UHFFFAOYSA-N
-C2D88494F79BB6AA_A246665A1E189F6F_6038_DP,N(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C3=C(O)C=CC=C3)=O,RFTARLCODCTFPC-UHFFFAOYSA-N
-C300904C263E6CEC_475F5FD53D31E947_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=C(C=C4)C(=O)O)[N](=O)=O,ZBFQEYFOFKPANG-UHFFFAOYSA-N
-C33F346BB5B0BE69_9B4B57292DBA7E03_6028_UN,COC2=C1CCN(CC1=C(C=C2)Br)[S](C4=C(C=C3OCCOC3=C4)Cl)(=O)=O,CMMCVMMLYBOELK-UHFFFAOYSA-N
-C3768CCB784729C5_09AFC777886498EF_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(C(C)C)CC3,DONRZMXFVYMRNN-UHFFFAOYSA-N
-C415A64DBA8EFE7D_A8EEF4C0923C9721_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C(C(C)N(C)C)[N]3C4=CC=C(C=C4)F)(=O)=O,GWFLPJGWISRAKO-UHFFFAOYSA-N
-C4161B3864734DD4_AFF43672D4BFE4EA_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CNCC3)C4=C(CC)OC=CC4=O,YOKLHQZBHSLUJE-UHFFFAOYSA-N
-C443F32BBBB80ACD_E5E5BD20E606E82E_6038_UN,O(CC[S](=O)(=O)Cl)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,NTCOLWRAOJLOJH-UHFFFAOYSA-N
-C605858A96EE2503_C3265DCE3430D523_6041_UN,C2(=NC1=C(C=CC=C1)[N]3C=CC=C23)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,XMOYHRINZDZYLU-UHFFFAOYSA-N
-C713ED9C6E5C99CF_4F9261146EB1C22E_6041_UN,CSC1=NC(=NS1)NC(C)C2=CC=C(C=C2)N3C(OCC3)=O,AFQHNLNKGXWSCV-UHFFFAOYSA-N
-C7BD4ABE0BE4973C_8BFD1F34F9CD943F_6035_UN,CC(OC1=C(C(CC)=O)C=CC=C1Cl)CN2CCNC2=O,OEGNMBJGAPWOET-UHFFFAOYSA-N
-C87556F7AACC9E0B_428020521A01FA68_6029_UN,CN1CN(CC1=O)[S](C2=CC(=C([N](=O)=O)C=C2)OC(F)F)(=O)=O,NSAKQKXDSRTSJP-UHFFFAOYSA-N
-C9975A74E8D923B2_66E9139B68A93294_6026_UN,ClC1=C(C=CC(=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,NMJGVSNJAMLAFB-UHFFFAOYSA-N
-CA2063C084FE1FF2_66BB940F81EEF994_6026_UN,CC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)N4CCN(C3=CC(=NC(=N3)C)C)CC4,JFHRCLQMOBKEIY-UHFFFAOYSA-N
-CB37BDCAF68DD019_4227D2AE154E9041_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](C)(=O)=O)C(=C2)C#N)CC3)C=CC=C4,NIFBKAILUCTZFD-UHFFFAOYSA-N
-CB45F6238DCE93E5_2FB557F4EB57314A_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC=C(C=C3)F)=O,QCEWUPJZOGQETD-UHFFFAOYSA-N
-CB79D73B9C1EEB02_000474E0235F4AB6_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3=CC(=C(SC)C=C3)C,GTPUZRDRFKMFLW-UHFFFAOYSA-N
-CC2AF99D11AA9CFC_996C8AABB684BC5E_6038_UN,O(C1=CC(=CC=C1)OC2CC2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)O)F,CXVZZYBKUFPBTJ-UHFFFAOYSA-N
-CC7038B9878C8507_9F377423279D626F_6029_UN,OC1(CN(C1)[S](C3=CC2=NC(=C[N]2C=C3)C4CC4)(=O)=O)C5=C6C(=CC=C5)C=CC=C6,XMYQOWLDDFQBKK-UHFFFAOYSA-N
-CCF580E77220C82D_698B242AC1D12DF9_6035_UN,CC(COC1=C(C(CC(C(OCC)=O)=O)=O)C=CC=C1)N2CCNC2=O,BUIJYEWSNUEXSD-UHFFFAOYSA-N
-CE4E1203E94799B7_C9CA3E378C8186D4_7005_UN,C[P](=O)(C)C1=CC=C3C(=C1)N=C(C(C)C2=CCCC2)[NH]3,PVXVKJYCPWALMX-UHFFFAOYSA-N
-D03DE0B120F5FF5A_423969DF07A247FE_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F,PVUHLISFEDAQDV-UHFFFAOYSA-N
-D092DC1A840D4D5E_621535B012CDF5B9_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=C(CO)C=CC=C3)(=O)=O,HETAYHVJNFJVNM-UHFFFAOYSA-N
-D093A85208BE815F_A8BD3A3BBA22AAA7_7017_UN,N3([S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)Cl)CCN(C(SC)=C(C#N)C#N)CC3,VBTSLPQMTISKMN-UHFFFAOYSA-N
-D0C731D314D30F88_FF525DD7B220BCD3_6029_UN,O=[N](=O)C1=C(N=CC=C1)N2CCN(CC2)[S](C3=CC(=C(F)C=N3)[S](=O)(=O)F)(=O)=O,NUGXFKGGBJTJCT-UHFFFAOYSA-N
-D26BE33C003A4CC7_EA475CBD16B35B27_6028_UN,COC2=C1CN(CCC1=C(C=C2)F)[S](C4=C(C=C3OCCOC3=C4)Cl)(=O)=O,WOWYIIKBYTYQTE-UHFFFAOYSA-N
-D3B06A903C7C7EE6_2C2FB09320C94790_6026_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)[S](=O)(=O)N3CCN(C2=NC=C[N]2C)CC3,FOBTVRRGYNLSSL-UHFFFAOYSA-N
-D3E2980022969FB7_16FD4C153ED726E7_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=CC(=CC(=C3)F)Br,IMORZXVFXJCRLC-UHFFFAOYSA-N
-D3FBAC43C85861F2_D688AA9ACDB2DD44_6029_UN,N(CC1(O)CCC2=C1C=C(C=C2)F)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,NIXOFIFNEMEXFW-UHFFFAOYSA-N
-D4567CB756A3753E_E5FE74484F096FFD_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)CC(C)N3CCCC4=C3C=CC=C4,NLCLJAYYGVBWAY-UHFFFAOYSA-N
-D5AB5C62EE48DF47_6F9B02490D3F8BDF_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3)OC(F)F)(=O)=O,CBZUDMQIBXRQAH-UHFFFAOYSA-N
-D5FE97F9DC1BE194_610D0C383D5D9E23_6029_UN,CC1CCC(C)N1C2=C[N](N=C2)[S](C4=C[N]3C=CN=C3C(=C4)C)(=O)=O,CTQNQIAAHNRAIY-UHFFFAOYSA-N
-D6F3FC8DD1245B93_95ECB09D385C7724_6038_DP,CCC1=C(C(=CC=C1)NC(CN2CCNCC2=O)=O)CC,LIIMIXNXMYFUKD-UHFFFAOYSA-N
-D718CFDC765A1657_D9C5E6B473573275_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)Br)[S](C3=CC=C(C=C3)I)(=O)=O,KMRLXKBDPUKREA-UHFFFAOYSA-N
-D77875BDEC894519_B4D00C84E7B72C75_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=CC(=C(B(O)O)S4)I)(=O)=O,YJLDGABFXXHGOI-UHFFFAOYSA-N
-D7A49D6104611558_01A7684A4AE6942A_6038_UN,N(C1=CC=C(C=C1)C2CC(=O)NC(=O)C2)C(CCC(N(C)C)=O)=O,NYCUQEQAKRNDSO-UHFFFAOYSA-N
-D7AE5311723BFDCA_8C17E1DB5F7B5BAC_6041_DP,N1CCN(CC1)C2=NC(=NC=N2)NC3=C(C=CC=C3)[As](=O)(O)O,MJVYDIAFCXICHT-UHFFFAOYSA-N
-D81268FC0AB0B4DF_677E36D93F7A8BC8_6029_UN,C1CN(CCN1[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C5=C4C=CSC4=CC=N5,UDEYNWGBYKEHIJ-UHFFFAOYSA-N
-D99110ABC6E9746A_C1F6813F110250B5_6029_UN,OC(=O)C1=CCN(CC1)[S](C2=CC(=C([N](=O)=O)C=C2)OC(F)F)(=O)=O,OMXQJQBPJSANFI-UHFFFAOYSA-N
-DA52E46F860EF9C7_E229ADACBCD71032_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC(=C2)Cl)Cl)CC3=C([S](C)(=O)=O)C=CC=C3,AOJWONHQVVTVNJ-UHFFFAOYSA-N
-DABDCFE931C7880A_FDEA2D5044069E8F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(N=C5)CCC6)(=O)=O,KCZUOQGAVCZNGQ-UHFFFAOYSA-N
-DAE98C822E32A24E_E5AD9BE68BD19F67_6038_UN,CN(C)CC1CCN(CC1)C(=O)C2=CC(=C(C(=C2)NC(=O)C3=N[NH]C=C3F)Cl)Cl,NMXJPEGEIYEMGU-UHFFFAOYSA-N
-DB1639309D0A0D31_BCD1CF72FDE79D40_6028_UN,N(CCCC1CCC1)[S](C2=CC=CC(=C2)C(F)(F)F)(=O)=O,QNTXFUSGPYXWKB-UHFFFAOYSA-N
-DB53BB26D3CB13DC_7020A4FC1748ACC8_6028_UN,N(CCC1=C(C=C(C=C1)Br)Cl)[S](C2=CC(=CC=C2)Cl)(=O)=O,RAEJEKRYIAMBHN-UHFFFAOYSA-N
-DB5D27B7960FDEA6_660FDA7F0806CBAB_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4,WAUJUSSDGXSVRZ-UHFFFAOYSA-N
-DBEB024B1D7E7005_1615CAC27F7D8F31_6026_UN,[S](=O)(=O)(C1=C[NH]C(=C1)C(=O)N2CCCC2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,MXLQQKXZYMAQDF-UHFFFAOYSA-N
-DC5B9462A90C28DE_3BD594E8089970EA_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C(C(C)N(C)C)[N]3C4=CC=C(C=C4)Cl)(=O)=O,CYPLBGHXDXPGKW-UHFFFAOYSA-N
-DCB628D761755E3A_5D5207389C7ADCCD_6029_UN,CC3=NOC1(CN(C1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O)C3,JSHBYOSAVUHSLO-UHFFFAOYSA-N
-DCF0BAC3C2B47965_E7D73C3EB82E9C94_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](C(F)(F)F)(=O)=O)C=C2)CC3)C=CC=C4,UTNZURGCQIJTKU-UHFFFAOYSA-N
-DDB11173DE995F92_886C6B2421F5F359_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=CC3=C(C=CN=C3)O4,NQEJHIBEKQXAHB-UHFFFAOYSA-N
-DE0E3CAC8A092880_A13C68C39E079DE2_6026_UN,CC1=C(C2=C(S1)C=CC(=C2)Cl)[S](=O)(=O)N4CCN(C3=NN=C(C)C=C3)CCC4,MLKYZVHWWKNUHU-UHFFFAOYSA-N
-DE808CC980BAEAAF_2B864DEA4626BC81_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)N=C(S2)N3CCNCC3)=O,LPVZBZBABWNLFT-UHFFFAOYSA-N
-DF164699FA7F462A_EAA9B3E16A0343C4_6028_UN,CC(C)N(O)[S](C1=NN=C([N]1C2=C(CC)C=CC=C2)N3CCOCC3)(=O)=O,OMGBYPKNMDFGJD-UHFFFAOYSA-N
-E0EFA1EBAA472D24_E79B786F528D8060_6041_UN,C1(=CC=C(O1)C2=NN=N[NH]2)NCC3=CC=C(C(OC)=O)O3,JXUWAIJSDPYLIO-UHFFFAOYSA-N
-E1511A3CFB2F72BE_6753EF7262A763D4_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,HCZOBTVOADEMGE-UHFFFAOYSA-N
-E235013566145FEC_786BD4C9673ACF43_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C(CBr)C=C3OCOC3=C4)(=O)=O,HIDZTGOJZUKDGV-UHFFFAOYSA-N
-E291A0CE3E8F99AB_39F592746859AC7E_2201_UN,CC3CC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34,ZWMHOBVNPAGUGZ-UHFFFAOYSA-N
-E2D1FB5AFFCF465D_B613424CF92B23D4_6028_UN,C1CC(CCN1[S](C3=NC2=C(C=CN=C2)S3)(=O)=O)[N]4C=C(C=N4)C5=CC=CC=C5,FCGNLKWFSUNWLF-UHFFFAOYSA-N
-E38A0EDBE3831B18_18C070B0A6B67138_6038_UN,COCC(OC(C[N]1C=C(C(OC)=O)N=N1)=O)C[N]2C=CN=C2[N](=O)=O,TURREWKYWPUJSS-UHFFFAOYSA-N
-E3A823ED8A3CF2F3_D6B0D7DF0EE7698E_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CNCC2=CC=N[N]2C3)=O,GUGFWQMKGDWSNN-UHFFFAOYSA-N
-E5183D89140D7CE0_9712959909885EB8_2875_UN,C[C@@H]([N]1N=NC(=C1)C(=O)C2=CC=CC=C2)C3=CN=N[N]3C,ZGVPJSOWBWBSFN-SNVBAGLBSA-N
-E58905032202BEA3_CDA5A5417026C21F_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=CC(=C2OCOC2=C3)Cl)(=O)=O,PJDWTIAJCGUEOE-UHFFFAOYSA-N
-E58D86275E2D1613_87541D89354C71EE_6029_UN,C1=C[N](C(=C1)C2=CC=CC=C2)[S](C4=CC3=NC(=C[N]3C=C4)C5CC5)(=O)=O,HBTRJQNAQRDPOS-UHFFFAOYSA-N
-E5A3E09D65BD0B7C_067733F1426E54F3_6026_UN,CC1=C(C=C(S1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,RWQLLWTUVXJXTA-UHFFFAOYSA-N
-E5CA066C53B59DDD_FC5CB86B1A8413E3_6029_UN,N(CCC1(CO)CCC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,WWZNWSHWUFOJJF-UHFFFAOYSA-N
-E71E17515B27E4A6_B77B728B36E2DCCA_6034_UN,ClC1=CN(C2=C1C(=NC=N2)N3CCNCC3)C(CC4=CC=CC=C4)[S](=O)(=O)O,WYMISEDAGXSVMA-UHFFFAOYSA-N
-E98F2790608D1C3E_487F1DCF4AFDDE8F_6029_UN,N(CCCC1CC1)[S](C2=CC=CC(=C2)C(C)(F)F)(=O)=O,FEITZFAABXOZSH-UHFFFAOYSA-N
-EA8D4AEF0AF03CAB_B76BE23B46906317_6038_UN,O(C(CF)C[S](=O)(=O)Cl)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,GLPZJLFLLPJOAK-UHFFFAOYSA-N
-EAB23F2D4D10B761_F04BABDA62588718_6029_UN,N(CCC1CC1)[S](C2=CC=C(C(COC)CBr)C=C2)(=O)=O,MSSCTXROZGZYBI-UHFFFAOYSA-N
-EAC22DA4E9168937_C7B006E52CF31FD3_6035_UN,NCC1=NC(=N[NH]1)C(OC2=NC=CC(=C2)[S](=O)(=O)F)C3CC3,KEFFYQBWSRXFDC-UHFFFAOYSA-N
-EB5D96B7D0A05971_FD669F9F11985EC8_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC=CC=C3)=O,RQJDXXNTZPNHPI-UHFFFAOYSA-N
-EB6F93511B29EF16_3098C420644B3832_6027_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=CC(=C2)[P](C)(=O)C)(=O)=O,WQXVWZTWJDLJRU-UHFFFAOYSA-N
-EBCD209C013BA2E6_6CDEF659D7B52D72_6035_DP,OC3CC(OC1=CC=C(C=C1)C(=O)C2=CC=NC=C2)C3,WJPNAXUVSWQMNO-UHFFFAOYSA-N
-EC382255A0727809_19BD5FFEED058FB7_6038_DP,CN(C)CC(NC(C2=C1NCC[N]1N=C2)=O)C3=CC(=C(C=C3)Cl)Cl,YVFSGHUUMMYWGF-UHFFFAOYSA-N
-ECA7F8A41B73F76B_0F486460CD157072_6041_UN,SC1=C(C=CC=C1NC3CCN(C2=NC=CN(CC)C2=O)CC3)C#N,ILNVEFLTUHTTPS-UHFFFAOYSA-N
-ED8D3911D7AB746B_D427443DEF14E51E_6035_UN,COCC(OC2=NC1=NC=C[N]1C=C2)C[N]3C=CN=C3[N](=O)=O,NXFPCXYKESUZDO-UHFFFAOYSA-N
-EDE565EFC6059E6A_69BD4C47E2EDA0AE_6029_UN,N(CC1CCC=CCC1)[S](C2=C(C=CC(=C2)CC)CC)(=O)=O,GGAMSSABFGYVFO-UHFFFAOYSA-N
-EEE0BC892D2DD5AB_F84D249B1EF115A0_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CC[N]2C=C(C(F)(F)F)N=C2C3)N4CCOC4=O,ZNTVENUXOWQWAP-UHFFFAOYSA-N
-EF252E76227C525D_B981C9012BF546A9_6003_UN,O(C1=CC(NN=C1)=O)C3=CC=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C3,BYMGHXYNRMCDBZ-UHFFFAOYSA-N
-F0E1E4F3E35BC87F_CF5C38E3685F16DA_6038_UN,NC(=O)C1=C(C=CC(=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,GLUOOOKDJYFPTI-UHFFFAOYSA-N
-F16CE8018D9467C0_C3A5929DBDD9446A_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=CC(=C2)Br)[S](=O)(=O)F)Cl)C3CC3,HQVDIHASNYYZDO-UHFFFAOYSA-N
-F216D8E47235BE26_A9CF1C9B8EA08B05_6038_UN,O(C[CH]1C[C](=[CH2])C1)C(=O)C2=CC(=CC=C2)C[S](=O)(=O)Cl,FXVFJCJKRSJJSB-UHFFFAOYSA-N
-F3060AFABA7FE816_D90834FAFFF3B04B_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC(=C2)F)F)CC3=C([S](C)(=O)=O)C=CC=C3,OAAWIHLKAONQAG-UHFFFAOYSA-N
-F44DD69D078A2643_81923D8596BA150C_6028_UN,N(CCC1=C(C=CC(=C1)Cl)Cl)[S](C2=CC=C(C=C2)Cl)(=O)=O,AASWIMXLNPUCIT-UHFFFAOYSA-N
-F5744AAE7A83970C_AADE05DCA7156747_7013_UN,N2=C(C1=CC=C([S](F)(=O)=O)C=C1)[N](C3=C2C=CC=C3)CCN4CCOCC4,RBZOWHDNSJIKPB-UHFFFAOYSA-N
-F594C7779B8D3943_414B6CA5282C354C_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCC3)C4=C(CC)OC=CC4=O,VAEDJJMJSHNHIM-UHFFFAOYSA-N
-F6293497D0526BEF_9D176C9A37E796B8_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)NCC(CC)=O,CSCFCQNJBFTBKN-UHFFFAOYSA-N
-F63DE6E4447075AE_A7472D250B0D68F1_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NOC(=N3)C4=CC=CC=C4,SCEOZBRIJBIKBH-UHFFFAOYSA-N
-F6DEB5F4C799E382_AE006437F8376786_6028_UN,COC2=C1CCN(CCC1=C(C=C2)Br)[S](C4=C(C=C3OCCOC3=C4)Cl)(=O)=O,IBCJOQQGHKQGJS-UHFFFAOYSA-N
-F7A803F58815F262_8975EA32A406332F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3[N]2C(=NN=C2C)CC3)=O,ZILITAHEKIASFP-UHFFFAOYSA-N
-F7FB645867C7A937_05D72E6F1FCA0871_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=NC=C([S](C)(=O)=O)C=C4,TZGMDNXQTKARAF-UHFFFAOYSA-N
-F84CD87528264655_F96BF244CEDBD406_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CN=C(C=C3)C4(CC4)C#N)(=O)=O,LKLSHYKHDUASPL-UHFFFAOYSA-N
-F89E7A3FCC1DEC5D_D0474356A9CD8DC7_6028_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,JSHVBFJASKCHPY-UHFFFAOYSA-N
-F8C294E609D574D1_500037DF80BF1CD7_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NC3(C(N(C)C)=O)CC3,UTNVFFZRCYZLNA-UHFFFAOYSA-N
-F8C294E609D574D1_CC9C7877669581D3_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NC3(C(N(C)C)=O)CC3,UTNVFFZRCYZLNA-UHFFFAOYSA-N
-F944E191C7BA0B5D_4DE2A85C4F1F5D95_6038_UN,CC(C)C1=NN=N[N]1C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=S)N3O)C,ASKZSMTZRKFPRN-UHFFFAOYSA-N
-F992A7871F0BD6F4_F7E26E59DF96228B_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC=CC=C2)CC3=C([S](C)(=O)=O)C=CC=C3,SZVOAEAXRJGWHA-UHFFFAOYSA-N
-FA4BB2375EA6C8C3_E799870AC02F4C9D_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C2=CC=C(C=C2)C3CCC3,KKESAVBZKZANQU-UHFFFAOYSA-N
-FC3747824F5B7E13_9E7ACBD5F703B6FD_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC3=C(N(CC)CC3)C=C4)(=O)=O)C,IZSPHQVROQNHNV-UHFFFAOYSA-N
-FC4025BCDD0856BE_71366087A1147E72_6035_UN,CC(OC1=C(C=CC=C1)C2=NNC(=O)CO2)C[S](=O)(=O)C,ODVLCNHHPAXBPZ-UHFFFAOYSA-N
-FC551FD502747E29_B2A4CE5BE10C1355_2875_UN,C[C@H]([N]1N=NC(=C1)C(=O)C2=CC=CC=C2)C3=CN=N[N]3C,ZGVPJSOWBWBSFN-JTQLQIEISA-N
-FC7A6B1F95AA921C_7790FA72B5A738D1_2201_UN,CC2=NC1=C(C=C(C=C1)[N](=O)=O)C(=C2CC(C)(C)O)C3=CC=CC=C3,LJSVCWNCPXLKSQ-UHFFFAOYSA-N
-FD2CEA25223CE98B_296584DE74028E24_6035_UN,CC(=C1C(=NC(=C1C)C)C)OC2=C(C[S](C)(=O)=O)C=CC=C2,IFEZUKREWUAKJS-UHFFFAOYSA-N
-FD70F4EDDF2DA80F_33414093ECC24BD9_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C3=CC(=C(C(C)C)C=C3)[S](=O)(=O)Cl)=O,VBZOVUMRZBQNIM-UHFFFAOYSA-N
-rxn:1:46433:3365,CC(C)C(=O)N1CCC(c2cn(CCC=Cc3cc(F)c(F)cc3C(=O)O)nn2)CC1,VFZAQSFPTCDAEC-UHFFFAOYSA-N
-rxn:1:49514:24648,CC(=O)SCC1C(c2cccc(-n3cc(C4CC(=O)N(C(CCO)C(=O)O)C4)nn3)c2)C1(F)F,KCKSCKNEEYHQDP-UHFFFAOYSA-N
-rxn:1:49514:8459,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCC(c5nc(C)cc(Oc6ccccc6C)n5)C4)nn3)c2)C1(F)F,KUQRWDJVILGSMK-UHFFFAOYSA-N
-rxn:1:50788:33088,CC1=CCC(C(=O)Nc2ccc(C)c(-c3cn(CC4C(c5cnn([C@@H](C)C(=O)O)c5)C4(F)F)nn3)c2)CC1,VBKVQWYJXFOVAN-SFDOJAGCSA-N
-rxn:1:50841:25507,Cc1c(C(=O)O)cccc1N1CC(c2cn(CC3C(c4cnc(F)c(C(=O)O)c4)C3(F)F)nn2)CC1=O,NDNJQYVFGVAGCA-UHFFFAOYSA-N
-rxn:1:51006:39519,CCN1CCN(Cc2cn(CC3C(c4cc(C)c(C(=O)O)c(C)c4)C3(F)F)nn2)CC1,BFZCHCIUBBXNIW-UHFFFAOYSA-N
-rxn:1:54262:24405,C[C@H](O)[C@@H](C(=O)O)N1CC(c2cn(CCC3C(c4ccc5[nH]ncc5c4)C3(F)F)nn2)CC1=O,JWHWHAUWEXAYGS-KMGBYWRXSA-N
-rxn:1:54545:39519,CCN1CCN(Cc2cn(CCC3C(c4cnc(C(=O)O)c(C)c4)C3(F)F)nn2)CC1,JAYKXDARXJNUJS-UHFFFAOYSA-N
-rxn:1:61223:26049,O=C1CC(c2cn(C3CN(C(=O)Cc4ccc(Cl)cc4)C3)nn2)CN1CCC[Si](O)(O)O,ZRZLHLWMTRVZGT-UHFFFAOYSA-N
-rxn:1:62150:12989,CC(C)c1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(F)(F)C(=O)O4)nn3)C2=O)cc1,FSRZDXOGNJOOFC-UHFFFAOYSA-N
-rxn:1:63400:24487,CC(Cc1cccnc1)N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,JKMIHJKIMVNGQA-UHFFFAOYSA-N
-rxn:2:69479:85874,Cc1ccc(S(C)(=O)=O)cc1NC(c1ccc(CN2CCN(C)CC2)cc1)C1CCCC1,DGJRGNZHYKNNGW-UHFFFAOYSA-N
-rxn:2:78973:94440,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(N2CCN(C)CC2)nc1,GPCVZOIVSQSKOM-UHFFFAOYSA-N
-0138633E6BB89642_79B9ABED7AD3B250_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(CC)=C)C=C3)(=O)=O)C,CVMFGOGKPYKRHE-UHFFFAOYSA-N
-01D6B7415379F257_C1C5CD63C73B1248_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC2(C(N)C1=CC=NC=C1)CCC2)C,VKQJQWWEDAUCIQ-UHFFFAOYSA-N
-025758443D02F858_CFFF1BA0BCED38F4_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,MUBUYFHDWRCFHX-UHFFFAOYSA-N
-02A100C57F69B65B_9CB81B494E1C73E4_6038_UN,N(C2=C[N]1N=CN=C1C=C2)C([C@@H](C)C3=CC4=C(C=C3)OCO4)=O,NNFUCEULMPVNSX-JTQLQIEISA-N
-044AEF2D5CE2000A_6F960BCC2770BDFB_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,RWQXJYJATIZUFZ-UHFFFAOYSA-N
-08666CEC8E1423D8_0E3969CC5F02C9EA_6038_UN,N(C1=CC(=C(C=C1)OC2CCC2)F)C(C=C(C)C3=CN=CC=C3)=O,RSBWFRWIVJPGDZ-UHFFFAOYSA-N
-08AAA2C9E3B5C231_8E1AFEC8D9E17F49_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2CC3CCC(C)(C)C4=CC=CC2=C34,ICGVFWIAPYVENW-UHFFFAOYSA-N
-093C6E09FB667851_AAE7E307C05FC9D3_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)Cl)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,LOXSLRWFOGZLQC-SAABIXHNSA-N
-09F4D533722DBDA5_871D8D81E1992F1C_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,WODKGTBYEZXSAF-UHFFFAOYSA-N
-0C491FCB52A3FB1D_5BCA0892CE1BD6CF_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,CITIESHWXFYDRN-UHFFFAOYSA-N
-0D8C17225B2652A7_623A0C2005ED19A8_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(F)C=CC=N2)CC3)N4CCOC4=O,QAYFFELMWCMZFA-UHFFFAOYSA-N
-0F90AD3BCE34F0BE_B67D3CFE927A4417_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=CC=C3,GMESBXYNFJJTDT-UHFFFAOYSA-N
-100F5E8D1F1F18BC_4D9655F6EED2D17F_6038_UN,CC1=[N](C=C(C=C1)OC(C(CC)SC2=NC(=N[NH]2)N)=O)=O,WRNOKTYRSSRWOL-UHFFFAOYSA-N
-10E41E2F8119250D_02E3B945FF8082AA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(SC)C=C5)(=O)=O,NUAHOHMDIPWWIJ-UHFFFAOYSA-N
-136615756BC0EC6D_9FE6C95EEEFD3F8C_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NC4=CC3=C[N](C(C)C)N=C3C=C4,MCRJUCDDFUGSPG-UHFFFAOYSA-N
-13AD06C976F50028_DB2B207999D2E184_6038_UN,COC1=C(C=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,XPWGRCIWXOSULB-UHFFFAOYSA-N
-14DDA64FE98DD714_3BE4A2DF1158C67F_6041_DP,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)N[C@@H](CO)C(=O)O,YQRGEYRNXXBLST-VIFPVBQESA-N
-1540CC3AC76B0383_01111F3BF73E51C6_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(CN(CC)CC)(CC)CC,SGFMWMUEXLYSFU-UHFFFAOYSA-N
-16EEEBF63F2E9FEB_6D5D3E39C1510C10_2875_UN,I[C@@H]1CC[C@H]1[N]2N=NC(=C2)C3=CC(=C(C)C=C3)C(=O)NC4=CC=CC=C4,HHAOMJDSFNUYOE-IEBWSBKVSA-N
-1762957991A9718D_DBB4B439ED5631E7_6003_UN,O(C(CC(=O)O)CC(=O)O)C1=CC=C2C(=C1)CC(OC2=O)=O,ZVEPKVYEZLOVKJ-UHFFFAOYSA-N
-190116FF77623D40_1C10A518EF6EF0EE_7019_UN,C[Si](C)(C)C#CCCC=CC1=C(N=C2[N]1C=C(C)C=C2)C3=CC=C(C=C3)F,IUOXXZHPVJKEMT-UHFFFAOYSA-N
-19468454460E6CE4_C3710E333ACEBD3C_6038_UN,CC(C)C(=C)CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,HKGFJWLOVBOTRY-UHFFFAOYSA-N
-1A2ED2BF99346884_EEFE67D6767B7B3E_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCCCSC[Si](C)(C)C)[NH]N=C2,VNMLMDIKBCCCMR-UHFFFAOYSA-N
-1A6C60ACB2E58AD9_30FD354B3AF05C91_6028_UN,N(C[C@H]1C([C@@H]1C2=CC=CC=C2)(F)F)[S](C3=CC=C(OC)C=C3)(=O)=O,MCXMDWJQRDQZDL-HZPDHXFCSA-N
-1A7DD384DAB6978C_8756782A4F642ADF_6029_DP,OC(=O)[C@@H](N[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O)CCC(=O)O,YOMGRXLPAMUPRI-VKHMYHEASA-N
-1BA0990F74072FD9_1EEA7E88D57AEDC8_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C4=CN=C([N]3N=C(C)C=C3C)C=C4)=O,JAXFONHCRWGOMI-UHFFFAOYSA-N
-1BB65C4F66329943_1E26A6CD3ADAC6C9_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC4=C(C=C3OCOC3=C4)Cl,MSCKLYVALQHGQG-UHFFFAOYSA-N
-1C585429A85E02A6_CF3EB6FECBA54BC7_6041_UN,CCC(C)C1=C[NH]C2=C1C=C(C=N2)NC(C)C(=O)NO,KNLWXQNZXLBGCG-UHFFFAOYSA-N
-1CE2B0A452ACFA23_C4285E375C01C3ED_6031_UN,O(C(=O)CN1CC(=O)NC1=O)CC[N]2C=C(Cl)C(=N2)[N](=O)=O,MJVBZVSSYBTMGB-UHFFFAOYSA-N
-1E31FDACA61C8176_6E9F976A2E4DC3AE_6035_UN,C[S](=O)(=O)C1=NC=C(C=N1)CCOC3=CC2=C(CCC(C)(C)O2)C=C3,DWLDSSBKVCVSMB-UHFFFAOYSA-N
-21D46FA1ADC1640F_39B9338E51B2C996_6038_UN,COC(=O)C(C)(C)[C@H](NC(C(N(C(C)C)O)=O)=O)C1CC1,NONDTZVEYICGJV-SNVBAGLBSA-N
-2499C44F04E3F59E_7B527108F0951D07_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(Cl)C=CC=N2)CC3)N4CCOC4=O,IAGZSDFGSINYLF-UHFFFAOYSA-N
-2749F35FD21D20D2_B92C522252083E5A_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC(=C(C=C2)F)F)CC3=CN=C(C(C(C)C)C(C)C)C=C3,IXJLBVIMESAMLO-UHFFFAOYSA-N
-2768239B3F0C36E8_4D4585F34797B886_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,KYDLAWHEZANUOD-UHFFFAOYSA-N
-27D4D4B0E7A0B29F_0799FFB93793CA7A_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NC(=N[N]2CN3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C5=CC=C(C)C=C5)(=O)=O,CCGRTJBKJZPZKA-UHFFFAOYSA-N
-28415982AFB23465_4CB7788D3F2FFD71_6038_UN,NC(=O)C1=C(C=N[NH]1)NC(C2(C(OCC)=O)OCC2)=O,KGQMDKDHFPZEKD-UHFFFAOYSA-N
-29224EE06488A955_4D6ECECE1775A4C1_6003_UN,OC(=O)CC2(OC1=CC=C(C(NC=C(Cl)Cl)=O)C=C1)CC2,LKOXVHFJYUFNEI-UHFFFAOYSA-N
-2E23A7FE82B0681B_4A92F1D1E0115D9D_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4(C(CC)=O)CC4)=O,TZIDLFHTFQEJSC-UHFFFAOYSA-N
-2E3B2615745EEF08_BDE86F8943452AB7_6039_DP,NC[C@H](OCC(NC(C(NC)=O)C1=CC=CC=C1)=O)C(=O)O,ZTFPYCOWPZXZBO-NUHJPDEHSA-N
-2F0B2EB8A6640583_A09389235EC0FEAB_7019_UN,C(C(=O)NNC1=NC=CC=C1)=C[C@@H]([C@@H]([C@@H](CO)O)O)O,KGSXXXFBYKOLSQ-SBMIAAHKSA-N
-305451423424259D_1460EF7F2E4BC43C_6031_UN,CCC(C)(C#N)C(=O)OCC(F)(F)C1=CC=C(C=C1)F,NVRZQQBBEKZLCM-UHFFFAOYSA-N
-305DF6BF58D3EF95_F5A7FC2C94A61158_6041_UN,OC(=O)CC1=CSC(=N1)C2=CC(=CS2)NCC3OC(OC3)=O,CIZPQZGSDZGDIQ-UHFFFAOYSA-N
-32AF313182EC4CDD_E32757B18675CE69_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC(=CC(=C2)Cl)Cl)CC3=CN=C(C(C(C)C)C(C)C)C=C3,ZTHLNXTVUHBPDV-UHFFFAOYSA-N
-346ED8E26847DD0C_E1E955B938718CD9_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(C(CCC(OC)=O)=C)=O,FDHSQXHRYWRODW-UHFFFAOYSA-N
-34D5BA6C654BE019_390CB9D675397ABB_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,OACXKUOCAHZUJU-UHFFFAOYSA-N
-350F14404AC9B0AA_CD45352528677DAB_6041_DP,CC(C)C1=NC(=NC(=C1)NCC(=C2CNC2)F)N(C)C,VCMAONRDBPPWNG-UHFFFAOYSA-N
-3730943E41A54B77_DBAF6197C8FDF973_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3)OCCN(C)C)(=O)=O,XQBWAYUNYQXOFS-UHFFFAOYSA-N
-388746CB3B04ABDB_B20829D01CBCB5C1_6038_UN,CCOC(=O)C(NC(C1(C(OCC)=O)CC1)=O)C(C)C,NJMKHZUTQHGYMC-UHFFFAOYSA-N
-390C3C5A9A6BED9F_EB1D64E92BF2B448_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(CC(CC)C)N,FJHSABGJEQRNGD-UHFFFAOYSA-N
-3A74B7271AD78FAE_70F0006A6D1B8E65_6029_UN,N(C[C@@]1([C@H](CC1)C2=CC=CC=C2)CO)[S](C3=CC=C(SC(F)F)C=C3)(=O)=O,OJQQZACVSDVYNG-IEBWSBKVSA-N
-3FE5FA6D8229A893_30B75378BCB00481_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)NC2=C(C)[N](N=C2)C[Si](C)(C)C,MZPDRERAUMGECZ-UHFFFAOYSA-N
-43F0D2DAB8F162B3_EAA19F47AB5107B4_6038_UN,CC(C)C(NC(=O)CCCN1C(=O)NNC1=O)C2=NC(=C[NH]2)C3=CC4=C(C=C3)OCO4,GALWELWEBFASHC-UHFFFAOYSA-N
-4454296FC5FB0A12_A3BB45C8E23D1CCA_6041_UN,C1(=CC=C(S1)C(=O)C2=CC=CO2)NC[C]3(C[C](C3)=[CH2])C(=O)O,OSDFAUGMLHYWRI-UHFFFAOYSA-N
-454D8AE7AE9B4F14_60A599156928F429_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=NC=C(B(O)O)C=C3)(=O)=O,CDUAPNZIPWZCJK-UHFFFAOYSA-N
-4645FBCF498D704B_1519DD3ACB5A0E05_6029_UN,ON(CC=C[P](=O)(O)O)[S](C2=CC=C(C1CC(F)(F)C1)C=C2)(=O)=O,JQDVYFVGDYOIDD-UHFFFAOYSA-N
-469342BFF38CAD87_7BDA7144014C5EA8_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4(C(OC)=O)COC4,ZTEYYBVYTBSQEX-UHFFFAOYSA-N
-4A49FEC7025C83F1_5DFF0AA0DFE777EA_7019_UN,CC1CC1C2=NC(=CC(=N2)C)C=CC3=CC=C([Si](C)(C)C)C=C3,CKBUGTGCWIVVOO-UHFFFAOYSA-N
-4C980BFF9E04C40D_2B76B9C139783957_6038_UN,N(C(CC#C)C(=O)N)C(C1(C(N(C(C)C)C)=O)CC1)=O,KBBJIFBDZNJSPM-UHFFFAOYSA-N
-4D9D9536D2C5F145_BD2CE0504687DB61_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4(C(C)=O)CC4)=O,IMFCDHIVGRIZCJ-UHFFFAOYSA-N
-4DBDC54B3826EC09_2B3E3E554DD636E7_6038_DP,CC2=C(NC(C(C)=C1CNC1)=O)C=N[N]2C[Si](C)(C)C,RMSCWEDWVLLJEF-UHFFFAOYSA-N
-4F99A798AF07596C_091A9C01CB2D439F_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC(=N[N]2CN3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C5=CC=C(C)C=C5)(=O)=O,CHCFKRUFBJVIEB-UHFFFAOYSA-N
-51925F6F2BE987CA_FDB21E712AC09D2D_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(CCC(C)(C)C)=O,STCLYTDXAGDYID-UHFFFAOYSA-N
-51A8C4846E2E93AA_EF7CABB71121A9FF_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)F,VJHDUTHHWTTXCM-UHFFFAOYSA-N
-55E7F3A425621AF2_1D695D04B6F7FD00_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCCNCC1=C[N](CC)N=C1)C,XIKJWMUSEOIULG-UHFFFAOYSA-N
-5600B33778EAD62F_043E3F89FE9C7DA2_6041_DP,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCC3(CNC3)COCC[Si](C)(C)C,FBYLZDJWQRGLKN-UHFFFAOYSA-N
-589EC9BB3074938B_4A25DD28EEDB9AF0_6041_UN,O=[N](=O)C1=CC=C(C=C1)C2=NOC(=N2)NC(CC)C3CC3(C)C,RBKWZASGIPCFHW-UHFFFAOYSA-N
-5AB63CD28058A3CB_FD45D4F484B381BA_6041_UN,FC1=C(C(=CC=C1)NC2=CC3=C(C=C2)C(=CC=C3)[S](=O)(=O)O)C4CC4,LQYWXWCPGRBUBY-UHFFFAOYSA-N
-5EA9E5E27630527B_68EBCC5AF03A1568_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(C(C)C)N)(C)C,KGDATYOINYENTC-UHFFFAOYSA-N
-603DFF7D4EC5583A_CDEB1130F6C0F37B_6038_UN,CC(C)C(NC(=O)C1=C(C2=C(C=C1)OCCCO2)[N](=O)=O)C3=N[NH]N=N3,FCKZLHDFPFREHB-UHFFFAOYSA-N
-614C1974EA105F22_C295D47AAD1AD7E9_6038_UN,CCN(N)CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,FZRAUWGIKFCAFZ-UHFFFAOYSA-N
-61817D9550B349AB_231E69E9D139A7B6_6029_UN,N(CC1=C(C=C(C=C1)C(F)F)Cl)[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O,ICIJJUWWFHMXMT-UHFFFAOYSA-N
-6226E4B0CE0E9D9B_7F3E7752214A05C3_6038_UN,N(CC1=CN=C(C=C1)F)C(C3=CN=C(N2CCC(C)CC2)C=C3)=O,PXMKAWZGRNHJPR-UHFFFAOYSA-N
-62365EFA3C0FFDE4_DD360758164CB667_6029_UN,N(C1(CC1)CO)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,KHDZQLHBIXBMJR-UHFFFAOYSA-N
-62E4AE28D53CF4C2_B131643D646E0843_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2(CCC2)C3=C(C=C(C=C3)F)F)[NH]4,CYBACQXIHVOBAH-UHFFFAOYSA-N
-62FF470CC5E6F8EF_C2D23C8E64F6F053_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCOCC3)CC4=CC=CC=C4,YEKWDBLEJPMZHU-UHFFFAOYSA-N
-6565AC62271014C1_4BD52F9BDFB736D8_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)C(C)(C)C,GMABSDDOGMLEPO-OAHLLOKOSA-N
-6781473EF1430B8B_3572F8A343F5AC89_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)C=NC(=N3)C4=NN=C[NH]4)=O,SEZVNGMVVJFEOF-OAHLLOKOSA-N
-689A89D069E6BB47_9738110F6734A3E3_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NCCC[Si](C)(C)C,YGSKIQAVQTYDBG-UHFFFAOYSA-N
-6A9AE9524D90F4BA_16E4D10A43AEA060_6029_UN,N([C@@H](CC#C)C(=O)O)[S](C1=CC=CC(=N1)[N](=O)=O)(=O)=O,TYDAPYSQZXYLGI-ZETCQYMHSA-N
-70C8643ABC1E1430_2AB768C3124DA903_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC(=C(C(N3CCN(C)CC3)=O)C=C4)C)(=O)=O,WYMADYUZRKBURE-UHFFFAOYSA-N
-71579E3508AD4281_9C69ACBECCE40DBB_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3=C[N](N=N3)C4CNC4,JJWPFMCWHDRYRV-UHFFFAOYSA-N
-7368C40E8004A365_4F15BBDB8ABC2CF0_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)F,BYJODBDDSZHLTN-UHFFFAOYSA-N
-7767D57AD04EFE95_6CABFEDF457612F9_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=N[N]6C(=N5)N=C(C)C=C6C)(=O)=O,JPXIFHFPXZJDEU-UHFFFAOYSA-N
-7A6D1B47202ACF80_FACBF5AC087D9482_6038_UN,CCOC(=O)C(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)C=C,MCBLPHALZVNUNS-UHFFFAOYSA-N
-7D41CEE8A6CD42A1_5CE8D61874D5F06E_6029_UN,O=[N](=O)C1=N[N](C=C1I)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,UPSBCSOZEJPBPE-UHFFFAOYSA-N
-80366D072C20EFBA_BCDEBFFBCC732A80_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)F,SLYGEIRXEQIMQI-UHFFFAOYSA-N
-82AA5342BEF845A6_762C3DF7E6DBC246_6034_UN,BrC1=CC2=C(C=C1)N=C(CC#N)N(C2=O)CC4=C(N(C)C3=NC=N[N]3C4)C,XVCVTBZCWRXHGB-UHFFFAOYSA-N
-832554C8F884F23D_6957B2CBA077C3BD_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)OC(F)F)[S](C3=C(Cl)C=CC=C3Cl)(=O)=O,SQKPEIWJZJSJHT-GXFFZTMASA-N
-83903E248369021D_C75B70A1D486DCBF_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C[N]5C)(=O)=O,XIRHPIXCJHWHJU-UHFFFAOYSA-N
-8716934C49C7D466_7A66307C221BD105_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=NN=C5)(=O)=O,PYSQDCJPPPMOMX-UHFFFAOYSA-N
-88665E9938D9D85A_E53F240E13CFB573_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC(C)C(C)(C)CN(C)C,LYDOXVKQQOBVRA-UHFFFAOYSA-N
-89102A6A5E105817_DFDBD339420FA612_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CC(=NO2)C3=NC=CC=C3,AADOTQUTLMLMNR-UHFFFAOYSA-N
-8915E12A2BB6280B_D337E0632480BD1A_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)OC(F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,PDISKCINZKHKKE-GXFFZTMASA-N
-898D03BAB20B6016_7C03BBD95951C55A_2875_UN,OC3(C[N]1N=NC(=C1)C(C2=CC=C(C(C)(C)C)C=C2)=O)CCC3,HCLRAKUOAXYZTG-UHFFFAOYSA-N
-8B8CB8F5803161EA_927D1B778C0B4677_6038_DP,N2CC(=C(F)CNC(C1=CC=C(C(OC)OC)O1)=O)C2,VZQXCXZOZWWOFC-UHFFFAOYSA-N
-8BA1D1D5C588E372_9C7DA853AE3F0AB2_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC5=C(C=C4)CC(=O)CCO5)(=O)=O,KCTDEXHNJCPKNR-UHFFFAOYSA-N
-9050F7B38CA949D8_687E96C8DC917177_6031_UN,NC(CB(O)O)C(=O)OCC1=NC(=NO1)C2=C(OC)C=CC=C2,LLWAVRRDUCBPCM-UHFFFAOYSA-N
-91516511BD4858F7_D08648ACFE03235B_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=C(Cl)C=C(S2)I)(=O)=O,AKACSFKEYOQGID-UHFFFAOYSA-N
-937FD8D4A8275426_B4CE0DDB02BEEDD9_6038_UN,CC3(COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C3)C4=CC=C(C=C4)F,WBHBEDCWDHCOBS-UHFFFAOYSA-N
-970ED89D15786520_6FBE7798C402C101_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(CNC2)C(=O)O)C(=O)O3,APJDINNFWNZQLJ-UHFFFAOYSA-N
-9A1BFB52161FEC74_455C6CBE012063DD_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,YJLAFWYCOYBNKQ-UHFFFAOYSA-N
-9B593DF63D8C0220_ED2C959FDC0A3D89_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,QIQHPEVKRMGTPJ-UHFFFAOYSA-N
-9C98EDDCD0787AD9_04EC0E03A8ACC525_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NC(C)C2CCCCN2,MONNZMKWZFNNPQ-UHFFFAOYSA-N
-9CBC2F4E5910D044_C1D7226AB5174688_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCCCCCC(C)=O,YXKUZKLXBTZYJZ-UHFFFAOYSA-N
-9EE2F1C7559E9A6C_3327ACF463BF8ABA_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N(C(O)=C3N=CC=CC3=O)C4=CN=CC=C4,SPIYXGWDAXIZSA-UHFFFAOYSA-N
-A3231C7EB13D03C6_1D97CC9E0AF4BF35_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCCCCC(C)=O,JZLUNZXCBIGTFK-UHFFFAOYSA-N
-A35E71AEBCC4A68A_CF75E2C7C9604F74_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)Br,XPBUGHFQMSCPHX-UHFFFAOYSA-N
-A3881456443D08D4_0325549861514E71_6029_DP,OC(=O)[C@@H](N[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O)CC(=O)O,ANCVJNZKDQUHRJ-REOHCLBHSA-N
-A396EF85DA749DD4_452C9500CA1CFB49_2201_UN,FC(F)(F)C1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)C4=C(S3)CC(CC4)C(C)(C)C,YDFICHXRZUIKIK-UHFFFAOYSA-N
-A5430CE0F518950A_C4E5B780397AA857_6038_UN,COCC(OC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)C[N]3C=CN=C3[N](=O)=O,LABMWFLBAVDYOC-UHFFFAOYSA-N
-A5EA2D14C79C5D27_150A81779617E57B_6029_UN,N(C(C1CC1)C2CC2)[S](C3=CC=C(CCC)C=C3)(=O)=O,ILSYQFWPPWUVQY-UHFFFAOYSA-N
-A7B4C2176D9113E2_32498E42EF0F92A6_6041_UN,C2(=C1N=CC=CC1=CN=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,OVMRXNSQUBOIRT-UHFFFAOYSA-N
-A8BAD4DE99D50D86_F705F1051A3C6799_6038_UN,CCOC(=O)C[C@@H](NC(C(N(C(C)C)O)=O)=O)C1CC1,TWNMBAIQSNQOOE-SNVBAGLBSA-N
-AA2A42E36DB230A6_65AEE78C85F45840_2875_UN,OC(=O)[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C3=CC=CC(=C3)C(C)(C)O,SSWVPYXJASYFTP-AULYBMBSSA-N
-AB79677112214F37_8EC9A0201A94F60B_6041_DP,N1CCN(CC1(C)C)C2=NC(=NC=N2)NC4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,XISOKYUHWLVIHP-UHFFFAOYSA-N
-ACE73B51093B70ED_37B0776B25F81642_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CCC(C)(C)C)=O,IJGQODPYMRMZGR-UHFFFAOYSA-N
-B02D4A9431A4C083_304A178EAC67F206_6038_UN,CC(C)CN1C(OC(C1)CNC(C(CCN(C)C)=C)=O)=O,OYZUFPOBOJDBMG-UHFFFAOYSA-N
-B0D10DDC9D1AA56F_4206DC1C3FD4C153_6029_DP,O[C@H]3C[C@@H](N[S](C1=CC=CC(=C1)C2CC(F)(F)C2)(=O)=O)C3,CZVFISQJANWMSN-TXEJJXNPSA-N
-B244D7E5EB9D4266_BFFDA7650172E48B_6029_UN,N(CB(O)O)[S](C1=C[N](CC(C)(O)C(=O)O)N=C1)(=O)=O,RFGDEZXLWZNYFX-UHFFFAOYSA-N
-B34F66986980FAF7_55A90CFF896325D7_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CCC(CCC)=C,UAUMUNIUWQLKGN-UHFFFAOYSA-N
-B5154DCDCCF0CD6B_5647504AD8B5FF5E_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(C=C(CCC)C)=O,XTAJURUZHPPRNY-UHFFFAOYSA-N
-B51BDC7113B29C79_BF5351411E56823A_6038_UN,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(C3=C(C)N=C(C=C3)C4CC4)=O,FYPYHXRBICZPGX-UHFFFAOYSA-N
-B621E1746A8E3AE6_BD51607570A56B3D_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NC(C)C2CCNC2,XUHFTQQGGCGAAR-UHFFFAOYSA-N
-B7F166E329109712_4421389629D8195D_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(OCOC)C=C(C=N2)Cl)(=O)=O,HMROVIUXOYSBRK-UHFFFAOYSA-N
-BCC513D99CED8131_D3910289D3927B32_2875_DP,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3(CNC3)O,GRIMQTMWTHNDBP-UHFFFAOYSA-N
-BD53062E0B9DD1F1_0D61BA6C379440F1_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[C@@H](CCC(=O)O)C(=O)O,GGWNOXCDSOBECR-JTQLQIEISA-N
-BDBF5164CFAB34CE_AF90ABB1D448956A_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NC=C(N=C2)NC3=C(C=CC=C3)[As](=O)(O)O,FCNPJXAJZOMCTE-UHFFFAOYSA-N
-BE66BD5E14080195_2B4C1AC4308CF523_6039_UN,CC3=CN1C(=NCC(C1)OCC(=O)NC2=NN=N[NH]2)C=C3,KRWWKHJNPZMIPZ-UHFFFAOYSA-N
-BE94984C698A8149_A43400C29D4267EE_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=CC=C3Br,IDIRJDILPJKLBN-UHFFFAOYSA-N
-C3321466BC37BF3D_366D6F0040378547_6038_DP,N2CC(CNC(C1=CC=C(C(N)=O)[NH]1)=O)(COCC[Si](C)(C)C)C2,HZFZHASXXUNHGB-UHFFFAOYSA-N
-C4335E363BC5AAC0_DE90EC1BA3096C84_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OC2)C=C(C=C3)F)[S](=O)O,SNRRDARIUMJLSL-UHFFFAOYSA-N
-C5C223F292393978_3CC1E3DE114EBD0E_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(C(O)CC(F)(F)F)C=C2)(=O)=O,AUMWLHWDVIAKOH-UHFFFAOYSA-N
-C77AF462996FD396_D97096C1356156BD_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,WRSKIQICUBZSTG-UHFFFAOYSA-N
-CD52CCF86AF05F76_3ABF5962A37326D5_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(S5)N6CCCC6)(=O)=O,DZLIRAXMVNZIPL-UHFFFAOYSA-N
-D013838C494A5EA5_A3AF3459F61550BC_6003_UN,O(C(C(F)F)C(=O)O)C1=CC=C2C(=C1)CC(OC2=O)=O,AFFWJCYLXGSKOZ-UHFFFAOYSA-N
-D576CE886127238E_E659B2B13EE615F5_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)F)F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,QJCPSMSCNIUOAP-WMLDXEAASA-N
-D6276644BA065F1C_22BC831DFD48F264_6038_UN,CCC2=CN=C(COC(CN1C(CC(C)(C)O1)=O)=O)S2,CACHUGCIYAIGJG-UHFFFAOYSA-N
-D6DA91D88BEF5D97_459F16D6349A0B3B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CCC3(C)N=N3,BRLSIDXRQBNKHL-UHFFFAOYSA-N
-D9214106967837CF_2A3880CA502C3A0E_6038_UN,CCOC1=C(C=CC(=C1)N4CCC(OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)CC4)[N](=O)=O,NYVKHONKNHWEFL-UHFFFAOYSA-N
-D9D64735D1F66C3C_D1697F8C73D68DE6_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,KUYXBXOTBQEESE-UHFFFAOYSA-N
-DA089284DE63A28C_794EE25DAA4E2BD7_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)CCN2C(OCC2)=O,PMGNRSHSHKAZMA-UHFFFAOYSA-N
-DC51525E09675C99_374CCC4D39382659_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C3=N[NH]C(=C3)C4(C)CC4)=O,PLWMKLXUGCKPCF-UHFFFAOYSA-N
-DE15D8F029976F79_ED19EF6AA6816676_6029_UN,N(CCC1=CC(=NC=C1)O)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,CXMCIUKRQDLVIG-UHFFFAOYSA-N
-DECDDFC378861DBC_7C4A1B8F6CAFCD6E_6035_UN,C[Si](C)(C)C#CC(OC2=C1C=CN=CC1=NC=C2Br)CC3=CC=CC=C3,UQTUYCUGGWGWDP-UHFFFAOYSA-N
-DFC762A017479A71_B96EC2748540075B_6034_UN,ClCC(=O)N4CCC1=C(C3=C(N1C[C@H](C2=N[NH]C(=N2)C)N)C=CC=C3)C4,JZHVCQMYHGOSFC-CQSZACIVSA-N
-DFD6C7C6C63E0C45_594002BCD13B8BA5_6038_UN,COC1=C(C=C(C=C1)CNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,ZUYZCLDGPLFYEB-UHFFFAOYSA-N
-E1F0CDDD368FAC94_7A7E25044B71F96C_6038_UN,CC(NC(C1=N[NH]C(=C1)CCCCC)=O)CC2=C[NH]C3=C2C=C(C=C3)F,HODMIEQBSLCDAK-UHFFFAOYSA-N
-E38A0AE39C08C059_26A9F0CE5E3C4767_6038_UN,N(C1=CC2=C(N=C1)C=CC(=C2)F)C(C4=CC3=C([NH]N=C3CC(C)C)C=C4)=O,LLRGALMOCBKYFN-UHFFFAOYSA-N
-E4B4F053EA095DAA_487142FDA71559E7_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3C[S](=O)(=O)Cl)OC)(=O)=O,CXTYIIFPBLLQNX-UHFFFAOYSA-N
-E4F6C092DF5C67EB_2609127F6D914238_6028_UN,N(CB(O)O)[S](C2=NN=C(COC1=CC=C(CC)C=C1)[N]2CC(C)C)(=O)=O,CAHRBQGFMZMPAN-UHFFFAOYSA-N
-E5AA5D580966CE1D_64855F0E0E771F6F_6038_DP,O(C(C=C)C1=C(C=CC=C1)F)C(C3(ON=C(C2CNC2)C3)C)=O,PEQWJSQWVZVQMT-UHFFFAOYSA-N
-E8D792AD7AC49383_EBF172C50E821B11_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=CN=C(OC(C)C)C=N3)=O,XLSPLUKKBBRJSY-UHFFFAOYSA-N
-EAC0CD38358D7897_F268DCAB7A46C22E_6035_DP,N3CCC(OC1=CC=NC2=C1C=C([S](C(C)C)(=O)=O)C=C2)C(F)C3,IFFYFFLNXGWWME-UHFFFAOYSA-N
-EC3BD0C551195CFD_F1DA680EB2ABCC6C_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC(C)(C)CC#C,ZBKSFEZDUAXKOJ-UHFFFAOYSA-N
-ECE447B23CCA5C52_F50900C1F940A339_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)Cl,LTTCTLXRKJULTO-UHFFFAOYSA-N
-ECEB099C92531705_FAA541B9FE1B681A_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2=CC=CC=C2)NC3CC(C3)(O)C4(CCC4)O,IXNZSIRMBJJEHJ-UHFFFAOYSA-N
-F2D8CF64FCB5A887_5C1814189F6F8B29_6028_UN,N(CB(O)O)[S](C3=NN=C4N(C1=C(C=C(C)C=C1)C)C(=O)C2=C(C=CC=C2)[N]34)(=O)=O,TZHOKDPQEONEHU-UHFFFAOYSA-N
-F31E84FA5C9DE9B0_17AAA4826BF88675_6034_UN,O=C1C(=CN(C(N1CC3=NN=C(CC2=C(C=CC=C2)Br)[NH]3)=O)C4CNC4)C#N,ZODZYJBIOWWZKZ-UHFFFAOYSA-N
-F55617187F84CD3D_34DC678671A0F12D_2201_UN,CC4C3=C(C1=C(SC2=C1CCC(C)C2)N=C3C(Br)C(C)(C)C4)C5=CC=C(C=C5)Br,DTOITRRNYCBOAF-UHFFFAOYSA-N
-F848FB218701C83D_1890E2C74E8A6936_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3CCC(C)(C)N3,WYOWUIPAOVWNJM-UHFFFAOYSA-N
-FD621612915DE86E_338E9CA07D8FC546_6029_UN,N(C(CC1CCC1)C#C)[S](C3=CC=C(CC(O)C2=CC=C(C=C2)Cl)C=C3)(=O)=O,MIVNNSQRHMNIDA-UHFFFAOYSA-N
-rxn:1:43023:17843,CC(C)C1C(=O)Nc2c(-c3cn(CC#Cc4cccc(C(F)(F)F)n4)nn3)cc(C(=O)C3CCCCC3)cc21,VOQNLQYFSOROHH-UHFFFAOYSA-N
-rxn:1:46958:26629,Cc1cc(F)cc(C(O)C(O)Cn2cc(C3CC(=O)N(c4ccc(N5CCCCC5)c(F)c4)C3)nn2)c1,IIANDWGXBOCRJS-UHFFFAOYSA-N
-rxn:1:47117:26868,Cc1cc(C(O)C(O)Cn2cc(C3CC(=O)N(c4ccccc4C(=O)N4CCCC4)C3)nn2)cnc1F,XUBIRBUJQYVYDQ-UHFFFAOYSA-N
-rxn:1:47647:29382,O=C1Cc2cccc(C(O)C(O)Cn3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)c2N1,MOIYLMZFDKZGFI-UHFFFAOYSA-N
-rxn:1:47648:29382,O=C1Cc2ccc(C(O)C(O)Cn3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)cc2N1,UPVJPLHQLXHJLM-UHFFFAOYSA-N
-rxn:1:47663:12315,CC(=O)N1CCC(C(=O)Nc2ccc(-c3cn(CC(O)C(O)c4cccc(C(F)(F)F)c4)nn3)cc2)CC1,HXDNKQOEAJDQOW-UHFFFAOYSA-N
-rxn:1:48028:22011,Cc1ccc(C(C)n2nc(C3CCCC3)cc2-c2cn(CC(O)C(O)c3cccc4c3C(=O)C(=O)N4)nn2)cc1C(F)(F)F,PECJXTSECNBGAK-UHFFFAOYSA-N
-rxn:1:48028:28751,CC(=O)SCC1C(c2ccc(-c3cn(CC(O)C(O)c4cccc5c4C(=O)C(=O)N5)nn3)cc2)C1(F)F,YMZRQGDGRUJHPD-UHFFFAOYSA-N
-rxn:1:48412:17836,CC(C)C(=O)c1cc(-c2cn(CC(O)C(O)c3c[nH]c4cccc(Cl)c34)nn2)c2c(c1)C(C1CCCC1)C(=O)N2,SKWYJZOVSBWSGT-UHFFFAOYSA-N
-rxn:1:48828:34175,CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cn(CCC(O)C(O)c3c(F)ccc(F)c3F)nn2)nc1,QYQMQSIRNLUWFY-UDTLNKQYSA-N
-rxn:1:48954:17822,CC(C)C(=O)c1cc(-c2cn(CCC(O)C(O)c3cnc4c(c3)CCN4)nn2)c2c(c1)C(C1CC1)C(=O)N2,UZJUUDRLNVRXEE-UHFFFAOYSA-N
-rxn:1:49141:28751,CC(=O)SCC1C(c2ccc(-c3cn(CCC(O)C(O)c4cccc5c4C(=O)C(=O)N5)nn3)cc2)C1(F)F,UGUYXTOCKNHXQN-UHFFFAOYSA-N
-rxn:1:49514:8385,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCCC(c5cc(Nc6nc(C)cs6)nc(C)n5)C4)nn3)c2)C1(F)F,VSXHKAJAGVWMNI-UHFFFAOYSA-N
-rxn:1:49653:17843,CC(C)C1C(=O)Nc2c(-c3cn(CC4C(c5cccc(F)n5)C4(F)F)nn3)cc(C(=O)C3CCCCC3)cc21,GMYRYXPJICJCTI-UHFFFAOYSA-N
-rxn:1:50318:17792,CCCC(=O)c1cc(-c2cn(CC3C(c4c[nH]nc4C(=O)OC)C3(F)F)nn2)c2c(c1)C1(CC1)C(=O)N2,KKQYVBRXJUNGRG-UHFFFAOYSA-N
-rxn:1:50319:10386,CN1CCN(c2ccc3[nH]c(C(=O)Nc4cccc(-c5cn(CC6C(c7cnc(C(=O)O)nc7)C6(F)F)nn5)c4)cc(=O)c3c2)CC1,UWGWVIQNZVSULC-UHFFFAOYSA-N
-rxn:1:50734:8285,CCC(=O)c1ccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)cc1,YRSUVFKUIPNQSR-UHFFFAOYSA-N
-rxn:1:50785:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5cnn(C)c5C(=O)OC)C4(F)F)nn3)c2)COC1,WOHHZVZIAKWDBZ-UHFFFAOYSA-N
-rxn:1:50788:17801,CCC1C(=O)Nc2c(-c3cn(CC4C(c5cnn([C@@H](C)C(=O)O)c5)C4(F)F)nn3)cc(C(=O)C3CCC3)cc21,PYSFYNBXKQDTLN-VZMQPLQMSA-N
-rxn:1:50872:17848,CCCC1C(=O)Nc2c(-c3cn(CC4C(c5cccnc5C(=O)OC)C4(F)F)nn3)cc(C(=O)C3CCC3)cc21,BTIWMRAKJCYTGG-UHFFFAOYSA-N
-rxn:1:50874:34074,CC1(C)CCN(c2ccc(C(=O)NCc3cn(CC4C(c5ccc(CC(=O)O)nc5)C4(F)F)nn3)cc2)CC1,BWESQWCTPKCYLI-UHFFFAOYSA-N
-rxn:1:50882:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cccc(C(=O)OC)n5)C4(F)F)nn3)c2)CC1,RSXOHSPXSZUOLH-UHFFFAOYSA-N
-rxn:1:53468:17843,CC(C)C1C(=O)Nc2c(-c3cn(CCC4C(c5cnccc5Cl)C4(F)F)nn3)cc(C(=O)C3CCCCC3)cc21,LENCNAKYDMSBMV-UHFFFAOYSA-N
-rxn:1:54048:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5cc(C)c(O)c(C)c5)C4(F)F)nn3)c2)CC1,ITAMOQMNDSHRTA-UHFFFAOYSA-N
-rxn:1:54545:35444,Cc1ccc(C(=O)NC2CCC(C)(C)CC2)cc1-c1cn(CCC2C(c3cnc(C(=O)O)c(C)c3)C2(F)F)nn1,WFJGKWHDFTWBNG-UHFFFAOYSA-N
-rxn:1:54771:4612,CC(C(=O)NCc1cn(CCC2C(c3ccc4c(O)ccnc4c3)C2(F)F)nn1)N1CCC(O)CC1,QNYJYXPSLRUSAP-UHFFFAOYSA-N
-rxn:1:54868:33939,Cc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1-c1cn(CCC2C(c3ccc(C4(O)CCNCC4)cc3)C2(F)F)nn1,SDUXECLGEWYKKJ-UHFFFAOYSA-N
-rxn:1:54880:13693,O=C(Nc1ncc(Br)nc1N1CCCC1)c1ccc(-c2cn(CCC3C(c4ccc5oc(=O)c(C(=O)O)cc5c4)C3(F)F)nn2)cc1,MBZTUICSEAWVOR-UHFFFAOYSA-N
-rxn:1:55281:24721,O=C(Cn1cc(C2CC(=O)N([C@@H](CS)C(=O)O)C2)nn1)Nc1cccc(C(F)(F)F)c1,XAQDQOXMHKLYCZ-SBNLOKMTSA-N
-rxn:1:57683:24875,CC(=O)N1CCC(N2CC(c3cn(CCCc4ccc(Cl)c(CO)c4)nn3)CC2=O)CC1,NNTLLGHESRBADJ-UHFFFAOYSA-N
-rxn:1:60308:12746,COc1ncccc1C(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCN(c5ncc(Br)cc5C)CC4)cc3)nn2)CC1,RCOBIOYHCAECIW-UHFFFAOYSA-N
-rxn:1:60314:13334,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)c3)nn2)CC1,WGKYVDIEKPOBBM-UHFFFAOYSA-N
-rxn:1:61247:13693,CC(C)(C)CC(=O)N1CC(n2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)C1,GJGRWEHSEXZJIN-UHFFFAOYSA-N
-rxn:1:62014:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(-c4ccc(C(=O)N5CCC(CO)CC5)cc4)nn3)cc2)CC1,JROJZKSSENBODT-UHFFFAOYSA-N
-rxn:1:62016:32946,CC(=O)N1CC[C@H]1C(=O)Nc1ncc(Br)nc1-c1cn(-c2ccc(C(=O)N3CCC(CCO)CC3)cc2)nn1,DFLTXIWISZKQJO-NRFANRHFSA-N
-rxn:1:62645:17806,CCCC(=O)c1cc(-c2cn(CC3CC(=O)N(C(C)C(=O)O)C3)nn2)c2c(c1)C(C)(C)C(=O)N2,JHJNGEQOEJWARC-UHFFFAOYSA-N
-rxn:1:62797:19362,CC(C)(CCl)C(=O)Nc1cccc(-c2cn(CC3CC(=O)N(C(CS)C(=O)O)C3)nn2)c1,KFLFXMYMVANAFA-UHFFFAOYSA-N
-rxn:1:62959:13693,CC(=O)c1cc(Br)ccc1N1CC(Cn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1=O,GYBOLJFLVXCSBN-UHFFFAOYSA-N
-rxn:1:63179:13334,COC(=O)c1cccc(N2CC(Cn3cc(-c4cccc(C(=O)Nc5ncc(Br)nc5N5CCCC5)c4)nn3)CC2=O)c1,IFWPYWFJTVBCCB-UHFFFAOYSA-N
-rxn:1:63400:25964,Cn1ncc2c(N3CC(c4cn(CC5CC(=O)N(c6ccccc6C#C[Si](C)(C)C)C5)nn4)CC3=O)cccc21,FFWZQQQUUUROJZ-UHFFFAOYSA-N
-rxn:1:63400:27338,C[Si](C)(C)C#Cc1ccccc1N1CC(Cn2cc(C3CC(=O)N(c4cccnc4N)C3)nn2)CC1=O,UQEOJQDZLNHONC-UHFFFAOYSA-N
-rxn:1:63400:27339,C[Si](C)(C)C#Cc1ccccc1N1CC(Cn2cc(C3CC(=O)N(c4cccnc4O)C3)nn2)CC1=O,LQJNVRDRZGRRED-UHFFFAOYSA-N
-rxn:1:63400:27529,C[Si](C)(C)C#Cc1ccccc1N1CC(Cn2cc(C3CC(=O)N(c4nnc(-c5ccccc5Cl)[nH]4)C3)nn2)CC1=O,WRZKZIRFGKMOJW-UHFFFAOYSA-N
-rxn:1:63855:24867,CC(=O)C=C(C)N1CC(c2cn(CC3CC(=O)N(c4cccc(-c5n[nH]c(C)n5)c4)C3)nn2)CC1=O,WUBMUFKGPGBCNO-UHFFFAOYSA-N
-rxn:1:64186:24803,CC1(C)CC(N2CC(c3cn(CC4CC(=O)N(Cc5ccnc6[nH]ccc56)C4)nn3)CC2=O)CC(C)(C)N1,VABNRLWAYVNFTJ-UHFFFAOYSA-N
-rxn:1:64336:34904,CCOC1CN(C(=O)c2ccc(C)c(-c3cn(CC4CC(=O)N(c5c(F)cccc5CO)C4)nn3)c2)C1,HRANMDJBBCPEIS-UHFFFAOYSA-N
-rxn:1:64464:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4ccc(Br)c5ncccc45)C3)nn2)OC1=O,UJEXACZJEBYDCG-UHFFFAOYSA-N
-rxn:1:65386:17807,CCC(=O)c1cc(-c2cn(CC3CC(=O)N(c4ccnn4CCO)C3)nn2)c2c(c1)C(C)(C)C(=O)N2,BLNKBFAVSKLWRV-UHFFFAOYSA-N
-rxn:3:50434:17584:96258,CC(C)c1cc(-c2cn(CC3C(c4cc(C(=O)NC5CCC(C)(F)CC5)ccn4)C3(F)F)nn2)nn1C1CC1,HLXHNWBYVQIVMY-UHFFFAOYSA-N
-rxn:3:57887:24206:127989,COC(C)c1ccc(C)c(NC(=O)c2ccc(CCCn3cc(C(C)N4CCC(F)(F)CC4)nn3)nc2)c1,ARYAPGDSSQAJGB-UHFFFAOYSA-N
-00A23EB2F3C857B8_EA5C2191E547A273_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3Cl)(=O)=O,HEXIDMNESAGPJN-UHFFFAOYSA-N
-013ED9120A7BE0B8_F413C9FBA7D9DBBD_6028_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)[S](C4=[N](=O)C=CC=C4)(=O)=O,VRRXFIJCUZOTDQ-UHFFFAOYSA-N
-01432C5FEBD2EE1B_81A7464B48BDF11D_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)OC)(=O)=O,QTARAZQLMXRNHQ-UHFFFAOYSA-N
-02689AF6E53826E7_FFFEFF4D44F6A7E0_6041_UN,C1(=CC2=C(C=C1)[S](CC2)(=O)=O)NC3=C[N](C)C4=C3C=CC=C4,JPWDHELNPFDOHC-UHFFFAOYSA-N
-028815359E1C9762_08B1CAFD91C92A4F_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC3=CC2=C(CCCN(C)C2)C=C3,RSGBNRPXJUUJIZ-UHFFFAOYSA-N
-039CE4FEC0BADD5E_EBD7EE8A0631EF29_6038_UN,CC(C)N1C(=NCC1)CNC(C2=N[N](CCN(C)C)C=C2)=O,CUGWZXXJVYBXRD-UHFFFAOYSA-N
-041F8C58DFFCEF08_1807E43DCF969B82_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C3CCCC2=C(C=CC=C2)C3)[NH]4,ZJUMQGXXWTWPGT-UHFFFAOYSA-N
-059DF0390CED84D2_068C9CCB2B914867_6041_UN,C[N]1C=CC2=C1C=C(C=C2)NC3=CC4=C(C=C3)C=C[S]4(=O)=O,VNMGWLZIQAYJAM-UHFFFAOYSA-N
-0684F8DC264425C0_99EEB3B214FCAF5D_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)NC2CC(F)C3=C2C=CC=C3,JSQJRMVHGISZBY-UHFFFAOYSA-N
-070EE92606DCAEB6_3A418D94787EBECC_6041_UN,C1(=CC2=C(C=C1)[S](CC2)(=O)=O)NC4=CC3=C(C=CC(=N3)OC)C=C4,JHBTWHFVRVOZFZ-UHFFFAOYSA-N
-07FAFDF79F5CD4FA_70AC40A11D78DD4F_6041_UN,C1(=CC2=C(C=C1)CC[S]2(=O)=O)NC3=C[N](C)C4=C3C=CC=C4,FUMOIDSMGZWOLE-UHFFFAOYSA-N
-0825B5FD27D1C0D4_5DED266DAF718CFB_6038_DP,CC1=C(C3=C(C=C1)C(NC(C2=C(C(O)=O)C=CC=N2)=O)CO3)C,ZYIBJLPOQOVNLO-UHFFFAOYSA-N
-084C475CFFA35E5D_34099C22A17B41AA_6041_UN,O[S](=O)C1=CN=C(C=C1)NC2C3=C(OC(C)(C2)C)C=CC(=C3)F,SBDDIEDVYYXUBX-UHFFFAOYSA-N
-0ABAD31CC990A067_4A4707815618FDDF_6038_UN,NC(=O)C1=C(C=CC=C1)NC(C2(C)COC(=O)OC2)=O,PLZZNHOXZZFWRU-UHFFFAOYSA-N
-0BAB3059472771D5_E261406EEDD4F447_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=C(NC(C)=O)O3)=O,ROSOYILESVIEEW-LBPRGKRZSA-N
-0C3F5CA8E0BBA121_81BF1E179DF30BED_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=C(C=C(C=C2)Cl)Cl)(=O)=O,KFACFLRHPBYSEY-UHFFFAOYSA-N
-0D3FC525A6299051_E952E867DF2807A2_6005_UN,C1(=CC(=CC=C1)N2CCCCC2)C4=CC3=C(C=C(OCCOC)C=C3)C=C4,AKVCOMLHIBJWQQ-UHFFFAOYSA-N
-0DCE16C3C1B6CA32_4390D6FDB17105BA_6041_UN,FC2=C1C=C[NH]C1=CC=C2NC3=C(C)C=CC(=C3)[N](=O)=O,PPBKYYQIXFTBEA-UHFFFAOYSA-N
-10C7C06C0BBA12F3_FE880902E821B566_6041_UN,CC1=C(C=CC(=C1)NC3=CC2=C(C=C[N]2C)C=C3)[N](=O)=O,WBONBUSQEFZNDF-UHFFFAOYSA-N
-119BB0F390CBC1B2_76BE4077D0EA985F_6039_UN,O([C@H]1CCNC1=O)CC(NC2=CC=C(NC(C)=O)C=C2)=O,LGQJNKRJFNAQAV-LBPRGKRZSA-N
-11FD47C17017CE20_806F3288A81B9131_6038_UN,CC(C)C1=N[NH]C(=C1)COC(C2=C(CC)OCCC2)=O,RUVBHRWKKSMIDV-UHFFFAOYSA-N
-12342C4264E90FEA_90A31EF303A11534_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C=C3CCC(C)C3,GMPHPXBTFJPRBG-UHFFFAOYSA-N
-124A35F9E6D60B66_64A8CCBC50ACE265_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4(C3=CC=N[N]3C)CC4)=O,UZBMAYBSFXKUGI-OAHLLOKOSA-N
-139092D812761A4C_226001C0B0F10A0C_6038_UN,O(C1=CC=C(C=C1)N2C(=O)C=CC2=O)C([C]3(C)C[C](=[CH2])C3)=O,POPCDXBQQCRNDJ-UHFFFAOYSA-N
-13980E48C452B07D_577BE0F2B514AE8D_6028_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)OC)(=O)=O,KAKKVRVJVHVQNB-GASCZTMLSA-N
-145DD826EC6F4AB2_20D501F0347DF5F2_6041_UN,O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NCC34CC3(C)C4,KVUGINZOSRIMDT-UHFFFAOYSA-N
-148A0019A58EFBDE_937C1A25753B3E9F_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCC(C)N(C)C)=O,LPVJWXAJJDKCHO-UHFFFAOYSA-N
-1516E1F9CBDA3397_5E7DBF398FDFF19E_6041_UN,C1(=CC2=C(C=C1)CC[S]2(=O)=O)NC3=C(OC)C=CC=C3C#N,JVUCBYSBFKXPQV-UHFFFAOYSA-N
-154D97F4A02B0C07_ED5E711C37929A65_6005_UN,NC1=C(C=C(C(=C1)Cl)C3=CC2=C(C=C(OCCOC)C=C2)C=C3)N,QVXKABUXUWBVHV-UHFFFAOYSA-N
-15D574FE0698169F_0799173C2BC94918_6038_UN,N(C1=C(C=C(C(=C1)F)C#N)F)C(C2=N[NH]C(=C2)CCCCC)=O,BWYQFRUXYNCOPB-UHFFFAOYSA-N
-15F0F79B324A376D_1BD639C13AF28934_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=N[N](C)C(=C3)C4CC4)=O,MNNNTDCNWGACGZ-UHFFFAOYSA-N
-161853B33CC49427_6B256F2EFF993546_7017_UN,N4([S](=O)(=O)C1=C(C=C(C=C1)I)Br)C(CC2=CC3=C(C=C2)C=CC=C3)C4,SPZLJZNEAMORPO-UHFFFAOYSA-N
-164ED323AD53237A_76C2FC4417B2009D_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)Br)[S](C3=CC=C(C=C3)I)(=O)=O,YYJMAHHYALZQNZ-UHFFFAOYSA-N
-16968A3545E8621B_C86C8D53136AF395_6038_DP,CCC1=CC(=CC(=C1)NC(CNC2CCNC2)=O)CC,YXQKCDVGKBOLFI-UHFFFAOYSA-N
-18D5857E02D39CCA_09F62C00EFBC277B_6041_UN,C2(=C1[NH]C=CC1=CC=C2)NC3=CC(=C(C=C3F)C#N)OC,QOSMMZGEZFSYLW-UHFFFAOYSA-N
-19095716D6C1266B_1C21E6602B96CA8D_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C3=C(C(C2=CC=C(OC)C=C2)=O)C=CC=C3)=O,QDSWLWMMKSCAQH-INIZCTEOSA-N
-1A1685CAF5BB9261_06997CB991E6D493_6029_UN,BrC1=CCCN(C1)[S](C2=C(OCC(C)=C)C=CC=C2)(=O)=O,FGEHXPYLBXCRHX-UHFFFAOYSA-N
-1B1173196DFD600F_341F0E874CCDE3F7_6038_DP,N2CC[C@H](CNC(C=CC1=C(OC)C=CC(=C1)C)=O)C2,QTITWVZKZRMALK-ZDUSSCGKSA-N
-1C0459A111C6CAAF_1A26EE882D6985E1_6038_UN,CN(C)CC1=CC(=CN=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,WTDPOYYGNQHQSZ-UHFFFAOYSA-N
-1C56A2A0F17E97B0_A60600E6A2595946_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(C)CC2)C(=O)O3,NJAPAQCWONTYLI-UHFFFAOYSA-N
-1C79F16FC563CDEC_1F4B8624224E53C9_6038_UN,N(CC1=CC(=CC=C1)N=[N]#N)C(C2=CN=[S](C)(C=C2)=O)=O,LWBQBLLXYDIDFZ-UHFFFAOYSA-N
-1DFA0FCF7DF8A713_B0CEDCB9B8204D46_6009_UN,C1(=CCNCC1)C3(C2=CC(=C(O)C=C2OC(C3)=O)Cl)C4=CC=CC=C4,XGRNXJXJKILIBT-UHFFFAOYSA-N
-1E666F81CC8AEF91_A05FA0A1FC8F338F_6005_UN,FC1=CC2=C(C=C1)[NH]C(=C2)C3=CC(=C(C=C3)F)[N](=O)=O,NWEFGDSMWFZRFC-UHFFFAOYSA-N
-1F42C20F2B41437C_0705FAD322008B65_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=CC(=C(OC)C=C2)C3CC3)=O)C=CC=C4,UVTKGKYHNLXMGH-FZKQIMNGSA-N
-20F692ABC5C1EDA1_5BBB8A587A2808CD_6041_UN,C1(=CC2=C(C=C1)OCCC2=O)NC4=CC3=C(C=C[N]3CCOC)C=C4,DHZNISNYOSGXNS-UHFFFAOYSA-N
-21190AD56298E380_908004142D242F23_6005_UN,BrC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)Cl)[N](=O)=O,NUVNYTNSLIQDFB-UHFFFAOYSA-N
-21385C61F1BC4166_A476377582D742BE_6038_UN,O([C@@H]1COC(=O)C1)C(C3CN(C2=CC=CC(=C2)CC)C(C3)=O)=O,KOYZZWBHHMRQRD-PYMCNQPYSA-N
-21BB3CAB94A37D1D_FD2DD60F26C01001_6038_DP,N4CCC1=C(C=CC=C1COC(=O)C2=CC3=C(C=C2)CNCC3)C4,BYGKWUJMOKCXSW-UHFFFAOYSA-N
-226A3F2CD4EB0330_677AD009C6BB683D_6039_UN,O(C1=CC=C(C=C1)CC2NC(=O)NC2=O)CCC(N(C)C)=O,FTCXWVNCFMPPIT-UHFFFAOYSA-N
-228173AB52197AC3_1EC3A65875EC44CD_6004_UN,O=[N](=O)C2=C(C=C1CCNC(C1=C2)=O)C4=C3[NH]C=CC3=CC=C4,QGZDVOBADXTLQW-UHFFFAOYSA-N
-22FC48BF129A199F_D5F7158B317D7769_6039_UN,CC2=C(OCC(NC1=C(C(NCC(C)C)=O)C=CC=C1)=O)COC2=O,ZWYLIJGYZFPPBN-UHFFFAOYSA-N
-23CD99E6D189E1F8_BC95ED6DF405C338_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3=CC(=CC=C3)C4CCC4)Cl,SKBRIPADRCRIOJ-UHFFFAOYSA-N
-24925C508DB9B31A_E41AB7A0C793F4F9_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=CC(=CC(=C4)F)[S](=O)(=O)Cl,RDXIOVDEQYLGAC-UHFFFAOYSA-N
-24DE3E5C7912CDCD_1B36D2F35438E727_6028_UN,N([C@@H]1CC[C@H](CC1)OC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,NQOZQYZMZTZUQK-UAPYVXQJSA-N
-24FF16FDB7DA2ECB_05717C6CB3976136_6039_UN,CC2=C(OCC(NC1=C(OC)C=CC(=C1)NC(=O)C)=O)C(=O)OC2,SNJZJUUIWVSUDD-UHFFFAOYSA-N
-25205C128502C5E8_B26D29CA926F1A95_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)ON=C3)=O,IFIQOCNOMUTLPZ-CQSZACIVSA-N
-25A0CFA7ADFAC8D4_5EE5AF476D57BEC2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)NC3=C(CCCC3)C#N,BIOPJYXSZPDZIU-UHFFFAOYSA-N
-25BF8BE383B54557_1D25C8EB0B237747_6041_UN,O=[N](=O)C1=C(C=[N](C=C1)=O)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,RYJPUHCVXPHKLZ-UHFFFAOYSA-N
-2981F08DA8313DD8_DAFC607AA1F2052A_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NC3=CC4=C(C=C3)CC[S]4(=O)=O,RZJRHVYHVLGPCG-UHFFFAOYSA-N
-2A0B2B520BAAA54B_8B2B4190D2D20CB0_6041_DP,O=[N](=O)C1=C(N=CC(=C1)F)NC2=CC3=C(C=C2)CNCCO3,ZRDVJHMHJQCBDA-UHFFFAOYSA-N
-2A49D7B1340AE019_7CDE3D7F0E25B38B_6005_UN,BrC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C)C=C3)[N](=O)=O,VKEHJXLANZIPME-UHFFFAOYSA-N
-2AF97C3C6BCC520E_7A04465508501D8C_6041_UN,NC(=O)NC1=C(C=CC(=C1)NCC2OC(OC2)=O)C(=O)O,ZCZUGLQCTKHLRF-UHFFFAOYSA-N
-2BFD2AEF5E141828_D4D122E7F8F1A7EF_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)C3=CC=CC(=C3)C(C)(C)O,MIQLWNINZGWHKN-ZIAGYGMSSA-N
-2C68E20F2D2217FF_40D50CD0F12E71F4_6038_DP,O(CC1=CC2=C(C=C1)[NH]C=C2)C(C3=CC4=C(C=C3)CNCC4)=O,PPQFBCSXPXPVGX-UHFFFAOYSA-N
-2CA844D6B8D151F3_221D161906CC18CC_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)F)[S](C3=CC=C(C=C3)Br)(=O)=O,SHGUILNOLFTRBZ-UHFFFAOYSA-N
-2D40B6F27DE5055E_4E502088BA27A6CB_6038_UN,COC1=CC(=C(C=C1)OC)NC(=O)CC2CCOC2=O,ZCDFVTBYRQEPAJ-UHFFFAOYSA-N
-2D7024B33ABEB2D0_BFCE985C7395A570_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)(C)C#C,GSHPPFRMSOJHMO-UHFFFAOYSA-N
-2D7ED4BAC10A44CF_333AD4E3F4BA85AF_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC4=C(C=C3)CCCC=C4,PETMAIZTBLQEQQ-UHFFFAOYSA-N
-2D9FAC6F0CF6BA36_FC899AE2A3B1C92B_6038_DP,CCOC1=CC(=C(C=C1)NC(CN2CCNCC2=O)=O)[N](=O)=O,GVXUPHZFKPKVIS-UHFFFAOYSA-N
-2EFFCB99715E27BF_800D499C97B9398A_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2CN(C)NC2=O)N3C(=O)C=CC3=O,VWEOZPQTFUYSPF-UHFFFAOYSA-N
-30E05FD46CFB04C3_417B89BCE812BB9C_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C#CC(N(C)C)=O)=O,SKFIENJHUHHHBS-UHFFFAOYSA-N
-310D0CE65FB73E0C_C89A6004F79CC11A_6038_UN,N(C1CC(N(C1)C2=CC=CC=C2)=O)C(CCC(N(C)C)=O)=O,WJWCKQXBHCALJH-UHFFFAOYSA-N
-3149B906A14E1579_A13FADFFA7F74111_6038_DP,C[N]1C=NN=C1SC2=C(C=CC=C2)NC(C4ON=C(C3CNC3)C4)=O,RDEWLEIFBQWABE-UHFFFAOYSA-N
-31652C11CABF22A5_C47790BDC3FFAB75_6029_DP,CN1CCN(CC1C2=C(C=CC=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,GSHAAGQUKHDPML-UHFFFAOYSA-N
-33A117F74AFFDB55_7BD0CB07816C6DAB_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC5C3=CC=CC4=CC=CC(=C34)CC5,XMWOMDLSEVYYGJ-UHFFFAOYSA-N
-3433B655E62A5FF3_E73518147CCD9B80_6039_DP,N4CCC1=C(C=CC(=C1)COCC3=C2N=CC=CC2=C([N](=O)=O)C=C3)C4,VQEAZCVSHADNLL-UHFFFAOYSA-N
-346BE536C24BA61D_98D3863A2606CC8D_6038_DP,N5C[C@H]4C(COC(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)[C@H]4C5,KVMRQLZHHWFQDI-XYPWUTKMSA-N
-347DED61235E3024_C1F2FEA5F553BD40_6028_UN,C(C1CC1)C2CN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,SGKRNPOZTRNZMI-UHFFFAOYSA-N
-3583AE134C1DCF8D_E9EDC06BF1557154_7005_UN,C[P](=O)(C)C1=CC=C3C(=C1)N=C(C2=CCC(C)CC2)[NH]3,MREVIKJLZLLPQH-UHFFFAOYSA-N
-37099C16321A95B5_2E3336634D649897_6038_DP,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(NCCC)C)=O,OSMPQEIRITZGHK-UHFFFAOYSA-N
-371FD6262B0A3328_0D422F0F88E25F0A_6041_UN,CC(=O)C1=C(C(=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)C,AWQIBCYVBCXELS-INIZCTEOSA-N
-377656C6E7677587_A8FBEEBA8E457E5E_6041_UN,NC(=O)NC1=C(C=C(C=C1)NCC2OC(OC2)=O)C(=O)O,YZCOJRNVKRGYRA-UHFFFAOYSA-N
-38B3A9BB25AACD90_384AB4F6A08E9C6B_7019_UN,C(C(=O)NC1=C(C=CC=C1)SC2=CC=CC=C2)=CC3=CC=CC(=C3O)O,MKTVKJIYKHMQCC-UHFFFAOYSA-N
-39370F774DEDE9C0_554208C92B607301_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=C(OC)C=CC=C2)C)=O,ABULFMCWHLTCLR-UMJHXOGRSA-N
-3979A6DE85C62CE4_DB68F656934FF783_6005_UN,BrC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)F)[N](=O)=O,JNHCIAVPEMCLMO-UHFFFAOYSA-N
-3A3A841B3874146D_7C0A833C01BA8E49_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC4=C(C=C3)C=CC=N4,ROSUZCNYHULMNN-UHFFFAOYSA-N
-3B7B177262D91BF3_02677A86A9C9147C_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(C(CC)=O)CC3)=O,CYFFALGJOXZTHV-UHFFFAOYSA-N
-3C642E9393B5ECAA_404C4FD052841AF5_6038_UN,CC1=C(N=CC=N1)CNC(C2=CC=CC3=C2OC(C)C3)=O,ITTBTYRQZANUSY-UHFFFAOYSA-N
-3D75BF7503BE9E6E_ADE3800FE7467CB7_2875_UN,Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)C4(O)CNC4,AZJHVBAAFWQMIK-UHFFFAOYSA-N
-3D998386FCA1EBA1_968F4062DDEF75C7_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(OC)C=CC(=C2)F)=O,KLDCRMMLQJAKBY-JTQLQIEISA-N
-3E3D679C47F1B480_FC62990B07C78DB3_6038_UN,O(C1=CC(=CC=C1)N2C(=O)C=CC2=O)C([C]3(C)C[C](=[CH2])C3)=O,PVYKVEKKXJHQBG-UHFFFAOYSA-N
-3F7E55AC4EB5BE8C_5421D72667F52C98_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C(C)SC3=NC=CC=N3)=O,WWJWXIRLMOBQPO-WUJWULDRSA-N
-3F8ECC8BA6B6A4DF_882596CC140CA647_6041_UN,CC2=C1C(CCC1=CC(=C2)NC4=CC3=C(C=C[N]3CCOC)C=C4)=O,JKTSXLHERNBPBR-UHFFFAOYSA-N
-4222EC0991057B80_1A3FD48655A1320B_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=C(C=C(N(C)C)C=C2)C)=O,BMLXQDSNHMIIIV-UHFFFAOYSA-N
-425121C7A825F03C_C4FD1094C787AB77_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(CC3=N[N](CC)C=C3)=O,BYAFIVXWOHJSHG-HNNXBMFYSA-N
-4306B18F979B8434_47D668B9BA533432_6038_UN,N(CC1=CC=C(C=C1)F)C(C=CC2=CC=CC(=C2)OC)=O,IQRINVXXKCFRDL-UHFFFAOYSA-N
-434A0901922938B2_B9C2560BC913540E_6038_UN,CCOC1=C(C=C(C=C1)OC)NC(=O)C2CC(=O)NC(=O)C2,LNWGTYNTHSKZBI-UHFFFAOYSA-N
-438CE4A7AEEA0CE6_3CDD39F4FCF8BBB9_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CC(=NN=C3)C)=O,RDQKBMZZIGLONM-OAHLLOKOSA-N
-441563F04379E44F_A5BC7D8828F44E66_6029_UN,CC1CN(CCN1CC(C)(C)O)[S](C3=C(CCl)C=C2OCOC2=C3)(=O)=O,HXPPDYARVBXPRH-UHFFFAOYSA-N
-44F2AFFF3065D895_FCCEA9A86F493E7D_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(COC)CC=CC2)=O)C=CC=C3,RQQVINLCPYMVMU-UKRRQHHQSA-N
-47431C6D24542D6C_C0D7BA126C2A67DE_6035_UN,CC1=CC(=CC=C1)CC2(CCNCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,ARPVIWCYWAHIQI-UHFFFAOYSA-N
-4771E7E7F98E9E04_9D23E172D8ABD08A_6041_UN,C1(=CC2=C(C=C1)CCC2=O)NC4=CC3=C(C=C[N]3CCOC)C=C4,ZEWJFDWNSNVGMI-UHFFFAOYSA-N
-47D71F9F809DD069_C1217F334F1AD8A0_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C=CC2=CC(=C(OC)C=C2)OC)=O)=O,GQJYDDGDDOBDAY-NSHDSACASA-N
-47EA7351063EE314_4487EB4CBB189447_6039_UN,CC2=C(OCC(C1=CC=C(CNC(C)=O)S1)=O)COC2=O,ZMHMPDSBZPJVCB-UHFFFAOYSA-N
-4AE64C07F115F816_AC4C4DC39F4312F9_6029_UN,N(CC1CC(C1)C2=CC=C(C=C2)Cl)[S](C3=C(OC)C=CC=C3)(=O)=O,KBFFXQQSNHRKQY-UHFFFAOYSA-N
-4BAF43C991CA09EE_03934E7EC707AD87_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3=C[N]2C(=NN=C2C=C3)C4CC4,CVXJEDQAHWLQDI-UHFFFAOYSA-N
-4E393B062B5C67B4_DDF0B98CC509773C_6041_UN,FC2=C1C=C[NH]C1=CC=C2NC3=C(C)C=CC=C3[N](=O)=O,AUDLPAJJDOVAGI-UHFFFAOYSA-N
-504449BABC8FAE1A_898A83C5D860E93A_6038_DP,OC1=NC=C(C=C1)CNC(C3OC2=C(C)C=CC=C2C3)=O,VPQWVCLCCSEVFH-UHFFFAOYSA-N
-506E43ABB768275D_10BBAAD44B3DCED2_6038_UN,CCC1=CC2=C(C=C1)OCC[C@H]2NC(C3=CN=C(C)C=N3)=O,FNZIRTUUNJAMGE-CQSZACIVSA-N
-5106ECE93C669D00_4BFADFD861CC1D40_6041_UN,CCC2=C1[NH]C=CC1=CC(=C2)NC3=CC4=C(C=C3)C=C[S]4(=O)=O,LUCWUGWZMNTMBF-UHFFFAOYSA-N
-52678FF835D3CED3_093F384AF101CC54_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=CC=CC(=C3)C(CC)=O,CXLXSKDMCCMKQT-UHFFFAOYSA-N
-53ADEA3D1FAB0A47_90B2114BBB03C354_6041_UN,CC1=CC2=C(C=C1)N=CC=C2NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,CNVLZDYWRJWJCP-UHFFFAOYSA-N
-54079CD0FDC055EA_9C0F7163148F10E1_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=CC(=C3)C)[N]4C)(=O)=O,DNIKLJYTGFQUKD-UHFFFAOYSA-N
-5409D51B3E892538_B33CDEDD1949483F_7017_DP,N3([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)C4(CCNCC34)C5=NC=CC=C5,BPYQTKVFNWCZAL-UHFFFAOYSA-N
-560E279F308D5842_9E69717F7BA3F000_6041_UN,F[S](=O)(=O)C1=NC=CC(=C1)NCC3=CN=C(N2CCCN(C)CC2)C=C3,KMYUPIFLPYIYRK-UHFFFAOYSA-N
-5627C9BE5AB8737E_EDE5B98A7C8A47AE_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=CC(=C3)F)(=O)=O,LMFYFGJVIREVAT-UHFFFAOYSA-N
-56BDF7C2F99BF47E_5149DCAA7DEC089E_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4ON=C(CC)C4)=O,QTTOVCCQRZJJDN-UHFFFAOYSA-N
-579EBBBED44A7E99_25E2D83A99F73ADC_6029_UN,OC1(CN(C1)[S](C3=CN=C(C2=NC=CC(=N2)O)C=C3)(=O)=O)C4=CC=C(C=C4)Cl,JADNSJLFHNQMND-UHFFFAOYSA-N
-5811870229E479A2_96AF51B9EB38DF1A_6038_UN,CC2=CC[C@H](NC(C=CC1=C(OC)C=CC=C1)=O)CC2,AJOVHTZCZSRHMC-HNNXBMFYSA-N
-584204395F0C2A73_121B54BABF20DA18_6041_UN,C1(=CC2=C(C=C1)[S](CC2)(=O)=O)NC4=CC3=C(C=C[N]3CC)C=C4,JMFZSDMAPUGDFH-UHFFFAOYSA-N
-5AA6D5BC4E6492B4_5E4930F26BBD00DB_6038_UN,NC(=O)C1=C[NH]C2=C1C=CC(=C2)NC(C3(C)COC(=O)OC3)=O,DJHBOVJYCQBNJN-UHFFFAOYSA-N
-5C77E16AB729E4C6_0B1E0D8BE9FBFDCC_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)[C@@H]3C[C@]34CCCC5=C4C=CC=C5,AMZBFOBQCNJBFK-UWJYYQICSA-N
-5CBDBF80143C5352_8E282FDBA98AADC3_6038_DP,CN(C)C1=C(C=C(C=C1)NC(C2C[Si](CN2)(C)C)=O)F,OILSUPWOXUDWGJ-UHFFFAOYSA-N
-5D089A36FE3B0497_190DD443407BB343_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C=CC(=C3)C)[N]4C=NN=C4)=O,AQSJEOHUUUUJDU-SFHVURJKSA-N
-606FCAD9F4D12673_79DC4350DC7D4429_6039_DP,O(C1=CC2=C(C=C1)[S](NC2)(=O)=O)CC4=CC3=C(C=C[NH]3)C=C4,IWGZIPNHVDTWMX-UHFFFAOYSA-N
-60ECFF46960D5081_C1365B31E6C17C7A_6038_UN,CCC1=CC2=C(C=C1)OCC[C@@H]2NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,KHXGSQDMXHBDCO-BUSXIPJBSA-N
-611CF4F7288B5D28_4DE44436F958E1A9_6005_UN,C1(=CC2=C(C=C1)CCC2)C4=CC3=C(C=C(OCCOC)C=C3)C=C4,BZGRYDJBURCWLY-UHFFFAOYSA-N
-618FFC83C5B5EB85_4531C99F3AA6B708_6039_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)CC(NNC(C(C)(C)C)=O)=O,HZNYNKBYPPSJLP-UHFFFAOYSA-N
-63B6B83E45F8DEB2_70361287DFBD6F02_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCCC2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,FWLCPUDOHSMASO-UHFFFAOYSA-N
-66F8A75AA48A4492_290409C65089910A_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC([C](C)=[C]3C[CH2]C3)=O,DARMQJAIYQVHAC-UHFFFAOYSA-N
-67ACA60787A76358_4DFCDDF8D02F8536_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N3CC(OC)(C3)C4=NC=C[N]4C,QYANBYHPCXDDNU-UHFFFAOYSA-N
-67BB8458DC40700A_6E87328911BD1EF0_6038_UN,CCOC(=O)C(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CC2=CSC=C2,STPKMYWYWXQTHN-UHFFFAOYSA-N
-689007EF47B2F08F_11B9767F49B3D4C8_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CC3=C(N=C2)[NH]C=C3C4CCC4)(=O)=O,HHHJDAWSLCGTFT-UHFFFAOYSA-N
-68D6BB1E04D9E2C6_4F14B75B052790DC_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C4CCN(C(CC3=C([N](N=C3C)C)C)=O)CC4)=O,YPLAJAWJRVELFW-NRFANRHFSA-N
-69A8393F2F0CD363_2BDAD3E1552D6FA6_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC4=C(C=C3)CCCC4,QSMJPZMCCPLILA-UHFFFAOYSA-N
-6A49AD0B1B9472F7_F983EF1070FC2B1E_6041_DP,O=[N](=O)C1=C[NH]C(=N1)NC3=CC2=C(OCCNC2)C=C3,LRFVPGANXDPGGY-UHFFFAOYSA-N
-6A6995F282BC4A79_3F931F3D58768E3D_6038_UN,CC1=[N](C=C(C=C1)OC(C3CCN(C2=NN=C(N)[NH]2)CC3)=O)=O,FAFCRWLYKPCQLG-UHFFFAOYSA-N
-6B9255C94E045D17_DCF2B878220A7E40_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3CN(C)CCC3)Cl,DOLHNJNSDPQQBB-UHFFFAOYSA-N
-6BBD95D676B3D25D_CCD0DD0A08D9F9CB_6038_DP,CCC1=CC(=CC(=C1)NC(C=CC2CCNCC2)=O)CC,OMEQSFIPMGFFNG-UHFFFAOYSA-N
-6C48F990BEA5E28D_87AB32D20ADEE2DE_6041_UN,C1(=CC2=C(C=C1)C(=O)CC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,WEPOZBSKBNZTBK-KRWDZBQOSA-N
-6C540D82749C9530_937485297E1A8E10_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C[N](C(C)C)C=N3)=O,FCOZNMAUQGRYJS-AWEZNQCLSA-N
-6CA6385E62439A5A_E6920B01BF7C8419_6041_UN,CCC1=C(C=C(C(=C1)F)[N](=O)=O)NCC2=CC=NC(=N2)N3CCN(C)CC3,PLBNDWYIVODWSI-UHFFFAOYSA-N
-6CDD03797B2D4805_B89B49BC3923C971_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=CC=C(P(Cl)Cl)C=C3)(=O)=O,CUYCTTZQNXWNFJ-IRXDYDNUSA-N
-6E515C515B7BD3F8_E67FB342196CD7ED_6041_UN,F[S](=O)(=O)C1=NC(=CC=C1)NCC3=CN=C(N2CCCN(C)CC2)C=C3,ZPAPIQAPAJGCRA-UHFFFAOYSA-N
-70785A6757077C22_A91580D924CB0C6B_6038_DP,N4CCC1=C(C=CC=C1COC(=O)C2=CC3=C(C=C2)CCNCC3)C4,UAQVHVVVAGQMCT-UHFFFAOYSA-N
-70FA8A4C4DA36835_2E721E8424B62AC9_6041_UN,C1(=CC2=C(C=C1)CCC[S]2(=O)=O)NC4=CC3=C(C=CC(=N3)OC)C=C4,ZVZGIBROZSPXJG-UHFFFAOYSA-N
-71A733E4C5C8AB53_53D4CFF11C8319CD_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC=C([S](NC3=CC=C(OC)C=C3)(=O)=O)C=C4)=O,SNZLKZWTJGZWQX-UHFFFAOYSA-N
-7328D089271DB278_1AA56D366E1ED5A1_6041_UN,FC2=C1C=C[NH]C1=CC=C2NC4=CC3=C(C=C(OC)C=C3)C=C4,YUXMJFNFBMKOFL-UHFFFAOYSA-N
-73BBF0C2DA512535_BF9EDF3C2BB4F4F7_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C(C)C3=NC=CC=N3)=O,IFUCFXNKKBVNTF-WUJWULDRSA-N
-747CD1DC75EBC7A5_E9B1DCC590498B51_6038_DP,N1CC[C@H]1COC(=O)C4=C2N=CC=CC2=C3C=CC=CC3=C4,HVNRYGJHQHSTMU-ZDUSSCGKSA-N
-750B5517D740FD7F_C34729CB4A050887_6038_UN,CCC(NC(=O)C1COC(=O)O1)C2=CC=C(C=C2)OC,YLJCUUMBSBIABG-UHFFFAOYSA-N
-765ECD20B4525F71_3280FE74A500572C_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C3=C(C=CC(=N3)OC)F)(=O)=O,YPBKABZSCWXDIS-UHFFFAOYSA-N
-7785DE7256A9AA08_E6DD67ED978E80AA_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC(CCC)C#C,FCNFFDMMHUAQPG-UHFFFAOYSA-N
-791AD3CA0553E7C1_4CBE38EB1223655B_6041_UN,C2(=C1[NH]C=CC1=CC=C2)NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,XOEPRBSCFZOMHZ-UHFFFAOYSA-N
-7999141DD1901ABE_0B0632381E19F74F_6038_UN,O([C@@H]1COC(=O)C1)C(C2=CC=C(CC(C)(C)C)C=C2)=O,AAYCWPWPGXUUMW-ZDUSSCGKSA-N
-79DCDE573BCF3561_F4C90D5870D95CF4_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(N(C)C)=O)C=C2)=O,WFGKMENVKGIAAE-LLVKDONJSA-N
-79FEE3655DB60E2C_AEACC8C88D2ACDE9_6039_DP,OB(O)C1=CC4=C(C=C1)C=C(OCC2=CC=CC3=C2CCNC3)C=C4,PTEZSSHMACTOFS-UHFFFAOYSA-N
-7ADA664587855D2C_42BD39D94ABD2D1D_6039_DP,N4CCC1=C(C=CC=C1OCC3=C2N=CC=CC2=C([N](=O)=O)C=C3)C4,NONBKKMROKYIFM-UHFFFAOYSA-N
-7BBB869C4FAEE682_0199567005FAB03F_6029_UN,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,AQOHGBILWJAHPL-UHFFFAOYSA-N
-7C62AB69220E384A_569A9C83BA5186D4_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCCN4CCC(C)(C)C4,QESICGRUKLEADF-UHFFFAOYSA-N
-7D39752DBF943C1D_24EE0D99C9430159_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C(C2=C(OC)C=CC=C2)C)=O)C=CC=C3,YQSWVZVXUUNJNO-SNVMCYLTSA-N
-7D43C070EDC11D47_32D27454FECD31FE_6041_UN,FC1=CC2=C(C=C1)C(=NC=C2)NC3=CC4=C(C=C3)[S](CC4)(=O)=O,OKGCVBNLSVKWOE-UHFFFAOYSA-N
-7D55C4EB6129E67B_5A7E2F749AA0AD87_6005_UN,ClC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)F)[N](=O)=O,FZEZQQBTHBSQPE-UHFFFAOYSA-N
-7DD3E377D3E686A8_085B0ECB49B4CCE8_6041_UN,C[N]1C=CC2=C1C=C(C=C2)NCC3=CC4=C(C=C3)[S](CC4)(=O)=O,SGLJVRFXXSHCGE-UHFFFAOYSA-N
-7EAB3D211186792F_7FAF9E5A6C376EA3_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C3=NC=C(CC2=CC=CC=C2)[NH]3)(=O)=O,FALAZINGOHCCMA-UHFFFAOYSA-N
-8002FE322C677E54_0D65DFF94DDA56AB_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3C4=C(C(C)C)C=CC=C4)C5=CN=CC=C5)(=O)=O,YJQRCWUAMYJXQE-UHFFFAOYSA-N
-805ADF50D5E393D9_74D64D7A48E9D9C8_6004_UN,NC1=C(C=C(C=C1C3=C2[NH]C=CC2=CC=C3)Cl)[N](=O)=O,BNDZYSWVEPTGFO-UHFFFAOYSA-N
-8129523B77DAF05F_8655E4E1325D5E25_6029_UN,CC1=C(C=CC=C1Cl)CN[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,BMVNUIWWEQWPLN-UHFFFAOYSA-N
-8225AC32DAA1C1C7_B0F965991746C5A0_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NC4CC3=C(C=C(OC)C=C3)OC4,LHOULAYWIRNIIH-UHFFFAOYSA-N
-83DC6A72C1D5A408_F59D46D9E9926A79_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCCN2CCN=C2CC)N3C(=O)C=CC3=O,BWNWTIRLIBBERN-UHFFFAOYSA-N
-84F6F1E05E1D6682_0622C1A44C7D3BF6_7022_UN,COC1=CC(=CC(=C1)N3N(C)C2=NC(=NCC2=C3)Cl)[N](=O)=O,YTIIPIGUMGWUPN-UHFFFAOYSA-N
-8540E61A6DF55ECD_FAA2F5D3B6791A68_6038_UN,O([C@@H]1COC(=O)C1)C(C(OC2=CC=C(OC)C=C2)C)=O,LCNBBFPGIIQLPX-ACGXKRRESA-N
-854F9705BAEB0429_D549FE64278BE127_6031_DP,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4CCN4,HOIJKAJEMSOZDZ-UHFFFAOYSA-N
-88099BA89EB99812_08583B7B2E764F9E_6005_UN,CC1=C(C=C(C=C1N)Br)C3=CC2=C(C=C(OCCOC)C=C2)C=C3,FRZMZYQAAPPMEU-UHFFFAOYSA-N
-8E8786A64D021EE6_7D514DE4241694FA_6038_UN,CC1(ON=C(C1)CNC(C=C[P](OCC)(=O)CC)=O)C,BVTBMOFJDYVPRW-UHFFFAOYSA-N
-8EEF053EA752C403_4F8C819359C55FDA_6029_UN,FC1=CC(=CN=C1)N2CCCN(CC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,MSLWEVAKMREYPY-UHFFFAOYSA-N
-8FE84A0137D51AA3_BD76DB0FD0624092_6041_UN,C1(=CC2=C(C=C1)C=CN=C2C#N)NC3=CC=CC4=C3C=C(OC)C=C4,ODPSENTZMQKHCQ-UHFFFAOYSA-N
-90549FC595AFB914_EBCD6C5D183E33E5_6041_UN,C1(=CC2=C(C=C1)CCC[S]2(=O)=O)NC3=C[N](C)C4=C3C=CC=C4,CPIUNQVYVHMZTF-UHFFFAOYSA-N
-90BEE0B3E2987867_3F1D031EA1C00804_6006_UN,NC1=CC2=C(C=C1)N=CC=C2C4=CC3=C(C=C(OC)C=C3)C=C4,DQSQCRKXUIJUIW-UHFFFAOYSA-N
-918288F9ECC2DBAE_42348D94935F1E34_6041_UN,FC1=CC2=C(C=C1)C=NC(=C2)NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,LEAAKVHYAWKBGQ-UHFFFAOYSA-N
-9226C06ADA6EA5C2_76880C911AD81D90_6041_UN,O=[N](=O)C1=CN=C(N=C1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,BPHFFRHOUAJDEH-UHFFFAOYSA-N
-9265691A7E01F000_C6A1C2595BEFBF13_6038_UN,N(C1=C(C=CC(=C1)N2CCOC2=O)F)C(C=C3SCC(N3C)=O)=O,ZFHXWONSUUUBHU-UHFFFAOYSA-N
-926C4BE8F0263693_A332D41A6F08BA38_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CN=C(C)S3)=O,JNCWEJLXLZAVGT-CYBMUJFWSA-N
-92A24CC7E7F7A2CD_AC85B427C917F858_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(CC3=CN=C(C)C=N3)=O,PVDRSUVXNCVGMW-HNNXBMFYSA-N
-93A30B6AB13756D9_CE49E9AE386ABB61_6041_DP,O=[N](=O)C1=CC(=C(C=C1)S)NC3=CC2=C(CCNC2)N=C3,WPDFAWKHNMZIFA-UHFFFAOYSA-N
-9526311E1A6174B6_CC7B12D84268F039_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3CC4=C(C3)C=CC=N4,RMUMQSRFBRYLID-UHFFFAOYSA-N
-9560BEBE93746913_2868F2EC04691A82_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(CC(C)=O)CC3)=O,ODGPRMOHNDDEPY-UHFFFAOYSA-N
-97463CFD7DE498AE_382C5FEA57BFD44A_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=C(C=CC(=C2)Cl)Cl)(=O)=O,NJXBZWOIFWCJMO-UHFFFAOYSA-N
-984483B06D1ABF63_F2EAF487D1B86E26_6041_UN,C1(=CC2=C(C=C1)CCC[S]2(=O)=O)NC4=CC3=C(C=C[N]3C)C=C4,XYJKOQSJISOADA-UHFFFAOYSA-N
-9ADD6A4EC389E22E_9D7495908CECA10A_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(C(C)(C)C)C=C3)O4)(=O)=O,CYSZALWTQODNBW-UHFFFAOYSA-N
-9AE5228DCC00F290_B63A7DCB624344DF_6041_UN,C1(=CC2=C(C=C1)C=CN=C2C#N)NC4=CC3=C(C=C(OC)C=C3)C=C4,GRSKBQNIFCMRKY-UHFFFAOYSA-N
-9B2AE7CB5E024266_7E1F8158289232EF_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C=CC(=C2)OC)C)=O)C=CC=C3,KCXLPJCZCJHNRC-CXAGYDPISA-N
-9BAEA96AD7FC43CA_EA65CD38D34457F8_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2)NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,RNUNTICHYXSHPB-UHFFFAOYSA-N
-9CD51B0BE817D491_7F5E482B84F326A2_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=C(C=C3)I)(=O)=O,FCDNFDOUBHVCGR-UHFFFAOYSA-N
-9CEFF58D5DB3B926_77EA56410819302B_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=C(O)C=C3)O,ZLOLOFMWQYFNTD-UHFFFAOYSA-N
-9D216014C28250E4_F5D96B070F5F9280_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(C(C)=O)CC3)=O,WAPWZZWUNMXKTL-UHFFFAOYSA-N
-9D2834D8C65B7795_E057F15E8F877C2A_6029_UN,N(C1=C(C=CC2=C1OCO2)Cl)[S](C3=CC4=C(C(=C3)F)CN(CC)CC4)(=O)=O,PJABDONMVUFPFU-UHFFFAOYSA-N
-9E8EF0504292CE46_DD17172F72417790_6038_UN,O([C@@H]1COC(=O)C1)C(C(CC2=CC=C(OC)C=C2)C)=O,URXHIZSACNCPPS-HQVZTVAUSA-N
-9F390351A01F026A_3526ED60753A0756_6029_UN,OC1(CN(C1)[S](C3=CN=C(C2=NC=CC(=N2)O)C=C3)(=O)=O)C4=CC=C(C=C4)F,XOVATLBNNLHBAV-UHFFFAOYSA-N
-A0FA0585EF88D4B2_7244CF384F299FC5_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NC4=C3OCCC3=CC=C4,RXEFQTHPCRDVJH-UHFFFAOYSA-N
-A10D06F4B370339F_39714F86C5055943_6029_UN,F[C@H]1CN(CC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,PJOULQFCPHMSSN-CQSZACIVSA-N
-A4ABA6DA3AFCAEB1_248F303141A6A761_6039_DP,CC1=C(C=CC(=C1)F)COCCC2(CCNCC2)C#N,DLZZKCXEPIGGDP-UHFFFAOYSA-N
-A4ACFA3838779A83_65DB4DFC39E38974_6041_UN,C2(=C1[NH]C=CC1=CC=C2)NC3=C(OC)C=CC=C3[N](=O)=O,CWTPJHXPHYQKMY-UHFFFAOYSA-N
-A59A9089EC99F626_82A95FF3C7E20154_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCC)C)=O,LXLICQNJTMEBBU-UHFFFAOYSA-N
-A5A285B9BCB5434B_FDDF55BCC4218D40_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(C2=CC=C(OC)C=C2)=O)=O,XCELUHKNELLRAP-JTQLQIEISA-N
-A612CFF05B4361AA_35DA327E29E24D98_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(CC3=N[N](C)C=C3)=O,OFONULYHTVHYKT-AWEZNQCLSA-N
-A798FB0705934D1A_66FF8BA84AACC29B_6006_UN,NC1=CC(=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N,ZCMGVKSFUISMQA-UHFFFAOYSA-N
-A7B8FBF700523D3D_2108945366B69775_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)Br)[S](C3=C(C=CC=C3)Br)(=O)=O,NMWZCAQOOZWGJF-UHFFFAOYSA-N
-A938DF1E7E5B116B_C0909BD0193776C0_7019_UN,C(CC1NC(=O)NC1=O)=CC2=CC(=CC(=C2O)OC)Cl,FGDSANHMLSCUSA-UHFFFAOYSA-N
-AAA2E3EAE5948568_FEA05D22E9480450_6038_DP,CCC1=CC(=CC(=C1)NC(CC2CCNCC2)=O)CC,PZSXSUAOFUCOFD-UHFFFAOYSA-N
-AAC143BC6AEF04EF_24C50DCD3B91DB46_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)Br)[S](C3=CC=C(C=C3)I)(=O)=O,QGCKMHNWKDGXMU-UHFFFAOYSA-N
-ACD17BF1C7EC35F5_0D264603D13D0650_6041_UN,C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[C@@H]5C4=C(C(=C(C)C=C4)C)OCC5,DDNNLJTURBLNIH-IBGZPJMESA-N
-AD1F981825444AD8_BCB6D1D33827B48F_6041_UN,FC1=CC2=C(C=C1)C=NC(=C2)NC3=CC4=C(C=C3)[S](CC4)(=O)=O,IAVKJHJHGSFTSD-UHFFFAOYSA-N
-AE6FE3C4D2BBFC6D_769E30B853AA6BC8_6006_UN,O=[N](=O)C2=C1CCCNC1=C(C=C2)C4=C3[NH]C=CC3=CC=C4,UERBBXCBODWUDS-UHFFFAOYSA-N
-AE84CB0D2B3524AD_1939E660C5CC3B4B_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2NCC2=CC)=O)C=CC=C3,LYSVELPJFVYYMB-BAOLWLNASA-N
-AEF93672164FA285_BF266157F33EC176_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C2=C(OC)C=CC=C2)C)=O,MMFIQBMWIGYTOB-DTIOYNMSSA-N
-AF4D54CED58E8A9E_1196DD3624CB7527_6005_UN,ClC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)Cl)[N](=O)=O,DSGANYCWBQAAAB-UHFFFAOYSA-N
-AFC06556BF99A2FC_C557CD163D93A090_6041_UN,FC2=C1[NH]C=CC1=CC=C2NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,WWFWMLUIFPSJSM-UHFFFAOYSA-N
-B1BE1081618BF589_EAD0072410B638FB_6038_DP,N4C[C@H]3C(COC(=O)C1=CC2=C(C=C1)C=CC=N2)[C@H]3C4,BQTUXRHOPMRQHP-PBWFPOADSA-N
-B21F383F4D9A4B2D_7799D18F7B0C393C_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)[N](=O)=O)C(=O)C2=NNC(=O)CC2,RQOLLQYDRAVTMO-UHFFFAOYSA-N
-B2B46C2A2B5F54F1_08A8AC84789A8E4A_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C=C4SCC(N4C)=O)=O,GZWHIWZWWWGXOB-UHFFFAOYSA-N
-B2EF1ACB6C747698_7C457E4C8F9A64E8_6041_UN,C2(=C1[NH]C=CC1=CC=C2)NC3=CC4=C(C=C3)C=C[S]4(=O)=O,OCKRIGAOPOCZDH-UHFFFAOYSA-N
-B3065293533A0B50_01AEEBE6967BD771_6041_UN,OB1OCC2=C1C=C(C=C2)NC3=CC4=C(C=C3)N=C(C#N)C=C4,DNMBJBIIHOOSJG-UHFFFAOYSA-N
-B3436907058703B6_61DFCCD6A81A12DB_6026_UN,[S](=O)(=O)(C1=CC=NC=C1)NC2CCC(C)(CC2)C3=CC=CC=C3,ICSDAFMLDPXJSN-UHFFFAOYSA-N
-B54FE8D41ED307C2_18E0EEE6468B2B2D_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)OC)(=O)=O,KAKKVRVJVHVQNB-SHTZXODSSA-N
-B6A46E2399AD636F_1D7A0F88B7BAEDFD_6006_UN,CC1=CC2=C(C=C1)C(=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4,ZYLLRABRTHEYBA-UHFFFAOYSA-N
-B6E2CE0D5A556E6E_F96F46133A1F7619_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC3=CC2=C(CCN(C)C2)C=C3,PKUSJPGYVCZOFH-UHFFFAOYSA-N
-B870D2CBCE9BB750_740660AA45AD23CC_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=CC(=CC(=C3)C#N)[S](C)(=O)=O,WUCLTPFUZNYHIV-UHFFFAOYSA-N
-B8820F6CF2D93DFF_D3BBE843A1C28F8E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CSC2=CC=C(OC)C=C2)=O,NZYQXMYAONTGJM-NSHDSACASA-N
-BAA12AE2C2DC91DA_18A90DBF05DA1E0F_6041_UN,C2(=C1C=CN=C(C1=CC=C2)C#N)NC4=CC3=C(C=C(OC)C=C3)C=C4,DTKZEYOEJNNGAU-UHFFFAOYSA-N
-BAEFBB35FCF23E0B_3898E7DF8AD8C8BC_6041_DP,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NCC4=CC3=C(NCCO3)C=C4,NYQIBOFKSQDYST-UHFFFAOYSA-N
-BBF63D1AB0F326A5_082995B22C5B2174_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=CC=C(C=C3)C4=NC(=N[NH]4)C5CC5,GXPZJDBKHPVGQX-UHFFFAOYSA-N
-BBFBDE09B9224E35_9D7B0A9EE7C09ECD_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,VINVGWGYSLDABZ-UHFFFAOYSA-N
-BC3CAA497F5BF70D_DD61CC621027F4B9_6041_UN,NC(=O)NC1=C(C=C(C=C1)N[C@@H]2C(OCC2)=O)C(=O)O,JRLUURFFUKJARM-VIFPVBQESA-N
-BC51B3966ACDFF07_1294BA21645F2A4E_7022_UN,CC1=C(C(=CC=C1)NC2CCN(C(CCC)=O)CC2)C,SSHIVCPUIRBFEL-UHFFFAOYSA-N
-BC6C43A9F6DE6AED_FC8528F51C147112_6041_UN,CCC2=C1[NH]C=CC1=CC(=C2)NC3=CC4=C(C=C3)[S](CC4)(=O)=O,BZOAXZJRBMUWDR-UHFFFAOYSA-N
-BCE54240400BC3ED_9D49EB56E6AEA0B7_6041_UN,C1(=CC2=C(C=C1)CC[S]2(=O)=O)NC4=CC3=C(C=C[N]3CC)C=C4,QCQAYWLOXSYODP-UHFFFAOYSA-N
-C01813209D5C78A1_1E6F8A714A8AF735_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(C2=CC=CC(=C2)OC)(C)C)=O,XMNIKSXTOSQUOL-GFCCVEGCSA-N
-C02604DABDB1290B_990D59AE0C635AF5_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC3=CC2=C(CCN2C)C=C3,FYXAKFGPHKZYCY-UHFFFAOYSA-N
-C0656FE76946FF8B_98A9D08355D2126E_6041_UN,C1(=CC2=C(C=C1)C(=O)NNC2=O)NC4=CC3=C([N](CCOC)C=C3)C=C4,PCVZRMVBXQRMGY-UHFFFAOYSA-N
-C088C5183F1FF82B_408F6DCFD2B2411B_6006_DP,NC1CCN(C1)C2=NC(=NC=N2)C3=CC=C([Si](C)(C)C)C=C3,FAGJJIGQZUPUQD-UHFFFAOYSA-N
-C25E905F252F1502_5CF6CFC79F3D3020_6026_UN,FC2=C1C=CC=CC1=CC=C2[S](=O)(=O)N(C3=C(Cl)C=C(C=C3)Br)C4CCC4,IGUUKZRISNNIBE-UHFFFAOYSA-N
-C3B545193FEE51C6_5B08E7E13170E819_7019_UN,O=[N](=O)C1=N[N](C=C1)CC=CC2=C(C(C)(C)C)[NH]N=C2,FITIPTFITFDVMP-UHFFFAOYSA-N
-C46D143FB5C976CB_DB42A19916C7A608_6038_DP,CCC1=CC(=CC(=C1)NC(CN2CCNCC2)=O)CC,QVYIBSMNAWEFHC-UHFFFAOYSA-N
-C47D895B722A2D96_2CB103848BCFEFBF_6041_UN,C1(=NC=NC(=C1)C#N)NC2=C(C=C(C(=C2)N3CCOCC3)F)[N](=O)=O,WEDUJHYVTLRKEF-UHFFFAOYSA-N
-C614B43508BFBC5B_876D5C33268EC699_6031_UN,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4NCC=CC4,AFYUPXQIAYCWKS-UHFFFAOYSA-N
-CA3E99F32C07B0CD_4C957728862EB49B_6005_UN,C1(=CC(=CC=C1)N2CCCC2)C4=CC3=C(C=C(OCCOC)C=C3)C=C4,VSLCODDCUGALFH-UHFFFAOYSA-N
-CA8E24A013CE5B32_38FE7DDDCD6AEBEB_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCNC4=O,UMTVUKQXTLOFCA-UHFFFAOYSA-N
-CC61B151FFB30FA3_1A9FE097CF930CA3_6031_UN,O(C(=O)C1=C[NH]C2=C1C=CC=N2)C[C@H]4CC3=C(C=CC=C3)CN4,KYEZGSILNDAFSF-CQSZACIVSA-N
-CEE2858B971B17BB_9B312DA894D1B91F_6029_UN,ClC1=CC=C(C=C1)CC2CN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,DULUDPUOYDVLTJ-UHFFFAOYSA-N
-CFAA1463C3A6A60E_6AD6B99CE04872D8_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(N(C(OC)=O)C)C=CC=C2)=O,SPMNPLCQJFHIKF-JTQLQIEISA-N
-D079F15FCF728C46_701F3AA76D3C4441_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CSC(=N3)C4CC4)=O,JQWFBVWIQKWCGR-UHFFFAOYSA-N
-D1C97AAFF520E3CB_EED98DAA2D581FFB_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N](C3=C2C=C(C=C3)C#N)C4CC4,HUXHTAGPDDACTB-UHFFFAOYSA-N
-D488954F2102EB59_160D9BEB5BBEEA30_6038_DP,OC1=NC=C(C=C1)CNC(C2=CC=CC3=C2OC(C)C3)=O,SXLUXUGQDXDQRP-UHFFFAOYSA-N
-D50461D64CA7BB9B_274DDAD414B5B680_6004_UN,NC1=C(C=C(C(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N)N,XUQGVZJNZADPQV-UHFFFAOYSA-N
-D5E9F0F7CEBA22E5_26EE44E7829096E0_6028_UN,CC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,DMCLUPUMWFVBCX-WKILWMFISA-N
-D7EE7D154D60E248_2D9BD49B33DF81B7_6041_UN,CCC2=C1[NH]C=CC1=CC(=C2)NC3=CC4=C(C=C3)CC[S]4(=O)=O,OOQWUCHHVVMTKW-UHFFFAOYSA-N
-D8B7E019F1A1D72A_DC23697623C0FFB7_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(N=C(C=C3)Br)[N](=O)=O,CVKFCKJRMITVQJ-UHFFFAOYSA-N
-D8FC7626E68E1C93_E9B50CEC5E243F88_6041_UN,FC1=N[NH]C(=C1)NC2=C(C=C(C(=C2)N3CCOCC3)F)[N](=O)=O,RWWIGWCXBTYIGF-UHFFFAOYSA-N
-D95B5AA7C293D529_91C2F09790EA3B09_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CC(=NN=C3)C)=O,RDQKBMZZIGLONM-HNNXBMFYSA-N
-DA36E225E03B47B2_6E56D19631DCD40F_6041_UN,C1(=CC2=C(C=C1)CC[S]2(=O)=O)NCC3=CC4=C(C=C3)[N](C(=C4)C)C,GMMPCMCHMOEHFV-UHFFFAOYSA-N
-DAD66BBF416CE75B_0628C7AAE3E84E1D_6041_UN,C1(=CC2=C(C=C1)CCC[S]2(=O)=O)NC4=CC3=C(C=C[N]3CC)C=C4,HONKLKBLYFBRSB-UHFFFAOYSA-N
-DBB803C9965ADD05_8506BD0C1D4593DF_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC3=C(N2CCN(C)CC2)N=CC=C3,QBWJPOFUQQJKCG-UHFFFAOYSA-N
-DCCD6EDD5C871D7A_11410C316E979566_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)Cl)[S](C3=CC=C(C=C3)Cl)(=O)=O,CXYKOOREFIZUNR-UHFFFAOYSA-N
-DD3CD4F0F33EDC30_428E93E423F6947A_6039_UN,O(C1CC[S](=O)CC1)CC2=CC(=C3C(=C2)OCO3)C4=CC=NC=C4,UVLKTAJVPFQJQQ-UHFFFAOYSA-N
-DD6C12471D3B3D3A_06371BE86E150D91_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=CC(=C(C=C3S)C)C,MUBMPLZPVDMXLT-UHFFFAOYSA-N
-DE770C079CA37442_FE5DF9113AD95F21_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3ON=C(CC)C3)=O,FACKPVMZQKVSBZ-GICMACPYSA-N
-DF3B81DBD145D8ED_4622AE6A1F95C7A8_6041_DP,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC4=C(C=C3)CNCCO4,NMSNUIIHFBSJRY-UHFFFAOYSA-N
-E05193650BF8E795_DEE62F6DDB3B11F7_6041_DP,O=[N](=O)C1=C[NH]C(=N1)NC2=CC3=C(C=C2)CNCCO3,HJDXXRBJRFZXJR-UHFFFAOYSA-N
-E26375DB8A97A106_60EC7E77EEB80B70_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,LSPLJYAFYICOPE-UHFFFAOYSA-N
-E33450EC675C627E_89C6A98A84268139_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CC(=NN=C3C)C)=O,XZOQJRUPAULTLB-HNNXBMFYSA-N
-E39E9F73E75FA876_75C299CFBCF83727_6039_DP,N4CC(COCC2=C1N=CC=CC1=C([N](=O)=O)C=C2)C3=C(C=CC=C3)C4,JSAYLLGIEVNNAC-UHFFFAOYSA-N
-E69C30553A9129B0_FD15F8C2EEBC16A1_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC3=CC2=C(CCCN2C)C=C3,XAZGSCUQEZTIID-UHFFFAOYSA-N
-E73AD28F0F3D6566_8DCC5BE799BFB7C7_6041_UN,FC1=CC2=C(C=C1)[NH]C(=C2)N[C@H]4C3=CC=CC(=C3CC4)[N](=O)=O,USJZEVKYKXWVAG-OAHLLOKOSA-N
-E785C6E38C03D8DA_D1AED0A39982A5CB_6029_UN,N(C1=C(CCC1)C#N)[S](C2=CC(=CC=C2)COC3=CC=CC=C3)(=O)=O,VZYBHHNLFPJGGU-UHFFFAOYSA-N
-E787C555546A826E_8264E8162115C7E2_6039_DP,[NH]1C=CC2=C1C(=CC=C2)OCC4=C3N=CC=CC3=C([N](=O)=O)C=C4,CFRWZERSSCVVQZ-UHFFFAOYSA-N
-E847C296DAB24BAE_BD0A3A092E72571B_6031_UN,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4NCCC=C4,OWACKEAXEIIVRS-UHFFFAOYSA-N
-E9491DAF9A0FB76F_716B554539407427_6038_UN,CN2C[C@H](NC(CCCC1=CC=C(CCC)C=C1)=O)CC2=O,GHKOFLLHJWAPBS-MRXNPFEDSA-N
-E991A54083EDBCD0_1411144D8BF3329E_6038_UN,O(C1=CC=C(C=C1)CC#N)C(C2=CN=[S](C)(C=C2)=O)=O,QOHDZXQQZAIZAW-UHFFFAOYSA-N
-EB66B0A33592F929_56DCCDADD9C929AF_6041_DP,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3CCNC4=C3C=CC=N4,LXZLMTHYMXDWOM-UHFFFAOYSA-N
-ED5CD34FD1AF0233_805CB374EB65EEAC_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N3CC(OC)(C3)C4=CN=N[N]4C,JHXPZBYGJFUOOQ-UHFFFAOYSA-N
-ED62929ED3A11469_79582DF8E84CBAEA_6041_UN,C1(=CC2=C(C=C1)[S](CC2)(=O)=O)NC4=CC3=C(C=C[N]3CCC)C=C4,NWUMQAGMAJFBNK-UHFFFAOYSA-N
-EE71C08334A22A3A_EE073E992CD756D5_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)N=NC=C3)=O,MLKMELUEFVQYEK-HNNXBMFYSA-N
-F2351FAF93DE2F03_3A65045A9C78DF97_6038_UN,O([C@@H]1COC(=O)C1)C(=O)C2=CC=C(S2)C4=NC3=C(C=CC=C3)S4,VYMUEGNTYISUJT-VIFPVBQESA-N
-F372E9CC4592538C_B079157E675F5E09_6003_UN,O(C2=C(N=C1C=CC=CC1=C2)C3CC3)C4=CC=C(C(C)=O)C(=C4)C,YPPKVBUPVBZGFF-UHFFFAOYSA-N
-F3C13B88A5C17764_AC4F75FA0A3A237E_6038_UN,N(C1=C2C(=CC=C1)N=[Se]=N2)C(C3(C(N(C)C)=O)CC3)=O,XYLBIMJKNAVBKZ-UHFFFAOYSA-N
-F61DDE1DF554BE80_1617D22ACE78A9B3_6035_UN,CC2=C(OC1=NC=C(C=CC(OC)=O)C=C1)COC2=O,HAQRIDIYJYPMLO-UHFFFAOYSA-N
-F65B0033A0BA80E0_F2106ACE47A25945_6031_DP,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4NCCNC4,TVMLOICDHJSDCP-UHFFFAOYSA-N
-F69D28FA1856F34D_607A000EFAA6E201_6035_UN,CC(OC1=CC=CC2=C(C)C=CN=C12)C3CCC(=O)O3,HCENCZWGFCLEIW-UHFFFAOYSA-N
-F7AD4445C3AD16E1_D65D351BA5F252CD_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=C(C=CC=N4)N5CCCCC5)(=O)=O,PEXFAIPAFJMTSJ-UHFFFAOYSA-N
-F89E272AA21D8C6C_71FAD041084A9279_6006_UN,NC1=CC(=C(C=C1)C2=C(C)C=CC3=C2C=CC=N3)[N](=O)=O,BDLKBEIBOAYIIW-UHFFFAOYSA-N
-F8AB55B7B58139CC_B8D29BB572A755B6_6031_DP,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4CNCCNC4,IRUSRZJNDNHVKT-UHFFFAOYSA-N
-FA5508537EBEB4D1_2CFF95102309F309_6038_UN,CN(C)C1=C(C=C(C=C1)F)NC(C2CCN(C(CCC)=O)CC2)=O,RJQFKLWCKSKSQQ-UHFFFAOYSA-N
-FA594493ED4BE54A_CA6ACF3335428AFD_6029_UN,BrC1=CCN(CC1)[S](C2=CC=CC(=C2)OCCCCCC)(=O)=O,KLZBHRXYGSIOMO-UHFFFAOYSA-N
-FAF475766242855D_B513327821F0C463_6041_UN,C1(=CC2=C(C=C1)CC[S]2(=O)=O)NC4=CC3=C(C=CC(=N3)OC)C=C4,MKXZLXQZVUAPHM-UHFFFAOYSA-N
-FAFBC31B76028380_CAF3370CDBDCB583_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC4=C(C=C3)CCC4,LIRILDSLSSWNCB-UHFFFAOYSA-N
-FB47DC54B5665BB7_520AE92D6B3B22F8_6029_DP,FC1=CC=C(C=C1)CC2CN(C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,FPYCHXMRVSAXKR-UHFFFAOYSA-N
-FBB07D39A27E9930_D64DC9329A836C4F_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,XKWFWBKDJNFHBK-UHFFFAOYSA-N
-FC590F3A17EBC45A_3352FF43A3E49D27_6041_UN,C1(=CC2=C(C=C1)C(=O)OC2)NC4=CC3=C(C=C[N]3CCOC)C=C4,UBUFJWDEPFYQTE-UHFFFAOYSA-N
-FEB685317A35A47B_6C26702666ECE453_6041_DP,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H]3CN[C@H](C(OC)=O)C3,OEYSHHORGKIMPC-RXTYADHFSA-N
-rxn:1:41288:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC=Cc4ccc5c(c4)OCC(=O)N5)nn3)C2=O)c1,CJWBIPNAWCFYON-UHFFFAOYSA-N
-rxn:1:63255:33381,COc1ccc(C(=O)O)c(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,MMPLMXHUICZPFE-UHFFFAOYSA-N
-rxn:1:63562:5400,Cc1cc(Br)c(N2CC(Cn3cc(CON4C(=O)COc5ccc(C=O)cc54)nn3)CC2=O)c(C(=O)O)c1,QQDLQPKCDQNAGK-UHFFFAOYSA-N
-00ABF7108C7F2120_C7756F5146B02D98_6038_UN,O(CC2=C(C=C1COB(C1=C2)O)F)C(C(C(C)C)[N]3C=NN=C3)=O,WLROHZXQMFSSAH-UHFFFAOYSA-N
-012B2827B410F256_ABB9538EC764C34F_6038_UN,N(C1=C[N](N=C1)CC#N)C(C3ON=C(C2=C[N](C)N=C2)C3)=O,HCMRQRAKAVOMCC-UHFFFAOYSA-N
-01A1B25D74E3F588_056EBF03D7DC5147_6006_UN,CN1CCNC2=C1N=CN=C2C3=C(C=C(C)C=C3C)C,NKGYSSWNANYBHC-UHFFFAOYSA-N
-01F2A7148F87815A_71B502CE9512A0BB_6027_DP,N1C[C@@H]([C@H]1CN[S](C2=C(CC)C=CC=C2)(=O)=O)C3=CC=CC=C3,DSLCLTQJJLAWHJ-IAGOWNOFSA-N
-023F54D2FD0183C7_127CCD637CA7C016_6038_UN,CN(C)C1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)F,PVNGBNZMFZZLON-UHFFFAOYSA-N
-04D9B5ACD84BD481_C5FD6B6606CD7DF3_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NCC4=CC=C(O4)[N](=O)=O,JGOWYFUIEDDFDU-UHFFFAOYSA-N
-05D6BE6B56437908_8BD8AA5E1E6D0D61_6006_UN,CN1CCNC2=C1N=CN=C2C4=CC3=C(C(=CC=C3)F)S4,HMQASFRGNABZLJ-UHFFFAOYSA-N
-08A720899DC659A1_2D5C9E43E16FB1E4_6029_UN,COC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,KLOKRZNYSGLGAS-HDJSIYSDSA-N
-08B1F8BEE7AE7FD3_FB99FE664D3C59E2_6036_UN,CC3=CN1C(=NCC(C1)N(CC)[S](=O)(=O)C2=CN=C(C=C2)Cl)C=C3,BRVNUIYMSGQFQU-UHFFFAOYSA-N
-0C8EB0B7E4B08529_7B49B88563D747C4_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3)F)[S](=O)(=O)F,SPIMFIXCQTUDLU-UHFFFAOYSA-N
-0DE57B99D9A8590C_5B5838AE4F213261_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CN=C(CN(C)C)C=C3)=O,LLIGBMRNCXSLEU-UHFFFAOYSA-N
-0FA119C1FFF15FAC_6A9E87FD99FAFAE9_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=C(CC)C=NC=C3)=O,NMWIDBXEGCFHHA-UHFFFAOYSA-N
-11EB3C2CD14E642B_05E569BE3407EC08_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3C(OCCC3(C)C)=O,WKFSNCWQPXULCV-UHFFFAOYSA-N
-13B09FE0399888FC_98C400AF1B3294F6_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC(OC)(C)CN,IUPRPGUGCHCWEX-UHFFFAOYSA-N
-13D60F755F9CAEAB_9782E11C1DF53BCE_6029_UN,N(C1(CCC1)C#C)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,YXDYBTVNEJHQMI-UHFFFAOYSA-N
-13F491BA3A96C355_1718E1BD982319F7_6029_UN,N(CCC1(F)CCC1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,CUSYJJXIUUAKNM-UHFFFAOYSA-N
-1462E07FF0F6AA04_6B45F8E6850C8585_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,IQYNTDPZUXTDKQ-JCNLHEQBSA-N
-19668A9FCDA5E377_4D9CE98BC3F6BC7B_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=N[N](CC(C)(C)C)C=C3)(=O)=O,WLSJXKDHMSBKGC-UHFFFAOYSA-N
-1AF16313C68F0932_E911D86D2D49C61B_6039_UN,O(C2C1=C(C=CC=C1)C3=C2C=CC=C3)CC4=CC=C(O[S](F)(=O)=O)C=C4,UXZRWEHRJAQAPV-UHFFFAOYSA-N
-1C1E0E9F4F890983_A59F94D7D7656141_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,BTWOZCGSEBDADS-UHFFFAOYSA-N
-1D56F24883ACBF44_90479C6C3FCA56C2_6041_UN,CC1=CC(=C(C(=C1)NCC2=NN=C(N(C)C)[NH]2)F)C#N,BEUKIHNFOJCBAF-UHFFFAOYSA-N
-1EDE544F69AFD3D6_AAF4B4E7315487E6_6035_UN,O(C(CC1=CC=CC=C1)C=C)C2=C(C=CC(=C2F)F)[S](=O)(=O)Cl,LNOWAPPSYYRXJD-UHFFFAOYSA-N
-1F4A50DAB9A72FA8_ABB97D8DF4B3995D_6029_UN,N(CC1CCCCC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,AHKQKOOTSJLQNZ-UHFFFAOYSA-N
-20A954D1309CE2C0_730CC8996FFEFFC5_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC=C(C=C2)N3CCC3=O)[N](=O)=O,YTRHJBLVNIHZRB-UHFFFAOYSA-N
-21478B366678A364_2E7805711D4FBDD4_6029_UN,N(CCC1CCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,UWRGWLWDJHGQDQ-UHFFFAOYSA-N
-226E225C72426847_66AB6254BE94A413_6038_UN,O(C1=CC(=C(C=C1)I)Br)C(C3=CN=C(N2CCN(C)CC2)S3)=O,NUULZHXBCQADST-UHFFFAOYSA-N
-241B074262D11517_C00332D822242553_6041_UN,CN(C)C1=NC(=CN=C1)NC2C3=C(OC2)C=CC(=C3)F,FAMCZXCSHYCTCQ-UHFFFAOYSA-N
-247F3A7341D07EDB_0F304D987D65D605_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC(C3=N[N](C)C=C3)(C)C,WTFZVJJYDYHMII-UHFFFAOYSA-N
-25A0ACCA00B5E801_0E4517726CF308D3_6027_UN,N(C(C1CCC1)C2CCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,KEYUWUITRQMQDM-UHFFFAOYSA-N
-25F2551AD6A7406F_F62AC1161B113B54_6039_UN,CC(OCC1=CC=C(O[S](F)(=O)=O)C=C1)CCCC#C,STCZHMNHULGUCV-UHFFFAOYSA-N
-2680D6AD2373221D_F7F90C2A1819E542_6029_UN,OC(=O)C1=CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,LUCJZDJOGBCFLW-UHFFFAOYSA-N
-2AEC5FBA0C6E8FEE_F0810BBF9CDF8B30_6034_UN,NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=NN=CC=C4,XVQAZEKZPWJULS-UHFFFAOYSA-N
-2C1E0EB4DC1B63CE_3BBD59CCDC1BDB4A_6038_UN,CCC(NC(C1=N[N](C)C(=C1)C2=CC3=C(C=C2)OCO3)=O)C4=NN=N[NH]4,MZTDNKAGWBEQLV-UHFFFAOYSA-N
-2C31767B70B9AA27_EC3757A80B636442_7019_UN,OCC(O)C=CC1=C(OC)C=C(C=C1)C2=CC=CC=C2,LFSYUDOCVVCMSN-UHFFFAOYSA-N
-2CF72288AA4BE42C_59EFDEC7894B04F7_6038_DP,CC1=C(C=CC=C1NC(CNCCOC)=O)N2C(=O)CCC2=O,HBMTWCNEQFVXBI-UHFFFAOYSA-N
-2D2A429698E120C2_B57688D22D5AABF2_6038_UN,N(CC1=CC=C(C=C1)B(O)O)C(C(C)N(C)C2=NC=C[N]3C=NN=C23)=O,DRGWMNAUYDJMLF-UHFFFAOYSA-N
-2E0B417FD5FCEE2C_0D284A3415695C3C_6038_UN,N[S](=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=NNC(=O)CC2)F,RTQYCFKGOMRDHH-UHFFFAOYSA-N
-328F71D58FAC82D0_A3E161240AB7B8C1_6029_UN,N(C1CC=CCC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,MEVSLIIYKXDJEI-UHFFFAOYSA-N
-332E2908AF72BCE7_E65214232CBC1507_6029_UN,N(CC1CC=CC1)[S](C2=C(C=C([C@@H](C)O)C=C2)C)(=O)=O,MDZOSGWNGXRUNG-GFCCVEGCSA-N
-33C692CDE6E79E5E_71006FE0E84B08E9_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,NSGXBVBOJCTVKX-UHFFFAOYSA-N
-33FF4C2D973987EA_0C115A22C721CA53_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=C([S](Cl)(=O)=O)C=CS3,CFBFYLWTDCGAPP-UHFFFAOYSA-N
-344F387CE628D103_CF946790D208BF8F_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N4CC=C(C3=CC=C(CC)C=C3)CC4,QWJRQNGLUUZDEU-UHFFFAOYSA-N
-34C79A7C3B8CB01E_9922CA4134C61296_6038_DP,C[N]1N=CC=C1C(NC(C(CCN(C)C)=C)=O)C(=O)O,IZUFHIFOHVEYEO-UHFFFAOYSA-N
-352E7AA40F7ACB02_16320FA96D59C326_6029_UN,N(CC1CC=CC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,IINXBQCPUNVWEQ-UHFFFAOYSA-N
-35F5D486D37ACD2C_62CE5851A385AB6A_6029_UN,ON(CC1=C(C=CC=C1)Cl)[S](C3=CC=C(C2(C)CCO2)C=C3)(=O)=O,VQJDJTXCKSKOCN-UHFFFAOYSA-N
-370398D1F4E04168_558F1F21F63BD076_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2)OC,AJXFOGVRSHPESJ-UHFFFAOYSA-N
-39263FF90E1009F7_64ED4B5D36315DE1_6039_UN,O([C@H]1C[C@H](C1)OCC2=CC=CC=C2)CC3=CC=C([S](Cl)(=O)=O)C=C3,TUSZQYKNOBEYRA-CALCHBBNSA-N
-3A93289F3C2F23A4_4A2A5D98A47403D3_6035_UN,CC2(C)CCC(OC1=C(C[S](C)(=O)=O)C=CC=C1)(CC2)C#C,XATGXLZEVHGSMT-UHFFFAOYSA-N
-3B0222BAAC0A9BFA_BE2D0B378662C4AF_6029_DP,CC1OC4=C(CN(C1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C=CC=C4,VYMLQFRDPRABBY-UHFFFAOYSA-N
-3B49B27B277539F9_4EB9770EE0727194_6029_UN,N(CC1CC=CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,LASOJZUEGODCIU-UHFFFAOYSA-N
-3C58B943A567714F_55D88A8B5638815B_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC(=C(C)C=C3)C)O4)(=O)=O,MPBMJMNJAOHAOK-UHFFFAOYSA-N
-3EB3DE5CEC59303F_93FD7790A5EF5FB2_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C3=CC=C(C2(C)CCO2)C=C3)(=O)=O,GDOKZFZPOOWWFG-UHFFFAOYSA-N
-3ED1F45A83E50BEE_65B09825F18D99F7_6038_UN,CC1=NC(=C(C=C1)OC(C2=NOC(C(C)(C)C)C2)=O)[N](=O)=O,BDBRRECCSGEPRR-UHFFFAOYSA-N
-3FF82C1033CBD515_0C45F776FEC23C59_6038_UN,CCOC(=O)C(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C2=CC=NS2,WZHBIARKOIOSIS-UHFFFAOYSA-N
-408A32022D06A5D2_08CFFF8D78FF9C93_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC=C(C)C,FYXYWQHAAYOJPK-UHFFFAOYSA-N
-418F91DEE9ADCE34_C2FA67F364B188F9_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC4=C(N=C3)OCO4)(=O)=O,SPWZZLPDJQBNQU-UHFFFAOYSA-N
-41C3D4CE9D426E91_B02BC787BBB4267F_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,URAREGAMCYLKRJ-UHFFFAOYSA-N
-41DC0888BE5037E5_75735D4373900639_6041_UN,C1(=CN=C(N=C1)[N]2C=CC=C2)NCC(COC)(O)CO,DRLKZERPVOSOEI-UHFFFAOYSA-N
-4285FFF20C2B2FCB_BDF052C5140CBC4A_6029_UN,N(CC(C1CCC1)C2CCC2)[S](C3=CC=C(CC)C=C3)(=O)=O,CDVCUZQEMSIQMR-UHFFFAOYSA-N
-45DF22813DBC7173_2E17136D74194ADA_6028_UN,N(CB(O)O)[S](C1=NN=C([N]1CC(C)C)C2=CC=CO2)(=O)=O,GQGCMQYRSGYHHD-UHFFFAOYSA-N
-4667F61B1B1C0614_1CF65FCE72805009_6038_DP,OCCO[C@H]3C[C@@H](OC(C2=C1[N](C=C(C)C=N1)N=C2)=O)C3,RYNWTVAWGWNJRD-PHIMTYICSA-N
-46E642C6BA555EAE_41797107088B9F0B_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C([C@@H](C)O)C=C3)F)(=O)=O,PXSQORNWGBIOTI-ODIFPOPNSA-N
-498B0272D3A68CBA_B712BC14B18AFE0A_6029_UN,N(N1CCOC1=O)[S](C3=C2N=C(Cl)C=C[N]2N=C3)(=O)=O,ZUZGJSGDGLXYSH-UHFFFAOYSA-N
-49A86F0296235462_73D9D34D921CFAD7_2875_UN,O[C@@H]1COCC[C@H]1[N]2N=NC(=C2)C3=CC=CC(=C3)C(C)(C)O,USCAIAAKWKIQGP-HUUCEWRRSA-N
-4C7D59134F68CD38_213BCACD509B55C3_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=CC=C([S](Cl)(=O)=O)C=C3,NLXFWEQDOFDMHX-UHFFFAOYSA-N
-4DC8FB4E8D6AC4DD_647D2AEE52A3A637_6041_UN,C1(=CC=C(C=C1)C(=O)C2=CC=CO2)N[C@H]3[C@H](OC)CC3,NHNXYUVBCUIYMB-ZIAGYGMSSA-N
-50267481D97FDBDA_9FB8CAAD9B5CF3A7_6029_UN,N(N1C(CC1)=O)[S](C2=CN=C(C(CC(OCC)=O)=O)C=C2)(=O)=O,XZOILTPTIDEGLV-UHFFFAOYSA-N
-53B77429579E3397_7739C5F0A5BD5AB4_6038_DP,N(C1=C(C=CC=C1)C2=CC=CC=C2)C(C3=C(O)C=CC=C3)=O,QUXDGLXARULUEL-UHFFFAOYSA-N
-546CC90D63B0676C_57F93851F11974F0_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=C([P](C)(=O)C)C=CC=C3)(=O)=O)C=CC=C4,NKSNMRSIZKCDSH-UHFFFAOYSA-N
-54EE29B966E72EFC_524224871C6627DC_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC(C)C3=CCN(C)CC3)C,CRLJJYRPDGQNHJ-UHFFFAOYSA-N
-55CC718C27CF8106_F24A33CD5FD23143_6035_UN,O(C1CN(C1)C2=NC(=CN=C2)Cl)C3=CC=C(C=C3)N4CCOC4=O,UKADAPGKYUUPPX-UHFFFAOYSA-N
-569EE7B1332F7EA7_2435E479830F5795_2201_UN,CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC4=C(C=C3)OCC4,VXLKWWWQDJQNCQ-UHFFFAOYSA-N
-591AC40D62C66CBE_992F4CE74C70DCD1_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,OFNVBJUJJOPIHW-UHFFFAOYSA-N
-5A84570D3A6241F4_FF4F3A61C84709DE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N3CCC(CC3)=CC4=CC=CC=C4,MJTVVIYEUICCFZ-UHFFFAOYSA-N
-5BF5800BD7403A04_8C49CA408A34C4D8_6039_UN,O([C@H]1C[C@H](C1)OCC2=CC=CC=C2)CC3=CC=C([S](F)(=O)=O)C=C3,ZJGGKBZHJCBZOJ-CALCHBBNSA-N
-5DA5960512A29739_83C302D06CB9AE48_6038_UN,N(C(C1=NN=N[NH]1)C2=CC=CC=C2)C(C3(C(N(C)C)=O)CC3)=O,PEMYAJILECHDQY-UHFFFAOYSA-N
-5F864E3F963BEB89_5B9007A58E5AEF96_6038_UN,COC1=CC2=C(C=C1)OCC[C@H]2NC(C3=CN=C(N(C)C)C=N3)=O,LYCOSSDPIRHIFC-CYBMUJFWSA-N
-614AC5169289E76B_4BD8D502A67C564C_6034_UN,CC1NCCC2=C1N(C3=C2C=CC=C3)CC(C4=CN=C[N]4C)N,PJQPHDUZYXRULI-UHFFFAOYSA-N
-63F1BE61B8F4DA0C_ABB10A02FAD329DD_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,BZWXPMNIEKQQBF-UHFFFAOYSA-N
-64E6E4BF9F610450_0036A23989163B50_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC(C)(C)[N](=O)=O,PGRDIHCDEZQSCF-UHFFFAOYSA-N
-66BD4D9A6C88B948_0C119752BB1BC79B_6041_UN,C[N]1C=CC2=C1C=C(C=C2)NC(C3=N[NH]C(=N3)C(C)C)C,SBTQJEXBDZBNPB-UHFFFAOYSA-N
-6824A40BFC607257_198A1A9D045E623D_7022_UN,CC1=C(C=C(S1)NC3=CN=C(N2CCN(C)CC2)C=C3)Br,DANNCIKTUZNLFZ-UHFFFAOYSA-N
-6920FAEFDEA41ADD_20B44BF343C40237_2875_UN,ClC2=C1CC[C@@H](C1=CC=C2)[N]3N=NC(=C3)C(N)C4CC4,DPCPNQSYBOBBED-MLCCFXAWSA-N
-6BD27F48A0190498_936AA47A7B89C706_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,LOCAIIBOPGEQCT-UHFFFAOYSA-N
-6F186690FA047309_0556210CE448866A_6029_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(CF)C=C3)(=O)=O,GAMQXUAYMJONDL-UHFFFAOYSA-N
-6FC92A29247F598E_A6B3ED3E14A9A1EF_6029_DP,CN(CC1=CNCC1)[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O,PJQHCSRRMFUXAY-UHFFFAOYSA-N
-702E7945CDB8FAAB_294BD2FC9D3C0A34_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)N[C@H]4CC[C@@H](CC4)N5CCC[S]5(=O)=O,KBSJFHJOECOOKW-MQMHXKEQSA-N
-70C08E6D529F25AC_D8CD1554455AE091_6039_UN,O(CC2=C[N]1C=CC=NC1=N2)CC3(O)CSC(=N3)C4=CC=CC=C4,JWHNDUHBSHCMHD-UHFFFAOYSA-N
-711F936A836BCAC5_12771C30693A6B7A_6029_UN,C=CCN(CCC#N)[S](C1=C([S](Cl)(=O)=O)OC=C1)(=O)=O,AATCMOKZDIEESG-UHFFFAOYSA-N
-7264F1F8A2B50E58_18076F48BD3A5FE2_6029_DP,CN1C4=C(CN(CC1=O)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C=CC=C4,WEEYSNQCFPGYHX-UHFFFAOYSA-N
-7359569409C22A49_2619B53231E9FBE3_6029_UN,N(CC1CCCC(F)(F)C1)[S](C2=CC=C([C@@H](C)O)C=C2)(=O)=O,QLDFTUPOLPVOKX-JHJMLUEUSA-N
-741CFD77821ACD8F_6B3E7954C9DCBD04_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC4CCC3=C(C=CC=C3)[N]5C=CN=C45,ZQWBZYVIJARUMN-UHFFFAOYSA-N
-74EF975D00C5C23F_763ECBACDB263C56_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=CC(=C(C=C3)O)C,SVEIJTTZVFAZQC-UHFFFAOYSA-N
-75C7EBC606068375_4B65D7AC4D513DA8_6034_DP,N1CCOCC1C2=NN=C[N]2CC3=C(N(C)C)C=C(C=C3)Br,NXYQBTWNBFNMPT-UHFFFAOYSA-N
-75D8198683F219E8_E4A09E01D789C545_6029_UN,N(CC1CCCCC1)[S](C2=CC=C(C(CC)(F)F)C=C2)(=O)=O,JRRWYTRDRBVWBK-UHFFFAOYSA-N
-78C0F18623D27D8F_F47BE7483120A415_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)N4CC(C3(C(F)(F)F)N=N3)C4,PPYCDYFKLVUGBU-UHFFFAOYSA-N
-78F94A53BA482B94_16978D9654839ED5_6041_UN,CN4CCC1=C(C(=NC=N1)NC2C(C)COC3=C2C=CC=C3)C4,KICJQHBZRBVDNU-UHFFFAOYSA-N
-7A1795F24380D904_2448D363E9EA6F98_6041_UN,O=[N](=O)C1=C(C=CC=N1)NC2CC(C)(C)OC3=C2C=CC=C3,YOICZCCXYKQQDW-UHFFFAOYSA-N
-7A88434DF857FBB8_45D36F3410402A7F_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(C)Br)C=C3)(=O)=O,JQWZIRADFPVXKI-UHFFFAOYSA-N
-7BB81E92D7C465EE_C988C6B9C5D35B26_6029_UN,FC(=C1CCN(CC1)[S](C2=C([N](=O)=O)C=C(C=C2)I)(=O)=O)F,JRJGYWFSOXAJJQ-UHFFFAOYSA-N
-7BBE5F15FFD4EAF3_DFAED7876AE90D12_6035_UN,O(C1CN(C1)C2=NC=C(C=C2)Br)C3=CC=C(C=C3)[S](=O)(=O)O,RWXCTPVXFNSZAF-UHFFFAOYSA-N
-7D2E7BE26D984483_0A9BCA7A94682325_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,XONBVZIGIRNAQH-UHFFFAOYSA-N
-7E133778D8AC499E_5B7C6D01195CD076_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,UMVPCBLARPXSBJ-UHFFFAOYSA-N
-7EA5F5FA93CE3323_68F4AE48430FC880_6029_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=C(SC)C=CC=C3)(=O)=O,BGPWLBSXJLGDQL-UHFFFAOYSA-N
-80F98CD987D4582A_1E5CE5126D47C10B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C(COC)C=CC=C2)=O,AMPBKQQFUQFKRB-LBPRGKRZSA-N
-85B48CE23B766AA6_C81E7F2D4E322B6A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC4CCN([S](C3=C[N](CC)N=C3)(=O)=O)CC4,IPSXDMUISWUTHP-UHFFFAOYSA-N
-85BBCCBEA7FFB669_06E6F599EC61F3E4_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=CC(=C(C=C3)O)C,UJZWHVIDNRBYMP-UHFFFAOYSA-N
-871D67B421D70339_AD2AF3611CAF6076_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C3=CC=C(C2=CC=C(C(OC)=O)C=C2)C=C3)=O,MHPGWZFXGGNEPQ-INIZCTEOSA-N
-8872B122B303E182_22B501938D4806B0_6029_UN,N(C1CCC(CC1)C#C)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,ZESKCOVUDWDPLF-UHFFFAOYSA-N
-889C0F6CD21EE14F_1A1634D77045A767_6003_UN,O(C1CCC(F)(F)CC1)C2=CC=C([S](C(C)(C)C#N)(=O)=O)C=C2,MTSMIRFDWVGBHY-UHFFFAOYSA-N
-8918C4D9E99360F4_E9300F69AE76C11B_6034_UN,CN4CCC1=C(C3=C(N1CC2=NC(=CS2)C)C=CC(=C3)Cl)C4,RDYODIZYLVHRLW-UHFFFAOYSA-N
-8A5D1E4733D28A83_9077DAF2512464F4_6029_UN,N(CCC1CC=CC1)[S](C2=CC=C(C(C)F)C=C2)(=O)=O,WHMSYRKKKGRYQE-UHFFFAOYSA-N
-8FBA1C0ABBE2F62D_D9B91C8E43DF74A1_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,GBUJPLCMLMVIBZ-UHFFFAOYSA-N
-9007D3B5BD95597E_D2252F635158F881_6034_UN,O=C3C=C(C1=CC=CC=C1)[N]2N=CN=C2N3CC4CN(C)C4,MRCVPKMHCWPJMO-UHFFFAOYSA-N
-90AB6C2BD4ED3787_019BC9E741D51F0C_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C([S](C)=O)C=C4)F,OZYHZEZRAVJLCQ-UHFFFAOYSA-N
-92E0CE3A2CB39F96_17F8490678DECAA4_6029_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=CC=C(SC)C=C3)(=O)=O,WAJLPPRMQGXBRQ-UHFFFAOYSA-N
-93336919F514B056_9DDC1B12328EA5F7_6029_UN,N(CC1(CC1)C2CC2)[S](C3=C(C(C)C)C=CC=C3)(=O)=O,XKCGGBMNXRTWMP-UHFFFAOYSA-N
-943283682B2B26CA_748FAD47131A4F9F_6029_UN,CN1CN(CC1=O)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,PELOJOKIPWAZSM-UHFFFAOYSA-N
-982E041962E76C6B_27A6CD3CDC165429_6038_UN,N(C1=C(C=CC=C1[N](=O)=O)[N](=O)=O)C(C2(CCOC)CC2)=O,YDFULFNSAFYDCF-UHFFFAOYSA-N
-98DC43BC9454277B_64A59DE16847619C_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(N)N=CC=N3)=O,SNRDGVIWZPDBBN-UHFFFAOYSA-N
-9A2BCF65D7A6B206_4A7B61869382CF31_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,OXHFQEPXDXCVMI-UHFFFAOYSA-N
-9BB8BBB82694FE82_D13AE9B51AB462A7_6041_UN,CC1=C(N=C(S1)NC2CN(C)CC23CC3)C4=CC=C(C=C4)F,QUSUNMHYECRVSD-UHFFFAOYSA-N
-9C10D233D83D4D83_1FE1D24A11B1D400_6038_UN,CC1=NC(=C(C=C1)OC(C2=NN(CC)C(C2)=O)=O)[N](=O)=O,PGIMGLDJFIJGJZ-UHFFFAOYSA-N
-9E1194342DCFB21D_32AEFE7195E49061_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC(=C(C(=C2)OC)C)OC,KSCWRKTVQYLDJN-UHFFFAOYSA-N
-9FA0EEAB48A110A0_F0BDCFE26CAE6FA3_2875_UN,FC2=C1CC[C@@H](C1=CC=C2)[N]3N=NC(=C3)C(N)C4CC4,UAQSQJORRCNZDN-MLCCFXAWSA-N
-9FBB391692274202_AD2E43AF0CE65BB4_6029_DP,C1CN(CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CS4,TWGPMIGCAMMZSQ-UHFFFAOYSA-N
-A0A7AA2772B97397_6F4AEF244702526E_6038_UN,CC1=C(C=C(C(=C1)OC(C3=CN=C(N2CCN(C)CC2)S3)=O)[N](=O)=O)[S](=O)(=O)Cl,YMDICMHKDJWXPW-UHFFFAOYSA-N
-A286760FEC728D52_A5F3261613A0DA1E_6038_UN,O(C1=CC=C(C=C1)[N](=O)=O)C(C2=CN[S](N=C2C)(=O)=O)=O,PTYIMEVSPFWPIV-UHFFFAOYSA-N
-A2D06CAA5E6C31E9_DB20ABF18D9B0776_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(CBr)C=CC=C2)(=O)=O,BFQNBEKJKNXWGU-UHFFFAOYSA-N
-A40385A84288C85B_F7F34423101285FB_6034_UN,O[S](=O)(=O)CC2=NC1=C(C=CC=C1)C(=O)N2CC3=CC=NC(=N3)N4CCN(C)CC4,QMXSDZDTYLGINO-UHFFFAOYSA-N
-A528EAD77119C4C7_89D32AC1AA20D511_6038_UN,N(C(CC1=NN=N[NH]1)C2=CC=CC=C2)C(C3(C(N(C)C)=O)CC3)=O,ALTXSFXUGNWYRT-UHFFFAOYSA-N
-A66655B4333F90B1_24CCE7957875A985_6003_UN,O(C1=C(C=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3C(OC)=O,LPIAMYJLLVJEQN-UHFFFAOYSA-N
-A6797D82CD37C968_88B37C4D0A2DC923_6029_UN,N(C1=C(C=CC=C1F)[N](=O)=O)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,UYPWZSWNRBDSJN-UHFFFAOYSA-N
-AA1C4BB5770E5483_F89BA593C2FD4D52_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(SC)CCC3,DASADNAUEMIKGY-UHFFFAOYSA-N
-AA4135EC28204962_24E99C330BD63B36_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)C#N)C=C3)(=O)=O,SMRLPTYAVYPEQF-UHFFFAOYSA-N
-AA56C72DC5B2E957_F3527C5BBB5F0894_6041_UN,O=[N](=O)C1=C(C=CC=N1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,XNHOSAAOEJJGDB-UHFFFAOYSA-N
-AB1F55CC704F948B_ED75348C99EA262C_7022_UN,COC(=O)C1=CC(=C(C=C1)NC2=NC(N(C)CC2)=O)[N](=O)=O,XFOXPIZLFOUGMF-UHFFFAOYSA-N
-AB273D40203FD22A_40EA9C9FB5DA98AA_7022_UN,CN(C)C1=NC=C(C=N1)N[C@H]2C3=C(OCC2)C=CC(=C3)Br,PZJIPUBYKHRRBB-CYBMUJFWSA-N
-AC4AB3C508B3AD00_03781EC2075DD518_6029_UN,N(C1(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,ROIAOKCQPHJMMB-UHFFFAOYSA-N
-AC55BE3D1A35A2C5_4E8E34F074F09F53_6003_UN,CC2(C)CCC(OC1=CC=C([S](CCl)(=O)=O)C=C1)(CC2)C#C,HZGYCIDQZNKEML-UHFFFAOYSA-N
-AEBBD9B977A61B8F_007CABDA9F14E838_6041_UN,CN1CCN(CC1)C2=NC=NC(=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,RZKALVBZNNRRNS-OAHLLOKOSA-N
-B088EBE4882B36D9_26B4C52C70F54FF6_6038_UN,COC1=CC(=C(C=C1)OC(C2=NN(CC)C(C2)=O)=O)[N](=O)=O,UIALLNGOTJUMSD-UHFFFAOYSA-N
-B1720FDB35FACA7B_C5A138CC56479D0C_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CN(CCN(C)C)C(C=C3)=O,ZMNGCBCTPIGRIS-UHFFFAOYSA-N
-B4B452CF388A9F5B_9BDD936703A06DE9_6041_DP,COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC(=C2)CO)C3=CC=CC=C3,TZWUVXSLKCROQC-UHFFFAOYSA-N
-B51EFD5E82A0F39A_498C7FFCFF8DA973_6041_UN,C[N]1C(=NC2=C1C=CC=C2)NC(C3=N[NH]C(=N3)C(C)C)C,YLJQPJMPXIMLNV-UHFFFAOYSA-N
-B5A2A7C592F04413_72BD649E03F9E3A5_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(CO)C=CC=C3,YHHMATWIQLKGEX-UHFFFAOYSA-N
-B5DCC49E264AE570_B2CECAB6EC54CE6F_6038_UN,COC1=C(C=CC=C1)CCNC(C3=CC2=C(N(C)C)N=CN=C2[N]3C)=O,OWOQXOBMABUKRP-UHFFFAOYSA-N
-B66203452B9CC173_95229BDFCCF029B1_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N2CCN(C)CC2)C=CC=C3)[NH]4,PPTHPBYHXJCZMZ-UHFFFAOYSA-N
-B9EA604321CD9935_C5A7384377CE7BC0_7022_UN,CC1=C(C=C(S1)NC2=CC(=NC=C2)N3CCN(C)CC3)Br,MZMQPJOOJAWEPB-UHFFFAOYSA-N
-BB02A7289F866070_C8189C99B7F2F2EA_6029_UN,N(CC1(CC1)CC2CC2)[S](C3=CC=C(C(C)(F)F)C=C3)(=O)=O,BIXGHPMMCJUJAB-UHFFFAOYSA-N
-BBB29207C6CB7DBB_058FE7A78E594210_6005_UN,OC1=C(C=C(C=C1)C2=C(C(OC)=O)C=CC=C2)C3=CC=CC=C3,NPRDXGZLFGRHPU-UHFFFAOYSA-N
-BD4F50932C9892F0_508F0AF47823EA16_7019_UN,C(C(=O)NC(=O)C1=CC=CC=C1)=CC2=C(CO)C=CC=C2,MDGDSKWCGQGBCG-UHFFFAOYSA-N
-BF74ACC9F504EE4A_2F197E69FCE9F39F_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCNC3)C)=O,FOVYMGVHBANHPL-UHFFFAOYSA-N
-BFE6C0EDA8802DDD_2615E04188A7CE58_6038_DP,O(C1=CC(=CC=C1)C2CC2)C(C3=C(CO)C=CC=C3)=O,POCKJOCWDALNBK-UHFFFAOYSA-N
-C00C61B6F6940281_F92B89FBD1DD7469_6038_UN,O(C1=CC(=CC=C1)[N](=O)=O)C(C2=CN[S](N=C2C)(=O)=O)=O,MYPFCWRUMIFICU-UHFFFAOYSA-N
-C0AFA97171B9F12A_AC14CFEEBD1C166A_6041_UN,CN1CCN(CC1)C2=NC=NC(=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,NJPADKJLYPSMRL-HNNXBMFYSA-N
-C2C438A969C1F7F3_D5A735FD6E6F28D6_6041_UN,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)N[C@H]3[C@H](OC)CC3,YZTPKDVRDMRYLZ-HIDCPEKUSA-N
-C2E638D9A92CFF31_867168FECB9E0726_6038_UN,COC1=C(C=C(C=C1)NC([C@H]2N(C)C(CC2)=O)=O)[N](=O)=O,GTRAZRCVXKFTCL-VIFPVBQESA-N
-C3AD1EED428BA701_C6442F600DB2FA7D_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC(C)C4=NC3=C(C=CC=C3)S4,PPHDDSGUCBAKME-UHFFFAOYSA-N
-C54A5539F8DD4B68_7FB8D154068AB113_6029_UN,N(CC1CCC=CC1)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,BVZXEZPOWFCIEL-UHFFFAOYSA-N
-C5EE9156F5424389_F2285E14F1962433_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=C(CO)C=CC=C3)=O,MUSVJEXCGONXBN-UHFFFAOYSA-N
-C6E63DEE66B7F79D_B4B915F9C48076F3_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(C(C)Br)C=C2)(=O)=O,KHELMVSSDASZGX-UHFFFAOYSA-N
-C7C331F7855C4166_6937783E699818D2_6029_UN,N(CCCC1CCC1)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,BTOLBBFTHFKAFO-UHFFFAOYSA-N
-C8AB8AAD322C15D8_03267D1491D09017_6041_UN,CC1=CC=C(C=C1)C2=N[NH]C=C2NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,SHLVFZWJEGSZRS-UHFFFAOYSA-N
-CC0DF2FC16A4938E_24AB15ACE206D913_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=CC(=C2)F)[S](=O)(=O)Cl,BSMNFMRWIDJFJZ-UHFFFAOYSA-N
-CE00DB4C2AD2D5FF_87F3524140FD2D67_6028_UN,N(C(C1CC1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,YXXFSVQLGPKGJR-UHFFFAOYSA-N
-CF63ECF0F1675AF9_499EEA0EB2563215_6029_UN,N(C1CC=CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,NZGHSAMIKQFPFY-UHFFFAOYSA-N
-CFC59684335F2791_8029792A612A105C_6026_UN,[S](=O)(=O)(C1=N[NH]C=N1)NC2=C(C=CC(=C2)N3CCN(C)CC3)[N](=O)=O,IQJSCCJDRGMUIY-UHFFFAOYSA-N
-D0B29FF9B288A72C_A5F32BF35F6B8166_6029_UN,N(CCC1CC=CC1)[S](C2=CC=C(C(C)Cl)C=C2)(=O)=O,GVIRWDCNMPWZRP-UHFFFAOYSA-N
-D14046B238B3B9C1_B2771ECBBBC31CB3_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)F)C=C3)(=O)=O,JFAGPBNNBQTMAM-UHFFFAOYSA-N
-D4CDC2566737F9B2_B3EA6A66441DB45A_6029_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,ACVJEYSZWBETQY-UHFFFAOYSA-N
-D4D7813B2004E539_F05CB39EF1FF54BA_6028_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=C(OC)C=CC=C3)(=O)=O,ORTONNWRNNUSMM-GASCZTMLSA-N
-D4EDD258CF5AE168_23C577AD41524A2C_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C(N(OC)C)=O)C=CC=C4,VDKXQJAUHQEMLY-UHFFFAOYSA-N
-D5075FF78926A2DE_018560070D41FF07_6041_UN,CN(C)C1=C(C(=CC=C1)NCC2=NN(C)C(C2)=O)[N](=O)=O,CTGHTCZPKBGYKP-UHFFFAOYSA-N
-D5268C6210833ADB_2FE51C77ED43BCFE_6041_UN,FC1=CC(=C(C=C1)NC2C3=C(N(C)CCC2)C=CC=C3)C4=N[NH]N=N4,QCRPBUZJTBSQOU-UHFFFAOYSA-N
-D6E6778A72AB3113_637093F2C0BD2DE1_6041_UN,O[S](=O)C1=C(N=CC=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,MVCRZEUDSUZIPO-LBPRGKRZSA-N
-D7F84B8803CE159E_15E710C0F271DBD9_6029_UN,C=C2CCN(C1(CC1)C2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,UCHWCMQGWRCDJT-UHFFFAOYSA-N
-D82F400F25379F41_90EF244B7AD96FB5_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=CC=CC(=C3)[S](Cl)(=O)=O,QLHNJCUTQSXVKH-UHFFFAOYSA-N
-D8BAC63839991804_CB2D3B98C9A70B2B_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)CC3CCCCN3C,IFNNMPYZFBSUSZ-UHFFFAOYSA-N
-D98D5654FCC8C22D_FE2F70FD15C5B12B_6038_UN,N(C1=CC2=C(C=C1)CCOB2O)C(C4=NC3=NC=N[N]3C(=C4)C(C)C)=O,HSLUWFDDYCFTRZ-UHFFFAOYSA-N
-D9DAC377AB398C9C_6424849807B6458E_6039_UN,O(CCCC[S](=O)(=O)O)CC1=CC=C([S](Cl)(=O)=O)C=C1,SYANLQCAUFXYJR-UHFFFAOYSA-N
-DB080D309FD507C2_A9D3EBAA58EF2CE0_6036_UN,C(C2=NC1=C(C=C(C=N1)Br)[NH]2)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,VDDNRLCRBGSFRC-UHFFFAOYSA-N
-DB2330656CDC47AB_40358FD9B9592EBC_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CN=C(C(C)(C)C)C=N3)(=O)=O,WOARKYCVHWFVNQ-UHFFFAOYSA-N
-DC495508AC034F6A_B8B804414F5F4491_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C=CC(OC)=O)O3)(=O)=O,TUAQGIHKVXFGQG-UHFFFAOYSA-N
-DD7198127016AEAA_131B305A00C2FC2E_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=C(C3=C(C=C2)C=CC=C3)F)Br,HRABORZPEQUKRX-UHFFFAOYSA-N
-DDAC5F7CA5F202A2_8C800585BBB3DCB7_6039_UN,O(CCCC[S](=O)(=O)O)CC1=CC=C([S](F)(=O)=O)C=C1,DKZGBZXJTJHEDT-UHFFFAOYSA-N
-DEFB46D859309416_3BC150FC25D90F71_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(C(C)O)C=C3)F)(=O)=O,PXSQORNWGBIOTI-UHFFFAOYSA-N
-E2CF08A84D8ECDAC_86F916DFA33C4D50_6029_UN,N(C(C1CC1)C2CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,IHCGJOHZPPBCBQ-UHFFFAOYSA-N
-E3EBCABD440F156D_E01FD52CDF6878DE_6029_UN,C=C1CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,VKXUTWZWIIUVBF-UHFFFAOYSA-N
-E489F0A086E69E8C_DF7A8E8FAEC69417_6028_UN,N(CC1CCC(F)(F)C1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,CVSLWPQNDCXGJW-UHFFFAOYSA-N
-E60B2FBC09325ED9_95517000227BBED4_6029_UN,N(N1C(CC1)=O)[S](C2=CC=C(OCCN(C)C)C=C2)(=O)=O,HWOXUQAXWCITHB-UHFFFAOYSA-N
-EB31F0D61B34DC90_7479EF4531FC0704_6029_UN,N(CCC1=CCCCC1)[S](C2=C(C(C)(F)F)C=CC=C2)(=O)=O,CINICHGTMBSGMK-UHFFFAOYSA-N
-EB43D7AB6F35F700_AFB1119927992298_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C)=C[N]2N=NC=C2)=O,CFDBPKWQEBFEAH-UHFFFAOYSA-N
-EBA15DCE419A46F0_49BB202CDB3A995A_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CN=C(C=C4)N5CCSCC5)(=O)=O,HFRPDNFFQMSTNC-UHFFFAOYSA-N
-ED381C7D199BEB73_2562474D4AC45861_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCCCCC2C3=CC=CC=C3,XUORTFQJAIAIPO-UHFFFAOYSA-N
-F1F2CE169C0CD10A_CD4EDD1603BE1CA9_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(C(C)C)C=C2)[N](=O)=O)C=C3,BASLENGEALROEX-UHFFFAOYSA-N
-F219424F86F73FFB_58F6C2B40E04E561_6038_UN,N(C2=C1OCCC(C1=CC=C2)=O)C(C3=CN=CC(=C3)C(N(C)C)=O)=O,HEDVTABWLVJBIK-UHFFFAOYSA-N
-F2FEB7EC17B5B7E3_3ED10B2B2E2ACFD8_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)C(N(CC)C)=O,SFOCLQOVAYTFLS-UHFFFAOYSA-N
-F5479674027C6696_83F60F586D252D1E_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4F)F)C(OC)=O,VNMXEHAKRPLEFI-UHFFFAOYSA-N
-F5522E4E6CDD9207_767D8C0159C118F0_6029_UN,N(CC1=CCCC1)[S](C2=CC=C(C(OC)(F)F)C=C2)(=O)=O,GGIVIGAGFITOEG-UHFFFAOYSA-N
-FAE22029FCC1D6BD_7A27234FF7F85805_6029_UN,N(N2C=NC1=C(C=CS1)C2=O)[S](C3=C([NH]N=C3)C4CC4)(=O)=O,CGDPZYWZVIVBFO-UHFFFAOYSA-N
-FB1C54D4F1D7544F_2CF09F35546FB788_6027_UN,N(CC(C1CCC1)C2CCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,CHDJZYVILMUGKB-UHFFFAOYSA-N
-FC6F642C6DCC9BAB_721ACDA192EF5822_6003_UN,CC2=C(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)C(=O)CC2,CPNWNXHEINFWDA-UHFFFAOYSA-N
-FCCF7EC97A55B350_2F620CBCB46DE94A_6028_UN,N(CC1(CC1)C2CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,XABJYKAVCFNZLQ-UHFFFAOYSA-N
-FEFD6D2BAF4C2B2D_B86642DB8C72753C_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CCC(CC)CC3,PMDXWXFLZWLVOH-UHFFFAOYSA-N
-rxn:1:51476:8285,CC1(c2cc(O)[nH]n2)CCN(C(=O)c2cn(CC3C(c4ccc(N5CCC(O)CC5)cc4)C3(F)F)nn2)CC1,KBZUDKQFVQMVCV-UHFFFAOYSA-N
-rxn:2:66021:100209,CCc1ccc(C2CCC(NCC3(CS(C)(=O)=O)CCCC3)CC2)cc1,JCJHHANATDUPOK-UHFFFAOYSA-N
-rxn:2:87117:164761,CN1CCS(=O)(=O)c2ccc(NC3CCCN(c4ccc5c(c4)OCCO5)C3(C)C)cc2C1,ADGZKOWJHKXBSO-UHFFFAOYSA-N
-018C386BB50D0FB4_379863B945A57CBA_6034_UN,N[C@H]1CC[C@H](CC1)C3=NC2=C(C=CC=C2)N3CCC[S](=O)(=O)F,IWBRLZYEUSLEHL-BETUJISGSA-N
-0346E8E4A085233B_E4D1241191097CD9_6041_UN,O=[N](=O)C1=C(N=CC=C1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,JMLBGDASLPZWBL-UHFFFAOYSA-N
-038594B5AEEFF680_A9E2B201C724B067_6034_UN,FC1=CC=C(C=C1)C=C2CC(=O)N(C2=O)CC=C(C)C,XZPWZOPPILSSGR-UHFFFAOYSA-N
-038E9B14988F031F_2753E51E1BE28F96_2201_UN,CC2=NC1=C(C=CC=C1)C(=C2C3=CC(=CC=C3)C)C4CCCC4,FMPLPBCYHBRFCG-UHFFFAOYSA-N
-04D0D532B32659E7_C2457C26B20A2154_6034_UN,NC4CCC1=C(C3=C(N1CC2=CC=C([S](C)(=O)=O)C=C2)C=CC(=C3)Cl)C4,LFOKQQUIELGITL-UHFFFAOYSA-N
-04E30C5E17EEBE3D_CAEED35BDDAFBC01_6035_UN,C[Si](C)(C)COC1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3,IHLOJEYNKAKZFT-UHFFFAOYSA-N
-04F7328C1192DB6C_D5CF0593894F14D0_6041_UN,C1(=N[NH]C=C1C#N)NCC2=CC(=C(N(CC)C)C=C2)F,VUJLYJDIUBQJLP-UHFFFAOYSA-N
-053DB93E0AF8D25E_D40D011DFC6FA97B_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NC(C)CCC(C)(C)C,KFSVZBRGVSGYFW-UHFFFAOYSA-N
-072DDF29C0CBAFDE_42DCE01EBAD79EC9_6041_UN,CC1=C(C=CC=C1)N4C(=NC2=C(C=CC(=C2)NC(C#N)C3=CSC=C3)C4=O)S,XMZKZMJJGHAEBH-UHFFFAOYSA-N
-073F0F07D9C51A79_22BF632753743206_6029_UN,CC1CN(CCN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)C5=C4C=CN=CC4=CC=C5,NFZFAAIWTUICGZ-UHFFFAOYSA-N
-080771F7C0ACD3CE_A23190BBB526B434_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,YDLPIZQMPLEARJ-AULYBMBSSA-N
-0B07339FA04A6047_E8D56FA4726F2496_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=C(C)N=C3C=CC=CC3=C4,PQHCPEXXLDHYCU-UHFFFAOYSA-N
-0C0152C2AB2036EC_300C6FAC50FA8537_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NCC(C(CC)C)OC,CUYRCTDZQSWISA-UHFFFAOYSA-N
-0FA16D4EB42FD602_A74AD90AB7EC15A2_6029_UN,OC1(CN(C1)[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=CC=C4,NJWNFBGJIPBJSX-UHFFFAOYSA-N
-1064E8CE42A60D77_03CAC3A57454218D_6041_UN,CCC1=NC(=CC(=N1)NC2CC(C)(C)OC3=C2C=CC=C3)C#N,ZSDOVJZTZKBYTM-UHFFFAOYSA-N
-10BB02066287D6D8_182BFC0273C1C76B_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3=C(N(C)C)C=CC=C3)F,POIOUFCWKNBLOJ-UHFFFAOYSA-N
-11A9ADB9BD7FE8C8_DD0383F5C0D01DD8_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C=CC(=C2F)CC)F)=O,ABKAJJCYMSNFTN-UHFFFAOYSA-N
-12B3999AD414301B_C17676C6441264D0_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=C(C=C3)I)(=O)=O,TVHOIDJOUXYGRI-UHFFFAOYSA-N
-14B0778AD582FA2A_2A59E07D9F58F32D_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3=C(C=CC(=C3)C)O[Si](C)(C)C(C)(C)C,PAFLTKKPVGQSMT-UHFFFAOYSA-N
-14B9C9F68E497849_F7815AC990C34C7F_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=C(N2CCN(C)CC2)N=CC=C3,JGWVNEDUFNFMSU-UHFFFAOYSA-N
-1728FBD5A018C92B_45600F01DAC457A5_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,VKIHUAVYUYJSDZ-UHFFFAOYSA-N
-17E805A5357088D9_89E77256C7F44CB8_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2=C(CCCC2)C#N)C3=CC=C(C=C3)F,VYKMXAYXGUCWDC-UHFFFAOYSA-N
-19517B9886C5008D_37A078B36A14F32C_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C(C)COC3=C2C=CC=C3,LHIOKEJQLMHPBD-UHFFFAOYSA-N
-1C14CD1BC45B1418_D20B7FA4CBD98117_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,ABQOMPDPRIAWGT-AULYBMBSSA-N
-1C323EA2AF877595_C24A9B414CFE8A4E_6003_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=CC=C([S](Cl)(=O)=O)C=C3C#N,LBWNUCVQTFROAR-UHFFFAOYSA-N
-1DFAD5D46CFACA3E_20869E2DA7E622F0_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C2=C(C)C=C(C=C2)N3CCOCC3)(=O)=O,SLHKONWAPDUGQT-UHFFFAOYSA-N
-1FC6539AEA1EBA69_ED5EAF70B82303AD_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C(O3)C4=CC=CC=C4,IJWZLRJLJWEWKJ-UHFFFAOYSA-N
-221503CFA3098F29_269DE8458ECB129D_6038_UN,N(C1=CC=C(C=C1)C2=CSN=N2)C(C3N=CN(C)C3)=O,PLCSTKKZACVZSY-UHFFFAOYSA-N
-2544740196CAFFD5_A0E75D122C2D5872_2267_UN,FC1=C(C=CC(=C1)C#CC2=C([NH]N=C2CC)CC)C#N,FFQWADKJJUYBQA-UHFFFAOYSA-N
-26024C906B8F82F7_E0830D27AC387BDD_6006_UN,CC4=CC1=C(N=CN=C1C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C)S4,KGXRTHDYSPTVPD-UHFFFAOYSA-N
-26142A722087BF4A_014B3A0DBB255D7A_6041_UN,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3=CC=CC(=C3)N4CCN(C)C4=O,AIHHRPPIKWSTPI-UHFFFAOYSA-N
-262ED8A086806A07_B6D8242322E2142C_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=C(C=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,RYWSEIJNWUXLGW-AULYBMBSSA-N
-269526D34E570FFB_4636DC53BA71A50E_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)N[C@H](CC#N)C3=CC=CC=C3,LTUDXVDMKGAIIJ-CQSZACIVSA-N
-270CC428910C95EE_5945B049BDA43FC4_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CSCC3)CC4=CC=NC(=N4)C[S](C)(=O)=O,JBRCWSLLTPUEQK-UHFFFAOYSA-N
-281E6E9D6796C5D2_BA6247C592C1BA7B_6034_UN,COC1=CC2=C(C=C1)N(C3=C2CC(C3)N)CC4=C([S](C)(=O)=O)C=CC=C4Cl,RBJUFWUITQOFLP-UHFFFAOYSA-N
-2BB9636AC83B3705_CAE5ECFA43457F8D_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC(=CC=C3)Br)(=O)=O,WAXRYEHXQUKJRQ-UHFFFAOYSA-N
-2C695DD607CF6C45_85CE2CAB1E2651D0_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,AEMVABRJLCHWLP-UHFFFAOYSA-N
-2D56B46125EF88C5_CF3636090AB846CA_6041_UN,CC1=C(C(=CC=C1)N=C=O)NC3=CN=C2C=CC=CC2=C3N4CCN(CC)CC4,INASTVHMAWUNKR-UHFFFAOYSA-N
-2F8E88B0AD24AF41_421F7EA17059556D_6005_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC(=C3C)C(OC)=O,UZDVWAJWEXGPRG-UHFFFAOYSA-N
-317953C0B2F2F3C0_BB4B5EE84D9BE054_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)N4CC3=CC=CC(=C3CC4(C)C)C,NBULRDPUTNFMNS-UHFFFAOYSA-N
-31F284601CED7300_86B122553C77F8DC_7022_DP,OC1=CC=C(C=C1)OC3=CC=C2C(=CC(OC2=C3C)=O)C4=CC=CC=C4,TVHJTSZSNWXEAW-UHFFFAOYSA-N
-32E264EA89921A36_862B74092097412C_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=C(C(=C3)F)Br)(=O)=O,RQNFOOBRGQHTAV-CZMCAQCFSA-N
-33657CFB09658CE2_E273B4DC6672B988_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)CN(C)C4CC4)(=O)=O,SMLKOCONBZOTKF-UHFFFAOYSA-N
-3435BAA9EF8AAC85_9E2FD6C1C9E62B2B_6041_UN,CC2=C([N]1C=C(C=CC1=C2)C#N)NCC3=NN=C(N(C)C)[NH]3,XZPSQODFQBCUSJ-UHFFFAOYSA-N
-3503DCF655A2419B_69739640FC802305_6029_UN,N(CC1=C(C=C(C=C1F)C(F)(F)F)F)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,YTPJERHFTBRHAT-UHFFFAOYSA-N
-3743AD39597E4283_6D0A43BEBB3F0EB2_6041_UN,CN1CCN(CC1=O)C2=NC=NC(=C2)N[C@@H]3C4=C(OCC3)C=CC(=C4)C#N,QOVJTTBGJUIOJE-HNNXBMFYSA-N
-393B0DADE1AA05EC_6DC65450775D18C3_6035_UN,O(CC1=C(C=CC=C1)C2CCC2)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,VITHYXZUXKHDKP-UHFFFAOYSA-N
-3CE0A6A4101E566E_0A3A45093AE9A28B_6034_UN,CN4CCC1=C(C3=C(N1CC2=CN=NS2)C=CC(=C3)Cl)C4,NUNBLAYYMMDCBS-UHFFFAOYSA-N
-4120D82592865464_AF9D4DA7B433A37A_6006_UN,CC1=CC=C(C=C1)C2=NOC(=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,DFRXADINOOXMPV-UHFFFAOYSA-N
-42988BC47B4770B3_B4C7795657BC68DA_6039_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OCC3=NC2=C(C=CC=C2)S3,BHDVSDQSKSODFK-UHFFFAOYSA-N
-42A58871F51A2FDE_26FB9BA1450BE12B_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=C(F)C=C3)Cl)(=O)=O,NPDGKYQQJBNKCX-OTCDBFHCSA-N
-42EA012EBACBEDF1_007BD1575627E77A_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OC2)C=CC=C3F)C(C)(C)C,MASJQNICFGPMMR-UHFFFAOYSA-N
-47C0FBF69D3C72FA_77BE495B04356767_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(F)C=CC=C3F)(=O)=O,XNHLWBVGEGCGJN-AULYBMBSSA-N
-49420C454810132C_C607B7E43119D8FF_6034_UN,ClC2=C1C=C(N(C1=NC=N2)CC3=CC=C(O[Si](C(C)(C)C)(C)C)C=C3)Br,CPAMKAAHSHZACD-UHFFFAOYSA-N
-49A510245293D162_13649374E8E2133C_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC4=C3C=C(C=CC3=CC=C4)C#N,NCXFFKAUCBBHIB-UHFFFAOYSA-N
-49EA600222C53710_1F56B0F53FC3B4CF_6039_UN,CCC(OCC3=CC=C(C2=NC1=C(C=CC(=C1)C)S2)C=C3)(CC)C#N,SMIWVGRXBRUYHG-UHFFFAOYSA-N
-4A76B49F0D9478F2_CD4D4D8AF921B100_6041_UN,CN1N=CCC2=C1N=CN=C2NC3=C(C=C(N(C)C)C=C3)C,NGUQUJWSCIQGCR-UHFFFAOYSA-N
-4C1988C80DBA4927_EE4EA294B9B76BA5_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[NH]C4=C3C(=CC=C4)F,KWRXINIUVOPTPS-UHFFFAOYSA-N
-4D1BF470AAF5FB33_837CA9AD00C5A273_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,MUIUBPMZBQYKKW-UHFFFAOYSA-N
-4E47A746A31B747A_566446DFB9A97D07_6035_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,VPVIUPSSNYMLAL-UHFFFAOYSA-N
-4F8DBF5B3DF96B43_032F9701E0C53557_6029_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,QSIQEDNWQATYDT-UHFFFAOYSA-N
-502FA30BA4FED69C_440309EC23440413_7022_UN,C1(=CC2=C(C=C1)OCO2)NCC3=C(C(OC)OC)C=CC=C3,XIKYKJGNPZECMP-UHFFFAOYSA-N
-51469E4B0522B9F3_44644F7271F802D0_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2=C(CCC2)C#N)C3=CC=C(C=C3)F,LIDNZWHMOPULBO-UHFFFAOYSA-N
-545513FDA8D4AE57_53BFA21140E4ED31_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC3=CC=C(C(F)(F)F)C=C3,XTZMERGTAJWNOV-UHFFFAOYSA-N
-56BCBEA490FB21FF_01CC0FC577A9B055_6026_UN,[S](=O)(=O)(C2=C1OCOC1=CC=C2)NCC4=C(N3CCN(C)CC3)C=CC=C4Cl,YKNANDCXTAUYMZ-UHFFFAOYSA-N
-5A7E97DE072C0B70_1181606D5367C533_6034_UN,CN4CCC1=C(C3=C(N1CC2=NON=C2C)C=CC(=C3)Cl)C4,ZAVKAROFTKHGDK-UHFFFAOYSA-N
-5C062CD8810518C5_6C71985E5CBCFB0A_6029_UN,FC1=C(C=CC=C1)C2=CCN(C2)[S](C3=C(C=CC=C3)N4CCOC4=O)(=O)=O,WBTGWNBSXCEZHP-UHFFFAOYSA-N
-5C1470A49E5EE818_52CAE4AFBFBBAD97_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(SC)C=CC(=C3)Br,RWSMSTRBYJIFRU-UHFFFAOYSA-N
-5F557ABFCCCD1048_4C9DC9CFC5B5B662_6029_UN,N(N1C(CC1)=O)[S](C2=C(CC(OCC)=O)C=CC=N2)(=O)=O,QQQMPEDYDMAKQL-UHFFFAOYSA-N
-5FFF2A7B22FDB933_60675D98AB1F5294_6029_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=C(Cl)C=CC=C3)(=O)=O,BCDZKUKHSXRTRL-UHFFFAOYSA-N
-650BF72650D932BB_BDBDB33CCB01F321_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=C(C=C3)Br)(=O)=O,APGHXKAGDKEWQN-UHFFFAOYSA-N
-663581D17CE3DAE5_6F4546DDD47A1EF6_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,PWENFUHACNWVFB-UHFFFAOYSA-N
-67912B6E0D5A3508_C087CEDF09A46608_6029_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=C(CSC)C=C3)(=O)=O,CSIWDFXAKSRFBC-UHFFFAOYSA-N
-67D0E200B1C6C694_E331CE0A1E149108_2875_UN,FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C4=C(C(C)=O)C=CC=C4,AZKBZVDYCIQCFE-UHFFFAOYSA-N
-683684659BD3446B_5B0DA3ED61DD59B7_7013_UN,CN1CCC(CC1)[N]3C2=CC=CC=C2N=C3C4([S](C)(=O)=O)CC4,QAGKDDISSSECAA-UHFFFAOYSA-N
-68661B9ABD6B1C5F_26E03B114C342BD9_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC(=CC=C3)I)(=O)=O,AQOJBHHNVGMGNY-UHFFFAOYSA-N
-68C12E5F0C686B3B_4C3DD06B89E3EBA4_6029_UN,N(CC(C1=C(C=C(C=C1)F)Cl)C(F)(F)F)[S](C2=CC(=CC=C2)C3CC3)(=O)=O,IOLXBCMBAURRBU-UHFFFAOYSA-N
-6F06225F0BB3501F_936AC0461330CAA8_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O)F,RJAYJYVLWZWIBS-UHFFFAOYSA-N
-70CF92C1940B2BD6_567F88733E086475_6003_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=CC=C([S](Cl)(=O)=O)C=C3C#N,YYRABDRUQGFMMN-UHFFFAOYSA-N
-73BF3556F4429D6E_7BCE9FC85F9C8B04_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N4CC3=CC=CC(=C3CC4(C)C)C,DVEDQHGYPFQMAV-UHFFFAOYSA-N
-74087F9B2D52F3DA_2429CA296130F988_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC(C)C3=NC2=C(C=CC(=C2)Cl)S3,LZRATGWWQOLKIY-UHFFFAOYSA-N
-74EBAA56FE37D82A_929851DEDFD107D1_6041_UN,ONC(=O)C1=CC=C(S1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3,IOBALZWJMXBYOK-UHFFFAOYSA-N
-76C1F5D92288A772_E4B07243411CAD6F_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,VLQBVHBLHXAANP-UHFFFAOYSA-N
-7890B56AF0307FC4_3397A63244D36134_6041_UN,CCC1=C(C=CC(=C1)N[C@H](C2CCC2)C3=CN=CC=C3)N=C=O,CWPVRLUSCZHNRY-LJQANCHMSA-N
-78F050644E263B15_023D5B2D0F467701_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3C4=CC=C(C)C=C4)N5CCCCC5)(=O)=O,MYQIRQDBDKVHRF-UHFFFAOYSA-N
-7BAD71E863BDE753_6A36B0569C23F95D_7015_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=C(C)C=C3)(=O)=O,JRAYBYUZRLMFQQ-UHFFFAOYSA-N
-7C8E16921647DE61_1F6745EABCB5D890_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,FINXLFUTZGKPSS-UHFFFAOYSA-N
-7EE257042820ACBB_13CAFC57C50848FB_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=C(F)C=CC=C2C3CC3)(=O)=O)CCCC4,WOFOWIOZPJCNKK-UHFFFAOYSA-N
-839CC56A987B7E49_9D0D7886DB95524E_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5CC4=NN=N[N]4CC5,KVLBXNIYCMXMRM-UHFFFAOYSA-N
-84B5BB9BCE42A0F5_808666D08D632B1D_6038_UN,N(C1=C(C(=CC=C1)F)C2=N[NH]C=N2)C(C3N=CN(C)C3)=O,MSQFUCWKHFEDIH-UHFFFAOYSA-N
-85510EEB91328DE4_FD7E5D0475E12206_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,QXHQNPKILCVJHS-UHFFFAOYSA-N
-85CE456ECCC4CFF2_0F7FC7EFAA3546CA_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C(CC)N=NC(=C3)C)=O,IMRSYZGDZUZAOK-UHFFFAOYSA-N
-8788EC83BD595BD8_A29C678743D2FE6A_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CC(OC(C)C)C3(C)C,BMSKBOGKPPZQOI-UHFFFAOYSA-N
-882FE5F6BAEE97AE_177064658647938A_6029_DP,CN(CC1=CNCC1)[S](C2=CC(=C([C@H](C)O)C=C2)F)(=O)=O,CUFCGYJDDSPDOT-JTQLQIEISA-N
-884FE9B27983A591_EC3029814897963E_6034_UN,CN4CCC1=C(C3=C(N1CC2=C([NH]N=C2C)C)C=CC(=C3)Cl)C4,CRVUMAYCBLSMQQ-UHFFFAOYSA-N
-8898FDF082D5573D_1C77D72C174C3C4C_6029_UN,IC1=CC=C(C=C1)C2=C[N](N=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,HXGJQNHPYQJCEJ-UHFFFAOYSA-N
-889F5F224CB5C447_57433B5FF5CDFDAB_6034_UN,NC1C2=C(CCC1)C4=C(N2CC3=C([S](C)(=O)=O)C=CC=C3)C=CC(=C4)Cl,ZJUOTOXQYMPIFP-UHFFFAOYSA-N
-8971D2D7F8F11220_9636B6309F5D5D0B_6035_UN,NC1(CCC(CC1)OC2=C([S](C)(=O)=O)C=CC=C2)C(F)(F)F,HZWMWUWCPKBGSF-UHFFFAOYSA-N
-89FF3D49CCC92CFE_764BB3D32D1062A7_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC3C4=C(OCCC3)C=CC(=C4)F,VGXXLWPUIVJGFN-UHFFFAOYSA-N
-8AFFE6C0789C254C_D97AEA6FD910B610_6041_UN,COC1=CC2=C(C=C1)N=CC=C2NC3=C(OC)C=C(C=C3)N4CC[S](CC4)(=O)=O,SMHLWDRBFTTWHK-UHFFFAOYSA-N
-8CA898EF02C167C6_FB180E3D385F83EF_6029_UN,FC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,LUSHHYXOHNOLRX-UHFFFAOYSA-N
-8F8AFD9DC7B25C97_79B73338F59DD418_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OC2)C=C(C=C3)F)C(C)(C)C,SAAJUFVIEZDEQD-UHFFFAOYSA-N
-9375625E7331CF5A_E3A02ED36C223270_6035_UN,O(C1(CC1)C2=C(C(=CC=C2)F)Cl)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,UMCHGMAERCKSRQ-UHFFFAOYSA-N
-9376923C0BA70FD6_F60D56B32234F808_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)Cl)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,SKZJKKKECJQQCI-UHFFFAOYSA-N
-952258E08BDAD3DE_7D1C09774394C6EB_7005_DP,COC1=CC=C2C(=N1)[NH]C(=N2)C(CC3=CC=CC(=C3)C)N,CIHIDMQCUGGUOY-UHFFFAOYSA-N
-956F515D6B9AA29E_7E8BE88F1088D0BE_6041_UN,CCC1=NC(=CC(=N1)NC2CC(C)(C)OC3=C2C=CC(=C3)F)C#N,AHVXWKHPMAMHPQ-UHFFFAOYSA-N
-9B42E24681ECAE19_9DC4C6A4AE67008E_6029_UN,CN1CCN(CC1)C2=CC=C(C=C2)N[S](C4=C(CBr)C=C3OCOC3=C4)(=O)=O,KXQQKPZAFIKFLS-UHFFFAOYSA-N
-9CAEF56F80A91608_DD1D1DCC1F26465A_6034_UN,ClC2=C1C=C(N(C1=NC=N2)CC3=CC=C(O[Si](C(C)(C)C)(C)C)C=C3)I,CNPPYQCFBCRSHL-UHFFFAOYSA-N
-9CD80042D0F279E9_FF9B5C904F6B3054_7019_UN,COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C=CC3=C(CO)C=CC=C3,ZXGCXVIPWVQFIJ-UHFFFAOYSA-N
-A237A3CB34E2430E_C6E2CB3C5C1D210F_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,UGKDABBUUOSKKI-AULYBMBSSA-N
-A2D0F5995CC612C6_D581792FFC7FDDCD_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC3C2=CC=CC(=C2OCC3)CC,QAAAESQNJONSMI-UHFFFAOYSA-N
-A461CF473C6ED152_CC5B515D641F14F2_6029_UN,COC1=CC(=CC=C1)C2=CCN(CC2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,WNYALFHDZCKHQI-UHFFFAOYSA-N
-A9423BC957C7A584_AE96DF91A09B69C9_6041_UN,O=[N](=O)C2=C1C(=CN=C(C1=CC=C2)NC3=C(C)C=C(C=C3)C4CC4)F,HNYYJIPWIBUPNP-UHFFFAOYSA-N
-A9572DC29D9CBE82_E559AF247089CB00_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C(=CC(=C3)F)F)I)(=O)=O,CWMUFSZMNSAOOD-JLIMDTESSA-N
-AC776A0256377A38_EE9A8E4231477006_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=C(O[Si](C(C)(C)C)(C)C)C=C3)F,SPCXFQJSHJNRNO-UHFFFAOYSA-N
-AC7CC1C4C7A3691C_B1A0FD0C9287F61A_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,LDURIMLRJAHDBE-UHFFFAOYSA-N
-AE9A579BDAD3DF08_D501761219E857AE_6029_UN,ClC1=CC=C(C=C1)CN2CCN(CC2=O)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,SOGSPTIEXZRGEE-UHFFFAOYSA-N
-B1D5610428B29855_EE8D5D1BBDA50B7C_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=C(C=C(N3CCN(C)CC3)C=C4)C)F,VSFNVSCHFCTXID-UHFFFAOYSA-N
-B410A4016821F9B8_F616981FA595E17A_6003_UN,O(C1(CC1)C2=C(C=CC=C2Cl)Cl)C3=CC=C([S](Cl)(=O)=O)C=C3C#N,GODXCPCYFXEEFI-UHFFFAOYSA-N
-B7EB815B47210796_CBE2247FB64FBF28_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C=CC(=C2)CN(C)C)C)[NH]3,NRGBCNMSQVMLTM-UHFFFAOYSA-N
-B84CCA2131190741_492843C7CEA1ED01_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=C3OCC(C3=CC(=C4)C)O)(=O)=O,JPEKKXOUOISRGJ-UHFFFAOYSA-N
-BA03B6630755A122_803250D71094767B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC(=NO3)CC4=CC=C(C=C4)F,FZBVAGCDTIIRAN-UHFFFAOYSA-N
-BC6D802079F4AA85_4DC2E956F600E355_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,OORBQFZOOQYXBR-UHFFFAOYSA-N
-C0222F7BEDB61712_7C545CD61486A56F_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC3CCN(C2=CC=C(CC)C=C2)CC3,PKECAJZEYZYLEK-UHFFFAOYSA-N
-C1CC37E8E9ED860A_610C9D991456F26D_6034_UN,CN4CCC1=C(C3=C(N1CC2=NN=C(C)O2)C=CC(=C3)Cl)C4,ZNRATJFDHQJKES-UHFFFAOYSA-N
-C2563B3FC6BA3949_E9B2087195B7F979_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,IOEFADZPLMTLFJ-UHFFFAOYSA-N
-C3CF92BACB08D353_9E909A505E960737_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OCC2=CC=CC3=C2OC(=N3)C,JMIQEGVHSUITNR-UHFFFAOYSA-N
-C52276C74E4A96D8_2710AC0436E149AB_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5CC4=NC=N[N]4CC5,YERGLLNHAZSUFS-UHFFFAOYSA-N
-C5E09A913BDB51C6_802A1A28D947F721_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC(C)C3=NC2=C(C=CC(=C2)Cl)S3,BKAAHIOVJQEXNQ-UHFFFAOYSA-N
-C8872B13975D6000_13442CD4FDC8BDC4_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=C(CC(C)(C)C)C=C3)(=O)=O,OKFFQARTKJVGQA-UHFFFAOYSA-N
-C8F6C5EC4EA4D170_2DA0E4249326EC90_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NCCC[Si](C)(C)C,XWGSXLSPDOQGOB-UHFFFAOYSA-N
-C98C8D431BFE58DC_1A3A38175511BB2F_6041_UN,COC(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=C(C=C(N(C)C)C=C3)C,XCGDRVPSBXKMOO-UHFFFAOYSA-N
-CA032C2A5E6F8668_90FFE4C7468A8605_6026_UN,CC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3CN(C)C3,MJKBOHKNZFKDPP-UHFFFAOYSA-N
-CA434E2FCB4A7589_114E3552B2550A08_6038_UN,N(CC2=NN=C(CC1=CC=C(C=C1)F)[NH]2)C(C3N=CN(C)C3)=O,FNHLOEYIMDHCBT-UHFFFAOYSA-N
-CD33C9825870AF3A_684B1C1899EE3ACA_6005_UN,BrC2=NC=C1[NH]C=C(C1=C2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,QIKLMNPODANNOG-UHFFFAOYSA-N
-CDF665ACD648BFBD_C8BB545167DCB897_6041_UN,CC1=NC(=NC(=C1)NC2CC(C)(C)OC3=C2C=CC(=C3)F)C(C)(C)C,LZQDYRJZKSXMFD-UHFFFAOYSA-N
-CEC4F46D8ABD3744_AF628C1785EC4473_6029_UN,N(CC(C1=C(C=C(C=C1)F)Cl)C(F)(F)F)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,OIOOFAVUTTXCND-UHFFFAOYSA-N
-D082C29BCCEA718D_CE8C976CEEF3A95B_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=C(C)N=CO3,RTKVYJAGFATWNO-UHFFFAOYSA-N
-D246271C7514C8FC_0F5786B791894952_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CSCC3)CC4=CC=CC(=C4)[S](C)(=O)=O,QOUUZBHNSOVGNM-UHFFFAOYSA-N
-D291BCD112B1A16E_D41D829B0E324899_6029_UN,OC1(CCN(CCC1)[S](C2=NN=C3C=C(C#N)C=C[N]23)(=O)=O)C4=CC=CC=C4,RGZUACYLUXEIJU-UHFFFAOYSA-N
-D34320BFED91894A_CF48006F1488A039_6035_UN,NC2CC(OC1=CC=C([S](C)(=O)=O)C=C1)(C2)C(F)(F)F,PNHOAQNUOVSEAL-UHFFFAOYSA-N
-D3FC1A1FD6ED810D_DACF926E822E7FE1_6029_UN,ClC1CN(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,FKCBSXTXJNUPAD-UHFFFAOYSA-N
-D51972D40D6524C4_841E4C9F3E7781BD_6029_UN,N(CC1=CC=C(C=C1)N2CCOC2=O)[S](C3=CC=C(N=C=O)S3)(=O)=O,OKZQOIHCVDQNKT-UHFFFAOYSA-N
-D9311ACCE7AE0B9C_70B8081A87979DE2_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(C)CCC(C)(C)C,VPPNGHPOBLOCAE-UHFFFAOYSA-N
-DA142ED7724DF70B_ADB3AA6943BFBAAC_6041_DP,COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NC3=C(O)C=CC=C3,LKQWXLRTGYSNKZ-UHFFFAOYSA-N
-DA91A16DD7CB8AD7_7A576FD630866631_2201_UN,CC(C)C1=CC4=C(C=C1)CCC5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45,YIGXLKSEAXIYRD-UHFFFAOYSA-N
-DBD4414377CFC5FE_B65E8630ACA31804_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)C(F)(F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,CIFSOQSVIAOZDN-AULYBMBSSA-N
-DBF7058C601D03F7_1070804E095F0CD0_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,IQXASDXXLPCKTG-UHFFFAOYSA-N
-DC51D70A79E48242_2215C2A4583C4B2D_2875_DP,N1CC(C1)([N]2N=NC(=C2)C3=CC=C(N(C)C)C=C3)C4=CC=C(C=C4)Br,SFHCQKZHBVSALZ-UHFFFAOYSA-N
-DDDD291DF512C8F1_E023351C80D9E99F_6035_UN,CC#CCOC2=CC=C(C1(CC)NC(=O)NC1=O)C=C2,BFFZGWOUCXNSMS-UHFFFAOYSA-N
-DE0E92E3A9448083_F2C1DBAEE4072B41_6005_UN,BrC2=C1C(=N[NH]C1=CC=C2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,OAEQLUUWXHCNAN-UHFFFAOYSA-N
-DEA07CA45E699E5A_1792DBFA8CED558E_6029_UN,FC1CN(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,RIOBBOQXNZQPLI-UHFFFAOYSA-N
-DF1A4CED3ED3E6E3_14711A1214054882_6003_UN,O(C1(CC1)C2CC2)C3=CC=C([S](C(F)(F)F)(=O)=O)C=C3,XOGPPJBMJDWPGV-UHFFFAOYSA-N
-E08810B29EC788FD_348C285321C05349_6041_UN,C2(=C1COCC1=CC=C2)NCC3=C(C(OC)OC)C=CC=C3,OCZMLAMVGNHTFR-UHFFFAOYSA-N
-E17260A0E8BD4FA3_C118609FBEAA2FE8_6034_UN,CN4CCC1=C(C3=C(N1CC2=NN=CS2)C=CC(=C3)Cl)C4,IOLLZJLPRAPUJB-UHFFFAOYSA-N
-E2CECCB7A7F82630_0A07CF92467B02BD_6029_UN,N(C1=C(C=CC=C1)N2CCOC2=O)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,PQLADSFFZCLQGQ-UHFFFAOYSA-N
-E2D42101E299C7CD_7B07F55394BADCDB_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,VZAVNCQFCWFSAL-UHFFFAOYSA-N
-E33C8E72FAB6536F_9CFA6261BC939969_6034_UN,CN4CCC1=C(C3=C(N1CC2=C([S](C)(=O)=O)C=CC=C2OCC(F)(F)F)C=CC(=C3)Cl)C4,DMWUOPZONLIBJA-UHFFFAOYSA-N
-E3819747D63082F0_31BBB28F176E4792_6041_UN,CN1N=CCC2=C1N=CN=C2NC3=C(N(C)C)C=CC(=C3)F,NJCZIGCDYVXJHP-UHFFFAOYSA-N
-E3C559C3F5310EDF_8AD5695EE503E2C1_2201_DP,CC(C)(C)CC(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)N,FHSRSOQAETUASQ-UHFFFAOYSA-N
-E4570A0EBBFF616F_069702D6D8290302_6039_UN,C[Si](C)(C)C#CC(OCC1=N[NH]C2=C1C=CC=C2)CC3=CC=CC=C3,KYRDVZHGYKOKMW-UHFFFAOYSA-N
-E45F59D8330F2284_91A344BA68E5355C_6034_UN,N[C@H]1CC[C@H](CC1)C3=NC2=C(C=CC=C2)N3CCC[S](=O)(=O)Cl,BWZKKYZBEUQIMK-BETUJISGSA-N
-E58ECBC6369DD630_7B5DF112EFB5E9FE_6028_UN,N(C1(CC1)C2=CC=C(C=C2)C#N)[S](C3=CC=C(C=C3)Cl)(=O)=O,MLAIJCAIAXPHKU-UHFFFAOYSA-N
-E5DFFC6566C03C56_4EC60E0762ED8796_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC4C3=CC=CC(=C3OCC4)CC)C,YIHHWDVCCHLCLQ-UHFFFAOYSA-N
-E6DC05F86718F419_E75185498BD48968_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)C(F)(F)F)(=O)=O,KXDOVKWNUNVYBN-KOMQPUFPSA-N
-E7E8E02313F52FD4_79CAF77CE1CDDBCF_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,WODMQZIACABNQB-UHFFFAOYSA-N
-E80AC57FBA04242D_D3A5E72D3EB93814_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC2=CC=CC(=C2)N3CCN(CC)CC3)F,CWHVSPJIIDBLBS-UHFFFAOYSA-N
-E88E80FE65757F76_68971C09D44CFA49_6029_UN,CC1=CC(=CC=C1)CCN[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,UOLCKSBCXIZBMX-UHFFFAOYSA-N
-E9ED68CF203D77DB_646A25EB245C8D62_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NCC(C)C(C)(C)C,YMHSIYNJOLFWFG-UHFFFAOYSA-N
-EA70830F8DCE2B1A_38414B9E5B81CA79_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC(C)CCC(C)(C)C,RXKIVSBINLLJAH-UHFFFAOYSA-N
-EC02D60448C44212_D016BD859651CD87_6029_UN,CN(CC1CC(F)C1)[S](C2=CC=CC3=C2CC(C)(C)C3)(=O)=O,BLECBFXQMUEHIN-UHFFFAOYSA-N
-EC224BB0F21497D1_8D036187FE50CABF_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC(=C(N(C)C)C=C3)C)F,OOPCBEYPLHNCLD-UHFFFAOYSA-N
-EC6F31E3462841AD_D1945EFDDFBB6EFC_6004_UN,ClCC1=NN=C(O1)C2=CC=C(O2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,HTZREMZPROQIGB-UHFFFAOYSA-N
-ED1D33E4260B2749_F0D59A40320B7664_6041_UN,CC(C)C1=NC(=CC(=N1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)C(C)(C)C,OZMJPTALACDQIH-OAHLLOKOSA-N
-ED30051D346FE744_4A678AE2D20052D2_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCNC3)CC(NC)CC(C)(C)C,QYCNQWUIMIFAEN-UHFFFAOYSA-N
-EE294B2C6C362E0C_F0DAE2D97A9F169F_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=C(C=C2)Cl)Cl)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,RWHGPCCZWLFIRY-XYPYZODXSA-N
-F05F2771D44F925B_6372D434379334D8_6006_UN,CC4=NC1=C(C(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)N4,LRFZAMHIUSXUAV-UHFFFAOYSA-N
-F08798D70FE0915E_6794068D4C46D9E2_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4(C)CNC3=C(C=CC=C3)O4,BANHVLAHBJGZJW-UHFFFAOYSA-N
-F12FA2E20FE70D32_227A6B54180B21F6_6029_UN,FC1=C(C(=CC=C1)F)C2=CCN(CC2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,HEBIRTSUQZXNKS-UHFFFAOYSA-N
-F20474EB29390BE8_BABF3CE71EB65A29_6041_UN,CC2=C1C=CC=CC1=NC(=C2C#N)NCC3=NN=C(N(C)C)[NH]3,TVRRBAZMCRCCDY-UHFFFAOYSA-N
-F234E9D54808F93D_276893E8AB721D62_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NC3C(C)COC4=C3C=CC=C4,GJOBPNNDXUABRX-UHFFFAOYSA-N
-F366860E2210D9F7_6238458150C21633_6035_UN,O(C1(CC1)C2=C(C=CC=C2F)F)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,CJDKNQHCFYXNAW-UHFFFAOYSA-N
-F7E1028F7FB11C91_E329BB28952B758B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC=CC4=NC=N[N]34,QLILGJJQRIDACF-UHFFFAOYSA-N
-F85246978FE70D94_A2DE1765E43B24CA_6029_UN,CC1=CC=C(C=C1)CCN[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,ZWOGWJPVSVHNLC-UHFFFAOYSA-N
-FB55F02DD5375255_05E4E9E6BC50C62A_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NCC4=N[N]5C(=C4)OCCC5,KVDOBWGPQFWHMY-UHFFFAOYSA-N
-FD11BCBBF74C98C0_7417DC7D4231EACD_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C[N]3C4=C(C=C(C)C=C4)C)(=O)=O,PRWRRSHALGPAAO-UHFFFAOYSA-N
-FD638F036CFAD149_7BFC0E16AF1BBF6F_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC4=C(N(C)C)C=CC=C4,RZVBCLINQITZCF-UHFFFAOYSA-N
-FF0EC352014FE922_AEDF631F5FF76C9A_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5=CN=C(N4CCNCC4)N=C5,PUXLMBPJJPMLGC-UHFFFAOYSA-N
-FF442DBD933ABC16_15AFDC645E4E5E8D_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NCC4=N[N]5C(=C4)CCC5,FRMKABFTCNBQTO-UHFFFAOYSA-N
-rxn:2:104532:148822,COc1ccc(C2(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CCCCC2)cc1,FCULJJZULKXCRE-UHFFFAOYSA-N
-rxn:2:105474:137294,CCC(Nc1c(S(C)(=O)=O)cnn1C1CCCC1)c1ccc(N2CCC(F)CC2)cc1,YVROPIRIDHDVDB-UHFFFAOYSA-N
-rxn:2:106293:148296,CSc1ccc([C@@H](NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)C2CCCCC2)cc1,XEMAQUJMZOTMGI-QUHNURHPSA-N
-rxn:2:107114:148296,COc1cc(C2CCN(C)CC2)ccc1NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,DHILRSXJJZXORX-UHFFFAOYSA-N
-rxn:2:108321:148296,CCc1ccc([C@@H](NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)C2CCCCC2)cc1,IBWSPCKHMIPBAW-ZPNHJQCLSA-N
-rxn:2:109591:151416,CCN1CCCC(c2cccc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)C1,QHTSFWXVZJHAMC-UHFFFAOYSA-N
-rxn:2:111757:134492,CCN1CCS(=O)(=O)c2ccc(NC3CCN(C4CCN(c5ccccc5)CC4)CC3)cc2C1,MZVKZSNPITTXKO-UHFFFAOYSA-N
-rxn:2:123912:148296,CCc1ccc(CC2CCCCC2)cc1NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,LYPUZLUKLOSNBC-UHFFFAOYSA-N
-rxn:2:127365:148822,COc1ccc(C2(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CCCCCC2)cc1,RSDFCLNJDXZRSC-UHFFFAOYSA-N
-rxn:2:133911:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(OC)cc2C2CCCCC2)C2CCCC2)cc1,QCVMGYMEVYBYNZ-UHFFFAOYSA-N
-rxn:2:138407:148822,COc1cc(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)cc(C2CCCCC2)c1,OZMDWFFUROMSBP-UHFFFAOYSA-N
-rxn:2:76743:148822,CCOc1ccc(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)cc1C1CCCCC1,PRQHUNGKXYFPMT-UHFFFAOYSA-N
-rxn:2:86261:151416,CCC(NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1)(c1ccccc1)C1CCCC1,NIQLHBBWVDCACK-UHFFFAOYSA-N
-rxn:2:88519:148296,COc1cc(C2CCCN(C)C2)ccc1NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,DTQIDIZRWPQYFX-UHFFFAOYSA-N
-01A4446FA5DBBCF8_3607D900E515D39C_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4CCCN(C3=C(C=CC(=C3)C)F)C4=O,BUUNAESPFGTAQU-UHFFFAOYSA-N
-038D71DEB98017FE_932BDB3DC47AC3C1_6041_UN,C1(=CC=C(S1)C(=O)C2=CC=CO2)NCC3(CC3)C(=O)O,IMYDGEATAWNYCT-UHFFFAOYSA-N
-03E05A5C962C5C34_CDC248FCFF614FD3_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)NC2CN(C)C(CC2)=O)C=CC=C3,WRFGCRUISXZJDR-UHFFFAOYSA-N
-044CECCD731BA758_A86ABB42FF8E92F8_2875_UN,N[C@@H]1CCC[C@@H]1C[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,BGDBSLKWDRRLRA-IUODEOHRSA-N
-04D289B5E9B4BD25_80B97B477D7A8BEF_6041_UN,COC(=O)C1=NC(=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,XMLSRSNTLPQDMO-LBPRGKRZSA-N
-04DACA383E75090C_59508175D28348FF_2875_UN,O[C@@H]1COC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,PVJGDJYBZXXKHI-ZIAGYGMSSA-N
-067BAC45852E8784_3105AF69BAF09DF6_6034_UN,CC1=NN=C(N1CC#C[Si](C)(C)C)C2=C(C=CC=C2)Br,MSOQJODLLIJFGD-UHFFFAOYSA-N
-0688AA87FC38313E_73D275D945D8CB17_6041_UN,CCC1=NC4=C(C(=C1)NC2CCN(C)C3(C2)CC3)C=CC=C4,DLYXEHRVXCTXBI-UHFFFAOYSA-N
-0780099CA93B3F07_006DD80C939BF4E7_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=NC4=C(C=C3)CCC4,MBSHFIIPBPVUBT-UHFFFAOYSA-N
-07DFD87F4E0DE863_D503633E2F8FBFDD_7013_UN,N1=C(CCCC(N(C)C)=O)[N](C2=C1C=C(C=C2)F)C3CC3,FUIKMMIGSWFHQM-UHFFFAOYSA-N
-0950229790756027_13196DE39C3ECEC0_6038_UN,COCC1=C(C=CC(=C1)F)NC(=O)C2=CC=CN3C2=NCC3,NOAAMZCBXBOEKO-UHFFFAOYSA-N
-0B6E7E64CE49B856_BBF26BB3B3326AA1_6038_UN,N(C1=C[NH]N=C1C2=NC=CS2)C(CC3OB(O)C4=C3C=CC=C4)=O,XAUUAOIRZYLOJZ-UHFFFAOYSA-N
-0D05F5895290EFCB_1341BBD6C5F4D5E0_6029_DP,O=[N](=O)C1=C[N](N=C1C2=NC=C(C=C2)F)[S](C4=CN=C(N3CCNCC3)C=N4)(=O)=O,RMZPSAWWFTZGBT-UHFFFAOYSA-N
-0D90FE26773EF492_0820D7FD4CE8C06D_7013_UN,CC[N]2C1=CC=CC=C1N=C2[C@@H]3CCCO[C@H]3C4=NC=C[N]4C,ZXVOALNZVBJBNA-CZUORRHYSA-N
-0E4C9C4917D7CEF5_BBADDFBF889FF380_7005_UN,N3=C(C1CC2(C1)COC(=O)N2)[NH]C4=CC(=CC=C34)C6=NC5=C(C=CC=C5)S6,PCSMXZMZDPWOGO-UHFFFAOYSA-N
-1038A4BAA5E6F222_A0ACD22E5A19E96E_2875_UN,N3=N[N]([C@H]1C[C@](C1)(C#N)C2=CC=CC=C2)C=C3[Si](C)(C)C,SBTUXCOUISZHNG-KOMQPUFPSA-N
-152F0A9DF61DA145_985F93F8575EDE33_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(CC)C=CC(=C3)C,XPIOPRCLMKSQMH-UHFFFAOYSA-N
-1A650D1F969EEAB5_F3D685F0765FCDCE_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3CC(N)CC3,NRFBCYSQCFPYKR-UHFFFAOYSA-N
-1C4FD5725CBA683A_384309372D147800_2875_UN,N2=N[N](CC1CNCC1)C=C2C3=C(C(C)=O)C=CC=C3,CKDWQTFSHSBZER-UHFFFAOYSA-N
-1D40955AEBD7D832_A8E3DDF279E5CF02_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(CC)(F)F)C=C2)(=O)=O,QVZASCXFUOZLOG-UHFFFAOYSA-N
-1F48A54CFCF584EE_78199A1F664AEDF5_6039_UN,COC1COCCC1OCC(OC)CC2=CC=CC=C2,AUDYLRZCACBCRF-UHFFFAOYSA-N
-20B31EEF2C17BDD0_1C72E2DB68D03767_6026_UN,O=[N](=O)C2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N3CCCCC4=C3C=C(Br)S4,SBOXZQAHTUZOFF-UHFFFAOYSA-N
-228DD5D27526AB60_6728442085B5ADD4_6039_UN,CC2(CCOCC1=CC=C([S](Cl)(=O)=O)C=C1)CC2(F)Cl,JBNJQIOKSHGLIW-UHFFFAOYSA-N
-23847627B40C03DA_4AA2A968CA89E3CE_6038_UN,O(C2CN(CC1=CC=C(C=C1)F)C2)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,ZKBWAYGWOUUQRT-UHFFFAOYSA-N
-2BA9ED3788284204_C9144606610D9E9E_6034_UN,CC1NCC(=O)N(C1=O)CC2=CC=C(NC(OC)=O)C=C2,UYIFMYDSPAODLQ-UHFFFAOYSA-N
-2C02D239BB67C124_7DB0BF8D8FDB91A7_6029_UN,N(CC1OC(OC1)=O)[S](C2=C(C=C(F)C=C2)C3CC3)(=O)=O,RVZSNFCREBLHFG-UHFFFAOYSA-N
-2CF4D42E814B6E89_1EBAB3B39D1D0C3D_6041_UN,COC(=O)C1=C(N=CC(=N1)NC3C2=CC=CC(=C2OCC3)C)C,JJASQEUMVDYFHU-UHFFFAOYSA-N
-2D13D2B35BDA2603_783483A544E9490C_6038_UN,CC(C)C(NC(C1(C(N(C)C)=O)CC1)=O)C2=C[NH]N=N2,HBPWGBZIXCGGBR-UHFFFAOYSA-N
-2D5633DC9DF85976_C82202F097ED2167_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NC4=CC=CC(=C4)C(CCC)=O,BXYKVRZRVXILRK-UHFFFAOYSA-N
-2F88F2FA04C6A929_09F6EAD78BF9C48F_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC(C)C3CCOCC3)C,MTAWZBJMPIDVTB-UHFFFAOYSA-N
-2FE17DC858C3F4C7_E17C5422158BC4B8_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C=C(C[S](C)(=O)=O)C=C4)F,BIDVIKLWLKDVML-UHFFFAOYSA-N
-2FE7C1029E8A226B_1DB61B7A5DBEF763_2875_UN,N3=N[N](CC2CC1CC1C2)C=C3C4=C(C(C)=O)C=CC=C4,GMVYFBBESSZMQI-UHFFFAOYSA-N
-3129F210EBFE2A3A_1556C114042B4BC1_6038_UN,N(CC[N]1N=CC(=C1)[N](=O)=O)C(C3[N]2C(=NN=C2C)CC3)=O,IBNCWKPHEFJCCL-UHFFFAOYSA-N
-329D470238791253_F977353385F2A65D_6034_UN,CN4CCC1=C(C3=C(N1CC2=N[N](C)N=C2)C=CC(=C3)Cl)C4,AFGWRHVFDUKEHP-UHFFFAOYSA-N
-32E808A5652E9211_706B0D032F247D2E_6034_UN,CN4CCC1=C(C3=C(N1CC2=NSC(=C2)C)C=CC(=C3)Cl)C4,FHTABMJIRIUTPF-UHFFFAOYSA-N
-333FDCB03BFBAF02_8C8A3AF39B930BEC_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=CN=C(C2CNC2)N=C3)=O,QDVMWISTIBBRGP-UHFFFAOYSA-N
-34AAE819FC4FE33E_81A157F1454A2671_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)N[C@H]4C3=CC=CC(=C3OCC4)C,VITUDGXHBQKFBX-CQSZACIVSA-N
-359C40963AA736CA_9FA7FD32FE4BB632_6035_UN,CCC(OC1=CC=CC(=C1)OC)C3=C2OCCC2=CC(=C3)Cl,JADZFHXRDRKUMY-UHFFFAOYSA-N
-37115B887395FA7D_01B21689AB73E1E2_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=C[N](CC2CNC2)N=N3)=O,RYKTWZQSSFDQMX-UHFFFAOYSA-N
-38C6EB8E1A153491_11C266128B838196_6038_DP,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C(C3=COC(=N3)C4CNC4)=O,FMFXPCHSNPOMPR-UHFFFAOYSA-N
-38EC4AB133A56AB6_4A6478914DC0C887_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=C(C(OC)=O)O3)C,DXDFNICRVAPKJC-UHFFFAOYSA-N
-3A72B4E6CB28F383_908EA085D3616FDD_6034_UN,CN4CCC1=C(C3=C(N1CC2=N[N](C)N=N2)C=CC(=C3)Cl)C4,ZBYNJLYTUIUSIP-UHFFFAOYSA-N
-3A7E52AE75F64D75_423CF9DCBFC9F361_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CCCCC2)C3=NC(=NO3)C4=CSC=C4,RKSQQOLTSWBQIR-UHFFFAOYSA-N
-3B879898AD9FE158_9A12E36DD0AEF3F6_6038_UN,CC3=CN1C(=NCC(C1)OC(CN(C)C2=NC=CC=N2)=O)C=C3,OGGFKIKVSRZCQK-UHFFFAOYSA-N
-3EC9DB2BB635925C_70C053AF0563A5B3_6035_UN,O(C2C[C@H]1OC(=O)O[C@H]1C2)C3=CC=C(C=C3)C4=CSN=N4,SWNPEMSEOCMQCO-VGPLMAKISA-N
-3FE3174C61F042CA_D7AD5D00BF8D0A8F_6038_UN,CC1=N[NH]C=C1NC(C3CN(C2=CC=CC(=C2)C(C)=O)C(C3)=O)=O,ABVGEWADFMOTKJ-UHFFFAOYSA-N
-40539A7D29FCF7C3_9DE569C96FCA511B_6041_UN,CC1=NC4=C(C(=C1)NC2CN(C)C3(C2)CCCC3)C=CC=C4,IMYBQKUQFBJSHT-UHFFFAOYSA-N
-44F3C8E866421F10_15F52032097C196B_6038_UN,N(C1=CC(=CC=C1)C2=NNC(C=C2)=O)C(C3=N[NH]C(=C3)C4(C)CC4)=O,ONXUOKLHXBYTPD-UHFFFAOYSA-N
-454A90B6EE5B899D_6F4BB4EAE2B7B9EB_6029_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=CC(=C3)SC)(=O)=O,PZNBUQUGVHSXQJ-UHFFFAOYSA-N
-45A575A4A9C849CA_687BB99636AD5248_6028_UN,N(CB(O)O)[S](C1=NN=C([N]1CC)C2=C(C=CC=C2)C)(=O)=O,KKUNAWZLQHCKHC-UHFFFAOYSA-N
-475907C2AFD16D3B_C60A4F94DBA3ED8A_7019_UN,C(C1COC1)=CC3=C(C2=C(C=C(C)C=C2)C)C=CC=C3,RUTVHPVWLNVPPG-UHFFFAOYSA-N
-479B3872539F8BCF_8852B370B59346D2_6041_DP,CN(CC1CNC1)C2=NC(=NC=N2)NCC3=CC=C([Si](C)(C)C)C=C3,STHFDLYGPXGTKI-UHFFFAOYSA-N
-4914A790917EC657_7574C0D2E598FA16_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=CC(=C3)Br,RKKCMQFSVBCOGA-UHFFFAOYSA-N
-4B98E38284330C69_961596EA25E94C12_2875_UN,O[C@@H]1COCC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,DXZMVBYEGCASCW-HUUCEWRRSA-N
-4BA753BF87C09E3D_CF03F4B50BA31D40_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=N[N]3C4=CC5=C(C=C4)OCCO5)(=O)=O,FHNUQFSKFDNUKG-UHFFFAOYSA-N
-4CA3A035CE08119D_70061EF210560707_6038_UN,CCCC(NC(CN1C2=C(N(C)CC1)C=C(C=C2)F)=O)C3=NN=N[NH]3,WSDBNTSFZGLGFL-UHFFFAOYSA-N
-4EC534BAC1CF7C41_DC4CCE2407CBE6CC_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=CC(=C(OC)C=C3)OC,TZVODKHRLYNOMK-UHFFFAOYSA-N
-4ED5253DD6016C84_E7654865FCD95BBA_6041_UN,C1(=NC=C(C=C1)C2CC2)NCC3OC4=C(C(C3)=O)C=CC=C4,YJBYMRCAVFELPM-UHFFFAOYSA-N
-4F92A4B966F10362_90B20FE9818575D6_6026_UN,FC1=CC(=CC=C1)[S](=O)(=O)NCCC2=CC(=CC=C2)[S](F)(F)(F)(F)F,LMPRKEZDYVJBKH-UHFFFAOYSA-N
-54FE329678321ED2_006B2A0C25D071E6_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(COC3=C(C=CC=C3)Cl)[N]4C5CC5)(=O)=O,NPBXNUMAIRQTRL-UHFFFAOYSA-N
-554F7FA2605DB30D_EBBEBD28DF9CDF79_6034_UN,C1CC(NC1)C3=NC2=C(C=CC=C2)N3CC4(C)COC(=O)N4,DLQRNYSIKLNBLI-UHFFFAOYSA-N
-55AE38148D727C55_78F89150FC4D8E75_6038_UN,CC(NC(CC1OB(O)C2=C1C=CC=C2)=O)CC3=NN=N[NH]3,QOVQGCYMGHJSPN-UHFFFAOYSA-N
-560836195A9A3808_ABCCF8B6AA5DF5DD_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C(C[S](C)(=O)=O)C=CC=C2)[N]3C4CCCC4,VTCOOVYWFQYVBV-UHFFFAOYSA-N
-567CEE3DBECFB885_17B86C4005832982_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CN=C(C)C=N3)=O,ACYUAXDQLFNEFZ-UHFFFAOYSA-N
-57734435252DF431_638980EDC4334F6E_7013_UN,CC[N]2C1=CC=C(C=C1N=C2C3C(=CCCC3C)C)C,KCSMPPLYCZRULV-UHFFFAOYSA-N
-57D15E08E43BDA17_12D287350C0AA152_6029_UN,CC3=CCC(N[S](C1=C(F)C=CC=C1C2CC2)(=O)=O)CC3,AKMYJDOYWUITCM-UHFFFAOYSA-N
-57EF67A0BEA115ED_BCAB3B753FE9D03D_2875_DP,N1CC[C@@H](O)[C@@H](C1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,ICAWBPJIXLRQKF-HUUCEWRRSA-N
-58D057D4179576A2_F98CF609ED60FAB2_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3NCC2=NN=C(C)[N]2C3)=O,ZVGVZHPRQNDMDU-UHFFFAOYSA-N
-5C2ECD420ECE4425_6E3380CCEA74337F_6038_UN,CN1CCN(CC1)C2=NC(=CC=N2)COC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,JKWOKSRQHFGNIC-UHFFFAOYSA-N
-5CE2AF3B08F68B5E_377B1AD2E4398E70_6041_UN,COC(=O)C1=CN=C(N=C1)NC2C(C3=C(OC2)C=CC=C3)=O,XGMQWFHGAIHDQF-UHFFFAOYSA-N
-5D9F4E16E8291893_544659390F4C038A_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC(=CN=C2)Cl,DPIUOXGHOCUHDS-UHFFFAOYSA-N
-5E792E5047AD25B4_E2F25AFEAF595667_7019_UN,C(CC1CCCC(=O)O1)=CC3=CC2=C(N=C(C)S2)C=C3,HGBJHDVIYVNRNP-UHFFFAOYSA-N
-5ED44D54CBAB4455_613168DC3B2B1ED9_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(F)C=NC=C2F)CC3)N4CCOC4=O,UTUONYIIGMNPMO-UHFFFAOYSA-N
-60C71639C7C3BE1D_84406237D5BA6802_6034_UN,CC1NCCC2=C1N(C3=C2C=CC=C3)CC4=CC(=CO4)C,SFBPEWHUVQRGBL-UHFFFAOYSA-N
-60F921F9F8FECE55_83A7EB0A96D289B3_6038_DP,N1CC(=CC1=O)OC(C2=NC3=C(C2(C)C)C=CC=C3)=O,BTPJBQNNVBCJKW-UHFFFAOYSA-N
-614510656B0BF418_95AC47B9C2E71A2C_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC4=C([S](C)(=O)=O)C=CC=C4,JVOFVVBDSSJWPY-UHFFFAOYSA-N
-63976EF1630FE9C7_47805D222371EEEB_6029_UN,CC1=CCN(CC1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,AJEPURMOZBSMES-UHFFFAOYSA-N
-63EAA63B35D8129E_14FCC8CA16AFE623_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)N[C@@H]4C3=CC=CC(=C3OCC4)C,VITUDGXHBQKFBX-AWEZNQCLSA-N
-652BD8DADE23FE6C_B1CD9AF03F741D3A_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C3=NN=N[N]3C4CC4)(=O)=O,VGLUISFHIOWTLW-UHFFFAOYSA-N
-688A49CB05A95802_1AEE13F3D03791EF_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=CC=CC=C3)(=O)=O,IZZTWKOWRKOYMG-UHFFFAOYSA-N
-68F848D18F580BD7_5C51CA5DBEDBCF7B_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=NC(=C2)Br,HKAGIFKARKXODZ-UHFFFAOYSA-N
-6A29DD30CC2E68E4_408115F973F234A4_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5CNCC4=NC=C[N]4C5,ISLDREFMRFMUIX-UHFFFAOYSA-N
-6D266B94D41752DD_33BCEA3F66816F66_6028_UN,N(CB(O)O)[S](C1=NN=C([N]1CC)C2=C(OC=C2)C)(=O)=O,UMBBVWCVWOFXKK-UHFFFAOYSA-N
-6DA0F23A0758021D_CBE543761B8EBDD3_6041_UN,COC1=CC(=C(N=C1)C)N[C@H]3C2=CC=CC(=C2OCC3)C,HLRLYDKXDXYDQQ-OAHLLOKOSA-N
-6FB22FE6EC32E869_39B46F0DD1F46ABA_6029_UN,N(CC1OC(CC1)=O)[S](C2=C(F)C=CC(=C2)C#C)(=O)=O,ZBGYDCICHKAEOP-UHFFFAOYSA-N
-72E96635D134471F_50E209ECA8378E56_6041_UN,FC1=C(C=C(C=C1)NC2=C(C=C3C(=C2)CCC3)[S](=O)(=O)O)C=C,VDFGEOOSGSNOTR-UHFFFAOYSA-N
-774C3EE16CD0D33B_3ECC01E1F222F523_6029_UN,CC1=C(C=CC=C1)C4(N[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)CCCCC4,CDUHNKMWSUGXAD-UHFFFAOYSA-N
-77D2241EA3BF7076_A87F361BFD4861BD_6034_UN,BrC1=CC=C(C=C1)N2N=CN(C2=O)CC#C[Si](C)(C)C,SQYAWAMNZKMDLH-UHFFFAOYSA-N
-7821F09175B67619_EF90740C7970D33E_6026_UN,CC1=CC(=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3,DOKPWMRWUDFYFV-UHFFFAOYSA-N
-7B95DE74B223104C_21CE28439D775C94_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=NC=CS2)C=C3,HGPRTHBKMIDHIK-UHFFFAOYSA-N
-7C9F2902F014CD4D_D787B57E45F5CDAE_2875_UN,N2=N[N](CC1CCC(=O)O1)C=C2C3=CC=C(C(O)=O)C=C3,HHQIBUFIHIIFQK-UHFFFAOYSA-N
-7CBA49AC3FA62743_E67526C66A046902_6038_UN,N(C1CCCOC2=C1C=CC=C2)C(=O)C3=CN=C(C=C3)C4=NN=N[NH]4,HSBCUULPJOFMNO-UHFFFAOYSA-N
-7CC226D66AF46E7F_97091C571559C5E1_2875_UN,N3=N[N]([C@H]1C[C@@](C1)(C#N)C2=CC=CC=C2)C=C3[Si](C)(C)C,SBTUXCOUISZHNG-FZNQNYSPSA-N
-7D3FD09B3B411ED7_FB82894C1F0A3F36_6041_UN,C1(=CC(=CC=C1)C2=NNC(=O)N2)N[C@@H]3[C@H](OC)COC3,UVNPWAYENMMCQQ-WDEREUQCSA-N
-7EF5328351A4AA05_03F91AF4D94F54AA_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3CC(N)C3,USFXCQLSKDJPKY-UHFFFAOYSA-N
-82369D07C95DF8D2_77C35339685F6564_6038_UN,N(CCS[S](=O)(=O)O)C(C2=C(C1=CC=N[N]1C)[NH]N=C2)=O,WLVXAXODADTYBU-UHFFFAOYSA-N
-842F34E9D9C26A9A_1288B9A2D56CD31A_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,MHVJVXBUGOHOPJ-INIZCTEOSA-N
-845F1B7B6FB38DA8_15863931C23FA1D0_6035_UN,O(CC[N]2C=C(CC1NC(=O)NC1=O)N=N2)C3=C[N](=CC=C3)=O,VNJPRNLAIMRKTB-UHFFFAOYSA-N
-85B718B7F84B1306_CE44BD1DC4A9E3BF_7017_UN,N4([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)C5(C3=C(Br)C=CC=C3)CCCCC45,DKERJYNYBWUFRN-UHFFFAOYSA-N
-8808ECA5AD936810_7BA50CF57F847B1B_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@@H]2C3=C(OCC2)C=CC=C3,IMCFBYMTIWNJHS-NSHDSACASA-N
-885C4E72826322DF_A7F7881667C29575_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3CC2=C(OC)C=CC=C2C3,HTVUKVKBXKDHDL-LWKPJOBUSA-N
-88625258F36616D4_60CA8E0672B8A1A7_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=CC(=C(OC)C=C3)OC,DPGWWRXDOFDNEW-UHFFFAOYSA-N
-88DAADFFF934A8F9_5A0B183D6BB436B1_2875_UN,CN3CCN(CC[N]1N=NC(=C1)C(C2=CC=C(C)C=C2)=O)CC3,NUUNPKLILFJAFQ-UHFFFAOYSA-N
-8AB2479C5D48B6C1_0793F0E987FE16EF_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2CCN(CC2)C3=N[NH]C=N3)[NH]4,VGMQJYSQZAKCRH-UHFFFAOYSA-N
-8BAE37940F4A53A0_BC478FDE2C88D9EE_6034_UN,CN4CCC1=C(C3=C(N1CC2=C(N=N[N]2CC)C)C=CC(=C3)Cl)C4,XXRPPQVOYKQRHO-UHFFFAOYSA-N
-9000BDD6D4E0BAEB_51FA8C9064383249_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)CCC3CCCN3C,SPNWNQGDOVXGDT-UHFFFAOYSA-N
-91D7A6F359BFBA88_C89A6B342249809C_6004_UN,C1(=CC2=C(C=C1)CSCC2=O)C3=C(C(C)(C)C)C=CC=C3,JGMGHZYJILTIEZ-UHFFFAOYSA-N
-920A6E3E7ED53142_AAF2A4BD92A6E0EB_6038_UN,N(C1CCCOC2=C1C=CC=C2)C(=O)CCC3=C[NH]N=N3,ILNGWHDTXFCCNS-UHFFFAOYSA-N
-927B1A8B8FADEE9D_DDD1F17A1A3E9BE8_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3(F)CNC3,AQKZFDCYUDCXST-UHFFFAOYSA-N
-93475C592D71200B_1B2052D1F068CB1C_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=CC(=C(OC)C=C3)Br,SWWGOWRUAJEKSE-UHFFFAOYSA-N
-93F39DC14EAAFE5D_7B40FBBCAD616610_6041_UN,FC1=CC=C(C=C1)[N]2N=CC3=C2N=CN=C3NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,BFYQOVDMABYIIT-UHFFFAOYSA-N
-94D2FE93BBE4EA4A_C9D2E1B1BBF2CAAC_6041_UN,OC(=O)C1=CC(=NC(=C1)NC3=CC2=N[N](CC)C=C2C=C3)N4CCOCC4,FTFHCMHVNRYXAW-UHFFFAOYSA-N
-94D35EFBD4100247_F82B10E620DA3AF4_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(OC)=O)C=C,JSGYTYHMVJSSMH-UHFFFAOYSA-N
-94E7F98CE1A1CBBC_A9AEC1601EB8F60B_2875_DP,N3CCOC(C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,PILRZIOKKYWQKH-UHFFFAOYSA-N
-9565CC3F26651196_8A326DB9BF168437_6041_UN,CCOC(=O)C1=CN=C([NH]1)NC3C2=CC=CC(=C2OCC3)C,HCRTZUMWXWXCFN-UHFFFAOYSA-N
-95754DE0C47A07EF_7F556F3173BC4E30_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC4(C3=CC(=C(C(OC)=O)C=C3)C)CC4,PNDOVQGTKMSCAY-UHFFFAOYSA-N
-967A7F6A9DABB225_930DBD37EFACD862_6006_DP,CN(C1CCNC1)C2=NC(=NC=N2)C3=CC=C([Si](C)(C)C)C=C3,HYQFJWXPKHWKJL-UHFFFAOYSA-N
-96FB0040FD67A13B_5F7ACB5F6CE9177B_2875_UN,N2=N[N](CC1CC=CC1)C=C2C3=CC=C(C(O)=O)C=C3,SSLWBIQPSNHQAP-UHFFFAOYSA-N
-98FBAEE4458A4254_6203FBDF6268FDC9_6029_UN,OC(=O)C4=NOC1(CN(C1)[S](C3=C[N]2C(=C(Cl)C=N2)N=C3)(=O)=O)C4,PUKLWCAQVSPZLT-UHFFFAOYSA-N
-9954B75B53054FA6_ABE68AFDE53DAC97_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NC2C3=C(OCCC2)C=C(C=C3)F,MOWSUVBDZPBJNX-UHFFFAOYSA-N
-9BE5AC243A09D465_8B8261A4000C2F82_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NCC3=CN=C(N(C)C)[N]3C,YBVVARRAZCWRNH-UHFFFAOYSA-N
-9D4A758214892F7B_E18FCD3F9403E0E1_6034_UN,C(NC2=C1N(C=NC1=NC=N2)CC3(C(OC)=O)CC=CC3)C4=CC=CO4,PAKLAFZKIAIUSS-UHFFFAOYSA-N
-9DC0E929BDA1D2AE_CE444C4B4830CB94_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(N=C5)C6CC6)(=O)=O,NUMMFNMYZQVTLY-UHFFFAOYSA-N
-9E0D8B9CFC6FCCB8_8A7E7B4C14CCE1F1_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)NC2=CC(=O)CC2)C=CC=C3,MKZALUJKIMYJPQ-UHFFFAOYSA-N
-9E830288462405D3_3C8A460C58BB93A9_6041_UN,COC(=O)C1=C(N=CC(=N1)NC2CSC3=C2C=CC=C3)C,MLBFXROJMHYZJF-UHFFFAOYSA-N
-9EB18BD89C0F7B67_81AE9086A8035D40_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)CCC3CCCN3C,IHELMXGFCFSCBL-UHFFFAOYSA-N
-A07FEA553E5DCF64_095661A0916E056F_6031_UN,COCC(ON)C(=O)OCC2=NC1=C(N=C(C=C1)Cl)[NH]2,JBYJLFVTAAVVCO-UHFFFAOYSA-N
-A1EAC13BFFBF964C_C79D2221D6F4C41F_6038_DP,N(C1C2=C(OCC1)N=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,QHDISBKHPRKXAU-UHFFFAOYSA-N
-A260E807B70B1118_BE3DF26F9A5FC370_2875_UN,N2=N[N](CC1CCOC1)C=C2C3=C(C(C)=O)C=CC=C3,QKAIHTAJKVUSAQ-UHFFFAOYSA-N
-A2B1A123D1F6C493_CBBAB863AA182A7C_6041_UN,CN1N=CCC2=C1N=CN=C2NC3COC4=C3C=C(C)C=C4,CVEYKINMHMBAGT-UHFFFAOYSA-N
-A2EEB847276A6A75_0F39E9757F10FE2A_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CN(C)C4(C3)CCOCC4,YDPHOMOTAQYEMP-UHFFFAOYSA-N
-A626928D5A512F65_98C21DDEA7698D14_2875_UN,CC1(NCC(CC1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3)C,PEHALMUPJOBCIZ-UHFFFAOYSA-N
-A8D5A3F715CC7744_7D4FFA5FBF0D0F10_6041_UN,CCC1=N[NH]C(=N1)N[C@H]3[C@H](C2=CC=C(N(C)C)C=C2)C3,UBCVVOFCRUJDFI-QWHCGFSZSA-N
-A8EF4BDAAA9AD6A7_50AB5C16F5F39E76_2875_DP,N1CCC[C@H]1C[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,WJRHFRWQMHPNEU-LBPRGKRZSA-N
-A93F273B84A8084A_5173774898506DCD_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3CCC(SC)CC3,RBQKWEJBEDUKBD-UHFFFAOYSA-N
-ACA4F4E7A8065086_6AE21265090AE29C_6006_UN,C2(=C1C(COC1=CC=C2)=O)C3=C(C=CC(=C3)C(C)C)O,UVOXCLWJOLORIT-UHFFFAOYSA-N
-AF5A17913E64C000_EFF5F420C655DC41_6041_UN,COC(=O)C1=C(N=CC(=N1)N[C@@H]2C3=C(OCC2)C=CC=C3)C,PVKQRLHBWOCEDF-LBPRGKRZSA-N
-B11FD4397D03F48C_0F7714346600AE23_6029_UN,OC1(CCN(CCC1)[S](C2=CC=CC(=C2)P(Cl)Cl)(=O)=O)C3=CC=CC=C3,XVTXKTLNZUIQMA-UHFFFAOYSA-N
-B644D84171028D74_B1671F7F67F1713D_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3C(=CCCC3C)C)C,TXDYZPXNVHBEND-UHFFFAOYSA-N
-B9E05877BD414BFC_47CBE078CD9FDA6B_6028_UN,N(CB(O)O)[S](C1=NN=C([N]1CC(C)=C)C2=CC=NC=C2)(=O)=O,LSYKRAXHRJYBSP-UHFFFAOYSA-N
-BBF2DF4F7CF5B6ED_5DBE4F1B8594B0DA_6035_UN,O(CC1=NC(=NO1)C2=CC=CO2)C3=C(N)C=C(C=C3)[S](=O)(=O)O,MNTXLELSCKVBPK-UHFFFAOYSA-N
-BF8D316EFE55E992_9A2ED29580EEA7AB_6029_UN,N(C1CC(N(C1)O)=O)[S](C2=CN=C3N=C(Cl)C=C[N]23)(=O)=O,JVXLDASZFKNFHD-UHFFFAOYSA-N
-C022BC7539703AE1_AE9898D7118E9240_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC5=C(C(OC)=O)C=C4OCOC4=C5,MOCSXLIIIVXCFS-UHFFFAOYSA-N
-C14EB6ED59632DC4_D25AAB5FF34D94E1_6041_UN,OC(=O)CC1=CC4=C(C(=C1)NC2C3=C(OCC2)N=CC=C3)OCCO4,SWBZFEWXPVTYQE-UHFFFAOYSA-N
-C1B080DBC0BED82A_AACEFEEDE2768115_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C2=CC(=C(C=C2)F)C#N,VINZTCPCSOUEJR-JTQLQIEISA-N
-C230892B87B1D37C_3BF7BDFA67DBB2AF_6029_UN,FC1=CC2=C(C=C1)OCCN(C2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,OWAISMTYQIOIES-UHFFFAOYSA-N
-C2B3B6471A4591F8_32DD20592433226F_6041_UN,CC1=NC(=N[N]1C)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,RMBLINWEAUGWPQ-UHFFFAOYSA-N
-C3EB7266AE9EE3F5_62E658825E60F263_2875_UN,OC1(CCNCC1)C[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,FZRTXUPJCFGOST-UHFFFAOYSA-N
-C5C8C3A20A0BC56A_C204C7F7D05F7D7E_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=CC=C(C=C3)Cl,GBFLPEVNXFNYHK-MQMHXKEQSA-N
-C5F9AEF1EB302448_95E14BCD67033198_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,ATLAXWQDOBRNIC-UHFFFAOYSA-N
-C6C016A1332E9018_10B0C8C8E0B77675_2875_UN,CC1CCCC(C1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,UVOUMRWRWDYYJZ-UHFFFAOYSA-N
-C725F2AF566581FE_E7679C928ABCE2CB_2875_UN,N[S](=O)(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3=CC=C(CO)C=C3,QSVFBHYLSMFTJJ-UHFFFAOYSA-N
-C857A5611721BF0B_82A59C0531EDF08E_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2(CCCCC2)C3=NC(=NO3)C4=CSC=C4,OIJUWPJXGZXKEU-UHFFFAOYSA-N
-CB4FF47607FECBD7_1AA692A0ABABCF68_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)[NH]5,URWYMCKYEYTQCE-UHFFFAOYSA-N
-CC11F499E250C096_42916ED36D068F00_2875_UN,OC1(CCNCC1)C[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,OYNNMMSHBYJAQQ-UHFFFAOYSA-N
-CCBF1F24595D7EAD_BED8C75F583C56CE_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)NC2CC(N(C)CC2)=O)C=CC=C3,DBXZFMCHPYOGKL-UHFFFAOYSA-N
-CCD167E2FF8D7469_D1A62EC130A1FCEE_6041_UN,O=[N](=O)C1=NN=C([NH]1)NC2CC(C)(C)OC3=C2C=CC=C3,IHJLWXAZHZHBFX-UHFFFAOYSA-N
-CCDF46D262980B51_37736BE3F07943E0_6038_UN,CC2(CCOC(CCC1=CN=C(N(C)C)C=C1)=O)N=N2,SAJUPBWTCZSEQT-UHFFFAOYSA-N
-CDF1A2F3BC0727A4_207035A918262491_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,MQBJYMWBJVTAKE-UHFFFAOYSA-N
-D1697E945CD1BC0C_573FFC85D69B422E_7013_UN,N1=C(CCC(N(C)C)=O)[N](C2=C1C=C(C=C2)Cl)C3CC3,YPSFQWWDRAWBPM-UHFFFAOYSA-N
-D373DB65F302CCF4_C75E8D59E6EFFFB1_2875_DP,N1CCCC(C1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,YSAAAGSTJZYTFI-UHFFFAOYSA-N
-D493A23AEB0A0109_AC6C18126B7652B4_6039_UN,O(CC1=CC(=C(C=C1)F)C2=C(C(=CC=C2)F)F)CC[S](O)(=O)=O,QNJSQHWPZFMQPJ-UHFFFAOYSA-N
-D56D51265F4B3B4C_B3E3F0878E73783D_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C3=CC=C([C@@H]2C[C@H]2[S](Cl)(=O)=O)C=C3)(=O)=O,TXXIBGZZRNMANC-DLBZAZTESA-N
-D5DF2C8134617959_86FFF80599FBBC24_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC(C3=C(SC)C=CC=C3)C,LPNJYADSMACQHD-UHFFFAOYSA-N
-D69872BCADD0B915_0F41346246105479_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC4C3=CC=CC(=C3OCC4)C,VITUDGXHBQKFBX-UHFFFAOYSA-N
-D6FF8C216285225B_A231D7BAA2BDD696_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3C(C)COC3=O)C,QVJDQTRZXJCCMO-UHFFFAOYSA-N
-D91262C3554B3992_D4476302F23D83A0_6041_UN,C1(=NC=NC(=C1)C2CCC2)NCC3OC4=C(C(C3)=O)C=CC=C4,PXOSVZOEHLZPTH-UHFFFAOYSA-N
-DB705ECBA7E6826C_B6B93664CD0643EB_6004_UN,C[N]1C=C(C2=C1C=C(C=C2)[S](=O)(=O)Cl)C3=C(C=CC=C3)OCCC=C,MARSDUNNKFTBBR-UHFFFAOYSA-N
-DD7F87B13861960D_A011CD5D541109F1_6041_UN,COC1=NC(=NC=C1)NC2C3=C([S](CC2)(=O)=O)C=CC(=C3)F,MFQSWCBHIGUWOO-UHFFFAOYSA-N
-DF67662A2CD92436_BBA94D71E7121933_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)[C@@H]3CC[C@@H](N)CC3,DFLYVAKZINKVSU-KOMQPUFPSA-N
-E1F57E9DB75D726E_E923DEEA7DDFA942_6034_UN,CN5CCC1=C(C4=C(N1CC2=NN=C([N]2C)C3=CC=CS3)C=CC(=C4)Cl)C5,WQLIRROAQRLUAF-UHFFFAOYSA-N
-E208572C9D286FDB_B4F86EA38ECF4020_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NC(CC)C3=N[N](C=C3)C,CMAPKUHNOZIJAD-UHFFFAOYSA-N
-E546E43321D9F916_F1D5AE3D75C82B42_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)NCC2CN(C)C(C2)=O)C=CC=C3,MXTAGRPJZBCUDL-UHFFFAOYSA-N
-E62309D7B7126122_F18520F9A644B11B_6041_UN,CC1=C(N=C(N=C1)C)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,XKAXEERALCLOQA-UHFFFAOYSA-N
-E630C39A48E55B3E_00F82CF1ADCF865A_6038_UN,CC3=C(OC(=O)C1=CN=C(S1)C2=CSC=C2)COC3=O,XCZSQVFMWIQQGV-UHFFFAOYSA-N
-E6A21C3AF651D74B_B9803F43B84DEEDA_6028_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,GCWFPXGBONIKAQ-UHFFFAOYSA-N
-E759FE01B8F81D8C_D30D40179B3850B4_6038_UN,N(C1CCCN(C1=O)C2=CN=CC=C2)C(C3=CN=C(N(C)C)C=N3)=O,DVHPKDJATVBYBE-UHFFFAOYSA-N
-E8462B5FBE937C7F_5B6319ADBF56E78E_6006_DP,CN(C1CCNCC1)C2=NC(=NC=C2)C3=CC=C([Si](C)(C)C)C=C3,AKEGMYNVSYWWHR-UHFFFAOYSA-N
-E84D987316648CA8_50E0C47032F5E8C2_6038_UN,CN4CC(NC(C2=C(N(C)C1=NN=N[N]1C2)C)=O)C3=C(C=CC=C3)C4,DGDVYFUBVMJDHY-UHFFFAOYSA-N
-E95C2E04CB091B7B_0E72ABBDA7D31669_6038_UN,CCCC(NC(=O)CSC1=[N](C=CC=C1)=O)C2=NN=N[NH]2,RGTHXSSCZVNQCR-UHFFFAOYSA-N
-E9D3E82FC2D68FA2_0BA659747C1EF938_7013_UN,N1=C(CCC(N(C)C)=O)[N](C2=C1C=C(C=C2)F)C3CC3,DNSUPKVUZUFODN-UHFFFAOYSA-N
-EAEC3808014765B9_A4692E403CB32539_6029_UN,FC(=C1CCN(CC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O)F,YQWDAKFEMFQRFH-UHFFFAOYSA-N
-EB88D470F76CE07E_940A7C0B3AFB0018_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=CC(=C(OC)C=C3)OC,ABQWWBPOZIDUMS-UHFFFAOYSA-N
-EBC43E6B7F38D224_28B9A12C4115EE64_2875_UN,N2=N[N](CC1CCCC=CCC1)C=C2C3=C(C(C)=O)C=CC=C3,MBLACJZMGDGYMS-UHFFFAOYSA-N
-EBFB1C96BB9B7397_88D83E1997BF6664_6034_UN,CN4CCC1=C(C3=C(N1CC2=C[N](C)N=N2)C=CC(=C3)Cl)C4,KUQMLCJJYDXMRW-UHFFFAOYSA-N
-EDE2DF1620261848_1980ECE7E1BCF506_6038_UN,O(CC[N]1C=NC(=N1)[N](=O)=O)C(C2=CC(=NC=C2)N3CCN(C)CC3)=O,TUWTXVYHBAMWPH-UHFFFAOYSA-N
-EE23A1AA4D555DC6_7EE9DBA3B72D0EFB_6031_UN,CC2=C(CC(N)C(=O)OCC[N]1C=C(C=N1)[N](=O)=O)C=N[N]2C,VLXZKPGWIGDLBJ-UHFFFAOYSA-N
-EEF634D9778D5A42_891F3EEAADC55A6C_6026_UN,[S](=O)(=O)(C1=CN=C2SC=C[N]12)NC3CCCN(O)C3=O,YZXSPHKVIGTEQU-UHFFFAOYSA-N
-F0290B09A6F2957E_54B739B3431898AA_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,LWXRHBFFGVNATO-UHFFFAOYSA-N
-F2AD960D6896F42C_143C6DD5484E8632_6034_UN,CN4CCC1=C(C3=C(N1C2OC(C=C2C)=O)C=CC(=C3)Cl)C4,YOZSEOBJYGZAEI-UHFFFAOYSA-N
-F40675211ECFF08E_8F8CC53D39B034ED_6039_UN,CC2(CCOCC1=CC=C([S](F)(=O)=O)C=C1)CC2(F)Cl,DHTUZHOJQALKEU-UHFFFAOYSA-N
-F4516B60EE6217EC_45B797180D4FF9DB_6041_UN,C1(=NC=NC(=C1)OC2CCOCC2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,HQFSKXWSZAXSRR-UHFFFAOYSA-N
-F7760451E97DDC3A_1023C2B43A04313D_6029_UN,CN1CCCN(CC1)C2=C(C=C(C=C2)F)CN[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,SUKKYNDISRBQTK-UHFFFAOYSA-N
-F95892044957C9D6_91A854572320F9BA_6041_UN,CN(C)C1=NC(=NS1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,DOQMVUXXIOUCRC-LBPRGKRZSA-N
-FAD1C13236C7BB88_51BC00CC18C0004A_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=CC(=C(OC)C=C3)I,UOFYAZCCGAKDGK-UHFFFAOYSA-N
-FB652C6306F6F992_60F3946AC332060C_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(=O)C4CCOC(=O)CC4,ZNDVIQQWKAIMFZ-UHFFFAOYSA-N
-FC039A0125E22936_BA8757CBC44C934D_2875_UN,OC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)CCNC(C)=O,KHVPSQZYCLAHJC-UHFFFAOYSA-N
-FD086776A0673B3C_5EEC2CA3F82ADCA1_6035_UN,O(C1CN(C1)C2=NC(=CC=C2)Cl)C3=C(N)C=C(C=C3)[S](=O)(=O)O,ZHEXGQWFSPJZLD-UHFFFAOYSA-N
-FE16910E27DE2E97_8BA5806A9C39F7AB_6006_UN,C1(=C(C=C(C=C1)[S](=O)(=O)Cl)C#N)C2=CC3=C(C=C2)CCC3,SVYZMEZTQZZMOT-UHFFFAOYSA-N
-FE28AE4A98200626_88AF5A92537A0CC3_6035_UN,CC2(OC1=CC=C([S](C)(=O)=O)C=C1)CCC(F)(F)CC2,KLTRLWWNJAUGCL-UHFFFAOYSA-N
-FE28AE4A98200626_CF29B1C689C0222F_6003_UN,CC2(OC1=CC=C([S](C)(=O)=O)C=C1)CCC(F)(F)CC2,KLTRLWWNJAUGCL-UHFFFAOYSA-N
-FE8A93FCCDC41CC1_52C0C4AA4F4FD829_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC(=CN=C2)Br,SVFLKPBGYOLACP-UHFFFAOYSA-N
-FEAB52C0EB59F8B0_92DF98B2F920F061_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,OVOJBLUBQPGHIX-UHFFFAOYSA-N
-FF5BD3761B68E49A_D856358E53A93527_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)N[C@@H]4[C@H](C(OC)=O)CC=CC4,WIRQLKFIINJDRP-CABCVRRESA-N
-FFD678454A8A9730_9393EE8DF0C23D06_6028_UN,C1C(CN1[S](C2=NN=C(C(C)N(C)C)[N]2C3=CC=C(C=C3)Cl)(=O)=O)C4=NOCC4,MNGWDJAGSVTCGT-UHFFFAOYSA-N
-0006A2CCF633CEEE_179086AC774AC45C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(=CC2=CC=CC(=C2)OC)C#N)=O,MMFDMHHRYOMQEA-ZDUSSCGKSA-N
-004185DDFF57BCED_995D2B81209C1A5D_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CCC(OC)=O)C=C2)=O,XIOJBHRVBVZUDJ-LBPRGKRZSA-N
-030083A6A4C735B8_10378D292CEF4671_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=C(C(C)O)C=CC=C3)(=O)=O,QOFWTATYNHAPAP-UHFFFAOYSA-N
-031710178FF7E0F0_C9875EF43208E6FF_6041_UN,O=[N](=O)C1=C(N=CC(=C1)NC(CC)C2CC2(C)C)C#N,RYRKTAZRCJPVSG-UHFFFAOYSA-N
-06C067B7A9845433_E5D80C817617CAE0_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,HZKHCYCKCCNSRW-UHFFFAOYSA-N
-0954C8EF46B09017_6F3BE219B13F8872_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC([C@H]3CC3(C)C)=O,QEYMQELUWZMDIE-CYBMUJFWSA-N
-0A9F626D90D53592_3D06244A0FA334A4_6038_UN,CN2CCN(CC1=CC=C(C=C1)CNC(C(CCC)CCC)=O)C2=O,DYOCPRZADMOVHX-UHFFFAOYSA-N
-0AA46347713609A4_C8D74A9484CF3A83_6038_UN,CN1CCN(CC1)C(=O)C(NC(C(CC(C)=O)(C)C)=O)CC2=CC=CC=C2,NSSMCFMLFIOEKR-UHFFFAOYSA-N
-0AC90905246DB454_C9EBC3541F55E50B_6035_UN,CN(C)C2=CC(=C(OC1=C(C=C([S](C)(=O)=O)C=C1[N](=O)=O)[N](=O)=O)N=N)C=CN2,IOVBKUPZQWHBPU-UHFFFAOYSA-N
-0B0595C170FA11F4_C298499AEEE1C305_6038_UN,CC2OC(=C(OC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O)C2=O)C,XQSWHPRVUSTGBM-UHFFFAOYSA-N
-0EBF624C3869F8C1_1D20B13DA13076C7_6029_DP,O=[S]1(C4=C(CN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C=CC=C4)=O,LEVBEKZJNPZCLW-UHFFFAOYSA-N
-104AD640523BE730_9FC705400DCCF663_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC3(CCNC3)C)=O,OQRYTTFNGDTCJR-UHFFFAOYSA-N
-144A129642B39E0B_E77DB6A036DF76ED_6035_UN,O(C2(CC1=CC=C(C=C1)F)CC2)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,TYIARDZKSZOROA-UHFFFAOYSA-N
-14509EA463298BBE_DDE8FAB3594A3405_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=C(C=C4)Cl)[S](=O)(=O)F,CEFZFFGUUKERED-UHFFFAOYSA-N
-15C5A65E47E70575_089AA7C5480503B6_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(C(OC)=O)C=CC=C2CC(=C)C,UQJBEHAOAQYUBE-UHFFFAOYSA-N
-1603076294D0E50C_889220D89953093A_6038_UN,CCOC(=O)C(NC(C1=CC=C(C(OC)=O)[NH]1)=O)CCC(C)(C)C,GOZWMURMLPVLLR-UHFFFAOYSA-N
-1740CB76BB8450F2_B8DEA6C2E2F8538A_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[N](C)C=C3Cl,RSXUUOFACKVRDX-UHFFFAOYSA-N
-17743C850596534B_5EBB6F4DF45BB188_6038_DP,O(C1=CC(=CC=C1)C2=CN=C(C=C2)F)C(C3=CCNCCC3)=O,LPXUIJWVOMNLEF-UHFFFAOYSA-N
-1798301EE8AD54EF_12FC53AAE6BDD259_6038_DP,CCOC(=O)C(NC([C@H](C(C)C)N(C)C)=O)CC1CNC1,XOBQFBKSPPINAM-ABLWVSNPSA-N
-1B1ACD82E9C649E4_DFE23DD7A7BD6FEB_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC(=C2)Cl)I)(=O)=O,LJGPSMCXGQPPIZ-UHFFFAOYSA-N
-1B4DF5EEBA83FB54_CFD4D2C779BF958F_6041_UN,C1(=CN=C(C#N)[NH]1)N[C@@]2(CC(C)C)[C@@H](C2)C3=CC=CC=C3,SLUCBAWPKLNYRJ-WMLDXEAASA-N
-1D10B8ED9A428981_30271796C641C46C_6034_UN,C=C1CCC(=O)N(C1=O)CC(NC2=CC=C(OCC)C=C2)=O,QSWCVDLQGIYJPM-UHFFFAOYSA-N
-1D244E22D72D0E46_010920ABC4D03EBB_6038_UN,N(C1C(NC(CC1)=O)=O)C(C(CC2=CC=C(OC)C=C2)=O)=O,YXJDTJFUMJYRSA-UHFFFAOYSA-N
-1F87B5A1F8A70E8A_FACC58370733E590_7013_UN,N2=C(C1=CC=CC(=N1)C#C[Si](C)(C)C)[N]4C3=C2C=CC=C3CC4,QVSIAJIFSRKVHE-UHFFFAOYSA-N
-1FD8F86D3AEC1FEE_6AE4A9CE2C3203B5_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3CC(C)(C)CC(C3)(C)C)=O,LRHLIFZBZVLWBU-UHFFFAOYSA-N
-2087551EBE79A9D1_E3C26AB89F61241D_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NCC2C(CCC2)C3=CC=CC=C3,HJHKJCRNBCBAER-UHFFFAOYSA-N
-2791BA9014C72F32_CBC3EE6245133F96_6039_UN,CC3(CCOCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)CC3(F)Cl,CQWCNTZUWDECSQ-UHFFFAOYSA-N
-28D61B2B5BDBFC90_CF1ABC10E473E4DA_6041_UN,CCOC1=C(C=CC(=N1)NC(C)=C(C#N)C(=O)O)C(=O)O,HLLCVHQHBBLEJS-UHFFFAOYSA-N
-2A6C1FBEC4DE4A10_C644EF337357F482_6038_UN,CC1=C(C=CC=C1NC(CCCC[N+](C)(C)C)=O)N2C(=O)CCC2=O,XCVFWNFXAFKZDX-UHFFFAOYSA-O
-2AB81CF066217AF5_8971480DE62CFB29_6038_UN,CC[N]2C=C1C=CC(=CC1=N2)NC(C3=C(N=C(C)C=C3)C4CC4)=O,ATWMDUUNYLTBPC-UHFFFAOYSA-N
-2B6C492906F13255_2EFBD86C2BC51242_6029_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=C(C)C=CC=C3F)(=O)=O,HPPQFGBTBYMQGU-GASCZTMLSA-N
-2C8A11A3C8F5E68B_EED7E77917C8F23A_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC3(C(OC)=O)CC3)=O,KLGZFUNPDCCMPU-UHFFFAOYSA-N
-2DA968B8E7E0B89F_66658909CFE6D428_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C=N[N]3C)Br,AGUNUWWCDKFBNV-UHFFFAOYSA-N
-2E65153EAA19BE02_1E693BF10217D6C1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(CC)=C,NLNFDMKGWQJCLL-UHFFFAOYSA-N
-32875A3593630718_5DF943B8B953BBC3_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC=CC5=C4[NH]N=C5C)=O,JIYQABHLHYZWMV-UHFFFAOYSA-N
-33C9803E50FC95A0_7292FF84C8D670C9_6029_UN,O=C1N(CCO1)C2=C3C(=CC=C2)CN(CC3)[S](C4=C(O)C=C(C(=C4)I)F)(=O)=O,QFRLNUBGFPDDET-UHFFFAOYSA-N
-34B3AB56AFC292EB_6353FD1912E93941_6035_UN,O(C[S](=O)(=O)O)C2=C(C(N1CCN(CC)CC1)=O)C=C(C=C2)Cl,BXUMOALDFJPALH-UHFFFAOYSA-N
-34B438E836AB63AD_6391854C203CB978_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C2=CC=C(C3=C2CN(C)CC3)F,QKFRPBYSOQYAMX-UHFFFAOYSA-N
-34BB5E43F015186E_8EE6DAD90F0B2CD4_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3CC3(CC)C)=O,PVLWIGXDJLVCJJ-UHFFFAOYSA-N
-362AE91E9D72CD1A_4BFFB733E7763D5A_6038_UN,CN(CCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CCF,BALIOTXLIFQRAP-UHFFFAOYSA-N
-390C20A12624DCFA_2F5CD55D6F9D5B33_6034_UN,NC3=NN=C(NC1CCOC2=C1C=CC=C2)N3CC(C)(C)[N](=O)=O,ZMODZTGEKBSDAW-UHFFFAOYSA-N
-3AC0E1B539B99CF1_29EBBB237CFF3D48_6038_UN,CC2=N[N]1C=C(C=CC1=N2)NC(C(C)C3=CC4=C(C=C3)OCO4)=O,IHRLQAGPSLFGKV-UHFFFAOYSA-N
-3B25ECF1FB586DA1_F948CA694A6463EB_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,GTLOEXPWDWSGTL-UHFFFAOYSA-N
-3C42575573EB6F51_BE54F863E777C4B3_6034_UN,COC1=CC2=C(C(=C1)F)C=CN2C[C@H](C3=N[NH]C(=N3)C)N,OLRLLMPUIQHWGI-GFCCVEGCSA-N
-3DFCB3AC05FBCEB7_FD28D4C59D57E74F_6029_UN,CCC=C1CN(C1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,SYCOLQQYYMIDTG-UHFFFAOYSA-N
-4008D11419D57EA8_39B8FB03B8D25776_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,RMAIXTMUZSPCKW-UHFFFAOYSA-N
-41CD0FB2849F98FA_BB84D723AD49607D_7015_UN,CN2CCC(C)(CN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,WOLNKMMCDFIXHW-UHFFFAOYSA-N
-4379AC3F7B62B4E6_E5AD5D3410410E0C_6029_UN,CC1=CC(=CC=C1)C(O)CN[S](C2=CC=CC=C2)(=O)=O,YDBDBXXYBKKZJE-UHFFFAOYSA-N
-46D3985ABFE3BC3C_FF1C6327600F5CD6_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=C4C)C(OC)=O)=O,MMMSHDDUDAKZPM-UHFFFAOYSA-N
-493DFA2B2F4D5399_9147F1897C637E55_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CCC(C2=C(OC)C=CC(=C2)C)=O)=O,KFAITYJHLWUDKK-LBPRGKRZSA-N
-4A1FF6783B6DD147_D8930BE2AB2012E9_6038_DP,N1CCN(CC1)C2=CC=C(C=C2)NC(C3(CC(C)=O)CC3)=O,OKJHMLKGUJJLSA-UHFFFAOYSA-N
-4C1D40DA9C6FA304_17AF15B54735BE5A_6043_UN,ONC(=N)C1=C(C=CC=C1)N([S](C2=C(F)C=CC=C2)(=O)=O)C3=CC=CC=C3,KNCDETOYTMHPKU-UHFFFAOYSA-N
-501AC995EF84F983_05EA95B55D9865DB_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C(CCC)CCC)=O,WNBHKNJQIPAZLA-UHFFFAOYSA-N
-51C0D6429FA503A1_AABF0A69EA70C8C6_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC=C(C(O)C3CC3)S4)(=O)=O)C=CC=C5,YKDNPXPPZFFECK-UHFFFAOYSA-N
-527D97EF42FD3AAB_4EBF453367DE8A96_6038_UN,N(CC(=O)C1=CC=C(C=C1)OCCF)C(=O)CCCN2C(=O)NNC2=O,ASVBLRGJINSVHW-UHFFFAOYSA-N
-55C295F2C6F766B4_D374DD6B322BCD80_6029_UN,N(CC1CC=CC1)[S](C2=CC=C(C(CC(C)(C)C)O)C=C2)(=O)=O,COVLHVVCGMBQKU-UHFFFAOYSA-N
-565ECB582681BFDE_ACAEF0037B185616_6029_UN,C1CC2(C1)OC4=C(CN(C2)[S](C3=CC=C([P](C)(=O)C)C=C3)(=O)=O)C=CC=C4,MXCAICBLYZBXAG-UHFFFAOYSA-N
-5B71364EDECE483B_5820A79322677D0A_6038_UN,CC1=C(C=CC=C1NC(CN(CCCCCC)C)=O)N2C(=O)CCC2=O,HHFVIGPKUCGZDX-UHFFFAOYSA-N
-5D427AFEB6E6791D_12CFE618CDEE4A0A_6029_UN,OCC1(CN(C1)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O)O,YKRQKNFDAJGCLR-UHFFFAOYSA-N
-5D5E814E8757C201_DBA8956CD842312B_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=C(C=C4)Br)(=O)=O,LFXITFKVQORENO-UHFFFAOYSA-N
-5F4DFFDDB3BB6305_4F667614513CBF2D_6036_UN,C(C=C(Br)Br)N([S](C1=CC=C(N)C=C1)(=O)=O)C2=NCCS2,KQADAGLCXUTADD-UHFFFAOYSA-N
-626407184CC1DE2A_533CF20F336CB137_6041_UN,O=[N](=O)C1=C(N=C[NH]1)NC2C(C(OC)(OC)C2(C)C)(C)C,DBBZBWDFSGLSOL-UHFFFAOYSA-N
-62F43B3F11FD9098_145AEEB528608437_6038_DP,O(C1=CC(=CC=C1)C2=CN=C(C=C2)F)C(C4(ON=C(C3CNC3)C4)C)=O,JZYYQCNBDGTCGM-UHFFFAOYSA-N
-63D332549C2CA95E_21F1AC10BF6D5A9C_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCC(C)(C)CC3)C)=O,MZACYGWQGMVDBX-UHFFFAOYSA-N
-667746D0CC4C4B06_40B000674A69B797_6029_UN,N(CC(O)C1=CC(=CC=C1)Cl)[S](C2=CC=C(C=CCBr)C=C2)(=O)=O,LHQMRMMIGOAVEC-UHFFFAOYSA-N
-66B84929140EDDF0_2F95421FBD7A5A37_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(N=C(C)C=C4)C)=O,ZBPMLESGVJYARX-UHFFFAOYSA-N
-6720E86DD0061073_932120A232A08E12_6038_UN,COC(=O)C1=CN=C(CCNC(C(CC(OC)=O)(C)C)=O)S1,RFBJOIWXHRVQOI-UHFFFAOYSA-N
-672A6290F3A5CFAB_8A7AD665C4BD7FAD_6029_UN,O=[P]1(CCN(CC1)[S](C3=C(CO)C=C2OCOC2=C3)(=O)=O)C4=CC=CC=C4,CTIMDTSJTAOYGJ-UHFFFAOYSA-N
-681E2AA2572E9202_E272F258742619E7_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC=CC=C2C(NCCCOC)=O,XGTVEJFGPYXOFZ-UHFFFAOYSA-N
-68CF68CDC70688B0_28D2153D78EE9191_6035_UN,O(CC1=C(C=CC=C1)C2CCC2)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,LRXNJQACOKNRRD-UHFFFAOYSA-N
-6AD1F35A783AD435_51CFBB404F3DB181_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(CC2=CC(=CC(=C2)C)C)=O)=O,FKSSFHRWOOCOKV-LBPRGKRZSA-N
-6AE7F4F3BF408272_14218DE48F8A6D5F_6029_UN,N(CC1=C(C=CC=C1)N=[N]#N)[S](C2=C([S](O)=O)C=C(C=C2)F)(=O)=O,KYZFTYXLIALVSV-UHFFFAOYSA-N
-6DBB800636779A05_A075BB583A5C731E_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)=O)CCNCC3)=O,OATBCPZLINHMOD-UHFFFAOYSA-N
-6EE4973261DCC2F5_6C324773F9691117_6038_UN,N(CCN1C(C=CC(=C1)Br)=O)C(C(CCN(C)C)=C)=O,BJQQKLVAHIMNKV-UHFFFAOYSA-N
-6F7BCFCB1A00026D_8B64BFD005FF3347_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC)CCNC3)=O,JXAKWMCLAHECFV-UHFFFAOYSA-N
-7091B42A56628D25_9AB7F6FE0FB4481E_6029_UN,N(CCCCC#N)[S](C2=CC=C(C1(F)CC1)C=C2)(=O)=O,NYMHDFIPLZQZIB-UHFFFAOYSA-N
-71D3DF591E91BBBE_F2D06CEC862A915F_6041_UN,OC(=O)CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC3=C[N](C[Si](C)(C)C)N=C3,UFMLJWUDAJWGKI-UHFFFAOYSA-N
-72F8B71E70970FBE_1910D9D9C763E469_6038_UN,CC2=C(OC(CC(C)(C)C1=CC=CC=C1)=O)C(=O)CO2,XVRUNEKWRZLCKK-UHFFFAOYSA-N
-731B198ACC6FE7BD_F14334362B0CBBE8_6029_UN,CC2=NC1=NC=N[N]1C(=C2)N3CCN(CC3)[S](C4=NC=C(B(O)O)C=C4)(=O)=O,BXVBPVUZPIVXBP-UHFFFAOYSA-N
-7362F384938DC2AA_56A8FEFD64D44993_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C(CCC)CC)=O,UNOGDCKWGMWWEP-UHFFFAOYSA-N
-7372834CA658BF67_49EFB6384AE67FA3_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3CC(CC)(C)C3)=O,YOJGKFNCVLJCEU-UHFFFAOYSA-N
-73CBF5B455EAD4AD_8C108CCB3120FD28_6038_UN,COC(=O)[C@@H](NC(=O)C1=C[NH]N=C1[N](=O)=O)CC2=C[N](C)C=N2,XVTPBLJXALTCHY-VIFPVBQESA-N
-7494AA96B0B8D319_A28F66BE6C5168EA_6029_UN,N(CC1=CC=C(C=C1)CCO)[S](C2=CC=C([S](O)=O)C=C2)(=O)=O,NDZUQJXFHJUDTB-UHFFFAOYSA-N
-767C278A8B7AFB1C_341F0542B9D24114_6041_DP,C1(=NC(=NC=C1)C2=CC=CC=C2)N[C@@H]3C([C@H](O)C3)(C)C,NCUQVAPIRSFAAA-QWHCGFSZSA-N
-76F1DB2C008F3236_9AC80D6FD8E9302B_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(C=C2)C)C(OC)=O)=O,UWYAKYFCVISTQN-NSHDSACASA-N
-79F0493D453BE01E_17F02596AE183833_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=CC=C(B(O)O)C=C4)(=O)=O,FHFCHVVTUCPPKJ-UHFFFAOYSA-N
-7BD352116A02C630_991C40D579F37602_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,UPSTUFILBAIHJO-UHFFFAOYSA-N
-7FB19E634C8AB520_CBC072CFD61242C5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2C)C(OC)=O)=O,UUFPJWWBCMKZJS-NSHDSACASA-N
-81759365DB494C9F_11EDF0573CBE9888_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCNCCC4,MGEOZBVSYYXXGS-UHFFFAOYSA-N
-8283C715E53CDE7A_6C80E4CB0C7F8C0A_6041_UN,NC(=O)NC1=C(C=CC(=C1)NC[C@@H]2OC(OC2)=O)C(=O)O,ZCZUGLQCTKHLRF-ZETCQYMHSA-N
-840668AA34F2B193_7D8511D8B9387019_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C5CCCCC5=CN=C6)(=O)=O,GTNWZQKSRWBIAC-UHFFFAOYSA-N
-852DD3BF4F6393E1_54F4CF68A65B291D_6039_UN,CC2(CCOCC(NC1=C([N](=O)=O)C=C(C=C1)C(F)(F)F)=O)N=N2,VEACZQIBTWXDMZ-UHFFFAOYSA-N
-8A6EC860A0043F18_23EB4A0C3C698A3A_6038_UN,O(C1=C(C=CC=C1)N2CCCC2=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,BXLRKHOIHGMBJC-UHFFFAOYSA-N
-8AFD07AE065316FF_49C8332CA3E38AE3_6039_UN,CC[C@@H](C)COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,PBIMGQUHCQEEGX-GFCCVEGCSA-N
-8C9C82C6969E1F7D_0BFDB79589ABD48C_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(Cl)C=C(C=C3)C4(CCC4)C#N)(=O)=O,ORUKNFIJXXZFKC-UHFFFAOYSA-N
-8F73581DD600F9CE_79F4F6FE4256FF80_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,JSEDJIYMGXAROZ-UHFFFAOYSA-N
-8F9A1CE15D5B822E_DF27D8437B3C31F5_6035_UN,O(C1CCN(C1=O)C2=CC(=CC=C2)Br)C3=C(C(C)=O)C=CC(=C3)N4CCCC4,TUEGVEQAWNHKLZ-UHFFFAOYSA-N
-8FB57E0272606056_17B7BF1CC24BFEC4_6039_UN,O(CCN1C(=O)CNC1=O)CC(N(CC2=CC=CC(=C2)OC)C)=O,UAUPPOUNGDYEHA-UHFFFAOYSA-N
-9207DA766C7F2027_9E8B694B343CF604_6038_UN,CC1=C(C=CC(=C1)NC(CCCC2(C)N=N2)=O)[N](=O)=O,WXWCISWBEOXWAZ-UHFFFAOYSA-N
-92AF05705D21890D_151E80B3FB7127A0_6029_UN,N(CC1(CC1)CN=[N]#N)[S](C2=CC=C(CC)C=C2)(=O)=O,KRVCFJYWGLMZAX-UHFFFAOYSA-N
-936467FF9D429232_C0250A0A63257223_6038_DP,OC[C@H](NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C(=O)O,FRAQNDXKKZFPTB-ZETCQYMHSA-N
-94CAB0B46AEFDF1A_B5F1E7447A79E423_6041_UN,CC1=CC=C(C=C1)[N]2N=NN=C2NC4=CC3=C(CC(C)(C)OB3O)C=C4,GUDYTVFRGUJRQX-UHFFFAOYSA-N
-955404752A0FDD7A_CE7A8763B4C3FBE1_6038_UN,CC1=NC4=C(C(=C1)N3CCC(OC(=O)C2=CN=C(C=C2)F)CC3)C=CC=C4,XMVKRDXVBQNWMI-UHFFFAOYSA-N
-95C11C36C7E7634B_5F5264E0A230B477_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=C(C=C4)F)[S](=O)(=O)Cl,STKPDILWGSYXSO-UHFFFAOYSA-N
-99527B4BB5A55A78_6DC3551DEBB1DF21_6039_UN,CCCN(CCC)C(=O)COCC1=CN=C(N(C)C)S1,VOFNVHVJEWCGMS-UHFFFAOYSA-N
-9B071D9658C1EB80_676292D28D6D4A92_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,RZRLIHROZGSCJS-UHFFFAOYSA-N
-9B708E6EE8EE7938_63F0849BB9E1B6A6_6041_UN,CC1=C(N=C(S1)N[C@@H]2CN(C)CCC2)C3=CC=C(C=C3)F,JBOKHECBYPEDIU-AWEZNQCLSA-N
-9C34239EC009F578_A889850E882C8878_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,KQTZMDZZURBJND-UHFFFAOYSA-N
-9C431621E3B6EC47_76A4785D1E05C240_6031_UN,O(C(=O)CC(Cl)C(F)(F)F)CC2=NC1=C(C=C(C=C1)C(F)(F)F)S2,BZJBLJKZFMBBKX-UHFFFAOYSA-N
-9CD40FDD2ADEC3EA_3F445B11526BDE2F_6031_UN,CCCCN(C)C1=NC(=C(C=N1)Cl)C(=O)OCC3=NC2=C(C=CC(=C2)Br)[NH]3,MPBCVSPURKOZGH-UHFFFAOYSA-N
-9CEADF1F11484490_BB43B2721DE2E429_6041_DP,C2(=NC1=NC=N[N]1C(=C2)C3=CC=CC=C3)NC4(C(OC)=O)CNC4,IFEIVWZNLRFNAI-UHFFFAOYSA-N
-9F0D91FE20CBF0CC_340D4902CF107936_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(C=C(F)C=C2)F)(=O)=O,FRULAXATOSTQDI-UHFFFAOYSA-N
-9FA7B9CF7225D7F4_586661ABBE1FF78F_6038_UN,CN2CCN(CC1=CC=C(C=C1)CNC(CC(CCC)CCC)=O)C2=O,VGUYCZJUSKBZFE-UHFFFAOYSA-N
-A04F1460B4875EA3_DF83F809DC0CB715_6039_UN,O(CCCN1C(=O)CNC1=O)CC(NC2=C(C(OCC)=O)C=C(S2)CC)=O,AVKAFMJSNSBKJB-UHFFFAOYSA-N
-A29CC515707CBDFC_E30545BD7ED85A32_6039_UN,CC(C)C1=C(C=C(C=C1)C)OCC(OC)C2=CC=CC=C2,JTPSHXWCWBSWSO-UHFFFAOYSA-N
-A32B358BD111BA03_9AD0BE483081EFA9_6036_UN,C1(CN(C1)C2=NC(=CN=C2)Cl)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,QSFQOMZVBFAWGV-UHFFFAOYSA-N
-A33ED6121D520D19_7A74F99EB81121FD_6038_UN,NC1=C(C(NC(N1)=O)=O)OC(C(CCC(OC)=O)=C)=O,UVMKESGKIDIWAL-UHFFFAOYSA-N
-A39E039F8E07B78C_F895E3DC62493AB0_6028_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(F)C=C(C=C2)Cl)(=O)=O,BHDOGCXEDRAPMK-UHFFFAOYSA-N
-A4646244018EB607_418FC5BA4083F6EE_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@H]3CC3(C)C)=O,IAWXFSYWRKEWQA-GFCCVEGCSA-N
-A4E15082623F6B3A_CDD05C9A58E7585B_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCCC)CC)=O,HSHPPUUGUDEHBY-UHFFFAOYSA-N
-A53598841A1BC652_9937195591337EBC_6038_UN,O(C2CN1C=CC=CC1=NC2)C(=O)CSC3=NN=C(O3)C4=CC=CO4,XVBWRRZIVXUYRB-UHFFFAOYSA-N
-A59224A687FE6B0E_E3EA4447F6915752_6029_DP,C1CN(CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C5=NC4=C(C=CC=C4)O5,SVZPAWHSYPECFO-UHFFFAOYSA-N
-A6E98B9E3038BE9D_FC4F849D645ED002_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC3=C(CCN(C)C3=O)S4)(=O)=O,CZTHTFGXOBOFRE-UHFFFAOYSA-N
-A7F44AFBBCEE16BE_9ABADF58B31F5E7D_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=NC=CC=C2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,XCFHIQXVGUZXAP-UHFFFAOYSA-N
-A8CF5807ACFFC7B6_004BC5C672A38486_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C(C3CCNC3)(C)C)=O,ASOCYORCQSPHAB-UHFFFAOYSA-N
-A8FC4D49380CC871_1873FB7E49AC843D_6038_UN,COC(=O)C1=CN=C(CCNC(CN(C(OCC)=O)C)=O)S1,INXURMSLFHGRAO-UHFFFAOYSA-N
-A9A79973DA6AE05C_70712C866D6E7A72_6034_UN,CC(C)C1=NC2=C(C(=N1)Cl)C=CN2CC(CC#CC)N,MZHWSWFCYRERDQ-UHFFFAOYSA-N
-AA404F7456872E35_F5F64384BD1BE5E2_6041_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3(CN(C)C3=O)C,VDSDNFURAJQVCO-UHFFFAOYSA-N
-AF1EE1C237894EE8_C928B2A48A3B3124_6034_UN,FC(F)(F)CC2=NC1=C(C=CC(=C1)Br)N2CC(CC(C)(C)C)N,BCHGZANEJQUYRJ-UHFFFAOYSA-N
-B07DB2B8790E6BE0_16D6FC8FB8A978F2_2201_UN,CC(C)C1=NC4=C(C(=C1SC2=CC=CC=C2)C3=CC=C(C)C=C3)C=CS4,IJIXTDBLGARESU-UHFFFAOYSA-N
-B128B7C2B8184A34_E7C64BA77D0A4AD4_6038_UN,CC1=C(C=CC=C1NC(C2(CCN(C)C)CC2)=O)N3C(=O)CCC3=O,BXZLDITZRBBPDB-UHFFFAOYSA-N
-B2EE74BFDB0BCB7B_ABEA7BDEB4FF6C51_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CC(C(OC)=O)(C)C3)=O,GFQJGFCFIWFJNM-UHFFFAOYSA-N
-B3BEA28680A66A8B_F489FDFBFBD97AFF_6038_UN,NC(=O)C1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,YPZIJYDBGSZQBG-UHFFFAOYSA-N
-B4158A9A3D33873F_C1A127217ED6ED71_6038_UN,NC(=N)C1=C(C=CC=C1OC(CN2C(CN(C)C2=O)=O)=O)F,VKDMFBWIXNZJKA-UHFFFAOYSA-N
-B45EE5673B5B82DC_35CD66F41EA63450_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=CC=C3Cl)[S](=O)(=O)Cl,QNYHPNFTGQLROQ-UHFFFAOYSA-N
-B69DD057AC9CA1FF_5116725626D4E142_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC2=C(CN(C(C)C)C)C=CC=C2,WNZSACSJFOTNSZ-UHFFFAOYSA-N
-B6A7D0072A012828_1DD5469928268AE7_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=CC(=C(C=C2)Cl)Br)(=O)=O,VCTAHBVBIZWMFC-UHFFFAOYSA-N
-B6BA286681F2922F_19CB6E7AB95D2580_7022_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,JDKNBMMNWCJFHY-UHFFFAOYSA-N
-B718E729A8392CDC_373BA9CD8AD48D5B_6038_UN,CC2=C(OC(CC(C)(C)OCC1=CC=CC=C1)=O)C(=O)OC2,KCPCLPIWZNVLJM-UHFFFAOYSA-N
-B76BF57C79D6D6CE_1B68486D6C7B11F6_6041_UN,O=[N](=O)C1=N[NH]C=C1NC2C(C(OC)(OC)C2(C)C)(C)C,JYIROBHRYRBXHH-UHFFFAOYSA-N
-B77DC0A20FC9ED3C_975B510FCBFF7346_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CCCN3)C)=O,RVZYHLZWRILRQZ-UHFFFAOYSA-N
-B7837AA2989BBD0E_AB893A44B697131A_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3C)C4=CC=C(C=C4)C(C)(C)C)(=O)=O,XGZJKQRBSOPVNY-UHFFFAOYSA-N
-BAC56374EA0AF1FB_174E658CCF3E4334_6029_UN,N(C1CCC(CC1)C#C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,YTNJTMFYQSZCBW-UHFFFAOYSA-N
-BC2E165766C34A5B_9B97994E305B7C40_6029_UN,FC(F)(F)CCN1CN(CC1=O)[S](C2=C([N](=O)=O)C=C[N](=C2)=O)(=O)=O,PERLJMVIUTVCGK-UHFFFAOYSA-N
-BCDA4D33B46C45EC_98B64A85B54096A1_6026_UN,O=[N](=O)C2=C1C=CC=NC1=CC=C2[S](=O)(=O)N4CC=C(C3=C(F)C(=CC=C3)Cl)CC4,AVLYHRVHLGTZPY-UHFFFAOYSA-N
-BD39067285CF4733_8ADDA8777F02C3D6_6029_UN,N(C[C@@H](O)C1=CC(=CC=C1)Cl)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,LCIMKCIBSRTSKC-OAHLLOKOSA-N
-C16C0B889AFD24B2_1A0B8E7E9373B70A_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC3=C(CC(N(C)C3=O)=O)C=C4)(=O)=O,JATJWOSAZSYFRD-UHFFFAOYSA-N
-C183C03A8F30B3DB_1913A58F9B5B1E75_6038_UN,CC1=C(C(=CC=C1)NC(C3CCN(C2=NC=C(C)C=C2)CC3)=O)C(=O)C4=CC=CC=C4,LMDALLTTZYPLPA-UHFFFAOYSA-N
-C25059918AB63D2B_FF4BB1CCD1F14F62_6003_UN,CCC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)(C2CC2)C3CC3,DSLJIHWZUWQKBL-UHFFFAOYSA-N
-C46A68906EEECFD5_085A56ABC78BD0D4_6041_UN,CC1=NC2=C(C(=C1)NC(CC(C)C)(C)C#N)C=CC(=C2)F,UGWXMEMUQUHWKF-UHFFFAOYSA-N
-C84FB4BAF015F5A7_0B936B9C831A505A_6038_UN,CC3=C(OC(C1(CC1(C)C)C2=CC=CC=C2)=O)C(=O)CO3,YKDHOWBAGVYUNG-UHFFFAOYSA-N
-C8782A95A90933B0_2CEDC92675C2B4FC_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C=CC=C3)C5=NC4=C(C(CCC4)=O)S5)(=O)=O,KHVTWODHLNPWCW-UHFFFAOYSA-N
-CAA1DA4A4EBC76BB_638DB47EEA1CE970_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)NC3=C(CCC3)C#N,ZFHNZIANWKLIBT-UHFFFAOYSA-N
-CDAC92188C8E110F_9CFD902899807373_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC(CCCCCC)C)=O,KTCSONJFSCKTLU-UHFFFAOYSA-N
-CF318E583D11363D_A6FD7032380CAC6F_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NC4=CC=C([S](N(C)C3CCCCC3)(=O)=O)C=C4,APLLJPMYBCDKFW-UHFFFAOYSA-N
-D024F6BAAC21A844_4C9B1DB6AE36765D_6039_UN,O(C1=CC=C(C=C1)N2CCC2=O)CC(N(CC(NCCC)=O)C)=O,FLFNDDVDVIAWFY-UHFFFAOYSA-N
-D3B27FA08C107EAE_6F1F73109DD7F722_6039_UN,OC(=O)C2=C(C=C1OCOC1=C2)OCC(NC3=C(F)C=CC(=C3)[N]4N=NN=C4C5CC5)=O,RVZXBKNVMCVGAW-UHFFFAOYSA-N
-D3B4E3E951A33919_248CC65925C10269_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,SDKRIZIWUZFHAE-UHFFFAOYSA-N
-D56B7464D155AA6D_B54067579636A081_6026_DP,[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)NC3=C(CNC3)C#N,FUJTUHPUMPASGW-UHFFFAOYSA-N
-D665EB90C76CFBEA_D31A6707C02AEF96_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=CC(=C(C=C2)C)C(OC)=O)=O,UWYAKYFCVISTQN-UHFFFAOYSA-N
-D8B2CBC22C462A2C_EB992341A4B526B7_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C(CCCC)=O)=O,CTWSCCRRQPWCPI-UHFFFAOYSA-N
-D9428D8ED3B94ED1_A2D741049FB6A7ED_6041_UN,CC(C)N(C)C1=NC=C(C=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,CNYRBKBDHKZBRT-MRXNPFEDSA-N
-DC67BDB4C1459D2D_930D05B4A0820A47_6038_UN,FCCCSC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O,PUJGHZPOBFUKFG-UHFFFAOYSA-N
-E039D2B37B8A0ABE_4F0D222F14E2F9B5_6039_UN,CC3(COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)CC3(F)F,BCWPLKABZDLQLD-UHFFFAOYSA-N
-E0E3DD493831BAC9_D7B5EF5FDA0821AF_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C4=C(N3CCN(C)CC3)C=CC=C4)=O,TZLWOKMLZAOKFC-UHFFFAOYSA-N
-E24B72D5ADF7E132_8230783250EEC586_6039_UN,O(C=C1C(CCC1)=O)CC(NC(C2=CC=C(OC)C=C2)=O)=O,GFWBYHDKNQRARV-UHFFFAOYSA-N
-E2B052D3A4A84743_265E3FF7FA505965_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,OYLLIONCRMIEJJ-UHFFFAOYSA-N
-E3FD38475E006026_3AFB41B6D434BBAC_6029_UN,N(C1C(C1C(F)(F)F)C(F)(F)F)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,NXLJOZBUBCWARX-UHFFFAOYSA-N
-E4F99DAE66983963_6681CE780A61FB9C_6038_UN,CC1=C(C(=CC=N1)OC(C(=NOCC(OCC)=O)C2=N[NH]C=C2)=O)[N](=O)=O,SNXQABFPEGIVDJ-UHFFFAOYSA-N
-E50EADF0A766CC82_DA719C8359CD176B_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C=N[N]3C)Cl,OYCVKIHFAKQXOE-UHFFFAOYSA-N
-E534CB90D2B88D3E_4F5F059CF744624E_6029_UN,ClC1=CC2=C(C=C1)OCCN(C2)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,MOEYAPUKKMNVFU-UHFFFAOYSA-N
-E641A076B9E9E976_02F44927DE565BC8_6035_UN,O(CC1=C(C=CC=C1)[S](=O)(=O)O)C3=CC2=C(CN(C)CC2)C=C3F,MJYGAQWBGLNIJD-UHFFFAOYSA-N
-E69D7DA4E51AF55B_838CDF164FE460AE_6041_DP,C1(=NN=CC(=C1)C2=CC=CC=C2)NC3(C(OC)=O)CNC3,WNRBTEZONKKBHC-UHFFFAOYSA-N
-E8588D7328C1418F_2FE5EE4145897F14_6029_UN,N(CC(O)(C1=CC=CC=C1)C(F)(F)F)[S](C2=CC=C(C=CC)C=C2)(=O)=O,CZPJJYDRTPZGTC-UHFFFAOYSA-N
-E8A1F5A9D17834B4_04EA3535A31477E5_6029_UN,CN(CCCN(C)C(=O)OC)[S](C1=C(B(O)O)C=CC=C1)(=O)=O,PIXGJPDTHWOJKA-UHFFFAOYSA-N
-EA6641DBF4FCA398_232729E1E5721415_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@]3(CCCN3)C)=O,RVZYHLZWRILRQZ-INIZCTEOSA-N
-EB370F849BCEDA18_44C4324A5AD0DCB4_6029_UN,N(CC1CC(C1)(F)F)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,SRBKLXXKKDXGGE-UHFFFAOYSA-N
-EE36A239706873DF_4AE901BDD6E95C9A_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(C)CC3)=O,MAJVWTCJABUWCL-UHFFFAOYSA-N
-EE7FFF7CA2F70F65_675B919BBB5A013F_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CC(CC)(C)C3)=O,YZAOOSXTZUCYAR-UHFFFAOYSA-N
-EFCFEDFA744FBA65_BCCB1A605DE2EA33_6038_UN,CC2=C(C(=C1C=C(C=CC1=N2)F)OC(=O)C3=C(C=CC=C3)N4CCCCC4)C,HWQOXSIXPUVJME-UHFFFAOYSA-N
-F38AD5AFA046F016_E70974C397F79875_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C(CCCCCC)C)=O,JEKAUGKOTOVSGY-UHFFFAOYSA-N
-F4159A0BCC10C98C_1BDBE1D22DD3473D_6038_UN,C[N]1N=NN=C1C2=CC=C(C=C2)NC([C@@]34C[C@@H](C)[C@@H]3C4)=O,FXBSDHBWAYWHJN-MURWCNHISA-N
-F650AA71315E516A_47E122C520A1DB99_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=C(C=C3)F)[S](=O)(=O)F,YXIXXDYEOGOPKV-UHFFFAOYSA-N
-F67332C783201A28_5DB5578358B85C29_6038_UN,CCCC(NC(C1=C(CC(OC)=O)OC=C1)=O)C(=O)N(C)C,CJRLIVFXCSLEOD-UHFFFAOYSA-N
-FC8B43F89B37CB88_C793F96CAAA98478_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(CCC(C)(C)C)=O)=O,JGJUJJIXZQZVMH-UHFFFAOYSA-N
-FCC82AFC59E188FF_50AF0A947C1F8C1D_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=CC=CC(=C3C)C4=NC=CC=C4)=O,NGRNMUSLAKLVNL-UHFFFAOYSA-N
-FCD942268CE8E7A9_FFBC9CF411A7D35C_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C2(CN(C)C)CC2)=O,PBLIHRQTEOXPCI-UHFFFAOYSA-N
-FDD9353F0DF4194D_65BEBAA25FD23024_6038_UN,NC(=N)C1=CC(=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,LDSBDQFFRLPGHG-UHFFFAOYSA-N
-rxn:1:45213:8449,CCCN1C(=O)C(Cl)=C(n2cc(C(=O)N3CCC(c4nc(C)cc(Oc5cccnc5)n4)CC3)nn2)C1O,LJOKCOPTWSFWAI-UHFFFAOYSA-N
-rxn:1:47365:23908,O=C1CCC(N2C(=O)c3cccc(-c4cn(CC(O)C(O)c5cc(F)c(F)cc5O)nn4)c3C2=O)C(=O)N1,UANZDOIUDAXYMX-UHFFFAOYSA-N
-rxn:1:47676:8181,Cc1cc(C)nc(Nc2ccc(C3CCCN(C(=O)c4cn(CC(O)C(O)c5c(Cl)cccc5C(=O)O)nn4)C3)nc2)n1,NOOZRIHUUSAMGB-UHFFFAOYSA-N
-rxn:1:47884:23908,O=C1CCC(N2C(=O)c3cccc(-c4cn(CC(O)C(O)c5ccc(C(F)(F)F)c(F)c5)nn4)c3C2=O)C(=O)N1,XQDJJCLCYLWBQK-UHFFFAOYSA-N
-rxn:1:52456:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(C4CCCN(Cc5cc(C(=O)O)no5)C4)nn3)c2)CC1,XKSYRAGKCSMAKV-UHFFFAOYSA-N
-rxn:1:59742:34005,CC(NC(=O)c1ccnc(N2CCOCC2)c1)c1cn(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)nn1,UURISGVSSIBGQW-UHFFFAOYSA-N
-rxn:1:61477:25113,CNC(=O)c1ccc(N2CC(c3cn(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)nn3)CC2=O)cc1Cl,NXTWVOAJHMAHBQ-UHFFFAOYSA-N
-rxn:1:61867:9808,CC(C)(Cn1cc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)nn1)C(=O)N1CCOCC1,IYDYRVQNSDTPJU-UHFFFAOYSA-N
-rxn:1:62966:7882,CC(=O)c1ccc(Cl)c(N2CC(Cn3cc(C(=O)N4CCN(c5cc(C)c6ccccc6n5)CC4)nn3)CC2=O)c1,OKOCKWWJBRHJGN-UHFFFAOYSA-N
-rxn:1:63562:33206,Cc1cc(Br)c(N2CC(Cn3cc(COc4ccc(C(=O)N5CCCC5)cc4)nn3)CC2=O)c(C(=O)O)c1,MQCUBLRVOAQMOO-UHFFFAOYSA-N
-rxn:1:63787:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4c(C)cccc4C(=O)O)C3)nn2)CC1,IMYOYHRYACKGAM-UHFFFAOYSA-N
-rxn:1:64994:13749,CC(C)(C)N1CC(OC(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ncccc5C(=O)O)C4)nn3)c2)C1,SJRVHYMHEPEOBU-UHFFFAOYSA-N
-rxn:1:65364:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4cccnc4C(=O)O)C3)nn2)CC1,PPWUZUIYBGUMSD-UHFFFAOYSA-N
-rxn:2:91997:152379,CC1CCCN(C2CCC(CNC(C)c3cccc(-c4cccc(S(C)(=O)=O)c4)n3)CC2)CC1,DNVSPOBDTKFNHP-UHFFFAOYSA-N
-00C74D9AB65F96E5_4EDFFBD1CCADF668_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C[S](N(C)C)(=O)=O)C=C3,XFUGWXNINKTOBZ-UHFFFAOYSA-N
-01267056E7DBCBBF_E4E27E006A3AB540_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,QQHNZZAVKCRTJL-UHFFFAOYSA-N
-018E0432381E646C_FECDCC62E2B2A070_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OCOC)C=CC(=C2)OC,VLHLPRWUFOHZFI-UHFFFAOYSA-N
-0508F0B80E52A452_58A3A70AAB74F446_6038_UN,S(C1=CC=C(C=C1)OC2CC2)C(C3=CC=C(C(C)=O)S3)=O,ZVXPWDRTSWZLPK-UHFFFAOYSA-N
-0547E43016D0EF81_9FC1CCECDA290FEE_6038_UN,CCC(OC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)CN(C)C,DKAXBHVGUHUXJH-XVBQNVSMSA-N
-076F6F3CAB4FA085_25AE0280E761FB63_6029_DP,C[Si](C)(C)C#CC1=C[N](C2=C1C=CC=C2)[S](C4=CN=C(N3CCNCC3)C=N4)(=O)=O,CGVOCVBKOIPFNI-UHFFFAOYSA-N
-09378D9ED1A00BBC_8EA89EF3631047CD_6029_UN,CCOC(=O)C1=N[N](C(=C1)O)[S](C2=C(B(O)O)C=CC=N2)(=O)=O,QVFGAYMTIYTXEA-UHFFFAOYSA-N
-0A73997AA3AE4F6E_F1C2495364888163_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2O)C,IGWDATDUWRJUKX-UHFFFAOYSA-N
-0C243ED17E0A6C8B_B6F6AE8B4E63F470_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4C(C3=N[NH]C(=N3)C)C4)=O,LBYHRCPSUXBMGB-PIMMBPRGSA-N
-0CCFCCC235880114_EDB3F5F354B6DA0E_6029_UN,C1C(CN1[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O)C4=NC=CC=C4,TWXUAUJDOOTGJV-UHFFFAOYSA-N
-0D0A89B613FB0B44_FBCB90C4F16ECB32_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(C)(CC(=O)O)C(=O)O,WPQVLBZBZYELNJ-UHFFFAOYSA-N
-0DFF296861E4D52F_C159216629979F88_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OCC(C)=C)C=CC=C2)(=O)=O,JULDWFVPNMECCO-UHFFFAOYSA-N
-0F07F073796FCAB5_EB983CAC47636DBE_6038_UN,CCCC(NC(C2=CC1=C(N(C)C)C=CC=C1S2)=O)C3=NN=N[NH]3,JMGSVYQPBKRYRA-UHFFFAOYSA-N
-104113220742CC2C_712AA526E6C8C52A_7019_UN,C(C(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CC4=C3OCO4,RHEQPJNQBGYCPT-UHFFFAOYSA-N
-11222AC4816CC192_85E7E1CC89B624F1_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=CC(=C(C=C2)Br)Cl)(=O)=O,ZBZHOLSIBAYVIA-UHFFFAOYSA-N
-14594A087CDAE841_8CCDABEFC0FD4D05_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,TWPMRRQLTYOUJJ-GOSISDBHSA-N
-1582A885DDBAF6B2_4CEFC5067D78B554_6038_UN,CC(=C)C(=O)OCCNC(CCC1=CC=C(C(OC)=O)[NH]1)=O,BEUQFLFYWIPUCV-UHFFFAOYSA-N
-164D9C473F2973E1_B622C697538F844D_6038_UN,CN(C)CCN(C)CCCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,NCRBVQQQBKYSTQ-UHFFFAOYSA-N
-1683A97ED24627C2_E0D85E8C7773BF0B_6038_UN,CCC(C)C(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)C,BMCXQQRAWHJIPF-UHFFFAOYSA-N
-178CB69A250F0133_F9A46F493B620DCD_6041_UN,CC1=N[NH]C(=C1NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3)C,JQXIVTYVVQLYME-UHFFFAOYSA-N
-1C1CB182B2C1CC10_B5E3D2A4A8678168_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C(N(C)C)=O)C=CC=C3,AGTFDRIBXYFMRB-UHFFFAOYSA-N
-1C25263E3A2BDF86_8C3606AF8E7BC7DB_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)C(=O)C3=CCC3,MSKOXHUKTYSPNY-UHFFFAOYSA-N
-1CDC8834735D1E69_FC56BE44F3D129F7_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4(ON=C(C)C4)C)=O,ZFBBRTSQZVASOA-UHFFFAOYSA-N
-1D18E99A43593B58_778372992A6471D7_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,VZUBEVUGNZRYTC-UHFFFAOYSA-N
-1EA881B6206C3BCE_5A093E538877C251_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(N=C(C)N=C3C)C)=O,VUADLYKGAWEAKK-UHFFFAOYSA-N
-1F3DBCF0C7560578_C6C46393CE7EBA49_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCNC3)CC(C(C4=NC=C[N]4C)N)(C)C,LPVJCNJUSYDGLQ-UHFFFAOYSA-N
-218C176461ECE5BD_4ED24FEA037A1D87_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCC(C)(C)CC#N)[NH]N=C2,WCSZKKHXFVMNSI-UHFFFAOYSA-N
-2209579F55A587C1_EC6B1D4C736B5233_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=C(C=C2)I)Cl)(=O)=O,SSUONEAYBLASPY-UHFFFAOYSA-N
-221B8F2BF8853B93_D9A1B9B832A5DE92_7019_UN,C(C(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=CN=C(O)C=C3,VDPJPTNMSHFMGK-UHFFFAOYSA-N
-22683DCEB09E475A_7D7733498251E568_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=CC4=C3[N](C)C=N4)=O,DSXCSBKGRDCPAZ-AWEZNQCLSA-N
-23084D4F7EA92B4A_166198A0A2F56F5F_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=NN=CC(=C3)C)=O,DPXLTGSBGGTKGV-ZDUSSCGKSA-N
-234935ED17AF8CBF_EC38E857ED677C81_6003_UN,OC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CCC3,IEZWIMHBIKTCDC-UHFFFAOYSA-N
-25AF62141566A2FF_700A834BA80E799E_6003_UN,O(C2=C1C=CC=NC1=NC=C2)C3=CC=C(C(NC(C)C(=O)O)=O)C=C3,VTWNNWUAUXWMAH-UHFFFAOYSA-N
-26B966384498ACB8_B65CBE27636CA01E_6038_UN,CC1=CC(=CC(=C1)OC(=O)C2=CN=C(C=C2)N3CCC3)N4CCCC4=O,LWQQTYFMLAMYLG-UHFFFAOYSA-N
-2D279B114F69C9F6_1C9D448DBFCC356C_6041_UN,FC1=C(C=C(C=C1)C2=CN=NC=C2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,JYMIIMAFIJIJOV-YSSRZBRDSA-N
-305362BE549696DA_2E14403EA5E49EBA_6026_UN,CC(C)(C)[Si](C)(C)[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)N4CCN(C3=NC=C(I)C=N3)CC4,OZRJEAQHNHACRH-UHFFFAOYSA-N
-30D760B29F1C51E8_DBF8A613152C53F3_7019_UN,C(C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)=CC3=C(C=CC(=N3)C)O,WWOMRWOJXGLUCE-UHFFFAOYSA-N
-317A44308C9C2B1B_4F58F0B5A1ECB849_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(=O)C3=CN2C(=NCC2)C=C3,DMXIITANHCMECI-UHFFFAOYSA-N
-31A9D762EFC58749_BCC5AD5E2768DD0D_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C6CCC[N]56)(=O)=O,PRUZZWUWKALPBT-UHFFFAOYSA-N
-32931F70EBE7B701_812EE2CF9EA7937F_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N5CCC(C4=NC3=C(C=CC(=C3)C)S4)CC5)Br,YNWWQLGDBYXYLZ-UHFFFAOYSA-N
-32BF2695FBD37AC1_5B84E57E3226AE09_6041_UN,CC1=CC=C(C=C1)[S](=O)(=O)OC3=C2C=C(C=C(C2=NC=N3)F)NCC5=C(N4CCCN(C)CC4)C=CC(=C5)F,QPVLICWGMULIRW-UHFFFAOYSA-N
-334041BE4E8EA9B2_C3F13ADFBF15A2A8_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C=C3CC3,VWEZUZXISUIIMS-UHFFFAOYSA-N
-355106AA7A57DB4A_AF95CE2274A32163_6003_UN,CNC(=O)NCCCOC1=CC=C(C=C1)C(=O)N=C=S,IBTMAWGHJGUZGZ-UHFFFAOYSA-N
-383008A7976FE42C_539B7BE3F885C5A6_6041_UN,ONC(=O)C1=C(C=CC=C1)NC3=C(C=C2OCOC2=C3)C(=O)O,LBJNPTQSQQJONL-UHFFFAOYSA-N
-39090018FA5CD8FE_E581A4F7482C715E_6038_DP,N(C1=CC(=CC=C1)OC2=NC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,NDDPGIIBPJCNSM-UHFFFAOYSA-N
-3AE5837A57ACD5D3_7C7ACE7C91EB5397_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,OCDBRPVWKFKULY-UHFFFAOYSA-N
-3B38EEC1C942AF23_7EF420F5B0F4B63C_6038_UN,COC(=O)C1=C(N=CC(=C1)NC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O)C,NQBJHYCGGMZYNV-UHFFFAOYSA-N
-3BD405A3CCDE3EB9_C5760A852EE512EB_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3([S](CC)(=O)=O)CC3,RVZWJJXFGXCMNL-UHFFFAOYSA-N
-3C43D157F75EDEAD_3515ED7EB89858C9_6038_UN,CCN1CC(C1)NC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,YTIALZQFAPBGQI-UHFFFAOYSA-N
-3C7F4D3AFA3F0C7E_CF3A648646D22342_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C2=NN=C(C)[N]2CC=C)(=O)=O,WCQVUNLWSPDSJW-UHFFFAOYSA-N
-3CCCE118F8E0B334_5A9EFC4F1C697FAC_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C=CC(=N3)OC)F)(=O)=O,XQFKEYNMAYFBSA-UHFFFAOYSA-N
-3CE082D6485DBC8B_86BE2B72001F4F03_6041_UN,CC1=C(C=CC(=C1)NC2=CN=C(N(C)C)N=C2)C(=O)N3CCC(=O)CC3,UMDHSVRLUKYFPH-UHFFFAOYSA-N
-3D41683D27C92664_438B84C06EBDB9F4_6038_UN,CN(C)C(=O)CC1=C(C=CC=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,QTMNYVXQLWBJQC-UHFFFAOYSA-N
-3E021720ACBC6C68_2E8FE967CE3C0912_6029_UN,N(C1(CCCC1)C#C)[S](C3=CC=C(C(O)CC2=CC=CC=C2)C=C3)(=O)=O,UIGSNCCWOOPASF-UHFFFAOYSA-N
-3F3B15111FF9AEC0_42081E80AC1FCCEF_6038_UN,N(C2=C1N=CC=NC1=CC=C2)C(C3=CC=C(C[S](C)(=O)=O)C=C3)=O,LJZIDRHFAIJHIH-UHFFFAOYSA-N
-3F7140AA3A6C5B69_97F575739DA94C46_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OCC)C=CC=N3)(=O)=O,HTKMHYYUTNDHQC-UHFFFAOYSA-N
-3FEAE7A850210743_095119BA7FE9D699_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(C=CCCBr)C=C3)(=O)=O,BLPPKAHNECOIPU-UHFFFAOYSA-N
-40CD5A879986C7E8_6FA2574DD362C65C_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)N=C6CCC[N]56)(=O)=O,XCKYIFLZZSWTLG-UHFFFAOYSA-N
-40E462F48290B695_819300EA9F77D5B2_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(N3CCNCC3)C4=CC=C(C=C4)Cl,LAHKVHYQEINHOI-UHFFFAOYSA-N
-41C0C02745EFE7D1_37004464D373E307_7019_UN,CCC1=NC(=CC(=O)N1)C=C[C@@H]2C[C@H]2C3=CC=C(F)C=C3,OBVOBFAWQWDZCD-DOMZBBRYSA-N
-427D6E5FF37E916B_09B1B91B8B93DF53_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC4=NC3=C(O)C=CC=C3C=C4,QXMRFLBARQMHKG-UHFFFAOYSA-N
-45B818A5B1D91F7B_BFF6755658923DBE_2875_UN,C[C@@H]([N]1N=NC(=C1)C(=O)CC2=CC=CC=C2)C3=CN=N[N]3C,FXAGLMDXONHXND-LLVKDONJSA-N
-45CABC9B3CFEDBEB_EC6CF45C5DB0B8AA_6038_DP,N(C1=CC(=CC=C1)C=CC2=NC=CC=C2)C(C3=C(C(O)=O)C=CC=N3)=O,HXZJWRVYTBZYAP-UHFFFAOYSA-N
-46AAF1020FE779A6_2F3FBB322C3A58A1_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=C(C=C3)O,UNZZLLDGBHSISL-UHFFFAOYSA-N
-47EBAC27BD2583CC_B783DA7C1889E5E7_6038_UN,N(C1=C(C=C(C=C1)C2=N[NH]C=N2)F)C(C(CCCCCCCC)C)=O,YUAXSBBCBPIHQR-UHFFFAOYSA-N
-483DEF4113E5EF57_585438FD59143E6F_6038_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C(CC(=C(C)C)C)=O,SBZCOOIJRRBJTB-UHFFFAOYSA-N
-4A45523C960DF1B7_C2938BDECE7266F4_6038_DP,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C3=C(C(O)=O)C=CC=N3)=O,FUVNGXSHHNAHDM-ZDUSSCGKSA-N
-4B9ED1404373ABF1_0CD32AC59B35C3FA_7015_UN,CCN2CCC(CCN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,PXQNTCUZZNTIQI-UHFFFAOYSA-N
-4BF1E967560E5372_960E2A0BD4549FBF_6003_UN,CC(C)(C)C2CCC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)CC2,LSIVBTNMCULKMB-UHFFFAOYSA-N
-4CA8469FA6088E52_985C0FBFA3CA26A0_6031_UN,O(C(=O)C(CC#N)C1=NC=CC=C1)CCC(C)(C)CBr,YMRDJEGRAVCSQV-UHFFFAOYSA-N
-4D82DB0D9A473FCB_BF11A49DB0894FF5_6038_UN,CN3C(=O)C(=C(NC(=O)C1=C[NH]N=C1C2=CSC=C2)C34CCCC4)C(=O)N,DGMOZPRHBRNPHI-UHFFFAOYSA-N
-4D8C79ECFAFC2413_F15E66B8CC152523_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)O[P](=O)(O)O,AXCMBFLJEMMMAD-UHFFFAOYSA-N
-4DF7884ECD813D24_5174817363069FD5_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=CC(=C3)CO)O,IOHJHUCOEGBAJJ-UHFFFAOYSA-N
-4F48B1B5066ECFD5_906624B62F7C7CBC_6041_UN,O[S](=O)C1=CN=C(C=C1)NC2C3=C(OCCC2)C=C(C=C3)F,RGQMOWMIWRCDAG-UHFFFAOYSA-N
-4F495572B2CAA2A1_574907129832B254_6041_UN,C1(=CC=C(C=C1)C(=O)C2=NC=CC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,PTRYVKYZKNOWAX-UHFFFAOYSA-N
-4FF816D0E4606F3C_8C30D127409B7C19_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=CC=C3O,RXCNTADHWMGGOG-UHFFFAOYSA-N
-50C08BAEEA957B2E_98EAB6FD99FC99C0_6038_DP,CC1=C(C3=C(C=C1)C(NC(C2=NC=C(C(O)=O)C=C2)=O)CO3)C,JZZPHCFIMDAMJI-UHFFFAOYSA-N
-5246C6BFC92C3BCB_318253D653AD2A8E_6038_DP,COC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C(O)=O)C=CC=N3)=O,ZMVUCDBJZODCSI-UHFFFAOYSA-N
-548C8C61B420C1F6_56D5F29E4BC7B85E_7019_UN,C(C(=O)NCCOC1=CC=CC=C1)=CC2=C(C=CC(=C2)OC)O,RWGUNYQYSFRSGH-UHFFFAOYSA-N
-55D95D2B4BF42465_69CB6DCF2E6611EF_6029_UN,CC2=CC(N[S](C1=C(CCCCl)C=CC=C1)(=O)=O)CCC2,RNQILNXSJCEIIO-UHFFFAOYSA-N
-597494DD0C3BA337_5CCE80A1CE739CD9_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C)C=CC(=C3)C4=NN=C[N]4C)(=O)=O,AEKGDIGFHNNEGR-UHFFFAOYSA-N
-59C5E13865E83C05_D2B9BCCC6AA47544_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C4(C3=CC=C(F)C=C3)CC4)Cl,MDQNDZYFIXFNLE-UHFFFAOYSA-N
-5B4D2952CB194C98_7B622694B21A6CCE_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=NC=C(C(O)=O)C=C2)=O)C=CC=C3,WQTZUCSNLSINKF-QMTHXVAHSA-N
-5C4DF0C76D87DAE1_68C29F464F30A3DF_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)NC2CC2)=CC4=CC=C(OC3=CC(=CC(=C3)F)F)C=C4,AIIXUQINRXVUPY-UHFFFAOYSA-N
-5D92994862449549_D002139E2C4A9DF8_6027_UN,N(CC1(CCCC1)C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,SURBNEYSHQNUIB-UHFFFAOYSA-N
-5EB375D86F60492D_6FEC8451CDA6F831_6038_UN,CC(OC(C2=C(C)N(C)C1=NN=N[N]1C2C)=O)C3=CC=C(C=C3)B(O)O,ZTPYKUDNYLPYKV-UHFFFAOYSA-N
-5F3DF8C6C057B447_1F2F9C0D3DC69E50_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C=CC(=C3Br)F)[N](=O)=O,TUBGGTIVHCRVJR-UHFFFAOYSA-N
-60BD42ED8D4A7660_B4FB32E7121B9D6C_6003_UN,ONC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3,KBWSPTLOAZBRBF-UHFFFAOYSA-N
-617CC55A298E794C_6E04CD750BC8C279_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(P(N(C)C)N(C)C)C=C3)(=O)=O,DOWMPFCRSYLWIL-UHFFFAOYSA-N
-61CEB0BF6195812C_D8ED1280548CD42B_6038_UN,COC1=CC4=C(C(=C1)OC)C(NC(C2=C(C=CC(=C2)C)[N]3C=NN=C3)=O)CCO4,UOWNCFOCHDQHND-UHFFFAOYSA-N
-6251D69EA32DFACC_62DEA7DE20DB7483_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,ZDAGWNCCHGLKAE-UHFFFAOYSA-N
-6275EDC0B7D68350_32E4313825F35EA5_6038_UN,N(CCCOC1=CC(=CC=C1)F)C(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,ZRXICSNDRNYSFZ-UHFFFAOYSA-N
-640C3611DB4BE263_97C264C1338EAD0F_6038_DP,O(C1=CC=C(C=C1)SC2=CC=CC=C2)C(C3=CC=CC(=C3)O)=O,JCTPHMMCYCCPKG-UHFFFAOYSA-N
-64183AEB7495E4F9_2D08B2DA72163D68_6035_UN,CC(C)C2CN(CCOC1=C(OC)C=C(C=N1)[N](=O)=O)C2,XQAHYDOGOOMKOZ-UHFFFAOYSA-N
-6465961E159005E0_461F5A8544BB214C_7019_UN,C(CN1C(=O)CNC1=O)=CC(C)=CC2=C(C=CC=C2)OC(F)F,HZWBZBXLXQWKDM-UHFFFAOYSA-N
-65630A9D9B0A67FD_ACED726A0F5D40A5_6038_UN,N(C2=C1N=CC=CC1=C(C=C2)OC3=CC=CC=C3)C(=O)C4=CC(N(C=C4)O)=O,HBZZFSSCZTUXHN-UHFFFAOYSA-N
-674DE03F8D248180_D998DDF0A4755FDA_6029_UN,O=[S]1(C4=C(CN(CC1)[S](C3=CC=C(C2(C(F)(F)F)N=N2)C=C3)(=O)=O)C=CC=C4)=O,MXIMZYHXEHDREJ-UHFFFAOYSA-N
-6762E1FE8EAB880E_FCB5662E89FA9195_2875_UN,O[C@H](C[N]1N=NC(=C1)C(CCC)=O)CC2=CC=CC=C2,DPBNRNFYCZEYFT-ZDUSSCGKSA-N
-68D4206596C0A403_E365256BF3E098C4_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C=C(C(=C3)Br)F)[N](=O)=O,NXWCSGAEJOMPPQ-UHFFFAOYSA-N
-69FC9B0A2E1EA167_8B546E6F94E98BA0_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3=CN=C(N(C)C)C=C3)=O,OOKINQKWZTVUOG-UHFFFAOYSA-N
-6BC87C2E7DB87C10_3D5554D6B0597F38_6029_UN,FC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC=C(C3(O)COC3)C=C4)(=O)=O,VYBKWOMSVXOMSH-UHFFFAOYSA-N
-6DA6D2415C962853_B6677679ED00691B_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC(N3CCNCC3)C4=CC=C(C=C4)F,CMUCADZMWLLTAE-UHFFFAOYSA-N
-6F687F1B5C58A577_DAF802DEB29ABA87_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C(C)[N]3N=CN=C3N=C4)=O,ILGYXDJBTNSMMQ-HNNXBMFYSA-N
-70C316683A70448D_B46362BC69558A6E_6003_UN,O(C1=CN=CC=C1)C3=CC=C(C(NC2=CC=C(C(O)=O)C=C2)=O)C=C3,ADFGOZDOXWZOLQ-UHFFFAOYSA-N
-711F22AE3F3EEB9A_A4706ACDD8D86A69_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)C,RJGNAGGADZMGHT-UHFFFAOYSA-N
-7180FF9A70388CA0_4FA36391B838DCE0_6035_UN,O(CCN1CCN(CC1)C2=NN=C(C=C2)Cl)C4=C3C=CC=C(C3=NC=N4)[N](=O)=O,ITCXCPBXFDRLHE-UHFFFAOYSA-N
-72BF4CD8269948D6_DAAB08A6E0FC7BA0_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,ZQBNHWQTWKYGDL-UHFFFAOYSA-N
-73563CC92A0B4C3B_75137D27609FAB56_6003_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C4=CC=C(C(NC3=C(C)C=CC(=C3)C(=O)O)=O)C=C4,ZFJKYWAMJUDDGH-UHFFFAOYSA-N
-75786B433D9E85BF_8F92C28F6C7ADA1B_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=CC=CC2=C1[N](C)N=N2)(=O)=O,OFGUTNTWROFJHM-UHFFFAOYSA-N
-786E2409D71EB070_87664B6A4A96962F_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,HKLAMWADCFIBMP-UHFFFAOYSA-N
-78AB71D89873CCED_5ACA45DBBA82F0D7_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C=CC3=C(C)C=CN=C3)=O,RUWIUSHEHJRFGY-UHFFFAOYSA-N
-78C703D6B2339F1A_3EF88B1AB696D8EA_2875_DP,N1C[C@@H](O)[C@@H](C1)[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,JWJVACSTWMXQOT-ZIAGYGMSSA-N
-79AA87ED7D2C5AC2_3E83731FB12A5C08_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=C(C)C=N5)(=O)=O,MTECGMJEVXDUPM-UHFFFAOYSA-N
-7CAE5D168D9BEC6C_B69C9A031BCC900B_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C=C(C)C3=CN=CC=C3)=O,ABTZOBCJXXNOJT-UHFFFAOYSA-N
-7DB1538EEB7B1732_21FCAA0D3302FA03_6038_UN,CC1=CC(=CC(=C1)OC(C2C(N(C)C(CC2)=O)C3=C[N](N=C3)C)=O)N4CCCC4=O,BNCNKWSEXYDWPB-UHFFFAOYSA-N
-7E66724E341735A7_D1F41382AAA6AB28_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C#C[Si](C)(C)C)=O,VFZCRPQNESZKGI-UHFFFAOYSA-N
-7FE7D2314B0FD954_4F583E23138FA4ED_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC=C4,CCCHWCFJAUKOEA-UHFFFAOYSA-N
-8013380698A9E6A9_CA1A8E59C288FB73_6038_UN,CC[C@H](C)[C@H](NC(C(C)(C)C1=CSC=N1)=O)CN(C)C,CPMGLHJPYGWYAK-NWDGAFQWSA-N
-8037A58D99F2A839_6BDFA3A884DAA324_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C([S](N(C)C)(=O)=O)C=C4)C,ILNUYHODHQGAFL-UHFFFAOYSA-N
-81AD0628D0085794_F2B183C4C382D62B_6038_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)C(C4=C(N(C)C3=NN=N[N]3C4)C)=O,KPAXUVWLMCXOQW-UHFFFAOYSA-N
-83181B60B90A2AF1_A2F803EDD50235D9_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NCC4=CC(=C(N(C)C)C=C4)F,NTRAJHHWPBEDSI-UHFFFAOYSA-N
-8394456C7DA90068_DCECB57240360156_6038_UN,CC3OC(=C(OC(=O)C1CC(OC1=O)C2=CC=CC=C2)C3=O)C,FVNFQCXBRUTIDB-UHFFFAOYSA-N
-83BB0A243B93A841_5BB62A65EC2EA729_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NN(C)C(C=C3)=O)=O,GOQRUEYMBAQSBF-UHFFFAOYSA-N
-859703B84D851DE3_95AD7880597F3126_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNC(=O)N2)CCOC(N(C)C)=O,ZWTLQVQKMKJQKK-UHFFFAOYSA-N
-87A54EA49122966B_BC84276705D369C4_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C5CCC[N]5N=C6)(=O)=O,NJRSMGVQRQIMFP-UHFFFAOYSA-N
-87E378BA2F60F7C4_0A8C2D576D6B2729_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(CC(CC(OC)=O)C)=O,CDXSESQMQMCYBU-UHFFFAOYSA-N
-88B13C2FC703F056_E9A10F04299EFA75_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CCNC3)CC(C(C4=NC=C[N]4C)N)(C)C,PKWBAGMGDSZDJF-UHFFFAOYSA-N
-8915E6069110E4C4_146843509BE6CB7A_6029_UN,CCC(O)(CN[S](C2=CN=C(N1CCN(C)CCC1)C=C2)(=O)=O)C3=CC=C(C=C3)Cl,OTTQUUZJDUQFRF-UHFFFAOYSA-N
-897695F634040FD7_16FE38BAE659746D_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=CC3=C([N](C)C=N3)N=C4)=O,JNYWPXYODWHQMJ-MRXNPFEDSA-N
-89CB5EDED02E11B0_6E58E8C4F06CFEEF_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC3C4=C(OCC3OC)C=CC=C4,OLGBBRSHVCBTDN-UHFFFAOYSA-N
-8A56F4A650AAA13F_AEB3EE4F41AA4B4C_6003_UN,O(C1=CC(=CC=C1)N2CCC2=O)C4=CC=C(C(NC3=C(C)C=CC(=C3)C(=O)O)=O)C=C4,ZWRCFJCTZLXZBG-UHFFFAOYSA-N
-8B24FF5FC4259D1E_25B789BED8A3C646_6029_UN,CC(C)CC1(CCN(CC1)[S](C2=CC=C(P(Cl)Cl)C=C2)(=O)=O)C,FIJWMTNBMXCPMW-UHFFFAOYSA-N
-8CFF180EA1C28338_42A9C943A6EFF89C_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC3=CC(=C(C(N(C)C)=O)C=C3)C,CZOGBELQUHANCV-UHFFFAOYSA-N
-8DA2B12C62896DC4_1D99834353AA803A_6038_UN,CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=N[NH]3,DRJLDDHYVQSVEI-UHFFFAOYSA-N
-8EBC4E9D85846E45_17DD1AB8D7A70419_7019_UN,C(CC(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(C(=C(O)C=C3)O)O,RRLCOHKYGPHPJM-UHFFFAOYSA-N
-8FE1620B1A9CBA43_7571CCE0E4055A5F_6038_UN,CCCC(NC(C(CC(C1=CC=C(OC)C=C1)=O)C)=O)C(=O)N(C)C,QKCOUTJMPFZMQZ-UHFFFAOYSA-N
-90F1037936601089_6232C4E56743E3C9_2875_UN,C=CC(=O)NCC[N]1N=NC(=C1)C2=CC=C(N(C)C)C=C2,QEJZDYMQXFRZIP-UHFFFAOYSA-N
-91BEB46DB7283C0F_E96D05C537E8CF42_6029_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=C([N](=O)=O)C=C3OCCOC3=C4)(=O)=O,LWUMTFARFHSPGZ-UHFFFAOYSA-N
-92BED85C69526036_A1364725104B83B8_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C(C)[N]3C=NN=C3N=C4)=O,VSJIZDBRRNYOMG-AWEZNQCLSA-N
-936C214E8F593F1D_720AF021A5FEC8D0_6029_UN,N(CCC2CCN(CC1=CC=CC=C1)CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,FAWOLJBYVXYWGZ-UHFFFAOYSA-N
-962890A4A30D1D94_B8C0E584BEE274FD_6029_UN,N(C[C@@H](O)C1=CC=CC=C1)[S](C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)(=O)=O,TWSQZKAOWWECJN-HXUWFJFHSA-N
-965624C271B7D825_56FE3552F016BDA0_6038_UN,CC1=NC4=C(C(=C1)NC([C@@H]2[C@H](N(C)C(C2)=O)C3=C([N](N=C3)C)C)=O)C=CC=C4,IKRKSASTUVCQCE-YWZLYKJASA-N
-9782700658022BF4_5C50C55A3F3A060F_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C4C=C(C#N)C=C[N]34)(=O)=O,VAYPZUWIYCQEEY-UHFFFAOYSA-N
-97D636ADC24DA75D_E52D24F2A7C1C1BC_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC4=CC3=N[N](C(=C3C=C4)C)C,XNPACXZUCLDFIM-UHFFFAOYSA-N
-9914EAE03CDDECF2_D12DF3C1CD9A57D5_7022_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)O[P](=O)(O)O,XSWNGYKFNQNZQD-UHFFFAOYSA-N
-999187A392967B68_AA584FE5F4F95F39_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=NC=C(C=C3)Br,WSYHIXBRNQXRJM-UHFFFAOYSA-N
-99A88D6CDE0AA816_E8098122FD8B25E8_6031_UN,O(C(=O)C1=CC(=CN=C1)N2CCCC2=O)CC4=CC=C(N3CCN(C)CC3)C=C4,KGLDREZHAIJOPE-UHFFFAOYSA-N
-9D7F3D672333F334_554C015955B26B80_6038_UN,CC2=C(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)COC2=O,FJFLOMGPZXTZSC-UHFFFAOYSA-N
-9E3871ED21C4B1F3_2A6CF924750FBFF4_6038_UN,C[C@H](NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)CCCN(C)C,YMXZJCBCTXVQSX-AWEZNQCLSA-N
-9E44359590E0E484_BEB24CFA60550F9D_6038_UN,COC1=NC(=C(C=C1)NC(C3=CC2=C[N](C)N=C2C=C3)=O)N4CCN(CC4)C(=O)C,NKEAAHQQMNRUOJ-UHFFFAOYSA-N
-9F8B9303E7071522_6792828C7ED5629E_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=C([N](=O)=O)C=C(S4)[S](=O)(=O)Cl)(=O)=O,VNSWKUPTAGGNNM-UHFFFAOYSA-N
-9F8C50F9F5B3B9D6_A6D1659BDBEA1079_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CSC(=N5)N6CCSCC6)(=O)=O,ZWXSGGIAOCTBBK-UHFFFAOYSA-N
-9F9D6996C6093C9F_DFB49FDF1F7621FD_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=N[NH]C(=C3)C)=O,VBDIRDGNCRHAHZ-UHFFFAOYSA-N
-A1F4E3390B62F25C_48535A04869C2E29_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C(CBr)C=C2OCOC2=C3)(=O)=O,OWUYRRFUKPICGG-UHFFFAOYSA-N
-A48049C3480D41F1_A17512EFEE00FD29_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC=C(OCCN(C)C)C=C2,HMHVXLGBVWHEQH-UHFFFAOYSA-N
-A52813FB5F28C0E1_292D7C49D46BC34C_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NN=C([N](=O)=O)[NH]2)(=O)=O,TZTMHEOHONNFHN-UHFFFAOYSA-N
-A7B634335081F6DB_90B1B7CFCC56CDBB_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C(SC)N=CC=N3)=O,HKZXETDFQDUURQ-UHFFFAOYSA-N
-A98478E956EE3D3E_8FA8B35F68EFA2B6_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=CN=CC3=C2[N](C)C=N3)=O)C=CC=C4,IZFQGGNOQFTQGQ-BXUZGUMPSA-N
-A9ED307E0006E9F5_0D4ECDDBE0BE5AC4_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(C)N=CC(=C4)[N](=O)=O)=O,UFMXCAHUMBSJAV-UHFFFAOYSA-N
-AB4DB083377C495A_220A92087CDF204D_6038_UN,COC(=O)C1=N[NH]C=C1NC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O,VSOHENWRNBKIAS-UHFFFAOYSA-N
-AC8ED4586A9DE165_87169C1916EC473D_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,UQZLATFLVTUHDB-UHFFFAOYSA-N
-ADB3B5454C93F480_FEEE5400EF13AA64_6038_UN,CC(C)[C@H](NC(C1(CCN(C)C)CC1)=O)C2=NC=C[NH]2,JCTJREOWJHLPCE-LBPRGKRZSA-N
-AE9821DCD18E5DC3_D080D2196B0E10D6_6038_UN,CN(C)C1=C(C=NC=C1)NC(C2(CN(C)C(CC2)=O)C)=O,JSRLLXBEWAFABV-UHFFFAOYSA-N
-AF0CCAC58B7FC00F_4840CAF15646B093_6005_DP,OC1=C(C=C(C=C1)C2=CC=C(O)C=C2)C3=CC=CC=C3,FEYGNNMKEPUKEI-UHFFFAOYSA-N
-AF49F03EA19BE3FE_44C9951A63943E55_6038_UN,CC1=NC4=C(C(=C1)N3CCC(OC(=O)C2=CC(=CC=C2)[S](=O)(=O)F)CC3)C=CC=C4,MJBGTZOWWDOSQT-UHFFFAOYSA-N
-B007E8BC33294C30_50331F8D9C5A287A_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C(CCl)C=C3OCOC3=C4)(=O)=O)C,HLYUFHUZDAGQHS-UHFFFAOYSA-N
-B1649717E723FFEA_D066703FBF712227_6038_UN,CN(C)C1CCN(C1)C2=C(C=CC(=C2)NC(=O)C3=N[NH]C=C3F)C,HLICTVTVWDKILA-UHFFFAOYSA-N
-B326F0838F3855E4_89E7919594EAAA68_6003_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,YIFNRVMCXXXXGU-UHFFFAOYSA-N
-B3E2E5167FBB4E4E_36BA82462B73116A_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,SCXZJHDYPOZHIH-UHFFFAOYSA-N
-B44AE9AD9B017EC9_454B8C9194CFA97E_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C=CC(=N3)F)(=O)=O,MTRVYCZLEHXIDT-UHFFFAOYSA-N
-B535BE4D19226026_EA2D43FCAFCAC87C_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=CC=CC(=C1)[N]2N=C(C(O)=O)C=N2)(=O)=O,FGKKSZMFLIOGBY-UHFFFAOYSA-N
-B55E2F45D2524D2C_A35801691E05BA30_6038_UN,CCOC(CNC(C1=CC=C(C(OC)=O)[NH]1)=O)CCN(C)C,NVVWATXBGMQGAM-UHFFFAOYSA-N
-B5D1965F74505DB4_60D17A9D00FDF261_6038_UN,CC[C@H](C)[C@H](NC(C(C)(C)C1=N[NH]C=C1)=O)CN(C)C,BXFAKVFTSWTECA-NWDGAFQWSA-N
-B798F6AA474D0DDE_FC455D22D59C0170_6038_DP,N(C1=CC=C(C=C1)OC3=C2C=CC=CC2=NC=C3)C(C4=CC=CC(=C4)O)=O,ZISBGFBZZRDRQC-UHFFFAOYSA-N
-B84F44C13FFCE2FA_09016A181DC1F35E_6038_UN,N(CC1=C[NH]N=C1C2=CC(=CC=C2)F)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,USDVMCURIJUVLC-UHFFFAOYSA-N
-B8791F62D0BA6EA8_27B83817443B022A_6041_UN,C1(=CC=C(C=C1)C2=NNC(C=C2)=O)NC3=C[N](C)N=C3C(=O)N4CCCC4,KVDOFXDPZVILRG-UHFFFAOYSA-N
-BACDE527C445F07B_4A7132819DA6CB45_6029_UN,C1C(CN1[S](C2=C(F)C=CC3=C2OCO3)(=O)=O)OC4=NC=CC=N4,RDFTWRFLUZUVKK-UHFFFAOYSA-N
-BD586CC85B2FD83F_204B3628F5FD00B8_6038_UN,CCOC(=O)C1=C(C=CC=N1)NC(C2=N[NH]C(=C2)CCCCC)=O,MEDDAIUBHJKBOL-UHFFFAOYSA-N
-C004ADD2E9386F07_A57A60E63E7B9023_6038_UN,CN(C)C(=O)CC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,UQQMIJWPVWOAGQ-UHFFFAOYSA-N
-C047871B23481ED9_E1A19B650571C43E_6041_UN,OC(=O)C1=CSC(=N1)C2=CC=C(C=C2)NCC3OC(OC3)=O,FFRVPMKMNNWTOH-UHFFFAOYSA-N
-C373F502D9EDC440_35D5EBDF9992FA99_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(OC)C=CC(=C3)O)(=O)=O,RJJLCGPXVQKSQE-UHFFFAOYSA-N
-C3C308EEA3238FDB_090402CF8D759B21_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC(=C(N(C)C)C=C3)C,UJTJHZZLOBKCBS-UHFFFAOYSA-N
-C3C9B7708E2B1802_7F67789C119431AE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NCCC3=C(C)C=CN=C3,DHGVSIISLVULPS-UHFFFAOYSA-N
-C4AA5E9974ED4A8C_22ECB7F95601AB54_6035_UN,O(CCN1C(=O)CCC1=O)C2=CC=C(C=CC(OC)=O)C=C2,WAWNWVJLXQKXGZ-UHFFFAOYSA-N
-C5034F679F7BDC2A_0A40163349E388CF_6006_DP,OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(O)C=C3,URUQOTZERWFMJD-UHFFFAOYSA-N
-C7113565C719ABAA_1527FF8E13D3F049_6041_UN,CC(=O)CCCOC1=CC(=C(C=C1)NCC2=CN=C(N(C)C)N=C2)C,XLNZLLWMHXODFA-UHFFFAOYSA-N
-C78167913DBAE717_560E9CB9F4696872_6038_UN,CC1=C(C=CC2=C1OCC2=O)OC(C3=N[NH]C(=C3)C4(C)CC4)=O,VIZWNOVVMLIWNS-UHFFFAOYSA-N
-C7FDA8714FF07036_BF0207403206A08C_6041_UN,OC(=O)C=CC2=CC(=C1OCOC1=C2)NC3=CC4=C(C=C3)OC(=C4)C(=O)O,LZMWWZPVPHLLEG-UHFFFAOYSA-N
-C93998D5742596E0_B4F3148D1A5BC19F_6038_UN,CCON(C)C(=O)CNC(CCC1=CC=C(C(OC)=O)[NH]1)=O,XTSFBPNXAABVSU-UHFFFAOYSA-N
-CBD0468C25D920E3_6E528702491EE086_6038_DP,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C(C3CNC3)[NH]N=C4)=O,NOBHPEVANLFERW-HNNXBMFYSA-N
-CD5AE812DB8B06BD_17542711AF92A152_6029_UN,CC3=CCC(N[S](C1=CC=C(C=C1)OC2=CC=CC=C2)(=O)=O)CC3,SKUKKDFIDYWSKR-UHFFFAOYSA-N
-D1B6D02EC9313D94_D0E870310D0C0AAE_6003_UN,CCC3=C(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C(=O)CC3,XHFQBEOAXMOMGX-UHFFFAOYSA-N
-D8FAF13A93A3E946_9AAEE3120D38FEEC_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C=C(C(=C3)F)Br)[N](=O)=O,ZRKVKWROCREXNC-UHFFFAOYSA-N
-DA3B24CE6635B3E6_796970FE947BC43F_6038_UN,COC(=O)N(C)CCNC(CCC1=CC=C(C(OC)=O)[NH]1)=O,KUSIGELVRJNPGE-UHFFFAOYSA-N
-DB6DB8951356BA7A_76636C75FDBE984A_6029_UN,N(C[C@@H](O)C1=CC=CC=C1)[S](C2=CC=CC(=C2)C(C)=O)(=O)=O,AUWKJXLQNRPEHE-MRXNPFEDSA-N
-DB9563DE0EEBDC4F_827988251C558149_6031_UN,COC1=CC=C(C=C1)C(=CC(=O)OCCN2C(=O)CNC2=O)C,ROBSCFOYRQKURW-UHFFFAOYSA-N
-DD70B7BA9CB7E009_48290194490A4032_6026_UN,[S](=O)(=O)(C1=C(C=N[NH]1)Br)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,KHRMZDKVUKZRNO-UHFFFAOYSA-N
-DEB644C024A7993A_0B8CC0025760BBDA_6031_UN,COC1=NC(=NC(=N1)Cl)N2CC(C2)C(=O)OCC3=C[N](=CC=C3)=O,FZLDMTJKTPDWCA-UHFFFAOYSA-N
-E0FF094B9BD487BD_853442DCD463A262_6038_UN,CC1=NCCN1CCNC(C2=CC=C(CN(C)C)O2)=O,DTDDZECKGKHRQO-UHFFFAOYSA-N
-E4ACD38DC8CB9F97_EDD809B0924681AD_6041_UN,C1(=CC=C(N=C=O)O1)NC(CC2=CC(=CC=C2)S)C(=O)O,KOSDIZRFDRQBOL-UHFFFAOYSA-N
-E4EEF6E91565DF5E_BD40C32F4678203C_6038_UN,COC1=CC=C(C=C1)NC(CCCN2C(CN(C)C2=O)=O)=O,CKXMOEDGORHKBM-UHFFFAOYSA-N
-E5B94AF00C806ABF_49D460E9D34545C6_6038_DP,CSC1=C(C=CC(=C1)F)NC(C3ON=C(C2CNC2)C3)=O,ISSXZIJCLISYDB-UHFFFAOYSA-N
-E69705CAE6D215D9_D6D234A20F0ABD0D_6038_UN,COC1=CC2=C(C=C1)OCC[C@H]2NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,XNSHIAUEJNUQHG-OAHLLOKOSA-N
-E870C3239F06029A_878835D67995216B_6029_UN,CCC1(CN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O)F,PVVKYGGUKVMQNT-UHFFFAOYSA-N
-E8943A59D17B0351_A959D395FC11B9BB_6006_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)C2=CN=C(C(C)(C)C)C=C2,REZPMFJRSYTYGE-UHFFFAOYSA-N
-E906A213982B332F_0F35C7529B47C5EA_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC2=C(C=CC(=C2)C)O[Si](C)(C)C(C)(C)C,OQHUQYHZVSCLIB-UHFFFAOYSA-N
-EA4B0CFBE2EF82C0_DC0CE7BCE0B82659_6029_UN,FC1CN(C1)C2CN(C2)[S](C3=C(C[N+](CC)(C)C)C=CC=C3)(=O)=O,HXZYEXOBKKYNRJ-UHFFFAOYSA-N
-EA9F81463FFA192E_9C20C2873411A4A3_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C[N](N=C3C)C4=NC(=CC(=N4)C)C)=O,TVAAFYPSIZGZJW-UHFFFAOYSA-N
-EC922DB1D520ECE3_6B53B31A9EF74CB2_6038_UN,CC4(C)CC(=O)C1=C(C(=CC=C1)NC(C2=CC(=NC=C2)N3CCN(C)CC3)=O)O4,XPANOQCSJLYGEY-UHFFFAOYSA-N
-ECB0D0D03D821457_2F20C80CEA7A6894_7009_UN,N([S](=O)(=O)C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[CH]=[C]3C[CH2]C3,DJERANZCLGODLL-UHFFFAOYSA-N
-F06D4392129646B7_7EB735DA05B28524_7019_DP,N1CCN(CC1)C(=O)C=CC2=C(C=C(OCCC)C=C2)C,WUFWRXXYLXPRJQ-UHFFFAOYSA-N
-F0DEBD4B13721FF7_AD4F3AB76A394B97_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,RMKMQYSUGJNKFT-UHFFFAOYSA-N
-F10A61B6F1B42EB1_66708E8A4AF57C72_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OC)C=CC=C2F,DVNPHPDVBRUDLT-UHFFFAOYSA-N
-F28B5D020A8213D3_387AEAD56BEC94C3_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3C[N]2C=NC=C2CC3,SGCWSYHHMZOLEQ-UHFFFAOYSA-N
-F2EB72F471D6AD44_632F34772CFA5486_6038_UN,COC1=NC(=C(C=C1)NC(C2=CC=CC3=N[N](C)C=C23)=O)N4CCN(CC4)C(=O)C,DNMPETNZFOMRSQ-UHFFFAOYSA-N
-F5EB2C1B3C8FA247_0B3A352C12D9CA1A_6041_DP,N1CC(C1)(C#N)C2=NC=C(C=C2)NC3=C([N](N=C3C)C)C,LPYRFPVVMVLIIV-UHFFFAOYSA-N
-F611C2BB18EE685B_5502966D2CD98BE0_6029_UN,COC1=CC=C(C=C1)C(=O)CN[S](C2=CC=C(C=CCO)C=C2)(=O)=O,KEPIBLGTLXEPAM-UHFFFAOYSA-N
-F712841339F455D2_40161C5CC62EE037_6041_UN,CSC(C(=O)O)C1=CC(=CC=C1)NC2=CC(=CC=C2)C4=NC3=C(C=CC=C3)O4,URIKISVYQMTZFY-UHFFFAOYSA-N
-FBF7A2EF2CCD07D0_352F8FC21E7BFF68_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O,QETIUFCZSSYRHU-UHFFFAOYSA-N
-FBF7A2EF2CCD07D0_E0CB4313219C6350_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O,QETIUFCZSSYRHU-UHFFFAOYSA-N
-FD685F418C30B805_A3C9D0F8780DB4EA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(CC3(C)C)C#N,HOQPMCSHFJOUIS-UHFFFAOYSA-N
-FDCCC582BDD19F42_172C3FC5DB21A490_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=C([S](N(C)C)(=O)=O)C=CC=C4F,WVMLYDPTHHCPAD-UHFFFAOYSA-N
-FE71A6564B52FDC6_054EFC608AFE9D44_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=CC(=C(F)C=C2)F)(=O)=O,AYWIIHDDDPRLMI-UHFFFAOYSA-N
-FFE16391B6CF99B8_13258236B927B384_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,XNSHIAUEJNUQHG-HNNXBMFYSA-N
-rxn:1:41547:9232,Cc1ccc(Br)cc1-n1cc(COc2ccccc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)nn1,ADAFUWBZWKWTQP-UHFFFAOYSA-N
-rxn:1:63230:247,COc1cc(N2CC(Cn3cc(C(O)c4ccc(OC)c(B(O)O)c4)nn3)CC2=O)c([N+](=O)[O-])cc1Br,MPRUAMFXUMUVAV-UHFFFAOYSA-N
-0087C055EA2B3B2E_1120200045E1EE80_6041_UN,C[P](=O)(C)C1=CC(=CC=C1)NC2C3=C(CC2)C=CC=C3,IUVLCYKBQRSFSK-UHFFFAOYSA-N
-0315C55C68BC5906_C16CBF2606D3848D_6038_DP,CC(=O)C3=C(OC(C1(COC)CNC1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,WNSVIKDTQLAQSW-UHFFFAOYSA-N
-072A9CF023B65449_DABD25081A46A886_6038_UN,CC2=C(OC(C=CC1=CC=C(C(N)=O)O1)=O)C(=O)CC2,BLVUVDKPWQYFFZ-UHFFFAOYSA-N
-0B5A699B29836BBD_F5AA0F38E4262FE0_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CN3C(CC(C)(C)C3=O)=O)=O,KWKJFUOJJHZPLZ-UHFFFAOYSA-N
-0E48142A57A7C93F_EF073051BC8DF72D_6038_DP,CC1(C)CN(C1=O)C2=CC=C(C=C2)NC(C3CN(C)C(CN3)=O)=O,TYWKPRJGGKSTAG-UHFFFAOYSA-N
-14FFC391E4C0BE37_81EF70E2AF74DA80_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(NC)CC3)=O,MQQWWEWDCAJQEK-UHFFFAOYSA-N
-1511EB9DE0AD14FD_201CE92A2670050E_6028_UN,N(CCC1=C(C=C(C=C1)Br)Cl)[S](C2=CC=C(C=C2)Cl)(=O)=O,VXHHQZZUCGRFKP-UHFFFAOYSA-N
-1525BC2242C6D57C_52FE1D760B9522D2_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC(C)C2=CC=C(C=C2)N3CCN(C)CC3)[NH]4,IUIOPVUEBZDOSS-UHFFFAOYSA-N
-1A13F334384D014B_61E0C775DE08FD37_6028_UN,N(CC1(CCOCC1)C2=CC=C(C=C2)Cl)[S](C3=CC=C(C=C3)Br)(=O)=O,HISWWSRWALZKCU-UHFFFAOYSA-N
-1A4EF08ADB5AEA0A_6117C2F4C8226C72_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(OC)=O)C=C2)C)=O,PQHDGJWMNAPUPA-LLVKDONJSA-N
-1AA322D1FF8D6221_D548F1B5367F112D_6028_UN,N(CC1(CCOCC1)C2=CC=C(C=C2)Cl)[S](C3=CC(=CC=C3)I)(=O)=O,FXWBGEMOKHTRCK-UHFFFAOYSA-N
-1BDA3EEF37AB6DA9_6891725FC2692988_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)=O)CCNC3)=O,NBVNOPNLILUOEX-UHFFFAOYSA-N
-1C36C18304575403_32C5F7A7C619EC4F_6038_UN,O(CC#CC1=CC=CS1)C(CCCN2C(CN(C)C2=O)=O)=O,FJAWMUSKMKEHKE-UHFFFAOYSA-N
-1C7EAADF408D030D_45D87F5114B76C9F_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=CC=CC(=C3C=C)F)(=O)=O,DFHYIHCRWMKPTG-XJKSGUPXSA-N
-1C85E2015BD66D6A_3BCC1B2C6DA80DAE_6035_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=C(C(CC(C(OCC)=O)=O)=O)C=CC=C3,IQMJTGRTCYJZMU-UHFFFAOYSA-N
-1DCA09D7C2416A92_F7852BC105BE3F62_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)N[C@@H](CCC)C(=O)O,MFLJQVCQDZVZLL-KIYNQFGBSA-N
-1F7BDE665E13D762_84F8723483DE1A23_6029_UN,N([C@@H]1C[C@@H](C1)C#C)[S](C2=CC=C(C(F)CBr)C=C2)(=O)=O,UUAXSVKRUDWPEF-HEWKSLEDSA-N
-2128DDB9C4D4873D_4EB6DA1A3D01D16A_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=C(C=CC=C2)Cl)[N]3CC4=CC=CC=C4)(=O)=O,IICKRMVPESYVBT-UHFFFAOYSA-N
-21418F349120CCB2_B830CA19D6F67092_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C2=CC=C(C=C2)CC3CC3,WWCQVDWDUHUPGU-UHFFFAOYSA-N
-218175EE81A08F61_DABCE4981CAD9EA9_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@@H](CCC)CC(=O)O,YCFCQKPBDZJZLY-NSHDSACASA-N
-22F9BA074AB08E36_331F24346D0941CB_6006_UN,CC(C)(C)C1=NSC(=N1)C2=CC=CC3=C(N(C)C)C=CC=C23,CPXDNEAXBFPBED-UHFFFAOYSA-N
-2390E3263F8CDA5D_D46D37CEDBB8BFCC_6029_DP,IC1=C(C=CC=C1)OC2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,OXSIXOXTZMEFFY-UHFFFAOYSA-N
-2405D3132502AE0C_7AD69211C152EF64_6038_UN,CC1=CC(=C(C=C1)NC(C3=CN=C(N2CCN(C)CC2)S3)=O)[S](=O)(=O)O,YVIHGNZALJQEAY-UHFFFAOYSA-N
-2666B8716153BC20_1AF15A84E995AE0E_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)N)C(=O)CN2CC(=O)NC2=O,CINFBCJFEIOYOI-UHFFFAOYSA-N
-27BE0F155EDCB2EC_EF4B43EE14C32AC3_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=C(CC(OCC)=O)N=CC=C3)=O,WJTAEWMZXGTLKY-UHFFFAOYSA-N
-289FF41997F3F5AB_D8C9AEF98EB1A842_6038_UN,O(CCOCCN1C(=O)C=CC1=O)C(C2(C(N(C(C)C)C)=O)CC2)=O,CFPRNLYZNPXKBU-UHFFFAOYSA-N
-2A328AEDEA9B405F_63F8DEE17BA92255_6039_UN,O(C1=C(C=C(C=C1)OC(F)F)F)CC2=C(C(OCC)=O)CNC(N2)=O,VIYHERZRLNPSHP-UHFFFAOYSA-N
-2AB4C1B9ECD0910C_EE5C078878C79EB2_6038_UN,COC1=C(C=C(C=C1)C(=O)CNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,NRBLPBFPENVYKB-UHFFFAOYSA-N
-2C8ABCC3A9FA5C7B_3391356C3D713E72_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCC(N(C)C)=O)=O,RXEOPDNLEAUWAB-UHFFFAOYSA-N
-300074E59D58474E_04ED7588BE1277D2_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NCC(SC)C(C)(C)C,RQZYKCGFMNJUGJ-UHFFFAOYSA-N
-3073DFC51BCE8BD4_5CDE2B4B4A4912E7_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,KSXFYRHGLUGXAL-UHFFFAOYSA-N
-318E8F1294B890A2_F3C4DD61C208BFD3_6029_UN,C1CN(CCN(C1)[S](C3=CC2=C(C=C[N]2[Si](C(C)(C)C)(C)C)C=C3)(=O)=O)C4=NC=CC=N4,RTRBYJMQVNKCLE-UHFFFAOYSA-N
-32FF67ADCD387913_2092A3904C8CFD15_6036_UN,CC3=CN1C(=NCC(C1)N(C(C)=O)[S](=O)(=O)C2=CC(=CC=C2)Br)C=C3,GKXOGCOSNUDFMK-UHFFFAOYSA-N
-3309BE220292AEEE_E582DA81E712FF16_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CC(C)(C)CC2)C#N)[NH]N=C3,GDQHSLSGYSEMDR-UHFFFAOYSA-N
-335547408E85EED0_871A3E6DBC505E9A_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3=C(CCC)C(=C([NH]3)C)C(=O)C)=O,KONWRLJDDCVFDD-UHFFFAOYSA-N
-3371E9633C83A3B4_184B254C6C5B9201_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=CC(=C2O)OC)C,DZERUZZBHXWTAR-UHFFFAOYSA-N
-357C62211E00E4A5_CF1EC79E733D3721_6039_UN,CCOC1=C(C=CC(=C1)C=CC(=O)O)OCC(=O)N2CCNC2=O,WUKKEFIRLGHCJB-UHFFFAOYSA-N
-3662F809B32DE9F0_C751B706352D6D96_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N(C(=O)OC2=O)C3=C(C(OCC)=O)CNC3=O,URWVQRKPXFWLKW-UHFFFAOYSA-N
-36895A62DE4B125E_1AC7B7A90165628E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(=CC2=CC=C(OCC)C=C2)C#N)=O,RDEOIPGAGNEKEC-AWEZNQCLSA-N
-36A915B92E521DA2_7D857FD9A1A6FD27_7015_UN,N(C1=CC(=CC=C1)C2CCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,SUIFDFSQSVFWBC-UHFFFAOYSA-N
-36E6E9F4C50823E0_899EA83C367B7B01_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(F)F)(=O)=O,BTGVHUKUXIWYOC-UHFFFAOYSA-N
-3715757F9401A39B_F4D9CF36335F229C_6029_UN,FC1CC2(C1)CN(C2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,YSWNRJKWAVWBSZ-UHFFFAOYSA-N
-374D531ECA2B6EC4_A06EFAC57B491675_6041_UN,F[S](=O)(=O)C1=C[NH]C2=C1C=CC(=N2)NCC4=C(N3CCCN(C)CC3)[N](N=C4C)C,KHVPQDBKZQNYJP-UHFFFAOYSA-N
-384C30C58125DCF2_CBE3B68607C4C196_6038_UN,CC2=C(OC(C=CC1=CC=C(C(N)=O)S1)=O)COC2=O,OGNOZQLDFBXRCS-UHFFFAOYSA-N
-386788E00614A39F_B01AA12ED638079F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C2=CC(=CC=C2)[N](=O)=O,KFEPYHDPGSBMKB-VIFPVBQESA-N
-393AA56A47961F7B_8DB7A3CC13E4139C_6006_UN,N[S](=O)(=O)C1=NC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F,BJIGAQBCVBGTJP-UHFFFAOYSA-N
-3A473F02E8982ED6_22957F2B86479E68_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)C2=CC(=C(C=C2)N3C(=O)CCC3=O)[N](=O)=O,XPAFGPUZPLANMC-VIFPVBQESA-N
-3B7A169F5506DD3F_BACDADCA11F98CB2_6029_UN,ClC1CN(C1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,PNWFZSSARREQPU-UHFFFAOYSA-N
-3C264455B699F8AB_D75E67E1906C6B42_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC=C2)OC(F)(F)F)CCN3C(=O)CCC3=O,VWMGGFSWCBQUSZ-UHFFFAOYSA-N
-3C2F9FEA48B48437_B0A6561734A7FFD7_7022_UN,COC(=O)C1=CC(=CC=C1)OC(COC)C2=CC=CC=C2,LKVNZIQBRSIHTM-UHFFFAOYSA-N
-3D1C4EADC57F370E_6082016A74AE8E12_6041_UN,C1(=N[NH]C=C1C#N)NC2=CC=CC(=C2)C[S](C(C)(C)C)=O,CSYUDQPNEUZKPA-UHFFFAOYSA-N
-4067A4B6C21EB779_929EBCD852C086D1_6038_UN,CC1=C(C=C(C=C1)N2C(=O)CCC2=O)NC(C3=CC(=C(OC)C=C3)C4CC4)=O,SCROZWCSGKGBAM-UHFFFAOYSA-N
-41639187F0B52976_B0A2CDA9F3BCA07C_7015_UN,N(C1=CC=C(C=C1)C2CCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,YJOHLBZECYPZMU-UHFFFAOYSA-N
-438532A0E6052D0C_8D8BB4EB180A4255_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C(=N)NO)C(=O)C=CC2=CC=C(C=C2)C3=CC=CC=C3,IOSGDTYKWWNBRX-UHFFFAOYSA-N
-43B5FC5E3814C14F_EABE202C2751E0FA_6038_UN,CCOC1=C(C=CC(=C1)C)CNC(CN2CC(N(C)C2=O)=O)=O,PJWOCSMWMICYGL-UHFFFAOYSA-N
-44789AECFAC6EBC7_179961DD950C7E85_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C3=C(CC(OCC)=O)N=CC=C3)=O,PKBWGDOUXBGFQT-UHFFFAOYSA-N
-45DEDE491E3D24BD_31C5D5C137263208_6038_UN,C[N]1C=NN=C1C2=CC(=CC=C2)NC(C3N(C)CSC3)=O,QRAKKYDMMAVKKM-UHFFFAOYSA-N
-45F4BBAE60217251_F5ED9725C6E8CDD9_6039_UN,CC(=O)C3=C(OCC1=C(C(OCC)=O)CNC(N1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,RLZPIXZPXGXJFJ-UHFFFAOYSA-N
-461D9C5DC415B08A_49A911381317175D_6029_DP,CC(N(O)[S](C2=CN=C(N1CCCNCC1)C=N2)(=O)=O)C3=CC=C(C=C3)F,BEEDCCJLTAJHNM-UHFFFAOYSA-N
-46E8CF31306D87E6_42F8BF397EE52EF1_6031_UN,CCC(=CC(=O)OCCCN1C(=O)CNC1=O)C2=CC=C(C=C2)OC,LBRHGNVUYZFNAG-UHFFFAOYSA-N
-470449155F28383C_219B43BEF0D949A0_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C([C@H](OC)C3=CC=CC=C3)=O,DLBIGKBTTBHVBA-QGZVFWFLSA-N
-474155E073D87043_D460CF43243EC10E_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=[N](=O)C=CC=C3)(=O)=O,UMDLYZADCGSEIZ-UHFFFAOYSA-N
-487C7B63A618FCB9_833D2DF0A44B2CF8_6038_DP,C[S](=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(C3CCCNC3=O)=O,BITJAKDONVWOGS-UHFFFAOYSA-N
-494BEC92DF47E396_4DAC95E4DA823694_6003_UN,CC3(OC2=CC=C(C(NC1=CC=C(C(O)=O)C=C1)=O)C=C2)CCC(=O)CC3,MSMSXISYPFVGNY-UHFFFAOYSA-N
-49E0FE7B8E3B30CE_14216BA7853DA9B4_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4(C3=CC(=CC(=C3)C)C)CC4)=O,MBZWDXLFKLPAGI-UHFFFAOYSA-N
-4E9686E4C4AC0C84_B9D7AB312DF17E33_6029_UN,N(CC1(CC(F)F)CCC1)[S](C2=CC=C(CC)C=C2)(=O)=O,LEVOJTDRXCAIAR-UHFFFAOYSA-N
-50B295D3B6B7D274_DFE9AD27A5C5F1B5_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)C(C)(C)C,KFLSJMUMKLMUAE-UHFFFAOYSA-N
-50CCAC6C14335147_7AEC790A1BB6734B_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3CC34CCOC5=C4C=CC=C5,NRUVHEGYJCLDSS-UHFFFAOYSA-N
-5386C605FFC1FF8C_CA9FF26DFA2535EC_6038_UN,CN(C)C(=O)C1=N[N](C)C=C1NC(C3=CC=C(N2CCN(CC)CC2)C=C3)=O,KQJLIGJZUWVLMZ-UHFFFAOYSA-N
-5389EAB418C05C41_9A8DED0E0C6A4A7F_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,NGYXORXOCDZXDZ-UHFFFAOYSA-N
-54A766C96AF21503_5B675C2A6DCA845A_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC(CC)C3CC3(C)C,NVJCYMFKCAIKIT-UHFFFAOYSA-N
-56143368B9ADF108_BCC11081CF8872EB_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3([S](C)(=O)=O)CC3,LNYVSIHJVLCQKS-UHFFFAOYSA-N
-56DB813D40214837_413C02FD4415963B_6003_UN,O(C1=C(CNC1=O)C#N)C2=CC=C(CC(OCC)=O)C=C2[N](=O)=O,MKIGVHDQNHLBDN-UHFFFAOYSA-N
-57D29FE8BED9C269_4D53F6F420241CA3_6038_DP,CC(=C)C(=O)C1=CC=C(C=C1)OC(C(C)=C2CNC2)=O,FFDHIZOEFQGDRP-UHFFFAOYSA-N
-58810B038FA093CD_2FC16065EFB896C8_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=CC(=C(C=C2)Cl)Cl)(=O)=O,YGISKEJJZRYKSC-UHFFFAOYSA-N
-593F94C9DB6253CD_1F1E03338A8DFBC2_6038_UN,CCOC1=C(C=C(C=C1)OC)NC(=O)CN2C(=O)CCC2=O,XNUSUTCXNMLINW-UHFFFAOYSA-N
-59723776BED619B1_4E5189BC5B15D1FD_6029_UN,N(CC(CO)C1=C(C=CC=C1)Cl)[S](C2=C(C=CC=C2)C3CC3)(=O)=O,POEONAFCWLGXFN-UHFFFAOYSA-N
-5C2066678BABEC26_F16CFF78498A1E7A_6035_DP,N2CC(=C(F)COC1=C(C(CC(C(OCC)=O)=O)=O)C=CC=C1)C2,GJLCLYUZMAFWMP-UHFFFAOYSA-N
-5FD73C2B51F39ECC_A73F96B38F361F2E_6038_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C(C3=C(OC)C=C(C=C3)OC4CC4)=O,TXTUELUQPUHGAV-UHFFFAOYSA-N
-6195A64731C2DDF2_AA988A5AFE461E44_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CC(C)CN(C)C)=O,UAZWQHZQQSUZBX-UHFFFAOYSA-N
-6228553CAE462BE6_42F2EAE86EAEF630_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)CO)[S](C3=CC(=CC=C3)I)(=O)=O,RIWYBGRDBSVYCA-UHFFFAOYSA-N
-62A791F96015CFE4_84E80ED09C83991E_6038_DP,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(CC(C(O)=O)=C)=O,QQNPHGKGLDXDLM-UHFFFAOYSA-N
-66C43AAF43C61CDF_2087F0720DF72E45_6038_UN,O(C1CCC2=C1C=C(C=C2)F)C(=O)CC3=CC(=CC=C3)[S](=O)(=O)Cl,PGNPZMBWEIHYKD-UHFFFAOYSA-N
-6724AB85693E017B_0759B409837710AB_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3(C(CC)=O)CC3)=O,IYJLNPKBNSELAQ-UHFFFAOYSA-N
-6939903916908766_79A8F5C27BA82CB3_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3(CCN(C)CC3)C4=CC=CC=C4,SZHTYAJXANBEIV-UHFFFAOYSA-N
-6ACF7315B78DBB77_C5F341DF677A3D4C_6036_UN,C1(CNNC1)N([S](=O)(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)C#C,YTZMVCYBOBCEDR-UHFFFAOYSA-N
-6B13B96735B82611_CA3F73F4A456D4E3_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=C(C=CC(=C3)C(C)C)C,INNIRBUSJIJVNE-UHFFFAOYSA-N
-6CD507A7F13D8CDE_814A399748D3F25E_6029_UN,ClC1=NC(=NC=N1)N2CCN(CC2)[S](C3=CC=C(B(O)O)C=C3)(=O)=O,DJVUVQNYTAKTTE-UHFFFAOYSA-N
-6D112E89AB06ACDC_714CFE5606FC4DA9_6038_UN,CC2=C(OC(=O)C(=CC1=CC=C(C=C1)F)C#N)COC2=O,PNUBEGRNFFYQSZ-UHFFFAOYSA-N
-6D3374A5EDBBB09C_61D7B740435CB9AA_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(CN3CCCC(C)C3)C=C4,JESMCYGBYRAASS-UHFFFAOYSA-N
-6D5AB9E5A1D5A20F_625C45F86DABF545_6038_UN,O([C@@H]1COC(=O)C1)C(C3CN(C2=CC=CC(=C2)C(C)=O)C(C3)=O)=O,VPOFDSOYBXZPAN-PYMCNQPYSA-N
-6E374BB007E09F44_D9B7AFAC5B0498B4_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C3(CC(C)=O)CCC3)=O,KHZYYPLVGWXAON-UHFFFAOYSA-N
-6E8E09612B6CF57E_1DEC131DE79D3C46_6039_DP,N1CC(=CC1=O)OCCOC2=CC=C(C=CC(OC)=O)C=C2,UIDWWPDTSQCOOI-UHFFFAOYSA-N
-6EE17E042C9186C3_E0A5A33B91B93777_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)N[C@@H]([C@H](CC)C)C(=O)OC,KCQYZDJIPLETAF-ZBEGNZNMSA-N
-70A60BD74630271D_B26B5D8906AF7125_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3=CC2=N[N](C(=C2C=C3)C)C)C4CC4,CYJTVNPSDSUSNP-UHFFFAOYSA-N
-70C2E975F0C2265B_B6E533E9568F44B9_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)SC4=C2C=CC=C3CCC(=C23)C=C4,NPQYGSFMDMRYRV-UHFFFAOYSA-N
-72064EC70515F7D4_FE20320F85762714_6039_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)CC(NC(NC)=O)=O,UWMNWVCIMPESQK-UHFFFAOYSA-N
-72266EF3255677D2_764AC53B875A08AB_6003_UN,O(C1=C(Br)CCC1=O)C3=CC=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C3,NSTXCNHNLNFQFW-UHFFFAOYSA-N
-734D9020A5EFF68E_9D6A6EA914FE3F29_6038_UN,NC(=O)COC1=CC(=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,SYKSBDPUHZSMGO-UHFFFAOYSA-N
-73851E0F2EA760AE_67426B1BDA37CCCE_6029_UN,N(CC(O)C1=CC(=CC=C1)Cl)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,UBSMZLBRVAYUTD-UHFFFAOYSA-N
-75FC72D8DCBCDF22_630DCE65CA971C85_6029_UN,N(CCC1CC1)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,FSFHFKXFOXXYDW-UHFFFAOYSA-N
-768CB8F26683F2AD_93AECEBF559FDD4B_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZLUVHDYWNYDGAK-UHFFFAOYSA-N
-7CD143C7D60843EE_1B44CB97D2A60FDB_6038_UN,CCN(CC)C1=CC=C(C=C1)NC(=O)C3CN(C2CC2)C(=O)C3,REPZZENZAFMLDV-UHFFFAOYSA-N
-7F477D11FEF82C30_C8A5E6F49F35B3D0_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C[S](C)(=O)=O)C=CC=C3)(=O)=O,CGDQZAPDAJVOJP-UHFFFAOYSA-N
-7F5C9B2348E21E15_A18D31F33986FE03_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C4=C(C(C3=CC=C(CC)S3)=O)C=CC=C4)=O,AOVLGDOTXWFIQY-UHFFFAOYSA-N
-80B28065511EFB85_C81E384D948C14B4_6035_UN,CC(COC2=C(C(N1CCN(CC)CC1)=O)C=C(C=C2)Cl)O[N](=O)=O,DTSNQTVERYKIQK-UHFFFAOYSA-N
-81032B22DB1F7F6C_1CE5EF14E8E08667_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CN=C4C=CC=N[N]34)(=O)=O)C,PENFCLDNBIVCFB-UHFFFAOYSA-N
-81A0C802EFDEDE16_C318BF8CCE0FA810_6026_UN,ClC2=C([N]1C=C(C=CC1=N2)Br)[S](=O)(=O)NCC4=CN=C(N3CCCN(C)CC3)C=C4,RGFIPZMJQQHLOH-UHFFFAOYSA-N
-866EBDDCB636307E_400F5033ED6E8BD1_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(C)CC(=O)C3)=O,SCKPGHRYJCWBHI-UHFFFAOYSA-N
-86AE4D9EBF006577_4852D623E177CA98_6003_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C3=CC=C(C(OC)=O)C(=C3)OC(F)F,JABUISJNAKWDHO-UHFFFAOYSA-N
-8851F283D7AF056C_BB959F5D3BC44345_6041_UN,CC1CCCCN1CC2=CN=C(C=C2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,JIXHOYQYEFNCRT-UHFFFAOYSA-N
-89EB09FDD09DB265_7790E45E1F3AA6DD_6029_UN,FC1CN(C1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,UQLQTVFUNFJFOC-UHFFFAOYSA-N
-8B0D032C0B3C56AB_4927613EC33C276B_6038_UN,O(C1=CC=C(C=C1)OC2CC2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)O)F,VZAXKIVTXNFSJF-UHFFFAOYSA-N
-8D5F2E6067191A40_1A86B8ED9931DA7F_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,DQMLOKIQMOKAOY-UHFFFAOYSA-N
-8E830FBFD467D122_588DB61B6DAFC69E_7019_UN,CCC3CC(C=CC1=C(O)C=CC(=C1)C2=CC=CC=C2)C3,JENSWZUJGGDJDX-UHFFFAOYSA-N
-8F98F3CDB696BBB8_F0C2C79750FBA83E_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CCF)C(=O)O,CBLGTQJTWDNDDA-UHFFFAOYSA-N
-8FAE876765F0E4F5_F2D97EA465861112_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCC(OCC)=O,XCYXVSWBQKVOJZ-UHFFFAOYSA-N
-9014671A73868FD9_4EA9FE43DA3BA46E_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=CC(=C2)OCC)O,XAYIXQHFYYNCQY-UHFFFAOYSA-N
-90BAD3073C969EDF_E25504F6A940C0DF_7019_UN,CSC1=CC(=CC=C1)NC(=O)C=CC2=C(O)C=CC(=C2)C3=CC=CC=C3,FGLHBZAURBMUFV-UHFFFAOYSA-N
-9194D4F3086938C2_C15E0EE0F2B78D18_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(CC(OC)C3)C(=O)O,NHNHAGVUBHQYGQ-UHFFFAOYSA-N
-97CB0B19EF6CC2E7_B136BB36D18D3FBB_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCOC3=CC=C(C(C)=O)C=C3)=O,PAEYUJNAOMRDAC-UHFFFAOYSA-N
-9BC4AA11D0919E00_B4969287C726B796_6026_UN,O=[N](=O)C1=CC(=C(N=C1)Cl)[S](=O)(=O)NCC3=CN=C(N2CCCN(C)CC2)C=C3,LNQDVOKTZOFYSP-UHFFFAOYSA-N
-9E1139C215BC6B95_9AE5A1F679838B0C_6038_UN,O(C1=CC=C(C=C1)N2CCOC2=O)C(C4CN(C3=CC=CC(=C3)C(C)=O)C(C4)=O)=O,WJDVOTMTKJINHA-UHFFFAOYSA-N
-9FD2E59998262E7D_2A78164E1E13AAB7_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=C(N2CC(C)(C)C2=O)C=CC=C3)C#N,FHGRWAFIIPPCRP-UHFFFAOYSA-N
-A087526DFE48437B_E074102E26F3693B_6028_UN,OB(O)C1=CC2=C(C=C1)C=NN2[S](C3=NN=C(C(C)C)[N]3C4CC4)(=O)=O,JPCPCDVGRCNWGI-UHFFFAOYSA-N
-A48FA84C1FC6676F_FE83701544953C5F_6038_UN,O(CCCN1CC(=O)NC1=O)C(C=C(C2=C(OC)C=CC=C2)C)=O,NGVLGMBTLNZEOI-UHFFFAOYSA-N
-A5B76F2F6A3B098A_12EE8B76E9D2D0B3_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC(=C(C(C)=O)C=C3)C)=O,HDTWDRNJWIBOMJ-UHFFFAOYSA-N
-A66F40B005937B28_6439DB7BC5AF6487_6003_UN,O(CCN1C(=O)CNC1=O)C2=CC(=C(C=C2C(OCC)=O)[N](=O)=O)F,HFQZPSMRJKSIIK-UHFFFAOYSA-N
-A6998A45C27BB333_7D762D175B09BDA7_6041_UN,CC(=O)C1=C(SC(=N1)NC2CCOC3=C2C=CC=C3)C,ZCHRUMDHUXKGIU-UHFFFAOYSA-N
-A6B065C2365A5184_9B752AC49E7F715D_6029_UN,N(N1CC2=C(CC1)C=CC=C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,HQZXKUMIOMVYLV-UHFFFAOYSA-N
-A863C60DE835ECD1_D5B272871BC4C2B1_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCN(C)C(=O)C)=O,GWOMPHGEKFGMAV-UHFFFAOYSA-N
-A92C799668DF5EB9_3B922A55228F54AF_6039_UN,CC(C)(COCC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2)ON,LLXKYLNVHWMMOW-UHFFFAOYSA-N
-A9B96586FB73BC82_537E38DE11F394AB_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,DSSZBZCMDZLFHI-UHFFFAOYSA-N
-AB88D0E31118FD0F_BD1CC5A843D3C33D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C(C)N(CC3)C,WFFSTFZBMVTMKN-UHFFFAOYSA-N
-AD50175DF72BC069_708A0A61ED3AE5B6_6039_UN,CC(=C1C(=NC(=C1C)C)C)OCCOC2=C([N](=O)=O)C=CC=C2,ICLPPYQVEUEVML-UHFFFAOYSA-N
-ADD7B840BF7733CB_C6C3B49EC5A26AA9_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,ZWYBETXKDGFRTC-UHFFFAOYSA-N
-AF02959AB9BB43AC_D0A425F8EA52330D_6029_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CC(=NC=C2)N3CCNCC3)(=O)=O,RLQPHWQKRXNJAM-UHFFFAOYSA-N
-AFF4A4BFC028214A_28A4C65AB6C45108_6038_UN,CC1=C(C=CC=C1NC(C(CC)N(C)C)=O)N2C(=O)CCC2=O,XZWPJRGLFVDUJI-UHFFFAOYSA-N
-B2A43599461F6BE3_2D563C632ED71E55_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3(CC(C)=O)CC3)=O,ZCOFKUOXHCPIOF-UHFFFAOYSA-N
-B4A7F6B389137A02_EC40A4AF66576280_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=C(N2CCN(C)CC2)C=CC=C3)[NH]4,YQPLMNABRNNUAI-UHFFFAOYSA-N
-B68842797AB4C987_B6C3ACBB67BF4A83_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NC3(C(N(C)C)=O)CC3,FPDJNAUULRBOSH-UHFFFAOYSA-N
-B6FD22CF7E1A1404_4896E391C0668F01_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2(CC(OCC)=O)CC2)N3CCOC3=O,OJKUVZPDJINLRR-UHFFFAOYSA-N
-B739BEB26D23697A_B72BD6F80906A88A_6029_UN,CN1CCN(CCC1(C)C)[S](C2=CC=C(P(Cl)Cl)C=C2)(=O)=O,YTEAOZQJZRGWGE-UHFFFAOYSA-N
-B83E61A8BBBE1B44_F350F5B37410763F_6039_UN,CCC2=C(OCC(NC1=C(C(O)=O)C=CC(=C1)F)=O)C(=O)CC2,PPCLPKGYNSDBIF-UHFFFAOYSA-N
-B903F6E65F54AD93_F726D5CD921199EB_6003_DP,N1CC(=CC1=O)OC3=CC=C(C(C(C)N2C(=O)CCC2=O)=O)C=C3,MLMXXTBUQZNVON-UHFFFAOYSA-N
-B97A3641BF7BCBD3_A558361FDDDF62E0_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,GUFXTWSDPTXWAJ-UHFFFAOYSA-N
-B98074DEAFF2A9BD_55DEDF1619ADFC96_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC(C)(O)C4=CC=CS4,XEBVKKFHMKRJNS-UHFFFAOYSA-N
-B9F9CF19A0539E4B_74A1834008231C2B_6028_UN,OB(O)C2=C1N(C=CC1=CC=C2)[S](C3=NN=C(C(C)C)[N]3C4CC4)(=O)=O,WOABXXZAUKJLGE-UHFFFAOYSA-N
-BB95E3BFDDD10F5D_78618168C6545428_6003_UN,O(C1=CC3=C(C=C1)C2=C(CCC2)C(=O)O3)C4=CC=C([N](=O)=O)C=C4[S](=O)(=O)Cl,MSGRXDCPJRVGRE-UHFFFAOYSA-N
-BC11793790B03723_0ACFAB6D44ECB137_6041_UN,F[S](=O)(=O)C1=CC=C(S1)NCC3=C(N2CCCN(C)CC2)[N](N=C3C)C,IAHRFQAEBQXIKI-UHFFFAOYSA-N
-BC11793790B03723_43E57251164F5473_6041_UN,F[S](=O)(=O)C1=CC=C(S1)NCC3=C(N2CCCN(C)CC2)[N](N=C3C)C,IAHRFQAEBQXIKI-UHFFFAOYSA-N
-BC9C635AE6D43681_4DB4F1E414E1809E_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(C)CCN(C)C)=O,JKAZPCWMYZMYTE-UHFFFAOYSA-N
-BCB11BBD055CBF3E_0C3F0A4FBDF2A7D1_6038_UN,CN2CCN(CC1=CC=C(C=C1)CNC(CC(C(OCC)=O)=C)=O)C2=O,WHFQGSBJGIXESS-UHFFFAOYSA-N
-BCB5FE94B7E365CD_A9C48EBB13D68878_6041_UN,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)N[C@@H](CC)C(=O)O,VPGJCSQQZCWIQZ-KFJBMODSSA-N
-BD0704154F950490_3D2C85A7783203FE_7019_UN,COC2(CC(C=CC1=C([S](Cl)(=O)=O)SC=C1)C2)C(F)(F)F,BZRSJCOARWDIPF-UHFFFAOYSA-N
-BE6D6165C7DD1D1C_8EA2A2BA183B1B5F_6029_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,DEIDPKBYRROPFL-UHFFFAOYSA-N
-BEC099B05F42C3C3_F19611C9F8E1C4BE_6003_UN,OC(=O)C=CC1=CC(=CC=C1)OC2=CC=C3C(=C2)CC(OC3=O)=O,LPVWXRRXRNPTQY-UHFFFAOYSA-N
-C0464C619C0C8B13_818DFD7B5AB6D288_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC2CC(C)(C)OC3=C2C=CC=C3,OLJCFGNJKSBDQM-UHFFFAOYSA-N
-C22F17C9949E8D2C_4DBA05BF2DC4D594_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)OCC(OC)=O)=O,CRVAQYCFFAAFGB-NSHDSACASA-N
-C22F49E2B109B6DB_DE67B8ED701F94B2_6038_UN,CC[N]1N=NN=C1C2=CC(=CC=C2)NC(C3(N(C)C)CCC3)=O,ASYOHGKBNJNWML-UHFFFAOYSA-N
-C2704E2CC3F7D28A_9D9F08B7BC1958AF_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCC(N(C)O)=O,VLVOKTRCIXMSPQ-UHFFFAOYSA-N
-C34D16E3839AF3B3_C39285F19F9400F5_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CN(C)C(=O)C)=O,UXGJOAHDNLLBBL-UHFFFAOYSA-N
-C57E97379E8494D6_0BABA55C16902DBA_6041_UN,OC(=O)C1=CN=C(S1)C2=CC=C(C=C2)NC[C@@H]3OC(OC3)=O,CNQVOCBIYFHKQQ-JTQLQIEISA-N
-C58FDEF515E3B80A_C1F54721E42C03F6_6038_UN,O(C1CC(C1)(C#N)C2=CC=C(C=C2)F)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,RHOGHIPHPDVZFS-UHFFFAOYSA-N
-C5D98F6B427F0105_960109E6A54F569D_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(OC)=O)C=CO3)(=O)=O,BQSVMFRZBRLERK-UHFFFAOYSA-N
-C60E9CB495903C09_751CDB4DC0715D89_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCC3=C(N2CCCN(C)CC2)[N](N=C3C)C,HBDREHYFNABZAG-UHFFFAOYSA-N
-C902F427023379CB_925484031ADAC429_6029_UN,CC1=CC(=CC=C1)N3CCN(CC(C)(C)N[S](C2=N[NH]C=C2I)(=O)=O)CC3,BJZVCRGBWIEIDQ-UHFFFAOYSA-N
-C9C1DF9104EA93DC_CBC810080A8956D4_6039_DP,COC(=O)[C@@H]2C[C@H](OCC(NC1=CC=CC(=C1)C(NCC)=O)=O)CN2,CXQXIDULHMYPFM-KBPBESRZSA-N
-C9F40A005274F4D7_6E7590B42C2C3FBA_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCC(C)(C)C,NJRUUCIQDLZMED-UHFFFAOYSA-N
-CC7C465002C89BD2_CFA3CF69458EA241_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OCC)C=CC=C2F,ZONCCXZIUMMZDE-UHFFFAOYSA-N
-CC7EDB2BEE895A15_24A8330D711FD9CC_6026_UN,CC(C)(C)[Si](C)(C)[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N3CCN(CCC3)C4=NC=CC=N4,AFMYNMNGFGMZLA-UHFFFAOYSA-N
-CD7BFF64092AE846_0B5B9BBC7EBD5D1B_6038_UN,N(C1=C(C=C(C=C1)F)F)C(C=CC2=CC=CC(=C2)OC)=O,IRBDCCRGESGOKG-UHFFFAOYSA-N
-CE52BA8089C4841D_205A4880ED36549F_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC(C)(C)[N](=O)=O,RSZGNSVDVMXCOX-UHFFFAOYSA-N
-D2176AD9D18FA228_4219E2A942D30BAA_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C)C(OC2=O)(C)C)=O,YGHFYBLGLAJXCM-UHFFFAOYSA-N
-D22CEB7A4C501C5F_98934C7C01B6383A_6038_UN,O(C1=CC=CC=CC1=O)C(C(C)(F)C2=CC=C(C=C2)F)=O,KFZKQDQBYVXGRK-UHFFFAOYSA-N
-D3042672B48A5664_E0D4E7C6672206BD_6041_UN,C[S](=O)(=NC1=CC(=CC=C1)NC2=C(C=CC(=C2)N3CCN(C)CC3)[N](=O)=O)C,AMZMDKASINHIJN-UHFFFAOYSA-N
-D38B249517E5D2F9_D37FCAABFCB7787B_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC)(COC)C(=O)O,XZQRSEITSZBSKL-UHFFFAOYSA-N
-D40A7EE74A613403_7353D760E488FE46_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(COC2=CC=C(C(C)=O)C=C2)=O,CXLGOMIKRLICAY-LBPRGKRZSA-N
-D553015C71F981CD_E52C339A9CED7905_6039_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)CC3=CC(=C(C(O)=O)C=C3)F,KWVQNPZSHLGHRB-UHFFFAOYSA-N
-DBAB94E329401B28_8B3DBF2F53146DEC_6028_UN,N(C1=C(CCC1)C#N)[S](C3=NN=C(C2=CC(=CC=C2)Cl)[N]3C4=CC=CC=C4)(=O)=O,OGXHBKAGNMTBBH-UHFFFAOYSA-N
-DC687BB55C662F46_B327B6C0A6A0698F_7019_UN,C(CCN1C(=O)CNC1=O)=CC(C)=CC2=C(C=CC=C2)OC(F)F,XZYKNAFCFPYJRU-UHFFFAOYSA-N
-DCB90F54F643B47F_A444B92CF93DC93F_7019_UN,OCC(O)C=CC1=C(OC)C=CC(=C1)C2=CC=CC=C2,SDJXGJGGTDCVSR-UHFFFAOYSA-N
-DD2F3B93A94DC558_4838DAFF08FB22BA_6038_DP,S(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=CC=CC(=C3)O)=O,QDJIIRVSJWAAGM-UHFFFAOYSA-N
-DF4875268C6B78A1_1FB74C538DBA9DDB_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC4=CN=N[N]34)(=O)=O)C,GMRDJLGLIZSEFH-UHFFFAOYSA-N
-DFA6577F00C99EC1_167617BB68744AE5_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)Cl)[S](C3=CC(=CC=C3)I)(=O)=O,LEWKZXUAPORRNQ-UHFFFAOYSA-N
-E3C21B29E5B80D89_474FB32CD93BBB6A_6038_DP,ONC(=O)C1=CC(=CC=C1)OC(C2=CC=CC(=C2)C(O)=O)=O,NBIFIQHEFABEFB-UHFFFAOYSA-N
-E40BC4C29FBE8AA4_11D4D5109D8C634C_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=CC(=C(C(C)=O)C=C2)C)=O,ZZUAAGRYNNDNON-UHFFFAOYSA-N
-E5FCD58167CE6045_679B52D2042E8EAB_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OCC)C=C2)O,FPRULIJCUKVQJU-UHFFFAOYSA-N
-E78F4FED0C41AC2F_1A1895757263FBA5_6026_UN,[S](=O)(=O)(C1=CC=CC=C1)NCC3(C2=CC=C(OC)C=C2)CCOCC3,ODTTVFOGXDKGCL-UHFFFAOYSA-N
-EA20A810783D8153_4E1009F5DBF12D46_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(CC(C(OCC)=O)(C)C)=O,AWXBHJGNVMYHIC-UHFFFAOYSA-N
-EA850C8BA961C9D2_1DDCCC3E89F97853_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(O)C=C(C=C2)OC(F)(F)F,MOTSTTQYFYEUSO-UHFFFAOYSA-N
-EADBF0D0CB84B541_9D3634D28572F5CB_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,VNPVWXHHLSHYTL-UHFFFAOYSA-N
-EAF9E89FD47B21E9_58E51A742D1659F5_6041_UN,C1(=CN=C(C=C1)C2(CC2)C#N)NCC3(CN(CC)C3=O)C,LWVDJUBXVZPIQE-UHFFFAOYSA-N
-EAF9E89FD47B21E9_7CE14EC3C68EB4C1_6041_UN,C1(=CN=C(C=C1)C2(CC2)C#N)NCC3(CN(CC)C3=O)C,LWVDJUBXVZPIQE-UHFFFAOYSA-N
-EC337E746769172A_EB50594B814A3E85_6039_UN,O(C1CCC(CC1)C(F)F)CC(NC3=C([N](=O)=O)C=C2OCOC2=C3)=O,PCKOISUSUGPVAN-UHFFFAOYSA-N
-EC694F671A599476_CF97EBB1AAF65ACF_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC([C@@]3(CNC[C@H]3C)C)=O,HURALUIOLXYSEQ-PIGZYNQJSA-N
-EEE5153A49C6A87B_B36F191400E82F47_6003_DP,NCC2(OC1=CC=C(C(NC=C(Cl)Cl)=O)C=C1)CC[S](=O)C2,VEURMTYWQMYXHK-UHFFFAOYSA-N
-F001CD42078C6A0C_15E1520263B764EC_6034_UN,C2CC1=C(N(C=N1)CC#C[Si](C)(C)C)C(N2)C3=CN=CC=C3,IVMIXSQNGBHHON-UHFFFAOYSA-N
-F0220B376BDF64E0_DBEB6A9C3B786E98_6003_UN,CCC2(COC1=CC=C(C(C=CC(OC)=O)=O)C=C1)C(=O)NC(=O)NC2=O,XVADBZWBHUTSAC-UHFFFAOYSA-N
-F0A685448E4B4C93_84C0B110967038C6_6038_DP,CCC2=C(OC(CC1=C(C(O)=O)C=CC=C1)=O)C(=O)CC2,NANXCJGIUAKNKL-UHFFFAOYSA-N
-F408C834654BBA81_4C58AC1F30CA70F9_6038_DP,CSC1=NN=N[N]1C2=CC(=CC=C2)NC([C@H]3CSCN3)=O,CXYSVSYMMKDNTE-SNVBAGLBSA-N
-F4B518247EA85FED_009B006F9CB770EA_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC4=C(C=C(C(=C4)F)[N](=O)=O)Br,HSEUTCGTVHYEEH-UHFFFAOYSA-N
-F66F4A745669F7A3_D3EFD8EE68754BA9_6039_UN,O(C1=CC(=CC(=C1)[N](=O)=O)[N](=O)=O)CC2=C(C(OCC)=O)CNC(N2)=O,UYUGPKWJLMNSFX-UHFFFAOYSA-N
-FD0E61FF527D04F8_2FFFE160FBA9ECB7_6029_UN,CN2C[C@@H](CN[S](C1=CC=C(CO)C=C1)(=O)=O)[C@@H](C2)C3=CC=CC=C3,CEOHDJFMKXROTF-MJGOQNOKSA-N
-rxn:1:61175:32371,CC(=O)NC1=C(n2cc(C(C)N3CCCN(C(C)=O)CC3)nn2)C(=O)c2ccccc2C1=O,VZHQIFRZPSQNFV-UHFFFAOYSA-N
-rxn:1:63255:10780,COc1ccc(C(=O)O)c(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2=O)c1,FZCCFEIOHDIAJS-UHFFFAOYSA-N
-015240D0EBA89D49_CB3E729F6A28663D_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC(=CC=C2C#N)[S](N)(=O)=O)CC3)C=CC=C4,MMRJNCFLWDCFAX-UHFFFAOYSA-N
-016E752875B3286C_B60D22B37B4822C0_6038_UN,N(C1=CC(=O)NC(=O)C1)C(COC2=CC=CC(=C2)OC)=O,VUDNTOMPQSQCSV-UHFFFAOYSA-N
-01A795E0003296DB_7FD4AA16E9FE3852_6039_UN,O(CCC1=CC2=C(C=C1)OCC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,JMWQWGPXDJFPDO-UHFFFAOYSA-N
-01C3FF4BD7A265FD_BBD17B971034C8D8_6029_UN,N(CC1=CC(=CC=C1)C2CC2)[S](C3=CC=CC(=C3)SC)(=O)=O,XUNWUZPBQIRZJA-UHFFFAOYSA-N
-01EC9AD7249DDA6F_359AF42D8DDF7951_6026_UN,O=[N](=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N2C4=C(CCC3=C2C=CC=C3)C=CC=C4)Cl,VEOHAZHREVTGPI-UHFFFAOYSA-N
-028987CF7E890D7F_93815FEFA9679C8F_6041_UN,OC(=O)CCC1=NC(=NO1)C2=CC(=CS2)NC3=C(C=CC=C3)N4CCOC4=O,JHWICYUCKISUAQ-UHFFFAOYSA-N
-031748FEAE807D70_282BEA90DC303A6E_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C([S](C)(=O)=O)C=CC=C4,JBAJWABKCDEHET-UHFFFAOYSA-N
-07A8B066AAD95401_3E2522E3F75687FC_2201_UN,CC2C1=C(C4=C(N=C1C(Br)C(C)(C)C2)N=C3CCCCC3=C4)C5=CC=CC=C5,NWCWKIXLKZIGCD-UHFFFAOYSA-N
-07F90590A1EDB72A_1FE6D2E7109316E5_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=C(C[S](C)(=O)=O)C=C4,CWWKWGGOENMYAZ-UHFFFAOYSA-N
-08051058533D440F_56192A25F0575D7B_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NC3C(OC)C(C3)(C)C,DRUNKZCZRULXJO-UHFFFAOYSA-N
-0AEB288399B32491_5E66171BBC95805A_6038_UN,CO[C@@H]2CC(NC(C=CC1=C(OC)C=CC=C1)=O)C[C@@H]2OC,BRGORZJXFITSCM-VHRNVKJDSA-N
-0D0054D6E7514932_7BDB251C09125E95_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NCC3OC(N(CC)C3)=O,SWMZNTVIGNKZIM-UHFFFAOYSA-N
-0E27AB5F096E7CAF_5B10D80EF93211C4_6038_UN,N(C1=CC(=CC=C1)C[S](=O)(=O)F)C(=O)C2=CC=CN3C2=NCC3,XQLMBCVDOHCNJN-UHFFFAOYSA-N
-0F6638D86A82B6FA_71599926EB8FC46A_6041_DP,CC1=N[NH]C(=C1NCCC2=CC=C([Si](C)(C)C)C=C2)N3CCNCC3,JSQMXQOXPXKSAA-UHFFFAOYSA-N
-103EABD6A2470C1A_C11F9A94A4AE5844_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CC=C(N2CCN(C)CC2)C=C3)[NH]4,WFHWYRWGJZUWFN-UHFFFAOYSA-N
-10FF27D326F900E0_4E5FBDBE546EB5F1_6029_UN,C1C(CN1[S](C2=CSC(=N2)C3=NC=CC=C3)(=O)=O)C4=NOCC4,OHEFPKBQUIUFFB-UHFFFAOYSA-N
-12A0A7E8649BAB8F_F97C806EBC5C430B_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C=C(C)C=C3C)C,WEDYDUJSNDZVEN-UHFFFAOYSA-N
-134DB77F4E893EA3_DABFA3F8E3064594_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=CC(=C4)N(C)[S](=O)(=O)C,LRAQLJRNTVQWRW-UHFFFAOYSA-N
-169A7A8815B02078_343DF01A9C42B29B_6029_UN,C1CN(CCN(C1)[S](C2=NC=C(CO)[NH]2)(=O)=O)C3=NN=C(C=C3)C4=CC=CC=C4,JIVNYZYERUIBPV-UHFFFAOYSA-N
-1B30500708D40EBF_840C55087ADCB33F_6039_UN,CCC1=CC=C(C=C1)C3(OCC2=CC=C([S](Cl)(=O)=O)C=C2)CCCC(C)C3,OWSDGUVZCGFIKY-UHFFFAOYSA-N
-1C581AE26DF6E885_DFE0EB7B065FF41D_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC3=C(CC2=CC=C(Cl)C=C2)C=CC=C3,BTPALFZPJGNLQK-UHFFFAOYSA-N
-1D6B8C590A9444CB_DCECA57F6C0912B4_6029_UN,C1C(CN1[S](C3=C[N]2C=CN=C2N=C3)(=O)=O)OC4=NC=CS4,LRYWAYJRRNKVQO-UHFFFAOYSA-N
-1E3AFBD38E005EB3_525A4322F5BA3882_6041_UN,COC(=O)C3=CC1=C(N=CN=C1NC2=C(C=C(OCCN(C)C)C=C2)C)[N]3C,HOCNWKHLYSXCGO-UHFFFAOYSA-N
-1E7284ED66F61E71_D986E9F53EE87E79_6003_UN,O(C1=CC2=C(C=C1)CCC2)C3=CC=C(C(F)(F)F)C=C3[S](=O)(=O)Cl,VRMOLRYIFIXLNH-UHFFFAOYSA-N
-1E89B31F566098BD_95DFB388A2EC24F6_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3CC4=CC=C(O[Si](C(C)(C)C)(C)C)C=C4,GAHMUVURPSNLGN-UHFFFAOYSA-N
-1EA92278715CFB40_42487006D5501374_6041_UN,COC(C(=O)O)C1=CC=C(S1)NC4=CC=C(C3=NC2=C(C=CC(=C2)C)O3)C=C4,CHGWVMLPPDJSGT-UHFFFAOYSA-N
-1F492F88669BFB60_E88A632923DED125_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC3=C(N(C)CC3)C=C4)(=O)=O)C,ZVSJOZKLAKMQGB-UHFFFAOYSA-N
-202B1FA4738943DF_63DFFD8F1814371D_6039_UN,O(CC(F)(F)C(F)(F)F)CC(C)=C(C#N)C2=NC1=C(C=CC=C1)S2,WJCRTEBFNZEUFI-UHFFFAOYSA-N
-202E5E1886200690_D7CD27B7BA264CF9_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)SC(C2CC2)C3=CC=CC=C3,IRQIUTHFUMVZJY-UHFFFAOYSA-N
-20C425418E6DC675_F67440379D03595B_6029_UN,CC1=CC=C(C=C1)C2(CCC2)N[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,FWDMFKSFCXDFNI-UHFFFAOYSA-N
-22A899B3750823B2_C925930DCD5D1AE2_6029_UN,N(CC1CCC=CCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,OTIPSEWNXXDFDD-UHFFFAOYSA-N
-22B1AE753677424B_B5D6CF6052424A82_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC=CC(=C3)C4(C)CC4,WBLBNNKEXGPTOX-UHFFFAOYSA-N
-2368199BF73820F8_CA706F3D29173C29_7015_UN,N(C1=CC(=CC=C1)C2CCCCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,ZMKVTCKKKHXKBU-UHFFFAOYSA-N
-24BB4F7C185F1BE1_32A39D68B2D4DB09_6041_UN,OC(=O)CC1=CC5=C(C(=C1)NC4=CC3=C(N=C(C2=CC=C(C)S2)S3)C=C4)OCCCO5,ORTPNEQBXHITKV-UHFFFAOYSA-N
-24D74F1D6C5AE6D1_14346DD07A7C04A5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C=C(C)C=C3)C,LKPIMMDHVAVLTO-UHFFFAOYSA-N
-2556195D50396149_477D03EE27C2284B_6006_UN,COC1=CC4=C(C(=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)CCCC4=O,JMMRHKZKGSVSTM-UHFFFAOYSA-N
-258BE09B8344AF0C_1C20C63DE4FED16E_6029_UN,CC(C)C1=CC=C(C=C1)OC2CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,VDIUSUTXANFECR-UHFFFAOYSA-N
-26B65F747E54A5C7_449F1CDD7D567256_7019_UN,CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C=CC3=C(O)C=C(C=C3)F,CZBBBHBNPFTNHO-UHFFFAOYSA-N
-26BAAA8B5479CD9A_CB59E6766188824C_6041_UN,OC(=O)C2=CC(=C1OCOC1=C2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,QBQXEOQDUJGNRJ-UHFFFAOYSA-N
-276373F357498CCE_46E7A16C9B1B29A5_6005_UN,BrC1=CC2=C(C=C1)C(=N[NH]2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,OWMUUSBBEDGDJS-UHFFFAOYSA-N
-287B2A4181A87878_065671043BEB76B3_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)[N](=O)=O)O)OC,GYFJYNCYFYSAFE-UHFFFAOYSA-N
-29B27B527AB78ECB_6C4224B3B972435E_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCCC4,GYSYVGALMLCLSP-UHFFFAOYSA-N
-29FF23D2785922BE_A5E8EB8D548D400A_2201_UN,CC(C)C=C3COC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,RWSGUMPHZJXIGP-UHFFFAOYSA-N
-2AAC3D1498287C76_6C26C7237F6F948B_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NC4=CC3=C(N=C(C(C)C)S3)C=C4,SLFLOWBAWJQDRU-UHFFFAOYSA-N
-2B203A429FB99158_96C0C7F356849109_6029_UN,N(CC1(CC1)C#N)[S](C2=C(C=CC=C2)OC3=NN=CC=C3)(=O)=O,HMBQXFPNDVKXNK-UHFFFAOYSA-N
-2BAE4B05D252AE12_47EBE413C3A7C9F7_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=C(OC)C=CC(=C3)[N](=O)=O)=O,ZBGOMDASKPHQTO-UHFFFAOYSA-N
-2BDEB4233522A3F8_F57717A65AB972ED_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)CC(C)(C)O)(=O)=O,XLCCAYFMVZRMEJ-UHFFFAOYSA-N
-2CE72C2149E2FF16_1079AD639FBD458A_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)OC=N3,JTDFMHPAEWUFRC-UHFFFAOYSA-N
-2D4AEFAD3E986A17_CE3C5BD96AEEF592_6038_UN,O(C1=CC(=CC=C1)C=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)Cl)F,KLAGVJBJTKIBQQ-UHFFFAOYSA-N
-2D64B3C8EFC5EF8A_3C8F68EB56687D65_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2Cl)Cl,QXMAFDAWRVJGCB-UHFFFAOYSA-N
-2EA7260E34340779_F444C55B7B0F2AC4_6041_UN,O=[N](=O)C1=C(C=CN=C1NCC3=CN=C(N2CCN(CC)CC2)C=C3)C#N,XZCIBTVJYJXYTK-UHFFFAOYSA-N
-2EE0945FEA47E4CC_3E842A85159089DD_6029_UN,CN1CCN(CC1)C2=NC=CC(=C2)CN[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,WRESFDZHKNYSEB-UHFFFAOYSA-N
-3065AC684D1D3AB2_89963E3867702258_6028_UN,N(C1=CC=C(C=C1)C2CCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,PCRHHEQZZNDJAH-UHFFFAOYSA-N
-3076EA5DB5415D66_5FB6C61704A75ECD_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CN=C4C=CC=C[N]34,IYURLVFMSUJARP-UHFFFAOYSA-N
-30D969D8E0846F0F_AB54926559B11753_2875_UN,N3=N[N]([C@H]1C[C@@H](C1)SC2=CC=CC=C2)C=C3C4=CC=C([S](F)(=O)=O)C=C4,VKTYHHPFXVTCIX-KOMQPUFPSA-N
-31DE302E75F7FE15_9F32B7D711A428BF_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(OC)CCC(CC3)C4=CC=CC=C4,DSYIKZMNFCXPKX-UHFFFAOYSA-N
-3465F982EEEC8231_5EF7D88D12C5000B_6034_UN,NC1=C(C=NC(N1CC3=CC=C(N2CCN(C)CC2)C=C3)=O)[N](=O)=O,NSIOQQSDZSLTAQ-UHFFFAOYSA-N
-3733BD10A0277437_4B52F698D9FA62FA_6029_UN,ClC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,KZFOFNJDJRWIBN-UHFFFAOYSA-N
-38F188DFE610AAB8_E215C93D9F7AD067_6034_UN,CC1NCCC2=C1N(C3=C2C=CC=C3)CC4=C(C)OC(=C4)C,CVZHASFNSTXLAU-UHFFFAOYSA-N
-3926F617E96479EC_8FBA145B65372C3E_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(CC)C=C2)F)=O,HQBGDDWMZSVLAD-NSHDSACASA-N
-3DE60CDFE5F53F48_46093F5F2A8FD887_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,APJGULQRBNSEIP-ZDUSSCGKSA-N
-40F29DB04A5358FB_4906025AF94ABB2D_6029_UN,CC1(CC=CCN(C1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C,JWCMBZPQYIGVFL-UHFFFAOYSA-N
-413BA4F609E92024_151C173048A81B5C_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(C3=CC=NC=C3)[N]4C5CC5)(=O)=O,RTOXARXPBPKESS-UHFFFAOYSA-N
-4192019C72F43C37_8D98B6C2FB67E55A_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NC3=CC=CC(=C3)N4N=C(C)CC4=O,BLDXQRUDRMTSBA-UHFFFAOYSA-N
-41F3FBB4090A2BF4_C862429D91F7DB4F_6038_UN,O(C1=CC(=CC=C1)C2CC2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)Cl)F,OSNMEIPJURFECH-UHFFFAOYSA-N
-43110364694EB91B_91AD902407F55E13_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4)(=O)=O,YAGSDFMWBYUUBA-UHFFFAOYSA-N
-45A3C7D756268C67_54CD4F00B470B2A5_6041_UN,C2(=C1CCCCC1=NC=C2)NCC3=CC=C([S](C)(=O)=O)C=C3,PJESRNOFHCXUHE-UHFFFAOYSA-N
-45AD80F315AE643E_71D414BD39C404DF_6029_UN,O[C@H]1CN(C[C@@H]1O)[S](C2=N[N](C=C2)C3=CC=CC=C3)(=O)=O,PXJLMRUXHXTXKC-RYUDHWBXSA-N
-49DBF29BE5FB5D13_BF6F4CB6AAE6378A_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)NC4=C(CC3=C(C=CC=C3)O4)C#N,AHOARXUWYFWMBN-UHFFFAOYSA-N
-5233B1AC6178A34F_1FA4CA8DC9C05AB9_6041_UN,C1(=C(N=CC=C1)C2(CC2)C#N)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,UZBYBEULKCPKRX-UHFFFAOYSA-N
-54AFFDB6CEFAF13C_3D8DBB6FA9C7420A_6029_UN,C1CC(CN1[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,YUDMEWAQVDRDCR-UHFFFAOYSA-N
-578BA3462F7F8229_9222D8E7EC9571DD_6004_UN,CC1CCC(=O)C2=C1C=CC(=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4,FWHWDPDXJGKAHB-UHFFFAOYSA-N
-57F6E10A337D7CBF_CAB19660F75BD33F_6027_UN,N(C1=C(C=CC=C1)C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,VIHOJOCVIFKSRO-UHFFFAOYSA-N
-58985542E528BCD2_E2D33375B6FF33D1_6038_UN,N(C1C2=C(OCC1)C(=CC=C2)C3=CC=CC=C3)C(C(OC)F)=O,CBZTYZBLMOYVIH-UHFFFAOYSA-N
-58EB07D9E3578240_DB7F54E4EFE78B86_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C([NH]C=C2)C3CCC3,VMMYCRKQMKFIHO-UHFFFAOYSA-N
-594A91FD2CA09998_E938A760029509CF_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O,ZIRYQLGJMCJYHR-UHFFFAOYSA-N
-5AFCDF223A4DCAE6_4E85DA8B71E58BE3_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CC(C)(C3)C4=CC=CC=C4,GTZCYVYVKGZVEU-UHFFFAOYSA-N
-5B2F8A0604CAE889_A3195382AFE8E938_2201_UN,CC5C4=C(C1=CC=C(C)C=C1)C2=C(C3=C([NH]2)C=CC=C3)N=C4C(Br)C(C)(C)C5,XKLOJZSGIVZVKP-UHFFFAOYSA-N
-5C2EE6474DC82A1B_F73A779AD13E4A8E_6004_UN,C1(=C(C=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=C(CO)C=C3,JNVDYOBUJAHVBB-UHFFFAOYSA-N
-5E345BA34F6BFD9F_21004D0D0A105F5D_6029_UN,N(CC1=CCCCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,SDGXHPKDFRFAEV-UHFFFAOYSA-N
-64200B16072191BB_CF8CA39A8266AF32_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=C(SC(C)C)C=CC=C3,MFLMUCSEIKLEPD-UHFFFAOYSA-N
-64E69EA6A37AB731_B22D3F37C61C52E0_6027_UN,N(C1=CC=C(C=C1)C2CCCCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,HQEJFHIHOYQRBW-UHFFFAOYSA-N
-6571C5CBA4FC9974_2E12EAE20A2DA2CA_6041_UN,COC1=C(C=CC(=N1)NC(C)=C(C#N)C(=O)O)C(=O)C,SCSFNVZMQSFESN-UHFFFAOYSA-N
-65CBB07ED2CF5E1E_C4F231FFF3BCDDF1_6026_UN,O=[N](=O)C1=C(C=C(C(=C1)F)[S](=O)(=O)N2C4=C(CCC3=C2C=CC=C3)C=CC=C4)Cl,INVLJIXKPJLHQU-UHFFFAOYSA-N
-6648787352495BEC_1A6ED054B910F0B7_6005_UN,ClC1=CC2=C(C=C1)C(=N[NH]2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,MLXHKZBZBXGSOU-UHFFFAOYSA-N
-67EB75B4B4B1702B_8550403EFF14AB87_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC3COC4=C3C=C(C)C=C4,FQSLKSYJQAKWGZ-UHFFFAOYSA-N
-6827D2C02C726E60_DADE7F05F7174B2E_6041_DP,C2(=C1C=CC=CC1=NC(=C2)C#N)N[C@@H]3C([C@H](O)C3)(C)C,MYKFHXIOABVQQU-LSDHHAIUSA-N
-683FF8C4A9C8B235_39CA652044843167_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=C(C=C3)Cl)[S](=O)(=O)F,PFZKWTBTJCZIKF-UHFFFAOYSA-N
-688FD5E15CDF9B0B_03E3EF809B83E70A_6029_UN,OC(=O)C1=CC2=C(C=C1)[N](N=C2I)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,PLCYWNUHTNIUHK-UHFFFAOYSA-N
-6942296936A0FA81_A702C22519D6D5D5_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(C)(C)F,DXKLYGWOXYRMBC-UHFFFAOYSA-N
-6A50896A27211E6E_2CED7395B7727E21_6029_UN,OC1(CN(CC1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CC(=CC=C4)F,MFUMWODVGMBVRM-UHFFFAOYSA-N
-6C36F818888B896D_0B7CBD661D1F9A57_6038_DP,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4ON=C(C3CNC3)C4)=O,PJPWEZTYDYEDPM-NNJIEVJOSA-N
-6E32141DB6869E09_C311C6EAED8EDD61_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=CC=CC=C3)NCC4CN([S](C)(=O)=O)CC4,WLOBQWXMAKRDHS-UHFFFAOYSA-N
-6EA0237DFB664C08_49BD98F2E5450473_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(C)(C)F,YMNNEFYHUWSSSU-UHFFFAOYSA-N
-6EA8E06AF2B0436A_A36D3F7FA4646B0C_6038_UN,OB(O)C1=C(C(=CC=C1OC(=O)COC2=CC=C(C=C2)[N]3C=NN=N3)F)F,WZDDKBUGDPJUMV-UHFFFAOYSA-N
-6F0AFF54BD5EC664_55592AD1586DC892_6041_DP,CC1(CCC(=O)C=C1)C2=CC(=CC=C2)NC3=CC=C(CO)C=C3,ROTLKIHQDMRPSH-UHFFFAOYSA-N
-6F9690F278B0B33C_A282BFDFE9A69AF9_6004_UN,OC1CN(C1)C2=NC=C(C=C2)C3=C(C=C(C(C)C)C=C3)C(C)C,MUAYZDGHSCJBDH-UHFFFAOYSA-N
-7372494CCF28A479_207238D15F31C526_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3=NC(=CS3)C4CC4,RBBJMZJKGDYAMF-UHFFFAOYSA-N
-7766536E1BA8FB8F_AF6BAFBCD2EE0E76_2201_UN,OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4,VEEXFELCQWESFA-VWNXMTODSA-N
-7AE127E61E18CB9C_51FB13DCEC35DF6F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3C(OC)CC(CC3)C4=CC=CC=C4,JUWRWTGLWQAQFL-UHFFFAOYSA-N
-7D8900FD8C13893D_23A998C676C44046_6029_UN,CC3=CCC(N[S](C2=CC=C(C1CCCN1C)C=C2)(=O)=O)CC3,CLXFLYWSPAANSN-UHFFFAOYSA-N
-7E1BEAD208FF6658_384B275D7C2A966A_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@@H](C)C3C4=C(CCC3)C=CC=C4,GGZGCOPQYDWDTL-XNUZUHMRSA-N
-7E4270B46E4B6A89_131E8008163052E1_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3=C(SC)C=CC=C3C,LZOWBCNGCQEQMD-UHFFFAOYSA-N
-7E4270B46E4B6A89_803B6027BBD3DB40_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)NC3=C(SC)C=CC=C3C,LZOWBCNGCQEQMD-UHFFFAOYSA-N
-800EB750E10FE927_ABAEC09584B49656_6027_UN,N(C1=CC=C(C=C1)C2CCCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,DMVHTYUPZROLNB-UHFFFAOYSA-N
-808B0EB99F972711_9AA32D8B4F82A0B0_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC4(CN2CCN(CC2)C3=NC=CC=N3)CC4,CAYRXEMMLOCLEP-UHFFFAOYSA-N
-8117A65ACFD1745B_2BB7D2DE6193EE56_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=C(C=CC=C3)Cl)(=O)=O,DXPCRFBWTUXPKV-UHFFFAOYSA-N
-8426D5282C75F888_D72BFE19D8323AB2_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,XSGKITLVYZLDEB-UHFFFAOYSA-N
-844E05B9FF0670C7_28F495D8A03DE7B9_6038_UN,O(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=NC=CC(=C4)C(C)(C)C)=O,KYJOOZLOOJIQRL-UHFFFAOYSA-N
-867275ABB0688BB0_0704466F8EC18021_6034_UN,ClC1=NC3=C(C(=N1)NC2=CC=CC=C2)N(C=N3)CC4N(C)C(OC4)=O,FHBGJCQXACFBED-UHFFFAOYSA-N
-8A5369DA729FE3B5_7B37B0E5B4FBC12E_6034_UN,C1CC(CNC1)C2=CN(C3=C2C=CC=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,OBVMKNYIUVQPKB-UHFFFAOYSA-N
-8B03283962626D35_6E7224986AE757ED_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=C(C(C)C)O3,DOAYYNUROKREPY-UHFFFAOYSA-N
-8C09ECD34AEC07C7_549372E5DD8D9387_6029_UN,CC=C1CN(C1)[S](C3=CC2=C(OCC2(C)C)C=C3)(=O)=O,HPSZLKCNRYSARL-UHFFFAOYSA-N
-8D4CC447963573CB_E98BBC54AC3106C8_7015_UN,N(C1=CC=C(C=C1)C2CCC2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,LAZAFOSXAYAZMH-UHFFFAOYSA-N
-8E10DC0B33A4B385_082F47A1A62AC882_7022_UN,CC#CC1=CC(=CC=C1)NCCC2=NOC(=N2)C(C)(C)C,ZIDJPXXHKHDJBB-UHFFFAOYSA-N
-8F13FA826750D3C4_0EF9F4349220DBBA_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(N2CCN(C)CC2)C=CC(=C3)F,IIAACANYLXXUFJ-UHFFFAOYSA-N
-8F4D22775DE3B21C_584F907B69B5B217_6027_UN,N(C1=CC=C(C=C1)C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,FFVXXQZEWVMESH-UHFFFAOYSA-N
-9425DA386D92A7FE_F68CF2EC5819E2A5_6028_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=NN=C(CN(C)C)O3)(=O)=O,DQJREMVNDWELAR-UHFFFAOYSA-N
-94AD57F58874F4F7_22BB87DA2A81B349_6041_UN,CC(C)C1=C(C=C(C=C1)NC2C3=C(OC2)C=CC=C3)C,LCCRKKSCINZRGJ-UHFFFAOYSA-N
-965E6D9C16058E1F_C210076713C8734C_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=CC(=C3)F)(=O)=O,JMGZCTVALLMNBP-UHFFFAOYSA-N
-99036821F7737CC0_A8E010A529FA10C0_6028_UN,C1CC(CCN1[S](C2=CC=C(COC)C=C2)(=O)=O)C4=NC3=C(C=CC=C3)S4,CQFUDKKNLIZKHC-UHFFFAOYSA-N
-9D42D9DEA1A5F548_9F81E9A8256505E3_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=COC(=N3)Br,QZZVGMJVKRTLQN-UHFFFAOYSA-N
-A1879FFA36B10CB7_E40B636DAE344CC9_6041_UN,C1(=CC2=C(C=C1)[NH]N=N2)NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C,JIGJIUMUXUQDDD-UHFFFAOYSA-N
-A33A01A9B92820C4_7D3DA584709A3147_6041_UN,CC1=C(C=C(C(=C1)NC3=CC=C(N2CCCN(C)CC2)C=C3)[N](=O)=O)C,ORNFTMVHRUMAPR-UHFFFAOYSA-N
-A517E06936703854_E7DBD6B7C87B9FFA_7005_UN,CC(C)C1=CC=C4C(=C1)N=C(C2=C(N=C(C)S2)C3=CC=CC=C3)[NH]4,HOPVRCRLNDZDQD-UHFFFAOYSA-N
-A6EDB53F6B2A8191_5373B47E892552B1_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NCC4=CC=CC(=C4)C[S](C)(=O)=O,HTKHEGQOLYGJSR-UHFFFAOYSA-N
-A83504300EA8A82C_4919E324256B84BB_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3,YNNIMUQCNQKEOP-IEZWGBDMSA-N
-A83504300EA8A82C_D071F7971A168237_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3,YNNIMUQCNQKEOP-IEZWGBDMSA-N
-A8BB832879787796_9B904770580C0788_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NC4=CC=C([S](N3CCN(CC)CC3)(=O)=O)C=C4)C5,JYGNAXFCTPLZLQ-UHFFFAOYSA-N
-AB0BA03886CB46DB_5A863672F8D8E1AC_6028_UN,C1C(CN1[S](C3=C2C=C(SC2=NC=N3)C4=CC=CC=C4)(=O)=O)C5=NOCC5,UYXVDVKRRAFVDM-UHFFFAOYSA-N
-AB5498F28BDD37D6_0BDC1DD6FCAF83DA_6034_UN,C1CCC(CC1)C3=NC2=C(C=CC=C2)N3CC4=CC=C([S](C)(=O)=O)C=C4,UINAOJPUMWPLHC-UHFFFAOYSA-N
-AC1A3318DA2173D8_20500B0D168BA55D_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,ZKTHOYAUJXIBQD-UHFFFAOYSA-N
-AD41396AC749759D_F07C45EADFDEC77C_6039_UN,CCC(C)(OCC1=C([S](F)(=O)=O)C=CC=C1)C2=CC3=C(C=C2)CCCC3,WUFCGMOFGVKPRW-UHFFFAOYSA-N
-AD52B9EAC7F2377F_F79BB1BFE8F8B2CF_6009_UN,C1(=CCNCC1)C(CC2=C(COC)C=CC=C2)(C)CO,OFNHXMMIWSHACQ-UHFFFAOYSA-N
-AD84409A91E0A1E9_C11B16B830D3C094_6004_UN,FC1=CC=C(C=C1)C2=NN=C(O2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,KFNJECKGZIACOK-UHFFFAOYSA-N
-AF3C077D6D2C3282_8C22DEA393586C82_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(C(=C(C=C2)[N](=O)=O)OC)O,UIRAZXOWFYPJIW-UHFFFAOYSA-N
-B3847E56610AED47_EBB6882C58D869C7_6004_UN,ClC1=CC=C(C=C1)C2=NN=C(O2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,LMUXVLAIVMPVDJ-UHFFFAOYSA-N
-B46121DD9793E541_4643B3E7294A0040_6027_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,UICSOPLQVFCGPR-UHFFFAOYSA-N
-B8C0C0C0BFC04C89_F1ACEB33C99E559F_6041_UN,C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,YHEPOIHOSJIIME-UHFFFAOYSA-N
-B9430C2EE36C8991_81A030C4DB000461_6028_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=C(C=CC=C3)Br)(=O)=O,KECISCHNODBTTO-UHFFFAOYSA-N
-B9A874B33CE4864A_7FC435C163A48BAE_6038_UN,N(C1=CN=C(N=C1)C2CCOCC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4,HORCSFYWNFMSRI-UHFFFAOYSA-N
-B9C704F5C10EF76C_F6CFA286324AE20F_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4[S](CCC4)(=O)=O,CNFXAVQDARQWLR-UHFFFAOYSA-N
-BA547575A30806C6_33C7FFBB5527081B_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,DMBBMYPBBMTLEZ-KRWDZBQOSA-N
-BC87345707B5A75A_49B9983C90191406_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(C(C)C)C=C3)O4)(=O)=O,FQWYZFCTDRUSAT-UHFFFAOYSA-N
-BE63E3064E467C51_E186605CA032B800_6041_UN,C2(=C1OCCC1=CC=C2)NCC3=C(C(OC)OC)C=CC=C3,NBJBWFWTOULUSK-UHFFFAOYSA-N
-BEDFC0A60C9A1A7B_B0DC5AB7B1BC130E_6039_UN,O(CC1=CC(=CC=C1)C3=NC2=C(C=CC=C2)O3)CC4=C(C=CC=C4)[S](=O)(=O)Cl,XCOFRNNONOUFMR-UHFFFAOYSA-N
-C0641D96E105EFF2_BB70FB73BFFEB115_7022_UN,C1(=CC(=C(C=C1)C#N)C2CC2)OC3=C(C=C(C=C3)F)[S](=O)(=O)Cl,PXAIZKHROUKPAY-UHFFFAOYSA-N
-C2D780399DADB8C5_6E3C99E14969344A_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=C(O)C=C3)C(F)(F)F)(=O)=O,SKXOEWGAYSVNAO-UHFFFAOYSA-N
-C561A461E00A9AFE_5F13733B7A469375_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC5=CC(=C(N4CCN(CC)CC4)C=C5)C,RCZAGOOQYAEUMY-UHFFFAOYSA-N
-C5C3E2E9D6CCF027_8D1F1E4080B840F5_7013_DP,CCC[N]2C1=CC=C(C=C1N=C2C(CCC(C)(C)C)N)C,URZRVQRNGVOLDX-UHFFFAOYSA-N
-C74DB84F9DE7C752_40BA1D4F4E162513_6027_UN,N(C1=CC(=CC=C1)C2CCCCC2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,MLSRSBXKBFFNDR-UHFFFAOYSA-N
-C7614A8704544887_8E7DB742455008E7_6026_UN,O=[N](=O)C1=C(C(=CC(=C1)Cl)[S](=O)(=O)N2C4=C(CCC3=C2C=CC=C3)C=CC=C4)Br,UTBWQSHIKITUOV-UHFFFAOYSA-N
-C877358095044CF1_90BDD1F7C09EC48F_6004_UN,CC1=NC(=N[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,WQJVZIKUSKDLAW-UHFFFAOYSA-N
-C91B9B33B1D31316_798B35AA873BEDEF_6029_UN,N(CC1=CCCCC1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,UQPMFMLTXYSENO-UHFFFAOYSA-N
-C93E76FD528C5370_D00A10973B1459B1_6027_UN,N(C1=CC=C(C=C1)C2CCCCC2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,XHYQQECZUFPLJY-UHFFFAOYSA-N
-CA2076897F185041_78EF94C80E2975E1_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC=C[N]2C3=CC=C(C=C3)Cl)(=O)=O,NMXVAZMOGKJVMA-UHFFFAOYSA-N
-CA556D413DB2420A_83A2A7468F1E9B1A_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC4=CC3=C(N2CCN(C)CC2)N=CN=C3C=C4,RUGYOTJLKIAMJK-UHFFFAOYSA-N
-CA69AF4B9F7E6045_912AE0C88B4F689D_6041_DP,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)NC3=CC=C(O)C=C3,WMPNDEMCUXSGDM-UHFFFAOYSA-N
-CA69AF4B9F7E6045_EF962D178A87653F_6041_DP,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)NC3=CC=C(O)C=C3,WMPNDEMCUXSGDM-UHFFFAOYSA-N
-CC552E0D37DA2910_EE552AA377ADACB9_6029_UN,CN1CCN(CC1)C2=NC=C(C=C2)CN[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,URJLOCGDXHZCSM-UHFFFAOYSA-N
-CF891E1801485CFE_F4A6763064CF0D5D_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC=C[N]2C3=CC=C(C=C3)Br)(=O)=O,WUMMMQDLQXSJJD-UHFFFAOYSA-N
-D14D5F226A2488CB_90FF8240B6724311_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CCCC3C4=CC=C(C)C=C4,TYCNYDZUELFYKP-UHFFFAOYSA-N
-D2079B7CC821D285_DAA53413F983E8C4_6034_UN,CCCC1=C(C(C=C(N1CC2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)F)C)=O)C(=O)OC,AKIOMBYNUMMGKC-UHFFFAOYSA-N
-D242096C7C959544_9BC3E105D813945B_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC(=CC=C2)NC3C(C4=C(OC3)C=CC=C4)=O,RMDVXSXYBHXWSW-UHFFFAOYSA-N
-D38D1CCB2CC112AC_E6D0C4AA6D7C6C65_6029_UN,CN3CCC(CN[S](C1=CC=C(C=C1)C2CC2)(=O)=O)CC3,TYFAMEMBRVXDFB-UHFFFAOYSA-N
-D4F5617D61FF7064_B54539DA0B70600D_6004_UN,ClC1=CC(=CC=C1)C2=NN=C(O2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,KVUSMLLVGPHGAX-UHFFFAOYSA-N
-D691BED15991F7EF_1CB63359867CAFD4_6006_UN,CN1CCN(CC1)C2=NC=NC(=C2)C3=CC=C([Si](C)(C)C)C=C3,ZFVFAEVQHVQTQS-UHFFFAOYSA-N
-D7AB1F7EC0A3EC67_4750FC4B0FA219D5_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC3=CC=C(N2CC(C)(C)C2)C=C3)F,KCAPNMWBUHUFCH-UHFFFAOYSA-N
-D947BF72B85DF153_33015CB07CB3F0B3_6026_UN,O=[N](=O)C1=CC(=C(C(=C1)F)[S](=O)(=O)N2C4=C(CCC3=C2C=CC=C3)C=CC=C4)F,DHLDLWWOAUTPJI-UHFFFAOYSA-N
-DB54CC6C0A4683C6_80468ED522FDCC4C_6029_UN,N(C1CCC(CCC1)C2=CC=CC=C2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,ONXYWYPPEQPMSH-UHFFFAOYSA-N
-DC29288FEDD316BD_F05E84EA2D555B86_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)N4CCCC4)F,FEHQXEHWGFHAJD-UHFFFAOYSA-N
-DCEB9FA173A8C18D_46CDAF0F7CBCFB11_6041_UN,C1(=NC=C(C=C1)C2=CC=NC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,MRWNWSNWBDIDRP-UHFFFAOYSA-N
-DE2BEE86648FDD82_851E10D18CF7F654_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=CC(=C3)CC(C)(C)C#N)(=O)=O,FDKQCBCHLDWCJL-UHFFFAOYSA-N
-E1221485AB6B6038_15E7DD0FEA1640C3_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NC=CO3,UKKLRSIKQCPIPE-UHFFFAOYSA-N
-E15C5CEE5A13D057_058F98D66173C3B2_6029_UN,CN3CCC(CN[S](C1=CC(=CC=C1)C2CC2)(=O)=O)CC3,VFLZQZAEJFRLBS-UHFFFAOYSA-N
-E2C91E55F8A9176E_12A3EED4BDC9602B_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)C#N,YZDAMJUCWPSIPB-UHFFFAOYSA-N
-E422CFAF60CB69D7_487C964799F402B4_6036_UN,CC3=CN1C(=NCC(C1)N([S](C)(=O)=O)CC2=CC=NO2)C=C3,MSXUGZQWVDVYPX-UHFFFAOYSA-N
-E636CBADB2F2E999_8186A75441DA61A6_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,UQLQPHLXKVLIQL-SFHVURJKSA-N
-E9142802C1174075_0B8798A03B23C0F5_6029_UN,OC1(CN(CC1)[S](C3=CC2=C(OCC2O)C=C3)(=O)=O)C4=CC=C(C=C4)F,LEYIOASHYCVJGF-UHFFFAOYSA-N
-EDBEFEB6571F1381_24A1281FEAECF66E_6038_UN,N(C2=C1C=CC=CC1=NC=C2C#N)C(C#CC3(C)CC3)=O,RJDPIEHSJUNMGM-UHFFFAOYSA-N
-EE0220BF4A1DA045_1866EAE2E839F11C_6041_UN,O=[N](=O)C1=C(N=CC(=C1)NC3=C(N2CCN(CC)CC2)C=CC=C3)C#N,IBGUCOSSLOWHPP-UHFFFAOYSA-N
-EEB972E9145C9511_DEFE95A6F916B158_6041_UN,CC1=C(C=C(C=C1)N[C@H]2CCOC3=C2C=C(CC)C=C3)[S](=O)(=O)N4CCCCC4,FEQQZMQQHDZEDI-NRFANRHFSA-N
-EF0D54EB255658D7_02ECB6E722352907_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(C3=CN=CC=C3)[N]4C5CC5)(=O)=O,LDQXHBZTAZAVOT-UHFFFAOYSA-N
-EF3FE6745D38E969_45BC7A9643E0B7A8_6036_UN,C2(CN1C=CC=CC1=NC2)N([S](C)(=O)=O)CC3=CC(=CC=C3)Br,ZUISSGXWJCOAPM-UHFFFAOYSA-N
-F19F5DCB551C23A8_C9D28DC21E71E167_6041_UN,O=[N](=O)C1=C(C=CN=C1NC2=CC=CC(=C2)N3CC(C)(C)C3)C#N,LEFAZHMZIHDLAL-UHFFFAOYSA-N
-F2039CB129F9AA8A_A0950C2E18378CF4_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,DRHKTNPFJNBDNO-UHFFFAOYSA-N
-F27E87C31DB51DC9_3FBA91DBAF275B86_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=C(SC)C=C(C=C3)C,DBAHEYANEXYYHU-UHFFFAOYSA-N
-F4E07A7B44B5336F_CBCDEC042FE22CA2_6038_UN,CN1C(C(N(C1=O)CCCNC(C2=C(C(OC)=O)SC=C2)=O)=O)=O,PQGJAPKUPOGAIO-UHFFFAOYSA-N
-F626DED4975F0A72_D98837C6978A8C0E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CCCC3)CC4=CC=CC=C4,FSXWKDAUJYUMHX-UHFFFAOYSA-N
-F887E174C562CC6F_69BC4D4325CCB476_6034_UN,C1CCC2=C(C1)N(C3=C2C=CC=N3)CCC4=CC=C([S](C)(=O)=O)C=C4,IVFLTZBLRVZJAV-UHFFFAOYSA-N
-FBD88DFE48E434C2_BAA2CD4603162DFD_6034_UN,ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(C)(C)F,FRPZLXFPOSTHNS-UHFFFAOYSA-N
-FDF5E540237409C0_A2E5EB0E190503EC_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(C=C(N2CCN(C)CC2)C=C3)C,OQDQEVMPLPILFC-UHFFFAOYSA-N
-rxn:1:63179:33381,COC(=O)c1cccc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,WOOBDTYGCHMWFT-UHFFFAOYSA-N
-rxn:2:109942:110753,CCC(N[C@@H]1CCOc2ccc(S(C)(=O)=O)cc21)C1CCN(c2ccc3c(c2)OCO3)C1,XYTAMJDGHQNSKO-VYHPPPRESA-N
-rxn:2:111257:151416,COC1(c2ccccc2)CCC(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,MUYNEYWHQNQUAE-UHFFFAOYSA-N
-rxn:2:119373:148822,CN1CCC(Oc2ccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)CC1,PEOIINVTZZBHID-UHFFFAOYSA-N
-rxn:2:120122:155627,CC(NCC1CCCN(C2CCCCC2)C1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,IVTCSVFDTFWBBZ-UHFFFAOYSA-N
-rxn:2:130460:148296,CC1(C)CCC(Cc2ccc(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)cc2)CC1,XJQOCXFVYKBGHS-UHFFFAOYSA-N
-rxn:2:130786:149479,Cc1ccc2c(c1)C(Nc1ccc(C3CCCCCC3)cc1)CC1(CCS(=O)(=O)CC1)O2,KWEYAGQVXPRXBR-UHFFFAOYSA-N
-rxn:2:134143:151416,Cc1ccc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1C1CCC(C)CC1,GSTIJBYQQKZZAX-UHFFFAOYSA-N
-rxn:2:136627:71865,CCCC1(C)CCC(NCC2(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,FZJHGTIUDGIERP-UHFFFAOYSA-N
-rxn:2:149647:112206,CCC(Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C1CCN(C2CCCCC2)CC1,JGIOWOQGOWIANZ-UHFFFAOYSA-N
-rxn:2:68340:145218,CCC(NC1CCN(C2CCCCCCC2)CC1)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1,UJFOGZBFVUCMTP-UHFFFAOYSA-N
-rxn:2:68340:147741,CCC(NC1CCN(C2CCCCCCC2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,KRZNJQWMSCMOSZ-UHFFFAOYSA-N
-rxn:2:77257:100302,CC1CN(C2CCCCC2)CCC1NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,QXUZTAREIJTEEK-UHFFFAOYSA-N
-rxn:2:77257:128645,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(C2CCC2)C1,UMXUELCXGVSNAC-UHFFFAOYSA-N
-rxn:2:77949:91782,CC12CCCCC1CC(NC1CCC(S(=O)(=O)c3ccccc3)CC1)C2,YPMZLBQDYJQNAH-UHFFFAOYSA-N
-rxn:2:89209:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(C3CCC4(CC3)CC4)cc2)C2CCCC2)cc1,BOZGYBUKELHYOX-UHFFFAOYSA-N
-rxn:2:91863:148296,CC1CCCC1(CNC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc2c(c1)OCO2,MZNDJYFOPQYQMX-UHFFFAOYSA-N
-007EE43CB3E062A3_ABB9D15021387A0B_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(N=C[N]3C)C#N)(=O)=O,VXVWBLIMWOFHGA-UHFFFAOYSA-N
-011088B0D64EECD0_C67D100A7581AA6D_6038_UN,CCC(OC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CCOC,KTVMVKIECPIXJI-UHFFFAOYSA-N
-03571B5101C2284E_ADB0A4491C756049_6006_DP,CN(CC1CNC1)C2=NC(=CN=C2)C3=CC=C([Si](C)(C)C)C=C3,RAIHSZQBWFEXNS-UHFFFAOYSA-N
-03BF86A2CC9C7796_FFB476E4D3CB4853_6038_DP,N(C2=C1C=CC=CC1=NC=C2C#N)C(C3CC(CN3)(C)C)=O,LENOZYJQZHMSOF-UHFFFAOYSA-N
-048B47FDBAB9C450_B4A568E6983FAE79_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC(N2CCOCC2)C3=CC(=CC=C3)F,DTQKQTFNVAAXPG-UHFFFAOYSA-N
-0499CAA9BFC28CE5_D7359301350079ED_6003_UN,O(C1=CC=CC=CC1=O)C2=C(C=CC=C2C(OC)=O)F,JHCRTGGSUYNWHT-UHFFFAOYSA-N
-089B04EAFD165392_4489C4653C4AF6D7_7019_UN,C(C=CC1CCCCC1)=CC2CCC(C(C)(C)C)CC2,RIQNJUSBQLJESA-UHFFFAOYSA-N
-09C478A9D22CBF5B_4E19F395968E6A56_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC=CC4=C3OC(C)(C)C4)(=O)=O,FWHXJCZXRWEWBB-UHFFFAOYSA-N
-0B66357230FB0840_AA8F55D307E60DDD_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NCC2=C(CN(C(C)C)C)C=CC=C2,RXYSONIRFGHVLN-UHFFFAOYSA-N
-0C27A5944B7D6315_679D02F331370497_6039_UN,O(C1=CC=CC=CC1=O)CC2=C(C=CC(=C2)OC)OC,DKDLCQFCIUGWTD-UHFFFAOYSA-N
-0E71591D814A39A3_F31156904A273926_6029_UN,N(CCC1=NC=NC=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,VQBYIFWPQBUBRU-UHFFFAOYSA-N
-0FB74D9C96409419_0D2E4DEB9DE97C3D_7019_UN,C(C(=O)NC1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC=C(CO)C=C3,YNYQWELQXLZORC-UHFFFAOYSA-N
-1064D1CBBDECDDD0_01F9DA7B25EF8DAB_6041_UN,C1(=NC(=NC=C1)N2CCCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,ZOSYCMMBFXWELV-AWEZNQCLSA-N
-12DB86772A75FE97_43D68194FE5DDAAE_6029_DP,N(C1=CC(=C(C=C1)OC2=NN=CC=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,MTARSEICNRPKKB-UHFFFAOYSA-N
-1491C40CF43C25C4_71F5F79577768174_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(CCC3(C)C)C#N,IZZAKYRIYKBQFV-UHFFFAOYSA-N
-173A82A55ED08AB5_22AF9D01E3F19944_6038_UN,N(C1=CC=C(C=C1)C2=NN=N[NH]2)C([C@]34C[C@@H](OC)[C@H]3C4)=O,VERVCINDPFMJST-JTNHKYCSSA-N
-17B30544A14CE2E1_6F19C086BF1AF046_6003_UN,O(C2=C1C=CC=CC1=CC=C2)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,VZVRBFFYCPCCMT-UHFFFAOYSA-N
-1B324DD61A809281_A54B26A661D9ADAD_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=C(C=CC(=C4)[N]5C(=CC=C5C)C)C,ZDWVOTQVOZPEDR-UHFFFAOYSA-N
-1D03B22D6A0B6EC4_BAA648F8829B0F41_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,KZGGQQGACJHOKG-UHFFFAOYSA-N
-1E13C9CB16AE725A_A696B6D63F59DE93_6041_UN,CC1=C(C(=NC=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[S](=O)O,HSAQBMKGHOTNHC-ZDUSSCGKSA-N
-1F278D7C792FE171_A207CFB9233EAAA7_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC3CN2C=CC=CC2=NC3,ACEHXGYFSBCOBI-UHFFFAOYSA-N
-1FFE4FBC27A860C1_C1DA38F7AB465CF7_6038_UN,CC1=CC(=N[N]1C)CNC(C3=CC2=C(C)C=CC=C2O3)=O,DDHCYVNTAFPEDJ-UHFFFAOYSA-N
-204EB8E015832EE1_471154415396E425_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=N[NH]C(=N3)O)(=O)=O,RCWKEHGPWRSUTO-UHFFFAOYSA-N
-217EC884DC3F5EF2_A9D1A22905FA213A_6029_UN,CC1=CC(=CC=C1)C2(CCC2)N[S](C4=CC=C(C3CCCN3C)C=C4)(=O)=O,ZWSLEBHAHOJCIF-UHFFFAOYSA-N
-250010901A415D79_5D61E50411D58455_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(CNC)(C)C,QARAXIYGVXLMPS-UHFFFAOYSA-N
-256606E5DD12E498_E04A5D04B8AE7FA2_6029_UN,N(C1=C(C=CC=C1)C2CCC2)[S](C3=CC(=C(C)C=C3C)C)(=O)=O,QJNDLQGWJXJPRG-UHFFFAOYSA-N
-26020F9013675FEA_FCAC4CD13ECDB926_2875_UN,F[C@@H]1CC[C@@H]1[N]2N=NC(=C2)C(C3=CC=C(C(C)(C)C)C=C3)=O,MMCLJXDIQIUJRQ-HIFRSBDPSA-N
-2744F281E620D38B_DC10BD85DF56DA4D_6029_UN,CC1=CC(=CC=C1)C4(N[S](C2=CC(=CC=C2)OC3CCCC3)(=O)=O)CCCC4,SJLPAUUDADHDMB-UHFFFAOYSA-N
-28FCFEAEE3448C2A_EC29C55979BFBC6A_6038_DP,O(C1=CC=C(C=C1)C2CCC2)C(C3=C(CO)C=CC=C3)=O,GNRUIWRGOPYHQE-UHFFFAOYSA-N
-2AF915AAA9CAEF09_8D6880CDFD57BF54_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3(CC(C)(C)C)CC3,SKUWRUUNLJDFLW-UHFFFAOYSA-N
-2BC6745FD6B4E93C_E26F9590DE5679F6_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(OCCC)C=C3)CCl)(=O)=O,XMHVIEGSLDJDKO-UHFFFAOYSA-N
-2BD7C53C17CA4E2A_25AD54FE54EA29F6_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(O)CCOCC4,NUMFNGDPCPQBKB-UHFFFAOYSA-N
-2C58A3E525C0992A_88B80DA357EF2DF5_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,PRBLXNNXIZETMO-UHFFFAOYSA-N
-2D65E570A374F9C5_397F1FDE8E9EE74B_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3CC2=NC=N[N]2CC3,ACORDBDZVYCWDV-UHFFFAOYSA-N
-2DA5B4219D401B17_106D60415CD27EFB_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O)CCCC4,ZGBBBIKZXPHCHB-UHFFFAOYSA-N
-2F040E9223F6E2DC_4E82072BFEED2B5F_2201_UN,CC2=NC1=CC=CC(=C1C(=C2C3COC3)C4=CC=CC=C4)C,FWDHCOPILMJLGC-UHFFFAOYSA-N
-301F52E9320EA4C3_C0254D934B1C9A57_6029_UN,CC1(CN(C1)[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=NN=C(O3)C4=NC=CC=C4,NUFYJDHXFISIIT-UHFFFAOYSA-N
-31D4E71FBED45D5A_6AB3145D3634C847_6029_UN,N(C1C2=C(OCCC1)C(=CC=C2)Cl)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,FTKRBRWYZXUOOV-UHFFFAOYSA-N
-32D274FE3F24F486_86A086751F685792_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC3CCN([S](C)(=O)=O)CC3,JDNZOSLXDXILLE-UHFFFAOYSA-N
-336B9C08FFC8F848_93CC4ABBAD160D07_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C(C3=C(C)OCC3)=O,PHYLYEJZOCYMFR-UHFFFAOYSA-N
-3404E747CC589728_EA1DA7245C117A13_6038_UN,CC(C)(C)CCC(NC(C(C(N(C)C)=O)(C)C)=O)C1=NN=C[NH]1,QMKVANSDZWZCOS-UHFFFAOYSA-N
-3408A7A99F0D4FCA_45F0CD3980C11C4D_6038_UN,CN(C)C2=NN=C(CNC(C1=C(C)[N](C(=C1)C)CC#C)=O)[NH]2,UNQGXEPBTCBDGG-UHFFFAOYSA-N
-35441140179B9E31_19AA93C446C4F57D_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3CCN([S](C)(=O)=O)CC3,RLKXSJDARNBVAI-UHFFFAOYSA-N
-35CF168000E7374E_7423886B56BCD482_6029_UN,N(C1CCC(CCC1)C2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)CO)(=O)=O,VEPOMGWTOPMOFH-UHFFFAOYSA-N
-36849F2D6FB5AA26_E819FAD89A4D4753_6038_UN,CC2=C(OC(CN(C(C)=O)C1=CC=CC=C1)=O)C(=O)OC2,MQXMBSYMXSKXOX-UHFFFAOYSA-N
-3B10EF8B4EAD70F0_8E79ADAFDBC4DB07_6041_UN,F[S](=O)(=O)C1=C[NH]C2=C1C=CC(=N2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,RMACUVUHUKDIRR-UHFFFAOYSA-N
-3B7DD183753B092A_2596C407F0371DE2_6029_UN,N(CC1CCC2=C(CC1)C=CC=C2)[S](C3=CC=CC(=C3)C(C)Cl)(=O)=O,BOQQPNDUJBZQCA-UHFFFAOYSA-N
-3C7C99471FA54D73_BB350922C3274230_6041_DP,CCOC(=O)C1=NC(=NC(=C1)C(C)C)NC2=C(CO)C=CC=C2,UVIMDAOGWIXIPL-UHFFFAOYSA-N
-3DF3BA6DDEBA654D_6578ABE7D70D3197_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3CCCC3C4=CC=C(C)C=C4,ALEQSVQAJTUPDS-UHFFFAOYSA-N
-3F2CDBDCEC7A2CA5_8AE8FAFF0A7D2691_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,CYBOASIPDSQOIQ-UHFFFAOYSA-N
-40A8DBE4DF5C3865_486D17C7A08DE3F8_6038_DP,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C4C[Si](CN4)(C)C)=O,XFMMAOPYZAWOBI-UHFFFAOYSA-N
-41BF240AAF854DD9_7F6DBC003F67B7AE_6041_UN,CC1=C(C=C(C=C1)NC3CCN(C2=CC=C(C(C)(C)C)C=C2)CC3)CN=C=O,SKPJCTFXNHHXIZ-UHFFFAOYSA-N
-4220A3D5656409FB_F1D54AB9A0AC523D_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3(CCC3)C4=N[NH]C=C4,OARVAYIYLSYVBB-UHFFFAOYSA-N
-4227FB35E81DEC97_61C2679E35E634D1_6029_UN,N(C1CCC=CCC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,WQOGMXCKLQAEFU-UHFFFAOYSA-N
-42A90D0AAC0086E5_25AC5D49DB37ADAE_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,MAYDUGUCTWGBON-UHFFFAOYSA-N
-46812C2F81FD9B4B_0C9B15AB89A8FE16_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)C3=C([N](N=C3C)C)C,QEGROWAUQPGASN-UHFFFAOYSA-N
-46A2DE1F98F64E54_C23E47DDC6B7537A_6026_UN,[S](=O)(=O)(C1=CC=C(O1)C2CC2)N(C)C3CC(C3)C4=CC=C(Cl)S4,FCBJBVXGMKYWPL-UHFFFAOYSA-N
-493ED60DFB5048DE_2143DECAF2BBE2EB_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3C(C3(C)C)(C)C,PZLINPWCRIMYLH-UHFFFAOYSA-N
-49A67B2ACA9A8152_102ADFE48C5CEDCC_7019_UN,FC1=CC(=CC(=C1)F)NC(=O)C=CC2=C(CO)C=CC=C2,KTKGQFCZPLBIHA-UHFFFAOYSA-N
-4C931CF9C93FBC6D_945D7A529CF0B1C2_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(CC(C)C3=CC=CC=C3)O4)(=O)=O,VNJUXVDLYVDBPM-UHFFFAOYSA-N
-4E4E61BF34AECF58_AE7EB0B0F786ADDB_6034_UN,ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(CNC)(C)C,WEAXKCVASBDTIY-UHFFFAOYSA-N
-4E58F32A0987742C_159F5753D20641F0_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(F)C=CC(=C3)I)(=O)=O,BAFQUTSFHNDASM-UHFFFAOYSA-N
-4EB8096EEF8ACE0A_FBB1BCA869616AAB_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NCC4=C([S](C)(=O)=O)C=CC=C4,VGFIDPNQRUZYNA-UHFFFAOYSA-N
-5735EAA490FFC8CB_4E7FADAB7BEB45B9_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(C(C)C)(C)C,MJVZCZZGUKHAML-UHFFFAOYSA-N
-5AFE2B2963A8BCA5_C989EF3579BC9D07_6027_UN,N(C1=CC=C(C=C1)C2CCCC2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,UBKQJCHVQMMFTD-UHFFFAOYSA-N
-5C081562B4E821CD_7EF5A5E401A5E929_6041_UN,C1(=CC=C(C=C1)OC2=NN=CC=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,KBEWVXULIXQTQL-UHFFFAOYSA-N
-5D1FA42BFAB7160D_0645ECE5662AA483_6029_DP,N(C1C2=C(OCCC1)C(=CC=C2)F)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,DBJCIWSRONUMHJ-UHFFFAOYSA-N
-5DDEDC4CB292AED7_4C23951D1D8D2DD0_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CCN4CCN(C3=C(N)C=C(C=C3)Cl)CC4,LYHWYDSMXQRCQE-UHFFFAOYSA-N
-5F3795C414A4F18B_D48A2E524A048D28_6006_UN,CC1=NC(=NC(=C1)C2=CC=C([Si](C)(C)C)C=C2)C3CC3,UGTGBKZXRVGLHC-UHFFFAOYSA-N
-5FAF7FF2E54393A5_7139EF7AC96405E1_6041_DP,NC(=O)NC1=CC(=C(C=C1)N[C@@H]2CN[C@H](C(OC)=O)C2)F,NADZCAXTLJVYCN-KWQFWETISA-N
-5FD6120CB5970151_22178CE915253E1D_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC3CN=C2N(C=C(C)C=C2)C3,DPAVDTJXARGMJQ-UHFFFAOYSA-N
-5FE6AEE8D0DE264D_340FCABD14DB5922_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(CCCC(N)C4)O,LXUJPSBRLSZUBV-UHFFFAOYSA-N
-618831AF2A43E49E_45D80763E801E7DE_6029_UN,O=[N](=O)C1=C[N](N=C1C2=NC=C(C=C2)F)[S](C3=CN=C(N=C3)N4CCCC4)(=O)=O,ZDLMQKVOERJEIN-UHFFFAOYSA-N
-6378BC0E38577398_A87C43740055DD11_6041_UN,CC1=NC4=C(C(=C1)NCC3=C2CCOCC2=CC=C3)C=CC=C4C,RODMRALGCBCHJM-UHFFFAOYSA-N
-6660D464E7D48B07_B3CB2F9F36D5CAD6_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C(C(C)C)[N]3C4CC4)(=O)=O,BJBMVLVWUWERDR-UHFFFAOYSA-N
-678AAC2F3DC3CE2A_D54B6FE944B493E8_6029_UN,N(CC1=CC=C(C=C1)C2CC2)[S](C3=CC=CC(=C3)SC)(=O)=O,CONQJQOOPPFQPJ-UHFFFAOYSA-N
-67B9F29266B25431_438A666390FE9BAE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC=C(COC)C=C3,RFSFZQGACKLISN-UHFFFAOYSA-N
-6AA727922DD70F50_EBC1928727AD6ADE_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NC4CCN(C3=C([S](CC)(=O)=O)C=CC=C3)CC4)C5,UDVQRQFYQSDTJJ-UHFFFAOYSA-N
-6CCC2312AC175051_933D507872EB64AB_6029_UN,N(C1=C(C=CC=C1I)C#N)[S](C2=NC(=N[NH]2)C3CC3)(=O)=O,MYSKTQUSVSMWGO-UHFFFAOYSA-N
-6FC6784E8F5D15A9_2D9B45C8CA5A6AE8_6041_UN,CC1=C([N](=CC=C1)=O)NCC2=NC(=N[NH]2)C(OCC)=O,HDUAIFOQJXGOII-UHFFFAOYSA-N
-7021D1761C13668D_C3515B513A70ED52_6038_UN,O(C1=C(C(=CC=C1)F)C#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,WCSOIBPJBOFGHZ-UHFFFAOYSA-N
-7047E5A611F8B837_92273C812B011CB5_6041_DP,C2(=C(N=C1C=CC=CC1=C2)C#N)N[C@@H]3C([C@H](O)C3)(C)C,QSFFVVZRZNECPX-LSDHHAIUSA-N
-7088BBA35912293E_53646482830BC61C_6028_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(OC)C=C3)(=O)=O,ZXZZCAALELQOMA-UHFFFAOYSA-N
-72BE7D15A141ACDA_E0431ED29CD3C05F_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(C)CC(C)(C)C,YJZLQNSCGRIUOL-UHFFFAOYSA-N
-72BF2FAC52C80139_6AC7F116D7D566CD_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3(CCCC3)SC4=CC=CC=C4,MUIXJKLFFPVDSC-UHFFFAOYSA-N
-73616EA7403F5395_1C7342009E199208_6039_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OCCCC3=NC2=C(C=CC=C2)O3,FYDFLICDXAOSDS-UHFFFAOYSA-N
-740B66B77A7EAD6B_98269A7DACD0D650_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,UPHROUZCGLXOLK-UHFFFAOYSA-N
-7462A733457907A0_7A4E396DB825B60B_6041_UN,CC1=C(C=C(C=C1)NC3CCN(C2=C(CC)C=CC=C2)CC3)CN=C=O,FZBYTOPTGZXPFO-UHFFFAOYSA-N
-77528CB7BF1BBEFE_4C67A476A8C1B0F1_6041_UN,CON(C)C(=O)C1=CC=C(C=C1)NC(C(C)C)C2=N[NH]N=N2,WJFJDPIEYSSREL-UHFFFAOYSA-N
-7E872A3949362054_BB971B1FE34F3C6C_6038_UN,O(C2=C1CCC(C1=CC=C2)=O)C(C(OC)C3=CC=CC=C3)=O,VXWGZTSXFCNWSD-UHFFFAOYSA-N
-7E9F9FC9F66FFA09_CA9584D17A60E91C_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC(=CC=C5)C6CC6)(=O)=O,YCRTXWUOLBCOIB-UHFFFAOYSA-N
-7F5A29E2F3B5548F_4C2CD32F93B968C8_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NC3=CN=C([Si](C)(C)C)C=C3,MEOYVPMRVSCOEB-UHFFFAOYSA-N
-7FDAEFD75E816A95_3B6CD5E1249112E0_6038_UN,CC(=C)CCCNC(C[N]1C=C(C(N(C)C)=O)N=N1)=O,KKRZBLHHRAHIMB-UHFFFAOYSA-N
-7FFE781883510898_FD0346E9DC361027_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,KDDQQNUCDNOLPU-UHFFFAOYSA-N
-8201D40B2E3FBE5A_A0DE2D851D86D9D8_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC=CC(=C3)Cl)(=O)=O,ORXXKXABXVSNAW-UHFFFAOYSA-N
-82677B32AD9BC46A_D90BE04587907051_6004_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)C3=CC=C(C#N)S3,JTIFODHIEZILEG-UHFFFAOYSA-N
-833AEC47A2039B08_A3E17441A9650CC4_6029_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,YTWJAPNVGLYKSV-UHFFFAOYSA-N
-83524C1C8844BABA_E12A6AE42904C981_6035_UN,COCC(OC2=CC1=C(OC(CC1C)=O)C=C2)C3CC3,OJOSHVDQPCLIDY-UHFFFAOYSA-N
-86B7533CED0122D2_7E7B5E2126D975C5_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2CCN(CC2)C3=CC(=CC=C3)F)[NH]4,QYBWERQLSCWRSO-UHFFFAOYSA-N
-87F4C6378A86F236_9AC2C241CC902219_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,SFKBZTXTSHQAQP-UHFFFAOYSA-N
-888AE8FF062690CB_17BFCEF69DD3C0EB_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC(NC3=CC=CC(=C3)C(C)C)=O,CPHIAMUBARXNQE-UHFFFAOYSA-N
-8A12C5AB9A00B53A_97AF5E3E41FCD7B1_6028_UN,CC3=CCC(N[S](C1=CC=C(C=C1)C2=CC=CC=C2)(=O)=O)CC3,KWVOQCJLDRAQNR-UHFFFAOYSA-N
-8A1670D0B7323F08_F304193A7B7F7B58_6003_UN,COCC(OC1=C(C)C=C(C2=NON=C12)[N](=O)=O)C[N]3C=NC=N3,NJBPCSREKOHSIZ-UHFFFAOYSA-N
-8A8B91B134727F4C_0E674AF43C24CB79_6035_UN,CN1CCN(CC1)C2=NC(=CC=N2)COC3=CC(=C(C=C3[N](=O)=O)[S](=O)(=O)Cl)C,IQIWVUXWUKNLKQ-UHFFFAOYSA-N
-8B4A9A29AA817271_A096CE9F8C0D1B0F_6041_UN,CC(F)C1=CC=C(C=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,BBYDHTUWTDFEEW-FBMWCMRBSA-N
-8B77A957BA9B75C0_3EDF58F27D985E8D_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C([C](C)=[C]3C[CH2]C3)=O,BZTMNMUNPYHUTA-UHFFFAOYSA-N
-8C193187812AEC39_3E22B6E95EBB76BC_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=CC=C(C[S](C)(=O)=O)C=C4,HDOXMUYEPSHFPW-UHFFFAOYSA-N
-90756465C2BBB617_C4240B49CA70D3C8_6041_UN,CC1=CC=C(C=C1)SC2=NC(=NC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,APFHKQRZACWBFF-KRWDZBQOSA-N
-92D23093657831AE_0A8F4CDCADC42EB4_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@H]4C3=C(C=CC(=C3OCC4)C)C,APJGULQRBNSEIP-CYBMUJFWSA-N
-95A702E104238D75_E2386E4F8AF327D8_6004_DP,CN(CC1CNC1)C2=NC=C(N=C2)C3=CC=C([Si](C)(C)C)C=C3,PXJWOHKAFATGHJ-UHFFFAOYSA-N
-97A7AF9ABDD53DF2_72819B288C9AA0A7_6028_UN,N(CC[PH](=O)O)[S](C1=NC3=C(N=N1)C2=C(C=CC=C2)[NH]3)(=O)=O,NUODANLSTNQSAV-UHFFFAOYSA-N
-9AF3CF77D1FA3F6F_9D92F79BDD6104CA_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=CC(=C(C=C2)Cl)Br)(=O)=O,RDLGRISYCCWXLJ-UHFFFAOYSA-N
-9C2694F03C099680_7E44432D91E5BCA9_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC(=C(N(C)C)C=C3)F,AWRWJBBSDZBLDF-UHFFFAOYSA-N
-9D478F05FB33B22A_69B1140BD9825E60_6038_UN,CCC[N]1N=NC(=C1)CNC(C2(C(N(C)C)=O)CC2)=O,KLSKWYGUBJWHOJ-UHFFFAOYSA-N
-9E11FD618964C77D_C9C96D3CEC6F2861_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=N[NH]N=C3C)=O,LXFHFLZBNMBLKY-NSHDSACASA-N
-9F1AA92224AF0E1A_C6CA8982F693BF60_6039_UN,CC3=CN1C(=NCC(C1)OCC2=C(C=CC(=C2)OC)[S](=O)(=O)Cl)C=C3,ZTFCGHPAHYPZSU-UHFFFAOYSA-N
-A02981120FE1D62D_2E6A024FD94D64A3_7015_UN,N(CC1=CC=C(C=C1)C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,MTOCWQYKIHZFJG-UHFFFAOYSA-N
-A1DEB418A7DEB65B_F5835D4742203830_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=CC(=C(SC)C=C3)C,ZRGXEBDSCIDYAG-UHFFFAOYSA-N
-A2A8B3E45ECDF723_ABE2D948C379DE00_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,KXECBVHHJKRBLS-UHFFFAOYSA-N
-A31FCD25E6F9CDFB_9526C40E429F0A62_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4(C3=CC=C(OC)C=C3)CCCCCC4,MICZDENLUHRMNZ-UHFFFAOYSA-N
-A9FB37EDFB246862_AB06BA4F6FB72EC7_6029_UN,CC1(CC(C1)N[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CC=CC=C4,PQOPIPMOGXAYQT-UHFFFAOYSA-N
-AE672EA00941FFA7_B77B0A3F00998140_6036_UN,C1(CCCC1=C2CCCC2)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=CC=C(C=C4)I,DITOYXFOCXUGQO-UHFFFAOYSA-N
-AE821DB231E4724A_F5A092CB20AC4865_6029_UN,CC1(CCC(CC1)N[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CC=CC=C4,OZGMEUHPYFRPRJ-UHFFFAOYSA-N
-AFA3D4752B2C8DEF_14E454AA2824751D_6026_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)N5CCC(=C3C2=C(C=C(Cl)C=C2)CCC4=C3N=CC=C4)CC5,KRTQZQSSINMFCW-UHFFFAOYSA-N
-B09C7EEA6805E102_23ECC863F89BDADA_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CN=C(S4)N5CCCC5)(=O)=O,GRDBVQQKJIKEOQ-UHFFFAOYSA-N
-B0AD1D322218BA9B_6F34DC4FCD5F85DA_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C([N](N=C3C)CC4=CC=C(C=C4)Cl)C,LBMTXXUBTMDYQK-UHFFFAOYSA-N
-B0C27A73D3F96E2B_F4357858BE54B234_2875_UN,O[C@H]1CCC[C@@H]1[N]2N=NC(=C2)C3=CC=CC(=C3)[S](C)(=O)=O,KRRNJURUPYQVQU-KBPBESRZSA-N
-B15AC37D2593D18C_4644AA32B2BD794F_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC(N2CCOCC2)C3=CC=C(C=C3)F,WGIXNJRRRZSFEJ-UHFFFAOYSA-N
-B3D3D57835E18B97_EAC32067ADFDA5B2_6034_UN,O=[N](=O)C1=CN(C2=C1C=C(C=N2)Br)CC(CC(C)(C)C)N,NXIPFHMNYQGLIT-UHFFFAOYSA-N
-B4729EB99D57082C_34242D433D8A54D8_6031_UN,O(C(=O)CC(F)(F)CCl)CC2=NC1=C(C=C(C=C1)C(F)(F)F)S2,YNGSSUBOIRJDJV-UHFFFAOYSA-N
-B484155E0C4D674D_9DE55DDD1908C549_7019_UN,CC1=CC(OC(=C1)C=CC2=C(O)C=CC(=C2)C3=CC=CC=C3)=O,ZWWDLPLNWGATTI-UHFFFAOYSA-N
-B5C5B6421261F1DB_B0AADDF1CB3B7CED_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=N[N]3C4CC4)(=O)=O,HHXCWNFCTKJZPE-UHFFFAOYSA-N
-B613BC1C3CEEB4AC_788B31ED5E4ECCDA_6029_UN,CCC1(CN(C1)[S](C3=CC2=C(OCC[C@@H]2O)C=C3)(=O)=O)C4=CC=CC=C4,IMAVIZDXMYUWBN-SFHVURJKSA-N
-B66E73C11391A16A_9BCB2391399F2B14_7019_UN,C(C1=C(OC(O1)=O)C2=CC=CC=C2)=CC3=C(O)C=C(C=C3)C4=CC=CC=C4,LKPMOTPSOVXNQW-UHFFFAOYSA-N
-B687AD447CF027A1_8A1DFFF07F22609A_6041_UN,O=[N](=O)C1=NN=C([NH]1)NCC2=C(N(C(C)C)C)C=CC=C2,JZHIZUQLBNZTCG-UHFFFAOYSA-N
-B7EDF49D0826292B_5A9AFF66E2C6FC4D_6026_UN,CSC1=CC=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3,KLKPMDWMFVQCIG-UHFFFAOYSA-N
-B938A83F0992253E_391C18FC0B4C3FD7_6027_UN,N(CC1CCC(CC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,JMXJEKHCAWVEGR-UHFFFAOYSA-N
-BA4CD5EBA195D98C_9A2C220C52B7A2C0_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC(C)(C)CN2CCN(CC2)C3=CC=CC=C3)[NH]4,HNXDRVIAZFZGGL-UHFFFAOYSA-N
-BEB38C605A0CF13D_BE6FA75FC2218ABC_6029_UN,N(CC1=CC=C(C=C1)C2CCC2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,ZPKLANXMIASUMA-UHFFFAOYSA-N
-BEDBFD51F2E4600B_58CA7DD47FA772C7_6029_DP,FC1=NC=C(C=C1)C2=N[N](C=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,BVNHBMUISVDTHA-UHFFFAOYSA-N
-BF1D206EEFC20ADD_3C856773E5DD086F_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C4=C3OCOC3=CC(=C4)CBr)(=O)=O,BBOFLPZETHCUEN-UHFFFAOYSA-N
-C03132878AC7B599_9F3CEFBF99921F77_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)NC4C3=CC=CC(=C3OCC4)C,FZFUEILPNQHTNX-UHFFFAOYSA-N
-C64BE3782AFA2FD7_443B7E4F3CFF0B62_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CCC3=C(OC)C=CC(=C3)Cl,CQXNEZIIIBVXRR-UHFFFAOYSA-N
-C8526D1930F9C508_B48F00AD4403ADEF_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,FYHAMVUAHIRFCP-UHFFFAOYSA-N
-C88B0C0656EDC407_92557D46C3746C5F_6029_UN,N(C(CC1=CC=CC=C1)C2CC2)[S](C3=CC=C(SC)C=C3)(=O)=O,QDGDNRWJDHXFBJ-UHFFFAOYSA-N
-C892396A38DB92E0_751137A958429364_7022_UN,C1(=CC(=CC=C1)C(F)F)OC2=CC(=CC(=C2)OC)OC,OIJJUHQTLUFPGC-UHFFFAOYSA-N
-CA70FF36BB1A6C7F_5E89BEDFF59DE86A_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(C4C(C3=N[NH]C(=N3)C)C4)=O,MERHURDJELOJTE-UHFFFAOYSA-N
-CBEB231E3BC99C8C_E19F8FE29798F69A_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,CXDIRXNYOOCYJW-UHFFFAOYSA-N
-CBF99CD62E7F5B9D_2131144C6C52851D_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C=C5)C6CCC6)(=O)=O,LDOBMJIWNIJXBZ-UHFFFAOYSA-N
-CC3B28908D610CB5_CB2A0450B4055F4B_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3(CC3)C4C5=C(CCC4)C=CC=C5,WREPNUZMDACBCV-UHFFFAOYSA-N
-CE815003E5278F12_9CAE64CF692006FB_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CC(CC(CC)C)N,SQEIUJYUFWRIIG-UHFFFAOYSA-N
-D031CF92F48CD120_2F1BB558B1BBD662_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2=CC=NC(=N2)N3CCN(C)CC3)[NH]4,RAAYYHGHOIWBRX-UHFFFAOYSA-N
-D212F91F4D8B5DDF_4A0385251A9A43ED_6029_UN,N(C1=CC(=C(C=C1)N2CCSCC2)Cl)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,OKXGFYBTPYNCAM-UHFFFAOYSA-N
-D7A4E3E5BAF254D1_BD60F81F9DB86C37_6034_UN,ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(C(C)C)(C)C,HCAQSTGMRCCYBE-UHFFFAOYSA-N
-D7E30BBBF809F517_53ED64AB2EC73B45_6038_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)C(C3=C(C)OCCC3)=O,SMDCKAAUWWJGNM-UHFFFAOYSA-N
-D80D112FB543E11E_86145CE8AD5230B4_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC3CN=C2N(C=C(C)C=C2)C3,KPQCDFHWFCWEAB-UHFFFAOYSA-N
-DAA75D2BD22FEEAB_5388742973B7B4ED_6029_UN,ClC1=CC(=CC=C1)C2=CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,PGWOJAABGIYBBZ-UHFFFAOYSA-N
-DBEC8ABEF2D56DEA_C4BB47A22BEB213F_7022_UN,C1(=C(C=CC=C1)COC2=CC=C(C=C2)F)OC3=CC=C(C=C3)O[S](=O)(=O)O,PLQCSUCQPACKCE-UHFFFAOYSA-N
-DCC48D41F5F4CCA8_5EA600D20F177BCF_6041_UN,COC(CC1=CC(=CC=C1)N[C@H]2[C@H](OC)COCC2)OC,BTDCHASNTGZJEZ-HUUCEWRRSA-N
-DF954C5CDA810E56_131D66D29B3665D3_6041_UN,CC2=C1C(=NC=NC1=CC=C2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,VGUJNMXJDLIQFB-UHFFFAOYSA-N
-E2C047C1D18BFD22_76940FCA3F797AAF_6038_UN,CCC(=CCOC(C1=C[N](CC(N(C)C)=O)N=N1)=O)C,OZPNKBYHECIVLA-UHFFFAOYSA-N
-E34F93B467D3BE9A_03DE96787F1C9E4C_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C)(CC3=CC=CC=C3)C4CC4,JZBPLKLRYNLKAY-UHFFFAOYSA-N
-E403F85256D9160E_B6FEB64D7F6006A6_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC3CCOC4=C3C=CC=C4)C,ULMZHKBDPDKTSM-UHFFFAOYSA-N
-E4176F4C3DCF99E9_6659617634843C3A_6041_UN,C1(=CC=C(C=C1)C2CCCC2=O)N[C@@H]3[C@H](OC)COC3,FGGSXLCQJKXLNK-JGKCFBKVSA-N
-E4176F4C3DCF99E9_8F8E6CB52DF1CA72_6041_UN,C1(=CC=C(C=C1)C2CCCC2=O)N[C@@H]3[C@H](OC)COC3,FGGSXLCQJKXLNK-JGKCFBKVSA-N
-E43DFF9AAB7BC108_96A954577DCA867A_6038_DP,N3C[C@@H](OC(C2=C(OC)C=C1OCOC1=C2)=O)CC3=O,PSTHSGWJLGCVHC-ZETCQYMHSA-N
-E69DA98C6F2552B9_C75C48679D127A42_6029_UN,N(CCN1C(OCC1)=O)[S](C2=C(C)C=C(C(=C2)CCl)Cl)(=O)=O,UEWGSMYHBGXCBD-UHFFFAOYSA-N
-E9B7337D1C852E1A_9637460518F602D2_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NC4CCN(C3=C([S](CC)(=O)=O)C=CC=C3)CC4,JMYBMMLOGIRDOA-UHFFFAOYSA-N
-EB22F0CA5C09BD45_FB7FFD28FA916D11_7022_UN,C1(=C(C=CC2=C1OCO2)F)OC3=CC=CC(=C3C)OC,ZKWSRWDBJLDZMG-UHFFFAOYSA-N
-EB4C317178B473C0_89620BCDED320711_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,PVOZMWWICUWWNF-UHFFFAOYSA-N
-EB9F87F31F712F12_3D2EA29622E8B2EE_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC4(C3=CC=C(C)C=C3)CCC4,WXRCZYNXXWDXSH-UHFFFAOYSA-N
-F2ACD909355A051C_7785B48DE517F5CA_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2CCN(CC2)C3=CC=C(C=C3)F)[NH]4,ZLIMAIOCEXGNGD-UHFFFAOYSA-N
-F381AB136460DD02_3B3D3D6A37DE61DA_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,IOPOPDKZVUJBHW-UHFFFAOYSA-N
-F3CDF9387D703A15_A0C0F77C8778941F_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(C(C)C)(C)C,BIAVXXSMZUHFLA-UHFFFAOYSA-N
-F3E90F4FC71C718C_B3DEBFD3ED4655F3_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC(CNC)(C)C,JZLHKMHJJIMIEB-UHFFFAOYSA-N
-F43B4C5DAEE5D44D_B0EC5CB80A112EA8_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C(N(C)C)CC=C)=O,CETCUNWZABMVKS-UHFFFAOYSA-N
-F634F5076FE97021_84811317C92DAD2D_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]4C3=CC=CC(=C3OCC4)C,FZFUEILPNQHTNX-SFHVURJKSA-N
-F6BD0C31D4D4763D_67697BF0B41162FC_6039_UN,O(CCN1C(=O)CCC1=O)CC(NCC(NC2=CC(=C(F)C=C2)F)=O)=O,BXZOJHPNWFBSCV-UHFFFAOYSA-N
-F75ABC1C974099B9_69C41B97A836AF0B_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CC(C(C)(C)F)(C)F,HRBPJXJGGJJWAP-UHFFFAOYSA-N
-F89B326D33ADE282_238DF50415563DDD_6026_DP,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC4=CC3=C(OCCNC3)C(=C4)Br,FYLVDPMOXYRDCG-UHFFFAOYSA-N
-F8B29BD7BD760AB8_8D00C2C8F0984D87_6034_UN,CC(C)(C)C1=CC=C(C#N)C(=O)N1C[C@H](C2=N[NH]C(=N2)C)N,UOVDIUNDDXIUNS-LLVKDONJSA-N
-F9E8E9EB6EDEF6D7_E0B5CC4BDDCE4BCF_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)COC2=CC(=CC=C2)F,BVLIZCRBBPAQBG-JTQLQIEISA-N
-F9EB4220775BCA56_31848FD51770613A_6038_DP,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4(CC)CNC4)=O,RMBKROFPESMGCB-UHFFFAOYSA-N
-FA686A12C83E8953_3A23FA031BFA5AC9_6029_UN,CC2=CCC(N[S](C1=C(CCC)C=CC=C1)(=O)=O)CC2,SEKGYLHXPXHJHK-UHFFFAOYSA-N
-FC0431A76FCDDEFD_DC0E0887C598EB6F_6041_UN,C1(=CC(=CC=C1)C2CCC(=O)C2)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,MFYHWADCYJUXAD-UHFFFAOYSA-N
-FE612251F0639DD5_18048A6ED7B85740_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,KAQJPJLDYMHVMO-UHFFFAOYSA-N
-FE7A492D8172EE18_4E42B514AA54F9FF_6041_UN,C1(=NC(=N[NH]1)C2CC2)NC3=C(C(N(OC)C)=O)C=CC=C3,YEDSADREGMDBEJ-UHFFFAOYSA-N
-rxn:1:63179:12604,COC(=O)c1cccc(N2CC(Cn3cc(-c4cccc(C(=O)N5CCN(c6ncc(Br)cc6C)CC5)c4)nn3)CC2=O)c1,PANVLSSWVSQJFE-UHFFFAOYSA-N
-rxn:2:100080:149479,COc1ccc(C2CCCCC2)cc1NC1CC2(CCS(=O)(=O)CC2)Oc2ccc(C)cc21,FPYSBZKWHLEDAE-UHFFFAOYSA-N
-rxn:2:101295:160422,C[C@H](NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1cccc(N2CCN(C)CC2)c1,GAAZFXBDWQEHSL-FQEVSTJZSA-N
-rxn:2:105587:148822,CCC1CCCC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,KFADKHCAVTUVSQ-UHFFFAOYSA-N
-rxn:2:107542:151416,Cc1ccc(C2CCC(C)CC2)cc1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,NLWDIVVCRTVNBN-UHFFFAOYSA-N
-rxn:2:109150:102111,CCC(N[C@@H](c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)CC1,MIWWKBKPXMHBDK-FOIFJWKZSA-N
-rxn:2:120960:148822,CCC1CCCC(c2cccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)c2)C1,ZMPMZMMKPPWLOU-UHFFFAOYSA-N
-rxn:2:121922:151416,CS(=O)(=O)c1ccc(CC2CCC(Nc3cccc(C4CCC5(CC4)CC5)c3)CC2)cc1,YKXUPGMDJBELOB-UHFFFAOYSA-N
-rxn:2:135548:82432,CC1CC(NC2c3ccccc3CCC2S(C)(=O)=O)CCN1C1CCOc2ccccc21,QAUSYYDSTWLJLC-UHFFFAOYSA-N
-rxn:2:138627:95293,CC1(C)CC(N[C@H]2CCOc3ccc(S(C)(=O)=O)cc32)c2ccc(N3CCCC3)cc2O1,UNYYTKIFGBMHDG-HMTLIYDFSA-N
-rxn:2:159323:109488,CCC(Nc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C1CCCN(C2CCCCC2)C1,PFBXEDYMQSUXCD-UHFFFAOYSA-N
-rxn:2:67832:137213,CCC(Nc1cc(N2CCCC2)ccc1S(C)(=O)=O)c1ccc(N2CCN(C)CC2)cc1,LQBLZIQFRNCMMY-UHFFFAOYSA-N
-rxn:2:81031:151416,CCc1cccc(C2(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)CCCCC2)c1,VHYUATXAINNKQI-UHFFFAOYSA-N
-rxn:2:84534:148296,CSc1ccc(CN2CCCC(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)C2)cc1,DEAQYEARYUTSIW-UHFFFAOYSA-N
-rxn:2:92503:148822,CCC1CCCC1(C)NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,JYNVJXLQZVBOKI-UHFFFAOYSA-N
-rxn:2:94831:148822,Cc1cccc(CN2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CC2)c1,LSPCMCWGOLZSBS-UHFFFAOYSA-N
-0034FDACB5A7A73D_2993D9F02EA7C647_6041_UN,CC(C)C1=NC(=NC(=N1)NC2(CC2)C3=C(C=CC=C3)F)N(C)C,NBTNRQNWOJZOSU-UHFFFAOYSA-N
-045B58A0CD87A768_3E0280B14BD49080_6038_UN,CCC(C)C(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CN(C)C,HDAQQBWYYXKXMT-UHFFFAOYSA-N
-05F39179B9EF019F_4B6C024E9D713DF2_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NN=C([N]3C)C4=CC=C(C=C4)F,UYOOFAFTRDKMPO-UHFFFAOYSA-N
-0F19F2D1204B5F0B_A9BD274B57C2A82E_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,GPDSSXRGHTXVBS-UHFFFAOYSA-N
-0F23D576793EA403_41FF5C659AB5312B_6038_DP,N(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)C(C4=CC=CC(=N4)O)=O,AFLRXCWCEPGQOM-UHFFFAOYSA-N
-0F5CD5B68DD6126E_B45E151A1606937C_6041_UN,COC1=C(C=CC=C1)C2=NC(=NC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,GWTBBCTXODBPCJ-KRWDZBQOSA-N
-0FDB81703D675C69_668F1D9F3FA10075_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N2CCC(C)CC2)C=CC(=C3)F)[NH]4,YDYOUKWYSPHTQR-UHFFFAOYSA-N
-10D18D096B05E835_A7AA832D7C87883D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC(CC3CCCC3)CC4=CC=NC=C4,VGRONTGQBMTCSH-UHFFFAOYSA-N
-15E0E46CB4F7F828_F778B6EA318F652A_6041_UN,O=[N](=O)C1=CN=C([NH]1)N[C@H]3[C@H](C2=CC=C(N(C)C)C=C2)C3,WILFYXJOYLZFNY-NWDGAFQWSA-N
-15EB54763C8AA08F_4ED938BC25A71070_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=C(CCOC)C=C2)(=O)=O,HSVIVFIANLWFCS-UHFFFAOYSA-N
-170AE3179120B9D8_383FCC04741C203C_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(C3CN=C(N)CC3)=O,HLCKJBMGMRFXEB-UHFFFAOYSA-N
-19F1050B8EC063B1_FB6A681F24BD562C_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC=C2)C(C3=CC(=NC=N3)C)=O,IPBFMGDNTLLGJM-UHFFFAOYSA-N
-1A4F1AAD93C4310B_F50CE3B0954ED354_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](C)N=C3C4=CC=N[N]4C)=O,AOTHIIAQDBRYSE-UHFFFAOYSA-N
-1B1BC68FAB4DEA19_D4290E61E730F803_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3([S](CC)(=O)=O)CC3,MXQQIVOWFWXTRB-UHFFFAOYSA-N
-1BE87E89E56A5170_7F22C87C9881C5B2_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(OC)C=C2)C3CC3)=O,BXRANZMNCYNYKK-UHFFFAOYSA-N
-1C91F20CC1351A61_F0EF2B4A240C2587_6029_UN,N(C1=C(C(=CC=C1)C(F)F)Cl)[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O,YVAAUICQELKRBI-UHFFFAOYSA-N
-1CCFB762DDF9F37D_8CC4BF7B1C2AB268_6039_UN,O(CCN1C(=O)CNC1=O)CC(C2=C(C)[N](C(=C2)C)C3=NC=CS3)=O,BLYBQHAVUVXWIN-UHFFFAOYSA-N
-1DD2EFA6CE530FEA_AC672EB1CCD19A3E_6029_UN,CON1C(N(CC1)N[S](C2=CN=C(N=C2)[N]3C=CN=C3)(=O)=O)=O,JNUXTYLTBQTQGE-UHFFFAOYSA-N
-1F50701818AE0E1E_5AA4BBB0C9961B29_6038_UN,S(C1=CSC=C1)C(=O)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4,AFEHBVPIQMTYRV-UHFFFAOYSA-N
-1F97B34D62249B6D_BF0F1AEFFC82979B_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=NC(=C(C)C=C3)F)=O,ZAQLPWUBPSMMHX-UHFFFAOYSA-N
-21B82AAE1D6FF701_CA2F7F8CAC515182_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)F)C=C3)(=O)=O,HMGSTHQXZJGMDV-UHFFFAOYSA-N
-220943A59DD47117_49482D51F0263116_6028_UN,BrC1=CN(N=C1C2=NC=CS2)[S](C3=N[NH]C(=N3)C4CC4)(=O)=O,SQXLCSXYVQAZRT-UHFFFAOYSA-N
-225E646ED9AB2F4C_CDDAB6CFDDAA5191_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC[C@@H]3N(C[C@H](OC)C3)C4=NC(=CN=C4)C,RYIOELDNOBWWCY-HUUCEWRRSA-N
-22AA5D0485150CA2_05A4F6988FA08D0D_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3([S](C)(=O)=O)CCC3,QBACABFZENDBMS-UHFFFAOYSA-N
-22FC12091AE8CC57_EE15A2466EB764EB_6038_UN,CCN1C(OC(C1)CNC(C(C)(C)C2=N[NH]C=C2)=O)=O,JLZUYJMGFCWTQU-UHFFFAOYSA-N
-236E88B67C681EE0_2EC8F3DC2658A157_6039_UN,O(CCCN1C(=O)CNC1=O)CC2=CN=C(C(OCC)=O)S2,QNOCUEZPUGQCQL-UHFFFAOYSA-N
-236E88B67C681EE0_8606022090E15358_6039_UN,O(CCCN1C(=O)CNC1=O)CC2=CN=C(C(OCC)=O)S2,QNOCUEZPUGQCQL-UHFFFAOYSA-N
-24CCEABF40B74231_88FBDB2BBF309CEB_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3)Cl,ZPQXAPUNCPSNND-UHFFFAOYSA-N
-282804CF142BB9DE_BC75098898209DBF_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)CBr)(=O)=O,PTYRNTHPCQWXLA-UHFFFAOYSA-N
-28E8CC33B227C665_FBAD91AE8295D3FE_6003_UN,O(C1=CC(=CC=C1)C2=CC=CC=C2)C3=C(C=CC=C3C(OC)=O)F,TYPNNVPMUMHNOI-UHFFFAOYSA-N
-297CEFF2DCBC1D58_E8A408A35D0F7DB5_6038_UN,CC(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)CCC(=C)C,KLXDOCCCJARLMU-UHFFFAOYSA-N
-2B80EED2D9CD25A9_B9BE78478B32FC0C_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3(OC)C[S](CC3)(=O)=O,UDUIFAIAYXKOSS-UHFFFAOYSA-N
-2D0B7C6E34489D51_433B3927E0813E0F_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CN=C(C=C3)C4=NC=C[NH]4,QYABVZBBSVIRLD-UHFFFAOYSA-N
-2DD09B4F7E2F47B8_2DA54CC9BA4C6DC3_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3C(OC(C)C3)=O)C,JFHYRKFMQHOGQQ-UHFFFAOYSA-N
-2E19C2E97610BB39_DE2698090513D370_6004_UN,C1(=CN=C(C=C1)C2(CC2)C#N)C3=CC=CC(=C3)C(N)=O,QGPQXZRWGDOMGK-UHFFFAOYSA-N
-2F1C880A723C9015_6019B832222AF09A_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=C(CCC)C=CC=C2)(=O)=O,XHTPMRIULNSXCY-UHFFFAOYSA-N
-31C202A408FE05D7_3E782D64E9691F53_6039_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)CC3=CC=CC(=C3)[S](F)(=O)=O,UGHZLVOXGFATPY-UHFFFAOYSA-N
-31D44F584F62AAB5_AC8C7054773F410E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](C)C=N3)=O,ZAQVHUAMWVOLBB-UHFFFAOYSA-N
-321410230547D986_0CB395AE17A8C991_6038_UN,CC1=C(C=NN=C1)NC([C@@H]2C[C@H]2C3=CC=C(N(C)C)C=C3)=O,RQCMZQSGEWIRFD-LSDHHAIUSA-N
-34740801F8434530_3C428F78015764B2_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@@H](C)C(=O)N(C)C)C,LSPKXRFIVUHIKT-NSHDSACASA-N
-365ED546E5039833_C8D253B41EBA7DE5_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N(C3=C(C=C(F)C=C3)I)C4CCC4,MWKGCGUZTTYYSL-UHFFFAOYSA-N
-36F7375951291950_6B4945C6BEEE8812_6038_DP,N1CC(C1)C(NC([C@@H]2N(C)C(CC2)=O)=O)C3=CC=C(C=C3)F,BOSUPIDSCQUPMC-AFYYWNPRSA-N
-374B5A007608E967_AEC0FF076A167792_6041_UN,O=[N](=O)C1=CC(=NC=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,PQUXEJARXLTEIT-OAHLLOKOSA-N
-3861DDEFC360CFAB_49282C6AF7444CB0_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,RLUGDYDACMVGKB-UHFFFAOYSA-N
-388014E1CDE4F4CB_743025BB92827B8B_6039_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)CC3=CC=CC(=C3)[S](Cl)(=O)=O,ZCONGGDSCBUPJN-UHFFFAOYSA-N
-3A6078D312D3540D_713388713A8492EF_6041_UN,CN(C)C1=NC(=CC=N1)N[C@@H]2C4=C(OC3(C2)CCC3)C=CC(=C4)F,FFGWSTZIKFPORI-AWEZNQCLSA-N
-3BF3217497167537_665B96E6B30CD3F9_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3CCCC4=C3C=C(OC(C)C)C=C4,YFBSZZBOBHIKEQ-NRFANRHFSA-N
-3E3F758FEC2835AE_326C6D9A1004DD35_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NN=C([N]2CC(C)=C)C3=CC=NC=C3)(=O)=O,PFIAUAJHAJRNBH-UHFFFAOYSA-N
-3F6665CAE80B7B3C_B87AF4101D061126_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C([N](N=C3C)C4=CC=CC=C4)Cl,XMQZYGVQARALAW-UHFFFAOYSA-N
-3F86D1736D5A8D8D_44B49342624C2869_6027_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3)[P](C)(=O)C)(=O)=O,OZKOVVPAVOBMGY-UHFFFAOYSA-N
-400EEAFD80D86549_48487807FE4A1DE3_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(CC2=NC(=NO2)C)C3=CC=CC=C3,IWVKPRYLGWZGJJ-UHFFFAOYSA-N
-4289588582FDEE24_041BEAA151543E43_6041_UN,C2(=C1C=CC=CC1=NC=C2)NC(C3=NC=C[N]3C)C4CCOCC4,KDUHHLOGNDVGSG-UHFFFAOYSA-N
-435CBF284D60478E_27216DD9E8C90041_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=NC=NC4=C3N=C[N]4C)=O,BDTDJYOABPUKTH-CQSZACIVSA-N
-456DACC29A7EF1E8_E68B5A05AA75B9AF_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=NC=C3)OC4CCC4,OSEHODVKCYJKAY-UHFFFAOYSA-N
-47DBEC683267F07A_EA911C73F8E92194_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NCC3(N(C)C)CCSC3,MISRPKHCFPXHHY-UHFFFAOYSA-N
-49CE87ABFB7D562B_9F8A49F5BB54AC3C_6029_UN,CN1C(OC2(C1)CN(C2)[S](C3=C[N](N=C3)C4=NC=CS4)(=O)=O)=O,RCEHWFNUNCTLDG-UHFFFAOYSA-N
-4AEA070281D182BD_79979212C5F8D0B7_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NCC3([S](C)(=O)=O)CC3,INKASCMUANBLSR-UHFFFAOYSA-N
-4AFBFC70AA440779_D35E814033B1CD46_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CC(C(OCC)=O)C)N=C1)(=O)=O,YHKPHELPMZWTGB-UHFFFAOYSA-N
-4C682E4E42E32287_6C082795C4E0EA19_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NCC2(C(C)(F)F)CC2,KARVTHFFGRYNGQ-UHFFFAOYSA-N
-4CA7DD6DB8DCEA49_E85D902823EE7DDC_6029_DP,FC1=CC(=CC=C1)C=C2CCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,MIGXAVOZSAUDIY-UHFFFAOYSA-N
-4E2C02252E3B8577_E6E81753CB72A689_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,BWTNOCYYEAYYLR-CYBMUJFWSA-N
-4FCE0F265D04BCE9_FD2D06A94999F5DA_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4CCCN(C3=C(C=CC(=C3)C)F)C4,WCGMDGCIJYECOO-UHFFFAOYSA-N
-51672A92E508286D_5022DDB21F28E798_6038_DP,N(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)C(C4=CC(=NC=C4)C(O)=O)=O,KNLUPDCLEFNHTP-UHFFFAOYSA-N
-52BE9EDA185EA198_DEB6082A1AADA4E4_6038_UN,CC1=CC=C(C=C1)C(=O)CNC(C2=C[N](CCCC)N=N2)=O,RUPCKOWXWFBNJE-UHFFFAOYSA-N
-532962A9070B5923_7AD4C9E11773C8C5_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)CCC2=CC(=CN=C2)F,YLNWNPVLFGADQM-JTQLQIEISA-N
-533FD64B74F9263A_9B4FB3B0599A5316_6034_UN,ClC1=CC=C(C=C1)C2NCCC3=C2N(C=N3)CC4=CN=C(N(C)C)[N]4C,JEPLAYBMPVOIAT-UHFFFAOYSA-N
-5346CB8029A8BFFD_6752BCD4AFCAAB11_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3(CCCC3)C4=CC=NC=C4,QSGHAGRKXWBJCB-UHFFFAOYSA-N
-5475FBE277611FC2_234DEC3A8E8B0845_6034_UN,CC(C)C1=NN=C(N)N1CC2=C(N(C)C)C=C(C=C2)Br,IVNDSOYBXVNYJZ-UHFFFAOYSA-N
-55389E0BB2F5FA04_AB0F6A96C6D97147_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=NC(=NC=C3)C4=NC=CC=C4,WSOUVOHSTFDSNY-UHFFFAOYSA-N
-56ADCBF330864A5B_370B274219CCC31D_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC4(CC3=CC(=CC=C3)Br)CC4,JGVZITLRZXDPMV-UHFFFAOYSA-N
-576C4F528B908DCB_3D7DEEA822914F01_6038_UN,COC1=CC(=C(C=C1)OC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,KLPOVEAWNNWRCX-UHFFFAOYSA-N
-57AE97FCBECA2FA9_A7E208CD4B8ED0E8_6034_UN,FC1=CC=C(C=C1)C=C2CC(=O)N(C2=O)CC=CCC,IFKNIEKCXOKCLV-UHFFFAOYSA-N
-57FD9D3842A03C30_0239E228C5F128A4_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,DODFKFGENMVXET-OAHLLOKOSA-N
-585C4F4460BA9C05_9BF162F9D9A53CA3_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC2C3=C(OCC2)N=CC=C3,RYPBPNXCJINFPT-UHFFFAOYSA-N
-593434F69EC9F863_38102AEDEE7CC678_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=C(CC)C=C2)[N](=O)=O)=O,RQKGUSQAGCYJHW-JTQLQIEISA-N
-5945161EA29ECA2D_888199F02421CD83_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3,HWHAMCYELMRTOX-CQSZACIVSA-N
-5A497C05EC8134D1_9DDF7E6B65E6C510_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CC4,AOEZRTUXWAORRR-UHFFFAOYSA-N
-5D2DEC0D6C58535D_F787BA8CD1015696_6038_UN,COCCOC1=NC=C(C=N1)NC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,XHPBDGHXILIKGQ-UHFFFAOYSA-N
-5E5705CE57BB02F5_C6CF3EA108B034D8_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CCCCC[S](Cl)(=O)=O,JMTKAWATWTVNNA-UHFFFAOYSA-N
-61D562310AA6F150_543B7AEFC2E7829B_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CN=C(N=C3)C4=NC=CC=C4,XBYOXUNZUZJMRK-UHFFFAOYSA-N
-63C2FA03EDD9198B_D01F06AD4179EFEA_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC=CC3=C2C=C(OC)C=C3,QXCJIFGGUNWEMB-IBGZPJMESA-N
-63EC7538A0DD148F_3FA5A4650C25216D_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CN=CC4=C3[N](C)C=N4)=O,AZSKHODNFYLLSG-UHFFFAOYSA-N
-64817870FD4E1251_CE7C71E36569E4F1_6026_UN,FC(F)C1=CC=C(O1)[S](=O)(=O)NC(C)(C2CC2)C3CC3,ILDBNFVEGQRXRU-UHFFFAOYSA-N
-648AC62627D28598_DEAF42DC1DC5BD58_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3CN([S](C)(=O)=O)CC3,CGTZHLLMMLUOIB-UHFFFAOYSA-N
-653ACFAFBE0EB464_19FF2EEC9B30B406_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,BDRXEELPFIMOPZ-UHFFFAOYSA-N
-653C75C4F4C500FD_50CEC30C6C25A25D_6038_UN,CCC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CN(C)C,BMHVSDSFTFBILF-UHFFFAOYSA-N
-6551A081649AD991_B944BDB605608EC8_6026_DP,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N3CCNNCC3,VIWYBZACMMNCFT-UHFFFAOYSA-N
-672215A31733B02B_071E854A3FC7FDB4_6041_UN,C1(=N[NH]C2=C1C=CC=C2)NC(C3=NCCN3C)C4CC4,YWMTWSDTELEYQC-UHFFFAOYSA-N
-6CB7B00E6F2C5A63_96DCDB9A19683F14_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC4(C2=NC(=C(C)S2)C3=C(C=CC=C3)F)CCC4,QQTSOCIPVLTQOH-UHFFFAOYSA-N
-6F8FAF689A6C8252_BFB8FB5CCF2E89FC_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4,NQWGJGFKEZMBLS-UHFFFAOYSA-N
-718EEA7EB0E4B055_D3249B8A30CC0AC8_6038_UN,CC1=C(C1COC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3)[Si](C)(C)C,LPWZKZIIXDVMHD-UHFFFAOYSA-N
-7227D20DABCE508D_1EE60CDEB3AE62F0_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3C(C)OC4=C(C3)C=CC=C4,CQJQNOURBUGHMQ-UHFFFAOYSA-N
-7504F8384CA075EA_4506CFE5900BC1B2_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=NN=C(C3=CC=CC(=C3)C)O4,KEUJBBISVKYRBO-UHFFFAOYSA-N
-76DF3AAC20EBAC02_5C4A1B2D076AF0EA_6029_UN,C1CN(CCN1[S](C2=CN=C(C3=C2C=C([N](=O)=O)C=C3)Cl)(=O)=O)C4=NN=C(O4)C5=CC=CC=C5,YRRRECCSXIFYOM-UHFFFAOYSA-N
-7719455AE793AD45_09979F04871F010A_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3=CC2=C(C=C(OC)C=C2)C=C3,SOGSWFOZADDZJO-LJQANCHMSA-N
-779842A4E35026EB_933C8756A31A544D_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3)F,CFLSEFFORUECPV-UHFFFAOYSA-N
-77B95CE6A351C1B8_297CD9ED37E0BA01_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@@H]3C[C@@H](C[S](C)(=O)=O)C3)C,PZEFVOVWSAMIAP-JOCQHMNTSA-N
-78858C3ED724E259_72566AC63E5431FE_6029_UN,N(CC=CCO)[S](C2=CC=C(C1(C(F)F)CO1)C=C2)(=O)=O,VGXPORQRYSCMMB-UHFFFAOYSA-N
-78F04EEC5D101BEA_0F62A6B13913B336_6041_UN,C2(=C1[NH]C=NC1=NC=N2)NCC3CCN([S](C)(=O)=O)CC3,KYZCYRKXRMRVNO-UHFFFAOYSA-N
-79599C0FF42453E1_09E59C2390B1973F_6038_UN,CCC(NC(C1=CC=CC2=C1OC(=N2)N(C)C)=O)C3=NN=N[NH]3,VEFGNGKYRORMIM-UHFFFAOYSA-N
-79916B397A8B51AB_345E6F39A96DBCA3_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2(CC2)C3=NC=C(C=C3)F)[NH]4,ZMUAYKJKHMRAKE-UHFFFAOYSA-N
-799A8E55B38602A0_2698212C886AC11C_2875_DP,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(CNC3)C)Cl,FIPJPGCRPQSKNM-UHFFFAOYSA-N
-7A932807470B5225_596A9B7C77F9082F_6028_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=[N](=O)C=CC=C3)(=O)=O,VZQBLOWMHMRXLF-UHFFFAOYSA-N
-7E341B65E3DFCA4A_0754F6686FE4A51C_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(CCC3=C[N](C)N=N3)=O,YGMAHASHQMTJOG-MRXNPFEDSA-N
-7F12321767DF42F5_A5D281EAAA29C32A_6039_UN,O(CC1=CC(=CC=C1)C3=NC2=C(C=CC=C2)O3)CCCC[S](=O)(=O)Cl,OOPLAGHZWFVSTB-UHFFFAOYSA-N
-7F742DAD61048502_9A0A3352B0CCF5AE_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3[C@H](C)CC4=C3C=C(C=C4)C,ZPNQTPYQARNUER-YJYMSZOUSA-N
-8119286C658187D6_3331A79B33141FCE_6029_DP,N(C(C1CC1)C2=CC=NC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,KLGFPVZYULRWBC-UHFFFAOYSA-N
-8356C2BFAE741FF7_6E26ADBCDEFF5DE5_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4(CC4)C#N)(=O)=O,UHQHBYXVLHGUDK-UHFFFAOYSA-N
-84B89E7BD49069A4_FD4FECCCAA408DA2_6041_DP,N1CC(C1)C2=NC=NC(=C2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,WDBHMXNFWMNUMZ-UHFFFAOYSA-N
-85C267F151742F79_115E89BD8F6CD718_6041_UN,CC1=CC4=C(C(=C1)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3)OCCC4=O,YPMOYNKPPOLHFP-WKILWMFISA-N
-85C267F151742F79_DABB1DD57B585A2D_6041_UN,CC1=CC4=C(C(=C1)N[C@@H]3C[C@@H](C2=C(C)C=CC=C2)C3)OCCC4=O,YPMOYNKPPOLHFP-WKILWMFISA-N
-8839154616177F6C_4EBA856ED73B74DC_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=N[N](C)C=C3)=O,NBTFMUMGRYQUHR-UHFFFAOYSA-N
-89BDF7DA69A3563C_7C4E6F8F4A8E56AF_6038_UN,C[N]1C3=C(N=C1CCCNC(C=C2CN(C)CC2)=O)C=C(C=C3)F,QPEPNUCQUOZUOA-UHFFFAOYSA-N
-8B19B827834731A0_758B048EE7528F22_6041_UN,COC1=C(C(=NC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C)[N](=O)=O,QWIFQDWMRSPORX-NSHDSACASA-N
-8BC1C90312F478A9_5BA4EB627004EEE9_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)CCl)(=O)=O,WVHVZPCCIBWIDY-UHFFFAOYSA-N
-8BDC51D757F7F3A7_7068BDEBDB5B8EE3_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC3=C(CC)[N](N=C3)CCC(C)C,TVQLKPZLUDSHLG-UHFFFAOYSA-N
-8E92F56E4A7B457D_4D2D292F5CDEEE16_6029_UN,N(C[C@H]1[C@@H](C1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,QLKWLQDNSSGYKA-CABCVRRESA-N
-8F7941D5165A8FEC_5E9153DAA286E761_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=CC3=CC=CC(=C23)OC)=O,XELBNIAFAIOSHQ-UHFFFAOYSA-N
-941D92988F630E68_385A3D794958FB64_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(=O)CCC3=C[NH]N=C3,IBDSYUSFYOWPNJ-UHFFFAOYSA-N
-948F450612770840_AEB8F86AE8477246_6038_UN,COC1=C(C(=CC=N1)C)CNC(CCC2=CN=C(N(C)C)C=C2)=O,KLWBLZGNUBMGHE-UHFFFAOYSA-N
-94BCD9639718ABD0_A4E7C3FD92E82FF9_7019_UN,C(C1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC(=C(C)C=C3O)C,YONNEEPKFUAQCI-UHFFFAOYSA-N
-959A3C2D9137A362_F0CC12C3C3F828F5_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@@H]([C@H](CC)C)C(=O)N(C)C)C,INRQVVSZWJPGLK-ZBEGNZNMSA-N
-965FF4353F4DCA12_C01A0F0E4193C0AF_6038_UN,CC1=NC(=C(C=C1)OC(C3ON=C(C2=C[N](C)N=C2)C3)=O)[N](=O)=O,ISLZBGSEDZLPDE-UHFFFAOYSA-N
-97939A6D477E5360_BBC28AE3B913BA88_6038_UN,CC(C)CC(NC(C1=CC=C(B(O)O)C=C1)=O)C2=NN=N[NH]2,IZTBXHPGKISADN-UHFFFAOYSA-N
-9A7657313F238B64_6166BD3E31CEF9F7_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)CCl)(=O)=O)C,FBZZSPQYKISAKV-UHFFFAOYSA-N
-9AC4ADE338A5E7D9_CB5AD3819B511BAE_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)N[C@H]4[C@H](C3=CC=C(OC)C=C3)C4,NAQUFFORCJVRHX-FCHUYYIVSA-N
-9B37D054D4A39352_F18887620329C8C7_6041_UN,COC1=C(C(=NC=N1)NC2CC(C)(C)OC3=C2C=CC=C3)[N](=O)=O,HJNZAXPRBOFSLN-UHFFFAOYSA-N
-9CDDE6FD7E56A405_45FF004F6E89946B_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3C(OC(C)(C3)C)=O)C,YWTDBJDYDYCBKB-UHFFFAOYSA-N
-9D0626ACE6A53ADC_6C3E9A13FCD123FE_6041_UN,C1(=N[NH]C(=N1)C2=CC=CC=C2)NC3CN(C)C4(C3)CCC4,OJLHITPNAKTIBL-UHFFFAOYSA-N
-9E43D0BAC8415786_9A8ED8E94540CC4B_6038_UN,N(CCC1=NOC(=N1)COC2=CC=C(C=C2)F)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,QJYCPFPBPRFGCS-UHFFFAOYSA-N
-9FD6B26DDFDC56CA_AA6E64D04C3950BA_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,BWTNOCYYEAYYLR-ZDUSSCGKSA-N
-A1CE4CC581E5FD0A_E018BEBF79321B17_6041_UN,COC1=C(C(=NC=N1)NC2=C(C=CC=C2)N3CCOC3=O)[N](=O)=O,GEFZKGMBLNQPGC-UHFFFAOYSA-N
-A1F5279226809910_4E5508E9FD4B9EDE_6038_UN,COCCOC1=C(C=CC=N1)CNC(=O)C2=C[NH]C3=C2C=C(C=C3)F,VABWKOMRYHVHRZ-UHFFFAOYSA-N
-A21BE68A9609514D_CE7C7D3C998F89F9_6038_UN,CSC1=CC2=C(C=C1)OCCC2NC(CC3=N[N](C(C)C)C=C3)=O,FBCCRJPKEATFOV-UHFFFAOYSA-N
-A24B599CC15C571A_62676620705AD4FD_6039_UN,CC2(CCOCC(C1=CC(=CS1)C(N(C)C)=O)=O)N=N2,PSLSECKRXXPJMQ-UHFFFAOYSA-N
-A2892AA393721E76_946F943E9AF22C03_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(CCC)[NH]3)(=O)=O,DJDBWBYXCXALFC-UHFFFAOYSA-N
-A3D11C561A38213C_6A0185CD7023C743_6038_DP,N(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)C(C4=CC(=N[N]4C)C(=O)O)=O,OUSIYENWCXZMRU-UHFFFAOYSA-N
-A55C87C1541EA1A9_35A0937E91748980_6041_UN,O=[N](=O)C1=CC(=NC=C1)NC2=C(CC)[N](N=C2)CCC(C)C,ONLCTBNQVZIERH-UHFFFAOYSA-N
-A58C8E146F3DB8E2_0185B4FB6A38E47F_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,RDXASZHVGHICBX-UHFFFAOYSA-N
-AAEAE6E8216038E6_6F3DA61FA9A3F6B9_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=NC(=C5)C6CC6)(=O)=O,UPAUXKACMZVAJG-UHFFFAOYSA-N
-ABAB6747252E5C6B_54E10E600444FD10_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(=O)CCC2=CN=C(C=C2)F,OEPYOODUAMEVJQ-VIFPVBQESA-N
-AC06A27C5D2CC599_1B5237D9B39C5684_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@@H](C(C)C)C(=O)N(C)C)C,IDDBRIYGZSWHLH-HNNXBMFYSA-N
-AC591EDA05ADE6B2_C87287254F3F5A82_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(CC3C(ON=C3C)=O)=O,UXDGNQHYCLWULX-AWKYBWMHSA-N
-ACBBE4C47241E02A_8DD48130A5586A79_6038_UN,CN(C)C1=C(C=CC=N1)CCNC(C2=C(N=C(CC)N=C2C)C)=O,OXKMPXNPAFGVFU-UHFFFAOYSA-N
-AD53AC2743A5FBA2_7D6AB0EE0E4A6F44_6003_UN,CCC(C)C(OC1=CC=C2C(=C1)CC(OC2=O)=O)CC,PCAZOKJAYYEAOE-UHFFFAOYSA-N
-AE712435535FE4DF_5BF9C4C4EF4CCD72_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[C@H](C3)OC4=CC=CC=C4,OLVGPGJCIPCFCD-CTYIDZIISA-N
-AEB6853050220A19_67906F2A38A507C0_6038_UN,CCOC(=O)C1=CC(=C[NH]1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,SKEKYDRSZUATOU-UHFFFAOYSA-N
-AECA3DF9E1E7BD57_0F70C37539EC3C7F_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC(C)N4CC3=C(C(=CC=C3)N)C4,JOPZFVVAZKYIGL-UHFFFAOYSA-N
-AF6A1FA0DF4D2547_D91F6F92DFA14E0A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]4[C@H](OC3=C[N](C)N=C3)CCC4,KKFAVTZAQQSLOP-DLBZAZTESA-N
-B04CDB3024264A53_9EDA8C2E7B858E78_6041_UN,O=[N](=O)C1=NC=CC(=C1)NC2=C(CC)[N](N=C2)CCC(C)C,PTEPSRDREWYKBF-UHFFFAOYSA-N
-B0BE969C153BFD67_B1202316781B140F_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NCC3=CC=C(C[S](C)(=O)=O)C=C3)C,JTPLISZWGVPQCH-UHFFFAOYSA-N
-B15809C3EE55B77E_A8AC7F14347EA921_7022_UN,COC1=CC(=CC(=C1)N2N=C(CCC)CC2=O)[N](=O)=O,FBWHOROHFBZVPH-UHFFFAOYSA-N
-B162675053750424_5553BB0C2914B004_6038_UN,C[C@@H](NC(C1=CN=C(N(C)C)C=N1)=O)CC2=CC3=C(C=C2)OC(C)(C)CC3,PINSNKZJGPANNC-CQSZACIVSA-N
-B2375AD5888FAE1E_52870B6C426D5543_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C4=CC=C(N3CCN(C)C3=O)C=C4)(=O)=O,NILHKVNEESLGHD-UHFFFAOYSA-N
-B27919C1FD9F63C9_DEC30351D0935CF6_6038_UN,CC1=C(C=CC(=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)[N](=O)=O,ULQWGORRGALHHF-UHFFFAOYSA-N
-B366AD905829C5FA_7CC0E38D06699295_6038_UN,O(C1=C(C=CC=C1)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,HVKLFRHDEXFIIJ-UHFFFAOYSA-N
-B3805673233A1005_38F384590B9F9C1C_6039_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)CC3=CC=CC(=C3)[S](Cl)(=O)=O,ZABBZUWZKBNCMD-UHFFFAOYSA-N
-B4A9CC553EB305C6_9F3B730F4A57A31B_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,MSIXNUMYLPELHZ-UHFFFAOYSA-N
-B4EAD3473CEC3B6E_334E98C5543BD62E_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3(C[S](C)(=O)=O)CCC3)C,HVOLHKNKBWWQQM-UHFFFAOYSA-N
-B63C9A618DC808D7_F319DAEAE51E3E86_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC2OC(N(CC(C)C)C2)=O,ZIZCZSGJHBJLPN-UHFFFAOYSA-N
-B6600D534B6D50C2_5FD82C744C0F06FE_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CCO)N=C1)(=O)=O,ZURLYKXBWWJXTH-UHFFFAOYSA-N
-B6F02E95F21525C5_D9120EA4C62C0139_6005_UN,OCC1=C(C=CC=C1)OC2=CC=C(C=C2)C3=CC=C(OC)C=C3,TUONPXMZJRBTAI-UHFFFAOYSA-N
-B771275D0D0FE66B_2CA617A07BB27530_6038_DP,N(CC1=N[NH]C=C1)C(C(NC)CC2=C[NH]C3=C2C=CC=C3)=O,HWPCFUPPZFYFRS-UHFFFAOYSA-N
-B783FFEA55CC2F2C_DB28E1ECBBF73F28_6038_UN,CC1=CC(=C(C=C1)OC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)[N](=O)=O,TUYJOZIMORZQHX-UHFFFAOYSA-N
-B8AE8BF8A5E18007_DBDEA5B0484FE6AA_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CNC4)C,JFOSWLJVMCOSPY-UHFFFAOYSA-N
-B9933E4AA29D889B_8759728B6AF79403_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(N=C5)[NH]N=N6)(=O)=O,OQOISPDGMJBSAE-UHFFFAOYSA-N
-BA74270F7B2491F1_0A1EAF9228F3154A_7019_UN,FC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC4=C(O)C=C3OCOC3=C4,WPNLSVALJTUNKV-UHFFFAOYSA-N
-BAE8ECCE38595EC9_AF69D093C4CE9C31_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C,UDSPEHLXQNJXSA-ZDUSSCGKSA-N
-BB5878CD9379B5BC_5A247049307E789A_6029_UN,CCC1CN(CCN(C)C1)[S](C3=C(CBr)C=C2OCOC2=C3)(=O)=O,YUVFJECMXCKAOM-UHFFFAOYSA-N
-BC764EFF13C0E58A_AE9BB62AF3A5A333_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(OC)CC2=CC=C(C=C2)F)=O,UVNOJOWQRRVYSZ-PXYINDEMSA-N
-BCF6B30288E5C993_9A3F112F7D5EC465_6041_UN,C1(=CC(=NC=C1)C2=NCCO2)NC(C)(C)C[S](=O)(=O)O,ISGKTKXEFYUUDK-UHFFFAOYSA-N
-C114462AE3855349_1BBA189B101BD132_6006_UN,C1(=CC(=NC=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3(O)CCC3,LKBXPEWOOGBKAW-UHFFFAOYSA-N
-C15D6F0256216422_A7E016CEBE2C9899_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CN([S](C)(=O)=O)CC3,JREUXYDDLWENAZ-UHFFFAOYSA-N
-C2EABC0125E40101_99FB7154B1FFAAAD_6041_UN,CC1=[N](C=C(C=C1)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4)=O,YVVIZYVPRAFGBP-UHFFFAOYSA-N
-C36988B1D9F19ADD_67308D5660F02637_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2CC2)[N]3C4CC4)(=O)=O,HMTAGNHUMQXSGA-UHFFFAOYSA-N
-C502358F3C1096C9_8CEE0241393749C2_6038_UN,CN(C)C3=NN=C(CNC(C2=CC1=C(C=CC(=C1)C)OC2)=O)[NH]3,BEDOLSGAUOMWAX-UHFFFAOYSA-N
-C50CEADA1EAE8ED7_144408AB15DB3072_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=CC(=C(OCCC)C=C2)C#N)(=O)=O,VOBKTOIGYZXDTJ-UHFFFAOYSA-N
-C5AA646282E051D7_1F1EC1090362A239_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3CN([S](C)(=O)=O)CCC3,FGFLJPCUVIJECN-UHFFFAOYSA-N
-C5C391A66C19297B_91F8A25D964EC88D_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[C@@H](C3)OC4=CC=CC=C4,OLVGPGJCIPCFCD-OTVXOJSOSA-N
-C6B80BCC3A7D445C_27257004134A43B0_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=CC(=C(CCl)C=C2)Cl)(=O)=O,RCTXKKVWVYJSBQ-UHFFFAOYSA-N
-C71F92C1591B92C9_F6976682D4770F20_6029_UN,BrC1=CCN(CC1)[S](C2=CC=C(OCCCO)C=C2)(=O)=O,FCFASVLQDJARNU-UHFFFAOYSA-N
-C75314058B1EFBCD_178F7B60253F3C4D_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(Cl)C=CC=C2Cl)(=O)=O,RJXGCHNTWDYIAH-UHFFFAOYSA-N
-C7587D3EDD116C97_4264F323D9E18667_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC(=NN=C5C)C)(=O)=O,YHTIUDNLZPMHOO-UHFFFAOYSA-N
-C924A621FD775DBB_C347673C1E267CFD_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](N=C3C4=C[N](C)N=C4)C)=O,ZWXIOIGDHDHVSC-UHFFFAOYSA-N
-C9BCB799435BBFA6_1AE1013621C78D0C_6029_DP,FC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,SSHXSEOTXUZPKD-UHFFFAOYSA-N
-CA2E865B0C649A50_423BB4DACC25ED2B_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=CC2=C(C=C(OC)C=C2)C=C3,SOGSWFOZADDZJO-IBGZPJMESA-N
-CA2E865B0C649A50_DB53A069F358EBA7_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=CC2=C(C=C(OC)C=C2)C=C3,SOGSWFOZADDZJO-IBGZPJMESA-N
-CC4DF54A7F561096_439CD3DE6A643CBE_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(F)C(=CC=C2)OC3CC3,USHQMIJXKXKGST-UHFFFAOYSA-N
-CC7BD6688E9A3CF1_A110EAD9D0818C7F_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CCOC)N=C1)(=O)=O,PEJXCGZZOSCDAA-UHFFFAOYSA-N
-CC8758A164578AD9_985D86EFA3CF4927_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,XYJGPJZMBUFWML-UHFFFAOYSA-N
-CE94E794E7CE920A_3F44F6BEFF8DCAC0_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C(=NC=C3)Cl)(=O)=O,RGABXCWDGBBIIK-UHFFFAOYSA-N
-D0E51079BE291F1C_BEEF0EFAE45960D4_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCCC)C(C)C)=O,WNLWHSFLAQDILQ-UHFFFAOYSA-N
-D133354E1216BE57_4881F5D81F33E2B5_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[C@@H](C3)OC4=NC=CC=N4,UJCDORMCVPLBGP-TXEJJXNPSA-N
-D1E9FECDE7423DAB_2EA1978EDE39D08A_6029_UN,N(C1=C(CCCC1)C#N)[S](C3=CN=C(SC2=C(F)C=CC=C2)C=C3)(=O)=O,QYASKMMEBCGYAR-UHFFFAOYSA-N
-D3FF7BD515A8EEC7_431844F23E557991_6041_UN,OC(=O)C2=C1N=CC=CC1=C(C=C2)NCCC(O)CO,UGCHKYOWSZIAGP-UHFFFAOYSA-N
-D4A261D211541FEF_2CED64E193CC2C52_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(SC)N=CC=N3)=O,IFOSJWVZTAQHSK-CQSZACIVSA-N
-D4A55AE96F1A3ECD_2349FDFF3B59068A_6029_DP,N(C(C1CC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,ILGJYJPTFZARIW-UHFFFAOYSA-N
-D66070263B516EE3_290C7914420ACB00_6041_UN,OC(=O)C1(CC1)C2=CN=C(C=C2)NC3=CC4=C(C=C3)OC(C)(C)CC4=O,DOJYSLAXLFTLDS-UHFFFAOYSA-N
-D6712A5C3A40DAF9_BA51807423BBCB94_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=CC5=C(C=C4)OCO5,HXFOKIMFBVYYIB-UHFFFAOYSA-N
-D7891CC7556B09FC_24D3F8349A5CC922_6038_UN,CC1=CC(=C(C=C1)CCNC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3)C,OURHSXSLWMZNHC-UHFFFAOYSA-N
-DC48B40A5593AA0D_D5B73E4D4168D533_6029_UN,CC3(C)CC(N[S](C1=NC=C(C)C=N1)(=O)=O)C2=C(C=CC=C2)O3,WESCGYOLEVJHDM-UHFFFAOYSA-N
-DD308DE4D92818BE_BDFCD82C055B3BA8_6041_UN,C2(=C1C=CC=NC1=NC=N2)N[C@H]3C[C@@H](C(OC)=O)CC3,LBRCZYWWSQAYRE-VHSXEESVSA-N
-DD36AFC5299BD5CE_74A20D5938D1B024_6004_UN,C1(=CN=C(C=C1)C2(CCC2)C#N)C3=CC=CC(=C3)C(N)=O,RKEZQDFMRCGHJA-UHFFFAOYSA-N
-DE3850C6814B8C2F_6EF3980370017CF9_6029_UN,N(C1=CN=C(C=C1)OC2CCOC2)[S](C4=CC3=C(N=C(C)N=C3)C=C4)(=O)=O,CBXBBDYYTZRIAH-UHFFFAOYSA-N
-DE8A84BAD622AED9_C4C1F3D9C511522C_6041_UN,CC2=C1C=CC=CC1=NC(=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,YPXANPNZWJTXBK-NHYWBVRUSA-N
-DF8D2A5FA95E5277_E1DF236FDE48497C_6041_UN,CC(C)OC1=CN=C(C=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,KLMWDAQUENPODQ-CLYYMRHHSA-N
-DFD14C32B2A223F2_E377007B859B52BA_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3(CC3)C4=NC=CC=N4,WFBCCYYFZHPGQA-UHFFFAOYSA-N
-E11CF73E3A42431E_E91AA485FF9E5083_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)N[C@H]3C[C@@H](C[S](C)(=O)=O)C3)C,PZEFVOVWSAMIAP-BETUJISGSA-N
-E401983DCA27858A_F614AC6EC0780AF8_6038_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC(C2=C(N)[NH]N=C2)=O,CIISMUKPUFTMRC-UHFFFAOYSA-N
-E6C09F45CCB17643_4072DF9DF5246A60_6041_DP,F[S](=O)(=O)C1=C[NH]C2=C1C=CC(=N2)NCCC3(OC)CNC3,YNZZTRURDMTSLQ-UHFFFAOYSA-N
-EB1D5E99443D2F9E_1F0130522B6F79CE_6038_UN,NC(=O)C3=CC1=C(C(=CC=C1)NC(C2(C(C)C)CC2)=O)[NH]3,AWBBCSKLTPOLBY-UHFFFAOYSA-N
-EC3CDF39615200F0_F8C70B777C3A81B7_7005_UN,N3=C(C1CC2(C1)COC(=O)N2)[NH]C4=CC(=CC=C34)C5=CC=CS5,PBIUCVSNYOWGCV-UHFFFAOYSA-N
-ED618386AE1F21DA_49729027B4525140_6029_UN,N(CB(O)O)[S](C1=C[N](CC(C(OC)=O)(C)C)N=C1)(=O)=O,MKYKYNFONBSIFR-UHFFFAOYSA-N
-EE9D44D6C29E7EF0_DFD0B05900AE4B6A_6029_DP,C[Si](C)(C)C#CC1=C[N](C2=C1C=CC=C2)[S](C3=CN=C4[N]3CCNC4)(=O)=O,WYPQORRDUOIRHX-UHFFFAOYSA-N
-EF8F087A4A284DAF_DBA1DC4C7B53247B_6039_UN,O(CC1=CC(=CC=C1)C3=NC2=C(C=CC=C2)O3)CC4=CC(=CC=C4)[S](=O)(=O)Cl,XUVBOQGKXJJJSF-UHFFFAOYSA-N
-EFAB8D8C5D3F4230_6CB9BD2266E52A48_6031_UN,O(C(=O)C1=CC[S](=O)(=O)C1)CCOC2=NC(=CN=C2)Cl,XLHSZWMXKBPQDC-UHFFFAOYSA-N
-EFF2BE6072EFD7D3_404CDE3951F840B5_6038_UN,CC1=CC(=C(C=C1)OC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,IKZIZDSPLLXBHU-UHFFFAOYSA-N
-F07CDDDF9A51D098_F893C4F46CC687D8_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3CN([S](C)(=O)=O)C3,QMYVVRDWFJIOIZ-UHFFFAOYSA-N
-F5BA6FB694D3C053_0383294BD72DDD54_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=NC4=C3N=C[N]4C)=O,STHCEPLCPRJRKL-UHFFFAOYSA-N
-F8556794FFD011A3_A84A5198556ADD11_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3CCN([S](C)(=O)=O)CC3,XULMBCFENUEOQM-UHFFFAOYSA-N
-F88158C369DC5CD2_F1F7C923A1B08FEB_6038_DP,N(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)C(C4=CC=CC(=C4)O)=O,QGPPYKZVKVYCGF-UHFFFAOYSA-N
-F8EC75B42562263B_8011D852563FA0A3_6038_UN,COC2COC1=C(C=CC=C1)C2NC(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,YXVMKZJMDMOFGL-UHFFFAOYSA-N
-F9A0F5B5E41BA40C_B4D42C3B94712E6B_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC3C2=CC=CC(=C2OCC3)C,UDSPEHLXQNJXSA-UHFFFAOYSA-N
-FBBBEBE23427E651_9803C89B274C13A1_6041_UN,C[S](=O)(=O)C1=CN=C(N=C1)NC2C4=C(OC3(C2)CCC3)C=CC=C4,QQKAUXXNYRBDJA-UHFFFAOYSA-N
-FD71DAF58E13A488_823FAE6F37A7FC1E_6041_UN,CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2NC3=CC(=CC=C3)N4CC[S](=O)(=O)CC4,IEBJXKARRNNYOM-UHFFFAOYSA-N
-FD73BC357B59AFDD_89390346974EFC11_6041_UN,C1(=NC(=NC=C1)N2CCCCC2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,JYTDOVVTESICCA-HNNXBMFYSA-N
-FDD2A97F3A2A6CD3_42587A9B9A29F992_6029_UN,N(CC1(CCCCC1)CC2=CC=CC=C2)[S](C3=CN=C(C=C3)C4CCC4)(=O)=O,RPDWTXYMFGFGGG-UHFFFAOYSA-N
-FF3A8A63402A83CB_32445131AF50207F_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4(C3=CC=C(OC)C=C3)CCC4,MRJSZJOSVJIWLD-UHFFFAOYSA-N
-FF7C4BE474E4FF9C_61AADA3F0B010B0A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]3C5=C(OC4(C3)CCCC4)C=CC(=C5)F,JQGKMUICPCBAPQ-LJQANCHMSA-N
-FF8FC44382CF4D7F_5C07C0F6542C5DE5_6029_UN,N(C1(COC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,KJTKVZJAOLGDJL-UHFFFAOYSA-N
-rxn:2:100605:157049,CN1CCC(c2cnc(C3(NC4CC5(CS(=O)(=O)C5)Oc5ccccc54)CC3)[nH]2)CC1,GXYSIVAOJGFQIO-UHFFFAOYSA-N
-rxn:2:113632:149518,CC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1ccc(N2CCS(=O)(=O)CC2)cc1,FGUQNOXQEVPDEV-UHFFFAOYSA-N
-rxn:2:123909:148296,CCC(NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1cnc(N2CCCC2)c(C)c1,IQJOKIOBBCYQQY-UHFFFAOYSA-N
-rxn:2:129149:148822,CSc1ccc(C(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C2CCC2)cc1,PRITWFKMJMGDEW-UHFFFAOYSA-N
-rxn:2:138627:124940,CC(C)N1CCC(N[C@H]2CCOc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,OTRAXMBVMDNTMF-QUENFVSXSA-N
-rxn:2:138972:162580,CCC(Nc1cc(N2CCN(C)CC2)nc(C)n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,IGPBNNQAEVDNNE-UHFFFAOYSA-N
-rxn:2:77257:88273,CCC1CCCN(c2ccc(C(C)NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)cc2)C1,NIUPEDGLVGNKNU-UHFFFAOYSA-N
-rxn:2:98457:162580,CCC(N[C@H](CC)c1ccc(N2CCCC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ULDOSODYFKLGRM-MIHMCVIASA-N
-rxn:2:99842:127848,CN1CCN(c2ccc(C3CC3CNC(c3ccc[nH]3)C3CCCCS3(=O)=O)cc2)CC1,HGPDZMJJNXBSPU-UHFFFAOYSA-N
-007C9AF46796D207_D77D152AB62FAF2F_6035_UN,C[C@H](OC1=C(C(CC)=O)C=CC=C1C#N)C2=N[NH]C(=N2)C,OBKBJQONBXWXTJ-VIFPVBQESA-N
-022B1FD99A307350_1A30BAAEAB40AD60_6038_UN,CN(C)CCOC1=C(C=CN=C1)CNC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,ZYPCALRNWQVVSK-UHFFFAOYSA-N
-028D81D7831FDAE7_33DB79D332539056_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NCCC3=CN=C(C=C3)N4CCC4,KDITXNMUQDMQPO-UHFFFAOYSA-N
-04DDBE3D8A5CBBB0_3D13166E35FC7E05_6028_UN,CC1[N+](CCN(C1)C2=CC=C(C=C2)N[S](C3=CN=N[NH]3)(=O)=O)(C)C,YRVWEMBDJJIGCV-UHFFFAOYSA-N
-060E249FD5B5D202_EA8113A862588ACB_6038_UN,CC1=NC5=C(C(=C1)N4CCC(OC(=O)C2CN(C2)C3=NC=C(C=N3)F)CC4)C=CC=C5,XUKOOFMDYGTMTH-UHFFFAOYSA-N
-075B07A7B8F91E1E_60DCC8AC8F60CD46_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(N=CC=N2)Br,FKOYUOHQUHLDOP-UHFFFAOYSA-N
-0998812E57BE2E92_09323476D9373A72_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=CC=NC4=C3N=C[N]4C)=O,LLKUSWYTYBDVJE-UHFFFAOYSA-N
-09F608A9CD49720B_0B1B9CC4703911C3_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=C(C)C=NC=C3,UULOQBPZFLVAQU-UHFFFAOYSA-N
-0BE49B981C21840B_B2C31E48BD0D0F62_6041_UN,FC1=C(C(=CC=C1)C2CC2)NC3=CC=CC(=C3)C[S](C)(=O)=O,TWVAAKFVLMBUCK-UHFFFAOYSA-N
-0C42E892F8AB94FC_1576681B9F82C34D_6031_UN,O(C(=O)C1=CN=C(N=C1)Cl)CCCNC(=C2N=CC=CC2=O)O,VZYWBFZCYZAEKS-UHFFFAOYSA-N
-0F067B4D0E0A1426_6AF149D1DD903F64_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=C(CCl)C=C3OCOC3=C4)(=O)=O,DPQFWLHQUYNJTL-UHFFFAOYSA-N
-0F5FEA04F83655D1_8B35D75839E2387C_6003_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C4=CC3=C(C(=NC=N3)Cl)C=C4[N](=O)=O,MTIMEKXMVBDTCZ-UHFFFAOYSA-N
-108670F3341FDCEF_72B20446458F71BB_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(C(C)N(C)C2=NC=C[N]3C=NN=C23)=O,JFJPPSKKGCVHAE-UHFFFAOYSA-N
-11562372A72F218C_189F6927E7167E2F_6038_UN,CN(C)C1=NOC(=N1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,DUZUAIQWKNUNAR-UHFFFAOYSA-N
-1163C227FC983CB3_91BA600031190105_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC[S](=O)(=O)CCBr,ROYBMKDVTSWIEV-UHFFFAOYSA-N
-14AD91AB7601A439_08DCA33469325D7C_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=NN=C(C(CC)(C)C)O3)(=O)=O,LUDRFMGEPZSBLK-UHFFFAOYSA-N
-14BDD090A7885A0E_94879EACAA2225C1_6034_UN,ClC1=CN(C(=C1)C(=O)N2CCNCC2)CC4=C(OCCOC)C=C3OCOC3=C4,DVEUXZGOROQCKG-UHFFFAOYSA-N
-19799232C18DF3B9_269BBDF50F68053C_6029_UN,N(CCC1=CCCCC1)[S](C2=CC(=C(O)C=C2)C(F)(F)F)(=O)=O,UWVKUIOJHHZWDX-UHFFFAOYSA-N
-1B6A969BA09F883D_29B90801171E0254_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=C([S](C)(=O)=O)C=CC=C4,ZYVFSFKBLPOJMQ-UHFFFAOYSA-N
-1C8AE45365A88E89_1F8425EFA821567C_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=CC=C2)[S](=O)(=O)F)C=C3,HXHRERZUHZPQCB-UHFFFAOYSA-N
-1E3056855E33BE25_1882D1379232B00E_6029_UN,CC1OC3=C(CN(C1)[S](C2=CC(=C(C(C)(C)O)C=C2)F)(=O)=O)C=CC=C3,GKZNOAHYZGKESO-UHFFFAOYSA-N
-1E81A3BE8B206F66_E9C16024232F2CCD_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=C(CC)C=C2)(=O)=O)F,XVXABNPVZNIKNY-UHFFFAOYSA-N
-1FDF506ACE317F6D_1E1D695BBABE0908_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C4=C3N=CSC3=CC=C4)(=O)=O,KRDWIPXIHWHMOD-UHFFFAOYSA-N
-20D494CAFB958B7A_1E4F1B8045EBE5FE_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(N=C(C)C=C4C)C)=O,OIDHXUWLBOGTAJ-UHFFFAOYSA-N
-216B13716E977BE1_6D478865F76FECE0_6038_UN,CC(C)C1=C(C=CC=N1)NC(C2=N[NH]C(=C2)CCCCC)=O,GKWXSNABJGKZJH-UHFFFAOYSA-N
-2204780FD26C8852_E6567BF6BD1EA3AA_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(=O)CCC4=C3OCOC3=CC=C4,FNYZFMCOEZUXJS-UHFFFAOYSA-N
-229179EA30FE6F91_F383F090C0D0A78F_7019_UN,C(C1=CC2=C(C=C1)NC(=O)O2)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,QBXVXRRXYFQMPV-UHFFFAOYSA-N
-237E52C54251CE81_28265F7680EC3F1F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(C)N2CC(OCC2)C3=NC(=N[NH]3)C)=O,ILEDMLXXTCSVJA-UHFFFAOYSA-N
-23F3563DC843827D_00DEE36E5F20F2D7_6038_UN,CC1=NC(=N[NH]1)CNC(C3=CC2=C(C=CC(=C2)OC)OC3)=O,QOVHKAAHYPPMHE-UHFFFAOYSA-N
-256A6BBAE49FA894_9D7A3EA5C976A1D0_6029_UN,C=C2CCN(C1(CC1)C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,JHRMNWLAIHESJE-UHFFFAOYSA-N
-275905A74040522E_D07CD6C290BF7174_6038_UN,N(C1=CC(=C(C=C1)F)C2=N[NH]C=N2)C(=O)[C@@H]3C[C@@H]3C#N,FMEQEUWPYDSTDT-VXNVDRBHSA-N
-2A3E2EF7F57A789D_D7265DDF92AAE58B_6029_UN,N(C1(CCCCCC1)C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,ZBHCOARNLKSRFZ-UHFFFAOYSA-N
-2B912F56D71DAF09_321A4810195EF7D9_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C(=CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,BMVBCJRYUHVIEE-UHFFFAOYSA-N
-2BCC94878D3CC863_5AC9C424BCB723BD_6034_UN,SC1=NN=CN1CC(N4CC2=C([N](C)C3=C2C=CC(=C3F)Cl)CC4)=O,HTSMMCFQIDSTBA-UHFFFAOYSA-N
-2CEDD6950FD37AC3_1816A5A46349FAD4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CC3)C4=CC=CC=C4,XTOXLIOGYMIAHR-UHFFFAOYSA-N
-2DF7407BF344A797_CC504C32F8A5CE85_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NCC4=CC=C([S](C)(=O)=O)C=C4,UAVBFEINEDOVER-UHFFFAOYSA-N
-3099902DB1BF013A_9241F425C31F5EF5_6029_UN,N(CB(O)O)[S](C1=CC=CC(=C1)[N]2N=C(C(C)=O)C=N2)(=O)=O,NABICMJEIMCZOQ-UHFFFAOYSA-N
-312E36C59E52A99D_60689E507C7359F9_6038_UN,CC1=NC4=C(C(=C1)N3CCC(OC(=O)CC2=C(C=C(C(=N2)F)F)F)CC3)C=CC=C4,HVABRCGVPLUVBG-UHFFFAOYSA-N
-329CA205559E03A4_B757F668C2824C50_6041_UN,CC1=NC(=NC(=C1)NC3C2=C(C=C(OC)C=C2)OCC3)[S](=O)(=O)C,VSAGIHAUZLKRAD-UHFFFAOYSA-N
-3310015065B6DD38_3D4FC1F9EF54B374_6029_UN,N(C1=C(C=CC(=C1)F)OC2CCCCC2)[S](C4=CC3=C(O)N=CN=C3C=C4F)(=O)=O,FWIULUUWVHZDMC-UHFFFAOYSA-N
-3863B01117B4DAA1_FCBB3312AA628ADB_6041_UN,C1(=NC(=NC=C1)N2CCCC2)NC3C4=C([S](CC3)(=O)=O)C=CC=C4,ZOSYCMMBFXWELV-UHFFFAOYSA-N
-393E32FBE4E12DCF_1B52AE79D91D0810_7005_UN,CC1=CC=C4C(=C1C)N=C(C2(CC[Si](C)(C)CC2)C3=CC=CC=C3)[NH]4,JAPCLPDZZAUHJU-UHFFFAOYSA-N
-3957DD2FC8D0920E_B8C1E1851A0051EA_6041_UN,OC(=O)CC1=CSC(=N1)CC2=CC(=CC=C2)NC3=CCOC3=O,MIMLUZRPNRYZFY-UHFFFAOYSA-N
-3D7C383D9F8EBCE9_C23C91CEAD5E1FFB_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC(=C([S](CC)(=O)=O)C=C4)F,DLIIGEISSKMCHC-UHFFFAOYSA-N
-3DA95E3EEFE9704B_95A4AC706A931704_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CC3)C4CC4,CDEYGPRXQCAHIF-UHFFFAOYSA-N
-3E1FC6BDDEA1B58B_E03ECE95F72F37A7_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(=O)CCC3=CC4=C(C=C3)OCCO4,OBUOTAUTZWPDKJ-UHFFFAOYSA-N
-3F606C36060548A0_F1738C61E200C606_6031_UN,O(C(=O)C1=C(SC(=N1)C2CC2)Br)CC4=CC3=C(OCCN3C)C=C4,XARAVWHDBXXCDR-UHFFFAOYSA-N
-40808595B46A64A6_0EBA873A364BA8B4_6038_UN,N(C1=C(C(=CC=C1)F)C#N)C(C3=C(N(C)C2=NC=N[N]2C3)C)=O,GMPGEVIRHNCKCV-UHFFFAOYSA-N
-427C70F0BD4BA077_89BDEE6DF54A3928_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=C(C)C=CO3,JHKJQFFKNPCLRQ-UHFFFAOYSA-N
-42B2D16280079FF9_71734F4DFE0E1DA3_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)C=NC(=N3)C4=N[N](C=C4)C)=O,LWQCFFXMWSFKPK-INIZCTEOSA-N
-4405CC5996F8439B_3C4D0943EA467C18_6029_UN,CN1CCCN(CC1)C2=C(C=C(C=C2)F)CN[S](C4=C(CBr)C=C3OCOC3=C4)(=O)=O,ZGERHGORUHMFIV-UHFFFAOYSA-N
-45E5771DC4B6EBF9_5C2E635043D5A076_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C4=C(C)C=C3N=CC=NC3=C4)=O,LJZLMBBRLDXCAD-MRXNPFEDSA-N
-47203E73C1F7E7E2_D46577804BFEA75E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)[N]2C=NN=N2)N[C@H]4[C@H](C3=CC=C(C(C)C)C=C3)C4,ICJAHOPVUMNFSX-RBUKOAKNSA-N
-475E13C5970B101F_40E18D8CB44B8C7D_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCCC4=CC=C([S](C)(=O)=O)C=C4,SECNCIIWSHPRAZ-UHFFFAOYSA-N
-48F3B9A23877BD73_1526FA714787B987_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,UWJUMIVTFGATJZ-UHFFFAOYSA-N
-4987BC3344DFECF9_783CD2D67A1E8A71_7013_UN,CC(=O)[N]2C1=CC=CC=C1N=C2[C@@H]3CCO[C@H]3C4=NC=C[N]4C,QLUDWJYALBHKAH-IUODEOHRSA-N
-4AA176866C949AFE_DF98BA2B35516104_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C(C3(N(C)C)CC3)=O,RHPHKBCLYIXHCS-UHFFFAOYSA-N
-4AC5031E8118F266_FAD841A560156AF5_6041_UN,CC2=C(C=C1N=CSC1=C2)NC3=C(C)C=C(C=C3)OC4CCOC4=O,RYBQJVVSSQBDOB-UHFFFAOYSA-N
-4D54D73B4A5CD86F_25C21EA1D1805F52_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCC3=C(C)C=NC=C3,MHTXPURXRWNQQB-UHFFFAOYSA-N
-4EBFDDB7A9FAD267_0F8986D66C5634A1_2875_UN,C[C@H]([N]1N=NC(=C1)C2=CC=C(NC(C=C)=O)C=C2)C3=CN=N[N]3C,RTVTURFAIJQYHQ-NSHDSACASA-N
-4F471CEB7B7DF5E9_D322006FAAA7C869_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]3[C@H](COC3)C(=O)O,BFPHRQLAJTYBBF-WDEREUQCSA-N
-4F4C52F803590791_3042FAAA00156760_6029_UN,IC1=C[N](N=C1)[S](C2=C(N=CC=C2)C3(CC3)C#N)(=O)=O,AOHALUPQOWKOOD-UHFFFAOYSA-N
-4F63B789B65B9FB4_85456F9EAAD6146B_6041_UN,FC1=C(C=C(C=C1)C2=NNC(C=C2)=O)NC3=C[N](C)N=C3C(=O)N4CCCC4,STNQTHZMIZVSED-UHFFFAOYSA-N
-4F6556A2F88BD581_6ECD85D595877625_6028_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC4=C(C=C3)OC(C)(C)C4)(=O)=O,BXBGKOBFXYCGFQ-UHFFFAOYSA-N
-4F6556A2F88BD581_C60DF1BF0E4C44AF_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C3=CC4=C(C=C3)OC(C)(C)C4)(=O)=O,BXBGKOBFXYCGFQ-UHFFFAOYSA-N
-504569D2DD9BEE3A_F4DD224036766BAF_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CN=C(N=C3)N4CCOCC4,JYOSMTCGGPWONZ-UHFFFAOYSA-N
-5386260B77E4FAFF_85738041BBB5CBE6_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(C(C)(C)C)C=C3)[N]4C5=CC=C(C=C5)Br)(=O)=O,NSNNMBPXHNFOPA-UHFFFAOYSA-N
-53BFAAFA639D767D_FAC4F364EE1FF231_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=NC(=N[NH]2)C3CC3)(=O)=O,ZFDAFKDJSDAHMN-UHFFFAOYSA-N
-55FEF223D0397F49_46EA2E9CBD74554D_6034_UN,OC1=CC(=O)N(C=N1)CC(N4CC2=C([N](C)C3=C2C=CC(=C3F)Cl)CC4)=O,IXTNLPBBKBQBMD-UHFFFAOYSA-N
-56B0F6D915D4B308_D79B8575A3372F4F_6029_UN,C#CC1CCN(CCC1)[S](C2=CC=C(C(F)CBr)C=C2)(=O)=O,FEWJTHUOIMNXRA-UHFFFAOYSA-N
-58860F788DEE00EF_B2A9B3454714572F_6041_DP,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CCC)C(=O)O,PPCTWARAOUESHO-NSHDSACASA-N
-58860F788DEE00EF_BECEFA1C3276D5F4_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CCC)C(=O)O,PPCTWARAOUESHO-NSHDSACASA-N
-589027F0B911F6AC_4306B3D5EFB78A54_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=C(C[N+](CC)(C)C)C=CC=C3)(=O)=O,JSBJVJYNWBIRBC-UHFFFAOYSA-N
-58B0F3E46F65537C_748C066CE2B309AE_6029_UN,CC(CO)C1CCN(CC1)[S](C3=C2OCOC2=CC(=C3)CC#N)(=O)=O,SSBIUYRCSBAFGS-UHFFFAOYSA-N
-5982F190918D2379_DA616323A583FF6B_2201_UN,CC3=NC1=C(C2=C(S1)CCC2)C(=C3SC4=[N+](C=C[N]4C)C)C5=NC=C(C=C5)Cl,RJCJWMGTOQYKED-UHFFFAOYSA-N
-59D1E8E294EE79D1_5E1398E21E86AEFC_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3CCC([S](C)=O)C3,DUZDVWNOSXXVOC-UHFFFAOYSA-N
-5B1501D724F22F52_3B68AA56E1ED2CCB_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[NH]N=C3C4=C[N](CC)N=C4)=O,MYVVZCNYOIUDNN-UHFFFAOYSA-N
-5E43A7E3F6D738E3_5AB0206588F60E66_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=CN=C(N3CCN(C)CC3)S4)=O,HCZDNTRGYZDVFK-INIZCTEOSA-N
-5EA205454F523ADB_D310791ABA1D2709_6041_UN,CC1=C(C(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F)[S](=O)O,IHWRMUBGVMQFCX-LBPRGKRZSA-N
-5F79FF907E8CA860_7253CCDC0F2831F3_6039_UN,CC3=CN1C(=NCC(C1)OCC2=CN=C(N(C)C)S2)C=C3,FMWJSUZRMOGAPC-UHFFFAOYSA-N
-62B2E87702F6896E_8EDACCD20EC9FBCF_6035_UN,CC2=C(OC1=CC=NC(=N1)CC(C(OC)=O)N)COC2=O,UQQYZUWDTIOFCP-UHFFFAOYSA-N
-636837DB28B8B69B_174A112EB2D4F2C5_6038_UN,CC1=NC3=C(C(=C1)NC(C2ON=C(C)C2)=O)C=CC=C3,CEPXESIXHOISQK-UHFFFAOYSA-N
-639BAB642869081B_3EFC20664F7EB360_2875_UN,N[S](=O)(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3=CN=C(CO)C=C3,YPIHVXPJVNCFLH-UHFFFAOYSA-N
-64BE8BF97918F17B_230E84D03CD05312_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC[C@@H]3[C@H](N(C)C(C3)=O)C4=C([N](N=C4)C)C)F,IHNTWEXIRPUFRX-ZMZPIMSZSA-N
-64D3DE310E437CCF_DEAF959A983A7A5F_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC4CCN(C3=CC=C([S](CC)(=O)=O)C=C3)CC4,WJJMYNMOVQTSQL-UHFFFAOYSA-N
-6682F2303222640F_268C4F80FA1BC514_6038_UN,CC3OC(=C(OC(=O)CC1=CSC(=N1)NC(=O)C2=C[NH]N=C2)C3=O)C,VNOXGXHXPRNOIT-UHFFFAOYSA-N
-682D90AFED5C547C_D6A3496CA55407FA_6038_UN,C[C@@H](NC(=O)C1=CC(=NN=C1)C2=CC=CC=C2)C3=CN=N[N]3C,SHBYIMQRTQOLEX-LLVKDONJSA-N
-689F414B5F21C521_F306089EC69DF738_6029_DP,FC1(C4=C(CN(C1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C=CC=C4)F,NTGQMGURYPBXHF-UHFFFAOYSA-N
-69160513D7FF4A4A_B15B33E0E053953F_6036_UN,C([CH]=[C]1C[CH2]C1)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=CC(=C(C=C3)F)Cl,HIKVYVMLAGOZRW-UHFFFAOYSA-N
-6A0CB5C94C3E855A_4D562AB94555BB8E_6038_UN,O(C1=C[N](=CC=C1)=O)C(C2=C[N](CC(N(C)C)=O)N=N2)=O,SZSQJCXGGQENBQ-UHFFFAOYSA-N
-6A0F0B5703B294D4_7631C336E233D0E4_6038_UN,CC1=N[N](C=C1)CCNC(C3ON=C(C2=C[N](N=C2C)C)C3)=O,NDJXHBRZXJJSRB-UHFFFAOYSA-N
-6A1A3C6F2F788311_9A5DCFE3D60D5D3B_6035_UN,CC3=CN1C(=NCC(C1)OC2=CC(=CC=C2)[S](=O)(=O)Cl)C=C3,CWBIQTZEAPSAJP-UHFFFAOYSA-N
-6A41C1C89D4A1941_A1F5C3368030FEAC_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=C(SC)C=C3)Cl,ZSPDFEAQJUCDGP-UHFFFAOYSA-N
-6C560123C99DF1F7_7A16ACF51EDE8776_6029_UN,C#CC1CCN(CCC1)[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,ONFDSXWHLROJQB-UHFFFAOYSA-N
-6CC75B7C25BC800A_F4A223BC02A66A9A_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCC3(C[S](C)(=O)=O)CCOCC3,MWXUUMPXRHFHFV-UHFFFAOYSA-N
-6EDFA124D69B7A04_08DF6BC65178662D_6041_UN,C1(=CC(=CC=C1)C2=NNC(=O)N2)N[C@@H]3COC[C@H]3N(C)C,ZHYBVIAHXJQECG-VXGBXAGGSA-N
-71B514FDC63D2327_98BF28663A9C3A41_6038_UN,C[C@@H](NC(C2=CC=C(C1=NN=C(C)C=C1)C=C2)=O)C3=CN=N[N]3C,VYCCJHUCJIGSQT-GFCCVEGCSA-N
-752E6DFBFA0DA307_6DAB2F0BFC42AEBE_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C3=NC(=NC(=N3)N(C)C)N)=O,WROAQMKSZCAROZ-NSHDSACASA-N
-75F62464FEC7A86E_FADDE54B62EA25DF_6034_UN,ClC1=NC2=C(C(=N1)I)N=CN2CC3CCN(CC3)C4=NC=C(C=C4)[N](=O)=O,YFVSPHJKFALBDW-UHFFFAOYSA-N
-76946E36C591F7E5_5E8F1E789739130F_6028_UN,CC1[N+](CCN(C1)C2=CC=C(C=C2)N[S](C3=NN=N[NH]3)(=O)=O)(C)C,UYPDBALAASLRCM-UHFFFAOYSA-N
-78B134AFB3273543_FDADAF652E9DEBAA_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(C=CC(=C3C)F)C(=O)O,RGJWKXXHZGYKMV-UHFFFAOYSA-N
-7F61E2902673DF9B_C4A8E5CCDA079C91_6038_UN,N([C@@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C3CCC([S](C)(=O)=O)CC3)=O,MNAXWHSUXNBFRV-QHAMSDLMSA-N
-7F7928165F63E0FA_4CCB25A0E24F3615_6038_UN,C[N]1C3=C(N=C1CCNC(C=C2CN(C)CC2)=O)C(=CC=C3)F,VKZLLIMJJVHSAY-UHFFFAOYSA-N
-7FBC22BBA794B767_5626F5C6A2349899_6035_UN,O(CCN1CCN(CC1)C2=NN=C(C=C2)Cl)C3=N[N](C)C=C3[N](=O)=O,BKTIQTWCCACANK-UHFFFAOYSA-N
-81480D02061AA35A_93182E4B7D5DD2F9_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(CC2=CC=C(C=C2)F)CCCCC3,ONLKPZAHWFATPF-UHFFFAOYSA-N
-82787222CC826430_561B0EBFA92A170D_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CC(CCC)CC)=O,BZSIIXAJHLWZLL-UHFFFAOYSA-N
-830591B74B0DDD2E_625DC715F0DA5505_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C(N(C)C)=O)C=C(C=C4)F,NCNUZFZMFSUILV-UHFFFAOYSA-N
-831D0049CC3F035C_2EAFE4E8911ED390_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C5=CN=C(C4=C(OC)C=CC=C4)N=C5)=O,PUPFBYSBQDFUQT-UHFFFAOYSA-N
-835D602308EF4C10_FC2721CA4C85C213_6041_DP,N1CC(C1)C2=NC(=NC=C2)NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,OPNDWTWGAIRQHV-UHFFFAOYSA-N
-83BC020F9F64C204_6B203C9457DEE312_6029_UN,CCC=C1CN(C1)[S](C3=C2CCC(F)(F)C2=CC=C3)(=O)=O,HGJVWDDNFOBDFH-UHFFFAOYSA-N
-84F29F79A1D89F48_726BB7F30EA0CFBC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CC(C2)[N]3C=NC=C3,YXPMSYLFANYXQS-UHFFFAOYSA-N
-863108D499FE3D94_C34D4E61250C6036_6038_DP,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=C(C3CNC3)[NH]N=C4)=O,NOBHPEVANLFERW-OAHLLOKOSA-N
-86CCFD38CE0DBBDE_B33FCCD2BD3EE241_6041_UN,CC1=NC(=NC(=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)(=O)C,VJDSBDDWOAETCH-AWEZNQCLSA-N
-8788A914B99E318F_DB1BFF11BCA9A071_6041_UN,C1(=C(C=CC=C1)C2=N[NH]N=N2)N[CH]4C[C]3(C[CH](C(OC)=O)C3)C4,XMXJOFOIGBOZPE-UHFFFAOYSA-N
-8AA6BC1D7D5FFCF1_5AE4E62BF34D35BF_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3=CN=CC(=C3)SC,IUGBFZWYMNGFSW-UHFFFAOYSA-N
-8B9C5AB2E6023CF5_1E338042CF925622_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC[N]2C3=C(N=C2CC)C=CC=C3)=O,OIOVJJUHAHIUNT-UHFFFAOYSA-N
-8BD764CF258E259C_358501D78126D0CD_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(F)C=CC(=C3)C#C)(=O)=O,KDENWMMVBAKTAT-UHFFFAOYSA-N
-8BFEB3FE248BE14D_33ECCAEF719CDC20_6038_UN,N(CCC[Si](O)(O)O)C(=O)C=C(C1CC1)C2=CC=CC=C2,LVTMUWKEMDDJPM-UHFFFAOYSA-N
-8FB986A2EC534D98_1F2CC059BA137486_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C3=NC=NC4=C3N=C[N]4C)=O,CUTVAQLOWCPMAH-GFCCVEGCSA-N
-90E7112A0D0BB8CE_05B396CA4AAD24B9_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C(CC)O)C=CC=C3)(=O)=O)C,QGADXEOYDRJFNR-UHFFFAOYSA-N
-91DFCB9EA98501FD_F314228265E5828C_6041_UN,CCOC(=O)C1=N[NH]C(=C1NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3)C,PYGLVQMPFKVMKQ-UHFFFAOYSA-N
-94A17BEA904560A6_829CE6E37AE06131_6041_UN,C1(=NN=C([NH]1)C2CCC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,ZTIZHPJIMISALZ-UHFFFAOYSA-N
-97040A992A275F80_E9A1D000BCD7B287_6041_UN,FC1=C(C(=C(C=C1)C#N)NCC2=NN=C(N(C)C)[NH]2)F,BTDKJUTYOJXOHP-UHFFFAOYSA-N
-99281B1CB6CCA253_5D097A839499B89E_6031_UN,O(C(=O)C1=CC=[N](C=C1)=O)CCN2CCN(CC2)C3=NN=C(C=C3)Cl,QFXFESSSKLGXHN-UHFFFAOYSA-N
-995E308AB91F9CE7_BBCD7FCEC1CBE0CC_6038_DP,N3CC(NC(C1=CC(=C(OC)C=C1)[N]2C=NN=N2)=O)CO3,OVBXKESLAVGRRE-UHFFFAOYSA-N
-9C7A028192FD1714_A1A3F5DF9BA16510_2875_UN,N2=N[N](CC1CC(=O)C1)C=C2CCC3=CC=C(CO)C=C3,WONSYDBPTAOVKK-UHFFFAOYSA-N
-A03B84ED97DC9CA7_5E6183E2E43868BE_6038_UN,N(CCCC1=C(C(=CC=C1)F)Br)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LCEDKLACWBGOPJ-UHFFFAOYSA-N
-A0C1F0D9AF5E343E_8B78901DA1624533_6029_UN,IC1=CC=C(C=C1)N2CCN(CC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,BSMZFPFREONLEW-UHFFFAOYSA-N
-A2310CACB20148F9_664BA37C0EF0DC8A_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=C(CC)C=CN=C3)(=O)=O,LDTXPOIUTIWDOY-UHFFFAOYSA-N
-A2C4263EE29AAEAD_B9764D0B6F26A18C_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=NC=C(C)C=C3,MABVHJKMZJTXTL-UHFFFAOYSA-N
-A35B3842846244C4_13B84508B4463C17_6036_UN,C([CH]=[C]1C[CH2]C1)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=CC(=C(C=C3)Cl)Cl,DUMGUPOOBNFIMC-UHFFFAOYSA-N
-A5B0AADB8799FD7C_04BE1F4E348AAE3A_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(CC2=CC=C(C=C2)Br)CCCCC3,HYMSCEXHNJKECH-UHFFFAOYSA-N
-A96B91E8FB2698BB_2AB18E1F291D675E_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NCC2=CC=C([Si](C)(C)C)C=C2)C3CC3,NLOWJNISXJMDAJ-UHFFFAOYSA-N
-A9751B56FE4E2A05_E4FFD6DF6A191DC7_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C[N](N=N3)C4=C(C=CC=C4)Br,FMQUONYHNVRFIX-UHFFFAOYSA-N
-A9ADF5D67AFF3676_A0DA2894E2590228_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(OC)C=CN=C4)=O,XLTLTMMKDQBUTE-UHFFFAOYSA-N
-A9B713D3DA73193E_6D15E2B4BA015F80_6035_UN,CN2CCN(C)CC(COC1=C(C=C(C)C=C1C)[S](=O)(=O)Cl)C2,QZRFCNUOVNGMGX-UHFFFAOYSA-N
-AA3313E74F942FB7_F945FA5D9EE3F635_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=C(S2)C3CC3)(=O)=O,NSEUBHPHPAZLLP-UHFFFAOYSA-N
-AB408D20FAEB2C4F_E1A74CABF316214D_6041_UN,OC(=O)C=CC1=CC=C(S1)C2=C(C=CC=C2)NC4=C(C=C3OCOC3=C4)C(=O)O,ZBBFSSKNXNCFOV-UHFFFAOYSA-N
-AB40B2492F389333_D2BD5199C926E62C_6006_UN,C1(=CC(=CN=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3(O)CCC3,IXCXSXMFRYKIEB-UHFFFAOYSA-N
-AC3CD18C85E66C5C_50DF3938E27F8A4E_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C4CC4,QBQRUARYWBEISG-AWEZNQCLSA-N
-AFFD46CD4A349333_9C1B32DDC4D0DFDE_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(C)N=CN=C3C)=O,DOUZTHSAOXMZJS-UHFFFAOYSA-N
-B1ED1D18C9507C27_49E71E6E6D41052E_2875_UN,N3=N[N](CC1CC2(C1)OCCO2)C=C3C4=C(C(C)=O)C=CC=C4,DJTIZGRGNFQYPE-UHFFFAOYSA-N
-B23759650EFA29AC_378500B5770D5FB0_6038_UN,N([C@H]1[C@H](CC1)F)C(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,XWAHTZAIOUNSQV-NWDGAFQWSA-N
-B2686528B416F3FB_AE4DB3672BD8FDC3_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC=CC(=C3)P(Cl)Cl)(=O)=O,JKTFZZWQUIHZFO-UHFFFAOYSA-N
-B2E5D15058A61063_658A20523A0471E7_6038_UN,NC1=NC(=N[NH]1)C2=CC=C(C=C2)OC(C=C3SCC(N3C)=O)=O,LIWZANLOSWKWSK-UHFFFAOYSA-N
-B47AFD31526BF2DD_CFE0C6F9FFE09EF0_6029_UN,N(C1(CC1)C2=CN=CC=C2)[S](C3=CN=CC(=C3)C=CCO)(=O)=O,WAOKVBKLMQXURK-UHFFFAOYSA-N
-B54CD237D8998C82_53A7F0DBF7930CA7_6009_UN,C1(=CCNCC1)CCCN[S](C2=CC=C(C)C=C2)(=O)=O,RBBVHXOUVSUWNZ-UHFFFAOYSA-N
-B635FB7B459EED7F_9733698FC2F4B81E_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=C([S](C)(=O)=O)C=C4,BBVXNKFLWODWLC-UHFFFAOYSA-N
-B8B64A0093EEB7C2_979EF66ABF60FBA1_6041_UN,O=[N]1=CC=C(C=C1)N[C@H]2CN(C[C@H]2OC)C3=NC(=NC=C3)N(C)C,SUXKPEOJKHWZFL-UONOGXRCSA-N
-B8F86AED620FFAF7_3BD7503A9023D2C6_6025_UN,C1(=NSC(=N1)N2CCNCC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O,WOLOGFALPNAWCY-UHFFFAOYSA-N
-BD5D8EE54D18C36F_6FFAFE4D20839349_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=C(C)C=NC(=N2)C3=NN=C[NH]3)=O)C=CC=C4,LNDMBTSTKGSSFP-DGCLKSJQSA-N
-C07238CAF7CF65EB_E7292FF6443BE7EC_6041_DP,COC1=CC3=C(C(=C1)NC2=CC=C(O)C=C2)C=CC=C3,CKOPWTULJMGNRT-UHFFFAOYSA-N
-C1F74D3302A314CC_99D91A1383EC608A_6035_UN,NCC2=CN(CCOC1=CN=C(N(CC(OC)=O)C)N=C1)C(=O)NC2=O,ZHJALNLRCIJVAA-UHFFFAOYSA-N
-C6C0B39E47F1A6BF_76E35988F655FC5A_6038_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC(C2=C(C)[NH]N=C2)=O,GSUUBKINWFTLDB-UHFFFAOYSA-N
-C6C67DB47BC502A1_FE827FC031F1C537_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N2CCN(C)CC2)C=CN=C3)[NH]4,PLXMOBFLCDTIIC-UHFFFAOYSA-N
-C7768399ADBE5953_775B8CF237360000_6029_UN,N(C1(CC1)C2=CC=NC=C2)[S](C3=CN=CC(=C3)C=CCO)(=O)=O,CVGPCBMYZLYWPD-UHFFFAOYSA-N
-C8E22F4BA57A93D5_9B6B9A585E1FB7BA_6038_UN,O([C@@H]1COC(=O)C1)C(=O)CC2=CSC(=N2)NC(=O)C3=C[NH]N=C3,YVWUDAUTFJCSHX-VIFPVBQESA-N
-CA904AF185B32A56_552F6C57BAD7A4AA_6041_UN,C1(=NC(=NC=C1)C2CC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,WGDPKPNQKPLDKS-UHFFFAOYSA-N
-CB94320988E61887_BBCEECD1DA203C81_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4CCN(C3=C([S](CC)(=O)=O)C=CC=C3)CC4,RTGKOHJBWIEWFL-UHFFFAOYSA-N
-D0706D8BC88BC256_391C71F609FDCAE3_6041_UN,CC1=C([N](N=C1)C)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C,JPNJYCTXAMWHLR-VXGBXAGGSA-N
-D0706D8BC88BC256_ED61BF7B454A7783_6041_UN,CC1=C([N](N=C1)C)N[C@@H]2CN(C)C[C@H]2C3=CN=C[N]3C,JPNJYCTXAMWHLR-VXGBXAGGSA-N
-D1D1BD47B830B2CA_16C018DFCCF51F14_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)CBr)(=O)=O,PKFDIIIXENFENW-UHFFFAOYSA-N
-D47AD15F9F584755_B84E105F34B9AE3A_6029_UN,OC1=NOC(=C1)C2CN(C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,VFFNJHGDDNZKBB-UHFFFAOYSA-N
-D5743A8F47DE8083_F2489106905C25DD_6041_UN,OC(=O)C=CC2=CC(=C1OCOC1=C2)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O,ABVIUAFFMMJBGM-UHFFFAOYSA-N
-D763DA6FCCB9FBA5_E4E54C44BD8DE1F9_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=NN=C(C(CC)(C)C)O3)(=O)=O,KCWDBNFYMLEDRK-UHFFFAOYSA-N
-D912A5A1AFF0E9F6_378EC15ACE04F86C_2875_UN,F[C@@H]1CC[C@@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,KMJMMUMVFHZNMC-CABCVRRESA-N
-DA67FC2C04E057D0_272EA9651D5DFCB8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=CC=C(C)C=C3,CNVCCFAYQTVEHY-UHFFFAOYSA-N
-DB82CA6BAEAC7894_32B02BEA29AFD16D_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC4OCCN(C(C)=O)C4,CUCCJQCVSOJHCO-UHFFFAOYSA-N
-DDACCDB8318E2A9F_0CAA8AF94DCA6064_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O)C,SIADQMJIXVCBEB-UHFFFAOYSA-N
-DF11BB7D82BFBB18_347DEAA01360F077_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3=C(C=CC=C3)C4CCC4,ZTKBUCGESRXVAW-UHFFFAOYSA-N
-DF7FBDC2F6CA4AE2_E44C2929361EBC12_6003_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C)C=C(C4=NON=C34)[N](=O)=O,ARXFZAYTVLXGPB-UHFFFAOYSA-N
-E098FB7F60D4278F_BB64EF12B4BAACB8_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C2=N[NH]C(=C2)C(N)=O)=O,NLUUIVKTJWWQOH-UHFFFAOYSA-N
-E10894228910C9EE_99E144180ADA3310_6038_UN,CC(NC(C[N]1C=C(C(N(C)C)=O)N=N1)=O)C2=CCN(C)CC2,UULURWDVRLAVQC-UHFFFAOYSA-N
-E3ABC9A39B72A8F3_BFDBBE4E38A4BA6D_6041_UN,CC[N]1C=C(N=C1C)NC3C2=CC=CC(=C2OCC3)C,QAUKEEDXYNIHBY-UHFFFAOYSA-N
-EB6EDBE8FF68B644_B6F4A6DC220F2B46_6034_UN,CC1=C(C3=C(N1C[C@H](C2=N[NH]C(=N2)C)N)C=CC(=C3)C#N)C,RXZIEBBCHZLOKL-CQSZACIVSA-N
-EBF98500D5A4A98E_E5AB586B8DA9FCFD_6034_UN,CC1=CC(=O)N(C(=N1)C2=CN=C(C=C2)Cl)CC5=C(N3CCCN(C)CC3)N=C4C=CC=CC4=C5,IUBCLPWFVNOMIW-UHFFFAOYSA-N
-ED3A61EAC822CA5A_42B22FEA94FF82CE_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)Cl)(=O)=O,BRNHRDWLLFSRQE-UHFFFAOYSA-N
-EECB8F04EE9E8D4E_6A78C5A575AAE6A9_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[S](=O)(=O)O,ACVFHFVFMIERKX-UHFFFAOYSA-N
-F0A9A2F1761C264E_1F154CB1D002878B_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(N=CC=N2)I,VZDXNCBHOWMKLZ-UHFFFAOYSA-N
-F1715BF3693E8ECC_B029DF83C40D305A_6029_UN,C1CN(CCN1[S](C3=CC2=C(C(=C([N](=O)=O)C=N2)Cl)C=C3)(=O)=O)C4=NN=CC=N4,BMEDUTLFMJNINJ-UHFFFAOYSA-N
-F4581F1891DF5ED8_C50984B7A276E4DC_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=NN=C(N)C=C3)=O,NACBKWWRLIKNRS-GFCCVEGCSA-N
-F4B02E036B037526_C58C25655B8D5F66_6038_DP,N(C1C2=C(OC1)C=CC(=C2)F)C(C3=NC=C(C(O)=O)C=C3)=O,ZTIOTPILNAOBIO-UHFFFAOYSA-N
-F5752B3A7B044AF5_F608923D06D1258D_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(CC3=NON=C3C)=O,RVBILCXYNBIYBU-LBPRGKRZSA-N
-F5D2D65F9C0F072F_4537CA1402F4E070_6036_UN,C1(CCCC1=C2CCCC2)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=CC(=C(C=C4)F)Cl,LSFDPDFSYDFYSQ-UHFFFAOYSA-N
-F8EB56DF1E8A5D6F_ECAC66522C97E2A7_6006_UN,C1(=CC(=CN=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3,VVUVSMVFIXASOM-UHFFFAOYSA-N
-F9388C289DDE4633_E5B32C78B560138C_6038_UN,CC3(COC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2)CN(C3)C4=CC=C(C=C4)F,NYKHFONVHAPAOS-UHFFFAOYSA-N
-FA1216BB4AD582B9_9D0C3FFA197CEB5B_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4=C(C3=NN=C[N]3C)N=CC=C4)=O,RIAAPVRQAFREBW-HNNXBMFYSA-N
-FB599DB84D4D6CFA_B061575AD1133168_6038_UN,CC1=C(C4=C(C=C1)C(NC(C3=C(C)[N]2C=NN=C2N=C3)=O)CO4)C,UGTZCVZLEGFRIV-UHFFFAOYSA-N
-FB9232CBCA1F1297_0180A50DF864C03D_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(CC)N=CN=C3CC)=O,INHHTXGTOZDWPB-UHFFFAOYSA-N
-FD46A9C1A79A5D44_6FD3BFECF3C2AC85_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=C(C2=NN=C[N]2C)N=CC=C3)=O)C=CC=C4,SWFXHFFQCYOWTM-IUODEOHRSA-N
-FDD5381F76FE593A_34D284629EA57ABA_6038_DP,N(CC1=CC(=O)NN1)C(C2=COC(=C2)C=CC(O)=O)=O,UDYMJCVVONDRRK-UHFFFAOYSA-N
-FE90AD8EEDEF580F_01CF97F92EEEEBF0_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4=CN=C(N3CCN(C)CC3)S4)=O,DRAIGSGHTHHVKC-UHFFFAOYSA-N
-FEED84BE62DABA4B_0E3B8CDAA0FE42E7_6038_DP,N1CCOC(=C1)COC(=O)CC2=CSC(=N2)NC(=O)C3=C[NH]N=C3,GCKFZBXBZWPUEY-UHFFFAOYSA-N
-FF8E9B77D516A214_06AA060E324D0C59_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CC3)C4CCC4,RVOAFROOVHPILK-UHFFFAOYSA-N
-FFE94256A7382FB3_437B8EA13C2C2E21_6025_UN,C1(=CC=C(C=CC(=O)O)S1)C2=C(C=CC=C2)COC3=CC=CC=C3,GYABRCOEUPVDMQ-UHFFFAOYSA-N
-rxn:1:40303:9426,COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cn(CC=Cc2ccc(C(=O)O)cc2)nn1,KNNVDWYLRGRIHT-UHFFFAOYSA-N
-rxn:1:43718:25100,CN1CCN(c2ccc(N3CC(c4cn(CC#Cc5cc(Br)ccc5C(=O)O)nn4)CC3=O)nc2)CC1,XYPCGFPVUWFCSW-UHFFFAOYSA-N
-rxn:1:49364:701,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(C(=O)c2c[nH]c3ccccc23)nn1,GQICGOXDAATGFS-UHFFFAOYSA-N
-rxn:1:49398:17799,CCCC(=O)c1cc(-c2cn(CC3CC(C)(C)C(=O)O3)nn2)c2c(c1)C(CC)C(=O)N2,BJDFOIPWFLSNFC-UHFFFAOYSA-N
-rxn:1:49457:2470,COc1cc(C=C2C(=O)ON=C2C)ccc1OCc1cn(-c2cccc(N3CCC(=O)NC3=O)c2C)nn1,QZIXOZOQZCNAKG-UHFFFAOYSA-N
-rxn:1:50435:13456,COCC1CCN(C(=O)c2cccc(-c3cn(CC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)c2)CC1,WHXLPPUZXRADLY-UHFFFAOYSA-N
-rxn:1:52917:8005,O=C1OC(NC(=O)c2ccccc2)C(n2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)nn2)=C1Cl,SJOWFNMPYFLJJO-UHFFFAOYSA-N
-rxn:1:54197:29709,COC1CCN(C(=O)c2ccc(-c3cn(CCC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)cc2)CC1,AFUCVSKGJFMMBJ-UHFFFAOYSA-N
-rxn:1:58227:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CC(=O)Nc3ccc(F)c(F)c3F)nn2)N1,YXHKVHXXOWNMBP-UHFFFAOYSA-N
-rxn:1:60317:4593,COc1ccc(C=CC(=O)N2CCC(n3cc(COc4ccc(C=CC(=O)O)cc4Cl)nn3)CC2)cc1,GYCXJQHBMORLNF-UHFFFAOYSA-N
-rxn:1:63249:17807,CCC(=O)c1cc(-c2cn(CC3CC(=O)N(c4ccc(OC)cc4C(=O)O)C3)nn2)c2c(c1)C(C)(C)C(=O)N2,SOIPFDQWYYWJPZ-UHFFFAOYSA-N
-rxn:1:63426:10628,Cc1cc(F)c(N2CC(Cn3cc(CNC(=O)c4cc(=O)c5cc(N6CCCC6)ccc5[nH]4)nn3)CC2=O)cc1F,RUSJARPSOTUXRU-UHFFFAOYSA-N
-rxn:1:63755:29320,Cc1ccnc(N2CC(Cn3cc(COc4ccc(Cl)cc4C(=O)N4CCN(C)CC4)nn3)CC2=O)c1,ZOKMEXISLAQADK-UHFFFAOYSA-N
-rxn:1:64792:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)O)cc5Br)C4)nn3)c2)CC1,YQDRESMUKCHENT-UHFFFAOYSA-N
-rxn:2:111757:164761,CCN1CCS(=O)(=O)c2ccc(NC3CCCN(c4ccc5c(c4)OCCO5)C3(C)C)cc2C1,LWPOQZFNPVWCQX-UHFFFAOYSA-N
-003794299302EBC3_6C389383F1582CAC_6003_UN,CC2=C(C)C(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)CCC2,DBIVXGMEFUIUIK-UHFFFAOYSA-N
-008A2BFFFA4E20E0_6898174FFFD845F9_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=CC=C(C=C2)C3(CCC3)C#N)(=O)=O,MIHZOWYHVZOMDY-UHFFFAOYSA-N
-01F32B4277C4F035_693869D82729B12B_2201_UN,CC(C)[C@@H]3CC[C@@H](C)C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34,VADFQIKTIYJEGS-OCCSQVGLSA-N
-02FF6911CACC6D68_E0A2EAAE6320045C_2201_UN,CN3CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CC=C4,VDUMMTBWTYNGBG-UHFFFAOYSA-N
-0367AF337B1A9847_8D79B12DDB45B796_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C3=NC=CC(=C3)CO)(=O)=O,HSSHQXGRQLOOAV-UHFFFAOYSA-N
-03A413A6F5D63B12_54DC00136A0A7207_6034_UN,CC1=C(C#N)C(=O)N(C(=O)N1C2CC2)CCC(C)NC3=NC=C(C=C3)Br,BWWLVSAOSXKYGM-UHFFFAOYSA-N
-055B3F1236B82FEB_2052F28CDFE8C1C9_7019_UN,C(C(=O)NC(=O)NC1=CC=CC=C1)=CC3=CC(=C2C=CSC2=C3)O,KTAVDTGKRNNHAE-UHFFFAOYSA-N
-05E58A24ADEE373E_04AB2CC59A994BED_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CO)C=CC(=C3)C#N)(=O)=O,RIDOHHVWINCEAT-UHFFFAOYSA-N
-05EEEE753019A8DB_7AE0C2997742F222_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCCC)C=C2,ILDDXHMVGOUPOO-UHFFFAOYSA-N
-0645252489E39F9C_358BDD9B57C71DB1_6003_UN,CC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CCOC3=O,WZGIMNSJZWNKNJ-UHFFFAOYSA-N
-06BBFBBF141ECBCE_2672C94DA91D8045_6041_DP,O=[N](=O)C1=CC(=C(C=C1)NC2=C(CNC2)C#N)N3C(=O)C=CC3=O,UTIBUECNZIGWTO-UHFFFAOYSA-N
-06BD18208B4B2D92_CDC5B56D8BEFE925_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)I)(=O)=O,UFDXTUBQJGLVPP-UKRRQHHQSA-N
-08F33B3D8E073251_DC8B172ADD1B38DB_6038_UN,N(CC1=NC(=N[NH]1)C2=CN=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,BFYGRUSSDWNHPF-UHFFFAOYSA-N
-0923655F25B7CC0B_997D213F237BBD6F_6028_UN,N(C[C@H]1[C@@H](C1)C2CCC2)[S](C3=CC=C(COC)C=C3)(=O)=O,XFKOLHGBRCVVCP-HOCLYGCPSA-N
-0B45AEE991D0AB07_7F8B24726F928744_6029_UN,N(C1CCC(CC1)C2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,YPQFNCIXQROCHD-UHFFFAOYSA-N
-0B84E4822196DD44_52CB05EFA1B0A346_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=C(C=C(C=C3)Cl)Cl,FJOPQIFEKCBGKJ-UHFFFAOYSA-N
-0CD657745291D5B2_4405B8C8DA2B6C49_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C4=C[N](=CC=C4)=O,VYEOXSHHJMJMSJ-UHFFFAOYSA-N
-0FCF7AF512070B1B_C22C24E6F5D64820_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)S)(=O)=O,IORBYGHGLMGLSV-UHFFFAOYSA-N
-12198CD053F25B49_8755C227B3A5B7F3_6029_DP,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C4=CC=C(C3(CNC3)N=[N]#N)C=C4)(=O)=O,BINVFVVEPHYQLT-UHFFFAOYSA-N
-13EBF155677A95BE_A0247FC585260903_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C#N)CO)(=O)=O,VHKBXBBRXBBRNM-UHFFFAOYSA-N
-173C3F3931F7645F_BF35F41FB819B387_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3C)CO)(=O)=O,ITEQYWMJJAEFBW-UHFFFAOYSA-N
-1AB76BF233997AC2_64E5A0FF49B84101_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,QYSYVLXHYAZXMN-UHFFFAOYSA-N
-1BAFFDD9DBB4C908_A383C44ECF45AFBF_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C(=C(OC)C=C2)OC)OC,REURVQRZWAMFPU-UHFFFAOYSA-N
-1D29FB5555D1F739_7B295A2EABA3158F_2201_UN,OC[C@@H](O)[C@@H](O)C2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3,FHBAWHQKVNIIGZ-APWZRJJASA-N
-207204EBD7C6EC28_A569B6E5795C2BBA_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,JHGLNFLQCKOFHK-UHFFFAOYSA-N
-20AB16F1DA2EDD49_A40BA0FD3FB6D441_6041_UN,C2(=C1NC(NC1=CN=C2)=O)NC3=C(C)C=CC(=C3)C4=CC=C(C#N)S4,UNSJSCYEQLVBJP-UHFFFAOYSA-N
-20F60F748C7E7523_2333D93919BA1299_6029_UN,CC1(CC(C1)N[S](C2=CC=C(C(C)CO)C=C2)(=O)=O)C3=CC=CC=C3,ZUZQWUYAJQCUCI-UHFFFAOYSA-N
-2147774BA8A75E81_ECFFFCDD387B23B8_6028_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3Br)(=O)=O,ICERAORNCKZOCH-HDJSIYSDSA-N
-2164C92D7BFEB0CF_8D625DAA17D89005_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CO)C=CC=C3)(=O)=O,JSPVUIBFGZHVNF-UHFFFAOYSA-N
-217DA5F866890F9D_587390E612A30B10_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC4(CN2CCN(CC2)C3=CC=C(C=C3)F)CC4)[NH]5,LFQABPUIEWSVDO-UHFFFAOYSA-N
-262336D928A0AF34_944830691455C0BE_6035_UN,CCCN(CCC)C(=O)COC1=C(C(OC)=O)SC=C1,CWMKOCCHHGLDPW-UHFFFAOYSA-N
-275FBD9E6885FD3A_4AE866F1BD3A95EE_6003_UN,O(CC1(CCC1)C(F)F)C2=CC=C([S](C(C)C)(=O)=O)C=C2,MNGCNOXXNXJTDX-UHFFFAOYSA-N
-280B9D0F7FE19918_DDF7DE4F2A18A9C9_6038_DP,N1CC(=C(C1)C#N)NC(=O)C3=CC=C(C[N]2C=CC(=N2)[N](=O)=O)O3,UZASGJWLTJUUQW-UHFFFAOYSA-N
-28A0A18E9B308818_19CD42EBB6591F6E_6038_UN,COC(=O)C1=CN=C(CCNC(CC(C(OCC)=O)C(=O)C)=O)S1,NIYXFKZDYCNXLQ-UHFFFAOYSA-N
-2AE1B4A5E231F138_D9C95FBEE681F578_6038_UN,COC(=O)C1=C(C=C(C(=C1)F)C)NC(C2=N[NH]C(=C2)CCCCC)=O,BSIVTWFJMIKYER-UHFFFAOYSA-N
-2C08AC34DD67684B_15AA1FC3D95378E4_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(CC2=CC=C(C=C2)F)CCCC3,RXLIZYZHAILPRB-UHFFFAOYSA-N
-2D17B25C03D784CC_A1B43623ACA39088_6031_UN,COC1=CC(=C(C=C1)OC)C=CC(=O)OCCN2C(=O)CNC2=O,OKINUBGCCFLMMK-UHFFFAOYSA-N
-309981B53BDD0247_2E7C773C71453A29_6029_UN,N(C1(CC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,VXUXHKUDGLZBAE-UHFFFAOYSA-N
-326608D666213A3A_C94CB1AD32E0F45C_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(C=CC=C3)I,WSAAAZAIOUMHBX-UHFFFAOYSA-N
-332DCB46064DD655_CC267A710E73AC30_6041_UN,C1(=CC=C(C=C1)C2=NNC(C=C2)=O)NCC(O)C(O)C=C,OQOTYVBEVQCIBM-UHFFFAOYSA-N
-335FF19491992A8A_77DE6B7C96B64D22_6027_UN,N(C1(CC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,XXNFPZMSAFPTIQ-UHFFFAOYSA-N
-35CC2158E08E0002_C36334F1EB7D47DA_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(N)N=CC(=C4)[N](=O)=O)=O,YLDDBEKFUORFGR-UHFFFAOYSA-N
-360D2D0F8F0F3C1A_7A1FE03480261EFA_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC#C[Si](C)(C)C,APTVQRJSTBVMRZ-UHFFFAOYSA-N
-3798C4A5C1C697A6_AC73E6C1E1887A03_6003_DP,N2CC(=C(F)COC1=CC=C(C(CC(CC)=O)=O)C=C1)C2,XGGSCLKVWKIVBD-UHFFFAOYSA-N
-37D83669B94583B9_7F80AA3B82EB06B5_6031_UN,O(C(=O)C1=CC(=CN=C1)N2CCCC2=O)CC3=C(CC)C=CC=C3OC,UXVRLQOHMAJHGN-UHFFFAOYSA-N
-39D349E87B7AC970_A5E3AED3BCEC757E_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(N1CCCC1)[N]2C3=CC(=CC=C3)Cl)(=O)=O,BPNMGAQXRXKOQN-UHFFFAOYSA-N
-3B6B8989E0AA7ECC_8498002F53FBED4C_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C(CCN(C)C)=C)=O,PMDGEVFVHINQOU-UHFFFAOYSA-N
-3CB24DA72C797805_49631B4A8464ABE8_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CCCC(N(CC)CC)=O)=O,WQGXAPLIEWKYDC-UHFFFAOYSA-N
-3FA21B69EDA6E7A1_245B229F2042F409_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCCN(C)C)=O,MHORAYMEBFCOLN-UHFFFAOYSA-N
-3FD4B632CF926E8C_DAFE085D5B636EAD_6038_DP,CCN(CC)C1=CC=C(C=C1)NC(CN2CCNCC2=O)=O,BSXYACKNWVHCFQ-UHFFFAOYSA-N
-3FD784E0186B797A_39E1ECEFE16AE9C5_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,CCOHCNHRMYKZRK-UHFFFAOYSA-N
-408D30A37F9556EE_8BB4B868B49F278A_6029_UN,C=C2CCN(C1(CC1)C2)[S](C3=C(C[N+](CC)(C)C)C=CC=C3)(=O)=O,NSGXGVGTGHXWIN-UHFFFAOYSA-N
-4120D403C6189CA2_C52AC4CF298F3355_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=N3)(=O)=O,JHAUTAJHOGAZFM-UHFFFAOYSA-N
-41FA8BBF4B1A20FB_075CC76FCD5A89AC_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)F)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,BCZVIRZCINKUDW-DOTOQJQBSA-N
-424DF0BFD8AA806F_A5EF912BF8AF1E63_6035_UN,CN4C[C@@H]3C[C@@H](OC2=CC=C(C1=N[NH]C(=N1)N)C=C2)CN3C4=O,ZEHUCMFMSAXFQZ-CMPLNLGQSA-N
-428D1512AD938A2E_5C8C85CB558C45CF_6038_UN,CC1=C(NC(C=C(CCC)C)=O)C=N[N]1C[Si](C)(C)C,ROQYIUCPCFXLPE-UHFFFAOYSA-N
-42BC94490004BF09_5119C2AA9ADFCBE0_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC(=N[NH]3)OC)(=O)=O,LKOFLLYSURPKLM-UHFFFAOYSA-N
-42FB58D4456A59F1_C441861D8B2BE796_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,NJJNMJDPTBPKCL-UHFFFAOYSA-N
-4657C12203697FEC_960D14655438428F_6034_UN,COC2=CC1=C(C=CC=C1Br)N(C2=O)C3=CC=CC=CC3=O,YEINVTKWSVBXTB-UHFFFAOYSA-N
-474B6EF42E552A2F_ED2B152D97D7D6A8_6038_UN,S(C(C1CC1)C2=CC=CC=C2)C(=O)C3=NC=C(C=C3)C#C,XNBOYRLFZXHDFV-UHFFFAOYSA-N
-494B88D5308FA5CB_189E9365D2E0724A_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,SVYBYLIDNHLMKY-UHFFFAOYSA-N
-49A59BD76888A9F4_226F439EFA011104_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C(CC(C(OC)=O)=O)=O)C=CC=C3)(=O)=O,WEYCTVZWJXHFBV-UHFFFAOYSA-N
-49C9A42C6736AAFA_781070F8C2EB82BF_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=CC=CC4=C3[N](C)N=N4)=O,DWEYNYZZRANKEE-UHFFFAOYSA-N
-4A17065A68EDBFB3_FF1E21F3B9390D95_6004_UN,C1(=CC2=C(N=C1)CCCC2=O)C3=C(CCC)C=CC=C3,MRPJHTNLTTYKFY-UHFFFAOYSA-N
-4A7C935FB8844CF3_9139122618F1DC97_6041_UN,OC(=O)C1=C(C=C(S1)NC2=CC(=CC=C2)N3CCOC3=O)[N](=O)=O,QXPHZOMGUBQGFU-UHFFFAOYSA-N
-4D0139FEFAC6084C_ED0DCFBB48C7476C_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)CO)(=O)=O,NOSVQENCFMSGDA-UHFFFAOYSA-N
-5167E32C8FE2DCF8_18C57E2799E9F99A_6034_UN,O=[N](=O)C1=NN=C(Br)N1CC3CCN(C2=CC=C(CN)C=C2)CC3,CCOLHEXPEJYWMF-UHFFFAOYSA-N
-52137E66C2C3A817_0497D6915299F1EC_6039_UN,CC2=C(OCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)C(=O)CC2,XAOAEPXPAVHRPO-UHFFFAOYSA-N
-524A92C8A7DD4348_A99DDE775EB5255B_6038_UN,N(C1=C(C=C(C=C1F)C#C)F)C(C2=N[NH]C(=C2)CC)=O,BHQCBZNFDZAHPX-UHFFFAOYSA-N
-5404E5B0D4BCCB76_85C4CF056943A105_6038_UN,CCN(CC)CC(C)(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,CZERZFYAOVZAAP-UHFFFAOYSA-N
-545050512C5A9A49_4E200C877FA38115_6026_UN,FC(F)(F)C1=CC=C(O1)[S](=O)(=O)NCC2(C(C)C)CC2,ZYCWLMRDDOLKQF-UHFFFAOYSA-N
-5548344A98B07F7F_8ABC6FAF80EB5153_6029_UN,FC(F)(F)CCN1CN(CC1=O)[S](C2=C([N](=O)=O)SC=C2)(=O)=O,CZSPNINSCRDBDW-UHFFFAOYSA-N
-57265259F3E1A790_38836175499723CF_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=C(N(C)C)C=C3)F,BEGKBKOUTWXJSM-UHFFFAOYSA-N
-589ECD3282073EEC_027AA7A14DD222D0_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)CO)(=O)=O,XDUYRXPXQQUZPT-UHFFFAOYSA-N
-593C6916CF0B11AB_A997F894DAD0FC30_6038_DP,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(C4=C(CO)C=CC=C4)=O,ZIGSHDWXOIXIGW-UHFFFAOYSA-N
-5A095448BDFF8FF8_45E1084554C76CBA_6038_UN,CC1=C(C=CC=C1NC(CC(CC)CN(C)C)=O)N2C(=O)CCC2=O,YZZYAVBFSBEJHW-UHFFFAOYSA-N
-5A7D6A9CF05769BE_986B4A2020C3A888_7019_UN,CC1=CC(=C(C=C1)C)NC(=O)C=CC2=C(CO)C=CC=C2,HGKIDZCTVQYNPN-UHFFFAOYSA-N
-5E9B6491A181E3F3_4E5345C51D840F18_6029_UN,OC2(CC1=C(C=CC=C1)F)CCN(CC2)[S](C4=C(CBr)C=C3OCOC3=C4)(=O)=O,QREFGZYMZQCENL-UHFFFAOYSA-N
-5EA725734C3A8874_0B9A88465718C727_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3F)C)(=O)=O,MFNIMPZUQDDMPP-UHFFFAOYSA-N
-5F646F885627CB34_F4167BC03E3A55B4_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=C(C2=NC(=NO2)C(C)C)C=CC=C3)=O,JXRYWMCFJDANMI-UHFFFAOYSA-N
-6021B75DAD9427A7_72D697A8EC2D5A82_6003_UN,ONC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2C(=O)C3=CC=CC=C3,KHIAFZGYKDLADZ-UHFFFAOYSA-N
-614BDEA7C0ABB05E_476081D7A34909BB_6041_DP,CC(C)CC(=O)C1=CC=C(C=C1)NC2=C(CO)C=CC=C2,VOOIZFBNJLTCMK-UHFFFAOYSA-N
-630274C51D884A27_627C7E199990C1EA_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(OCCOC)C=CC=C2,WDJLBEWRALYWKZ-UHFFFAOYSA-N
-63028D5AF6A659EF_ABC1DA5C37D7B40B_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)F,XZVFZLGFQFGHDM-NSHDSACASA-N
-63CB44F0395872A1_B6341C0A062BBCD3_6039_UN,COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC(=O)NC2=NN=N[NH]2,QXVSGAQOHPRZCO-UHFFFAOYSA-N
-6542BA8CFD1F9C59_0881C3CB2C582C4E_6039_UN,CCOC(=O)N(C)CCOCC(NC1=C(C(OC)=O)SC=C1)=O,JQWZTAQPYZTANN-UHFFFAOYSA-N
-67420878AA1EAF6A_ACB0BDAA3D78B03E_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3Cl)C)(=O)=O,AHZHJMLFYJOUTE-UHFFFAOYSA-N
-675352F155844E07_92B61D830B17D4CF_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C(C)(C)N2CCCC2)C3=CC(=C(C=C3)F)F,RELVJGOMHPXSIG-UHFFFAOYSA-N
-6872D53CEB758A88_135689E8864C1E50_6038_UN,C[N]2C=C(NC(C1=CC(=C(N(C)C)C=C1)F)=O)C(=N2)C(=O)N3CCC3,CUNIGIYHYLFAIM-UHFFFAOYSA-N
-68CBC932289A81EB_415C219713B65925_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C=C(C(=C2)N3CCOCC3)F)[N](=O)=O)C=CC(=C4)F,VSEDWIHAUMTBOM-UHFFFAOYSA-N
-6CA4007EB484833F_EC0963A79D8FD536_6027_UN,N(CC1(CC1)C2=NC=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,WGCWLYOEYMININ-UHFFFAOYSA-N
-7041C87528EED0C9_02AD140580F68E1B_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC(=CC=C2)OC4=C3C=CC=CC3=NC=C4,YUGUNDPPNNRXQE-QFIPXVFZSA-N
-70BA1AB8605864A0_095FC7C5AEB3234D_6038_UN,CC1=CC(=C(C=C1)CCNC(C2=C[N](CC)N=N2)=O)C,WWIMBEFFCMNULB-UHFFFAOYSA-N
-717F1DE644247038_0327DF105FB7E5E7_6028_UN,N(CC1(CC1)C2=NC=CC=C2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,HIEXREBVGLYEAV-UHFFFAOYSA-N
-724CC594FC0A18EC_6203BD0F98BEAD0B_6004_UN,Cl[S](=O)(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3(O)CCC3,UYEYAZNVZLDTJC-UHFFFAOYSA-N
-7288E7B178088891_D3F7BECEDD763134_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CCCCC)=O,UULPLQYJGKGCKV-UHFFFAOYSA-N
-7373554A7F4FEC99_D6CDA93BDADC7FC7_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)I,QTQALLAYADFSSU-UHFFFAOYSA-N
-737715D408D47DE3_B5FBD93553FA5B1A_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)C(C(NO)CC4=CC=CC=C4)=O,MKYMBPFRXAHAQT-UHFFFAOYSA-N
-749FD409B825F866_4DEA627086A83BB4_6003_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,VQOJEZAYKRIDFM-UHFFFAOYSA-N
-77E73A0BBFC6CF84_F9CD76DA9B9651B0_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3(C)CN(C3)C4=CC=C(C=C4)F,NDGPVLMUNJUMIK-UHFFFAOYSA-N
-77F0923DBBA1AF8B_BCA1764A84DCA281_6029_UN,N(C1(CC1)CCO)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,ADBLRGXYHOPSKE-UHFFFAOYSA-N
-79408956EBC05E8F_43CA6400FEBE15F9_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCCN2CCN=C2CC)F,PGFFMZZRNUBEHA-UHFFFAOYSA-N
-79408956EBC05E8F_FB1EE716D3A0B553_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCCN2CCN=C2CC)F,PGFFMZZRNUBEHA-UHFFFAOYSA-N
-7A38B45EB068443A_1E9D3E1D78FB8CE2_7019_UN,C[Si](C)(C)C#CC=CC1=C([N](N=N1)C2=CC=CC=C2)C3CC3,HTIBUKZFONRKBT-UHFFFAOYSA-N
-7A853A86EB4E85AE_36EEA91E576604D1_6038_DP,CC(NC(C(C)N1CCNCC1=O)=O)C2=CC=C(C=C2)N(C)C,FFLHDUNBBVYQOE-UHFFFAOYSA-N
-7AB66B2C89D87AA8_2C8948715156932F_6038_UN,CC(C)[C@H](NC(CCCC(CC)(C)C)=O)C1=NC=C[NH]1,UVRWBRMZZSCYBW-AWEZNQCLSA-N
-7B1E914CB8710BE9_D9A27B94EE925BE5_6027_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,YNDBLHHYLGHBBU-UHFFFAOYSA-N
-7B4DEECDBC527A16_B47B190C3E4BC553_6038_DP,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4=C(CO)C=CC=C4)=O,OKVHCBFQPCNUKH-UHFFFAOYSA-N
-7B75FCD42DD48E46_6F720B753DD11BBD_6003_DP,N2CC(COC1=C(C=CC=C1C(OC)=O)[S](=O)(=O)Cl)C2,QOTLJDWRTKIOCM-UHFFFAOYSA-N
-7C048451E25F1116_4C0C3E235D99D29D_6035_UN,O(CCN1C(=O)CNC1=O)C2=C(OC)C=C(C(=C2)Br)CN,JOHZFLHLMSVACZ-UHFFFAOYSA-N
-7F6E4AB60D023820_4E214064DF2BBF89_7022_UN,C1(=C(C=CC=C1)C#N)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O,KIYSTKPLOMEJLV-UHFFFAOYSA-N
-7F79CC6E71DBC4E9_7F6E49D8406E04B8_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(OCOC)C=CC(=C2)OC,QLRQKHIYNXVEDP-UHFFFAOYSA-N
-8024D733C8AE9B14_3DD9ECFF4E8452DC_6003_UN,CCCC2CCC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)CC2,DZSNRFCYIKUEOS-UHFFFAOYSA-N
-81427D1B0AF22162_7BCDADA9DC4D3CC2_6035_UN,CC2(CCOC1=C(C(OC)=O)C=CC=C1[N](=O)=O)N=N2,KYSAYZMUPPAMQM-UHFFFAOYSA-N
-845A2E18E481D8D4_74440B513E3FB90D_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(CC(CCC)(C)C)=O,PAHFJEKHFAZZBS-UHFFFAOYSA-N
-84B1568A2299FB0E_5D4E460759BFD17F_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC(C)N3CCNC3=O,RQQVBVFDOKPIPZ-UHFFFAOYSA-N
-8531EDDF0C85AE9D_165EB7D376541463_6029_UN,O=[N](=O)C1=C(C=CC(=C1)Cl)N2CCN(CC2)[S](C3=C(B(O)O)C=CC=N3)(=O)=O,TWMNHYYTYJPJKX-UHFFFAOYSA-N
-85931003DD36355F_6929DCFE73D92243_6038_UN,C[C@@H](NC(CC1=CC=C([Si](C)(C)C)C=C1)=O)C2=N[NH]C(=N2)C,XSLFHKBHTONENC-LLVKDONJSA-N
-86273690D5472559_E13299973E31D594_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC3(CC2=CC=C(C=C2)Cl)CCCC3,DMFXXSSDRKAHGJ-UHFFFAOYSA-N
-8639BD07F5088775_2024E941565BB496_6038_UN,OB(O)C1=C(C(=CC=C1OC(C3=NC2=NC=N[N]2C(=C3)C(C)C)=O)F)F,FPLQOZDUNKESBJ-UHFFFAOYSA-N
-86AAE1AF0EBA9137_C169DFFD46C1D1CD_6038_DP,CCC1=C(C=C(C=C1)NC(CN2CCNCC2=O)=O)CC,RLHBUXPHXJMZRR-UHFFFAOYSA-N
-8748E16EE4E1BA08_96A9F68AC5BD40C5_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(OCCN(C)C)C=CC=C3)(=O)=O,OKQYFEHUCWNXPB-UHFFFAOYSA-N
-886855C858B67723_FFD8D8A73FCB8108_6041_DP,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CNC2)C3=NC=CC=C3,SRNMNZMBTMQVMP-UHFFFAOYSA-N
-89442FE0E64EAF1B_4D1401F946446D31_6027_UN,N(C1(CCOCC1)CC2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,SXOWIHOHADNPDQ-UHFFFAOYSA-N
-8BD4FCEC3D4A25E5_3A2C051CAD4EF553_6041_UN,C1(=CC=C(N=C=O)O1)NCC(C(OCC)=O)(CC)CC,CXVRIXQXUHBZAD-UHFFFAOYSA-N
-8BD5EE80667C9317_3B9EC49F05F936F1_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(CCCCC)C)=O,OQJAOEUJLDNMJU-UHFFFAOYSA-N
-8C25C5400B6CDF5B_BDD320F6E084F06B_6035_UN,O(CC1CCC(F)(F)CC1)C2=CC=C([S](C)(=O)=O)C=C2,SOOUYRBOJODEOS-UHFFFAOYSA-N
-8C25C5400B6CDF5B_FA55CBA23A3EDE87_6003_UN,O(CC1CCC(F)(F)CC1)C2=CC=C([S](C)(=O)=O)C=C2,SOOUYRBOJODEOS-UHFFFAOYSA-N
-8C80EB74D650F9F9_F1BE9DE1CDCCD47F_6029_UN,N(C1CCCC1C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,RCNZXJCBTWYNAR-MDAWKPQNSA-N
-8E0B960D5D525BB3_08F6DF403F847E5E_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NC3(C2=CC=C(C)C=C2)CCCCC3,IWYLKOTYJNWKHG-UHFFFAOYSA-N
-908770C2B788EBD5_94C3278E780A59FF_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(COC1=CC=C(C)C=C1)[N]2CC=C)(=O)=O,GGLGPMSJGBUIEP-UHFFFAOYSA-N
-90DBB8BE4E600841_0B46D824169C7F61_6029_UN,N(CC(O)(CO)CO)[S](C1=CC=C(OC(C(C)C)C#N)C=C1)(=O)=O,VFZZBBZAIUNBCI-UHFFFAOYSA-N
-94B9BE1C91757023_48AF98BD7F7C4366_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CNC4CSC4,ZBCTWGZHMBZAJC-UHFFFAOYSA-N
-95A98D343B7AB4E7_33CEB62AD826DC45_6041_UN,C[N]1C(=NN=C1C(C)(C)C)NC2C3=C(OC2)C=CC=C3,PRPPOHCDBGQUFY-UHFFFAOYSA-N
-97ADD33081492BC8_04A929CC1313421A_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CO)(=O)=O,AVRPPNVSJYPXSP-UHFFFAOYSA-N
-9903C55904322B66_75E460F7793E8E29_6029_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C2=C[N](C3=NC=NC(=C23)Cl)C4CC4)(=O)=O,DEBBJPDDJSPVNI-INIZCTEOSA-N
-9A8230BCB04B2D5B_5A8621E85138A31A_6029_UN,N(CC(O)CC(=O)O)[S](C1=CN=C([N](=O)=O)C=C1)(=O)=O,XEHFKCRUHRTTEG-UHFFFAOYSA-N
-9C0E1A4238DA4F9A_3F41BD7EB1EF82E7_6041_DP,O[S](=O)(=O)C1=CC=C(C=C1)NC2(CNC2)C3=NC=CC=C3,RRAXHWWQAFXEDT-UHFFFAOYSA-N
-9CC70708F8AF85A9_A6A4BF7D6BD0AE2E_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C=C3)C#C)C)(=O)=O,DVXWUXXKBHVSIN-UHFFFAOYSA-N
-9D0248393D44864E_6E1C9375341FB81C_6038_UN,N(C1=CN=C(C=C1)F)C(C=CC2=CC=CC(=C2)OC)=O,RHPNLMNOWZYFIX-UHFFFAOYSA-N
-9DA52F81E9B5D1C7_FCD62EA76DAB1D57_2201_UN,CC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C(Br)C(C)(C)C3,HOHCGCOOQDYTTA-UHFFFAOYSA-N
-9E139E10E6C2EAC6_5573F6D049820240_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=N[NH]C(=N2)C3CC3)(=O)=O,XURLPFQCTGBSCA-UHFFFAOYSA-N
-9E5DBA6B2A1BE28A_67D9F5C61B20C96B_6039_DP,N1CC(=CC1=O)OCC(N(CC2=C(OC)C=CC=C2)C)=O,GTQJHFZKZUJGGV-UHFFFAOYSA-N
-9EE34D18BAC472FD_B06FE2E0031FD150_6038_UN,CC(OC(=O)C1=CC(=CN=C1)N2CCCC2=O)CC3=CC4=C(C=C3)OCO4,DHJRREGLAJMKLV-UHFFFAOYSA-N
-A008C3517A23BB21_AEFDC627103A0BF3_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C)C=CC=C4[N](=O)=O,FBAIPDUHLSCBRI-UHFFFAOYSA-N
-A1702EF76BF11A93_208D2FE1F51178FF_6031_UN,O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)N2C(=O)C=CC2=O)CC4=C(N(C)C3=NN=N[N]3C4)C,PBPBRXCGFMTPNZ-UHFFFAOYSA-N
-A3AB131A8FE9BB6B_C19DBF72B04FC1C2_6004_UN,CC1=NC(=C2[N]1CCNC2)C3=CC=C([Si](C)(C)C)C=C3,JFFVJAQLTAOACT-UHFFFAOYSA-N
-A4577736FC2A9C35_02F3AF0D9175DE1D_6038_UN,CCN(C)CCCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,PXVRNJZORDJVSD-UHFFFAOYSA-N
-A4848BEABDE397B2_DE70C72DC101FC90_6028_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)OC)(=O)=O,BWDKWRJMIFKDCU-IRXDYDNUSA-N
-A5FEDB2FC01D7324_28F26BF400F3D9EB_6029_UN,N(CC(C1CC1)C2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)CO)(=O)=O,MXNQFRBQBICVRM-UHFFFAOYSA-N
-A6E6F576B78880EF_89B223502CEEC67F_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=C3C(=NC=C2)C=CC=C3,QGOAUTLOUBQVIV-KRWDZBQOSA-N
-A8CD805393837184_5C2E2939D18FAE61_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,SJGABKOOXDHOML-UHFFFAOYSA-N
-A9B3B7CA9F4C50EF_448AA39A9DA9ED47_6029_DP,N(CC(C1CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,WUNHYWYBBWIETE-UHFFFAOYSA-N
-AC5215AC02540E7D_CBB06BC216E2E36A_6038_UN,CC(C)C1=CN=C(CNC(CCCN(C(OC)=O)C)=O)O1,BUUUCLYVQBOHJQ-UHFFFAOYSA-N
-AC5D98480A9831A7_8BB269922BD5E648_6038_DP,N(C1=CC=C(C=C1)[N]2C=C(C#N)C=N2)C([C@@H]3CSCN3)=O,YEQWNQWYEDZVHL-ZDUSSCGKSA-N
-AE97D54CD8B0B8DD_DC2977494BE7FBA2_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=CC=C(C(N(C)C)=O)C=C2)=O,WFGKMENVKGIAAE-UHFFFAOYSA-N
-AEECE8794D266D55_78E8BFAD619CD5A6_6038_UN,O(C1=C[N](=CC=C1)=O)C(=O)C2=C[N](C=N2)C3=NC(=NS3)C4CC4,IPAFSPIUROYHET-UHFFFAOYSA-N
-BC44AAC9FD86DABE_A08EC33AE8B5B347_6039_UN,O(C1(COC1)C2CCC2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,SWJCGBNRCCZCBO-UHFFFAOYSA-N
-BC709DE2EB851AB3_B326FB7020547DF2_6003_UN,O(C1=C(Br)CCC1=O)C2=CC=C([S](CC(OC)=O)(=O)=O)C=C2,UFEMJVIWDNARBG-UHFFFAOYSA-N
-BCF786F5AF708A4A_DBEC8C324FD81860_6038_UN,CC3=C(NC(=O)C1=CC=CN2C1=NCC2)C=N[N]3C[Si](C)(C)C,YCDUZBXYKIOADM-UHFFFAOYSA-N
-BD191391A4F4B929_50429C05BD0CD63B_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3C)CO)(=O)=O,MSPRRYNHDOEWSU-UHFFFAOYSA-N
-BD923A0166FAC63B_EB386FB74E063DB0_6038_UN,CC(C)(COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)SCCC#C,OZYFLPZQSMFEAA-UHFFFAOYSA-N
-BDDBA8DB34094E1D_68BA25150DDA3E35_6043_UN,C1(=CC2=C(C=C1)C=C[N]2CC3=CC=CC=C3)N[S](=O)(=O)C4=CC=C(C=C4)C(=N)NO,ADFVESPJULYWQA-UHFFFAOYSA-N
-C1528026625DF238_B30293B61B4E7438_6038_DP,N1CC(=CC1=O)OC(C=CC2=CC(=C(C=C2)OC)OCC)=O,MOLAISGQDBZVNW-UHFFFAOYSA-N
-C2B69672DC094D75_E7C6366F0D81A3D2_7019_UN,FC1=CC(=C(C=C1)F)NC(=O)C=CC2=C(CO)C=CC=C2,ZKRQETKMAFLECF-UHFFFAOYSA-N
-C38E7337B84A43C8_E100A5FDEE55425A_6038_UN,CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(CCC3(C)N=N3)=O,GJNDQXKDEHWRJL-UHFFFAOYSA-N
-C44E5C00F368A360_643D91F356DE630C_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O,ZGTASOBTBGVBGU-UHFFFAOYSA-N
-C51482130419D802_9EA18F5F5FD1ED2C_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,AULLVXJBCMHMLQ-UHFFFAOYSA-N
-C6D00BF9A2096CC7_8E576E5A2F8C11AE_7015_UN,N(C(C1CCCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3C)(=O)=O,ZMQMKLWIZCYGNS-UHFFFAOYSA-N
-C709A91227AD8580_AF17CAFA7519DAFB_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC2=CC=C(C=C2)OC4=C3C=CC=CC3=NC=C4,RYISGHTXIOLYQV-JOCHJYFZSA-N
-C8315B265DE26C4F_2FEE48F582A830B0_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C(CC)[N](N=C2)CC(C)C)N3CCOC3=O,WVOAJHSEZLGCJH-UHFFFAOYSA-N
-C8BCA4E32F45CEB5_145319536AD34CA9_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)NC4=C(N3CCN(C)CC3)C=C(C(=C4)Br)F,DNFPKMZFBFXDHM-UHFFFAOYSA-N
-C8F19331851507D4_B3AB3ABC824EF992_6003_UN,CC3=C(OC2=CC=C(C(C1=C(C(O)=O)C=CC=C1)=O)C=C2)C(=O)OC3,UAVJHKVCDUDTDU-UHFFFAOYSA-N
-C937DC7CE49A29FE_33E0F50CDE5D6E1F_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3)[NH]4,LUVRHBKCYPDWME-UHFFFAOYSA-N
-C9B06FF5C08875DB_CA9A166405625D0F_6034_UN,CN1CC(=O)N(C(=O)C1)CCC2=CC(=C(OC)C=C2)OC,RZTLNSNJQBHUEL-UHFFFAOYSA-N
-CA040F6594CAC1AC_14FC9C862728B38C_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC(=C3)C)Cl)(=O)=O,XKSWQCYFUSZRDY-UHFFFAOYSA-N
-CD8A0B84B22C979B_4156C2F4A3E5DAE7_6029_UN,N(C1(CCOCC1)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,QFOUGIDNECLGTA-UHFFFAOYSA-N
-CE823252A2C60686_91DA5C302F791AAD_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC(=C(CN3CCCN(C)CC3)C=C4)F)(=O)=O,SGTPLULXTVUGNP-UHFFFAOYSA-N
-CFFE82708590A3BA_9E45BFE4A1D300CC_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCC(C)CC2)[N]3C4CC4)(=O)=O,HQXXENDTEPRAPG-UHFFFAOYSA-N
-D1B5BD1AEE15E0DB_E9B714B229DB2133_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C=C3)S)C)(=O)=O,NNIDEUXOEBOJNS-UHFFFAOYSA-N
-D2071201EC619104_59BACB963954650E_6028_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C=C(C=C3)C(F)(F)F)(=O)=O,CTBXBLWYJSLITK-UHFFFAOYSA-N
-D2071201EC619104_74F6EF270E3E9CE0_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C=C(C=C3)C(F)(F)F)(=O)=O,CTBXBLWYJSLITK-UHFFFAOYSA-N
-D21E798D287A06B9_BDBC57D2FAC201B1_6028_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3)F)(=O)=O,RIJDHURHYMAJJC-UHFFFAOYSA-N
-D2F1F83C43439E69_E8293771E864A3B1_6038_UN,CC(C)(F)COC(C)(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,WRXAZFKCBGZMQT-UHFFFAOYSA-N
-D50153A1361A9157_6A25E54E737747A4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCC(C)C3=CC=NC=C3,DZVCFHOHIXILNN-UHFFFAOYSA-N
-D5E43B5D12588BCD_13940A70BEDD0C5A_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,UVMZMRKKLMMKEQ-UHFFFAOYSA-N
-DA7C900261C69B6A_084F04E3FD625A70_7005_UN,[NH]2C1=CC=CC(=C1N=C2C3ON=C(C(C)(C)C)C3)C#N,YJNUZBBEDQQZFR-UHFFFAOYSA-N
-DE492E26F989B1EA_FECDC917A41D8A84_6038_UN,CCCN(C)CC(C)(C)COC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2,GYSMABZKQKZMHA-UHFFFAOYSA-N
-E2CF693B8930F71E_BB0332124A1115AE_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC#CC3=C(C(=CC=C3)F)F,HBNHTYKLPINPFB-UHFFFAOYSA-N
-E36B38A2A14CC7D9_6D7A05174615E68C_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=C([N]1CC(C)=C)COC2=CC=CC=C2)(=O)=O,RXWGSCFPLBVTLL-UHFFFAOYSA-N
-E4084AEDEEFC1B11_DAE62C7A3E2A3770_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3(CCNC3)C4=CC(=CC=C4)F,RKDQCQVJINNFGS-UHFFFAOYSA-N
-E48D601073DAC45B_EA6F7AC184E242E2_6028_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=C(C)C=C(C=C3C)F)(=O)=O,PHSWFRYCBGYCQL-UHFFFAOYSA-N
-E63DB27D14991739_7CAABDC591F0FC75_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,RSDHJWMFFDXKIM-UHFFFAOYSA-N
-E736981D79F5FA83_9DDCC5F855C32488_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,DUUJNZUQSZQCAP-UHFFFAOYSA-N
-EEEDFFA556A51792_8DDA6C61454967C4_6027_UN,N(C1(CCOCC1)CC2=CC=CC=C2)[S](C3=C(C=C(C)C=C3C)C)(=O)=O,TZYLKFOWPZWKRG-UHFFFAOYSA-N
-F17732796BD0DE33_D02AFAD1AE58DF37_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CC=C(C(C(OC)=O)=[N]#N)C=C3)(=O)=O,WLQFWLULEWIMDR-UHFFFAOYSA-N
-F1E6FFBF1B9243BC_5B5B75EC45442460_7019_UN,C(C(=O)NC(=O)C1=CC=CC=C1)=CC3=C(O)N=C2C=CC=CC2=C3,CVEPMIINHKSOML-UHFFFAOYSA-N
-F264BE6AF4AA8025_23B0FFA57BF35A0F_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2CC(C)C)N3CCOCC3)(=O)=O,JTGQWWHBAWDEFT-UHFFFAOYSA-N
-F2C5AE48FD14E86C_5480686006B3698B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=CC(=CC=C3)I,BGOSXOPNOKPWKF-UHFFFAOYSA-N
-F50071B28614277D_51B10C9D85ECBBA3_6035_UN,CC(OC3=CC1=C(C(C(=C(C)O1)C2=CC=CC=C2)=O)C=C3)C4CSC4,VZQKUKWELCGLNG-UHFFFAOYSA-N
-F540BE291F9C768C_E65E41EB0A519C30_7019_UN,C(C(=O)N1CCC(=CC1)C2=CC=CC=C2)=CC3=C(O)C=C(C(=C3)Cl)F,LDENWZFWVNVGFV-UHFFFAOYSA-N
-F5B3F77B546EE655_46F64DDD8B741EDE_6038_UN,N(C1=CC2=C(N=C1)[NH]C=C2)C(CCCCC(CC)C)=O,DHLFCZHZQVKKGO-UHFFFAOYSA-N
-F7BA208C125F342B_52E7F3916BF6D23B_6038_UN,CN(C)CC(OC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2)CN(C)C,NKFFLZPLLFEKFF-UHFFFAOYSA-N
-F896D85FD97B1D7E_2929C7BB62F29BD6_6041_DP,CC1=C(C=C(C=C1)NCCCCC(C(NN)=O)(C)C)N=C=O,DIMGRSDAZFGKMS-UHFFFAOYSA-N
-F8E30D023A34F63B_93563BFDC36CC5A3_6041_UN,CC1=NC(=C(C(=N1)C)C)NCC2=CC3=C(C=C2)OCCC3,PVJNOCCWDBASAM-UHFFFAOYSA-N
-F951E57CED7DF0A9_790A0A99A2C30814_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Cl)Cl)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,JAKBVQPJLJSJOG-WMLDXEAASA-N
-F9B0FBA5BE580761_CEEB4E54BCF9743E_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OCCC(C)C,VTTVCZLGROZIQF-UHFFFAOYSA-N
-FAD38EA233BADBA7_D38CB81DCD8B0E7F_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=C(C)C=CC=C2)CCCCC3)Cl,QUGQABPZZXBFJR-UHFFFAOYSA-N
-FD9210598FCED12C_5922E76C0A5B029F_6027_UN,N(CC1(CCC1)C2=NC=CC=C2)[S](C3=CC=C(C)C=C3)(=O)=O,VXJKCUPNGBTSJY-UHFFFAOYSA-N
-FDB7B102203D13B3_7E83998459CC8B5F_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,FFBCNGRMNZTCCG-UHFFFAOYSA-N
-FDC89F043FBDF3B7_AD4EB66D097625CB_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=C(C)C=CC=C2)CCCCC3)F,ZQTJRRODAXIJMK-UHFFFAOYSA-N
-FF301CD7B24491A3_62A51E893EE8F0A7_6029_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3C)C)(=O)=O,IPHHGHPDWWIWJJ-WOVMCDHWSA-N
-rxn:1:46940:26868,Cc1ccc(Cl)cc1C(O)C(O)Cn1cc(C2CC(=O)N(c3ccccc3C(=O)N3CCCC3)C2)nn1,GIFINPUCELDRFP-UHFFFAOYSA-N
-rxn:1:47738:10386,CN1CCN(c2ccc3[nH]c(C(=O)Nc4cccc(-c5cn(CC(O)C(O)c6cc(F)c(CO)c(F)c6)nn5)c4)cc(=O)c3c2)CC1,MSHULOJGPKVXQC-UHFFFAOYSA-N
-rxn:1:51042:25296,COc1ccc(N2CC(c3cn(CC4C(c5ccc(OC)c(C(=O)O)c5)C4(F)F)nn3)CC2=O)c(C(=O)O)c1,ZNEZQCMHFKVPAE-UHFFFAOYSA-N
-rxn:1:60251:13325,Cc1cncc(Br)c1NC(=O)c1cccc(-c2cn(CCCCC(O)=C3C(=O)CC(C)(C)CC3=O)nn2)c1,HVUKQEQOBUOFRK-UHFFFAOYSA-N
-rxn:1:60315:2470,CCOc1ccc(C(=O)N2CCC(n3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4OC)nn3)CC2)cn1,RXEQRGUTOFODSO-UHFFFAOYSA-N
-rxn:1:61175:24721,CC(=O)NC1=C(n2cc(C3CC(=O)N([C@@H](CS)C(=O)O)C3)nn2)C(=O)c2ccccc2C1=O,QOXBTXGRCVCTHJ-MHTVFEQDSA-N
-rxn:1:62393:6403,CN1CCN(c2ncc(-c3cn(-c4ccc([N+](=O)[O-])c(C(=O)ON5C(=O)CCC5=O)c4)nn3)cn2)CC1,AUANEINLZJBGDT-UHFFFAOYSA-N
-rxn:1:62849:19696,COc1ccc([N+](=O)[O-])cc1OCc1cn(CC2CC(=O)N(C(C)(C)C(=O)O)C2)nn1,KRAZIYPHEUGKTI-UHFFFAOYSA-N
-rxn:1:62968:34723,CC(=O)c1ccc(N2CC(Cn3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4Br)nn3)CC2=O)cc1,GJZVNJOPRLFAKD-UHFFFAOYSA-N
-rxn:1:63021:33381,CCOc1ccccc1N1CC(Cn2cc(CN3C(=O)SC(=Cc4ccc(OC)c(I)c4)C3=O)nn2)CC1=O,FLMDJSUXAGPNJM-UHFFFAOYSA-N
-rxn:1:63022:33381,CCOc1cccc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,PGXVRKZSZCTKGF-UHFFFAOYSA-N
-rxn:1:63218:7865,COc1cc(OC)c(N2CC(Cn3cc(C(=O)N4CC=C(c5ccccc5)CC4)nn3)CC2=O)cc1F,FFPRHPTWLXTFBU-UHFFFAOYSA-N
-rxn:1:63249:13552,COc1ccc(N2CC(Cn3cc(-c4cccc(C(=O)Nc5ncc(Br)c(C(F)(F)F)n5)c4)nn3)CC2=O)c(C(=O)O)c1,MYXKGTHINGWLNW-UHFFFAOYSA-N
-rxn:1:63332:28606,COc1cc(C(=O)O)cc(N2CC(Cn3cc(COc4ccc(C=C5ON(c6ccccc6)N=C5C)cc4Br)nn3)CC2=O)c1,GKOFCPDEVKYYMV-UHFFFAOYSA-N
-rxn:1:63341:34723,COc1cc(N2CC(Cn3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4Br)nn3)CC2=O)c2ncccc2c1,QPMGHVPDWPMMKC-UHFFFAOYSA-N
-rxn:1:63400:25669,Cc1ccc2cccc(N3CC(c4cn(CC5CC(=O)N(c6ccccc6C#C[Si](C)(C)C)C5)nn4)CC3=O)c2n1,WEWTXDJOQGGCPK-UHFFFAOYSA-N
-rxn:1:63767:9432,Cc1cc(N2CC(Cn3cc(COC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)CC2=O)cc([N+](=O)[O-])c1,YIALIURWNAQEKX-UHFFFAOYSA-N
-rxn:1:64165:18660,O=C1CC(Cn2cc(CN3C(=O)SC(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)C3=O)nn2)CN1Cc1ccc(O)cc1,UPWZXYAQXVCDLY-UHFFFAOYSA-N
-rxn:1:64921:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4cnccc4C(=O)O)C3)nn2)OC1=O,OLBYDZNWNDIXQT-UHFFFAOYSA-N
-rxn:1:64931:34891,CC(NC(=O)c1ccc(Cl)cc1B(O)O)c1cn(CC2CC(=O)N(c3nc(Cl)ccc3C(=O)O)C2)nn1,GXHRBMWLWNOJBA-UHFFFAOYSA-N
-rxn:1:65276:26049,NNC(=O)c1cccc(N2CC(Cn3cc(C4CC(=O)N(CCC[Si](O)(O)O)C4)nn3)CC2=O)c1,HJHNRDCRMYTALI-UHFFFAOYSA-N
-rxn:2:100207:149518,CC(Nc1ccc(N2CCC3(CC2)CN(C)C3)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,JUHZNOISULAYTN-UHFFFAOYSA-N
-rxn:2:141052:149518,Cc1cc(OC2CCN(C)CC2)ccc1NC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1,OMWRFXWJHISIRN-UHFFFAOYSA-N
-rxn:2:66901:93541,CC(N[C@@H](CC1CC1)c1ccc(S(C)(=O)=O)cc1)ON1CCC(=O)CC1,IQVWCMKHSRUKCR-PKDNWHCCSA-N
-007D71E861A7B272_06B1A2A6BBCEA0AD_6038_DP,CN(C)C1=CC(=C(C(=C1)C)NC(C2CN(C)C(CN2)=O)=O)C,NWHRWPGSAFRXKM-UHFFFAOYSA-N
-0154F90597683EBA_9D7EA5730998E0DB_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,IAYVIXFLYUCLQI-UHFFFAOYSA-N
-018C9A0B6BF02F02_F9CA84325C12848B_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C2OCOC2=CC(=C3)F)(=O)=O,IEMDRIIFTCKUJC-UHFFFAOYSA-N
-01B188F8EA85CB2B_C6A89BD2017ABC2C_6038_UN,CCOC(=O)C(NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CN(C)C,PPIKQFUBDCXWEJ-UHFFFAOYSA-N
-021CD311A0DEAC13_2B973F6C92A2F240_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=CC=C(N(C)C(=O)C)C=C2)=O,BXQHAHHDGUKKKY-UHFFFAOYSA-N
-03014A3668DBEF3D_12278216C830DB5C_6028_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)Br)(=O)=O,XMTXDEIACZQMOA-UHFFFAOYSA-N
-033AD81FBD9E3420_779A27D0D5AB247E_6038_UN,CCCCOC(=O)C(NC(C(N(C)C)=O)=O)CC1=CSC=C1,UTTNIFZZOSRPRN-UHFFFAOYSA-N
-04D104B98567A92B_09265FE13FE0EEDD_6039_UN,CC(C)C2=NN=C(COCC(C(=C1C=CN(C)C=C1)C#N)=O)S2,PJKNEAIUHCZLNO-UHFFFAOYSA-N
-063AEB6006CECF5D_D282EE3992404D0F_6038_UN,CN(O)C(=O)CNC(C1=CC=NC2=C(C(OCC)=O)C=N[N]12)=O,XNUSSUPZBGIYQA-UHFFFAOYSA-N
-0974CC2F6438D9AC_469BBE3557FB6BA9_6038_DP,NC(=O)C1=CC(=CC(=C1)NC(C(C)=C2CNC2)=O)C(=O)N,AMLZXFWAHLSGPS-UHFFFAOYSA-N
-0BDC11740EF5FC06_87D0725B6CC4BCDB_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3)F)[S](=O)(=O)F,YKEBIRFOZIWJQS-UHFFFAOYSA-N
-0C929017725D8E4D_133FD85FE7CAC34F_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(N3CCCC3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,JUQWSLZXBSZVLY-UHFFFAOYSA-N
-0D5E4C844951D13F_F4EE4CBA742C9E46_6038_DP,CN(C)C(=O)CC1=CC=C(C=C1)NC(CN2CCNCC2=O)=O,ZIHTYVLKZHEIQY-UHFFFAOYSA-N
-0D844C57A03B4395_49EBB353EB8F9029_6041_DP,CC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)NC4=C(N3CCNCC3=O)C=CC=C4)F,RGWNEKWRIFGWMR-IRXDYDNUSA-N
-118DFF476DE524EB_58614663D8ADC0EE_6041_DP,CN(C)C1=CC(=CC=C1)NC2=C([N](N=C2C)C)C3CNC3,RXPFIHVTJGHRAK-UHFFFAOYSA-N
-129001505FD97360_808A323A99F0E064_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C3=C(C=C(CC)C=C3)Cl)(=O)=O,HGVMJEWSGJOZMS-UHFFFAOYSA-N
-13D4372DB5C84C99_AFDEA3BC6A5FE7BC_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=NNC(=O)CC3,BJXSQGPIQZBLFQ-UHFFFAOYSA-N
-15E473029B40316B_1AA7C638AFEC0C54_6003_UN,CC1CCC(=CC1=O)OC3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,QVKXSNRIQIKNDS-UHFFFAOYSA-N
-16EE6A4F5D246627_25E95C1F3A72ADA2_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,JTVPOQLTSNWCHF-UHFFFAOYSA-N
-1714E1BAE454B904_210BA936080977EF_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4=C(C=CC=C4)Cl)(=O)=O,ITYFZEUAURDOFL-UHFFFAOYSA-N
-17624D293DD303D9_796870D2B233EE27_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C[N](CCN(C)C)N=C3,LSLRAQKTYWSXGO-UHFFFAOYSA-N
-1770CE0384F8BB24_63E32A31E8FABBF8_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCCC3=CC=C(N2CCN(C)CC2)C=C3)[NH]4,YCYXDNVFHSKZCT-UHFFFAOYSA-N
-1824E2A8F3481F01_39F7B15574C908A4_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C=C(OC)C=C2)OC(C)C,PTHBRNBERCBRNI-UHFFFAOYSA-N
-19CA9B14B99064AD_756984BB456828A4_6038_UN,CC1=NC5=C(C(=C1)N4CCC(OC(=O)C2CN(C(=O)C2)C3=CC(=CC(=C3)F)F)CC4)C=CC=C5,LMQIHWBVYYRNRY-UHFFFAOYSA-N
-1DB7976C21E5785B_218CE1459A0915FD_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,LIJWBLBHTQIZMJ-UHFFFAOYSA-N
-1E2FFC8E6CF01312_D9FAB551630FC62C_6041_UN,COC2=C1C(=NC=NC1=CC=C2)NCC3(C)C[S](C3)(=O)=O,UXYXWFXMHWAPLE-UHFFFAOYSA-N
-1EFCFB016D30A257_569496541BBA9391_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CCC)CC)=O,XSHIWXCPPPOAJR-UHFFFAOYSA-N
-1F4FFF9EE521C15D_8DE446198BA4756C_6029_UN,OC1=C(C=CC=C1)C2=CCCN(C2)[S](C4=CC(=C3OCOC3=C4)Cl)(=O)=O,ZAGSBHIHJGDPNI-UHFFFAOYSA-N
-2170029A97890041_C9C9AEDF09157CC4_6038_UN,COC1=C(C=C(C=C1)[N](=O)=O)NC(C2=CN[S](N=C2C)(=O)=O)=O,PCKWTQXOUAGENE-UHFFFAOYSA-N
-21CE8BCD0CF9E927_F1BBF7362DD7F535_6038_DP,N(C2=C1C=CC=CC1=NC=C2C#N)C(C3CNCC3(C)C)=O,BNIMQFYUEMFRSJ-UHFFFAOYSA-N
-239D3E170F767124_6708A3E23B8A1D1F_6003_DP,N1CC(=CC1=O)OC2=CC=C(C(NCC(O)=O)=O)C=C2,OZRLCOXSPUGKRQ-UHFFFAOYSA-N
-2586749D4B338366_6C850E31E025BB0C_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=C([S](C)=O)C=CC=C2)=O,MKRFRYBDTIULBC-LPOBJOOYSA-N
-2722A556491DC6C3_ABE1EFFA6693AA19_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC(C)C3=CC=C(C=C3)[S](=O)C,HVZUTZGPUXNWHK-UHFFFAOYSA-N
-2959F10A05CDCB0F_8EAC0D50C08FC378_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCN(C(C)=O)CC3)C)=O,LTFAFQNHRUWLLG-UHFFFAOYSA-N
-29F091AB684127D0_5770D3E49B96100A_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=C([S](O)=O)C=C(C=C3)F)(=O)=O,KLNHZHXAAIXOMG-UHFFFAOYSA-N
-2A7C508B695425BB_7B518722DAE683DD_6041_UN,COC1=C(C(=NC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)[N](=O)=O,AETUCTOABLJPEY-NSHDSACASA-N
-2BDE6354D8C70896_EF17711630E5E42B_6041_UN,CC1=C(C(=NC=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,GPENVBCPCBRHOX-CYBMUJFWSA-N
-2C7510432E52279A_8DDC68CC03C1B1BA_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2(CCNCC2)[N]3C=CC=N3)=O,QHIRRWZTWVREFU-UHFFFAOYSA-N
-2D80368B6BEAE8F6_CE1B314A99F08E3F_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2(CCC2)C3=CC=C(C=C3)C#N)[NH]4,CMBXDARSKQLUAZ-UHFFFAOYSA-N
-30018AD12A610E81_D05BB0B19E63B3CB_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C2=NN=C([N]2CC(C)C)C3=C(C=CC=C3)F)(=O)=O,PQSMLRMVGMJALV-UHFFFAOYSA-N
-3024C9BE04AC9141_7DF79746F66DD506_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(N(CC)C)C=C2)=O,FDZWMTSRJYNDPE-LBPRGKRZSA-N
-30E8496D82604285_DA553AF7249A577C_6035_UN,O([C@@H]1CC[C@H]1[S](=O)(=O)Cl)C3=C2C=CC=CC2=NC(=C3)C4=CC=CC=C4,FZMPYUWMJDMFFW-IEBWSBKVSA-N
-32B4ABBE27F42867_1592A95458E27C5C_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CN(CCC)C)=O,RLPIAXIUSBVFCL-UHFFFAOYSA-N
-35321ED92B71801E_CEA1CA926F9B96BD_7019_UN,CC3(C=CCC1=CC=C(SC)C=C1)CN(C2CC2)C3=O,OWSHOHHDQZYLJN-UHFFFAOYSA-N
-3550F2D6D9210F6F_60A0714EAF478623_6029_DP,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,XFBNKQHURMYICS-UHFFFAOYSA-N
-37CEDA0E2628A81D_0D81E97906B6DD35_6038_DP,CCCC(NC(C1CC(C(C)=O)CN1)=O)C(=O)N(C)C,RKDATJILHFHPSO-UHFFFAOYSA-N
-381DA2339C072950_78C89F7D5341DA6C_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,RUWOWNHEJNXKNJ-UHFFFAOYSA-N
-38F28FE8FD9D91B3_D604667E0C1A6D3B_6038_UN,CCN1CCN(CC1)C(=O)CNC([C@H](C2=CC=C(CC(C)C)C=C2)C)=O,CDXZBUZIQLEZDF-KRWDZBQOSA-N
-39C96190F69C5980_2485B4DEE3C39956_6041_UN,CCC(=O)C1=CC(=C[NH]1)NCC2=C(N(C)C)[N](N=C2C)C,IKGITJXLNYBVCY-UHFFFAOYSA-N
-3A230E57CF71BE28_557F639CBE2618DC_6035_UN,O(C1CC[S](=O)CC1)C2=CC=C(C(C#CC)(C)C)C=C2,REJMTCWMSVENCU-UHFFFAOYSA-N
-3CD5D9C1D1FD175A_3A70D30244BFD896_6038_UN,CC(CNC(C1=C(CC(OC)=O)OC=C1)=O)CN(C)C,ARTLWFINZWTWQA-UHFFFAOYSA-N
-3E30D17920F2169C_CC27929686C73F47_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=C(C=C3)F)[S](=O)(=O)F,AJTZXOJTARGXRD-UHFFFAOYSA-N
-3F123C31FA12205F_A790696F05E095DF_6028_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)OC)(=O)=O,LGNFERYOXIRGLS-UHFFFAOYSA-N
-3FACDA31A33ABA7D_E166554AEF95C840_6038_UN,CCCC(NC(C1=CC=C(C(C)=O)[NH]1)=O)C(=O)N(C)C,APYBTOFCVCKIKL-UHFFFAOYSA-N
-3FE5C77ABB456D84_2ECACF1070A6269B_6038_DP,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CCCO)=O,RJKIEXLRBAMFNJ-UHFFFAOYSA-N
-40385C12A21F97F7_AB1C8E30DEC314D8_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CCC4=C(C=C(C=C4)[N](=O)=O)Br,IDJYJMILUPQTTD-UHFFFAOYSA-N
-4048BF2B25452F24_1AEECEDF90856000_6041_UN,O=[N](=O)C1=NC=CC(=C1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,SMKPVVGEJNEORV-UHFFFAOYSA-N
-409E63382451B2CD_510C580F0A36248F_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CN(CC)C)=O,CXVOTNQQBYBPHM-UHFFFAOYSA-N
-41B31B8693232688_DF693C92E75C7383_6038_UN,CCC(OC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2)CN(C)C,ZQBZBYBBQQGQDZ-UHFFFAOYSA-N
-42716FF53E3C65BE_02C4A1DD5166874C_6038_UN,N(C1CC(N(C1)O)=O)C(C2=C(C)[N](N=C2)C3=C(C=CC=C3)F)=O,OPAOJPRGWRBCTA-UHFFFAOYSA-N
-42958C84936BE4FF_1D222F323C15BE87_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C(N=CN=C2)C3CC3,NEDPQAPGLZDVPE-UHFFFAOYSA-N
-4317F19D84014255_185EA0D522D3663F_6038_DP,CC(NC(C(C(CC)C)NC)=O)C1=CC(=CC=C1)N2CCCC2=O,RKLIWZIMEUXQIR-UHFFFAOYSA-N
-450095C28D97C832_F00D949B19D602A2_6041_UN,CC1=C(C(=NC=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F)[S](=O)O,CKPYFPAVKQGGCD-NSHDSACASA-N
-4520AD7F5CE31578_2829E6F5C1A618C1_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC(=CC=C3)I)(=O)=O,WFCKBSNOSQXQSQ-UHFFFAOYSA-N
-456ACD3172BD02E3_D3FEFCB746E12FA3_6026_UN,CCC(C)(C)C1=CC=C(C=C1)[S](=O)(=O)NCC2=CCN(C)CC2,XHOATFOAHPAKRO-UHFFFAOYSA-N
-46D811785C503624_4BCD3054E29898BD_6039_UN,O(CC1=CC=C(C=C1)C[N]2C=CC3=C2C=C(C=C3)[N](=O)=O)CC4=CC=C([S](Cl)(=O)=O)C=C4,DOCJHTVXTFYEPZ-UHFFFAOYSA-N
-49DC22A8994D9562_A5130194BC4B36B8_6041_DP,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCC(C(NN)=O)(C)C,PRUVSNKIMZNWID-UHFFFAOYSA-N
-4A51C33B1CA5B342_0449899F78F5412C_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CCC(CC(C)C)N,OAJWWVTYFFBRKQ-UHFFFAOYSA-N
-4AD68DC00BBCD1FF_64E956E2CAAADFB8_6003_UN,CC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)CCC3,CPHOIAKTQLINRB-UHFFFAOYSA-N
-4B245365406B512F_B6285B684856DA75_6041_DP,CC(C)C1=C(N=C(N=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)N4CCNCC4,NZHYGCDQOWRISJ-KRWDZBQOSA-N
-4BFBE2E52110FFD4_B2C612EA76F6A0C8_6041_UN,CC1=C(C(=NC=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)[S](=O)O,ZBKPXTHNGSRCKW-UHFFFAOYSA-N
-4C8558F5EBE0DD59_3DC9A904940FE469_6029_UN,N(CC1(CCC1)C2CC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,KYPLAHWJOBMMGA-UHFFFAOYSA-N
-4E06786C9D18C932_749C6E0A49924E88_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,BFMCHYHHAGVMOA-UHFFFAOYSA-N
-4E12A2ACE1039A5E_DF5EDA76335634ED_6038_UN,N(C1C2=C([S](CC1)(=N)=O)C=CC(=C2)F)C(C3ON=C(C(C)C)C3)=O,ADABMJBJSGPTLL-UHFFFAOYSA-N
-4F108876652D1904_097442D68A2A3453_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,UEGWCNSYZVYQNG-UHFFFAOYSA-N
-4F391894648E5AE6_DBF1E5A34541E2BB_6005_UN,C[P](=O)(C)C1=C(C=CC=C1)C3=C2OCCCC2=CC=C3,KFBXMZCXXUSWAY-UHFFFAOYSA-N
-56D8C5FCD89BAF0A_D207D9E9B427B60D_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(OCC)C=C3)(=O)=O)C,QXXJXONJVNWNGR-UHFFFAOYSA-N
-576145577149605B_10CE5CCCA73D5ABB_6041_UN,CN(C)C1=C(C(=NC=N1)N[C@H]3C2=CC=CC(=C2OCC3)C)[N](=O)=O,NDVHZQULZJVPRL-GFCCVEGCSA-N
-5BEFE269FDF4AD2B_EE4D39028DD320C3_6038_UN,CC(NC([C@H](C(C)C)N(C)C)=O)CCN1C(OCC1)=O,RMSMQXCGEXNKQD-KIYNQFGBSA-N
-5C224868E079966B_31A078A038E25EB2_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)I)(=O)=O,MXHXJUJHQATIGX-UHFFFAOYSA-N
-5C96EDF41388C8D4_E30A3DD1E59DC312_7015_UN,N(CCC2CCN(CC1=CC=CC=C1)CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,UMFLBUVIDHPFEM-UHFFFAOYSA-N
-5D2D4F972415AD6A_E78BF7C6481E82EA_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=C(CCC(C)C)C=C3,IXRBIQSYBXBJPE-UHFFFAOYSA-N
-5D6FE352D52B5FBE_5517D3791D805C6E_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(C(C)(C)O)C=C3)Cl)(=O)=O,CMECYZRZSNZEKH-UHFFFAOYSA-N
-5DE4603330A74BBF_BB42893ED3371E51_6003_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C2=CC=C(C=C2)C(=O)C3CC3,VQPOINOAUHKUPF-UHFFFAOYSA-N
-60E8C1A071DDE8F7_A29AA1E80C3672FC_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NC(CC(C)C)C(=O)N(C)C,UXEYWUFIPPRNDD-UHFFFAOYSA-N
-6124A66088D40648_0256F4C8715AFB35_6038_UN,N(C1=C(C=CC=C1)[N]2N=CC=N2)C(C3N(C)CSC3)=O,RTDKCNZOUJCOES-UHFFFAOYSA-N
-61C4DA59C5D565B4_B3A0A74CF8D1AF49_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3(CC)CNC3)=O,YEVAFCKHTYTKKB-UHFFFAOYSA-N
-642C3B3832A368CE_1FDC62819392E412_6041_UN,COC2=C1N=CN=C(C1=CC=C2)N[C@@H](C(C)C)C(=O)N(C)C,PKGXXVJTZTUUTI-ZDUSSCGKSA-N
-6441E696BCA248AB_5746BBD570807CEB_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CC)C)=O,RTPOKUFSPXRSAY-UHFFFAOYSA-N
-653AE3D034D13721_FF4448C4C35E4A6C_6041_UN,C2(=C1N=CC=CC1=NC=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,YKUARNMYQZJNPO-JQWIXIFHSA-N
-6585A75A13E1117B_C62EA0C90A81958C_6039_UN,O(CCN1C(=O)CNC1=O)CC(C2=CC=C(CCNC(C)=O)S2)=O,PHAPQSSCNLLHJG-UHFFFAOYSA-N
-6781A14D772E7CEB_0438FF9E0942B4B5_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4=CC=C(C=C4)Br)(=O)=O,UMRVTZDIAKJJCC-UHFFFAOYSA-N
-67C679D607E3EA07_91EACA7C1E52E862_6003_UN,CN2CC(OC1=CC=C([N](=O)=O)C(=C1)OC(F)F)CNC2=O,VUNJCNKCLFXGLG-UHFFFAOYSA-N
-68528954028FB55E_D068E5735E830236_6028_UN,N(CCCC1CCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,KWMPDYANLXEIFM-UHFFFAOYSA-N
-68EBB744E0455A9E_79265B1CDD688AD5_6026_DP,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=CC=C(CO)C=C3,LLNHQINYIASMTN-UHFFFAOYSA-N
-69899F28A23C3D3A_804CD315C5A7FB0B_6029_UN,FC1=CC=C(C=C1)C2=CCN(C2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,DHRRBUXAVFWCEE-UHFFFAOYSA-N
-6B40FEA221D6A866_FC9D1E836D4A5724_6038_UN,COC1=CC(=CC=C1)N2CC(NC(CC(CC)CN(C)C)=O)CC2=O,XCXMSNPIOWHBMR-UHFFFAOYSA-N
-6B51827705187E79_64B492EB77877535_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C=C2)OC)OCC,KVDBKTHHEXTNGJ-UHFFFAOYSA-N
-6F35AD60333D26BD_9DC8412202052EA9_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CC)C#N,UKQBACIIVLODTL-JTQLQIEISA-N
-70C579BD8913A534_94324ED62E2D671E_6041_DP,CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)NC3=C(CO)C=CC=C3,ZHOCDHSUDDTMIN-UHFFFAOYSA-N
-718DED2C80081597_B1F67273BD3273E8_6038_UN,CCOC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=O)C2)OC,AIVVTPCDKPIDMK-UHFFFAOYSA-N
-74B0CC7738F2E0E2_D93C4AFAA7678791_6029_UN,C=C1CN(CCC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,TZZAQRCAMWPXMF-UHFFFAOYSA-N
-766FF53409FA2F51_B470D545882B8E51_6029_UN,N([C@@H]1CC[C@H](CC1)CF)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,MMKCHBAVPBTCPE-MQMHXKEQSA-N
-771119A260FA40B6_AC63CF9D5A093556_6041_UN,COC1=CC=C(C=C1)C2=NC(=NC=C2)N[C@@H]3C4=C([S](CC3)(=O)=O)C=CC=C4,KYZCTDMQTUTFAY-SFHVURJKSA-N
-776B369B64CE0A15_FDD0228DD8E41FE6_6029_UN,IC2=C1C=CC=NC1=N[N]2[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,QSKFTPFUQYKEEQ-UHFFFAOYSA-N
-77F2B8DEA444C63F_132B1AF65BF14213_6003_UN,CC2=C(COC1=CC=C([S](C(C)C)(=O)=O)C=C1)CCCC2,QWGUVNPRASYOCG-UHFFFAOYSA-N
-798CE56A0909304D_B3A924DAC0C7AD77_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2=C(C=CC=C2)C3=NN=N[N]3C4CC4)[NH]5,TWFAPSKGXGCDOY-UHFFFAOYSA-N
-7B4E999DA9927CAA_8FC1C760058F3856_6038_UN,CC(NC(C(N(C)C)=O)=O)C(=O)NNC(=O)C1=CC=CC=C1,YCVPPFWXCLVVRR-UHFFFAOYSA-N
-7DD661930D0482F0_8CCD73A537E77AB6_6041_UN,CCOC(=O)C1=CN=C([NH]1)N[C@@H](C(C)C)C(=O)N(C)C,JYPCJFTVGCAFMA-JTQLQIEISA-N
-807D480343FD9CE5_1B2B116ED348A020_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3F)(=O)=O,CBPIMWWTZGBFTM-UHFFFAOYSA-N
-808B3BFF1B03DC54_B9319AB74E669364_6038_UN,COC2=C1C(=C[NH]C1=CC=C2)CCNC(C3=CC=CC(N3C)=O)=O,KZJVYBQUUDPEPH-UHFFFAOYSA-N
-82A19308EB2163E9_D705ED0991557CC8_6038_DP,CN(C)C(=O)C1=C(C=C(C=C1)NC(C2(CC)CNC2)=O)C,XWHITFAKFDHMGN-UHFFFAOYSA-N
-836FEB1B3A322AE7_AF07F38E6F6B8B82_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=C([S](C)=O)C=C2)=O,CESUVSWPQWRWDF-QHIQZGGMSA-N
-84413722FAF60A86_4D2F35EA27B08B84_6038_UN,CN1CCN(CC1)C(=O)C(NC(CCC(C(C)=O)(C)C)=O)CC2=CC=CC=C2,YGQHMPVZMSARNX-UHFFFAOYSA-N
-84F0BFCED725BB8D_61FF7301552CE8AE_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC=CC(=C3)F)(=O)=O,ODCCHFZQNNXLNX-UHFFFAOYSA-N
-85F357A7CCD86E20_4812F257A277B158_6041_UN,O=[N](=O)C1=C(C=CC=N1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,SPOSOSPYHPVDCN-UHFFFAOYSA-N
-86D798653B490077_EEE5A1122D477D1A_6003_UN,CC(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)C3CCC(=O)O3,VRLHOBWIEZANSI-UHFFFAOYSA-N
-870A1C84EAF23F3E_289CD8595FA8DE1A_6029_UN,CC1(N(CCC1)[S](C2=CC=C(C=CCO)C=C2)(=O)=O)CC3=CC=CC=C3,WRXFZOKJVGDLBS-UHFFFAOYSA-N
-8AAC25AD0431AD7B_75BF95BE4F4EB077_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2(CCC2)C3=CC(=CC=C3)C#N)[NH]4,LAHBOKUYHZWUPB-UHFFFAOYSA-N
-8B309D1CABEFBBED_7D20AAC4D859FEC4_6029_UN,N(C1(CCC1)C=C)[S](C2=CC=C(C(C)(C)O)C=C2)(=O)=O,PONDCUIGQROUGX-UHFFFAOYSA-N
-8E674BF759CF59E5_1310E84BA68640D4_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(=O)C3=CC=C(C=C3)NN4C(=O)CCC4=O,JXZQKTVCPXYYKM-KRWDZBQOSA-N
-8F4A53697EC10DBB_E02EAC202FEAD152_6029_UN,C1N(CC=C(C1)C2=CC=CC=C2)[S](C3=CC(=C(C=C3)C=C)C)(=O)=O,FVHPNXPVGJLDOH-UHFFFAOYSA-N
-8FC27535FC878589_56D5173CD8D6DB93_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(=O)C3=CC=C(C=C3)NN4C(=O)CCC4=O,NQIKFRNDURSPLM-SFHVURJKSA-N
-903A7336A930D343_524DEF6A20A9A047_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3(CCN(C(C)=O)C3)C)=O,FFTULFWOYTUYPF-UHFFFAOYSA-N
-90DBB7A088BCF46C_00F0D370111573A5_6038_UN,N(C1=C(C2=C(C=C1)N=CC=C2)C#N)C([C@H]3CC3(C)C)=O,ORVRMZSXVAUCAP-GFCCVEGCSA-N
-92D8B4766E4EB2B5_43E8E13F36F0CE73_6038_DP,CN(C)C1=C(C=C(C=C1)NC(CN2CCNCC2=O)=O)F,JVEAKQFGQALPDP-UHFFFAOYSA-N
-992997038FC383F1_D4CFAD9BBDA39087_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,HKPQSXKTBMNXSN-UHFFFAOYSA-N
-9B6618C8C4B066EB_F8CC7FCEE20D64D6_6029_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=NC=C(C=C3)I)(=O)=O,PEDHDXPHBBGPLL-UHFFFAOYSA-N
-9B79A5D4BCFEB000_DF5FE474BE538C65_6041_UN,CC1=C(C=NC(=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,QFNXRRYCSYGSEE-CYBMUJFWSA-N
-9BDBA74095075583_D9658AECEBE2E2E2_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(CC)CN(C)C)=O,ZRSRWVPHYFITTD-UHFFFAOYSA-N
-9C843A119928BBA4_3BB8C581B8B6F53B_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,VPBOWCSSHDESGB-UHFFFAOYSA-N
-9CFD9B59B8761B23_271528C67DD58D6E_6038_DP,CN(C)C(=O)CC1=CC(=CC=C1)NC(CN2CCNCC2=O)=O,FGXLNBYWEQKZCF-UHFFFAOYSA-N
-A060B8500EB253CA_D034B6FBE00412CD_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C=C(C)C)=O,VFMKHPMILQMEJZ-UHFFFAOYSA-N
-A1FACB7781E7320F_9D5B18E58551BD98_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,ZVAVBFOPBZJKLH-UHFFFAOYSA-N
-A36750078D38D434_FE1398354CCC5E86_6038_UN,CCC(CC)C(CNC(CC1=C(C)[NH]C=N1)=O)N(C)C,IVPZGEBNHBIFIU-UHFFFAOYSA-N
-A3AFC8F51AAEB892_6FD416EC13CF7891_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CCC(C(C)=O)(C)C)=O,PMMQGGNIRCPRFL-UHFFFAOYSA-N
-A41C95C9582AA285_D40C02CC2E85974D_6003_UN,CC(COC1=CC=C(C=C1C(OC)=O)[N](=O)=O)N2CCNC2=O,MQLPFISEOOKUJK-UHFFFAOYSA-N
-A4292A11634895FA_C2BD5977CF433B16_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(C=C5)CCCC6)(=O)=O,GABFTNLVYLNBJJ-UHFFFAOYSA-N
-A46C73919841523F_C3315F8F8DB9433C_6038_UN,N(C2=CC1=NSN=C1C=C2)C(C(NO)CC3=CC=CC=C3)=O,MIFWYOIKGXUDMF-UHFFFAOYSA-N
-A4C3B48573CB107B_2EA2A7A7F1D57B07_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCCC2=CC=C(C=C2)N3CCCC3,SMHPUPXXUJSGFZ-UHFFFAOYSA-N
-A6FE2FD5A394BAB4_5FAEBA4D787EDA03_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,HJDKSHGACFWSLQ-UHFFFAOYSA-N
-A91A4E3512C151B7_7DD490965F61E6D0_6027_UN,CC1(ON=C(C1)C2CN(C2)[S](C(O)CC3=CC=CC=C3)(=O)=O)C,VEWCCGCDUKNTTE-UHFFFAOYSA-N
-A91A4E3512C151B7_7DD490965F61E6D0_7015_UN,CC1(ON=C(C1)C2CN(C2)[S](C(O)CC3=CC=CC=C3)(=O)=O)C,VEWCCGCDUKNTTE-UHFFFAOYSA-N
-A91D1F6070BED159_3E73067E9AF7C91F_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3F)OC(F)F)(=O)=O,OFFFESZAAYHMDH-UHFFFAOYSA-N
-A94F5ED1329F8405_E28284062A9B5E43_6029_UN,N(C1(CCC1)C2CCC2)[S](C3=C(CC(C)(C)C)C=CC=C3)(=O)=O,KVVRZOZCBJYRAG-UHFFFAOYSA-N
-A9927528309E443F_A5AAB586EF299771_6038_UN,CC1=C(C=C(C=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=C(C=C3)Cl)Cl)CC4)C,AMLILKWUMODBAA-UHFFFAOYSA-N
-A9D45B342A6C7864_BE7F4C248A6AEFD8_6041_UN,NC(=O)NC1=C(C=C(C=C1)NC[C@@H]2OC(OC2)=O)C(=O)O,YZCOJRNVKRGYRA-ZETCQYMHSA-N
-AAA8F51836B26E89_EF8B8EEBE589D147_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,DTDMMEIFHIIYRZ-UHFFFAOYSA-N
-AB8D056059409D28_7E8D47443B375D6E_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=C(SC)C=CC=C3)(=O)=O,ZSJJOCMYMYMSCV-UHFFFAOYSA-N
-ABFA09AEA3B400DE_A753C24CC1082DD0_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,HAHJTKFPFIZOGA-UHFFFAOYSA-N
-AC3A89AB541792B5_BC5E26D07EAEB22C_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(CCC3(C)N=N3)=O,ANWFFTIKIZFJDK-UHFFFAOYSA-N
-AE1D60C348762188_4BEC50CEFB5C434F_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)NC3CCCC2=C(C=CC=C2)C3,ZDDUOEBNWIKLMZ-UHFFFAOYSA-N
-AE31694579DC4E05_A8A84B5FC21FCCBE_6038_DP,CN(C)C(=O)C1=CC(=C(C=C1)C)NC(C2CN(C)C(CN2)=O)=O,POGHMEBCHZNUKS-UHFFFAOYSA-N
-AF018A8C8AF5C487_BEB38AAADFED5E15_6041_UN,O=[N](=O)C1=CN=C([NH]1)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,PFEUNPHQWVBZEA-UHFFFAOYSA-N
-B0A2E30A6921DC25_EA6AC0C50737B949_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(C3=C(C=CC=C3)Cl)[N]4C5CCCC5)(=O)=O,SYSQVTYEBINKHI-UHFFFAOYSA-N
-B0B223AEC0D8B1D1_AC865585F367BDF5_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC(OC)=O)C=C(C=C3)Cl)(=O)=O,BEAAWDPIBDIRJN-UHFFFAOYSA-N
-B0DBFC4414B26DBB_C38303824F801AB3_7019_UN,C(C(=O)N1CCNCC1)=CC2=C(C=CC(=C2F)CC)F,CUYHLDZBVXXIPD-UHFFFAOYSA-N
-B1F4C3A381603F52_8CBFE1F78A259727_6029_UN,N(CCC1=CCCCC1)[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,DCOANCRVEUMGHN-UHFFFAOYSA-N
-B36385F09F916524_515309FEF213F33A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C6=C(C=C5)CCC6)(=O)=O,SQLJEFJJEMZUDJ-UHFFFAOYSA-N
-B82DD23B207C4A0D_24ADA7D88CAD43AF_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[N](=O)=O)C(=O)C2=NNC(=O)CC2,UVCRGYMYUIKJPS-UHFFFAOYSA-N
-BC0B75C64CD474F7_F3AC4A204AE8189F_6039_UN,O(C1=C(C=CC(=C1F)F)[S](=O)(=O)Cl)CC2=C(C=CC=C2)C3CC3,HAKRIEOHABRZLW-UHFFFAOYSA-N
-BC8D561C4E11F3B8_57351AA496C6B863_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)C3=CCCC4=C3C(=NO4)C,BQENVKXCWTVCLY-UHFFFAOYSA-N
-BDC3CBE76B1B7D08_666D2F4E7A69B21C_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=N[N](C)C(=C2)C3CC3)=O,HLUCXVLWGQOTCF-UHFFFAOYSA-N
-BDC60DF1720185F6_E931BD6347E73669_6038_UN,CC1=C(C=CC(=C1)NC(CCCN(C)C(=O)C)=O)N2CCCC2=O,LIMUFYZRKAHMCM-UHFFFAOYSA-N
-C11FBF0E11BE6DB5_121FA89C24EAB791_6038_DP,CN(C)C(=O)CC1=C(C=CC=C1)NC(CN2CCNCC2=O)=O,UWBFOJJRXOZQJS-UHFFFAOYSA-N
-C1D628882C7E1BB4_B64CC28D3D772D79_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)[S](=O)(=O)N4CCCC4,ICXUCMHXCCRNQN-UHFFFAOYSA-N
-C209378EE61B9EC1_B61F0144EA77DEDE_6041_UN,CC2=NC1=C(C=N[N]1C(=C2)NC(C)CC3=C(C=C(C=C3)N(C)C)C)C#N,MCMRCPYUDLGKKJ-UHFFFAOYSA-N
-C3F316CF18C9966C_B72A3176B5F20219_6031_DP,N3CC(=C(F)C(=O)OCC(C)(C)N2C(=O)C1=C(C=CC=C1)C2=O)C3,ZTNRPOMISOZNCM-UHFFFAOYSA-N
-C4D7A0FC9D29E5B5_A2B022AFD984E85F_6026_UN,CCC1=CC(=CC=C1)[S](=O)(=O)NC2CCC(OC)CC2,QMOJECWIZKOWOM-UHFFFAOYSA-N
-C74DB6EBBF85C809_6920484FCE7924E7_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC5=CC=C([S](C4=CC=C(C)C=C4)(=O)=O)C=C5,SVMOBYBVUJKRNY-UHFFFAOYSA-N
-C92684FE7FE92BD2_0E879819CBD52641_6038_UN,CN1CCN(CC1)C(=O)C2=C(C=CC=C2)NC(C3(C(CC)=O)CC3)=O,JVXOEPCNFXVUQK-UHFFFAOYSA-N
-CB36207680CA04B1_4DD0401C66271B96_6038_UN,N(CCOCCN1C(C=CC1=O)=O)C(C2(C(N(C(C)C)C)=O)CC2)=O,FJJKFXHLBLKKPE-UHFFFAOYSA-N
-CBEF0879EDC8F0BA_3EB7E6D5F604959C_6029_UN,C1CC(CN1[S](C2=CC=C(C=CCCBr)C=C2)(=O)=O)C3=CC=CC=C3,HNBXTRDUHBCLKF-UHFFFAOYSA-N
-CD1650D37CD9935B_6362ED626F63F2FA_6029_UN,N(CCC1CCC1)[S](C2=CC=C(C(CC)(C)C)C=C2)(=O)=O,GVEYZNYFWSDLJK-UHFFFAOYSA-N
-CD58D707B4061BA8_DAF35862409C2376_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(S5)N6CCCCC6)(=O)=O,NIVJSPUVLAWYCT-UHFFFAOYSA-N
-CDEA58ADDA7FEE26_1FEB1B17D4779E83_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,UUNZMIGYEVUDMT-UHFFFAOYSA-N
-CFC8D6B9B52C9B13_A6F183442D552832_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(Cl)C=C(N=C5)C6CC6)(=O)=O,MOXIXKNUIMXGLX-UHFFFAOYSA-N
-D0549B4AC6E5B247_63BE54E85E66A4E6_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(CC)C)=O,IJWFBXDFJLSBPN-UHFFFAOYSA-N
-D0C44414EF196726_F3A5556A22881462_6038_UN,CC(C)C(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)C,YSCOXXGZWFTMOE-UHFFFAOYSA-N
-D4BE5C05827908B2_471C500E3D801F58_6041_UN,C[N]1C(=NC2=C1C=CC=C2)NCC3=NN=C(C(C)C)[N]3C,NOZVVEHJRVXPBS-UHFFFAOYSA-N
-D4E7D7D08F73588D_B5FE75CD876C28D3_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)NC2(C)CCC(F)(F)CC2,DHJQTDMMOWKXQA-UHFFFAOYSA-N
-D663F6D665C47C2D_23238A1D15C974BC_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NCCN2CCN=C2CC)F,GGETWJIBUFTMGT-UHFFFAOYSA-N
-D6FA7E7732D50D27_4E220926EFEB5F47_6035_UN,O(C2CCC1=C(C=CC=C1)C2)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,FELSWTZDGNRCOU-UHFFFAOYSA-N
-D72120FE72E0E817_23BAADD5E1E72A10_6029_UN,CCCOC(=O)C1=NN(CC1)[S](C2=CC=CC(=C2)[P](C)(=O)C)(=O)=O,CDIFIRWHCGKKME-UHFFFAOYSA-N
-D72120FE72E0E817_450B770A8CB172D7_6027_UN,CCCOC(=O)C1=NN(CC1)[S](C2=CC=CC(=C2)[P](C)(=O)C)(=O)=O,CDIFIRWHCGKKME-UHFFFAOYSA-N
-D8F574FDF75A4DD4_E9FA0F9ACF85FD62_6038_UN,CC1=C(C=C(C=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=C(C=C3)F)F)CC4)C,XQNOJXPWWNALHM-UHFFFAOYSA-N
-D999316179FCA2A1_194EBA141B673951_6038_UN,CC1=C(C=CC=C1NC(CN(CC)C)=O)N2C(=O)CCC2=O,PEZHDXXKIWAKES-UHFFFAOYSA-N
-DA0BCA5D99603571_5E38A296E00697EB_6041_UN,CC3=CC1=C(C=C(C=C1)NCC2=NN=C(C(C)C)[N]2C)[NH]3,HPTAFAAMEZKTOX-UHFFFAOYSA-N
-DADC60E65B2CE8FC_F609D06E947D30D0_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,QHRSJWVDRRTDEQ-UHFFFAOYSA-N
-DAFBE922ABD36024_2F1EC8A94C3C3A22_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNC(=O)N2)CC[N+](C)(C)C,NFVQZMNARWNBPO-UHFFFAOYSA-O
-DBE28F7782423261_C3CF3BF4A39358A1_6029_UN,N(C1=C(C=C(C(=C1)Cl)F)[N](=O)=O)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,AUJLOGMCNWMTJL-UHFFFAOYSA-N
-DCCEBC49CAE62F60_8BE802D6C9E415C1_7005_UN,[NH]2C1=CC=C(C=C1N=C2C[N]4C3=C(CN(C(C)C)CC3)C5=C4C=CC=C5)[S](=O)(=O)N6CCCC6,CRLJUBJGPZKITK-UHFFFAOYSA-N
-DF0328A6A2EFDCF6_3AE9114565513D73_6038_UN,CCOC(=O)C(NC(C#CC(N(C)C)=O)=O)CC1=CSC=C1,NWGCKOZLBDHPLC-UHFFFAOYSA-N
-E05D56FA409F0DF5_2C4213A6491E0BCF_6028_UN,N(C1(CCC1)C2=CC=C(C=C2)C#N)[S](C3=CC=CC(=C3)F)(=O)=O,YBFZBRVCFDVJCI-UHFFFAOYSA-N
-E1FD99A1280AD12B_221EE08E2EA3CE4A_6041_UN,CC1=C(C(=NC=C1)N[C@H]2C3=C(OCC2)C(=CC(=C3)F)F)[S](=O)O,IHWRMUBGVMQFCX-GFCCVEGCSA-N
-E27394D0751301BE_4718E13AB62A09E4_6038_UN,CC1=CC(=C(C=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=C(C=C3)F)F)CC4)C,HZGHZDPRFPFSHN-UHFFFAOYSA-N
-E2939A9B215689E3_D4C7C038EC84C183_6028_UN,N(C1(CCC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(C=C3)Cl)(=O)=O,YFTIWIASMMVUFZ-UHFFFAOYSA-N
-E36F7068590AA882_469DF56BCD047F18_6038_DP,CN(C)C1=C(C(=CC=C1)NC(C2(CC(C)=O)CCNC2)=O)C,QGTUKDJUJVSVHC-UHFFFAOYSA-N
-E3A2447031061B53_9354F739E9F7BEA7_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NCCC4=CC=C([S](N3C(C)CCCC3)(=O)=O)C=C4,CKIILSDHFRRJKG-UHFFFAOYSA-N
-E50FAA7711F9420B_6FFEB506F1B32787_6041_UN,O=[N](=O)C1=CN=C(C=C1)NC2=C(CC(C)(C)CC2)C#N,YOYNDIFEDZROKE-UHFFFAOYSA-N
-E52AEEC7502BE91B_041B2C368B5CD1EF_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2=CC=C(C=C2)C3=NN=N[N]3C4CC4)[NH]5,QXTFTSUJFRSNPR-UHFFFAOYSA-N
-E8FE303373A5FC55_09125EBF99ADBABC_6026_UN,CC(C)(C)[Si](C)(C)[N]1C=CC2=C1N=CC(=C2)[S](=O)(=O)N4CCN(C3=NC=C(I)C=N3)CC4,KVUMCSMTQCISMD-UHFFFAOYSA-N
-EA7D9C8258A98B36_F23246ADE4301B5E_6035_UN,O(C2(CC1=C(C=CC=C1)Br)CCC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,SEORBVIAJUQSRH-UHFFFAOYSA-N
-EBD56A186559D685_C1DE286E42451820_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC4CCOC3=C(C=CC=C3)C4,QMNWEOGZDHZXSF-UHFFFAOYSA-N
-EE3657A1A617938E_D961999818AFDA7C_6029_DP,C1N(CC=C(C1)C2=C3C(=CN=C2)C=CC=C3)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,OJFFUZABXWQQGP-UHFFFAOYSA-N
-EEA0691A74114B38_2612F0D3DD8B48EC_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(N=CS5)C6CC6)(=O)=O,NGZCQIAKWZJCHT-UHFFFAOYSA-N
-EF0C073278AA608E_AF04445EDBEDA99B_6029_DP,ON(CC1=CC(=CC(=C1)Cl)Cl)[S](C3=CN=C(N2CCCNCC2)C=N3)(=O)=O,PEHHIROZCRNXGM-UHFFFAOYSA-N
-F0316BEF646A8394_6255DDA141E149CC_6035_UN,CC(OC1=C(C(=C(C)C=C1)F)B(O)O)C2=CC(=CC=C2)[N]3C=NN=N3,BJMNXJZBOVONKW-UHFFFAOYSA-N
-F06D67FD0E1B0B70_55CB54DE4A5F5BDD_6003_DP,N1CC(=CC1=O)OC2=CC=C(CC(O)=O)C=C2[N](=O)=O,IIFRPNCWTGAAJJ-UHFFFAOYSA-N
-F0B60B793BAF924E_404D5E53EF469B4B_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)NC2CC(C)C3=C2C=CC=C3,ONXRBRUDVSTPIX-UHFFFAOYSA-N
-F0BBEA537D8E0901_F69C1F0DBBA0A693_6029_UN,N(C1CCC(CCC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,UNIRFJDAHXXPIM-FVWXCPNNSA-N
-F20E00295816FBAD_41D365082CB6B295_2875_DP,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCC(N)CC4,XBFJVWWSCFWPEP-UHFFFAOYSA-N
-F20E00295816FBAD_A105DCC16B2BA17F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CN4CCC(N)CC4,XBFJVWWSCFWPEP-UHFFFAOYSA-N
-F2A18AB10FE191E4_C9792BA4A8D60242_6038_DP,CN(C)C(=O)C1=C(C=CC=C1)NC(C2CN(C)C(CN2)=O)=O,JRZIGUFWESEUBX-UHFFFAOYSA-N
-F3B66593B9C4C0C7_45C2029D0C72DAF3_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)N[C@@H](C3=C(SC)C=CC=C3)C,VGMRJBYUHQQOFH-OAHLLOKOSA-N
-F927E43F35D0F7AA_4CE44ED27C280BAE_6038_UN,CN(CCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CC=C(C)C,WQKLWJQJRBRDOX-UHFFFAOYSA-N
-F98D504024DFCDB8_27736294F46CF321_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=CC(=CC=C2)OC4=C3C=CC=CC3=NC=C4,XPTCYSVTYPLWNL-UHFFFAOYSA-N
-FA1F1D6D07E735EC_E641CB8472604EBE_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC(CCC)C#C,BSACDCPSPZKVJS-UHFFFAOYSA-N
-FCFD4B6DF01C691A_299B4D6ECB78D1A9_6003_UN,CC(C)(COC1=CC=C(C=C1C(OC)=O)[N](=O)=O)N2CCNC2=O,CMFJFMLTGNXZAR-UHFFFAOYSA-N
-rxn:1:63116:247,COC(=O)c1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(O)c3ccc(OC)c(B(O)O)c3)nn2)CC1=O,XTOZCXIDXYQBTP-UHFFFAOYSA-N
-rxn:1:64475:7899,O=C(c1cccc(F)c1)N1CCN(C(=O)c2cn(CC3CC(=O)N(c4cc(CO)ccc4Br)C3)nn2)CC1,MSTKQNIEHHZZKT-UHFFFAOYSA-N
-rxn:2:115504:148294,CN1CCN(c2cc3c(cc2NC(c2cccc(S(C)(=O)=O)c2)C(C)(C)C)OCO3)CC1,IVGZAECXWYETER-UHFFFAOYSA-N
-rxn:2:135607:166005,CSc1ccc(C(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)N2CCCC2)cc1,WXSXWCRJJANAKA-UHFFFAOYSA-N
-0184EFA12736A6DA_DDCE7E4F86F44A92_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC#C[Si](C)(C)C,ZROVLJRMGUHQSK-UHFFFAOYSA-N
-019648BD665C6C54_274FE1AD41D095FF_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C[N](N=C5)C6CC6)(=O)=O,LYQPLYPAUPPKOX-UHFFFAOYSA-N
-039AE14FC39E68A6_E6CECF77A6A0E519_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C([S](CC)(=O)=O)C=CC=C4,INHNDWJUIHPAEX-UHFFFAOYSA-N
-04A985550CDCFD27_775B52E512B69A03_6029_UN,N(N3C(=O)C2=C1C(=CC=C(C1=CC=C2)[N](=O)=O)C3=O)[S](C5=CN=C(N4CCN(C)CCC4)C=C5)(=O)=O,WJGFGXUBLSGSAF-UHFFFAOYSA-N
-058DDB6648063FAD_5049FEA892A6C2F9_6034_UN,O=C1N(C(CNC1)=O)CCC2=C(OCC)C=C(C=C2)Br,OWCMICPWYROEPQ-UHFFFAOYSA-N
-0830D8449617EBE3_ECC07581C6050CED_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=C(F)C=CC=C2F)(=O)=O,MFIBGUQYHBWVQL-UHFFFAOYSA-N
-08724A96C8688427_1C12E1A1C9B21A4B_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC3=CC2=C(OC(C)C2C)C=C3,IFORPZNIJLHIRB-UHFFFAOYSA-N
-0876456FE0C15ED6_52C2451403EDCEBA_6039_UN,COC(=O)C[N]2C=C(CCOCC(NNC(C1=CC=C([N](=O)=O)C=C1)=O)=O)N=N2,IURPOKUACHPJSE-UHFFFAOYSA-N
-09BEE4B5AE649E2A_A91994CE6E914C96_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=C(C=NO)C=CC=C2)(=O)=O,VQWPOTNTZIENNQ-UHFFFAOYSA-N
-09E68D4C731A4F74_D07CFF9AF47FA41A_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C(C)N=C(N=C2)N3CCOCC3)=O,FRTHHEVKUAOJSW-UHFFFAOYSA-N
-0A799B1094AE08DA_821864C9C7A167F8_6029_UN,N(CC1OC(OC1)=O)[S](C2=CC(=C(C=C2)C#C)Cl)(=O)=O,JQTWKUNVLKDSLX-UHFFFAOYSA-N
-0A9C8507ABF1823C_D216A6BEBF0BBCDD_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C2=C(C=C(C=C2F)F)[S](=O)(=O)Cl,OYJVJECMJYPJGE-UHFFFAOYSA-N
-0B12AF46378126F8_D5CEF5F4630F7A27_6041_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN=C2NC(CCC)C#C,YVXXKTHIPINKEW-UHFFFAOYSA-N
-0B21E8866BA95DEC_5738A39CC857AE60_6038_UN,CC1=C(C=CC=C1NC(CCCCCN(C)C)=O)N2C(=O)CCC2=O,FUSCCGJVVAVNBO-UHFFFAOYSA-N
-0C30AA84115BD58F_91E38440E86358A1_6038_UN,O(C1=CC=C(C=C1)N2CCCCC2=O)C(C3=C(N[S](C)(=O)=O)C=CC=C3)=O,NZFMEXFGVYCHOU-UHFFFAOYSA-N
-0C9626EAC9B54F80_45589B6CF6F07AB3_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]2CCOC3=C2C=C(CC)C=C3,UBUUJYCXZJAMLD-CYBMUJFWSA-N
-0FD6C1AB0EA69430_70E3C4469A5AA4C1_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)N[C@H](CCC(OC)=O)C,JBUBELJMXGZRJO-JTQLQIEISA-N
-0FD76EB076BD6DBC_B393076934B14D1E_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)NC3=CN=C([Si](C)(C)C)C=C3,YVKAAZLRCULVEG-UHFFFAOYSA-N
-130455A8613E09DA_258DAF02AB169C54_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2SC)OC,ZLXANGKMXVNRJW-UHFFFAOYSA-N
-15AA6863BFCD9D51_7E9F49361EBF5C4D_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CC3C(ON=C3C)=O)=O,HAPAFYAYEPRVAE-UHFFFAOYSA-N
-1727EEC3A5C3F44A_8BB11D06119668FF_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C3=N[NH]C(=C3)C4=C[N](C)C=C4)=O,YAWARDZDFHUEQX-UHFFFAOYSA-N
-172D1E8E0BDA91BF_C29AD247301F88FA_6034_UN,CC2=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)N2CC(CCCCCCCC)N,KMJIBYOEVNRLKK-UHFFFAOYSA-N
-176314D9E6B9EB20_D6F3033F372C6990_6041_DP,CN(C)C1=CC=C(C=C1)NC2=C([N](N=C2C)C)C3CNC3,LUAMPXGKARAPOW-UHFFFAOYSA-N
-186EBACB11C0058A_70F7AF1CFCEE4DC9_6038_UN,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(CC3(COC)CC3)=O,OEZLDFRQKJXNOZ-UHFFFAOYSA-N
-1A5A4F4E2D1DFCA5_FCC39565188BF7FA_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@@H](CC)COC,FSSLFHCARHXYSA-JTQLQIEISA-N
-1C3605DCFBB5D6C5_77C6D3C1D6DD4D57_6029_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=CC(=C(F)C=C2)C=C)(=O)=O,AVNBZPDYFCMRKH-UHFFFAOYSA-N
-1CA1B679FF854459_51FDCF01DC2E6664_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C[Si](C)(C)C)=O,JBWDSSDNYPZDOJ-UHFFFAOYSA-N
-1FF1DF3516870F68_15C37BADEC2B0FC4_6038_UN,CC2=C(NC(C1=CCCC1(C)C)=O)C=N[N]2C[Si](C)(C)C,RTBWYQGNJNWNLE-UHFFFAOYSA-N
-22EB934A63BE7DC3_CFFCBB9205CEAFC3_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,YDJSQBDPDLVXFX-UHFFFAOYSA-N
-237B722584389E95_D60A5CD03B8BEFB0_6038_DP,CC1=C(C=CC=C1NC(CN2CCNCC2=O)=O)N3C(=O)CCC3=O,GIWBRKFIBBVOMR-UHFFFAOYSA-N
-242B1AB0AEE60226_3DC0ED893AD721C3_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)C(F)(F)F,IWBQEOBIRPOXRG-DZGCQCFKSA-N
-245FFF68DB0C58F9_1E513E340240A7D1_6038_UN,N(C1=CC(=O)NC(=O)C1)C(=O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)F,MBPZWMYKFUJHIV-UHFFFAOYSA-N
-24B2097F166468FE_4AC4D201E2DA29DE_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,SCIQIPDXSLFQQV-UHFFFAOYSA-N
-24D0E08ED5F5D0A8_5C832DC8D79AB7C5_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCCC#C[Si](C)(C)C)[NH]N=C2,JSFUWAJPQOWGSA-UHFFFAOYSA-N
-2544543106948B88_8197A53231E3A516_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=CC(=C(C)C=C3)[S](=O)(=O)F)=O,KVUCCQVYBVSAJA-UHFFFAOYSA-N
-2548889589F7B203_02D5804D04B614E2_2875_DP,O[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C3=CC=CC(=C3)[S](C)(=O)=O,IIKSJRBUKXCXBJ-XYPYZODXSA-N
-25A58AA52D7B7835_AAFE896FC7CC5F62_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(CC3=C[NH]C4=C(CC)C=CC=C34)=O,GIWJJXVZEGURDJ-UHFFFAOYSA-N
-2603D5437C60E544_C3D09F4A5540135C_6028_UN,N(CCC1=CC(=C(C=C1)Cl)Cl)[S](C2=CC(=CC=C2)Cl)(=O)=O,COKCKSRHKRNCRE-UHFFFAOYSA-N
-263EC067F7B9369D_C114F99135388CA9_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3CCCN3C4=NC=NC(=C4)Cl,FLHNMYWIIWOIOM-UHFFFAOYSA-N
-28E9D092BF74B2BA_1003DB8EED1C8286_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,YFISTLDKWRCGNU-UHFFFAOYSA-N
-2CB404172D12E798_5B31F71B0F01055A_6029_UN,N(CC(O)C1=CC(=CC=C1)O)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,HHBPYUYDYJOZCJ-UHFFFAOYSA-N
-2D49F8B7AEB51D71_F2FAC9C72BE32FDC_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC(CCC(C)(C)C)C3=NN=C[NH]3,SYWCAGBINFIMTP-UHFFFAOYSA-N
-2E0EF6F13B422F76_1319708ADAEAAA88_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)Cl)O)OC,ATGJMUOBFVOZAZ-UHFFFAOYSA-N
-339D5189EAA876D3_BF2E042A1FF462FE_6041_UN,C[P](=O)(C)C1=C(C=CC=C1)NC2CCC(C)C3=C2C=CC=C3,CJHJVAFWHRCBJR-UHFFFAOYSA-N
-33A9A8FFDE0A2E0E_69B7E03C69C4CF29_6041_UN,CC1=C(C(=CC=C1)CC#N)NCC2=NN=C(N(C)C)[NH]2,ACUWJRADJVSOCE-UHFFFAOYSA-N
-340F384946CCA66B_BBA46EBB0472DD3F_6041_UN,CN(C)C1=NC2=C(C(=N1)NCCCC(N(C)C)=O)C=CC=C2,ZYPBUBXDMORJTQ-UHFFFAOYSA-N
-3512282B1CDEBFF1_AFF7E0426B2A5071_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(C(C)(C)F)(C)F,WJKVXLWJKHMRPG-UHFFFAOYSA-N
-3709E93099E17793_A7E44F2FB61C0C1A_6029_UN,N(CC1(CC1)C#C)[S](C2=CC=CC(=C2)CC(C)C)(=O)=O,ITGAZECMXRYXBF-UHFFFAOYSA-N
-376FDD16BA670013_7DE644DC5B916B40_6034_UN,O=[N](=O)C1=CC(=CC=C1)C(=O)N(C(=O)CCl)CC2(CC)C(=O)NC(=O)NC2=O,PASTZHMXECVFNZ-UHFFFAOYSA-N
-37F6EFF5C663EB5F_7591C631EB1A073C_6035_UN,O(C2(CC1=CC=C(C=C1)F)CC2)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,JXUVTCVDDYWSSB-UHFFFAOYSA-N
-3AE266523257CEF4_B95938E9287A0EE9_6038_UN,O(C1=CC(=CC=C1)CCC=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,GMUMSABGAZDDAG-UHFFFAOYSA-N
-3B0176040E064BDB_69F1BFF1EA902335_6005_UN,CC1=N[NH]C(=C1C2=CC=C([Si](C)(C)C)C=C2)N3CCNCC3,YCUJNZKHLDCJIL-UHFFFAOYSA-N
-3C4FC81AE7CD4643_45772C8FBCE27E7A_6031_UN,OB(O)C1=CC(=C(C=C1)Cl)C(=O)OCCOC2=NN=C(C=C2)Cl,PLUDRNWQFVAPEG-UHFFFAOYSA-N
-3C94B17E275E731A_B934B1C2086C3123_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(CN3CCN(CC)C(C3=O)=O)=O,IDGAELBVJKVCJE-UHFFFAOYSA-N
-3EAB32F31A17AE30_E7710C42658DD8DE_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3=NN=C(N(C)C)[NH]3,PCJFVKYDRAPOJT-UHFFFAOYSA-N
-3EB8A4B1B573BB89_A8B82FAB9E3E0AA3_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)OC)O)OC,WXFNXGADXZQQBS-UHFFFAOYSA-N
-3F54A0C0FA6D033E_645457F0609EF2E0_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(COC1=CC=CC=C1)[N]2CC=C)(=O)=O,XUKDCWMZJFJBER-UHFFFAOYSA-N
-3F7082B1CD5A7B68_D86546347B79956B_6029_UN,N(CCC1=CC=C(C=C1)C#N)[S](C2=CC(=CC(=C2)CC#N)Cl)(=O)=O,MSRNYHYOVAWJOS-UHFFFAOYSA-N
-40F251539413CE27_EC715CECF17537A3_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Br)Br)[S](=O)(=O)Cl,YSVXHOMCDRNCKZ-UHFFFAOYSA-N
-4359DBF762F3140A_6B5033FB02E49455_6029_UN,N(N1C(CC1)=O)[S](C2=CC=C(C(C(OCC)=O)=O)S2)(=O)=O,PNLZGXHBJDFUQW-UHFFFAOYSA-N
-43CD3B6781EFA86B_9949E6C069B57CA7_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C3=CC(=CC(=C3)F)F,JYTUBQVWUWEKTB-UHFFFAOYSA-N
-445644985AC8DCB3_AF2316933ACD1F13_6038_UN,CC2=C(OC(CC(C)(C)CC(=O)C1=CC=CC=C1)=O)C(=O)CO2,JRXBYWJYVZQXFP-UHFFFAOYSA-N
-449D5B050B26628C_A7492A7B853831CF_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C=C(C=N2)NC3=C(CCC3(C)C)C#N,FJWADUVQTVWVLV-UHFFFAOYSA-N
-4CAC5793A4415459_17E11F930442382A_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=CC=C2)OC(F)(F)F)[S](=O)(=O)Cl,PXUHQIMHHIVYCZ-UHFFFAOYSA-N
-4CD21494040169A9_BE46D44715AFD888_6029_UN,CCOC(=O)C(N[S](C1=C([S](Cl)(=O)=O)OC=C1)(=O)=O)(CC=C)CC=C,OSZWTOJPYNWPKL-UHFFFAOYSA-N
-4CD688D04E04BC4D_4ECC55702935F677_6038_UN,O(C1=C(C=C(C=C1F)F)[S](=O)(=O)Cl)C(=O)C3=CC2=C(C=CC=C2)C3,UFERANPHBMDLMU-UHFFFAOYSA-N
-4D021FB3F7D24EBF_08210E9C8F78C7A6_6038_UN,CCCC(NC(C2=CC1=C(COB1O)C=C2)=O)C3=NC(=C[NH]3)C4=CC5=C(C=C4)OCO5,VFLCJWVTTVVYKW-UHFFFAOYSA-N
-4D5E2479A44E46B4_C6A1C8F0D6CBDD0F_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC[S](N4CCN(C3=CC=C(OC)C=C3)CC4)(=O)=O,YWBUNWHDTOXAAH-UHFFFAOYSA-N
-4D9A49A054438402_C7403666F1A76E89_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CSC(=N2)N3CCNCC3)=O,XYTSWWCZHBXZPA-UHFFFAOYSA-N
-4DB070503756C460_DB74045F41D96081_6038_UN,CCN(C)CCCCCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,NJUPKEQAESYXPM-UHFFFAOYSA-N
-5064BDE3D15023E5_34DEF62AB20395A4_6038_UN,CCC2=C(NC(C1(CCN(C)C)CC1)=O)C=N[N]2CC,KWJCRVLVIZTVLS-UHFFFAOYSA-N
-50898A86D8CE7D57_870629F16C90E7A8_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Cl)Cl)[S](=O)(=O)Cl,VJBLXXDFOOXLJE-UHFFFAOYSA-N
-51C7D4F27C7392B9_978920BAC53D3140_6038_UN,O(C2=C1C=C(C(=CC1=NC=C2)Cl)Br)C(C3=CC(=C(C=C3)N4CCOCC4)C)=O,LGVQMZTUJHYKQG-UHFFFAOYSA-N
-526669CD2D14FF3E_BB01172D50916697_6029_UN,N(C1=CC(=CC=C1)SC(F)(F)F)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,NMTHSQBIRASWOO-UHFFFAOYSA-N
-5459FAB9CCADC18A_CC7AF4AB8EFF6A38_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2(CCC2)C#C)C3=CC=CC=C3,JCCAUZXCORIAFS-UHFFFAOYSA-N
-560208FE8580DDB0_8F04C66712635819_6029_UN,N(CC1(CC1)C2=CC(=CC=C2)Cl)[S](C3=C(O)C(=CC=C3)F)(=O)=O,UCWPCVDMKASAGL-UHFFFAOYSA-N
-565263C526B6C5B4_E853FCC024784211_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@@H]2CCOC3=C2C=C(C)C=C3C,CBNPTZTZPBEAMV-CYBMUJFWSA-N
-57D1B23FD1B18077_BAB01C5567123439_6038_UN,CCC(NC(C1(CCN(C)C)CC1)=O)C2=C[N](N=C2)CC,CTMIUXUJZAQGHI-UHFFFAOYSA-N
-57F04F357771432E_A67D30FAEDD7FC0A_6038_UN,N(CCC1=CC=C(C=C1)[S](=O)(=O)F)C(=O)C(=CC2=CC(=CC=C2)F)F,YNIJKSBZXLMAQM-UHFFFAOYSA-N
-58EBF0681AC0733C_80D27DD767F37A16_6041_UN,FC1=C(C=CC(=C1)NC2C(N(C)C(CC2)=O)=O)N=C=O,UFHIXKFCPFRWFC-UHFFFAOYSA-N
-5C50D72871ADAF21_AF8605B1D5A650EE_6038_UN,CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)N3CCC3)N4C(=O)CCC4=O,JFZGYJKCFRLNHT-UHFFFAOYSA-N
-5CDAB26A18E9B49E_593677A9E9886295_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C3CN(C)C(CN3)=O)=O,KUQANKGXLMFRGY-UHFFFAOYSA-N
-640665423A56B86A_4C42D02F2043CF6F_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)F)Br)Cl,LMEOQAKJUWJAEP-UHFFFAOYSA-N
-64C541B68EB4F0C8_61CC0E4594EE2175_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C)=O,IGPYQMIACYSGTM-UHFFFAOYSA-N
-6659E0B2A479983D_18C574B28D50A86E_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=CC(=CC=C3)N4CCCC4=O,LNEPHEYBLJOQTJ-UHFFFAOYSA-N
-67C51B0025D9CD03_EC5FC838840C17C2_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCCCCCC(C)=O,XVDXVQYJSNTGCR-UHFFFAOYSA-N
-6BF6200237AD0742_A9759201274DC052_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]2CCOC3=C2C=C(C)C=C3C,RGTXAHSNSKVCND-CYBMUJFWSA-N
-6CB59018555C9C64_B50FCB503A5B1F99_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=C(O)C=CC=C2)(=O)=O,QTPKZSCMPZDLQI-UHFFFAOYSA-N
-6E417A932EF9168E_EA3F3E55D86EDEC8_6035_UN,O(CC2CCC1=C(C=CC=C1)CC2)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,MYKVFBVNYCSLHQ-UHFFFAOYSA-N
-6EBBCE93ABDED08B_046A5B624B5F40E2_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H]2CCOC3=C2C=C(C)C=C3C,RGTXAHSNSKVCND-ZDUSSCGKSA-N
-704A35869B4B9E03_F9093A34E97BC4BB_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)NCC2=CC=CC3=C2OC(C)(C)C3,AHDUJPKNSRYEDD-UHFFFAOYSA-N
-70C85E2F067E1425_A71A391ED6458FB2_6038_UN,CCOC(=O)C(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCOC,IEWLMWRULIEXOJ-UHFFFAOYSA-N
-719E7CE5908437E3_3D6BC5C375161C77_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,QETWGWSHDHTYIV-UHFFFAOYSA-N
-7320E83AB7F96E67_04134B2A94F44AAC_6038_UN,O(C2=C1C(CCC1=CC=C2)=O)C(C(OC)C3=CC=CC=C3)=O,SSUVUNUDWRUQBR-UHFFFAOYSA-N
-75D3935ED3A24648_5E0B8C6306C43146_6038_UN,N(CC1=CC(=CC=C1)N2C(CCCC2)=O)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,KKWNDBADXJUQPG-UHFFFAOYSA-N
-76939393DE3E25B5_CA1D0160BC3D4604_6029_UN,CC1(N=N1)C2CCN(CC2)[S](C4=CC3=C(OCC3(C)C)C=C4)(=O)=O,HYVDPPRGNPKDDH-UHFFFAOYSA-N
-7906BB783A819B9C_271E31D1E0B81472_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC(=NC(=C2)C3CC3)C)(=O)=O,FKMAENPZAYAXAM-UHFFFAOYSA-N
-7A8A65D9EBF6EEA2_6AC22FE079221D7A_6035_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,RIMSMNOEWVNJRT-UHFFFAOYSA-N
-7A948AD5D2890B9D_6AF64FA67ACD886E_6041_UN,C2(=C1C=CC=CC1=NC(=C2)C#N)NCCC3=CC=C(C=C3)[S](=O)(=O)F,VNWNKWNQTXPSRW-UHFFFAOYSA-N
-7AF864F14E60E804_2E090BF7F9AD2E06_6026_UN,FC1=C(C=CC(=C1)C[N]2C=C(C=N2)[S](=O)(=O)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C)Br,RQEGLJBBXAYOPA-UHFFFAOYSA-N
-7E67A382C1528DBD_713CA229AEA112FB_6038_UN,O(C1=C(C=CC=C1)C=C)C(=O)C2=CC(=C(C(=C2)F)Br)[S](=O)(=O)Cl,APMDZSCECVJPTA-UHFFFAOYSA-N
-7ED3B35C4D6A51E6_C04B920D06ADCE33_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCCC(C)(C)C#N)[NH]N=C2,GVENVHBYUAOUEJ-UHFFFAOYSA-N
-80120D466B8A3BC9_ED4965198EF52F3C_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=CC(=C2F)F)C(=O)CBr,UVEIJKKGUYSKEA-UHFFFAOYSA-N
-80C9FF1FD150D7CD_149C5D97E5CBAC06_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CC=C(C2=CN=CC(=C2)F)CC3)N4CCOC4=O,HZLYBDSCSICOIT-UHFFFAOYSA-N
-82633099D630BF78_DCC2AA07857D83B9_7019_UN,C(C(=O)N1CCNC1=O)=CC2=CC(=C(OC)C=C2C)OC,UNGBILVIWCGSCV-UHFFFAOYSA-N
-82C053AB0E6E73D4_E9195E63DA807F82_6038_UN,CC1=CC(=C(C=C1)C)SC(C2=C(C)N=C(S2)C3CC3)=O,OUDWQSKOALKRMZ-UHFFFAOYSA-N
-84C998E71FB943BF_F9E3B469E8B6CF50_6038_UN,N(CC1=CC=C(C=C1)N2CCCCC2=O)C(C4=CN=C([N]3C=CN=C3C)C=C4)=O,XIDHVUMJYYZPHE-UHFFFAOYSA-N
-859F7FACA20B9CCA_6F37726139F3F2D8_6038_UN,N(C2=C1OCCC(C1=CC=C2)=O)C(C3=C(N=C(C)N=C3)C4CC4)=O,RMGFVRCLEYXKGG-UHFFFAOYSA-N
-86D2ABD131E20931_787AAD522C378723_6038_UN,N(C1=CC(=C(C=C1)F)C#N)C(C3=C(N(C)C2=NC=N[N]2C3)C)=O,LDAIRRSLJNNGLT-UHFFFAOYSA-N
-874B7B600BFF6A52_D0DE24EF35363750_6038_UN,N(C1=C(C(=CC=C1)[N](=O)=O)[S](=O)(=O)N)C(CN2C(CN(C)C2=O)=O)=O,OAPSLYOFHAHOIO-UHFFFAOYSA-N
-8A32C29A319630C1_02C876E32ACF2ED8_6035_UN,CCC(OC2=CC=C(C1=C[N](CC)N=N1)C=C2)C[N](=O)=O,CEVLBHIITBEKJI-UHFFFAOYSA-N
-8A631BF5F7BE3CFB_65E779F6238ADFA4_6034_UN,CC1=C(C(N(C=C1)CC3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,JZZCGXNXEVOERT-UHFFFAOYSA-N
-8A9139B5F256FFAF_362C5C3B8426D0C5_6038_UN,N(CC1=CC=C(C=C1)N2C(CCC2)=O)C(C3=C(C)N=C(N=C3)C4=CC=CC=C4)=O,PQZCWLFQDCWZLR-UHFFFAOYSA-N
-8B1F98E88082BD09_7ED1DD026308FE63_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)N)C(CN2C(CN(C)C2=O)=O)=O,DJOCOPJJSRFFQE-UHFFFAOYSA-N
-8BEF908F860482AE_CF749D41137D3ECC_6041_UN,O=[N](=O)C1=CC=C(C=C1)C2=NOC(=N2)N[C@@H](CC)COC,GJFKJBFMCNYMDT-JTQLQIEISA-N
-8C0BDA8EDD6B720D_BC26584F1B4FEC0E_6038_UN,O(C1=CC=CC=CC1=O)C(CC2=CC(=C(C)C=C2F)F)=O,FWBRHGRLXMLNJG-UHFFFAOYSA-N
-8C9060D81BE81763_F1EF878821F70100_6006_UN,C1(=C(N=CN=C1)N2CCNCC2)C3=CC=C([Si](C)(C)C)C=C3,OJVSEMKCNZWUCQ-UHFFFAOYSA-N
-8D0693951CFD17FA_CB98E7B38148D80E_6026_UN,CCOC(=O)C1=CC=C(O1)[S](=O)(=O)N2CC(C(C)(C)F)C2,KKYSNYCBGUOXDQ-UHFFFAOYSA-N
-8F84534C09465665_4ACBD426C779BDF2_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(C4=CC=C(C[S](C)(=O)=O)C=C4)=O,QVTITIHLZUJQBV-UHFFFAOYSA-N
-906126603DF039C3_4D12EED50FA0766C_6038_UN,N(C1=C(C=CC(=C1)N2C(=O)CCC2=O)F)C(CCCC[N+](C)(C)C)=O,FTYPBRMLDLSQDZ-UHFFFAOYSA-O
-93FB5A83F71BC5E3_249BF9E3A1A1764D_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC(CC)(CC)C#C,CBRXRANLRXTVRU-UHFFFAOYSA-N
-940F9C76FFD55DA2_C8FB2FE8C5F0554F_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C=CC3=C(C)N=C(C=C3)N)=O,KTZJYEDGASIOFF-UHFFFAOYSA-N
-9692953ACEFCA1F8_ECAB2F8C2A6F4CAB_6029_UN,FC1(CN(C1)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O)C#C,NVUDOCZVSLNGQT-UHFFFAOYSA-N
-96E1DE8FB4D9AFC8_5614102D588671B5_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]3[C@H](C2=CC(=C(C)C=C2)C)C3,WRVARJHFBDMGOL-DLBZAZTESA-N
-9778E926FD7ECE87_2D25C80E47A943E6_6038_UN,CC2=C(NC(C1(C(N)=O)CCC1)=O)C=N[N]2C[Si](C)(C)C,WADIZKBUIGVXLN-UHFFFAOYSA-N
-97ACF264FAE05E7C_F204F39BC702EC02_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCCCN3C(C(N(C)C3=O)=O)=O,FSATXIGQAWFFIL-UHFFFAOYSA-N
-98819E5F6528BB7D_EF638DFE3A330CB1_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(C=C3)N4CC(=O)CC4=O)(=O)=O,PTQNYGBTNSDVJR-UHFFFAOYSA-N
-A036BA7A15E9222B_8E6012B391DF4877_6038_UN,CCC#CCC(OC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CC,DLZUVXXCZMEKSO-UHFFFAOYSA-N
-A20D55084E74BFAC_81F9EC1A46A7A85B_6041_UN,C1(=CC=C(C=C1)C2=NC=CS2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,NHNHUYWGVUZKQA-UHFFFAOYSA-N
-A2214E5D352A0B30_540D891D3D163431_6029_DP,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,NFUQIHLWLOUAFC-UHFFFAOYSA-N
-A4D577B35BBF8C69_B74EC7D6A58173A5_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C=CC=C3Cl)Cl,RNCSAERYRKSJBM-BXUZGUMPSA-N
-A6810DE11705C2C9_8D831383F5743C38_6038_UN,O(C1CN(C1)C(=O)OC2=CC=CC=C2)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,YAFGXCYMEJXXNT-UHFFFAOYSA-N
-A6829345F5AB3019_C924F9C596A40487_6038_UN,N(CC1=NC(=NO1)C2=CN=CC=C2)C(CC3OB(O)C4=C3C=CC=C4)=O,FROWGKPMHZKQQG-UHFFFAOYSA-N
-A89C6826B15B7152_7A985719D5322033_6026_UN,C[P](=O)(C)C1=CC=C(C=C1)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl,JRNKYTNVJBOJOB-UHFFFAOYSA-N
-AB59F121A30ECA59_4BF4CA780DA2CA35_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=C(C(=C2)F)F)F)[S](=O)(=O)Cl,PBYSCQJKULWEMJ-UHFFFAOYSA-N
-AB82AFBCF38DEA14_0BC60CF7655D080D_6041_UN,CC1=CC2=C(C(=C1)C)OC(=N2)NCC3=NN=C(N(C)C)[NH]3,VCAAIWWXVULZDX-UHFFFAOYSA-N
-ACA06ECCB3F79892_9A80135993763DAD_6039_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)CCO[S](C(F)(F)F)(=O)=O,LYPPIPBCQVTUQB-UHFFFAOYSA-N
-AD02D60607E75415_EBF58697C75E9AE0_6029_UN,O=[N](=O)C=C1N(CCCS1)[S](C3=CC=C(C2=NC=CC(=N2)Cl)C=C3)(=O)=O,AERKLAALNCUUGR-UHFFFAOYSA-N
-AD9A186EBB5376E0_161BEB5AF9519A9A_6039_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC([S](F)(=O)=O)=C,LRGHAJOHWBPJHT-UHFFFAOYSA-N
-B0E8EC7C8B9ED792_2CB85DE2465EB0FA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=N[N]5C)(=O)=O,MAUCITGONSGNIX-UHFFFAOYSA-N
-B4C4D4E8D08750AB_CFCD1B37AE015CB9_6031_UN,CC[P](=O)(O)C(=CC(=O)OCCCN1CC(=O)NC1=O)C,XPHSCAHSHDAYKJ-UHFFFAOYSA-N
-B72C3ABCF3A712A7_4589E6BF25D879C1_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)NCC2C3=C(OC(C)(C2)C)C=CC=C3,RXYLQCMVTCQPPO-UHFFFAOYSA-N
-B87145817A93FE68_8C98F43B61D31F7E_6039_UN,COC1=CC(=CC(=C1)OCC(=O)N2CCNC(=O)C2)OC,WGIRXWUSLNEPGV-UHFFFAOYSA-N
-BAD8CFF1E3BC938C_D5696787C799D6F8_6029_UN,O=[N](=O)C1=NC=C(C=C1)N2CCN(CC2)[S](C3=C(B(O)O)C=CC=N3)(=O)=O,AZPISEPCVFMYPV-UHFFFAOYSA-N
-BB6C218F2C0911D7_88D7DD39A373C024_6029_UN,CCC=C1CN(C1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,PFCXJZWPJWHYPN-UHFFFAOYSA-N
-BC715B9E03CC79E8_4C006B89D21DCC98_6038_UN,N(CC1=CC(=CC=C1)N2C(CCCC2)=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,LWMSOBUWTUQLFO-UHFFFAOYSA-N
-BE6009DC9B42754F_053DF4EAFB727546_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4=CC=C(B(O)O)C=C4)=O,QWUONIHEYDGCJF-UHFFFAOYSA-N
-BEBC359EA6B24253_7B8BA0FF9A4E7FA1_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3=N[NH]C(=C3)C4(C)CC4)=O,VENAOBXQGPOQLW-UHFFFAOYSA-N
-BFF0F2C9582F3489_EBC73677EEBA1E29_6038_UN,CN(C)C2=NN=C(CNC(C(C)OC1=CC=C(C=C1)C#N)=O)[NH]2,RKRMORBDXJZBQT-UHFFFAOYSA-N
-C058739CA7AC55EA_32CB976BF4310793_6028_UN,C1C(CN1[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O)C5=NOCC5,UKUASCRIIUKRJO-UHFFFAOYSA-N
-C1117B7403C80CF2_DFCF06D3E9331476_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC3=C(CCC3(C)C)C#N,JVXRVKKOXSBYNH-UHFFFAOYSA-N
-C1ACC1D65CECE060_733DE827D4217428_6038_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C(C3=CC=C(N[S](C)(=O)=O)C=C3)=O,NDVCXTWJWHEZKO-UHFFFAOYSA-N
-C30A2BAB686F9DF8_897476C1EDD332C8_6041_UN,CCOC(=O)C1=NC(=NC(=C1)C(C)C)NC3=CC2=C(C(C)COB2O)C=C3,JOOCKFKIGHDMNX-UHFFFAOYSA-N
-C3F0B42A3B09CD8F_4C05FCEFB8C78A1D_6031_UN,OB(O)C1=CC(=C(C=C1)F)C(=O)OCCOC2=NN=C(C=C2)Cl,CTFTUJNVYYHFBS-UHFFFAOYSA-N
-C3FBD8801E6BCC02_1DCF391E6379D301_6034_UN,O=C1CN(CC(=O)N1CC(CCCC(C)=O)(C)C)C2=CC=CC=C2,VLBZZFBLFZMTEX-UHFFFAOYSA-N
-C56CC46E9B76FA2C_FDFC1760A54B49EA_6028_UN,N(CCC1=CC(=CC=C1)Br)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,WECRAVJOHSSRCD-UHFFFAOYSA-N
-C8FD4100F423A11A_E70FEC20CE9B4023_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCCN4CCN([S](C)(=O)=O)CC4,MRJIVDGINOSGNX-UHFFFAOYSA-N
-D16D8B2DDE4C975B_936631CC86E32264_6038_UN,CN(C)CCCCCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,BGHSAHIBPLWHKS-UHFFFAOYSA-N
-D18643E92D71D3C0_D49865DFBC9F7867_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3=CC=C(CCC(C)C)C=C3,KFELYEYXNFTUGW-UHFFFAOYSA-N
-D2216887701E407F_4FFF04A080E65D52_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C=CC=C3F)Cl,CNLNGIWWACMXTM-BXUZGUMPSA-N
-D2B16F57FBAB2099_D74A191E0BBB81D6_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC(C)(C)[S](=O)(=O)C,YROQFXYBRDPAHP-UHFFFAOYSA-N
-D453D0A6244D0166_95915CBC149231FE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C3=CC(=C(N2CCN(C(C)=O)CC2)C=C3)[N](=O)=O)=O,GHVINJOBNLWTFR-ZDUSSCGKSA-N
-D5802CE7A6D953F1_591AF567F8CE6B36_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,USEGBWAPUYZVOL-UHFFFAOYSA-N
-D6DFCE8A75F46DDC_B321CEECF69BD2FD_6038_UN,CC(=O)C3=C(OC(CC1=NN(C)C(C1)=O)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,XZBKVAAXVHQNLD-UHFFFAOYSA-N
-D7B76959DF359457_7389ECBEF6DB811F_6003_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C4=CC=C(C(N3CCN(C)CC3)=O)C=C4,FPRAWXRDYQYMIR-UHFFFAOYSA-N
-D8010901FDFCCAA6_DC6EA27AB4A02C8E_6038_UN,N(C1=C(C=CC(=C1)N2C(=O)CCC2=O)F)C(CCCCCN(C)C)=O,ZCFDJFUALYFMIU-UHFFFAOYSA-N
-D9979E297B768E23_0F7A1C31212DB829_6034_UN,CN1CC(=O)N(C(=O)C1)CCNCC2=CC(=C(OC)C=C2)OC,LDXZEOHCHXYSGS-UHFFFAOYSA-N
-DA48985F23FFE41A_D1F58F6DEE1DD77C_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H]3C2=CC=CC(=C2OCC3)C,HUDIEBZICBJWLC-GFCCVEGCSA-N
-DD1397D8D53D9DCF_E66098D74C9DE65E_6004_UN,CC1(C)CC(=O)C2=C1C=CC(=C2)C3=CC(=CC=C3)C4CCC4,SJEYGUYVZYDXOD-UHFFFAOYSA-N
-DE19C52A2E5B2CE3_E3B2E6DC9866A01F_6041_UN,C1(=CC=C(C=C1)N2CC(=O)NC2=O)NCCCC(C)=O,YIXHZFNCXIBYDR-UHFFFAOYSA-N
-DE61798DE8A2A97E_0CDAA56628DE711D_6039_UN,O(CCN1C(=O)CNC1=O)CC(C2=CC=C(CNC(C)=O)S2)=O,FYDBKOONPUSZQM-UHFFFAOYSA-N
-DED6C670E98DFF9A_2C9CF84BD1D93BE0_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC(C)(C)CC#N,GVJCWLSQPHPBQL-UHFFFAOYSA-N
-E08CF76A970EFF5E_97E7D859968FF906_6004_DP,N1CCN(CC1)C2=NC=C(N=C2)C3=CC=C([Si](C)(C)C)C=C3,RBHDHBINVZNBSU-UHFFFAOYSA-N
-E2DDE9956852D837_582D346C9488A321_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCCS[S](C)(=O)=O,YRRSEPLWYBZMAI-UHFFFAOYSA-N
-E40DF14BDA4B43B5_9341483EB7C2AF68_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]3C[C@@H](C2=CC=C(OC)C=C2)C3,XHUYLRLZEMMBSU-OKILXGFUSA-N
-E41EA8DBD0A9746F_574B852041EDA50E_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]2CCOC3=C2C=C(CC)C=C3,UBUUJYCXZJAMLD-ZDUSSCGKSA-N
-E47FD682D878A7E0_DC6102551E16A330_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CC[N]2C(=C(I)C=N2)C3)N4CCOC4=O,IZUGJYSDSNOCFR-UHFFFAOYSA-N
-E553545D6926C0C6_5B06D4763289BC2E_6038_UN,CC(OC(=O)COC1=C(C=C(C=C1)[S](=O)(=O)Cl)F)CCC=C,QZRUXWOZVWBOIJ-UHFFFAOYSA-N
-E5B094B235669EC9_578312BB0E8F54DC_6041_UN,CN(C)C1=NC(=NC(=C1)NC2=C3C(=CC=C2)OCO3)N(C)C,VPKYHTWFWRGEEQ-UHFFFAOYSA-N
-E78AA874452DA641_3FBB5788AC058085_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C=CC3=CN=C(C)C=C3)=O,UUTUDPJSPUHFEV-UHFFFAOYSA-N
-E9362CF5DF284FD2_999734639D3140BE_6038_UN,CN(C)C1=CC(=C(C=C1)NC(CN2CCN(CC)C(C2=O)=O)=O)C,LRIMRYFHIHXTPR-UHFFFAOYSA-N
-EBD7465B9C187467_F92CE40DE6FC158E_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(C[Si](C)(C)C)C=CC=C3)(=O)=O,XMRSSZBQSPBGTF-UHFFFAOYSA-N
-EE3ACDAA2F4CA5D3_06D1EEBFC389D6DE_6041_UN,CC1=CC=C(C=C1)C3=C2C5=C(SC2=NC(=N3)NC4=CC=C(N(C)C)C=C4)CCC5,LNYFJZUYDZVGDL-UHFFFAOYSA-N
-EF02929631979CF4_DB85CF1FAFEABE64_6031_UN,CCCCCCCC(=O)C(=O)OCC1=C(OC)C=CN=C1,BRXKMWFOBXQIBH-UHFFFAOYSA-N
-F2BA68FD9C2CEAEB_8F2E063DDE22C275_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1)I)Br)NC2=C(CC(=O)N2C3=CC=CC=C3)C#N,FNDHKETWYLELAD-UHFFFAOYSA-N
-F4C181C8FC34516A_EA8FCAAFE6B53621_6038_UN,N(C2=C1C=CC=CC1=NC=C2C#N)C(CC[S](C)=O)=O,KLZWUBKKVYNLJF-UHFFFAOYSA-N
-F5DEAC0EC848AA6A_422047FF3EF01CA6_6041_UN,C1(=C(C=CC=C1)N2C(=O)C=CC2=O)NCCC(=O)NC(=O)N,WVDZWBQMVUVWQD-UHFFFAOYSA-N
-F66918767F490362_B180CB32704F059B_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=CC=C5)N6CCCCC6)(=O)=O,FFSGMSCOUSVGLD-UHFFFAOYSA-N
-F8133E0BC21E072B_50CF9CA54701EDA3_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)Cl)Br)F,VCYGSNRAHVBILA-UHFFFAOYSA-N
-F832EA53A5B15D58_87D80259BC470D79_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)F)Cl)Br,TVAFPEHYMXMYLH-UHFFFAOYSA-N
-FA70C57A9CEA138C_24021398E3011B11_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC(C[S](C)(=O)=O)C3=CC=CC=C3,UJZIMTUTEWVBOL-UHFFFAOYSA-N
-FA7D897EAAD5D4AA_033E203E08A5C7D1_6038_UN,CN(C)C1=C(C(=CC=C1)NC(CN2CCN(CC)C(C2=O)=O)=O)C,USFNHNBDLCISLF-UHFFFAOYSA-N
-FAD05441863E5B00_5DB40E9F66B87432_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C6CCCC[N]56)(=O)=O,YRGPQPGAQHOHMM-UHFFFAOYSA-N
-FD8AE9E023F0A8BD_6D333517CD9B0FA0_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)F)I)Br,RMUUTQZCFMNBEK-UHFFFAOYSA-N
-FFA93D9409BE8E6D_430EAE614D20F312_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(C(=C2)F)F)OC,CUWSPTWJMAKWSF-UHFFFAOYSA-N
-rxn:1:40788:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC=Cc4cc(C(=O)O)ccc4C)nn3)C2=O)c1,FMCZVMOUDPGUAQ-UHFFFAOYSA-N
-rxn:1:41600:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC=Cc4cc(Br)ccc4C(=O)O)nn3)C2=O)c1,LBCCQMADXUJSOR-UHFFFAOYSA-N
-rxn:1:49398:25467,Cc1cc(N2CC(c3cn(CC4CC(C)(C)C(=O)O4)nn3)CC2=O)c([N+](=O)[O-])cc1C,XEOWWNFDHZPKOD-UHFFFAOYSA-N
-rxn:1:60225:8005,CC(=O)c1ccc(C(=O)N2CCC(n3cc(C(=O)N4CCN(Cc5nc6ccccc6c(=O)[nH]5)CC4)nn3)CC2)cc1,ZHWUZHYULWZPCV-UHFFFAOYSA-N
-rxn:1:60294:13769,Cc1cccc(CC(=O)N2CCC(n3cc(-c4cccc(C(=O)N5CCN(S(C)(=O)=O)CC5)c4)nn3)CC2)c1,WPBKBDXSXBFFJS-UHFFFAOYSA-N
-rxn:1:60637:39424,COc1ccc(-n2cc(CN3C(=O)SC(=Cc4cc([N+](=O)[O-])cc(OC)c4O)C3=O)nn2)cc1C(=O)O,CGJXAIGIMODSHX-UHFFFAOYSA-N
-rxn:2:121682:151416,CCN1CCN(c2ncc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc2C)CC1,PERNJHWHEGUCSA-UHFFFAOYSA-N
-rxn:2:87711:160422,CCN1CCN(c2ncc(CNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cc2C)CC1,LJZZHTXMMQFHSU-UHFFFAOYSA-N
-001EB38AC5719C7A_E3666B5CD27D2C20_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,CNPUGBROHMUZGI-BETUJISGSA-N
-03159F83C4212E1D_6A4D486DFEF3EC99_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)Br)[S](C3=CC(=CC=C3)Br)(=O)=O,VJMGIOVGPQRKEP-UHFFFAOYSA-N
-037A2BD3D5A5E70D_94112D16A85759CF_6038_UN,NC(=O)C3=CC1=C(C=CC(=C1)NC(C2(C(C)C)CC2)=O)[NH]3,UBGLLJILMXRPBT-UHFFFAOYSA-N
-05E0F80BF679DDEA_67424762A4BA60FC_6041_UN,FC2=C1N=CN=C(C1=CC=C2)N[C@H]3CN([S](N(C)C)(=O)=O)CCC3,FGDCTJZBHLRQJX-LLVKDONJSA-N
-06264339CF73C402_09206F3B263C8EBB_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C(OC)C2CCC2)=O)C=CC=C3,KDAHLMPMPYJJGA-FPZHHAFBSA-N
-064E1E662BD1C077_DAD03424E7336A71_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]3C2=CC=CC(=C2CC3)F)N(C)C,ATKWXKVOSDWKJN-AWEZNQCLSA-N
-06613C823408E129_9B1F7BDC2E60DCF8_6029_UN,N(C1(CC1)CC=C)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,BXAWXMBEBPFOAH-UHFFFAOYSA-N
-08A9155135176D36_51F4BB887E69A597_6038_DP,C[C@H]1OC4=C([C@@H](C1)NC(C3ON=C(C2CNC2)C3)=O)C=CC=C4,UMZVUSCPCALPIR-GGNQIRCASA-N
-0917E69A7C459CF1_D7A4702BDF8068DE_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=CC=C(CC(C)C)C=C3,AWZZQQGXVGDQRV-UHFFFAOYSA-N
-092D446FF8D5A3B3_4DA448A35D797716_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2(CC2)C#C)C3=CC=CC=C3,HAOIJGZGYVOYHX-UHFFFAOYSA-N
-09C65DEFD0BDB125_82855B3136B71DC6_6039_UN,O(C1=CC=C(C=C1)N2CC(=O)NC2=O)CC(=O)NC(=O)NCC=C,QCULTWQQFZETFJ-UHFFFAOYSA-N
-09FDC7706F77E9DB_5124C8D56A6D2B49_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CCCC2(C)C)C#N)[NH]N=C3,CQHIRCMJCMOPQR-UHFFFAOYSA-N
-0AD3B2A670610641_57CBCD98D4B2FC9F_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4(O)CCOCC4,TTXLUCXNWLMHPI-UHFFFAOYSA-N
-0F8790A483F29AE6_424FEC860C824FE2_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,XNADIZQAQVMMBY-GFCCVEGCSA-N
-108774B7EDC51387_9A8D5416248A7169_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=NC(=N3)N(C)C)(=O)=O,XUQJSKIAPYVJSV-UHFFFAOYSA-N
-12CACA73F619F6B8_431F1500E7F71D00_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=CC(=CS3)[S](Cl)(=O)=O,FIDZFIIAFNGCNM-UHFFFAOYSA-N
-13340C97A22153F3_CBD8EBA78D857D54_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](CC)(=O)=O)CC3,DQMUGNTWWFHDHA-UHFFFAOYSA-N
-13EF7E740C78B44F_C913A3E3638F143A_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=N[N]2C3=CC4=C(C=C3)OCO4)(=O)=O,DECQXGQBMLGSBI-UHFFFAOYSA-N
-163698F0AD4C3B6E_E9017D16BF4519BD_6041_UN,CC1=C(N=CC(=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,JHNBVHZDRKRYNO-CQSZACIVSA-N
-18F415755C2C1632_7E3C5AD427BBF4A9_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C([C@H](OC)C2=CC=CC=C2)=O,GVMKIYYSYWJMBR-ZYHUDNBSSA-N
-18F84F7E96AD9C79_33BBB1E127B4B56F_6005_UN,Cl[S](=O)(=O)C1=C(C=CC=C1)C2=C(C=C(C=C2)C3CC3)F,TYRXGGFLPDKWSG-UHFFFAOYSA-N
-198220343B8E6F71_1D512AD200407A54_6029_UN,CN1CCCN(CC1)C2=C(C=C(C=C2)F)CN[S](C3=CC4=C(N=C3)OCO4)(=O)=O,KRUQWPMKPKYKFR-UHFFFAOYSA-N
-19AE0D27BCA515A6_60126E73850EAF03_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(C=C3)Br)[N]4C5CCCCC5)(=O)=O,KNOHKHGCLJCJRR-UHFFFAOYSA-N
-1A21DA63979D6133_BF039FC8B42E0F5D_6041_UN,CC1=C(N=C(N=C1)NCC2=CC3=C(C=C2)OCCC3)[S](=O)(=O)C,HLMYVISAELUHOR-UHFFFAOYSA-N
-1A625E57D58382A8_B1FFCC74EB20A8F8_6038_UN,COC(=O)C1=N[NH]C(=C1)CCNC(C(=C(CC)C)C)=O,YVNDHJWTRQQILI-UHFFFAOYSA-N
-1A9B907E6780F646_F4DC628B4D45D646_6041_UN,C[N]1C=NC2=C1C=NC(=N2)NCC3CCN([S](C)(=O)=O)CC3,AVDAKOYGCQPKMW-UHFFFAOYSA-N
-1D034A981CA7D650_347018B0089D0BEA_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(C2=C(OC)C=CC=C2)C)=O,ABULFMCWHLTCLR-HCCKASOXSA-N
-1D86895B18C74BA5_117EF18566972307_6029_UN,N(CC2CCN(CCC1=CC=CC=C1)CC2)[S](C3=CC=C(C(C)O)C=C3)(=O)=O,RGQNYXQSOBTBMW-UHFFFAOYSA-N
-1EF5116995B8B93B_EB3B2DBAC2B9C154_6039_UN,CC(C)N(C)CCOCC1=C(C(OCC)=O)CNC(N1)=O,UFBVERWGYDRWSF-UHFFFAOYSA-N
-20AB7EF619B49659_FF2052A861E16D01_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C2=CN=CC(=C2CC(OCC)=O)[N](=O)=O)(=O)=O,AXACMZFGCIZJAG-UHFFFAOYSA-N
-21C6A58B158980F7_5A82EA5793F1C58B_6029_UN,ClC1=NC(=NC=N1)N2CCN(CC2)[S](C3=CC=CC(=N3)[N](=O)=O)(=O)=O,PSMVEDSVKHGWGK-UHFFFAOYSA-N
-21FB1142181894CA_5F2D6989021BF1B6_6006_DP,NC1CCN(CC1)C2=NC(=NC=N2)C3=CC=C([Si](C)(C)C)C=C3,AFZPGOCOWBOLIN-UHFFFAOYSA-N
-22EFDF7380560401_6D38B03F9AE09056_6041_UN,CC1=NC(=NC(=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)(=O)C,VJDSBDDWOAETCH-CQSZACIVSA-N
-2379C2E47D5EB93A_FE2C8490320EB3CA_6039_UN,COC(=O)C1=CC(=C(C(=C1)C)OCC(=O)N2CCNC2=O)[N](=O)=O,AKVNJYFHKCDFAT-UHFFFAOYSA-N
-23B1B88CE6C7BC5B_7590F92AA95EF737_6041_UN,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC2(CC)CC2)C(=O)O3,SNWPJUZNFSKOLC-UHFFFAOYSA-N
-255E89DFEB684DE6_2AA64CFE5C0CEC37_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCCC(N3CCN(C(C)=O)CC3)=O,MTKOXDGZARBXPL-UHFFFAOYSA-N
-2725EAF39D1F0791_B326C21B1C649E29_6041_UN,OC(=O)C1=CC=C(S1)C2=CC=C(S2)NCC3OC(OC3)=O,NVSMTJYLIRAXJK-UHFFFAOYSA-N
-297DBB191C388FB6_1224B977A7A14E26_6038_DP,COC(=O)C1=CC(=C(C(=C1)OC)OC(CC2CNC2)=O)[N](=O)=O,HWJWIPRMPFGDAW-UHFFFAOYSA-N
-2A6845CC5A466DF8_6FB65CC3484A4445_6034_UN,CC(C)CNC1=C(N)N(CC(C)C)C(=O)N(C1=O)CC2=CSC=C2,XIYIQSPOQGAISD-UHFFFAOYSA-N
-2A7F73FDF5060FD7_643A13933CBFC12B_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(CC2=CCN(C)CC2)=O)C=CC=C3,YKQAQAWSQLRQLQ-CZUORRHYSA-N
-2A906819169705AB_A275FF18DDA36B6B_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(CC2(OC)CC2)=O)C=CC=C3,WAOXNMRVTAZPDK-DGCLKSJQSA-N
-2AA9E77D3B8A58B6_E31D1C1CD14C24C9_6041_UN,CC(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(CCC2)C=CC(=C3)F)N(C)C,MYJWJGBJDKGJSO-HNNXBMFYSA-N
-2BB6CE1DA245A289_9813445BCA308A8E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C(C2=CC=C(OC)C=C2)C)=O)C=CC=C3,NQNXCXOZXOSXLV-VZGYSGOJSA-N
-2BE7B803083DD46A_D2A50825D0D13272_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NCC3CCN([S](C)(=O)=O)CC3,NAFXPEAQFFBKRJ-UHFFFAOYSA-N
-2CE406884B9749B5_C5488C8F1461E175_6038_DP,CCOC1=C(C=CC(=C1)NC(C(C)=C2CNC2)=O)[N](=O)=O,DQQBVAXMWJLZNC-UHFFFAOYSA-N
-2D72BC0DCC2C8DDC_6714736D144A6770_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C2=CC(=CC=C2)N3C(OCC3)=O,PTMUCMFMNVIUSL-UHFFFAOYSA-N
-33E860E708B572A8_1F4E150B48F3856D_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)CC4=C3C=CC=C4)Br,WHBLXTUWKHKIGU-UHFFFAOYSA-N
-34CA803B28294DE8_E2C71A22B8D4F8CB_6027_UN,CN1CCCN(CC1)C2=NC=C(C=C2)CN[S](=O)(=O)C4=NC3=C(C=C(C=C3)Cl)[NH]4,LXNYKZMMRWWKBN-UHFFFAOYSA-N
-34CA803B28294DE8_E2C71A22B8D4F8CB_7015_UN,CN1CCCN(CC1)C2=NC=C(C=C2)CN[S](=O)(=O)C4=NC3=C(C=C(C=C3)Cl)[NH]4,LXNYKZMMRWWKBN-UHFFFAOYSA-N
-357FBE40A027FC51_5220A0BA94E77953_6038_UN,CCC[C@@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)CC(=O)OC,ZBPCFCIXCCUWFS-SECBINFHSA-N
-35C62F40ED677C84_D229FA9D2754DC5D_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C(C)C=CC=C3[N](=O)=O,ZFCASNWGJUXWIZ-UHFFFAOYSA-N
-39341188FAC4564B_DB4F174A1009BE55_6029_DP,CC2CSC1=C(C=CC=C1)CN2[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,PNJPLVIRIIMSEY-UHFFFAOYSA-N
-3C83F8F483453EC6_C54B3385E96AAC9F_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CCN(C)CC2)=O)C=CC=C3,GCLSLNDBMQOCAY-IUODEOHRSA-N
-3D5A75215175D9F7_D7353916B7997A22_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC3([S](C)(=O)=O)CCOCC3)C,JCXRRSJFRQSZBF-UHFFFAOYSA-N
-3DEC3341DF080486_15DE799B440EA850_6029_UN,N(CC1=CC(=C(C=C1)CO)F)[S](C2=CC=C(C=C2)C3CC3)(=O)=O,IWNSOZPMLAPRRS-UHFFFAOYSA-N
-3EFA6AF98A303395_4F783610724C553A_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C(C)C=CC(=C2)[S](=O)(=O)C)[N]3C4CCCC4,QJTIRSIAEXLMMM-UHFFFAOYSA-N
-461302B2FB35C390_61ABCC65672A4A7C_6029_UN,CCC1(CCN(CC1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O)C,KQGVUAKNKJZOJF-UHFFFAOYSA-N
-48FE728A41E8E295_9E1C134FD8B1E560_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(CCCC)=O)=O,OLXOFLBLIPNOQF-UHFFFAOYSA-N
-4A14AD309C740BCA_B71BB44AD246F05F_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C=C(C)OC2=O)C)=O)C=CC=C3,JCXSLZHOMBICDZ-TZMCWYRMSA-N
-4AED8F9FE2E9D957_F2FB1E28828B6222_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(CC2CCC(OC)CC2)=O)C=CC=C3,SEVBJSKIRVRSNM-ARAOSMHQSA-N
-4BF8326916DD14F4_64B788344CBF9328_7017_UN,CC2=N[N]1C=C(Br)C=NC1=C2[S](=O)(=O)N3CCN(C#C[Si](C)(C)C)CC3,KFOAMZPYQHBEHE-UHFFFAOYSA-N
-4C57A122CFA1E257_0D300C2BE093A0A7_6005_UN,F[S](=O)(=O)C1=C(C=CC=C1)C2=C(C=C(C=C2)C3CC3)Cl,VMLZHCOEDBBEJS-UHFFFAOYSA-N
-4E4FC635154D6959_00F40A613EBADEB3_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4CN([S](C)(=O)=O)CCC4,LYOZEPKGQGBCMR-UHFFFAOYSA-N
-504FC38EC841101F_41B1FB1FEF6127E1_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC4=CC=C([S](N3CC(CC(C)C3)C)(=O)=O)C=C4,XPXCVFNLWMVTCU-UHFFFAOYSA-N
-50E07E74F8963119_5A8B40D39F90A732_6041_UN,CC(C)C1=NC(=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)N(C)C,TXUSVKAEVUTKQI-CQSZACIVSA-N
-52FE06B26A8A4AC4_15AE720A0EE113AD_6038_UN,CC(C)C1=NN=C[N]1CCNC(C(CCN(C)C)=C)=O,AZWXHNOQBKJRQO-UHFFFAOYSA-N
-54676E17ECFC38B1_D14D75DDAB9FCDFD_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)CCO)(=O)=O,ZZWNQGPTKRUUEV-UHFFFAOYSA-N
-54C07851D919C09F_44FA4EBF52F07AAE_6029_UN,O=[N](=O)C1=N[N](C=C1I)[S](C2=CN=C(N=C2)N3CCCC3)(=O)=O,QZUYDYGLTXZAAH-UHFFFAOYSA-N
-582D106031C8C318_CA6C0FD2C6FD6D4F_6041_UN,CC2=C1N=CN=C(C1=CC=C2)N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,PVWJJISXVNGJTE-BETUJISGSA-N
-591115BAA0B29927_876B4EACCA58E99A_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC(CCCC)CC,CDKCXLUKUMEZIU-UHFFFAOYSA-N
-5A530E258249E86F_BE65B604849779F5_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C(O)=O)C=CC=N2)=O)C=CC=C3,BQPHCEOKNZYSCO-ZWNOBZJWSA-N
-5A6CBD46EC9730BC_232F96CDD8BB436B_6029_UN,N(CC(CO)CC1CC1)[S](C2=CC=CC(=C2)[C@H](C)O)(=O)=O,PZMDGXWAXNSSJO-AMGKYWFPSA-N
-5AF9863EB7544D00_3835C3DC8DDC8AB4_7019_UN,C(C1CCNC(=O)CC1)=CC2=CC=C(C(C)(C)O)C=C2,BFTPDRUEKDVZCE-UHFFFAOYSA-N
-5BDA1F756106E18D_39A87EACA5A5F1EE_6038_UN,CC(C)CN1C(OC(C1)CNC(C(CN(C)C)=C)=O)=O,KKHCGJDUODYWKS-UHFFFAOYSA-N
-5C7302274781F1BE_78DA8B9AC4102960_6029_UN,C[Si]1(CN(CCC1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)C,WTBVUAXWHSOVII-UHFFFAOYSA-N
-608265D0C3883A2E_959025390D7997A8_6029_UN,FC1=CC(=CN=C1)N2CCCN(CC2)[S](C3=CN=C(C#C[Si](C)(C)C)C=C3)(=O)=O,HRFPZTNFPQHMLJ-UHFFFAOYSA-N
-614C01CF383CC679_CE69683D97E3B03B_6039_UN,CC(C)C(=O)SCCOCC1=C(C(OCC)=O)CNC(N1)=O,CJVQTFGAWSSDAG-UHFFFAOYSA-N
-625811F923596130_ADDF18F651200796_6038_UN,CN(C)C1=NC=CC(=C1)CNC(CC(CCC)CCC)=O,BVIDCCFOBLRZIV-UHFFFAOYSA-N
-63BA8B21420959D2_01497A3E12A718AE_6029_UN,C1C(CN1[S](C2=CC=CC(=C2F)B(O)O)(=O)=O)C3=NC(=NC=C3)C4=NC=CC=N4,PAJQUBMCGWCTHF-UHFFFAOYSA-N
-64D2F9C397B3890A_0880A15088D0E0A6_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)N=CS3)=O,IZPPHRIULMFXAP-CQSZACIVSA-N
-66AA7BA8FE7EE1EA_107D550DEE2D669C_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C4=CN=C(N3CC(O)C3)C=C4)(=O)=O,SILRXKHQPRQCKX-UHFFFAOYSA-N
-673B74B60ED47232_5294DBB740CE2BD8_6029_UN,N(C1(CC1)CCC2=CC=CC=C2)[S](C3=CC=CC(=C3)CO)(=O)=O,DAPHNFVCJRBTLE-UHFFFAOYSA-N
-673C09855C45C294_8A409087BB576622_6003_UN,CCOC(=O)C3=NOC(COC2=CC1=C(C(NCC1)=O)C=C2[N](=O)=O)C3,XULMBRHVKQVPFD-UHFFFAOYSA-N
-68F315A277EF3B48_E9CCC010A5136D30_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3CN([S](C)(=O)=O)C3,AJULYPFOYCIQCQ-UHFFFAOYSA-N
-6A189C0551CF05E4_688550C6970A9C32_6031_UN,O(C(=O)C1=CC(=C(C=C1)N2C(=O)CCC2=O)[N](=O)=O)CC3CNCC(C)(C)C3,XYRJDIGHQKCGNH-UHFFFAOYSA-N
-6C377F5B39136BF7_55943A32A94A0E7B_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC5=C(C=C4)C(=O)CCO5)(=O)=O,RHIDREAEFHHSJN-UHFFFAOYSA-N
-6C7B28AC8B8262E5_7B8B649F65902FE6_6038_UN,CC(C)CCN1C(OC(C1)CNC(C(CCN(C)C)=C)=O)=O,UYVRXLRBKDSEMW-UHFFFAOYSA-N
-6D22087CA728DDA3_3D1E3F205ACC3F5D_6038_UN,CN(CCNC(C1(CC)CC1)=O)[S](=O)(=O)C2=CC=CS2,JAJRNVWYRIMHBE-UHFFFAOYSA-N
-6ED1111FEEC13486_8237B67ED5F148AD_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4CC4)(=O)=O,WQOCLGZBBYMFLK-UHFFFAOYSA-N
-72B297B48DC1F5B9_9F67496D917F3074_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,NTRGBDGEMAZELE-UHFFFAOYSA-N
-73540EC1EDFF3151_26C75C2817A2B4DE_6041_DP,C1(=CC=C(C=C1)C2CC(=O)C2)NC[C@@H]3C([C@H](O)C3)(C)C,NXYVNEYCMDGWIQ-CZUORRHYSA-N
-7559EC4DF208CF0D_8734FDE50547C92D_6039_UN,N[S](=O)(=O)C1=C(C=CC=C1)OCC2=C(C(OCC)=O)CNC(N2)=O,DAQFCOAWCMUPNY-UHFFFAOYSA-N
-76198C6833418E9A_9A5CA9E409951C99_6041_UN,FC1=CC=C(C=C1)[N]2N=CC3=C2N=CN=C3N[C@@H]4C[P](C[C@H]4O[Si](C)(C)C)(=O)C,OSRGXLDUTYPZCG-CYINIFOASA-N
-79366DE158446B41_E8E6F130F7247AA1_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C([N]2N=NN=C2C)=CC3=CC(=CC=C3)F)=O,VZMMLWCZRGJFJR-UHFFFAOYSA-N
-7997D1B4C00C0F6A_634FAD765923D0F2_6041_UN,C1(=CC(=CC=C1)C2(CC2)C#N)NCCC3C(NN=C3C)=O,JDMMFPCPPHGXKS-UHFFFAOYSA-N
-7A263DB90F6A051E_56B8C624184CF5E9_6038_UN,S(C1CCC1)C(=O)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4,UPRREOWTHUQREX-UHFFFAOYSA-N
-7C496AB7121308F4_422B2CA22CF5E36F_6038_UN,N(CC[N]1N=NC(=C1)C2CC2)C(C3=CC(=C(C(C)=O)C=C3)C)=O,XBAQHOBMPSFSQW-UHFFFAOYSA-N
-7CCBA9CBA4BB0FB6_6B01E343D18E8396_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(CC2CN(C)C2)=O)C=CC=C3,DPZWXUZVDHVDFE-BXUZGUMPSA-N
-7DBE828692E2C351_4C1DFA3294AED724_6038_DP,COC(=O)C1=CC(=C(C=C1)OC(C(C)=C2CNC2)=O)[N](=O)=O,TUDPFMKHXSNFGT-UHFFFAOYSA-N
-7DDE3DBC08F83536_8AB4885F8C0FDF01_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC3C(N2C(CN(C(C)C)CC2)C3)=O,XEDQQTNLCGRHEN-UHFFFAOYSA-N
-7F00B3F21E013F59_B59BA5341EA9753B_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CCCN(C)C)=O,JGRSWSUFWZAINK-UHFFFAOYSA-N
-7F0D92E691F75368_2870CEB3482A817D_6039_DP,N1CC(=CC1=O)OCC(NCC2=CC=CC(=C2)OCC)=O,ITOKCERRPXKBAC-UHFFFAOYSA-N
-815541DBA000F869_F62B9511E21C627B_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(CC[S](C)=O)=O,ZKUFXQQKEQGXMV-UHFFFAOYSA-N
-831BBCA4268ABA7C_63471BA8E961E74A_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,PPLBOKPQHXKSQZ-UHFFFAOYSA-N
-84CBF752570C7AD4_0DE5C927476E0539_6038_UN,O([C@@H]1COC(=O)C1)C(CC2=CC=C(C(C)(C)C)C=C2)=O,MGCBZVBDTVHAEZ-ZDUSSCGKSA-N
-862E97DD95B2A83A_C34C2422E3849DC7_6038_UN,CCN1CCN(CC1)C(=O)CNC(C2=CC(=C(OC)C=C2)C(C)C)=O,CGZNLESTKKOQIS-UHFFFAOYSA-N
-867692734362E613_38C8F48E54F8B74B_6041_DP,CC1CCC(=O)C2=C1C=CC(=C2)NC3(CNC3)C4=CC=CC=C4,XZOZDCHNNOJPBG-UHFFFAOYSA-N
-87401048B2EFA058_5E98D04BA8B10F7F_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4CCN(C3=C([S](CC)(=O)=O)C=CC=C3)CC4,JCUHEGLYWODKRG-UHFFFAOYSA-N
-89837C3198549F05_87A28AB6FEB3B06D_6038_UN,CC1(ON=C(C1)CNC(C2=CC=C(C(OC)OC)O2)=O)C,RNWKBZAWXOLGPQ-UHFFFAOYSA-N
-89FC296ED6708A3B_5C340B018E7CF9D5_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(CCC3CNC3)=O,BZSKSULEBNCOTE-UHFFFAOYSA-N
-8E28A14335B8D1E7_C5B8A7CDC52F85B1_6041_UN,C[N]1C(=CN=C1N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,XGDCYFJGLXZRIC-LBPRGKRZSA-N
-8ECFB3574B3062CB_6D225C1E776DBBC1_6027_UN,N(C1(CCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)CC)(=O)=O,YDJSCYBARYJHSP-UHFFFAOYSA-N
-90974CCD69FA140C_7BC547594D2278B4_6041_UN,CC(C)C1=NC(=NC(=N1)NC2C3=C(OCCC2)C=CC(=C3)F)N(C)C,GKJJVWJRFWIGGH-UHFFFAOYSA-N
-91733D9984E09860_70F9B5319ECD98F4_6038_UN,S(C1COC1)C(=O)CC2=CSC(=N2)C3=CC4=C(C=C3)OCCO4,BXNYWNZZAQCDOS-UHFFFAOYSA-N
-91C18CCE968F57A1_81F12D415E448566_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,ZIFZEAPPLNPSBF-UHFFFAOYSA-N
-943038D5045B44C9_DBC0E628BE15BC42_6029_UN,C[N]1C=C(N=C1)C2=NN=C(O2)C3(CN(C3)[S](C4=C(B(O)O)C=CC=C4)(=O)=O)C,KZLUXUGDGQJSGU-UHFFFAOYSA-N
-94FA7CB72E7FF974_765E4ED9352AA65B_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC([C@@H]2CN(C)CC2)=O)C=CC=C3,DDJORDOBCZTGFF-MBNYWOFBSA-N
-950EC80B1DFE0C47_086ACC4B0FE81EEC_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(N=CC=C5)C6(CC6)C#N)(=O)=O,VVHFOSWEBCFMTO-UHFFFAOYSA-N
-97FB9C502C58F2C5_B15B60E4B9EB593F_6041_UN,OC(=O)CSC1=CSC(=N1)C2=CC=C(C=C2)NC3CONC3=O,CWYIHUUNMIXAIF-UHFFFAOYSA-N
-98E6015219C295E7_B50CED9D5F513626_6029_UN,N(C1C=CCC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,LGGBSEZLFDUNEW-UHFFFAOYSA-N
-99EA6DEEB09B74B0_076031A999EA5D52_6031_UN,O(C(=O)C[N]1C=NC(=N1)[N](=O)=O)CC2ON=C(C(C)(C)C)C2,ZARNLIRPPIMSFH-UHFFFAOYSA-N
-9CB16191491CD64A_8F5E5419E6D06B82_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(=C(C)N=N3)C)C#N)(=O)=O,RHDLOIMUUHCWTA-UHFFFAOYSA-N
-9D32E27DE2826DB6_128C18C1771B0812_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(CCN(C)CC2)C)=O)C=CC=C3,OJPCGBJBMYGQIG-UKRRQHHQSA-N
-9F847CD870BFD858_3D7C71FD6BEF8F05_6029_UN,COC1=CC=C(C=C1)N[S](C2=CC(=CC=C2)C3CC3)(=O)=O,GZIDJFAIWNTCHK-UHFFFAOYSA-N
-A083748D21A73294_E87DD4E91EEA058D_2267_UN,OC(=O)CNC(=O)C#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2,XOTVAVJRSGWJIQ-UHFFFAOYSA-N
-A0F999C1382F810B_FE41905AF49FEF3A_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(CC(C)[N]3N=C(C)C=C3C)=O,QOCCGVWRIUAYCH-LWKPJOBUSA-N
-A25585F0E31519B0_C0DC614C4FCF6656_6038_UN,S(C1CC1)C(=O)C2=CN=C(S2)C3=CC4=C(C=C3)OCO4,CYUYWYLYJHKZEV-UHFFFAOYSA-N
-A32D45D73AFE6B14_D8B4BA8F9855752F_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3CN(C)C3,ZVDAWSHXSHFTRQ-UHFFFAOYSA-N
-A3B76BF8E2ED3E48_49902C770BB9E496_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[CH]3C[C]2(C[CH](OC)C2)C3,PTOUVNOPABDPHU-MYLOQMAZSA-N
-A421E73E075FD466_6642ADD998A39202_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CCOCC)C(=O)O,UEECCNKQYZGRJY-UHFFFAOYSA-N
-A5147D2109126CCA_1DF4D4E16E3ACBD4_6038_DP,CC(NC([C@@H]1CC(CN1)(C)C)=O)C2=CC(=CC=C2)N3CCCC3=O,LWLOVXQLTMQLFC-VYIIXAMBSA-N
-A63A55BABAE3208C_5D92BF38FF50264B_6041_UN,CC1=C(N=CC(=C1)[N](=O)=O)NC3CC2(CCN(C)CC2)OC4=C3C=CC=C4,PYZMBBJLJZARNN-UHFFFAOYSA-N
-A7989B7EAAEDF35E_1F91289549CF48CB_6038_UN,CC(C)N1CC(COC(C=C[P](CC)(=O)O)=O)CC1=O,XECNBXYTMCMMOK-UHFFFAOYSA-N
-A8BA1FC738D9407A_6C805622BF6F39DD_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NCC2(OC)CNC2)C(=O)O3,ASPJKROMPAFRLT-UHFFFAOYSA-N
-A91A1F3CA5D20A8A_C3BD866A03324C64_6038_UN,C[C@H]1OC2=C([C@@H](C1)NC(C(CCOC)C)=O)C=CC=C2,JDWIFXBTJZCAJI-JWCMVYSZSA-N
-AB901E96FB93ACC9_1AB7E3FE46469479_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](C(C)C)(=O)=O)C=C4,LSDJEMWZRXCLDZ-UHFFFAOYSA-N
-AC4FF88122C4F3C4_4AF848887C1119D1_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NC3(C(N(OC)C)=O)CC3,ZMINATXRPRSZPU-UHFFFAOYSA-N
-AC4FF88122C4F3C4_D66407209A3B84D5_6041_UN,C1(=NN=C2C=C(C#N)C=C[N]12)NC3(C(N(OC)C)=O)CC3,ZMINATXRPRSZPU-UHFFFAOYSA-N
-ACED52E572C41D5F_D68BCF4124B1B9FF_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H]3CONC3=O,RDBAAGDHYFIPQX-SNVBAGLBSA-N
-AED671F127000117_CDB60B0C551560C4_6039_UN,CC2=C(OCC1=C(C(OCC)=O)CNC(N1)=O)C(=O)C=CN2C,DFYLJORAEXISAG-UHFFFAOYSA-N
-AEE27F04A8F208FB_D0D915E8707C8274_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC=C(C(N3CCN(C)CC3)=O)C=C4)(=O)=O,OFTMNHVKYJYHBU-UHFFFAOYSA-N
-AF83805A100D20FB_19DB9A32BC7C1529_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)F)C(=O)C2=C(CCC2)C3=CC=CC=C3,OQQMUISSGPHGSB-UHFFFAOYSA-N
-AFFFBEBB067D3C4A_7C0A8332A821EBBE_6041_UN,O=[N](=O)C1=C(C=C(C(=C1)C#N)F)NCC3=CN=C(N2CCC(C)CC2)C=C3,VPCUHICGGHXJGJ-UHFFFAOYSA-N
-B014731E6BC17D23_B9C5A6600E3398C2_6035_UN,O(C1(CC1)C2=C(C=CC=C2)Br)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,BUSCMKQLPGLNGP-UHFFFAOYSA-N
-B134E02E3DB7C696_52B33374B797AAC4_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CCCC)C)=O,KMGKNLULXJXIPP-UHFFFAOYSA-N
-B1385C1D7B9A811E_9450EC2C8CCE6358_6029_UN,N(CC1CC=CC1)[S](C2=C(C=CC(=C2)C(C)C)O)(=O)=O,YJIDIRUHIQCCTC-UHFFFAOYSA-N
-B2DC8F337B003B39_025EEFB8B79BF25C_6038_DP,CC(=O)C2=C(C=C1OCOC1=C2)NC(C3=C(F)CNCC3)=O,RHZMKTDZSYDSJT-UHFFFAOYSA-N
-B500685E52146830_BE8A66FE57C7C53A_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C=CCN(C)C)=O,SBHKGYXGZQZPAB-UHFFFAOYSA-N
-B6D628C975DA6CD8_2ABDBB872072BA2B_6041_UN,C2(=C1OCOC1=CC(=C2)CC#N)N[C@H](CF)CCC(=O)O,YYNCXHBRZZOLLE-JTQLQIEISA-N
-B7B9377542B71C10_44756251155480DB_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCC3=CN=CC(=N3)C,BIXBBCSMOKVGIT-UHFFFAOYSA-N
-B8A314D0F4C43453_628D74A7A40AA03E_6038_DP,CC(C)[N]1C=NN=C1C2=C(C=CC=C2)NC([C@H]3CSCN3)=O,IABKAPQCEMHQPL-CYBMUJFWSA-N
-B9F2D5C05AB1759E_257564FD327EE5E2_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC3(C(CC)CCC3)C,DIRCANLZBFUPEB-UHFFFAOYSA-N
-BAAB25A0E2EE9746_A3DB50434114FA7A_6029_UN,N(CCC1CCC=CC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,UMZUJVLEQHJJBK-UHFFFAOYSA-N
-BAB0D9385AC6DA6F_8D333833D2D9E29B_6038_DP,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(NCC)C)=O,ADORIBUAUMQFPR-UHFFFAOYSA-N
-BB82A3E68F1957FF_DD5850644DB5D7F0_6038_UN,N(C1CC(N(C1)CC2=CC=CC=C2)=O)C(CCCC(N(C)C)=O)=O,VGZJEDALMFZONW-UHFFFAOYSA-N
-BC1BE97EFAF79453_034BB312A53E0514_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,LDTBKLVGIJLJCF-UHFFFAOYSA-N
-BF7A19A6C71F8592_F3200D711C44314E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](CC)(=O)=O)C=CC=C4,GWDDUUPLTRGDBV-UHFFFAOYSA-N
-C04585565CD90827_76FC06CFEF977699_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CC(C)OC2=O)=O)C=CC=C3,PMXBLNSZIHXRLS-UTZTVMBJSA-N
-C06FCCD51E55A106_E391D0CBA3E2FE6F_7022_UN,C1(=C(C=C(C=C1)C2=CC=CC=C2)F)OC3=CC=C(C=C3)O[S](=O)(=O)O,ITINEHXUHDEJNQ-UHFFFAOYSA-N
-C1631C7064C9FC96_627652A19E61DC17_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,OWHKAUCTQXRRRB-UHFFFAOYSA-N
-C16A69276DEDBF40_2A84BC8DCA8E892A_6038_UN,N(C1=CC=C(C=C1)CC2CC(=O)NC2=O)C(C(=CCC)C)=O,BSHVHLWRCHURGH-UHFFFAOYSA-N
-C21E83F3986F7BD4_9CF6F311595AAC53_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC4=C(C[S](N3CCC(C)CC3)(=O)=O)C=CC=C4,PVIHIJHVBWOAJZ-UHFFFAOYSA-N
-C277707C9AE0B1E2_AE1FDF04C04E92FD_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O,KFWKTPYZVWUWSV-UHFFFAOYSA-N
-C5B5A17838027EDB_91D99D468738439D_6038_UN,COC1=CC(=C(C=C1)OC(CCC2(C)N=N2)=O)[N](=O)=O,HBXOKFFPILFZGI-UHFFFAOYSA-N
-C65A70F0DE90AF3D_B9534631E33597B3_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(CC(CCC)CC)=O,CGWNHPSFRRXHIO-UHFFFAOYSA-N
-C7A0C18EBF2732AB_31E8BF8C3DD42865_7022_UN,C[P](=O)(C)C1=CC(=CC=C1)SC2CCC(CC2)C3=CC=CC=C3,NOLSXRSBUJDSPS-UHFFFAOYSA-N
-C86972E6D41418E8_97203273CC20799D_6038_UN,CC1=CC(=CC(=C1)OC(=O)[C@@H]2CCC(=O)O2)N3CCCC3=O,OENJLNAAGHBOLY-ZDUSSCGKSA-N
-C8FE1436B272888E_4A610882ACD36E54_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3(C2=CC=C(C)C=C2)CCC(=O)CC3)=O)C=CC=C4,AEANFFOOQLOZIT-DYESRHJHSA-N
-C94ACE6FCAFD306B_267C16AA1DCF2FB3_6003_UN,CCOC(=O)C3=NOC(COC1=CC=C([N](=O)=O)C2=C1CNC2=O)C3,JUNXZGACTUGMPU-UHFFFAOYSA-N
-C9FEB93CA472AC20_1A76EBD3D67287D4_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)C#N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,XOKCVFDFQQCKLS-UHFFFAOYSA-N
-CA48FD992933A3F6_3A3050B77483DF5D_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CN(C)CC2)=O)C=CC=C3,DDJORDOBCZTGFF-YXHCSQSYSA-N
-CA8EC7F6F77B73A7_6DC1848EEA605433_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)NC(C)(C)C[S](=O)(=O)O,IHLXYTYCPSWDQB-UHFFFAOYSA-N
-CBDA04AEBA7D202B_6283600AD615D310_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C=CC=C3Br)(=O)=O,PBXKVCCAWADZFE-UHFFFAOYSA-N
-CEC1E73373D2F44B_150FF36BA9C0B621_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=NC(=N3)CC)C)(=O)=O,YJRZABSYOLSFQA-UHFFFAOYSA-N
-CEEEE3D5F89997E9_90642BADBE71669B_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C)(C)CC(=O)C2=CC=CC=C2)=O,JJFLIHYQDAPTMF-ZDUSSCGKSA-N
-CFD44D7FA82E532B_55CA6AD26F655BCD_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)CCCN3CCC(C)(C)C3)Cl,PADLJOBOJQEEFJ-UHFFFAOYSA-N
-D17724D532ABBDEA_F43F380134B11977_6041_UN,CC1=C(N=CC(=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,NUPODKQTRYSHDR-OAHLLOKOSA-N
-D1F8D7DAAE63C888_FB5D830A80D5A42B_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC4=C(C=C3)OCCCO4)(=O)=O)C,AOWVZUGNDYYFLM-UHFFFAOYSA-N
-D23B6943F2DEBE59_B5EFA0F761FB4A73_6029_UN,ON(CC=C[P](=O)(O)O)[S](C2=CC=C(C(C)N1CCN(CCO)CC1)C=C2)(=O)=O,IPQLMWVRULDPAX-UHFFFAOYSA-N
-D42C70BDDF0EA91C_0E41C5EDCAB748D1_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3CN([S](C)(=O)=O)CCC3,URMOBPXWPNFHPU-UHFFFAOYSA-N
-D50DA13FBD7E0951_8FD7BD63A71D8590_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CC(CCC(C)C)N,XFPOADCTQUNKGL-UHFFFAOYSA-N
-D5B41C8C253D945E_59851204C12B5471_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)(=O)C,ALYRRZNIVATBMX-LBPRGKRZSA-N
-D91C4B506BB1DFC6_AA85AAB403589054_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4(C3=CC=C(C)C=C3)CCC(=O)CC4)=O,TWURMNNDAVVUDN-UHFFFAOYSA-N
-D9205FB7ACAD9431_C8E2B9B3F8224EA9_6039_UN,O(CC2CCC1=C(C=CC=C1)CC2)CC3=C([S](F)(=O)=O)C=CC=C3,SMPXNWVLLMDTML-UHFFFAOYSA-N
-D96C18B6F71E1DDA_50DCEDDC26F1BD88_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,SIXVGLGZFWXZAB-UHFFFAOYSA-N
-DAC257407832A2F6_42C89958322FA1E1_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2CCN(C2)C3=CC(=C(C=C3)F)F)[NH]4,QGCUOQLRGSKKHG-UHFFFAOYSA-N
-DB9C89CEDC724410_617827BC472E62A3_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)F)[S](C3=CC(=CC=C3)Cl)(=O)=O,NMWUKCNKSAJVMN-UHFFFAOYSA-N
-DF037FD26FE60391_F250A1D1678F3AD5_6041_UN,C[N]1C2=C(N=C1)C(=NC=N2)NCC3CN([S](C)(=O)=O)C3,AUNNKSVGLZYVTB-UHFFFAOYSA-N
-E000DAF4C9817AC6_B81BFCE804425732_7019_DP,CCOC(=O)C2=C(C=CCC1=CC=C(O)C=C1)NC(=O)NC2,RYIRPHDTRDIMCI-UHFFFAOYSA-N
-E0B7914D817E7100_555B6F2A6435FCF6_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C[N](N=N3)C4=CC=C(C=C4)Cl,WGVLWELYDJQUQJ-UHFFFAOYSA-N
-E1C865ADD4FBE2F7_6667927C0731CC3E_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,KYVJXIFRYZXGQT-UHFFFAOYSA-N
-E2123C3C3405E9C2_458B213E28CFEE24_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(COC)CCC2)=O)C=CC=C3,WEJCGZJJFCETLB-TZMCWYRMSA-N
-E288418B9DDCC471_8B1EBE839A024004_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=C([P](C)(=O)C)C=C2)(=O)=O)F,KGDWCYWYKIKFCG-UHFFFAOYSA-N
-E2BB5583A1458648_FE0D6F26E0B344A2_6043_UN,C1(=CC(=CC=C1)C2CC2)N[S](C3=CC=C([C@H](C)O)C=C3)(=O)=O,AILQPBIRSOMBMY-LBPRGKRZSA-N
-E4611068892CBFEC_F679721C2CC34559_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)NC3CN(CC)C3=O,KMYLTRPWWGCIHM-UHFFFAOYSA-N
-E6231BBBEFD3E707_F549675EB2494F48_6041_UN,C1(=CC(=NC=C1)C2=NC=CC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,VQCVDQBWTGGLDI-UHFFFAOYSA-N
-E8BEEA7236B44510_3F3620F4BF1B0B80_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(C=C5)SCCCC6)(=O)=O,ZNWZZZRMMCOILC-UHFFFAOYSA-N
-E9F9B5173E7660D0_3E1C70AC1A3869F0_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=C[N](N=C4)C5CC5)(=O)=O,SVOYWMQYENNNPV-UHFFFAOYSA-N
-EB4A8BB0E16CA952_2DB59A310705A2A3_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC(C(O)=O)=O)SC=C3)(=O)=O,OYOGISWKDTWYDG-UHFFFAOYSA-N
-EC0C70021EF9657E_D165128FEDCEC192_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(CC3=CCNCC3)=O,JDOOLBYZWGWFEP-UHFFFAOYSA-N
-ED4B8A5E8FFA76E4_44B8340F11F63B79_6041_UN,CN1N=CCC2=C1N=CN=C2NC(CC)C3=CC(=CC=C3)[N](=O)=O,HCSFZLVBAHOMFT-UHFFFAOYSA-N
-EFB1E6513A5A8C3D_4B9E29C2B1A0A051_6038_UN,CC(NC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CCC(=C)C,ZIBQNDKESIJJKG-UHFFFAOYSA-N
-F017FFBF2D594B91_E8E803E0CC9E18C7_6041_UN,CC1=CC3=C(C(=C1)NCC2CCC([S](C)(=O)=O)CC2)N=CC=C3C,SIZCBCUAHPYBEU-UHFFFAOYSA-N
-F07F988660699E32_9C02703EC2501E6E_6038_UN,O(C1=CC(=CC=C1)[S](=O)(=O)Cl)C(=O)C2=C(CCC2)C3=CC=CC=C3,VAFCDTQTPKZEEP-UHFFFAOYSA-N
-F16A4CF229B2A907_AD9FBC1E21F3B320_6041_UN,FC2=C1N=CN=C(C1=CC=C2)NC3CCN([S](CC)(=O)=O)CC3,VBDHSBFUQXTXOD-UHFFFAOYSA-N
-F29ED6579D6BC0C4_AA9B357BE5790968_6035_UN,CC(C)C1(CNC1)OC3=CC2=C(OC(CC2C)=O)C=C3,XEXOXORDQGLOQW-UHFFFAOYSA-N
-F33877EAB28F7C1F_0B3A0D665632E038_6038_UN,N(C1=C(CCC1)C#N)C(=O)C3=CC=C(C[N]2C=CC(=N2)[N](=O)=O)O3,JNSYUKBASNJHHS-UHFFFAOYSA-N
-F34BB1F02934E485_42328FBD998CBADF_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)N=CO3)=O,IRFXMUZGPGZNHA-CQSZACIVSA-N
-F3F4FB57443E7D83_BE2FE617B7192452_6038_UN,C[C@H](OC(C1=CC(=NC2=C1C(=O)NN2)C)=O)CC(=O)N(C)C,QZGIOFYROCXJOD-QMMMGPOBSA-N
-F60856471B86E510_9FC933FBACCBBCEE_6029_UN,CC1=N[N]2C(=C1)C(=NC=C2)N3CC(C3)N[S](C4=CN=C(I)[NH]4)(=O)=O,NIUZWVGVTYDRCM-UHFFFAOYSA-N
-F93F8067D494EFE3_B8036052C09D459A_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,OEQCJXAFCPCAJR-UHFFFAOYSA-N
-FC6D598A50ED5827_4A07EDB4EE4E015F_6041_UN,C[N]1C(=CN=C1N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[S](=O)O,QYUSEAWWRDMPNP-NSHDSACASA-N
-FDB5F024FE8B2D98_0ACCD60A9DDAADD9_6004_UN,C1(=CC(=CC=C1)C(=O)C2CCC2)C3=C(OC)C(=CC=C3)O,LHOSVQAGVMJMFZ-UHFFFAOYSA-N
-FEF0ECA0B19F59D7_7ABA5D71AE247E4E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(C)(C)C2)=O)C=CC=C3,UCTPVTOQYHWKJA-BXUZGUMPSA-N
-rxn:1:40714:24405,C[C@H](O)[C@@H](C(=O)O)N1CC(c2cn(CC=Cc3ccc4c(c3)CNC4=O)nn2)CC1=O,FUQPRCXTBISCCF-LFVXAEFHSA-N
-rxn:1:41061:5774,COc1cc(C=C2C(=O)ON=C2C)ccc1OCc1cn(CC=Cc2ccc(C=CC(=O)O)cc2)nn1,JAEVVZMTIWQGAF-UHFFFAOYSA-N
-rxn:1:43415:24867,CC(=O)C=C(C)N1CC(c2cn(CC#Cc3cccc4c3C(=O)C(=O)N4)nn2)CC1=O,AMNKPEKFNBVLHE-UHFFFAOYSA-N
-rxn:1:44776:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CCC#Cc3cnc(N)c(C(=O)O)c3)nn2)CC1,MBTLZVUIJRFYPY-UHFFFAOYSA-N
-rxn:1:49477:21172,Cc1cccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4cc(C)cc(C)c4)CC3)nn2)c1,VZWOUGRGMHOEAB-UHFFFAOYSA-N
-rxn:1:50435:24326,CC1CCN(C(=O)COc2cccc(-c3cn(CC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)c2)CC1,CJBWGLRPLSMYIX-UHFFFAOYSA-N
-rxn:1:62922:2486,CC(C)c1ccc(N2CC(Cn3cc(C(C)(C)N4CCS(=O)(=O)CC4)nn3)CC2=O)cc1,OLDXQYZEFIEYKU-UHFFFAOYSA-N
-rxn:1:63291:25053,CCc1cccc(CC)c1N1CC(c2cn(CC3CC(=O)N(c4ccc(OC)c(F)c4)C3)nn2)CC1=O,INXXIZLMZJDZST-UHFFFAOYSA-N
-rxn:1:64516:25620,Cc1cc(C)c(N2CC(c3cn(CC4CC(=O)N(c5cc(Cl)ccc5O)C4)nn3)CC2=O)c(C(=O)O)c1,GMKBGNDRGBPREC-UHFFFAOYSA-N
-0303B291BBF2C494_1007B47635B2F409_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C([S](F)(=O)=O)S3)(=O)=O,HJFOWLSYFYMHJJ-UHFFFAOYSA-N
-044044767E114D99_65373568B35EE5C5_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3(C(N(C)C)=O)CC3,FSENKICYUYJYHP-UHFFFAOYSA-N
-05A803C539666EA0_C34DCFCF9554E7E6_6029_UN,N(CCOCCCC=C)[S](C1=CC=C([S](Cl)(=O)=O)O1)(=O)=O,CXOLYEUWVBWPKO-UHFFFAOYSA-N
-0699A8BD058D6C34_2B736C10538F717C_6041_UN,OOC(=O)C1=CC(=CC=C1)N[C@@]2(C)[C@@H](C2)C3=CC=CC=C3,FNVWLIMGPUMYJT-DOTOQJQBSA-N
-073C7B97D60CBA42_F225381DC84994C1_6038_UN,CC(C)[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,HZGJTLBAZILBBG-ZETCQYMHSA-N
-07E293717122949D_1999305D4A138AB2_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,HCMGNRFQXUKSLG-UHFFFAOYSA-N
-07EDF613E6B9B294_FCF215CDBFE0100A_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,ZAMZKIALEBMFSC-UHFFFAOYSA-N
-09B794BC7DB40682_53231C755F2EC6E0_6041_UN,FC1=C(C(=CC=C1)NC2=C(C3=C(C=C2)C=CC=C3)[S](=O)(=O)O)C4CC4,BCAZONGLXWLZRI-UHFFFAOYSA-N
-0A579CB6B441C7D0_CEC1384CA006258D_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CC3,SVFQFSQINCHOTK-UHFFFAOYSA-N
-12449276DCA86927_27CCAA6D837591EC_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC3COC4=C3C=C(C)C=C4,PAPTXVGKRNJQOB-UHFFFAOYSA-N
-143E884C5269ADF4_AB47D8E66DDF70CD_6029_UN,N(C1(CC1)CCO)[S](C2=CC=C(C(C)C(F)F)C=C2)(=O)=O,SSRATWAVROOARY-UHFFFAOYSA-N
-14CDA034F612960E_368FCC05D15D0343_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC3=NC=CC(=N3)C#C[Si](C)(C)C,WGRAHRMTZYISAY-UHFFFAOYSA-N
-15C1454DAA096D40_B4141319EB59C68A_6041_UN,FC1=C(C(=CC=C1)NC2=CC3=C(C=C2)C=C(C=C3)[S](=O)(=O)O)C4CC4,CEAMTGIXNDRAJE-UHFFFAOYSA-N
-16B569F751BA1950_F26B8B5EAD4074E6_6038_UN,CN3C(=O)C(=C(NC(=O)C1=CC=C(C=C1)N2NN=NC2=O)C34CCCC4)C(=O)N,NGSNLZUPRDBDJQ-UHFFFAOYSA-N
-16D9685C2B26AB03_550F5787C42C61FB_6041_UN,CC(C)C1=NC(=NC(=N1)NC3=CC=C(N2CC[N+](C(C)C2)(C)C)C=C3)N(C)C,OCFMSKFXZZHDCQ-UHFFFAOYSA-N
-17532336D4343418_1458305D2D5AB8B3_6041_UN,COC(=O)C1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,GLJHQUJCQQURQU-NSHDSACASA-N
-17AB5C0E6D078873_A7AEE61F3974A089_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(C(C)(C)C)C=N2)(=O)=O,IXLWKSWZZHOYOW-UHFFFAOYSA-N
-1866A509803D6F17_D5A51E7E6A007C0D_7017_UN,NC1=CN=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCN(CC([B-](F)(F)F)=C)CC3,JFALSQCYBPIVKJ-UHFFFAOYSA-N
-195B0C4D34C15794_BA2BC970A050E6EB_6026_UN,CC1=CC(=CN=C1)[S](=O)(=O)NCC3(C2=C(C=C(C)C=C2)C)CCCC3,RRSHZHXYTZADAD-UHFFFAOYSA-N
-19ABA9A28792CBC2_DE25B88F4C5100C5_6029_UN,N(C1=C(C2=C(C=C1)SC=N2)[N](=O)=O)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,CSMBDMIYIKVSHK-UHFFFAOYSA-N
-1C11444E54354F69_B50482BDCDA59D19_6036_UN,CN2C(=C(CN([S](C)(=O)=O)C1=CC=C(C=C1)B(O)O)C[N]3N=NN=C23)C,FBJWCOJKVANGSG-UHFFFAOYSA-N
-1D3C309293718C0E_7C3EB3E69E39F5B9_6034_UN,CC1=C(SC(N1CC2CN(C)C(O2)=O)=N)C3=NC=C[N]3C,OBXYHYCFGYVDKR-UHFFFAOYSA-N
-1D5BC016F8F4F3A6_0AD765105D020DA5_6004_UN,COC1=NC4=C(C(=C1)C2=CC(=CC=C2)C3(O)CCC3)C=CC=C4,WPSUZTDJOXPIDL-UHFFFAOYSA-N
-1D77714F5F5C8418_B3163E732B11E68A_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(C(C)=O)C(=C3)C)C,SUSWJVWSGXRAAW-UHFFFAOYSA-N
-1DF58CCE0F85EBEB_CC7F464F3F7530F2_6041_UN,COC1=C(C=CC(=N1)NC(CC(=C)C(=O)O)C(=O)O)C(=O)C,URKKCAYTBNXSDJ-UHFFFAOYSA-N
-1FF1ACC5AA866533_4F63C75B214FA777_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC=C(C=C4)[S](=O)(=O)N5CCCCC5,XWVBLEKTJLYUDM-UHFFFAOYSA-N
-203855E2C760C273_C8BE1F9DC19EDF2D_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=NN=C(CC2=C(F)C=CC=C2)S3)(=O)=O,VNGKAAJVNQHFRK-UHFFFAOYSA-N
-260E31E5C785B2F2_89835B77B285A882_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([N](=O)=O)C=CC(=C3)[S](=O)(=O)Cl)(=O)=O,GJSQOUBQNAGAHQ-UHFFFAOYSA-N
-26D42B9AE6A12D8F_E7541D433C94CD81_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C4=CN=C([N]3C=CN=C3C)C=C4)=O,BJIWBUGEPLEUED-UHFFFAOYSA-N
-280C85706E2D4002_9DE2DBA5E700BF0F_6029_UN,N(CC(CC(=O)O)C(=O)O)[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O,IYRNOOUYSKPVAR-UHFFFAOYSA-N
-28E93663FEA08A1A_E062AAE3BE3BA88C_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(CCC[Si](C)(C)C)=O,ZTABNGYAPQPMAI-UHFFFAOYSA-N
-2A53E1C33A740A07_4B50B270A6497081_6041_UN,C1(=CC=C(C=C1)C2CC(=O)OC2=O)NC(C(CCC)C)C(=O)O,JMASGPJVXDASAM-UHFFFAOYSA-N
-2BEDB32C87BE0BC4_99CC4E0F7C68282A_2875_UN,N[C@@H]1CC[C@@H](CC1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,UMBRQOGXZVBBNQ-OKILXGFUSA-N
-2C9B0DC1C6E32266_FDF06B7818FCB7C7_6038_UN,COC[C@@H](OC(C2(C1=NN=C(C)[N]1CC2)C)=O)C[N]3C=CN=C3[N](=O)=O,JWNGIZZRKNSKPA-VPHXOMNUSA-N
-2DC669E364D08B69_CE0911C663BCD38E_6038_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C(CC[P](C)(=O)C)=O,JWYZEQWONBERND-UHFFFAOYSA-N
-2DEEA74ECB442DB3_09C1D6DD6AC6AD41_6004_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C#N)C2=CC=C(C=C2)C3=C(C=CC=C3)F,NBUFOOZKERCCJX-UHFFFAOYSA-N
-2FA6515C35005CCA_E2F2E52695FD8F4F_6041_UN,C[N]1C=CC2=C1N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,UOJUVIQLKIXPGH-UHFFFAOYSA-N
-2FED56068CF6A788_C41AB175FF81CA0E_6038_UN,CC(C)CC(NC(C1=CC(=C(OCOC)C=C1[N](=O)=O)OC)=O)C2=NN=N[NH]2,ALPLGDHNDOBWSQ-UHFFFAOYSA-N
-3108A06A6BA4E523_62C5A0DE630014C7_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3([S](N(C)C)(=O)=O)CC3,BQQZDWWTCZJWGH-UHFFFAOYSA-N
-32CF80D7617A7D7B_40A6CD890F408FA1_6026_DP,O=[N](=O)C1=C(C=C(C(=C1)F)Br)[S](=O)(=O)NC3=CN=C(N2CCNCC2)N=C3,ZYGKKQLQGTYOSO-UHFFFAOYSA-N
-33E18778DFA8953B_0B3F351533ED5880_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(CC3=CSC(=N3)C)O4)(=O)=O,QNKKRBWIYFNDAU-UHFFFAOYSA-N
-3687CA7844B1B97A_FA4A9C7BA072F323_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CNC4)C5=NC=CC=C5,AIBOGMZLSIKJBL-UHFFFAOYSA-N
-37D3AAFC99BEB37E_7BEE19C45E3D55E3_6036_UN,C1(CN(C1)C2=NC(=CC=C2)Cl)N4CCOC3=C(C=C(Br)C=C3)[S]4(=O)=O,UMDCWBQBMCAQIM-UHFFFAOYSA-N
-37DF2C3AC33A84DA_01F500C5CAD38AE4_7019_UN,CCOC(=O)C2=C(C=CC1=CN=C(N(C)C)N=C1)NC(=O)NC2,QKFYCXDTMKSEFL-UHFFFAOYSA-N
-37DF93A9E252BC53_F0845E699FD6183F_6034_UN,CC2=NC1=C(C=C(C=C1)[S](=O)(=O)Cl)N2CCN3CCC(C)CC3,BSHBHFTYLNIGAG-UHFFFAOYSA-N
-387CAEC98581492F_833D20DEA946BEA1_6035_UN,CC3=C(OC2=CC=C(C1=NC(=C(C(C)=O)S1)C)C=C2)COC3=O,QEYOMZDLRLZKKL-UHFFFAOYSA-N
-3B61A8182984245A_EAC6AD1DF2A3D9E9_6035_UN,CC(OC1=C(C=C(C=C1)[S](=O)(=O)Cl)F)CC(C)CCC=C,MLZZYNQNJZBRFT-UHFFFAOYSA-N
-3B978E28F4DC9ADB_F12AF2A4B8CA6B72_6029_UN,C[S](=N[S](C1=CC=C([S](Cl)(=O)=O)O1)(=O)=O)(=O)CCCCC=C,LRDNUAPYFUUCKV-UHFFFAOYSA-N
-3E267F4EADC82FDA_426850485E460B87_6041_UN,COC(=O)C1=NC(=NC(=C1)C)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,KFSXDBAABKYZEK-LBPRGKRZSA-N
-406E8F8761881D33_7E762EC93F2949B9_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3CCN([S](N(C)C)(=O)=O)CC3,URECAAFEKGVZNF-UHFFFAOYSA-N
-40962787880C58D9_C24F3E08991EA2FC_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC3=NC=CC(=N3)C#C[Si](C)(C)C,DZIHJQQRXIYWBK-UHFFFAOYSA-N
-42D6DB89A8F2176C_32ACDF2DD6B931A2_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,ZOLOKYHERSINLB-UHFFFAOYSA-N
-4330FDDC438E3A8E_EBCE7BE9E988C52D_6029_UN,OC2(CC1=CC(=CC=C1)F)CCN(C2)[S](C4=C3OCOC3=CC(=C4)CC#N)(=O)=O,WOBPKABTYPQQGD-UHFFFAOYSA-N
-44F5923DA33431E9_539F68E9EE23FB8B_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(O)NC(=O)C=C)=O,YZRXZCGHDSQVCD-UHFFFAOYSA-N
-4670D96B031D0A80_D874ADE24921BC75_6038_UN,CSCC[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,MSYCGBCTBZCTCJ-ZETCQYMHSA-N
-47098F6901E7368B_50301B47724213CD_6035_UN,O(C1CN(C1)C2=NC=C(C=C2)Br)C3=C(C=C(C)C=C3)[S](=O)(=O)O,SMDGPTMOOGJRDF-UHFFFAOYSA-N
-48920397568C5474_87D3D48041F129A0_6038_UN,CC(C)OC1=NC=C(C=N1)NC(C2(C)COC(=O)OC2)=O,WOAVZXJPFNBZQZ-UHFFFAOYSA-N
-4997D5D2FE70670F_765DC83F8C454636_6029_UN,CC1=CC=C(C=C1)C4(N[S](C2=C(F)C=C(C=C2)C3CC3)(=O)=O)CCCC4,GFCUCSXGTPJGOL-UHFFFAOYSA-N
-49A41B3338E326BE_752B7A45D978819A_6031_UN,O(C(=O)CN1C(=O)COC2=C1C=CC(=C2)Br)CC3NC(=O)NC3=O,SMFGINGDHCGQTF-UHFFFAOYSA-N
-49DA3772E90F3375_1BC7CE85E5862816_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,WJTUBIAVGAOVNL-UHFFFAOYSA-N
-4B9E22227215625A_ECDD92F38E221760_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCNC4)C,AXIFGUIFOKYBGY-UHFFFAOYSA-N
-4BE4CEA217D9A58E_73D36509B1378880_6038_UN,N(CC1=CC(=CN=C1)F)C(=O)C=CC2=CC=C(C=C2)[S](=O)(=O)Cl,TZBGFWHRKWWRHC-UHFFFAOYSA-N
-4C5B574F55C91C27_8805C76203771C49_6005_UN,F[S](=O)(=O)C1=C(C=CC(=C1)C2=C(C=CC=C2)C3CCC3)Cl,BBODJJSNHLYHIX-UHFFFAOYSA-N
-4C9C7C39968AD342_7718ED43F070D7E1_6038_UN,N(CCS[S](=O)(=O)O)C(C1=C[NH]N=C1C2=C[N](C)N=C2)=O,IQUGSNWQMSISTI-UHFFFAOYSA-N
-50115AD74C845520_8888039F279BB1D7_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2CC2)C(=O)C3=CCCCCC3,AJYHUFJLAXBFDE-UHFFFAOYSA-N
-5090EF4547AE9EC4_CFFB4A9300A9AC5D_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=CC=CC(=C3)[S](F)(=O)=O,ZAUDOCHWWIJKML-UHFFFAOYSA-N
-5225527255DCAEB6_9432D572018EB61C_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=C(OC)C=CC(=C3)[S](=O)(=O)N4CCN(C)CC4,FMMGHQXZZGMOBN-UHFFFAOYSA-N
-52DFE96205647271_9E647AFF41AC6EC7_6029_UN,CCC(C)(C)N(CCC#N)[S](C1=C([S](Cl)(=O)=O)OC=C1)(=O)=O,BREHLLJGFGIBMH-UHFFFAOYSA-N
-53CFAFBD6D27C850_51CE98BA609FFC55_6038_UN,N(CCOCC[S](=O)(=O)F)C(=O)C2=CN1C(=NCC1)C=C2,GQKVCSOFPVFXLE-UHFFFAOYSA-N
-549390C0599FA92C_3CF4A34D8C06DA17_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=N[NH]C(=C2)C(N)=O)=O)C=CC=C3,PEPMBZMGEPTVBT-PSASIEDQSA-N
-55EFCAD42BEBBAF5_1F37AE6D0FFAE866_6029_UN,N(C1=C(Cl)N=C[N]2C(=NN=C12)O)[S](C3=C([N](=O)=O)C=C(C=C3)C(=O)N4CCOCC4)(=O)=O,JAPKSPXVYLBAOP-UHFFFAOYSA-N
-5815F44BBDCC1E7B_2E4531D9DBA5EBDE_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=CC=C(C=C2)C4CN3CCSC3=N4)(=O)=O,URXPUAHVJPSDDF-UHFFFAOYSA-N
-5940EAC37E4799B0_D1A6B8AD12AB0547_6029_UN,O=[N](=O)C1=C([N](N=C1)[S](C2=C[N](C)N=C2I)(=O)=O)C3CC3,SAXKESLWLAXAEM-UHFFFAOYSA-N
-596374F72C0F5746_088702F355219660_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C=CC=C3F,AOCKITNXLKCPTC-UHFFFAOYSA-N
-5B167287D95E5306_26D88FF60404E790_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=NN=C2)C)=O)C=CC=C3,QALZAGPKWIHYLC-BXUZGUMPSA-N
-5B59B1ABF4DA2D0A_8A97E58C9CBB8809_6038_UN,N(C1=CC2=C(C=C1)N=CC=N2)C([C@@H](C)CC3=CC=CC=C3)=O,SZJZEQZLOASXFE-ZDUSSCGKSA-N
-5D570346076E7CE9_7EA822098590AF4A_6038_UN,CC1=CC(=C(C=C1)CCCNC(=O)C2=CN=C(N=C2)N3CC[S](=O)(=O)CC3)C,WJPSHZBEBKPFJS-UHFFFAOYSA-N
-5EBFDCFD009B50F8_562CEA299EC7CD38_6041_DP,N1CCCN(CC1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)C(=CC=C4)[S](=O)(=O)O,ABLHSVYFOSFUOA-UHFFFAOYSA-N
-6076F18304329C2C_8083C893E5BA4774_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=NC=C(C=N3)I)(=O)=O,FIRPCRMJQUVQDR-UHFFFAOYSA-N
-60E38938BD3E41D0_A0FDB09891313A0F_6038_DP,C[N]1C(=NN=C1C2=CC=CS2)COC(C4=NOC3(CNC3)C4)=O,OXFQOLSBEYIYFK-UHFFFAOYSA-N
-617E3B9FF149F687_0A29AF46E9645C14_6036_UN,C1(CN(C1)C2=NC(=CN=C2)Cl)N4CCOC3=C(C=C(Br)C=C3)[S]4(=O)=O,PAEPBMYCGJGYOU-UHFFFAOYSA-N
-6182A76E549C46EE_27920FD2FBE005DA_6035_UN,CC(OC1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(C)CCCC=C,OBRCUFSGGQUAAP-UHFFFAOYSA-N
-626EDF3DE3DF6A16_FC1165EC17CCEA1A_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=C[NH]N=C2C3=C[N](C)N=C3)=O)C=CC=C4,XRULWGDRUCSEII-IAQYHMDHSA-N
-62D1C30CAC057845_D075784CEC5E6C33_6029_DP,OC2CC(CCN[S](C1=CC=C(C(F)CBr)C=C1)(=O)=O)C2,BKYBUWCUOUGTGR-UHFFFAOYSA-N
-664E122262462A23_326E02582FDF0F15_6038_DP,CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OC(C3CNNC(C3)=O)=O,FQZDWKLLWJAJNM-UHFFFAOYSA-N
-67AEE005011E9821_FCBED8991D06A3B2_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[C@H](CCC(=O)O)C(=O)O,GGWNOXCDSOBECR-SNVBAGLBSA-N
-689B762CEA2072F7_A7B57B7A6149AA59_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN=C(C)C=N2)=O)C=CC=C3,LOXFREVJVBCNNL-DGCLKSJQSA-N
-6978ADE5D2BE0390_692AE2F96069DFAC_6034_UN,C1CN(C1)C3=C2N=CN(C2=NC=N3)CC(C)(N)C4=CC(=CC=C4)[N](=O)=O,POJNNBZLUDWAFU-UHFFFAOYSA-N
-6985EA974950289B_0824796E1C6275B5_6039_UN,O(CCC1(CCC#C)N=N1)CC2=C([N](=O)=O)C=CC(=C2)F,ODSUNMJEBJWRSJ-UHFFFAOYSA-N
-6985EA974950289B_734FBF589EC1388B_6039_UN,O(CCC1(CCC#C)N=N1)CC2=C([N](=O)=O)C=CC(=C2)F,ODSUNMJEBJWRSJ-UHFFFAOYSA-N
-6A32304B38F33487_6DE315DE0F047E66_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC4=CC(=CC=C4)[S](=O)(=O)N5CCCCC5,VSGCROTUSCXVBI-UHFFFAOYSA-N
-6C19D574312B6A88_BDFDE42E7C209F20_6038_UN,CC(NC(C1=C[N](CCC(C)C)N=N1)=O)C2=CC=C(C=C2)N(C)C,RPRUQQVUDMZWHG-UHFFFAOYSA-N
-6C2CE512D8A9C05D_9D073CF615B6D003_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=CC=C(C=C2)Br)[N]3C4CCCCC4)(=O)=O,KRDHLWZRJGMDFN-UHFFFAOYSA-N
-6EA34B38C8DF95B0_701C9CFB8C014755_6034_UN,CC(Cl)C1=NC(=NC(=N)N1CC2(N)CCC3=C2C=CC=C3)N(C)C,BCPWLVMADZJBIP-UHFFFAOYSA-N
-704AFC0204C71C70_1AAC67C21F1D7D5C_6039_UN,CC2=CN1C(=NCC(C1)OCC(=C)C[S](=O)(=O)Cl)C=C2,CQVIQFLPJKHHSC-UHFFFAOYSA-N
-70CCBC0489CF630D_32A5AD2E156F8BB2_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=C[N]2N=CC(=C2N=C3)I)(=O)=O,QVGRFIIGCAHEMS-UHFFFAOYSA-N
-719583106C28DBF4_CBDBB5A5625D2C97_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3=CCCCC3,INFKMZQWUFGXMS-UHFFFAOYSA-N
-72A0CB03BBCC7BCC_9965B578A6A9F5E6_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=C(OC)C=CC=C3Cl,YMAUHRMGYCSJAP-UHFFFAOYSA-N
-72FE44C4856452E3_D429E379D3AA23B9_6038_UN,N(CC1=NC(=O)ON1)C(C2=CN(CC)C3=C(C2=O)C=C(C(=C3)N4CCN(CC4)C(=O)C)F)=O,FZJKBAGIIQIVCY-UHFFFAOYSA-N
-7551A7A393AB19AA_839BF24E9F7F07F5_6038_UN,N(C1=CC(=CC(=C1)F)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,LQBXSQMYVWSNLW-UHFFFAOYSA-N
-7A47CB703C959770_53228216EEF92149_6038_UN,CC1C(CC2=C(O1)C=CC=C2)NC(=O)C3=CN=C(N=C3)N4CC[S](=O)(=O)CC4,LXYQMLLYTSRCQV-UHFFFAOYSA-N
-7AB4FF9908985BD2_2FBC6249696ECBA8_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCC4,IEFISFNRYOJMCD-UHFFFAOYSA-N
-803C5B45860E05A9_83F744F6F2689165_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3(C[S](C)(=O)=O)CC3,JAUHYHDAKLBHML-UHFFFAOYSA-N
-8433F03658A250C5_D5252D275336C590_6035_UN,O(CC1=C(N=CC(=C1)[N](=O)=O)Br)C2=NC(=N[NH]2)N3CCC(N)CC3,GQLRZDAMNAJLNF-UHFFFAOYSA-N
-8563E633F695C457_CCE48E2098F55600_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCOCC3,DTIYSQUZXBIDDH-UHFFFAOYSA-N
-881EDE799E801A00_1272739BEF7B0AAA_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,VSYUIORQHQDHAZ-UHFFFAOYSA-N
-88E6224841A2E145_C6774CDA74285759_6038_UN,COC1=C(C=CC(=C1)CCC(=O)C)OC(C3=CC(=C2C(NNC2=N3)=O)C)=O,KSQDTIOCFFGRKE-UHFFFAOYSA-N
-8D929698BF363B37_5F5245A85505993F_6041_UN,CN(CC1=C(C=CC=C1)NCC2=CN=C(N=C2)N3CCOCC3)C(=O)CC(=O)C,JOUJZWZZTLAZEP-UHFFFAOYSA-N
-9028FAA284F9AD85_1C8237E013EC5499_6038_UN,CC(NC(C12CC(C(OCC)=O)(C1)C(O2)(C)C)=O)C3=C[NH]N=C3,LKAPHDMNLWWFDS-UHFFFAOYSA-N
-92241F784870C38D_219877A95AF6A056_6038_UN,N(CCCOC1=NC=CC=N1)C(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,PZMLSESPRJVTOT-UHFFFAOYSA-N
-9358AC96C301E870_E7D6DA27CE53F5F8_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC=C2)C(C3=C([N](C)C=C3)C4CCC4)=O,NAUQPFLVPYUYPK-UHFFFAOYSA-N
-936656EFA2AC5957_559B80F7C2607F4C_6038_UN,CC(=O)NC1=C(C=CC=N1)NC([C@H]4CC[C@@H](C[N]2C=NC3=C(N)N=CN=C23)O4)=O,VNOHRBINRZVKKO-WCQYABFASA-N
-9462F8181F97ABA7_297AA6A0819B0717_6041_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)NC2C(C)CC3=C2C=C(C=C3)F,KGSMWXUSNNIKME-UHFFFAOYSA-N
-960A94E913F03A0B_9729F1C8669C46A3_6041_UN,CC[N]1C=NC2=C1N=CN=C2NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCCC4,YROXJDXMDOMMEJ-UHFFFAOYSA-N
-968B4AD5AD4FF256_DB2AA320BDF71749_6029_UN,N(CCOCCC=C)[S](C1=CC=C([S](Cl)(=O)=O)O1)(=O)=O,DHVKNDNLFHPTSK-UHFFFAOYSA-N
-98EC3C7B1EA83CE3_EA379FBC16011D4B_6041_UN,OC(=O)C1CN(C1)C2=C(C=C(C=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C)C#N,XFTDYCZFUAKGDY-UHFFFAOYSA-N
-9A47B237B23F3396_240BD37851D88A19_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C=C(C)C3=CN=CC=C3)=O,WEDZLLAGHJRTKM-UHFFFAOYSA-N
-9A8ED8CFD660F0A0_764EF1DD080E6AC4_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CC(C[S](C)(=O)=O)C3,WCRSXHBCNAPJEG-UHFFFAOYSA-N
-9AA0796D206125D4_B3640C0806A19D9F_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4(C(C)=O)CC4)=O,HXRUDGBZPMOZIV-UHFFFAOYSA-N
-9B10EE0DE3EC2477_3818FCA24D59FB4F_6029_UN,CCC1(CN(C1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)F,NQJWJXIAXUFIHV-UHFFFAOYSA-N
-9C5F5C4F6A8A9D7E_38D9D439BB2ED2BE_6041_UN,C2(=C1N=C([NH]C1=CC=C2)CC#N)NCC3(CN(CC)C3=O)C,JTKCJARHPXQWFI-UHFFFAOYSA-N
-9CA947AB16155CDB_F6E0E32B373F8909_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCCC2)F)C(C3=NC(=NC4=C3C=C[NH]4)C)=O,DROBIRBGZBJXOP-UHFFFAOYSA-N
-9FA738F5AD2981DE_481CF4D446ED9B2A_6004_UN,COC1=NC4=C(C(=C1)C2=CC=C(C=C2)C3(O)CCC3)C=CC=C4,AXZBWIUNCYILJE-UHFFFAOYSA-N
-9FE6B06FAF5E5E03_0E69B22EFAFEBD4F_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NC2=C[N](C[Si](C)(C)C)N=C2)N3CCOC3=O,BDWLSBAEQOHPMH-UHFFFAOYSA-N
-A41B31E3256FBE1C_3A14E701F6F56844_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCCC3(C[S](C)(=O)=O)CC3,CUMUHYGGCBPHNB-UHFFFAOYSA-N
-A57508B79EC61C70_9BBCCF653D118869_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C3=N[NH]C(=C3)C4=C(C=C(C)C=C4)C)=O,KNTSBMGMPALVQV-UHFFFAOYSA-N
-A5ABEF35361FEEB7_32170AC3EDC96FA1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3C(CC)(C3)C,RGIAOGKQWFFJSN-UHFFFAOYSA-N
-A8BBA01F8584779B_8A4031BB9CE460F4_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CN2C=C(Br)C=CC2=O)C=C3,UIVLLJSKYPMNES-UHFFFAOYSA-N
-AA881FD883AAFE54_79D611A8881762E5_6034_UN,ClC2=C1C(=CN(C1=NC=C2)CC3C(=C3C)[Si](C)(C)C)CC#N,GQZZANCEMIURLR-UHFFFAOYSA-N
-AA92417CC051DC3F_9E88AA93EA2D3D98_6035_UN,COC[C@@H](OC1=C(C(=N[NH]1)C)C#N)C[N]2C=CN=C2[N](=O)=O,IZEJQFOBDXXCJW-VIFPVBQESA-N
-AAE4100914643029_B1FF27914C0C53F2_6038_DP,OC[C@H](NC(C1=C(C)C=C(S1)NC(=O)C2=CC=CO2)=O)C(=O)O,ACJFAEKJWIIJTI-QMMMGPOBSA-N
-AB5128BE33819D0D_4A76BD496F5E20F8_6038_UN,O(C1=C[N](=CC=C1)=O)C(C(CC)SC2=NC(=N[NH]2)N)=O,MYNAHURFNRZZQX-UHFFFAOYSA-N
-ADD1722057A2EDA3_EDA4DE1D8C8CC1B5_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,NSJYCBKYWDZAQN-SFHVURJKSA-N
-AEEE8ACBA06FE721_95F13342D4C86AF7_6029_UN,CC3=CC(N[S](C2=CC=C(C1(F)CC1)C=C2)(=O)=O)CCC3,PEJIJXWBYKQWEV-UHFFFAOYSA-N
-AF5098F58AC0D26B_87B01AD67DB7C45E_6031_UN,C[N]1N=NC(=N1)C2=CC(=C(C=C2)Cl)C(=O)OCC4C(C3=CC=C(OC)C=C3)N(C(CC4)=O)C,BAHRJZZPSZUNMF-UHFFFAOYSA-N
-AFEF20BF9BB6F459_106E35E9F387154D_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC3=C(C)C=CC(=C3)[S](=O)(=O)N4CCCCC4,MGISWUOIMZQSHX-UHFFFAOYSA-N
-B5053766AC6A8382_83F9BB80B6282E09_6038_UN,CCCOC(=O)C[C@@H](CNC(C1=CN=C(NC(C)=O)O1)=O)CC(C)C,BQUCAYRZNUBISF-ZDUSSCGKSA-N
-B7AA2748C1A05B64_5C97E58799C984F6_6038_UN,CC(OC(=O)C[N]1C=CC(=N1)[N](=O)=O)CCCCN(C)C,KUEQFKSFFYSYDI-UHFFFAOYSA-N
-B8F39AF3373A04F4_E2EBD6976AAF1760_6039_UN,CC(C)C2=CN=C(COCC1=C(C(OCC)=O)CNC(N1)=O)S2,TWMGIOVIFOQMTE-UHFFFAOYSA-N
-B9DFE9E8528B0865_E86394F5CC6F7F96_6038_UN,CC2=NN=C3CCC(CNC(CC1=CC=C([Si](C)(C)C)C=C1)=O)C[N]23,RMJXQRQYDKKBBG-UHFFFAOYSA-N
-B9FC884D519BC85D_798123FC3B042987_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@@H]3CCOC4=C3C=C(C)C=C4C,UIMVGUSEHYDMBG-GOSISDBHSA-N
-BB3864CFB5B083E6_4410BFA598FD39AB_6038_DP,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C([C@@H]4CC[C@H](C(O)=O)O4)=O,SJHGHSZHZDRLCC-UONOGXRCSA-N
-BCB557839F421E81_62BF75B7758CF888_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@H]2C(C)(C)[C@H]2C3=N[NH]C(=N3)N)=O,ONHBBPLVWMABIV-ZJUUUORDSA-N
-BEEFABB0816F1E06_A4BD99E8DF50D4D6_6006_UN,FC(F)(F)C1=CC(=C(C=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3CCC3,QKIWUKCWTIKIIK-UHFFFAOYSA-N
-BF520CEC53689211_382A277D2B4D838C_6038_UN,CC[C@@H](NC(C2=CC=C(C1=CN=N[N]1C)C=C2)=O)C#N,KBSDUQYXAVSANT-GFCCVEGCSA-N
-C01A82A5BAA51437_9D7F0964ADB04B23_6034_UN,BrC1=CC(=CC=C1)N2N=CN(C2=O)CC#C[Si](C)(C)C,FAGDVQWLXXXGPJ-UHFFFAOYSA-N
-C026F08FC4E24E45_82E590D165FB621B_6038_UN,CC(NC(=O)C1=C(C2=C(C=C1)OCCCO2)[N](=O)=O)CC3=NN=N[NH]3,LPHPDHRTLRJEBD-UHFFFAOYSA-N
-C0BF883D7FAB8E35_206D088853E5DD53_6038_UN,O(CC1COC(=O)O1)C(=O)CC2=CSC(=N2)NC(=O)C3=C[NH]N=C3,UPXNKKLJVXGJBV-UHFFFAOYSA-N
-C1DBF9A66B232402_5DBF2714DF4213C6_6003_UN,CC(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2CC2,JOZQSYKWBPBHOB-UHFFFAOYSA-N
-C243C2D29872DE00_1222929946EB8689_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,ZFTKQJWTRUFOHP-UHFFFAOYSA-N
-C6EC874310789AF1_DEF6775F35584DC4_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCCC#C[Si](C)(C)C,DVVXIFOSOLHWAK-UHFFFAOYSA-N
-CA80142A3B554064_952D1B55DA465DD3_6038_UN,N(CC1=CC=C(C=C1)[N](=O)=O)C(C2=C(C)N=C(N=C2)N3CCOCC3)=O,VMDIUSDRYIRRJZ-UHFFFAOYSA-N
-CA969B041C088905_8E87ECF40A5887A9_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C3=CC=CC(=C3)C(C)=O)=O,MAGPHGBPDVCULZ-UHFFFAOYSA-N
-CDBB8DF63E28B160_74C9761F15E5C161_6003_UN,O(C1CN(C1)C2=NC(=CN=C2)Cl)C3=C(C(=CC=C3)N(C)C)[N](=O)=O,UYYZHYCPUQVWLD-UHFFFAOYSA-N
-CFF5B9A5294EC062_4262358FCBE315D6_6041_UN,C[N]1C=CC2=C1N=CN=C2NC3=CC(=CC=C3)[S](=O)(=O)C4CCOCC4,DMRBRKVZELAEOW-UHFFFAOYSA-N
-D235E58D97B3D879_6A37D82A9740BD91_6038_UN,CCOC(=O)[C@@H](NC(CN1C(CC(C)(C)O1)=O)=O)CC2=C[NH]C=N2,UEAJDEWJHJFONU-NSHDSACASA-N
-D2ECE361F2D537EB_D5F08A670B08B9D5_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CCC2=C([NH]C3=C2C=CC=C3)C4=CC=CC=C4,RPHGAUIMAREZRK-UHFFFAOYSA-N
-D40688B0D76611FF_913368246EB2C6DE_2875_UN,FC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C3(N)CCC3,NYJDYNIWROZTTR-UHFFFAOYSA-N
-D730A8E924D68FB8_42F9FE0A5E7B3147_7013_UN,N3=C(C2CCC1CC1C2)[N](C4=C3C=C(C=C4)[N](=O)=O)C5=CC=C(C=C5)F,BLPWDTMFBRKZKA-UHFFFAOYSA-N
-D7D1E9AF66FAB7DD_17821A0184380C85_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCCC3(C[S](C)(=O)=O)CC3,ALCYSEPRYIAKMV-UHFFFAOYSA-N
-D7EB0EFC82332DCC_425AA6996C3010B7_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCOCC2)[N]3C4CC4)(=O)=O,FUVGSWYINYPCTB-UHFFFAOYSA-N
-D82B2511369D0E0D_C95172B2CC5087D1_6041_UN,CC1=N[NH]C=C1NC3=C(C(N2CC(C)OC(C2)C)=O)C=CC=C3,NSDDJAJGTSLESK-UHFFFAOYSA-N
-D9519F3B7B74D62C_008B1E61B48DCBC5_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=CC=C(CN3CCN(C(C)=O)CC3)C=C4,XXAXKBUHTOKNQS-UHFFFAOYSA-N
-DBAD8C018C923FE0_B24358D138C3374E_6038_UN,S(C1=CC=NC=C1)C(=O)C2=CC=C(C=C2)C#CC3CC3,GLWSEZMALDBWEO-UHFFFAOYSA-N
-DC64DB7C102A6ACB_83CC2A7D8CFC2E5C_7019_UN,CCOC(=O)C1=C(C=CC(N(C)C)(C)C)NC(=O)NC1,KBCIQHXRTJEYCS-UHFFFAOYSA-N
-DCB25D16676CFCE5_EA4287EF88A5E22A_6038_UN,CC1=C(C=C(C=C1)C(=O)NO)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FBJWKEKQCZZRQS-UHFFFAOYSA-N
-DD226F29B7476F48_DA2AC10C9634C454_6038_DP,N1CCC(=CC1)C2=CC=C(C=C2)OC(=O)CC3=CN=NS3,PGULRDLFXDJLEC-UHFFFAOYSA-N
-DD6C9D120962119A_7DACB3D64D1E6A78_6029_UN,N(CB(O)O)[S](C1=C[N](CCC(N(C)C)=O)N=C1)(=O)=O,SEINJUBYMCBSKD-UHFFFAOYSA-N
-DE222A191EA693B3_3E984CDA5534AC07_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3([S](CC)(=O)=O)CC3,KPIRJWFDPUGWAG-UHFFFAOYSA-N
-E1CA25B6E43EB770_6B7F7C49851723C0_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)C2=CC=CC=C2)C(=O)C3=CN=C(C=C3)N4CCCCCC4,JVVQPNUPZGGLEB-UHFFFAOYSA-N
-E372B5731664C8C2_D151EABAAA91B4E7_6041_UN,CCC(=O)CC(=O)C1=CC=C(C=C1)NCC2=CN=C(N=C2)N3CCOCC3,FHMXPKNHTZJYGU-UHFFFAOYSA-N
-E5B97430510CC7EB_695C914053987A51_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)N[C@@H]3CCOC4=C3C=C(C)C=C4C,ZIRIGJIEPDDQGJ-LJQANCHMSA-N
-E60F0292A0634472_88D0C779F7D5D5EE_6029_UN,N(C[C@@H]1C[C@H](C1)O)[S](C3=CC=C(C2(C)CC2(F)F)C=C3)(=O)=O,UFDJDBHKGUJMHU-LWOYVPTGSA-N
-EACD2C11CAE9991C_AB1C9E5D34BE244B_6029_DP,OC2CC(CCN[S](C1=CC=CC(=C1)C(F)(F)Br)(=O)=O)C2,VXBFHJIAPFQSAU-UHFFFAOYSA-N
-EC47FC7E2BBF0674_12739E4EF59ABB62_6029_UN,C[S](=N[S](C1=CC=C([S](F)(=O)=O)O1)(=O)=O)(=O)CCCCC=C,LQCCEQUNGBUSBN-UHFFFAOYSA-N
-EC7A08A04D5E5B68_5F165F70A41C82F6_6038_UN,CCC3=NN=C(COC(CCC(C(=C1N(C)C2=C(N1C)C=CC=C2)C#N)=O)=O)S3,SZKJPLOCHIRKET-UHFFFAOYSA-N
-EC840B8BCE2E86EF_1D7A7667E258C3EC_6041_UN,CC[N]1C=NC2=C1C=CN=C2NCC3(C[S](C)(=O)=O)CC3,AGFKJZDNIIGSKS-UHFFFAOYSA-N
-EC863CE4F9D580CC_AF0182EEADEF5017_6031_UN,CC1=NN=N[N]1C2=C(C=CC(=C2)C(=O)OCC4C(C3=CC=C(OC)C=C3)N(C(CC4)=O)C)Cl,FNGVVWMGCHTNHH-UHFFFAOYSA-N
-EC8DDC67E2C79F57_56135B13D27920E8_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)N[C@H]3C[C@@H](C[S](C)(=O)=O)C3,VGIKNIHEZHUXFQ-TXEJJXNPSA-N
-EC9FE5EDA3AB25D3_CB0A572FD04BCFD9_6029_UN,O=[N](=O)C2=C1[N](N=CC1=C(C=C2)Cl)[S](C5=CC3=C(N=C(C)N=C3N4CCC4)S5)(=O)=O,OMGPAGQKRHZUAQ-UHFFFAOYSA-N
-EDDB65F7748EE9A8_268BE0C510BF0344_6038_UN,CC1=C2C(=CC=C1)OCC(C2)NC(C3=CN=C(N)N=C3)=O,QQFPQRJJSJHUNO-UHFFFAOYSA-N
-F0D8890BF645CAF0_F5AB84A595B9280B_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=CC=CC(=C2)COCC(C)C)(=O)=O,DGLCJVCQYVPABN-UHFFFAOYSA-N
-F4C6D96AF7DF5CB9_29116B7C66E9F2F7_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3CC#C[Si](C)(C)C,JJMJFCPWBFVDEI-UHFFFAOYSA-N
-F4FE59CE4D00A2D6_A0CF58D423C59A1B_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3(C[S](C)(=O)=O)CC3,JGLDMTQJFFYOTJ-UHFFFAOYSA-N
-F5357372E4498AAD_4DEEE4BAA1A6858A_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,AQMQFKXJVWBBRL-HOMQSWHASA-N
-F57E11ABB0B77222_DE24AC958CC1DBAC_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N3CC(OC)(C3)C4=NN=C[N]4C,KVEHGPQXAZUHHK-UHFFFAOYSA-N
-F5BB365FED077349_37B564B8440236B9_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(N(C)C)C=C3)C,KRSDNNMCVMICCL-UHFFFAOYSA-N
-F7A504ED0FFC7A52_130602F54E2775B9_6039_UN,CCC2=NN=C(COCC(C(=C1C=CN(C)C=C1)C#N)=O)S2,DCQBUSAJHFXQEL-UHFFFAOYSA-N
-F8323AC8A42314FF_B8253FF9FA39BBB1_7019_UN,C(C(=O)NC(=O)C1=CC=CC=C1)=CC2=C(C(=C(O)C=C2)O)O,GBRKRAADROBGJC-UHFFFAOYSA-N
-F887F90283F5064C_648668656CDD429E_6038_UN,N(C1=CC=C(C=C1)[S](=O)(=O)C2CCCC2)C(=O)C3=C[NH]C4=C3C=NC=N4,HUGKOLVSLHQVHS-UHFFFAOYSA-N
-F9A30198D87F2E15_E861B67158FEC66B_6029_UN,OC2(CC1=CC(=CC=C1)F)CCN(CC2)[S](C4=C3OCOC3=CC(=C4)CC#N)(=O)=O,TXNIYQQDSMZUDN-UHFFFAOYSA-N
-F9B8866663EEBD64_3AD33DC56C445329_6041_UN,CC1=CC2=C(C=C1)N=CC=C2NC3=C(OC(C)C)C=CC(=C3)[S](=O)(=O)N4CCCCC4,APAYMQGFXHLCMB-UHFFFAOYSA-N
-FAD7ACDD063C3DC6_6DF83B70586987BB_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4,XOHZMDYJSAQJFJ-UHFFFAOYSA-N
-FCCDB69053FBEF55_36DE0F1A5CE13C27_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3(C[S](C)(=O)=O)CC3,KZKVRTHZHJCYJC-UHFFFAOYSA-N
-FD904F8F874A8D5E_A465CCB8096242D4_7009_UN,N([S](=O)(=O)C1=CC(=CN=C1)[N](=O)=O)C(=O)[C@@H]2CC(=O)NC(=O)N2,FHBFLZWECMOHBE-ZETCQYMHSA-N
-FEB7073F430031F7_DC269F732FC7DFD8_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC3CCN([S](N(C)C)(=O)=O)CC3)F,UKDMZZKOMIBPBX-UHFFFAOYSA-N
-FF06AB1909A1EE87_68EA64315A42DCD2_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=CN=C(C(N)=O)C=C3)=O,VRRGFBQEKMZDDQ-UHFFFAOYSA-N
-rxn:1:46588:27126,O=C(O)c1cc(Cl)nc(N2CC(c3cn(CCC=Cc4ccc(N5CCNCC5)cc4)nn3)CC2=O)c1,VQYUMTGHXMMEMG-UHFFFAOYSA-N
-rxn:1:46630:2517,O=C1C=CC(=O)N1c1ccc(C=CCCn2cc(CC3(C(=O)O)CCNC3)nn2)cc1,YDLQASZYXLNWRZ-UHFFFAOYSA-N
-rxn:1:49230:23908,O=C1CCC(N2C(=O)c3cccc(-c4cn(CCC(O)C(O)c5ccc(Cl)cc5Br)nn4)c3C2=O)C(=O)N1,PQNUVYPKLIQGRT-UHFFFAOYSA-N
-rxn:1:49398:17806,CCCC(=O)c1cc(-c2cn(CC3CC(C)(C)C(=O)O3)nn2)c2c(c1)C(C)(C)C(=O)N2,BGUQBNMUQRTEHJ-UHFFFAOYSA-N
-rxn:1:52835:8005,Cc1ccc(NC(=O)NC2OC(=O)C(Br)=C2n2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)nn2)cc1,VXJMDUNBSALOJQ-UHFFFAOYSA-N
-rxn:1:59648:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(C(=O)COc4ccccc4)CC3)nn2)CC1,FTBVGGCHVJQLDS-UHFFFAOYSA-N
-rxn:1:61444:17807,CCC(=O)c1cc(-c2cn(Cc3ccc(C(=O)N[C@H]4CONC4=O)o3)nn2)c2c(c1)C(C)(C)C(=O)N2,ZHBGDIWXSXJVMQ-KRWDZBQOSA-N
-rxn:1:62645:17799,CCCC(=O)c1cc(-c2cn(CC3CC(=O)N(C(C)C(=O)O)C3)nn2)c2c(c1)C(CC)C(=O)N2,LAZNDUVTBCEFMC-UHFFFAOYSA-N
-rxn:1:62797:3331,COc1ccc(C(C)NC(=O)c2cn(CC3CC(=O)N(C(CS)C(=O)O)C3)nn2)cc1,DGVSEGPKZOMKEQ-UHFFFAOYSA-N
-rxn:1:62953:24721,CC(=O)Nc1ccc(Cl)cc1N1CC(Cn2cc(C3CC(=O)N([C@@H](CS)C(=O)O)C3)nn2)CC1=O,SJRQONQLHNPQJA-MHVYXZCWSA-N
-rxn:1:63095:5133,CNC(=O)c1cccc(N2CC(Cn3cc(CN4C(=O)C(CC(=O)O)Oc5ccc(OC)cc54)nn3)CC2=O)c1,NRYQNLAJZCDRDA-UHFFFAOYSA-N
-rxn:1:63249:14726,COc1ccc(N2CC(Cn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)nn3)CC2=O)c(C(=O)O)c1,RUSFAYLNSXWRJS-UHFFFAOYSA-N
-rxn:1:63644:11117,Cc1nc(N2CC(Cn3cc(-c4cccc(NC(=O)C5(C(=O)O)CCCC5)c4)nn3)CC2=O)ccc1Br,NSKYROJXIDLZHL-UHFFFAOYSA-N
-rxn:1:63806:8337,Cc1cccc(N2CC(Cn3cc(C(=O)N4CCC(c5cccc(N(C)C)n5)CC4)nn3)CC2=O)c1Cl,YUMTYXKZPZOJRP-UHFFFAOYSA-N
-rxn:1:64326:17807,CCC(=O)c1cc(-c2cn(CC3CC(=O)N(c4c(Cl)cccc4C(=O)O)C3)nn2)c2c(c1)C(C)(C)C(=O)N2,LPKDGZQMQVRDHJ-UHFFFAOYSA-N
-rxn:1:64459:6404,CN1CCCN(c2ncc(-c3cn(CC4CC(=O)N(c5c([N+](=O)[O-])ccc(F)c5F)C4)nn3)cn2)CC1,AZKMZPGFJYREQD-UHFFFAOYSA-N
-rxn:1:64757:34005,CC(NC(=O)c1ccnc(N2CCOCC2)c1)c1cn(CC2CC(=O)N(c3ccc(Br)cc3C(=O)O)C2)nn1,ORZOHDAONCNPHS-UHFFFAOYSA-N
-005307A976F03E39_FC3CD5769FD3D89F_6031_UN,O(C(=O)C1=C(C=CC=C1)N2CCCCC2=O)CC(C)(C)C3=CN=C(C=C3)Cl,NMIKOGXXFXZZFR-UHFFFAOYSA-N
-02F457D85E66BF23_5441D761ED858CB7_7022_UN,CC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2N=C(N(C)C)[N]3C,POAHESXQFLYOOZ-UHFFFAOYSA-N
-039298E2A4CAA4D5_A75C0E7400B35FE6_6041_UN,CC1=C(C=NC(=C1)NC2C3=C(OC2)C=CC=C3F)[S](=O)O,NNIAOSCOZVWLFH-UHFFFAOYSA-N
-050A6537412BD8A0_BB76BE76D956F67C_6041_UN,C1(=CC=C(C=C1)C2=NC(=O)NO2)NCC(O)C(O)C=C,HMPZWRMDGHVKLM-UHFFFAOYSA-N
-098019B023F5E985_E82B9EA7FD47A54B_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(CC4=C([N]3N=CN=C3N=C4C)C)=O,QCXPYBNRZDVXFX-MRXNPFEDSA-N
-0B82FBE07B40B2B2_FBE8084B4EB847AF_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=NN=C(N3CCCC3)[N]4C5=CC(=CC=C5)Cl)(=O)=O,KNTPAAABEJNATF-UHFFFAOYSA-N
-0E3DFEC04BAA1BDF_A87BE285DCE2A9E1_6038_UN,O(CC1(CC1)C2=CC=CS2)C(CCCN(C(OCC)=O)C)=O,RKMBDQPVFZOIBD-UHFFFAOYSA-N
-0E7B01C58E329604_DC168977B4E3D004_6029_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C4=C(CC3(O)CCC3)C=CC=C4)(=O)=O,WUIUFLRXOXHGAF-WGSAOQKQSA-N
-0E949A57B4E0C0D0_E16ED8697823B7A1_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=CC(=C3)CCC)(=O)=O,QIZGCRSCBRYWJD-UHFFFAOYSA-N
-0F2166FF467EC078_064FF0656090CB89_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C3=NN=C(C)C=C3)=O,LEJMKEHYPZYPHQ-UHFFFAOYSA-N
-0F2E0D25B5C90613_E4285F017481BD15_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=C([S](C)=O)C=CC=C3C,HSVPKTRNCQXVCF-UHFFFAOYSA-N
-1041752FE8B91AF1_A2E6055683184285_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=C(CN3CCN(C(C)=O)CC3)C=CC=C4,IQBULSQSFIKFJV-UHFFFAOYSA-N
-119D373E231BCFDB_F7A4284452A2D1BA_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)F)[S](C3=CC=C(C=C3)Br)(=O)=O,LGICMEGSDZVBQQ-UHFFFAOYSA-N
-127633436274F38F_AE2EB17550F9B7D4_6039_UN,CC(OCC2=NC1=C(COCC1)C(=O)N2)CC3=CC4=C(C=C3)OCO4,UNVIUWFBFQCDSM-UHFFFAOYSA-N
-12A1251D93CCFE0A_56723B5D56781E0D_6031_DP,N2CC(=C(F)C(=O)OCC(CO[S](C1=CC=C(C)C=C1)(=O)=O)(C)C)C2,OMBFRVQTZFDSIM-UHFFFAOYSA-N
-1621DB92B2D73C56_93EDEF1EDC9D2832_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC4=C(C(N3CCC(C)CC3)=O)C=CC=C4,YKHSJVBLFGXFMZ-UHFFFAOYSA-N
-16B6F79825E3351E_2B28D5B1CEFB2964_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,XUFJEGGNNWADQX-UHFFFAOYSA-N
-17129D22A2CACDBB_EC12E548C1B987FC_2267_UN,C(#CC1=CC=C(S1)C2=CC=CC=C2)C3=CC=C(C(O)=O)C=C3,BGNWPPLKKKVSBY-UHFFFAOYSA-N
-17504AA22E166CB2_04CBB798438C42FB_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)Cl)C(=O)C2=C(CCCC2)C3=CC=CC=C3,KDXUKISFTRGDLC-UHFFFAOYSA-N
-192327C2485A3A8E_865F041385709D1B_6038_DP,O(C1=CC(=CC(=C1)F)F)C(C3(ON=C(C2CNC2)C3)C)=O,PAQYESXJFJEJNN-UHFFFAOYSA-N
-1A01853A11613B34_A54F0ED8C5F3C5A6_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)[S](=O)C,DMFMTUOJMVVVGN-UHFFFAOYSA-N
-1A3D9BD48B71642C_2B42A7B9BA54B2A6_7019_UN,C(CN1C(=O)CNC1=O)=CC2=C(OCC)C(=CC=C2)Cl,IHOUQBOIZAALRG-UHFFFAOYSA-N
-1A9A2343703270AF_998484DEDE7C06FA_6041_DP,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2(CNC2)C3=NC=C(C=C3)F)[NH]4,HKXRKLIYBAWJEF-UHFFFAOYSA-N
-1BCB212B51DC63F3_84C93551D34477D1_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC(=C([S](C)=O)C=C3)F,OFNYSPSNMDZXHS-UHFFFAOYSA-N
-1CF22CF6A4A76C63_F750C12E4A2FCF85_6034_UN,C[N]1C=NC2=C1C(N(C(=N2)Cl)CC3=CC(=C(C=C3)N4CCOCC4)C)=O,LXZFVLFREQJSEQ-UHFFFAOYSA-N
-1D7EE110E98A4514_4E1A0B2E3C1B3CAF_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(=O)C3=CC=C(C=C3)N4N=CCC4=O,RJEUKZTXKZBHTO-UHFFFAOYSA-N
-20D34E73B059B008_5B6FB84A1364372C_6028_UN,C1C(CN1[S](C3=NN=C(C2=CC=CS2)[N]3C4CC4)(=O)=O)C5=NOCC5,YFWGGJPHXHJFSX-UHFFFAOYSA-N
-2147E1D67216A45E_2F3013F91A04A126_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(C)O5)(=O)=O,REVBHJOXKLSRMP-UHFFFAOYSA-N
-226B6D775F3AC67F_E154DB0E48DFA91A_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(CC3=CN=C(C)C=N3)=O,GYMSVRDAGFTGLC-UHFFFAOYSA-N
-22B4BBAE29E494F1_8EA822B58F75545D_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CCN3CCC=N3,RTLRMQQFRWSZEY-UHFFFAOYSA-N
-242D5C65FA926766_099B613987280CD2_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C(SN=C3C)C)=O,BSUZXHSFMNKNCS-UHFFFAOYSA-N
-2505C31404CA0DB0_741F79FF21CA9742_6041_DP,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=C(CNC2)C#N,KGPNHGJHHJENEI-UHFFFAOYSA-N
-25EE400B43632D72_648B1F29FCA94592_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C)S5)(=O)=O,VKQLBNAHDSTOLH-UHFFFAOYSA-N
-279665E547FB8901_407DDA4D1D743640_6034_UN,O=[N](=O)C2=C1C(N(C(C1=CC=C2)=O)CC(C)(C)N3CCNC3=O)=O,IWXCINFBOVBCLL-UHFFFAOYSA-N
-2A30EA23BB2A6CD8_E8785EFB5B76B8EB_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC([C@H]3[C@@H](C)C4=C(CC3)[NH]N=C4)=O,UVVVFXDTCGZQSU-VDCCYECJSA-N
-2B38D1F51C8F589C_4B2D2E760991F72E_6041_UN,COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)NCC4OC(OC4)=O,ISXCOWUJGDLFOC-UHFFFAOYSA-N
-2C55909F05762CE9_3E29933456D553AF_6038_DP,OCC1=C(C=CC=C1)NC(CCCN2C(CN(C)C2=O)=O)=O,PTPXSDFZJIOPMM-UHFFFAOYSA-N
-2E3685ADFEA9FD0E_B50182A47315D9FA_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,SEHQLXNQGKMGOX-UHFFFAOYSA-N
-30FA82D9BA044A58_1C83669FCA08522E_6029_UN,N(C1(CC1)CCO)[S](C2=CC=C(CCOC)C=C2)(=O)=O,KIMIUUFBSPIGLJ-UHFFFAOYSA-N
-3157F1BD045997BF_3F1F1B023668D429_6003_UN,CC2=C(C(=C1C=CC=CC1=N2)OC4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C)C,MONMBVFHMHUYQF-UHFFFAOYSA-N
-31ED49EA515D1FA1_8086D898B43B4236_6038_UN,CC1=N[NH]C=C1CNC(C3OC2=C(C)C=CC=C2C3)=O,WWUBKMDCJYEXDY-UHFFFAOYSA-N
-32AE9F13BFED37D7_2B68085D0064D89B_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)F)[S](C3=CC(=CC=C3)Br)(=O)=O,UZVNEONBQWVKKM-UHFFFAOYSA-N
-32BA8795CD838579_48DB2D153BBAF6F5_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)[C@]3(CC[C@@H](C)CC3)CC5=NC4=C(C=CC=C4)[NH]5,MYTIZDRREFJRTC-ONEIWYMKSA-N
-33428D0AF4D44E47_5743C24DA02329ED_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C[N](CCN(C)C)N=C3)(=O)=O,ZGDSEJQUGVWGLD-UHFFFAOYSA-N
-342C683DABBC7F36_558E870EA136BA9E_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C(C)C=C5OCOC5=C6)(=O)=O,IHMGYWJZJPTVMP-UHFFFAOYSA-N
-34DE88896FA5D21A_FC51E02B59EA5FC3_6027_UN,N(CC1(CC1)C2CCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,NXJQZGPBJWIKOJ-UHFFFAOYSA-N
-35CA371EE89F0674_D859EA73D7354759_6041_UN,C1(=CC=C(S1)C(=O)C2=CC=CO2)NC(CCC(C)=O)C(=O)O,LNFKYQLPIMOTNY-UHFFFAOYSA-N
-36AB3DFE65E34B09_C9CF6C9A953F49E0_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=C(F)C=CC=C2Cl)(=O)=O,WUKHLUWILJDHTN-UHFFFAOYSA-N
-37A0BE564137D4A9_05222D2333449747_7019_UN,C(CC(=O)NC1=CC=CC=C1)=CC2=C(C(=C(O)C=C2)O)O,DNDLXVXHHCLYLQ-UHFFFAOYSA-N
-385B26A1A165C2C4_DB6388884B3B29D3_6035_UN,C[Si](C)(C)C#CC(OC2=C1C(=CC=CC1=NC=N2)F)CC3=CC=CC=C3,PUCUCJMRDUWJNG-UHFFFAOYSA-N
-394C8867AE3534AB_4573468CBD40D436_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CC=C(C3(C(OC)=O)CC3)C=C4,SXILFOGXGBEPEA-UHFFFAOYSA-N
-3975A7DF41C16F76_446C110A5719EA24_6041_UN,CC1=C(N=CC(=C1)NC2=CC3=C(N=C2)C(=CC=C3)F)[S](=O)O,ZXEOORQORPLIII-UHFFFAOYSA-N
-3B3AE5BED2ACB0EF_B3B5ABEC1670C409_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CN=C3)C#N,JOSWDGGSWLOJAY-UHFFFAOYSA-N
-3CBDB1DC6201A847_A3BB5D12CC66A1D7_6038_UN,CC1=NC5=C(C(=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=CC(=C3)F)F)CC4)C=CC=C5,NDQBJUMXDWLBKC-UHFFFAOYSA-N
-3DCBC84375E72166_3B98EA968995C14B_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C3=C(C)N=NC=C3)=O,ZSHVBBICFHUTOE-CQSZACIVSA-N
-3E9169DD90DF41AD_8AB35A3B4668C255_6038_DP,OC(=O)[C@@H](NC(=O)C1=COC(=C1)C2=CSC=C2)CC(=O)O,DFWULEQTJSMSOH-VIFPVBQESA-N
-3F35BEEF71FACB9C_226CAF7D89389692_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CCC)C#C,ISQCJOKBIUMKPK-UHFFFAOYSA-N
-3FEC55D70601466E_91FFBAAFB2F7E739_6038_DP,COC1=CC(=C(C=C1)NC(C(C)=C2CNC2)=O)[N](=O)=O,WQKFTVVBDHJMMV-UHFFFAOYSA-N
-40186B48F28F600E_69BFF6DEBA130037_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC3=C(CCC3(C)C)C#N,HXNZMXMAHYMLLV-UHFFFAOYSA-N
-42FB169BFBAB302D_E7BC8AAD3D042947_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4=C3N=C(C)C=C[N]3N=C4)=O,NTLXDYBKWJUFGG-UHFFFAOYSA-N
-43217FAEB6742D44_35214601214324A6_6029_UN,OC1(CCN(CC1)[S](C2=NC=C(B(O)O)C=C2)(=O)=O)C3=NOC4=C3C=CC(=C4)F,PVCBXUUNSRIWKP-UHFFFAOYSA-N
-440803DBDE107180_192ACC2543F9093A_6034_UN,ClC1=NC3=C(C(=N1)NC2=CC=CC=C2)N(C=N3)CC4CCN(C)C4=O,JYNXTGSFCCVNRM-UHFFFAOYSA-N
-45EEC61988D67B9F_68D444A0D6AA8910_6038_DP,CNCC1=CC=C(C=C1)NC(=O)C=CC2=NC3=C(N=C2)C=CC=C3,RSACIFZEXIVPGA-UHFFFAOYSA-N
-47F71F31D17FDDE0_92E1A4DD4CBC46BA_6035_UN,C[Si](C)(C)C#CC(OC2=C1C=CC=C(C1=NC=N2)I)CC3=CC=CC=C3,MGKQLSASXSJSGB-UHFFFAOYSA-N
-4844D19FC1B02056_700898E3A4A27935_6034_DP,NC1=CC(=O)N(C(=O)N1CC2=CC=C(C=C2)Cl)CC3(CCN3)C,VJXQMUKDNAPENL-UHFFFAOYSA-N
-494595DCB47D752F_424B3C2F62250174_6035_UN,C[Si](C)(C)C#CC(OC1=CC=C(C=C1)C3=NC2=C(C=CC=C2)[NH]3)CC4=CC=CC=C4,LGNFNOMYZUEMIV-UHFFFAOYSA-N
-4A92AC1D0D6BBD22_A1729D56F388146D_6035_UN,O(C1(CC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3)F)[S](=O)(=O)F,JEZPSMPKLSPPGU-UHFFFAOYSA-N
-4B2E223966E4E0D5_7D3DB51B6EB668B3_6041_UN,OC(=O)C1=C(C=C(S1)NCC2=NN(C)C(C2)=O)[N](=O)=O,XHSMFHGYOLZIPE-UHFFFAOYSA-N
-4BB365B38237B869_2B5EB216AC241B47_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC)CCC)=O,KVBPXPHCNZCAKH-UHFFFAOYSA-N
-4BE576DA678EBE39_FBEC8948E99FDAA9_6029_UN,N(C1(CCC1)C#C)[S](C2=CC(=CC=C2)C3=CC=CC=C3)(=O)=O,RBMOQLXEPRGIOB-UHFFFAOYSA-N
-4C34660779F30A2C_C16597B54AB94BE0_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=CC=C(C=C2)OC4=C3C=CC=CC3=NC=C4,RXNHYVDMOLMYBP-UHFFFAOYSA-N
-4E56255E2F22CFF5_4EEDC3EB0E9FEA9F_6041_UN,CC1=NC(=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F)[S](=O)(=O)C,ALYRRZNIVATBMX-GFCCVEGCSA-N
-509916716D2F4487_DB257BEC10DED1D0_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4ON=C(C3=C[N](C)N=C3)C4)=O,IAWFKZXQKNBZOS-UHFFFAOYSA-N
-52BBD2663AA8CD68_717219C210186E6E_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)CC(CC)=C,XQBQHAZAULLKRB-UHFFFAOYSA-N
-544C66752609FC8F_70F2F3B9FBD71DDF_7022_UN,C1(=CC(=CC=C1)Br)OC2=C(C(=C3C(=C2C)CC(C)O3)C)C,OGFVDGSBGCMOFY-UHFFFAOYSA-N
-5A3154EB1F72C256_3BBFC2D2ED47AA40_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3C(C)C4=C(CC3)[NH]N=C4)=O,MPWIHUKQOIVFLS-KVULBXGLSA-N
-5B08D0BC2C755E0E_8E29A455F81CA4DD_6038_UN,CCC1=NCCN1CCNC(C=CC2=C(C)C=CS2)=O,QSUDXWNVYIACTL-UHFFFAOYSA-N
-5B9915635FEAA950_04AD9CFB4E8A8FAD_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,YXCFDGWKMGJSRB-UHFFFAOYSA-N
-5E04934467C12133_ED96D16789C77AEB_6038_DP,CC1=C(C(=CC=C1)C#N)SC(C2=N[NH]C3=C2CNC3(C)C)=O,UAAMZJQBDMLSCK-UHFFFAOYSA-N
-5FB9060F6A04F22C_F61F9DB131583862_6009_UN,OCC=CC1(CCN(C(CCl)=O)CC1)C2=C[NH]C3=C2C=CC=C3,HLYHJBPVRFGDPF-UHFFFAOYSA-N
-5FF2A4A9509273A3_89586192E8301C65_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3(CC4=C(CC3)C=CC=C4)C#N,JKAFBECPXIOHJT-UHFFFAOYSA-N
-6084FF0230F1E106_A498046CEA048FC0_6031_DP,N2CCC(=C(F)C(=O)OCC1=C(CCC)C=CC=C1)C2,GAXGHTJBHNINGW-UHFFFAOYSA-N
-612600BF56E12AC4_CC8AF2D87B3DDAB6_7019_UN,C[Si](C)(C)C#CCC=CC2=C1C=CC=C[N]1N=C2C3=CC=CC=C3,YVNUDZWWEATOKH-UHFFFAOYSA-N
-62E7F78F77D6A89D_5F03B176B34114A0_6029_UN,N(CC=CCO)[S](C1=CC=CC(=C1)C(O)C2=CC(=CC=C2)F)(=O)=O,LOABOWSQYSDUDO-UHFFFAOYSA-N
-665A19A6ECAA3ECB_D2ADFF1CA286B95F_6039_DP,N3CC(OCC(=O)C1=C[NH]C2=C1C=CC=C2)(CCC#C)C3,QVLJZGPZHDNXNX-UHFFFAOYSA-N
-66F00102FFC1AA53_B8892294F81DCF12_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=C(C=CC(=C4)C)[S](=O)(=O)C)N5,KGBVPDZAJWMNQK-UHFFFAOYSA-N
-678153E85A2C231D_B4C71F83E2FB2835_6038_UN,NC(=O)C1=C(C=NC=C1)NC(C2(C)COC(=O)OC2)=O,LBDYYBFZUGRVMJ-UHFFFAOYSA-N
-6A8FD3C6CB5961CB_1106C93D82EA62CC_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(C)C2=CC=C(C=C2)C3CC3,NMUUACIJRNBTHQ-YFKXAPIDSA-N
-6C90D30B688F93F6_E90975254A0FB841_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC=C(C=C2)OC4=C3N=CC=CC3=CC=C4,HOXZFLCWUWZQGI-NRFANRHFSA-N
-6C9A331D1EEA57CF_7C0E41EE179CD1FD_6031_DP,N2CCC(=C(F)C(=O)OCC1=CC=C(CCC)C=C1)C2,COCSSXSJIAJBOL-UHFFFAOYSA-N
-6CAB0A00D0FA7E23_C3AFDECF990A60A5_6003_UN,OC(=O)C=CC1=CC=C(C=C1)OC2=CC=C3C(=C2)CC(OC3=O)=O,BQMQVORJVGQTEL-UHFFFAOYSA-N
-6D6AAA3D09A3F4A3_275FC1C4B60DEAA0_6038_UN,CCCCC3=NC1=C(C=CC(=C1)NC(C2=CC(=C[NH]2)CC(C)C)=O)[NH]3,DVXGLYSPKDGBOI-UHFFFAOYSA-N
-6F8EC334064831F2_0556457EEF645FD4_6039_UN,COC1=C(C=CC(=C1)CC(=O)O)OCC2=C(C(OCC)=O)CNC(N2)=O,MCWLFLMNUUNYDS-UHFFFAOYSA-N
-7106003565CEA94E_71E9B3F51B9E3F01_2875_DP,N[C@@H]1CCC[C@@H]1C[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,CBFVHRDUBTWGLR-ZIAGYGMSSA-N
-718547F54E9A3C2D_6EDDE294B5BB5105_6039_UN,COC(=O)C1=CC(=C(C(=C1)OC)OCC(=O)N2CCNC2=O)[N](=O)=O,BEURABBRRCZBMU-UHFFFAOYSA-N
-7308552786F6BE10_F475B2747C876158_6038_UN,CC1=NC4=C(C(=C1)N3CCC(OC(CN2C(CN(C)C2=O)=O)=O)CC3)C=CC=C4,BUMIKEVBKRFSPJ-UHFFFAOYSA-N
-73A398010B310BFF_F71DAE3155708659_6029_UN,C#CCCN(C1CC1)[S](C2=CC=C(C(C)(O)CO)C=C2)(=O)=O,OBEXULHEPJROCU-UHFFFAOYSA-N
-7783A2E3B3CBDD85_59ACA724AC64937A_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)N=C4C=CC=C[N]34)=O,JKPNQJYXINOWNL-UHFFFAOYSA-N
-77BCE2A0394417FD_445965200C1720F9_6029_UN,FC(=C1CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O)F,OFCZXCKHMYMUDZ-UHFFFAOYSA-N
-7A4F2C2D359F477E_7E48AA5FCB4A797E_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=NC=C3)C(N(C)C)=O)(=O)=O,ZEVODIHAOBVUMP-UHFFFAOYSA-N
-7A58DCC1A92C0F90_B7042B6E8BC5523B_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=C(C)C=CC(=C4C)[N](=O)=O,QERNQRIGOFHCLR-UHFFFAOYSA-N
-7BA0C5AE953271C0_D70F54E83027C54A_6038_UN,CCOC1=C(C=CC(=C1)OC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)[N](=O)=O,LHMMUPAWZHCJPU-UHFFFAOYSA-N
-7D6F39960B67089C_0FF2216A1CE94D97_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C)N5,UPWCWFIOTZWLHE-UHFFFAOYSA-N
-7F36C28F56C4F27C_4BF8A63862F2342F_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3(C(C)C)CCCC3,DVNQJMBAMMEMOM-UHFFFAOYSA-N
-813430C09C75C037_DA6B7AF9E47A6D2C_6038_UN,CC3=C(NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)C=N[N]3C[Si](C)(C)C,NRWXRTAOHUAYGB-UHFFFAOYSA-N
-83F39AB5126C1B32_B5C8C0787996C000_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NN=C(S)[N]3C4=CC=C(C=C4)F,ZOJAPYPPIHCDKS-UHFFFAOYSA-N
-84A58C2A982AFC0B_956A6F117A82062B_6038_UN,CC[N]2C=C1C=CC(=CC1=N2)NC(C3=C(C)N=C(C=C3)C4CC4)=O,PBIHUZDZHLBHSW-UHFFFAOYSA-N
-8510C1491C3FD1C4_D72877D7A41E9014_7022_UN,C1(=C(C=C(S1)Br)I)NC[C@@H]2OC(N(C2)C3=CC=C(C=C3)N4C(COCC4)=O)=O,YOXJXMGSSDQQLS-ZDUSSCGKSA-N
-878559C575B07DA9_9154E0555946A414_6038_UN,O(C1=C(C=CC(=C1Cl)Br)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,HTEQFXUIICMESI-UHFFFAOYSA-N
-88E912B5260205BF_C6786D3565433200_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)[N](N=N5)C)(=O)=O,WCPIGGPWPULHPG-UHFFFAOYSA-N
-8A4D20C86A678C9D_F323E253B3CCDD5D_6003_UN,ONC(=O)C1=C(C=CC=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,CNRZBMQNYDGTST-UHFFFAOYSA-N
-8BB0F74990F07DA5_0FA8C526446827B9_6027_UN,N(CC1(CC1)CC2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,RAFHKZFJUHIHOQ-UHFFFAOYSA-N
-8C7EC6B1BAEABAFB_898E43309063AC45_6034_UN,C[N]1C=NC2=C1C(N(C(=N2)Cl)CC3=C(N=CC=C3)N4CCCC4)=O,UCTAJOLTYOBSLN-UHFFFAOYSA-N
-8D00E0C7106ED548_6A8E1C94513C5938_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(CCC3=NC(=O)C4=C(N3C)C=CC=C4)=O,FTDCIRYUISBIFN-UHFFFAOYSA-N
-8D38446A14ACD858_5902932B9AFA97B1_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC4=CC=C(N3CC(C)(C)C3)C=C4,MTQBCGOOTRMKBW-UHFFFAOYSA-N
-90124EB5DEB9DF85_4C1A9BBAF72B0C92_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4=C(C=C(C=C4)C(=O)O)[N](=O)=O,DISDCKNJTCUPOG-UHFFFAOYSA-N
-91F254D4310376FB_4A7B18ED72F0B53C_6028_UN,N(CB(O)O)[S](C4=NN=C(C1=CC(=NC2=C1C=CC=C2)C3=CC=C(C)C=C3)O4)(=O)=O,LONKICSLWBZLTJ-UHFFFAOYSA-N
-941DCA25BE2712E4_977323E47FEC66C9_6029_UN,FC1CN(CCCC1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,QDXAUBINJDLBNS-UHFFFAOYSA-N
-9740D4D523B63553_F2293401BB11E4E1_6041_UN,CC1=C(C(=NC=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,BKRXPHXETKFCAY-CQSZACIVSA-N
-9742B2557DAD939A_7B2AF32120E9B122_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC4=CC(=C3OCOC3=C4)Br,PWCHFSRTLNXQNZ-UHFFFAOYSA-N
-9828E81C7B3F4E83_92A99C5B0DD24B21_6041_DP,O=[N](=O)C1=C(N=C(C=C1)NC2=C(CNC2)C#N)C3=CC=C(C=C3)F,JXUKVCLNXKSESF-UHFFFAOYSA-N
-98348059A8370992_73C5E976E76260D5_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)F)[S](C3=CC=C(C=C3)Br)(=O)=O,FRLNNSYRJQAIBS-UHFFFAOYSA-N
-98A32FC599857088_D4E918B71E5DBDE4_6029_UN,COC1=CC(=CC=C1)CC2CCN(C2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,ATFPRNGACXPVQG-UHFFFAOYSA-N
-9A4ED2E849AA5E23_4988DD986078C7CD_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=C(F)C=CC=C2Cl)(=O)=O,PZCPRLLQXVNSAX-UHFFFAOYSA-N
-9BCA0A304B45C9B0_AE421B93F99198DB_6041_UN,CC1=C(N=CC(=C1)NC2=CC3=C(N=C2)C=CC(=C3)F)[S](=O)O,JURGXPRCYCBWFM-UHFFFAOYSA-N
-9D3632606630A804_230FBD8025DD897D_6041_UN,CC1=C(C=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3F)F)[S](=O)O,YOSCAWSYGRQLMO-LLVKDONJSA-N
-9D7E8A1FD81D0DE4_569DF8D0B877C6C6_6035_UN,COC[C@@H](OC2=CC=C(C1=N[NH]C(=N1)N)C=C2)C[N]3C=CN=C3[N](=O)=O,ILLPKUGFOALSLX-LBPRGKRZSA-N
-9FF37D5114A24EDF_E4BBE1243E2336DA_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC=C(C=C2)OC4=C3C=CC=CC3=NC=C4,RYISGHTXIOLYQV-QFIPXVFZSA-N
-A330A888EE067031_1B40FB585F96AB5E_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3C4=C(CN3)N=CN=C4)=O,RNHIHNOZDVEHLU-UHFFFAOYSA-N
-A3620A08FC51D699_E9CAEF221A25B2F2_6039_UN,O(C1=CC(=CC=C1)N2CCCC2=O)CC4=NC3=C(C=CC=C3)C(N4CC(C)=O)=O,XAPQQNNXXXFYNF-UHFFFAOYSA-N
-A533E2FAA00EEB73_DE75980495280A6D_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CC(CCC)CCC)=O,ZHOJEKAVRHZALV-UHFFFAOYSA-N
-A64870D9BDD867F5_5046F4D723A99882_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,GINWXSMJDMRNPE-UHFFFAOYSA-N
-A64F2C753ABF7007_86422839D57D5FD6_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC=C(C=C2)C4=C3C=CC=CC3=NC=C4,PDHGQCDWYFVCNV-QHCPKHFHSA-N
-A83FF65B72E97FF6_06BF05DF3B98EC40_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC3=C2C=C(C=CC2=NC=C3)OC4=CC=CC=C4,BGVXNHVNMIIIHW-HSZRJFAPSA-N
-A8FF3ED6DA032536_74366BEC43C8C4A2_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC(=C(C)C=C2)[N](=O)=O)=O,AHKBDCLQCCIZJQ-JTQLQIEISA-N
-AD1E0ADC01ECA6AC_272DECFA6955AF87_7019_UN,NC1=NC(NC(=N1)C=CC(CC(C)C)C2=CC=CC=C2)=O,DTENHFCSXRNIBS-UHFFFAOYSA-N
-AD632DB7B7F519B3_38502776A2943598_6038_UN,CC1=NC(=NC(=C1)C)CNC(C3OC2=C(C=C(C)C=C2)CC3)=O,USSXSRINWDGQGP-UHFFFAOYSA-N
-AD808B6CC06A5570_5DF806931DD2DA40_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4CCN([S](C3=CC=C(C)C=C3)(=O)=O)CC4)F,SNYNRSSQDKCSDH-UHFFFAOYSA-N
-AE5F7E13628AA209_6FBFAFDE0FFBAB9D_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2(CCC2)C3=CC=C(C=C3)C#N,NFKLLHTZFIFQSY-UHFFFAOYSA-N
-AF67E367123C574E_0A57A83E688BB6F9_6035_UN,O(C[S](=O)(=O)O)C2=CC=C(C1=CCN(C(C)=O)CC1)C=C2,NPXOVBBKRFEQCO-UHFFFAOYSA-N
-B2F4B4B8CC412614_03954716DB4FB58C_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)N=NC=C3)=O,HWKFRMVSOOJNPI-MRXNPFEDSA-N
-B51E856F91A87153_926447E5EC8C68C3_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC(=C(C3(C)CO3)C=C4)F)(=O)=O)C=CC=C5,AVKKPMFZXDGMIO-UHFFFAOYSA-N
-B631CA22337C4724_342C205AC0E1A278_6028_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,ANWLMMSQMSMPKS-UHFFFAOYSA-N
-B7DA34DB9009933A_6D849CAD18307C33_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([P](C)(=O)C)C=CC=C3)(=O)=O,PYUVAGCSBWRFJV-UHFFFAOYSA-N
-B90AFA582DC6B4FB_D3DD2E4B48C60FDD_6038_UN,N(CC1=CC=C[NH]1)C(CN2C(CSC2=CC(OCC)=O)=O)=O,WETSBIQGFXARRT-UHFFFAOYSA-N
-B96180CD246B413C_4C2A0F0A71E04E14_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC=C[N]2C3CC3)(=O)=O,LJWASGBTDWVTKR-UHFFFAOYSA-N
-B9965B6174183EF4_5A4BDFDE7160A12E_6038_DP,CNCC1=CC(=CC=C1)NC(=O)C=CC2=NC3=C(N=C2)C=CC=C3,BDOPEJRTHSPWHS-UHFFFAOYSA-N
-B9F640C19A5D8C10_828E8788F840C886_6041_UN,CC1=C(C=NC(=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)[S](=O)O,VIDSLGULORETCB-UHFFFAOYSA-N
-BC0AD66167940CE2_D7FFD8ED92079AB2_2201_UN,CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4C,RICIZQLSZMIALJ-UHFFFAOYSA-N
-BD9164DD2BD160C5_63C0EDEDC7BBE0A5_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4CC(C)C5=C(C4)[NH]N=N5)=O,ZHAUFTOTVQAWSY-UHFFFAOYSA-N
-BDEFCF5022F6BA86_E4668A824BD6AA5D_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=C(C)C=C3)[S](=O)(=O)O,ATRPKQVNBLMGLB-UHFFFAOYSA-N
-BE7731137D26A5DE_11379630E09BADDE_6038_DP,CC1=NCCN1CCNC(C(NC)C2=C[N](N=C2)C)=O,PHRBNLGBMQEVHJ-UHFFFAOYSA-N
-BF4CA508A44C9747_6BD21C837FF6494B_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(C)C2=CC(=CC=C2)C3CC3,KIYXHHPXMYENEP-YFKXAPIDSA-N
-BF4CA508A44C9747_F2BA0830408B4FC7_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(C)C2=CC(=CC=C2)C3CC3,KIYXHHPXMYENEP-YFKXAPIDSA-N
-BFB1563C8681F9DC_05FAB3B387DED58F_6038_DP,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3C4=C(CN3)N=CN=C4)=O,WQSVQVWKPVZTRP-KNVGNIICSA-N
-C012AFC403D4B4D4_9EC83853193A6888_6038_UN,CCN1CCN(CC1)C2=NC=C(C=C2)CNC(C3(CCC)CC3)=O,BEXZRGAKVXHTRC-UHFFFAOYSA-N
-C12477C110845BE9_935D7E461A170736_6035_DP,COCC2(OC1=C(C=C(C)C=C1C)[S](=O)(=O)Cl)CNC2,FBYONAXQPNVISO-UHFFFAOYSA-N
-C1721CFE24820F61_D5FDDD0593C9EAAD_6038_UN,CC1=NC(=NC(=C1)C)CNC(C2=CC=CC3=C2OC(C)C3)=O,ZQTOMGAHVUJVHC-UHFFFAOYSA-N
-C2936DEDDC460BA5_EED879792DBF04CA_6041_UN,CC1=C(C(=NC=C1)NC2C3=C(OC2)C=C(C=C3)F)[S](=O)O,OMEJOVJDZQHKSD-UHFFFAOYSA-N
-C3D72896AB949EE8_3BDBC3EA16D60F9A_6003_UN,CC1=CC(=CC=C1)N4CC(COC3=CC=C(C(N2CCCN(CCOC)CC2)=O)C=C3)OC4=O,WXJRWPBZGNABFC-UHFFFAOYSA-N
-C40442F40C5E3A50_F9506BB03B586A54_6041_UN,FC1=CC(=CC=C1)C2=NC(=NC=N2)NC(CCCC)C(=O)OC,JSMGZLGITFQWOK-UHFFFAOYSA-N
-C4243C2F9AF4B015_B49647B01831381B_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC([C@@H]3CN(C[C@H]3C)C4=NC=C[N]5C=NN=C45)=O,LRKSXKDVBRRJTE-OMOCGIRRSA-N
-C44A23CF9F5D05C9_39B53D43EE314A3A_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C3(ON=C(C)C3)C)=O,NOJGZOLRKAORPS-UHFFFAOYSA-N
-C459223022ADBA7E_E1EAEA881E36CED5_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=CC(=C3)Br)[S](=O)(=O)F,FRUQWTGTOVNFRF-UHFFFAOYSA-N
-C4D24681E783C52F_8E664C3E4B1A1CC8_6003_UN,O(C1CC2(C1)NC(=O)NC2=O)C3=CC=C(C(CC(C(OC)=O)=O)=O)C=C3,CKNHSJZPMVARHG-UHFFFAOYSA-N
-C554222CAA8D1264_9F5DB757D19B141F_7019_UN,COC1=CC=C(C=C1)C(=O)NC(=O)C=CC3=C[N](CC2=CC=C(OC)C=C2)N=N3,VZVSDKYXVDFVSA-UHFFFAOYSA-N
-C55A7D602882D2CF_5B132C343B4FDEB7_6038_DP,OC4CC(CNC(=O)C2=C1C=CC=CC1=NC(=C2)C3=NC=CC=C3)C45CCC5,YPZOOCGFMPMURA-UHFFFAOYSA-N
-C6703CDD86D6D6EF_23E4E90A14E1D7D9_6035_UN,O(C1(CC1)C2=CC(=CC=C2)Br)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,KKODAAKQOWMBOR-UHFFFAOYSA-N
-C6706DCD851DD7C6_ECBF6328D1003258_6038_UN,CC(C)C1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)B(O)O,KAAFMKKINWSJQO-UHFFFAOYSA-N
-C6A3322E23549A4A_62EF94B78BBC5DCC_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C4=CC(=C3[NH]N=NC3=C4)C)=O,JCRVHIOKUJVOSD-MRXNPFEDSA-N
-C6CB647C6A29E977_597E2558246E9BE8_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC)(C)C)=O,NTDBRVRMMMRWFF-UHFFFAOYSA-N
-CA9E3EE4EC8767D5_086B875DE76CF021_6031_DP,CN(C)C1=CC(=C(C=C1)Br)C(=O)OCC(=C2CNC2)F,QVJPMICBOUFBCL-UHFFFAOYSA-N
-CB55F16981915309_AD8A5CB8B0B9D25C_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4CN(C3=NC=C[N]3C)CC4)=O,NKNQLYSLVVNZMI-UHFFFAOYSA-N
-CCA81BE16F2BAC86_99A942187CA21C42_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C[NH]N=C3C4(C)CC4)(=O)=O,SJFXBRJGMZJULW-UHFFFAOYSA-N
-CD3F7A1B01663959_4D132E0170A20061_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=C2C=C(C=CC2=NC=C3)OC4=CC=CC=C4,BGVXNHVNMIIIHW-QHCPKHFHSA-N
-D2BD9488C8D49E52_B3EB210F48D2AE09_7019_UN,C(C1=NN=C(C=C1)OC2=CC=CC=C2)=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO,XTRILYUPGOKBDG-XOSAIJSUSA-N
-D3F3AA4F23DE4DA3_0EBAC4000DD949DD_6038_UN,C[C@H](NC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CN(C)CCCN(C)C,SCLQEFQQCDKNSD-ZDUSSCGKSA-N
-D4FD820CDCD64906_E358EC7834AB4F47_6041_UN,CC1=C(C=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC(=C3)F)F)[S](=O)O,VPUKFWUGHXRFKZ-LBPRGKRZSA-N
-D5A475AA7580CDC3_9B94092F3EE981CE_6038_DP,N(C1=CC(=CC=C1)N2C(NNC2=O)=O)C(C4ON=C(C3CNC3)C4)=O,LPXWYHMIVQLIDQ-UHFFFAOYSA-N
-D724D10FA051DD5D_1A06A78D803FB7EB_6028_UN,OB(O)C1=CC2=C(C=C1)C=NN2[S](C4=NN=C(C3=CC=C(C(C)C)C=C3)O4)(=O)=O,WKLQGXYSEDDUTL-UHFFFAOYSA-N
-D731A43EA968B20C_981102C3EB36FBDD_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)F)C(=O)C2=C(CCCC2)C3=CC=CC=C3,ZHMUTQJWYAOYBM-UHFFFAOYSA-N
-DB6AAFC260DCCD53_D1C7B89793A2D145_7022_UN,CC1=CC(=CC(=C1)N3N(C)C2=NC(=NCC2=C3)Cl)[N](=O)=O,GIKQHDBKUMRGMO-UHFFFAOYSA-N
-DB8EBC111E9D2659_10A6788F03950BE2_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=C(C)C=C3)[S](=O)(=O)O,AYUWNVZRBLZMAO-UHFFFAOYSA-N
-DBAF1D0906F5F054_8BDD3641C5070027_6038_DP,O(C1=CC2=C(C=C1)C=CC(=N2)F)C(C3(CCNCC3)C4=CC=CC=C4)=O,XPEBBAWAFIVPEV-UHFFFAOYSA-N
-DC927B265AD15B8E_00AC3D37CB0C5595_6028_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=NN=C(N3CCCC3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,UBPRWLQXAPXTEM-UHFFFAOYSA-N
-DF29A9B29ECEDB34_9DDEC1046A70FB16_6038_UN,COC1=C(C=C(C=C1)NC(C2=CN[S](N=C2C)(=O)=O)=O)[N](=O)=O,PTNYHLDKFJMHDN-UHFFFAOYSA-N
-E003CF5B13538B15_455B7F5E45E9DC40_7019_UN,CCN4CC(C)(C=CC1=CSC(=N1)C2=CC3=C(C=C2)OCO3)C4=O,UECRTAUSOPXPDZ-UHFFFAOYSA-N
-E0687F1FBD14996B_4B1A855FE1877527_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=C2N=CC=CC2=C(C=C3)OC4=CC=CC=C4,OYXQSOKQWRTWRI-NRFANRHFSA-N
-E2461C5CF9004125_C996D336D7BFC84E_6038_UN,CC1=N[N](C)C(=C1NC(=O)C3=CC=C(C[N]2C=CC(=N2)[N](=O)=O)O3)N4CCC4,QSLNJVDHLODTGN-UHFFFAOYSA-N
-E29EC0B2DE8C063A_16EC83565FD55965_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4=C[N]3N=CN=C3N=C4C)=O,RLLMLBLJPUXQBU-UHFFFAOYSA-N
-E35CB33AD9500502_DB4346A02BACB558_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C3=CN=C(C)C=N3)=O,GUXZMQZURLTWAC-ZDUSSCGKSA-N
-E42C4F0A6F172E25_444E6D2F10539F2C_6039_UN,O(C1(COC1)C2=C[N](CC(=O)O)N=N2)CC3=[N](=O)C=CC=N3,BZIBMIQQLUAVKP-UHFFFAOYSA-N
-E6F9F0C4CA4B30EF_948120C3E5D15DE7_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CCC)C(=O)N(C)C,TXTKEOPWLKPPLN-UHFFFAOYSA-N
-E84ABFAE63AA6E8F_C261A16335A78CAF_6041_UN,CC1=C(C=NC(=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)[S](=O)O,TUNMJZIWBGWZSH-CQSZACIVSA-N
-EB6E04FC418A95D5_71039937B32EA243_6038_UN,CC(C)C1=C[NH]N=C1CNC(C2=C(CC)OCCC2)=O,HBFSVNOBUUIDPQ-UHFFFAOYSA-N
-EC1492607874B5DC_973242661E41907F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CC(=C5CCCC5=C6)F)(=O)=O,WOCLWFUMGWNGAH-UHFFFAOYSA-N
-EC5C5F3789EE9EE5_CB1D2961863D0E29_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC(C3=N[N](C)C=C3)(C)C,TWZZUEHUHDWLCU-UHFFFAOYSA-N
-EF29573137AE5C02_42CE1D82ED72D12D_6035_UN,CC(OC1=CC=C(C=C1)[S](=O)(=O)O)C2=C(C=CC(=C2)F)OC3=CC=C(C=C3)Cl,UWXVDNNAJMKXJB-UHFFFAOYSA-N
-EFCE90611E1DEDD6_89D455A2AA819CF1_6038_UN,CC1=C(C1COC(C2=N[NH]C(=C2)C3=C[N](C)N=C3)=O)[Si](C)(C)C,HNVTTYPPCHRINB-UHFFFAOYSA-N
-F1514EE8C4CAC2B9_D27B8AEB48810927_6039_UN,O(CC1(CC1)C(=O)O)CC2=CC(=C3C(=C2)OCO3)C4=CN=CC(=C4)F,BIQVSXWRINZNAN-UHFFFAOYSA-N
-F196C034B918A43A_018234D8395ECF81_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC2(CCC2)C3=CC(=CC=C3)C#N,BIIRYTYHNKSOED-UHFFFAOYSA-N
-F2E2A25453337492_3D24E40B64DC4506_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C3=C(C)N=C(N=C3)C4CC4)=O,PNXHKTLGDQTMAY-INIZCTEOSA-N
-F3547EDAE1D6DD9D_C8208CA8D6A4672B_6029_UN,C1CC2(C1)OC5=C(CN(C2)[S](C4=CC(=C(C3(C)CO3)C=C4)Cl)(=O)=O)C=CC=C5,NBAZHNKUBOMQNH-UHFFFAOYSA-N
-F41C2F427AFE40FD_FF4C9320C29E8F4A_6038_UN,O(C1=C(C=CC(=C1Br)F)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,UVAYKTWHMPXMLX-UHFFFAOYSA-N
-F49808D2D73C4985_AE607E16A54B9F0B_6029_UN,CC1(CN(C1)[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=NN=C(O3)C4=CC(=CC=C4)F,QQMPBZFJVXHVSK-UHFFFAOYSA-N
-F4AEAC5989C61C67_E65CE43BBB01DEC1_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=C(P(Cl)Cl)C=CC=C3)(=O)=O,STQBODOTDDWYIF-UHFFFAOYSA-N
-F64346CBADEF95FE_8E950F92730CC250_6038_UN,CC2=C(C(=C1C=C(C=CC1=N2)F)OC(=O)C3=CC=C(C=C3)N4CCCCCC4)C,VQKKQBMERHXUML-UHFFFAOYSA-N
-F67F02E11E92C742_9A73142CFF600ACC_6029_UN,N(CC1(CC1)C2(O)CCC2)[S](C3=CC=C(C=C3)C4=CC=CC=C4)(=O)=O,ODYNANUKLCEVAB-UHFFFAOYSA-N
-F7E9FD7FCE6561C0_67DFEB160D2F1329_6041_UN,O=[N](=O)C1=CC=C(C=C1)C2=NSC(=N2)NC3CC(C)(C)OC4=C3C=CC=C4,CHMAYCLSWCWZBN-UHFFFAOYSA-N
-F833FABEDD5D8771_59B3020C62F85ACF_6041_UN,OC(=O)C1=C(C=C(C=N1)[N](=O)=O)NC2=CC=C(C=C2)C3=NNC(=O)CO3,SZLQJUWXBHWVRY-UHFFFAOYSA-N
-FA339C0E51391F29_788E70D732EE10AF_6038_UN,CC1=C(C(=CC=N1)OC(CN2NC=C(C(OCC)=O)C2=N)=O)[N](=O)=O,SAFBNUSDPAFQQW-UHFFFAOYSA-N
-FA5D0C5125A3479E_0B6E6B83006AB7C9_6028_UN,N(CB(O)O)[S](C3=NN=C4N(C1=C(C)C=CC=C1C)C(=O)C2=C(C=CC=C2)[N]34)(=O)=O,PRIYKBRBDCEKKS-UHFFFAOYSA-N
-FA765041BB62ABF8_A7EC6764D5986054_6038_UN,O(C1=CC(=CC=C1)C2=CC=CS2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)O)F,GTJQSTREASREMY-UHFFFAOYSA-N
-rxn:1:49398:13252,CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cn(CC5CC(C)(C)C(=O)O5)nn4)cc3)CC2)cc1,YXDKFEXLTCYJNZ-UHFFFAOYSA-N
-rxn:1:62824:1102,CCC(O)(COC)c1cn(CC2CC(=O)N([C@@H](C(=O)O)C3=CCC=CC3)C2)nn1,REPRJCHUMSUKFJ-RPLTXICNSA-N
-rxn:2:104074:162580,CCC(Nc1ccc(N2CCN(CC)CC2)cc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,PNXARAPNHVGNTK-UHFFFAOYSA-N
-004229BBF39CF628_F4A7A014EACF0983_6026_UN,O=[N](=O)C1=CC(=C(N=C1)Cl)[S](=O)(=O)N2CCN(CCC2)C3=NN=C(C=C3)C4=CC=CC=C4,NMJABRDLOMJTNN-UHFFFAOYSA-N
-01B5B18A85201024_F435642191815DCA_6035_UN,COCC4CC(OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3)C4,LJXCLPCEGKJHSG-UHFFFAOYSA-N
-03070D4270714AA4_BC789415F3E676FA_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3(N)CC4=C(CC3)C=C(C=C4)Br,CLCCKLZKXUVKQG-UHFFFAOYSA-N
-03E8051C77AB766C_A5C22F14D88747EA_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,YOVLNFLYRVGJGR-UHFFFAOYSA-N
-0485A5FCA87DADAE_26124A6D161A8909_7019_UN,CC1=CC(OC(=C1)C=CC2=C(O)C=C(C=C2)C3=CC=CC=C3)=O,RXMKSHCLAFATBZ-UHFFFAOYSA-N
-04B3B8E30F8DD8B6_9BA38A9CF5543421_6029_UN,OC1(CCN(CC1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=C(C=CC=C4)Cl,FVMDQURCHKYDBF-UHFFFAOYSA-N
-06D36D6F52B5EFE9_133AB87FC8423A8E_7013_UN,N2=C(C1CC1C(C)(C)C)[N](C3=C2C=C(C=C3)Cl)C4CC4,FJOUEJRKHNKUMS-UHFFFAOYSA-N
-06D50C56011873B8_3808EBA87CF0B092_6028_UN,N(C1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,PGLDKUJVOUGPIY-UHFFFAOYSA-N
-0743935F93B1D33E_01A18FB249241FDC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3C[C@@H](OC)[C@H](C3)OC,LAGWSVWIVPZDBW-AGUYFDCRSA-N
-077CC6F6CE3BCBCC_A7211665C3634581_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,PTJPGHWHHPOPEQ-UHFFFAOYSA-N
-078397C37E6DF292_0F72ED437B9DB440_6029_UN,N(C(C1=CC=CC=C1)C2(O)CCC2)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,FLMFKRRYVFPFTP-UHFFFAOYSA-N
-0986349389FD837A_F62C383F28FAEC40_6038_UN,N(C1=CC(=CN=C1)C2=CC3=C(N=C2)[NH]C=C3)C(C(NO)CC4=CC=CC=C4)=O,GULFBDOLVDUHLB-UHFFFAOYSA-N
-09BAA29DF38005E9_3CF5AFD4DEAE7615_6041_UN,C2(=N[N]1C=CC=CC1=N2)NC3=C(C(OC)=O)C=C(C=C3)OC4COCC4,OUXMDCQRYPOCFS-UHFFFAOYSA-N
-0AC14DEB04185C65_0FCB2A2FA292DF94_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CSC(=N3)C4=C[N](C)N=C4)(=O)=O,CNFODTWCFMPYAF-UHFFFAOYSA-N
-0AD4E6AB67DD18B4_7D03B4625EAC25D6_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](CCOC)(=O)=O)C=C4,BCFZIPKKPXQZML-UHFFFAOYSA-N
-0BFF7CA4864756D0_E7BE4A97C55CA57A_7022_UN,C1(=CC=C(C=C1)CC2CC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,RPNQJTAXBMACGF-UHFFFAOYSA-N
-0C0514CF29E5664D_9CFA9233C4FCFC20_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)(F)F)C=C3)(=O)=O,KOCWTUKCRBIKRT-UHFFFAOYSA-N
-0CF8B36215BBBA76_D6899453CC1D148D_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=CN=CO3,VIHMIVGMHAXBGW-UHFFFAOYSA-N
-119C16461BEDC155_4385609652A985C4_6038_UN,N(C1=CC=C(C=C1)[N]2C=C(C#N)C=N2)C(=O)CC3=CSC4=NCCN34,ZIRXPAHQHISEOS-UHFFFAOYSA-N
-123791204D4E98C6_A71E9C537155FDF2_6004_UN,CC[C@H](CO)NC1=NC=C(C=C1)C2=CC=CC(=C2)C(C)C,BAPZLIQLQKUBAI-QGZVFWFLSA-N
-1246DF2875E1D70D_F395FAE2756BF942_6029_UN,N(C1(CC(C1)(F)F)C2=CC=CC=C2)[S](C4=CC=C(C(C)N3CCCC3)C=C4)(=O)=O,JCQDIXMUMZTIHW-UHFFFAOYSA-N
-1343C618F3FB08D1_91DA47B76DF3AF63_7019_UN,OCC=CC=CC2=C(N1CCN(CC)CC1)C=CC=C2,ZJUATKWYUQTYQZ-UHFFFAOYSA-N
-13A34E340D338A34_DF38683064A11F10_6029_DP,N1CC2(C1)CC(C2)(CN[S](C3=CC=C(CF)C=C3)(=O)=O)C4=CC=CC=C4,MWEGNCYWMFMREZ-UHFFFAOYSA-N
-1420147811E8A86B_DFF3E4C41A723302_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=C(C=C(C)C=C2)F)(=O)=O)C3=CC=CC=C3,AJPJUELKFMFQRI-GDBMZVCRSA-N
-16659B415FC7C60A_1BA4279D387BA993_6038_UN,O(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[S](=O)(=O)O,DIMOVYNVUZHWSA-UHFFFAOYSA-N
-166B631137C9AA1E_674F39CCED0EC0F5_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,JACMIBJTOMIQAT-UHFFFAOYSA-N
-1714B7B3828FAF22_C766B1BC42367A74_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(OC)C=C3)(=O)=O,YOJKDAJWQKEJDW-UHFFFAOYSA-N
-17911F8EA349F002_0AC993C842F53E7D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3C(N(C)CC3)(C)C,HGKJXNVOQJQEGM-UHFFFAOYSA-N
-184E4E986B7E786B_26C48E365D887022_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Cl)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,BRSPXTKKTKUQMF-UHFFFAOYSA-N
-18A3128963205638_3A04EC8745A3C70D_6038_DP,N(C1=C(C=CC=C1)COC2=CC=CC=C2)C(C3=C(CO)C=CC=C3)=O,ZAARKLLPSVSEPJ-UHFFFAOYSA-N
-1A8DA44BCB9F4916_486410379CB29281_6009_UN,C2(=CC1=C(C=CC=C1)C2)C3CC(OC4=C3C=C([S](Cl)(=O)=O)C=C4)=O,NXCYSGDSOKLJHO-UHFFFAOYSA-N
-1AB859816426D4DF_D5BA420C46A583BF_6041_UN,O=[N](=O)C2=C1N=CC(=CC1=CC=C2)NC3=C(C)C=C(C=C3)N4CCSCC4,OXMQHJDIKSQJAD-UHFFFAOYSA-N
-1C2E98E1B482896F_3AFC667E5217C3E8_6028_UN,N(C1(CCCC1)C#C)[S](C2=CC=C(C=C2)C3=CC=CC=C3)(=O)=O,XVJBEWPBBIRMCE-UHFFFAOYSA-N
-1D63E3115F5BA1B4_3CEC91A060C3AC1D_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=CC2=C([N](CC(C)C)C=C2)C=C3,AVLBNQSDEDNAKZ-FQEVSTJZSA-N
-1DE3F4B979A6732F_CCD2F34ED9034195_6029_UN,N(C1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4CCCCC4)(=O)=O,RAIXAQWFDJBOGF-UHFFFAOYSA-N
-1E64EFCF2A2AD59F_6FCE2AC0A05FED58_6038_DP,N(C1=CC(=CC=C1)COC2=CC=CC=C2)C(C3=C(CO)C=CC=C3)=O,ZIPWNOLODXCYMT-UHFFFAOYSA-N
-20C6DFB6E68651EB_1B8E54CAF32A7D4B_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=C(C)C=N[N]3C,WNTBXQQDKSDYBO-UHFFFAOYSA-N
-23FF9A8E2D41B108_3A1272D4F21F5EC7_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C(CCl)C=C3OCCCOC3=C4)(=O)=O,YYDAVAYOYXODJK-UHFFFAOYSA-N
-24451D96FE54AC20_CDB93C95063382FB_6041_UN,C1(=CC=C(C=C1)OC2=NC=CC=N2)NCC(C)(O)CO,TWQTWRMABHTBKO-UHFFFAOYSA-N
-245ED9BDA56847E5_DFFA087BC1DECF47_6029_UN,N(C1C2=C(OCCC1)C(=CC=C2)F)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,VBPXKKBTAGNENZ-UHFFFAOYSA-N
-247FB1ED213F9B2A_93E34B22186D1AB5_6038_UN,CC3=C(OC(C1=CC=CC(=N1)N2CCN(C)CC2)=O)COC3=O,PRTMXGNJPQJNER-UHFFFAOYSA-N
-25346BF834A76819_C828B8402C5FDE99_6026_UN,[S](=O)(=O)(C1=CC=CC=C1)NC2CCC(C)(CC2)C3=CC=CC=C3,OZPDRWYIDVDZIQ-UHFFFAOYSA-N
-259474669114ACD7_581A82D89894142A_7019_UN,CC1=CC(=C(C=C1)C)C=CC2=C(O)C=C(C=C2)C3=CC=CC=C3,WOIKHLZGSCRAFF-UHFFFAOYSA-N
-25D140AC701ABBB7_ABA936709E6B5BE7_6034_UN,C1CC2=C(NC1)C=CC3=C2N=CN3CC([Si](C)(C)C)C4=CC=CC=C4,GBPJIXYNCWOZTF-UHFFFAOYSA-N
-25E3D62E1D6DE821_5D344B60ACF8388C_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C(C(OC)=O)C=C3OCOC3=C4,FALTZKOYXLJZID-UHFFFAOYSA-N
-26160E9DFAEEDD45_A6510F630FF87413_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NC(CCC)(CCC)C#N,YTSRZCKAPWYZBS-UHFFFAOYSA-N
-268067CA881A5D9F_C94A6E20B64732AB_6031_UN,C[N]1C=C(C=N1)C2=N[NH]C=C2C(=O)OCC(OC)(C)CN,WRHDOXKMYOGYKR-UHFFFAOYSA-N
-2735FDFE73BD643B_1991D47DB41AAE2D_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,XONINMDAZSTLQB-INIZCTEOSA-N
-2746EDAD18B5D987_EDE3B01FAFEF7D20_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC3=C2C=CC=NC2=CC=C3,YUOGTPJIIDWQAW-KRWDZBQOSA-N
-287F4823EA9D5F47_D88E7A78B2E45A9D_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NC3CCC(C)C4=C(C3)C=CC=C4,YTAYCZGDJAKZJQ-UHFFFAOYSA-N
-2AEEE0B6F5BB48FF_54A5D5B2375C9604_6035_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,UILIEVUAWMJFPN-UHFFFAOYSA-N
-2C017CAB0FA8A77E_01CB7A363F433442_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=NN=C(N3CCCC3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,IYABDXSTIQKXDF-UHFFFAOYSA-N
-2E3ABEF420943311_746F06ECBAD5FDF1_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC(=CC=C3)C4=CC=C(C#N)S4,CXIOYVKLAFSRGZ-UHFFFAOYSA-N
-30F025DC1FC8E9AC_A4C201151A7E65BE_7019_UN,C(C1=C(C=CC=C1)C2=CC=CC=C2)=CC3=CC=CC(=C3O)C,PTOIPHXYVDIVNK-UHFFFAOYSA-N
-32A6D3810C19149A_914A3B52F4A032AE_6038_UN,CC3(C)CC(NC(C1=CN=C(N(C)C)C=N1)=O)C2=C(C=CC=C2)O3,IDONEXIFXATPIP-UHFFFAOYSA-N
-34EAB52399E620AF_26AA76B9B4AD0323_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)NC(CC)C2=NN=C3CCCCC[N]23,BYXVVOLFMIAHJA-UHFFFAOYSA-N
-352D1AA77ACB2677_4BE46FA9A322670D_6029_UN,N(C[C@@H]1[C@H](C1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,JLDOKSLVZFSSQO-DENIHFKCSA-N
-380D0AE8B44DD06A_31D7B0B3CBE2394A_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(OCCCN(C)C)C=C3)C)(=O)=O,AZZKQIXAOKQEQX-UHFFFAOYSA-N
-384B6E8DF363CD14_9CEA8C3BBE8ECF6F_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3NCCC3)CC(C)(C)C(C)(F)F,QISYRVXRQBSMGT-UHFFFAOYSA-N
-39E9737F8C179684_374414361243B0EC_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CSCC3)CC4CCN(CC4)C5=NC=C(C=C5)[N](=O)=O,XKDNFQUCACPUDR-UHFFFAOYSA-N
-39EF62BB627EEDBA_3D5BD8D9CDDB9CDF_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC3=C(C)[N](N=C3)C[Si](C)(C)C,QCYGHZVFVZGDMS-UHFFFAOYSA-N
-3AB40BD00660EA48_047A1FA0BCA405E0_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]3N(CC2=N[N](C)N=N2)CCC3)=O,NHWJUGJNXJIXON-GFCCVEGCSA-N
-3AED65452070C6AD_47644EAEDFEDB178_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(C3=C(C(OC)=O)C=CN=C3)=O,GZYLAPRNYCTHAT-UHFFFAOYSA-N
-3B0242D1F274EB42_058825A8B79425F2_6026_UN,[S](=O)(=O)(C1=NC=CC=C1)NC(C)C2(CCC2)C3=CC=CC=C3,KVESYECUHXABQY-UHFFFAOYSA-N
-3BE626003FD5E1B1_B15283B100A22436_6036_UN,CC3=CN1C(=NCC(C1)N(CCN)[S](=O)(=O)C2=CC(=CC=C2)Cl)C=C3,WAALSOVLHAZUHZ-UHFFFAOYSA-N
-3C22454044E5D2D6_307FB58ECD6D2404_2875_DP,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3(CNC3)C,MAEDJZHGBMQZSC-UHFFFAOYSA-N
-3CAAE80C09AB5B32_C397B109B9C2F463_6041_UN,OC(=O)C1=C(N=CS1)NC2=CC=C(C=C2)CN3CCOC3=O,NPJNYTGBXQFOLG-UHFFFAOYSA-N
-3CAAE80C09AB5B32_E92B7C3913D8F79B_6041_UN,OC(=O)C1=C(N=CS1)NC2=CC=C(C=C2)CN3CCOC3=O,NPJNYTGBXQFOLG-UHFFFAOYSA-N
-3CCC3F7212763E8C_087F96E9A89B9DE6_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=CC2=C(C(=CC(=C2)C)C)[NH]3)=O)C=CC=C4,ODGLKCKQQUMLKW-RHSMWYFYSA-N
-3D173C96A856BA6D_8B211F055878A88D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CC2)C3=CC=CC=C3,GQQTVEXCOKGNPR-UHFFFAOYSA-N
-3E5F3691C8FB1111_4E6D14D5BF7F6738_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)NC3=C(C)C=CC(=C3)CN4CCSCC4,ZAAFJEKVBVYJMQ-UHFFFAOYSA-N
-3F5443693DBA997C_BB912FF34C1CAF87_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC5=C([S](N(C)C4CCCCC4)(=O)=O)C=CC=C5,MRRJEMGKHBTZDC-UHFFFAOYSA-N
-40093FC71635C337_435D770BF232834E_6041_UN,CC(C)OC1=CN=C(N=C1)NC2=CC=CC3=C2OC(C)(C)CC3=O,YRKQQKUUQOATQK-UHFFFAOYSA-N
-4191792B5F44D1C5_712DC704632DA09C_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=N[N]2CC3CCN(C)C3)(=O)=O,YRHXOGWGOCBOTC-UHFFFAOYSA-N
-41F41A2AB3ECE6B5_3F79E452E7017479_6026_UN,[S](=O)(=O)(C1=CC=NC=C1)NC2CC(C)(C2)C3=CC=CC=C3,CHXGCNPETMJUAI-UHFFFAOYSA-N
-433E609F5974B3AA_F9B08DF94D5E60B5_6003_UN,O(C1CNC1=O)C2=CC=C(C(C=CC(OC)=O)=O)C=C2,XSOHJUOCNXOKQT-UHFFFAOYSA-N
-437EFD72ADD8EAFE_BCA159CB7CAA07A5_6038_UN,CC1=C(C=CC=C1NC(=O)C2=CN=C(N=C2)N3CCOCC3)[N](=O)=O,HNGFWUAHRQODIW-UHFFFAOYSA-N
-44AE0A04C10F344D_14B5416616330EEE_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=C([N](C)N=C2)C3CNC3)=O,URFMMMBBTXOSDU-UHFFFAOYSA-N
-455DF276B1A92C8C_4B18B91274F036A0_6034_UN,ClC3=C(C=NN(C2=NC1=C(C=CC=C1)N2CC(=C(C)C)Br)C3=O)N4CCNCC4,JQDRJHHFTBONMZ-UHFFFAOYSA-N
-46B03C730D4A4943_11768BD70304B60A_6038_UN,CC3(C)CC(NC(C1N=CN(C)C1)=O)C2=C(C=CC=C2)O3,QXDSYKLZYUIAOL-UHFFFAOYSA-N
-46DD59F0574BC6E8_9946EC378D1DCEFF_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,OFUOITXVKDZWCM-UHFFFAOYSA-N
-4A70EEAB7687444C_1B98AF221898D842_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=CN=C([S](CC)(=O)=O)N=C4,AMVWVLPNNNNEHJ-UHFFFAOYSA-N
-4B27D62882BF2BA1_87745C71B62BE9AC_6041_UN,SC2=C1C=C(C=CC1=NC=N2)NC3(CC[Si](C)(C)CC3)C4=CC=CC=C4,ZCHJJJSFMJRXFD-UHFFFAOYSA-N
-4B2BE60F84B64B77_96947214DE96CD5F_7019_UN,CCN3CC(C)(C=CC1=C[N](C)N=C1C2=CC=CS2)C3=O,VYGJTXMUCUMOPJ-UHFFFAOYSA-N
-4E448C35A2FCF263_A56ECDFFDA5DE2DD_6003_UN,CC(C)N3CC(OC1=CC=C([N](=O)=O)C2=C1N=CC=C2)C3,NKCMZESHNYFVRJ-UHFFFAOYSA-N
-4E65E4BF944736A4_C1F748E04B511488_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NCC(CCC)=O,LFUNKIZAAQKYPK-UHFFFAOYSA-N
-4ED15D935B6D89C9_614BF67AD068504F_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C2=CC3=C(C=C2)OCO3,FMCLJHTYCUJTMV-UHFFFAOYSA-N
-4F3A53A87BE7D4CE_82406FDE97D7E59A_6039_UN,C[Si](C)(C)C#CC(OCC2=CC1=NON=C1C=C2)CC3=CC=CC=C3,NPNKUDFJGAVGAK-UHFFFAOYSA-N
-4F7322879572E80C_E09E7024A464F469_2875_DP,O[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C(C3=CC=C(C(C)(C)C)C=C3)=O,YGFXAUCVCOYPLU-HDJSIYSDSA-N
-52839A438360E130_280C96E022B44A43_6038_UN,N(C1=C(C=C(C=C1)C2CCOCC2)F)C(=O)C3=N[NH]C=C3[N](=O)=O,BTLXPCMKGFIVCR-UHFFFAOYSA-N
-53C55FD63904F443_4C97357D28D88C10_6028_UN,CC1(CC(C1)N[S](C2=CC=C(F)C=C2)(=O)=O)C3=CC=CC=C3,QSLVNJCHHYUKAE-UHFFFAOYSA-N
-549F240BC21BD38A_CB35026E85BC52F4_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCCCC(N(C)C)=O,YALFCRAZWDXIBJ-UHFFFAOYSA-N
-556F09F80ECD8E97_665BA17B95C53F78_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C(=O)N2CCOCC2)NC3=C[N](C[Si](C)(C)C)N=C3,PSASLKSMUPPDIN-UHFFFAOYSA-N
-557A685F4730755E_5802701BF970B802_6041_UN,C1(=CC=C(C=C1)C2=CC(=O)CCC2)NCC(CCC)=O,DPHVIGNAGMLLOL-UHFFFAOYSA-N
-56145E1B2FC8040B_3ABDEA5C54670E7A_6038_UN,N(C2=C1C=CC=NC1=CC=C2)C(=O)CC3(CCOCC3)[N]4C=NN=N4,GSNLSFOAVMEYOA-UHFFFAOYSA-N
-58404F0FC381ABC9_633AA6C2A97DF023_6027_UN,N(CC1=C(C=CC=C1)C2CCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,NUEMGWUESBNSFH-UHFFFAOYSA-N
-5DFF5099611D00C7_F610E07A943D6BAC_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=CC=C(C=C3)C4(CC4)C#N)(=O)=O,VYOZPNLFRHXMEW-JKSUJKDBSA-N
-5E285FA2FEF60FFE_9F82407EA0E1A450_6038_DP,N3C[C@H](OC(C2=C(OC)C=C1OCOC1=C2)=O)CC3=O,PSTHSGWJLGCVHC-SSDOTTSWSA-N
-5E8E4631B4255C6A_F71F44E588093339_6041_UN,CC(C)(C#N)C1=C(C=CC=N1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,PNGLTNPABJRBOU-CLYYMRHHSA-N
-5EACCB4E8F6C9414_A9B80794F09D6950_6029_DP,N(C(C1CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,NNJUBGHDURNICV-UHFFFAOYSA-N
-5F3DEB40C4082175_B41519A6415B88E5_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,HDOTXEWNPNPCQT-UHFFFAOYSA-N
-601011AC6494BDFD_2FCD730C9F07F6A8_6038_UN,CC2=CCC(NC(C=CC1=CC=C(CC)C=C1)=O)CC2,KKFPZZYQYKNJIM-UHFFFAOYSA-N
-605FD1B99844415E_0FE723390C87C858_6038_DP,O(C(C1CC1)C2=CC=CC=C2)C(C3=C(CO)C=CC=C3)=O,SVIIKRSOJBTGMO-UHFFFAOYSA-N
-60E9B33E7F0277A5_B3B036BAC8B778D6_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2C)C3CC3)(=O)=O,YMYKWZSWKMBTGV-UHFFFAOYSA-N
-6130981504447E54_47C8F3FED25248CE_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C(OC)C2CNC2)=O)C=CC=C3,GCMKGNITLXDCIQ-BAOLWLNASA-N
-62B6E2FC29D87FD2_4B4F0294C93CDF48_6029_UN,CC1(CC(C1)N[S](C3=CC=C(C2(F)CCOCC2)C=C3)(=O)=O)C4=CC=CC=C4,WIWGYBKLMPUSNK-UHFFFAOYSA-N
-63561F73C50D1B86_C28CA6E05A24D7E2_6029_UN,O=[N](=O)C1=CC2=C(C=C1)CN(CCO2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,DZMHKEBKGQZOMR-UHFFFAOYSA-N
-650CD928224656F2_51209A4A86B196E0_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=CSC(=N3)C4=NC=CN=C4)=O,JGZKWWMTVXDHOF-UHFFFAOYSA-N
-652C7E191CB1F0FF_9381C85CAB5800D1_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C[C@@H](CC)N,MDUBRRHJRGKZAT-SNVBAGLBSA-N
-6589744678C7F8AE_6A7B447ECE3AE88A_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C3=CC=C(C2(OC)COC2)C=C3)(=O)=O,PZFAHXBAFJQRNY-UHFFFAOYSA-N
-66DC1CF9A61C1A47_CFC459DC12172E62_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC3CCC(C)(C)C=C3,IEGGJNVEYPLYPO-UHFFFAOYSA-N
-680DD407616CC52F_A1F59440D59F972C_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)N2)N[C@@H]3COC[C@H]3N(C)C,YTXRCXOBHONJCE-VXGBXAGGSA-N
-683DD98EBAABE9CD_C8B6C771FD3B8AB0_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NC3C(N(CC)CCC3)=O,BWTDIRFPKRSPDG-UHFFFAOYSA-N
-6B2ACAAD8B80EAA1_C99B2AD485983D60_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC3=C(C)[N](N=C3)C[Si](C)(C)C,IHCFTKFIFSOBEI-UHFFFAOYSA-N
-6BBE7DF4E00A9F25_1FDF782ECCFEA117_6008_UN,COC1=C(C=C(C=C1)CO)C2=CC(=O)C=CN2CC3=CC=CC=C3,YUCJGAIKJCEJMW-UHFFFAOYSA-N
-6C277A6FD436A1BF_DB6994A2B135EB7E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(OC)C=CC=C2C)=O)C=CC=C3,BEPFJGWVOOHWJC-UKRRQHHQSA-N
-6D9F6B53B1B120D6_6F793FD5488A728F_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CC=C(C(CC)=C)C=C3)(=O)=O,REXZNEZYXPMUFQ-UHFFFAOYSA-N
-6E338ED1A6DFED31_851360B0C955A0E7_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C4=CC=C(C3=C(F)C=CC=C3)C=C4)(=O)=O,QPOMNZIMKUNKLB-UHFFFAOYSA-N
-713B3E1CEB1C16CE_AC85E1B311B8442E_6039_UN,O(C1=CC=C(C=C1)N2CCC2=O)CC(NCCN(C)C)=O,AHOLOTHYMSJGHH-UHFFFAOYSA-N
-7140CF8D26E6C900_F431B30B566E2FD6_6035_UN,O(C1CN=C(NC1)CCl)C2=C(C)C=C(C=C2)NCC(C)(C)C,YMAWSIIXOCOYBC-UHFFFAOYSA-N
-71FDCA2737ECD2CA_38145222D7F75879_6041_UN,C1(=CC(=CC=C1)N2N=C(CC2=O)C3CC3)NCC(N(OCC)C)=O,MZHKWIXBHMUJHD-UHFFFAOYSA-N
-727A0D4FC1CE7D63_4039B0399EE9A8D2_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NC5=C(C(C)=O)C=C4OCOC4=C5,BOLBFJXELLKBDA-UHFFFAOYSA-N
-733CC432D086CDC7_82B7E68FFA92B859_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC(=C(OCOC)C=C3)F)(=O)=O,GUKOVOCRMZVYRK-UHFFFAOYSA-N
-738AAED0393BA793_2138376F5F61AD62_6029_DP,FC1=CC=C(C=C1)C2CCN(CCC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,QZXYQURCGNXMFQ-UHFFFAOYSA-N
-76215F9E5DF85561_E99C96764DABD364_6041_UN,CC(C)(C)C(=O)C(C#N)C1=CC=C(C=C1)NC2(CCC2)C3=NN=N[NH]3,BUOIGELWWKXRSZ-UHFFFAOYSA-N
-764108A27CA8343B_CD86F9B769E623E8_6038_UN,CN1C4=C(CC(C1)NC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)C=CC=C4,AZABRHJXICAAMZ-UHFFFAOYSA-N
-7809FED80F2A8007_E1E58E78D6205B6A_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)[C@]34C[C@H]3[C@H](C4)C5=CC=CC=C5,RLQMMAZLULVXSR-GQIGUUNPSA-N
-7844B112DDA80FB1_6FC2B0AA179817D7_6028_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=C2C=CC=CC2=NC(=N3)C4CC4)(=O)=O,REXSPHRPBOMRKN-KRWDZBQOSA-N
-786D19DF8220AA25_E5FE1CEB212530BF_7019_UN,C(C1=C(C=CC=C1)C2=CC=CC=C2)=CC3=C(O)C=CC(=C3)C4=CC=CC=C4,AZFBTSUMSRKUTP-UHFFFAOYSA-N
-7B496EB3313865A3_31E3EA2D271946E4_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2=CN=NS2)N3CC(CO)(C3)O,NAGBNQSNRCECQL-UHFFFAOYSA-N
-7B590D5A16042ABD_CD697485EB61100E_6041_UN,FC1=CC(=CC(=C1)NC(CC)(CC)C2=NN=N[NH]2)C3(CC3)C#N,ITNPJQKIQLGVGR-UHFFFAOYSA-N
-7DF49631A7503BCD_924321C4BA1466F2_6029_UN,CC1=C(Br)CN(CC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,LUKOGXNDCHRGQO-UHFFFAOYSA-N
-7E6C5B83F8560FF4_1039DBDD61FFDB9C_6038_UN,N(C1=C(N=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC(=O)N3O,LKVMDTYAGYKVAW-UHFFFAOYSA-N
-7EF97AF29799DEFA_D040D156F864D9E7_6029_UN,CC1C(C1)C(N[S](C2=C(CO)C=CC=C2)(=O)=O)C3=CC=CC=C3,WVIWFXCRWVKZRJ-UHFFFAOYSA-N
-7F25B74C59A6C0A0_D0C7F2370E2DCF83_6029_DP,O[C@@H]1C[C@H](C1)N[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,NTXVLCZCLLBJEG-HAQNSBGRSA-N
-80714C4B708AD889_A6FA9B2F66DFA8C3_6038_UN,COCCOC1=NC=C(C=N1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,PBXVLBBLRMQZRW-UHFFFAOYSA-N
-828147235B0C7BDF_FC58A0C5931C564E_6029_UN,CC1(CC(C1)N[S](C3=CC=C(C2(O)COC2)C=C3)(=O)=O)C4=CC=CC=C4,WRVOJUWUDSZOFO-UHFFFAOYSA-N
-83982D0D157964EA_8E8BF5566D083C90_6029_DP,N1CC(C1)C(N[S](C2=CC(=CC=C2)C3(CCC3)C#N)(=O)=O)C4=CC=C(C=C4)F,RYZRDVRFGWMTQG-UHFFFAOYSA-N
-84946E3EC7DA808F_01B55AFDE4C7CD71_6035_UN,O(C1CC(C1)C2=CC(=CC(=C2)F)F)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,ITNHYELBCNALJK-UHFFFAOYSA-N
-8AC0E93674CC4D30_CE81057BAE3FB871_2875_UN,OC(=O)[C@H]1C[C@@H](C1)[N]2N=NC(=C2)C3=CC=CC(=C3)[P](C)(=O)C,CLWZSDLLYUWRBJ-HAQNSBGRSA-N
-8E449850E404C304_E7607B1A9CC0CDAA_6029_UN,CC1C(C1)C(N[S](C2=CC=C(CCO)C=C2)(=O)=O)C3=CC=CC=C3,OQEFXVLTNNLWDP-UHFFFAOYSA-N
-8E727BF71E01D345_73907CE74BE687C5_6029_UN,ON(CC1=CC=C(C=C1)F)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,HBJRUTDPDANUSE-UHFFFAOYSA-N
-922F5EF2802F3EA4_1562646116C239B0_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CC=C(Br)S2)C=C3,NDRZJYGEASXKDP-UHFFFAOYSA-N
-92F120E4C647AC6C_FD6FF7DE56E099EB_6041_UN,C1(=CC=C(C=C1)C3CN2CCSC2=N3)NC4(CN(C)CC4)C,XFOHIPMEBAASCM-UHFFFAOYSA-N
-951A043921101C23_12311DF967C3EAB2_6028_UN,CC1(CCC(CC1)N[S](C2=CC=C(F)C=C2)(=O)=O)C3=CC=CC=C3,QZPKXQPZIUQLGZ-UHFFFAOYSA-N
-9522EBB6F3118103_A9324253574E559C_6029_UN,OC1(CN(C1)[S](C3=C2OCOC2=CC(=C3)CC#N)(=O)=O)C4=CC=CC=C4,ZGPHWRQDSBJOMO-UHFFFAOYSA-N
-96ED3C4D48AC55E4_F2596A5314729DE7_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(=O)C3=C2C=C[N](C2=NC=N3)C4CC4,GZGPEPFCRZIOKR-UHFFFAOYSA-N
-9765D1864E7225F1_EE83F575E559EA5B_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)NC4C3=CC=CC(=C3OCC4)CC,ZWOUDAUJYSUMEG-UHFFFAOYSA-N
-97E593DC4C133BE6_AF7A1DD73C6B583A_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CCOCC3)C=C4)(=O)=O,FZEICIRRGKIJFS-XUTJKUGGSA-N
-97FDEA05453CED1D_9B26AA83949B4940_6029_UN,ClC1=CC6=C(C=C1)C(=C2CCN(CC2)[S](C4=C([N](=O)=O)C=C3OCCOC3=C4)(=O)=O)C5=C(C=CC=N5)CC6,IAZHTXWRWNPSTJ-UHFFFAOYSA-N
-98B43B8891AD8C39_B415204971888B2A_6029_UN,O=C(OC1=CC=CC=C1)N2CCN(CCC2)[S](C3=CC(=C(CO)C=C3)I)(=O)=O,UHTRNAXOVBTTBV-UHFFFAOYSA-N
-98C892FA0019ECF0_4A0B50DC7425945F_7022_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[S](=O)(=O)O,JHIILSCOSGZLRV-UHFFFAOYSA-N
-99CC9E8867D27FA6_15FD0FF60869E1C3_6029_UN,CC1(CCC(CC1)N[S](C2=CC=C(C)C=C2)(=O)=O)C3=CC=CC=C3,WFKJSONANATJIE-UHFFFAOYSA-N
-9C0F1C2862113A4E_CC06A7FEEC9DEB82_6029_UN,N(C1(CCCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3CC(F)(F)C3)C=C4)(=O)=O,CDCZKZYVLKSBCW-UHFFFAOYSA-N
-9DB6A00B3F834EC7_D545F81A7DAFB436_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NC3=C[N](C[Si](C)(C)C)N=C3,CHNAHAFAIUZWJM-UHFFFAOYSA-N
-9F1ABAEAD789914B_861A5FB4D06C9BFC_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,DJBYMKCVCINODK-UHFFFAOYSA-N
-9FE4801B9FE7BC98_176E211EC602870F_6038_UN,CN(C)CC1=C(C=CC(=C1)CNC(=O)C2=CC=CN3C2=NCC3)F,QDXCUYKJOUGKRK-UHFFFAOYSA-N
-A134FAE9EA751114_A034EDEDACDC7BA4_6038_UN,N(C2=C[N]1C(=NN=C1C=C2)C3CC3)C(C(NO)CC4=CC=CC=C4)=O,SSUMEGVVCGIZLI-UHFFFAOYSA-N
-A377E80F4D14BF92_9A1B677291997EF2_6026_UN,[S](=O)(=O)(C1=NC=CC=C1)NC(C)C2(CCCC2)C3=CC=CC=C3,ZSQNYOHGAKRHQL-UHFFFAOYSA-N
-A3C1B145F0956356_14DF84E9ADFE1596_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=C(OC)C=C2)C)=O)C=CC=C3,FQBDQMRDNAFSQI-CZUORRHYSA-N
-A4F045C8DB9D3B8D_D8F631BAB9D71AE6_2875_UN,O[C@@H]1COCC[C@H]1[N]2N=NC(=C2)C3=CC=CC(=C3)[P](C)(=O)C,NOITYKVOALOGJX-HUUCEWRRSA-N
-A50CFAA933245ABE_4A42EFCFE082F767_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OCCC2)N4CC(C3(C(F)(F)F)N=N3)C4,NXWLAOUGYAJFRE-UHFFFAOYSA-N
-A5D1A7EF714F47E0_6303D2206206B2F9_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)Cl,DHNCSTHRPWJZOV-UHFFFAOYSA-N
-AA1AC5C929FE25E5_CE734C39E7010EF8_6026_UN,[S](=O)(=O)(C1=CN=CC=C1)NC2CC(C)(C2)C3=CC=CC=C3,HHNGYXKJEJVMTB-UHFFFAOYSA-N
-AA428827BF12C694_048E4E3393E9A8DD_6038_DP,N(C1=C(N=CC=C1)C2=CC=C(C#N)S2)C(C#C[C@@]3(CCCN3)C)=O,GUZNJJGWNDEZQI-SFHVURJKSA-N
-ACBF3B17B1C79FFB_385368D40D0ADBD6_6029_UN,CC[C@H](N[S](C1=C(F)C=CC=C1C2CC2)(=O)=O)C3=CC=CC=C3,OKSLOXYUWDLGPW-KRWDZBQOSA-N
-AECEDC73BDF3E010_D2C88DE72A464B76_6028_UN,N(C1(CCC1)C#C)[S](C2=CC=C(C=C2)C3=CC=CC=C3)(=O)=O,HASYWPPLMUZZJE-UHFFFAOYSA-N
-B0311D7818BFF4D3_A18240E99A6A2B71_6038_UN,CN1CCN(CC1)C2=C(C=CC=N2)CNC(C3=CN=CC(=C3)C(C)=O)=O,QMJUBQSJGVMQKA-UHFFFAOYSA-N
-B0BD8C2A062C93CC_8D0B9C15B77EE56A_6038_UN,CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,LHGGXYSDGNEGNR-UHFFFAOYSA-N
-B21296A7E3256649_F6919BF0D2625E68_6029_UN,C1CN(CCN1[S](C3=C(OC2=C(C=C([N](=O)=O)C=C2)Cl)C=CC=C3)(=O)=O)C4=NC=CC=N4,NCVJHTFEHTYGGY-UHFFFAOYSA-N
-B306532B7C899337_E4B05975E51BE727_2875_DP,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3(CNC3)O,ZJKBYFRWKNGACB-UHFFFAOYSA-N
-B74D1A108B9CBEB0_4C48FB7E90B962F8_6038_UN,CN(C)C2=NN=C(CNC(C(CC)OC1=C(C=CC=C1)C)=O)[NH]2,RPNOJPFAHMOYMD-UHFFFAOYSA-N
-B9767C2AD2ECB85B_9E71E8BD9A2A1E4F_6038_UN,CC4(C)CC(NC(C2=CN=C(N1CCN(C)CC1)S2)=O)C3=C(C=CC=C3)O4,LPHZAQUHUZKGNL-UHFFFAOYSA-N
-B9EF19FEC34DB547_767978318FD8BC13_6035_UN,CC(C)[N]1C=C(N=N1)C(C)OC2=C(C(NO)=O)C=CC=C2,QHMWGMPTUKXSAS-UHFFFAOYSA-N
-BA6AAC52A51CF305_F7A5D8018D88D924_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=NNC2=O)C)=O)C=CC=C3,YNFOPQIACSBLIW-ZWNOBZJWSA-N
-BB21841C5B49B984_14C576C95BEE78E5_6038_DP,N2CCC[C@H](CNC(C=CC1=CC=C(CC)C=C1)=O)C2,MYGMVEVFBSKLPH-INIZCTEOSA-N
-BE3BAAB785563FFA_74BC7C73A2AE9FEA_7019_UN,OCC3(C=CC1=NC2=C([N]1C(C)C)C=CC=C2)COC3,DVSIMZOEFBDANK-UHFFFAOYSA-N
-C0280E558C6BB249_BEEE53A466C62AE9_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,OWCSITATOGHEEP-UHFFFAOYSA-N
-C3700E37E7F0B0B0_970628CEB7B40201_6041_UN,CC1(CC1)C2=NN=C([NH]2)NC3=CC=C(CO[Si](C)(C)C)C=C3,UFHPMGSPNKAJBK-UHFFFAOYSA-N
-C46EAFF43E4F9F70_A81CFE737DCEA606_6027_UN,CC1C3=C(CC(CC1)CN[S](C2=C(CC)C=CC=C2)(=O)=O)C=CC=C3,GZINCGNAKRRSBC-UHFFFAOYSA-N
-C535F6165EB5A382_C57AE79550BD4CCA_6006_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)C3(O)CCC3,CITAMSCNHWVPFE-UHFFFAOYSA-N
-C64DCB87174D2C62_D4F1C4FFC84D84AE_6041_DP,CCOC(=O)CC1=CC=C(C=C1)NC2=C(CO)C=CC=C2,NMXIHIVAWKJFMB-UHFFFAOYSA-N
-C69BA524030D5018_17C963A97C146DBA_6038_UN,CC3=CN1C(=NCC(C1)OC(C2=NOC(=C2)C[S](C)(=O)=O)=O)C=C3,MWOKBNLRKFRPMU-UHFFFAOYSA-N
-C7348EEF9381791B_C774DB5713A24005_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C2=NOC(=N2)CC3=CC=CC=C3,NVPSGMBKKDNVKV-UHFFFAOYSA-N
-C7800E8D0DD1DAC6_8D1B1CCBB929B574_6038_UN,CCCC(NC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)C3=NN=N[NH]3,YICOOHCJFWNRHR-UHFFFAOYSA-N
-CA1F4E137215B5E9_FDDECA25CC361684_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C)[NH]C=N2)=O)C=CC=C3,ROUPXYGYEGHLLZ-BXKDBHETSA-N
-D001AD76988272E0_40642A2CF84D58B9_6029_UN,ON(C1CCCC1)[S](C3=CC=C(C2CC(F)(F)C2)C=C3)(=O)=O,JNKQEQALDDAWOE-UHFFFAOYSA-N
-D29FFF9DD5FB19BC_63819911D64AEF6E_6029_UN,CC1(CC(C1)N[S](C2=CC=C(Cl)C=C2)(=O)=O)C3=CC=CC=C3,JPVNNLGBNPBXLK-UHFFFAOYSA-N
-D42546FD3C10C340_5D2E5F4CA74E5BE6_6029_UN,CC1(CCC(CC1)N[S](C2=CC=C(SCCO)C=C2)(=O)=O)C3=CC=CC=C3,XJNYPQUKEBDVQV-UHFFFAOYSA-N
-D53652BD7505D7C5_625D183993E6511E_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CCCCC4)(=O)=O,QVXVPZYRZXCKFW-UHFFFAOYSA-N
-D63686B4450A2AC5_35894250B65181AA_6029_UN,N(C1C=C(CCC1)C2=CC=C(C=C2)Cl)[S](C3=C(CSC)C=CC=C3)(=O)=O,MVYYGWGDTNOCIQ-UHFFFAOYSA-N
-D72E199B91FA074B_9ADAE83B90F71BC7_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CC=C(CN)S2)C=C3,FRKOVBFMNZRJKO-UHFFFAOYSA-N
-D768ECB2CC10D938_4DC3C780581C0EFA_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(=O)C4(CC4)C#C,RSCZZDTWQLVNGU-UHFFFAOYSA-N
-DB6D6DAF069AC0D6_FA0306A01161B761_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)N4CC(C3(C(F)(F)F)N=N3)CC4,OLRZNNLMDPXCLP-UHFFFAOYSA-N
-DBAFB25DE95A5C43_99C84E3DDA4B82DE_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C(OC)=O)C=C(C=C3)Br)(=O)=O,ZAHNHZBXQFVQIX-UHFFFAOYSA-N
-DCA6FC011057924D_E71C261B8E71BBA2_6029_UN,N(C1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,ODADEFSNCWOHHB-UHFFFAOYSA-N
-DD63662B1943FB37_4364ABDE70697922_7019_UN,CC1=C(C=CC=C1)CN2CCC(CC2)NC(=O)C=CC3=CC=C(CO)C=C3,CAFMQZPBCGZELF-UHFFFAOYSA-N
-DF222881664F32FB_AD5B50D91E22A512_6029_UN,CC1=CC=C(C=C1)C3CCC(N[S](C2=C(CSC)C=CC=C2)(=O)=O)CC3,PAXWPPQXANYZEL-UHFFFAOYSA-N
-DF620B102CA77C46_B78B5472D6369799_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC5=CC=C(CN4CCN(CC)CC4)C=C5,RUFGJDYFGKFHJP-UHFFFAOYSA-N
-E04E58D2BEDED8AA_29DB319676985E2D_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,GIUBCUPUDRACRS-UHFFFAOYSA-N
-E24795BA22F245FC_4E74AA0CC13AD4F7_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(F)CC3)C=C4)(=O)=O,PZNBZRNYEQTFTG-UHFFFAOYSA-N
-E29394436E0526F4_32FB95B258A18148_6003_UN,O(C1CCC=C1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,APACACPENZOPLV-UHFFFAOYSA-N
-E305E9C7C440EDB8_6EA24FFDE665FE1A_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC([C@H](OC)C2=CC=CC=C2)=O)C=CC=C3,MVOQJIOHGUVUSH-MZMPZRCHSA-N
-E39A4DCAE62DE97A_3FC797F82F549DE7_6038_UN,CC1=C(N=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N](=O)=O)[S](=O)(=O)Cl)N3CCCCC3,SYJLGBFRJLUMRK-UHFFFAOYSA-N
-E6A772E2807B0123_676C050B7C081710_6029_UN,ON(CC1=C(C=CC=C1)Cl)[S](C2=CC3=C(C=C2)OC(C)(C)CC3)(=O)=O,QMYGMSIDCLWSFP-UHFFFAOYSA-N
-E73A622E6106FF35_77F08F79522D7801_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=C(O)C=CC=C3,TYNPWACFIUNRMH-UHFFFAOYSA-N
-E76CBBAF888E6FFF_76B333FD4EA78894_2875_DP,ClC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C(N3CCNCC3)(C)C,JVOCGJFEGGRRSN-UHFFFAOYSA-N
-E7BF6F7D4F9630D0_5A62858318CCDE24_6041_UN,OC(=O)COC2=C1N=CC=CC1=C(C=C2)NCC(CC)=O,JTTRUWLCAYJOBS-UHFFFAOYSA-N
-E84CB3014BDC638D_197C78A7A60435BE_6034_UN,CN4CCC1=C(C3=C(N1CC2=C(N=C(C)S2)C)C=CC(=C3)Cl)C4,RZDFJQLCYRMQPK-UHFFFAOYSA-N
-EAB46D46BF5A2E90_1ABE8843DF6867D2_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)(F)F)C=C3)(=O)=O,SLXISQMLWQTVIV-UHFFFAOYSA-N
-EB6A861728E32896_95C49C24A3F18B60_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3,ZLYAXQRCHREWME-UHFFFAOYSA-N
-ED46A4C31FFE4F5A_4328B63162F19A2D_2875_DP,FC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C(N3CCNCC3)(C)C,AFPKDWQQFDQWQB-UHFFFAOYSA-N
-EF3A5DB4F56F7868_7D0C9ED84D0731DA_6029_UN,C=C1CN(C1)[S](C2=CN=C(OCCN(C)C)C=C2)(=O)=O,FPDVNOWHJNXXPP-UHFFFAOYSA-N
-F2762CA703EC4B32_881C42D35F2210F2_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C)C=C[NH]2)=O)C=CC=C3,PYHDUSZNRPZGFS-DGCLKSJQSA-N
-F2F257D5F0B82778_5EA79BAF39586744_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(N1CCCC1)[N]2C3=C(C=CC=C3)Cl)(=O)=O,PTONWUFIUNMMAP-UHFFFAOYSA-N
-F4DAB94A704DA6A6_618A840831CCD30C_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(C)[N]3C)(=O)=O,ALHCZCFRKOSQFX-UHFFFAOYSA-N
-F4DAB94A704DA6A6_CC794DFE64EE3EC4_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(C)[N]3C)(=O)=O,ALHCZCFRKOSQFX-UHFFFAOYSA-N
-F5C5B780AA3DFE07_E545C575F1EB9B54_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)(F)Br)C=C3)(=O)=O,YHIYLNUWPVTQCD-UHFFFAOYSA-N
-F5CF338C462B664B_306774E29F17B701_6006_UN,OC2=C1C(OCC1=C(C=C2)C3=C(C=CC(=C3)C)C4=CC=CC=C4)=O,QTUYHRYLUJYHKI-UHFFFAOYSA-N
-F74D620195EEA54E_78A5995847002ACD_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(CC3=CC=C(OC)C=C3)O4)(=O)=O,LEJLAJMQPWLZIZ-UHFFFAOYSA-N
-FB31B23E60386345_CD38A0D54362887D_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4=CC=CC(=C4)COC)=O,STRJVQWZILIHPG-UHFFFAOYSA-N
-FD15FDFEC56251D3_9AB2F5D02FC8C8BC_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=N[N]3CCCNCC3=C4,WHCOJRQHAUHPFA-UHFFFAOYSA-N
-FD3074FBBEBED3E5_8571277A18224247_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3(C[S](C)(=O)=O)CCOCC3,RIPSTZSIMOMENO-UHFFFAOYSA-N
-FD5ED8231AFAAB13_F1092486D809B920_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CCCO2)C3=CC=C(C=C3)F,XRRWDGYTEMAVIF-UHFFFAOYSA-N
-FDAAE4A5202C0DFC_570061146B9CF12F_6009_UN,C1(=CCOCC1)C2(CC(CC2(O)C3=CC=CC=C3)=O)C4=CC=CC=C4,LHZORZJDKCWHSO-UHFFFAOYSA-N
-FE753D0B4F4DB55F_AE41C3420B67F362_6038_UN,CSCC1CC(C1)NC(C=CC2=C(OC)C=CC=C2)=O,WOXQJTIGYQIKHB-UHFFFAOYSA-N
-rxn:1:63400:25055,CCc1cccc(N2CC(c3cn(CC4CC(=O)N(c5ccccc5C#C[Si](C)(C)C)C4)nn3)CC2=O)n1,RPNCMYKVEWEJDQ-UHFFFAOYSA-N
-rxn:2:121258:168895,CC(C1CCCC1)n1nc(C2CCCC2)cc1NC1COc2cc(-c3cccc(S(C)(=O)=O)c3)ccc21,RNGODZSFNVRWJV-UHFFFAOYSA-N
-rxn:2:159813:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)NCC2C(c3ccc4[nH]c(=O)[nH]c4c3)C2(F)F)c1,ACSITMUFDIROGQ-UHFFFAOYSA-N
-rxn:2:66420:170207,Cc1cccc(C)c1C(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ccc(CN2CCCC2)cc1,QWCOCTNWJLGMAF-UHFFFAOYSA-N
-rxn:2:67132:155627,CC(NCC1CCN(C2CCN(C3CC3)CC2)C1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,BMUBZASXFGUWQT-UHFFFAOYSA-N
-rxn:2:74047:152379,CC(NCC1CCN(C2CCCCC2)CC1)c1cccc(-c2cccc(S(C)(=O)=O)c2)n1,GJGRXKFEKXUVAY-UHFFFAOYSA-N
-rxn:2:77721:163743,CC1(c2c(C3CCC3)nn(C3CC3)c2NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)CC1,SOVQNQMRUJNLNC-UHFFFAOYSA-N
-rxn:2:85438:168895,CC(C1CCC1)n1nc(C2CCCCC2)cc1NC1COc2cc(-c3cccc(S(C)(=O)=O)c3)ccc21,KKDMOCUMRKZANQ-UHFFFAOYSA-N
-rxn:2:91997:155627,CC1CCCN(C2CCC(CNC(C)c3ncccc3-c3cccc(S(C)(=O)=O)c3)CC2)CC1,MSKRYRNXKIJSHY-UHFFFAOYSA-N
-rxn:2:96858:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc(N2CCC(F)(F)CC2)cc1,KHYKNIFICINCHB-UHFFFAOYSA-N
-002E01DC69A407E4_A2EF3A91FBD2BE1E_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C5=CC3=C(N=C(C)N=C3N4CCC4)S5)(=O)=O,TWHYKBJPFIFBMW-UHFFFAOYSA-N
-0049D3F402E073A8_02591DFF66153024_6038_UN,C[Si](C)(C)C#CCCOC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2,BRKIKTDNRUSHTL-UHFFFAOYSA-N
-009A5DA3C23D19D2_1877432A20D5CEFE_6026_UN,COC1=CC(=C(C(=C1)C)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl)C,WDMXVGWUQXWBQF-UHFFFAOYSA-N
-04F698CD6F485E96_59520A576868BEF5_6038_DP,N1CC(CNC(C[Si](C)(C)C)=O)(C1)C2=NC=C(C=C2)F,IMEVWXXNMMGIBT-UHFFFAOYSA-N
-07047C2E90F5B2C0_76AEE8CBBCFF44EE_6041_UN,C1(=CC=C(C=C1)C2=CN=CS2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,DMYRBOAJLULFRP-UHFFFAOYSA-N
-081936B3A0D5137B_B9FA58F809FC7B43_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3N[C@@H](C(N(OC)C)=O)C,SFRNZNVAXQZWLX-MRVPVSSYSA-N
-0A38AEB539A4DAD4_F158C28B0A157043_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2=C(C=CC=C2)Cl)[N]3C4CCCC4)(=O)=O,GFDGRNPRYUFSDK-UHFFFAOYSA-N
-0B780902193DF326_33997B155E9BA795_6038_UN,N(C2CCC1=NC(=C(Br)[N]1C2)Br)C(C(CCN(C)C)=C)=O,QDSOGLARUDTNPM-UHFFFAOYSA-N
-0BAA034DC6A309CF_C85108D93C3F2AE7_6029_UN,N(C1(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O,YLFSNLWXFZMHGO-UHFFFAOYSA-N
-0C6E38E8B190C4E7_BEB249A833BDB8EC_6006_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)C2=CC=C(C=C2)C3=C(C=CC=C3)F,QJOUCYLAPUPMBG-UHFFFAOYSA-N
-0E1FDF97633E73ED_AA24070C4E5A73CD_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCCC1=C(C)NNC1=O)C,QHOAJMQPJIVLHC-UHFFFAOYSA-N
-0E80657769565D71_84D6E347A2CB43A7_6038_UN,CN(C)CCCCCCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,BSEHZMRBYGYACA-UHFFFAOYSA-N
-0EB9DD83E9FEE44F_1255E5CA2F73563F_6041_UN,C1(=CC=C(C=C1)[S](=O)(=O)N=CC2CCCCC2)N[C@H]4C3=CC=CC(=C3OCC4)C,DPFGJBVPRUIGJI-JOCHJYFZSA-N
-0EEE40137CFC3DAB_20D11DE8BF60AC51_6038_DP,CCOC(=O)C(NC(C1C[Si](CN1)(C)C)=O)C2=C[N](N=C2)C,NDXQMFUWAAGRGL-UHFFFAOYSA-N
-10D77D7724EC7255_A8C3895A55362CD9_6038_UN,C[Si](C)(C)C#CCCCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,UGTCYIGIEZTMEM-UHFFFAOYSA-N
-129607123BA4E2B8_7E02B336932398EC_6041_UN,CCOC(=O)C1=NC3=C(C(=N1)N[C@@H]2C(OCC2)=O)C=CC=C3,YUBCYMBFNSCRJK-NSHDSACASA-N
-13D363981378DBB9_1CFC5EE09392672F_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C(N(CC)C)=O)C=CC(=C3)Br,UDNPXLFMZMHHQE-UHFFFAOYSA-N
-1508833A45909F00_588454C0963ABF57_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(C1=CC=NC=C1)[N]2C3CC3)(=O)=O,JWVGPGJIGVRUQS-UHFFFAOYSA-N
-1552FD3029F76362_E4A6EDDDCF13FE8B_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,SERYGZCBHVOECO-UHFFFAOYSA-N
-1570FC890279A0D7_F9BEA8F9E2E8D28C_6038_UN,C[Si](C)(C)C#CCCCOC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2,LFWMUISDMOVUKX-UHFFFAOYSA-N
-16A046BA0322F50E_522EF6A1EEA771ED_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N4CCN(C2=NC=NC3=C2C=C(Br)C=C3)CC4)N5CCOC5=O,WCMIFQNNABYWIB-UHFFFAOYSA-N
-16F30F8FEE985C18_EA34DA50ED51EED8_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)O[C@@H]3COC(=O)C3,CAWRRQWQTJZCMI-HNNXBMFYSA-N
-171CF1CF621FDE92_0476139D88C26F11_7019_UN,C(C1=CC=C(C=C1)[S](=O)(=O)Cl)=CC2=CC(=C(C=C2)C3CC3)C4CC4,YAPOZYQYLMGMPK-UHFFFAOYSA-N
-183614C6006AA473_3C88092DEF44B5D0_6031_UN,NC(CB(O)O)C(=O)OCC(CC1=C[N](C)N=C1)CN,PCPIEZOKAXYWMH-UHFFFAOYSA-N
-19228BFA54D248E0_844D025EA2FE6866_6003_UN,O(C(=CC#N)C1CCC1)C2=CC=C(C(F)(F)F)C=C2[S](=O)(=O)Cl,IVKCGXZHLFHYEO-UHFFFAOYSA-N
-1927246A8F133870_C0678DABBD95D564_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3(CCC3)CC4=CC=CC=C4,QCJQCTFCVCUWQH-UHFFFAOYSA-N
-19B4B1DC69F89935_F53F6C29F1A8D75C_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C2CCN(C(C(C)=C)=O)CC2)=O,QBMTXOVOEUFUTH-UHFFFAOYSA-N
-1C6BF86B23C66DC1_CD08EF0156008927_6029_DP,N1C[C@@H]([C@H]1CN[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,IELSNXOGAHRSNY-QZTJIDSGSA-N
-1C709239EA3B2EAE_6F8B2B6B9250B72E_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C3=CSC(=N3)N4CCOCC4)(=O)=O)C=C5,GYABNNQYPBCMAY-UHFFFAOYSA-N
-1EE40DC857815D8D_5AAD9DDD9B769A07_6029_DP,N1C[C@@H]([C@H]1CN[S](C3=CC=C(C(O)C2CCC2)C=C3)(=O)=O)C4=CC=CC=C4,QKDAKNCMCFLWMK-OSBQEZSISA-N
-1FAA0F275E39300B_9A6B5A78823D7384_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(C3=NC(=C(C(OCC)=O)C=C3)C)=O,PXGPEKCMSLCPFU-UHFFFAOYSA-N
-1FC53FAFD3187FE8_7D03EA789F436C2E_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C3=CC=C(C=C3)[S](=O)(=O)O,PHUFARXALNXRAG-UHFFFAOYSA-N
-20125E49CB05E392_27E8E84206BD1620_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(N(C)C)S3)(=O)=O,FALDDFRERIFQBY-UHFFFAOYSA-N
-20AE06B6C00D03D1_F371F465D1A36387_6041_UN,CC(C)SC1=CC=C(C=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,NBSSODLRUKXUOS-QXMXGUDHSA-N
-249452EC480D370D_CB5A3AD6F3AD908B_6029_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)[S](C5=C(O)C=C4OCCOC4=C5)(=O)=O,GBWFDECQLKPMKO-UHFFFAOYSA-N
-2596D67E04ECB901_20F2DED5A3BCCF61_6026_UN,ClC1=CC(=CC(=C1)Br)[S](=O)(=O)N(C2=C(I)C=CC=C2)C3CCC3,VTGZOJINSPTLPU-UHFFFAOYSA-N
-2746509434E45C35_934D84C95F6A46C7_6038_UN,CC1=C(C=CC(=C1)NC([C@@H](C)CC(=C)C)=O)N2CCCC2=O,XTGFOLRLSQYPPC-AWEZNQCLSA-N
-27F7C4D484004F17_0821993BDC929087_6038_UN,O(CCOC1=CC=C(C=C1)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,VQUDEVUBWLRFJF-UHFFFAOYSA-N
-284A130608BE4099_69B8CB419D205BA3_6029_UN,O=[N](=O)C1=CC2=C(C=C1)OCCN2[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,NRTAKMHWPLCWAK-UHFFFAOYSA-N
-28CD9473A5C0F305_83C95BE88107E23C_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C([N]2CC(C)C)C3=C(C=CC=C3)F)(=O)=O,OFYQIDSMTWSSAC-UHFFFAOYSA-N
-290D6942FEF77E7D_9D2D7BFC05BF6CFC_6038_UN,CCCN(CC)CCNC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,SXMVSRFHTUUNAR-UHFFFAOYSA-N
-2A847A5B023DB1E5_AE0340A4A4A3350C_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C(C3C(C2=N[NH]C(=N2)C)C3)=O,QXGGVCNCHKCKHW-UHFFFAOYSA-N
-2D11602638965937_7AE40F997E587608_6041_UN,OCC(O)C1=NC(=CC=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,VIHKADOLVXUGBP-MLCCFXAWSA-N
-2F3D4A3975706586_46E4B6B9723B2754_6041_DP,N1CC(C1)(C#N)C2=NC=C(C=C2)NC3=C(C=C(C(C)C)C=C3)F,JRZFDQGUZSTQLN-UHFFFAOYSA-N
-301C23ADBA71472E_42B4DB2FA5D9ECF3_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CC(C)CCC=C(C)C)=O,NFXLXDYTHTZDGT-UHFFFAOYSA-N
-346F7367EB08AE0C_3FBD54411F0749B6_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC(C4=CC=C([S](C)(=O)=O)C=C4)N,XYQQHOYDMYBPDZ-UHFFFAOYSA-N
-37D54A82A61C7202_F6307824B558750E_6038_UN,ONC(=O)C1=C(C=CC=C1)OC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,HSYLOVRTPWXMCI-UHFFFAOYSA-N
-39E5321F245345FE_BE1B442A86218C5C_6041_DP,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](CO)C(=O)O,WBDJDINXOFKQQP-SNVBAGLBSA-N
-3AADB311C1DB545E_5A68BA6DCEEDB7FE_6038_UN,COC(=O)[C@@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)CC(C)C,PRJGKBQANRWZGX-VIFPVBQESA-N
-3ABB285378D1B492_7F68FA98E540A1F9_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C)C=CC(=C2Br)F)=O,WOUKIBWUWNIMFS-UHFFFAOYSA-N
-3DE294777A529909_389884281020603E_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=C(N=CN=C2)OC3=CC4=C(C=C3)OCO4)(=O)=O,NCVBKTLWAPLRFN-UHFFFAOYSA-N
-404D3050310EC889_54C281F8EB330981_6031_UN,O(C(=O)C[N]1C=NC(=N1)[N](=O)=O)CC2(CC(N(C)C)=O)CC2,UCFWHUWOKJYHIE-UHFFFAOYSA-N
-42AF32DEC0F5E2B5_04323233C37507E9_6029_UN,N(C1CC(C1)(O)C2(CCC2)O)[S](C3=C(CCC)C=CC=C3)(=O)=O,BVCGOPCYELCNLN-UHFFFAOYSA-N
-4386C0AA912AA073_A0031B1A365FE0BC_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](=O)(=O)C3=C(C=CC=C3)O,YTTCETWWYZNQGZ-UHFFFAOYSA-N
-45EB607854E747D3_FE9EC5C13CA23E5E_6038_DP,N(C1=C(C=CC(=C1)F)C2=NNC(=O)N2)C(C(OC)C3CNC3)=O,BFYGZACSYNSMJC-UHFFFAOYSA-N
-460A359911415AFB_9FCFFA3E4FC13523_6038_DP,N(C1=CC=C(C=C1)[N]2C=C(C#N)C=N2)C([C@H]3CSCN3)=O,YEQWNQWYEDZVHL-CYBMUJFWSA-N
-474AC1B6B93268E1_FE8E9AF8F161EF10_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCN(CC2)[S](=O)(=O)C3=CC4=C(C=C3)OCCCO4,YMXZUUHEIGUANN-UHFFFAOYSA-N
-487256E71EF864FE_B549FB10A91C9895_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC3(C)CN(C3)C4=CC=C(C=C4)F,QFFAQRDWXBIUEL-UHFFFAOYSA-N
-49690753068324B3_0D248BE534E6A93A_6038_UN,CC1=C(C1COC(C2=NC(=NC3=C2C=C[NH]3)C)=O)[Si](C)(C)C,OSODTMVCPWOAOT-UHFFFAOYSA-N
-4ACAC9115374F6FD_B3F6F58134632062_6038_UN,N(C1=CC=C(C=C1)N2CCOC2=O)C(C3=NC=C(C(OC)=O)C=C3)=O,DBJJYWBLENYXSB-UHFFFAOYSA-N
-4B6567857ABFDB36_3CA32FB360D2E471_6026_UN,CC1=C(C=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CCCCC3)C4CC4,WVHYSQHWYWLHSW-UHFFFAOYSA-N
-4D4F76F991FFDF15_4A2B90366331312A_2875_DP,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)CCC3(CNC3)O)Cl,DUAFROGAYBYWEY-UHFFFAOYSA-N
-4D7FE0E1690DE4A8_47B308182390F990_2201_UN,CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CSC4,WPSZSTKVSAEKLT-UHFFFAOYSA-N
-4DE278981685293F_8FA793A60A2C829C_6038_UN,N[S](=O)(=O)C1=CC(=C(C=C1)OC(C2=C(C)OCC2)=O)F,MLVKWICLRQUYNU-UHFFFAOYSA-N
-51FF0C38727F7374_AF3855B239527594_6038_UN,CCOC(=O)C(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)C2CC2,SDFXRBADTJFCPR-UHFFFAOYSA-N
-5C7F5AE8155BDE82_E1FA91947F03DFB1_6029_UN,N(C1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,QZOYPAHIKSMCSM-UHFFFAOYSA-N
-5C8C5F2B50A3F677_77657B3B98582241_6041_UN,COC(=O)C4=CC1=C(N=CN=C1NC3=C(C(N2CCN(C)CC2)=O)C=CC=C3)[N]4C,BYJISRYAGKAABC-UHFFFAOYSA-N
-5D80C85FD9AB4A6C_8112CFB5A62C8D72_2201_UN,CC1=CC(=CC(=C1)C)C4CCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,CDTULCMLBJNGCU-UHFFFAOYSA-N
-6065D90012F1933A_CE94B3E1225DF8DE_6038_UN,COC1=CC(=CC(=C1)OC)N2CCC(NC(C[Si](C)(C)C)=O)C2=O,NRGKERGGYQRBNM-UHFFFAOYSA-N
-60E5481CA897FA88_B6349DB0BA1C3728_6038_UN,CC[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,HDLTVVSCTTZRKP-LURJTMIESA-N
-6102927569C98124_4DACB42F64025D42_6038_UN,CC1(C)CCC(=C1NC(C(C(C)C)C2=N[NH]C=N2)=O)C#N,VSXMBQWFZKJDCV-UHFFFAOYSA-N
-620AAD4DC0715743_214A830BA432B6C0_6029_UN,N(C(CC1CC1)C#C)[S](C2=CC=CC(=C2)C(C)S)(=O)=O,FZUATPPYROTXAI-UHFFFAOYSA-N
-633A5FB8C4C3202C_9090EF7C9775EDFB_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)C,FWVRAOIIURVAAG-UHFFFAOYSA-N
-6365C10871C40AA9_FCCB45B921D08DEA_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(CC)C#N)C=C3)(=O)=O,WJXOKTDRGUOOPN-UHFFFAOYSA-N
-641766649C7ED559_03EFF199B0107A2E_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O)C4=CC=CC=C4,BXVLHWNIOFIHDG-FGZHOGPDSA-N
-6419009BE9BCF286_2F6F05337CB13269_6029_UN,CC[N]3C=C(CCN[S](C1=CC=C(C=C1)C2=CCCCC2)(=O)=O)C=N3,LHTHCWBHQULKAS-UHFFFAOYSA-N
-66431D2AD282F6BA_354D13789593379F_6003_UN,O(C1=CC=C(C=C1)O[S](=O)(=O)O)C2=CC=C(C(=C2)F)C(=O)NC3CC3,VYPSFHALIRIVBQ-UHFFFAOYSA-N
-68E3E32D884887B8_E84C33804A0300EA_6038_UN,CC[N]1C3=C(N=C1C(C)NC(=O)C2(CC(=O)C2)C#N)C=CC=C3,ASBDTBIHIIKFBV-UHFFFAOYSA-N
-6C778653808456A0_E8AAD2CFEFDD1FBF_6038_DP,CC(C)C(CNC(C1C[Si](CN1)(C)C)=O)C2=CC=N[N]2C,VHDAKZHUQBOENA-UHFFFAOYSA-N
-6D62232866D2648C_F1604C296E6BA235_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC3=CN=C([Si](C)(C)C)C=C3,CYBHAAKJIPGHJR-UHFFFAOYSA-N
-6EC9BDBD00D80C57_5A42EF6226C2AF2D_6035_UN,O(CCN1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C[N](=CC=C3)=O,BNZBNKITCKKIQV-UHFFFAOYSA-N
-6ECBB05D41B6BE2A_85B77A9014C2F267_6029_DP,N(CC2(CC1=CC=CC=C1)CCCC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,NETUMROGZQBITN-UHFFFAOYSA-N
-6F9DFDC53197C825_88D3AE059E41E0F2_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C3=C(N)C=C(C=C3)[S](=O)(=O)O,RQQWXRHUFJBDEO-UHFFFAOYSA-N
-704CF2448230A5B1_576E86DFA1335418_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CC(C(CC)(C)C)C)=O,CAWMNURSPXXRNX-UHFFFAOYSA-N
-732D24EA6E3A8860_C704E46638209B61_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2N[C@@H](C(C)C)C(=O)N(C)C,QZPIZBWYVIVMFI-HNNXBMFYSA-N
-73FFA3A1D39102E5_3AD32DD43A5F2EB9_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C(F)C=N2)C#N)(=O)=O,MLPPZUNHROTHNS-UHFFFAOYSA-N
-757A6E9DA1201385_F8C2FB6F02301995_6029_DP,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,OQSZPWMMAUKDDM-UHFFFAOYSA-N
-763D3788FCE903E8_049140C1CA3A4AF4_7019_UN,OC3(CC1CC(=NO1)C=CC(=CC2=C(COC)C=CC=C2)C)COC3,WZZRXJMSTJAGFI-UHFFFAOYSA-N
-76B4246D34BD9595_BEC03A504FFEE885_6029_UN,N(C1(CCOCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4=CCCCC4)(=O)=O,BGVWHFKEBZYSSD-UHFFFAOYSA-N
-77F71EA5685821C8_1AE407E0AD517FD7_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(C2CC2)[N]3C4=CC=CC=C4)(=O)=O,VBUOYTHSPPGYTQ-UHFFFAOYSA-N
-78E39F382B0363D1_87087AF17C96966D_6041_UN,C1(=CC=C(C=C1)[S](=O)(=O)N=CC2CCCCC2)N[C@@H]4C3=CC=CC(=C3OCC4)C,DPFGJBVPRUIGJI-QFIPXVFZSA-N
-7AFA109DF36352F6_9B4AD22A3272B83F_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC3(CCC3)C#C,CBVFLJWRUSTTLD-UHFFFAOYSA-N
-7D57C00C95499C02_B77350D8052F2E9E_7009_UN,N([S](=O)(=O)C1=CC(=CC=C1)I)C(=O)[C@@H]2CC(=O)NC(=O)N2,OBWUFEPUUPAVKM-QMMMGPOBSA-N
-7D9E1F89D5E65976_AF9646980D2EF262_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,SAJUZINVMOGFLD-ROUUACIJSA-N
-81592A916CB1C139_22D9A81E1BC2656E_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=CC=C(CC(C)(C)O)C=C3)(=O)=O,BZQOQDDMBLKXKU-UHFFFAOYSA-N
-8295E65283FDF5F0_F9D96273C353FBED_6029_UN,N(CC1(CC1)O)[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O,OOFBUNDTLDWTNZ-UHFFFAOYSA-N
-82B37F4C7D684FB8_7FFDCEB21DF06534_6029_UN,OC(=O)C#CC1CN(C1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O,ZTAUQFQIMPTHCV-UHFFFAOYSA-N
-83BB532441958426_F4818F3DD59F1007_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)NCC(=O)NO,GEIMMWSAOMFXQQ-UHFFFAOYSA-N
-83E3F545C310E085_85BB64CB402AA7C5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC3CC(C3)C#C,NGAYSLYVBOMAMK-UHFFFAOYSA-N
-8649D7FAD51590FC_BDA44393B1BF2314_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,DUBZOLHJNDHPQA-UHFFFAOYSA-N
-877CBD977CC8446E_074CA10BB03CF89F_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=C(C=C(C)C=C3)C,GJGMZSRYCVBECT-UHFFFAOYSA-N
-887821F77ADE2DB8_532BBEE3756DD5EA_6031_UN,C[P](=O)(O)CCC(N)C(=O)OCC1(CC)C(=O)NC(=O)NC1=O,DIOVMAKXNQFFGQ-UHFFFAOYSA-N
-8CFA56444CE24150_83A8C4E2963643EB_6029_DP,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,OXXQDDZUXHHBCB-JCNLHEQBSA-N
-8D65E59F09B29F42_2EFC0E661B0249A4_6035_UN,O(C1(CC1)C2=CC=CC=C2)C3=C(C(=C(C(=C3)F)F)F)[S](=O)(=O)Cl,LSLZCCDDJAKARA-UHFFFAOYSA-N
-8EC69613D5E9ED8E_ADE236C14958BE83_6038_DP,N3C[C@@H](NC(CC(CC)(C)CC2=NC1=C(C=CC=C1)S2)=O)[C@@H](F)C3,RENNZHDRFJBQKX-CKZVMRIZSA-N
-90DB567C840246CD_8CD30A486C626EC0_7019_UN,C(C2=NC1=C(C=CC=C1)S2)=C[C@@H]3CCO[C@H]3C4=NC=C[N]4C,QEWLMCZGSOJNKK-MLGOLLRUSA-N
-922A2938E297A389_9335891BFABC954A_6029_UN,N([C@H]1[C@@H](C1)C2=CSC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,STRNKSOBOBMIFK-LSDHHAIUSA-N
-958F272D3BCDAE9C_B9C05DF0F8D07014_6029_DP,N(C(C1CC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,PGGYZVIQPUWBKJ-UHFFFAOYSA-N
-97141279B3B42CA6_BA4A026A3AD43563_6041_UN,C1(=NC(=N[NH]1)C2CC2)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,LPGHHBMYLUQYOD-UHFFFAOYSA-N
-97464876339ECD52_085CDD94C9E58841_6038_UN,CC(C)C1CCC(CC1)C(OC(=O)C2=C(C3=C(C=C2)OCCCO3)[N](=O)=O)C4=CC=N[N]4C,LWPUUWKHCKIPLW-UHFFFAOYSA-N
-984BD14357B1BCF5_25A30B0A52FEDA33_6038_DP,CCC1=CC=C(O1)C(NC(C2C[Si](CN2)(C)C)=O)C(C)(C)C,UFJLURNDVBZPSW-UHFFFAOYSA-N
-9864263AFA95D80B_BAB7D009993EF48F_6029_UN,O=[N](=O)C2=C1N(CCC1=C(C=C2)F)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,HPDSVWXOTOGNMH-UHFFFAOYSA-N
-99EBDEF6554C2A07_86BA9A4A3E4CB209_6029_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,HHMRKRAKLHXRMT-UHFFFAOYSA-N
-9ABC2B6E95B4EE4B_A0527D1529719215_6038_UN,N(CC1CCN(CC1)C2=NC=CC=N2)C(C4=C(N3C(C=C(C)C3=O)=O)C=CC=C4)=O,KSJWRZARAQWCEA-UHFFFAOYSA-N
-9B523E8D58DF4D93_10FC18D23B22DDF8_6029_UN,N(C(C1=CC=CC=C1)C2(O)CCC2)[S](C3=CC=C(C=C3)CC4CC4)(=O)=O,DWRUABROIGOKAB-UHFFFAOYSA-N
-9D9C16E3CF7F13C1_6FB6DFAA21F1DCBE_6029_DP,O=[S]1(=O)N(CCOC2=C1C=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,UMDYJVHCXFDDGT-UHFFFAOYSA-N
-9E5C761A69B1745F_66FBEEAE6D85C8CD_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CN=C(N5CCN(C)CCC5)C=C6)(=O)=O,VWGOCEDJIFHALD-UHFFFAOYSA-N
-A132201129A79877_E4F324DCFB602639_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl)N4CCOC4=O,JNCRMXFMMFNBBN-UHFFFAOYSA-N
-A33B1A002B621BCC_3C656BC4A883E08D_6029_UN,N([C@H](C1CCC1)C2=CN=CC=C2)[S](C3=CC=CC(=C3)[C@@H](C)O)(=O)=O,NHWNGIMGWCBUQE-FZKQIMNGSA-N
-A4153625E63B3DFA_FCE375D1778E69E0_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C(CO)C=C3OCOC3=C4)(=O)=O)C,SYVMPPLDKAUNCD-UHFFFAOYSA-N
-A51E628052ECFD72_5BCA1CC5880B9193_7019_UN,C(C(=C)[S](=O)(=O)Cl)=CC1=C(CCCC1)SC2=CC=CC=C2,WRQQAQKVRMZYPF-UHFFFAOYSA-N
-A6ADC0E5AA00CE6B_F4167A8A6C41FE4A_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C3CCCCC3)C4=CC=CC=C4,ASVTWVZQHQBDJK-UHFFFAOYSA-N
-A9A0B43889545036_1FF23083F5F80E8A_7019_UN,C(C(=O)NNC(=O)CC1=CC=CC=C1)=CC[C@@H]([C@@H](CO)O)O,BDMQWVUGGSKOPL-QWHCGFSZSA-N
-ACBF22C82DEC8DA0_801AD8D89845845B_6029_UN,N(C1(CCC1)CC#C)[S](C2=CC=CC(=C2)C(C)S)(=O)=O,QRTLMTIONWTRDT-UHFFFAOYSA-N
-AD91022F2DCA1766_5DBEFD6541D7D46E_6038_UN,CC(C)CC(NC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)C#N,WUHZDAVSNGBMBH-XVBQNVSMSA-N
-AE3E538504037747_B2049A93A4BFEDB4_6041_UN,CCOC(=O)C1=N[NH]C(=N1)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,KNYXGJIGLKYLQD-UHFFFAOYSA-N
-AED07491DF4CE4B9_0F87B7EC764C1DE3_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(CC(C)(C)C)C=C3)(=O)=O,SUYUGGMCHVXSRC-UHFFFAOYSA-N
-B08E03526A93D4DF_E8BAA10B0A7D00D1_6029_DP,N(C1(CCC1)CC2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,CNDCRISJVFPLSN-UHFFFAOYSA-N
-B0DBAFEB5C146F73_FB8852E1CEB70693_6026_UN,CC1=C(C=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3(CC3)C4CCCCC4,CHMUVWPVLBYFKI-UHFFFAOYSA-N
-B195BCA4D90B8CA3_F5EF70B474202B40_6038_UN,CC1=C(C=C(C(=C1)OC(=O)C3=CN2C(=NCC2)C=C3)[N](=O)=O)[S](=O)(=O)Cl,SNHKVSSJVDXICL-UHFFFAOYSA-N
-B242CDF3DC22F852_D6DA418D1FA74C3A_6041_UN,CN(CC1=NC=C[N]1C)C2=NC3=C(C(=N2)N[C@H](CC)C(=O)N(C)C)C=CC=C3,LHVPQYGWICDMQZ-OAHLLOKOSA-N
-B28E0F5BB4AFE4FF_21BC82C2AA8B790C_6029_DP,N([C@H]1[C@H](CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,LQOUUFLCKSMXPI-RTBURBONSA-N
-B2B21AE62121DEF3_E21D5B6A7253ABA1_6003_UN,CC(OC1=CC=C([S](C(C)(C)C#N)(=O)=O)C=C1)(C2CC2)C3CC3,WHZCMTJVXNBPON-UHFFFAOYSA-N
-B313AC8E02B91D04_F8EB0C90DA26084C_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,MSSBGFHUSAOLTM-CJNGLKHVSA-N
-B670822FF70BB7B6_DB41EC0710C62027_6038_UN,CC(C)C(=O)C1=C(C=CN=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,FQJUBEDBXAZOLW-UHFFFAOYSA-N
-B7265B3638128DE3_A17C692C42F9F298_6029_UN,N(C1(CCOCC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,PEXMVDPKHLTZKY-UHFFFAOYSA-N
-B77DF873D9D47C5A_04484E52C3433748_6038_UN,O([C@@H]1COC(=O)C1)C([C@H]2C(C)(C)[C@@H]2C3=CC=CC=C3)=O,IEAJYZAAXJGKCR-YUTCNCBUSA-N
-B816BEFA7D59470F_780829EC219F5FA7_6041_DP,N1CCCN(CC1)C2=NC(=CN=C2)NC3=CC=C(C=C3)O[S](=O)(=O)F,OZWOEUHXEXXXHQ-UHFFFAOYSA-N
-B856216DB2ADAD42_3BB23D285164E1FF_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C[N](COCC[Si](C)(C)C)C(=N3)Cl)(=O)=O,UAIQJTOHKWZLGM-UHFFFAOYSA-N
-B87EA77017425637_44DA1D89A0371B63_6038_UN,N(CC1=CN=C(C=C1)N2CCN(CC2)C3=NC=CC=C3)C(C4(C(CC)=O)CC4)=O,SNYSJCILFMLYFA-UHFFFAOYSA-N
-B98693DE035AAE80_4A87972CE2CCB242_6031_UN,CCCCN(C)C1=NC(=C(C=N1)Cl)C(=O)OCC3C(C2=CC=C(OC)C=C2)N(C(C3)=O)C,LJUVIQRNKCZKSO-UHFFFAOYSA-N
-BA5B6FE7583766D6_E9295052515FD711_6029_DP,O=[N](=O)C1=CC2=C(C=C1)CN(CCO2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,UDNCDSVZUCETJY-UHFFFAOYSA-N
-BC9CE888B7CC0CD8_2E432E9F52DBF77D_6041_UN,C2(=C1C=NC=NC1=CC=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,HCPAQTFNNYNEBP-GWCFXTLKSA-N
-BDD9D1F6A7EFCDA4_40E5047ED2D5D5CD_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)N[C@H](C(N(CC)C)=O)C(C)C,MQQRZCZBQXYJRG-AWEZNQCLSA-N
-BECA882D5174D8DA_E10D9C9D811C9220_6041_DP,CC(C)(C#N)C1=C(C=C(C=C1)NCC2NCCN(C)C2)F,ZSJKUCLKCYYUAF-UHFFFAOYSA-N
-C204A5EC3E5DC758_4BF10D8A8695F9BE_6038_DP,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4ON=C(C3CNC3)C4)=O,WKNUULLBAPTOOI-IURRXHLWSA-N
-C301B1C281F72207_494B0FABE66A7649_2875_UN,N2=N[N](C1CCCC=C1)C=C2C(C3=CC=C(C(C)(C)C)C=C3)=O,IIEVXVAEYTYZQF-UHFFFAOYSA-N
-C3F8050611520496_48FE623CB19E8FB0_7005_UN,N2=C(C1(C)COC(=O)OC1)[NH]C3=CC(=CC=C23)C5=NC4=C(C=CC=C4)S5,TZCDNAVNWVAXNC-UHFFFAOYSA-N
-C409DDE8DF42493F_07563DC72039BAD2_6029_UN,N(C1CC(C1)(O)C2(CCC2)O)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,ZYQGJWGBKKVJOT-UHFFFAOYSA-N
-C64301B500DDF580_F1E075558F3603EB_6041_DP,CCOC(=O)C(=CC1=CC=C(O1)NC2(C(OC)=O)CNC2)C,YZKMAXSIRBWMHO-UHFFFAOYSA-N
-C85596152BAAFA60_26A3E8207AD3A502_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2C3CCCC(C)C3)C)(=O)=O,ANIYBTGBLVGTQT-UHFFFAOYSA-N
-CC3A5C792343568A_47CB8F33E02B63D2_6029_DP,N1CC(C1)C(N[S](C2=CC(=CC=C2)C3(CC3)C#N)(=O)=O)C4=CC=C(C=C4)F,HXYGBXGLMIRLTG-UHFFFAOYSA-N
-CC574C6BA54BFA38_B39380005B0D5C9B_6038_UN,NC(=O)C1=C(C=N[NH]1)NC(C2(C(OC)=O)CCC2=C)=O,WSJYVWMCHZZFHO-UHFFFAOYSA-N
-CF296D1834A8CAF1_EAC5703F0347DC98_6038_UN,CC1=N[N]2C(=C1)C(=NC=C2)N3CC(C3)NC(=O)CSC4=[N](C=CC=C4)=O,YRPLVEUEUQZCGY-UHFFFAOYSA-N
-D007273911F575E1_8995236B89AED684_6029_UN,N(C1(CCCCC1)C(O)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C=CI)(=O)=O,DVDACKXZLACFBS-UHFFFAOYSA-N
-D0367934AAFEFD9C_298E76214A0AFFF2_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=CC(=C2)SC)Br)C=C3,FTOAPAZAJBZGBQ-UHFFFAOYSA-N
-D13C7C8802B58C19_51AEDDF1AFA5A354_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LIURREJUHWMNRB-UHFFFAOYSA-N
-D3CABA8202CC90CB_065B41F681C6787C_6034_UN,CC1=C(N=CN1CC2CNCCN(C)C2)C3=CC=C(C=C3)Cl,JISISMXSYYTNCB-UHFFFAOYSA-N
-D45B077CD6AC0FFD_4DC9AA59F9B5068D_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(C(CCC)C)=O,FKDJDSGPKAYRCR-UHFFFAOYSA-N
-D4EBFFB4980F9826_17305E981DA12A9D_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(CC3=CC=C(C(C)=O)C=C3)=O,UBIMXNOBENTOQZ-UHFFFAOYSA-N
-D55E4A37C81C8DA2_1970B8155A7AA37A_6038_UN,CC(NC(=O)C1=CN=C(N=C1)N2CCOCC2)C(=O)CC3=CC=CC=C3,KUBLCKFAZXZESD-UHFFFAOYSA-N
-D8B126D37199D285_FA281A2C01749998_6028_UN,C[Si]1(CN(CCC1)[S](C2=NC=C([N]2CC)C3=CC4=C(C=C3)OCCO4)(=O)=O)C,BGHBUWZXZQTNFG-UHFFFAOYSA-N
-D99CC298DB4976F8_618BA204246076B9_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)Cl)[S](=O)(=O)Cl)Cl,ZLXVJWLBRPNWIQ-UHFFFAOYSA-N
-DA9A78DC72ECC8B7_DDA48149E694D0D3_6038_UN,N(C1=C(C=CN=C1)B(O)O)C(C2(C(N(C(C)C)C)=O)CC2)=O,SPFXYWDWTMJZAR-UHFFFAOYSA-N
-DAA0EDD078B323E3_032FE6F46032FF14_6036_UN,C([CH]=[C]1C[CH2]C1)N([S](C2=CC(=C(C=C2)Cl)N)(=O)=O)C3=CC=C(C=C3)I,ZLBPUEHYSMPOHZ-UHFFFAOYSA-N
-DAC807AFE6A5B5D5_67ACDD35734363A8_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=NC=NC4=C3N=C[N]4C)=O,RYXIKPLGWVCVBB-CYBMUJFWSA-N
-DB03DF3867564776_D29584EE7E0C0BBA_6038_UN,CC(NC(C#CC1(CC)COC1)=O)CC2=C[N](N=C2)C,FLTLOHQUWLTMFE-UHFFFAOYSA-N
-DB60A4B7D54C1DFF_9BDA9FA5A0B40600_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C(CC)=O)C=CC(=C3)C(F)(F)F,BHNZFHBJZHLDCH-UHFFFAOYSA-N
-DC42225BA167E123_5F05C39B8AE1C198_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,JBBXNBBPIRWLRS-UHFFFAOYSA-N
-DC780C2A63CAAA58_CCC52E86098CC082_6029_DP,N([C@H]1C[C@H](CC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,NFKQZDLBXNUZCL-FUHWJXTLSA-N
-DDA237AF3E7EC7F1_47BBE2D79ACFA0C1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC3CCC(CC3)C#C,JXZCFPUMEROIAV-UHFFFAOYSA-N
-DFFCFFC079972004_2EDBDDFA880273D1_6029_DP,N1CCC(CC1)C(CN[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O)C4=CC=CC=C4,QAJPIKJFLBPWMJ-UHFFFAOYSA-N
-E12212C20760F0CE_526C9869E31A6ADA_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C(CC)ON=C3)=O,WDDDAIXPFHLFRS-UHFFFAOYSA-N
-E2494A3EAE65B76D_FF80901E63159AC5_6029_DP,N1CCC(CC1)C(CN[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=CC=CC=C4,IUNQDYBHARTGTK-UHFFFAOYSA-N
-E313CE8B38FB3F96_93D09E869E7B5AAF_6029_DP,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C(C4CCNCC4)O)(=O)=O,UGSLRHJUHMKCKG-JQLAIFRYSA-N
-E5CBF90F3D99621F_DD1B6BE4A1400240_6038_UN,CN3C(=O)C(=C(NC(C1=NOC(=C1C[N]2C=C(C=N2)[N](=O)=O)C)=O)C34CCCC4)C(=O)N,CJHAPISQFIFHHH-UHFFFAOYSA-N
-E71F6F746F031A2E_B415AFC7A33C32FE_6038_UN,NC(=O)N1CCC(=CC1)C2=CC=C(C=C2)OC(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,UKSILGQMVWWWPS-UHFFFAOYSA-N
-E82F65E8B0CABCD7_2E3E13BB3EAA99E3_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,OELMLAMKILVLOE-UHFFFAOYSA-N
-E9570F70D3B9D47C_0288D89C8F7DC06A_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,HUXFOPHBOVHFRN-UHFFFAOYSA-N
-E9570F70D3B9D47C_D3B4D41944F60A12_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,HUXFOPHBOVHFRN-UHFFFAOYSA-N
-EA028691A4FB586B_FC1943B66BBC3195_2267_UN,C(#CCC1(CCCCC1)C#N)C2=CC=C([S](F)(=O)=O)S2,TVNYKMFZJGBJSG-UHFFFAOYSA-N
-EA04B264AA7F051C_1826776C0FFD5C62_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C(C(OC)=O)C=C3OCOC3=C4,BNFUMWHCKKHPQS-UHFFFAOYSA-N
-EBA89DBE3AFF651A_790FC8993C87097F_6029_UN,O=[N](=O)C1=C[N](N=C1C2=CC=NC=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LIBIBQRRYGOFFH-UHFFFAOYSA-N
-EBF114B493AAD2A1_F20B1421D41DAF7B_6038_UN,O(C1=CC=CC=CC1=O)C(C2=C(C)C=CC(=C2F)Br)=O,RMFLDNKLAJJMIP-UHFFFAOYSA-N
-EC06908F5D24BC5B_220C73F386885B55_7019_UN,C(CN1C(=O)CNC1=O)=CC(CC2=CC(=C(OC)C=C2)C(C)(C)C)C,FALSWPJMVCPUEE-UHFFFAOYSA-N
-F180FF712027D57E_DB1F0175C93D09B1_6029_UN,N(C1=C(C=C(C=C1I)I)[N](=O)=O)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,AZFSIGJCSDWIHQ-UHFFFAOYSA-N
-F1E922360FAB9D86_6C8168788A349A3A_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)C(C3=C(C(C)C)N=C(C=C3)C)=O,KQZFMMNEBMITSR-UHFFFAOYSA-N
-F2685C3E6CF6EDF5_7A8E4F7D5A7A2B5C_6029_DP,N1CCC(CC1)C(CN[S](C2=C(CSC)C=CC=C2)(=O)=O)C3=CC=CC=C3,NQVCUZHVSNEDAZ-UHFFFAOYSA-N
-F2F5D4F071351C8A_3919787061FCBD20_6029_UN,N(C(C(CO)C1CC1)C2CC2)[S](C3=CC(=CC=C3)C4CC4)(=O)=O,BYJLTXZFZVKTQI-UHFFFAOYSA-N
-F438B86503855F81_230628B557059051_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C(C3=N[N](C)C=C3)(C)C)=O,GADQWDIQRDHLNP-CQSZACIVSA-N
-F4B111CBEA58C403_5FA61498DE81E8E0_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CC(=C(C)C)C)=O,JLEKGNCHPWVCLZ-UHFFFAOYSA-N
-F51F4E7C6B59F995_045ADB67145BBDF0_6029_DP,N(C(CC1CCC1)C2=CC=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,KTFOHKADUBZMSI-UHFFFAOYSA-N
-F61232B8CCC82627_365DCEA91DF1B72C_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(C2=C(C)C=CC=C2)C3CC3,YQDQDCNQDJNKAH-OYKVQYDMSA-N
-F61232B8CCC82627_AF35DA1A228CB1A0_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(C2=C(C)C=CC=C2)C3CC3,YQDQDCNQDJNKAH-OYKVQYDMSA-N
-F8942F601FF16917_78DF73A13B891E3C_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C(C(C)=O)C=C3OCOC3=C4,CTHPYDPAXPGTQZ-UHFFFAOYSA-N
-F8BCEC952510E676_C7CA31C58A31C1A1_6041_UN,C1(=CC=C(C=C1)[S](=O)(=O)N=CC2CCCCC2)N[C@H]3CCOC4=C3C=C(C)C=C4C,RZVGUYHTXZGDQN-QHCPKHFHSA-N
-F8E4B56FDD82B1AB_5748A2D4612CBD02_6038_UN,CC1=NC4=C(C(=C1)NC(C2=N[N](CC)C(=C2)C3CC3)=O)C=CC=C4,RPJHMCCBQMKWNA-UHFFFAOYSA-N
-FB31913DF7BFA02A_67407908234C1E4D_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC3=C2OCCOC2=CC=C3,BSEUCXLOOPJING-UHFFFAOYSA-N
-FBE8D54B9072869D_6EAEC07B2DF2882D_6029_UN,N(C(C=C)C1CC1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O,SFFFSCHZTBJKME-UHFFFAOYSA-N
-FF7E15DAA5F06484_FCAB70BE9C5F3F79_6031_UN,CCOC1=NN=C(C=C1)[N]2N=CC(=C2C)C(=O)OCC4=C(C=C3COB(C3=C4)O)F,SRHRCSOYQCVZKX-UHFFFAOYSA-N
-rxn:1:43755:4040,CC(=O)NCC#Cc1cccc(-n2cc(COC(=O)N3CCN(C(C)=O)CC3)nn2)c1,DDPWTWRMPPLYHT-UHFFFAOYSA-N
-rxn:1:49622:25100,Cc1c(C2C(Cn3cc(C4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)C2(F)F)cnn1C,JGYSDYQKELDBCC-UHFFFAOYSA-N
-rxn:1:50791:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5cn(C)c(C(=O)OC)n5)C4(F)F)nn3)c2)COC1,MISLDBIUAVAZDU-UHFFFAOYSA-N
-rxn:1:51539:24721,CC(=O)NCC1C(c2ccccc2-n2cc(C3CC(=O)N([C@@H](CS)C(=O)O)C3)nn2)C1(F)F,CJZJKNCRHZSVNC-MHMJZZGRSA-N
-rxn:1:60972:35126,CN1C(=O)CC[C@H]1C(=O)Nc1ccncc1-c1cn(CC(=O)N2CC(CO)C(C(F)(F)F)C2)nn1,WRSPSPAURIHRSU-AJUCZRQESA-N
-rxn:1:62627:17822,CC(C)C(=O)c1cc(-c2cn(CC3CC(=O)N([C@H](CO)[C@@H](C)O)C3)nn2)c2c(c1)C(C1CC1)C(=O)N2,WQGOBNAGNSUSMI-GMIIZEKJSA-N
-rxn:1:62748:17841,CC(=O)c1cc(-c2cn(CC3CC(=O)N(C[C@H](C)O)C3)nn2)c2c(c1)C(C(C)C)C(=O)N2,ZIXPPLQBRNXXOL-PCODGMICSA-N
-rxn:1:62797:34175,CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cn(CC3CC(=O)N(C(CS)C(=O)O)C3)nn2)nc1,SXXXCDIPLZMZHM-WHDUELSGSA-N
-rxn:1:64722:13567,CC1(C)CCN(C(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ccc(Br)c(C(=O)O)n5)C4)nn3)c2)CC1,OTRUNACJDAPSPF-UHFFFAOYSA-N
-rxn:1:65183:25136,COC(CN1CC(c2cn(CC3CC(=O)N(c4cc(Cl)nc5ccccc45)C3)nn2)CC1=O)OC,YNEATVKIDIRSTI-UHFFFAOYSA-N
-rxn:2:127344:154346,CN1[C@H]2CCC[C@]1(NC(c1cccc(S(C)(=O)=O)c1)C1(C)CC1)CCC2,ASOWAADZUGVREC-HNYXHPOXSA-N
-rxn:2:77257:110753,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C1CCN(c2ccc3c(c2)OCO3)C1,OGKRXGZGUVRPDF-UHFFFAOYSA-N
-rxn:3:50319:32416:122687,CC1(C#N)CC(c2cn(CC3C(c4cnc(C(=O)N[C@@H]5CCC[C@]5(C)F)nc4)C3(F)F)nn2)C1,SQMSIMZCRVEKEK-UROHZUHLSA-N
-048C7B07309597FE_08CD4FBA73AE4FEA_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3C(=CCCC3C)C)Br,SGDPKFYVBGYZIC-UHFFFAOYSA-N
-06590E249C145FBF_DC3FCB29DD298351_6039_UN,O(C2=C1OC(NCC1=CC=C2)=O)CC3=NOC(C)(C)C3,HMXFRRKWVRUWMF-UHFFFAOYSA-N
-079D13D9816A8D7D_0E36666CC24DFE17_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3CC)C4=CC=C(C=C4)C(C)(C)C)(=O)=O,FPTYRVQWQPYSSQ-UHFFFAOYSA-N
-084FB5363C5AF85A_46754B35AD80EB2F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(COC)C=CC=C2)=O,GHNVAQSJVTYMDQ-NSHDSACASA-N
-08DFAA70B38D083B_7A92CDEC8CDA4485_6041_UN,CC(=O)C1=CN=C([N]1C)N[C@H]3C2=CC=CC(=C2OCC3)C,CNDVQKFQWBQENE-CYBMUJFWSA-N
-0ABAF16D74011538_EE327BC10ACCF7E0_6041_UN,CC1=CC2=C(C=C1)C=C(C=N2)NCC3(C[S](C)(=O)=O)CCOCC3,FZHWGFZTPWECQX-UHFFFAOYSA-N
-0B3B1B3DD2753024_554DBDB615CD00BB_7017_UN,N4([S](=O)(=O)C1=CC(=CC=C1)[N]2C=NN=N2)CC3(CNCC3(CO)F)C4,PUMNKGSNTKMFGC-UHFFFAOYSA-N
-0BA08F5E7A67A192_3EDBD91DBE5ADA1F_6029_UN,C1=CC(=N[N]1[S](C2=CC=C(S2)C3(CCC3)C#N)(=O)=O)C4=CSC=C4,WCOOKZQPZDJTND-UHFFFAOYSA-N
-0C66F5E21FF4EC1D_6C5CE586027AF0B7_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(N=C(C)O3)C,BTMWBYKIUBQEBG-UHFFFAOYSA-N
-0C7A76FD14CCCBB4_22D2398E58022862_6035_UN,O(C2(CC1=CC=CC=C1)CC2)C3=C(C=CC(=C3)F)[S](=O)(=O)Cl,TWBOEPPCKHOCJB-UHFFFAOYSA-N
-0D55C38A6ACE8392_DDDCA701976EB8A3_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=CN=C(N=C2)C3CCOCC3,RWBDREKCXJHXHT-UHFFFAOYSA-N
-0D95487EB9D2300A_79460C04A34093E9_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3(CC3)C4=CC=CS4,PENGQNXJTYFPIF-UHFFFAOYSA-N
-0DA9B457B5A1F411_F329C22FEB3F7AC0_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=CS3)[N]4C5CC5)(=O)=O,JRXDTPYLGRPWJJ-UHFFFAOYSA-N
-0E500CBC4B42470B_52861377174129D5_7017_UN,N3([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)CC[N](C)(=O)CC3,IIGOBJSJIVCZMY-UHFFFAOYSA-N
-0EFB95ABE367E838_16A8C10E24F22785_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C(C(C)(C)C)S3)(=O)=O,PQTWRCBAQHEQCL-UHFFFAOYSA-N
-0F409FD750DDA414_38CF1310FD4540ED_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)[S](=O)(=O)F,DXFBAKAISNBVCC-UHFFFAOYSA-N
-0F57583450AF1777_02D8E91EF91E506C_6038_UN,COC1=CC(=C(C=C1)OC)NC([C@H]2N(C)C(CC2)=O)=O,DFLKVRXVDBJISK-NSHDSACASA-N
-108411CFF7190599_E255A1587EBE8B5E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=NC(=N2)C)=O)C=CC=C3,HCIUIDJYCKKARQ-QMTHXVAHSA-N
-108BF3A967E2D3EC_CAC04C5838B6BFC8_7013_UN,N2=C(C1=NC(=C([N]1C)C)C)[N](C3=C2C=C(C=C3)Br)C4CC4,APLZHMONABUGPD-UHFFFAOYSA-N
-109EF3721F90A291_DA47A8E024183CA5_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2(COC)CCNC2)=O)C=CC=C3,CBUNEJWGHBQXNU-VDCCYECJSA-N
-14E94A432B67D2B6_6602DA78AA593634_6038_UN,COCC(OC(C1(C(N(C)C)=O)CC1)=O)C2=NC=CS2,AFTLGDQLYHQUBN-UHFFFAOYSA-N
-15D12434C7469185_6757BF80E31F393A_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=CN(C)C2=O)=O)C=CC=C3,ATQJHKPKTLUSTP-BXUZGUMPSA-N
-1748EEB3F62147FB_46502EA4D3EEC3EF_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=CC=C(Cl)C=C3)(=O)=O,XNVQIPNVGWGNPQ-IRXDYDNUSA-N
-18941585EFB828F5_7919282D863D6691_6038_UN,CC1=C(C(=CC=C1)NC(C3C[C@H]2CC(OC)[C@H]2C3)=O)C,ICRMDVQXEAPNHI-REWIBIJMSA-N
-19371DADE6015D9B_B47139C10073D37D_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=C(C(C)=O)[NH]2)=O)C=CC=C3,DIZAIUJNKIFTNR-MEBBXXQBSA-N
-19485CBE74E524EF_A2DF4D93E5CD4DD3_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=N[N](C)C=C2)=O)C=CC=C3,RQRQZLCVNCVRJI-ZWNOBZJWSA-N
-1BAB49955D71AE99_ED51ACF850D076EC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CC3CC2=CN=C[N]2CC3,QKWAGYSWXHJLDF-UHFFFAOYSA-N
-1C16D357074639AC_C18B94A0A8CEF338_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4CCN([S](C)(=O)=O)CC4,AQVRGMWBIYDURE-UHFFFAOYSA-N
-204D119B58C4A386_2DD78B804FA6094B_6029_UN,N(CC1(CCCCC1)CC2=CC=CC=C2)[S](C3=NC=C(C)C=C3)(=O)=O,KDFUEXNZWNTZQN-UHFFFAOYSA-N
-20881DB055B3BE2A_F97F59B9D483A00E_6029_UN,N(C1(CC1)C2CCSCC2)[S](C3=CC=C(CC)C=C3)(=O)=O,CHKFIOVYVLBWJO-UHFFFAOYSA-N
-23C8CA904BA6485F_240972872331FB7E_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3=C[N](=CC=C3)=O,URMAPPAOJLRNRS-UHFFFAOYSA-N
-2458FC2D0C8FB6C9_54B9E217878B7290_6031_UN,O(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2=C(N(C)C)N=CC(=C2)Br,RGPICPJZMSLLRV-VIFPVBQESA-N
-257E6AF204595495_7195F6D1EC8920AE_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=C(C(N)=O)C=C2)=O,ZCXDLVWFEFGVOY-VIFPVBQESA-N
-26AC8C14C94DF631_ABFD922C085DD704_6038_DP,N2C[C@H](NC(C(OC1=CC=C(OC)C=C1)(C)C)=O)CO2,RNSOBVULQIHIJN-JTQLQIEISA-N
-279B7FB9A2249859_9C40EECD98A49E14_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN=CN(C)C2=O)=O)C=CC=C3,SPLJYWMNIQRDGR-ZWNOBZJWSA-N
-28CD7F907AA099E9_075C40AE4E54B1DC_7013_UN,C[N]2C1=CC=C(C=C1N=C2[C@@H]3CCCO[C@H]3C4=NC=C[N]4C)C,JJQPQDRGDHABEB-CZUORRHYSA-N
-2911BA4CCD648263_D4F8704030A094C3_6041_UN,C1(=CC2=C(C=C1)CC(=O)CCO2)N[C@@H](CC)CC(=O)O,LISRECWLUKEGKW-NSHDSACASA-N
-293CA9EB76786354_FCD508B6A59D7C0C_2875_UN,I[C@@H]1CCCCC[C@H]1[N]2N=NC(=C2)C3=CC=C(N)C=C3,HOEIGJGQYQCKTE-UKRRQHHQSA-N
-29EEB1C3125DEDFF_BBD00E3D8A9FB6A9_6038_DP,N3C[C@@H](NC(C2=CC1=C(OCC[N+]1(C)C)C=C2)=O)CO3,YUIOLHZLAJUTIB-LLVKDONJSA-O
-2B19C9DA5F985429_8ADB1B239C767874_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3C(=CCCC3C)C)Cl,SMIMZVWHXXTFAL-UHFFFAOYSA-N
-317BF6D19E7A4198_B663E5AA9D1C9D02_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=C4C=C(C)C5=C([N]34)C=CC=C5)(=O)=O)C,RKJCVJLEMLYNEB-UHFFFAOYSA-N
-331E19ACE58AE286_9A42CD6661AD15B6_6028_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=NC=C(C)C=C3)(=O)=O,IWIWVJCBVCQXGZ-UHFFFAOYSA-N
-348A1406BA1563C5_49FD466C00320B65_6035_UN,O([C@@H]1CO[C@H]1C2=CC=CC=C2)C3=C(COC)C=CC=C3,MOEKEBRGDRFBOT-SJORKVTESA-N
-3538A1D488BCFF3B_B19707A347507C1E_6035_UN,O(C(C1CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)[S](=O)(=O)Cl,JUTRXRPOGVFZTB-UHFFFAOYSA-N
-37AC78AEA2C94DD6_67F0B20E9747611E_6027_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,IOSLRUFJQMTIJM-UHFFFAOYSA-N
-3E6115423EC0D8A4_0D69E68A8AC3D1E3_6038_DP,N(C1=C(C=CC=C1)C2=NNC(=O)O2)C([C@H]3CSCN3)=O,IOONESCLIZTPOQ-SECBINFHSA-N
-3EB57E5B5E5EDB0C_65DBB0FEF21CF0C7_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC[Si](C)(C)C,XFDLZDPJIKSJFI-UHFFFAOYSA-N
-3ECADBBE836F2967_076884726CF6E505_6026_UN,O=[N](=O)C1=CC(=C(N=C1)Cl)[S](=O)(=O)N3CC4=C(C2(CCN(C)CC2)C3)C=CC=C4,ZOCSVXQNGHCGTH-UHFFFAOYSA-N
-41C1E97CAEA1538E_B70F27374B300422_6034_UN,C1CC(=CCN1)C2=CN(C3=C2C=CC=N3)CC#C[Si](C)(C)C,ALERXEQDLRJHQT-UHFFFAOYSA-N
-4206A6C2260F8617_AF5511C753501636_7015_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=C(CC)C=CC=C2)(=O)=O,LQSMUOBZBIVBDW-UHFFFAOYSA-N
-448525B8F4040BFB_903DFA2F6D3A9820_6028_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=CC(=CC=C3)Br)(=O)=O,XPUNZJCPZBAVFF-IRXDYDNUSA-N
-44BD528F5804553A_00196256F8C7D4F9_6009_DP,N1CCC=C(C1)C(C)(C)COC2=CC(=CC=C2)[S](=O)(=O)Cl,XFULXTOHEMTBLE-UHFFFAOYSA-N
-452AA635BB8FCB84_F205CDA50AC84F78_6041_UN,OC(=O)C1=CSC(=N1)C2=CC(=CC=C2)NC[C@@H]3OC(OC3)=O,YSQZVDMFAZWDRT-JTQLQIEISA-N
-45A1FC9134B69BCD_1458BEA9869516CC_6028_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC(=NC=C3)C)(=O)=O,ROUFYHCRSFOSPQ-UHFFFAOYSA-N
-46B5213C620BB119_A9680305EB352E43_6035_UN,CC(C)(OC1=C(C(OC)=O)C=CC=C1[N](=O)=O)C2=NN=C3CNCC[N]23,DQNOSOCPMUEVDM-UHFFFAOYSA-N
-49A0AAF53175B994_67A7063367A59070_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(OC)C2=CC=C(C=C2)F)=O,JKASQFNXMKELCD-RWANSRKNSA-N
-49EBBC10744F6353_40C5DD817D95CF4A_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=C(C=C3)[S](=O)(=O)Cl,ASCAUGBRCZYVOX-UHFFFAOYSA-N
-49F62142A439E97C_A9DD6C8DCCC76F8F_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C[NH]C(=C2)C(N)=O)=O)C=CC=C3,PEQRFUADFPJMGL-BXKDBHETSA-N
-4F107682B7DA2CD4_350EA7EAAFD4E84F_6038_DP,N(CC1=CC=C(C=C1)C2=NN=N[NH]2)C([C@@H]3CSCN3)=O,LZOCGLVLUYHUGR-JTQLQIEISA-N
-554D203A6BFAFF13_F70B6F5495EC7AB3_6041_UN,CC1=C(C=C(N=C1)NCC2OC3=C(C(C2)=O)C=CC=C3)C,UYKJDTFSAFEZBP-UHFFFAOYSA-N
-55FEF3BC7305676F_AF4D498A23321F81_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2N[C@H]3CC[C@@H]([S](C)(=O)=O)CC3,KNTDMBZJTGZYDJ-BJHJDKERSA-N
-562B96BB3DD51CB0_3313FD89399DAE71_7017_UN,N4([S](=O)(=O)C1=CC(=CC=C1)C2=NN=CO2)CC3(CNCC3(CO)F)C4,YJOWFQTUXARSPJ-UHFFFAOYSA-N
-57BB6271E9FAF2B8_6C0EB80DBB4A3133_6041_UN,CCC(=CC(=O)O)C1=CC(=CC=C1)NC2=CCOC2=O,HQFAPPUOSXRQFZ-UHFFFAOYSA-N
-5895FC338B2ED06C_F5DA740E42C28991_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=NC=CC(=C2)N(C)C)=O,KZTVOPMNEYVOBR-VIFPVBQESA-N
-5896F53D2F5BA73E_F53B5D59295051F4_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C=CC3CCC(=O)O3)C,SGSMXXBCBJGTPK-UHFFFAOYSA-N
-58B0A663B44ECEF4_1BCB7C621B500C12_6029_UN,FC1(CN(C1)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O)C#C,XTRPPKGUAKXKGA-UHFFFAOYSA-N
-5C901BA1F952CD02_4A1AACF8BFBFDA3F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC(=NC=C2)N(C)C)=O,NOFYSNRXHVLDPO-VIFPVBQESA-N
-5E215BEB88EBD18D_5F0E42EB8CE9BA61_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CC=C3)[S](=O)(=O)F,PCOSENFYRSMHFR-UHFFFAOYSA-N
-5E838E16E565197F_EB45586C3265A3BC_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N=C(N2CC3(CN(C)C3)C)C4=CC=CC=C4,QSCAGCOBNUBULR-UHFFFAOYSA-N
-5F48266AAC6CDB1D_3145D88D64313542_6028_UN,CC1=C(C=CC(=C1)CCN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)Cl,RITMENYDXFFHEP-UHFFFAOYSA-N
-60974516F73A4F20_DB8A16C30C22BED7_6029_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C3=C(OC)C=CC=C3)(=O)=O,BTZHQNODWXJMSE-UHFFFAOYSA-N
-64A61B1AFC803586_ADC540A623226B1D_6038_UN,O(C2=CC(=O)C1=C(C=CC=C1)C2=O)C(C#CC3(C)COC3)=O,TXHYUZQHPFWLEY-UHFFFAOYSA-N
-651CD08069F7B596_960C35561BDAC74B_6003_UN,O(C(C1CC1)C(=O)O)C2=CC=C3C(=C2)CC(OC3=O)=O,XLGUFCSJPOTQNP-UHFFFAOYSA-N
-65D1258F95DA9172_5CB352D96370DF06_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N4CC(C3(C(F)(F)F)N=N3)C4,LGTNAACEAKWUFK-UHFFFAOYSA-N
-67AA70FE5E97AE0A_D91D7340FA0D975A_7022_UN,CCCOC1=CC(=C(C=C1)NC2=NC(N(C)CC2)=O)F,IFQNANWDNPYADB-UHFFFAOYSA-N
-67FB8D0C6F101E1F_EA2B97F1DED68015_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3(C(C)(C3)C)C(=O)O,NVKGVQMONOITQG-UHFFFAOYSA-N
-6850EAB0825BF146_C531FF79E8BD319F_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C(C)C2CNC2)=O)C=CC=C3,SVPXIYGWRXKJHV-VBCZDQSUSA-N
-68AED7E0FCA14E6F_265E1F1E1EEEC841_6029_UN,N(C1(CCCC1)C2CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,MKNCPBCBCVIRQG-UHFFFAOYSA-N
-68DC8AC4D895D227_02F0083E14C339CB_6039_UN,CN2C(=C(COCC(C1=CC(=CS1)C(N(C)C)=O)=O)C[N]3N=NN=C23)C,XGDPJYRDGFUCHB-UHFFFAOYSA-N
-6A6EE522ED60805B_A09D4974E9EEBDED_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=CC(N2C)=O)=O)C=CC=C3,XAAKPSBAXPSVBV-DGCLKSJQSA-N
-6C301B3041105BAD_E5DEC5825B241654_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CC(COC)C3,VCQVFRWQOSJDPK-UHFFFAOYSA-N
-6C543B0931D08A8E_73A7CAEB82D692AA_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C3=CC=C4C(=NC=C[N]34)Cl)(=O)=O,NHSDCLZVXSJFLM-UHFFFAOYSA-N
-6D73A357CA678A0A_26E9AB506D2CE579_6029_UN,N(C1C=CCCC1)[S](C2=C(CC)C=C(C=C2)OC)(=O)=O,ZWIOSNNEOZYABY-UHFFFAOYSA-N
-6FEE78EFF4000D3A_5FCDD7C373C54BAB_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(OCC)C=CC=C3)(=O)=O)C,BLEPEEUPKGGNBR-UHFFFAOYSA-N
-7304346A3C9D6B70_EC06D4FF5F305E42_6041_UN,C1(=CC(=CC=C1)CC2CCC(=O)CC2)N[C@@H]3C(C)(C3)C,BHZDONWYUMCRDC-KRWDZBQOSA-N
-735E8EB1AF5741DF_C49E237BF16500E4_6041_UN,C[N]1C=NC2=C1C=NC(=N2)N[C@H]3C[C@H](C(OC)=O)CC=C3,RWQNWIZHKRFUGD-NXEZZACHSA-N
-74F0FAE0D8DF5A34_9AAB1AC3D0DE6C61_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=CC(=C4)C[S](C)(=O)=O,ZQKICKDPBGZWNZ-UHFFFAOYSA-N
-76314C8D87BADB78_084533074B61A2FD_6038_UN,CCC(COC(=O)C1CC(OC1=O)C2=CC=CC=C2)OC,ADHKCUMQISAWPW-UHFFFAOYSA-N
-77F953FDE1F20C9D_8223A65D5F870D3B_6028_UN,C[Si]1(CN(CCC1)[S](C3=NN=C(C2=C(C=C(C)C=C2)C)O3)(=O)=O)C,GNVGBLPOWXUTJM-UHFFFAOYSA-N
-7977EE2AE954CC2E_485CAF10E7BA08FF_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=C([N]3CC)COC4=CC=C(C=C4)C)(=O)=O,NMCQEVPUOVSLEA-UHFFFAOYSA-N
-7B7E753EFE8D38F2_B8FD7E515B0D1FF9_7022_UN,COCOC1=C(C=C(C=C1)OC2=CC=CC=CC2=O)Cl,AJXXHPFFLGRDGW-UHFFFAOYSA-N
-7DBE5CD64ED2893E_5DD996494C5BF724_6038_DP,N(CC1=CC=C(C=C1)C2=NN=N[NH]2)C(C3CSCN3)=O,LZOCGLVLUYHUGR-UHFFFAOYSA-N
-7E3544FDC09981E3_5E838B018CBB8A11_6041_UN,CC(=O)C1=C(SC(=N1)N[C@H]3C2=CC=CC(=C2OCC3)C)C,SOUZMTDDZWHWHQ-CYBMUJFWSA-N
-7F08BF984BD94A8D_0756B3F14A675245_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3[N]2N=CN=C2CCC3,NPMNFEQQMQUDKL-UHFFFAOYSA-N
-808CB5433031BA95_43F73859A42EF9F9_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(OC)C=CC(=C2)C)=O)C=CC=C3,JMYGRWWOXBMNAQ-CZUORRHYSA-N
-81030FD627CAE8F4_AFB8497A0746F97A_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)F)[S](C3=CC=C(C=C3)Cl)(=O)=O,LJPHAGVNVJAODN-UHFFFAOYSA-N
-813422174B2021DC_10B78BA0CE8C17F4_6003_DP,N3CC(=CCOC2=CC1=C(OCC(N1)=O)C=C2C(C)=O)C3,NWTFJDZPTYMHGT-UHFFFAOYSA-N
-81F461924CD537C3_6E6ED008F57D1A46_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)N[C@@H]4[C@H](C)C[S](C4)(=O)=O,AXSCTQRCSCFXTN-SCZZXKLOSA-N
-82DAE497BAED706B_EC6D1F0C1398034B_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(N(C)C)C=C2)=O,LPHHRVYQAHSXMZ-LLVKDONJSA-N
-83040A76AF2F8A4B_2CAB92CFB92EB347_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NN=N[N]3CCN(C)C)(=O)=O,ZGFGKXHDYBBDTR-UHFFFAOYSA-N
-8383C875C29CB09B_E227AA5D2008A92C_6029_UN,C[Si]1(CN(CCCC1)[S](C2=CC(=CC(=C2)I)Cl)(=O)=O)C,LYCAEHFCDNAKQT-UHFFFAOYSA-N
-85D37F78CF91787F_D702F63FFCAB5A61_6029_UN,OC1(CN(CC1)[S](C2=CC=C(B(O)O)C=C2)(=O)=O)C[N]3N=NC=C3,ZPOKJLMQMWFLLS-UHFFFAOYSA-N
-8636267FCC2E892B_71386E705360550F_6041_UN,CC1=CC2=C(C=C1)C(=CC=N2)NCC3(C[S](C)(=O)=O)CCOCC3,YQXGXVBTAVEUAW-UHFFFAOYSA-N
-8814206C9FF96CB4_4BDF2B9999369F02_6036_UN,CC4=CN1C(=NCC(C1)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=CC=C(C=C3)I)C=C4,KPJOEDGPHGEOSP-UHFFFAOYSA-N
-8BAB772EA14EB04E_A8C6FBD767410C63_6026_UN,FC1=CC(=C(C(=C1)Cl)[S](=O)(=O)NCC3=CN=C(N2CCCN(C)CC2)C=C3)Br,CIQUDEAFJXYMHM-UHFFFAOYSA-N
-8D10E84F58F1DD80_68665A36A40C2E17_6035_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)Br,JJZQMAKMYLLNJO-UHFFFAOYSA-N
-910D6DCE00ED0D21_0A1686A4733F4D49_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C(C2CNC2)F)=O)C=CC=C3,ULNASVOYPPCDDH-CWCJDUIQSA-N
-93711BCC953F7147_A812CE0080609450_6029_UN,C[Si]1(CN(CCC1)[S](C2=C(OC)C=C(C=C2)I)(=O)=O)C,QCJUNOWMNYHNGF-UHFFFAOYSA-N
-93FEC3E047DE399E_F83D66D69C946E15_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)N[C@H]4CC[C@@H]([S](C)(=O)=O)CC4,SDEQPYWUDNEMJH-BJHJDKERSA-N
-942012F47FEEF7B3_90074A1779BFDADA_6029_UN,C[Si]1(CN(CCCC1)[S](C2=C(C=C(OC)C=C2)Cl)(=O)=O)C,NCPXUALTBZOCJQ-UHFFFAOYSA-N
-9966DBFDBFE9FF3C_8AE297536F1CAA8E_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NC=C[N]2C)=O)C=CC=C3,CGFGJBAEWGXVGM-ZYHUDNBSSA-N
-9A175F26E2227A84_DAD7A8E7F2C5B126_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CC=C3)[S](=O)(=O)Cl,QTIZNUZEEOUBFV-UHFFFAOYSA-N
-A1235DB86BDEFE28_C31D4AD53E44D7EA_6036_UN,C(C#CC1=CC(=CC=C1)Cl)N([S](=O)(=O)C2=CC=CS2)C3=NCCN3,GFAOZTKDVWCOMA-UHFFFAOYSA-N
-A180D47733572FD4_FBD623D47A4F38F1_6035_UN,CC4=CN1C(=NCC(C1)OC2=CC3=C(C(=C2)[N](=O)=O)C=CC=C3)C=C4,DOWJTLXEPGRZMU-UHFFFAOYSA-N
-A1B56A6B140D3A38_6BE37F37190BC5DD_6034_UN,C1CC(CC=C1)C3=NC2=C(C=CC=C2)N3CC4(C)CC(=O)C4,ACOOWFRSZMUHEU-UHFFFAOYSA-N
-A1CCF11F436C2FCF_D9F4E6A2E253F2BB_2875_DP,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C(N3CCNCC3)(C)C)Cl,BRDKFGZTADHJNA-UHFFFAOYSA-N
-A2408B948F15C017_74E93ACFE6E46B78_7005_UN,C[P](=O)(C)C1=CC=C3C(=C1)N=C([C@@H]2CC=CC[C@H]2C)[NH]3,ZAGMGGJYJKKHRM-DGCLKSJQSA-N
-A312092854D8900E_87AF5A78062A6D59_6041_UN,C1(=CC(=CC=C1)C(=O)C2=CC=CC=C2)N[C@H]3[C@@H]4[C@H](C3)[C@H]([C@H](C4)O)O,UWQNVNFCSFHGID-HBWRTXEVSA-N
-A395287664CF5049_ADC0D576AF969084_6035_UN,CC4=CN1C(=NCC(C1)OC2=CC3=C(C(=C2)[N](=O)=O)C=N[NH]3)C=C4,YQFNSOMDDIWAMO-UHFFFAOYSA-N
-A3DDA4BA5A74C2F9_1B8552B396395C36_6041_UN,C1(=NN=C2CCOCC[N]12)NC(C)CC3=CC=C[N]3C,JUGVRHGXWPLWFN-UHFFFAOYSA-N
-A49D3A9DB640DA2F_7A0527CB43848523_6038_DP,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CC=CC(=C3)O)=O,PEYOFGWHQLJMCX-UHFFFAOYSA-N
-A4C69E2528EF11D1_1BC9B63072D50AB2_6029_UN,CC1=NN=C(C=C1)N2CCN(CCC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,XSWCDNKBMRUQIB-UHFFFAOYSA-N
-A547C23280B9026C_06CA8994CCFFDE4F_6041_UN,CC1=NC4=C(C(=N1)NC2=C(N(C)C)C=CC(=C2)F)C3=C(CCC3)S4,OCHKWNBSAFZHTJ-UHFFFAOYSA-N
-A5B6C0CF006CB45B_F14BD6DDDA342EEA_6041_UN,C1(=CC=C(C=C1)C2=CC(=O)CCC2)NC(CC)COC,OAZVGLIVIJQZRZ-UHFFFAOYSA-N
-A5FADC9CF882391B_18E38A5826277DDA_7017_UN,N3([S](=O)(=O)C1=CC2=C(C=C1)N=CS2)CCC(N)(CC3)C4=NN=N[NH]4,YATXEDAOZLVAMT-UHFFFAOYSA-N
-A631811194812811_2A502961C405B6F2_6029_UN,N(CCC1(F)CCC1)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,XWHNLTCILAAXAI-UHFFFAOYSA-N
-A70E1542D879AABC_648B89BBF0312915_6041_UN,C1(=CC2=C(C=C1)CC(=O)CO2)N[C@@H](CCC)CC(=O)O,KGNRNDCBVSMVKP-NSHDSACASA-N
-AA824A7E309EBD0E_DF0C32B55A8AB8F5_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NN=C(N)C=C2)=O)C=CC=C3,UJYCDSIXCYTCMR-BXKDBHETSA-N
-ADA25CA92D1B33CE_2A8F20B10B2FAFBA_6039_DP,N1CC(=CC1=O)OCC(NC2=CC=C(OCC)C=C2)=O,IMSZAQJZFGKVMU-UHFFFAOYSA-N
-B0124B60A69DB985_198357902ADCF25B_6041_UN,COC1=C(C(=NC=N1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C(=O)O,JCKZMNDCAIWCOH-JTQLQIEISA-N
-B0E136DF54B18439_38F01A2F207F3E5F_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NNC(=CC2=O)C)=O)C=CC=C3,GRVPDYPDQGBPTA-ZYHUDNBSSA-N
-B1088F2A97281F7F_E19547361728DA72_6034_UN,CN4CCC1=C(C3=C(N1CC2=CN=C(C)S2)C=CC(=C3)Cl)C4,CRPANHWRTYOKFF-UHFFFAOYSA-N
-B25C2843088C40BB_D613044606611427_6041_UN,C1(=CC2=C(C=C1)C(=O)CC2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,ARUHJSKVYPJYHS-GOSISDBHSA-N
-B3E642303C7271F1_F742C077FEF5419E_6036_UN,C(CC1=CC1(F)F)N([S](C2=CC=C(N)C=C2)(=O)=O)C3=NCCS3,HGXZQZRONYOXNM-UHFFFAOYSA-N
-B3FAA0BF25E28009_64F320D7C4D03DEA_6035_UN,CC3C(OC2=CC=C(C1(CC)NC(=O)NC1=O)C=C2)CC(=O)N3C,FQXVBOSNXCZZEB-UHFFFAOYSA-N
-B43B42DCC61BA548_2F47566E95A3A8FA_6003_UN,COC(C)C(OC1=CC=C2C(=C1)C(OC2=O)=O)C3CC3,UPJUQWGVYVQZFX-UHFFFAOYSA-N
-B4C627E48DC89F28_E6BBBAF8E544C01F_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CN(C)C)C=C2)=O,QLBJKNJDHLKFRW-GFCCVEGCSA-N
-B7ECCA376370DB57_B58F161EB52AB13A_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(=O)C3=CC=CC(=O)N3O,FVWJLGNBDJTIDD-UHFFFAOYSA-N
-BADE605A17769744_B0A6A7AB2C3DBF80_6028_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=CC(=C3)OC)(=O)=O,YRGSCUMQVHJGOV-UHFFFAOYSA-N
-BCF32630A7289B00_1D377E76BB14740C_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(=O)CCC2=NC(=NO2)C3=CC=CO3,QZXSMBHBZPDTPG-UHFFFAOYSA-N
-C04ADCAA45D9A5D3_B7D3E298DED89E26_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NN(C)C(C=C2)=O)=O)C=CC=C3,IVHXQLZPKWIACM-ZWNOBZJWSA-N
-C0588EE4F26D2030_B2F5C4CDDC033F08_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(=O)C2=CN(C(C=C2)=O)O)C=CC=C3,FEHNENWBPMSZDK-ZWNOBZJWSA-N
-C0646B70D676AEE3_50C0950D75C39CDE_2875_UN,N2=N[N](C[C@@H]1COCCO1)C=C2C3=C(C(C)=O)C=CC=C3,UTJSAXHKICRLFE-GFCCVEGCSA-N
-C089BFA637A25588_B36DCADAB7F45CAA_2875_UN,O[C@@H]1CCOC[C@H]1[N]2N=NC(=C2)C3=C(C(C)=O)C=CC=C3,WLMRQCRHVUKXNU-HUUCEWRRSA-N
-C1E506CAED6DFE53_A5674A5ECD23A9F1_7019_UN,C(C1=NC(=O)NN1)=CC2=C(O)C=CC(=C2)C3=CC=CC=C3,WPGHBLQQPBJGKX-UHFFFAOYSA-N
-C8721329272B835C_46CAA0F6BFD0803B_6029_UN,IC1=CC=C(C=C1)C2=N[N](C=C2)[S](C3=CC=C(C=C3)C4(CCCCC4)C#N)(=O)=O,HDTMFAULZUWYHG-UHFFFAOYSA-N
-C90DA0169669AC0C_21595A408EC04F2A_6041_UN,COC1=C(N=CC(=C1)C(=O)O)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,LURQATFQFUFGAM-LBPRGKRZSA-N
-C9DE4510E83DAC05_E53AD8CDBB996102_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C(C)C=C2)[N](=O)=O)C=C3,IRULHKXTAUEWOB-UHFFFAOYSA-N
-CAA8ED474BF84CCA_3B45447AF760CCF0_6004_UN,C1(=CC2=C(N=C1)CCCC2=O)C3=CC=C(OC(C)C)C=C3,WAJFMVWIOAETLQ-UHFFFAOYSA-N
-CAED207F158ADB20_63D7B9120C6A0307_6038_DP,CC(=O)C1=CC(=CC=C1)NC(C2(NCC(OC)C2)C)=O,QNEIMOGMBXDWQI-UHFFFAOYSA-N
-CD16AEB3C101FB94_FDC6046E37E385C2_6029_UN,N(CC1(CCC1)C#C)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,VXCNNRUTFPHHMI-UHFFFAOYSA-N
-CD299BE55FEFDB45_465A40ABB6028917_6009_UN,C1(=CCCNC1)CCCN[S](C2=CC=C(C)C=C2)(=O)=O,BRLLDRLQPDJSPI-UHFFFAOYSA-N
-CF26221462B5D5D5_A665287EDCB0B98A_6029_UN,N([C@@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)F)(=O)=O,YGDCNSSOEQBSMT-HDJSIYSDSA-N
-D04CEE2B6394F1F5_A7994CBF18D2F63A_6029_DP,CN(CC1=CNCCC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,JNLOXHUFWHQOJO-UHFFFAOYSA-N
-D1778D124BF86B5A_DC1F68DAD52F766C_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=C(C=C3)[S](=O)(=O)F,WZPYNADBNDTCLR-UHFFFAOYSA-N
-D1CED92C6CDB1F18_7F59FD5C93F6DFF6_6035_UN,CN2CCCC(OC1=CC=C(C=CC(OC)=O)C=C1)C2=O,ZPQPISRUPHPZMC-UHFFFAOYSA-N
-D318C19289B428A3_4A41DB59E369CFE9_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=N[NH]C(=C2)C)=O)C=CC=C3,WJNHTGNQEHCPBW-ZYHUDNBSSA-N
-D40EDC9A20C1E8F9_413D1242D8AF1F23_6029_UN,N(CC1(CCC1)C2CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,OTUOYLNNGRMNQI-UHFFFAOYSA-N
-D497F1B73C00F177_BB659D9EFC0CE4DA_6041_UN,CC(=O)C1=CSC(=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C,XDKLKTCWEPRIOO-LBPRGKRZSA-N
-D4AB54CF8F6F0B48_62AD3C6E85367ABA_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2N=CN(C)C2)=O)C=CC=C3,GNXGEZIFQQZGKX-HLVWMGJTSA-N
-D570267546B582ED_C058937A32D106B8_6029_UN,N(N1CCOC1=O)[S](C2=C[N](N=C2)C3=NC=CS3)(=O)=O,XUIHHYDNKUWNIU-UHFFFAOYSA-N
-D5BC97272926916A_1BE46C11B3903E28_7017_UN,N3([S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)Cl)CC(N)(CC3)C4=NN=N[NH]4,AYKXUWMMNPQYOO-UHFFFAOYSA-N
-D72F6DBB729EF290_37FDAE66FE644D00_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)OC3C[C@@H](OC)[C@H](C3)OC,QLKOQULYMRHIHS-YQQQUEKLSA-N
-D818B2B38BF842F2_521AB830942CC25A_6035_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)Cl,JGWPFSCKSMEBTQ-UHFFFAOYSA-N
-D81CD230094DAF2E_90B2D5D3605B3D0C_6029_UN,C1C(CN1[S](C2=CC=C(N=C=O)S2)(=O)=O)C3=NOCC3,JVTLOEUSCQABQV-UHFFFAOYSA-N
-D849D69AA61A1846_4B089CEB45DE40E8_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NC3C[C@@H](OC)[C@H](C3)OC,GMNHIBZIYQCVCB-SFESLNEESA-N
-D8F97B875CDA3D82_013802C3DFC331C9_6041_DP,O[B-](O)(O)C1=C(C=CC=N1)N[C@H](C(O)=O)C2=CC=CC=C2,HWWUATGLQHJEPX-NSHDSACASA-N
-D9D7DCC6D9B6E8C6_4590C6486E379061_6003_UN,CC3CC(COC1=CC=C([N](=O)=O)C2=C1N=CC=C2)C3,ZBJUVNVQKIHXCQ-UHFFFAOYSA-N
-DA07798460F05B4F_E5C394DE325D7518_7022_UN,COC1=C(C(=CC=C1)OC)OC2=C(C(=O)CC2)C3=CC=CC=C3,RSXDINKXFYARSS-UHFFFAOYSA-N
-DA6CF1B94FF898C6_01686C812810BBB8_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(=O)C2=NNC=CC2=O)C=CC=C3,SYZVVPTWKDLELP-MWLCHTKSSA-N
-DA85F50772877368_5C0401FD2CF6DAF4_7013_UN,CC(=O)[N]2C1=CC=CC=C1N=C2[C@@H]3CCCO[C@H]3C4=NC=C[N]4C,QQGSYCKSSGNPED-CZUORRHYSA-N
-DB4DEE904E52EEF4_A154B836FB3C8F32_7019_UN,C([C@@H]1CCC(=O)N1)=CC(CC2=CC=C(CCC)C=C2)C,QDEZSTATJKWMQK-FBMWCMRBSA-N
-DB85254095DB5857_11F57ABD68F56FB3_6041_UN,COC1=C(C=CC(=N1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C(=O)C,GLDQHDTZFZJBFM-AWEZNQCLSA-N
-DBBF2DA37AAA0978_A46ABEF74AA105C5_6031_UN,O(C(=O)C1=NN(C(=O)CC1=O)C2=CC=C(C=C2)F)CCON,ZMRRKDMHEXLNLB-UHFFFAOYSA-N
-DC0952BAD2A2AEB8_9D3CB721BE0BF160_6034_UN,C1NCC1C3=NC2=C(C=CC=C2)N3C[C@H]([C@H](OC)C)N,MREMTGUCKSHHOY-ZYHUDNBSSA-N
-DC3A4C5DE98884D3_F980D507E59C461B_6006_UN,OC(=O)C3=CC1=C(N=CN=C1C2=CC=C([Si](C)(C)C)C=C2)NCC3,YXIJDKWLNYEGMZ-UHFFFAOYSA-N
-DDF314D6F08D979C_2EFC800A1C8FF672_6041_UN,CC(=O)C1=CC(=C(N=C1)NCC2OC3=C(C(C2)=O)C=CC=C3)C,YKPRJMSTWSFUMT-UHFFFAOYSA-N
-DE8532E9077C4C42_62D9E48009C36117_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=[N](C=CC(=C2)OC)=O)=O)C=CC=C3,AOPBXKMOEUHMIZ-BXUZGUMPSA-N
-DFF52AD45138B65F_135BD34FEFF441FD_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=CC(=C2)OC)(=O)=O)C3=CC=CC=C3,YEKUMZXFVAIGAJ-IAGOWNOFSA-N
-E0359D2EE3C4FCCC_2E7C3025EDBF0665_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)CN(C)C)=O,QBQVZEQUFZQBGL-LBPRGKRZSA-N
-E291A11AF5D8CA8E_6934BB39742FF9D0_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)Cl)(=O)=O,IAJCERRQBJXYOI-OKILXGFUSA-N
-E38824EEF94E1633_2E3802A5AFE92488_6041_UN,CC(=O)C1=CSC(=N1)N[C@H]3C2=CC=CC(=C2OCC3)C,XDKLKTCWEPRIOO-GFCCVEGCSA-N
-E3BA8D3A5C8C21A7_95F015CEE9244A74_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN(C)C(C=N2)=O)=O)C=CC=C3,COAZSHXIQBEJBY-ZYHUDNBSSA-N
-E8E0FFB85D88CA73_8AF6D2A32949D6FA_6041_UN,FC1=CC=C(C=C1)[N]2C=NC(=N2)NC3CN(C)C4(C3)CCC4,XYDGBJSPLXXEIV-UHFFFAOYSA-N
-E9A6E9F5F0BE35C1_1400C03A9D18ADD3_6029_UN,C1C(CN1[S](C2=CSC(=N2)[N]3C=NC=N3)(=O)=O)C4=NOCC4,KKGVSXOYJJNREE-UHFFFAOYSA-N
-EAF1318E19A13703_53B5031234F1E774_6028_UN,C[Si]1(CN(CCCC1)[S](C2=CC(=CC(=C2)Cl)Br)(=O)=O)C,AVJGWTPUZVNUON-UHFFFAOYSA-N
-EB0D5E3A7C6FC8AD_EE0C76F85D61E10B_6038_DP,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C(C3=CC=C(C(O)=O)C=C3)=O,KMOVGQAGQKTVSG-UHFFFAOYSA-N
-ED349F9409750A8B_82AC2F7F07CF81B6_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(CCC(OC)CC2)C)=O)C=CC=C3,HTTQPZAUXALXPL-NYNFEOTOSA-N
-EDEE25993487C385_36D0290919EC3F14_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NCC3(C[S](C)(=O)=O)CCC3,BNAWVBIMPBQDLN-UHFFFAOYSA-N
-EE4DCBCA217CA04A_8E5CBFD2C13A59FB_6041_UN,C1(=C([NH]N=C1)C2CCC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,YSKBQWDRWKITCP-UHFFFAOYSA-N
-EF19F7BA70E3B234_1BCD070AA11F4BE3_6035_UN,O(C1=C(C(=O)CC1)C2=CC=CC=C2)C3=C(OC)C=C(C=C3)F,WFARJYDROATFHQ-UHFFFAOYSA-N
-EF9307A4312B02EB_FFD14E9B960FD28A_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN(C)C(C=C2)=O)=O)C=CC=C3,NUPAVBBQKQFQDR-BXUZGUMPSA-N
-F1E8D11CD5EC0481_E48F44D4206AD78B_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4CCC5(CC4)C[S](C5)(=O)=O,SWBYQFCPKVZAAQ-UHFFFAOYSA-N
-F21FF824BA01268F_38DED7515F68B376_2875_DP,CN[C@H]1CC[C@H](CC1)[N]2N=NC(=C2)C(C3=CC=C(C)C=C3)=O,XJKOUJFSGQVYGV-GASCZTMLSA-N
-F2585E828CB8316B_E9E633CA2E61599F_6038_UN,C[C@H]1OC2=C([C@@H](C1)NC(CC(COC)C)=O)C=CC=C2,SRRUBDROZGVPAN-JWCMVYSZSA-N
-F3A1765DBA4921A2_B59C07DFBF7F1A5D_6038_UN,CC(NC(=O)C1=CC=C(O1)C2=CC=CC=C2)C(=O)NO,YYRMDVVGOFJWLE-UHFFFAOYSA-N
-F7DAD4E423A4D5AF_B16AF3691E520AC4_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CC(C)(C)C(C)(F)F,SIZFNQWQHMIWNI-UHFFFAOYSA-N
-F8E07BCF0006538C_C594FF57E7909550_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2=CC=CC=C2)NC3C[C@@H](OC)[C@@H](C3)OC,KKQONULXMDHXRA-QZTJIDSGSA-N
-F9FB05B0343D98CB_78021DE09FC8B576_7022_UN,C1(=C(C=C(C=C1)C2=CC=CC=C2)F)OC3C[C@@H](OC)[C@@H](C3)OC,ZTLLNQQWJIOWNI-RTBURBONSA-N
-FAB871806F0F3977_C9B8746D3DA13749_6029_UN,N(CC1(CCCC1)C2=CC=NC=C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,PRHKZKKOYGOMKK-UHFFFAOYSA-N
-FC1C296CB70F092E_938D9F96FD6B6C98_6034_UN,ClC1=CN(C2=C1C(=NC=N2)N3CCNCC3)CC4=CC=C(C=C4)[S](=O)(=O)O,MIHXREBWSXCKDJ-UHFFFAOYSA-N
-FC7C76FD6E56FD98_1593CEAEACE17454_6028_UN,N(CC1(CCOCC1)C2=CC(=CC=C2)F)[S](C3=CC=C(C=C3)I)(=O)=O,ZPGYNJHRFJEECY-UHFFFAOYSA-N
-FCDAC491F00C60F1_831C3CE3D3D4D5B6_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC(=CC=C2)F)CC3=CC=C([S](C)(=O)=O)C=C3,XVOZZQJFDNJCLA-UHFFFAOYSA-N
-FDC1E911A976A1D5_F7F3C7C8D127A498_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C[N](C)C=N3)=O,KMYMSVJMSYZCFH-ZDUSSCGKSA-N
-FEB19620E6492BF8_40E9B8A945C97801_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C[N](C)C=N2)=O)C=CC=C3,LNLWNYPIAWLRCI-ZYHUDNBSSA-N
-FFAF39B9DEA0959C_7465CC188EBC389B_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=C(O)C=C2)=O)C=CC=C3,QHNUEEZYCURVIS-IAQYHMDHSA-N
-FFEBE8264621375B_781C183DB42AEAF5_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CCC(OC)C2)=O)C=CC=C3,NKCRPPGLAIWTKJ-XZNOPERXSA-N
-0083484671380FD1_F4B68C0AC2E8B034_6041_UN,CN4CCC1=C(C(=NC=N1)NC3C2=CC=CC(=C2OCC3)CC)C4,KMMSASKDIOIYGS-UHFFFAOYSA-N
-022E66CDF352A5F5_6C98F098E450BFF1_6035_UN,O(C(CC1=CC=C(C=C1)Br)C2CC2)C3=C(C=CC=C3)[S](=O)(=O)Cl,MFYAYPKKGKUENB-UHFFFAOYSA-N
-02A4A6A6D6E0D603_36C4A514D6543841_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=CC(=C3)C)O,AQFXUQOFQSZRFD-UHFFFAOYSA-N
-0432E77988819B7B_1E33C65007C20F04_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC(=CC=C3)Cl)[N]4C5=CC=CC=C5)(=O)=O,JIFXXPVOLINHKF-UHFFFAOYSA-N
-04EE634089727B1F_0DFB9781185885F5_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,DAQQFKCQPALTEJ-HXUWFJFHSA-N
-0505AC54D7CAE890_7B667FFF297379CC_6041_UN,CC1=C(N=C(N=C1)NC2=C(C=CC(=C2)N3CCN(C)CC3)[N](=O)=O)[S](=O)(=O)C,BGBVOSAAWNQVOM-UHFFFAOYSA-N
-05065D709AF71972_A5474780C5BF075D_6038_UN,N(C1C2=C([S](CC1)(=N)=O)C=CC(=C2)F)C(C=C3CCN(C)CC3)=O,UEKROAKWUQRQNR-UHFFFAOYSA-N
-0510082C6EA51586_6FBF8B0A7C692438_6041_UN,CC2=NC1=NC(=N[N]1C(=C2)C)NC4=C(C(C)=O)C=C3OCOC3=C4,YFWXGJALLYACIO-UHFFFAOYSA-N
-0535554A25922E71_804C440BA7DDD4EB_6041_UN,CC1=NC(=C(C)[NH]1)NC2=CC(=C(N(C)C)C=C2C#N)C,DGYLYEMXKZQNFR-UHFFFAOYSA-N
-058204828007C7AB_26C2975B7BBBC200_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC3(C2=NN=C(C)[NH]2)CC3,BANXCYYFAWJWCB-UHFFFAOYSA-N
-06155488B4B7753C_B18D6706CA86A36D_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC4=CN=C(N3N=C(COC)CC3=O)C=C4,YTJCRKWNCPZHBJ-UHFFFAOYSA-N
-0619E763EF1872A3_27475B4C8E7D93C4_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(COC)C=CC=C2)=O,GHNVAQSJVTYMDQ-LLVKDONJSA-N
-06760667414F4F36_9F54F5053C43573E_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=CC=C(C(CC(C)(C)C)O)C=C3)(=O)=O,KVRYWKPWYBYNBG-UHFFFAOYSA-N
-067E9D1D916F8B8F_9443D1A051788B1D_6041_UN,CC1=C([N](=CC=C1)=O)NC(C2=NN=C(C(CC)C)[NH]2)C,VIEYLNABUPRNKO-UHFFFAOYSA-N
-0A4234B3F89CCD3E_6751C71F8DBD5FD0_6041_UN,C[N]1C(=NN=C1C2=CC=CC=C2)N[C@@H]4C3=C(C=CC(=C3OCC4)C)C,ZLBOKXVEQATLRF-INIZCTEOSA-N
-0A83AD05885E5560_A1F3642A603CB2E5_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(CSC)C=C3)(=O)=O,YECWZBBFNDTLDT-UHFFFAOYSA-N
-0AC26C13AD88A674_2DEB883A3B442FC6_7022_UN,C1(=CC=C(C=C1)C2=CC=CC=C2)OC3C[C@@H](OC)[C@@H](C3)OC,GKQICMKSWUXEBH-RTBURBONSA-N
-0CD7CD5594D2D560_BB21EED5CBD6E445_6029_UN,CC1=C(C=CC(=C1)Cl)C2=CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,JCLPQRQIJQXVND-UHFFFAOYSA-N
-0D33A8EC954786E8_2D3A657D4669542B_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC4=C(C=C3OCOC3=C4)Br,YADOQHKFYUIRNP-UHFFFAOYSA-N
-104799BCDDCD893D_D651DA77B1A95666_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=C(SC)C=C3)(=O)=O,KYMUZBXLBLVAOB-UHFFFAOYSA-N
-131C44FD07BC5116_BFB6F4C8654B9465_6041_UN,OC(=O)CCC1=C(C(=CC=C1)F)NC[C@@H]2OC(OC2)=O,JGWPWOPGVJSIMC-VIFPVBQESA-N
-150819175CFB6E1C_5155305CF8060B78_6038_UN,CCC(NC(C1(N(C)C)CC2=C(C1)C=CC=C2)=O)C3=NN=N[NH]3,RVEGRBDIAUOJDV-UHFFFAOYSA-N
-15A6120910CDB107_03A2D63B025D4479_6041_UN,C1(=NC(=N[NH]1)C2CC2)NC3=CC=C(C=C3)O[S](=O)(=O)F,XZNSRARMHQRQNI-UHFFFAOYSA-N
-160FCB1192D85190_91799F15B8B4F0C3_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=CC(=C2F)C3CC3,HUKRLSDETPDIDZ-UHFFFAOYSA-N
-1655567EC3CE6FC1_2715A1069D029ADE_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C#CC)C=C3,GZTQSVXOSKQDEO-UHFFFAOYSA-N
-166A496EF3FD9048_7FCC5273CB6CE205_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C(OC)C2=CC=CC=C2)=O,GVMKIYYSYWJMBR-NUHJPDEHSA-N
-17B19AF5B04839AB_08A980D90920935C_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCCC3CCC(OC)CC3,YSLHOSNTBBAAME-UHFFFAOYSA-N
-17BD703561AFD0EB_8FAA1DE7269DC5CD_6038_UN,N(C1=C(C=CC(=C1F)F)C#N)C(C3=C(N(C)C2=NC=N[N]2C3)C)=O,XLKQGVUNFNIPHL-UHFFFAOYSA-N
-1878481086097BF2_73D6A88D6D1DF36F_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C[N](=CC=C2)=O)[N]3C4CCCC4,IAEZSCPQFWBSQF-UHFFFAOYSA-N
-19EFADA50B989618_091343A90927AEAB_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2CCC(N(C)C)CC2)=O)C=CC=C3,CRMNKACKSYSFBG-ARAOSMHQSA-N
-1C5144B7FE1615F5_D98C2EB6DA0346CC_6038_UN,C[C@@H](NC(C1(N(C)C)CC2=C(OC1)C=CC=C2)=O)CC3=NN=N[NH]3,JRPDZMBWLBEUEY-ZVDHGWRTSA-N
-1CBCE3DE7DC42960_F45C327CED3CD22D_6041_UN,OC(=O)CCC1=NC(=NO1)C2=CC(=CS2)NC3=C[N](=CC=C3)=O,KXIWTOGGMGMDAE-UHFFFAOYSA-N
-1E28E35C8E48E912_1BFFCA7B0A174C57_6041_UN,CC1=C[N](=CC(=C1)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3)=O,GPLKIYDLEGWITE-KRWDZBQOSA-N
-1EDF298F1BAAF199_F7D282B3FC181C33_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,UAXNFSCELHYKBO-OAHLLOKOSA-N
-2021222811ED60B3_38B86A3C62C20FA0_6041_UN,CC2=C(N=C1C(=CC=C(C1=C2)C)C)NC3C4=C(OC3)C=CC=C4,NRRUKOIDNZPRHC-UHFFFAOYSA-N
-2124129D7E4B898D_5BA721C66B2C2469_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=C([N]3C)C4CC4)(=O)=O,YSKSZPWIWQEOJQ-UHFFFAOYSA-N
-225CA11E8026A462_74FA78D420C3547E_6029_DP,OC1(CN(C1)[S](C3=CN=C(N2CCCNCC2)C=N3)(=O)=O)C4=C(C=CC=C4)F,BGDKHVJIXGPHSB-UHFFFAOYSA-N
-23E6207B64DC04C7_0F39AF71AD9ACCB4_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,GKLLAJZEASKIHD-UHFFFAOYSA-N
-24CE248564275591_3BE872FE342727AC_2201_UN,CC2=NC1=CC=CC(=C1C(=C2C3CCCO3)C4=CC=CC=C4)C,XLDRGPZLFKUSEZ-UHFFFAOYSA-N
-26537F2488EA2D4C_C8E8397AFC686A8F_6041_UN,OC(=O)C2=C1OCCOC1=C(C=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,ILBCPKDKOJRMNL-UHFFFAOYSA-N
-2666758E8EFB7B9A_748AF6F4E9C1D501_6029_UN,C1CC(=CCN1[S](C2=C(F)C=CC(=C2)C3CO3)(=O)=O)C4=NC=CS4,OXQKAWVAZWVDIY-UHFFFAOYSA-N
-295AE51559012C97_D820CAC5F038977B_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,BRINQWAVBSRYBN-UHFFFAOYSA-N
-297C2D239809C762_629C571D380AE2DB_6041_UN,OC(=O)C1=CN=C(S1)C2=CC(=CC=C2)NC[C@@H]3OC(OC3)=O,YBTRQGJIVVEPHM-JTQLQIEISA-N
-29C43261BD94F7C2_15F03D5CA9C44D0B_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C3=C(SCC2)C=CC=C3,VQACQGYZUTTWQC-UHFFFAOYSA-N
-2AF46A14E5E19640_53D712205757203D_6041_UN,OC(=O)C1=C(C(=C(C=C1)C#N)F)NCC2OC(OC2)=O,VKPHDFMFLXZIPC-UHFFFAOYSA-N
-2B93ACA0AD8A8D9B_116FE7C46C8DC996_6038_UN,CN2C(=C(COC(C1(N(C)C)CC1)=O)C[N]3N=NN=C23)C,ZANKPLITCGMBNB-UHFFFAOYSA-N
-2BDB85E87108025B_276476ADCD6CD9C3_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)N[C@H]3[C@H](COC)CC3,IXKVBPISQWGCMO-MAUKXSAKSA-N
-2D972BB2938BF5E5_7DC3352C0F368D7F_6041_UN,CC1(C)C(CC1=O)C2=CC=C(C=C2)N[C@H]3[C@H](OC)COCC3,IABUGQPKNGHRRX-ANGDWKNPSA-N
-2F17198B16E28B89_9A89679ECB8AD78D_6041_UN,CC1=CSC2=C1N=C(N=C2NC3=CC(=C(N(C)C)C=C3)F)C4CC4,PPZVBORUVJGFOS-UHFFFAOYSA-N
-3001AEC9A55123BA_5BBAE687DE10E261_6041_DP,N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,XWYNEDHVBUFMLR-HNNXBMFYSA-N
-33259DCAB6DC49E5_90E3315720BABC5B_6029_UN,ClC1=CC6=C(C=C1)C(=C2CCN(CC2)[S](C4=CC3=C(C(O)CCCO3)C=C4)(=O)=O)C5=C(C=CC=N5)CC6,WPRKLDKOQQOXBX-UHFFFAOYSA-N
-34747152EE25820B_2445B60C6014F6D4_2201_DP,CCC3CCNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34,ZKPPQEVSDCIVOB-UHFFFAOYSA-N
-34F0C16676AB1711_E3EDEE1563806968_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,KLXLINZMXAWGBV-UHFFFAOYSA-N
-3561045CB00F07F9_31A1AD1D11A9803F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3(ON=C(C)C3)C)=O,VNUGXGQBQOJXOB-MBIQTGHCSA-N
-3580405D7BD1FE9F_9CA88FDF59B672B5_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(C)[N]2CC=C)(=O)=O,YHXYYHJGLCNEMH-UHFFFAOYSA-N
-35DA3096842824DB_F79B91579B6A1F15_6035_UN,CC(OC2=CC=C(B1OC(CN(C)CC(O1)=O)=O)C=C2)C=C,FFGZHWPPQCIWFZ-UHFFFAOYSA-N
-36415542B88404AA_D24B6318671548E5_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC2=NC=C(N(C)C)C=N2)N3CCOC3=O,FGOMSKPIKOHQNI-UHFFFAOYSA-N
-37F3547CCA07DED8_E9D8AE07ACF59E76_6034_UN,C1CC(CO1)C3=NC2=C(C=CC=C2)N3CC4=C(C=C(C)C=C4C)C,XRFYMJNQDSDDOV-UHFFFAOYSA-N
-38BC61FF331166EC_7BF41E17157F496A_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(OCC)C=CC=C2F,UYTJDBHFEUYLIH-UHFFFAOYSA-N
-39085BBA1A376A10_2D664BD50825AC9E_6029_UN,N(CCC1=CC(=CC=C1)O)[S](C3=CC=C(C2(F)CCOCC2)C=C3)(=O)=O,PTMNLZMRUNWCAD-UHFFFAOYSA-N
-3C1215080F256D05_4E8CE3BE0986297B_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(CCC)C=CC=C3)(=O)=O,MVSAWYBXTJWMPD-UHFFFAOYSA-N
-3CAEBAC1D170225B_C1749A3D852AAF98_6028_UN,N(C1=CC(=CC=C1)B(O)O)[S](C2=NN=C([N]2CC)C3CC3)(=O)=O,QKLLHIJJAXYHFR-UHFFFAOYSA-N
-3CAF6EFAF8E824F9_0BA218BC0CD0B07D_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2CCOC3=C2C=CC=C3,YWTPSASLXCYDSJ-UHFFFAOYSA-N
-3F6443EDD9D91CD6_C145C59B7A0AF7F5_6004_UN,C1(=CSC=C1C2CCC2=O)C3=CC=C(C(C)(C)C)C=C3,NQERWUYXOKWNBL-UHFFFAOYSA-N
-442E9FB9DA5C80A1_257135A394C001E4_6041_DP,OC(=O)C1=CSC(=N1)C2=CC=C(C=C2)N[C@@H](CO)C(=O)O,WAOGLGKRGGYNFO-VIFPVBQESA-N
-442E9FB9DA5C80A1_7E1D7BF6586B8D66_6041_DP,OC(=O)C1=CSC(=N1)C2=CC=C(C=C2)N[C@@H](CO)C(=O)O,WAOGLGKRGGYNFO-VIFPVBQESA-N
-450343ECD2B045B8_41D745938383B87B_6034_UN,O=[N](=O)C1=CN=C(I)N1CC3CCN(C2=CC=C(CN)C=C2)CC3,SWVYNCZMCRZYBR-UHFFFAOYSA-N
-469BA9F5099631A6_9B5FA38FB8668F6A_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NCC(C)C4=NC3=C(C=CC=C3)S4,IKYAZIHWNVNJJQ-UHFFFAOYSA-N
-48BA538D97278AFF_FE44316E25F51E4E_6029_UN,N(C1(CCC1)C#C)[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O,MWSSEQYOCNTUQR-UHFFFAOYSA-N
-4BAB2686372CE69D_688C3560A2529F8D_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(F)C=CC=C3)(=O)=O,HWROTWVCXHZXHN-HOCLYGCPSA-N
-4C64CB7377A9F269_58F29882E5B795E2_6041_UN,CN(C)C1=NC3=C(C(=N1)N[C@H]2CC(OC2)=O)C=CC=C3,QZNOWUQGLGXRFY-VIFPVBQESA-N
-4E9B79A2E9007E71_F0CC655759EC4329_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3C(=C(C)CCC3)C,DXKDLPGAHVHVFS-UHFFFAOYSA-N
-4F91FC8AD94807C5_26E43F7339A6F4E5_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3=C(CC)C=CC=C3,YCRYKVDGWOUWRD-UHFFFAOYSA-N
-50AECA88741BF33D_F462430FDA2BEF36_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(=O)CC3=NN=N[NH]3,WMEQOWIWRCOWGP-GFCCVEGCSA-N
-51D936B541CEA6C6_643607A61E12FD83_6028_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,AONABEFGCWCZID-UHFFFAOYSA-N
-51F662D458BB2077_E57CAF4133E84453_6039_UN,O(CCC1CC(F)(F)C1)CC2=CC=C([S](Cl)(=O)=O)C=C2,GUIXIEXUQFYQOV-UHFFFAOYSA-N
-535ABB1EE9D0BC43_10E53E8C45DA5F51_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CCC[Si](C)(C)C)=O,KPZRVGVQPXJILG-UHFFFAOYSA-N
-53ED8D12F8A12EE3_FEBB0D79AB0D4C5D_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC=N[N]2CC3CC3)(=O)=O,CMUUACMTSBFRRV-UHFFFAOYSA-N
-546ED7DF3329CA3F_D84EDFCE116AC456_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(CC2=CC=C(OC)C=C2)=O,WRWTXXUFAZTFNO-LLVKDONJSA-N
-5884D6125EF3E736_B3AC7EDEF691E489_6041_UN,CCC1=CN=C(O1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,SIBYGNYWTMXEAW-ZDUSSCGKSA-N
-58EF47AE9453E9DA_CE1780186A7C9B80_6035_UN,COCC1=NOC(=N1)C(C)OC3=C2COB(O)C2=CC=C3,LPGIZVMNLQYARR-UHFFFAOYSA-N
-596E62EE9CDA8E00_C670645F03EB4573_6041_UN,C[N]1C=CC2=C1N=CN=C2N[C@H]4C3=CC=CC(=C3OCC4)C,FVXXMLAJORBDRW-CQSZACIVSA-N
-59C08D1F6B25F228_326A8813272C3796_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=NN=CC(=C4)N5CCCC5)(=O)=O,JTQHQUPHSVIWGB-UHFFFAOYSA-N
-5A2910DB69BAEABA_B21FEFD980BF3381_6035_UN,O(C(CC1=CC=C(C=C1)Br)C2CC2)C3=C(C=CC=C3)[S](=O)(=O)F,BRHXVNRGDFOKOF-UHFFFAOYSA-N
-5B4A23EE09EB80A7_E8F1E32EC6F75306_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC(=C(C=C3)C)OC)(=O)=O,HCUSVMVUNKSAJM-UHFFFAOYSA-N
-5B4E90358FC939A2_0736169785D71274_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F,PYRZHRHQXBRMMT-UHFFFAOYSA-N
-5B4E90358FC939A2_094F04E3C471C215_6041_UN,O=[N](=O)C1=C(C(=CC=C1)NC2=C(N(C)C)N=C(N=C2)N3CCOCC3)F,PYRZHRHQXBRMMT-UHFFFAOYSA-N
-5BB48C28775533DA_3A0D3CBFDC11D03F_6041_UN,CC1=NC(=NC(=C1)C)NC3CCC2=C(C=CC=C2)OC3,ZZIOSRPMCZMESN-UHFFFAOYSA-N
-5D984ECA9781CE24_734EC2CBA5F624F1_6038_UN,O(C1=C(C=CC=C1)CC2=CC=CC=C2)C(=O)C3=C(C=CC=C3)[S](=O)(=O)O,SLQFTLMTQSCYMJ-UHFFFAOYSA-N
-5F5DF65C7EE77D76_53A8C827F04DDD66_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,OXTXSDIMBOVVFR-UHFFFAOYSA-N
-614C807E621F487C_0B1B6E5DA64FCC41_6038_DP,N1CCN(CC1)C2=CC=C(C=C2)NC(C[Si](C)(C)C)=O,CIMJNGRSNPDWNI-UHFFFAOYSA-N
-62A206B68C0E79E3_DDF747D2B5800E3F_6003_UN,CC2(C)CCC(C)(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)CC2,IRGYJUPAHZCWOU-UHFFFAOYSA-N
-63335CD0C2B74D2F_0A2ED05F03C9B78D_6041_UN,CC4CC1=C(C=CC(=C1)NC3C2=CC=CC(=C2OCC3)CC)O4,NCTNYRBTQURJDF-UHFFFAOYSA-N
-63B13F6CA0CE16DC_DF14C856A9D8C397_7019_UN,C(C1CCCCC12CCC2)=CC3CCC(C(C)(C)C)CC3,SLEFVBWINRGPII-UHFFFAOYSA-N
-66722ECB56780E4E_17E5959483AA991A_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NCC3(N(C)C)CCSC3,QAEOAKWHTMXRGA-UHFFFAOYSA-N
-6699416FB0F1CA9D_57E1AB288BF1F188_6029_UN,N(CCC1=CCCCCC1)[S](C2=CC=C(C(CC)(F)F)C=C2)(=O)=O,KWAPZRRKSWURSK-UHFFFAOYSA-N
-66DE8534376225FA_9244ED033642CBEE_6035_UN,CC3=CC(OC1=C(C=C(C=C1)[N](=O)=O)[N]2C=NN=N2)CC(C)(C)C3,WYPBNGUBIORCLV-UHFFFAOYSA-N
-67F4CFC816C5823A_D26F566D0B889E8D_6029_UN,N(C1CC=CC1)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,ZJIZISLPBJCJCB-UHFFFAOYSA-N
-6B95D3B3B184202B_81C298543E72F325_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCC3(C[S](C)(=O)=O)CCOCC3,QLJLILXVGXCIHK-UHFFFAOYSA-N
-7036816B44E40B1C_BA840BBFC45A02A9_6038_DP,N1CCN(CC1)C2=CC=C(C=C2)NC(CCC[Si](C)(C)C)=O,QAJHBYWGUIRFRS-UHFFFAOYSA-N
-7074567412AA9F28_29C52D81E55FAA9D_6041_UN,OC(=O)CC1=CC3=C(C(=C1)NC2=C(C)[N](N=C2)C[Si](C)(C)C)OCCO3,WRCMJNIYYFSIHN-UHFFFAOYSA-N
-7298631897D097C7_B606E9B88199AB4B_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC=CC(=C3)CSC)(=O)=O,NMYIKMMUVTWZPD-UHFFFAOYSA-N
-72FB6C2622BE5B36_7E94AF66EAC6EC58_6003_UN,O(C1(CCC(F)(F)CC1)C#C)C2=CC=CC=C2[S](C)(=O)=O,PUSMVOOMMJXMAD-UHFFFAOYSA-N
-73245EB301672880_8091BB27F66EFE31_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NN=C([N]2CC(C)=C)C3=CC=CC=C3)(=O)=O,SZAYAECPYKRBEP-UHFFFAOYSA-N
-739FACAD085EB92B_80387D99C8957A4B_6038_DP,N(C1=CC=C(C=C1)N2N=NNC2=O)C(C3C[Si](CN3)(C)C)=O,XNHDGLLBFDRAAD-UHFFFAOYSA-N
-748E99D822C50479_A6B7DD39D838F5C3_6041_UN,CC1=NC(=C(C(=N1)C)C)NC3C2=CC=CC(=C2OCC3)C,HXTKWVAQNFFOSZ-UHFFFAOYSA-N
-77A01B193A943A60_DC5BB0CF04F9E419_6035_UN,COC[C@@H](OC2=CC=C(C1=N[N](C)C=N1)C=C2)C[N]3C=CN=C3[N](=O)=O,FWGANQLBMQYRLY-AWEZNQCLSA-N
-77DB9523B28525C3_10819999D95E687A_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)CCCl)C(=O)[CH]=[C]2CC[CH2]CC2,ONDQKOIQQMDNCF-UHFFFAOYSA-N
-7B3746B3480CFECB_A1B381C22BEEBE3A_6038_UN,CN1C(NN=C1CNC(C(CC)[N]2N=C(N=N2)C3=CSC=C3)=O)=O,KYMSSRNKRJDVNY-UHFFFAOYSA-N
-7C59C9DD6B47FD25_937EC02085ECEC19_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)N[C@@H]3C(OCC3)=O,QXAFOCAQHISJPS-JTQLQIEISA-N
-7D390B4169CBF8F0_A7DDABC89B689FA7_6041_UN,CN4CCC1=C(C(=NC=N1)NC3C2=CC=CC(=C2OCC3)C)C4,KYJRLQAHKFKTDZ-UHFFFAOYSA-N
-7E21EC078B081166_403E0367210B5298_6039_UN,O(CCC1CC(F)(F)C1)CC2=CC=C([S](F)(=O)=O)C=C2,TTXHKFAYBAJIOM-UHFFFAOYSA-N
-80D6DC9C320A6EA2_2E9C556AD6BBBE27_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=CC(=C2CBr)C)(=O)=O,HDSOXVCBADNRAM-UHFFFAOYSA-N
-844E403955343C7F_11CF41AFC73AC781_2875_UN,CC(=O)C1=CC(=CC=C1)C[N]2N=NC(=C2)C3CCOCC3,VSPSBSOOQIUVIW-UHFFFAOYSA-N
-84A7B2B3EE5346C7_F6EB8D0D7F50C229_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC=C(COC)C=C2)=O,JBLDXFMDRSGKEC-UHFFFAOYSA-N
-86B164073F455860_054C7B231F294F24_6027_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,MZKXFMLLZDBXPB-UHFFFAOYSA-N
-880CFD1144E8F506_D44E829F925300C9_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=CC=CC(=C2)C=NO)(=O)=O,JNYBWTUMFXJGPB-UHFFFAOYSA-N
-8BDC61F959789658_DC72225575738AC3_6035_UN,COCC4CC(OC3=CC1=C(C(C(=C(C)O1)C2=CC=CC=C2)=O)C=C3)C4,HZUHZFWKVBUXSQ-UHFFFAOYSA-N
-8C6BD3BE29906D67_0D937F39F575E191_6038_UN,CCC(NC(C2=NOC(C1=CC=C(C)C=C1)C2)=O)C3=NN=N[NH]3,SJIKTIMOLMYYGO-UHFFFAOYSA-N
-8E89FD3B2DAC783B_75189DD3A8A44C81_6035_UN,O(C1CC2CCC(C1)[S]2(=O)=O)C3=C(C=C(N)C=C3)C5=NC4=C(C=CC=C4)S5,KNDCAWBNXKABTH-UHFFFAOYSA-N
-8ED91AD9591B5827_C5D9357CBA1E7B41_6028_UN,N(C(CC1=CC=CC=C1)C2CCCC2)[S](C3=C(OC)C=CC=C3)(=O)=O,TVWAHKXNJGNYTJ-UHFFFAOYSA-N
-91ABA26164DBF9D4_9DB71EA6121B097A_6006_DP,CN(C1CCNCC1)C2=NC(=CN=C2)C3=CC=C([Si](C)(C)C)C=C3,OOBXVZONVRQDLQ-UHFFFAOYSA-N
-9301119B17EE0158_DE91F966CBBCCD71_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC=C(C=C2)OCC=C,RJRWSOMXRMPJNY-UHFFFAOYSA-N
-930B2ADB8F42D0EB_5A5E0965176B3CE1_6041_UN,COC1=C(C(=NC=N1)NC2=C(C)C=CC(=C2)N3CCOC3=O)[N](=O)=O,CJWBWNACCJOUAB-UHFFFAOYSA-N
-959725D2F2DE018F_F3F6570EB60CD506_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C2=NN=C(C(C)C)[N]2CC3=CC=CO3)(=O)=O,VOFZGDCPSQDZIM-UHFFFAOYSA-N
-95BB51DC1E1FA0D7_71F15D7E224CCDDC_7022_UN,C1(=CC2=C(C=C1)CCO2)NC4C3=C(C(=C(C)C=C3)C)OC4,OWPYIQSCAPGKJP-UHFFFAOYSA-N
-962FCB86F8E83A58_95593EA26F95D5C3_6041_UN,COC(C#N)C1=C(C=CC=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,BXLBRVLOSZSFFS-HJHQOWQESA-N
-962FCB86F8E83A58_DE30B5ADFBD83500_6041_UN,COC(C#N)C1=C(C=CC=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,BXLBRVLOSZSFFS-HJHQOWQESA-N
-976FF36AE27DEC7B_07B6CD5F34EF5C17_6041_UN,CC1=NN=C([N]1C)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,USFIZVFCPDAPTJ-GFCCVEGCSA-N
-99683D87CA683938_86E9A9BD33A734D5_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=[N](=O)C=CC=C3)(=O)=O,APSRGJGNPGNDSR-UHFFFAOYSA-N
-9D79E6A1E7186606_DC78406B1378B48A_6029_UN,N(C(CC1=CC=CC=C1)CC2=CC=CC=C2)[S](C4=C([C@@H]3C[C@H]3[S](Cl)(=O)=O)C=CC=C4)(=O)=O,YJHWLVHPXAQGMN-LADGPHEKSA-N
-9E1657AD9EEA8CF8_4B30BEDCB3A4AA24_6041_UN,CC1=NN=C([N]1C)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,USFIZVFCPDAPTJ-LBPRGKRZSA-N
-9E34ECD540AE3FF6_AB8AAF0C4619A6F2_6038_UN,N(C1C2=C([S](CC1)(=N)=O)C=CC(=C2)F)C(C=C3CN(C)CC3)=O,KVRIDWMKGHDGIU-UHFFFAOYSA-N
-9F9C322663851AFD_F72703748364527C_6041_UN,CC1=NC(=NC(=C1)C)NC3C2=CC=CC(=C2OCC3)C,XATDHGFTQSMNSN-UHFFFAOYSA-N
-A17C840E511DE4C6_DD08E1735DEDFD76_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)N[C@H]3CCOC4=C3C=C(CC)C=C4,ZIHOTBPSGDSYTI-FQEVSTJZSA-N
-A31B2194DB98BA96_50A134985B36161D_6029_UN,OC1(CCN(CCC1)[S](C2=C(P(Cl)Cl)C=CC=C2)(=O)=O)C3=CC=CC=C3,FMZOGEBSEKYKBA-UHFFFAOYSA-N
-A43E801424019A88_C50BAF923B1A2EE1_7019_UN,C(C1C2CCCCCC12)=CC3CCC(C(C)(C)C)CC3,CPFKSBDEYMEPAJ-UHFFFAOYSA-N
-A44466CDA1262B0B_464F2C7D73DFB971_6029_UN,N(C1=CC=C(C=C1)C2CCC2)[S](C3=C(C)C=CC=C3C)(=O)=O,PUOBJMJDWKINEW-UHFFFAOYSA-N
-A4AD4ADF64B444F3_567F0E1CD47ECC93_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=CC(=C3C=CC=CC3=N4)C)(=O)=O)C,OAIRPZICZKKXSI-UHFFFAOYSA-N
-A548B175F8ECF6B7_8A07A6042FB9A2CF_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(C)=O)[NH]N=C3)(=O)=O,GJAYUAVYZCEJKU-UHFFFAOYSA-N
-A5823B09F0CA9C0D_20374B5ECFB65A8C_6029_DP,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=N[N]3CCNCC3=N4)(=O)=O,LIWUUCKXVFCSOT-UHFFFAOYSA-N
-A625E6C06A3C4474_4E13DDD870EACA8E_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC=CC(=C2)C#CCOC,IXJAPBCKWYBCBT-UHFFFAOYSA-N
-A69273E1FCF28778_8E33B3F5FAFB0B9C_7013_DP,CC1=CC3=C(C=C1C)[N](C2=CC=CC=C2)C(=N3)C4CC(C)CN4,NKWSRRNPTXFOQD-UHFFFAOYSA-N
-A752224392350BF1_45D984A416A631A9_6029_UN,C1CN(CCN1[S](C2=CC(=C(C=C2)I)[N](=O)=O)(=O)=O)C3=NN=C(C=C3)[N]4C=CC=N4,MJKLMEWQIPYUGA-UHFFFAOYSA-N
-A8D0EEEC2DB4225F_2A702E747907AEA5_7019_UN,C(C2CCCC1(CC1)C2)=CC3CCC(C(C)(C)C)CC3,BRTJPAUXLKHUEX-UHFFFAOYSA-N
-A92E12E7CA5A8E67_1011FA93A1CF2463_6038_UN,C[N]1C3=C(N=C1C2CC2)C=C(C=C3)CNC(C4=C(C)OCC4)=O,JYQSMKRZBAMOLA-UHFFFAOYSA-N
-A9A29096721F4DC9_04A4333D4EEAF750_7022_UN,C1(=CC(=CC=C1)OCC2=CC=CC=C2)OC3=CC=C(C=C3)O[S](=O)(=O)O,BOQKPMHPDWSQBP-UHFFFAOYSA-N
-A9BAB837FF243547_23165553EC241D5A_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=CO2)C(C3=NOC(=C3)COC)=O,OEKTWJLGQYWBES-UHFFFAOYSA-N
-AAEFD57FF0A77179_3FF7A5BA24DEE9B4_6029_UN,N(C1=C(C=CC(=C1)OC2=CC=CC=C2)O)[S](C3=CC(=CC=C3)I)(=O)=O,OVHJSLRETPKGRN-UHFFFAOYSA-N
-ACE39906BF8185D4_522F054A88A81B5D_2267_UN,C(#CCNC1=NC=CS1)C(B2OC(CN(C)CC(O2)=O)=O)=C,IVOVGWPPRNRRAM-UHFFFAOYSA-N
-ACEC31C7312EF013_B7102331AF516F98_6035_UN,CC2(OC1=CC=C([S](C)(=N)=O)C=C1)CCC(F)(F)CC2,HCDSNFJIVNPSAA-UHFFFAOYSA-N
-AFCD498F3B0A8C8E_ACAA32FC0415E413_6028_UN,N(CC1(CC1)C#C)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,AOIPTXAUXJFOND-UHFFFAOYSA-N
-B029C952390C6391_2DA4917B9816CA9F_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NCC3=NN(C)C(C3)=O,KWNQZAFBCUYQTH-UHFFFAOYSA-N
-B0AAD24467471AB3_79EB8FF455F52101_6041_UN,C[N]1C(=NN=C1C2=CC=CC=C2)NC4C3=CC=CC(=C3OCC4)C,AVHSNNOATRKXFY-UHFFFAOYSA-N
-B0B8FEA50E17E244_F44BC8FC029020C3_6038_UN,N(CCS[S](=O)(=O)O)C(C2=C(C1=N[N](C)C=C1)[NH]N=C2)=O,CIUAXBNAEPJTMO-UHFFFAOYSA-N
-B0D6BA584DDB6B25_39CDB9BD6DD58C62_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC#CC3=CC=C(C=C3)Cl,OQRRURWEIPCRDW-UHFFFAOYSA-N
-B2A3582A9ADBAEA2_DAF6739E256AC131_7013_DP,CC1=CC3=C(C=C1C)[N](C2=CC=CC=C2)C(=N3)C4NCCC4C,HWFPLTGXJNUDBY-UHFFFAOYSA-N
-B467086B4333CE6F_40AB64D0DBFA8309_6034_UN,ClC3=C(C=NN(C2=NC1=C(C=CC=C1)N2CC(C)(C)Br)C3=O)N4CCNCC4,BSJXDDIMFVJBPT-UHFFFAOYSA-N
-B5C7E0EF8D8ECFCD_9017B0F866CC7F98_7019_UN,CC2CCC(CC=CC1CCC(C(C)(C)C)CC1)CC2,WTZLRKDROKALSG-UHFFFAOYSA-N
-B630FE6DDE6BF115_8C0E267247ACDA76_6039_UN,O(C1CCC(F)(F)CC1)CC2=CC=C(O[S](F)(=O)=O)C=C2,IKRPICCHHOFASF-UHFFFAOYSA-N
-B680045712816CEE_DDCDC2B41C44B32A_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3C(C)N(CC3)C)C,OTHRUXAOIUTDAC-UHFFFAOYSA-N
-B8B039F5E953893C_B3BCFE06F1B7DEE7_6038_UN,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[S](=O)(=O)O,BVRGNKKWEWOJFL-UHFFFAOYSA-N
-B910B29D7A59A2F7_3138CD238A5EC769_2875_UN,COC1=C(C=CC=C1)[C@@H](O)C[N]2N=NC(=C2)C(NC)=O,ZXLMDAOCJXJNAS-NSHDSACASA-N
-BAEB68F52643F851_DB9FEBF87C076485_6038_UN,N(C1=C(C(=CC=C1)F)C#N)C(C3=C(N(C)C2=NN=N[N]2C3)C)=O,ZVYRYVFFMPLPJT-UHFFFAOYSA-N
-BB3AE2483E94E0FC_408A8936CD87F65F_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@H]3CCOC4=C3C=C(CC)C=C4,ROYSDWNHJSBETE-FQEVSTJZSA-N
-BD0218E2C0C2928B_A6CD96DA522FC735_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=C(OC3=CC(=NC=N3)Cl)C=CC=C4)(=O)=O,UERUGMXYTZFQGL-UHFFFAOYSA-N
-BD799135305F29E0_F3785DDE4FB20A57_6028_UN,N([C@@H]1C[C@@H](C1)OC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,PHQYXLQJLWNVHL-WOVMCDHWSA-N
-BE05E0996183DAA0_EA151370266D1F25_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(OC)C=CC(=C3)I)(=O)=O,ABXQCEZENJSHEJ-UHFFFAOYSA-N
-BE668ABA7F87D834_97C659A7F38E61B9_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CCC[Si](C)(C)C)=O,YPJCGHZZIPYXDF-UHFFFAOYSA-N
-BF90782FAFA26B28_46F0F056B6EFFC4E_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,LPWBDUNBFPUTMY-HXUWFJFHSA-N
-C1A5B7A5863C6243_08BF42D27A8C3E2E_6038_DP,N1CCN(CC1)C2=C(C=CC=C2)NC(CCC[Si](C)(C)C)=O,GWKIYYCTYVJAHS-UHFFFAOYSA-N
-C30BBC295BAE9F3C_ED8526ADB66FCC50_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=C(C=C(OC)C=C3)C)(=O)=O,BYPHSYAQAJPZMN-UHFFFAOYSA-N
-C3BA6B75DA614ACA_CDA6AA1ACF461958_7013_DP,CC1(CCCC1)[N]3C2=CC=CC=C2N=C3[C@@H]4C[C@H](CN4)F,VWBXVSZYVNODEP-OCCSQVGLSA-N
-C4991F574BDD65F4_F8BCBCC1BE1F2858_6041_UN,CC1=C(N=C(N=C1)N[C@H]2C3=C(O[C@H](C)C2)C=CC=C3)C,XPXOWNCEDSZDRY-BXUZGUMPSA-N
-C566E0C1E1A104DA_64E0A3A0CAD322E9_6041_UN,O=[N](=O)C1=CC(=C(N=C1)F)NCC3=CN=C(N2CCCN(C)CC2)C=C3,OWUXIXWZUYCAQF-UHFFFAOYSA-N
-C6B25AE01326161E_08DE0D7774128C54_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H]3[C@H](COC)CC3,CVFVCNBYTUQLHF-WCQYABFASA-N
-C7BFF9C3F74E1F10_DA7225CB6982102E_6034_UN,C1CC(CC=C1)C3=NC2=C(C=CC=C2)N3CC4=C(C=C(C)C=C4C)C,HQFGGFONNKSNLK-UHFFFAOYSA-N
-C88B3F288480A349_885578DF29331C5A_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3=C(CC)C=CC=C3,IJTMHGSEJYCGFO-UHFFFAOYSA-N
-C8943CF16E3C36FD_CE830414A601E59A_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=N[N]3CC=C)(=O)=O,PGLSAAYACIBBEE-UHFFFAOYSA-N
-C89AE94ABDEBBB0B_427F60B7FDA87616_7019_UN,C(CC1CCCCCC1)=CC2CCC(C(C)(C)C)CC2,BSTWMFGHOPPTQX-UHFFFAOYSA-N
-C94862F8A674CFB5_25B99B196366CFDF_6038_UN,CC2=C(OC(CC1=C(C(N)=O)C=CC=C1)=O)C(=O)OC2,RKMSRGBJBKDYSF-UHFFFAOYSA-N
-CAD106B36FE2FD9D_2E6A91EC56A608C9_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)CCCl)C(=O)[CH]=[C]2C[CH2]C2,SVFRBRCVXWXVDB-UHFFFAOYSA-N
-CB14EC78BD43DE43_F72E053AF2377110_6029_UN,N(CCC1=CCCCC1)[S](C2=C(C=C(OC)C=C2)C)(=O)=O,RBGSOGNGQLVYHK-UHFFFAOYSA-N
-CC3E830940829844_5B2CA08FE8317603_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC3=C(C=C2OCOC2=C3)Cl,GDOJTTSFNCLNNB-UHFFFAOYSA-N
-CD43ADBA2C8F543F_00EDF26BEB25BFCF_2875_UN,O[C@@H](C[N]1N=NC(=C1)CCNC(C)=O)CC2=CC=CC=C2,SMGQVOIYAZIKHL-OAHLLOKOSA-N
-CD837F9664264753_D03DDFB298CC14E1_6027_UN,N(CC1(CCC1)C2CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,KGCAYRYJBNYDCX-UHFFFAOYSA-N
-D08F952870A7E553_B09E2C154A1FF84A_6028_UN,C1C(C1)C4=NOC2(CN(C2)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O)C4,GPQTYGPYNRNHGG-ZDUSSCGKSA-N
-D0E75DF37F98E290_325B3D09460D8BA1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(OC)C=CC(=C2)C)=O,NUTROYSFVRXRGS-JTQLQIEISA-N
-D15001CFA27A9FD7_0605AA6B6D07058D_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=CC=[N](C=C2)=O)[N]3C4CCCC4,RHJJCTFGGIMQDD-UHFFFAOYSA-N
-D46BA102707C35BC_25CCC9DA3BE34134_6038_UN,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C3=C(C=CC=C3)[S](=O)(=O)O,DDXNJUCAYSBEHD-UHFFFAOYSA-N
-D58F840CC9761CFD_5B097E62DAD0E9A2_6041_UN,CCN(C)C1=NC=C(C=C1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,HYDNTOAEZCEPID-MRXNPFEDSA-N
-DABC1FCBB953BA6D_03FC19FE72E10A20_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N4CC(OC3=C[N](C)N=C3)C4,UHSDMCZUHHWPPS-UHFFFAOYSA-N
-DADECBB43D2823A7_D22B92EA16AB82B2_6041_UN,CC4CC1=C(C(=CC=C1)NC3C2=CC=CC(=C2OCC3)CC)O4,BGTDPILCJKQURC-UHFFFAOYSA-N
-DAF5D2D42DB7807C_84DB0F5BC32D742A_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)CSC)(=O)=O,FGCLSSCZIOPZCM-UHFFFAOYSA-N
-DB5A0FE214ECBD88_711A63394CFD9026_6026_UN,[S](=O)(=O)(C2=C1N=CC(=C[N]1N=C2)Br)N3CC(C3)OC4=NC=CC=N4,GECFZMHGUUTLBA-UHFFFAOYSA-N
-DD5FBDFE094A802E_0D8B2DADDC5B9557_6004_DP,CN(C1CCNCC1)C2=NC=C(N=C2)C3=CC=C([Si](C)(C)C)C=C3,ZZPJBUQHWRWLSG-UHFFFAOYSA-N
-DE88F938E30B1470_6DDCCE758C1F1E38_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=C(C)[N](C(=C4)C)C,SMLGEHFPEMTAJQ-UHFFFAOYSA-N
-DFCEC2583E0C2E9C_E8DFD5B74F9F178F_6041_UN,CN4CCC1=C(C(=NC=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3)C4,KMKNTXBVAPOPPR-QGZVFWFLSA-N
-E28F3D51CDFF27E6_70FD852D00C6F0A7_6026_UN,FC2=C1N=CC(=CC1=C(C=C2)[S](=O)(=O)N(C(C)C3=CC4=C(C=C3)OCCCO4)C5CC5)I,OFHYCNANDQBOTR-UHFFFAOYSA-N
-E3F2CBB50B640AE0_6C48FDA24D8FAC98_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C3=CN=C(NC(C)=O)O3)=O,QGHYGZVRQBJLBA-LBPRGKRZSA-N
-E7185D62350A75F8_C3F8EF8AAE3F58D9_6028_UN,N(CC1CC(C1)=C2CCC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,PBBSUPMXTFKARO-UHFFFAOYSA-N
-E72632296A3E79FA_658E77C16B1A7C4D_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=C([N]3C)C4=CC=CC=C4)(=O)=O)C,MTERJUQYGRAUTQ-UHFFFAOYSA-N
-EBB60D15820FF7D3_ECA7E6C9A4F12A8E_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(CC2)N)CC4=C(C=C3OCOC3=C4)Cl,AHDLGAJUWVJMAU-UHFFFAOYSA-N
-ECB2E3D7173DF510_D9B481192EC0951B_6036_UN,CC3=CN1C(=NCC(C1)N(C)[S](=O)(=O)C2=CC=C(C=C2)I)C=C3,JQPSZSCTPNWOSF-UHFFFAOYSA-N
-EDAB9F17176EFD88_FDB3F725BD440192_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC3=C(CC(C)(C)CC3)C#N,BWZLGQMSTIVTTC-UHFFFAOYSA-N
-EDD2F84984DDB2DA_7229E8DE68708D34_6041_DP,OC(=O)CSC1=NC(=NO1)C2=CC(=CC=C2)N[C@H](CO)C(=O)O,QPAIPKPUPUTHOZ-SECBINFHSA-N
-EEAFB52B2F110B0A_AE6EC045F505A8B3_6028_UN,N(CCC1=CCCCCC1)[S](C2=CC=C(COC)C=C2)(=O)=O,LIVLYDFXIPVMRM-UHFFFAOYSA-N
-EF4CDD23E76D07E4_0AAEBBC1D4A35A3D_6026_UN,[S](=O)(=O)(C1=CC(=C(C=C1)Br)C#N)N2CC(C2)OC3=NC=CC=N3,QHIWJNOYNBLXPO-UHFFFAOYSA-N
-F0AC3D10D44FCE32_1F0E4AAD04468C42_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C([C@H](OC)C2=CC=CC=C2)=O,GVMKIYYSYWJMBR-CMPLNLGQSA-N
-F25E9BABE74E451C_2160B082623A3AEA_6041_UN,C1(=NN=C2CCCCC[N]12)NC3CN(C)C4(C3)CCCC4,OBKLYYMSGZJHFU-UHFFFAOYSA-N
-F5D2F82CB2F07364_8CBE98A98AEB952A_2875_DP,N1CC(C1)([N]2N=NC(=C2)C3CN(C)CC3)C4=CC=C(C=C4)Br,HBZFNUGFUJCSNT-UHFFFAOYSA-N
-F7F1569A7A5DD511_57C1A99A646CD704_6029_UN,BrC1C2(C1)CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O,MLXHROQDCYLOFT-UHFFFAOYSA-N
-FAC6B58FC5035297_0B81EEE163308FE4_6041_UN,C1(=CC(=CC=C1)C2CC(=O)C2)N[C@H]3CCOC4=C3C=C(CC)C=C4,GAUXGHWPWXQREK-FQEVSTJZSA-N
-FAD602014E0DDC06_0804146594E39077_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC4(CCl)CN(CC3=CC=CC=C3)C4,CAUACEHIYDHAGD-UHFFFAOYSA-N
-FAE738350F2FBBB9_E2355708CCD0CCD3_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C(=C(C=C3Cl)Cl)Cl)[S](=O)(=O)Cl,PRUJKCHVRJHECY-UHFFFAOYSA-N
-FC565C2ED87D9B40_2D01ADA23EE82DE5_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=COC=C3,BQEVVIWWIFKSDT-UHFFFAOYSA-N
-FC7D6BA5B3A23021_37C3D1BAF0A2B74A_6029_UN,FC1(CN(C1)[S](C3=CC2=C(OCC2(C)C)C=C3)(=O)=O)C#C,HTSIAEVRBPGIPI-UHFFFAOYSA-N
-FDBBBEDB89AA4086_56A8AF094359541F_6041_UN,CC4CC1=C(C=CC(=C1)NC3C2=C(C(=C(C)C=C2)C)OC3)O4,OITMSYIQXUPHPI-UHFFFAOYSA-N
-FE4DE03D07086FA9_8B6BE7CD8CBF691D_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CC=CC(=C3)COC)=O,UGELIVLDXNABBY-UHFFFAOYSA-N
-FEDB829050BC08E8_D558875E8B3C1A72_6038_UN,OB1OCC2=C(C=CC=C12)OC(C4=NC3=C(CC)C=N[N]3C=C4)=O,YBUQRAONWUFOJO-UHFFFAOYSA-N
-FF331394A8F14CCE_F5AA3E95858EAFB6_6038_DP,N(C1=CC=C(C=C1)C3=NC2=C(C=CC=C2)S3)C([C@@H]4C[C@H]4O)=O,CPMFWMOKZGPQLW-TZMCWYRMSA-N
-FF4D7CC58780BF76_70391415C7D36061_7015_UN,N([C@@H]1C[C@H](C1)OC2=CC=CC=C2)[S](C3=CC(=C(C)C=C3)C)(=O)=O,PHQYXLQJLWNVHL-JCNLHEQBSA-N
-00080EF024F259DF_3701893629E1D750_6038_UN,CCC(CC)C(CNC(C1=C(COC)C=CO1)=O)N(C)C,SHUHWFWPTYVDDA-UHFFFAOYSA-N
-009D7C2D867857C6_EB456A2216D3B24B_6029_UN,OC(=O)C#CC1CN(C1)[S](C2=CC=CC(=C2)OCC(C)=C)(=O)=O,CXURLXAYENNECN-UHFFFAOYSA-N
-00E1FB80DBADD78F_026DCBA856C5483D_6038_UN,N(C1=C(C(=C(C=C1)Br)Cl)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,LPZVQQYYJMWWNO-UHFFFAOYSA-N
-0218580025B0E40D_024D7E0EE4384C0F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CC(=NO2)C3=CN=CC=C3,BNUYKIYYPYTDEQ-UHFFFAOYSA-N
-03D9DE8FF4695F23_130721DF44C4821E_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC2=CC=CC(=C2)C3=C(OC)C=CC=C3,PWOPQZXLTYKGBN-HXUWFJFHSA-N
-03EBE5EFFE40ABD1_FAB000CE54C31240_6038_UN,COC1=CC(=CC=C1)N3CC(NC(C2(C)COC(=O)OC2)=O)CC3=O,CMKZZZAHQBFFQN-UHFFFAOYSA-N
-08700EB73B3F4323_1554690FE796DF67_6038_DP,N(C2=C1C=CC=CC1=NC=C2C#N)C([C@@H]3CC(CN3)(C)C)=O,LENOZYJQZHMSOF-AWEZNQCLSA-N
-08FF819189CBC356_F243F20AD894D4AE_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@H](CC)COC,FSSLFHCARHXYSA-SNVBAGLBSA-N
-0B49CE32F543550D_05C3BBF9D2751981_6029_UN,N(C1(CCC1)C2CCC2)[S](C4=CC=C(OC3=CC=C(OC)C=C3)C=C4)(=O)=O,JRUFSIPVWMWRHH-UHFFFAOYSA-N
-0C8D01336CE19748_7B47009101F09329_6031_DP,N2CC(=C(F)C(=O)OCC1=C(CCN(C)C)C=CC=C1)C2,VASHGLMFTHTQMS-UHFFFAOYSA-N
-1339C0C45A78D8D6_A7E51769E0A2709F_6038_UN,CCCCC(=O)C1=C(C=CC(=C1)NC(C2=N[NH]C(=C2)CCCCC)=O)F,DWBSXTLGFBJQOQ-UHFFFAOYSA-N
-15BFB453096761E0_EDAAA4A636E69F6D_6035_UN,O(C1(CCCCC1)C2=CC=C(C=C2)F)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,SATZNESAHFSBIW-UHFFFAOYSA-N
-1618866F8206D933_D5AE49BF657EF614_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C(=CC=C3)Br)[N](=O)=O,UVOJKVWGIKPEJW-UHFFFAOYSA-N
-185B78DF9E1C5AFC_AF4E9637DD3EC5F8_6031_UN,CCC(CN(C)C)CC(=O)OCC2C(C1=CC=C(OC)C=C1)N(C(C2)=O)C,TXSOGMUAKVUDNQ-UHFFFAOYSA-N
-1B6FF35AF6294F1F_3B33535F1C1CBDC4_6039_UN,C[C@@H](COCC1=C(C(OCC)=O)CNC(N1)=O)N(C)C,LQAAYBIRABFSRE-VIFPVBQESA-N
-1BE8528F0A514009_313A1F8846F44EF1_6041_UN,FC1=CC(=CC(=C1)NC(C2=NN=C(C(CC)C)[NH]2)C)C3(CC3)C#N,XEZXBGXNSHVFPU-UHFFFAOYSA-N
-1C1450841A848209_0404082DD144AC13_6029_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=C[N]([C@H]2CNOC2)N=C3)(=O)=O,OXRZXFASTKVPHS-VIFPVBQESA-N
-1E0B8130728D4A35_93D5ACE5ABB6397F_6038_UN,C[Si](C)(C)C#CCCNC(C2(C1=CC=N[N]1C)CC2)=O,MLMKNWPCAMRANA-UHFFFAOYSA-N
-1ECEEB36AB527A83_565464497A5BEDA2_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=C(CCC3(C)C)C#N,DFCQDDYFVVKFCV-UHFFFAOYSA-N
-225991594026FEE4_AA6065B86A7C6E70_6038_UN,CC(C)C1=CC(=C(C=C1)OC(=O)C(=CC2=CC=CS2)[N]3N=NN=C3C4=CC=CC=C4)B(O)O,SYSNVYSPMPKMFG-UHFFFAOYSA-N
-2577790E984F0E27_2694546200D4EEEB_6038_UN,NC(=N)C1=CC(=C(C=C1)NC(=O)C2=CC=CN3C2=NCC3)[N](=O)=O,XSQOUSJOMPZHIY-UHFFFAOYSA-N
-28E55ECCF3D2E050_5DD7C7632700227F_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC3=C(C=C4C(=C3)CCC4)[S](=O)(=O)O,DHGOYHQCEDHPAU-UHFFFAOYSA-N
-2BA1AEF00D2B514A_98EC57FAE58C7532_6034_UN,FC(F)(F)C2=NC1=C(C=CC=C1)N2CC(NC)CC(C)(C)C,ADQURSPTEKTCDP-UHFFFAOYSA-N
-2BD98AF5A39E557C_640AA93D6F926C5A_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC(C#C)C3=CC=C(C=C3)F,QFEULCZDYNUNMK-UHFFFAOYSA-N
-2CFA7136276D0144_F544E934702F7DEA_6029_UN,CC1=CC(=CC=C1)C2(CCC2)N[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,IDXPLSJFLXZCAZ-UHFFFAOYSA-N
-2EE3471B6066BA90_356BA09EAC1DDA54_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(C)(C)CC#C,HZCOTRIURFMZFR-UHFFFAOYSA-N
-2FC6503C32CFA13D_68FBCD1FCEB6FB39_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NCC3C(C3(C)C)(C)C,LBNWXWKJFGOAFQ-UHFFFAOYSA-N
-304B191AFFC95CCA_7ACDEC3FF260EFF6_6038_UN,O(C1=C(C=C(C(=C1)F)Br)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,DERBUSYFQIKPMK-UHFFFAOYSA-N
-3072E5033649A2F9_6A83F6C0AAAF6422_6005_UN,OC(C1=CC=CC=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4,DJZWYRHRFSKZRS-UHFFFAOYSA-N
-31D326CA764FF4B9_3D8269A343AFDB89_6038_UN,CC(NC(C(CCCCCC)CC)=O)C1=N[NH]C(=C1)C,BLAKOPGNHJZBQR-UHFFFAOYSA-N
-32E69BC8BD69421A_0FF596B02D639CE2_6038_UN,COC(=O)C1=N[NH]C=C1NC(C2=C(NNC=C(C(OCC)=O)C(=O)OCC)C=CC=C2)=O,NMRNVJAHIBINHS-UHFFFAOYSA-N
-339EE710212996F5_7A13452EE567D740_6039_UN,O(C1(CCCC1)C2CO2)CC4=CC=C([S](C3=CC=C(C)C=C3)(=O)=O)C=C4,IMJSUMVNZQHPRK-UHFFFAOYSA-N
-357BA15B01656FF5_4D2212BD180D94A1_6039_DP,N3CC(OCC(NC2=C([N](=O)=O)C=C1OCOC1=C2)=O)(C3)C(F)F,YIOGJGYNIBOGHS-UHFFFAOYSA-N
-37404298AA366F6C_3C692A6B0C025467_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2(CC2)C3=NC=C(C=C3)F)[NH]4,IQMBUCLOCHWFOF-UHFFFAOYSA-N
-37BB76C68B7D6F48_C14328E5AAFB6789_6028_UN,N(CB(O)O)[S](C2=NN=C3N(CC)C(=O)C1=C(C=CC=C1)[N]23)(=O)=O,NCFQXFLJYAKXQP-UHFFFAOYSA-N
-389FE8CD051CF320_58A8D8A265556B89_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC(CF)C3=CC(=CC=C3)C#N,MFMZQFFMGDTVMK-UHFFFAOYSA-N
-39221E3EF49A5694_180C30051AF9A8F2_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2=C(CC)[N](N=C2)CCC(C)C)N3CCOC3=O,XKCJXTYNLQQXHX-UHFFFAOYSA-N
-3BFB7C8BDFDBED99_CB69A585BF5BDEAB_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2(CCC2)C3=N[NH]C(=N3)C4=CC=CS4)[NH]5,KBTGRCFUUAPHGS-UHFFFAOYSA-N
-3C12DA485F6EE315_E3580762471B6863_6038_UN,COCC(OC(C(C)(C)N1CCOC1=O)=O)C[N]2C=CN=C2[N](=O)=O,UPHHYDLBIIJNKI-UHFFFAOYSA-N
-3C2D0541114953BF_0FB18BA5B6D5F0E7_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C5=CN=C(CC4(O)COC4)C=C5)(=O)=O,MMNPOWSWNDQYII-UHFFFAOYSA-N
-47318BD954B751A1_D01FAE506BA9611A_6029_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,PXJSQFAMMWRYCH-WOVMCDHWSA-N
-4A9FDACF62B29694_B63E5A331B91AECC_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,GPCCNHKSERFHSN-CZUORRHYSA-N
-51BC02A8BAD3F1E0_D81C507F1DF4095B_6005_UN,OC(C1=CC=CC=C1)C2=C(C=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4,MMBKFOZTGQAXFU-UHFFFAOYSA-N
-51DB9B07D549E353_0F4F93605B735F4E_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC4(C3=CC=C(C(C)(C)C)C=C3)CCCC4)F,SHGDFYQAVYBZGW-UHFFFAOYSA-N
-52250F1C15729FEB_E782EB0168852784_6038_DP,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3C[Si](CN3)(C)C)=O,YCBGYSBPNALXEN-UHFFFAOYSA-N
-53B0C965ED384486_200590EF4E3E2F93_6035_UN,CC3=C(OC2=C(N1CC(C)(C)C1=O)C=C(C=C2)N)COC3=O,ZAPRATFQJXKUTC-UHFFFAOYSA-N
-558E28C4591D3586_B186F8B84F02A5CA_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NCCC3=CC=C([Si](C)(C)C)C=C3,CPLXOIPFJLBLNG-UHFFFAOYSA-N
-57BBA2B5414CEAED_637EA20F9CDF207C_6029_UN,N(CC1=C(C(=CC=C1)Cl)O)[S](C2=CC=CC(=C2)C3(C)CC3)(=O)=O,NTKVTULDDOZHOV-UHFFFAOYSA-N
-581CC5F0CB18FFDF_9C4F7F8F8B56C27D_6029_UN,N(CC1(CCC(CC1)(F)F)O)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,MXQWMYFRVALHGO-UHFFFAOYSA-N
-5996E27307DAD075_1DE4824509445AAF_6038_UN,O(C1=C(C(=CC(=C1)F)F)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,RKZQVPRXHXRYNS-UHFFFAOYSA-N
-5B34B15395B63CF5_B73212586DACC1FC_6038_UN,C[Si](C)(C)C#CC1=C(C=CC=C1)OC(=O)C2CN(C2)C3=NC=C(C=N3)F,UJUBZZLEXZAFLQ-UHFFFAOYSA-N
-5B54321993AAE7AA_F2121FA2D5EAA761_6041_UN,FC1=CC2=C(C=C1)N=CC(=C2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,XGSNPUSZOFNQTL-UHFFFAOYSA-N
-5E1471C3323F6021_81E87A6AE7BD9E7F_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,AGFSKJXFKVJIQC-UHFFFAOYSA-N
-5E575DF4A4B6C4DE_1ABBF5569FEA24F3_7022_UN,C1(=CC(=CC=C1)OC2CCCCC2)OC3=CC=CC(=C3[S](=O)(=O)F)OC,YWPXVVIIMLGNDQ-UHFFFAOYSA-N
-5F56E8CC0F6C61A5_53002730F8301FF5_6003_UN,O(C1=CC2=C(C=C1)CCCC2=O)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,XXUIKUMAXQJIIS-UHFFFAOYSA-N
-5F7C06DE22495E80_B5A0EFB934F21EA0_6041_UN,O=[N](=O)C1=C(C(=CC(=C1)NC(CCC(C)(C)C)C2=NN=C[NH]2)F)C#N,OSCYBIYXNNSRFF-UHFFFAOYSA-N
-6424C90E5135FEBE_A7CB110867BC8FFE_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C=C5)C6(CCC6)C#N)(=O)=O,CATOFARKVLLMFO-UHFFFAOYSA-N
-64A1F40228A86DB3_A917356E6F4383C0_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)NC3=C(C=C4C(=C3)CCC4)[S](=O)(=O)O,PDWVVXKDLKNGMI-UHFFFAOYSA-N
-687723BF33438469_333BFAB8908A9411_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC(C#N)C3=C(C=CC=C3)F,XNOATLDZHZVIBU-UHFFFAOYSA-N
-693A21FA351493E3_E2A9F9A6591A5F71_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=N[N]5C=C(C(C)(C)C)N=C5S6)(=O)=O,FXSWRQYMCCHBOF-UHFFFAOYSA-N
-6A855106D5D3A7F4_DC990274A10F143A_6035_UN,C[Si](C)(C)C#CC(OC1=NC=NC2=C1C(=C[N]2C)I)CC3=CC=CC=C3,FNVPDURFSAOFJB-UHFFFAOYSA-N
-6D139EFA351D3768_9680DFBAAA9C4EFA_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCCC4=CC=C([S](N3C(C)CCCC3)(=O)=O)C=C4)F,QEDLQMJPZXLOGD-UHFFFAOYSA-N
-6DC7023DD27B6005_9BF411E190959AFE_6029_DP,N1CC(C1)C(N[S](C3=CC2=C(C(O)CCCO2)C=C3)(=O)=O)C4=CC=C(C=C4)F,UYDHIPIXVSZSAH-UHFFFAOYSA-N
-6ED1FC7FD8966268_306AB90EC19AD581_6029_UN,COC1=CC=C(C=C1)[C@H]2[C@H](CC2)N[S](C3=C(C=C(F)C=C3)C4CC4)(=O)=O,ZKWHILZJYBAOFJ-HKUYNNGSSA-N
-6F066B66B017BBFF_E475A6ED5F98F363_7022_UN,C1(=CC(=CC=C1)OC2CCCCC2)OC3=CC=CC(=C3[S](=O)(=O)Cl)OC,KJHASXRRZVQNFQ-UHFFFAOYSA-N
-6F79178A26196FDC_355B0FBBF30D668E_6034_UN,CC[C@H](C)[C@H](N)C2=NC1=C(C=CC=C1)N2CC3(CN(C)C)COC3,SMFKVXVSYQYIRB-YOEHRIQHSA-N
-7531FF8FDCAFDBA3_0A6656FDE7ADD52D_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC3=CC=CC(=C3)N4CCN(C(C)=O)CC4,GCOVGNPBWAQRFY-UHFFFAOYSA-N
-76ACBCF5ED662F46_6937D36B3C375464_6003_DP,N2CC(=C(F)COC1=CC=C([S](CC(OC)=O)=O)C=C1)C2,ZEPDYEUJNRADCB-UHFFFAOYSA-N
-79D8BF2161807A95_6AC6BAAD888C9523_6029_DP,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CC5=C(CCCNC5)S6)(=O)=O,JASFLLRMTDYXIY-UHFFFAOYSA-N
-7A2CCEF4366E38C9_C11B5101B77ACC6E_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CCC2)C3=CC(=CC=C3)C#N,ACGURKZMWMVXCN-UHFFFAOYSA-N
-7A99970B3E64AFEC_0D4F84585A7EECAA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C=C5)C6(CC6)C#N)(=O)=O,VJLPLWMLZAWQJW-UHFFFAOYSA-N
-7BB5A1D975CB2818_24CAB36E3122BD48_6041_UN,ONC(=O)C1=CC=C(S1)NC(CC2=CC=CC(=C2)C)C(=O)O,MXAZDSIKVOELNJ-UHFFFAOYSA-N
-7C08D8C471D7B6C6_45E6E4DA84095B64_6039_UN,CN2CCN(C)CC(COCC1=CC=C(O[S](F)(=O)=O)C=C1)C2,PIBNLKAETMCUAK-UHFFFAOYSA-N
-7D1F758B20662877_4A2F6300820E11B0_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2CCOC3=C2C=CC=C3,PXJSZPHYHQFXAN-UHFFFAOYSA-N
-7E28C0AFBE9AD1F9_86BE1111002F3D3E_6028_UN,N(CB(O)O)[S](C3=NN=C4N(C1=CC(=CC(=C1)C)C)C(=O)C2=C(C=CC=C2)[N]34)(=O)=O,INGVKYVVVKKSHK-UHFFFAOYSA-N
-7EF65009A8898057_7758E53A2B501972_6041_UN,CC1=CC=C(C=C1)C2=NOC(=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,AKWKHZHNMHVRBC-UHFFFAOYSA-N
-82828204820725B3_D35917245A2EDC43_6039_DP,N3CC(OCC(NC2=C(C(C)=O)C=C1OCOC1=C2)=O)(CC(=O)O)C3,JGFZSCRDWNFKLI-UHFFFAOYSA-N
-8418C5472343B516_1219D614C1B6111A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=N[N]5C=CC=NC5=N6)(=O)=O,PEBCISJBTVGFKC-UHFFFAOYSA-N
-845FA5A381B18B4E_70B7FB51E43E5197_6038_UN,N(C1=CC2=C(C=C1)[NH]N=N2)C(C(NO)CC3=CC=CC=C3)=O,JRPGSNJTGWNXRS-UHFFFAOYSA-N
-85F8D244EB9C3EC6_612388B9E4F67582_6038_UN,CC1=C(C1COC(C2=N[NH]C(=C2)C(C)C)=O)[Si](C)(C)C,UEBHUKYIKNPFKF-UHFFFAOYSA-N
-883C0CF426EB72D2_EB69B74107F62035_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,SPDSIPCJVQMJGQ-UHFFFAOYSA-N
-8921FE917EBCB270_86E2DA55C8352D5C_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=C(C3(O)CC3)C=CC=C4)(=O)=O,LWTYQMVWIWGYMG-UHFFFAOYSA-N
-8939FF9576BC6313_4F652B151D0E05B6_6038_UN,CON(C)C(=O)[C@H](C)NC(C1=NOC(C(C)(C)C)C1)=O,YFIIXTWPWVIYMA-PEHGTWAWSA-N
-8A1B54D22441D365_62481163B7AF8C3D_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(O5)C6CCC6)(=O)=O,LUJIYJGATDTNBD-UHFFFAOYSA-N
-8D7F7810CE31E093_44ED86FDDF659270_6038_UN,CC(C)(COC(C(=NOC)C1=CSC(=N1)N)=O)[N](=O)=O,AGZSCRHZUYDSAE-UHFFFAOYSA-N
-8DC6971A1B517B34_C8EA9CDFD254098A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C[N](CC)N=N5)(=O)=O,IMESOIVGNKWRNR-UHFFFAOYSA-N
-9284B5928FEDC688_276B70B377350F43_6038_DP,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4(C(O)=O)COC4)=O,FRWUFAOQAOWXST-UHFFFAOYSA-N
-959B2FDCCFE7EDF3_6D1479FF7B76F342_6038_DP,CC(OC1=C(C=CC=C1)NC(C(C(CC)C)NC)=O)C#N,XDEACEUCMISVGZ-UHFFFAOYSA-N
-96DBF37136663D48_8B34E3D5CDA5BF98_6039_UN,CC(C)(COCC(NC1=C([N](=O)=O)C=C(C=C1)C(F)(F)F)=O)N2CCNC2=O,IGNCLDKREXGYGW-UHFFFAOYSA-N
-97FD842FC5F2C6D4_0B0BD86D76554F8F_6041_UN,OC(=O)C1=CC2=C(C=C1)C(=NC=N2)N[C@@H]([C@H](CC)C)C(=O)N(C)C,AOQHJBPAQJXAET-HZMBPMFUSA-N
-9E31E245280DB172_298000C52CA5D251_6038_UN,CCN1CCN(CC1)C2=NC=C(C=C2)CNC(C3(CCCC)CC3)=O,FQVYBERLULMSOS-UHFFFAOYSA-N
-A063FA11BE596794_4EC611DA2C43B130_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2(CCCCC2)C3=NC(=NO3)C4=CSC=C4)[NH]5,GLJHLPZKIVGVCZ-UHFFFAOYSA-N
-A2231FDF69361009_995CA5766CEA5FB2_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC4(C3=CC=C(OC)C=C3)CCOCC4,RIPLTAGKLGHBQR-UHFFFAOYSA-N
-A27FA6C94B27893A_161E86663AD237E2_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CCC3=CC(=N[N]3C)Br,LMGMDKFULZCFJP-UHFFFAOYSA-N
-A2C21431AD465542_4020BDEFBBAA9322_6038_UN,N(CC1=C(C=CC(=C1)C2CC2)F)C(C3=C(N=N[N]3C)C4=CC=CC=C4)=O,WSVYFZSBANAPSY-UHFFFAOYSA-N
-A40185845D1FFE24_C6714F2E877CE0C1_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CC(CC(C)C2)C)[N]3CC4=CC=CO4)(=O)=O,DDAPKDQSJJTJEJ-UHFFFAOYSA-N
-A7E9C321A3FB0F41_7081F69400C141DF_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC([C@@H](C(C)C)N(C)C)=O,CQVKOJDWCBKIKU-HXUWFJFHSA-N
-AEDDE89FCF88B546_33E118832E4611E6_6038_UN,CCCC1=CC(=C(C=C1)NC(C2=N[NH]C(=C2)CCCCC)=O)C#N,JKAUTYRXRLVPHV-UHFFFAOYSA-N
-AF9FC8EB89B886C1_F9F26BACF88B5CBD_6035_UN,O(C1(CCNCC1)C2=CC(=CC=C2)Br)C3=C(C=C(C)C=C3)[S](=O)(=O)O,RWQCUEVGAJXFMK-UHFFFAOYSA-N
-B011DFE7D2ED3CCE_D182CB221049B991_6038_UN,C[N]1(CCC(CC1)(CNC(C4=C(CSC2=N[N]3C(=N2)N=C(C)C=C3C)C=CC=C4)=O)[S](=O)(=O)C)=O,JLVDFUYLFZPHTM-UHFFFAOYSA-N
-B0E2FE3691A3DC5F_8CD7EA2B0BD65A52_6029_UN,FC1=CC(=CC=C1)OC2CN(C2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,RTGXQKDYSVDUGX-UHFFFAOYSA-N
-B3E930AC611C5ED0_72690DBD6C522C0E_6038_UN,CC(C)CCN1C(OC(C1)CNC(C(CN(C)C)=C)=O)=O,GPLKZSITLFJIDR-UHFFFAOYSA-N
-B4496C1700B4659B_EF0A983E28F8F8A2_6029_UN,OC(=O)C1=CCN(CC1)[S](C3=C2OCOC2=CC(=C3)CBr)(=O)=O,WESCGFTYVDJXAP-UHFFFAOYSA-N
-B4CEB14FF9750256_13CAE7AC3E268347_6004_UN,Cl[S](=O)(=O)C1=CC(=C(C=C1)C#N)C2=CC=C(C=C2)C3(O)CCC3,AOFUMAHKAHAKAC-UHFFFAOYSA-N
-B6B2596A4F0A1263_29438FC9E31721B8_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C3CCN(C(C(C)=C)=O)CC3)=O,IIVHZPCFKFFXAK-UHFFFAOYSA-N
-B7ED540853F90F99_5FEC6414643AC06A_6029_UN,N(C2=C(C=C1OCCCOC1=C2)S)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,BTEJAHWWLFYMQZ-UHFFFAOYSA-N
-B8195C64623476B5_5E4CC1405B682AE4_6038_UN,CCOC(=O)C[C@H](NC(C(C(N(C)C)=O)(C)C)=O)C1CC1,ZGUWPSDPMHMPKR-NSHDSACASA-N
-B83DF3B3D1278063_055B707998BFFE96_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=C(O3)C4=CC5=C(C=C4)OCO5)(=O)=O)C,AVPYSHNJLVFJBK-UHFFFAOYSA-N
-B9368ECDB0AA2234_20C57A62C2BAB560_6035_UN,CCOC(=O)C(F)(F)C1(CNC1)OC2=C(C(C)=O)SC=C2,HOAYISRFZMJNMU-UHFFFAOYSA-N
-BB17E2C5627853C8_7AC2FFDFAC70C280_6028_UN,N(CC=CC1=CC=C(C=C1)Br)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,LMFZMBOIIURGLF-UHFFFAOYSA-N
-C3ECFCB0F89B6226_2E469806029588CF_6029_UN,OCC(=C1CN(CCC1)[S](C2=CC=C([P](C)(=O)C)C=C2)(=O)=O)F,RBZRTXOIDONPQU-UHFFFAOYSA-N
-C47945C9BBE0D885_20674D2F93E401FA_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,JZBZSVLSPUSFTM-UHFFFAOYSA-N
-C6CEAFA485AB02AE_62F1FACAEC36F7FD_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,JDXVLMNVTNTQMD-MRXNPFEDSA-N
-CBC396B19A0B05EC_909A0C1B201C4B51_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC3=CC=C(C(N(C)C)=O)C=C3,HUSHUCXMWNIQLQ-UHFFFAOYSA-N
-CBC934A4C27DA344_2B48D9A896D95D28_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NC3=C(CC(C)(C)CC3)C#N,XCQOTEBWTDACME-UHFFFAOYSA-N
-CEA2A035E6507B57_78EF2218992052BD_6029_UN,N(C(CB(O)O)C(=O)O)[S](C2=CN=C(N1CC(O)C1)C=C2)(=O)=O,YJRWHAIDVPMFBO-UHFFFAOYSA-N
-CF6919B3930229C5_48B04A8F5B139F17_2201_UN,CC(C)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23,GTNZIGRHDMPESS-UHFFFAOYSA-N
-CFCD0A4B4194EBCF_DF602BD85C283224_6038_UN,CC(C)[C@H](NC(C(CCN(CC)CC)=C)=O)C1=NC=C[NH]1,VWEQDXLVNSXGBD-AWEZNQCLSA-N
-D17E46A018A87CF8_A9513C337EC9A9FE_6038_DP,CC1=C(C=CC(=C1)NC(C3(C2=CC=CC(=C2)[S](C)(=O)=O)CCCC3)=O)N4CCNCC4,MSZMOVXHOQHMGE-UHFFFAOYSA-N
-D2980A736140CF97_4D4A9923FA3A6502_6028_UN,N(CB(O)O)[S](C2=NN=C(C1=C(C)C=CC=C1)[N]2CC=C)(=O)=O,PUQUAJNVUQZOSN-UHFFFAOYSA-N
-D32387008704BC2E_E290CB9715998B88_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)CC#C,QVGJNMISIDRHPK-UHFFFAOYSA-N
-D3F57C5A6255F059_35707D0393AB1E89_6038_UN,CCC(NC(=O)C1(CC1)C2=CC(=CC(=C2)F)C#N)C3=NC(=N[NH]3)C,UNUNODAXFMDJAM-UHFFFAOYSA-N
-D47A70322F540D2A_CB7BCFAA2C9B2F64_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(CC)N=CO3)=O,UDGDSLXZNGUUNN-OAHLLOKOSA-N
-D52FB7A9D6288B55_26AC0F43BD9AB45E_6039_UN,C[C@@H](OCC1=C(C(OCC)=O)CNC(N1)=O)CC(=O)N(C)C,ASTHAITUOMFRJG-SECBINFHSA-N
-D66860EE20FF9D58_432FF00EC87DCD0A_6029_UN,N([C@H]1[C@H](CC1)C2=C(C=C(C=C2)F)F)[S](C4=CC=C(C3(O)CC3)C=C4)(=O)=O,IGXOVUNBQPUOLF-SJLPKXTDSA-N
-D8E952AC271508F4_FC3D9171287308F1_6039_UN,C[C@H](OCC1=C(C(OCC)=O)CNC(N1)=O)CC(=O)N(C)C,ASTHAITUOMFRJG-VIFPVBQESA-N
-DA16F943A7B4934C_A9062A1EED2BB77D_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C3=C(CC2(O)CCC2)C=CC=C3)(=O)=O)CCOCC4,WHEVLQYDGWZKHN-UHFFFAOYSA-N
-DB538C4154C7AD2F_51C4D2D4DB791751_6038_UN,CC(C)C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NN=N[NH]3)F)B(O)O,WOCIXSWGPZWUAI-UHFFFAOYSA-N
-DB5AA80A539F498D_881D63C2D7B725F0_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,FHNFNXBYHPLMBO-UHFFFAOYSA-N
-DD44548F7A7EB732_28422083E3F7CC52_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(CC)C3CC3(C)C,YVFBNBLPVOPQMD-UHFFFAOYSA-N
-DD757C0AB1B96B27_0459B4D3F136AFC7_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C6SC=C(C)[N]56)(=O)=O,CVKZHOSAMDYDQY-UHFFFAOYSA-N
-DEAD98215624F694_A7B0D3900DFAA115_6041_UN,CC1=CN=C(O1)NC[C@H](CC(OCCOC)=O)CC(C)C,LHPGOJLHHYJLHF-ZDUSSCGKSA-N
-DEAD98215624F694_CF42B5B93E65C1C6_6041_UN,CC1=CN=C(O1)NC[C@H](CC(OCCOC)=O)CC(C)C,LHPGOJLHHYJLHF-ZDUSSCGKSA-N
-DEE901404F84C008_0849D8121CA8BF3F_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C,MGXOKAGDHOKSAD-BLLLJJGKSA-N
-DF0F2844449C4468_976ED52232F2E29A_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(C2(C)COC(=O)OC2)=O,CONLLXGPUVPONX-UHFFFAOYSA-N
-DF26D193D47F68B2_03062A460CB889DE_6038_UN,O(C1=C(C=C(C(=C1)Br)F)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,CIJDDUTZJLLBSZ-UHFFFAOYSA-N
-DF9E1394A8790D17_EC7D3856525EC088_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(O5)C6CC6)(=O)=O,OFEJRYTUIBLKPV-UHFFFAOYSA-N
-E09E36FAE212A364_1FA9454C4FB5818A_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,RMTOISCEQLTOSY-UHFFFAOYSA-N
-E53A2535AB180E2D_22D122B839782CB1_6035_UN,NC1=NC(=CC(=N1)Cl)N4CCCC(OC3=C2C=CC=C(C2=CC=C3)[S](=O)(=O)O)C4,RTFIOGYXAKPLLF-UHFFFAOYSA-N
-E555DA05F032960A_8E14939891F181DC_6038_UN,CCC[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,LNXPSGUSBSDLHH-ZETCQYMHSA-N
-E60EC3460C021609_C9A86CB108DD3FDF_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=CC(=N5)C#N)(=O)=O,CRARJMPQPZQPNQ-UHFFFAOYSA-N
-E632CFD04FB82557_F6E2830FC5DA6586_6038_UN,CCCCOC(=O)C(NC([C@H]1C[C@H]1C(N(C)C)=O)=O)CC2=CSC=C2,NRCSOXIOVKXCSN-SNTRVMSOSA-N
-EA1C5F4E991AD0E2_D020B091FF490AB2_6041_UN,FC1=CC2=C(C=C1)C(=CC=N2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,MCYZARNKCGDRBO-UHFFFAOYSA-N
-EB46864E66D6FD61_E576A6F384CC534F_6038_UN,O(C1=C(C=C(C(=C1)F)Cl)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,FSXRRKFXTQMCAS-UHFFFAOYSA-N
-EBBCDA6FD0520D71_7F13888F98382823_6038_UN,O(C1=CC(=CC=C1)C2CCCC2)C(C3=CC=C(C(C)=O)S3)=O,WYRUIENBUHLFQD-UHFFFAOYSA-N
-EE973DAC813AF1F7_F6A748CE42DB5826_6035_UN,C[Si](C)(C)C#CC(OC1=CC2=C(C=C1)N=CC=N2)CC3=CC=CC=C3,TVTJMBWHZHOIKE-UHFFFAOYSA-N
-EF8CD31DC088C840_30629EFEBEB21A94_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC(OCC)=O)C=CC=N3)(=O)=O,LVQSXGLTKCPSFG-UHFFFAOYSA-N
-F098874192B4D0E8_C4ECA6AEB98F4D1C_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,ATCBLJFYUGYFOR-GXICYEEUSA-N
-F0DAC61FB003A7F8_6A0590F8FFA55A8E_6029_UN,ClC1=CC(=CC=C1)OC2CN(C2)[S](C4=C3OCOC3=CC(=C4)CO)(=O)=O,KJZRQSNMAKYQHQ-UHFFFAOYSA-N
-F103C01F117F18B9_49E199B1CC4567E0_6034_UN,O=C1OC3=C(N1CC2=CC(=C(C=C2)Cl)[N](=O)=O)C=CC=C3N4CCNCC4,MGOCJXNLLCNJMJ-UHFFFAOYSA-N
-F2FCE18920D2B04E_5F8E4A6E37BC0805_6038_UN,N([C@@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C4(C3=CC=C([S](N)(=O)=O)C=C3)CC4)=O,ORTDQPXUPWVWPY-INIZCTEOSA-N
-F3DA97956045A904_7BD1997FC9636ED8_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(P(N(C)C)N(C)C)C=C2)(=O)=O,JIHMXKOLQSEBCF-UHFFFAOYSA-N
-F4C36A324E55C90E_F06BDE32D12B2E8D_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=C(SN=N2)NC3(CC3(C)C)C#N,NFLRGLKMTPQDDC-UHFFFAOYSA-N
-F4FF3B1594BE1A1F_AF26CA0781DFA872_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC2(CCC2)C3=CC=C(C=C3)C#N,MMRDTISENHOJHA-UHFFFAOYSA-N
-F93943F4F7901FAE_ABFF69556C0CE571_6035_DP,CC(=O)CC3(OC2=C(C=C(C=C1N=C(N(C)C1=O)C)C=C2F)F)CNC3,VJCGCTWNLPRVLC-UHFFFAOYSA-N
-F964E45FA6EED92C_EC7207925263507D_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)O)[S](C3=CC(=CC=C3)C=C)(=O)=O,MBDFOXAWNXNAGC-UHFFFAOYSA-N
-FC6C2AB1C4265555_BD317C1D666A9DBC_6041_UN,OC(=O)C2=C(C=C1C=CC=CC1=N2)NCC(O)(CO)CO,KWXQBTMFTZVMGJ-UHFFFAOYSA-N
-FCCDD6FC0A7AC494_DADA1FC565C07B66_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(C)S5)(=O)=O,PLWFOEJMQSSXFC-UHFFFAOYSA-N
-FCD197A5A6465323_DD0B91723FC6E334_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N[S](C4=CC=C(OC3CCC(CC)CC3)C=C4)(=O)=O,NJWPWHBAEJQPSI-UHFFFAOYSA-N
-rxn:1:45268:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(C5=C(Cl)C(=O)N(Cc6ccccc6)C5O)nn4)cc(=O)c3c2)CC1,VLVKWRJGPCVBER-UHFFFAOYSA-N
-rxn:1:50902:24097,Cc1cc(C2C(Cn3cc(CC4(C(=O)O)CCC5(CC4)N=N5)nn3)C2(F)F)cc([N+](=O)[O-])c1,MCZZOKBVQYXMLZ-UHFFFAOYSA-N
-rxn:1:51281:12532,O=C(Nc1ccc(-c2cn(CC3C(c4ccc(C5(C(=O)O)CC5)cc4)C3(F)F)nn2)cc1)c1ccnc(N2CCOCC2)c1,ITZLZFLNVDGYQX-UHFFFAOYSA-N
-rxn:1:51390:28319,COC(=O)C1(c2cn(CC3C(c4cc(C(N)=O)cc([N+](=O)[O-])c4)C3(F)F)nn2)CCCC1,GKMGHTRTJMZYJD-UHFFFAOYSA-N
-rxn:1:54868:10994,CC(=CC(=O)NCc1cn(CCC2C(c3ccc(C4(O)CCNCC4)cc3)C2(F)F)nn1)c1ccncc1,ABEACVGBPHSXDY-UHFFFAOYSA-N
-rxn:1:59653:38541,CCOc1ccc(C(=O)N2CCC(n3cc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)nn3)CC2)cc1,IOPDJTYOFGKVMC-UHFFFAOYSA-N
-rxn:1:59801:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CCCN3S(=O)(=O)Cc3ccccc3F)nn2)CC1,VLUWWIOFZXXSOY-UHFFFAOYSA-N
-rxn:1:60290:13334,Cc1cccc(OCC(=O)N2CCC(n3cc(-c4cccc(C(=O)Nc5ncc(Br)nc5N5CCCC5)c4)nn3)CC2)c1,UYJLXGJLDLBIIT-UHFFFAOYSA-N
-rxn:1:60348:13557,Cc1cccc(C(=O)N2CCC(n3cc(-c4cccc(C(=O)N5CCN(S(=O)(=O)c6ccc(Br)cc6)CC5)c4)nn3)CC2)c1,ACAFGZDJKBSKNF-UHFFFAOYSA-N
-rxn:1:61949:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(-c4ccc(C(=O)N5CCCC(CO)C5)cc4)nn3)c2)CC1,VGOGHRITAHJLNO-UHFFFAOYSA-N
-rxn:1:62652:13060,CC(C)(S)[C@@H](C(=O)O)N1CC(Cn2cc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)nn2)CC1=O,DOYJJNJROFAGII-VXNXSFHZSA-N
-rxn:1:62677:13567,CC(Cc1cccnc1)N1CC(Cn2cc(-c3cccc(C(=O)N4CCC(C)(C)CC4)c3)nn2)CC1=O,LMJWEUDOMYEIRG-UHFFFAOYSA-N
-rxn:1:62846:10555,C=C1N=CC=C(N2CC(Cn3cc(CS(=O)CC(=O)c4ccc5c(c4)N(C)C(=O)CO5)nn3)CC2=O)N1,DKNRAJLNBQTWMD-UHFFFAOYSA-N
-rxn:1:62954:7882,CC(=O)Nc1ccc(N2CC(Cn3cc(C(=O)N4CCN(c5cc(C)c6ccccc6n5)CC4)nn3)CC2=O)cc1Cl,XCLWTYOUINDNIG-UHFFFAOYSA-N
-rxn:1:63400:25054,CCc1cccc(N2CC(c3cn(CC4CC(=O)N(c5ccccc5C#C[Si](C)(C)C)C4)nn3)CC2=O)c1,LIEDCNILTPQARY-UHFFFAOYSA-N
-rxn:1:63400:25733,Cc1c(CO)cccc1N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,BXGFAYYRKYVBOH-UHFFFAOYSA-N
-rxn:1:63506:18660,Cc1cc(O)ccc1N1CC(Cn2cc(CN3C(=O)SC(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)C3=O)nn2)CC1=O,YZFIHFKQOKOZAI-UHFFFAOYSA-N
-rxn:1:63718:8004,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(Cn5nc(-c6ccccc6)ccc5=O)CC4)nn3)CC2=O)c(C)cc1Cl,DKIQOFFUQBOAEM-UHFFFAOYSA-N
-rxn:1:64317:29711,O=C(O)c1cc(Br)cnc1N1CC(Cn2cc(-c3ccc(C(=O)N4CCC(CO)CC4)cc3)nn2)CC1=O,UXHHZYRIMXSKKK-UHFFFAOYSA-N
-rxn:1:64327:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5c(F)cccc5C(=O)O)C4)nn3)nc2)CC1,CRIBFQYHZWCQBP-UHFFFAOYSA-N
-rxn:1:64757:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)c2)CC1,DJBMLVBZVDONEX-UHFFFAOYSA-N
-rxn:1:64757:8342,Cc1cc(CC2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)CC2)ccn1,IYSDJFQDTRJCLM-UHFFFAOYSA-N
-rxn:1:65434:24448,CC(C)(C)[C@@H](CO)N1CC(c2cn(CC3CC(=O)N(c4nccc(-c5ccncc5)n4)C3)nn2)CC1=O,YILVOMUCZYBQAQ-RKOYOZNISA-N
-rxn:2:102020:166005,CC(C)(CNC1CCN(c2cccc(S(C)(=O)=O)c2)CC1)N1CCN(c2ccccc2)CC1,HGCCNUCDLDSUGI-UHFFFAOYSA-N
-rxn:2:104370:149518,CCOC1CCN(c2ccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)c2)CC1,SYDSVKAHTVLRFS-UHFFFAOYSA-N
-rxn:2:107007:148822,CCN1CCCC(Oc2ccccc2NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,HNJBSKLWTWQJJL-UHFFFAOYSA-N
-rxn:2:107007:153335,CCN1CCCC(Oc2ccccc2NC(c2ccc(S(=O)(=O)CC)cc2)C2CCCC2)C1,KWPFOVQMDTUMLT-UHFFFAOYSA-N
-rxn:2:116412:148296,CC(C)CN1CCCC(c2ccc(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)cc2)C1,WOVWQGBAIFRHPS-UHFFFAOYSA-N
-rxn:2:126098:148822,CN1CCCC(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1c1cccs1,KHXDZHLZUWZLJA-UHFFFAOYSA-N
-rxn:2:128895:148822,Cc1ccc(C(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)N2CCCCC2)cc1,CTRUPLGFMVALSQ-UHFFFAOYSA-N
-rxn:2:135109:151416,CC1CCN(Cc2ccccc2NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,MJHYUXZZUVGEAC-UHFFFAOYSA-N
-rxn:2:140446:148822,CCN1CCCC(Oc2ccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)C1,QYADLRFKXOWURZ-UHFFFAOYSA-N
-rxn:2:149647:84782,CCCC(Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C1CCN(C2CCCC2)CC1,DPKPSIFCXHDREK-UHFFFAOYSA-N
-rxn:2:152496:112206,CCC(Nc1ccc(-c2cccc(S(C)(=O)=O)c2)cn1)C1CCN(C2CCCCC2)CC1,CGVLUIBNMRWHPI-UHFFFAOYSA-N
-rxn:2:157251:68160,CCCC(Nc1cccc(-c2cccc(S(C)(=O)=O)c2)c1)C1CCN(C2CCCCC2)C1,AILGLJMBBSRKIS-UHFFFAOYSA-N
-rxn:2:160755:84782,CCCC(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCN(C2CCCC2)CC1,FQHAAHXONBVLAP-UHFFFAOYSA-N
-rxn:2:160755:99107,CCCC(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCN(C2CCCCC2)CC1,PWTNRFYOIOAYMG-UHFFFAOYSA-N
-rxn:2:163950:168895,CC1(c2nn(C3CCC3)c(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)c2C2(C)CC2)CC1,VHAKCSILVJQYNE-UHFFFAOYSA-N
-rxn:2:68222:152846,Cc1ccc(S(=O)(=O)n2cc(C)c(C(C)Nc3ccc(C4CCCCC4)cc3N3CCCC3)c2C)cc1,ONCKNFTWVQTOGX-UHFFFAOYSA-N
-rxn:2:69816:121598,CCCC1CCN(CCNC(c2cccc(S(C)(=O)=O)c2)C2CC2)CC1,IIKUUOUHJOADPP-UHFFFAOYSA-N
-rxn:2:70604:153335,CCCN1CCC(c2cccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)c2)CC1,FZJYOCCQLCYOGC-UHFFFAOYSA-N
-rxn:2:71111:163743,CC1(C)CN(CC2CC2)Cc2cc(NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)ccc21,CMKNKCZHTHVKLV-UHFFFAOYSA-N
-rxn:2:72138:148822,CN1CCC(COc2ccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)CC1,IZOJXTHOKCBODC-UHFFFAOYSA-N
-rxn:2:73079:121598,COc1cccc(C2CC(NC(c3cccc(S(C)(=O)=O)c3)C3CC3)CN(C3CC3)C2)c1,BOUZRJDZERVNJK-UHFFFAOYSA-N
-rxn:2:73107:151416,CC(c1ccccc1)N1CCC(CNC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,BTJOQEJAXCKJSX-UHFFFAOYSA-N
-rxn:2:73107:166005,CC(c1ccccc1)N1CCC(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1,UZIGCMSRBJPZJW-UHFFFAOYSA-N
-rxn:2:79409:148822,CCN1CCC(Oc2cccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)c2)C1,ZDGIBPKGGWHMTC-UHFFFAOYSA-N
-rxn:2:79409:153335,CCN1CCC(Oc2cccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)c2)C1,KMLWPIFTEWKBER-UHFFFAOYSA-N
-rxn:2:81699:124940,CC(C)N1CCC(Nc2ccc(C3CC3)cc2S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,COYJOCFOQSDBCY-UHFFFAOYSA-N
-rxn:2:82231:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)C2CCCC2)cc1,WDTGOJVZJSBOLT-UHFFFAOYSA-N
-rxn:2:85397:168895,CC1(c2nn(CC3CCC3)c(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)c2C2CC2)CC1,KOJGHTVMTHQTOE-UHFFFAOYSA-N
-rxn:2:85438:117066,CC(Nc1cc(C2CCCCC2)nn1C(C)C1CCC1)c1ccc(OS(=O)(=O)[O-])cc1,RYFYROYGLNTCGY-UHFFFAOYSA-M
-rxn:2:96218:168895,CC1(c2nn(CC3CC3)c(NC3COc4cc(-c5cccc(S(C)(=O)=O)c5)ccc43)c2C2CCC2)CC1,AACUPMAQJGCENR-UHFFFAOYSA-N
-rxn:2:96875:148822,CC1CCN(CCOc2cccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)c2)CC1,VYLGGYIYPBZMSF-UHFFFAOYSA-N
-rxn:2:96875:163743,CC1CCN(CCOc2cccc(NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)c2)CC1,CQEYPLCVMILCHI-UHFFFAOYSA-N
-rxn:3:60928:39497:156071,CC1(C)CCCC(c2cn(Cc3ncccc3C(=O)NC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)nn2)C1,XRUFVNOBHHAFTC-UHFFFAOYSA-N
-rxn:3:63332:8:106561,COc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2C)cc(N2CC(Cn3cc(-c4ccc(N5CCCC5)nn4)nn3)CC2=O)c1,ZEAJADNVELPPFW-UHFFFAOYSA-N
-019602FB209907A2_FEC876E1B18FD265_6039_DP,NC2(COCC1=NC(=N)NC(=N1)N(C)C)CC(F)(F)C2,RJMXZMXHHUQJOK-UHFFFAOYSA-N
-02DA3E9E90632474_E4E84DABE5B60901_6038_UN,CC1=C(C=CC(=C1)NC(C3=CN=C(N2CCC(C)CC2)C=C3)=O)[N]4C=CN=C4,JMKDDHPEWAPGQN-UHFFFAOYSA-N
-038DBCA75B7FD62D_1439C28B8D0CDFAE_6041_UN,C[N]1C=NC2=C1N=C(N=C2)NC4=CC=C(CN(C(C)=O)C3CC3)C=C4,REDKAMQBRZIVJN-UHFFFAOYSA-N
-03AF18CA365CDF33_0B0E22D1BC02CE2D_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=CC=CC(=C4)C[S](C)(=O)=O,TWEDMZUQEVBMDR-UHFFFAOYSA-N
-044D6F92F4E11AD3_2CEDD0254FF03FF7_6041_UN,CN1CCN(CC1)C(=O)C2=NC(=CN=C2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,JNQJSNKPEWSSST-KRWDZBQOSA-N
-04C482890CE900F0_82F433061DD1BF60_6041_UN,CC1=N[NH]C(=C1NC3=C(C(N2CCC(C)CC2)=O)C=CC=C3)C,RXRBBMQTVULNOO-UHFFFAOYSA-N
-04FD03CA64450930_7A723917F90F1A9C_6038_UN,CN(C)C1=CC=C(C=C1)N3CCC(NC(C2=C(CC)N=CN=C2)=O)CC3,SRSIOOSEDZCXBE-UHFFFAOYSA-N
-05918CC549B96704_7C9C6B452DD30DCD_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC5=C([S](N4CCN(C)CC4)(=O)=O)C=CC=C5,ILBJDHKBMBZIGY-UHFFFAOYSA-N
-062BF211C0DAA3E4_413D761A4B1266DF_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC4CCC(C3=CC=C(C(C)(C)C)C=C3)CC4,UQRYCIRFHALMDY-UHFFFAOYSA-N
-06EB45C56F70472F_191769E64E164491_6038_UN,S(C1CC1)C(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4,OEDMRAXUQIZGRS-UHFFFAOYSA-N
-07409D5B932854AE_B2F54E5E98963086_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC3=C(N2CC(N(C)CC2)=O)N=CC=N3)N4CCOC4=O,KPKYGEZDPYUGCV-UHFFFAOYSA-N
-07585B4B6826B1B9_5E47B849FCC87E0F_6038_UN,N(C1C(NC(CC1)=O)=O)C(C2=CC=C(C=NOC)C=C2)=O,XMDHPXFBXXAVLN-UHFFFAOYSA-N
-08EA3619FF7C4991_1F6CC00612CF9758_6029_UN,N(C1(CCC1)C2CCC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,MYSOGDADLUNYOQ-UHFFFAOYSA-N
-0C747B592C58F625_568B132494806AF9_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(C)C3=CC=C(C=C3)Br,XQWDRNZYFDREFL-UHFFFAOYSA-N
-0D4716391E55D8AD_7E40DC71DBCC1270_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NC3(CC(N(C)C)=O)COC3,VCDDRBIUAWBRAL-UHFFFAOYSA-N
-0DE5E8304683AEE5_8A1E225151D598CB_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC4=CC(=C3OCOC3=C4)Cl,FWMBHPCJWUREJN-UHFFFAOYSA-N
-0E6E2239BED24641_A14E939AF15CF7AC_6041_DP,CCC(=O)C1=CC(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3,UELOUNPXSXMWGZ-UHFFFAOYSA-N
-0F6E41FDD4EA167D_410DDC64E3E0FF14_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N=C(N2CCN(C)CC2)C=C3)C)[NH]4,XKGQWXLPCMURHD-UHFFFAOYSA-N
-10034E0CFAC669DC_FCA80E2E0A948384_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC(CC)C3=CC=CC=C3,KJHQLJCJQAXJFK-UHFFFAOYSA-N
-109BFDF0C49509C1_DE296B6EDD70807B_6029_UN,OC1=C2C(=CC=C1)OCCN(C2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,RYWNCFMSEXCYAP-UHFFFAOYSA-N
-10FC77A13087CFB7_2F929CF8FB08145E_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C3=CC=CC4=C3N=C(C(C)C)[NH]4)=O,FLTDWQCJOBRLIB-MRXNPFEDSA-N
-1115C1ED6DAAAF77_F6D7F9B027DF9443_6029_DP,N3CC(N[S](C1=CC=C(C=C1)C2CCCC2)(=O)=O)(C3)C4=CC=CC=C4,SFLNCWZBXOZVHH-UHFFFAOYSA-N
-11E2FDA2F13F5982_CE9E33396475E019_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4,BKHHKIQRMNMGRI-UHFFFAOYSA-N
-12109AD86F53EA7C_1EB4F0349D81BBD1_6038_UN,COC1=CC2=C(C=C1)OCC[C@H]2NC(C3=CN=C(C)C=N3)=O,GUXZMQZURLTWAC-CYBMUJFWSA-N
-139397107FEF92FE_ACDE82EB6770B7F4_6041_UN,CC1=C(C=CC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)N4CCCC4=O,HBBWZSWVIXRPTL-SFHVURJKSA-N
-13CDF31C8BC89F70_5E747F8A9EB25947_6029_UN,N(CC1CC(C1)C2CC2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,XWFOJCJRPIZFAT-UHFFFAOYSA-N
-14498DBEBE0A7D2E_452653C4A18CF217_6041_UN,CC1CCN(CC1)C(=O)C2=C(N=CC=C2)N[C@@H]4C3=CC=CC(=C3OCC4)C,QEGKNGBODZNNBO-IBGZPJMESA-N
-1538DB5ADDF39CAB_33394F926A3FC738_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCNC2=O)F)C3=C(C)OCC3=O,KEZVMEUQGXJMIE-UHFFFAOYSA-N
-15F38B2F281130FC_223391A020EF2FDD_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=N[NH]C(=C3)C4(C)CC4)=O,PKHOYTWCQSFIPM-UHFFFAOYSA-N
-167968628744A0CA_7142B7F072220B6E_6038_DP,CCC1=CC(=CC(=C1)NC(C3ON=C(C2CNC2)C3)=O)CC,GOYAVQJXKQWLLM-UHFFFAOYSA-N
-17699009497FA60A_D9D85185F0CD3DF5_6038_UN,CC1=N[NH]C(=C1C)CNC(C3=C(C2=C(C=CC(=C2)CCC(C)=O)O3)C)=O,MVIYYVCCJZKETL-UHFFFAOYSA-N
-1AB8C6EDFC1B1966_2FC292391E39AE37_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=CC=C(CC[S](C)(=O)=O)C=C4,KMPZUQMIMACMSU-UHFFFAOYSA-N
-1B05F7F0443509D0_D35F52EEED8EADEE_6028_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=C(C(C)=O)C=CC=C3)(=O)=O,WEOMQHYXTOELMV-UHFFFAOYSA-N
-1EF70C9BFAAEF45B_627F246C9C13F9B5_6005_UN,Cl[S](=O)(=O)C1=C(C=CC=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,MLJYBQCZQNSZHH-UHFFFAOYSA-N
-1F1B359C663908DC_93078D9D0F30F7BC_6039_UN,O(C1=C(C(=NC=C1)Br)F)CC(N3CCN(C2=C([N](=O)=O)C=CC=C2)CC3)=O,KMHCWCIJGPCASS-UHFFFAOYSA-N
-1F65D3EE4A417D87_F8CFF177684DA19D_6041_UN,O=[N](=O)C2=C1N=CC=C(C1=CC=C2)NC3=C(CC(C)(C)CC3)C#N,SCZKTWIEGQAMBG-UHFFFAOYSA-N
-1FCC00DB7E965BAC_F980EE6E8EAE2ADF_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,HLTDDNSQKLSECL-LBPRGKRZSA-N
-2031D97A3C8247A4_AE9EA98677876E67_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCCC3=C(C)C=CC=N3,QCLXPWOKZLSDLN-UHFFFAOYSA-N
-20DF6A1CA39E3333_4553B0BE5378B1BB_6041_UN,OC(=O)C1=C(C(=C(C=C1)C#N)F)NC[C@@H]2OC(OC2)=O,VKPHDFMFLXZIPC-ZETCQYMHSA-N
-218CB7A34E24DDC2_B8185B55B47F2901_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NCC3=NC(=CC=C3)N4CCOCC4,IUJBBLKWHQELHT-UHFFFAOYSA-N
-21A0D480D7C9D121_B2A92B8227B1AAC0_6038_UN,CN(C)C1=C(C=CC(=N1)C)NC(=O)C2=CN=C(N=C2)N3CCOCC3,PVDBBDXNANSKTN-UHFFFAOYSA-N
-24BC19AF904F187D_81E43602C1C01BA8_6038_UN,CCCN2CCC(CNC(C=CC1=CC=C(CC)C=C1)=O)CC2,PUTMMPKQFCHALD-UHFFFAOYSA-N
-24BD9D1DB4AB105D_71663A8077A77CBC_6041_UN,O=[N](=O)C2=C(C=C1[NH]N=CC1=C2)NC3=C(CCC3(C)C)C#N,DJTORVOGMUDZOC-UHFFFAOYSA-N
-24BD9D1DB4AB105D_9A5D29E17C3BCD3C_6041_UN,O=[N](=O)C2=C(C=C1[NH]N=CC1=C2)NC3=C(CCC3(C)C)C#N,DJTORVOGMUDZOC-UHFFFAOYSA-N
-2AFD61211A688074_F33E13EC3624AD97_6029_UN,CC1CN(CCN1CC(C)(C)O)[S](C3=C(C)C=C2OCOC2=C3)(=O)=O,SLFAACTZIDZNEV-UHFFFAOYSA-N
-2C10C3ADAEE7FE3C_E06CCEA5A4EE72EE_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC([C@H]3[C@@H](C)C4=C(CC3)[NH]N=C4)=O,MPWIHUKQOIVFLS-CPUCHLNUSA-N
-2CBABBA8F5DD59A2_CC0755F721E1EB84_6005_UN,F[S](=O)(=O)C1=CC(=CC=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,BOPKYUNPFKMCAI-UHFFFAOYSA-N
-2CD6606E2D7CBA6F_87D14A95CFF88201_6029_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=N[N](CC)N=C3C)(=O)=O,UXXYQWDYVXUWAY-UHFFFAOYSA-N
-2CFBCA4535086DE0_6AD28BF4CF0DDBF6_6035_UN,CC(=O)CC3(OC2=CC1=C(C(=CC(=N1)C)C)C=C2)COC3,UERZZZMRWSNWCH-UHFFFAOYSA-N
-2D271D0FB5997487_6AA8428F15F62E6E_6038_DP,N1CCN(CC1)C2=C(C=CC=C2)NC(C3(CC(C)=O)CC3)=O,YBWONBZPUMWIKX-UHFFFAOYSA-N
-2DC6DEA840DF8985_1E9BCBD93E4869BE_6038_UN,CN(C)C2=NN=C(CNC(C1(C(N(C)C)=O)CC1)=O)[NH]2,ZSFNKZQATQGHTC-UHFFFAOYSA-N
-2DE337CC70B40034_0A4E6526C7EF72B4_6038_UN,CC1=C2C(=CC=C1)[C@H](CCO2)NC(C3=C(C)N=C(N=C3C)C4CC4)=O,MEFXOXBDLXPXEI-INIZCTEOSA-N
-3001B37AFED23C49_F95C3F213D4B97B4_6038_UN,CC1=NCCN1CCNC(C(N(C)C)C2=CSC=N2)=O,MFYYOEZMEMEZPJ-UHFFFAOYSA-N
-31314463FCDB476E_DCAB66AC7F296A3D_6029_UN,N(C1=C(C=C2C(=C1)OCO2)Cl)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,QRYKDLKFIPWHJV-UHFFFAOYSA-N
-326C24927EAF64A3_993F824FADB40039_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3)Br,BYOYPDVEBZIWQF-UHFFFAOYSA-N
-35F4C3E6F4BFE4D1_CFAFECE2D0DBC851_6039_UN,CN1CCN(CC1)C2=NC(=CC=N2)COCC3=CC=C(O[S](F)(=O)=O)C=C3,ZLUXMCSGYBRCNO-UHFFFAOYSA-N
-3718CEE10F04478D_2ED2C60344EDA52D_6038_UN,CN(C)CCOC1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,RVCSTUQMICSGFY-UHFFFAOYSA-N
-386DFEE3FD221B8A_25C77541E748DC2C_6038_UN,O(C1CCN(CC1)C(=O)C2=C(C=CC=C2)F)C(CC3=C[NH]C4=C(CC)C=CC=C34)=O,VANWPAMVNKWAPA-UHFFFAOYSA-N
-3958DB9ABE4CAC58_5D296C5DB640DB5A_6029_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,ROIAIWSSXRWPFL-UHFFFAOYSA-N
-3B8B28DA17BA3801_CA0F34B63106D6DD_6038_DP,CC(=O)C2=C(C=C1OCOC1=C2)NC(C4ON=C(C3CNC3)C4)=O,CIYAXYPEFLIVQJ-UHFFFAOYSA-N
-3CCBE47799AC85C7_DA24C3F907B2EDEA_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2CN(CC2)C(=O)C3=CC=C(C=C3)F)C=CC=C4,ZBRUPMRPQHYXJV-UHFFFAOYSA-N
-3D3411BC326CC7F5_EC39EDEF92FF091E_6041_UN,CC1CCN(CC1)C(=O)C2=C(N=CC=C2)NC4CC3=CC=CC(=C3OC4)C,NZBOYSUNRCEFJA-UHFFFAOYSA-N
-3F7522B291820569_5DE089B550DC74B0_6041_DP,CCC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,WNVZUEAUMRXMSY-UHFFFAOYSA-N
-40A75A0C0E60B7DF_5BEA22477AB3B77A_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4CN(C3=NC=C[N]3C)CC4)=O,VDPKSKJTFXCCNY-OMOCHNIRSA-N
-41CBD2226BC05D3C_29ACF61CC98743C0_6038_UN,CN(C)CCOC1=CC(=CC=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,XZKAFNZFKPKFIH-UHFFFAOYSA-N
-4360EFB07590083B_A381F79296D0D636_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(COC3=C(C)C=C(C=C3)Cl)[NH]4)(=O)=O,CKSHWARGJRETAX-UHFFFAOYSA-N
-436E1DE1605797C6_33BEBA22DBC8B238_6041_UN,CCCC(=O)C1=C(C=CC=N1)NC2=C(CCC2(C)C)C#N,WQZMUIREXLACGE-UHFFFAOYSA-N
-46571B5A4F130C20_FA9BE983340A7AFB_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NC4=CC=CC(=C4)CCC(C(C)C)=O,RRKBGXDCNKZCNQ-UHFFFAOYSA-N
-46A0FDA5B531C603_8E9418CD66F8B189_6038_UN,O(C1=C(C=CC=C1)C3=NC2=C(C=CC=C2)S3)C(C5CCN([S](C4=C[N](C)C=C4)(=O)=O)CC5)=O,ZBJYLANUGGXVSK-UHFFFAOYSA-N
-472DE9B1A2778947_FFFE2210A325CA82_6038_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,AABIXNQIINSOFS-UHFFFAOYSA-N
-492793879BEA1924_EEBF5D4CDA2A0DF2_6027_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=C(CC)C=CC=C2)(=O)=O,BUMZXSMECWPUKZ-UHFFFAOYSA-N
-4A38A5C83FB529BE_49C615B652D9AA18_6038_UN,O(CC1=CC=C(C=C1)C#CCF)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,TUUCFKNLQUPZRI-UHFFFAOYSA-N
-4AAA1E409D18FB00_FFB667D0EFBA5ABE_6038_UN,CC1=C2C(=C(C=C1)C)[C@@H](CCO2)NC(C4CN(C3=NC=C[N]3C)CC4)=O,NBKYAJFQMXWTLH-OEMAIJDKSA-N
-4B08449B6897B36F_B94C1736AC3B72CF_6005_UN,Cl[S](=O)(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)Br,LWIOZQGYRMKMGR-UHFFFAOYSA-N
-4BB069D3C2B2782E_B7AB3C4E2244B4B3_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC[S](=O)(=O)C4CCCC4,JOLCQWMRAVVQMF-UHFFFAOYSA-N
-4CB8E3BE600EE175_EABE8960D060D2C5_6029_UN,O=C(C[N]1C=NN=N1)N2CCN(CC2)[S](C3=C(B(O)O)C=CC=N3)(=O)=O,HQGBFSPTMWKBFD-UHFFFAOYSA-N
-4D281255C8965FFD_F6274B34E18F902E_6031_UN,OB(O)CCC(=O)OCC1=C[N](N=N1)C2=C(C(=CC=C2)Cl)Cl,BWJDHTQNVMPETD-UHFFFAOYSA-N
-4D3D6A9F79876EA0_E1255DA6D4DF1695_6003_UN,ONC(=O)C1=C(C=CC=C1)OC2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3,BXWJZEVDJQSRTA-UHFFFAOYSA-N
-4E2129B31B33E884_2901C179A60BDD42_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)[N](N=C3)C4CCC4)=O,JDKKIOMOISEVNT-UHFFFAOYSA-N
-4EB4743400490B3D_82070BB49D76D852_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2F)Br)C=C3,RKKJLEKINLXGRA-UHFFFAOYSA-N
-4FEAFDD2EE77D3BF_383EF18B3E9FE47B_6041_UN,CC(=O)C1=C(C(=CC=C1)NCC2=C[N](N=N2)C3CCC3)C,PAGOUNYNMGLDMO-UHFFFAOYSA-N
-50D51C7CEC60F07D_81818702361EF523_6035_UN,O(C1CCN(CC1)C(=O)C2=C(C=CC=C2)F)C3=C(C(C)=O)C=CC(=C3)N4CCCC4,PURNZSXLGFOAOW-UHFFFAOYSA-N
-539030CE1B86099D_5223FBF6577D083E_6026_UN,[S](=O)(=O)(C1=CC(=C(C=C1)OC2=CC=CC=C2)Br)NC3=C(CCCC3)C#N,TWAGBBMLBXOVAA-UHFFFAOYSA-N
-54D7482B30704C9F_F24EB4D8E93C52C9_6029_UN,O=[P]1(CCN(CC1)[S](C2=C(CCO)C=C(C=C2)F)(=O)=O)C3=CC=CC=C3,ZVPLRMZGJWOGDR-UHFFFAOYSA-N
-54E31A0B8C3D7FAE_4CCF5AEC86CB8F41_6038_UN,C[N]1N=CC(=C1)O[C@H]2[C@H](COC2)NC(C3=C(N)[NH]N=C3)=O,UVFHHQBORYSRQV-VHSXEESVSA-N
-551514C384B11313_1A3E9CF77A0D8F26_6029_UN,N(CC1CC(C1)C2CC2)[S](C3=CC=C(C(C)(C)O)C=C3)(=O)=O,NUKUNDYIDCIUMI-UHFFFAOYSA-N
-551E31C1031E6B4E_979B8948D73CC15D_6038_UN,N(C2=C1OCCC(C1=CC=C2)=O)C(C5=C(N4CCN(CC3=CC=C(OC)C=C3)CC4)N=CC=C5)=O,WCFDXXZHNHXTLP-UHFFFAOYSA-N
-55EBE38E26DF971E_01E8DA741393C7FD_6038_UN,COC1=NC=C(C=N1)CCNC(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,GTWMWYBFFJZDLX-UHFFFAOYSA-N
-56ACAC1C754BFEEE_C9D7996BA6134D92_6039_UN,CC4=CN1C(=NCC(C1)OCC(N3CCN([S](C2=CC(=C(F)C=C2)F)(=O)=O)CC3)=O)C=C4,FKSXDBCKSHRIRV-UHFFFAOYSA-N
-575E4FF043E68236_38C76672AFC8DDBB_6038_UN,N(C1C(CC1)=O)C(CC2=C[NH]C3=C(CC)C=CC=C23)=O,VAHGRORUXYVSKA-UHFFFAOYSA-N
-5942C347614B7CDC_D75AA638D8F24EAA_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(C3CCN(CCC)CC3)=O,KQEBWKXVYZQYCG-UHFFFAOYSA-N
-59512610AF4EBA6D_0749145016E74344_6041_UN,F[S](=O)(=O)C1=CN=C(N=C1)NC2C3=C(OCC2)N=CC=C3,VISMNTZRVHXQRB-UHFFFAOYSA-N
-59AC5D374BC61A55_6FA510587987A036_6038_UN,O(C2=C1C=C(C=C(C1=NC=C2)F)F)C(C3=CC(=C(C)C=C3)N4CCOCC4)=O,CIBDODVMJKYWCR-UHFFFAOYSA-N
-5A4D48DE1CA3B211_8D68815CFB2794E9_6026_UN,FC1=CC(=C(C=C1)[S](=O)(=O)N3CC(CC2=CC=CC(=C2)Br)C3)I,UNCKYOZIOMPFMC-UHFFFAOYSA-N
-5BC0574E6F8AF54E_5D731D2E02021E80_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,XYTKCQHUVXLEJI-UHFFFAOYSA-N
-5BCF9E23D0C1605D_354E92BE985D7075_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,YFGBOULIKZZGNS-UHFFFAOYSA-N
-5E59EE4E396110C3_B82F34CDA4098C0D_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2CN(CC2)C(=O)C3=C(C=CC=C3)F)C=CC=C4,UOVUHAKZLHBJAE-UHFFFAOYSA-N
-600C41371591C398_473433685270258D_6041_UN,FC1=CC(=C(C=C1)NC2(C(N(OC)C)=O)CC2)C3=N[NH]N=N3,DIOGPSHNGVFALU-UHFFFAOYSA-N
-60C9CC4B4C64E748_CEC1B3EDDBBEDE67_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(OC)C(=CC(=C3)C)C,QWUNLIZBZHUIDK-UHFFFAOYSA-N
-60F123C0B75EC706_FC36B73BDB6FB32F_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)NC3=C(CC)[N](N=C3)CCC(C)C,FGDNSCNCUJBRTB-UHFFFAOYSA-N
-628AD1BD17CE23B1_8672CDFBCC59B60D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCCCC2)N[C@@H]4[C@H](C3=CC=C(OC)C=C3)CC4,CTKGKDADMQTSSQ-GOTSBHOMSA-N
-62CC19DC2783B719_A9077E410F361338_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)OC3CC3,GEYJKGRUIGHNOD-UHFFFAOYSA-N
-63CCBCF83B8A278C_13C221E9DC6AC194_6028_UN,CC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,BKMPXFXYYNAVQX-QAQDUYKDSA-N
-6620EDDE9381CCEB_878E69822B047C92_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC([C@@H]3[C@H](N(C)C(CC3)=O)C4=CC=N[N]4C)=O,HXMDDSGBWRBOCM-QLYZIHHJSA-N
-68685AA1945DF1F6_E73AA68556E6540E_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3C2=CC=CC(=C2OCC3)C,VVYSFWAAXZSOLS-UHFFFAOYSA-N
-68E1ACF791953D6E_A80320AA9C77AFD7_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,WTZSYJCANBLQAF-UHFFFAOYSA-N
-6A92830A0A7C4917_E75C76F686D4AED1_6038_UN,N(CCC1=CN=C(C=C1)N2CCC2)C(=O)C3=CN=C(C=C3)N4CCOCC4,BYPCRGYQCMJUBB-UHFFFAOYSA-N
-6B62B1765FA5AD45_32FEBFFA6F98E821_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=NC=C(CO)[NH]3)(=O)=O)C4=C(C=CC=N4)CC5,PQQIDQQOGWYSCH-UHFFFAOYSA-N
-6B711BA759929A1B_E7C3B13C691338AF_6038_UN,CC1C(C(OC1)=O)NC(C=CC2=CC=C(OC)C=C2)=O,ORKIFXLEJFGSFB-UHFFFAOYSA-N
-6B7EB4914C6F7098_CA0A856EC3B9FC94_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NCCC(N3CCN(C)CC3)=O)C,NJMFJWXPMFVPON-UHFFFAOYSA-N
-6F13D5D9A4C03D72_A5F8F8057FCB5D68_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,RLOYWLRQLRZVDV-HDICACEKSA-N
-740F3BA44157BB4A_E0DCEA98190AD216_6027_UN,CCC2CCC(CN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,SUZGFOVQQQFVBH-UHFFFAOYSA-N
-74F1B5F59699F40D_2D3679B0B424C346_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2Cl)Br)C=C3,LYDJHVBODCXGLK-UHFFFAOYSA-N
-7527EFDF87D0B5A3_3A8C6D1C8BC78F15_6029_UN,CC1OC4=C(CN(C1)[S](C3=CC=C(C2(OC)COC2)C=C3)(=O)=O)C=CC=C4,FQZHLASBDVDQNQ-UHFFFAOYSA-N
-7653FF0227226940_F55F7BD53E4F01B0_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)C=CC=C4,KSAVKHCXUYOARQ-CRAIPNDOSA-N
-7684CFCED1156C0C_65383F657A745D4D_6038_UN,CC(C)C(CCNC(CC1=NC=C(CC)[NH]1)=O)N(C)C,MWCAEFYHXNIHIR-UHFFFAOYSA-N
-7688945B4DB82F5B_C154FC3B9B2B058C_6043_UN,C1(=CC(=CC=C1)C2CCCCC2)N[S](C3=CC=CC(=C3)C)(=O)=O,CRGZDDUDNRYFIG-UHFFFAOYSA-N
-77CFDB317D760C32_44E0330709B4A15E_6041_UN,C1(=CN=C(C=C1)C2=N[NH]N=C2)N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,RYHQGCXUHONSCK-AULLONERSA-N
-79A06181F050DBF8_EC1CE6A9C2C9B40C_6038_DP,O(C1=CC2=C(C=C1)C=CC(=N2)F)C(C4=C(CC3CCNCC3)C=CC=C4)=O,GEYUYAJJILAUEE-UHFFFAOYSA-N
-79CCE5337906B2A6_41CEC9D299B35035_6038_UN,CC[N]2C=C1C=CC(=CC1=N2)NC([C@@H]4[C@@H](C3=C(C)[N](N=C3)C)N(C(C4)=O)C5CC5)=O,NNFBLNKHIHTOLI-UWJYYQICSA-N
-7A59CC82336B26B4_2B6E67DD42C5F96C_6031_UN,O(C(=O)CC2=NC1=C(C=CC=C1)S2)CC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,NMSCZEYSMWLJCJ-UHFFFAOYSA-N
-7AE7C12166A5986C_B7F4D34B383B6767_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,BSYJMGRNJKIPNY-NRFANRHFSA-N
-7B2EBDD297DC473F_9E2C73A0A5C608D5_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC[S](C(C)(C)C)=O,VBZKIPFOLXZKTD-UHFFFAOYSA-N
-7D47A69A0DA4C87A_E2EDE5B828C1D36C_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3CCN(CC3)C4=NC=CN=C4,LZFQPQJQEAXEJS-UHFFFAOYSA-N
-7E522758ECE083DF_13D9B1DAE23C24A2_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC(=C(CC)C=C3)C,BCAIHICIXHYEDH-UHFFFAOYSA-N
-7E5BEF08F962FBB8_7E65D6185CF02905_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)NC3=CC=CC(=C3)N4CC(C)(C)C4=O,NFXTYLAHYKPDIU-UHFFFAOYSA-N
-7E781092A75046E2_DB7988FF1960521F_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4ON=C(C3=CC=C(C)C=C3)C4)=O,ORZAPHOMFSDRKR-UHFFFAOYSA-N
-7E7CFD0A911E48D5_8AD836EFD3436535_6041_DP,CN(CC1CCNC1)C2=NC(=NC=N2)NCCC3=CC=C([Si](C)(C)C)C=C3,ZUCQJSQNHOOMIE-UHFFFAOYSA-N
-80F83E779008EC3C_C82E448C918DF3A0_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(OC)C=C3)O4)(=O)=O,RWQNRPKXCGEKIV-UHFFFAOYSA-N
-80F83E779008EC3C_E070A9466B106ED3_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(OC)C=C3)O4)(=O)=O,RWQNRPKXCGEKIV-UHFFFAOYSA-N
-822277B5AAE31E21_5E9BAF6CF133404D_6041_UN,CC1CCN(CC1)C(=O)C2=C(N=CC=C2)NC4C3=CC=CC(=C3OCC4)C,QEGKNGBODZNNBO-UHFFFAOYSA-N
-82274DAF3BA7553D_B8394E680326F89D_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCC(N3CCN(C(C)=O)CC3)=O)C,DJGHMSUNBHUZDV-UHFFFAOYSA-N
-846AC3F8A1E34BDD_9DE4CF783C299737_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC([C@@H]3[C@H](N(C)C(C3)=O)C4=C([N](N=C4)C)C)=O,LKNAUPXAZHKHMY-ZRHIXDKOSA-N
-84D392BE73BBC3B6_A8346BAB13774DC2_6005_UN,F[S](=O)(=O)C1=C(C=CC=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,RVYAYBOAYNCRDS-UHFFFAOYSA-N
-8501C02210E9415D_1AA589510079B83E_6038_UN,C[C@H](NC(CCN(C)CCC(C)(C)C)=O)C1=NC=C[NH]1,JEQSTYYDZCNIEE-LBPRGKRZSA-N
-87E4A501527156F6_B43092BC697747DB_6043_UN,C1(=CC=C(C=C1)C2CCOCC2)N[S](C3=CC=CC(=C3)C)(=O)=O,JWJDFCQYUIAWHE-UHFFFAOYSA-N
-8A6CFBCB50540226_BEAC72227CAD08C0_6041_UN,CN(C)C1=NC4=C(C(=N1)N[C@H]2[C@@H](COC2)C(=O)C3=CC=CC=C3)C=CC=C4,PUSHQJCKFLYIIT-SJLPKXTDSA-N
-8AD63F9A624D1EAA_45951777C6BBE8A7_6038_UN,N(CC1=CC=C(C=C1)C2CC2)C(=O)C3=CN=C(N=C3)N4CCOCC4,KMMWIBYOJMRJRG-UHFFFAOYSA-N
-8B03667B15A62A06_B486C6E62DA217AE_6041_UN,O=[N](=O)C1=C(N=C[NH]1)NC2CC(C)(C)OC3=C2C=CC(=C3)F,ODZSWNNSFZYZPD-UHFFFAOYSA-N
-8E605CDE9066429D_1E5F99086A2ECCAE_6038_UN,CC2=C(C(=C1C=C(C=CC1=N2)F)OC(=O)C3=CC=C(C=C3)N4CCCCC4)C,HAJRIMKWGWUOLX-UHFFFAOYSA-N
-91C643A85CC251AA_79536E6357064409_6041_UN,CC1=N[NH]C(=C1NC2=CC(=CC(=C2Cl)Cl)C(N3CCC(CN(C)C)CC3)=O)C,AESXFBBGNWMYNS-UHFFFAOYSA-N
-93FFABA1CC16F2C6_1143387F2C3A118D_6005_UN,Cl[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,BYCWYGULLCPLLQ-UHFFFAOYSA-N
-93FFABA1CC16F2C6_BCA430FE04FE3979_6004_UN,Cl[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,BYCWYGULLCPLLQ-UHFFFAOYSA-N
-94604996BA84A1FB_3B1631D1FE5B3765_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=CC=C(N(CC)CC)C=C2,MBEMRBPDOHPXNM-UHFFFAOYSA-N
-96384B189ED6C532_711B9B43C3889B59_6041_UN,O=[N](=O)C1=NC(=CC=C1)NC2=C(CC(C)(C)CC2)C#N,YHLJUAGMAJBKSX-UHFFFAOYSA-N
-9727EFECA14758CE_892C86E3F87B1F25_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC3C2=CC=CC(=C2OCC3)OC)C4CC4,MDVZXBJPMHQQBD-UHFFFAOYSA-N
-9B7CF4E30CB863B7_474AA6DBD3A91170_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O,BPOJEOQWRYUVNW-ZDUSSCGKSA-N
-9CB7143720B8111E_5A8C58840292291E_6003_UN,O(C2=C1CCCC(C1=CC=C2)=O)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,DVXBCJOSDDNGDX-UHFFFAOYSA-N
-9DB61CCCE92D291D_9C4D03518B4E6D58_6038_UN,CCN1C(OC(C1)CNC(C2=N[NH]C(=C2)C3=C[N](C)C=C3)=O)=O,VUCFPKRSAXVHSC-UHFFFAOYSA-N
-9F0D68A06107ADC7_2651D6650401FDAC_6041_UN,CC(=O)C1=C(C=C(C=C1)N2CCOCC2)NC4=C(C)N=C3C(=CC=CC3=C4)F,IQOWWAJLJUFJLA-UHFFFAOYSA-N
-A337E16A535AD793_232B04D5947C4D54_6029_UN,O=[N](=O)C2=C1CCCN(C1=C(C=C2)Cl)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,XHUMUJWEHNSATM-UHFFFAOYSA-N
-A4B7EF461AD6DAEA_269918A33463F75C_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)N=C(N=C3)C4CC4)=O,PNXHKTLGDQTMAY-UHFFFAOYSA-N
-A4DBD02C975878A2_89DD771392D93422_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(N2CCCC2)[N]3C4=CC(=CC=C4)Cl)(=O)=O,HXPTYSKMXBUKHX-UHFFFAOYSA-N
-A504802E8832EEA2_1799CF24AB5E150C_6041_UN,CC[N]1C=NC2=C1N=CN=C2NC4=CC=C(CN(C(C)=O)C3CC3)C=C4,OTDDQUIWUHDDDS-UHFFFAOYSA-N
-A53041115E577942_F731827079253EEC_6038_UN,CCC(C)C(NC(=O)C1=CC=C(C#N)S1)C3=NC2=C(C=CC=C2)[NH]3,NCAPTNFGNDQGOJ-UHFFFAOYSA-N
-A702C3301FDC9FFF_F1A7FC600FB7129C_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC5=CC=C([S](N4CCCC(C)C4)(=O)=O)C=C5,XTHPWKQPZYATEP-UHFFFAOYSA-N
-A749A1DE5C24ABEA_D30D4B437D209EA5_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC#CC3=CC=CC(=C3)OC,TZLGFGLHLXXUND-UHFFFAOYSA-N
-A814FA0A71A0CE0F_A8D7ECC972DE7477_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3=C(SC)C=CC=C3C,SONKFTYKYGORNJ-UHFFFAOYSA-N
-A8E889DE35C940C0_24522C768073FC58_6041_DP,CN(C1CCNCC1)C2=NC(=NC=N2)NCC3=CC=C([Si](C)(C)C)C=C3,IACRRRMNAHXXBJ-UHFFFAOYSA-N
-AA94D279075FFF4A_567FBA535984C5A2_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCNC2=O)Cl)C3=C(C)OCC3=O,VIKXKLUOWGUDOX-UHFFFAOYSA-N
-AEDECE378443F232_95EF6D5A3959893A_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3=C(CC(C)(C)CC3)C#N,BAIKAVGXCCZAKR-UHFFFAOYSA-N
-AF2959BD4819D0E4_F6F5EB2416A137CA_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C4CN(C3=NC=C[N]3C)CC4)=O,VDPKSKJTFXCCNY-LWKPJOBUSA-N
-AF52683F553E9C7F_61752114071FFE6A_6038_DP,CC1=NC(=CS1)C2=CC=C(C=C2)OC(C3COC=CN3)=O,XYBRATPUPVUSIR-UHFFFAOYSA-N
-B362AB46EFA5A2BB_B14018506BB7862E_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=C(C=C(OC)C=C2)F,DRUZMQJRJGUJDI-UHFFFAOYSA-N
-B47BE2B034B22C09_7FBA89F61DC2DA3E_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4(C3=CC(=NO3)C)CC4)=O,BSFPEHPZDGHKQH-UHFFFAOYSA-N
-B4FB94D3156CE82B_F0D27ABF55F6B254_6038_UN,N(CC1=CC=C(C#N)S1)C(C2=CC(=C[NH]2)CC(C)C)=O,LFWXVFMAKNGQAL-UHFFFAOYSA-N
-B534509FE7C5020F_2F14EE14378EF863_6041_DP,CC(=O)CC1=CC(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3,JIGOOKCOBYFRGX-UHFFFAOYSA-N
-B5401856C8EB586D_6F889475B7799DE5_6038_UN,COCC(NC(C1(C(N(C)C)=O)CC1)=O)C2=NN=N[NH]2,COXDIWROXQGTLU-UHFFFAOYSA-N
-B7864FED146F0151_8B2DAE52432F6F19_6029_UN,N(N1C(CC1)=O)[S](C2=CC=CC(=C2)OC3=C(C(O)=O)C=CC=N3)(=O)=O,UMOSSIOYTCBWLY-UHFFFAOYSA-N
-B854164940B03713_163D21512FD62317_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@@H]3C[C@@H](C2=C(OC)C=CC=C2)C3,JHQKZCHIRCSKOS-QGPMSJSTSA-N
-B998D195D2B95F49_E5E1FC0EBA273DFB_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)NC3=C(CCC3(C)C)C#N,QFKIHNDWWCCQJF-UHFFFAOYSA-N
-BB432C34ACB162ED_86EF763E3700E2A3_6038_DP,CC1=C(C=C(C=C1)C2=CC=C(C#N)S2)NC(C4ON=C(C3CNC3)C4)=O,CTAKREQUHOMLFA-UHFFFAOYSA-N
-BC15FA1128E298BC_683273F604FEFD87_6038_UN,CN(CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CC=C(C)C,AYLBUXDWTKHRSQ-UHFFFAOYSA-N
-BC226264DCFC7654_2F50295600851BE6_6006_DP,CN(C1CCNCC1)C2=NC(=NC=N2)C3=CC=C([Si](C)(C)C)C=C3,TVKOUBDSLQELNG-UHFFFAOYSA-N
-BC2D9E932011D21E_AA6FAA5F1A02B080_6041_UN,O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)NC3=C(CC)[N](N=C3)CC(C)C,LSSXUHPRLIISKF-UHFFFAOYSA-N
-BD4040D63687F99C_A21D14A9F7EB0C72_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=CC=C(C=C3)OC4=C(N=CC=N4)C#N,NGEQAKXLRYXJTH-UHFFFAOYSA-N
-BDE9DEFEA12C38EF_6A5AB11C788D8AFB_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NCC4=C(C[S](C)(=O)=O)C=CC=C4,VGKCCQHZENTTJI-UHFFFAOYSA-N
-BDFFC1C4DAE8C743_0E38849D2509A716_6038_UN,N(CC1=C[N](=CC=C1)=O)C(C3CCN(C2=NN=C(N)[NH]2)CC3)=O,RMMYLHRFRNJDMV-UHFFFAOYSA-N
-BE09CF6EE0B73099_EF42E32D573266B0_6005_UN,F[S](=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,LUFWDIGOXXYDLR-UHFFFAOYSA-N
-BF203B82936D0806_7DC208A4E1824BDC_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C=CC(=C4)C(N(C)C)=O)F,DWRZLQUOLRFXOA-UHFFFAOYSA-N
-C0721DE43C65E406_7944974193841B4C_6041_UN,O=[N](=O)C2=C1C=CN=C(C1=CC=C2)NC3=C(CC(C)(C)CC3)C#N,OHQRIUGPHVNBCC-UHFFFAOYSA-N
-C0CE8C255ED4FE95_0DEA32548687C577_6038_UN,CCN1CCN(CC1)C2=NC=C(C=C2)CNC(C3(CC)CC3)=O,NHBHVMUPFWFAFC-UHFFFAOYSA-N
-C10CBDDA68DABDB9_4E3BE2ED1197D171_6038_UN,N(C1=CC(=CC=C1)N2CCC2=O)C(C=CC3=C(C)C=CN=C3)=O,NGILJTLBFRZOJV-UHFFFAOYSA-N
-C20DE1E3BB90C397_75CF0411D14D2066_6041_UN,C2(=C1N=N[N](C1=NC=N2)CC3=CC=CC=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,NCRADGSUHPOYON-UHFFFAOYSA-N
-C3B0BFA678BCD485_50E2123061D2C06B_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NCC3=CC=C(C[S](N(C)C)(=O)=O)C=C3,RVFLWOCOEPPEFG-UHFFFAOYSA-N
-C46DD9C38C564D68_661462B829AFDE53_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(CC)C=CC=C2F,IMXGLXADIFXQFA-UHFFFAOYSA-N
-C4ACE7E0DF1F7869_B6738F3CAC7F0580_6005_UN,Cl[S](=O)(=O)C1=CC(=CC=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,XYDRZGHUHLFSES-UHFFFAOYSA-N
-C56049FEDE008E75_C47524DAE7B0A752_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CC(C)(C)CC2)C#N)C=N[NH]3,KRKKDVFRUFYTGL-UHFFFAOYSA-N
-C8B2C0F825A7666E_D2CCD57AC0D01E7A_6038_UN,CC(NC(C1=C[N](CC(N(C)C)=O)N=N1)=O)CCC(=C)C,OKEHXZPKNNIETF-UHFFFAOYSA-N
-CA2BFE66C8547AE8_923C0EC12ADE499D_6038_UN,CCCC(NC(COC1=CC=CC(=C1)OCC(C)C)=O)C2=NN=N[NH]2,SQAJNBBODOZTMO-UHFFFAOYSA-N
-CAA42637B83D50A1_7AA0E0EF6B66A1D8_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,DLAPEXLRLOBUHP-UHFFFAOYSA-N
-CD0CDE4D1D003E1C_49F0B00B8269B429_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C4CCCC(O)C4,KMFQCUXVXZARBT-UHFFFAOYSA-N
-CD16C5B085E7EE34_0398858745068ECD_6029_UN,CC1=CC=C(C=C1)C4CCC(N[S](C2=CC(=CC=C2)OC3CC3)(=O)=O)CC4,SAHBANFGUXQOKY-UHFFFAOYSA-N
-CEF62A056367C38E_F6BB15531D994846_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C4=C(C3(C)CC3)C=CC=C4)(=O)=O,VGNRBUDOUMIUNJ-UHFFFAOYSA-N
-D2D7894B56E51CAD_EAD5FB6219F3F2BF_6038_UN,CC2=C1OCC[C@H](C1=CC=C2)OC(C3=C(C(C)C)N=NS3)=O,GLPWXXYTPKFSAK-GFCCVEGCSA-N
-D3AEB6DA4BEAA2E5_13CED87E77E8649D_6041_UN,OC(=O)C2=C1OCCOC1=CC(=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,BSAOBTSFASBTHI-UHFFFAOYSA-N
-D468796CEF1CE5DB_0C0D3896098B8967_6038_UN,CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OC(C4=C(N(C)C3=NN=N[N]3C4)C)=O,HRKVKWDXPGNFDE-UHFFFAOYSA-N
-D47E6F90E372677A_8033F1CF1ED4FC3E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CCOCC2)N[C@H]4C[C@@H](C3=CC=C(OC)C=C3)C4,OTFAYIDXGZTMSR-HDICACEKSA-N
-D514EEC90535D852_8DEA7D622B04BB75_6005_UN,F[S](=O)(=O)C1=C(C=CC=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F,MYTUXSKMMOSYBV-UHFFFAOYSA-N
-D5D3E03A86E02418_2E0B8E68A04B836A_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)[N](N=N3)C4CCNCC4)=O,BJKOQUSZBIUPRK-UHFFFAOYSA-N
-D617C316032331E3_E9D9433E19921D33_6005_UN,F[S](=O)(=O)C1=CC(=CC=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,HUFMKQKQCSEKFH-UHFFFAOYSA-N
-D704C0A63E8ACC00_763FA417A5CFAE31_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3,MEPVVQLTZTXPBE-ZDUSSCGKSA-N
-D9170DADDB0BD11E_3A6A9FA5A2CFDD25_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC3=CC=C(C[S](C)(=O)=O)C=C3,GUXFJTARZBRAFR-UHFFFAOYSA-N
-D9A1D3DCD1BA8035_966253EEECBC2C85_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC(COC)C3=NN=N[NH]3,GLFBCBUZAQODJT-UHFFFAOYSA-N
-D9C7A97726AECD5B_1CAC2289FFB1E29C_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3(CC(N(C)C)=O)COC3,HTFPXRWKRJSOJQ-UHFFFAOYSA-N
-DA0EA1ED82C5B20F_D9AD468876AEF7A3_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(=C(C=C3)C4CC4)C,YOLFXHLIOCPUGN-UHFFFAOYSA-N
-DA755A6604DBB929_AA860FD08C26BC25_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NCC3(C(OC)=O)COC3,YMZANKDLOPXOHZ-UHFFFAOYSA-N
-DDBD85F3274449EB_0981F8ECDC1EDC9E_6041_DP,CC(=O)CC1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,VWXCWPCYEAMOGB-UHFFFAOYSA-N
-DE68FD8A48AFC241_BD4E5164F4BE5E1F_6038_UN,CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(C3(CCC)CC3)=O,ZPRIVJFRLAHYBZ-UHFFFAOYSA-N
-E1B4B19CE6DA0698_085075EFE6BB4E7F_6038_UN,O(C1=CC=C(C=C1)N2C(=O)NNC2=O)C(C3(N(C)C)CC3)=O,YYORLYZDEPQGNC-UHFFFAOYSA-N
-E1B5EE7E693D972B_1FC527E7C023C383_6026_UN,FC1=CC(=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)I,YRDZDSXOWFWMKB-UHFFFAOYSA-N
-E49E378FDC2E499A_66C6A814D8990D6C_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,BRRGUTNMNDLSNI-UHFFFAOYSA-N
-E4C05C5C658DA19E_763757A50369350E_6041_UN,C1(=CC=C(C=C1)C(=N)N2CCCC2)NC3=C(C)C=C(C=C3)C5=NC4=C(C=CC(=C4)F)S5,KVMKPAWWUXOPAJ-UHFFFAOYSA-N
-E60C021950D75203_2D7DB7508D6F76CA_6041_UN,C1(=NC=CC(=C1)[S](=O)(=O)N2CCCC2)NC4C3=CC=CC(=C3OCC4)C,VBILDMXQYMMZPT-UHFFFAOYSA-N
-E73C9AB60B9D875D_E7172988A53FC7B2_6038_UN,N(C1C2=C(OCCC1)C=CC(=C2)F)C(C3=CC(=NC=C3)N4CCN(C)CC4)=O,OKIFXHQSCLKYNZ-UHFFFAOYSA-N
-E755AC27E691DD87_878CA5612AD8D318_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C(C)(C)C3CC3)Cl,WEOURSYDUMZMCC-UHFFFAOYSA-N
-E8B86D92346596E4_DD4FCFEAB519D80A_6038_UN,CCC2=NC1=C(C=CC=C1)[N]2CCNC(C=C3CN(C)CC3)=O,JXBZFCCPAGYZCI-UHFFFAOYSA-N
-ECA23B0E37AF5E32_A25AA2E5D18668A4_6041_UN,FC1=C(C=CC(=C1)C2CC2)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,YWLRTRJZGROIHL-UHFFFAOYSA-N
-ED97E16F2096E0A3_E51AADC9D739CD70_6041_UN,CC2=C(C(=C1C=CC=CC1=N2)NC4=C(C(N3CCC(C)CC3)=O)C=CC=C4)C,UUIRVXXNHSBKOJ-UHFFFAOYSA-N
-EE4124A7B61F9A89_CF4CB2AF52A988EC_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4CCN(C(C3=CC=C(CC)O3)=O)CC4)=O,UOGUHFVRWNHAMY-UHFFFAOYSA-N
-EF69CCEF4E365295_97F81AF07B10D1FE_6039_UN,O(C1=C(C=CC=C1)C(=O)CC2=NN=N[NH]2)CC3OC(=C(C(OC)=O)C3)C,NNPCRGOLPLQCBL-UHFFFAOYSA-N
-F2FB48FF446B7157_C37267A7915F5776_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NC(CC(C)C)C(=O)N(C)C,DTSASVHORKCAQE-UHFFFAOYSA-N
-F3F89F95EF5091DC_2BC7978549043752_6026_UN,[S](=O)(=O)(C2=C1N=[S]=NC1=CC=C2)NN3C(N(OC)CC3)=O,CQONGASNBSRAJW-UHFFFAOYSA-N
-F472C729A949B50B_05D6647F02EE58DD_6038_DP,N1CC2(C1)C(OC(C2)=O)CNC(C4=CC3=C(C(=CO3)C(OC)=O)[NH]4)=O,IRLMYDVPHFMZJY-UHFFFAOYSA-N
-F50C2CC4B6C6DB1F_0BE8AD01C19F3F63_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC=C(N3CCN(C)C3=O)C=C4)(=O)=O,GMZKAFNRCMMWMC-UHFFFAOYSA-N
-F5E53CDDF9229059_578FFA8E65567E67_6038_UN,CN(C)C3=NN=C(CNC(C[C@H](C)C1=CC2=C(C=C1)OCO2)=O)[NH]3,DNMMHLKBXYJITK-JTQLQIEISA-N
-F6E968994E6F2B7A_1338BEAEBCB26936_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC3=C(C)C=CC(=C3)C4=CC=C(C=C4)C#N,AIGZMGGPHAGYHX-UHFFFAOYSA-N
-F797690AD5DCC9C5_44600F80E1D828AD_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)N3CC(CC2=CC=CC(=C2)Br)C3)I,NNVDGMGMXQBPMR-UHFFFAOYSA-N
-F8DC956A21D0744E_C8D3360BCB89BF63_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CN=C(C=C3)C4CC4)(=O)=O,DVASOPBBLFGTGI-UHFFFAOYSA-N
-FA6BF5F008F59C50_59B13817EEEE107C_6038_UN,CN(C)C2=NN=C(CNC(C1(C(OCC)=O)CC=CC1)=O)[NH]2,IQMOMAHOZSLQRG-UHFFFAOYSA-N
-FB7556F5AA134743_855D3B6DFB092D26_6041_UN,CN(C)C1=NC(=NC(=N1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)N(C)C,GKEGNYLNQQKJTG-ZDUSSCGKSA-N
-FC308D24688DB1F9_8F8FA8F73F4969C0_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,MTSBMODDROECRV-UHFFFAOYSA-N
-FC9096470F6D9A2A_4EAE2F9FE4477C36_6038_UN,O(C1CC=CC1)C(=O)C3=C2C(NNC2=NC(=C3)C4=CC=CC=C4)=O,FWPLJPQZHJIKGX-UHFFFAOYSA-N
-FD061AA1FE962ED7_B6DEEB51CFA29293_6038_UN,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC([C@@H]3CN(C)CC3)=O,DBHROGVROQYDRF-LBPRGKRZSA-N
-FD1AC7EB83C7B91A_B15EA3E7A81B0A98_2875_UN,CN3CCN(CC[N]1N=NC(=C1)C(C2=CC=C(C(C)(C)C)C=C2)=O)CC3,ZLAKKEBCIWHRAX-UHFFFAOYSA-N
-FD25CA45E3B8FC64_870BDB43D6185966_6035_UN,O(C1(CCNCC1)C2=CC(=CC=C2)Br)C3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,VKIIDNONFSXSTH-UHFFFAOYSA-N
-FE4F7EC80C06AAF7_473C2B20FD87E1ED_6038_UN,CC2=C(C(=C1C=C(C=CC1=N2)F)OC(=O)C3=CC(=CC=C3)N4CCCC4)C,YXFHGCPKTNEYDL-UHFFFAOYSA-N
-FE7C0579A03FADF4_B330145368F1AC8D_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C4CN(C3=NC=C[N]3C)CC4)=O,NBKYAJFQMXWTLH-LYKKTTPLSA-N
-FFE5F00BDEB7D9FB_9C2F2A0CAE192630_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NCC3(C(OC)=O)COC3,LFLZMZRNWZWRDD-UHFFFAOYSA-N
-rxn:1:43736:11113,Cc1cc(C)c(C#CCn2cc(CNC(=O)C3(C(=O)O)CCCC3)nn2)c([N+](=O)[O-])c1,IVAYQOXGKQRJPS-UHFFFAOYSA-N
-rxn:1:46626:5656,CN1CCN(c2ccc(C=CCCn3cc(C4(Oc5ccc([N+](=O)[O-])cc5)CCCC4)nn3)cc2)CC1,QZYMYMGBIVZLQM-UHFFFAOYSA-N
-rxn:1:52456:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(C4CCCN(Cc5cc(C(=O)O)no5)C4)nn3)cc2)CC1,SHHBRGUTZOLLHF-UHFFFAOYSA-N
-rxn:1:59715:788,O=C(c1ccc([N+](=O)[O-])o1)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc5c(c4)OCO5)C3=O)nn2)CC1,WYYAZRJFGRFYID-UHFFFAOYSA-N
-rxn:1:60314:8005,CCOc1ncccc1C(=O)N1CCC(n2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)nn2)CC1,MACSZOXCTVTUIQ-UHFFFAOYSA-N
-rxn:1:62985:25343,CCC(=O)c1ccc(N2CC(Cn3cc(C4CC(=O)N(c5ccc(OC)c(I)c5)C4)nn3)CC2=O)cc1,MNWHCWRYUMQTDX-UHFFFAOYSA-N
-rxn:1:63081:3526,CN1CCN(c2ccc(N3CC(Cn4cc(COc5c(C=O)cc(Cl)cc5[N+](=O)[O-])nn4)CC3=O)nc2)CC1,GSQHZSGQJUGFIW-UHFFFAOYSA-N
-rxn:1:63082:800,CN1CCN(c2ccccc2N2CC(Cn3cc(COc4ncc(Br)cc4[N+](=O)[O-])nn3)CC2=O)CC1,NKPDIVYOPSDEQG-UHFFFAOYSA-N
-rxn:1:63158:27467,COC(=O)c1cccc(N2CC(Cn3cc(C4CC(=O)N(c5ncc(B(O)O)cn5)C4)nn3)CC2=O)c1N,KSAPRPGWNMOYJR-UHFFFAOYSA-N
-rxn:1:63277:6404,COc1cc(Br)c(N2CC(Cn3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)CC2=O)c([N+](=O)[O-])c1,YGZIXGXWZYCQNN-UHFFFAOYSA-N
-rxn:1:63612:5652,COc1ccc(C)c(N2CC(Cn3cc(C4(Oc5cccc([N+](=O)[O-])c5)CCCCC4)nn3)CC2=O)c1,OHGOUILQHLTBJG-UHFFFAOYSA-N
-rxn:1:63714:5652,Cc1ccc(C)c(CN2CC(Cn3cc(C4(Oc5cccc([N+](=O)[O-])c5)CCCCC4)nn3)CC2=O)c1,VMFXZARPCSJOKH-UHFFFAOYSA-N
-rxn:2:116102:145218,CCC(NC1CCC(c2nc(C3CCCC3)c(C)[nH]2)CC1)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1,YUAAVPGQUNGOSP-UHFFFAOYSA-N
-rxn:2:140382:153335,CCS(=O)(=O)c1ccc(C(Nc2cccc(C3CCC(C)(C)CC3)c2)C2CCCC2)cc1,CWZQVFIMWMURGA-UHFFFAOYSA-N
-rxn:2:87205:160422,Cc1ccc(N2CCN(C)CC(C)(C)C2)cc1NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1,VPTPDQCKKRNRGC-UHFFFAOYSA-N
-007C8E0BF68AF73E_804A8C8A9156BCCD_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(N(C)C=N2)=O)=O)C=CC=C3,JFVPCROZVMQUMA-ZYHUDNBSSA-N
-02E0D1910798179E_C13FCD61EF843AFB_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C=C(C=C2)Br)C3=N[NH]N=N3,VTLPIJKORGQPLX-UHFFFAOYSA-N
-037CB36D8BE28C4E_11CF295D6F0F7321_6039_UN,O(CC1=CC=C(C=C1)C2(F)COC2)CC3=CC=C([S](Cl)(=O)=O)C=C3,DHFOGPWEDBYQKW-UHFFFAOYSA-N
-04A5B2E00DBD3150_4F94D58238E4156C_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(CC)C=CC=N3)(=O)=O,JLRMIBKLNILCKR-UHFFFAOYSA-N
-0573522B4578FE7A_74528886EA9D16C9_6031_UN,O(C(=O)C2=CN1C(=NCC1)C=C2)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,MWACAQGWXPCJET-UHFFFAOYSA-N
-05767EC35512C835_400B10A48C8C2FF1_6003_UN,CC3=C(OC2=CC=C(C(N1CCN(C)CC1)=O)C(=C2)C)COC3=O,AKGPWLOIDORQIR-UHFFFAOYSA-N
-0759193938846E12_94550EE9C48AEA32_6041_UN,CCOC(=O)CC(=O)C1=CC=C(S1)NC2=C[N](C)N=C2C(=O)N3CCC3,ZXIPFRASEWGADX-UHFFFAOYSA-N
-077DAB0D7BC6EF37_4B397FF8ED450E47_6036_UN,C(CC#CBr)N([S](C1=CC=CC(=C1)N)(=O)=O)C2=NCCC2,LVMMKBOGPGOMHD-UHFFFAOYSA-N
-0948E5971A73FDF7_A605E505D8D0FF1A_6041_UN,CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F)C,XOKJQJWNVKKZOE-HXUWFJFHSA-N
-0D44E91238EC0373_4DAA6C74707424DE_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C=C(OC)C=C2)C)=O)C=CC=C3,WDNLEGRGWCPJSA-CXAGYDPISA-N
-10B867BCA3179CB5_669227A2391E65F6_6041_UN,CC1=CC2=C(C=C1)N=CN=C2NCC3([S](C)(=O)=O)CCOCC3,OCVTVABVLNENOE-UHFFFAOYSA-N
-12C7E369F519EC01_D2D2084EA7462C1B_6034_UN,CCC1(C)CC(=O)N(C1=O)CC2=CC=C(CN(C)C)C=C2,QTSVVMCJRABMRV-UHFFFAOYSA-N
-13B496C3C4968E59_E47A2CB7EF8BBA1B_6003_UN,CCC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)CC2=CC=CC=C2,LULSUVFCNUHXOO-UHFFFAOYSA-N
-14399E7D97870487_7E40D4C0336006EC_6041_UN,CN1CCN(CC1)C2=C(C=C(C(=C2)F)Br)NC3=C([NH]N=C3C)C,ZUOIQBFYQVEEIO-UHFFFAOYSA-N
-14F022DAFC5548AF_939799D7424C0683_6028_UN,N(CC1(CCCC1)C2=CC=C(C=C2)F)[S](C3=CN=C(C)C=C3)(=O)=O,PNJANSUBGKCSNN-UHFFFAOYSA-N
-15A85F132415E0E8_463D205F5A8A1F66_7022_DP,C1(=CC(=CC(=C1)Cl)C#N)NC2=C([N](N=C2C)C)C3CNC3,ZPWHDVUDASBWKK-UHFFFAOYSA-N
-163E9393A4A5C21C_6A49A155246EF3B8_6035_UN,CC2=C(COC1=C(C[S](C)(=O)=O)C=CC=C1)CCCC2,MLXQUFPWISGWSE-UHFFFAOYSA-N
-16C84D776AE0C426_66A7E74C23D60363_6041_UN,CC2=C[N]1N=C(SC1=N2)N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,OSINAOIOGCXOIU-UONOGXRCSA-N
-181591798BF4149B_813EF985CA11289C_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3C=C(C)CCC3,WAKPFLIKSSXSHY-UHFFFAOYSA-N
-1A0B25397F1153DB_CA81D7D354198B2C_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NCC3(C[S](C)(=O)=O)CCOCC3,ZVDRYTWBDKRLBV-UHFFFAOYSA-N
-1B2F349D544A2D0F_07EAC1DFEF966763_6041_UN,C2(=C1N=C[N](C1=CC=N2)CC3=CC=CC=C3)NCC4(C[S](C)(=O)=O)CCC4,HMFWESCNQYGACH-UHFFFAOYSA-N
-1B3D7F83DBC8DF9B_9C59AA991B42CCFF_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)F)[S](C3=CN=C(C)C=C3)(=O)=O,NRJXYIXRSFCRCK-UHFFFAOYSA-N
-1D77660DD1AD9408_46B5872E0FE8F6FA_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NC=C(C)C=C2)=O)C=CC=C3,LJESYEKWPGLGHM-IUODEOHRSA-N
-1FA84E383BF808C6_1F9B0CD0AD149547_6034_UN,BrC1=CN(C(=O)C2=C1N=CN=C2)CC(COC)(C)CN,QWYVYBDBBPLOFA-UHFFFAOYSA-N
-1FFDB71794827DA7_02A28D2DA01A6D14_2875_UN,COC1=CC(=CC=C1)C2(CCC2)[N]3N=NC(=C3)C4=C(C(C)=O)C=CC=C4,UQFWREUZQLZLDV-UHFFFAOYSA-N
-2044237D64AD8F88_AF09138DBBC8A7C0_6003_UN,CC1=NC4=C(C(=C1)N3CCC(OC2=CC=C([S](CCCl)(=O)=O)C=C2)CC3)C=CC=C4,TWALMNWZVFVNSC-UHFFFAOYSA-N
-20EE259E28F0134B_35F3922DEF70BF31_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C5=CN=CC=C5,SEIOSGCMDFIIGV-UHFFFAOYSA-N
-216C8A94F3B64C78_EB58DEA20F8A1DE8_6004_UN,NC1=C(C=C(C=N1)[N](=O)=O)C2=CC(=C(C=C2Cl)C3CC3)C,JVTNYGHNPVMPKT-UHFFFAOYSA-N
-2272B169E1AB3D54_32E4970DB7430CD1_6034_UN,FC1=CC=C(C=C1)C2=CSC(=N2)C3=NN=CN3C4=C(CC)CCC4=O,RPZXKECTUCCDGR-UHFFFAOYSA-N
-267385E12B98ECFD_8083A95B96C5F115_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NCCC3(C[S](C)(=O)=O)CC3,REPFRMKRLHLTID-UHFFFAOYSA-N
-26A268AB97260DF2_7F8BF01B9559FA7B_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,FGAWHSUKWCXYCA-UHFFFAOYSA-N
-26A268AB97260DF2_AEB7FC9E5ED23003_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,FGAWHSUKWCXYCA-UHFFFAOYSA-N
-272DE87B40B155B4_36E6A38B318A6328_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3=CC(=C(N2CCN(C)CC2)C=C3)F)=O)C=CC=C4,ATTKSCKJXSYHEH-DNVCBOLYSA-N
-28EEC8040E306042_C65382650525CAF4_6003_UN,O(C1=CC(=CC=C1)N2CCC2=O)C4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,QZQSVYNQQHFSFA-UHFFFAOYSA-N
-29A1AF239D3C8DA7_D7FA536E70B7F100_6038_UN,N(CC1=CC(=C(C=C1)N2CCOCC2)F)C(C3=CN=C(N)N=C3)=O,XHTQXWPBLIFPOX-UHFFFAOYSA-N
-2BAFDCD417A3F2F0_0025F5BBC06FC516_6041_UN,CN(C)C1=C(C(=NC=N1)NCC2=CC=C(C=C2)N3C(OCCC3)=O)[N](=O)=O,HPBMIQJRFMNNJW-UHFFFAOYSA-N
-2D96AAF675A153CA_5BDB59838FA5B43F_6003_UN,CC2=C(COC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)CCCC2,UMROGBDRPJVPOU-UHFFFAOYSA-N
-2EFFBCE2360F1D80_9073DF6246FDCA72_6038_UN,CC1=CC2=C(C=C1)N=C(C)C=C2OC(=O)C3=CC(=C(C=C3)N4CCCC4)F,NNWIXPCTVJQPGI-UHFFFAOYSA-N
-2F3D92F579679472_166CBF78B50E9684_7022_UN,C1(=CC=C(C=C1)OC2CCOC2)NC3=NC=NC4=C3C(C=CN4C)=O,LPHKRXXSGZMTDA-UHFFFAOYSA-N
-30BFEF0C0232F68A_0A41E097BBE0C340_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C3=C[N]2N=CC=C2C=C3)(=O)=O,DOBVKBKEKFQXMV-UHFFFAOYSA-N
-30D2A41E5D22F1C6_1FEF1D1E819C0C1F_6038_DP,O(C1=CC=C(C=C1)SC2=CC=CC=C2)C(C3=C(CO)C=CC=C3)=O,DESVPUQFXJMGCV-UHFFFAOYSA-N
-33F836EF6C7E7A30_AFC2F13C2627ADBA_6038_UN,N(C1=CC=[N](C=C1)=O)C(C3CCN(C2=NN=C(N)[NH]2)CC3)=O,LJLNKRPCAWIOER-UHFFFAOYSA-N
-36FF65813A4C77F7_CB2069D60689AE0B_6041_UN,FC2=C1C(=NC=NC1=CC=C2)NC3CC([S](C)(=O)=O)CC3,KLWRXUIMSGSFLV-UHFFFAOYSA-N
-3AF01B4453139215_77A953A22EF57200_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@H]2CCOC3=C2C=C(OC)C=C3,UNRZIJJCBPAQMH-LBPRGKRZSA-N
-3BBA64A31F15E6F8_715274ACA02FA746_6006_UN,OCC4=NC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)N4,XBWCCKINKTYBEB-UHFFFAOYSA-N
-3D40D854217E5588_B9C28D9A0A357428_6029_UN,C1C2(CO1)CCN(CC2)[S](C3=CC=C(S3)C5=NC4=C(C=CC=C4)S5)(=O)=O,UCAAJIRZPXJIDC-UHFFFAOYSA-N
-3DCAE4950FB0FFAF_1850EB4B60C29FB7_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3(C2CCN(C)CC2)CC3)=O)C=CC=C4,PMDQBNYWUQEIEC-RHSMWYFYSA-N
-3DF39F610FF454E5_0EC99F058BC9B9D1_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,XNADIZQAQVMMBY-LBPRGKRZSA-N
-3ECE20E4F860A019_724AFA93014ABC2C_6039_UN,O(C1CCCCC1[S](=O)(=O)Cl)CC4=CC=C(C3=NC2=C(C=CC(=C2)C)S3)C=C4,UYCCJTWNQVASRS-UHFFFAOYSA-N
-4081AB82D2CA33BF_3F41460FDFBBB717_6029_UN,N(CC1=CC(=NC=C1)CO)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,ZPNSKXQSKKIJMT-UHFFFAOYSA-N
-456DA9D464BFA21E_989E552A224D6B44_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,WDMGMELDBOFAHN-UHFFFAOYSA-N
-45AED8BB865429C9_8C27B51397B4B73E_6026_UN,F[S](F)(F)(F)(F)C1=CC=C(C=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)OC(F)F,FBXXUASXEINLOT-UONOGXRCSA-N
-46CDA1E626BC702B_5549754661C12E4B_6026_UN,[S](=O)(=O)(C2=C1OCCCC1=CC=C2)N4CC(C3(C(F)(F)F)N=N3)C4,UEXDGCLXMHDSPU-UHFFFAOYSA-N
-47F333789B503119_187D5EBCFB351F71_6003_UN,O(C1=CC2=C(C=C1)CCCC2=O)C3=CC=C(C(F)(F)F)C=C3[S](=O)(=O)Cl,DDNSMJHBVSDFEX-UHFFFAOYSA-N
-4A093B4F79345151_30479BB0F59C3F16_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CC(N(C)C=N3)=O)=O,DEYTXKNDKWQUIW-UHFFFAOYSA-N
-4A2C387217AEBDEF_CFB52E98D2B03A92_6028_UN,N(CC1(CCC1)C2=CC(=CC=C2)Br)[S](C3=CN=C(C)C=C3)(=O)=O,NCYQNKKTANRHHZ-UHFFFAOYSA-N
-4AEB066839BB93DD_C5DDE02EFD9354DD_6038_UN,COCC(NC(CCC1=C(C=C(C)C=C1)C)=O)C2=NN=N[NH]2,RUUAIQOWJIXZTL-UHFFFAOYSA-N
-4B38565ADDEDFF1B_FC14A0A17D8B6893_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(O)CCC3)Cl,UYGXDMWOMHIOSC-UHFFFAOYSA-N
-4D030D3FB46FEE98_A700B3F3A1C1BD96_6041_UN,CC2=C1C(=N[NH]C1=CC=C2)NCC3=C(N(C)C)C=C(C=C3)C,GUFSOXOGPXOWCP-UHFFFAOYSA-N
-4D80958458569B54_B78370EB523C8596_6029_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=C(F)C=CC(=C2)C3CO3)(=O)=O,CYNGXONTMWMYNP-UHFFFAOYSA-N
-4E7242E94C2A1F1E_BC0895FFD4FAF9ED_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2=CC(=C(C=C2)N3CCOCC3)F)[NH]4,VKRPWTQZBISPMB-UHFFFAOYSA-N
-4EF2BBB0813BF494_472B390DAD2E6118_6029_UN,CC1=CC=C(C=C1)C3(N[S](C2=C(CBr)C=CC=C2)(=O)=O)CCCC3,WUQZEITXFUNFAD-UHFFFAOYSA-N
-4FFE8FF40BDDC801_A5DE4BDB1B0EC385_6031_UN,O(C(=O)C1=CC(=CC=C1)N2CCCC2=O)CCC3=NC=C(CC)C=C3,KPINXTPEGGDUTD-UHFFFAOYSA-N
-509A022C1DDB097C_547158E58E4F36AE_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=NC=CC(=C3)C4CC4,CKJSVQNRWDBEAS-UHFFFAOYSA-N
-510ACABB29CC6554_B3633DB30B7C4525_6035_UN,O([C@@H]1CC[C@H]1[S](=O)(=O)Cl)C2=CC=C(C=C2)C3=NC4=C(N=C3)C=CC=C4,DUKJJGFWQNZFQF-QZTJIDSGSA-N
-537417A413B099AD_F507A35BCC508869_6041_UN,CC(C)C1=NN=C([NH]1)N[C@H]2COC3=C(N(C)C2=O)C=CC=C3,WDQUNUXWPDISST-JTQLQIEISA-N
-560676273A5AF3A9_77E5302AD728B779_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC=C(C=C3)C4(CC4)C#N)(=O)=O,FSLKJVFENWPSLF-UHFFFAOYSA-N
-572F1B6C5014F198_DDDD666BAE0DC443_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)N[C@H]4C3=C(C=CC(=C3OCC4)C)C,CTVLVLMTKQBAAL-QGZVFWFLSA-N
-589C6D8A805BD22D_77E85818CBC73A57_6034_UN,O=[N](=O)C1=CN=C(I)N1CC2=CC=NC(=N2)N3CCN(C)CC3,XDZSLANTQLMIIA-UHFFFAOYSA-N
-593B6208F8AA61C1_710818FB6450AF3B_2875_UN,N3=N[N](CC1CCC2(CC1)OCCO2)C=C3C4=C(C(C)=O)C=CC=C4,FRGHLRCLHXTGLW-UHFFFAOYSA-N
-594E00058EE4ACBA_0DB023736BBEC998_6041_UN,CN(C)C1=CC(=CC=C1)NC3C2=C(N=C(C)S2)CCC3,JNLHVQOJXLLUTM-UHFFFAOYSA-N
-5AD1E9F34733BFB6_E28C38ECAA43DE47_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C)N=C[NH]3)(=O)=O,CAEXZGWDYCAMPE-UHFFFAOYSA-N
-5DE1191EC1F93AAC_D716BE3C268B4B52_6041_UN,C1(=CN=C(C=C1)C2=NC=CO2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,YYGWDRJIRDELSZ-UHFFFAOYSA-N
-604E06E21E774EC6_F3E070D6ECD464B5_6003_UN,CC2(CC(OC1=CC=C([S](C(F)(F)F)(=O)=O)C=C1)C2)C#N,DXFDNYFCCPBFAR-UHFFFAOYSA-N
-62D032B051AD3684_8B8F26E2C2CFCF0A_6038_UN,N(C1=CC(=CC=C1)N2C(NNC2=O)=O)C(C4CN(C3=NC=C[N]3C)CC4)=O,SCBPAXYPAKNELJ-UHFFFAOYSA-N
-635B20C1FFC80D58_55E60901CA52A809_6026_UN,O=[N](=O)C1=C(C=CC=N1)[S](=O)(=O)N5CCC(=C3C2=C(C=C(Cl)C=C2)CCC4=C3N=CC=C4)CC5,KQYKXYWWRVEJFF-UHFFFAOYSA-N
-635D07C223BBDCEE_572D64CCE94E7106_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2(CCC2)C3=C(C=CC=C3)F)[NH]4,KNSLWOVPCBRUEU-UHFFFAOYSA-N
-63FB587300D6F8F5_EC9A179AD32E1168_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4=C([S](N(C)C3CCCCC3)(=O)=O)C=CC=C4)F,MPROGERHIIGOMV-UHFFFAOYSA-N
-65B7B3B8706F59A2_45D92DFEC51365FF_7019_UN,CC1=C(C=CC=C1)C=CC2=C(O)C=C(C=C2)C3=CC=CC=C3,JJIIHPGCHQECLA-UHFFFAOYSA-N
-664BCB1E99F87677_8279CB23F539CE07_6029_UN,N(CCC1CC(C1)O)[S](C2=C(CCBr)C=CC=C2)(=O)=O,DCZDNJHFSJXRLC-UHFFFAOYSA-N
-667D48857AFB5578_77FBF68E94344905_6038_UN,C[C@H](NC(C2=CC1=C(C=CC(=C1)OC)OC2)=O)CC3=NN=N[NH]3,XEDDILCMLUYNFR-VIFPVBQESA-N
-672DB4DF8EAC7C65_C77D5B2DA252A1EF_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(CCN(C)C)C=C2)(=O)=O,GNOYYHRCRDEOEK-UHFFFAOYSA-N
-677FE37D16F8CDA8_3D15B5555E9EC178_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(OC)C=C(C=C2)C)=O)C=CC=C3,XAQMBWWWNOMLBS-CZUORRHYSA-N
-685D4312CEA0F7C7_B2D95DD37E281DAC_6003_UN,CCC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)C2=CC=CC=C2,QIHHZZRVSNKIQU-UHFFFAOYSA-N
-68F9A25E9710A807_476FE252E1897BC2_6029_UN,C=C1CN(CCC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,QDUMHBZMLBEKTB-UHFFFAOYSA-N
-6A3959CD03B264BF_B0DFAB268C484892_6028_UN,N(C1=CC2=C(C=C1)COB2O)[S](C4=NN=C(C3=CC=CS3)[N]4C5CC5)(=O)=O,HBLCSTIMZKGRBR-UHFFFAOYSA-N
-6AE7E6619DB4AA75_28E23B7B165C743D_6038_UN,C[C@H](OC(CC1=CC=C([Si](C)(C)C)C=C1)=O)C2=N[NH]C(=N2)C,IQTPYWXREZACEE-NSHDSACASA-N
-6D8EB453758A1E7F_40670057F48C81F2_6028_UN,N([C@H]1[C@@H](C1)C2=CN=C(C=C2)F)[S](C3=NC=C(C)C=C3)(=O)=O,AGEGTXUXWZLJDE-NWDGAFQWSA-N
-6DB8A054D62CF871_BFCAE87FD3895DD6_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)N[C@@H]2CCOC3=C2C=C(OC)C=C3)C4CC4,IHFLIGWYURZHFY-CQSZACIVSA-N
-6E3DC3139B4848B1_364D47FF1BF9D2C6_6009_UN,ClC1=CC=C(C=C1)C=CC2CC(OC3=C2C=C([S](Cl)(=O)=O)C=C3)=O,FKDAHTSRPVBXQU-UHFFFAOYSA-N
-6F38E4D0781F1DFC_A68EBC3845791AE5_7019_UN,FC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC=CC4=C(O)C=C3OCOC3=C4,SYLQLOHKYWDWFY-UHFFFAOYSA-N
-6FFCBE655DD21F66_57D806D50CC08D6A_6041_UN,C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,PNMKNXUSJDPBBQ-UHFFFAOYSA-N
-73BCFAED8BB4D878_D37EE19144B4F4B6_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=C(C(C)=O)C=C2)=O)C=CC=C3,FXINWEDRBQUNRJ-SJKOYZFVSA-N
-7462C88B761E82F3_61F44A86F511214F_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C=C3)Br,MDTAEUPTKNMGKA-UHFFFAOYSA-N
-753A7FD1C8F29701_DACF31DA7E0E059C_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=C(C(C)=O)C=C2)F)=O)C=CC=C3,YVENCLXKHJEUCT-PIGZYNQJSA-N
-76D2E2F9FC2E29A5_CA6B26685125794F_6036_UN,C(C2(CC1=CC=C(C=C1)Cl)CC2)N([S](=O)(=O)C3=CC=CS3)C4=NCCN4,ZIPJTQXFJJWCRW-UHFFFAOYSA-N
-789D476ABDE7241A_181E4768AB28E303_6038_UN,N(C2C1=CC=C(C(=C1OC2)Cl)Cl)C(C3=C(C)C=NC(=N3)N4CCOCC4)=O,HTPITHUZDURUOX-UHFFFAOYSA-N
-79D38A3BAEF4C2B0_63AEEDC9A4AC30A3_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2=CC(=C(C=C2)N3CCOCC3)F)[NH]4,RWVGFJUSIAJAIS-UHFFFAOYSA-N
-7BA4561A6C745314_C7D7793FAB6A2652_2875_UN,ClC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)CC3(N)CCCCC3,RGOHPVVGDYTQGJ-UHFFFAOYSA-N
-7E24A6FC84AC611B_2A8414D857CE8FFD_6038_UN,N(C1C2=C(OC1)C=CC=C2F)C(C3=C(C)C=NC(=N3)N4CCOCC4)=O,SJAUYKGSWRPJIP-UHFFFAOYSA-N
-7E70A79261FD7609_8F5CB5D45107248A_6003_UN,CC(C)C1=CC(=CC=C1)OC2=CC=C([S](C)(=O)=O)C=C2[S](=O)(=O)Cl,DSVMGXQMERRCPS-UHFFFAOYSA-N
-812AD25CCE1E4601_370608A7327940E5_6035_UN,CC1CCC1OC4=CC2=C(C(C(=C(C)O2)C3=CC=CC=C3)=O)C=C4,FMJPECYWEVYGKS-UHFFFAOYSA-N
-81970126156E95E6_504213C017B0E53B_6029_UN,N(CC1(CC1)C2=CC(=CC=C2)F)[S](C3=CC=C(C=C3)I)(=O)=O,DMNDMPZPTBSNFF-UHFFFAOYSA-N
-81DFE88818103F5E_B60355C75D1A842F_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2CCCN2C3=NC=CN=C3,KRELFCMXHJMRDE-UHFFFAOYSA-N
-82B809B671E9CBC5_477CDEA0225BC492_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=C(N=CC=C3)C4CC4,SLKXXOSTTVSLFY-UHFFFAOYSA-N
-8357D5F6CEEC5B74_CD1F8BAB0949D8C2_6041_DP,C[N]1C=NC2=C1N=C(N=C2)NC3C4=C(CCNC3)C=CC=C4,BBHURSZXKVAUHL-UHFFFAOYSA-N
-852CB8650292F28C_7FA64EF23240F0C7_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3CN(C2=CC=CC(=C2)C)C(C3)=O)=O)C=CC=C4,PBOQKVYVBFDXLW-XBOMOHCESA-N
-8533642EA1EC5480_43F86BA497C4ADE2_6029_UN,N(C1=CC=C(C=C1)C2(O)COC2)[S](C3=NC4=C(C=C3)C=CC=N4)(=O)=O,CLNHMWJHIGTSJR-UHFFFAOYSA-N
-856D74C0427A3FF7_2622DC58EA53C8D9_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(=O)C3=NNC=CC3=O,YRVTVCZZSOMWAY-UHFFFAOYSA-N
-86FD703C902DABEA_DCE6FE620C8B88E5_6034_UN,C=C1CCC(=O)N(C1=O)CC2=CC=C(CN(C)C)C=C2,QNZFKZNPINDXAL-UHFFFAOYSA-N
-88A4C1E9635F914C_876D79F3405FFAEC_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)[C@H]3C[C@@H](N)C3,RKYKDFGVGHRUGR-OKILXGFUSA-N
-8A138ABC2AE10DB1_F152DDFDCCFD9971_7022_UN,C1(=CC=C(C=C1)OC2CCOCC2)NC3=NC=NC4=C3C(C=CN4C)=O,OCPWGAXQNRXDCD-UHFFFAOYSA-N
-8A7A255ECE060568_2E50C39E3B0CCB4A_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC=C(C=C2)Cl)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,DCXLUHBKXVSTTQ-UHFFFAOYSA-N
-9246E664C2674CB0_BE782E2E5B6B982E_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCCNC2=O)CC3=CN=CO3,CQXGOCUOEJAAFN-UHFFFAOYSA-N
-92925CBE05F163E3_BA65ADD11368AD0C_6041_UN,O[S](=O)C1=NC(=CC=C1)NC2C3=C(OCCC2)C(=CC=C3)F,LYROCBTVXPOENZ-UHFFFAOYSA-N
-92AE2939B917EF12_3398DE3C2E78BBEA_6041_UN,FC1=CC2=C(C(=C1)F)C(=C(C#N)C=N2)NC[C@H]3N(C)C(CC3)=O,IDQYZEAXGRZCNT-NSHDSACASA-N
-934C6BB45254A102_45BFAE62FF4CB9AC_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CC(=C(CN3CCCN(C)CC3)C=C4)F)(=O)=O,SJMBPAQPHBACBB-UHFFFAOYSA-N
-938D165BBB1A9C32_50471D9E8AAE72C6_6038_UN,CN1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(N=C3)Cl)Cl,VVFCVZGWJYQARP-UHFFFAOYSA-N
-9404A4A3D64E4B20_AB4CA2A7421E6919_6041_UN,O=[N](=O)C1=C(N=C[NH]1)NC3CC(N(C2=C[N](C)N=C2)C3)=O,GYZKUFKTAKNNJB-UHFFFAOYSA-N
-94191A4DF75A27DD_C9F1D1A9C9F203DD_6038_UN,N(C2=C1COB(C1=CC=C2)O)C(=O)C[N]3N=NC(=N3)C4=CC=CS4,HUNLLQWVYLLWJL-UHFFFAOYSA-N
-965ED6FF89563004_A6F9AF786C33E03A_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,IRVUJAOABHXHTP-UHFFFAOYSA-N
-967C4E94FEFF5D73_770F7CF76FB0943B_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=NC=CC(=N2)C)=O)C=CC=C3,WBATYRQDQAFANV-DGCLKSJQSA-N
-9751DFCB0C3E3EF4_543A014D4B00AD82_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2CCOC3=C2C=C(SC)C=C3,GOAMULFCNUHNBQ-UHFFFAOYSA-N
-98AED11F8C27AA41_1ED5133A738C87F7_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2(CCC(C(C)C)CC2)C#N)C3=CC=CC=C3,NTGGFKRUHAVIAI-UHFFFAOYSA-N
-990B5C6DC421F868_ABAC714E42CB3A0E_7022_UN,C1(=CC=C(C=C1)CC2CC2)OC3=C(CC)C=C(C=C3)C,ZEQVCBKPAYITBY-UHFFFAOYSA-N
-994D0CC36B5398BA_F0E4AF932103FBDA_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=C[N](C)C=N3)=O,JIVUYYIXJILKCE-UHFFFAOYSA-N
-999EE593414E03DC_3C30B039609ABF21_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)O)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,IBIZGBXJFGNTCH-UHFFFAOYSA-N
-9D7781B31F51FA63_6696901E48480EC7_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C(C)(C)NC3CC3,SYWPOHYBHYEAPG-UHFFFAOYSA-N
-A09A98E527429EFD_38D145A121B69735_6028_UN,N(CC1(CCCCC1)C2=CC(=CC=C2)Cl)[S](C3=CN=C(C)C=C3)(=O)=O,JRXLGDNUOQCIGY-UHFFFAOYSA-N
-A10DC722CE3A969E_CCCFB3FBA91A4FD8_6005_UN,CC1=C(C=C(C=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)O,ZQYORKUZHPTURV-UHFFFAOYSA-N
-A2FE6129FAF37D7A_8DDFCBD13DB7613F_6039_UN,CC1=NC4=C(C(=C1)N3CCC(OCCCOC2=CC=C([S](Cl)(=O)=O)C=C2)CC3)C=CC=C4,PWKUMUOFZVTODQ-UHFFFAOYSA-N
-A3A8A77AC2F02C1B_61C8A00CF0F02047_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=CN=C3C=C(C)C=C[N]23)=O)C=CC=C4,YTSMWBRMCHOMEJ-UKRRQHHQSA-N
-A44478CFE9CB4297_1EFF271C1F0D2D97_6029_UN,N(N1CCOC1=O)[S](C2=CN=C(OCCN(C)C)C=C2)(=O)=O,AOZWPGURQAJEKB-UHFFFAOYSA-N
-A44ED5A3A38F1E86_C6482619CBEB6571_6041_UN,CC1=C[N](=CC(=C1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)=O,ABMHDRKKHZALJH-HNNXBMFYSA-N
-A49968F6B69F5944_9912BAB835A3DEE6_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)NC3(C2=CC=C(OC)C=C2)CCCCCC3)F,XRMLRUZSODTFKS-UHFFFAOYSA-N
-A5C6C27C80A04399_828B2C7413461DB4_6034_UN,CC1=C(C=C(C=C1)N2C=CN(C2=O)CC4=C(N(C)C3=NN=N[N]3C4)C)Cl,SAMOYPOHBRBZCJ-UHFFFAOYSA-N
-A625AE7F7FEAC577_BEA33B54E4D9D2BF_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=NC=C(C)C=C4)=O,RQNFOLVHDHMTJW-UHFFFAOYSA-N
-A8C52796E3C1F0DE_7F06C0432D5C48C8_6005_UN,CC1=CC(=C(C=C1)C2=C(C=CC(=C2)C)C3=CC=CC=C3)O,LNOGRFNSMXNJNA-UHFFFAOYSA-N
-A907616DFB37555F_F797E04D6688F7E3_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CC=C(C=C3)I,BELWLPOSUCNWLE-UHFFFAOYSA-N
-A937FB5566AF5906_51A4843F75110D8C_6038_UN,N(CC1=NC(=N[NH]1)C2=NC=CC=C2)C(CC3OB(O)C4=C3C=CC=C4)=O,ZDFQIYMKYAVQBN-UHFFFAOYSA-N
-AC9B4D7A83039229_3D16C0B26764C7B0_6038_UN,CC3=C(OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C(=O)CC3,KLJGROBOJSIATP-UHFFFAOYSA-N
-ADB3DA6F059ECE91_3A29F9224EF0D043_6006_UN,CCNCC4=NC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)N4,NXEIMOMUDQDRET-UHFFFAOYSA-N
-B1D30DA5390FF202_AF3623D1B6CFD230_6041_UN,O[S](=O)C1=CN=C(C=C1)NC2C3=C(OCCC2)C=CC(=C3)F,QKCJLQDLTXIXQU-UHFFFAOYSA-N
-B5CD92CF3756B37C_C9112D352BCE6192_6041_UN,C1(=CC(=CC=C1)OC2=NC=CN=C2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,MJAAYNHCTWXMLD-UHFFFAOYSA-N
-B779C794B4F3D9B4_B4FF863F7532386D_6026_UN,ClC2=C(C=C1OCCCOC1=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,DFFDZDZZDOTJQF-UHFFFAOYSA-N
-B7BC5BB8EDBE919F_EE984FB1D7F00B6F_6026_DP,ClC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCNCCN3,VXFKPZRKSGEZAT-UHFFFAOYSA-N
-B855EC307B468B55_C72AE59EB2F537BA_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=CSN=N2)C=C3,LAQLCOWNSIMJNQ-UHFFFAOYSA-N
-B940AFF1CCC69A8D_F7C4D75476AA4649_6038_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)C(C=CC2=CC=C([S](N)(=O)=O)C=C2)=O,NXOFONLATZRZRJ-UHFFFAOYSA-N
-B9793E443B0A6044_41EF9445824FEB53_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3CN(C2=NC=C[N]2C)CC3)=O)C=CC=C4,OLJGBWCEGMSFFM-XRZAVGITSA-N
-BA1A4AF12D2CBEE5_0E7BEEFDE367DBC1_6038_UN,N(CC1=CC(=C(N=C1)N2CCOCC2)F)C(C3=CC=CC4=N[N](C)C=C34)=O,TUFXATIXMJZMBV-UHFFFAOYSA-N
-BA1E45CCF01C561B_62CB671997F792C4_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(C=C2)NC3=CC4=C(C=C3)B(O)OC4,KDNBTAWEBRLDAO-UHFFFAOYSA-N
-BB001FB9654E6C45_A179087670DDB0A0_6041_UN,C1(=NC=C(C=C1)C2CCC2)NCC3OC4=C(C(C3)=O)C=CC=C4,AYDPNYOVNRWMGR-UHFFFAOYSA-N
-BE3BAFF77EA5C6AE_E5B19F97AC6BD447_6038_UN,CC3=C(OC(C2=C(C1=NN=C(C)O1)C=CC=C2)=O)C(=O)CC3,LXIKIWMGVCKKRJ-UHFFFAOYSA-N
-BF27DFF11BD2410D_A4A8EDE842E4D467_2875_UN,ClC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)C3(N)CCC3,OGOMDXBMZBGFII-UHFFFAOYSA-N
-BF78486561653216_1749A9CD5F4330CF_6041_UN,O[S](=O)C1=CC(=NC=C1)NC2C3=C(OCCC2)C(=CC=C3)F,KLEMYLLEYIQIRB-UHFFFAOYSA-N
-BFB1EEA89709F551_F9B78228D710FB73_6003_UN,OC(=O)CC(OC1=CC=C([S](CCl)(=O)=O)C=C1)(C2=CC=CO2)C(F)(F)F,AZRFJYZFEZCDPO-UHFFFAOYSA-N
-C0F4E0DD01D42E12_BA56D347148216C2_6038_UN,COCC(NC(C2(C1=CC=C(N(C)C)C=C1)CC2)=O)C3=NN=N[NH]3,PITSSHVTUPCWBH-UHFFFAOYSA-N
-C6BC7B78694DEBF6_E64A74B7A90C9884_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)Br)[S](C3=CN=C(C)C=C3)(=O)=O,ZHXKQXFQFMUTPC-UHFFFAOYSA-N
-C6C884B53A8C58BB_F3AC1F125D8E619C_6034_UN,CN5CCC1=C(C4=C(N1CCC3=C(C)NC2=NC=N[N]2C3=O)C=CC(=C4)Cl)C5,QVTXJPSGPBEPFS-UHFFFAOYSA-N
-C6F7AA11A55F78B7_CEBDA17CBA6EB252_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(N=C5)OCCO6)(=O)=O,FSUXGXUMGQKYSI-UHFFFAOYSA-N
-C9FB478D1F2A255B_D948F863DDF03C1F_6038_DP,C[C@H]1OC4=C([C@@H](C1)NC(C3=C(C2CNC2)[NH]N=C3)=O)C=CC=C4,YVDYBTGUSRFGCU-QMTHXVAHSA-N
-CA42DA7BC9B6B4A1_9AE309B204F7B3A7_6039_UN,CC3CC(COCC2=C1N=CC=CC1=C([N](=O)=O)C=C2)C3,ADCNUINLYMFPBM-UHFFFAOYSA-N
-CBE739C64B290E3A_F7575D2FAAF9AB91_6038_UN,CC2=C(C(=C1C=CC=CC1=N2)OC(=O)C3=CC(=C(C=C3)F)N4CCCCC4)C,XGWOOYTXXHKENN-UHFFFAOYSA-N
-CC7502EEA72A2103_1DBDC3C5FB531CD4_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC=C(C=C2)F)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,SFSOZPRJKBMLJJ-UHFFFAOYSA-N
-D2CD175F8031AF3C_8FDB98725B26F62B_6038_UN,OB(O)C1=CC2=C(C=C1)C=CC(=C2)OC(C4=C(N(C)C3=NN=N[N]3C4)C)=O,JKFRETPLFFQCLF-UHFFFAOYSA-N
-D387E60235957CD6_7C404E22CCDAAF49_6038_DP,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(C4=N[N](C3CCCNC3)C=C4)=O,XTYCAXBBRMBTDX-UHFFFAOYSA-N
-D7AD605EAE3CFB9F_D8B20ED017661D93_6041_UN,C2(=C1C=CC=NC1=C(C=C2)C#N)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,UXJFIDHMEUDBNE-UHFFFAOYSA-N
-D7EA21BEF6150754_E1DAE39BA0753789_6035_UN,O(C(CF)C1=C(C=CC=C1)F)C3=C2C=CC(=CC2=NC=C3)[N](=O)=O,GZVWPHKORJDYAP-UHFFFAOYSA-N
-D90DA6FB9AF3EAC3_DB41E13900D6C47B_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N3CC(OC)(C3)C4=CN=N[N]4C,GRLMKBBDIFDKTM-UHFFFAOYSA-N
-D9D00D571D515C2A_3B567F2132E0D847_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC(=C(N(C)C)C=C3)F,ODWYSCGMQFWHRP-UHFFFAOYSA-N
-DAFEE7ECEFA4C9E0_BCC90989355CCFF5_6026_DP,FC1=CC=C(C=C1)[N]2C=C(C=N2)[S](=O)(=O)N3CCNCCN3,SMLJUUNCGILJLB-UHFFFAOYSA-N
-DB355926D4518688_D4FBB6B1B14222C1_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN(C(C)C)C(C=C2)=O)=O)C=CC=C3,NYEGGTVYICVNQP-CZUORRHYSA-N
-DB6A53FB3AA5F121_EEC598D30023A916_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CC4=C(N=C3)N=CC=N4,CAWDVKQUDDKDAI-UHFFFAOYSA-N
-DC0B8C70E1B1CC36_02EE98754E6A2C69_6003_UN,CC3(OC1=CC=C(C(F)(F)F)C=C1[S](=O)(=O)Cl)CCC2=C(C=CC=C2)C3,IKXJZOKEIKSVRY-UHFFFAOYSA-N
-DCED06AFFDFBCA0D_4053488406E5037A_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CN=N[N]3C)(=O)=O,VHMWJWDVUSHBNK-UHFFFAOYSA-N
-DDF8CE0A43DBB163_28610A49A1D31CE1_6038_UN,CC3=C(OC(=O)C1=CSC(=N1)C2=CC=NC=C2)COC3=O,ODHPXWTXTQPMRA-UHFFFAOYSA-N
-DEBEF193DF3BD359_B25EE53698D87C89_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@@H]2CCOC3=C2C=C(OC)C=C3,UNRZIJJCBPAQMH-GFCCVEGCSA-N
-E2D056A906F52595_1D0550DE356CBFA6_6041_UN,CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F)C,ZEWRQDAOMDEDKY-HXUWFJFHSA-N
-E3A4DE5CDBBF36D6_2A50EA16DC943900_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCC2)F)C(C3=N[NH]C(=C3)C)=O,MIKFAJFBFYJWAQ-UHFFFAOYSA-N
-E3C15CB789214F92_F24CFCF3873C34EB_2875_UN,FC1=CC=C(C=C1)C(=O)C[N]2N=NC(=C2)CC3(N)CCCCC3,UEPMYCGBXGDLDX-UHFFFAOYSA-N
-E472787BF3D4AB07_AE148A3CC85F98A3_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC2(C)C3=C(OCC2)C=CC=C3,CGKBUUQQMIBBEO-UHFFFAOYSA-N
-E69D657727624062_529C9BD116587DC5_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=CN=C(N(C)C)C=N3)=O,KVBPIKGHCWYRAA-UHFFFAOYSA-N
-E6FFDCFCF5DEC52F_6C42456CE03D1B5A_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(P(Cl)Cl)C=CC=C3)(=O)=O,RHAJJXTUYYTUTG-UHFFFAOYSA-N
-E8D585BB95F398D4_65EBDAC3973645D4_6038_UN,N(CC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CN=C(N=C2)N3CCOCC3,GRTGZZGFJNKEOE-UHFFFAOYSA-N
-EAA89E66FFA0AAE5_F276148A5E9CA774_6029_UN,N(CC1OC(OC1)=O)[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,AONZSPFBDKGUJF-UHFFFAOYSA-N
-EE398A0D087C2D27_3CF1E67A2AB23F7B_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=C(N=CN=C3)C4CC4,XJDXKZMPYYOSNE-UHFFFAOYSA-N
-EEB10D3B6D0F30AC_B5BD91A4C5ECF7C1_6041_UN,C[N]1C=CC2=C1N=CN=C2NC4=CC=C(C(C)N3CCOCC3)C=C4,SPRQRNALFDCUGI-UHFFFAOYSA-N
-EF4F755A2116BF5A_C5B24CED8D098A47_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(=O)C3=CC=C(C=C3)C4=C[NH]N=C4,NUEKCGLVNXFZOW-UHFFFAOYSA-N
-F02984095C1720BB_2C0FB9669D97E0B4_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=C4C(=NC=C3)CCCC4,SLFVTKAASHOIQA-UHFFFAOYSA-N
-F28AA85F33BA173F_FA0E44C6AB3173B2_6041_UN,FC1=C(C=C(C=C1)C2=CN=NC=C2)NCCCO[Si](C)(C)C,MFZHXYOUVYFPLP-UHFFFAOYSA-N
-F3D0A90791F4412D_F32872E6F817DEB6_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,IIZFGIKUYXDNFM-UHFFFAOYSA-N
-F414A0E1A24A25BE_8A0C6AD6DF0C3A99_6039_UN,O(CC1=CC2=C(C=C1)CCC2)CCOC3=CC=C([S](Cl)(=O)=O)C=C3,ODUVYXWNHZGRFL-UHFFFAOYSA-N
-F6295DB35EE2EBC0_1B79278E059C6422_2875_UN,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)CC3CCCCN3C,RZYJYJVNTGCOAQ-UHFFFAOYSA-N
-F69519296407E9A7_AAFD6434E8E20474_6029_UN,CC1=CC=C(C=C1)C3(N[S](C2=C(CF)C=CC=C2)(=O)=O)CCCC3,QTUCTTYZFZAHIU-UHFFFAOYSA-N
-F7F8B430B8C7B2C1_B2F236C19CA72894_6029_UN,FC(=C1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O)F,KZPOPVZNUOMKEN-UHFFFAOYSA-N
-F8A70C44A9CBE162_AB6F64B33BBCA749_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,XHIGNCLPPASRAE-UHFFFAOYSA-N
-F8CFC0D2AC22EF24_9554EB09078B0406_6035_UN,O(C1CN(C1)C2=NC(=CN=C2)Cl)C4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,SMMTVCLRIVTLOM-UHFFFAOYSA-N
-FA284B52AAAD53AF_B16D34EA176441F4_6041_UN,CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F)C,XOKJQJWNVKKZOE-FQEVSTJZSA-N
-FA4C707D877CFF7E_7E3DC478E64D3742_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=C(C)N=CC=N2)=O)C=CC=C3,MASIPGSPDZAHEO-ZWNOBZJWSA-N
-FAB6E7CF4DC8AF88_66E94AC892862EEE_6031_UN,O(C(=O)C1=CC=C(C=C1)N2CCCCC2=O)CCC3=NC=C(CC)C=C3,RMSWPBXBHXVHBE-UHFFFAOYSA-N
-FAC4C5089A34138F_5355250F5931B8B1_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)Cl)[S](C3=CN=C(C)C=C3)(=O)=O,YVUUPMUXRQKXPU-UHFFFAOYSA-N
-FAD36CDDEB561A21_66BF1078492A34D0_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(F)C=CC=C2F)(=O)=O,KGGWICRRCYUZSV-UHFFFAOYSA-N
-FB3E4F990DCAA6C9_47FCA221850B2CAA_7005_UN,C[P](=O)(C)C1=CC=C4C(=C1)N=C(C2(CCCC2)C3=CC=C(C=C3)C#N)[NH]4,GFFPYOYVPPHIOC-UHFFFAOYSA-N
-FC59E7D93803CDE0_05A3F5F9DB21FAA0_6034_UN,CC(=O)C2=NC1=C(C=C(C=C1)Cl)N2C[C@H]3CCCN3C,GQTZQHIJWUNNKV-GFCCVEGCSA-N
-FC8CCA7A3028C254_832BB049CD3B9DDE_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O)C,NVWBAMYBOBPBFG-UHFFFAOYSA-N
-FCDC3880818B879D_BCCD62695C245B3E_6034_UN,BrC1=CC(=CC=C1)C2=NNC(=O)N2CC(N)CC3CC3,XAHLPAUBXARIKM-UHFFFAOYSA-N
-rxn:1:42842:701,O=C(Cn1cc(CN2C(=O)COc3cc(F)c(N4C(=O)C5=C(CCCC5)C4=O)cc32)nn1)Nc1ccc2c(c1)OCO2,OBGTWYRHYIQXPW-UHFFFAOYSA-N
-rxn:1:61752:9448,CN1CCN(c2ccc(-n3cc(COC(=O)N4CCOCC4)nn3)cc2[N+](=O)[O-])CC1,KMQGCWVWEXHVKW-UHFFFAOYSA-N
-rxn:2:118591:155627,CC(NCC1CCCN(C2CCCCCC2)C1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,QVIQSMSYSWQUQT-UHFFFAOYSA-N
-rxn:2:66786:121598,CCN1CCC(CNC(c2cccc(S(C)(=O)=O)c2)C2CC2)(C2CCCC2)CC1,BLVUCTXQBLDVCL-UHFFFAOYSA-N
-rxn:2:90982:151416,CS(=O)(=O)c1ccc(CC2CCC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)CC2)cc1,WKPSHASLSPAMGY-UHFFFAOYSA-N
-rxn:2:90982:160422,CS(=O)(=O)c1ccc(N2CCC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)CC2)cc1,ZPRMUXXNSUVFKR-UHFFFAOYSA-N
-rxn:2:90982:166005,CS(=O)(=O)c1cccc(N2CCC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)CC2)c1,MWPCFQVPHDEVAV-UHFFFAOYSA-N
-003B29627617256A_F60163ACCAFC0500_6029_UN,CN4CCC1=C(C3=C([N]1[S](C2=C(C)C=C(N=C2)O)(=O)=O)C=CC(=C3)Cl)C4,PWOXQZFEKVEXRA-UHFFFAOYSA-N
-01B104EA674EC342_21F9EB190C4EF160_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NCC4=NC(=N[NH]4)C5CC5,ZNBWDWZEVVKHEV-UHFFFAOYSA-N
-049DD7D2B80B3D9E_20CAED7F92DFEA2A_6038_UN,CCC(COC(=O)C1=C(CCC1)C2=CC=CC=C2)OC,YDFQBMUQHIZPCN-UHFFFAOYSA-N
-04C0FE3F8C1DB59E_560B76BAC69C9C2E_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CCC(C[S](C)(=O)=O)CC3,MOPUGJOHGYPRER-UHFFFAOYSA-N
-0529568E8A1BC830_B20001335CC19B54_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=C(C)C=C2)Br)C,IDOSMXBIPNKZSM-UHFFFAOYSA-N
-056275D4EE772090_AD53E746A16AA2DC_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=C(CCBr)C=CC=C2)(=O)=O,RSCCMOYSZGOIDM-UHFFFAOYSA-N
-0622254B8A69976C_AAFD324ECB589B81_6041_UN,CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,CPMRYNBOBYVFEL-HXUWFJFHSA-N
-077BA18036F31F17_71F2399B2DFB3B98_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=C(C=CC(=C3)C)O,KFKVRILKEWOBRC-UHFFFAOYSA-N
-0854BDACE5201D0F_A0D86136ACB35680_6041_UN,CC(=O)C1=CSC(=N1)NC3C2=CC=CC(=C2OCC3)C,XDKLKTCWEPRIOO-UHFFFAOYSA-N
-09888D0F019D2F43_0B3407AAEBC950B4_6029_UN,FC1=C(C=CC=C1)C=C2CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,GULIVHLZVPDIBG-UHFFFAOYSA-N
-09AC6824A1133CBD_5A4A84B1EC0BC6AC_6034_UN,CC1NCCC2=C1N(C3=C2C=CC=C3)CC(C4=CC=N[N]4C)N,VHFSJSJOTUUVSE-UHFFFAOYSA-N
-0A32F4EDDA970017_E665A0CB7ECB17AD_6039_UN,C[C@@H](OCCOC1=CC=C([S](Cl)(=O)=O)C=C1)C3=NC2=C(C=CC=C2)S3,ADSNTTHLGPHSRX-GFCCVEGCSA-N
-0B2379A9D16C9632_C1C83A93D3383700_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(C(CC(OC)=O)=C)=O,DJEZYHDJEPMJLF-UHFFFAOYSA-N
-0BA03729A2A5C8B1_0641B24D0829DDC4_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CCOC2)C3=CC=CC=C3,SBVULRGLCSQHQN-UHFFFAOYSA-N
-0C3655DFA996BAE2_BDA4C0D9BBEA2CA8_6039_UN,CC(OCC1=CC=C([S](Cl)(=O)=O)C=C1)COC(=O)C=C,LMKSOQZIAMANMZ-UHFFFAOYSA-N
-0CAC11586B87667B_EAA1CF17BDA19115_6041_UN,CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,IGFQTNMEJJZNAF-PSDZMVHGSA-N
-0E3395F55906567D_14BEA22B8AC33063_6041_UN,CN(C)C1=NC(=C(C=N1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F)C,ODFWIVYXZVPWCP-ZDUSSCGKSA-N
-0F90F4A67206B90D_24BF2F2F1D89620E_6038_UN,CN(C)CC1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)C,BQVVCFNIRJDGLS-UHFFFAOYSA-N
-10B41FB324ACEAEC_D0B41AFCE8CEC03C_6035_UN,O([C@@H]1COC(=O)C1)C2=CC(=CC(=C2)N3CCCC3=O)C,UFRHTWBXTIFZOE-ZDUSSCGKSA-N
-1271CD868EF75A4D_055C6B9511D02ED7_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[N](C)N=C3Cl,WLXXJJGTSADEIS-UHFFFAOYSA-N
-146AC691B7870F04_BE265D595C92CCF4_6036_UN,C1(CN(C1)C2=NC=C(C=C2)Br)N([S](C3=CC=C(N)C=C3)(=O)=O)C4=NCCS4,NOZXKQITJJGNEI-UHFFFAOYSA-N
-169BAE7CAC815BCD_B7B0A8A5F4386A58_6028_UN,CC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=NN=C(C(CC)N(C)C)O3)(=O)=O,MFEMKNZCBDZCRV-UHFFFAOYSA-N
-194DD5BA60796727_5FFA6D0C42381AD6_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCCCCC4)C5=NN=N[NH]5,IZCRZNCOFFHWHA-UHFFFAOYSA-N
-1B12F54DBEBFFD7B_CEA0F24537AD5B3A_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=CC(=C2)F)I,MHPZHZDJPCNCNU-UHFFFAOYSA-N
-1BCDA27D29625195_6C48154A6BCA21FC_6039_UN,CC(OCC1=C([N](=O)=O)C=CC(=C1)F)CC3=NC2=C(C=CC=C2)S3,JNORRDRDCBVONO-UHFFFAOYSA-N
-1C536DF0E1B8A245_B6055B71668875E8_6029_DP,N1C[C@@H]([C@H]1CN[S](C2=CC=C(C(C)(F)F)C=C2)(=O)=O)C3=CC=CC=C3,IUGULRGKZUZKLW-IAGOWNOFSA-N
-1CD0420F02E70C5F_BAFB590092CD111C_6026_UN,COCC1=CC(=CC=C1)[S](=O)(=O)NCCC2=CC(=CC=C2)[S](F)(F)(F)(F)F,FRWAOCGYWLXWTB-UHFFFAOYSA-N
-1FC65D2E0B591B93_550041C407EFB591_6039_UN,CC(OCC1=CC=C([S](F)(=O)=O)C=C1)COC(=O)C=C,HEYMBDGMACWBSH-UHFFFAOYSA-N
-20418E949FA14723_BC01A1EDD8A26455_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(C4=C(O3)C=CC=C4)Br,RYMUILLXTQFIBS-UHFFFAOYSA-N
-20EE3484962A0591_18E7125EC0280755_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C([N](N=C3C)C)Cl,PTXWHVPFPUXDQG-UHFFFAOYSA-N
-20F40498CD21DC1F_260723F61D909E73_6026_UN,O=[N](=O)C1=C(C=CC(=C1)Br)[S](=O)(=O)N2CC4=C(C3=C(C2)C=CC=C3)C=CC=C4,MRFUODJGNOHHBR-UHFFFAOYSA-N
-25775E11970B53CA_95E3D56E8672A754_7019_UN,CN4CCC(C=CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)C4=O,WKJUQXHOSYOACT-UHFFFAOYSA-N
-2745DC06F83A506C_39614B2E401AFF44_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=CC3=C(N(CC)CC3)C=C4)(=O)=O,SZIGJJMXCRGOMR-UHFFFAOYSA-N
-27F9E249C185D995_D22BBD9621C95BB9_6038_UN,CC1=C(C=CC(=C1)NC(C2(CN(C)C)CC2)=O)[N](=O)=O,XLLGCZCQRPSDAZ-UHFFFAOYSA-N
-29A39BAC897DBA9E_D9AFCD7ADD30CF3D_6038_UN,N(CC1=CN=C(C=C1)[N]2C=NC=N2)C(C(NO)CC3=CC=CC=C3)=O,PQBIDBWRFWWVMN-UHFFFAOYSA-N
-29F8B395BAA5CACD_AE6A8D5E2BE524CB_6041_UN,O=[N](=O)C1=NN=C([NH]1)N[C@H]3[C@H](C2=CC=C(N(C)C)C=C2)C3,BHXSPLMCHUMDOU-WDEREUQCSA-N
-2B070B2167F5A80A_51A17ACC501DD1A9_6041_UN,CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,NGKIOVILDBNLES-PSDZMVHGSA-N
-2E1557CAF50AA9DD_6D66C1BE9C008ED1_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(CCl)C(=CC=C2)Cl)(=O)=O,PFWBXUNFYUBZCV-UHFFFAOYSA-N
-2EA843FF72F2FC08_0695567AE95065D3_6041_UN,CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,HIIWRUNCYSZVKJ-FQEVSTJZSA-N
-2F30940905E9637B_21F9837EC7A46C9C_6041_UN,C1(=CC(=CC=C1)C(=O)C2CCOC2)NCC3=CC=C(C=C3)C4=NN=CN=N4,RGBNCVBZOSPUQT-UHFFFAOYSA-N
-2FB398152BC4B733_0F6C9EC5F7B36A9A_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(=O)CCC2=NC(=NO2)C3=CC=CO3,RTPIQXLSSJIGSD-UHFFFAOYSA-N
-30E7BFE3BFED5769_F64A4AA3AE2B9EBF_6041_UN,CN(C)C1=NC(=NC(=C1)C)NC2CCSC3=C2C=CC=C3F,MBFKWFUACBYWTH-UHFFFAOYSA-N
-311EE2B209D9F92F_51D0B389240AE4B5_6041_UN,CC(C)C1=NC(=NC(=N1)NC2=CC(=CN=C2)C4=NC3=C(C=CC=C3)S4)N(C)C,KPLUSXICAVEVMK-UHFFFAOYSA-N
-31AB87CD2396F7B5_715715C60D3E7089_6029_UN,N(CCN1C(OCCC1)=O)[S](C2=C(C)C=C(C(=C2)Cl)I)(=O)=O,PAFFUKAGSOIJJN-UHFFFAOYSA-N
-338CDF9D1B73EF77_8DAA83185564A66B_6034_UN,C1CC(=CCN1)C2=CN(C3=C2C=CC=C3)C4=C(C)C(OC4)=O,ORURDVLWWAYRGJ-UHFFFAOYSA-N
-35788566830DBC6E_DE3B49662D16E65E_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O,SUOPSNRQYFPRRV-UHFFFAOYSA-N
-366C4FEDD77B87C9_0EB87BB296F560EC_6041_UN,CC1(C)CCC(=O)C2=C1C=CC(=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,FGAJIGOQLSSBAA-GOSISDBHSA-N
-38CEC0CFFDBB03E3_7BEEDB0066D1F9E3_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC(CCOC)C3=CC=CO3,AWGHTMUQMSTXFC-UHFFFAOYSA-N
-42012D442E847289_9A90EB1F90BB28F2_6039_UN,CC(OCC1=C([S](F)(=O)=O)C=CC=C1)(CC(=O)O)C(=O)O,PUDVMEMBYDTOEW-UHFFFAOYSA-N
-4538E2002BC58212_369013459C4FB080_6038_UN,CN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C3(C(C)=O)CC3)=O,PFUXTRJQKSDZTP-UHFFFAOYSA-N
-45D8831C0AD3DC39_CC50ECD3B3F4AA1F_6038_UN,CC(OC(=O)C1=CC=C(O1)[S](=O)(=O)O)CC2=C(C(=CC=C2)F)Br,SKPGUNFTIQWOAD-UHFFFAOYSA-N
-47CE148AB478D806_9518860A25808059_6039_UN,CC3=NC1=C(C=C(C=C1)COCCCOC2=CC=C([S](Cl)(=O)=O)C=C2)S3,BPFGLBFTXNTVNZ-UHFFFAOYSA-N
-499169099412D55D_449A7BB506FC543B_6038_UN,CC1=C(C(=CC=C1)C#N)SC(=O)C=CC3=NC2=C(C=CC=C2)S3,ISZRECPEARROIA-UHFFFAOYSA-N
-49E1D23F9B1DA62C_B5B8CE697B492050_6041_UN,CC1(C)CCC(=O)C2=C1C=CC(=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,VEBKZVDEUXKJFE-GOSISDBHSA-N
-4B1A8EA0A368539D_27BAE48935D0DBEF_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=N[N](C)C(=C3Br)Cl,JAGZYXBLNOUNJZ-UHFFFAOYSA-N
-4B54E2A0C534F9C9_90847AD46AAC96AA_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NCC4(CC4)C#N,CTTXLHMHSLGLLS-UHFFFAOYSA-N
-4CBE9FAE1CE73A4C_776EB8DEA0BA7950_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(F)C4=C(C=C3)CCC4)(=O)=O,ZKBJPNHCTSWVKX-UHFFFAOYSA-N
-4CE7F868D852508D_DD5ECAD56CCBB3E2_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3(C)C4=C(OCC3)C=CC=C4,UELUOVZFCZUDHA-UHFFFAOYSA-N
-4D449A75F3E85D79_1493563086414F57_6038_DP,CCC(NC(C3=CC2=C(N1CCNCC1)C=CC=C2S3)=O)C4=NN=N[NH]4,VXVBZHNKOCUFQZ-UHFFFAOYSA-N
-4E9262C77996BD50_33B610FA1108FC2D_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC3=C(C=CC=C3)Cl,YDTZGJJBXVRJKP-UHFFFAOYSA-N
-4EA1A5CEECBDA850_5D9937623A3AB2C0_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=C(C)C=CC=C3CBr)(=O)=O,SKZAISQKTJQHCD-UHFFFAOYSA-N
-4F2AE4B060E213CD_FE5FF47FB9CDDD15_6041_UN,CN(C)C1=NC(=CN=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,ZCILMGSMUWBHFO-GFCCVEGCSA-N
-50B93676EC4DF23A_49818ADC74D81AE4_6038_UN,N(C1C2=C(OC1)C=CC(=C2)F)C(C3=CC=NC(=N3)C4N(C)CCOC4)=O,HPSJCMNLYDLABS-UHFFFAOYSA-N
-522B5EE41DE1FF29_8F7B9224BF79DDC3_6034_UN,CCC1=CN(C2=C1C(=CC=N2)Cl)CC3=NC(=C(N(C)C)O3)C#N,UBKTXOIAZKHBGT-UHFFFAOYSA-N
-561579777758291B_576B152C346D91BC_6041_UN,C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)NCC4(CCC4)C#N,JTPFMPUTMAFTSY-UHFFFAOYSA-N
-565514E693E4B862_9B51FE80BCB0A679_6041_UN,CC1(C)CC(=O)C2=C1C=CC(=C2)NC3(C)C4=C(OCC3)C=CC=C4,PKWRKDRNIJITFT-UHFFFAOYSA-N
-5677B4F018F79E87_8FD99A56966AAF90_6035_UN,CO[C@H]4C[C@@H](OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3)C4,PBOFLESFGWLBKU-IYBDPMFKSA-N
-58801917798CB332_B39C7B47F4DBFF97_6038_UN,N(CC1=CC=C(C=C1)C2=NN=N[NH]2)C(C(NO)CC3=CC=CC=C3)=O,IMFXXJLDAOEWMW-UHFFFAOYSA-N
-59505B78C2C65DF4_9E0CEF5C0551CE48_6041_UN,CN(C)C1=NC(=C(C#N)S1)N[C@H]2C4=C(O[C@@H](C2)C3=CC=CC=C3)C=CC=C4,IHVMJMTWMRHVQV-AEFFLSMTSA-N
-5B592B8DB592F981_6A2823B07341C38F_7005_DP,C[P](=O)(C)C1=CC=C3C(=C1)N=C(C2([S](C)=O)CCNCC2)[NH]3,BSROYPUFLDEKRQ-UHFFFAOYSA-N
-5BBC70DD4990613F_5F59D94CA935E373_6041_UN,C1(=N[NH]C=C1C2=CC=CC=C2)NC3CCN(C)C4(C3)CC4,JEICXHOCBJYPLR-UHFFFAOYSA-N
-5CA1C1B7DC98BF10_ECEA851C06B928CF_6041_UN,CC(=O)C1=C(C=CC=N1)N[C@@H]3C2=CC=CC(=C2OCC3)C,CZGAVAJHUNTHDC-AWEZNQCLSA-N
-5ED14A8F4A8659B5_3DB6FEF489F9054B_7019_UN,CC(C=CC2=C(OC)C=C1OCOC1=C2)C[S](=O)(=O)Cl,QWWSJSZUEBRMOI-UHFFFAOYSA-N
-5FB1B7166E1382F9_797E5047C24B6600_7022_UN,C2(=C1CCOC1=CC=C2)NC3=NC=C([S](N(C)C)(=O)=O)C=N3,ITQXOVZPDAKPNN-UHFFFAOYSA-N
-6281F5A412E556DE_16B79109C0E79CDD_6026_UN,O=[N](=O)C2=C1C=CC=NC1=CC=C2[S](=O)(=O)N4CC3=C(C=C(Br)C=C3)CCC4,RWVQVZYQJBFKAG-UHFFFAOYSA-N
-6422202FADE30FDE_BC64A293AF61CE65_6041_UN,C1(=N[NH]C(=N1)C2=CC=CC=C2)NC3CN(C)C4(C3)CCCC4,KVANNONFUDWSQC-UHFFFAOYSA-N
-649035D8D00E5A0E_36F6F6C8C857621A_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(CF)C=CC=C2)(=O)=O,XCVBXLNKFZSFIG-UHFFFAOYSA-N
-64B35CC6F139A0D4_A2D01F86B4FD9EBE_6041_UN,CC1(C)CCC(=O)C2=C1C=CC(=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,VEBKZVDEUXKJFE-SFHVURJKSA-N
-65824A55BB0F5E3B_C29A48514DCC0AF4_6038_UN,CC1=CC=C(C=C1)C2=CC=C(C=C2)OC([C@@H](OC)C)=O,ZOPMDLNCXKKUTM-ZDUSSCGKSA-N
-665AF4947829B61D_375294B4DF60BC7A_6035_UN,COCC(C)OC3=CC1=C(C(C(=C(C)O1)C2=CC=CC=C2)=O)C=C3,TZLQIEDGAHNRMK-UHFFFAOYSA-N
-665DE218771CD270_8E76AB4916475CC6_6034_UN,CC(N)C2=NC1=C(C=CC=C1)N2CC3CCCCCC3,LUIFHTNPHKTFSE-UHFFFAOYSA-N
-6681C6FB0F6A8122_E10EF4308A41FA6A_6041_UN,SC1=NN=N[N]1C2=CC(=CC=C2)NC3CC[Si](C)(CC3)C,DWPPZJPGFRKWIY-UHFFFAOYSA-N
-66D758B92BD82B9D_92E59744EE6631BA_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(OC)C=C(C(=C3)OC)CCl)(=O)=O,YCKJTGVMPSLVMI-UHFFFAOYSA-N
-679E2011AF309E70_82B057B34BD8C931_6038_UN,N([C@@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,BISUUPMYHITBPH-IBGZPJMESA-N
-67E664B42526E753_3B14F198A3965958_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=NN=C(C3=CC=CC(=C3)C)[N]4C)(=O)=O)C,NDEBERPMAHSRQE-UHFFFAOYSA-N
-683FFBBA6E28E691_AF3F0C300686C26E_6003_DP,N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=C(C(C)=O)C(=C3)F,LQTCGQXDCLEZHJ-UHFFFAOYSA-N
-68AB398FDB7CFCE0_C77D57A2081E679C_7019_UN,C[C@@H](NC(=O)C=CC1=C(CO)C=CC=C1)C2=CC=CC=C2,NOPOLLMAKNFQDG-CQSZACIVSA-N
-6A236EE2C4C393C3_BD0C69466998A0E2_7019_UN,CCN4CC(C)(C=CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)C4=O,DVWHMCLTYJAIAC-UHFFFAOYSA-N
-6AA23770D24E638B_0D7BA587F8BC5C81_6038_UN,CC1=C(C=CC=C1OC(C2=NOC(=N2)C3(C)CC3)=O)[N](=O)=O,SWEOAQORALDCHZ-UHFFFAOYSA-N
-6BAA0EA5215A591F_44647E704D37124A_6041_DP,CN1CC(=O)OB(OC(=O)C1)C2=CC(=CC=C2)NC4=C[N](C3CNC3)N=C4,ZTYPLHFJDAQXDC-UHFFFAOYSA-N
-6C08CF3F6E05E9F1_08823BC754DEBACB_6041_UN,C1(=CC(=CC=C1)C#CC#N)NCC2=NN=C(C(C)C)[NH]2,NCULLGBFYJFLPV-UHFFFAOYSA-N
-6DCBE3AF3E0BE727_4ECC9B3A25442F15_6041_UN,CN(C)C1=NC(=NC(=N1)C)NC2C3=C(OCCC2)C=CC(=C3)F,MTSKPQLUPQAHTR-UHFFFAOYSA-N
-6F3A5BEE1198D056_A4CEEDABE1CD7F8B_6034_UN,CC(N)C2=NC1=C(C=CC=C1)N2CC3CCCCCCC3,SAUOCXGXJCPLKP-UHFFFAOYSA-N
-6F8F9E897C90B4B7_6E1FA0E142231D6F_6041_UN,CC1=C[N](=CC(=C1)N[C@@H]2CCOC3=C2C=C(C(C)C)C=C3)=O,GPLKIYDLEGWITE-QGZVFWFLSA-N
-71967BFCB4B44857_12EAF0A0A302CFEE_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=NC=C3)[N]4C5CC5)(=O)=O,AYQXJKNMAGFHRG-UHFFFAOYSA-N
-7340FB7EB45C9FB1_6607F246424A6442_6038_UN,N(C1=CC(=CC=C1)B(O)O)C(C([N]2N=NN=C2C)CC3=CC=C(C=C3)F)=O,IXZWEBISSDLQCD-UHFFFAOYSA-N
-7552B5384D866B15_E259BB13276A0392_6038_UN,N(C1=CC(=O)NC(=O)C1)C(=O)C2=NN(C(=O)CC2)C3=CC(=CC=C3)F,AULKTEDPOKRHKZ-UHFFFAOYSA-N
-7632FC20B2CB37C4_2B453CD6E171A05F_6038_UN,CC1=NC4=C(C(=C1)OC(=O)C2=CC(=CC=C2)N3CCOCC3=O)C=CC=C4F,YTNLTRZJMSSXFB-UHFFFAOYSA-N
-7667E33BE9DC06BB_6E59AFE09994259F_7019_DP,N1CCN(CC1)C(=O)C=CC2=C(OCC)C=CC=C2F,PAZCMKUIVCKCBL-UHFFFAOYSA-N
-7E2C6BA8CF79DCDE_50B9ACD5AE59172D_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCNC4)C5=NN=N[NH]5,LAWURTMQLISKOO-UHFFFAOYSA-N
-7E61BB1E0A7ADA7B_CBE8AA888EF4D104_6029_UN,N(C(CC=C)CC1=CC=CC=C1)[S](C2=C(CCCO)C=CC=C2)(=O)=O,HVITZMIODXHQRX-UHFFFAOYSA-N
-81321CA702A22844_0581D4646A1C4718_6038_DP,N3C[C@@H](NC(C2=CC=C(C1=NN=C(C)C=C1)C=C2)=O)[C@H](C3)[N]4C=CN=N4,TZOHIKPDOFPEMP-SJORKVTESA-N
-821C6A8CDBAD4BFC_7ED17554D33B8BB3_6029_UN,CCC1(CN(C1)[S](C3=CC2=C(CCCCC2O)C=C3)(=O)=O)C4=CC=CC=C4,PKPINBJLDNRCEC-UHFFFAOYSA-N
-8570C8F871911819_96EA4C1A6CA2D523_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)Cl)Br)Cl,WQPRNYHKUIAZCB-UHFFFAOYSA-N
-8790924E3EF6EA0E_21D88ED552561A61_6038_UN,CC(NC(C1=CC(C)CC1)=O)C2=CC=C(C=C2)C3=N[NH]N=N3,LDNXWYHGJJZOQV-UHFFFAOYSA-N
-88CF6AECC481E7A4_19104510246DB95B_6029_UN,C[Si]1(CN(CCCC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C,SFJLEPWBMWYBPZ-UHFFFAOYSA-N
-895A8A0E4D84F177_461C9B21E113F7F3_7019_UN,C(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C=CC(=C3)C)O,JIOBXQXXCXTXIR-UHFFFAOYSA-N
-8A3DE53C0757A6FA_BD4B0B8DE5CB4884_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=C(F)C=C3C(COC3=C4)=O)(=O)=O,DXTQPORXOOMMHH-UHFFFAOYSA-N
-8A422ABCC2A77957_39DC0E2BF7CE5A50_6039_UN,OC(=O)C(OCC1=CC=C([S](F)(=O)=O)C=C1)(C=C)C(F)(F)F,AJAUUUZNIAULKM-UHFFFAOYSA-N
-8AB97204689384DE_3DBDB76D9C53A51D_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCC=CC2=CC=C(C=C2)F)CCl,PLQPOJRYUSTBJZ-UHFFFAOYSA-N
-8AC32EDD8926CC42_1DC343354B9730EB_6038_UN,CN1CC2=C(CC1)C=C(C(=C2)OC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34)F,QZDKPCSEMOBHNG-UHFFFAOYSA-N
-8AC84AE613B39AC6_C464C30C96481FC1_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=CC(=C(CBr)C=C2)CBr)(=O)=O,CSZTUMIRCVRYPD-UHFFFAOYSA-N
-8B18896861B068CA_C8D88E158371675E_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=CC=CC(=C2CBr)CBr)(=O)=O,BLYHBKZTYLNSFJ-UHFFFAOYSA-N
-8CABE542E5877A7A_34D35383AEA3C5D4_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,HHMUMKGCYGNMFA-FQEVSTJZSA-N
-9299C8432161BA7C_E0DFF827ECA5C844_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CCCC3=O)NC5=C(C(N4CCN(C)CC4)=O)C=CC=C5,MYEZRFLIWIHCKL-UHFFFAOYSA-N
-94B1F4BC4CF0865E_73006CE12CB51141_6041_UN,O=[N](=O)C1=C(C=CN=C1NCCOC(C(C)=C)=O)C#N,OGDCNMQPSKCDQY-UHFFFAOYSA-N
-954B4630786C1328_F949D4603CFD8221_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=CC3=C(C=C2)OCO3)(=O)=O,FOURJGYWJZNZOL-UHFFFAOYSA-N
-96AD92F49D015CA4_068D03F3C40C13DE_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=C(C(=CC=C3)Cl)F,JOPDIOIGUWKRSF-UHFFFAOYSA-N
-97B3F8F12982DA25_13BF04377D061DF9_6038_UN,CC1C(CC2=C(O1)C=CC=C2)NC(C3=CN=CN(C)C3=O)=O,MAQIGOWXTUSIRY-UHFFFAOYSA-N
-9880973EC3418534_D8A4A2EFB3AAADB1_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C3=NN=C(C2=NC=CN=C2)[N]3CC4=CC=CO4)(=O)=O,SYYMPIOEJFBKLF-UHFFFAOYSA-N
-9903FE3A44219C20_6150EB0FA4E76F0E_6041_UN,CN(C)C1=NC=NC(=C1)NC2C3=C(OC2)C=C(C=C3)F,PVFDLKXETCEAFR-UHFFFAOYSA-N
-99975E42F424A0FB_22BFFB93C8CE3089_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC4CCC3=NN=C(C2=CC=C(C=C2)F)[N]3C4)F,GQVFFLBMQMSTSH-UHFFFAOYSA-N
-99DBDDC746F181BF_BA2CD264F1ED317E_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C3=C(C=C(C=C3)Br)F,HJZAKPJPQGECEH-UHFFFAOYSA-N
-9AF4554D52F7D3C6_040A28F52796D96F_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)N[C@H]3C2=CC=CC(=C2OCC3)C,ZGXHAIUOUAVIRH-GFCCVEGCSA-N
-9CAD2D142A02917E_8162F0EAA99FD613_6034_UN,O=C4NC(=O)C(=CC1=CN(C2=C1C=CC=C2)CC3=CC=CC(=C3)OC)N4,XPRSHZAARJGLCF-UHFFFAOYSA-N
-9D7202AAA15FB2F5_223B722A8B4AF340_6038_UN,N(C1C2=C(OC1)C=CC=C2)C(C3=CC=NC(=N3)C4N(C)CCOC4)=O,PWWCKDWBBCLMLW-UHFFFAOYSA-N
-9FD13CA1A7F98E35_8A714011B53019D7_6029_UN,C1CN(CCN1[S](C2=CC=C(C=C(C)[N](=O)=O)O2)(=O)=O)C3=CN=CC4=NN=N[N]34,ZZBMVMDMZAAKMY-UHFFFAOYSA-N
-A19D30EB0B428E1E_4ACFCBD4C6AD874C_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(CCC(NC2=NN=C(C)S2)=O)=O,BUMIWQQYYGJCTH-UHFFFAOYSA-N
-A202D72CC18A8248_79E2557D3594025F_6038_UN,CC1=C(C=C(C=C1)OC(C2=NOC(=N2)C3(C)CC3)=O)[N](=O)=O,CMQIEYQJXSNZNQ-UHFFFAOYSA-N
-A2A827D3D598490D_162F087F6EA59145_7019_UN,F[C](=[C]3CC[CH](C=CC2=CC=C(C1=CC=C([N](=O)=O)C=C1)O2)CC3)F,ZOZBZPNGUNAIRH-UHFFFAOYSA-N
-A563BA3C42909AED_FDAA586FE00C0CFF_7013_UN,N2=C(C1CC[S](=O)(=O)CC1)[N](C3=C2C=CC=C3)CCN4CCOCC4,GPWMMMWFKJMJTM-UHFFFAOYSA-N
-A693017D454814CF_ACEFDD9231037691_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=CC=C2)[S](=O)(=O)F,STYSKBBCEIFWPP-UHFFFAOYSA-N
-A6E5FA0254395A06_46C9AB239FA96F47_6041_UN,CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[C@@H]3C4=C(OCC3)C(=CC=C4)F,NGKIOVILDBNLES-AIBWNMTMSA-N
-A8C5BF6466354D89_DEF190879FFEC5E7_6041_UN,CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)NC4C3=CC=CC(=C3OCC4)C,KNAIJYPGDAOLCU-UHFFFAOYSA-N
-A985EE1297026502_929375601F561938_6039_UN,CC(OCC1=CC=C(O[S](F)(=O)=O)C=C1)C[S](=O)(=O)Cl,FQPAQALTQVCJQB-UHFFFAOYSA-N
-A996A295816E1A36_59ED58F8CFCD34E6_6041_UN,CN(C)C1=NC=NC(=C1)N[C@@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F,PUJFZBIRKTYVAL-ZDUSSCGKSA-N
-AAB7F199CAAEF833_069F18E03DA19F7E_6041_UN,CC(=O)C1=C(C(=CC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)C,HFGSVCXPRKLFFS-INIZCTEOSA-N
-AC049172AA92DEA3_05F7472A36C6C232_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(OC)C#N)C=C3)(=O)=O)C,KNILKSSTDMSODV-UHFFFAOYSA-N
-AC0A85A5519103C3_9F9D404D8C1FE85E_6041_UN,C1(=CC=C(C=C1)CC(=O)C2=CC=CC=C2)N[C@H]3[C@H](OC)CC3,RAMQEMZIAUGSPE-IEBWSBKVSA-N
-ACD5BBFD9089873E_98A5A3D4CF08C46C_6041_UN,CC(=O)C1=CN=C([N]1C)N[C@H]2C3=C(OCC2)C(=CC=C3)F,NFQKXEAERLBROE-GFCCVEGCSA-N
-AD9F00915D1188C7_1430883B9FB206A9_6038_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)C(CCCC(N(C)C)=O)=O,MRGIVHAXDDGCAC-UHFFFAOYSA-N
-ADB12857E0B6FCED_EEA250A4000FF2AD_6029_UN,N(C1(CCC1)C2CCC2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,CKYQWOAHWVTUAD-UHFFFAOYSA-N
-B0250C704EF7C6DA_666F149E89D9B585_6041_UN,SC1=C(C=CC=C1NC(C2=NC3=C([N]2C(C)C)C=CC=C3)C)C#N,ZKAWGEDJDORGHQ-UHFFFAOYSA-N
-B2959021787DE681_3D4BFB7074C1E8DD_6003_UN,O(C2(CC1=CC=CC=C1)CC2)C3=CC=C(C=C3[N](=O)=O)[S](=O)(=O)Cl,JPBSRDISMDONMP-UHFFFAOYSA-N
-B2D1424737D6281B_1C8687A5FC979CC9_6041_DP,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3=C(CNC3)C#N,OJKKVFFLWWJYNW-UHFFFAOYSA-N
-B429B8372FEE5A6F_18911086D5731250_6035_UN,CC(C)C1=CC=CC(=O)C(=C1)OC2=C(COC)C=CC=C2,DXBPVYBYJMCNFT-UHFFFAOYSA-N
-B67466ED9409A632_2E7EF084D909790A_6008_UN,COC1=C(C(=CC=C1)OC)C2=CC=CC(=O)N2CC3=CC=CC=C3,RJIACGUTFLIMAN-UHFFFAOYSA-N
-B854773F21C35FC1_47678DF4D1CAB7F6_6038_DP,CN1CC(=O)N(C1=O)C2=CC(=CC=C2)NC(C(C)=C3CNC3)=O,MVGUMBXBJUTPAJ-UHFFFAOYSA-N
-B97216832E6E5FAB_83535AF348E54D4D_6026_UN,ClC1=CC=C(C=C1)C2=N[NH]C=C2[S](=O)(=O)N5CC4(ON=C(C3CC3)C4)C5,TZSFHYYEMIMNSC-UHFFFAOYSA-N
-BA84013009F940E6_CE58EEEC4AF2F791_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(F)C=CC(=C2)CBr)(=O)=O,CFAOQRUOWIBRLU-UHFFFAOYSA-N
-BACB40401229A02C_7C3C73ECE35A3F4E_2875_UN,CCC3(C[N]1N=NC(=C1)C(C2=CC=C(C)C=C2)=O)COC3,PEWGSWWAHQPVEM-UHFFFAOYSA-N
-BE3B9142BFBFAF62_FF8537F24F14EF3C_6003_UN,CC(OC1=CC=C([N](=O)=O)C=C1[S](=O)(=O)Cl)CCC2=CC3=C(C=C2)OCO3,VQYLVLXEWBGFMW-UHFFFAOYSA-N
-BE63EED6032F0CEE_9E93B47D50DBB508_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@H]3C2=CC=CC(=C2OCC3)C,PMMIQNQPNPANQG-GFCCVEGCSA-N
-C113A54667BA892C_001C73A492D88A90_6038_DP,N(CC1=CC(=CC=C1)C2=NN=C[NH]2)C(C3CSCN3)=O,MKTZOOWFEMKFKL-UHFFFAOYSA-N
-C1AA48143629BA56_22546703261469BD_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC3=C(C=CC=C3)F,YCWHHNDISWQKOE-UHFFFAOYSA-N
-C2A58396C15648DA_FCF072F399E8936A_6035_UN,O(C1(CNC1)C2=NN=N[NH]2)C3=C(C(N(C)C)=O)C=CC=C3,FAFJBBGWHSMGKM-UHFFFAOYSA-N
-C2E6375ADEA67D3F_B86E4930900C2D1E_6028_UN,N(CC1=C[N](=CC=C1)=O)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O,VAKJUJRWESSSFU-UHFFFAOYSA-N
-C5502413BE945E48_C13A47C5B35471C8_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NCC4=CC(=C([S](CC)(=O)=O)C=C4)F,MFGJRJNOCNYBIF-UHFFFAOYSA-N
-C62E97DCFB5C239F_D97CE71ED01F71D3_6038_UN,CN(C)CC1=CC(=CC(=C1)C)NC(=O)C2=NNC(=O)CC2,BYOANGFRPJZZSH-UHFFFAOYSA-N
-C708045A4DB935B7_FCE8EF1277DCB3AB_7019_UN,C(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)=CC3=C(C)C=CC=C3O,BLOLPFXMYLDADB-UHFFFAOYSA-N
-C7CE2B6227FE009D_D187241B74A614E8_6038_UN,N(CCC1=CC2=C(C=C1)N=CC=C2)C(=O)C3(CCOCC3)CC4=CN=N[NH]4,YYZNAHLDCOBWAS-UHFFFAOYSA-N
-C81EA13288E7251C_0D981D433ACB5D30_7022_UN,C1(=CC(=CC=C1)C2=CC=CC=C2)OC3C[C@@H](OC)[C@@H](C3)OC,RHKONWJDZTUYMP-RTBURBONSA-N
-C9DE95AC795C141C_756E5F72D38E0BAB_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,LDGSFJRKKTZECQ-UHFFFAOYSA-N
-CBD691485006675C_31149F0291BDB181_6034_DP,NC3=NN=C(NC1COC2=C1C=CC=C2)[N]3CC(C)N,LLLCQMPKFLIFNA-UHFFFAOYSA-N
-CC836E2B8DD53CBA_52233F63FAFC8D8A_7019_UN,C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)=CC3=CC=CC(=C3O)C,DGCFCRAWZDYBEE-UHFFFAOYSA-N
-CD20B8252F25B6D9_E9B7B00C46BAB348_6004_UN,C2(=C1CCNC(C1=CC=C2)=O)C3=C(C=CC(=C3)C(C)(C)C)O,AMKHAAPUEJDCSD-UHFFFAOYSA-N
-CD41A76328D71762_2936379E4F2F7DD6_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=CC=C2)[S](=O)(=O)Cl,QRZPLUAAEWHDNM-UHFFFAOYSA-N
-D145469A4D98A7F3_9E030F01430F5276_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,KCUFYAAODDFFCR-IBGZPJMESA-N
-D21929374B4ACC83_D26C971F48C7DDB6_6041_UN,CN(C)C1=NC4=C(C(=N1)NC2CC3(C2)N=N3)C=CC=C4,FTMAQINKUVZWHX-UHFFFAOYSA-N
-D327DE45564B6C71_B36475A0586FB007_6028_UN,CCC1=CC=C(C=C1)N3CCC(N[S](C2=CC=CC=C2)(=O)=O)CC3,UONZZQADRJBBHF-UHFFFAOYSA-N
-D498DF47D919A075_377DD3D571FA9273_6041_UN,CC(C)C1=CC2=C(C=C1)OC(=N2)NCC3=NN=C(N(C)C)[NH]3,QUAWOKAMONEDAL-UHFFFAOYSA-N
-D53C1CDEE5E16EAB_0A2CE04AE92FD75D_6041_UN,CC(C)C1=NC=C([N]1C)NC2C3=C(OCC2)C=CC(=C3)C4=CC=CC=C4,YWDKSOKPUHWHCO-UHFFFAOYSA-N
-D59D51EB91A3A445_E56C84F7B9213E9C_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)F)Cl)Cl,KATQQXNTUQQBHL-UHFFFAOYSA-N
-D64FE60756046EDB_B98F98A340AF539D_7019_UN,C(C(=O)N1CCC(=CC1)C2=CC=CC=C2)=CC3=C(O)C=C(C(=C3)F)F,LWSPCWIPQSTXOK-UHFFFAOYSA-N
-D9CEF77EA6D210EC_E613A911998BA226_6041_UN,C[S](=O)(=O)C1=NC(=CC=N1)N[C@@H]2CCOC3=C2C=C(C)C=C3C,QTGLBCDHTNVSJH-CYBMUJFWSA-N
-DCA2BF26CBA48110_8EA32377E959FD49_2201_UN,CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)[S](=O)(=O)Cl,CJDVHHOBSQXHHR-UHFFFAOYSA-N
-DE46A254C0FD09CD_26BE1F12D21BF295_6041_DP,CC(=O)CCC1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,ZGZYZRJMNFJJJK-UHFFFAOYSA-N
-DE813B1DDAE10EE9_E9D8AB7C1626DD94_6041_UN,C1(=CC2=C(C=C1)CC(=O)CC2)N[C@@H]4C3=C(C(=C(C)C=C3)C)OCC4,WKCGOXSALINCKR-FQEVSTJZSA-N
-DF250953A0AE207C_708A31EB6E985C2B_6034_UN,CC(N)C1=CC2=C(C=C1)N(C=N2)C[C@@H]3CCCO[C@H]3C4=NC=C[N]4C,FAEQPMPBCCAEAX-MSFQCOKLSA-N
-E0F495C7BD6971BA_8B2546F637E31B9C_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC3=C(C=CC=C3)Br,OJDZNRLOMXRAJZ-UHFFFAOYSA-N
-E1475E631BA89CA9_91B80FA82FEA4F25_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=C(C(=CC=C3)F)Br,GFEWRYHKVIBYRI-UHFFFAOYSA-N
-E283E1CFEC53BB12_AC611C316E8537D5_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C(=C2)Cl)Br)Br,WWAZCZDJZNMSFX-UHFFFAOYSA-N
-E671B54430C26B28_960125DE457F38D5_6003_UN,O(C1=C(C=CC=C1)C2=CC=CC=C2)C3=CC=C(C=C3[N](=O)=O)[S](=O)(=O)Cl,BZHRIUIGSGWTSA-UHFFFAOYSA-N
-E7FC29E5CDC81A25_E1E9320A48EDC58F_6038_UN,CN1CCN(CC1)C2=C(C=C(C=C2)COC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34)F,UXDDDRYWNCCXAX-UHFFFAOYSA-N
-E8CD76910E47125B_11FD879526E4DB3D_6041_UN,CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,HIIWRUNCYSZVKJ-HXUWFJFHSA-N
-E949FCB6D02CA487_2F82968E82F3E2B8_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=C(F)C=C(C=C2)CCCl)(=O)=O,ZSJJJABTPZJZEA-UHFFFAOYSA-N
-EA465340792F62DE_FBCDD98F5C806D44_6035_UN,CC(COC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C3=CC(=CC=C3)Cl,IYCWZCRWAPDHNO-UHFFFAOYSA-N
-EBEAD2DD1D308CEA_94EA2E56695BD88B_6041_UN,O=[N](=O)C1=NN=C([NH]1)NC2=CC=CC3=C2OCCC3N(C)C,QEFHQJPLNANQFE-UHFFFAOYSA-N
-ED0132377A7738EE_F8B9B75CD39F8089_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C(=C(C=C2)[N](=O)=O)OC)O,VVCMGFCQLKUXIX-UHFFFAOYSA-N
-EE921A2CB970596A_0AD7F720EEF48035_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC3(CC3)C4=CC5=C(C=C4)OCO5,WOUSZQWTLQASQU-UHFFFAOYSA-N
-F291DA896ADAD45E_31B9422A2CB989ED_6041_UN,C1(=NN=C2CCOCC[N]12)NC3CN(C)C4(C3)CCC4,LQRHQHAJPVSBCC-UHFFFAOYSA-N
-F2A9BC65263110E3_20D72C1F9FC036D1_6038_DP,N3C[C@@H](NC(C2=CC1=CC=CC(=C1S2)C)=O)[C@H](C3)[N]4C=CN=N4,IEHWJKMNZIJCOE-OLZOCXBDSA-N
-F41CE97A697C8AB5_0E2E9C9B0070F381_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3CC2=C(OC)C=CC=C2OC3)=O)C=CC=C4,HMNIWVJIFPXWKB-SNVMCYLTSA-N
-F6B7984B1F4E37D9_736AC8CF7B80D632_6003_UN,CCC(OC1=CC=C([S](C)(=O)=O)C=C1[S](=O)(=O)Cl)CC2=CC3=C(C=C2)OCO3,DQBQOYWWRDGRQY-UHFFFAOYSA-N
-F6C39C7CD2FB322C_38B0CE0CF72D0B01_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCCCC3)NCC4=CC(=C([S](CC)(=O)=O)C=C4)F,PETVYFWELXPRML-UHFFFAOYSA-N
-F7FA181D2247E87F_C476A551DA13E3E7_6041_UN,C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC4=CC=C(C[S](N(C)C)(=O)=O)C=C4,BMFQGCPGOORTNY-UHFFFAOYSA-N
-FB0B5EDEC7E0530D_F0D0658D0B15969B_6003_UN,COCCC(OC1=CC=C([S](CCl)(=O)=O)C=C1)C(C)C,NVVIQIYWXDCDLA-UHFFFAOYSA-N
-FD4FAE1A04440C9D_37DFD79131F8AF83_6041_UN,C1(=CC2=C(C=C1)CC(=O)CC2)N[C@H]4C3=C(C(=C(C)C=C3)C)OCC4,WKCGOXSALINCKR-HXUWFJFHSA-N
-FD776D26EA75CE83_529E7DE7AE9ABC4E_6039_UN,CC(OCC1=CC=C(O[S](F)(=O)=O)C=C1)C[S](=O)(=O)O,CUURNEBIBPQEBT-UHFFFAOYSA-N
-FDB1DEA0CEFD15CB_993149E974A2E08D_6041_UN,SC1=C(C=C(C=C1)NC(C2=NC3=C([N]2C(C)C)C=CC=C3)C)C#N,PDQULMBWEBJFCV-UHFFFAOYSA-N
-FEE7F0C6FE6214C3_B3DA3B3D06B0FD31_6003_UN,CC2(C)CCC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)(CC2)C#C,QFCYJNVMTQOVCF-UHFFFAOYSA-N
-FFB903F81DA2A0C0_5E64CA5A3F44FF16_6038_UN,O(CC1=CC(=CC=C1)B(O)O)C(=O)CCC2=NC(=NO2)C3=CC=CO3,ZZPVBCUEDULBOG-UHFFFAOYSA-N
-rxn:2:125768:148296,CS(=O)(=O)c1ccc(C2CCC(NCC3(c4ccc5c(c4)OCO5)CCCCC3)CC2)cc1,CMMLWHFEXFIHBX-UHFFFAOYSA-N
-02D66C90CBBEF62E_D87ABFA95CFB30B7_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCCC(C)(C)C#N,JNOQBFFQSHUUHE-UHFFFAOYSA-N
-0540DAD732696E7A_6662AC5E4184938F_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NCCC[Si](C)(C)C,NWMKBSZDURJMBT-UHFFFAOYSA-N
-08E0A7D40AB65B46_D55F45FBA507C491_2201_UN,CC(C)CNC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C,ACIDWNYZPTZHBD-UHFFFAOYSA-N
-0A076693C86F209A_6B8A693710EE7B7F_7022_UN,C2(=C1C=CC=CC1=CC=C2)OC3C[C@@H](OC)[C@@H](C3)OC,QNQVSRVLOSMGKL-IAGOWNOFSA-N
-1119142545F03B29_EB1AB6ED0EF321AB_6041_UN,O=[N](=O)C1=NN=C([NH]1)NCCC2=C(N(C)C)N=CC=C2,DRJWITYGKFHFEY-UHFFFAOYSA-N
-12750953B31FEB86_9143E856AAF5E325_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=C3OCOC3=CC(=C4)CC#N)(=O)=O,MAFJMWOLHRWPDN-UHFFFAOYSA-N
-12D8F564E3C96CDA_8A2234893BE9AB0B_6003_UN,CCC(OC1=CC=C([S](C)(=O)=O)C=C1)(C2CC2)C3CC3,MVVKGLVOEYAZIA-UHFFFAOYSA-N
-12D8F564E3C96CDA_CDA4DFDDE15385E7_6035_UN,CCC(OC1=CC=C([S](C)(=O)=O)C=C1)(C2CC2)C3CC3,MVVKGLVOEYAZIA-UHFFFAOYSA-N
-1340F50F221E3EE8_70F6777FE1D6674E_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CCOC4=O,BYFUAWZBDCIASH-UHFFFAOYSA-N
-135BD58F0D8208B5_CABB8A5A138A52A0_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=C(CN(C)C)C=C3)Cl,IPLMPAWETXJZRX-UHFFFAOYSA-N
-1887DF8023EE43EB_F5D859EE2EE7F508_2267_UN,CCCC2(O)CCN(CCC#CC1=C([S](F)(=O)=O)SC=C1)C2,SEDRCAPKSZPHHZ-UHFFFAOYSA-N
-1980120F8FF21E37_394160C407C17912_6029_UN,N(C[C@@H]1OC(OC1)=O)[S](C2=C(CC(OC)OC)[NH]N=C2)(=O)=O,VQIRULWBNNSHRH-ZETCQYMHSA-N
-1AE3F8E8C987CA4C_3873CFCAF0A7C759_6029_UN,N(CCOCCC=C)[S](C1=CC=C([S](F)(=O)=O)O1)(=O)=O,RUPUHXQOGXPWLM-UHFFFAOYSA-N
-1D3FE060489130A0_BEB93B12A36AAAB3_6039_UN,O(CC(F)(F)C=C)CCCOC1=CC=C([S](Cl)(=O)=O)C=C1,AKJGMPSJQZRKMZ-UHFFFAOYSA-N
-22695745C31B904F_9119315EA6499314_6029_UN,C1C(CN1[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O)C3=NOCC3,ODEKUMDXHIIEDL-UHFFFAOYSA-N
-23143C87ACDCEB07_3C77BEB85B8E6457_7005_DP,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C3C5=C(C4(CN3)CC4)C=CC=C5,DWKDHIKRLBDGIZ-UHFFFAOYSA-N
-26D35391CCBA9FC6_EB7BD682C638DFC7_6029_UN,N(C1=C(CCC1)C#N)[S](C2=CC(=CS2)C3=CC=CC(=C3)F)(=O)=O,ADJRIARFVSQIDR-UHFFFAOYSA-N
-27430AA23C4BA701_BB14E994DBB669CE_6041_UN,O[S](=O)C1=C(C=CC(=C1)F)NCC3=C(N2CCCN(C)CC2)[N](N=C3C)C,BDTSWJYBUXGFKK-UHFFFAOYSA-N
-2A3716517C2354C5_7F5D31C61FCA89F0_6038_UN,CCC(OC(=O)C1=C(CCC1)C2=CC=CC=C2)COC,VLMHGKLSCNOEII-UHFFFAOYSA-N
-34501D6115293276_86E8BE2BC9F518C0_6039_UN,O(CCCC[S](=O)(=O)O)CC1=C([S](F)(=O)=O)C=CC=C1,VURXPGLEGUURAQ-UHFFFAOYSA-N
-36AC51FF53283BB2_8485E268AE0CADAD_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(C)(O)CO,QNJQFHQDRNZHLC-UHFFFAOYSA-N
-38DD70778AA87069_BFB8B5D711EEA10F_6038_UN,CC(C)(COC(C[N]1C=C(C(OC)=O)N=N1)=O)[N](=O)=O,GABPPPWVJRDXKU-UHFFFAOYSA-N
-38E9368E47F3E497_36FE95ECE4098678_6038_UN,N(C1C3(CC2=C1C=CC=C2)CC3)C(=O)CSC4=NC=CS4,UTYUUBUARJAXGW-UHFFFAOYSA-N
-3982E0EA27E24ED3_ECD14903D2BE503C_6038_UN,N(C1=C(C=CC=C1)[N]2N=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,NGPXDAMTBCTRQE-UHFFFAOYSA-N
-3C060101CBBBDF32_C681BB8950D39CBA_6029_UN,CCOC1=NC(=NC=C1)N2CCN(CC2)[S](C3=NC=C(B(O)O)C=C3)(=O)=O,YTUMYHREOAZZAD-UHFFFAOYSA-N
-3D5E4BB82823DFFD_72AA54538FF4D441_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC=C(N3N=C(C)CC3=O)C=C4)(=O)=O,MLMUGNZKBLPRNZ-UHFFFAOYSA-N
-3E43D7E774692533_D6D434B5B58B61E5_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=NC=C(C=C4)C5CC5)(=O)=O,KJDMRMOMVHAKFD-UHFFFAOYSA-N
-441A0EB639E1F712_6F08E7DA4D3830EC_6041_UN,CN1CC[N]2N=CC(=C12)NC(C)C3=C(N=C(S3)C4=CC=C(C=C4)F)C,YIKDGCXDIYYJQU-UHFFFAOYSA-N
-4512829945FC3E70_F770796943BCF8DD_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)N3N(C)C2=NC(=NCC2=C3)Cl,HZEOGOSMYCZTSW-UHFFFAOYSA-N
-511261D29DECA317_62DAEAEB65398FA9_6039_UN,O(CC2=C(C=C1COB(C1=C2)O)F)CCCOC3=CC=C([S](Cl)(=O)=O)C=C3,JZIIPPQICBWARW-UHFFFAOYSA-N
-515078BCD6384B4A_588D825939E414B6_6039_UN,O(CC1=C(C=CC(=C1)C#N)F)CCOC2=CC=C([S](Cl)(=O)=O)C=C2,YXZVRXHUJVOSEI-UHFFFAOYSA-N
-539FE310CFC7437F_09356A11326D551F_6029_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NN=C([NH]3)C4CCC4)(=O)=O,IECOIXBNKBWCHP-UHFFFAOYSA-N
-546A269EA305A4A7_9D7CA7BDD3FF2CE2_7019_UN,CCOC(=O)[C@@H]1C[C@H]1C=CC(OC)CC2=CC=CC=C2,OZHUWDUVHXBSIF-YTPLPTRZSA-N
-552A3B556EE911BD_24EE80B1398F960F_6038_UN,N(C1=CN=C(N=C1)C2=NC=CC=N2)C(C(NO)CC3=CC=CC=C3)=O,RGRXVMXFIYBXRV-UHFFFAOYSA-N
-58AA5DEE38F4E3E4_CE6E7C2C4346140B_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC3=C(CC(N(C)C3=O)=O)C=C4)(=O)=O,NDECGTLYRNHUAJ-UHFFFAOYSA-N
-58D93B500D7EC1C6_518E6C3C715A5E7E_6038_UN,C[N]1C(=C(C=N1)NC(C3ON=C(C2=C[N](C)N=C2)C3)=O)N,HWHZPGPIYVYNKV-UHFFFAOYSA-N
-5B13EFB022A0883A_7D8F6AD6B6EC4A72_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(C)(C)C3=C(C=C(C=C3)F)F,KLCHCRVPCCYAHB-UHFFFAOYSA-N
-5B991DE4FEC10731_1C2B0DAE38271D2E_6003_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C([N](=O)=O)C(=C2)F)F)C=C3,VWZJHZXHTWADAL-UHFFFAOYSA-N
-5C6E2048575ED38F_C348B803F9956C01_6029_UN,OC1(CN(C1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=C(N=CC=C4)F,FWGAXAOUPOEFQA-UHFFFAOYSA-N
-5CAED8067D8BF2A3_5048215FE67A3650_6038_UN,CC1=CC4=C(C(=C1)NC([C@]23C[C@@H](OC)[C@H]2C3)=O)C=CC=C4,UQELYWVLBCFLOQ-QGPMSJSTSA-N
-5D44936903F79DC6_3EE98BD8B0233024_2267_UN,CCCCC(O)(CCl)C#CC1=C(C=CC=C1)C(=O)N2CCNCC2,ZTLIUZHOZSKIPP-UHFFFAOYSA-N
-5EB865759C7FE9AB_DA40FB28403E2B80_6028_UN,N(CC1=CC=C(C=C1)B(O)O)[S](C2=NN=C(C(C)(C)C)O2)(=O)=O,QGGIJUCFXSOZGE-UHFFFAOYSA-N
-6102C03E489DA553_1C9E15C42C6343C4_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NCC3OC(N(CC(C)C)C3)=O,ZLDLYPDUQSTVES-UHFFFAOYSA-N
-6508EA48A720572C_C67D3DC586D7B04E_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=C3OCOC3=CC(=C4)CCl)(=O)=O,WTZZGZLYOKUWQX-UHFFFAOYSA-N
-66664494CFDBEF5C_2854BAD1B6EDECF2_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=NC=C(B(O)O)C=C2)(=O)=O,LIZUTCQRHKYNQO-UHFFFAOYSA-N
-68E5F0483BF0CCBC_EC539A96630EA92D_6003_UN,CC3=CN1C(=NCC(C1)OC2=C(C=C([N](=O)=O)C(=C2)F)Cl)C=C3,OSCHVQHSVHAYNQ-UHFFFAOYSA-N
-6970488426F97618_8A61A25E835D369C_6029_UN,CC3=NOC1(CN(C1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O)C3,XJRNJKYOMYCSPZ-UHFFFAOYSA-N
-6B8BDC82C8353547_153A4E8B6452C531_7019_DP,N3CC(C)(C=CC2=C(N1CCN(C)CC1)C=CC=C2Cl)C3,XMXCLNDFCVDRNR-UHFFFAOYSA-N
-6B8BDC82C8353547_9144AEC86861E383_7019_DP,N3CC(C)(C=CC2=C(N1CCN(C)CC1)C=CC=C2Cl)C3,XMXCLNDFCVDRNR-UHFFFAOYSA-N
-6F9FB8300F9894A4_20CE4C76C3C53D1A_7019_UN,O=[N](=O)C1=N[N](C=C1)CC=CC3=CC2=C(C(C)(C)OB2O)C=C3,ZLZFPFDASCFGGH-UHFFFAOYSA-N
-70BA88ECAF418465_12ED69C52E796317_6038_UN,OB(O)C1=C(C=CC=C1)OC(C3=C(C)N(C)C2=NN=N[N]2C3C)=O,DWGGCOPNOUKWTQ-UHFFFAOYSA-N
-73AEA26BFE55F056_56CE4B6B1BB8A009_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=N2)NC3=C(CCC3(C)C)C#N,GRCKNZDTNVHQJG-UHFFFAOYSA-N
-74FE9A97A9F86AEB_2284217FEE66A2B5_6038_DP,N1CC(=C(C1)C#N)NC(C2=CC=NC3=C(C(N)=O)C=N[N]23)=O,UEANPDXYUVELMR-UHFFFAOYSA-N
-773A6E55FA977E6C_926A10553349F3B4_7022_UN,C1(=CC=C(C=C1)C(F)F)OC2CC(OC)CC(C2)OC,PDNONVBEBVYQPF-UHFFFAOYSA-N
-7CF92462E2F2A997_67AF83FFBEEA64C5_6039_UN,CO[C@@H]1COC[C@H]1OCC(OC(C)C)C2=CC=CC=C2,GONQVMHVCJAMMV-ANGDWKNPSA-N
-7FA22626E75CAE5F_29E78023716ED529_6039_UN,O(C1=C(C=CC=C1)OC2=C(C=C(C=C2)C#N)F)CC([S](F)(=O)=O)=C,JCVYRKILTBEXIR-UHFFFAOYSA-N
-80DB03209CB92697_E904B8BBB52C1D45_6029_DP,ClC1(CCN(CC1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=NC=CS4,OIISAQUHSZLQIB-UHFFFAOYSA-N
-812318F20D8FDDC4_C2D7B4ED5DEFCF61_6029_DP,FC1(CN(C1)[S](C3=CN=C(N2CCCNCC2)C=N3)(=O)=O)C4=CC=CC=C4,MBCUUMIDZZTEOV-UHFFFAOYSA-N
-869989FAFF3B82A6_76B380566EA2A3D2_6038_DP,C[N]1C=NN=C1SC2=C(C=CC=C2)NC([C@@H]3CSCN3)=O,HXWDOURTHNPSKU-JTQLQIEISA-N
-86DA54145C967F96_6F44C687BE9D60F3_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=C(C=C3)Br)OC,XVGJLEZHVOEUQF-UHFFFAOYSA-N
-87FC770EBE84ED5A_D941D1EBDA6C5743_6039_UN,O(CCCC(=C)F)CCOC1=CC=C([S](Cl)(=O)=O)C=C1,XGWMBTPFPMFTGR-UHFFFAOYSA-N
-88BB2FBBE0484D8A_3A68D08DA7717BAB_6034_UN,CN1C(=O)N(C2=C1C=C(C=C2)Br)CC4=C(N(C)C3=NC=N[N]3C4)C,BQPRAEXVWZHAPX-UHFFFAOYSA-N
-8F0405D467FD89B1_7630BDD5656F4524_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCSC3=CC=C(C=C3)Br,LPOAVPUVQWYJJM-UHFFFAOYSA-N
-9141A7B77D07900C_FFCB39CAC74AF094_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CC=C(C(N3CCN(C)CC3)=O)C=C4)(=O)=O)C=C5,GSYNZEXWWMNNIX-UHFFFAOYSA-N
-99D00C155C2A7849_CBCB5ECD51303D57_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=N[N]2C(=C(CCCC)C(=NC2=N3)C)C)(=O)=O,SGCCYNMQROWLDS-UHFFFAOYSA-N
-9AC64EFBC174F17C_F25D75A580DFDCCF_6039_UN,CC[C@@H](OCC(OC)CC1=CC=CC=C1)C2CCOC2,ONIAZGNHNROHNN-OFLPRAFFSA-N
-9E026DC216982076_3C3C8F833B9055AC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(C)(C)S)C(=O)O,FDJLCBMTPFIYMN-NSHDSACASA-N
-9F4BC37399767D62_E14C26EB74359CD4_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C[N](CC(C)(C)C)N=C3,REDHCHRJZUFZHV-UHFFFAOYSA-N
-A1E80BC639389EC1_6847CDA3906E3BD1_6041_UN,C1(=CC=NC2=C(C#N)C=N[N]12)NCC3(N(C)C)CCSC3,PHFRUIPJJAFLCM-UHFFFAOYSA-N
-A271D47571E1173B_DB9CB0AB7E7786B4_6041_UN,CC1(C)C(CC1=O)C2=CC=C(C=C2)N[C@H]3[C@H](OC)CC3,GOTGHVSPIODVJZ-JVIGXAJISA-N
-A95BA68DECD586E9_4C3EE4D41AE6D254_6034_UN,O=[N](=O)C1=CN=C(I)N1CC4=C(N2CCCN(C)CC2)N=C3C=CC=CC3=C4,PGKXQYMFDXNTPQ-UHFFFAOYSA-N
-AB28BAF0816A05F8_F52BA9D6EBCD44B2_6035_UN,CC(OC2=CC1=C(CCC(C)(C)O1)C=C2)C3CCC(=O)O3,KDODOYFVKNTXKN-UHFFFAOYSA-N
-AC96E998E5155193_44E0C243997F6C87_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)OC3=CC=C(C=C3)O[S](=O)(=O)O,BKGWCTPEDFKVKQ-UHFFFAOYSA-N
-AE7C33C91D0FB8CB_168EB9CD21F7DF80_7022_UN,C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)OC3C[C@@H](OC)[C@H](C3)OC,DKKGRLTWMPUUNE-YQQQUEKLSA-N
-B0C04A276CE0CE58_9D0F53931E311487_6029_DP,C1CC(=CCN1[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O)C4=NC=CS4,PTDCQUDGAOEUTG-UHFFFAOYSA-N
-B335BEF42A09C599_EC9DAB9F08E2BABE_6038_UN,O(CCOCCOCCF)C(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,JOVHSDGFRSEXHQ-UHFFFAOYSA-N
-B5E6A8E774CC13D5_BBFC3FAAA64FF7A2_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)N4CC(C3=NCCN3C)C4,XURBXNSLBLEFNP-UHFFFAOYSA-N
-B68B35F2C23B482A_8CED7BA04ED1BF34_6036_UN,CC3(CN([S](=O)(=O)C1=CC=CS1)C2=NCCN2)CN(C3)C4=CC=C(C=C4)F,RQVGVVUNKYTNTR-UHFFFAOYSA-N
-B7955A6F8ABF6329_03F6E6C4045BA4BD_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(N(CC)CC)C=C3)O4)(=O)=O,OHJCIWCFTPFZFH-UHFFFAOYSA-N
-B8F334C607696FAE_3017E368B7E6CEC0_6029_UN,N(N1CCOC1=O)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,GFEDNLXURHHPRD-UHFFFAOYSA-N
-B9BAA3A272EB6103_461B67DDBB1A6838_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NN=C([N]2CC)C3=C(OC=C3)C)(=O)=O,XAQZYLDZWHYMGZ-UHFFFAOYSA-N
-B9F5EA142EEA8EA2_0F19C76F541FFAC7_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=N2)[N](=O)=O)F,CLHSKCXEOMAPFO-UHFFFAOYSA-N
-BB42F604891F1560_5A704ECBEBCC2677_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NN=C(CCC)[N]3C)(=O)=O,UCODAWJCRSTTJV-UHFFFAOYSA-N
-BDF6FA3BD832B202_1317D15D27E47B2D_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(C(=CC(=C3)C)Br)F,QOJVUWMWCIFMBQ-UHFFFAOYSA-N
-BF1E278A1D5E43BB_DB6952D655D8282E_6038_UN,CC1=[N](C=C(C=C1)OC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)=O,WKJYELQUYHVIIL-UHFFFAOYSA-N
-C254D4A8C1E6380B_09D1771BA04240F9_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)C3=CC=C(C=C3)Br,ZWNWOQAUPLAANC-UHFFFAOYSA-N
-C2C3762E3001E64E_5A857DA147FAE018_7022_UN,COC(=O)C1=CC(=C(C=C1)N3N(C)C2=NC(=NCC2=C3)Cl)[N](=O)=O,DTAISUKMXCSQSG-UHFFFAOYSA-N
-C592FE84E8E1A385_953ED08DA3E60AC2_6035_UN,CCC(OC2=CC1=C(C(CC(C)(C)O1)=O)C=C2)C3CC3,LXTSMLJXOCFQIF-UHFFFAOYSA-N
-C5DDA6C6CDD8DD26_EFB90B785972BC78_6038_DP,O(CC1=C[N](N=N1)C2=CC(=C(C=C2)F)Cl)C(C3C[Si](CN3)(C)C)=O,CTGDLKYQVPSSKM-UHFFFAOYSA-N
-C9486740367E1EA0_2E03506447FD570E_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(C(CC)C2=CC=CC=C2)O3)(=O)=O,QWNCOMHSEXAAGC-UHFFFAOYSA-N
-CE17A0E75BEFDEA6_2EF635E194E192FE_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=N2)[N](=O)=O)Br,AKPPWSJUYNPMQP-UHFFFAOYSA-N
-D0721999AE190687_1D2B77CF013C0CB5_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=CC=C3Cl)[S](=O)(=O)Cl,XCRDAPZGERRVLU-UHFFFAOYSA-N
-D25ADB5BEAD56368_16FBD7D54FA99BF2_6038_UN,N[S](=O)(=O)C1=C(C=C(C=C1)OC(C2=C(C)OCC2)=O)F,NUSIKSLTLKXXHA-UHFFFAOYSA-N
-D8CFF5094BDD67E7_D95907A75EA8CFA7_6035_UN,CC1=C(C1COC2=C(C3=C(C=C2)[NH]N=C3)Br)[Si](C)(C)C,OQMSREPAOWVQIK-UHFFFAOYSA-N
-D8E033C408DAD067_3F4E11C0E8701BA9_6039_UN,O(C1=CN=C(N=C1)C#N)CC2=C(C(OCC)=O)CNC(N2)=O,ARMRZQYGSYRTSJ-UHFFFAOYSA-N
-DBF994809E20C76E_CE9990F57D55280C_6038_UN,CC3OC(=C(OC(=O)C1CC(=O)C2=C1C=CC=C2)C3=O)C,OKWOYFZXPRBCPT-UHFFFAOYSA-N
-DDBA92F8FEFBC450_7F1B64FB74759592_6029_DP,CN(CC1=CNCC1)[S](C3=C2OCOC2=CC(=C3)CCl)(=O)=O,SJGORYBLEMBUER-UHFFFAOYSA-N
-DF0A091E7BF62608_58D778A14BD1E0C5_6029_UN,N(CC1=CC=C(C=C1)N2C(OCCC2)=O)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,YTAVVWHQRDZSAF-UHFFFAOYSA-N
-E2B08B9A35BFBD5A_123D22C1A31BF61F_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=N2)[N](=O)=O)Cl,PGNHTPMNWNNZIR-UHFFFAOYSA-N
-E32374A69709D096_A47FA7B747C1EEE3_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(=O)C3=CC(N(C=C3)O)=O,BGGZKLVPEHMPOO-UHFFFAOYSA-N
-E63EF2F8F396CEEB_BEF922303B02622E_6038_UN,CC(OC(C1C[C@@H](OC)[C@H](C1)OC)=O)C2=CC=CC=C2,JXRZILZXGSZNNN-HUOOROGZSA-N
-EA0F469B73E4E128_64D40594441B16E4_6038_UN,N(C1=C[NH]N=C1C2=NC=CS2)C([C@H]4[C@H](C3=CN=C[N]3C)C4)=O,XVPDTJHVAKCHPX-RKDXNWHRSA-N
-EA1E86154D4E62E0_5B8F24DE29B6AB9B_6029_UN,N(CCOCCC=C)[S](C2=C(CBr)C=C1OCOC1=C2)(=O)=O,SALRGEZVBXRIJF-UHFFFAOYSA-N
-EB94BF182E177F18_6A3B12111BC75988_6029_UN,C[Si]1(CN(CC1)[S](C3=C(C2=NC(C)(C)CO2)C=CC=C3)(=O)=O)C,RCKSQIITKPFVMO-UHFFFAOYSA-N
-EF0D680108525DD6_36E4BDDF8B63F3E9_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=C(C=C3)F)OC,AZGLAEYFLPZTBP-UHFFFAOYSA-N
-F00139D9CCBB6D70_AED97BDBC50A4081_6035_UN,CC3=C(OC2=CC1=C(C(CC(C)(C)O1)=O)C=C2)C(=O)OC3,RZZXHCGOAXQCFE-UHFFFAOYSA-N
-F420099E9240D526_6F21EE918CE4FC37_6031_DP,CC2=C(CC(N)C(=O)OCC[N]1C=CC(=N1)[N](=O)=O)C=N[N]2C,LBTUWJBTTOBCJY-UHFFFAOYSA-N
-F67C2386ED107925_7296408AAE19C0E5_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C3=CC=C[N]4C(=CN=C34)I)(=O)=O,CKGBTDDJCQRHAH-UHFFFAOYSA-N
-F6874F48B111E9E9_771813BB156BEB5F_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)[C@@]3(C)NCCC3)Cl,ORUMYTSYFWPRHR-ZDUSSCGKSA-N
-F82A82C29CF7A938_234FB0B1274E5C2C_7017_UN,N3([S](=O)(=O)C1=C(C=C(C=C1)I)Br)C(C2=C(F)C=CC=C2F)C3,BIHWBVLKSRTNLD-UHFFFAOYSA-N
-F83CF72003257E8C_C79B8BA07881AEB6_6039_UN,O(C(CCC1=CC=CC=C1)CC=C)CC(=C)C[S](=O)(=O)Cl,KUIWFEYLKGDOSO-UHFFFAOYSA-N
-FAB2FA8B2812B0C3_47B21959D7785B05_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NCC3=C(N(C)C)[N](N=C3C)C,XAJLYMUFENBBFW-UHFFFAOYSA-N
-FC54BC808F1702F6_BE43A8A7724BC4FB_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)O[C@H](C(OC)=O)C,RFTNWNYIHRRREO-NSHDSACASA-N
-FEB22915639D6082_7C63FE1E6C9CA5EB_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=C(Cl)N=C(C=N2)N3CCOCC3)(=O)=O,VCLQQXSLPGRSFT-UHFFFAOYSA-N
-017E4D0AADC2ABFD_8C6A5F5712C0E0F6_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C[N]5CCCC5=N6)(=O)=O,XUQPJBFYMDRUHN-UHFFFAOYSA-N
-0324C4A95E1C6331_588766172BA8845B_6003_UN,O(C2=C1C=CC=NC1=CC=C2)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,MZFRWGBQXVOYOR-UHFFFAOYSA-N
-047F036AA95314C9_86BD04E8AB018E37_6041_UN,OC(=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C(OCC)=O)C=C(C=C3)OCC,VCJGVHBXBRXZNV-UHFFFAOYSA-N
-0636ADF9279BDCD9_5BD2D5A16469EC4C_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(OCC)=O)CC(=O)C,BCSDFQJKVFPRGA-UHFFFAOYSA-N
-065D5958D56D3195_924308161E6C7C66_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC3ON=C(CC)C3,RPGHNWVAMOFSQD-UHFFFAOYSA-N
-06DE24A7B6B0D5EA_48C097B42B94761D_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C)(C)C(=O)O,IRMAJLYBTVZFBD-UHFFFAOYSA-N
-07592C04A596AD13_5F24ACA62EEDE40E_6038_UN,COC1=CC(=CC=C1)N4CC(NC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O)CC4=O,ZUZJZOJXZOLRGZ-UHFFFAOYSA-N
-096CD0EF6AEA393B_C56940369987BACD_6038_UN,CC2=C(NC(CN1C(C=C(C)C1=O)=O)=O)C=N[N]2C[Si](C)(C)C,HDCXHEHZHXFDJZ-UHFFFAOYSA-N
-0A718B95C12106F7_156FA7DC1CA20ACC_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C[N](C)N=N3)(=O)=O,IAMUGSLBYCBMDK-UHFFFAOYSA-N
-0EB71AA943121AF8_C8322E7158A9295C_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=C(C(F)(F)F)C=CC=C3)(=O)=O,KJVNHWRCXHWKHN-UHFFFAOYSA-N
-10D241C39EDB89C1_981B4AB7F7D6F571_6038_UN,O(C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2)C(C3=C(C(OO)=O)C=CC=C3)=O,OKOZHPCDPPYWHN-UHFFFAOYSA-N
-110C06E63833270D_D657A82CE003D61D_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC(=C3)Cl)Br)(=O)=O,NHGWLUURHHPKCG-OTCDBFHCSA-N
-1452BBD33E054F3C_2887F022656A15E4_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(C)(C)CO,MPOPNIIJTPNBKR-UHFFFAOYSA-N
-14AEA25349B4FA17_620AEC75FEEA78A0_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC=C(C#N)S5)(=O)=O,PZYLRFLAXUILCH-UHFFFAOYSA-N
-18823E8C26616F5C_C3CDD864CFD44FE3_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4CCN(C(C3=CC=C(CC)O3)=O)CC4)=O,NFNGQGLWHFIXKS-UHFFFAOYSA-N
-18C0DABDA09E4394_C92C876C051FEDB2_6038_UN,CC(NC(C=CC1=CC=C(C)O1)=O)C3=NC2=C(C=CC=C2)[N]3C,OQTBQPVMGOUCCK-UHFFFAOYSA-N
-1AFD22F1B3E0C656_4B8CC77A4038CA6C_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)(F)Br)C=C3)(=O)=O,WTMUOUPRFGGULS-UHFFFAOYSA-N
-1D0E5073ADC4C64A_56A60A2485B10D3A_6031_UN,COC(=O)N(C)CC(=O)OCC1=C(C(OC)=O)SC=C1,FQQJVZOAPSIKSM-UHFFFAOYSA-N
-1E76CADAEF0B5DED_95799265D6959518_2875_UN,N3=N[N](CC2=NC1=C(COCC1)C(=O)N2)C=C3C(N)C4=CC=C(C=C4)Br,HRIJWBIPCPCYTD-UHFFFAOYSA-N
-20285F2E3E7A6B85_AFE73660AC9D0DF2_6029_UN,N(C1(CCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,SDIAEIBVMOHHSR-UHFFFAOYSA-N
-206F51660E10A950_E1E6C99012A41E02_6041_UN,CC3=C(C)C1=C(N=CN=C1NCC2=CC(=C([S](CC)(=O)=O)C=C2)F)[N]3C4CCCC4,UAUMWJUWBKCBPU-UHFFFAOYSA-N
-207156828769E9E2_2C3AA784A87F9A25_6029_DP,C1CN(CCN(C1)C2=NN=CC=C2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,XKMINWHAFMEHAT-UHFFFAOYSA-N
-20BA5C864C2ADABF_8C579325ED933258_6034_UN,CC(N)C1=CC2=C(C=C1)N(C(=N2)C3CC3)CC(C)(C)CBr,AEGLASLDNWGPIF-UHFFFAOYSA-N
-21350A857C72389B_03EF6B5C9B6BA3D8_6003_UN,O(C(C=C)C(=O)O)C1=CC=C(C=C1C(OC)=O)[S](=O)(=O)Cl,SCOHZRYHOYIHHP-UHFFFAOYSA-N
-240BBD3584A8F3E2_E2188BE39113F4B2_6041_UN,CC(C)OC1=CN=C(N=C1)NC2C(C3=C(OC2)C=CC=C3)=O,CQUQDNJEMJVDGO-UHFFFAOYSA-N
-252C1E971EE80095_4D68B454BEBD3056_6034_UN,ClC2=NC(=C1C=CN=C1N2CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4)Cl,ASFXSTASVFKKLB-UHFFFAOYSA-N
-2541EBAFE1CD68C4_457A7A899B46701C_6036_UN,C1(CN(C1)C2=NC(=CN=C2)Cl)N([S](C)(=O)=O)C3=CC=C(C=C3)B(O)O,FHVFRHZYXQDTTI-UHFFFAOYSA-N
-2596DCFF6219D59B_DA01E4820F559120_6034_UN,O[S](=O)(=O)C2=NC1=C(C=CC=C1)N2CC3=C[N](N=N3)C4CNC4,DGPLRQOYBUMLEH-UHFFFAOYSA-N
-25CFD0DE4FC80D23_4243F3F452DB4641_6038_UN,CN1CCN(CC1)C2=C(C=C(C(=C2)F)Br)NC(=O)C4=C(N3CC[S](=O)(=O)N=C3S4)C5=CC=CC=C5,BZOIIOJHACDZEF-UHFFFAOYSA-N
-26C587565F73BB30_460EA200BC776A13_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3CCCCN3C4=NC=NC(=C4)Cl,ZKEVNTHHOYZBGC-UHFFFAOYSA-N
-274739D1390D3A86_EDE03FAB7A253E4A_6029_UN,N(N1CCN(CC(F)(F)F)C1=O)[S](C2=C(C(O)=O)SC=C2)(=O)=O,MTJWEHWBDPEMMS-UHFFFAOYSA-N
-277BDEFBF930817D_08279F796844642E_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(F)CNC3)Cl,IGYZLDYETQVVJK-UHFFFAOYSA-N
-28B19A0BF3B8D939_B4F968A5A0D03121_6034_UN,FC(F)(F)C2=NC=C1N(C=C(C1=C2)I)CC#C[Si](C)(C)C,XOLISASFFHKZNZ-UHFFFAOYSA-N
-2AD473C3F02A0695_C33672D3E9FE6FE7_6029_UN,CC1N(CN(CCN(C)C)C1=O)[S](C2=C(B(O)O)C=CC=N2)(=O)=O,BNDMKAQLCSSVJP-UHFFFAOYSA-N
-2BD72700898FFE69_543BB4DCDA0D6AB8_6034_UN,O=[N](=O)C2=C1C(N(C(C1=CC=C2)=O)CCNC(N(C)C)=O)=O,PNYUYSXAUHRMCV-UHFFFAOYSA-N
-2BF155186DAE523B_A1343738B19A4E69_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(C)=O)C=C(C=C2Br)Br)C=C3,IUOBJVGGRQOSCQ-UHFFFAOYSA-N
-2BF9B102DC89CDDE_6B5B4D5D63380859_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC(=C3)F)F)(=O)=O,MMIGXBHDAAUSQM-OTCDBFHCSA-N
-2C9815F3D5A9719C_88BE0BB94BC520CE_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=C(C=C3)I)(=O)=O,UAZLNOLUZFODGG-OTCDBFHCSA-N
-2C9BE56E1161F585_D5C4600625EA5B83_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3F)C)=O,CCFUBXNMSAXJBX-UHFFFAOYSA-N
-2CC46F80F457EA9A_92F597E912819CCA_6041_UN,CC(C)(C)C1=NC=C(N=C1)NC2CCSC3=C2C=CC=C3F,XGNWHOWDOGQVAF-UHFFFAOYSA-N
-2F1DED03625A3F85_FFAF02F08645E7EA_6029_DP,N1CCNCCN1[S](C3=CC=C(C(C2=CC=C(F)C=C2)Cl)C=C3)(=O)=O,CPODIKQEFZWQCI-UHFFFAOYSA-N
-2FAE52F10D6BE230_CB25FA8FFB8888B5_6028_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC(=C3)Cl)(=O)=O,OMMKFIMUYUZTLC-OTCDBFHCSA-N
-303944F4339EA936_6301DF05EA7F00A6_6029_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=CC=C(C(F)(F)Br)C=C3)(=O)=O,DBSCBWUTPSXENX-UHFFFAOYSA-N
-307B07B9E9691BBF_448509CA7C27C140_7005_DP,CC(C)C1=CC=C2C(=C1)[NH]C(=N2)CC3CC(O)C34CCC4,OOCCTWHUCGWYFY-UHFFFAOYSA-N
-30EA4BE0007F6A30_4F98B5D39E6ECE43_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC[N]3C4=C(N=C3C)CC(CC4)N,MSPVEDNHYCRLCZ-UHFFFAOYSA-N
-32029287F2C0BF40_782A5C05CC3F4A45_6041_UN,CC1=NC(=NC(=C1)NC2CCSC3=C2C=CC=C3F)C(C)(C)C,BLPMXVCFDOBUCZ-UHFFFAOYSA-N
-327BAAB560D2BBE2_D104C64B15D8DA67_6034_UN,ClC1=CC2=C(C=C1)N(C(=N2)C3CCCN3)CC(C)(C)C(C)(F)F,RZECSOSEFQRBMU-UHFFFAOYSA-N
-32FEA520B61F9EED_961BFEF554E2007E_6041_UN,C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)NC5=C(C(C4=CC=C(CCCC)C=C4)=O)C=CC=C5,GBXRDNCZPRJXRR-UHFFFAOYSA-N
-3346FCD089110B4B_021B63AD91819A17_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(C(CCC)C)C(=O)O,PNUBGKRZVWQCHM-UHFFFAOYSA-N
-33EE2EF0919F71B4_5986CA849B8244E2_6003_UN,O(C(C=C)C(=O)O)C1=CC=C(C=C1C(OC)=O)[S](=O)(=O)F,FKXGIFHMYIIBJN-UHFFFAOYSA-N
-3447CA2B6DBF9D0E_43476BD42A69F8FA_6029_UN,CC1CN(CCN1[S](C2=CC(=[N](=O)C=C2)Cl)(=O)=O)C3=NC=C(C=C3)F,VEBOTBBSNGLURB-UHFFFAOYSA-N
-359417B51A31661A_428F7B88E10D2B1D_6038_UN,N([C@@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C3=CC(=NC=C3)N4CCN(C)CC4)=O,JAJSTEUBLMSIHJ-KRWDZBQOSA-N
-35EE4AD450C794BB_D1FC80942D9BA0F8_6003_UN,O(C2=CC(=O)N(C1=CC=CC=C1)C3=C2C=CC=C3)C5=CC=C(C(NC4=CC=CC(=C4)C(O)=O)=O)C=C5,YAYRSLVCBRAFBA-UHFFFAOYSA-N
-3673DC4D08BD9B22_DEB7663CBFBEB5F8_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCCC2)C=C(C=C3)F)C(C)(C)C,MQDKKVBOLFLWDX-UHFFFAOYSA-N
-379C46620B8DB184_40BD1472E230B69A_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(F)C=CC(=C3)I)(=O)=O,WUIJYIFASXOBQH-OTCDBFHCSA-N
-38076B549C6846E5_06BFB0BDDB7022EA_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3(O)CNCC3)Cl,QGXOSPMYGHVJPX-UHFFFAOYSA-N
-38F19BD82C7CC994_5E7A4741920F143F_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C(C=CC(=C3)[N]4N=NN=C4C5CC5)F,CKNCMOHOAGJNJO-UHFFFAOYSA-N
-38F19BD82C7CC994_8F464BC45984DE47_6041_UN,OC(=O)C2=C(C=C1OCOC1=C2)NC3=C(C=CC(=C3)[N]4N=NN=C4C5CC5)F,CKNCMOHOAGJNJO-UHFFFAOYSA-N
-39072FDB40C5C55F_ABD1B62864E43BE2_6004_UN,CC1(C)CC(=O)C2=C1C=CC(=C2)C3=CC=C(CO)C=C3,XSICMIOFDLKDST-UHFFFAOYSA-N
-3B1D2F3C7229F3E0_B7B50313AABF58DC_6029_UN,FC1=C(C(=CC=C1)F)C2=CCN(CC2)[S](C4=CC=C(C3(O)COC3)C=C4)(=O)=O,IRSRRZHPHVRFQW-UHFFFAOYSA-N
-3C6E99B356C46DD5_04D883052D2DE283_2875_UN,O[S](=O)(=O)C1=CC(=CC=C1)[N]2N=NC(=C2)C3=CC4=C(C=C3)OCCN4,DMQJHUVNEDVWBV-UHFFFAOYSA-N
-3DA1A53B0D204700_BEAB58AA77CC78FC_6038_DP,CC1=NC(=CC=N1)OC2=CC=C(C=C2)NC([C@H]3CSCN3)=O,RMDYVUOOQJTABQ-CYBMUJFWSA-N
-3DB02F16769F8C12_85817DD39C20D2FB_6038_DP,CN(C)C(=O)C1=CC=C(C=C1)OC(CN2CCNCC2=O)=O,VYWCCOQUZRTYIM-UHFFFAOYSA-N
-3E23E7685FCC841E_1F4D670C4B6D7A6D_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC3=C(C=CC=C3)[As](=O)(O)O,NZJCOUPUHCVWKG-UHFFFAOYSA-N
-41A4AE6E877285E8_E8AC0A8B9774D2CF_6031_UN,O(C(=O)C1=CC=C(C=C1)N2NC(=O)CCC2=O)CC3=CC=C(OCCC)C=C3,HLUFKOUHXNJZML-UHFFFAOYSA-N
-423D62BD0FBCDFBA_5584C3F52943B2A0_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(C4=N[N](C)N=N4)=O,BYHGUMOUWSIVAI-UHFFFAOYSA-N
-43DAF21E9942A0CB_14988F4B952A892C_6029_UN,CCC1(CCN(CC1)[S](C2=C(P(Cl)Cl)C=CC=C2)(=O)=O)C,WAPBXGQUPBRJHR-UHFFFAOYSA-N
-4573B187A9C08F16_B357C16137FBC359_6041_DP,N1CCN(CC1(C)C)C2=NC(=CN=C2)NC3=C(C=CC=C3)[As](=O)(O)O,TZEVXRFTHZCGPI-UHFFFAOYSA-N
-461C21DDB725BEE7_2A15F19248F36FB9_6038_UN,CC(NC(CC2=NC1=C(N=C(N(C)C)C=C1)[NH]2)=O)C4=NC3=C(C=C(C(=C3)Cl)Cl)[NH]4,YHIKMSQTTUOUBA-UHFFFAOYSA-N
-47027498F5724057_3060ECB2BC2C0053_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=CC=C3)C4(CC4)C#N)(=O)=O,ASISSZUHYVATRY-UHFFFAOYSA-N
-4ABBD90452F516ED_CB59C597572452E3_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(P(Cl)Cl)C=CC=C3)(=O)=O)C,VMOBPWJVWCHBOB-UHFFFAOYSA-N
-4C28C1248D21F09D_14787DF6BD5031FA_6004_UN,CC1(C)CCC(=O)C2=C1C=CC(=C2)C3=C(CC)C=CC=C3,RUTNMRXKTWICQX-UHFFFAOYSA-N
-4C844646015C7796_C6C70DA5EAB0C1A7_6034_UN,ClC(Cl)(Cl)C2=NC1=C(C=CC=C1)N2C[C@H]3[C@H](CC(C)(C)C)CNC3,QVIKTXNXPMUMGH-OLZOCXBDSA-N
-4D8D1053C6385757_2C09C539E1089606_6029_UN,OC1=NOC(=C1)C2CN(C2)[S](C3=CN=C4SC=C[N]34)(=O)=O,YYXAERWSBIYOJA-UHFFFAOYSA-N
-4DF43CDFDE093F44_25E5E67E26EE54AB_6034_UN,O=[N](=O)C2=C(C=C1N(C(OC1=C2)=O)C3=C(C(OCC)=O)CNC3=O)F,LEVQRTCITJUCOA-UHFFFAOYSA-N
-4EFBF0B64B7403E8_9A446FEE5FC58714_6004_UN,C2(=C1CCCC(C1=CC=C2)=O)C3=C(C(C)(C)C)C=CC=C3,HKCXEKLDZJCLQK-UHFFFAOYSA-N
-4F406732CAC202DE_04C104FC41326085_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C([S](CC)(=O)=O)C=CC=C4F,QPTMNBZRNWRAHM-UHFFFAOYSA-N
-4F52600154ADB13E_4E26989C01B4AF2C_6031_UN,O(C(=O)CC(F)(F)C(F)(F)F)CC2=NC1=C(C=CC(=C1)C(F)(F)F)S2,OYZPRZUSRKUSQV-UHFFFAOYSA-N
-51E993095DF0799E_FB4EA75673524EBD_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC=C(C(OC)=O)S3)(=O)=O,VYLPFXOXCSGFFH-UHFFFAOYSA-N
-53AC385B655D1C17_73345F601DF11BF3_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@@H]3[C@H](C2=CC=C(OC)C=C2)CC3,CRBDUVZQHZOAIH-IRXDYDNUSA-N
-54CBD4F888D93A23_6762DEDAC1F4D270_6041_UN,CC1=NC(=NC(=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F)C(C)(C)C,XVLSPVLSZRABQG-ZDUSSCGKSA-N
-5548B9CC16C51BD1_5B58EB7284A22640_6034_UN,CC2=C(C=C1N=C(N(C1=N2)CCC#C[Si](C)(C)C)S)Br,CUKRLBFPDTVNDK-UHFFFAOYSA-N
-569EAAF589A20B4F_050BFC17ADDC88E0_6038_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,RHMUELGUOUKYMM-UHFFFAOYSA-N
-5812AB4BE721FDCE_EB52DB7C809C038E_6035_UN,CCOC(=O)C(=C(OC2=C(C(N1CCC(N)CC1)=O)C=CC=C2)CCl)C3=NC(=CS3)C,KUZOCSILTIDSAA-UHFFFAOYSA-N
-58BC73B9D2ED44AF_9E1FA121862B0349_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=NC(=C3)C,KZGXHPBXJZDGCB-UHFFFAOYSA-N
-5918D429F80AD394_4F4FAA68C579C9FA_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C(CC(C)=O)C=C3)F)(=O)=O,JGSVEYKTTRVXMQ-UHFFFAOYSA-N
-59653B99D480F0CC_2E8DD7553BACF98E_6029_DP,CC(N(O)[S](C2=CN=C(N1CCCNCC1)C=N2)(=O)=O)C3=CC(=CC=C3)C(F)(F)F,LXWJEMVEUVLCBU-UHFFFAOYSA-N
-59EE4E840F6045C2_436E23EBA3F5812C_6039_DP,O(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)CC3=CC=C(C(O)=O)C=C3,OEALVOQVSDPMEA-UHFFFAOYSA-N
-5A127A0E5AB1D084_16E407877D1AAE4D_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=C(C=C(F)C=C3F)F)(=O)=O,GPTVGRKHTUWHCG-UMSPYCQHSA-N
-5AE0825754EBFEC8_1C5D502A02655261_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CC)N=C1CO)(=O)=O,LZQRUIKAQRIGNL-UHFFFAOYSA-N
-5C68CB2D1F86B10F_0E0108956C820C24_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C3=CC=C(SC(F)(F)F)C=C3)(=O)=O,OULZYQGFDGZFPL-UHFFFAOYSA-N
-5CF625816233C5E8_A0B81EE5B2A0ACDC_6034_UN,CCC1=CN(C2=C1C(=CC=N2)Cl)CCC#C[Si](C)(C)C,QXFYPMLOFDXYQN-UHFFFAOYSA-N
-5E728C0E9BBD0085_FD9E2F585DCDE47F_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC=C2)Cl)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,DCTTWXVPRRSYKL-UHFFFAOYSA-N
-5E99F1B5DE20B184_498B86BE076F3A7A_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=C(C=C2)Cl)Cl)CC4=CC=C(N3CCN(C(C)=O)CC3)C=C4,MDAXNVNIDVJPOP-UHFFFAOYSA-N
-5FA0B8FEAF8AEE21_7AB1231E51D0FD1C_6028_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=CC=C(OC(F)(F)F)C=C3)(=O)=O,CSHDVKQQBAHFNS-UHFFFAOYSA-N
-6096A5D01FD5AE83_20D5A2E6D90AA978_6035_UN,CC1=C(C1COC2=C(C=CC=C2)[N]3C=NC=N3)[Si](C)(C)C,HCECFWKFGNIHNL-UHFFFAOYSA-N
-60C2BE92BD029D75_90C1BE36BCE76245_6035_UN,NC2CC(OC1=C([S](C)(=O)=O)C=CC=C1)(C2)C(F)(F)F,OJRBASIBAOWKSV-UHFFFAOYSA-N
-62CD6DB9C03801E0_6520C0C908C96602_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CC(=C(C)C=C3)CC#N)(=O)=O,URHMREKBXVFJJV-UHFFFAOYSA-N
-635E3861BF5907E6_33F41C7C85C07F2C_7013_DP,[NH]2C1=CC4=C(C=C1N=C2C3=CC=CC(=N3)C#C[Si](C)(C)C)OCO4,KLXVIPSCHGGLIM-UHFFFAOYSA-N
-6597ACC396BE0893_A3D003AD04C7D985_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=C(C(=NC=N2)Cl)I,HYTMQRNPHXXCQC-UHFFFAOYSA-N
-67C32B34ECF43332_F23DDADCF995B3E4_6003_UN,O(C1=CC(=CC=C1)OC2=CC=CC=C2)C4=CC=C(C(C3=C(C(O)=O)C=CC=C3)=O)C=C4,XAETZUBKOPVDIN-UHFFFAOYSA-N
-6B5297AF61DA0F9B_9EAF96060E2CEAA4_6034_UN,ClC1=CC=C(C=C1)C2NCCC3=C2N(C=N3)CC[Si](C)(C)C,PMBQNIJSAPDMAX-UHFFFAOYSA-N
-6D0BDC999DB63FAD_D5C970C64D00BAEE_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)Br,NPXAITGWWDBZIG-UHFFFAOYSA-N
-7146E509A476AC37_18658C2029A3E9E4_6039_UN,OB(O)C1=CC(=C(C=C1)OCC(C(=C2N(C)C3=C(S2)C=CC=C3)C#N)=O)C#N,PMCSJEXHJFFLJY-UHFFFAOYSA-N
-727D2CEEFA8ADAD2_9A2F452AE36C2E64_6041_UN,OC(=O)CCC3=NC1=C(C=CC(=C1)NC2=C(OC)C=CC=C2[N](=O)=O)S3,JDVQTMKJKUZRNL-UHFFFAOYSA-N
-7319D644974304B5_75969B3B6AF4C75E_2201_UN,CC2C1=C(C3=C(N=C1C(Br)C(C)(C)C2)SC4=C3CCC4)C5=NC=C(C=C5)Cl,PPKLQRRRPSWAQQ-UHFFFAOYSA-N
-764A485CEA624849_D2F2A2589A70901E_6029_UN,CC2=NC1=NC=N[N]1C(=C2)N3CCN(CC3)[S](C4=CC=[N](=O)C=C4)(=O)=O,YJSPJFHBPZUALV-UHFFFAOYSA-N
-766590684C83F8ED_D6E8913903FEF734_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC2=C[N](C1=C(C)C=CC=C1)N=N2)C,SMLBGKXLRTXUEV-UHFFFAOYSA-N
-771382D449CA7234_3F2FF08D7289A77D_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C(=C(C(=C3)F)F)F)[S](=O)(=O)Cl,UITFWZRQUMICID-UHFFFAOYSA-N
-7A94E9E643597375_842862A3734931E1_6041_UN,CC1=NC(=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3F)F)C(C)(C)C,XVLSPVLSZRABQG-CYBMUJFWSA-N
-7AC29F19C2771DF2_D87AFC84C476023B_6028_UN,N(CCCN1CCN(CC1)C2=NC=CC=N2)[S](C4=NC3=C(C=NC=C3Br)[NH]4)(=O)=O,JLTZCKWNMOFBJX-UHFFFAOYSA-N
-7B68C4BD97144CDB_B8170784D3859975_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,BOPPAHIEGWVYGO-UHFFFAOYSA-N
-7CEE09EC0ECB5BE1_FC600BBA46B5BF3E_6028_UN,CC1=C(C=CC=C1N[S](C2=[N](=O)C=CC=C2)(=O)=O)C4=NC3=C(C=CC(=C3)F)[N]4C5CC5,YPKJVQAMXAJKPL-UHFFFAOYSA-N
-7D4700B3B72296D2_EF8D0AB389D405C7_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(N3CCCC3)[N]4C5=CC(=CC=C5)Cl)(=O)=O,KERRKOYUSUMSQY-UHFFFAOYSA-N
-7D760B2F1DC75E94_BC535A44B0FC3F72_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)C2=CC=CC(=C2)[P](C)(=O)C)N,UFSNBYMHPSPKGJ-AWEZNQCLSA-N
-800820C1CF07C77C_A7E784A8812130B3_6034_UN,O=[N](=O)C1=NN=C(Br)N1CC3=CC=C(N2CCN(C(C)=O)CC2)C=C3,MRJWPYXDGLEBGL-UHFFFAOYSA-N
-80A26F4B737D774F_D15BFB82260627A8_6039_UN,CC(OCC1=CC=C[N]2C1=NC=C2)CCCC#C[Si](C)(C)C,FXEKWFBBHYLMEF-UHFFFAOYSA-N
-852A1677656728C9_73BECE27DF662072_6038_UN,N([C@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,BISUUPMYHITBPH-LJQANCHMSA-N
-8776C4968CA45A76_44A889F741D3724D_7019_UN,CC1=C(C=CC=C1)CNC(=O)C=CC2=C(CO)C=CC=C2,FTFIEQACCFGUJJ-UHFFFAOYSA-N
-87F1DBDF0928F1E1_14BD3D8B4D019A7D_6041_UN,C[S](=O)(=O)C1=N[NH]C(=N1)NC2(CCC2)C3=CC(=CC=C3)C#N,KRIJSQPKGNUIFV-UHFFFAOYSA-N
-8A7928BE1D329938_262B1210976D8853_7013_DP,CC([N]2C1=CC=CC=C1N=C2C3CCN3)C4=CC=CC=C4,FMAWDKUCZGJKNO-UHFFFAOYSA-N
-8A981DCF79D97691_26AB75C748EB2886_6038_UN,N(C1C2=C(OCCC1)C(=CC=C2)F)C(C3=CC=CC(=N3)N4CCN(C)CC4)=O,WBRVXUMUBJPIFX-UHFFFAOYSA-N
-8F634906A3039A9F_1DFA86D9B17649B2_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC3=CN=C(N2CCC(C)(CC2)C)C=C3)F,MGKCZRVQOICQQX-UHFFFAOYSA-N
-8F634906A3039A9F_A52E05CF9C68E918_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC3=CN=C(N2CCC(C)(CC2)C)C=C3)F,MGKCZRVQOICQQX-UHFFFAOYSA-N
-900AAEDBC44406E3_DC7C298133BBA7EA_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CCNC3)CCC(C)(C)CBr,KBZYJPYAZOOSJS-UHFFFAOYSA-N
-90CE0DD9D35EDCB2_3581868ABD3809A5_6029_UN,N(N1C(CC1)=O)[S](C2=CC=C(C(CC(OCC)=O)=O)S2)(=O)=O,AHHQBYKAGVCXCY-UHFFFAOYSA-N
-919022C545BA71A9_7D796BA4EFB13230_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=C(C=C2)Cl)[S](=O)(=O)F)Cl)C3CC3,BIJMTBFEMRZBPW-UHFFFAOYSA-N
-91F5EC2299261C01_88EBC826B82AD061_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC4=C(N3CC(C)(C)C3=O)C=CC=C4,FMCZGSSBFNOABT-UHFFFAOYSA-N
-92400F27BB7ED424_F3194516D45BE7D6_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCNC3)CCC(C)(C)CBr,NAXZGDGALHOJMD-UHFFFAOYSA-N
-933B8C7D92F44EC0_A679A7F6D34F7B0D_6041_UN,FC1=CC2=C(C=C1)C(=NC=N2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,DVYAKRNMBQNCJY-UHFFFAOYSA-N
-93B56A292F548DFB_A9733D4278F0B735_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C6=C5C=CN=CC5=CC=C6,LFIVSNPKEJDFAS-UHFFFAOYSA-N
-93D20D3DB8CB1183_48C9A0EBEA151A24_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)NC3C4=C(OC3)C=CC=C4F,WTFUJRMZUYPNKO-UHFFFAOYSA-N
-959D3F0800DA5824_AA9DF7D86F4C97A2_6038_UN,N(C1CCN(C1=O)C2=C(C=CC=C2F)F)C(C(CCN(C)C)=C)=O,LBGYJBLFJZAMOF-UHFFFAOYSA-N
-97D212E5D0F12159_C6CB75D225CD04E0_2875_UN,N3=N[N](CC2=NC1=C(COCC1)C(=O)N2)C=C3C(N)C4=CC(=CC=C4)Br,VOHAOBCDDLNJOX-UHFFFAOYSA-N
-984521F1258219BE_213B1CF06FAAECF5_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O)C4=C(C=CC=N4)CC5,HQRNEKADQWDONZ-UHFFFAOYSA-N
-9C94DB516196E77D_C54F284CED2CA098_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(C)N=C(S3)C4=CC=CC=C4,MQABPSOKNYREKE-UHFFFAOYSA-N
-9D06898561327B18_C57459DEF1B07493_6041_UN,O=[N](=O)C1=C(C=C(C(=C1)NC3=C(N2CC(C)(C)C2=O)C=CC=C3)F)F,POMWHWZREUPFEM-UHFFFAOYSA-N
-9F95A54E2099B50B_FFFA79B6C727FB44_6003_DP,N2CC(=C(F)COC1=CC=C(C(CC(C)=O)=O)C=C1)C2,ATADUEVHBQUFQX-UHFFFAOYSA-N
-A11C76A30853DAE0_6F1BAD8CBF4329FD_7019_DP,N1CCN(CC1)C(=O)C=CC2=C(O)C=CC=C2OC(F)(F)F,MJXROOJWVBPEGC-UHFFFAOYSA-N
-A1989005C9AD7544_E52EC619E7A14D1A_6003_UN,O(C2=C1C=CC=CC1=CC=C2)C4=CC=C(C(NC3=CC=CC(=C3)C(O)=O)=O)C=C4,ILWKJIATAASOPD-UHFFFAOYSA-N
-A3ED6FD1DEBE8418_92F2C8F82443796A_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3CCCC4=C3C=C(C(C)(C)C)C=C4)F,AVLHMRUBCDIXCG-UHFFFAOYSA-N
-A5F0F3300068CADD_203CA2FED45F2187_6029_UN,N(CCC1=CCCCC1)[S](C2=CC=C(C(C(F)(F)F)(F)F)C=C2)(=O)=O,IJDLGCLNCXCGGG-UHFFFAOYSA-N
-A693E06738128091_6AAC5AAE02121F6B_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C3=CC=CN(C2CC2)C3=O,RSSISMBJJHORNZ-UHFFFAOYSA-N
-A723E5B6AC4E1902_B02D6FBACF610306_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC2CCCC2CCC3=CC=CC=C3,AGODRTAGYJJTHL-UHFFFAOYSA-N
-A799F47788A0168B_0FB1F838DE9851B5_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC=C2)N4CCC(CC3(C(F)(F)F)N=N3)CC4,TYPIRXLQPDMAOT-UHFFFAOYSA-N
-A8C3C749B9BAC35D_5533C65EAAEAC8A5_6003_UN,O(C1=CC2=C(C=C1)C=CC(=O)N2)C4=CC=C(C(NC3=CC=CC(=C3)C(O)=O)=O)C=C4,JGFVETYWQXQWBI-UHFFFAOYSA-N
-AC5BFD4415C12D68_868852566B35D162_6039_UN,CC2=C(OCC(N(C)CC1=C(C=CC=C1)F)=O)C(=O)OC2,GIGXEGVKCSDPQJ-UHFFFAOYSA-N
-AD507BE759246493_42E7064B5AAE0F0B_6038_UN,N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(C4=C(C(N3CCN(C)CC3)=O)C=CC=C4)=O,PETFNXCJVNBFBP-GOSISDBHSA-N
-AF1921A20D1B2C6D_0A5534CE72464A84_6029_UN,CC1CN(CCN1[S](C2=NC=C(B(O)O)C=C2)(=O)=O)C3=NC=C(C=C3)F,YWPYUVFBKFBMMV-UHFFFAOYSA-N
-AF72E3C34A642762_2CBE0A76739BB4EB_6029_UN,C1CC(CCN1[S](C2=CC(=C(OC(F)F)C=C2)CCl)(=O)=O)C4=NC3=C(C=CC=C3)S4,XXIYGVCNFHVFCA-UHFFFAOYSA-N
-B025F9EFDFF398D2_4AD4779D5548A02E_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CC)C(=O)O,HASFJWCOFSEEPO-NSHDSACASA-N
-B0EB9803C992CCD0_20820FB07B105E84_6026_UN,FC(F)(F)C1=CC=C(O1)[S](=O)(=O)NC(C(C)C)C2CC2,AWYMMXHUFJHRLE-UHFFFAOYSA-N
-B328542476BCD8F0_C6D8ABB2891A7233_2875_UN,FC3(F)COC(C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,ZQXIRNXEOBBKOT-UHFFFAOYSA-N
-B41D3025A78A6512_F9D1143CF7317A4D_6041_UN,OC(=O)C2=NN=C(CC1=C(C=CC=C1F)NC(C)=C(C#N)C(=O)O)O2,DQLMOYNHKJRDHA-UHFFFAOYSA-N
-B4D0DD79688B091F_6A0CFD4291223E1B_7013_DP,CC([N]2C1=CC=CC=C1N=C2C3CCCCN3)C4=CC=CC=C4,IKSPRUUWYWZPOO-UHFFFAOYSA-N
-B5FA304338880767_C9FC095C1B2B7291_2201_UN,CC4=CC3=NC1=C(C2=C(S1)CC(C)CC2)C(=C3C4)C5=CC=C(C=C5)Br,USXVLGFNBNQWKV-UHFFFAOYSA-N
-B8A0E0009AAA000C_01E89584A82F310E_7019_UN,FC(F)(F)C1=CC2=C(C=C1)SC(=N2)C=CCCC(C)(F)F,LPWZAXUUTGRWJF-UHFFFAOYSA-N
-BC449B3ED86188A6_A8A782EAA992AC2E_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=C(C=C2Br)Br)[S](=O)(=O)Cl)Cl)C3CC3,TWMGMBYNBLSTMI-UHFFFAOYSA-N
-BC800982B26B1FC9_55047058ED251048_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=C(N=C2)I,UGWQWLRGMLMYFG-UHFFFAOYSA-N
-BC8ACDE563824154_EB6B79A4A7F7BA75_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)Cl,UWFUFOLDGBIERA-UHFFFAOYSA-N
-BCFB8B575F0CFFB6_2A0A76F608E32C0B_6035_UN,CC(OC1=NN=C2C(=CC=C[N]12)Cl)CCCC#C[Si](C)(C)C,CRLMWGYNARYLGU-UHFFFAOYSA-N
-C3ACC9DB9E7C836B_5DFADBB3427DA33B_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=C(C=C2)F)[S](=O)(=O)F)Cl)C3CC3,BZAAYVWEPOONEQ-UHFFFAOYSA-N
-C48B6FBB74FEB133_FB5F71D46790C3AD_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CN2CCN(CC2)C3=NC=CC=C3,RVTHFRRJDXFZSA-UHFFFAOYSA-N
-C7D195F3CD5BB86E_EF1897381364D3CF_6006_UN,C1(=NC=NC(=C1)NC2CCOC3=C2C=CC=C3)C4=CC=C(C(C)O)C=C4,LHKGFUAAOQYSQV-UHFFFAOYSA-N
-C9FB780BC3A8A752_5975988C27278467_6034_UN,CC(N)C1=CC2=C(C=C1)N(C(=N2)C3CC3)CCC(C)(C)CBr,JTZREXVVGBLUPF-UHFFFAOYSA-N
-CA6EC6B1C031E08A_4FDA90ACCB863247_6029_UN,N(CC1(CCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)OC(F)(F)F)(=O)=O,FSCWLYUHXKUQSB-UHFFFAOYSA-N
-CE68341ED68FA528_01ECCE23F8C053F7_6003_UN,O(C1CCC(Cl)CC1)C2=CC=C([S](C(F)(F)F)(=O)=O)C=C2,ZCXIJXGYDDBZKR-UHFFFAOYSA-N
-D09672CB736192FC_B7BE01432F8DAC24_6034_UN,O=[N](=O)C2=C(C=C1N(C(OC1=C2)=O)C3=C(C(OCC)=O)CNC3=O)Cl,WAWBIEXLPCFGOZ-UHFFFAOYSA-N
-D1DCEEABF302C695_C34B591AA0AAFF16_6038_UN,CC(C)C(=O)N1CC(F)(CNC(C=C[P](OCC)(=O)CC)=O)C1,XUQRHKDTGSQPPG-UHFFFAOYSA-N
-D20ADA43657215DB_FC0AD453773B7ABA_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCC(C)(C)CBr,PFTNWQOFPRBSID-UHFFFAOYSA-N
-D24BF66E958074B2_FFC3F5F714CBB242_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=C(C=C2)F)[S](=O)(=O)Cl)Cl)C3CC3,OITKKXZIEGIOJF-UHFFFAOYSA-N
-D3D363A1397D0ABA_5AC18C0F3A543D4C_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,OGUDHQGTDSOSSA-UHFFFAOYSA-N
-D56ED04EDF75A8DD_81A3A2D02461FF05_6041_UN,O=[N](=O)C1=NC(=CC=C1)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,MRSGBBBYHVFIRZ-UHFFFAOYSA-N
-D6CAE54663B2EF2F_63EF0F88208A8722_7022_UN,CC1=C(C=C(C(=C1)OC2=C(C=C(C=C2)Cl)[S](=O)(=O)Cl)Cl)C3CC3,LSMVVZQBGTVECX-UHFFFAOYSA-N
-D80DEC227D261D43_7166A09B632CCA3B_6041_UN,OC(=O)C1=C(C=CC=C1)C2=NC(=NO2)C3=C(C=CC=C3)NC4CONC4=O,VWSUYZDLVLMWTO-UHFFFAOYSA-N
-D899F2121553F1C9_026BDC84EE6AD7B8_6031_DP,N2CCC(=C(F)C(=O)OCC1=C(CCN(C)C)C=CC=C1)C2,CYKRMCXPRLEEOY-UHFFFAOYSA-N
-D9B2E9869537FD32_24DF63978CB58F34_6038_UN,N(C1=CC(=CC=C1)N2C(NNC2=O)=O)C(=O)C3=CSC(=N3)C4CC4,UKPXEEOPGZINNQ-UHFFFAOYSA-N
-DAE04980BDF078F9_49D979988EE25A52_6038_UN,N(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=NC=C3)N4CCCCC4,CLVIJGWCKRNIAZ-UHFFFAOYSA-N
-DB51D62A3FB9B5A1_2A3CFEC9418578A0_6003_UN,O(C1=CC(=CC=C1)N2CCCCC2=O)C3=CC=C(C(C)=O)C(=C3)C(F)(F)F,OAOSRQFDAVRLDH-UHFFFAOYSA-N
-DCDDF6644CBBD8AF_8405C1237E2DD114_6003_UN,O(C2=C1SC=CC1=NC=C2)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,VUKPTJXGZMJQRC-UHFFFAOYSA-N
-DD18BEAABFE7DFF5_DF9763D88680897A_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(=O)CCC2=NC(=NO2)C3=NC=CC=C3,FWXRTUYESVWUTM-UHFFFAOYSA-N
-DD74C73CEB865898_6366B6EC43873ADC_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=CC=C(N3CCN(CC)CC3)C=C4)=O,CQSAKQMFWJSNOL-UHFFFAOYSA-N
-DE3B82C4E2BB68C6_BB0BCE69B303BDDC_6031_UN,O(C(=O)CC(F)(F)C(F)(F)F)CC2=NC1=C(C=C(C=C1)C(F)(F)F)S2,JMFPQYHXGIKONV-UHFFFAOYSA-N
-DEE769A8377E0675_85C6B53C412D2BDA_6036_UN,C(C1=CC=C(C=C1)C#CI)N([S](=O)(=O)C2=CC=CS2)C3=NCCN3,SGYXSXDYGJAZPI-UHFFFAOYSA-N
-E16A30F422538D66_1EB16827E60A03E2_6003_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C3=CC=C(C(C)=O)C(=C3)C(F)(F)F,PQWLIXUCZKCUTO-UHFFFAOYSA-N
-E325575CA6A666D5_887E8C0A53A7BE07_7019_UN,C(C(=O)N1CCNC(=O)C1)=CC2=C(C=C(OC(F)F)C=C2)F,KTHRSGASRTWUDG-UHFFFAOYSA-N
-E345F8CD09D43303_32941ED990ADCA4C_6034_UN,CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CCC(C)(C)C(F)(F)F,GMQZNEPCDRAVCW-UHFFFAOYSA-N
-E3B93B98C6FD5CD3_109AA60DCF1281B0_6041_UN,COC(=O)C2=NN=C(CC1=C(C=CC=C1F)NC(C)=C(C#N)C(=O)O)O2,LLNXHKKVGAVYKM-UHFFFAOYSA-N
-E4EBF9455AECE2FF_CA44CEB0A01B1CEF_7022_UN,COC1=CC(=CC(=C1)N2N=C(C(OC)=O)CC2=O)[N](=O)=O,PJQOGMFEEWPNBC-UHFFFAOYSA-N
-E5802D2681BC6EE4_DA494B586F25F59A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=CC(=C5)C6=N[N](C=N6)C)(=O)=O,KOFSEUBPOIUKGE-UHFFFAOYSA-N
-E66DFEC30D85915A_6DCAFCA4984ADACF_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NCCC#C[Si](C)(C)C)C,UPXLJLAEVIAVQW-UHFFFAOYSA-N
-E7D504B959098467_AA048984CBFB443F_6041_UN,OC(=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C(OCC)=O)C=C(C=C3)OC,ONBFTHXGDBANRQ-UHFFFAOYSA-N
-E90D177CE877C41D_E58D2A89CE24BCCA_6041_UN,FC1=CC2=C(C=C1)C(=NC=N2)NC4CCN(C3=CC=C([S](CC)(=O)=O)C=C3)CC4,VQHSXRSLZRLNGY-UHFFFAOYSA-N
-E91497220077D01C_55B10BE790571FEF_6035_UN,O(C2CC1=C(C=C(C=C1)F)C2)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,WTPGIBSJKUSFOD-UHFFFAOYSA-N
-E9D0F4E392DB5F9F_88FCFB3ECEBBC295_6029_DP,N1C[C@@H]([C@H]1CN[S](C3=CC=C(C2CC2(F)F)C=C3)(=O)=O)C4=CC=CC=C4,LMHRQPVKXCDYHM-GVYDCBATSA-N
-E9EA7BCDB1B2DE96_4E763401433DB2AE_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=C(C(F)(F)F)C=CC=C3)(=O)=O,YKTFDXRABSLWAM-UHFFFAOYSA-N
-F1C556FF1083131B_F3ACBA4F9E652F59_6038_UN,C[C@H](OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)CC(=O)N(C)C,LNOPLDLPTWXBFI-JTQLQIEISA-N
-F21286155B754789_E0A2338658116EE2_6038_UN,CC(NC(C1=NOC(C(C)(C)C)C1)=O)C2=CC=C(C=C2)C3=N[NH]N=N3,TZIXZCAITLQZER-UHFFFAOYSA-N
-F27340EB43E4578E_75DB6237F8C7E874_6038_UN,CN(C)CC1=C(C=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)C,NIXOCXQZLDDDHW-UHFFFAOYSA-N
-F30CE91AE4A2C532_643FB958D3BC4C1D_6029_UN,N([C@@H]1C[C@H](C1)C2=C(C=C(C=C2)F)F)[S](C3=C(C=CC(=C3)Cl)Cl)(=O)=O,DENAVGHZRLUECT-OTCDBFHCSA-N
-F4396C678FC55340_9E08E1B9259E8AB0_6029_UN,CN(CCN(C)C(=O)OC)[S](C1=C(B(O)O)C=CC=C1)(=O)=O,FMJRWYDJHVEYRZ-UHFFFAOYSA-N
-F6A23D2E2167BA2C_F3DE4BCE80CA6F62_6029_UN,N(CC1(CCC1)C2=CC=NC=C2)[S](C4=CC=C(C3CC(F)(F)C3)C=C4)(=O)=O,UHTXCDNTXBKWKE-UHFFFAOYSA-N
-F717BC5083908F2A_7B873B5B8CB039F1_6041_UN,C1(=CC=C(C#N)O1)NC(CSC3=NC2=C(C=CC=C2)S3)C(=O)O,NDUPGKRHBXXPBN-UHFFFAOYSA-N
-F7338D746A74084D_5E314CE14373D934_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=CC(=NO2)C3CNC3)=O,WVXHEMRNOHMUOF-UHFFFAOYSA-N
-F755F62C3BF1F638_53E6C09A1E74FE73_6038_UN,CN1CCC(CC1)[N]2C(=C(C=N2)NC(=O)C3=N[NH]C(=C3)C4=CC=C(C=C4)F)C,HEBMSGYJAMRQAQ-UHFFFAOYSA-N
-FA7916BE3A8A87B0_4044EC8D1046C1FF_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)NC3CCC(C2=CC=C(C)C=C2)CC3)Br,APTRXTBIOJIVBD-UHFFFAOYSA-N
-FA7FBC0925B81572_B511DDF09FDF1011_6038_UN,O(C1=CC(=CC=C1)OC2CC2)C(=O)C3=C(C(=CC=C3F)[S](=O)(=O)Cl)F,JBJACTHWNJUINO-UHFFFAOYSA-N
-FAF2CB8B5BD7DB5B_09B9DA5A254ABF49_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=CC=C2)Br)CC4=CC(=C(N3CCN(C)CC3)C=C4)F,PTBHIFSOYOWMFF-UHFFFAOYSA-N
-FBBC31746E2724CB_092E93DD12A71536_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](C)N=C1OCC(=O)O)(=O)=O,YODABFXQXHGZFY-UHFFFAOYSA-N
-FEF44D904C044388_03038D7B4AF3B014_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)CC2=N[NH]C(=N2)C3CC3,HQMMMFABRJAPMP-UHFFFAOYSA-N
-rxn:1:43336:25399,COc1cccc([N+](=O)[O-])c1C#CCn1cc(CN2C(=O)SC(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)nn1,YKBGNZLROZJZNQ-UHFFFAOYSA-N
-rxn:1:50609:39647,O=C1Cc2cc(C3C(Cn4cc(CC5(C(=O)O)CCNCC5)nn4)C3(F)F)ccc2N1,YKKIYRLEBANCJQ-UHFFFAOYSA-N
-rxn:1:50719:8061,Cc1cc(O)cc(C2CCN(C(=O)c3cn(CC4C(c5ccc(C(=O)CCl)cc5)C4(F)F)nn3)CC2)n1,CNQFLXBYVVIPBJ-UHFFFAOYSA-N
-rxn:1:50746:39647,CC(=O)Cc1ccccc1C1C(Cn2cc(CC3(C(=O)O)CCNCC3)nn2)C1(F)F,LKFTXNOAXKTDSH-UHFFFAOYSA-N
-rxn:1:51209:32841,CC(C(=O)Nc1ncc(Br)cc1-c1cn(CC2C(c3cccc4c3C(=O)OC4=O)C2(F)F)nn1)N1CCCC1,GXFDEQPKRJEEPY-UHFFFAOYSA-N
-rxn:1:51209:33405,CC(C(=O)Nc1ncc(Br)nc1-c1cn(CC2C(c3cccc4c3C(=O)OC4=O)C2(F)F)nn1)N1CCCC1,KQRRYWJJQFIHCW-UHFFFAOYSA-N
-rxn:1:53353:24648,Cc1ccc(C2C(CCn3cc(C4CC(=O)N(C(CCO)C(=O)O)C4)nn3)C2(F)F)o1,CIQLRTTWOTXMPS-UHFFFAOYSA-N
-rxn:1:53651:25296,COc1ccc(N2CC(c3cn(CCC4C(c5ccc(O)c(Br)c5)C4(F)F)nn3)CC2=O)c(C(=O)O)c1,SKDPSZCKJITCKF-UHFFFAOYSA-N
-rxn:1:53791:24598,Cc1cnc(F)c(C2C(CCn3cc(C4CC(=O)N([C@@H](Cc5ccccc5C)C(=O)O)C4)nn3)C2(F)F)c1,YDVCLUOBIKOWGS-ZBMMJMFMSA-N
-rxn:1:54197:24842,CC(C)Oc1cccc(N2CC(c3cn(CCC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)CC2=O)c1,PFXGJKHPXFTQPF-UHFFFAOYSA-N
-rxn:1:54228:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CCC3C(c4ccc(C(C)=O)cn4)C3(F)F)nn2)CC1,FJFSGMSLNAPTHI-UHFFFAOYSA-N
-rxn:1:54876:26049,O=C1CC(c2cn(CCC3C(c4ccc5[nH]c6c(c5c4)CCCC6)C3(F)F)nn2)CN1CCC[Si](O)(O)O,WNRIZEDLFVGSEP-UHFFFAOYSA-N
-rxn:1:60348:29369,Cc1cccc(C(=O)N2CCC(n3cc(-c4c(C)cccc4C(=O)N4CCCC(C(F)(F)F)C4)nn3)CC2)c1,MMCFCOZOMJUPSC-UHFFFAOYSA-N
-rxn:1:61234:29382,Cn1cccc(C(=O)N2CC(n3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)C2)c1=O,YJCXPPOHSGGFSQ-UHFFFAOYSA-N
-rxn:1:63255:28606,COc1ccc(C(=O)O)c(N2CC(Cn3cc(COc4ccc(C=C5ON(c6ccccc6)N=C5C)cc4Br)nn3)CC2=O)c1,NVUMNXAFTRGFSE-UHFFFAOYSA-N
-01EC497DC919DC2B_F32CA5D2D2E7FFF5_6041_UN,C[Si](C)(C)C#CC1=C(C=CC=N1)NC3CCC2=NC(=C[N]2C3)C4=C(C=CC(=C4)F)F,LKVIMDZIKLRMLT-UHFFFAOYSA-N
-020CEBB9D06085B7_41BAE8D4A0D63294_7013_DP,N1CCC(CC1)[N]3C2=CC=CC=C2N=C3C[C@@H]([C@@H](CO)O)O,RALUCDBTAXXWGH-LSDHHAIUSA-N
-045C81BB491C5CDB_37135241BAD09E85_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=CC(=N4)C)=O,GKDFRLMGUDMTNA-UHFFFAOYSA-N
-064A183CC3DAC515_1017928139B02D5C_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,ISSDTIADFWIXFX-CYBMUJFWSA-N
-08EABD9775952044_DAB0A500FCA3E804_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=C(C)O5)(=O)=O,PERFVBHMJKIWML-UHFFFAOYSA-N
-099102D0F315AE8D_25D3444D6CF148C0_6026_UN,[S](=O)(=O)(C2=C1OCCCOC1=CC=C2)N4CCC(C3(C(F)(F)F)N=N3)CC4,KNNZAQGJQMHERB-UHFFFAOYSA-N
-0C70B945A35C4C9B_6C7E38BD0D1B9DAB_6041_UN,OC(=O)C1=C(C=CC2=C1OCO2)NCC(OC(C)C)=O,PGMLQXDJLSXCFI-UHFFFAOYSA-N
-0DB5E0D1BFFB7F11_44DA9EA7E7CE38AB_6038_UN,N(C1=CC=C(C=C1)C2=CSN=N2)C(C(NO)CC3=CC=CC=C3)=O,UPAKBDKNJCXZAZ-UHFFFAOYSA-N
-0E88F63061028636_FC2987C42D1CAF9A_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC3CC3,QSIBIWSJVWYZNK-UHFFFAOYSA-N
-0FABD4F67782BB3B_4EA8702DD2E2CCA7_6038_DP,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(C(=C2CNC2)F)=O,UOIGNOUYBIWMSO-UHFFFAOYSA-N
-0FCD36A391F50AE8_2542B9CAEB6DD5A4_6038_UN,COC1=C(C=C(C=N1)NC(C(CC(OC)=O)=C)=O)C#N,FBMANLLIOBGUIY-UHFFFAOYSA-N
-110BB75BAAE97B0E_DB704ECAB2F5F29F_6041_UN,C1(=NC=C(C=C1)C2(CC2)C#N)NC3C(C4=C(OC3)C=CC=C4)=O,RTVZAGDWKQPBFB-UHFFFAOYSA-N
-1135FB9BB88AE82E_07159FB2E2936F53_6038_DP,N3C[C@@H](NC(C2=CC1=C(C=CC(=C1)C)S2)=O)[C@H](C3)[N]4C=CN=N4,GYYLFOVIZKTBDG-OLZOCXBDSA-N
-11DBB328C4DE9588_46E8FFE95FB6FF3F_6004_UN,O[S](=O)(=O)C1=CC(=CC=C1)C2=CC=C(C=C2)C3=C(C=CC=C3)F,PTYVREGQSPSQIK-UHFFFAOYSA-N
-11EB4363AC55260B_318A1393DC053B23_6031_UN,NC(CB(O)O)C(=O)OCC1=C[N](N=N1)C2=C(C=CC=C2)Br,XBDJJHYZZBZIBW-UHFFFAOYSA-N
-12C894A68F2732D3_556AFB6C8BF7ED87_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CN=C(C)C=N3)=O,KPQRRWWEZPODKZ-ZDUSSCGKSA-N
-14F8F55352944F0D_BBCD530DEC5C7718_6038_DP,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C4=C(C3CNC3)[NH]N=C4)=O,KRLOJUCLBWFIPI-CQSZACIVSA-N
-16DF240D4D13EC24_295FAB60801B64F3_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=CC=C2)Cl)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,HOYGDSUXLMEZPW-LEWJYISDSA-N
-17C8FC385952968B_E1E9A4B8E5111A95_6039_UN,O(C1CC(C1)(C#N)C2=CC=C(C=C2)F)CC(C3=C(C)N=NS3)=O,ILWUREUDUGHANW-UHFFFAOYSA-N
-18604F3770A8B9ED_FA68703AE13F38FF_6005_UN,C1(=CN=C(N=C1)N2CCNCC2)C3=CC=C([Si](C)(C)C)C=C3,TXDJMZIGZSVQOQ-UHFFFAOYSA-N
-19922801E743FBCF_955B86EA71E8DCE2_6041_UN,C2(=C1C(=CSC1=NC(=N2)C3CC3)C4=CC=CC=C4)NCC5(CC[N](C)(CC5)=O)[S](=O)(=O)C,DSDQVRJQRGDWMD-UHFFFAOYSA-N
-19EE66F160A04718_E7B2312FFE7AD099_7019_UN,CC(C)(C)C2CCC(C=CC1=C(C(C)(C)C)C=CC=C1)CC2,WPBQJMFLUVTBPM-UHFFFAOYSA-N
-1B29EA7186D68C11_94BC26E4312F1E8A_6041_UN,OC(=O)C1=NC2=C(C=N1)C=C(C=C2)NC3=C(C)C=C(C=C3)OC4CCOC4=O,UPQWTXAOLQWJPM-UHFFFAOYSA-N
-1E1E91D1DE76EEE5_8807DAB373D00FAC_6028_UN,N(CB(O)O)[S](C1=NN=C([N]1CC)C2=CC=C(C=C2)C(C)(C)C)(=O)=O,IVTGGZKJCWNPLJ-UHFFFAOYSA-N
-1ED578C2C33B0362_66CBFD34FE1DD743_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CC4=C([N]3N=CN=C3N=C4C)C)=O,QCXPYBNRZDVXFX-UHFFFAOYSA-N
-200924A27CBCEA3D_F62ACAEEAE6E894F_6006_UN,CC1=C(SN=N1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,JEXZYFDCMLPEJL-UHFFFAOYSA-N
-2041A16DDABD3B35_6ACBF7774DD57E3E_6041_UN,C1(=CC=C(O1)C(=O)CC#N)NC2=C(C)[N](N=C2)C[Si](C)(C)C,RTOUUZVJVQIZBV-UHFFFAOYSA-N
-210F3A8F17A35028_74C1A3175E7BF81B_6003_UN,CC2=C(OC1=CC=C(C(NCC(O)=O)=O)C=C1)COC2=O,RVROFOMTJLRNAR-UHFFFAOYSA-N
-211DD731E0EAB23D_40057D2803F844AF_6028_UN,N(CB(O)O)[S](C1=NN=C(C(C)C)[N]1CC2=CC=CO2)(=O)=O,GBDHZOTYTFXCNP-UHFFFAOYSA-N
-212338423BE38C60_3F0C9AFEA880E298_6004_UN,C2(=C1C=CNC(C1=CC=C2)=O)C3=CC=C(C=C3)C4(O)CCC4,UTMZHZOBRASERR-UHFFFAOYSA-N
-22531F2AF466E72D_99C3E1D033656A8F_6029_UN,N(N1C(CC1)=O)[S](C2=CC(=C([N](=O)=O)C=C2Cl)F)(=O)=O,XYGFORBPHJVDTG-UHFFFAOYSA-N
-2423271E0D2555BA_BB62D31535A8C92D_6041_DP,N1CCN(CC1)C(=O)C2=CN=C(N=C2)NC(C)C3C(C4=C(O3)C=CC=C4)C,PIROISZPIPFFQU-UHFFFAOYSA-N
-2446B12CEAD134A1_B47D6C088421A7B7_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,OYNQSEJUWZLPEI-UHFFFAOYSA-N
-246A7757820E89B8_D6F847ECEF64F3EE_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CSCC3)CC(C(C4=NC=C[N]4C)N)(C)C,LYMHHEKVPFCSKF-UHFFFAOYSA-N
-2589CA946F88D59D_B8E0E2564E12D31F_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC(C)(N3CCNCC3)C4=CC=C(C=C4)Br,LFKLOQNHUMSYIL-UHFFFAOYSA-N
-285C2743D8901007_35AF9A34AE37A033_6041_DP,N1CCCN(CC1)C2=NC(=NC=N2)NC3=C(C=CC=C3)[As](=O)(O)O,TYKWEEXCOBJPLS-UHFFFAOYSA-N
-288D07BB2F9A3CCC_6E0FA35E3B9AA3A9_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C[N](C(=C4)C)C)=O,RQQZBHPQWIFASV-UHFFFAOYSA-N
-2D2D1857EA5B5EDE_3D5E9D88C380329C_6034_UN,ClC4=C(C=NN(C2=NC1=C(C=CC=C1)N2C(CC3=CN=CC=C3)([P](=O)(O)O)[P](=O)(O)O)C4=O)N5CCNCC5,LOKNQSJEIARUKP-UHFFFAOYSA-N
-2D4C0DC164ED2990_E37AA1AB62BD8ADE_7019_UN,CCC3CC(C=CC1=C(O)C=C(C=C1)C2=CC=CC=C2)C3,DZTJILJOCXLWBG-UHFFFAOYSA-N
-2E2C3A5553A5B104_519AD9A0CA6906E1_6028_UN,N(C1CC(N(C1)O)=O)[S](C3=NN=C(C2=CN=CC=C2)[N]3CC=C)(=O)=O,HEVZMDJTBWMRSV-UHFFFAOYSA-N
-2F1D5D3FFE8B118A_B22D1A854592A269_6029_UN,CN(CC(CO)CO)[S](C1=CC=C(CC(C)(C)O)C=C1)(=O)=O,LLPREISDHPDEEP-UHFFFAOYSA-N
-2F7021145A50E65C_B55166E89C615DA5_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC(C2=NC=C[N]2C)C3CC3,AHFUDAAKLLUVIW-UHFFFAOYSA-N
-2FD4008E89AD414F_597AA2C9CA7EA80B_6029_UN,N(C1CCCC1CCO)[S](C2=CC=C(C=C2)C3=CN=NC=C3)(=O)=O,QVAPLRXNVIQFJN-UHFFFAOYSA-N
-33E3C9F081668CB7_484B64A70545FDF9_6038_UN,CC(C)CC(NC(C(NO)CC1=CC=CC=C1)=O)C2=NN=N[NH]2,OSHZIVMHUWPWLG-UHFFFAOYSA-N
-343AE8F03B27B72C_FF9AC3CC496EC69C_6038_DP,CC1=C2C(=CC=C1)OCC(C2)NC(C4=CN=C(C3CNC3)N=C4)=O,KXPHSVNFVACIJS-UHFFFAOYSA-N
-38EB5EB8C3D3C685_5E772C4CDDC07D31_2875_DP,C[C@@H]1CNC[C@H]1[N]2N=NC(=C2)CCC(C3=CC=C(C)C=C3)=O,JCDQWARAWCMKRT-CZUORRHYSA-N
-3BBD308D209B06C7_4A478C2F231F2ADA_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C([N](=O)=O)C=C[N](=C3)=O)(=O)=O,IFTWPNFSIAZVFT-UHFFFAOYSA-N
-3D20702165C5F3AA_F8BB261DD9171CC8_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(C=CC(=C2)F)F)(=O)=O,IYLXFTPJOKBBLM-UHFFFAOYSA-N
-3DD1DF0920A6492C_D31517F3C7CE7131_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,FDLHCRXWEQJYMT-UHFFFAOYSA-N
-3E2A5EADDAE8E083_D9816CA47D4C84F4_6041_UN,C[S](=O)(=O)C1=C(N=CC=N1)NC3C2=CC=CC(=C2OCC3)CC,WKUGJLOOMPNXHB-UHFFFAOYSA-N
-3FEA421BFA9DC04E_4B524CC8359141B4_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2CC(F)(F)F)N3CCOCC3)(=O)=O,QZBXQJSAEMOSGB-UHFFFAOYSA-N
-409F8491A2DE859A_4E11E8DB1AB8239C_6003_UN,CC[N]1N=NC(=C1)C2=CC=C(C=C2)OC4=CC=C(C(N3CCN(C)CC3)=O)C(=C4)C,QWGVPFNWMQJLGQ-UHFFFAOYSA-N
-411A4E4EFBBF3372_A81D10BC534AC931_6029_UN,ON(CC=C[P](=O)(O)O)[S](C1=CC=CC(=C1)CN(C)C2CC2)(=O)=O,NGHXLOKNNUJGDH-UHFFFAOYSA-N
-42708AA20C035917_B0463A71938575C5_6041_UN,OC(=O)CN1C(=O)COC2=C1C=CC(=C2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,DZDLYBLCROREBT-UHFFFAOYSA-N
-429D01D940869622_CF34F3577B571F8C_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=C[N](C3=C([N](=O)=O)C=CC=C3)N=C4)(=O)=O,IITGERNNKYPKJE-UHFFFAOYSA-N
-42DB90D4164458E9_EEEF04683E9F67B9_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C(OCCN(C)C)N=CC=C1)(=O)=O,NDPPTWGKNIGAOM-UHFFFAOYSA-N
-430D350DD7C5363D_80EC94E52C5A8642_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN(C(=CC4=O)C)C)=O,MYNSCYMGAUUCAJ-UHFFFAOYSA-N
-433A85ADCC7D5C18_05D17257B9BEF1E0_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,JSXGTIVMOGYTMP-UHFFFAOYSA-N
-439ED8DB6BF3182C_79ACF85C32AC0666_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C(N=N[N]3C)Br,PAYPEJBDCIOAGP-UHFFFAOYSA-N
-43FC7BD9C0A74551_F1312C7CDB0830C4_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C4=CN=C(C3CNC3)N=C4)=O,RPJORNPUXRQAJC-UHFFFAOYSA-N
-4670CF4D6ED4861F_F73C23E2A14C93B7_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CSCC3)CC(C(C4=NC=C[N]4C)N)(C)C,JSQDRDBIBRQDEW-UHFFFAOYSA-N
-46AB2135C0B41A29_A2D874C99556EA37_6038_UN,CC(C)C(OC(=O)C2=CN1CC[S](=O)(=O)N=C1C=C2)CN(C)C,RIPYSKBFDMVZRD-UHFFFAOYSA-N
-49034321F9FE6EB3_FC722CF0BBB9627C_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=C(C=C2)Cl)Cl)(=O)=O,MTKHJZJJPHLXCA-UHFFFAOYSA-N
-4ACD8E5F835B0322_A90F1DFE76538B25_6009_UN,COC(=O)C(=CC)C(C(N1CCN(C)CC1)=O)CC2=CC=C(O2)[N](=O)=O,OLMDKQZTLXJIAP-UHFFFAOYSA-N
-4E27BEEC8D9E1A0A_3F094EBA70E24463_6029_UN,O=[N](=O)C1=C(N=CC=C1)N2CCN(CC2)[S](C3=NC=C(B(O)O)C=C3)(=O)=O,APKQTCKAVKZMEB-UHFFFAOYSA-N
-4E7F0E88B77091A3_44C5B11F9DEED9A2_6003_UN,CC2(F)CC(COC1=CC=C([S](C)(=O)=O)C=C1[S](=O)(=O)Cl)C2,GLGZKAVBFHIGKD-UHFFFAOYSA-N
-4F062716467E3B88_59B0896B208B19E3_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=C(OCC)C=C(C=C2)N3CCN(CC3)C(C)C,OWWQJKYMEPOCLL-UHFFFAOYSA-N
-4F9A27E5D1EC7A72_E46FBBC5D062D040_6038_DP,N(C1=CC=C(C=C1)N2CCC2=O)C(C3=CN=C(CNC)N=C3)=O,QDUQCCZLKNHIAE-UHFFFAOYSA-N
-508C696F55583693_A5AE1B1F9317BD78_6038_UN,S(C1=CC=NC=C1)C(=O)C2=CC=C(C=C2)C3(CC3)C#N,CWUPVVCKWGMZCK-UHFFFAOYSA-N
-513928DE63441BBD_1E6D0D8C07E04DDB_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC(C2CC2)C3=CC4=C(C=C3)OCCO4)[NH]5,KJCWAEHOOZIRIM-UHFFFAOYSA-N
-5210F01AD7645A6A_65DB2894B9122304_6039_UN,O(CCC1(CCC#C)N=N1)CC2=C([N](=O)=O)C=C(C=C2)F,QEGCPDAEVOPAHG-UHFFFAOYSA-N
-53A6128C1F2EB6D7_DEF0B41C5C885512_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)CN2C(OCC2)=O,UDVRHAIBBIJQJB-UHFFFAOYSA-N
-55A373667BADC5FD_5EC7ECD7448EF958_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=C(F)C=CC=C2F)(=O)=O,UQJWQNUPSJDKPU-UHFFFAOYSA-N
-5A457EFB70BECB4C_0054A3455A1B19C2_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC(=C2)Cl)Cl)(=O)=O,AABVFJBVIMCBHB-UHFFFAOYSA-N
-5B32B48B128EC1F5_67E76925A0B4A244_6038_UN,N(CC1=NC(=CS1)C2=N[NH]N=N2)C(C(NO)CC3=CC=CC=C3)=O,DJRIDHYMGCTICH-UHFFFAOYSA-N
-5C8864AE95E42ECE_250329429E6D3049_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC(=CC=C2)C3CC3,UURJXSFBBHCEKJ-UHFFFAOYSA-N
-5D7AEF904C5837FC_0DB0E994EDB2603F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C6CCC[N]56)(=O)=O,SLWPAWRZIVMHCW-UHFFFAOYSA-N
-5F6C959BCE1CADB9_53CD092DE9B784E3_6003_DP,OC2CC(OC1=CC=C([S](Cl)(=O)=O)C=C1C#N)C2CC=C,OXAMPDMIONTRHI-UHFFFAOYSA-N
-5FFC2708FE17DA39_69BB76E8684CDE8C_6029_UN,N(N1C(CC1)=O)[S](C2=CC(=C([N](=O)=O)C=C2F)F)(=O)=O,FEMVSVLLFGUJOT-UHFFFAOYSA-N
-613643142F094C98_E5890B1CDB0AFEE4_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC4=C3N=CC=CC3=CC(=C4)Br,IUJWAMMHXBKSCN-UHFFFAOYSA-N
-6183D9D3A83459F5_0EE6BA684A59B3B0_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC(COC)(C)CN,DHHXIEUTCDBXDP-UHFFFAOYSA-N
-61EC4D649631353A_96F4799F4417F347_6039_UN,O(C1=CC(NN=C1)=O)CC2=C(C(OCC)=O)CNC(N2)=O,ZDVUQNFTPTVMRH-UHFFFAOYSA-N
-6398DCEA011906F3_5F3DBA9D54500E23_6029_UN,CCOC1=NC(=NC=C1)N2CCCN(CC2)[S](C3=CC(=C([N](=O)=O)C=C3Cl)F)(=O)=O,KTSQZILZFSILBE-UHFFFAOYSA-N
-64C9A998C9D1067E_388DDB2CC783CC1B_6005_UN,CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O)C=C3,BXUWNSAMBLPQOI-UHFFFAOYSA-N
-667149F55D20F530_7C57A15045E75E29_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,AEOAZSWHMDPRNS-UHFFFAOYSA-N
-66CE33E46A9A17B4_97029EABEE18C597_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(C=CC(=C2)F)Cl)(=O)=O,HANVXDZUPRDFSK-UHFFFAOYSA-N
-66D0193BD2BC651D_2CCF6F74F930327A_6034_UN,BrC1=CC2=C(C=C1)N=C(CC#N)N(C2=O)CC=C(C(C)C)C,QKZCMNWVEHMEDW-UHFFFAOYSA-N
-6709054E623F1EC2_CB4B64AF1FC3FB35_6038_UN,CC1=NN=C(O1)[C@@H]2C[C@H](C2)NC(C4=CC3=C(C=CC(=C3)C)S4)=O,BQCOGPFYVAMAAR-JOCQHMNTSA-N
-692BB8F4958DCD58_C2AF04E10D37F9D0_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)NC3C[N]2C(=NN=C2CC3)C4=C(C=CC=C4)F,ZFUOSIPBHWXJNV-UHFFFAOYSA-N
-6A01BED9B734FA81_6EA4AE05932C3091_6041_UN,C2(=C1NC(NC1=CN=C2)=O)NC(C)CC3=CC=C(C=C3)C#N,YVXYWAZSLKXUEA-UHFFFAOYSA-N
-6B082C249EB6F181_EA9D66A68DC8A5B7_7005_UN,C[P](=O)(C)C1=CC=C2C(=C1)[NH]C(=N2)C4(C3=CC=C(C(C)C)C=C3)CCC4,MTHREKIKTRPIBT-UHFFFAOYSA-N
-6B318E25AA400785_F7E6F45BF37E486E_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=CC(=C2)Cl)Cl)(=O)=O,VRUUFCVHVHTRHZ-UHFFFAOYSA-N
-6BE3C5869876AF0B_0E3E3307BEFF5AF0_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl)[N](=O)=O,SKSWCNRQXCWMJW-UHFFFAOYSA-N
-6DB19369CEE04CE0_2DE4CB05F940A71B_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NOC(C(C)(C)C)C3)=O,OUQGNXYEHWAILH-UHFFFAOYSA-N
-6E0627A93337BDBA_4D45559FAECE54BB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C)C=CC(=C3)N4C(=O)CCC4=O,WPZTYFBDPIPFTO-UHFFFAOYSA-N
-6E7633345A76C12E_2E2F1548E4A553DE_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC(=NC(=C5)C6CC6)C)(=O)=O,MXRPNLQGFVMUPG-UHFFFAOYSA-N
-6F59DBE0CA05E97E_C33C8A24CF7907C4_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)OC2CN(C2)C3=NC(=CN=C3)Cl,NENLHERYWCSLBI-UHFFFAOYSA-N
-6FB75D67584DAE16_F8E666194C87F5EA_6026_UN,[S](=O)(=O)(C1=CC=C(I)S1)N3N(C)C2=NC(=NCC2=C3)Cl,WVMYIYHKKCGICO-UHFFFAOYSA-N
-7094EDA8FC561756_96221CF3D7AFDBDB_6004_UN,O[S](=O)(=O)C1=CC(=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3,VTIIAROZOGVXKU-UHFFFAOYSA-N
-7097E7585430FAF0_3D81CDC135D4ED4E_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=C3[N](=O)=O)[S](=O)(=O)Cl)(=O)=O,ZGDITCCYMGVISD-UHFFFAOYSA-N
-733CCD1B14E3449A_45D993C3C4EF652D_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(CCC4=C([N]3N=NN=C3N=C4C)C)=O,CJFUMBCTDBPGIQ-UHFFFAOYSA-N
-73EF7EE59692EE05_9065AEF13ACE74A3_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NC3=CC(C(C)(C)CC3)=O,DXABPIBMDCGAMZ-UHFFFAOYSA-N
-75FBA5A6E3478E80_EF8D90B053964239_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=CC(=C3C)[N](=O)=O)[S](=O)(=O)Cl)(=O)=O,JTRLFKDCTOHOOM-UHFFFAOYSA-N
-76282A95F67EF74E_F1A41225AE8B26E8_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(N=CC(=C4)C)C)=O,DSJGAOCGATYKAV-UHFFFAOYSA-N
-78DA47773EC612BA_59FCAF01ACFEB9AB_6029_UN,N(CB(O)O)[S](C1=C[N](C(CC(OC)=O)C)N=C1)(=O)=O,SIMFXSUHGMQDIW-UHFFFAOYSA-N
-791E4BB9441E5956_67CA84B4810373BC_6029_UN,N(CC1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)C(C)Br)(=O)=O,MCTHMEIXLGWPJE-UHFFFAOYSA-N
-7A29700619735472_ED04606138FA67E3_6041_UN,C[N]1C=CC2=C1N=CN=C2NCCC(N3CCN(C(C)=O)CC3)=O,UJWQQTSKACTWAH-UHFFFAOYSA-N
-7AB2E52CD1B0779A_D276317D10DA8AC9_6006_UN,CC1=C(C(=NC(=N1)C2CC2)C3=CC=C([Si](C)(C)C)C=C3)F,JKWOIGZSJRNYDX-UHFFFAOYSA-N
-7C8CB320AE4FFC7F_91025AE9A5B27C89_6029_UN,CCCCOC1C(C(C1)N(C)[S](C2=C([S](Cl)(=O)=O)OC=C2)(=O)=O)(C)C,BTKRJLDRRXMTOA-UHFFFAOYSA-N
-7FBF854C807CE891_B7F70C4EC54AE7C5_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)F)C(CCC)=O,FYZWOVQNNWPQBU-UHFFFAOYSA-N
-7FCD59BD1D7465D8_DB0DBBBD51479507_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=C(C=CC=C2)C3CC3,OZIUXUBSWOKRFH-UHFFFAOYSA-N
-7FFB906DF985A8A2_E6B7AB5766BBBDDB_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C(OC)C=C3C)[S](=O)(=O)Cl)(=O)=O,NQMNUQVOQTUCKJ-UHFFFAOYSA-N
-80BC36A482FA3DAA_FDD2D6E977305A5E_6038_DP,CCOC1=C(C=CC(=C1)C)CNC(CN2CCNCC2=O)=O,LLNDGFZGGMNOJA-UHFFFAOYSA-N
-80E4D6887ACB19F3_46F2F6F3ABE9C54D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C2CC2)C3=CC4=C(C=C3)OCCO4,MHCLIECBGYBQRO-UHFFFAOYSA-N
-80F0DA2E5CE09BA5_2CCC96E279A70125_6038_DP,N(CC1=NNC(C=C1)=O)C(C4=CC3=C(N2CCNCC2)C=CC=C3S4)=O,NAEZTQQQVZTSSY-UHFFFAOYSA-N
-838291296D7D842D_9A454C4437E4C0B4_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(N=C5)C6=NC=CO6)(=O)=O,XJXQORLUMVMRCZ-UHFFFAOYSA-N
-8432841DADE85EF6_ECE7280C9183D2FA_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C4=C(C)[N]3C=NN=C3N=C4)=O,MRZBQTQDKFBOAB-UHFFFAOYSA-N
-869EEE310A0D0D71_44DE5682ACC26DF9_6038_UN,CCN1C(OC(C1)CNC(C(C)(C)C2=CSC=N2)=O)=O,AJNHASANXBKDMH-UHFFFAOYSA-N
-86FD79FF5144B1A5_3697ED6AFF7F1CD4_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,YPHCIWLNBLDALR-UHFFFAOYSA-N
-8709C214C5ADCE17_1AA813D3F5B14AEC_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(C2=CC=C(OC)C=C2)C3CC3,SGIMIBPMACNVDB-MRTLOADZSA-N
-874583C4AD649DD1_764C2BD1976F31C8_6003_UN,O(C(CC1=CC=CC=C1)C#C)C2=CC=C([N](=O)=O)C=C2[S](=O)(=O)Cl,QYLUJFIEUNMRFV-UHFFFAOYSA-N
-88808FE92682435D_329A0A6547892329_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)[N](C(=C3)C)C4=NC=CS4)=O,LHZBHSVSYBUDEY-UHFFFAOYSA-N
-898153C55DFECDA3_5586230E1AD5FB1D_6038_UN,CC(OC(=O)C1=NC=C(C=C1)C2=C[NH]N=C2)CCCC#C[Si](C)(C)C,UQIKSVQALRUKAX-UHFFFAOYSA-N
-89E81A22EDAD2FEF_7D929615D126D0F4_6041_UN,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)C(CCC)=O,XPCWSYJLOWZZAE-UHFFFAOYSA-N
-8E5996D525D35ADF_62ACC9FE0C55E454_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(F)C=C2)C3=CC=CS3,OMTJZGNVOWNHSB-UHFFFAOYSA-N
-8E9F80CC82486188_A7942D9350E15C9D_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCCC2)F)C(C3=N[NH]C(=C3)C4=C(C=C(C)C=C4)C)=O,XUMHDBDIJRFVKF-UHFFFAOYSA-N
-8E9FF50D0CBDA809_3B796B4A328B5283_6038_UN,COC1=C(C=C(C=C1)C(=O)CNC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)[N](=O)=O,UNQUOUYMLARFDJ-UHFFFAOYSA-N
-8EDB0BD40DD3669F_83CB4808FE5B854D_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C([N](=O)=O)C=C3)(=O)=O,LIDXZPMIZUMAMQ-UHFFFAOYSA-N
-91632D4FDEF663B0_6532BD0A245C1C84_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3CC3,JBOBXZGOFAJFTK-UHFFFAOYSA-N
-923873C8CAF5C386_5A9EB345B0FCBCCC_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C3=C2OCOC2=CC=C3)(=O)=O,LOFQBMCSJPVTEE-UHFFFAOYSA-N
-93CF6B01E3248B1D_F7DFD2186993588C_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(C=CC(=C2)Cl)Cl)(=O)=O,CRBXSIMEOCILAL-UHFFFAOYSA-N
-94B378CFF31BA955_0C095A30F4795B6C_6038_UN,CC3=C(OC(=O)C1=CSC(=N1)CC2=C(C=CC=C2)F)COC3=O,KFSYRDRMBKLOFQ-UHFFFAOYSA-N
-951DCEA3282C9EE6_5D7E195B41E2D87B_6038_UN,CC(C)OC(=O)CNC(C1=C(NC(OCC)=O)SC=N1)=O,JGDCIDVJJPCICF-UHFFFAOYSA-N
-96817A7DF8090ADF_32AA52CDB06A49EE_6039_UN,N[S](=O)(=O)C1=CC(=C(C=C1)OCC2=C(C(OCC)=O)CNC(N2)=O)[N](=O)=O,XOJORPXPFCGMBV-UHFFFAOYSA-N
-970EC2E928AEC311_D919F46FEF5C2B07_6029_DP,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C5[N](CCNC5)N=C6)(=O)=O,MSSQZVIZTBPMGJ-UHFFFAOYSA-N
-97ACE8ADF4741520_6CD19DBF2887B61F_6038_UN,N(CC1=CC(=CC=C1)N2C(CCCC2)=O)C(C3=C(CC)N=CN=C3)=O,YDEXMUUSYNGZQL-UHFFFAOYSA-N
-9851F4C222FCEB48_2014A325D80437F6_6029_UN,N(CCOCCCC=C)[S](C1=CC=C([S](F)(=O)=O)O1)(=O)=O,CRKIGIIMXFYCRP-UHFFFAOYSA-N
-98DB3B98DB440951_4099A878FF61F6A9_6029_UN,O=C1N(CCO1)C2=C3C(=CC=C2)CN(CC3)[S](C4=CC(=C([N](=O)=O)C=C4Cl)F)(=O)=O,JPKHCTLLNKHLHT-UHFFFAOYSA-N
-9A6007D0302D8058_0F031742ECE96F52_6041_UN,CCOC1=CC=C(C=C1)[N]2N=NC3=C2N=C(N=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,AKRFQSHFGCAGQR-UHFFFAOYSA-N
-9B7269075068AF51_5D6537D22266983A_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2=CC3=C(C=C2)N=CC=C3,GFCRDOUDKMTBRI-KRWDZBQOSA-N
-9DAF4162B76CB69F_704996C2D288F47D_6028_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=CC(=C(F)C=C2)F)(=O)=O,KMNJNVAVRFLSIJ-UHFFFAOYSA-N
-9E43611D2D8FE826_8ADE45B3283F314C_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(N)CC3=CC=C(C=C3)I,BPCKFRSHXHLUTL-UHFFFAOYSA-N
-9F49FD6177186AC3_7BE97FF9F3FD2E36_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC2=C(C=C(C)C=C2C)C,RNCFJNNFCJVHCR-UHFFFAOYSA-N
-A12C32D806705F7A_99DFBA4433125B9D_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=NC(N(C)CC3)=O,RSGGZGODQKDTJA-UHFFFAOYSA-N
-A19C6C1ADB0D07C0_014304F147BC342A_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C4=C(C=CC=C4)N5CCCC5=O,RZCOISDCJKPBME-UHFFFAOYSA-N
-A7FB6CDABE087955_C9CDC9A2F9F2793F_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NC3C(N(CC)OC3)=O,QWPQWNGEVAKOJJ-UHFFFAOYSA-N
-A893A312844ED76D_E572717599BAB72A_6038_UN,CCC#CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,KFIJPTBMKRQPII-UHFFFAOYSA-N
-AA0F2355E2F16974_B8D8A9FB2CE9E366_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC2OC(N(CCC(C)C)C2)=O,OGGJOUJWJAFXCR-UHFFFAOYSA-N
-AB697CB47D51F99E_4FFB8E3627C0BC5F_6028_UN,N(CCC1=CC=C(C=C1)I)[S](C2=C(C=CC=C2Cl)Br)(=O)=O,CNDWEMUUQOEZDQ-UHFFFAOYSA-N
-ABFC30282A61BB3B_FC7E7BB386E9D85F_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NCC3(C2=CC=C(C)C=C2)CCOCC3,QLCILUFIXQGZGY-UHFFFAOYSA-N
-AD2951BE9BB31262_4BB3AE37D4C5DD74_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,PRGNMBRVWBLWRQ-UHFFFAOYSA-N
-AE9BB75E7C0B0AFB_1545058BEF583287_6038_UN,CCCC(NC(C2=CC=C(C1CC1C)O2)=O)C3=NN=N[NH]3,OUVYBCYGQPZTNG-UHFFFAOYSA-N
-AF067A9C6DA0F492_56028B4E7C3593E6_6029_UN,N(CC(CO)CC1CC1)[S](C2=CC=C(C(C)C)C=C2)(=O)=O,QNZMBEJBMPRVRP-UHFFFAOYSA-N
-AF13AD65D8A1938E_0A0939BE98A1976C_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)Br)[S](C3=CC=C(C=C3)Br)(=O)=O,RAJHUULAEDZZDL-UHFFFAOYSA-N
-AF2CCB955ADF23B0_318E46D2AB23B3CC_6038_UN,C[Si](C)(C)C#CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,UUOMIRONWYBJIB-UHFFFAOYSA-N
-AF712E2063824B32_25E486C66FE07253_6031_UN,CN(C)C1=C(C=C(C(=C1)F)C(=O)OCCN2CCNC2=O)[N](=O)=O,BIKUVVVWEAOOJC-UHFFFAOYSA-N
-B1BA7E219B36B690_EB3C25A992B84A83_6038_UN,CC(C)C(NC(CC(C(OCC)=O)=C)=O)C1=N[NH]N=N1,DGYFJIGCVGWPOL-UHFFFAOYSA-N
-B1F34C2AA099BD64_B07173257925AAC0_6029_UN,N(C1CCN(O)C1=O)[S](C2=CC=C(CCC(C(C)C)=O)S2)(=O)=O,UPGHWLIOBNVCOL-UHFFFAOYSA-N
-B2B6A3FBF25C6027_FFD69DFCBE449909_6028_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,IPOLTXXMODGGAT-UHFFFAOYSA-N
-B3190240E9752D07_76910ADD61740709_6038_UN,CC1=N[NH]C=C1NC(C2=C(C=CC(=C2)C)N3CCCC3=O)=O,DTFJRZIJMWHAGC-UHFFFAOYSA-N
-B3FFC681E3C481B1_7EDF7B6908D0D9BB_2875_DP,NCC1=CC(=CC=C1)[N]2N=NC(=C2)C3=CC=C(O)C=C3,ZNHOFKOXIBLFAU-UHFFFAOYSA-N
-B472D5C76C7A828E_9B2CB4E0D69C92C8_7019_UN,CC2(C)CCC(C=CC1=C(C(C)(C)C)C=CC=C1)CC2,WXWZEMVUSOMZND-UHFFFAOYSA-N
-B4C5C47976F54ABE_9071F3FE122E4302_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(C)C2=CCN(C)CC2,IJGWIHKDPGCXSO-PVQCJRHBSA-N
-B690627C251AEA8D_44A64BC5F0058A48_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC(=C([N](=O)=O)C=C3F)[S](=O)(=O)Cl)(=O)=O,ZSURKAIQZUHGKN-UHFFFAOYSA-N
-B6D4F3878F338B84_910D4766E04F657C_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(F)C=CC=C2F)(=O)=O,YVXQNXJHMWYPCT-UHFFFAOYSA-N
-B70DF61BF8BD43D1_6D6C234871C24EB5_6038_UN,CC1=CN=C(CNC(CC(C(OCC)=O)C(=O)C)=O)S1,KWVJRBZAHBODJM-UHFFFAOYSA-N
-B7416BDEECC6977F_32F3642BDD1C58F7_6034_UN,CC2=C1OC(N(C1=CC(=C2)Br)CC4=C(N(C)C3=NN=N[N]3C4)C)=O,AXNWTODWUDJIJM-UHFFFAOYSA-N
-B8458DA6D1C917BF_2C819AEB93B68EE9_6038_UN,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C(=O)C4=CC=C(C#N)[NH]4,MHMLAOZRROEYFU-UHFFFAOYSA-N
-BB513B8976F121E3_B98C580508923BBE_6038_UN,CN(C)CC1=CC(=C(C=C1)NC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,JFGPBPBWGXNDSY-UHFFFAOYSA-N
-BCF521DDB721301E_F56ADA668A481FC9_6035_UN,O(C2CCC1=C(C=CC=C1)C2)C3=C(C=C(C=C3)F)[S](=O)(=O)Cl,DFHVRHBSVKBCDR-UHFFFAOYSA-N
-BD38F2966704FA13_5B04D7163A54E31A_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C)C=C3)N4C(=O)CCC4=O,HGOIGWUFWUVPGD-UHFFFAOYSA-N
-BDC5DE609EB78110_BE6D6F43D950E669_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C)N=CS3)=O,MSOXXCUNNAARDS-UHFFFAOYSA-N
-BDF623BBA464386D_DD9DEB9F1A65E39E_6038_DP,O(C1=C(C(=CC=C1)C2=CN=CC=C2)F)C(C4(ON=C(C3CNC3)C4)C)=O,PUUUMHAPYHGCNH-UHFFFAOYSA-N
-BE6ABAA03A4498C4_62B909ACFA512766_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,UPZOOSCFTUWNHF-UHFFFAOYSA-N
-BEB721F4721F4EF0_E62888BD0125A632_6029_UN,CCOC(=O)C1=C(C)N(N=C(C)C1)[S](C2=CC=[N](=O)C=C2)(=O)=O,XSXRAAPJINLMBO-UHFFFAOYSA-N
-BEBAA589B565D584_C9F20AFFBDB465E1_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C3OCOC3=CC(=C4)F)(=O)=O,DFKXLMZUPDNOOQ-UHFFFAOYSA-N
-C0BEAA0540774354_EA05875036047E3C_6038_UN,CC2=N[N]1C=C(C=CC1=N2)NC(C3=N[N](C)C(=C3)C4=CC5=C(C=C4)OCO5)=O,VTFLNXLYVZJBKE-UHFFFAOYSA-N
-C1BFB1F652A4FCEE_8254B4BE14359341_6029_DP,N(N[S](C1=C[N](C2=NC=NC(=C12)Cl)C3CC3)(=O)=O)CCO,YQSASIILSQLKML-UHFFFAOYSA-N
-C59D2507EA7A891B_24287570B063D1DF_6038_UN,O(C1CSC1)C(C2=CC(=C(OC)C=C2)C3=CC=CC=C3)=O,NFPJYEDKBZZGBD-UHFFFAOYSA-N
-C85271BF74272C50_03E37BF494AFCC68_6038_DP,N(C1=CC=C(C=C1)N2C(NNC2=O)=O)C(C4ON=C(C3CNC3)C4)=O,GHOOHTIOENQATF-UHFFFAOYSA-N
-CB2FF228F2676EAF_61ADC0B96FF64B0A_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC=CC(=C4)C(C)=O)=O,PNCIOJPYTCQKPM-UHFFFAOYSA-N
-CD19CB71AFF6AC4C_8201BC6F791424F5_6028_UN,N(CCC1=CC=C(C=C1)Cl)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,XPXYDTPNYIDYGJ-UHFFFAOYSA-N
-CDDFBD726B1859C3_6B6D922BEA38FE75_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=CC6=NN=C[N]56)(=O)=O,SNDOKXANJRCTPQ-UHFFFAOYSA-N
-CEFF0B840356E1AE_6397F78AAEF25BB1_6038_DP,CC(NC(C2ON=C(C1CNC1)C2)=O)C3=C[N](C=C3)C,FJXJJTXJLPAJSJ-UHFFFAOYSA-N
-CFC34805C900FC0E_B1E18E4A3719440B_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2=CC(=CC=C2)C3=NOC(=N3)C4CC4)[NH]5,PBLNFVRYGXEYAU-UHFFFAOYSA-N
-D014B7CA02E42BDC_1297E8CFEC92D479_6034_UN,O=C1N(C(C(C1)=C2CNC2)=O)CC3=NC4=C([N]3CCC)C=CC=C4,WZTDEQBRTNBGEP-UHFFFAOYSA-N
-D277DCC4224A3D19_11F236937ED4DB29_6038_UN,N(CC1=NN=C(N)O1)C(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,IHFUKXDSDOIRES-UHFFFAOYSA-N
-D4AF09D4455FEB17_EC5DFF9621646613_6038_UN,NC(=O)C(OC(C1=C(CC(OC)=O)SC=C1)=O)C2CC2,JDTBQQRAQLXHCD-UHFFFAOYSA-N
-D4CA008916B06811_2B538502E87B4C56_6041_UN,COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)NC[C@H]4OC(OC4)=O,ISXCOWUJGDLFOC-GFCCVEGCSA-N
-D4CD94B24AE1AB4F_E57FB90254FBCF4C_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4CC(CC)(C)C4)=O,ULHGJNOWZYDASJ-UHFFFAOYSA-N
-D80B2942CE776A48_14A31C5B6E363351_6028_UN,N(CB(O)O)[S](C2=NN=C(C1=CC=C(C(C)(C)C)C=C1)[N]2CC=C)(=O)=O,AHJXOAWPTZDAKG-UHFFFAOYSA-N
-D830D5110E68E14F_948DCF9AA1270C11_2875_DP,NCC1=CC=C(C=C1)[N]2N=NC(=C2)C3=CC=C(O)C=C3,SLOYKEYICHDUBW-UHFFFAOYSA-N
-D9CC25F9A3809D0A_C4307C0D0D210E3F_6038_UN,CC(C)(C)C#CCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,LJJAQLCFTYPJRR-UHFFFAOYSA-N
-DA21D775A31E61F1_76A0C7A20EE3CD6F_6038_UN,C[C@@H](NC(C2=C(C1=C(C=CC(=C1)CCC(C)=O)O2)C)=O)CC3=C[N](C)N=N3,IIJTYBKTFIOAGD-GFCCVEGCSA-N
-DB836CAF86E17115_324322190E2234ED_6038_UN,NC(=O)C1=C(C=CC(=C1)NC(C3=C(N(C)C2=NC=N[N]2C3)C)=O)[N](=O)=O,GQAPSSDINKTBTG-UHFFFAOYSA-N
-DBD706681B0C4F25_77D0443571329FBB_6035_UN,O(C2CCC1=C(C=CC=C1)C2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)F,RMUYYKBXMXSYIZ-UHFFFAOYSA-N
-DC605970BA180487_EC89D7026290A2B7_6038_UN,CC1=NN=C(O1)[C@@H]2C[C@H](C2)NC(C4=CC3=CC=CC(=C3S4)C)=O,ZNFYKOVQSSVMIC-JOCQHMNTSA-N
-DF5AE97DA2BE0193_F6D7E912DDB9E9A3_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCCCC3C(OCC3)=O,UBVAPXKZDKBSKB-UHFFFAOYSA-N
-E05504967452E8F6_9DEEBAF4C39BA65C_6031_UN,OB(O)C1=C(C=C(C=C1)C(=O)OCC3=C(N(C)C2=NN=N[N]2C3)C)[N](=O)=O,NGXQNDOWWYGJDX-UHFFFAOYSA-N
-E477A48239D026DB_9F92CB46E9E262C4_6041_UN,OC(=O)C2=C1C=CC=CC1=NC(=C2)C3=CC=C(S3)NC[C@@H]4OC(OC4)=O,BJOZIXWMFKNSCU-JTQLQIEISA-N
-E73E466F3F8B7FC4_2E85C43D4CB7A9EB_6031_UN,CC1(CC(F)(F)C1)C(=O)OCC2=C([S](C)(=O)=O)C=CC=C2,OJOKGQBBMDWFNR-UHFFFAOYSA-N
-E8B98E6DEC2CEEE6_18BB94450A3FBCC5_6038_UN,CCC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(C)C=N3)=O,RGWVCQKMFKUAEM-UHFFFAOYSA-N
-E8EAF2651ABB0458_86489F86F182B8CD_6028_UN,N(CC1(CC1)C2=CC(=CC=C2)Br)[S](C3=CC(=CC=C3)I)(=O)=O,VCKZGCPRGODFLA-UHFFFAOYSA-N
-EAAF9C5D90238282_99A9D3F0E535598E_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3C(OC(C)(C3)C)=O,DUNDDCWBKMQCOM-UHFFFAOYSA-N
-EAD9852840CD0E9D_86427629C4B95BE9_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(F)C=CC=C2Cl)(=O)=O,LILLGSIMMIRRAJ-UHFFFAOYSA-N
-EB299F4D1745A194_1350291EC35FE4EC_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,HCDFPUWLYHIQBS-UHFFFAOYSA-N
-EB5758BBEF32AF9F_63B7EC7EEE224FC8_6038_UN,CCC1=CC(=C(C=C1)OC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,RIFTUYWRGBCFTM-UHFFFAOYSA-N
-EB84CBDC25233140_37D6006B6E64D4DF_6038_UN,CCC1=CN=C(CCNC(CCCN(C(OCC)=O)C)=O)S1,TYMOHXHTLRLXTF-UHFFFAOYSA-N
-EBBD7488924CAF43_45EF50D5B0D3B0B6_6038_UN,CN1CCN(CC1)C5=NC2=C(C=C(C=C2)NC(C4=CC3=C([N](C(CC)C)N=C3)N=C4)=O)S5,SFJIBLCTDVKVSY-UHFFFAOYSA-N
-EDF245903885158D_9E38892472A2F102_6003_UN,CCN2CC(OC1=CC=C(C(CC(C(OC)=O)=O)=O)C=C1)C2,VWDONZJUUOLZMF-UHFFFAOYSA-N
-F054BB98FFBAF00C_645A4657AA23FEAC_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CCC)C(=O)O,PPCTWARAOUESHO-LLVKDONJSA-N
-F0BE52211955B85A_CDFBBF0F7878087E_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,BTBZFIDYVUDPRL-UHFFFAOYSA-N
-F11654AE8A8FEB95_794FF70E1960192A_6038_UN,COC1=NC=C(C=N1)CCNC(=O)C2=C(C=CC=C2)N3CCCC3=O,NEGVDVYBYNLAJU-UHFFFAOYSA-N
-F162F873C57DD1CA_B48831C759FB9B55_6038_UN,COC1=NC=C(C=N1)CCNC(=O)C2=CC=C(C=C2)N3CCCC3=O,DOLYHSCNCHJDMV-UHFFFAOYSA-N
-F29B4619D08BF940_92F4FBB32B597264_6038_UN,CN(C)CCN(C)CCCOC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,KAPFKQJPSLLXPJ-UHFFFAOYSA-N
-F3364226E2E4B948_49BB246C46CB46D5_6035_UN,CC(C)(COC1=CC=C(C(CC(C(OCC)=O)=O)=O)C=C1)N2CCNC2=O,PURLGEQLMZQYLW-UHFFFAOYSA-N
-F4705A314AB59318_B86BEEE8A2F85A67_6028_UN,N(CCC1=CC=C(C=C1)Br)[S](C2=C(C=CC(=C2)Cl)Cl)(=O)=O,COKFCRFYANVVBM-UHFFFAOYSA-N
-F4F717ADA8710204_7B79BBDD1C209E9A_6038_UN,COC1=NC=C(C=N1)CCNC(=O)C2=CC(=CC=C2)N3CCCC3=O,DZIFKTHNQCEVSD-UHFFFAOYSA-N
-F52BAE38A90734F3_B76148F3F64465CA_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCNCC4)C5=N[NH]N=N5,VSOBUPDTCZWGRK-UHFFFAOYSA-N
-F5A7E391BF9FCDF4_1AECF68F34D614DD_6028_UN,N([C@H]1[C@@H](C1)C2=CN=C(C=C2)F)[S](C3=CN=C(C)C=C3)(=O)=O,UQMDDENLBUBYKG-QWHCGFSZSA-N
-F6A93F079B435705_E8E3A0DFF590FC05_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)F)C(CCCC)=O,CWBDGOJVKMKFNK-UHFFFAOYSA-N
-F6AF59BD2067F25C_B3116479264FC17B_6038_UN,CCC(NC(C2=CC=C(C1CC1C)O2)=O)C3=NN=N[NH]3,RZRLDYLIKHFOQS-UHFFFAOYSA-N
-F6C75A164D9BD9EF_D9812A7C18454AD0_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=CC(=CC(=C3)Br)I,BGFBSRDDUMYNFL-UHFFFAOYSA-N
-F7BDF0485B46E4F4_CB290E82CFC68B01_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC2(C(C1=C[N](C)N=C1)N)CCC2)C,IEWSMMXJJYDTJP-UHFFFAOYSA-N
-F96B1BA8C0F98CB1_03C59F8DD3A06D8E_6038_UN,NC(=N)C1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,IKBRELODCBJCCU-UHFFFAOYSA-N
-FA8176DBC3319665_0003660CF39F8C30_6041_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)NC3C[N]2C(=NN=C2CC3)C4=C(C=CC=C4)F,CNLYSWJJMCMTDC-UHFFFAOYSA-N
-FBEB57D169730929_0386B4155FB741DE_6038_UN,CC1=N[NH]C=C1NC(C2=NC=CC(=C2)N3CC(OC(C)C3)C)=O,KZDSAHYYUIZGKH-UHFFFAOYSA-N
-FD7A1849A0EDC885_7A82E8EF15EEB99D_2875_UN,CC(C)CN3CCOC(C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)C3,IXCWINLGXQVFKF-UHFFFAOYSA-N
-rxn:1:41322:25979,O=C1CC(c2cn(CC=Cc3ccc(N4CCNCC4)cc3)nn2)CN1C(CO)CO,QDPXZQUHQKBWPB-UHFFFAOYSA-N
-rxn:1:43313:11206,CN1CCN(S(=O)(=O)c2ccc(OCc3cn(CC#Cc4cc(Cl)c(Cl)cc4[N+](=O)[O-])nn3)cc2)CC1,XDRHPBULXJOBRZ-UHFFFAOYSA-N
-rxn:1:49477:21258,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCCC5)nn4Cc4cc(C)ccc4F)nn3)CC2)c1,UFJNRKIOSYXDID-UHFFFAOYSA-N
-rxn:1:49747:25100,Cc1ccc(C2C(Cn3cc(C4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)C2(F)F)c(Br)c1,DKWPZAHWBJYLSB-UHFFFAOYSA-N
-rxn:1:51455:3337,Cc1ccc(C)c(N2CCN(C(=O)c3cn(CC4C(c5ccc(N6CCN(C)CC6)cc5)C4(F)F)nn3)CC2)c1,XOYTWVOUJGMLOG-UHFFFAOYSA-N
-rxn:1:55313:701,N#Cc1cccc(NC(=O)Cn2cc(CN3C(=O)COc4cc(F)c(N5C(=O)C6=C(CCCC6)C5=O)cc43)nn2)c1,DQBROHQHGLSTIA-UHFFFAOYSA-N
-rxn:1:59813:34891,COC(=O)c1ccc(C(=O)N2CCC(n3cc(C(C)NC(=O)c4ccc(Cl)cc4B(O)O)nn3)CC2)cc1,KPSGIMFNPJALLM-UHFFFAOYSA-N
-rxn:1:60299:6203,CCSc1ccccc1C(=O)N1CCC(n2cc(-c3cc(N4CCN(C(C)=O)CC4)ncn3)nn2)CC1,QDCHPNRCQDCPDS-UHFFFAOYSA-N
-rxn:1:61441:8005,O=C1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCN(Cc5nc6ccccc6c(=O)[nH]5)CC4)nn3)o2)CC1,KXLNNYIDOAHNCI-UHFFFAOYSA-N
-rxn:1:62972:24559,CCCC(C)n1nccc1N1CC(c2cn(CC3CC(=O)N(c4ccccc4C(C)=O)C3)nn2)CC1=O,FAMIFNIAHZKJGZ-UHFFFAOYSA-N
-rxn:1:63335:14726,COc1cc(OC)cc(N2CC(Cn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)nn3)CC2=O)c1,DVGCONGYGPSBHN-UHFFFAOYSA-N
-rxn:2:104047:162580,CCC1CCN(c2cc(C)ccc2CNC(CC)c2ccc(N3CCS(=O)(=O)CC3)nc2)CC1,LJYGSDXAPKKNEQ-UHFFFAOYSA-N
-rxn:2:111801:162580,CCC(Nc1ccc(N2CCC(C)CC2)cc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,NUSSNLRCQUEWFM-UHFFFAOYSA-N
-rxn:2:115814:155627,CC(NCC1CCN(C2CCSCC2)CC1)c1ncccc1-c1cccc(S(C)(=O)=O)c1,JHPQHRQBOTWLTQ-UHFFFAOYSA-N
-rxn:2:137948:149518,CC(Nc1ccc(N2CCN(C3CCC3)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,YLKQOVHFBCKVBW-UHFFFAOYSA-N
-rxn:2:72134:162580,CCC(Nc1ccc(N2CCN(C)CC2)c(OC)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ILEYKTMJFSCMKY-UHFFFAOYSA-N
-rxn:2:86355:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(S(=O)(=O)CC4CC4)cc3)c(C)n2)CC1,CKIWWVGROMRHNC-UHFFFAOYSA-N
-rxn:2:96732:121598,Cc1ccc(CNC(c2cccc(S(C)(=O)=O)c2)C2CC2)c(N2CCN(C3CC3)CC2)n1,PVKUYQCSISGPSK-UHFFFAOYSA-N
-rxn:2:97493:162583,CC(C)(C)c1cnc(N2CCC(CNC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)CC2)nc1,XDGXDAVPYALNJV-UHFFFAOYSA-N
-01FB076F2B8B9AD9_BC46227FC56B02A1_6038_DP,C[C@H](O)[C@@H](NC(=O)C2=CC=C(OC1=CC=CC=C1)O2)C(=O)O,SRQFEJYTXXFSOP-TVQRCGJNSA-N
-02B46D6BAA129A26_8DB0FD8639D346E3_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](CC)C(=O)O,HASFJWCOFSEEPO-LLVKDONJSA-N
-04EE4B81D6DF987C_08DA281A0FB2540D_6041_DP,CC(O)(CO)C1=CC=C(C=C1)NC2(CNC2)C3=NC=CC=C3,GHMYCQDSFYKONG-UHFFFAOYSA-N
-052CD52AEA1133A1_DA77E962C127FD60_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=C([S](C)=O)C=C3,FOLIZZDSRUNVPZ-UHFFFAOYSA-N
-0853ACEB64706E57_9AE647FA2F88F4FF_6034_DP,NC3=NN=C(NC1COC2=C1C=CC=C2)[N]3CC(C(O)=O)N,UHLKKAUBQHFSMS-UHFFFAOYSA-N
-0AF095B2F71B47FA_0B11DED78E85E422_6035_UN,O(C(CC1=CC=C(C=C1)Br)C2CC2)C3=C(C=CC(=C3)[S](=O)(=O)Cl)Cl,UEZMJCKZINLULG-UHFFFAOYSA-N
-0D5CDA46BEDC620E_83FADD63A9C6150A_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)C[C@@H](C(OC)=O)N,BJWCANNPMCODCC-ZDUSSCGKSA-N
-1278D4330779AA03_32F5B3A432A99ECC_6038_UN,OB1OCC2=C(C=CC=C12)OC(C([N]3N=NN=C3C)=CC4=CC=C(C=C4)F)=O,ZSSSBXOCSAVFQZ-UHFFFAOYSA-N
-1309C1FF42B2C743_B33EFC4C8935B176_6029_UN,N(C(CB(O)O)C(=O)O)[S](C2=NN=C(C1=CC=C(F)C=C1)O2)(=O)=O,VVMNGNWZLNNWRQ-UHFFFAOYSA-N
-1670D57F6EC9A869_741CAEC41586173C_6041_UN,OC(=O)CC1=C[NH]C2=C1C=C(N=C2)NC3CC(C)(C)OC4=C3C=CC(=C4)F,YPXBBURAGSNXBL-UHFFFAOYSA-N
-179B6231E4B58F3D_E5426009892DA4CC_6041_UN,CSC1=CC2=C(C=C1)N=CN=C2NC3CC([S](C)(=O)=O)CC3,RQLWQDGFCUXJPP-UHFFFAOYSA-N
-187C52E9BDFDD442_65B7CCCC43942A25_6028_UN,OB(O)C1=CN(N=C1)[S](C2=NN=C([N]2CC(C)=C)C3=CC=C(C=C3)Cl)(=O)=O,OPTAAHWCWWIACZ-UHFFFAOYSA-N
-1910C7EF94493A6A_AA7733E682B982AC_6038_UN,N(C1=CC(=C(C=C1)I)F)C(C2=N[NH]C(=C2)C3(C)CC3)=O,VJLGMMBJLFUWOH-UHFFFAOYSA-N
-1A93AF59CF75C97B_78487D212B843E05_6041_UN,COC2=C1N=CN=C(C1=CC=C2)NCC3C[S](CC3)(=O)=O,CUSSDKQPUGWXGX-UHFFFAOYSA-N
-1B647DD49558469B_41D1632D88F176FB_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=C([S](C)=O)C=CC=C3,MEJQTKDPBQYSSM-UHFFFAOYSA-N
-1C5A66305B7C9B12_221B6D2CCC5BFC96_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)NCC2(Br)CC2,UPTJIELUGQONBX-UHFFFAOYSA-N
-1D9337DF41F525FE_72E48F94AEFAD5D6_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)N[C@H]2C3=C(OCC2)C(=CC=C3)F,XOLMVYKBHUAKOO-LLVKDONJSA-N
-1E11853C4D7EC559_23587E255388FDBF_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=C(C(C)(C)C)N=C4)=O,FIPMNMVRUDODSR-UHFFFAOYSA-N
-1E65E69E30DDCBBC_3C99C8482B3F6171_6038_UN,COC1=C(C(=CC=C1)[N](=O)=O)NC(=O)C2=NNC(=O)CC2,VFMLLHIQOWEZRJ-UHFFFAOYSA-N
-1E9FAC7AFBF1FCB8_3DB9854D08CB7607_6038_UN,N(C2=CC1=NC=N[N]1C=C2)C(C(NO)CC3=CC=CC=C3)=O,XSVJKIRSRYEIAQ-UHFFFAOYSA-N
-1FA9F6C1919658B3_BF992D9EB3B52BD8_6041_UN,CC1=C(N=C(N=C1)NCC2=CC3=C(C=C2)OCC3)[S](=O)(=O)C,QRVACIPHQMLJAP-UHFFFAOYSA-N
-20ECE80CB9E267BD_D450C4B3EA94B269_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC#CC)C(=O)O,PUPPDQQUNHEXMD-UHFFFAOYSA-N
-213F41E9548473AA_7B34371DCF1B66F7_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CN=C(S3)C4=CC=CC=C4,YTPIUGOFRVPVER-UHFFFAOYSA-N
-2159BC28D69437C9_97C77C20BD0AF4A8_6028_UN,F[C](=[C]1CC[N](CC1)[S](C2=C(OC)C=CC(=C2)Br)(=O)=O)F,UUNRGWIXHNZALO-UHFFFAOYSA-N
-21FBBC2B09246AA3_098A62B7E1C376C8_6041_UN,OC(=O)C1=NC=C(S1)C2=CC=C(C=C2)NCC3OC(OC3)=O,PEGXXNKNTLPMPI-UHFFFAOYSA-N
-26DA636F735BAA43_7627A6DFB1AD199D_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC2=C(C=CC=C2)C3=NOC(=N3)C4CC4)[NH]5,CMRWCTYGPLDWQJ-UHFFFAOYSA-N
-26F3ADAC14698198_8CB59F2E9D558766_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)F)C(CC)=O,VCIMMQSDLODDNI-UHFFFAOYSA-N
-285388FCB71FD669_59C1074D0E9DFD87_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)CCNCC(C)(C)C)Cl,KMFRFACDHVLPJZ-UHFFFAOYSA-N
-2920D1A5561D74AA_D5183770FDF00A89_6041_UN,OC(=O)C1=CC=C(S1)C2=CC=C(S2)NCCN3C(OCC3)=O,IFFSDHBANXQXRE-UHFFFAOYSA-N
-2B0C9409D1A538D8_C1B18199A7523C75_6038_UN,N(C2=C1C=N[NH]C1=CC=C2)C(C(NO)CC3=CC=CC=C3)=O,SUJZKMBFQVJZBI-UHFFFAOYSA-N
-2C7C82C4422330C9_4E4B5039DB92B4EB_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=C(C(C)=O)C=NC4=C3C=CC=C4)=O,VVVRGLHGQSPJIV-UHFFFAOYSA-N
-2CF0DCF9E3EF6237_D726E4CBFB15CEBF_6035_UN,CC2(OC1=C([S](C)(=O)=O)C=CC=C1)CCC(F)(F)CC2,GNYWJGOHLLZUNL-UHFFFAOYSA-N
-2D69B4371EF0CDD7_6A7449979FC9CA25_6031_UN,O(C(=O)C1=C(N=C(S1)N2CCCC2)Cl)CC3=C[N](=CC=C3)=O,FBQHSSAGCLUCLT-UHFFFAOYSA-N
-2E4743BA31ED65BB_5662BAC74B6CD8BB_7019_UN,F[C](=[C]2CC[CH](C=CC1=C([S](Cl)(=O)=O)C=CC=C1)CC2)F,BXDRDEALCWDCET-UHFFFAOYSA-N
-3136F34C32E68A7D_3C26F2EED1333D9A_6035_UN,C[Si](C)(C)C#CC(OC2=C1N=CC=CC1=CC=N2)CC3=CC=CC=C3,KZMPKSWSCFGYJJ-UHFFFAOYSA-N
-33092AA3EDC6D379_8E4F0758D5979644_6026_UN,O=[N](=O)C1=CC(=C(C=C1)Cl)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,DQIZRDPNJMYTDZ-UHFFFAOYSA-N
-34140297AEC11D3F_7707127C0D80BD34_6009_UN,C1(=CCCNC1)C(CCC2=CC=CC(=C2)[S](Cl)(=O)=O)C,NFQINQBHSRXXKM-UHFFFAOYSA-N
-3705306986C0FB81_7DB1AF100BBE4D43_6041_UN,C[S](=O)(=O)C1=NC=NC(=C1)NC3C2=CC=CC(=C2OCC3)OC,QFSXJLWKPMVSOH-UHFFFAOYSA-N
-3930AE786AD40820_DBD9C1776F604D0C_6029_UN,C=C1CCN(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,URWFBUXGVJIXPN-UHFFFAOYSA-N
-393D6D2AE956AB96_88FE3C101B7335A9_6038_UN,CC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C=C2)N3CCC3)C#N,DWHHCCXDSLOGAA-UHFFFAOYSA-N
-3A084B9892C01CC4_8F1FE50399DCA096_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CC=CC(=C4)C(C)(C)C)=O,PZVITGCECMKGDM-UHFFFAOYSA-N
-3A858C9E3392D734_587CAAE1E3F9BC5D_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=C(C[S](C)(=O)=O)C=C3,ITOBVDPEXSPUMS-UHFFFAOYSA-N
-3CABDCFA12B9AB3D_8058075C385E49B1_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC3CC(C3)=C4CCC4,MTLXIELHGIHPTQ-UHFFFAOYSA-N
-3D71307B978DF638_7D573219FB9E135A_7019_UN,C(C2CCC1=C(C=CC=C1)CC2)=CC3=C([S](Cl)(=O)=O)SC=C3,LIAZAWFGEPEGRT-UHFFFAOYSA-N
-3F5CD44BEA26C960_062D90915CFFF037_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4(C3=CC=C(C(C)(C)C)C=C3)CC4,DDAWIYXIFYTFSD-UHFFFAOYSA-N
-3FA34012B1C04E78_0F5921F8FCA2402E_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=CC=C([S](C(C)C)(=O)=O)C=C4,WABVAZVBPVPXGJ-UHFFFAOYSA-N
-40B0C27B27B28929_ADBAAB20074F6EB4_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4)[NH]5,MTZCLIGCVHCAIB-UHFFFAOYSA-N
-41BB7EBDF44644E4_F4102BB47BA7EB62_6041_UN,CC(C)OC1=CN=C(C=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,WCKDVNKRUSNRHM-HNNXBMFYSA-N
-438DDD72BD2BDE22_7B939DE8ADB60881_6038_UN,O(CC1=CC=C(C=C1)B(O)O)C(C3=C(N(C)C2=NN=N[N]2C3)C)=O,IPQNGXGAEFQDRP-UHFFFAOYSA-N
-44B9AE4D4EB1A69C_B881DD721FE7400E_6026_UN,FC1(F)CC1C2=CC=C(C=C2)[S](=O)(=O)N[CH]3CC[C](=[CH]F)CC3,LZUAGMLNMNPOEW-UHFFFAOYSA-N
-4642E7E0C9A41821_30C0EBA968DB82EF_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=C(Cl)C=C3OCCC3=C4)(=O)=O)C,PCWFFGDDPFNOFG-UHFFFAOYSA-N
-468A9DA2A6727DAD_738FAD5F016A28BF_6038_UN,NC(=O)C1=C(C=CC=C1)NC(=O)C2=CN=C(C=C2)N3CCCC3,GRKMKISSWXTFIR-UHFFFAOYSA-N
-474381D43A0C1CCD_B63C2081FA5F57C5_6038_UN,N(C1=CC(=C(C=C1)Cl)Br)C(C2=N[NH]C(=C2)C3(C)CC3)=O,OQXVEDVBRVDMIK-UHFFFAOYSA-N
-48E93612A0C89127_671347E03598924B_6034_DP,CC1=CC=C(C=C1)CNC3=C2[N](C=NC2=NC=N3)CC(C(OC)=O)CNC,ZZQWTOZUQQTRBY-UHFFFAOYSA-N
-495F77F09A73454E_AE5AAB6DB60F7508_6041_UN,C[S](=O)(=O)C1=NC(=NC=C1)N[C@@H]2C3=C(OCC2)C=CC=C3,RGTUBLPBGSAWEV-NSHDSACASA-N
-4A9490844101F145_610C48AEE41D4456_6038_UN,N(C2=C1C=CC=NC1=CC=C2)C(=O)[C@@H]3C[C@@H]3C4=N[NH]C=N4,AVHRNIGRPQWTCY-WDEREUQCSA-N
-4B8F7E9EA895BA63_31AF608262AB294A_6038_UN,N(C2=C1C=CC=CC1=NC=C2C#N)C(C(SC)C(C)C)=O,IOIIHEMEWRFXKK-UHFFFAOYSA-N
-4D5510D278E69CD3_6AB1C174EB3F4C5B_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NCC4=CC=C(C2=CC3=C(C=C2)OC(C)C3)C=C4,MIIISDIQDGEPSH-UHFFFAOYSA-N
-4F0C54D0FBEB7460_673F5A25770E096D_6006_UN,OC1CN(C1)C2=NC(=CN=C2)C3=CC=C([Si](C)(C)C)C=C3,YAPFGTJPBMFTPR-UHFFFAOYSA-N
-4F379C7EC4DBB7BB_0010938AA65BB8AE_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC3=CC=C(C[S](C)(=O)=O)C=C3)C,HLEURNYXOZOVBW-UHFFFAOYSA-N
-4F8BB212158F22D5_6D503ED9014004CC_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C[S](C)(=O)=O,SDBVJTATOFGZPQ-UHFFFAOYSA-N
-51BE897F613E1018_4C077B8C7A314343_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=C([S](C)=O)C=CC=C3C,YXJOATLNPXLQLB-UHFFFAOYSA-N
-52571C54483C7345_15F031ACE716B8A4_6029_UN,N(CC1(O)CCC2=C1C=CC(=C2)F)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,FMYVVANFBPAKLO-UHFFFAOYSA-N
-54AC313E8E06A143_03588752455107DF_7005_UN,N2=C(C1ON=C(C(C)C)C1)[NH]C3=CC(=CC=C23)C4=CC=CS4,UPJZQFNMVXGCLK-UHFFFAOYSA-N
-5593E12D0F0BC21B_D2217350D38109D9_6029_UN,IC1=N[N](C2=C1C=CC=C2)[S](C4=CN=C(OC3CCN(C)CC3)N=C4)(=O)=O,GGNWMGURXSWYTM-UHFFFAOYSA-N
-5680963AAD0B2E0D_F726F50F0BE1C7DC_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC3=C([S](C)(=O)=O)C=CC=C3,UETOILGJKJXVBU-UHFFFAOYSA-N
-56FB0E75FE5A9387_17D42B40D3B119A1_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C3=N[NH]C(=C3)CC)=O,RCUZYWWBEDSXAS-UHFFFAOYSA-N
-5810C8F34A1CAC5F_1496E6ED62FF152F_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)Cl)C2=C(C=CC(=C2)Cl)F,XUFIGABHHGOHIB-QMMMGPOBSA-N
-5BB030274F17939D_D1D6056FE99E6478_6041_UN,OC(=O)C1=NC(=NC=C1)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3,COMZSWFWJWSUIO-JTQLQIEISA-N
-606426615C670F8F_2CE3883CE640D150_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCCC4)F,BKBYNIOPQJFLIY-UHFFFAOYSA-N
-636837F0F35BD527_1D643710EE6D7EBE_6041_UN,OC(=O)CC2=C(C=C1OCCOC1=C2)NC(C)CC4=NC3=C(C=CC=C3)S4,VZKTUIFATHDOPD-UHFFFAOYSA-N
-63858F689C753E0F_9484D8C2AF86FD10_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3=CC=C(C=C3)C4(F)COC4,HLHKSDMPISDMKH-UHFFFAOYSA-N
-6406BDBA68AAE445_4E9F22B26D1CE1A5_6026_UN,CC(C)C1=CC=C(C=C1)[S](=O)(=O)NC(C)(C2CC2)C3CC3,JRLWGXVEEOHQIA-UHFFFAOYSA-N
-65090F7308B2BBDF_FE2F1501BCD842C6_6038_UN,CN(C)C1=NN=C(O1)C2=CC=C(C=C2)NC(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,OLRXHESJWRMWSX-UHFFFAOYSA-N
-65E65FA11C1434B5_B0DD61ED8ADE8A88_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)Cl)C2=C(C=CC(=C2)F)Cl,YFQXDGQLMBAXBB-QMMMGPOBSA-N
-661ADE94A5E28EDA_AE4411268663D236_6031_UN,COC1=C(C=CC=C1)C(=CC(=O)OCCN2C(=O)CNC2=O)C,VMRJERUBRTUWDD-UHFFFAOYSA-N
-67DFF3DA26BE4591_704976D1100362E2_6029_UN,FC(=C1CCN(CC1)[S](C2=C([P](C)(=O)C)C=CC=C2)(=O)=O)F,LZLKLKXJLHZAAA-UHFFFAOYSA-N
-686550D097CBC2C3_CD62D99A3AEA4B97_6038_UN,N(C1=CC(=C(C=C1)[N]2C=CN=C2)F)C(C4=CN=C(N3CCC(C)CC3)C=C4)=O,VHWONRGBWLPWNF-UHFFFAOYSA-N
-68892C1E44ABFAD8_02DEF80A643E3618_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=C([S](C)(=O)=O)C=C4,UURVYNDKTKUOJD-UHFFFAOYSA-N
-69AF14A39BC6A73D_B0C88319018011D2_6038_UN,CC(NC(=O)C1CC(=NO1)C2=CC=NC=C2)CN3C(OCC3)=O,WKOSBZTWSPJGGT-UHFFFAOYSA-N
-6BB309314E16C44B_AFAF6F50028D67AD_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(N2CCCN(C(C)=O)CC2)C=CC(=C3)F)[NH]4,KHTHVTQQSGMKNT-UHFFFAOYSA-N
-6D0763B42014675C_AF6508CA20460738_6038_UN,CC(C)C1=CC(=C(C=C1)OC(C(CC)SC2=NC(=N[NH]2)N)=O)B(O)O,BUEYOQRMXWESOS-UHFFFAOYSA-N
-6F6BDDE189A59854_C9B9FB4BF6264009_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC=CC(=C3)C[S](C)(=O)=O,ZQXIKORHUARVDT-UHFFFAOYSA-N
-70C74E7C2A3730B6_10C56394A77500BC_6038_UN,CC(NC(=O)C1N=CC2=C(C1)C3=C([NH]2)C=CC=C3)CN4C(OCC4)=O,INFGAJZWGGVILV-UHFFFAOYSA-N
-7202656E8899ACBC_DC0FC57B72156902_6038_UN,N(C1=CC(=C(C=C1)Br)Br)C(C2=N[NH]C(=C2)C3(C)CC3)=O,IUKUXCYPAPCVAO-UHFFFAOYSA-N
-74D76639883B8AFD_289D589CA8DBEFE0_6035_UN,COC[C@H](OC2=CC=C(C1=NC=N[N]1C)C=C2)C[N]3C=CN=C3[N](=O)=O,ZXBOHOXVSUQJFW-CQSZACIVSA-N
-762C4E333ABD6FE7_4C280B3B2DE585F8_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl)C,QWNRTGZVYKZHKE-UHFFFAOYSA-N
-7A2AA2DE8A76BCED_649E48643B75D096_6038_UN,CC(NC(C(CC)C1=CC2=C(C=C1)OCO2)=O)CN3C(OCC3)=O,DRRXEASUGGCYIR-UHFFFAOYSA-N
-7B37AEC1A159DAA4_01C5C66C50E9B62B_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)N[C@@H]3C[C@@H]([S](C)(=O)=O)C3,SNVNNXFLSSTRPT-XYPYZODXSA-N
-7B755B15615BC172_30651489D8DF7783_6028_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(C(OCC)=O)C=N[NH]3)(=O)=O,IAMIJORXDVTJDF-UHFFFAOYSA-N
-7C235D19E4359EB1_0C15DF0BCBC31BD1_6038_DP,CC(C)[N]1N=NN=C1C2=CC(=CC=C2)NC(C4=NOC3(CNC3)C4)=O,QWXGKXQYUOMYQS-UHFFFAOYSA-N
-7E51D2A2D22FDEA4_985BF4A74444C195_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=C(C=C2)F)C(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,BQGMABHZEYLIBX-UHFFFAOYSA-N
-82521D79B2F0258E_06C29EF24AF5F410_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)C(C3=CC=C(C(C)(C)C)C=C3)=O,XFRPNVUNDDODJD-HUUCEWRRSA-N
-82C3F5AA12D1B39A_D2694A8793B28308_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=C(C[S](C)=O)C=C3,HJCQLSXIFKRSRL-UHFFFAOYSA-N
-8319631EA789620A_809CF1D89BF3EDD1_6003_UN,O(C1=CC(=CC=C1)C2CC2)C3=CC=C(C(F)(F)F)C=C3[S](=O)(=O)Cl,SJPNYUOIIWCVAM-UHFFFAOYSA-N
-833835903F9DDFB5_83BE9503F79F0EE1_6038_UN,N(C1=CC(=C(C=C1)F)F)C(C2=N[NH]C(=C2)C3(C)CC3)=O,CENOAMDPRHSUEN-UHFFFAOYSA-N
-83E5044DAA5F4C5E_E116D130A7A78737_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCC2)F)C(=O)C3=NNC(C=C3)=O,ZHMFSESHTHTVJN-UHFFFAOYSA-N
-854906CA60C16D0B_1053A2481FA68033_6038_UN,N(C1=CC(=C(C=C1)Br)I)C(C2=N[NH]C(=C2)C3(C)CC3)=O,GKFMBJQAHYTFJE-UHFFFAOYSA-N
-863B51BB03B63336_FD04F26775ABF8A9_6028_UN,C2N=C1C=CN(C=C1C2)[S](C3=NC(=NO3)C4=CC=CC(=C4)OC)(=O)=O,IOSKJMWTHUOSTH-UHFFFAOYSA-N
-871D7488455D9506_17532F453DD6F468_7019_UN,F[C](=[C]2CC[CH](C=CC1=C([S](F)(=O)=O)C=CC=C1)CC2)F,IYIYMGIEOIKRJS-UHFFFAOYSA-N
-8820E944748E4C4F_97A48D43B450761B_6004_DP,NCC[N]1C=C(N=N1)C2=CC=CC(=C2F)C(N(C)C)=O,SACQYNDUUAOEES-UHFFFAOYSA-N
-88DC20537D375001_A0397BB7926DC424_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC(C(OC)=O)(C)N,HCPQLUWIFPFWPG-UHFFFAOYSA-N
-899B730D4C8F0746_1F96C551459F6DCC_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)NCCC3(C)N=N3,MRVBEAIZTPPMOA-UHFFFAOYSA-N
-8A8E92F53DCCD335_FACBBB71A2F17614_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3C(C3(C)C)(C)C,VFRPJDYUSFLMMF-UHFFFAOYSA-N
-8B8FD5722D4F9585_B4F67B978B8A287E_6034_UN,CC1=C(N(C=N1)CC(C(C2=NC=C[N]2C)N)(C)C)C#N,OSOOVFNSFSCSFA-UHFFFAOYSA-N
-8BAA7582025A9116_760557B639229C3F_6038_DP,N(CC(=O)C1=CC=CO1)C(C2=COC(=C2)C=CC(O)=O)=O,KKOKCUYLRVTQRM-UHFFFAOYSA-N
-8BCE65A8E498B380_ABD9AB5F18F763CA_6029_UN,N(CCC1CC1)[S](C2=C(C=C(CC(C)O)C=C2)F)(=O)=O,FCOYAXNJIMZAEL-UHFFFAOYSA-N
-8CBB9CCC648CCE4C_E8E0F7855C28762A_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2NCC3([S](CC)(=O)=O)CC3,NIBVDHMLEKSEIW-UHFFFAOYSA-N
-8DE35AA4B752B549_117758958A3A17F9_6035_UN,CC(=O)C3(OC2=CC=C(C1=N[NH]C(=N1)N)C=C2)CCOC3=O,JCHGEVPTGIDENC-UHFFFAOYSA-N
-8EB755930AFE686A_F22AA77FBBEA8D41_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,UMUOPGJGBUQZLN-UHFFFAOYSA-N
-90E6CF61D82C6C99_DCE7C84EC10D85BC_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C(OC)(C)C2CC2)C,VLRSTZZGAWUXQB-UHFFFAOYSA-N
-93AD993A919121CD_D8B771E866E02F95_6038_UN,COC(=O)CC(CNC(C=C([P](CC)(=O)O)C)=O)C(C)C,VXYWFIGJDFNGAB-UHFFFAOYSA-N
-940A2C82CB9F702D_11F782686DDBB50B_6026_UN,O=[N](=O)C1=CC(=C(C=C1)F)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,ZXFYLJPKHXKNIO-UHFFFAOYSA-N
-94EA4E02E988A9FC_AC5B7CF333034DD9_6038_UN,CC1=N[NH]C=C1NC(=O)C2=CC(=CC=C2)N3CCOCC3=O,CHHYSCVZMBIXQQ-UHFFFAOYSA-N
-98E2CC20B28283DB_1660BD495585E706_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3CC([S](C)(=O)=O)CC3)C,BDOCCWLJLVSPHF-UHFFFAOYSA-N
-990ACCF1FAAA8FE8_E8CFD1251C35E2E6_6041_UN,C2(=C1C=CC=CC1=NC=N2)NCC3([S](CC)(=O)=O)CC3,JJAXFPFLKSMSDY-UHFFFAOYSA-N
-996C7FFF41E55531_C5C6B955950BECED_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)Cl)C2=C(C=CC(=C2)F)F,HKTNTWCZZAGJBC-QMMMGPOBSA-N
-9A4B2EB4135AFDC9_257FE6DD8A8D5D63_6041_UN,CC(=CC(=O)O)C1=C(C=CC=C1)NC[C@@H]2OC(OC2)=O,LWRIANMDQALDCN-JTQLQIEISA-N
-9ADD539E9001585F_45E9C86547C6B336_6038_UN,CC(C)[N]1N=NN=C1C2=C(C=C(C=C2)NC(C4=C(N(C)C3=NN=N[N]3C4)C)=O)F,CDSINHZAQREGTK-UHFFFAOYSA-N
-9AF8726273F2984F_47AF5B55BDCA7A1E_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2)C,ZAYAFUDGEYKQKQ-UHFFFAOYSA-N
-9B64DB92AC91F5E8_382191B05DBC4214_6041_UN,FC1=CC2=C(C=C1)N=CN=C2NCC3C[S](CC3)(=O)=O,IYDGRKRFUCXZSU-UHFFFAOYSA-N
-9BC9EF4D9D009C48_5FEDCC1F7A9F147B_6038_UN,CC(C)(C)[N]1N=NC(=N1)COC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,WXZWXBXAPSZEBL-UHFFFAOYSA-N
-9C58CAAD7F39C759_3F895D76EC65817C_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=CC=CC(=C2)CBr)(=O)=O,DKQGXTVAPDVVJL-UHFFFAOYSA-N
-9D40A3B768407423_37A4E484095A9CBC_6035_UN,O(C(CC1=CC=C(C=C1)Br)C2CC2)C3=C(C=CC(=C3)[S](=O)(=O)Cl)Br,QPTQSAKPERWSNY-UHFFFAOYSA-N
-9D57B890183535CD_1C7470E4DFAE5F56_7019_UN,C(CCN1C(=O)CNC1=O)=CC2=CC(=C(OC)C=C2)[N](=O)=O,RMQQVUYBGOKXEI-UHFFFAOYSA-N
-9F37677B7FEF0145_6530AED1C564CD71_6029_UN,N(C1=C(CCC1)C#N)[S](C3=CC=C(OC2=NC=C(Cl)C=C2)C=C3)(=O)=O,MWAFFLDWLNUAHN-UHFFFAOYSA-N
-A016A348CCA5EFA1_0270FD45AD4DE992_6038_UN,O([C@@H]1COC(=O)C1)C(=O)C2=CC=C(C=C2)C3=CC(=O)NS3,KGXQWSZUIZPHDO-JTQLQIEISA-N
-A1273F86D8C54F82_02EB1C02CD735152_6038_UN,COC1=CC(=CC=C1)C(CNC(C2=NC(=NC3=C2C=C[NH]3)C)=O)N(C)C,HWUYFYWOTFFGJI-UHFFFAOYSA-N
-A1EFAE37DE1DF685_F49B30B535268A80_6026_UN,O=[N](=O)C1=CC(=C(C=C1)Br)[S](=O)(=O)N3CCN(C2=NN=C(C)C=C2)CCC3,MYABFLBLEJKHLA-UHFFFAOYSA-N
-A335B1AD2D2AEF3A_55C094912ED176A4_6041_UN,C2(=C(N=C1C=CC=CC1=C2)C#N)NC(C)CCC=C(C)C,KLIKZJXKVUJZOT-UHFFFAOYSA-N
-A3A8469C445FEA78_E4BAEE1661A3C653_6038_DP,N(C1=CC2=C(C=C1)C(=O)NC2=O)C(C(C)=C3CNC3)=O,CQUHOTUBFFZHNV-UHFFFAOYSA-N
-A3EE2CC7F9A52236_A53AF8B25F604378_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)F)C2=C(C=CC(=C2)Cl)F,WRVKDXXLZDOHIL-QMMMGPOBSA-N
-A6227A1AE4B9723A_83F6B785BCA69B65_6038_DP,N(CCC1=N[NH]C=C1)C(C(NC)CC2=C[NH]C3=C2C=CC=C3)=O,QSGWJQKMPWLJOP-UHFFFAOYSA-N
-A6AD27B20C255419_375318ADE5C1D45C_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CC)CC(=O)O,SXDHFEWHPFRSNV-JTQLQIEISA-N
-A71DFE965F21078D_019567B41DA388B1_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2CCN(C2)C3=CC=C(C=C3)F)[NH]4,VZWAFNBMHWDHJD-UHFFFAOYSA-N
-A9F1A8B4EF611DC9_DC6295A4B0AB021F_6041_UN,OC(=O)CC2=C1N=CC=CC1=C(C=C2)NC[C@H](O)CO,WUJZZACPGFQBEV-JTQLQIEISA-N
-ADE1BF095CFD9CDF_5121D0CB3FE2DB36_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NCC4OCC[S](C4)(=O)=O,UWZLIBNYQXJYCB-UHFFFAOYSA-N
-AE2976FD7DE3D116_01717FB2B741DCDF_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)F)C2=C(C=CC(=C2)F)Cl,RZJHDEQRVXMABG-QMMMGPOBSA-N
-AE7163C23E88CA9E_0C7D57602471AAF8_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(=O)C2=C([NH]N=N2)C3CC3,ABTQVENWXFNIIF-UHFFFAOYSA-N
-AF1009DECE8E7C26_4C69DBC5639E8EB4_6041_UN,C1(=NC2=C(C=N1)C=C[NH]2)NCC3=CC=C(C[S](C)(=O)=O)C=C3,LTZOSFPQGMFLDL-UHFFFAOYSA-N
-B03549AAF58C687E_7390C8F4A81886D7_6038_UN,CCOC(=O)C(NC(C=C[P](CC)(=O)O)=O)CN(C)C,YMVYFPIQKFMLEZ-UHFFFAOYSA-N
-B1FDD24C41AA9853_D31F05EE7FB7CF68_6039_UN,C[Si](C)(C)C#CC(OCC2=C[N]1C=CC=NC1=N2)CC3=CC=CC=C3,KVZSCUMRXAADJF-UHFFFAOYSA-N
-B80F093ED8506433_908F93BB5A564D03_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NCC2=NC3=C([N]2C)C=CC=C3,JTOIEHLZBFITEM-UHFFFAOYSA-N
-B816794E2EF3EFE9_534B5ECB0FDE4EA4_6041_UN,C1(=NC(=CC=C1)C2=NC=CC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C,DAXVCGMJUQRPNO-UHFFFAOYSA-N
-B83FCA754BE77A93_54051F3EB7788266_6029_UN,CC1ON=C(C1)C2CN(C2)[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,KOTOTISDZKBDIV-UHFFFAOYSA-N
-B9C38451A9DCA911_0BA18A243D1ABB6D_6029_DP,N#CC1=C(C=CC=C1)N2CCN(CCC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,FQBOQWXRKAKXJA-UHFFFAOYSA-N
-BACF21539CF951B9_86B7304AF52527DF_6038_UN,NC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CN3CC[S](=O)(=O)N=C23)F,NNMIOYHCGGBHBR-UHFFFAOYSA-N
-BC15C51A62646D2F_B6860F9C5385FDD2_6038_UN,N(C1=CC(=CC=C1)N2CCCCC2=O)C(C3=C(C(C)=O)C=NC4=C3C=CC=C4)=O,GOMVXTNXOSTTQQ-UHFFFAOYSA-N
-BD795B51502DF253_E02BA99801564B0D_2875_DP,CC(=O)C1=CC=C(C=C1)C[N]2N=NC(=C2)C3(CNC3)C,DBNXTWXXBBUBCJ-UHFFFAOYSA-N
-BDE851F53799544F_D5EA4B37F5841071_6029_UN,N(CCC1=C(C=CC(=C1)Cl)Cl)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,QJCCMGPUKLTANJ-UHFFFAOYSA-N
-BE9F0672B2B75945_02C40A48416FF5E9_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NC3C(N(CC)CC3)=O,AQKZHITZLWKMBO-UHFFFAOYSA-N
-BF650E8AD8E834CB_D221547C06605E54_6038_UN,N(C1=CC(=C(C=C1)F)Cl)C(C2=N[NH]C(=C2)C3(C)CC3)=O,DNAIMTZNRZNOGT-UHFFFAOYSA-N
-BF9CFB3BD34636AD_B419675DF49796DC_6031_UN,NC(CB(O)O)C(=O)OCC1=CN=C(C(C)(C)C)N=C1,QCRVUWNUIZDTAL-UHFFFAOYSA-N
-C17788C59AD6A966_4E71CC4260B558B6_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC(=C(C=C3)F)C(CCC)=O,JLRLRMFYPYOBOZ-UHFFFAOYSA-N
-C42649E270DCD4AC_F72814D013AB14DA_6026_UN,CCC(C)(C)C1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(CC2)F)C3,UAXDDXQEKMXWKF-UHFFFAOYSA-N
-C7388966C30EBAAA_06C41E2FC1383F99_6038_UN,CC2=N[N]1C=CC=C(C1=N2)NC(C4=CC3=C(OC(C)(C)O3)C=C4)=O,GZNQLQZRQMOBOI-UHFFFAOYSA-N
-C8EAB286C07FCBE8_B77B35D551B37E79_6038_UN,CC(NC(=O)C1N=CC2=C(C1)C3=C([NH]2)C=CC=C3)CCN4C(OCC4)=O,OFVSHBKAHZVEPY-UHFFFAOYSA-N
-C9F2F8606A2F48D5_312515E90F7490DC_6038_UN,N(C1=CC(=C(C=C1)F)Br)C(C2=N[NH]C(=C2)C3(C)CC3)=O,CHMPUWLXMKYOBQ-UHFFFAOYSA-N
-CAEBA37E2640D1EB_8460B71D1E32FFD6_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@@H](CC(C)(C)C)C(=O)O,OXJUBBZZSFXXLS-LBPRGKRZSA-N
-CC3E36D5FFF3CA6B_055DDBE1671CFF09_6038_UN,N(C1=C2C(=NC=C1)C=CC=C2)C(=O)[C@@H]3C[C@@H]3C4=N[NH]C=N4,AMJZGPRWTMHLPX-WDEREUQCSA-N
-CD8C013EA031C422_A97D2181D7643513_6038_UN,CC(NC(C=C(C1=C(OC)C=CC=C1)C)=O)CN2C(OCC2)=O,FRENEWWLUXXCEI-UHFFFAOYSA-N
-CDD79EC4FAD61F2C_EA9809D097D31C73_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(C=C3)F)C(CCC)=O,GVAILEQJKCBLAI-UHFFFAOYSA-N
-CE0964D7816195B1_696E5D5042B58B1F_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC3=CC=C([S](C)(=O)=O)C=C3,SOAXIDLZHAZUPS-UHFFFAOYSA-N
-CE6C0ABAAABC7CF1_8287E221784BE6B9_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=C(C)C=C4)=O,ZLUYBQJAIVFUMO-UHFFFAOYSA-N
-D069C3881BE896BE_A877105710D22755_6038_UN,OB(O)C1=C(C=CC=C1)OC(C3=C(C)N(C)C2=NC=N[N]2C3C)=O,WKWKOKFNWCURQV-UHFFFAOYSA-N
-D0EC8E988114F690_43876603C16AE8A7_6034_UN,CC(C)NC2=C1N=CN(C1=NC=N2)CC(C3=CC=CC(=C3)C(OC)=O)(C)N,XAPCRZICLRIVLJ-UHFFFAOYSA-N
-D79DF07E7658C610_6F30E6DF91562486_6029_UN,CC(C)C1CN(C)CCN1[S](C3=C(CBr)C=C2OCOC2=C3)(=O)=O,KCMPQNNLYJYTTH-UHFFFAOYSA-N
-D82F0181A9B7C9C4_5581AD19343CEE34_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC=CC(=C4)C(C(C)C)=O,HDSFJPFLAYYKSC-UHFFFAOYSA-N
-D968CEF269AFCA4A_5423A148B61B3E53_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC4=NC3=C(C=CC=C3)S4,UMDVQLOXTDHCFA-UHFFFAOYSA-N
-DA8755A5264C7106_2C24884B7506331E_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(OCC)C=CC(=C2)[N](=O)=O,DYEXGAXQRJCSSG-UHFFFAOYSA-N
-DAF3554EFF38CC8B_73F85EFB615406E1_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(CC2=CC=CC(=C2)C)C3CC3,GHWOKMOPAQNZON-UHFFFAOYSA-N
-DBCC3B1F235B7D45_1F9D8958CF94FA47_6038_UN,N(C1=CC(=C(C=C1)Cl)Cl)C(C2=N[NH]C(=C2)C3(C)CC3)=O,HCFDPQXIUOAMBP-UHFFFAOYSA-N
-DD5BC642A867437E_9B98324757EF4582_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Cl)C3=C(C=CC=C3Cl)[S](=O)(=O)Cl,WENWKUCDSPYIKI-UHFFFAOYSA-N
-DE2156C891FCF04C_D3BD6EA5F39D39FB_6041_UN,OB(O)C1=CC(=C(C=C1)NC(C(C)C)C2=N[NH]N=N2)[N](=O)=O,YUNQBBNLDJMRPA-UHFFFAOYSA-N
-DE8512B9A4A25239_C6BD2D093F65424E_6026_UN,CN(C)CC1=CC=C(C=C1)[S](=O)(=O)N3N(C)C2=NC(=NCC2=C3)Cl,QKPKWZRBJDDSDU-UHFFFAOYSA-N
-E3A4E05546F4201E_F094898CCF9FA0D2_6038_UN,CC(C)OC1=C(C=CC=N1)OC(C2=N[NH]C(=C2)CCCCC)=O,CSRZVPIZKJTDSZ-UHFFFAOYSA-N
-E402B72F8B4FA711_FC12D29A8CBE40FC_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=CC4=C3C=CC=C4,DSRBFBNOUPRJHO-UHFFFAOYSA-N
-E4D0F818047BCAFA_B286DDAE039D0EAA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3CCN(CC)C3,SVBWIAQXCGQKMP-UHFFFAOYSA-N
-E5FFAF5BFC7B2910_6348E534B246A36F_6041_UN,OC(=O)C1(CC1)C2=CN=C(C=C2)NC3=CC=CC4=C3OC(C)(C)CC4=O,XRAODFQOCOCXQA-UHFFFAOYSA-N
-E78B7BC26F92F163_03FC205364CF3F71_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3OC(C)C)C(OC)=O,LATKXFPEPBVPME-UHFFFAOYSA-N
-EA1C8A8A414631A9_FB8D544A84DA9684_6029_UN,N(CC1CC(O)C1)[S](C2=CC=CC(=C2)C3(O)CC3)(=O)=O,PVIKINHTEXBKJZ-UHFFFAOYSA-N
-EAD1B6A9A4332D9F_4043981B0CA22238_6038_UN,CC1=C(C=CC=C1)C(NC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)C#N,BXTWJWKSEVITOL-UHFFFAOYSA-N
-EBA9631AA88E1A95_F773A65A64F19E39_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC(C)C3=CC=C(C=C3)N4CCCCC4=O,HSXUZEMAQDJQOU-UHFFFAOYSA-N
-EECE75DAAA816645_39D245F5FEEEF3AE_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)C(C(C)(C)C)=O,DWXUUNNAHLAOAI-UHFFFAOYSA-N
-F01CD90604CFE588_7384D302AC74B4A7_6038_UN,N(C1CC(N(C1)O)=O)C(C([N]2N=NN=C2C)=CC3=CC=C(C=C3)F)=O,FTENVDIWUKIAJE-UHFFFAOYSA-N
-F053B974C6D99506_43B4026644B8F360_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@]3(C(OC)=O)C[C@@H](C3)C(=O)O,BFKZNMVWRLYDMJ-RSVKCKOMSA-N
-F21BED20E0E810EC_0739DDECAB15531F_6038_UN,N(C1=C(C(=CC=C1)Cl)Cl)C(C2=N[NH]C(=C2)C3(C)CC3)=O,ZYLIPHIMXJXYCU-UHFFFAOYSA-N
-F26EC2DD9696EE07_2981ED745383A293_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NCC3(C[S](C)(=O)=O)CC3,JDBDNBHVJRZFGQ-UHFFFAOYSA-N
-F4249F45ED4C670E_A96942DF7862976D_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NC3CC([S](C)(=O)=O)CC3,YIZANDPYTVFXKD-UHFFFAOYSA-N
-F63388A96ED7779C_4D2135E2005B94D6_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=C(C=C(C(C)=O)C=C2)F)=O,HYYHKRIBODESDB-LLVKDONJSA-N
-F7096D0EDCBDF7B8_CC078AE23A1D5CC6_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)F)C2=C(C=CC(=C2)Cl)Cl,UXGFTIXZEBOWQA-QMMMGPOBSA-N
-F71DD0C5884E7A4B_409119AE2040397C_6038_UN,CC(C)C2=NN=C(CNC(C1(C(N(C)C)=O)CC1)=O)[NH]2,GFASFEHFPTWDSD-UHFFFAOYSA-N
-F7593FD461900848_30646F0A459E5CCF_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(CC)(C)C(=O)O,LMSGKFYBDQXPRZ-UHFFFAOYSA-N
-F786A764C2E6CA75_84A5211338F9D6BE_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)NC2(CC)CCCC2,YPFYQJBAVYYSMY-UHFFFAOYSA-N
-F8C70F83ADEA0C28_1CA9D9B45E2BD7EA_6029_UN,OC1(CN(CCC1)[S](C2=CC3=C(C=C2)OCCCO3)(=O)=O)C4=CC=C(C=C4)Cl,VKPXFGKOHOSDCY-UHFFFAOYSA-N
-F923A0C3CCC230E8_ACD19EEE68CC817D_6028_UN,OB(O)C1=CC2=C(C=C1)C=NN2[S](C3=NC(=NO3)C(C)C)(=O)=O,ARTYXGKYAAIUJS-UHFFFAOYSA-N
-F93B39763D50D1EA_84D0997F4AB26760_6041_UN,C2(=C1C=CC=CC1=NC=N2)NC3CC([S](C)(=O)=O)CC3,ZVKUEHYEVZQOMS-UHFFFAOYSA-N
-F96546C757D81037_7077D22F23020977_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCCC(OC)C(=O)O,QQPITTWLBUUXMA-UHFFFAOYSA-N
-FD554AAAC558B711_1154FF583F7DD6BE_6041_UN,OC(=O)C1=NC3=C(C(=C1)NCC2([S](C)=O)CC2)C=CC=C3,MQHMAXJPNIWONP-UHFFFAOYSA-N
-FD78ABF931992CCE_9FBF1AFE734D8582_6038_UN,N(C1=CC(=CC=C1)C3=C[N]2C=CC=NC2=N3)C(C4N(C)CSC4)=O,HXUSCQWVPGEIKI-UHFFFAOYSA-N
-rxn:1:59655:34891,CC(C)Oc1ccc(C(=O)N2CCC(n3cc(C(C)NC(=O)c4ccc(Cl)cc4B(O)O)nn3)CC2)cc1,SCHXXEFOHHDTKB-UHFFFAOYSA-N
-rxn:1:64317:33119,Cc1cc(C(=O)NCC(C)(C)C)ccc1-c1cn(CC2CC(=O)N(c3ncc(Br)cc3C(=O)O)C2)nn1,CMZNBQGRZNKNGC-UHFFFAOYSA-N
-057B0F231D7E2774_F7B1A58A794DE336_6027_UN,N(CC1=CC=C(C=C1)C2CCCCC2)[S](C3=C(CC)C=CC=C3)(=O)=O,GFQOEHWATHRWDP-UHFFFAOYSA-N
-083E00FE10B69916_B341ABEB8254EC29_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](CF)C(=O)O,RBLVVBUXXRSOIB-SECBINFHSA-N
-0860EDC84550323A_886D335DEDF5C2C8_6029_UN,N(CC[C@@H]1C[C@H]1C2CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,WVSPCCKUVZJCPH-ZBFHGGJFSA-N
-0F045D838C0C83D1_34D456A207A629D2_6038_UN,O([C@@H]1COC(=O)C1)C(C2(CC2(C)C)C3=CC=CC=C3)=O,AYSCGLGPNZSWRQ-HKALDPMFSA-N
-10DDDF9C30A48822_5E3AC606203AB1F8_6041_UN,CN1N=CCC2=C1N=CN=C2NC3=CC(=C(N(C)C)C=C3)F,XVKYOIDOEACLGX-UHFFFAOYSA-N
-10E914F8D036450F_EEDF845D763800A4_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=C(CCC)C=CC=C3)(=O)=O,ABETUVAWGZJZRT-UHFFFAOYSA-N
-130F13A5179CF3EE_22F0269774AD649E_6027_UN,N([CH]1CC[C](=[CH]F)CC1)[S](C2=CC=CC(=C2)CC)(=O)=O,KBVFASSDDCZWDZ-UHFFFAOYSA-N
-1430AE866A34CA2C_BBABDF4243A25A85_6029_UN,CC2=CCC(N[S](C1=CC=C(CCF)C=C1)(=O)=O)CC2,SIZZEGQZIJQTBY-UHFFFAOYSA-N
-150C0E7B641BF30C_60CD84329D45F153_6041_UN,CN(C)C1=NC=NC(=C1)NC2CCSC3=C2C=CC=C3F,CHQMCFQFKSJMFR-UHFFFAOYSA-N
-1513377A6507CBBC_0F49532CC738096F_6029_UN,CC1=C(C=CC=C1)C4(CN[S](C2=C(C=CC=C2)C3CC3)(=O)=O)CCOCC4,OLPJZXULWVIXOG-UHFFFAOYSA-N
-17DAEC1AE75FDCEE_0858901B7450793E_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=C(C=C3)O)C)(=O)=O,CGVQUTYMXNEJQF-UHFFFAOYSA-N
-17EE4D0F71DD2893_25EA87E80DACA5BF_6041_UN,CN(C)C1=C(C(=CC=C1)NCCC2=NN=C3C(N(C)CC[N]23)=O)[N](=O)=O,AXXCMSNVXRBGPL-UHFFFAOYSA-N
-17F0FF2914E6A8B2_5C31B9C706D017A5_6029_UN,N(CC(C1CC1)C2CC2)[S](C3=C(CCC)C=CC=C3)(=O)=O,ZVEVVCCEIZMMLJ-UHFFFAOYSA-N
-18CBC0FD0402D4C6_BBECB24C727CF0BC_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NC3=C(N2CCN(CC)CC2)C=CC=C3,XQHQFCMFEBKSOY-UHFFFAOYSA-N
-1966D2A9C9E7B8FC_C840A2FEC5ED1DDC_6041_UN,FC1=C(C(=CC=C1)NC3=C(C(C)=O)C=C2OCOC2=C3)C4CC(=O)OC4=O,ZOGXUGHWGYHQOP-UHFFFAOYSA-N
-1C814FB518FB3396_659599CB757D6AA5_6041_UN,CC(C)C1=N[NH]C2=C1C(=CC=N2)NC3=CC(=C(N(C)C)C=C3C#N)C,GHLRTYJWMQOIHN-UHFFFAOYSA-N
-1CFC9F1DEF3A991D_F5ED7630E323AA23_6041_UN,CC1=NC(=NC(=C1)N[C@H]2C3=C(OCC2)C=C(C=C3)F)[S](=O)(=O)C,BKMKMQTWFMSJEA-GFCCVEGCSA-N
-1FB0406A9E10D6E1_6C5D81FD3DE20017_6038_UN,N(CC1ON=C(C1)C(=O)N)C(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,ZFFVHDNAFBOFFU-UHFFFAOYSA-N
-20446A598FD2CD67_FE6DDBC9498C4E9F_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=NC=C2)O)=O)C=CC=C3,HEAYLAVACXIAAX-ZWNOBZJWSA-N
-217EF4A2CC00A7AB_956635AC09505D1D_6027_UN,CCCC2CCC(N[S](C1=CC=C(C)C=C1)(=O)=O)CC2,HEBXQHYXCABMDU-UHFFFAOYSA-N
-2249F958E8CF68A2_07F7366D4D03D2E7_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=COC(=C2)C(C)=O)=O)C=CC=C3,YRYYRQBVNTUFJM-QMTHXVAHSA-N
-224BF29D4F581F78_4DCCED471FB5BE8A_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=CC(=C2)C(N)=O)=O)C=CC=C3,YMCMNAHJJUYSDZ-IAQYHMDHSA-N
-22DD48C3BD56390C_9DC58D3198E856DE_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=C(C=CC=C3)C4CCC4)(=O)=O,OJTXMLLLFQLVMF-XGAFWQRZSA-N
-23438F3C430CD375_01B7AD674356B8FC_6038_DP,COC1=CC=C(C=C1)C2=NC(=N[NH]2)CNC(C3COC=CN3)=O,KHMUEZRNVYUPLM-UHFFFAOYSA-N
-23AB7AB4EA71B586_D6C2EAB6C91E2CD8_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=CN=N[N]3C4=C(C=CC=C4)Br,YBSRYEUFAKOCKZ-UHFFFAOYSA-N
-24B9E38EB58BA490_9BF127D0E8D1B66D_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC)C=CC=N3)(=O)=O,DOULLYMJBQPINV-UHFFFAOYSA-N
-273BCC241714960E_E1426D0F636E9DD0_6029_UN,N(CC1(CCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,SUNLUJSHOUGVEN-UHFFFAOYSA-N
-276BD2C182412ADD_32AE1CA0D62929BD_6039_UN,COC1=CC(=CC(=C1)OCCC2NC(=O)NC2=O)OC,RBCDCSXMEIIGDB-UHFFFAOYSA-N
-279EB97065C2753C_C8BBDB631B485B47_7019_UN,C(C1=C(C=CC=C1)OC2=CC=CC=C2)=CC3=CC(=C(O)C=C3)O,LUUVDFCAPUNCQI-UHFFFAOYSA-N
-27A1A7D00DC051E3_1A63313595AA1EF5_6027_UN,CCCC2CCC(N[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,JBMPZXGHQJJSIB-UHFFFAOYSA-N
-27C219220F133B84_E860C0A4201A9AFE_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC(=C(OC)C=C3)CO)(=O)=O,HMSFZLNWPWGUIV-UHFFFAOYSA-N
-29BB93A4161BB5A0_5F309A65489F5CC0_6005_UN,OC1=C(C=C(C=C1)C2=C(C)C=CC=C2)C3=CC=CC=C3,PSBXQDRNOCUVEU-UHFFFAOYSA-N
-2C9153BCD87CF70D_4102DE6E6C29963A_6029_UN,N(CC1(CCCC1)C2CC2)[S](C3=CC=C(CC)C=C3)(=O)=O,PZDGPUKRCISPAG-UHFFFAOYSA-N
-2E2F63CE6D5F7BE0_AD53EFC54A3D9281_6003_UN,O(CC1CNC(=O)O1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,RJJVPBWGDPMVGB-UHFFFAOYSA-N
-3226385D519AAD93_A0D20CDB608A87B0_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC2=CC(=CC(=C2)N3CCN(C)CC3)C,BNHLMXZFLSQMLK-UHFFFAOYSA-N
-32F26267367EAF5B_B0A0746CB665CD94_6041_UN,C1(=NC=C(C=C1)C(=O)N2CCCC2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,QKHDOECSAZCKSY-UHFFFAOYSA-N
-331D08F708EBAFAF_EC9AE524D3F9BC3D_6038_UN,O([C@@H]1COC(=O)C1)C(CC(C2=CC=C(CC)C=C2)C)=O,QALHBXDHNKCCBK-IAXJKZSUSA-N
-352D39C3D426DB83_5F92CCC295C4C0B2_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C3=C(C(OC)=O)C=CN=C3)=O,PJDKVINSNHFMEH-UHFFFAOYSA-N
-35580E3798A29F69_B36681F71679E663_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CC=CC4=C3N=C(C)[NH]4)=O,MAWLUORDHVDTJZ-MRXNPFEDSA-N
-3739A0D285192FE8_C996509F318254CF_6041_UN,CCN(CC)C1=NC(=CC=N1)NC3=CC2=C(C(C)COB2O)C=C3,QVZOUQQOKWPJRE-UHFFFAOYSA-N
-389973B8DC37F333_3CA2E4CB8C848C95_6038_UN,CN(C)C(=O)OCCNC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,ADJFEXXMFYPXQA-UHFFFAOYSA-N
-38BE6EA8AB2FB4CD_0F9E648D9632976B_6041_UN,NC(=O)NC1=C(C=CC(=C1)N[C@@H]2C(OCC2)=O)C(=O)O,FFPVEEITMMUEIE-QMMMGPOBSA-N
-3C558D1B684F4405_52397A15D25D5079_6039_UN,CC3=CN1C(=NCC(C1)OCC2=CC(=C([N](=O)=O)C=C2)F)C=C3,PPBBPGMWSUROCG-UHFFFAOYSA-N
-3CAD3C0C12813D63_5943E81496339679_6041_DP,CC1(C)C(CC1=O)C2=CC=C(C=C2)NC3(CCNC3)C,JVXHQFGYOSCDPH-UHFFFAOYSA-N
-3D91E292E634B40D_256BD86D7F2392DE_6029_UN,N(N1C(CC1)=O)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,MWDNYFPLWSESIU-UHFFFAOYSA-N
-42D4FEFD4262B122_D9A65641007E3053_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C(CC(N(C)C)=O)C=C2)=O,XJBFEIWELFKXDU-GFCCVEGCSA-N
-43B984CB3F4795B6_EDBA5F570AF7E6F8_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3=CC=CC(=C3S)C,CYLFUPAFEIFIMU-UHFFFAOYSA-N
-44706BB02C502668_13DFDC2BFD273B5D_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=CC=CC(=C3S)C,JLYSCZWIYVVIPK-UHFFFAOYSA-N
-44706BB02C502668_22796B5652DF7BF9_6041_UN,C1(=C(C=CC=C1)C2CC(=O)C2)NC3=CC=CC(=C3S)C,JLYSCZWIYVVIPK-UHFFFAOYSA-N
-4490DC36BFA847B8_81A3C46C085460C9_7015_UN,N([C@@H]1CC[C@H](CC1)OC2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,DEWFKSJHYNWIJO-UAPYVXQJSA-N
-44F01C202DAD0AE2_864041FB02BA055C_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC3(CC3)[N]4C=C(Br)C=N4,QGQKANRVJPIFIH-UHFFFAOYSA-N
-4588B709C6B23209_2BF8E5DE29ABE075_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)COC)=O,RDOXPKSHPGJXDS-LLVKDONJSA-N
-47EE455715FE5678_1262EF2F35D9C606_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)Br)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,MTOIHMBIDDBRSX-AMIZOPFISA-N
-47EEF7753DF701E1_39861B301F3B3AB1_6028_UN,CCCN3CCC(CN[S](C1=CC=C(C=C1)C2=CC=CC=C2)(=O)=O)CC3,UDWSMDODUBYXLI-UHFFFAOYSA-N
-4988BC0B9F9F4324_7E4B820729DD793B_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O,KBOFKHMDOOOAFU-UHFFFAOYSA-N
-49C589BAD6CD7220_0CC8716A0D2B633B_6038_UN,N(C1=C(C=CC(=C1)N2C(=O)CCC2=O)F)C(=O)C3=CN=C(N=C3)N4CCOCC4,JQECBRXUNUYUEW-UHFFFAOYSA-N
-4AF764D1536CAEA2_C5E8A01280B6295E_6041_DP,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)NC3(CCNC3)C4=NN=N[NH]4,JKWFHWDAWIWXLU-UHFFFAOYSA-N
-4B12218C69CC0F19_A7376CD39294D73F_6029_UN,COC(=O)C1=CCN(CC1)[S](C2=C(C[Si](C)(C)C)C=CC=C2)(=O)=O,OTQCPKMKCLZBRF-UHFFFAOYSA-N
-4B9000FCAC95CC9D_EA786165600FC16C_6041_DP,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CC(=C(N2CCNCC2)C=C3)F)[NH]4,NCBSEKWDPZZONA-UHFFFAOYSA-N
-4CA554CEF43CB4FA_FE272F62CB2941DF_6038_UN,CC1=CC2=C(C=C1)OCC2NC(C3=C[N](CC)C=N3)=O,LTBGPERSVIARJZ-UHFFFAOYSA-N
-4EB1F8B9C8F56037_8CE2446E0CF3709C_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C)N=CC=N3)=O,GOYUGMPOWXRVEE-ZDUSSCGKSA-N
-4F8E95945E830B2A_6465F84475939B29_7019_UN,C(C1=NC(=N[NH]1)C2CC2)=CC3=C(N(C)C)C=CC(=C3)C#N,ANOAPOAIEYGZJL-UHFFFAOYSA-N
-5083F90308B71B2A_90A3E0B7B14C7BC1_6038_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2)F)C(C3N(C)CSC3)=O,QXFWLBGYJBKUQY-UHFFFAOYSA-N
-51AB4CB95D3C0A1E_2605421D63553E51_6004_UN,F[S](=O)(=O)C1=C(C=C(C=N1)Cl)C2=CC(=CC=C2)C3(O)CCC3,VAJKRXGWWBSKTP-UHFFFAOYSA-N
-521F8E48365F3273_435AB30E4EB24F96_6041_UN,CCC2=C(C(=C1C=CC=CC1=N2)NC3CN(C(C)=O)CC3)C,ITNAGFBLZAMNFO-UHFFFAOYSA-N
-55636A4EF3293CF2_9FC88E2251CAC27C_6026_UN,ClC1=CSC=C1[S](=O)(=O)N(C2CC(C(C)(C)C)C2)C3CC3,OHUBMCPAVBQDAQ-UHFFFAOYSA-N
-5877D8087FF641D5_D6BE51439D932CD4_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3CN(C)C4(C3)CCCC4,RNSOOIGUPFFRDB-UHFFFAOYSA-N
-5A01D856671FFA17_9BF1B3511C4ED1DD_6039_UN,O(C(C1CC1)(C2=CC=CC=C2)C(F)(F)F)CC3=CC=C([S](Cl)(=O)=O)C=C3,GMAZFROUYSUPQS-UHFFFAOYSA-N
-5A54B30F976CD874_6D24266D3A703C7C_6038_DP,N2CC(CCNC(C=CC1=CC=C(N(C)C)C=C1)=O)C2,JQLXDNOXOLROGS-UHFFFAOYSA-N
-5A7636BD083FB8E3_491DFE7E7D02BE30_6038_UN,N(C1C2=C([S](CC1)(=O)=O)C=CC(=C2)F)C(=O)C3=CN=C(C=C3)N4CCCCCC4,KYSDINFWESPDPS-UHFFFAOYSA-N
-5A79CBFFFA0140FB_C231F18D977E584A_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)N(C(O)=C3N=CC=CC3=O)C4=CN=CC=C4,JMSNULUQNUWYLF-UHFFFAOYSA-N
-5BC9D122FB4C9031_638B7019446B2B11_6028_UN,N(CC1=CC=C(C=C1)CC2CC2)[S](C3=C(OC)C=CC=C3)(=O)=O,LXMVAHRAMTWJCG-UHFFFAOYSA-N
-5C86F4C6A2F3D9EC_453A5C2AADB6FF24_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2(C(C)=O)CC2)=O)C=CC=C3,HEAZVQPRNFWIFN-ZWNOBZJWSA-N
-5CFE21F934658558_7FEF1A1DD1B87F9E_6035_UN,O(C[C@H]1CNC(=O)N1)C2=CC=C(N(C(OC)=O)C)C=C2,FQGSNBWTEISZFB-SECBINFHSA-N
-5ED30C82DED4FD04_5645B549E684066E_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC3=C(C=C(N2CCN(C)CC2)C=C3)C)[NH]4,SORCHSZJHJAMDC-UHFFFAOYSA-N
-6144B3FA99B0C5B1_CF1746EA6BBE1186_6038_UN,S(C1COC1)C(=O)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4,IIOITJBAJOWMHD-UHFFFAOYSA-N
-622E1B1D7BDECD35_C927BB1972A3EBDB_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=C(C)N=CC=N3)=O,CUXKNNYQQYNLNP-AWEZNQCLSA-N
-62713530D093A982_2E42564DD4209275_6038_UN,CC1=[N](C=C(C=C1)OC(C2=N[NH]C(=C2)C3(C)CC3)=O)=O,QOHDPXPEIXRKFG-UHFFFAOYSA-N
-632C5D2C8931F1BD_255A562D9F11C0A0_6005_UN,ClC1=C(C=CC(=C1)C2=C(C=C(C=C2)C3CC3)F)[S](=O)(=O)Cl,UHJBSEIWAHOATL-UHFFFAOYSA-N
-6371D50C43894932_10306E455E9446C0_6038_UN,N(C1=C(C=CC=C1)OC2CC(=O)N2)C(C3(C)COC(=O)OC3)=O,YRNKTANHTKMQST-UHFFFAOYSA-N
-644547CF7D204125_CF6ACEE2E4CA2934_6038_DP,C[C@H]1OC3=C([C@@H](C1)NC(C2=CN=C(O)C=C2)=O)C=CC=C3,VMSWLZACRYYFNF-ZWNOBZJWSA-N
-662D96065080FFA1_7DAFCC02495ABD26_6029_UN,N(CC1(CO)CCC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,CJJJIKOITCOQEE-UHFFFAOYSA-N
-667FC4AE4EA1FE3D_FD1C867679AC96B0_6029_UN,CN1C(=NCC1)CN[S](C2=CC=C(C(OCC)=O)[NH]2)(=O)=O,YDZUPESNMQLXEL-UHFFFAOYSA-N
-67B29D6DC2894E7A_CDB2B25CA2B324A4_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=CC(C(C)(C)CC3)=O,RDUMHYQVRCMCPO-UHFFFAOYSA-N
-6895133DC9806C53_6A2EEDE26A053F68_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(CC)C=C(C=C3)F)(=O)=O,PUGDVCXZFLDKOD-UHFFFAOYSA-N
-6923CE66035FBF47_AD23B7DD79CFE498_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)NC2(C)C3=C(OCC2)C=CC=C3,ADEJVUSCMGUAHN-UHFFFAOYSA-N
-69B80219F2FEE7A2_F3172D618FA0B8E9_6041_UN,C[N]1C(=NC=C1[N](=O)=O)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C,WMKBDFCWBZKYBL-NSHDSACASA-N
-6C0011E17A4D33B9_5CC82B343E2B2804_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=C(C=CC(=C3)C)[N]4C=NN=C4)=O,JNKABKQSWOOBCA-KRWDZBQOSA-N
-6D9A2AD4CA000C84_6C609287A2305775_6005_UN,OC1=C(C=C(C=C1)C2=CC=CC(=C2)[P](C)(=O)C)C3=CC=CC=C3,YMGDZTJWNQZRFQ-UHFFFAOYSA-N
-6DA05576315B82D2_844C767E1F8A3394_6031_UN,O(C(=O)C1=CSC(=N1)C2=C[N](N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)B(O)O,FZEBAYPNCWGYPA-UHFFFAOYSA-N
-6EFA37335972FC05_5D34DD857C04D6FA_6029_UN,C[C@H]1C4=C(C[C@H]1N[S](C2=CC(=CC=C2)C3CC(=O)C3)(=O)=O)C=CC=C4,CPNPULUOWJLARM-RNODOKPDSA-N
-6FAF97755FA7C7F6_10A3099C48376B0B_6029_UN,N([C@@H]1CC[C@H](CC1)OC2=CC=CC=C2)[S](C3=CC=C(CC)C=C3)(=O)=O,VADARQYUWIGUQW-UAPYVXQJSA-N
-70F0E344626C8D50_A90C557CEBBEF929_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC(=CO2)C(N)=O)=O)C=CC=C3,XCKOCMDYRRVZCT-BXKDBHETSA-N
-71CAEA067D7AFFB1_13B7CF6768CF65E8_6026_UN,FC1=CSC=C1[S](=O)(=O)N(C2CC(C(C)(C)C)C2)C3CC3,UXXDFKBORXTSAV-UHFFFAOYSA-N
-74079D1A8EAD6A31_818C045A6803CA92_6038_UN,COC1=CC=C(C=C1)N3CC(NC(C2(C)COC(=O)OC2)=O)CC3=O,VUZKKFGTMGZLQW-UHFFFAOYSA-N
-75A0AB6E52E7BCC1_902F84404CA59F99_6039_UN,CC(=C1C(=NC(=C1C)C)C)OCC(NC2=C([N](=O)=O)C=CC=C2)=O,GXDCKPYESOGQOP-UHFFFAOYSA-N
-75AB7BF947253A29_403AA0B1683162DD_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=C(OC)C=C3)C[S](=O)(=O)Cl)(=O)=O,NOFPEEPXENYCHK-UHFFFAOYSA-N
-778A0D907004F762_860717C6DCD08276_6038_UN,N(C1=C(N=CC(=C1)[N](=O)=O)N)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ANKOBBREPDURBU-UHFFFAOYSA-N
-78472E2796899EF4_97D5B7783443DDE9_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NCC3=CC(=C(N2CCN(CC)CC2)C=C3)F,HSPYVJDSOCLVEB-UHFFFAOYSA-N
-7869C95AE28C0BE2_2F44351A667B9E80_6029_UN,CCCCN(O)[S](C1=CC2=C(C(=C1)F)CN(CC)CC2)(=O)=O,DAIXFNKQILLFNZ-UHFFFAOYSA-N
-79815211DAA11012_00CC62287B31BE62_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC)C=CC=C3)(=O)=O,MKWXLSHFHNZYAZ-UHFFFAOYSA-N
-79815211DAA11012_650C47A86B7F39DE_6027_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(CC)C=CC=C3)(=O)=O,MKWXLSHFHNZYAZ-UHFFFAOYSA-N
-7A55F262A707F2AE_3AEA9272FD79A734_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=CC(=C3)OCC)(=O)=O)C,ATRXHIBLUVIHRQ-UHFFFAOYSA-N
-7BC2B71A99353B86_99BB7CC384C76F4F_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CC=CC(=C2)C(C)=O)=O)C=CC=C3,BIZPZGJLDGOUHB-SJKOYZFVSA-N
-7C5F6A0E3773963E_611DDB9F8A859DE2_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=CSC(=C2)C(C)=O)=O)C=CC=C3,AOCRIBCRYWTEJP-QMTHXVAHSA-N
-7D25C9F6041B4D4F_15C532F27123914A_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=N[N](C)C=C3)=O,LINGUCKUNTZDLF-ZDUSSCGKSA-N
-7EFB9C638BD45783_E948B49A12E96DE4_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(CN(C)C)C=CC=C2)=O,VTMRGFMUAUOHPN-LBPRGKRZSA-N
-8228DE651B91C737_B969949B4ABA68A7_6009_UN,C1(=CC(=O)NC1=O)C3C(NN=C(C2=CC=CC(=C2)[N](=O)=O)C3)=O,QXUCPQDKBRZPHL-UHFFFAOYSA-N
-82E17259A8F5BCE0_41EE328A766AB2CF_6029_UN,OC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=N[N]3[S](C4=C(F)C=CC5=C4OCO5)(=O)=O,AZLQLZMRISJLEJ-UHFFFAOYSA-N
-83BCC94E8705C149_77F928927F796F50_6034_UN,CC1=CC=C(C=C1)CNC3=C2N(C=NC2=NC=N3)CC4=C[N](C)N=C4[N](=O)=O,OLBPTSJRMWCULI-UHFFFAOYSA-N
-84DFF6D978C2620A_907FAC3FB96819FA_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(O)CCSC4,XUPSMIRAFDHUFD-UHFFFAOYSA-N
-856E21C807500AB5_1B76FA0C59F71D1E_6038_UN,CCC(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)C#C,JJYRZHKTTJEVJF-UHFFFAOYSA-N
-858CC5C352211EB0_91DD25BECF561B48_6041_DP,C1(=CC=C(C=C1)CC2CC(=O)OC2=O)N[C@@H]3CN[C@H](C(OC)=O)C3,NEBLMEZPBOHESP-VNXPTHQBSA-N
-863C553087BA9C17_86D9F4FB9D46A701_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)F)[N](=O)=O,FMNZGFGOLCUEAW-UHFFFAOYSA-N
-87AC1D1988590EFA_FE45A26412F43132_6038_UN,N(C1=CC(=CC=C1)OC2CC(=O)N2)C(C3=CN=[S](C)(C=C3)=O)=O,PWKFWSPBHQHGSE-UHFFFAOYSA-N
-87C4CBD5163886E2_6A10640F7D7F8925_6028_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(C=C(C)C=C3)C)(=O)=O,VBFUAPDZPVRQTO-UHFFFAOYSA-N
-8A7DD749A87AA023_521F9EA3E431C29F_6038_UN,O(C1=C(C=C(C=C1F)F)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,ZJNUWSMZYVIXNP-UHFFFAOYSA-N
-8B1F72DB02499DDE_9F0FD69BF5A0821C_6038_UN,N(CC[N]1N=NC(=C1)C2CC2)C(C3=C(C=CC(=C3)C)C)=O,NTVWTLKVCZSPSY-UHFFFAOYSA-N
-90C73AA2D5F5E2E3_634677DFDFB3A690_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CN=C4CN(C)CC[N]34)(=O)=O,MAQGRLOITXGUQE-UHFFFAOYSA-N
-94B3A793D26628DB_2DEE2AEE259AE232_6028_UN,CCN3CCC(CN[S](C1=CC=C(C=C1)C2=CC=CC=C2)(=O)=O)CC3,WWYGCIJMRJYOFA-UHFFFAOYSA-N
-95EB4947571EC397_7A6C6CC02743283D_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C2=CC(=C(C=C2)N3C(=O)C=CC3=O)C)=O)C=CC=C4,VYCFZZQDSPHJRQ-RHSMWYFYSA-N
-968E2FBD267199E7_F2E16B239A23C995_6029_UN,N(CCC1=CC(=CC=C1)O)[S](C2=CC=CC(=C2)C3(O)CCOC3)(=O)=O,PMEXXHWHSIXHJI-UHFFFAOYSA-N
-98153E64C1559F45_2708E5EA2FCA3E5F_6041_UN,CN(C)C1=NC=CC(=C1)NC2C3=C(OC2)C=C(C=C3)F,DATAATCYYUVJOD-UHFFFAOYSA-N
-98521E82CD6DCFE7_B47F3EF014864A09_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(=O)CC3C=NNC3=O,YFDHEQHKHZCXHV-GLGOKHISSA-N
-98FAB408BAA37199_BFC5100734205594_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3CCN([S](C2=CC=C(C)C=C2)(=O)=O)CC3)=O)C=CC=C4,NMJQCYPSJHOMSB-DYESRHJHSA-N
-995DAF3B1962F622_5CA48F0D1125F2AE_6038_DP,N(C1C2=C(OCCC1)C=CC(=C2)F)C(C3=NC=C(C(O)=O)C=C3)=O,XZIYMKJDNFHSRM-UHFFFAOYSA-N
-999FD3F9ACCA526A_4669EE2A5DF61FE1_6041_UN,CC(C)OC1=CC(=CC=C1)NC3C[C@@H]2OC(O[C@@H]2C3)=O,CNNHIZKLVDLJHO-QXMXGUDHSA-N
-9C124965E038C668_1EED151158664B8B_6038_DP,N1CC3(C1)CC(NC(C2=CC=C(N(C)C)C=C2)=O)C4=NC=C[N]34,LFCGYLDBFAOCOG-UHFFFAOYSA-N
-9E6E98F7931678C1_F40C8A582B1C321C_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(CC)C=C3)(=O)=O,JIEPLTZGHPGOKK-UHFFFAOYSA-N
-9E80431CFF57A34C_7D33326EA717B8F1_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CC2=CC=CC(=C2)OC)=O,UYPRYZDKNIRKCQ-NSHDSACASA-N
-9F27B9C32DA06DC8_D4070FE0EEBAA04E_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C3=CC(=NN=C3)C)=O,SOTKFLAOWVLHID-AWEZNQCLSA-N
-A0B9B5A41E2E2028_7A12164B305297FD_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(CCC)C=C2)(=O)=O,XKTPHIGYMXYCJI-UHFFFAOYSA-N
-A10F375A2B94E930_8B7B4DEF10CE52C4_6029_UN,N([C@@H]1C[C@@H](C1)C#C)[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,MKUUCJZTBWCEOQ-VDISTLRHSA-N
-A6F1164A3B8D09FD_A2F8429583C42C36_6038_UN,COC1=C(C=C(C=C1)NC(C2=NN(C)C(CC2)=O)=O)[N](=O)=O,FYQYQMMBWOVSDC-UHFFFAOYSA-N
-A711F6DB8C02332D_694F79956C9A2865_6029_UN,CC(C)(C)C1=CCN(CC1)[S](C2=CC3=C(N=C2)OCO3)(=O)=O,KHQJLWKHTFAPIC-UHFFFAOYSA-N
-A9BFBC4C3959787F_C100055456A97197_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)CC3=C(C)OC=C3,GWHIRNWIEOIERL-UHFFFAOYSA-N
-AC2386866823275E_9EB2E2E159D8F796_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C2=CC=C[N]3C(=CN=C23)I)(=O)=O,IGJYLXCKPWTQAB-UHFFFAOYSA-N
-AC35F49938486A94_04CA2E41E64373ED_6029_UN,CCN3CCC(CN[S](C1=CC(=CC=C1)C2=CC=CC=C2)(=O)=O)CC3,JZPSKFVNSOEFKS-UHFFFAOYSA-N
-AC97D4580ECBCFD2_62DEACF8B1540A14_7015_UN,N(CCCN1CC=CC1)[S](C2=CC=CC(=C2)CC)(=O)=O,QYKPHKJOUAAITO-UHFFFAOYSA-N
-ACAF1611161CD41E_B12127269687279C_6039_UN,CC3=C(OCC(NC2=C([N](=O)=O)C=C1OCC(NC1=C2)=O)=O)COC3=O,XLLIDHHERDNXBS-UHFFFAOYSA-N
-AEF270A0A6B9AA65_5F3A03211E2535F5_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CCN4CCCCC(C)(C)C4,CDEWECBQQUQHDR-UHFFFAOYSA-N
-B32683F9290857F0_4FE32095113C9376_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC4=C(C(=C3)F)CN(CC)CC4)(=O)=O,AHKXLBKZKKPQPF-UHFFFAOYSA-N
-B3D8379309C8DF10_1565BCB29A03D939_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(=O)C3=CC=C(C=C3)N4N=CCC4=O,IGUMVEWDKQBHHO-SFHVURJKSA-N
-B45CF535930A2E4B_20EE613899BD976E_6029_UN,OC(=O)C1(CC1)C2=N[N](C=C2)[S](C4=C[N]3N=CC(=C3N=C4)I)(=O)=O,CTMCYZOQPMDJPR-UHFFFAOYSA-N
-B48B3C331C79477C_43C063028C91EE01_6039_UN,O(CC2CCC1=C(C=CC=C1)C2)CC3=CC=C([S](Cl)(=O)=O)C=C3,AOQQASVXLIEWCV-UHFFFAOYSA-N
-B6AFA876B70FFB3D_7A16DD66CE6756DD_6038_DP,N2C[C@H](NC(C=CC1=CC(=C(OCC)C=C1)C)=O)CO2,NFIUPKJNFDDIRY-ZDUSSCGKSA-N
-B73707DEA0515145_A3EE1765739CFEF7_6038_UN,ONC(=O)C1=CC(=CC=C1)OC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,NHGGLZLYGIYBSP-UHFFFAOYSA-N
-B922F8CDF0DAE3C8_EB4305B754F62A98_6026_UN,[S](=O)(=O)(C1=C(N=C[NH]1)Br)NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F,BPVPYBLZGCRLEO-UHFFFAOYSA-N
-BAC0189043A46F90_A27FC3D30EED05A0_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(=O)C2=CC=C(C=C2)N3N=CCC3=O)C=CC=C4,OTQZAMHZWRWQCX-CXAGYDPISA-N
-BDCF81B0F1A53E58_D37892C1EA1F4E94_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC4N(C)C(OC4)=O,DHKFTLVHSPTUMH-UHFFFAOYSA-N
-BE0A396FF7EE3A6A_C059C77A02248910_6029_UN,N(CC(CO)C1CCC1)[S](C2=CC=CC(=C2)[C@H](C)O)(=O)=O,POJBJXDHYUORBN-ZSOXZCCMSA-N
-BE5DF0D3B191F677_873AC90A2CD0AB58_6038_UN,CC1=C[N](N=C1)CCCNC(C2ON=C(C(C)C)C2)=O,QYTPOCRYKPQRPY-UHFFFAOYSA-N
-BF00133BC41BBB33_7753C09C160D918A_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=CC(=C3)CO)(=O)=O,FEGGULCIDVGLFH-UHFFFAOYSA-N
-C045E87ABC79005C_28E82010D7F57F9C_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(C3CN(C2=CC=CC(=C2)C(C)=O)C(C3)=O)=O)C=CC=C4,NYISISJWIHVCLU-LOPWJBSJSA-N
-C0B10C3E252874CA_5B434E40AEBD753B_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(CC)(C)C#N,MJKBFBGUZAERDA-UHFFFAOYSA-N
-C3BD9D48AD2ADDE9_97DDEFB46DF43D4F_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=C(C)C=C(C=C3)[N]4C=NC=N4)=O,WHBLWMINNSEQHS-LJQANCHMSA-N
-C3F5492B558A1354_F67F07DDA8D1F979_6029_UN,N(C1(CC1)C2CCC2)[S](C3=CC=CC(=C3)CCC)(=O)=O,RNCUQZONJJOJOY-UHFFFAOYSA-N
-C5B304C34EA1B8FA_F850175A8642D777_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C3=CC=NC(=N3)C)=O,LDUGKKLNFSNLLI-CQSZACIVSA-N
-C6172C64740AD208_0DFCF72566EA8167_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)N(C)C)=O,OUWQYBUHTQUQAS-NSHDSACASA-N
-C64BDAC4575E8B43_D36072994E60497E_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,MYZYJCMCLRDRJD-UHFFFAOYSA-N
-C87AFA35B106FC88_C499FD9B3F971C77_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C(C2=C(OC)C=CC=C2)=O)=O,MJTBQNCKEOPBCA-SECBINFHSA-N
-C8A9C2222ECCA794_A6FD8D12750856A4_6003_UN,ONC(=O)C1=CC(=CC=C1)OC2=CC=C3C(=C2)C=C(C(O)=O)OC3=O,ZIKUBXQUNILQPS-UHFFFAOYSA-N
-C98A292D6110F972_8AC7C57B576C90BC_6038_UN,CC1=C(C(=CC=C1)C)CNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O,YRTWHPHSYGBJAN-UHFFFAOYSA-N
-C98F5B73CF072645_636421350E928195_6038_UN,CC2=C1C(COC1=CC(=C2)OC(=O)C3=NC(=CS3)C4CC4)=O,ISUNENUHLPCQMM-UHFFFAOYSA-N
-CA0B4926AA0BD1F1_7DBF63E026B0E4F5_6026_UN,[S](=O)(=O)(C2=C1OCOC1=CC=C2)NCC4=C(N3CCCN(C)CC3)C=CC(=C4)F,JFGIALBYUGMHRW-UHFFFAOYSA-N
-CA781DA466B78413_328BE4965DBAD97C_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC[C@H](OC)C(=O)O,KVAMYPUEERXHGV-JTQLQIEISA-N
-D0CC024288563798_8B7E59D8852634AC_6029_UN,N(C1(CC1)C2CCCC2)[S](C3=CC=C(CC)C=C3)(=O)=O,IZSHIFWVHGYWCO-UHFFFAOYSA-N
-D2740DA4A08413AF_A4B7B4A173E32AB0_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)NC2(CCC2)C3CC3,DFHQAVFXZBGCFL-UHFFFAOYSA-N
-D30CE0E8A363F3C4_ECA5B3E2C13EA52E_6038_UN,CC3OC(=C(OC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2)C3=O)C,SCNAVVNLUCNQEX-COKTVNPCSA-N
-D337970939F13A7B_7FBF90BC9A490630_6029_UN,N(C[CH]1CC[C](CC1)=[CH2])[S](C2=CC=C(CC)C=C2)(=O)=O,GXRJIQROWXKZCP-UHFFFAOYSA-N
-D3427812F05CF9B7_C875C8B712C2747B_6035_UN,O(C2CCC1=C(C=CC(=C1)Br)C2)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,RPZJLGYZMQXMFA-UHFFFAOYSA-N
-D3A1B4EFB9394D74_527F84DF33CBF856_6029_UN,CCN2CCC(CN[S](C1=CC=C(CCC)C=C1)(=O)=O)CC2,IYCAJRVNEOAYJW-UHFFFAOYSA-N
-D4654A8E78E22B44_7BA27FA2D9A5B3AA_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(CC)C3CCC3,PXQMHAFZGRNTKI-UHFFFAOYSA-N
-D4BFF036AF4302A0_63FBDC669913D6EA_6029_UN,N(CC(=C)Br)[S](C2=CN=C(N1CCN(C)CCC1)C=C2)(=O)=O,NJDBJGHGMQHRCE-UHFFFAOYSA-N
-D5508905CE721644_52F82BBCB59A2064_7015_UN,N(CCC2CCN(CC1=CC=CC=C1)CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,IPQUZKSIQKINFF-UHFFFAOYSA-N
-D5CDCDE8ADE514F0_DA7509DC83532EAD_6029_UN,N(CC1=CC=C(C=C1)C2CCC2)[S](C3=C(C=C(SC)C=C3)O)(=O)=O,QXIDMHVMJZLVHU-UHFFFAOYSA-N
-D5DBF1F862F99A8F_C88545CE6FAFC526_6041_UN,NC(=O)NC1=C(C=C(C=C1)NC[C@H]2OC(OC2)=O)C(=O)O,YZCOJRNVKRGYRA-SSDOTTSWSA-N
-D84DB72440DD786F_F54192B2BDEE4BFD_6038_UN,C[N]2C=C(COC(=O)C1=NNC(=O)CC1)C(=N2)[N](=O)=O,UPWIXYNWVCWPRK-UHFFFAOYSA-N
-D89571C99FFB12D1_3BEEC34850C325AA_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=CC(=C2)C(N(C)C)=O)=O,OZKMLXCRJKGEOS-LLVKDONJSA-N
-D8C602D270028D93_27CCBAD09E4C8B91_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C=C3)[C@H]4CO4)(=O)=O)C,KYLJQIAMRDHZFS-OAHLLOKOSA-N
-DB22CFB624D28D60_EE588137A4965FD2_6038_UN,COC1=CC2=C(C=C1)OCC[C@H]2NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,KGJBOTONZVPAFT-QGZVFWFLSA-N
-DBA1BD2F71FC825E_B4455B4DC5D13D65_6029_UN,N(CC1(CCCC1)C2CC2)[S](C3=CC=C(CSC)C=C3)(=O)=O,VUTYUPQDJOOTCI-UHFFFAOYSA-N
-DD4FFC5EF611E33D_7A8BC441D43A37E8_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=CC(=N3)OCCOC)(=O)=O,HBYYZFXQUZUGNX-UHFFFAOYSA-N
-DE3AA0CCA90AB178_1A7AED21E9BAA6F4_6041_UN,NC(=O)NC1=C(C=CC(=C1)NC[C@H]2OC(OC2)=O)C(=O)O,ZCZUGLQCTKHLRF-SSDOTTSWSA-N
-E029D876D9E8481D_C7037A057940EDCF_6029_UN,CC1=C(C)CN(CC1)[S](C2=CC=CC(=C2)[Si](C)(C)C)(=O)=O,APPANAAAEGCIHK-UHFFFAOYSA-N
-E0B02C37ED585037_BFE04EA414F580C8_6028_UN,COC1=CC(=CC=C1)CCN[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,YKUBOQYHWXCDBV-UHFFFAOYSA-N
-E1207B674FC05B05_5192583F6EB9F4C1_7015_UN,CC2CCN(CCCCN[S](C1=C(CC)C=CC=C1)(=O)=O)CC2,PFVRDSJGUWHEIA-UHFFFAOYSA-N
-E1610EAB7679014F_77B7E7F056FE30CE_6041_UN,C[N]1N=C(N=C1NCC3=C(N2CCCN(C)CC2)C=CC(=C3)F)[N](=O)=O,KLOWFXPVMXTOOG-UHFFFAOYSA-N
-E477625CE92DDE2B_1505EA5B338F40CC_6027_UN,N(C(C1CC1)C2=CC=CC=C2)[S](C3=C(CC)C=CC=C3)(=O)=O,ASTJULWAMVQYKO-UHFFFAOYSA-N
-E6A9D124FBC9A406_8670FDD69DFB120B_7022_UN,C1(=CC=C(C=C1)C2CCC2)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,UATGALKKDGTQLV-UHFFFAOYSA-N
-E6BE6D4CECA01E42_C317F5645B4D7505_6038_UN,CCC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)[N](=O)=O,KNUANMRAHFNALV-UHFFFAOYSA-N
-E79CC61DC56F6F44_D1CCC9102A38DC3B_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@H]3CC[C@@H](N(C)C)C3,WQKAFYHNSHVKIZ-WDEREUQCSA-N
-E8B5C92A12A04BAD_0DC18A2471DA816B_6027_UN,N(CC2CCN(CCC1=CC=CC=C1)CC2)[S](C3=C(CC)C=CC=C3)(=O)=O,HVBVDDQLKOXGAX-UHFFFAOYSA-N
-E8D58115DE6DE669_FF0BA2A76EF2B79B_6003_UN,ONC(=O)C1=CC(=CC=C1)OC2=CC=C3C(=C2)CC(OC3=O)=O,RPDYMBSPAGVFPL-UHFFFAOYSA-N
-EA55430BD2CEBD20_C406F51A7D8BCFC2_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=CC=CC(=C3O)C)(=O)=O,UOJNUXQOXVCZIZ-UHFFFAOYSA-N
-EC3D97FFB8BC39ED_809477B47C2F5662_6041_UN,CN(C)C1=C(C(=NC=N1)N[C@@H]3C2=C(C=CC(=C2OCC3)C)C)[N](=O)=O,XFFNYZYWOKGDMR-LBPRGKRZSA-N
-ED50C62846FD8C4B_8677B4273C9000E9_6029_UN,CN(CC1=CCSC1)[S](C2=C([Si](C)(C)C)C=CC=C2)(=O)=O,DWYFQIHFDSSIDO-UHFFFAOYSA-N
-ED68487117D8CCDC_E53EAD13D6AECD68_6029_UN,ClC1=NC(=NC=N1)N2CCN(CC2)[S](C3=C(B(O)O)C=CC=N3)(=O)=O,PRFFKGNVBSTRLG-UHFFFAOYSA-N
-EDA6634FA2BD5B7B_FF72B51B65F189BB_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(CCC)C3CCC3,NMKVAJPBMQMSBE-UHFFFAOYSA-N
-EE35EAD774107BCF_DDE0C34AEADFC711_6029_UN,OC1CN(C1)[S](C2=C(C[N+](CC)(C)C)C=CC=C2)(=O)=O,XHJXCSLWSZLMIO-UHFFFAOYSA-N
-EF66E259659D1133_AADEDC6A04CF13EA_6038_UN,C[C@H]1OC3=C([C@@H](C1)NC(C2=COC(=C2)C(N)=O)=O)C=CC=C3,LNTCDIMJEJKLHY-BXKDBHETSA-N
-F09BBF2FDAA808E9_13B5EAADC2E57D39_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NN=C([N]2C3=CC=C(C)C=C3)N4CCOCC4)(=O)=O,IUWPFFGZMPIYTN-UHFFFAOYSA-N
-F0AE8705C353D27C_EEA253714563A9DC_7019_UN,OC1=C(C=CC=C1)NC(=O)C=CC2=C(C=C(O)C=C2)O,RYKMVGLBODMTBB-UHFFFAOYSA-N
-F150BB2E587B7618_A9813D415E6990FA_6041_UN,CC1=NN=C([N]1C2CC2)NC3=C(C=C(N(C)C)C=C3C)C,MCFNGNQSQMHEDZ-UHFFFAOYSA-N
-F1A72069E28E7B07_6E406E114DF65174_6041_DP,N1CCN(CC1)C2=NC(=NC=C2)NC3=C(C=C(C=C3F)[S](=O)(=O)O)F,IZJUYKVTCGRWHW-UHFFFAOYSA-N
-F1E301DE5ABA4C89_CD8EDA65F1D63031_7022_UN,C1(=CC(=CC=C1)C2CCC2)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,XVQIDRFULZTIBW-UHFFFAOYSA-N
-F304A9E97DA125D1_89E50E899CBAE14E_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C=CC2=CC(=CC(=C2)OC)F)=O,YXLFIVUACBXMOL-GFCCVEGCSA-N
-F401D3EF91071F1C_85E5484F3C8DE98E_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(C)C=C(C=C3)CO)(=O)=O,SZOWURUZHZLWMB-UHFFFAOYSA-N
-F4C9CE7A364C3D07_B87A75D1F6115989_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(=O)C3=CC=C(C=C3)N4N=CCC4=O,IGUMVEWDKQBHHO-GOSISDBHSA-N
-F5FA535C966124EE_9D7936C2D2F2C821_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)C=CC=C4,IEEVLWLVWSXABU-CXAGYDPISA-N
-F633250654241400_D0CCF6F4E9C2482D_6041_UN,CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NCC3=C[N](=CC=C3)=O,WJVVPJIJQHEGQK-LSDHHAIUSA-N
-F6DAFCC423878D2B_4437F3B892979360_6038_DP,O(C1=CC(=CC=C1)C2=CN=C(C=C2)F)C(C3=CCCNCC3)=O,PIOWCWOWSQDHOQ-UHFFFAOYSA-N
-F9653DB0AABAFF63_E73B857C7CAA9381_6038_UN,CCN(CCCNC(=O)C1=CC=CN2C1=NCC2)[S](=O)(=O)C,KIDHXAFMDMFGHO-UHFFFAOYSA-N
-F9AC8BC97B32B28F_C81E911F54D7AE00_6038_DP,CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(C3COC=CN3)=O,JSBREKUYLQRXBP-UHFFFAOYSA-N
-FA1A1558197FFAB9_6083D0677C74F41A_6041_UN,CC1=C(N=CC(=C1)[N](=O)=O)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,BGABZRQPZFJGAH-INIZCTEOSA-N
-FA73C2A7B8BD4E9A_55016E986443DD1E_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C([S](Cl)(=O)=O)S3)(=O)=O,MRQRFSKSAKUDHM-UHFFFAOYSA-N
-FAF764BB49A77C62_33D63A1368F45FDA_2875_DP,N1C[C@@H](O)[C@@H](C1)[N]2N=NC(=C2)C3=CN=CC(=C3)C(N)=O,HLEPJRRFHQUWCM-GHMZBOCLSA-N
-FBD11DA74F1E843D_3EB31F770EADC716_6039_UN,O(C(C1CC1)(C2=CC=CC=C2)C(F)(F)F)CC3=CC=C([S](F)(=O)=O)C=C3,VVKBGIABCFPFCC-UHFFFAOYSA-N
-FBE17A7116061F7C_220C2168A93CC53B_6028_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=CC(=CC=C3)I)(=O)=O,OZBNLUOTEPPCJA-UHFFFAOYSA-N
-FD9508E2746DB893_F617EEA5CC35236B_6038_UN,N([C@H]1C(NC(CC1)=O)=O)C(C2=CC=C([P](C)(=O)C)C=C2)=O,ZWELNMZHHZRTKJ-LLVKDONJSA-N
-FE575073792D9031_B1119706E7A5B179_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C4=NN=C(C3=CC=CC(=C3)C)O4)(=O)=O)C,UELJQITVVRSCFS-UHFFFAOYSA-N
-FF16F68F8285FBCF_74FF161E7CD12031_6038_UN,N(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)N)C(=O)C2=CC=CN3C2=NCC3,QMQZKFIZEUTDNE-UHFFFAOYSA-N
-rxn:2:120163:151893,CCN1CCN(c2cccc(NC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)n2)CC1,WEQIMOSVOVRPMI-UHFFFAOYSA-N
-00C7BB104B30084D_0E452F5F20A4BBA8_6041_UN,COC(=O)C4=CC1=C(N=CN=C1NC3=C(C(N2CCCN(C)CC2)=O)C=CC=C3)[N]4C,RICGAABENYMZNS-UHFFFAOYSA-N
-017A21EC8BE8C162_1F7AE853C41E55A1_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=CN=C(CC(OC)=O)S3)(=O)=O,UMIFYYPWSVIZOH-UHFFFAOYSA-N
-01BA9B5CEDF3215F_28C0EB70E932F730_2267_UN,CCCCC(O)(CCl)C#CC1=C[NH]C2=C(OC)N=CC=C12,OBUIXDUACCTQEZ-UHFFFAOYSA-N
-05A779A62E7ED6C3_40BCC1BB4707DD32_6029_UN,CC1=C(C=NC=C1)C2=CCN(CC2)[S](C4=C([S](Cl)(=O)=O)C=C3OCCCOC3=C4)(=O)=O,ZRGRAYWEAZAAJG-UHFFFAOYSA-N
-0631B4838635DF22_1D3E4BE385FF4ECE_6038_UN,C[C@@H](COC(CCC1=C(C)C2=C(NC1=O)NNC2=O)=O)N(C)C3=C(C=CC=N3)F,YKESTQLYEYUKBN-JTQLQIEISA-N
-082B3E03267F291F_9E8B653C6248B563_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(CC2=NN=N[NH]2)C3=C(C=C(C=C3)F)F,XHKHBZNSNZDTSK-UHFFFAOYSA-N
-09951844244F5F6A_4196A94E1518C6C6_6038_UN,CN3C(=O)C(=C(NC(=O)C1=CC=C(S1)C2=N[NH]C=C2)C34CCCC4)C(=O)N,LJBWANYQIKSYHN-UHFFFAOYSA-N
-099C646C1AE88567_FE2C591DA0555901_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)F)C2=CC(=CC=C2)Cl,GERNDKUXDLVXBD-VIFPVBQESA-N
-09C74AF60C8630E7_B972398EBAF0EE9C_6038_UN,CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)N4CCOCC4,YQGLMUWRMUDDKJ-UHFFFAOYSA-N
-09D3F98F6C1E4A50_2D5065AD74A99A99_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC4=CC=C([S](CC)(=O)=O)S4,CGGLMGWUQGJXMV-UHFFFAOYSA-N
-0B7CD2D21387EF2D_93CCCBCB280C06E5_6038_UN,CN1CCN(CC1)C2=C(C=CC=N2)CNC(C3=CN=CC(=C3)C(N(C)C)=O)=O,RPHKAVGUIOWJJT-UHFFFAOYSA-N
-0F5714BAF070791F_4274EF9DC95172FA_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC(C4=C(C)C=CC=C4)C5CC5,XGEMLDQOXVBALO-UHFFFAOYSA-N
-1038DFF9F8ED939B_DA3335B0315C0232_6038_UN,CCN(C(=O)C)C1=NC=C(C=C1)NC(=O)C2=CN=C(N=C2)C3CCOCC3,QFWMYJDCDNTBGH-UHFFFAOYSA-N
-1060F69901E0DFFA_1010493B34E9CABB_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC3(CN(C)C)COC3,KQGJXPNPGKEHMF-UHFFFAOYSA-N
-16E3CAE667AC33C1_7E08C3978130192D_6028_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C([C@H](C)N(C)C)C=CC=C3)(=O)=O,UBYWPYSIZQSXIH-NSHDSACASA-N
-16EE5ECF02FE9C38_06F3EF1AB3DF4CD3_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=C(C=C(C=C3)Cl)Cl)[N]4C5CCCCC5)(=O)=O,OUSLIGXZISEVOC-UHFFFAOYSA-N
-1A735A5DB43FC0E3_453029FFBB083790_6028_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4CC4)(=O)=O,FLXJGTRLHIRRPD-KRWDZBQOSA-N
-1ADC0CE00767F692_F627CA2A1DA29BB0_6041_UN,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC4(CCC4)C#C,JSXZRCHGQLRQNY-UHFFFAOYSA-N
-1B1158DA550F1D1B_D9833E351C0C6C57_6038_UN,N(C1=CC2=C(N=C1)C(=CC=C2)F)C(C3=N[NH]C(=C3)CCCCC)=O,CBGIWFYCUWXQAO-UHFFFAOYSA-N
-1D67C142AF9450CB_CCF6FD40FB754864_6038_UN,CC(NC(=O)C1=CN=C(N=C1)N2CCOCC2)C3=CC=C(C=C3)N(C)C,RTNIFAQHYOHNLB-UHFFFAOYSA-N
-1E66989F671A05F4_B70E905EF72050C4_6038_DP,CC1=C(C=CC(=N1)C(=O)N)NC(C2=N[NH]C(=C2)C3CCCN3)=O,HYYZWBPYKQCJAB-UHFFFAOYSA-N
-21AA102B7CEAA4EE_9B651DC64024149D_6035_UN,C[C@H](OC1=C(C=CC(=C1)F)[S](=O)(=O)Cl)C2=C(C=CC=C2)Br,NFYQBNUAJASECL-VIFPVBQESA-N
-233487B6126F0280_D2EDB63B10C7B3A4_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3=CCCCCC3,KUOCHOZENCRYPK-UHFFFAOYSA-N
-2363178D24C184D3_76B0260EC0BEE7BD_6041_UN,C1(=NN=C(C=C1)OC2COC2)NC3=CC(=CC=C3)C(O)CO,XVJXPCNFQHXSRI-UHFFFAOYSA-N
-23BF28F58F7D9700_665BABD32E38425B_6041_DP,CN(CC1CNC1)C2=NC(=NC=C2)NCC3=CC=C([Si](C)(C)C)C=C3,MODBENIQYMCHDF-UHFFFAOYSA-N
-28F66E2C0B549495_E8FA220EE0161ECB_6038_UN,CC(C)C(NC(=O)C1CCCN1C(=O)C2=CC=C(O2)[N](=O)=O)C3=N[NH]N=N3,YKFKGDBJENTBOZ-UHFFFAOYSA-N
-2C019F8BC495E35C_08F7BFC1C21528B4_6038_UN,N(C1=CC2=C(C=C1)N=CC=N2)C(CC(CCCCCC)C)=O,YDLVXCBDDJPWEZ-UHFFFAOYSA-N
-2D10BF1A6BF334E5_62BB272501CF4F19_6038_UN,CC1=C(C1COC(C(CC)[N]2N=C(N=N2)C3=CSC=C3)=O)[Si](C)(C)C,AWVIJFWBLBXJRN-UHFFFAOYSA-N
-316F673E73F1258D_D14E177FD650690C_6038_UN,CCCN1C(C=CC(=C1)NC(C2N(C)C(CC2)=O)=O)=O,FAKZUOIKZPVZLB-UHFFFAOYSA-N
-333B1E630A697DA8_3EC75527D5529230_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C=N[N]3C)(=O)=O,FRGUXPKIUHPQCD-UHFFFAOYSA-N
-350BD96BC0BD7C8B_CD88CB0E345BBF1B_6026_UN,CC1=NC=CC(=C1)[S](=O)(=O)NCC3(C2=CC=CC(=C2C)C)CC3,AHJFNNCLARSHMN-UHFFFAOYSA-N
-363119828844020D_C51B2A6C9EDFF9A1_6038_UN,CC1=CN=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)C4CC4,OZHJWNFLNAJYSJ-UHFFFAOYSA-N
-3B41C19E94C39D95_E70FE0F44C7C4A1B_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=NN=C(C3=CC=C(F)C=C3)[N]4CCN5CCOCC5)(=O)=O,DJWTYJSVMUDEEZ-UHFFFAOYSA-N
-3C83C02480B2C603_88274F1DBE94998C_6029_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C3=CC=C(C=C3)OC4=CC=CC=C4)(=O)=O,SKRVICBDKJFORE-UHFFFAOYSA-N
-43A6D2EA967DFA84_81B3015AF34D1EEA_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NCC3=CC=C([Si](C)(C)C)C=C3,KXPCHVAECCRDKG-UHFFFAOYSA-N
-440F505AE2C411D8_F61E3A216A993AB6_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(N2CCN(C(OC)=O)CC2)C=CN=C3,WDMNDOOXFTVIKS-UHFFFAOYSA-N
-45AD5CDE41999E1C_F0B406CB269BF8C4_6031_UN,CCC(SC1=NC(=N[NH]1)N)C(=O)OCC2=C(N(C)C)N=CC(=C2)Br,XHRBFCVQHOFGSL-UHFFFAOYSA-N
-46EC16D4920DAC94_15CC92AD24EC444D_6041_UN,C[N]1C=C(CC#N)C2=C1C=C(C=C2)NCC3=NN=C(N(C)C)[NH]3,VCOJCESADFAABS-UHFFFAOYSA-N
-4976FC8AAF2C0305_4E60AB6DA6BBFAA8_6038_UN,CC[C@H](C)[C@H](NC(CCCC1=CSC(=N1)C)=O)CN(C)C,ISVJBYXPKPLZCE-SWLSCSKDSA-N
-4BED0A574C311960_4E6C5B9CB6294A61_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C)ON=C2CBr)(=O)=O,AEHXWBQJYYMRJX-UHFFFAOYSA-N
-4D429DEC986C80E2_932D886618962DEB_6029_UN,O=[N](=O)C1=CC(=CC=C1)C2=C[N](N=C2)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,LSNGUPMPKBGIJM-UHFFFAOYSA-N
-4E8F8528775041AC_7A8414DC25F47389_6029_UN,N(CC1(CCC=C)CC1)[S](C2=C(C=C(CC)C=C2)Cl)(=O)=O,QFQKTCZKJAGQOO-UHFFFAOYSA-N
-4FD3E204603318DC_11632A6C0DAB15FE_6038_UN,C[C@H](NC(=O)C1=CC(=N[NH]1)F)CN(C)CCCN(C)C,DMYJWEZUXRXDDZ-JTQLQIEISA-N
-508F375C94BC112B_744002199C1D75FF_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NCC3=C(CC)C=CS3,XFVHCOFHEMKDNP-UHFFFAOYSA-N
-528E101AA6709899_391DF0A65420B694_6028_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C(=C2)F)F)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,VZNRKFIMSXECHA-WMLDXEAASA-N
-5416CC12E25A269F_00A69FE0F5ECD31B_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,FAHFLQDVOUDOEJ-UWVGGRQHSA-N
-54280F6F2600142F_40BC33B1C2820DEC_6041_UN,C2(=C1OCOC1=CC(=C2)CC#N)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C,VSYBUHJWNNWCQB-DOTOQJQBSA-N
-54419AF35F64037E_6EE71CB0575F1788_6038_UN,N(C1=CC2=C(C=C1)N=CC=N2)C(CC(CCCCC)C)=O,KCJUITHLLAOATI-UHFFFAOYSA-N
-54C1CD6CBED275C0_232EA79B2C13F164_2201_DP,N1CCC4C1C5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,CPRYQWMHSISOKL-UHFFFAOYSA-N
-557758B1272EB72C_55FFD91D1AE6392F_6041_UN,O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N(C)C,MSFRFJKDWZSENE-DZGCQCFKSA-N
-56C519014745C322_66E2C7870011E3A2_6038_UN,N(CCC1=CC=C(C=C1)C2CC2)C(=O)C3=CN=C(N=C3)N4CCOCC4,GEFFFQNEBSXSRO-UHFFFAOYSA-N
-5ABE1E96C8466F39_A5F7E231F2B5D0B9_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NC[C@H]3C[C@@H](OC)CN3C4=NC=NC(=C4)N(C)C,AMHLKZVDYCXGDN-ZIAGYGMSSA-N
-5AD07F78B9D70ED2_3E7C8EE7FA3BB2FD_6029_UN,O=[N](=O)C1=C(N=CC=C1)N2CCN(CC2)[S](C3=C(CO)C=CC(=N3)F)(=O)=O,WDXSELIMWZOKSL-UHFFFAOYSA-N
-5D6111AF42D5C2EF_E73BFD976E79F2CD_6041_UN,C1(=C(C=CC=C1)C(=O)N2CCC(=O)CC2)NCC3=CN=C(N(C)C)N=C3,PFKHTWFWMLPYBK-UHFFFAOYSA-N
-609E9DB4FBE3D9E5_99B79A07A31D93B5_6041_DP,CN(CC1CCNC1)C2=NC(=NC=N2)NCC3=CC=C([Si](C)(C)C)C=C3,JZRBIJCABLVQFL-UHFFFAOYSA-N
-60AC7FDAB4E8E5FC_24E3028DECCE24E8_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)Cl)C2=CC(=CC=C2)F,JHHHQBWNYABTLB-VIFPVBQESA-N
-61F7083132FD9480_8E4DF71429289B7D_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OCCOC)C=CC=C2)(=O)=O,YTMSXLIPMGGFPP-UHFFFAOYSA-N
-620F0EFE60939FA2_758FB152C4627AA2_6034_UN,CC(Cl)C1=NC(=NC(=N)N1C[C@@H]2CC[C@@H](CN)CC2)N(C)C,GKLVRFHMTTYBGM-YWRZDDHQSA-N
-626B19B57609D906_86649EF81A8DB14C_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)N[C@@H]([C@H](CC)C)CN(C)C,CJODHPYVCOOYFN-SMDDNHRTSA-N
-643C401431622105_FB461F7BD932C029_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=C(N=C2)Br,ZHOAXPSOGWWOLO-UHFFFAOYSA-N
-6518CA88F486FBC4_E87C52AE1A7CF394_6034_DP,ClC1=NC3=C(C(=N1)NCC2=CC=CO2)[N](C=N3)CC4(CC(OC)(C4)OC)CN,CSMNKQMNWHNPOV-UHFFFAOYSA-N
-68E24B7C40D03B0A_0037E9034C7B437F_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC#C[Si](C)(C)C,ZDKNHGRLHLIWNK-UHFFFAOYSA-N
-6B15B0735AE58038_464755188676371B_6041_UN,CC#CC1=CN=C(C=C1)NC3=C2C(C)CC(C)(C)C2=C(C=C3)F,VXCVGAJKMYTNFM-UHFFFAOYSA-N
-6C23B99AF57DEE09_388E50FB36E3755C_6043_UN,CC1=CC=C(C=C1)[S](=O)(=O)OC3=C2C=C(C=C(C2=NC=N3)F)N4CCCCC[S]4(=O)=O,KCGBXWFHDRQNCX-UHFFFAOYSA-N
-6D0269D8B9C279A7_33907149E2380EFF_6038_UN,CC(OC(=O)C2=NC=C1[NH]N=CC1=C2)CCCC#C[Si](C)(C)C,SNDHUZHQEWUICO-UHFFFAOYSA-N
-70DE63E0779438FE_BABC95FA1CDD2B3F_6029_UN,CC(C)N(C1CCCCCC1)[S](C2=CC=C(CCC)C=C2)(=O)=O,MQXAUAYBAIWBSV-UHFFFAOYSA-N
-719A440B22A75EFB_DA8D8FFCD1E57AC4_6029_UN,C#CCN(C1CCC1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O,BQWJBYUZTPPLQQ-UHFFFAOYSA-N
-72098C4358625361_A5F0D489951FEAF7_6029_UN,N(C1(CC=C)CCCC1)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,GGJOBYIBAFLGHF-UHFFFAOYSA-N
-724E8DE6898BAB32_C3FEBD0B578B463A_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NC4=C3OCOC3=CC(=C4)C(OCC)=O,ZQZCPFYDVDUTIZ-UHFFFAOYSA-N
-73088BC8246E55A0_A827DC475CB9F196_6038_UN,CN(C)CCN(C)CCCNC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,BYDSAIXFMBQIGX-UHFFFAOYSA-N
-77C3D14B581F9D70_879D35323577F781_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC4=C(C=C(N3CCN(CC)CC3)C=C4)OC,NHZKEJQYCYQPFB-UHFFFAOYSA-N
-78A09D60385E97E0_D70A4616D45FA1CF_6028_UN,N(CC1(CCC=C)CC1)[S](C2=CC=C(COC)C=C2)(=O)=O,YKLQSLUDOGPGRE-UHFFFAOYSA-N
-78B11B399BCA5128_78F63AA489E6F487_6035_UN,C[C@H](OC1=C(C=CC(=C1)Br)[S](=O)(=O)F)C2=C(C=CC=C2)Cl,LQLGLVFWFFZFPF-VIFPVBQESA-N
-78F62FB42DFE6FEB_0469E623CE52DC61_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C(OC)=O)C=C(C=C3)N4CCOCC4,IRPPFRCXQDCMQI-UHFFFAOYSA-N
-7C40BAA41B0CB37D_E10596E992C0D390_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,JIRFTJGUCWOVNC-UHFFFAOYSA-N
-7CE37BC9E49B51B2_835E8793E461E9E6_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC([C@@H]3[C@H](N(C)C(C3)=O)C4=C([N](N=C4)C)C)=O,ZPXHLBNUOURBTQ-KNBMTAEXSA-N
-7E28325B1D805C88_264B15B2476A49F3_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4CCN(C(OC)=O)CC4)=O,VVSALOQYDUUHLW-UHFFFAOYSA-N
-7F97CC70300550D6_F7D76EF02C5D009A_6031_DP,NC(CB(O)O)C(=O)OCC(CC1=CC=N[N]1C)CN,NKTCIRGLDNEIKM-UHFFFAOYSA-N
-7FA28B4C1633DE53_AB0A332709053F02_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N(C(O)=C3N=CC=CC3=O)C4=CN=CC=C4,MTPPJFHIHAPJST-UHFFFAOYSA-N
-809BA3873FC6109A_5E9AE9B127CAB276_6041_UN,CC[N]1C=NC2=C1N=CN=C2N[C@@H]([C@H](CC)C)C(=O)N(C)C,NVHIFCAWJRIQEO-QWRGUYRKSA-N
-80AC4C265C2ABF72_EBC9A8CB81F1A063_6003_UN,O(C1(CC#C)CCC1)C2=CC=C([S](C(C)C)(=O)=O)C=C2,KBNFTBSIUSKJIK-UHFFFAOYSA-N
-80F63C265974AC97_94E485634996346E_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=NC(=C2)Cl,NWIXFYKZAIOQKX-UHFFFAOYSA-N
-81477956D4947BFD_77140666CCCFC1B5_6035_UN,O(CC1=C(C=CC=C1)C2CC2)C3=C(C=C(C=C3)Cl)[S](=O)(=O)Cl,IOHFTJQLKHJRKV-UHFFFAOYSA-N
-830EB71B1EB5A844_2A51D96508BB6DFA_6041_UN,C2(=C1N=C([NH]C1=CC=C2)CC#N)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,YMDHIJVQCGPNRR-KBPBESRZSA-N
-83FAD1AC23939A54_CA9669DAC0CF38AB_6038_UN,COCC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC=CS3,CAIJFWGLMCVMIZ-UHFFFAOYSA-N
-84214C990A0E1926_73DC28F28A762F00_6026_UN,CC1=C(C=CC=C1)[S](=O)(=O)NC(C2=CC=C(OC)C=C2)C3CCC3,GKQPEVRNUAIFNN-UHFFFAOYSA-N
-8442706BA6E046A6_7418F5833C25735D_6041_UN,OC(=O)C1=CN=C(S1)C2=CC(=CC=C2)NCC3OC(OC3)=O,YBTRQGJIVVEPHM-UHFFFAOYSA-N
-8545994C0F03F149_A3B10958BF2E490E_6029_UN,CN(C(C)C1CC1)[S](C3=C2CCC(Cl)C2=CC=C3)(=O)=O,WOUNOMHHWRFIGM-UHFFFAOYSA-N
-859D224F38D2D7EA_335E78846D101E75_6038_UN,CN(O)C(=O)CNC(CC[N]1C=C([S](N)(=O)=O)C=N1)=O,DYARFRVBMZVKFG-UHFFFAOYSA-N
-85C93254E3BE524B_7FBC9D6F937CC120_6038_UN,CC(C)C(NC(C(CCN(C)C)=C)=O)C1=NC=C[N]1C,UYUIMZHJOUUUFS-UHFFFAOYSA-N
-88905C5B95F42C7E_A704D70499DA0997_6038_UN,N(CC1=C(C=CC=C1)C2CC2)C(C3=C[N](CCCC)N=N3)=O,IWJQHZDXFRTMEX-UHFFFAOYSA-N
-898B0CED88CD8559_EA9B280741D4D362_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NC4=CN=C(N3CCN(C(OC)=O)CC3)C=C4)=O,DSNKXMYVZURPCP-UHFFFAOYSA-N
-8B3A732FB4FE0E6C_28665E6BDDB36300_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C3=CN=CC(=C3)C(N(C)C)=O)=O,IDUGEBOKDXTTAZ-UHFFFAOYSA-N
-8D38052CFFAFDD4B_7769B1690FBA0AD1_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=C(C(N(OC)C)=O)C=CC=C3,DVRNYSLRPRAMJV-UHFFFAOYSA-N
-8D8068E4FCD43872_718604FB6FF344E4_6038_UN,N(C1=CN=C(N=C1)C2CCOCC2)C(C4=NC3=C(CC)C=CC=C3C=C4)=O,XWKUHPRZUXWYCH-UHFFFAOYSA-N
-8E105AB177934BBC_EF9400557F5D75F9_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCCC2)[N]3CC4=CC=CO4)(=O)=O,ZKTHKUXOFKDNEJ-UHFFFAOYSA-N
-909E1953F6902CD9_3C4C46561F82C7FF_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C3=CC=CC(=C3)C(N(C)C)=O)=O,MNDDSWSOBIAEDC-UHFFFAOYSA-N
-919567032D0E3DD0_FA2870A145ABD8BC_6029_UN,C[C@H]1C([C@@H]1C)N[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,MVQGRCOMTJVLBI-ZFXTZCCVSA-N
-940F9EF90328FED3_FE98B4FA12C64395_6029_UN,N(CC(CC1=CC=CC=C1)C2CC2)[S](C3=C(CO)C=CC=C3)(=O)=O,KSWVYKMROOERMG-UHFFFAOYSA-N
-94FA7FC37FCBCCA7_391C33833DADADC4_6029_UN,CC1C3=C(CC(CC1)CN[S](C2=CC=C(CC)C=C2)(=O)=O)C=CC=C3,LKXNLIKFVUOVLW-UHFFFAOYSA-N
-99728836ED37D706_10FDB7DE77053F21_2201_UN,CC1=CC4=C(C(=C1)C)OCCC5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45,CPIUDCWXFNLKRN-UHFFFAOYSA-N
-9A9FFB403C713511_48D7E8D76B228199_6041_UN,CC(C)C1=NC2=C(C(=N1)NCCCCCCC(N(C)C)=O)C=C[NH]2,YZXLDGCQAIWKAA-UHFFFAOYSA-N
-9DB9152EE508683E_01D1DA977E2F7015_6035_UN,CC1=C(C=CC=C1)C(OC2=CC=C(C=C2)O[P](=O)(O)O)C3=CC=CC=C3,NZYHOGXLZXPRRA-UHFFFAOYSA-N
-9F0F9563BC0C2956_A87784A617651B83_6041_UN,O=[N](=O)C1=CC(=C(C=C1)N[C@@H]2C(C)(C2)C)N3C(=O)C=CC3=O,WJKUHSXZKDZVGD-LBPRGKRZSA-N
-9F113DC545D30EE4_AB6D5EE78C5724E6_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC(CC3=CC=C(OC)C=C3)(C)N,OAOOZCGGFIBDIL-UHFFFAOYSA-N
-A033C3939FAD8799_7DEF26E979F47EA1_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,ILBVWCAXIAYOQM-AQYVVDRMSA-N
-A10BCA4A0A5514B9_E9D088CD48D84824_6041_UN,O[S](=O)C1=CC=C(S1)NC2=C(C)[N](N=C2)C[Si](C)(C)C,KZDCWCFBSYBZSA-UHFFFAOYSA-N
-A67B49CAA9A174E4_8F33CC4FF62C7C51_6041_DP,CN(CC1CCNCC1)C(=O)C2=CN=C(N=C2)NC3=CC=C(C=C3)N4C(C=CC4=O)=O,GRXLTUICWMLALD-UHFFFAOYSA-N
-A749E30BFC7E94BD_0CC93F7B8788832C_6028_UN,CC1C3=C(CC(CC1)CN[S](C2=CC=C(OC)C=C2)(=O)=O)C=CC=C3,QZGMNULGKQOCND-UHFFFAOYSA-N
-A86622D8A750928C_E2F2A2442E333FAE_6038_UN,CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3)N4C(=O)CCC4=O,RJJWRDQYJQUKFM-UHFFFAOYSA-N
-A8A4FF7E6D45E7CF_191CBE1B15D3E577_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(C3=NC=C(C(OC)=O)C=C3)=O,DGIHXSRBXKCEGK-UHFFFAOYSA-N
-A9C452A6FE02FB7A_CEA23947DE157A97_6038_UN,C[N]1C=C(C=N1)C(NC(C3=CC2=C(CCC(CC)C2)S3)=O)C4=C[N](N=C4)C,CPYNBAVXUDFEFA-UHFFFAOYSA-N
-AA5F3AC1C2D28D9B_A22F6B67DA3FEAE5_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)N[C@@H]([C@H](CC)C)CN(C)C,NIDIVMBLGZNGQD-CMPLNLGQSA-N
-AC65AA53D6116D66_68E4A9A9EB40FB5A_6027_UN,CC1C3=C(CC(CC1)CN[S](C2=C(C)C=CC=C2C)(=O)=O)C=CC=C3,MWGLSUFNJFGGII-UHFFFAOYSA-N
-ADFB3178B89247F0_CE1F7CF71A0D03DD_6038_UN,N(C1=CN=C(N=C1)C2CCOCC2)C(C3=C(CC)C=NC4=C3C=CC=C4)=O,XGQIXNWCGJTBEC-UHFFFAOYSA-N
-AE108BCDD3428420_40E60E7A45FCC365_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(OC)C=CC(=C3)C(=O)N4CCCC4,AWTXESDTUKXKOU-UHFFFAOYSA-N
-B1FEDAFF9132498F_6B146D4F2B005ACE_6029_UN,OC1(CN(C1)[S](C2=C(N=CN=C2)OC3=CC4=C(C=C3)OCO4)(=O)=O)C5=NC=CC=C5,PQSWSVVZCCEDKV-UHFFFAOYSA-N
-B282D773028A9016_D3EF7E389BD6D3A7_6038_UN,N(C1=CC(=C(C=C1)F)N2C(=O)CCC2=O)C(C(CCN(C)C)=C)=O,GRKVGMXWEYAZCG-UHFFFAOYSA-N
-B2FEF988707E306B_BC79707DF8B7A569_6029_DP,N(CC1=CC=C(C=C1)N=[N]#N)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,UWODHUFKBQMGJD-UHFFFAOYSA-N
-B3B5A8EF85C7AFEE_76877648D05DD990_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C=C(C=N3)Br)[N](=O)=O,OBUOTKOURUOMIZ-UHFFFAOYSA-N
-B5FC1794D29EE05B_FA4E9BBC01777B1F_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NC=C(N=C2)Cl,UFTQSNISTAADKQ-UHFFFAOYSA-N
-B884CCD80241D9B0_5116265062549D0C_6026_UN,CC(C)CC1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(C2)F)C3,MGKZHCBSMBJZDW-UHFFFAOYSA-N
-BA3CAE7BADB487A2_B1E8D77EE1C58973_6029_UN,CC1(CC(C1)N[S](C2=CC=C(C=CCO)C=C2)(=O)=O)C3=CC=CC=C3,BRJVPRLUSHXOEP-UHFFFAOYSA-N
-BBFA18FC167481DA_D1026DFC95772BF7_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(CCC3=CC=CC(=C3)N(C)C)=O,AVTRMNZVKPSLHB-UHFFFAOYSA-N
-BC4D0B8F7BAB3CCD_7BCDA4974B311777_6041_UN,OC(=O)C1=CC(=C(C=C1)NCC2=CN=C(N(C)C)N=C2)N3CCCC3=O,ZGAGVEAYLGPCNM-UHFFFAOYSA-N
-BC4F55CE7CC1746D_E19F5EF029D85687_6029_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=CN=C(N(C)C2CCNC2)C=N3)(=O)=O,NIGOWRDVWYZSAW-UHFFFAOYSA-N
-BE2C78E238C3EAC9_0F3C5180107C190C_6041_UN,CC1=C(C=CC(=C1)NCC2=CN=C(N(C)C)N=C2)C(=O)N3CCC(=O)CC3,YOFJXXBXCAFQGK-UHFFFAOYSA-N
-BF44A279952A740E_3E04073339921C21_6041_DP,CN(CC1CNC1)C(=O)C2=CN=C(N=C2)NC3=CC=C(C(N(OC)C)=O)C=C3,VSOWTFLTKCFGFU-UHFFFAOYSA-N
-C36665EDCF87E62E_6C16BC77AC6C9DEF_6029_UN,N(C1CCC(CC1)C#C)[S](C2=C(C(C)C)C=CC=C2C(C)C)(=O)=O,FXBABJNGVKGEOE-UHFFFAOYSA-N
-C408F3DF65F9284F_01F37E71F28918FA_6038_UN,CN(C(=O)C)C1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2)C3CCOCC3,QDVVBEWPPFHTJM-UHFFFAOYSA-N
-C454BC4A49E8DCFE_A97F1B417AFAA30A_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(C=NC=C3I)[N](=O)=O,PLMMLNHIERQAKD-UHFFFAOYSA-N
-C462A55DE52E0EC0_C1A0D1797998A263_6029_UN,OC(=O)C2=C1OC(=NC1=CC=C2)N3CCN(CC3)[S](C4=CC=C(B(O)O)C=C4)(=O)=O,DYMUTYHMTGOWBW-UHFFFAOYSA-N
-C53264BD9F3A5C94_77ECA5265555CF8A_6029_UN,CON1C(N(CC1)N[S](C2=C[NH]N=C2C3=NC=CN=C3)(=O)=O)=O,DPPRYAPURKCNKC-UHFFFAOYSA-N
-C62B05BD426E2B8E_FF4E7849B2C188DD_6038_UN,N([C@@H]1C[C@@H](C1)OC2=NC=CC=N2)C(=O)C3=CC=C(C#N)[NH]3,XAYLTCQXELTHDF-PHIMTYICSA-N
-C635C26EBEB7E9E6_C041702EC4450B03_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC(=C(OC)C=C3)N4CCCC4=O,CYWKSNLQLKGEMM-UHFFFAOYSA-N
-C6B2743B19056F41_B1581FE91B564C5E_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC(C2=NOC(=N2)CN(C)C)(C)C)N3CCOC3=O,SUSPCZXPWRTFFZ-UHFFFAOYSA-N
-C76B1EB8E45E71A4_129B7889AA2FB1DE_6039_UN,CN(C)C(=O)N2CC(OCC(NC1=C(C(OC)=O)SC=C1)=O)C2,VGQAOUSQHSFGFF-UHFFFAOYSA-N
-C788DC429EE2E8B3_8EE98A659B21C9DB_6041_UN,CC(C)C1=NC2=C(C(=N1)NCCCCCC(N(C)C)=O)C=C[NH]2,WJNAEDYDBBBELG-UHFFFAOYSA-N
-C7E2DCB88D84D3A8_B67F1D475A1FC240_6038_DP,CC(NC(C2=NOC1(CNC1)C2)=O)CC3=CC=C(C=C3)N(C)C,GJKYEIFSUGMUBV-UHFFFAOYSA-N
-CB6E74EF46CF21F8_FE5EAF06E1439330_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=CN=CC(=C3)N4CCN(CC)CC4)(=O)=O,GYCPMFPKIXIKDQ-UHFFFAOYSA-N
-CC817A5E3B403C86_DFA320DAC9472BE5_6038_UN,N(C1C(NC(CC1)=O)=O)C(CCC2=CN=C(N(C)C)C=C2)=O,XOGDOFNJMWENHD-UHFFFAOYSA-N
-CC965AC5013DC81D_5587C353600C9ECB_6029_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,XDSOVKPDVLSDIH-QAQDUYKDSA-N
-CD9E35B65AA87001_97CB17E0CF14C434_6029_UN,COC1=CC=C(C=C1)CCN[S](C2=C(F)C=CC=C2C3CC3)(=O)=O,KHGGAGRLOUINMW-UHFFFAOYSA-N
-CE63BD8C50697184_4881437012E9EAA7_6029_UN,N(C1(CC1)CCCO)[S](C2=CC=C(CC(C)(C)O)C=C2)(=O)=O,RTJYKENDSKZLQU-UHFFFAOYSA-N
-D2A1880823CDB10D_F20837414D874E36_6041_DP,C1(=CC=C(S1)C2=C(C(=O)OC2)C3=CC=CS3)NC5(C4CNC4)CC5,BBFUOSBAQCGIPX-UHFFFAOYSA-N
-D3ACE3DC31849479_835947225A76C554_6003_UN,CC1(C)CCC(F)C1OC2=CC=C([S](C(C)C)(=O)=O)C=C2,INJGYNYMHQXWQC-UHFFFAOYSA-N
-D3EBF4753329FA7E_FA0C0002520319D1_6003_UN,O(C1=CC=C(C=C1)O[P](=O)(O)O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3,WGNBOUFYCAUNTG-UHFFFAOYSA-N
-D4AFF204B309B083_9F1C8832EEE25A01_6041_DP,N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)NC4C3=CC=CC(=C3OCC4)CC,IRVLTWFXNVXGQI-UHFFFAOYSA-N
-D4DB50212C8F6666_72C982A594FE310A_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C=CC(=C4)C(N(C)C)=O)C,LTMRTJRCLVDMHM-UHFFFAOYSA-N
-D552E53C9E119479_1D73A6B38A21D02F_7019_UN,C(C1CC12CC2)=CC4=C(C3=C(C=C(C)C=C3)C)C=CC=C4,KOAWGHXZEOZKOE-UHFFFAOYSA-N
-D5DFF376BE03D46D_05CD5C3FF0C428F8_6041_DP,C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)NC(C)C2CNC2)C(=O)O3,JCEDIUNNHFVTFE-UHFFFAOYSA-N
-D6DEE94C51DF21EB_6DE53E19132D2675_6029_UN,N(C(C1CCC1)C2=CC=NC=C2)[S](C3=CC=CC(=C3)CCO)(=O)=O,PRFJRSZBQPIEKQ-UHFFFAOYSA-N
-D94D9463D97CBED9_C513A8F4F5E2120B_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(C2CCNC2)(C)C)=O,MSLWREOJOOEUFV-UHFFFAOYSA-N
-DA050C492499C605_341594D66917EE91_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3(CC(N(C)C)=O)COC3,UKLRBXPJNLBPIT-UHFFFAOYSA-N
-DB124B828CEDCB25_C98F895128523E37_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2N=C=O)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,MOPZNUFVFQRWFJ-UHFFFAOYSA-N
-DD0C18CDFD36207A_0789308509D6E695_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)CC4(CO)CCC4,MWMCEMUDSVNALV-UHFFFAOYSA-N
-DE6EF30069C9C718_7C012602CAF4DEEC_6038_UN,CC(NC(C1=CC(=C(OCCOC)C=C1[N](=O)=O)OC)=O)C2=N[NH]N=N2,NTSDXDDDSGCCQC-UHFFFAOYSA-N
-DE8CF62E12B84229_05A544E1A57BDBE3_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CC(=C(C(N3CCN(C)CC3)=O)C=C4)C)(=O)=O)C=C5,WLQAKAFDWJBYHJ-UHFFFAOYSA-N
-DF896556D19B3886_4FAFBF06288630AB_6035_UN,CC1=CC(=CC=C1)C(OC2=CC=C(C=C2)O[P](=O)(O)O)C3=CC=CC=C3,SMFYNAOEDOQZNB-UHFFFAOYSA-N
-E68D5EFBA9E00206_26D829C1441626F6_6029_UN,N(CC1(CC1)C2=NC=CC=C2)[S](C3=CC=C(C=CCO)C=C3)(=O)=O,RDFAYIZMNXBKNT-UHFFFAOYSA-N
-E73C0988EFAE46E2_BDC246CD024BC6E6_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NCCC3=CC(=C(OC)C=C3)OC,FJRLLJSWZUXUQR-UHFFFAOYSA-N
-E9206E6CA2A554ED_9C68BE83EEDC16F1_6038_UN,COCCOC1=C(C=CC=N1)COC(=O)C3=CN2CC[S](=O)(=O)N=C2C=C3,PRKPMTXMBKVUPB-UHFFFAOYSA-N
-EBF570DC68F13CBE_46DB0205A44A6B60_6029_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=C[N](C2CNC2)N=C3)(=O)=O,YTINJZVXFOKJJT-UHFFFAOYSA-N
-EF5460C8D3B64863_788CBCD84B088856_6029_UN,N(CC(O)C1=CC=CC=C1)[S](C2=C(OC)C=C(C=C2)C3CC3)(=O)=O,NALHSEAJQVOIOL-UHFFFAOYSA-N
-EF8F3E1483C2AFAF_D2E5526D2AADD221_6035_UN,C[C@H](OC1=C(C=CC(=C1)F)[S](=O)(=O)Cl)C2=CC(=CC=C2)Br,XYTZVSSIDKIYIK-VIFPVBQESA-N
-EFA81286A9F2090D_3713B884C454BF2D_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,SHDNTDXMRXNYDY-UHFFFAOYSA-N
-EFEAC1F05D50FC55_A19797300D887416_6003_UN,OC(=O)C2(OC1=CC=C([S](C)(=O)=O)C=C1)CCC(CC2)C(F)(F)F,UPIUEMCDLWUEER-UHFFFAOYSA-N
-F0DEBBE5E7194D2A_8A97F0A42363AA0F_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=NC(=N[NH]3)C4CC4,NTZKIKGCETXPSL-UHFFFAOYSA-N
-F0DF73031C6728F6_852E5F2FCA3A21B1_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C(=O)N2CCOCC2)NC3=C(C)[N](N=C3)C[Si](C)(C)C,JWZXOKIQIRFCCD-UHFFFAOYSA-N
-F3B012B1313FFA69_4ABAAE7AB98D8C10_6035_UN,O(C1CCN(CC1)C2=NN=C(C=C2)Cl)C3=C(N=CC(=C3)F)[N](=O)=O,BWPGNSNWPGZDMS-UHFFFAOYSA-N
-F3CCE56AF0D56459_67ABCE746D8AB69C_6029_UN,N(C1CC(C1)C2=CN=CC=C2)[S](C3=CC(=CC(=C3)C#N)CO)(=O)=O,ZOJMXVZLWOJJBN-UHFFFAOYSA-N
-F43305534291BA62_5E6C0B4578266972_6029_DP,N(=C1N(CC2=C1C=CC=C2)C3=CC(=CC=C3)OC4=CC=CC=C4)[S](C6=CC=C(C5(CNC5)O)C=C6)(=O)=O,NRHIHSRYKIOBPS-UHFFFAOYSA-N
-F4FDE2B42EB7D15B_6AE19AF5A92AAE11_6029_UN,N(C1(CC1)C2=CC(=CC=C2)C#N)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,RTJSWLJRRCDSRK-UHFFFAOYSA-N
-F6A367E86AEECEEC_C003A57AB6EEE83E_6026_UN,ClC1=CC(=C(C=C1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCCC3)C)C4CC4)Br,RNZGXFQVDLAJFY-UHFFFAOYSA-N
-F7A52C7B710FD920_7CE8551B3B6C60A2_6029_UN,N([C@H]1[C@@H](CCC1)OC2=CC=CC=C2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,XZWLRWCRLGHYJW-RTBURBONSA-N
-F7D0C341BC7B2AE3_B4A8B4EB06B0A18D_6029_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C4=C(C)C=C3OCOC3=C4)(=O)=O,CWYLSDJQRFRECK-UHFFFAOYSA-N
-FBDE4FB90A88392D_DD49F1044204D3A6_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NCC3(CCCCCC3)C4=CC=CC=C4,UXTUWCSHTGHJDF-UHFFFAOYSA-N
-FDF02EC7CDD1CED6_B853311676C9D57D_6029_UN,N(C1(CCCCCC1)C2CC2)[S](C4=CC=C(OC3=CC=C(OC)C=C3)C=C4)(=O)=O,CANRBORJBCOHAZ-UHFFFAOYSA-N
-FED1EFBA56A724A8_256C6E6B9D183692_6038_UN,NC2=NC(=O)C1=C([N](C=N1)COCCOC(C(C(N(C)C)=O)(C)C)=O)N2,CFEJVEMXOJSGSP-UHFFFAOYSA-N
-rxn:1:49457:25071,Cc1c(N2CCC(=O)NC2=O)cccc1-n1cc(C2CC(=O)N(c3cccc(CC(=O)N(C)C)c3)C2)nn1,KLEGSWZJVKRTCI-UHFFFAOYSA-N
-rxn:1:51896:530,COc1ccc(C=C2SC(=O)N(Cc3cn(C4CCN(Cc5nc(C(=O)O)co5)CC4)nn3)C2=O)c2ccccc12,NRLIOXDWMXMGIE-UHFFFAOYSA-N
-rxn:1:52917:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(C5=C(Cl)C(=O)OC5NC(=O)c5ccccc5)nn4)cc(=O)c3c2)CC1,YYGGNJTWBIYFPO-UHFFFAOYSA-N
-rxn:1:59808:16547,COc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5cccn5-c5ccc(OC)cc5)C4=O)nn3)CC2)cc1,XIXOMCCSVHYXRM-UHFFFAOYSA-N
-rxn:1:59808:29373,COc1ccc(C(=O)N2CCC(n3cc(-c4c(C)cccc4C(=O)N4CCC(OC)CC4)nn3)CC2)cc1,AOVBZXXIKTZBBW-UHFFFAOYSA-N
-rxn:1:60226:12971,COc1nc(Br)cnc1NC(=O)c1cccc(-c2cn(C3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nn2)c1,DTLJXNIEUBDABJ-UHFFFAOYSA-N
-rxn:1:60226:13522,CC(=O)N1CCC(C(=O)N2CCC(n3cc(-c4cccc(C(=O)Nc5ccc(Br)cn5)c4)nn3)CC2)CC1,BBDDSSFUZXNCGZ-UHFFFAOYSA-N
-rxn:1:60226:13525,CC(=O)N1CCC(C(=O)N2CCC(n3cc(-c4cccc(C(=O)Nc5cc(C)nn5C)c4)nn3)CC2)CC1,CSIVBUBITQFGDK-UHFFFAOYSA-N
-rxn:1:60226:13546,CC(=O)N1CCC(C(=O)N2CCC(n3cc(-c4cccc(C(=O)Nc5c(Br)cnn5C)c4)nn3)CC2)CC1,KTMXWXSXIKHJAC-UHFFFAOYSA-N
-rxn:1:60313:28595,CN(C)c1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5c(F)cccc5Cl)C4=O)nn3)CC2)cc1,QNMIFCRHVAFIHC-UHFFFAOYSA-N
-rxn:1:60314:10795,CCOc1ncccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4cc(OC)ccc4OC)C3=O)nn2)CC1,VAKZSHNVAQODCO-UHFFFAOYSA-N
-rxn:1:60315:10795,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5cc(OC)ccc5OC)C4=O)nn3)CC2)cn1,BIVAKAWFUXIGGQ-UHFFFAOYSA-N
-rxn:1:61441:788,O=C1CCN(C(=O)c2ccc(Cn3cc(CN4C(=O)SC(=Cc5ccc6c(c5)OCO6)C4=O)nn3)o2)CC1,SMRFNFWAEUYXLH-UHFFFAOYSA-N
-rxn:1:62102:29688,COc1cccc(-c2c(F)cc(F)cc2-c2cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c1,CJSQYEMNUZPCKM-UHFFFAOYSA-N
-rxn:1:62119:15216,CN(CCn1cc(-c2cc(=O)[nH]n2CCF)nn1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,JHYUXOIRBJGJCN-UHFFFAOYSA-N
-rxn:1:62760:8337,Cc1ccccc1C(C(=O)O)N1CC(Cn2cc(C(=O)N3CCC(c4cccc(N(C)C)n4)CC3)nn2)CC1=O,AMCPPZBUWCYROM-UHFFFAOYSA-N
-rxn:1:63040:32858,CCc1ccnc(N2CC(Cn3cc(-c4cc(NC(=O)[C@@H]5CCC(=O)N5C)ccc4C)nn3)CC2=O)c1,IHGCCIQSMHHEMQ-BVHINDKJSA-N
-rxn:1:63144:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4ccc(C(=O)OC)cn4)C3)nn2)CC1,MLQYVZGDAVNYSP-UHFFFAOYSA-N
-rxn:1:63181:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4cc(C(=O)OC)ccn4)C3)nn2)CC1,RMXNIVCQMUOUPX-UHFFFAOYSA-N
-rxn:1:63329:551,COc1cc(Br)cc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5cc(OC)c6c(c5)OCO6)C4=O)nn3)CC2=O)c1,JKLMKUCPKQPELC-UHFFFAOYSA-N
-rxn:1:63341:8337,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(c5cccc(N(C)C)n5)CC4)nn3)CC2=O)c2ncccc2c1,DWQBZNREVUBPSE-UHFFFAOYSA-N
-rxn:1:63365:10780,COc1cc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(Br)c5)C4=O)nn3)CC2=O)ccn1,VMDRUGPZWHUBNB-UHFFFAOYSA-N
-rxn:1:63562:9742,Cc1cc(Br)c(N2CC(Cn3cc(COc4cccc(C=C5C(=O)NC(=S)NC5=O)c4)nn3)CC2=O)c(C(=O)O)c1,NRBVJZOKWBJIKY-UHFFFAOYSA-N
-rxn:1:63967:12678,Cc1cncc(NC(=O)c2ccc(-c3cn(CC4CC(=O)N(C5(C(=O)O)CCOCC5)C4)nn3)cc2)c1,YGHUBHMGCUKWBY-UHFFFAOYSA-N
-rxn:1:64317:13463,CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5C(=O)O)C4)nn3)cc2)CC1,XYVDRJOWQQBAHZ-UHFFFAOYSA-N
-rxn:1:64650:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5ccc6[nH]nc(Br)c6c5)C4)nn3)C2=O)c1,ZWZXVNVRRXCEKY-UHFFFAOYSA-N
-rxn:1:65047:13131,COCC1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ncccc5CO)C4)nn3)cc2)CC1,XZLIXZFXRKNIPQ-UHFFFAOYSA-N
-rxn:1:65299:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4cccc(Cl)c4C(=O)O)C3)nn2)CC1,IFAOLDGNAOSGCM-UHFFFAOYSA-N
-02B45A19A99ED2B8_8AF6233084E5FDD9_6038_UN,N(C1=C(C(=CC(=C1F)F)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,LZSPWWYVLZJGBS-UHFFFAOYSA-N
-05E33EFEDC2470C8_AEA82011ABECD4FC_6038_UN,CN(C)C1=NC(=C(C=N1)NC(C2(C(CC)=O)CC2)=O)N,VMOVZXUSGOOGIC-UHFFFAOYSA-N
-0601707323D9F0BD_EBA1B32004FAD14B_6029_UN,N(C1CCN(O)C1=O)[S](C2=CC=C(C(CC(OCC)=O)=O)S2)(=O)=O,OOFCRJZFZHAJBU-UHFFFAOYSA-N
-06D2BBB403EEB1F8_9632595616114091_6038_UN,N(C1=C(C=C(C=C1)C2CCOCC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,IBWHPESMZPHSHU-UHFFFAOYSA-N
-06FB6D6284D3C109_66C317CE3369A2CA_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)CO)[S](C3=CC=C(C=C3)C4CC4)(=O)=O,HYSGZWZSFLJCHV-UHFFFAOYSA-N
-07CDE6806047A311_7C0273A6DD29FD9A_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(C(CCC(OC)=O)(C)C)=O,DVSIJNWPPSEKCI-UHFFFAOYSA-N
-0A3B8748D5F2B0BA_A8CF8B6A4985FD32_6029_DP,CCN(CC1=C2C(=CC=C1)OCO2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,KEAWUCMOFVQTTJ-UHFFFAOYSA-N
-0C84D83B4E087811_897CDF9BD56EF7E7_6041_UN,O[S](=O)C1=C(C=CC=N1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,JIUAOBIUNDXJJX-CYBMUJFWSA-N
-0D1DE559786AF2E7_A200445F8AD858DB_7022_UN,C1(=CC2=C(C=C1)OCC2)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,GHYSBPYPLMUXKC-UHFFFAOYSA-N
-1376569A557DF238_62529B07B42C0BFA_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,PPDTVZIICOLULM-UHFFFAOYSA-N
-161AD641584975BB_6D17673717B498B1_7019_UN,C(CCC2=NC1=C(C=CC=C1)[NH]2)=CC3=CC=CC(=N3)C#C[Si](C)(C)C,VBZQCQAJHWOJTH-UHFFFAOYSA-N
-16A8857906D26CE5_F2C5F7B8F60797A5_6041_UN,O[S](=O)C1=C(N=C(C=C1)N[C@H]2C3=C(OC(C)(C2)C)C=CC(=C3)F)F,XZVFZLGFQFGHDM-LLVKDONJSA-N
-19352011A2248AA6_7FFB77F13967BD5C_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=CC=NC(=N3)CC(C)C)=O,GHISRCRXUXYFFU-UHFFFAOYSA-N
-1A6B3A65AA919886_1BBE7AC06EA97D4C_6006_UN,CC1=CC2=C(C=C1)C=CN=C2C3=CC=C(C=C3)C4(O)CCC4,VEOQVEVXELZHCQ-UHFFFAOYSA-N
-1AC29FDA4057BB64_E87D3087DEA8F3A5_6029_UN,N(C(CC(=O)O)C(=O)O)[S](C1=CC=CC(=N1)[N](=O)=O)(=O)=O,JBTHMOFLOVFZFU-UHFFFAOYSA-N
-1B1A51D12A300088_4B9C630E0AC8569F_6034_DP,C[Si](C)(C)C#CC1=C[N](C2=C1C=CC=C2)CC(C3=CSC(=N3)C)N,CRIQDSQDWDPTPF-UHFFFAOYSA-N
-1DAB48C32C48D19F_BFF36CEDFFF59548_6028_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(F)C=CC=C2Cl)(=O)=O,VYPXDYVTHCIZFF-UHFFFAOYSA-N
-1EF361CFA1C179A4_A80E5BE0DE3BEDB0_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4)C,GMDKBEGAMMWSPL-UHFFFAOYSA-N
-2143E1259B123724_DC562D59CC8D7BCF_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(O)C=C5)(=O)=O,CAZLNYLULUTTSJ-UHFFFAOYSA-N
-2216C7ECC35326AB_E9B8C92907548718_6029_UN,N(C1=C(CCC1)C#N)[S](C2=CC=CC(=C2F)C[S](=O)(=O)Cl)(=O)=O,XGIUXZQYKSTMKO-UHFFFAOYSA-N
-2288743D4D477CEB_503F1FF9A12F762D_6029_UN,CN1C(=NCC1)C2CN(C2)[S](C3=CC(=C([N](=O)=O)C=C3C(F)(F)F)F)(=O)=O,IRKMROQDYWUBEN-UHFFFAOYSA-N
-22AF2BC0526709F6_9F234C8AE770FEB0_6029_UN,N([C@@H]1CC[C@H](CC1)C#C)[S](C2=CC=C(C(C(F)(F)F)(F)F)C=C2)(=O)=O,PAPOJTYHDUWVBM-AULYBMBSSA-N
-230A1AFFDFBE7227_3BF465408C631246_6039_UN,CC4=CN1C(=NCC(C1)OCC(N3CCN(C(C2=CC=C(F)C=C2)C#N)CC3)=O)C=C4,WKMHCIBAZMBGCU-UHFFFAOYSA-N
-2457790F3D7BDD23_3A3D11AB61CA6C54_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,SAJUZINVMOGFLD-QZTJIDSGSA-N
-24A4DB5D02FF6D15_C9773142173D88D0_7022_UN,C1(=CC2=C(C=C1)OCC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,WDPMVRLJXKNBFD-UHFFFAOYSA-N
-27765FD446240353_6970C23D6AC0E9CF_6038_UN,CC(NC(C1C(C=C(C)C)C1(C)C)=O)CN2C(OCC2)=O,ZNFYVITZNGVZLG-UHFFFAOYSA-N
-2AC8F5989A0A126D_21B4C6ACEAD878AE_6041_UN,FC1=CC=C(C=C1)C4=CC2=C(C(=NC=N2)NCC3(CC[N](C)(CC3)=O)[S](=O)(=O)C)S4,YOJAHENTMIRAIA-UHFFFAOYSA-N
-2B057C19D156CDCE_D45395CED8BD0880_6038_UN,CC(C)C(NC(C2=CC1=C(COB1O)C=C2)=O)C3=NC(=C[NH]3)C4=CC5=C(C=C4)OCO5,WHHNFVUAZLYNHF-UHFFFAOYSA-N
-2B5676DAB1D0127C_C5A56ED7C6B9AC9B_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(OC)C=NN=C5)(=O)=O,OVSXCCGVWWHMGC-UHFFFAOYSA-N
-2DA05BC869482AB0_A12A519F347E97F6_7019_UN,FC(F)(F)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C=CC3=C(O)C=CN=C3,YBZHAQYQUFGSQQ-UHFFFAOYSA-N
-2EB2D2A41D1A9AA1_273537B60201ECF7_6041_UN,O[S](=O)C1=CC(=NC=C1)NC3C2=C(C(=C(C)C=C2)C)OC3,QAKANWSAGQRRSI-UHFFFAOYSA-N
-301265A978D8910C_976801F87D52D145_6041_UN,O[S](=O)(=O)C3=NC1=C(C=C(C=C1)NC2=C(C)[N](N=C2)C[Si](C)(C)C)[NH]3,BSQAJLYHCPGNRL-UHFFFAOYSA-N
-3135715D502F973C_FD7682243D3E898A_6031_UN,O(C(=O)C1CCN(C1=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CN=C(C(C(C)C)C(C)C)C=C3,WQERPTYVPIDLPC-UHFFFAOYSA-N
-31BB6A26C4EC4ED9_268BA6613B8A6D33_6005_UN,Cl[S](=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl,LVYJTKNYHNRTES-UHFFFAOYSA-N
-31C8617AFB0D32C8_0DB821821B9B1EA5_7022_UN,C1(=CC=C(O1)C2CC2)OC3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,OWSLKUVKBWIPHT-UHFFFAOYSA-N
-33A7AD8F618CE42B_86771F67AED06C91_6038_DP,N(C1=CC2=C(N=C1)NC(=O)CO2)C(CC(C(O)=O)=C)=O,CFZORSIZJHTQLI-UHFFFAOYSA-N
-36737BE9E92CFA3B_AD0127F137A89388_6038_UN,CCOCCN2CC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)C2,CVTIUHFBKFAQCF-UHFFFAOYSA-N
-3884735D24C69B06_BAD6869B3BAA18BF_6029_UN,CCOC(=O)C(N[S](C1=C([N](=O)=O)[NH]C=N1)(=O)=O)CN(C)C,GEWRZANGXMCIDK-UHFFFAOYSA-N
-3895FD144DC4E921_C14FEC19924974FD_6038_UN,N(CCCCCN1C(C=CC1=O)=O)C(C2=CN=C(N(C)C)C=C2)=O,LQHGBKHRGDBQTJ-UHFFFAOYSA-N
-39093FA75469CF54_BCC3F5EC748E7D6D_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2CC(C2)[N]3C=NN=C3)[NH]4,WEFNUAHKNQODDM-UHFFFAOYSA-N
-3AD5FA72309A647E_C1AA14FF11836072_6038_UN,COC(=O)C[C@@H](NC(C=C([P](CC)(=O)O)C)=O)C(C)C,AHSPLIJKDOUVRO-LLVKDONJSA-N
-43A7E9954B25382E_D20758AC0BB986F9_6041_UN,F[S](=O)(=O)C1=NC(=CC=C1)NC3C2=C(C=C(OC)C=C2)OCC3,ZORSTHYZYHBWMS-UHFFFAOYSA-N
-468493D2C1CED79B_1E24CDA61EB93577_6041_UN,CC(C)C1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCCC4)F,OIIQVEXEXQLXHO-UHFFFAOYSA-N
-4717DBD042194E12_F710CB10594303AE_7022_UN,C1(=CC2=C(C=C1)OCC2)OC3=C(C=C(C=C3F)F)[S](=O)(=O)Cl,MJZXHLRZLLMZHS-UHFFFAOYSA-N
-4804B07007C9DC8C_5E5501A80896744E_6029_UN,C(N(CC1=CC2=C(C=C1)OCO2)[S](C3=CC=C([S](Cl)(=O)=O)S3)(=O)=O)C4CC4,HEYRRKLFEAZIIE-UHFFFAOYSA-N
-49383EF5ED4CB0CE_2C94ADC2566F244D_6038_UN,COC(=O)C(C)(C)C(NC(C(N(C(C)C)O)=O)=O)C1CC1,NONDTZVEYICGJV-UHFFFAOYSA-N
-4CBAF7D5A97BA534_A33CA895816F8C53_6038_DP,O(C1=C(C(=CC=C1)C2=CN=CC=C2)F)C(C(C)=C3CNC3)=O,QZBLEMRGSPCVKZ-UHFFFAOYSA-N
-51C0F64B136B770E_214DEB1578A840F9_2201_UN,C[Si](C)(C)C#CC2=NC1=NC=NC4=C1C(=C2C3=CC=CC=C3)C=CN4C,ULIGCAZAELLQOL-UHFFFAOYSA-N
-52628D47CAD71596_91BF2D5B215A7220_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)CC(CC=C(C)C)(C)C=C,UOTXOIXMYCHQPR-UHFFFAOYSA-N
-55DCC13A8E0AB0B5_EB4A56D7BB92EBE9_6029_UN,ON(CC=C[P](=O)(O)O)[S](C2=CC1=C(C(C)(C)CO1)C=C2)(=O)=O,DUBHQECHOOZQRJ-UHFFFAOYSA-N
-58DD6D3E24EE8173_E93B2B95E8F07FCF_6029_UN,N(C(C1=CC=CC=C1)C2(CCCCC2)CO)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,WRHRBKXJBPMEEE-UHFFFAOYSA-N
-5941D50F6C9B64E3_01166A8C48E97921_6038_UN,CCC2=C1[NH]C=C(C1=CC=C2)CCNC(C3=CN=C(OC(C)C)C=N3)=O,VGZQGZKATFCPLS-UHFFFAOYSA-N
-5B6B572BC5F6528B_EEF922B4462F183D_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O)C,GOUQGPKAHCUUDY-UHFFFAOYSA-N
-5BDACCD94247DD2D_7BF430E25758EBFF_6041_UN,O=[N](=O)C1=C(N=C[NH]1)NC2=C(CC)[N](N=C2)CCC(C)C,ZUHMRDNCGRFFJJ-UHFFFAOYSA-N
-5D28D8BD4F54C91F_AFD38443D31A19B4_6039_UN,O(C1=C(C(=NC=C1)Br)F)CC(NCCOCCCC)=O,SQLLOKJBIDHOPC-UHFFFAOYSA-N
-5DE21B1F2C41752F_64DC60E3074E035C_6005_UN,CC1=C(C=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3)O,FHAWNNKRKKJWHL-UHFFFAOYSA-N
-5EAE9237C2C67F81_28487D3B36C919AA_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](CC(C)C)N=C3)=O,MDHPVWNWXVZUAW-UHFFFAOYSA-N
-604078F5CAE44784_66E72B4A937451EC_6041_UN,CC(=O)C1=CC(=C(N=C1)NCC2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)F)C,MXBCLDQLIRDMNA-UHFFFAOYSA-N
-61F302494BE3AEE0_727D043BB665BBF5_6038_UN,CC(C)OC(=O)[C@@H](C)NC(C=C[P](OCC)(=O)CC)=O,WKCURBVJHACOLX-UAPALYRASA-N
-63D04A9E457A4531_05675DBF0D1ABF25_7019_UN,FC(F)(F)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C=CC3=CN=C(O)C=C3,NMRSPFYVHHIUDC-UHFFFAOYSA-N
-6496F85CE2621E32_AD2B5A01557F251F_6038_UN,N(C1=C(C(=CC=C1)Br)I)C(C2=N[NH]C(=C2)CCCCC)=O,GQOHLGSVDLPWHS-UHFFFAOYSA-N
-64FB43AE8D2380DA_FE35771D7B4A9D26_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)[S](=O)(=O)Cl)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,NGPJJANGTXPTGJ-UHFFFAOYSA-N
-65A67EB80BE3F83C_EB4DE5D31F41729D_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C(C(O)=O)N=CC=N3)=O,GSYJQYDQMGWMIW-UHFFFAOYSA-N
-670A30551D9825B9_78FAB9AC7F482939_6041_UN,CC2=C1N=CN=C(C1=CC=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,UMXZECZADFGNAI-UHFFFAOYSA-N
-68B87D633FF914B5_EB6793780BF8F107_6041_UN,CC2=C1N=CC(=CC1=CC=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,YJFJAQHDEIJPMT-UHFFFAOYSA-N
-6988F57063797406_DEB529851A8228CC_6029_UN,N(C(CO)C(O)C1CCCCC1)[S](C2=CC=CC(=C2)C(C)C)(=O)=O,KGYKOEKPXNIMHS-UHFFFAOYSA-N
-6B6F135FC935F780_8E1E00A49C53A5BC_6003_UN,CCC2(COC1=CC=C(C(CC(C(OC)=O)=O)=O)C=C1)C(=O)NC(=O)NC2=O,YKZMIHDEVYLEQQ-UHFFFAOYSA-N
-6BCCDEA41E9CFB44_F2DCC07A75F90A99_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,KKNZAMINVLIQLG-UHFFFAOYSA-N
-6C64800C6E883170_1DAB08AF0A450847_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCCC2)C(=CC=C3)F)[S](=O)(=O)C,FILVEEVBABLHEU-UHFFFAOYSA-N
-6F2A16B1EDC40FEB_54BB3181D9DFD5B2_6029_DP,FC1=C2C(=CC=C1)CN(CCO2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,OKJXBEZVQSFFRG-UHFFFAOYSA-N
-6F640C75E70E7FC4_64079F51555C6154_6038_UN,CCOC(=O)C(=CCNC(C1=C(NC(OCC)=O)SC=N1)=O)F,KRBOOINLRNWENP-UHFFFAOYSA-N
-6FE3EFBB8739CEEA_887ECB967C8A579C_6041_UN,CC2=C1C=CC=C(C1=NC=C2)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O,NSQHWHMNMQESCS-UHFFFAOYSA-N
-7174CC2E999D2D5F_EC44A3ABEA01968C_6038_DP,N(C1=CN(C(C=C1)=O)CC2=CC(=C(C=C2)Cl)Cl)C(C3=N[NH]C=C3C4CCNCC4)=O,OLHUHMVYAQJMNF-UHFFFAOYSA-N
-72CFBCB5F51D6B74_36E5E4106C45F37A_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC=C(B(O)O)C=C2)(=O)=O,CQSNKPQDOPMPKU-UHFFFAOYSA-N
-739EFB68263A1199_D715135B8308044C_6005_UN,CC1=CC(=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3)O,PTYOZTWFNLUBSN-UHFFFAOYSA-N
-74BCA8DCA1B29D83_A51427CC165CDFBC_6029_UN,O=[N](=O)C1=N[N](C=C1I)[S](C3=CC=C(N2CCN(C)C2=O)C=C3)(=O)=O,KRGSTQVGWBTNQP-UHFFFAOYSA-N
-7530688DC156D277_3619E53462BECE94_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=CN=C([S](N)(=O)=O)C=C4)=O,BUDRMSINXYZMLV-UHFFFAOYSA-N
-768627A75ED6D851_60A7F40E32E58CC5_6038_UN,N(C1=C(C=C(C=C1)N2CCCCC2)F)C(C(C(C)C)C3=CC=NC=C3)=O,OZHHYXUKHDZZQK-UHFFFAOYSA-N
-76BAE1791196BCA8_6044F9876AD36366_6038_UN,CN(C)C(=O)N3CC(OC(C1=NOC(=C1C[N]2C=C(C=N2)[N](=O)=O)C)=O)C3,UJKMASNGDQZGBH-UHFFFAOYSA-N
-7719E563AE96188E_0477D4FAB62C8392_6041_UN,CC1(CC1)C2=N[NH]C=C2NC3=C(C=CC=C3)[As](=O)(O)O,AVFFXADFOKQBGT-UHFFFAOYSA-N
-7A41A90D6124205D_A0B3255684F4344B_6038_UN,CN(C)C1C(C(C1)NC(C=C([P](CC)(=O)O)C)=O)(C)C,GKROMFMNLCCBEX-UHFFFAOYSA-N
-7D3FA8287B6DF006_D6C9A843466D119D_6041_UN,CC1=NC(=NC(=C1)NC2C3=C(OCCC2)C=C(C=C3)F)[S](=O)(=O)C,IHOHWALEPHAZGB-UHFFFAOYSA-N
-7EFA4A05D234198B_CB9FB26827DCF477_6038_UN,N(CC[N]1N=CC(=C1)[N](=O)=O)C(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,MAUWXJVGYXEZBI-UHFFFAOYSA-N
-813BEDF7E3186538_2407558A444FB859_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NC(CC)(CC)C#C,RUJIPSSWWATZEB-UHFFFAOYSA-N
-82AA3F99BF509E8A_A3221CB4DB6ABBB6_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC(CC2=CC=CC=C2)C3CC3,AATDEAIEBHQSRD-GGYWPGCISA-N
-85E5D6B7261D1C86_6EF68AF3747697AE_6029_DP,N(N[S](C2=C([S](Cl)(=O)=O)C=C1OCCOC1=C2)(=O)=O)CC(F)(F)F,CCFRBJFKRCUMEL-UHFFFAOYSA-N
-860881F06D8139E8_950DCD28C656B7D0_6038_UN,CCC2(COC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O)C(=O)NC(=O)NC2=O,YWWQXBLFBHBRBH-UHFFFAOYSA-N
-86786DB9879AFF9A_FA5B204B55E46FB0_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C(C)C3=NC=CC=N3)=O,UAOMQNWQZVJQTA-KZUDCZAMSA-N
-87111215425E5ADF_982611992B24BBF6_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=NC=C[N]3C(C)C)=O,AAKCNLLVFBVNEH-UHFFFAOYSA-N
-874EFED685E1A06A_71913A752AF08075_6041_UN,OC[C@H](O)C1=CC=C(C=C1)N[C@H]3C2=C(C(=C(C)C=C2)C)OCC3,SAJUZINVMOGFLD-MSOLQXFVSA-N
-8917606346EF95BF_BD02E71DDED09F22_6035_UN,CCOC(=O)CC(OC2=CC1=C(COB1O)C=C2)C3=CN=CC=C3,KTDJWADZYFDHGD-UHFFFAOYSA-N
-89EF83E73E82F8E9_F87B0F686DD47A5E_6031_UN,O(C(=O)C(=CC1=C[NH]N=C1C2=CC(=CC=C2)Br)C#N)CC3=NN=C(C(C)(C)C)S3,ORSONFCVUKHMHC-UHFFFAOYSA-N
-8B91B7BB0533E3C8_CC5663785E86958A_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=C(C=C3Cl)Cl)[S](=O)(=O)Cl,MOJMNXKEEQIOSK-UHFFFAOYSA-N
-8D4627FA23E29230_3B0B35EF51E68B24_6004_UN,CC1NC2=C(NCC1)C=C(C=N2)C4=CC=C3C=CC=NC3=C4O[Si](C(C)(C)C)(C)C,ICBCESPNYWFTKU-UHFFFAOYSA-N
-8DB2DE2C240E334B_F2EE6F0491FAA1F7_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(N3CCCC3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,YSCDXHBGGKLMBO-UHFFFAOYSA-N
-8F608EA767476542_3D1D46528A34078D_6003_UN,CC(C)(COC1=C(C=C([N](=O)=O)C(=C1)OC(F)F)F)N2CCNC2=O,NWDMTLCPLHONHL-UHFFFAOYSA-N
-9006AD9FE66C6AF0_4B91CFF98BE6C0E9_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NCC2(CN(C(C(C)C)=O)C2)F,JDERJBNNQDTWMB-UHFFFAOYSA-N
-90FA06FD46554F60_5734DCEDA846E848_6029_UN,N(C1(CCCCC1)CC2=CC=CC=C2)[S](C4=C(CC3(O)CCC3)C=CC=C4)(=O)=O,QRVUQTSWIBSKQL-UHFFFAOYSA-N
-93DAA7A18389E4B1_EAF0AA862CB707FD_2875_UN,O[S](=O)(=O)C1=CC=C(C=C1)[N]2N=NC(=C2)C3(F)CNC3,FTIQSGQFCUWLRZ-UHFFFAOYSA-N
-96B19E5255061626_6A3CCCC0C119C4CE_6038_UN,CC(CNC(CCC1(C)N=N1)=O)C2=CN=C(C=C2)N(C)C,DFDNFUYCLJBRHI-UHFFFAOYSA-N
-976C871BBEAB7CDD_FACBC4F9E4402513_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=NC(=NC5=C4C=C[NH]5)C)=O,GBWAXOYENCIVAK-UHFFFAOYSA-N
-994AEB90A62B7774_A0D045980A688FA8_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=C5N(C)CC[N]5N=C6)(=O)=O,OMXIOSPGSAQTGB-UHFFFAOYSA-N
-9B222FE672D1F45E_E816F85B7E44318F_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,QWARLQIPVOWICI-ZFWWWQNUSA-N
-9DB9567AF9C1A7FA_5210352B41FC2129_6041_UN,C2(=C1C=CC=CC1=NC=C2C#N)NC(C(C)C)(C)C#N,WTOQFUMTWWMVKW-UHFFFAOYSA-N
-A003BEDCAA710438_6FCEB8375DCE9C76_6038_UN,CC1(C)CCC(=C1NC(C(C(C)C)[N]2N=CC(=N2)N)=O)C#N,VRZIXQIBKWQWID-UHFFFAOYSA-N
-A0A28E4028278DB3_A37C575A4116FE9B_6038_UN,CN3C(=O)C(=C(NC(=O)C2=CC=C(C[N]1C=CC(=N1)[N](=O)=O)O2)C34CCCC4)C(=O)N,ANUWGUPGVTVNBN-UHFFFAOYSA-N
-A353527F42DF94E0_3C32B266A0EA687F_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)C3=NN(CC3C)C4=CC=CC=C4,CKFWEDCVWIBFAQ-UHFFFAOYSA-N
-A5106E1727B383DE_DB9A351328E34B2F_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(C(C)C)N=C(C=C4)C)=O,FEKQOMOQXVFQSO-UHFFFAOYSA-N
-A766B2A1A685F416_3EB27AEE0A02F8B2_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C([N](=O)=O)C=CC=C2CBr)(=O)=O,ZUBFNBZSSVBRKK-UHFFFAOYSA-N
-B0B12ED1B2183130_F7668622828776BA_6005_UN,CC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)O,YQNBECLDUWJELD-UHFFFAOYSA-N
-B410FE526607AB0E_64BE16D1C968B9DD_6034_UN,NCC1CCN(CC1)C2=C3C(=NC=N2)N(C=C3)CC4=CC=C(C=C4)[S](=O)(=O)CC#C,BFVDPPFZMKZTIV-UHFFFAOYSA-N
-B690D28EA433D1A9_BEC0BEC2D99EF2AD_6041_UN,COC2=C(C=C1N=CN=C(C1=C2)NCC3([S](C)(=O)=O)CCC3)F,NSPRWQBOUHGSOT-UHFFFAOYSA-N
-B8A06BB921B03B0C_C0A5E0321156F4C6_6029_UN,OC(=O)C4=NOC1(CN(C1)[S](C2=CN=C3N=C(Cl)C=C[N]23)(=O)=O)C4,RKILVGVDLACVEI-UHFFFAOYSA-N
-BA85DBA60F1E80BA_86353EB818941909_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(C3=CC=C(C=C3)Br)[N]4C5CCCCC5)(=O)=O,BNLZFGZSOAEZLZ-UHFFFAOYSA-N
-BB0FC8E3E6399938_3E5B81DB08D46A05_6041_UN,C1(=C(N=CN=C1)OC2=CC3=C(C=C2)OCO3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,VOLPTEVVELYSBN-UHFFFAOYSA-N
-BBFB507887986C76_45D3E53478C2163C_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC=C(C=C4)C5(CCCCCC5)C#N)(=O)=O,IQVDSBYKMFKHGP-UHFFFAOYSA-N
-BF28AF8F7D3FBCEC_723CA9E3626F50DD_6041_UN,CC2=C(C(=C1C=CC=C(C1=N2)F)NCCCCCC(N3CCN(C(CC(C)C)=O)CC3)=O)C,OAJFOTYIXNCERF-UHFFFAOYSA-N
-BFFEAFBF5D2F92FC_E9936FB940CBE031_7015_UN,N(C(CC1CCC1)C#C)[S](C2=C(CC)C=CC=C2)(=O)=O,QMBLMOREOSLGQY-UHFFFAOYSA-N
-C1CF974B6C27DE7F_E48C426CE7557902_6029_UN,N(C(CO)CC1CC1)[S](C2=CC=C(C(C)C)C=C2)(=O)=O,XCCIGITXFHQSDI-UHFFFAOYSA-N
-C21F618ABF55F15A_2208ED62CC395AD4_7022_UN,C1(=CC=C(O1)C2CC2)OC3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,MCLRXNBLFMWPHL-UHFFFAOYSA-N
-C2544841DF2343E9_8C167398A6695E26_6039_UN,CCN(CC)CC#CC(C)OCCC[N]1N=C([N](=O)=O)C=C1,GQGUNLXGEATVLA-UHFFFAOYSA-N
-C26ED476CF7B609F_72FA3AD15B0CC054_6029_UN,O=[N](=O)C1=CC=C(S1)C(=O)N2CCN(CC2)[S](C3=NC=C(B(O)O)C=C3)(=O)=O,YBHBPPOPGZHQMM-UHFFFAOYSA-N
-C2C1AD1890E4591F_C40C21F01C044661_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=C(OC)C=C(C=C3)I)(=O)=O,ZABHCKNVZFGUJV-UHFFFAOYSA-N
-C38628F1F2AD0F14_165F5C523D62013D_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(N=C(C(N(C)C)=O)C=C4)C)=O,QSXQXYXHSGHTPW-UHFFFAOYSA-N
-C67539D4A11C7347_2295EAD90D0FDAF4_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC2(CC2)[N]3N=CC=N3)[NH]4,GSVJMQNROQMJDS-UHFFFAOYSA-N
-C7591ED47F7EF384_6957282198422CAB_2201_UN,C[Si](C)(C)C#CC2=NC1=NC=CC(=C1C=C2C3=CC=CC=C3)C,IIOCHLIPLKOMLO-UHFFFAOYSA-N
-C798416FD46112BF_B411F9C52DFC1610_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(C(C)(C)C)C=N5)(=O)=O,LGMLMJUHEXGTHC-UHFFFAOYSA-N
-C7ABB86E34DA4D3D_5E5D6C316E210923_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NCC5=C(C[S](N4CCC(C)CC4)(=O)=O)C=CC=C5,BADIBWDGSRPBMK-UHFFFAOYSA-N
-CCCBDC62BBD5517E_A0BBB9F8A68CC4A8_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4=CN=C(C3(OC)CCOCC3)C=C4,DHBXVQAQRAXTFD-UHFFFAOYSA-N
-CD57091108E575A2_4F24A22FE0C75E74_6028_UN,OC(CC1=CN(C2=C1C=CC=C2)[S](C4=NN=C(N3CCCC3)[N]4C5=CC(=CC=C5)Cl)(=O)=O)[S](=O)(=O)O,FGQRKYZSQBSVKO-UHFFFAOYSA-N
-CDBEACDC6B29ADCD_96D99CE811F78F0F_6039_UN,CC(COCC1=C(C(OCC)=O)C(NC(N1)=O)C)C(C)N(C)C,SDIWJCYGHYXSIP-UHFFFAOYSA-N
-D093E75FB91F303F_459F0DC571693D5D_6029_UN,CC2CCN(CCCCN[S](C1=CC(=C(Cl)C=C1)C=C)(=O)=O)CC2,BBNILYWDFJVHFO-UHFFFAOYSA-N
-D188E243A767AB3D_7375AABAC220F676_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)N[C@@](C(OC)=O)(CC=C)C(C)C,LEALWVJDJOAMNJ-AWEZNQCLSA-N
-D259FC0F5E64DF76_B4CC1B5123C44A8E_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C[NH]N=N5)(=O)=O,VVIDSNXAEQYCJU-UHFFFAOYSA-N
-D3A9B245BA4BC2D8_C33C237A6B001BDA_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)C[C@H](C(C)C)NC3=NC=C(C=C3)Br,OYUFAXLGLVEOQD-OAHLLOKOSA-N
-D3ED638A03788357_7ED5703D336F140B_6041_DP,N1CCCN(CC1)C(=O)C2=CN=C(N=C2)NC(C)C3=CC4=C(C=C3)OCCO4,QQXBSUKUBZCANV-UHFFFAOYSA-N
-D84DA7C124A060AF_EE8737CC330F0E76_6035_UN,C[Si](C)(C)C#CC(OC2=C1OC=CC1=NC=N2)CC3=CC=CC=C3,AFGCCITUARBODZ-UHFFFAOYSA-N
-DB7AA50EC84F4761_4657E149F6525643_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC2=CC(=C(OC)C=C2)C3=CC=CC=C3,YNFPCILHTCYTPF-HXUWFJFHSA-N
-DCD2CB4748256BD6_A24EA65309A059E9_6029_UN,COC1=C(C=CC=C1)[C@H]2[C@@H](C2)N[S](C3=CN=NC=C3)(=O)=O,HXLFMODNFYYIJU-QWHCGFSZSA-N
-DED7384443753E7E_CEC9808CC57F7C99_6041_UN,OC(=O)C1=C(C=CC(=N1)OCC=C)NCC(N(CC)OC)=O,XYGMGTKDQZFUIK-UHFFFAOYSA-N
-E149F215EFB4CF9F_3C752801C7711FCF_6029_UN,N(C(CO)C(O)C1CCCCC1)[S](C2=CC=C(C(C)C)C=C2)(=O)=O,NDGGSMUPALFCLE-UHFFFAOYSA-N
-E19BE638F3EC6209_E8D7FE114FF6980F_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)NC3C2=C(C(=C(C)C=C2)C)OC3,WHCIXXRWKHJCGP-UHFFFAOYSA-N
-E265690F083B1311_66250340E4BEC2DC_6038_UN,CCN(C)C(=O)[C@@H](NC(C=C[P](CC)(=O)O)=O)C(C)C,IYWDXDKPBKXQEG-LBPRGKRZSA-N
-E5141961D0381132_03A8FEED9A39BA87_6038_UN,COC(=O)C(=C)C(OC(C1(CCC)CC1)=O)C2=NC=CC=C2,IJMZUNSEDZEXOP-UHFFFAOYSA-N
-E7F299417B9168EF_4BC67614CB427DED_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C6=CC5=C([N](C)C=N5)C=N6)(=O)=O,JWIYYRRZWLIPEE-UHFFFAOYSA-N
-E8B58CA517D84CCC_0E7F742BCB93E380_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CC4(C)CC4)=O,RXBKCDCKDRHSBF-UHFFFAOYSA-N
-EAE1E51FC69CE9A8_1530993B4C4CA6F5_6029_UN,CC1(SC(=NC1)N2CCN(CC2)[S](C3=CC(=C([N](=O)=O)C=C3)OC(F)F)(=O)=O)C,XHIBNNQTIVCWLR-UHFFFAOYSA-N
-ED2B735FDD637C25_654640927E32031F_6029_UN,ON(CC=C[P](=O)(O)O)[S](C1=CC2=C(C(=C1)F)CN(CC)CC2)(=O)=O,UJOFGPXUJUVDDO-UHFFFAOYSA-N
-EDA4C2B5D7085BFC_08FADB64A4B6C230_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4(C)CC(=O)C4)=O,UIXIFNSXTVZPBX-UHFFFAOYSA-N
-EF606710DE6C7078_1B53DB4659675D59_6029_UN,C(N(CC1=CC2=C(C=C1)OCO2)[S](C3=CC=C([S](F)(=O)=O)S3)(=O)=O)C4CC4,ANCHDLMDNAZDCN-UHFFFAOYSA-N
-F12B5F8D1AC34390_0D7D6D59970E1E43_6003_UN,O(CC1COC(=O)O1)C3=CC=C(C(NC2=C(C(O)=O)SC=C2)=O)C=C3,GYHKYVCBNVQTLP-UHFFFAOYSA-N
-F1B5D6BE0EE3EF2B_03E8B6F35582DBD3_6041_DP,N1CCN(CC1(C)C)C2=NC(=NC=N2)NC3=CC=C(C=C3)O[S](=O)(=O)F,DBEQOKUXCGTAQP-UHFFFAOYSA-N
-F37489D3CA137019_F1A6B9813919D64B_6029_UN,N(CC1CCC(F)(F)CC1)[S](C2=CC=C(C(C)CO)C=C2)(=O)=O,TZSFHJXCTVQHKA-UHFFFAOYSA-N
-F396B0254BB5DCB1_1F2A9EF1A83A3950_6041_UN,O[S](=O)C1=CN=C(C=C1)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,NWADAOHKCRPXNA-LBPRGKRZSA-N
-F419C62B54F9D2B9_B2A47456E087B77E_6041_UN,CC1=NC2=C(C=C1)C=C(C=C2C(=O)O)NCC3=CC(=NC=C3)N4CCN(C(C)=O)CC4,FFLNOSODNGPDEP-UHFFFAOYSA-N
-F5E07912CCD856AD_E7AB4EECF79EB24C_6003_UN,O(C(CC#N)(C2=NC1=C(C=CC=C1)S2)C(F)(F)F)C3=C(C=CC(=C3C(O)=O)F)C(F)(F)F,OKSSDKHJYNFVEO-UHFFFAOYSA-N
-F9535D1AC70D7DE0_FF1F33C934009B84_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)CN4C(=O)NNC4=O,KLVQHTRYQBRBNW-UHFFFAOYSA-N
-FA04CBE0AEBA18D3_7DA19C7425D512F8_6038_UN,N(CC1=CC(=C(C=C1)C#N)F)C(C3CCN(C2=NN=C(N)[NH]2)CC3)=O,GIZGEYMOLPQJRT-UHFFFAOYSA-N
-FCC49549FD55B50A_84DF6F4653DDDE15_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C(C(OC)=O)(C)C)C2CC2,IJZKESJXYRPBOU-UHFFFAOYSA-N
-FE7FAA3586658825_02B99AE4DBAB9E04_6041_UN,CC(C)[N]1C=C([N](=O)=O)C(=N1)NC(CB(O)O)C(=O)O,MRKLGVDJXGQSEW-UHFFFAOYSA-N
-FFE5D4FDBE9F18E6_44D2C3E25E4B4AB2_6041_UN,OCC(O)COC1=CC=C(C=C1)NC(C(C)C)C(=O)N2CCCCC2,XQXJUEUJSFFOJZ-UHFFFAOYSA-N
-rxn:1:40189:17843,CC(C)C1C(=O)Nc2c(-c3cn(CC=Cc4cc(F)cnc4Cl)nn3)cc(C(=O)C3CCCCC3)cc21,CIVGACFIXQHGNO-UHFFFAOYSA-N
-rxn:1:44776:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3cnc(N)c(C(=O)O)c3)nn2)CC1,XBPGEOKLLPSTQY-UHFFFAOYSA-N
-rxn:1:48117:9088,O=C(Nc1cccc(-c2cn(CC(O)C(O)c3ccc(N4C(=O)C=CC4=O)cc3)nn2)c1)c1c2c(nc3c(Cl)cccc13)CCCC2,SDKFOORSIKBNNO-UHFFFAOYSA-N
-rxn:1:48511:17836,CC(C)C(=O)c1cc(-c2cn(CCC(O)C(O)c3ccccc3Cl)nn2)c2c(c1)C(C1CCCC1)C(=O)N2,BRBWOIRDAUSUKW-UHFFFAOYSA-N
-rxn:1:50707:15478,CNC(=O)c1cn(Cc2cn(CC3C(c4cccc(CC(=O)O)c4)C3(F)F)nn2)nc1C1CCCC1,QEOZHZQJOKKAOK-UHFFFAOYSA-N
-rxn:1:51001:33198,CC(=O)c1cc(C)c(C2C(Cn3cc(CNC(=O)C4(c5ccccc5)CCCC4)nn3)C2(F)F)cc1O,HVGAAAGUDFZWDA-UHFFFAOYSA-N
-rxn:1:51355:32021,NC(=O)C1=C(c2cn(CC3C(c4ccc(F)c(C=CC(=O)O)c4)C3(F)F)nn2)CCC1,JMJQSHIJOZVRAP-UHFFFAOYSA-N
-rxn:1:51502:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CC4C(c5ccc6ncc(C(=O)O)c(O)c6c5)C4(F)F)nn3)nc2)CC1,IHLDKZSQGZCLRF-UHFFFAOYSA-N
-rxn:1:54197:13567,CC1(C)CCN(C(=O)c2cccc(-c3cn(CCC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)c2)CC1,IYGQTRYCNWHPCK-UHFFFAOYSA-N
-rxn:1:54197:13749,CC(C)(C)N1CC(OC(=O)c2cccc(-c3cn(CCC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)c2)C1,UDFMDJIVWDGBPL-UHFFFAOYSA-N
-rxn:1:54198:29707,CC(C)N1CCN(C(=O)c2ccc(-c3cn(CCC4C(c5ccc(C(=O)O)cn5)C4(F)F)nn3)cc2)CC1,UAQGQVDXVLMRJQ-UHFFFAOYSA-N
-rxn:1:54200:34301,CN1C(=O)CCc2cc(NC(=O)CCc3cn(CCC4C(c5ccnc(C(=O)O)c5)C4(F)F)nn3)ccc21,JXZKRQBAYSENGM-UHFFFAOYSA-N
-rxn:1:54406:33710,CC1(C(=O)Nc2ccc(-c3cn(CCC4C(c5ccc(C(=O)O)cc5F)C4(F)F)nn3)nc2)CCCCC1,ILVGWBDBYOETJF-UHFFFAOYSA-N
-rxn:1:54407:14723,Cc1cc(C(=O)N2CCN(C)CC2)cc(-c2cn(CCC3C(c4ccc(C(=O)O)cc4Br)C3(F)F)nn2)c1,MMKCMRJHMXNQFP-UHFFFAOYSA-N
-rxn:1:54515:34074,CC1(C)CCN(c2ccc(C(=O)NCc3cn(CCC4C(c5cnc(Cl)c(C(=O)O)c5)C4(F)F)nn3)cc2)CC1,HVADVSSEMNIBNF-UHFFFAOYSA-N
-rxn:1:56474:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(F)c(C(=O)O)c(F)c3)nn2)CC1,BNYKJZYDVRFFGP-UHFFFAOYSA-N
-rxn:1:60221:24618,CSc1ccc(C(=O)N2CCC(n3cc(C4CC(=O)N(C(C(=O)O)c5cccc(Br)c5)C4)nn3)CC2)cc1,BYLJMQBTHXBDSP-UHFFFAOYSA-N
-rxn:1:61064:33036,CCOC1CCN(C(=O)Cn2cc(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1,ALRQYTKTURULRK-UHFFFAOYSA-N
-rxn:1:61204:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(C3CN(C(=O)c4ccc(C)c(F)c4)C3)nn2)N1,VYZLQWBIVIMTOJ-UHFFFAOYSA-N
-rxn:1:61244:12974,CCCCC(=O)N1CC(n2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)C1,LSLBTULJAXGXRY-UHFFFAOYSA-N
-rxn:1:61477:33972,CCC(C)(NC(=O)c1ccc(I)c(I)c1)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1,CYQDKKHLOLRQDC-UHFFFAOYSA-N
-rxn:1:61538:10679,O=C(C=C1CCCCC1)Nc1cccc(-c2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)c1,PJOHNSXNUFUCCZ-UHFFFAOYSA-N
-rxn:1:61538:35642,CC(=O)N1CC(NC(=O)c2ccc(-c3cn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)c(C)c2)C1,LGKRULZTGFOZJA-UHFFFAOYSA-N
-rxn:1:62584:13043,CC(O)(Cn1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)cc2)nn1)C1=CCOCC1,YIGIAWXMIWXXBB-UHFFFAOYSA-N
-rxn:1:62648:24878,CC(=CC#N)N1CC(c2cn(CC3CC(=O)N(C(c4ccccc4)C(C)(C)C)C3)nn2)CC1=O,SARHTBIBEMOBPZ-UHFFFAOYSA-N
-rxn:1:63094:12746,CNC(=O)c1cccnc1N1CC(Cn2cc(-c3ccc(C(=O)N4CCN(c5ncc(Br)cc5C)CC4)cc3)nn2)CC1=O,QTWCFGVZNUBKGZ-UHFFFAOYSA-N
-rxn:1:63095:13575,CNC(=O)c1cccc(N2CC(Cn3cc(-c4cccc(C(=O)N5CCN(c6ncc(Br)cn6)CC5)c4)nn3)CC2=O)c1,LAXBISZWVDRJCP-UHFFFAOYSA-N
-rxn:1:63406:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5ncc(Br)c(C)c5C)C4)nn3)nc2)CC1,XSCVLHSOYGUJQK-UHFFFAOYSA-N
-rxn:1:63446:6404,Cc1cc([N+](=O)[O-])c(Cl)cc1N1CC(Cn2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)CC1=O,GJPDWUIVJGJVJO-UHFFFAOYSA-N
-rxn:1:63450:29387,Cc1c(Br)cccc1N1CC(Cn2cc(-c3ccccc3C(=O)N3CCN(C(C)C)CC3)nn2)CC1=O,CVYWPYODAOGHLI-UHFFFAOYSA-N
-rxn:1:63455:29387,Cc1c(Cl)cccc1N1CC(Cn2cc(-c3ccccc3C(=O)N3CCN(C(C)C)CC3)nn2)CC1=O,TWRNAOAZONJXKS-UHFFFAOYSA-N
-rxn:1:63591:24905,CC(=O)c1ccc(Br)c(N2CC(c3cn(CC4CC(=O)N(c5cc(CO)ccc5C)C4)nn3)CC2=O)c1,POMJAXKPJFJDFR-UHFFFAOYSA-N
-rxn:1:63804:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4cccc(C)c4C(=O)O)C3)nn2)CC1,FJVQZNPZVQOBMC-UHFFFAOYSA-N
-rxn:1:63966:34638,CC(C)(C)c1ccc(C(=O)Nc2cncc(-c3cn(CC4CC(=O)N(C5(C(=O)O)CCCCC5)C4)nn3)c2)cn1,PQECDEBBVQNSMA-UHFFFAOYSA-N
-rxn:1:64980:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ncc(C(=O)O)cc5Br)C4)nn3)cc2)CC1,FBYNISRBFXFNRW-UHFFFAOYSA-N
-rxn:2:121258:117066,CC(Nc1cc(C2CCCC2)nn1C(C)C1CCCC1)c1ccc(OS(=O)(=O)[O-])cc1,CVJMAPZZGRQKOQ-UHFFFAOYSA-M
-rxn:2:145633:144916,CC(NC1CCN(c2cccn3c(=O)[nH]nc23)C1)SCC1C(c2ccc3c(c2)CCC3=O)C1(F)F,FBMITNDSJVUVMC-UHFFFAOYSA-N
-rxn:2:69822:133549,CC(C)n1nccc1S(=O)(=O)C(C)(C)CNC1CCC(c2csc(C(C)(C)C)n2)CC1,XHKJILYROMDDIT-UHFFFAOYSA-N
-rxn:2:96190:117066,CC(Nc1c(C2CCCC2)cnn1C(C)C1CCCC1)c1ccc(OS(=O)(=O)[O-])cc1,NSFHXOMECHWATI-UHFFFAOYSA-M
-rxn:3:60638:32413:115085,Cc1cc(C)c(S(=O)(=O)[O-])cc1NC(=O)c1ccc(-n2cc(CCCN3CCN(C)CC3)nn2)cc1C,QGNNDJBDFAZCAR-UHFFFAOYSA-M
-0107BAA112796606_FC13A73D22EA70F2_7022_UN,C1(=CC=C(C=C1)OC2=CC=CC=C2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,GNIIBEXGUBAQIC-UHFFFAOYSA-N
-02FAB6BC3F9E19F2_34A928A5CC8B4B76_6041_UN,OC(=O)C2=C1N=CC=CC1=CC(=C2)NCCC(O)CO,ZBBKRBOBESHSLI-UHFFFAOYSA-N
-03E768F29CE40267_664FF0886607B988_6029_UN,N(OC1=CC=C(C=C1)C#N)[S](C2=CC=CC(=C2)C(O)C3=CC=CC=C3)(=O)=O,BOHYFXWPPOKCRH-UHFFFAOYSA-N
-0433C54DEA40566E_DADFB7E060782355_6038_UN,CC(NC(C1=CN=C(N(CC)C(C)C)C=C1)=O)C2(CC2)C,ZNQSBCJXXGDCNN-UHFFFAOYSA-N
-045766843EABF41D_9B97FAD6116BF5B4_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(N2CC(C)(C)C2=O)C=CC=C3,LCNOWSOYSGUFAD-UHFFFAOYSA-N
-04E04B12618F5831_A8A04BC5E25E0CB6_6041_UN,CC2=C1N=CC=C(C1=NC=C2)NC[C@H](CC(OCCC)=O)CC(C)C,JRXCFSDBOANVND-INIZCTEOSA-N
-0562FD3388F79E49_308D4F968419A8A0_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC(C(OC)=O)CC3=C[N](N=C3)C)C,CSASKSZUCXKBSC-UHFFFAOYSA-N
-063F228A56C6B4F7_E698D5D38448E75F_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=CC5=C(C=C4)CC(=O)CO5)(=O)=O,FQLLPGXYFVCPBY-UHFFFAOYSA-N
-0661876140EB1021_89455CBC2DAAB517_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(C(C(OC)=O)=[N]#N)C=C3)(=O)=O,JNNLNJCLFVOJSN-UHFFFAOYSA-N
-07EB9D7A0AD5DA92_59EDA0B4E3B24A08_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NC(C(OC)=O)CC#CC)[NH]N=C2,KAHHNFAPJGDNCX-UHFFFAOYSA-N
-089154C70852B0C2_DAAA1AAF882A68C0_6039_UN,O(C1=C(C=C(C(=C1)Cl)Br)F)CC2=C(C(OCC)=O)CNC(N2)=O,PKMLMUDRCFNBHR-UHFFFAOYSA-N
-08A3420462C8EE98_50BACC8EAD7867FC_6038_UN,CCC#CCC(OC(C(C(C)C)N1C(=O)C=CC1=O)=O)CC,WIYHRZAPWPMPLX-UHFFFAOYSA-N
-0956ABC83D1595E2_12530F1721FC3F3E_6029_UN,CC(C)(C)C1CC(C1)N(C2CC2)[S](C3=CC=C([P](C)(=O)C)C=C3)(=O)=O,TXKVMLHOLWSFRJ-UHFFFAOYSA-N
-0A439E95BFA9AC9A_35A8D2C9D42BDC09_6038_UN,COC(=O)C1=C(C=C(C(=C1)Br)Cl)NC(C2=N[NH]C(=C2)CCCCC)=O,HKBVORYDLCQQNO-UHFFFAOYSA-N
-0B657A6768ABFAC2_AEF79BE2F85D91E7_6027_UN,N(C2(CC1=CC=C(C=C1)Br)CCCCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DSKAOCSIDJFJLC-UHFFFAOYSA-N
-0BC376936EA9AA1A_7D8F184DEAB7FB92_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,IYGMXQMZLHOBFA-UHFFFAOYSA-N
-0CBB40FF34CFC506_2E5D75B16D074F51_7019_UN,FC1=C(C=CC=C1)NC(=O)C=CC2=C(CO)C=CC=C2,IHWADHWNJXHCOK-UHFFFAOYSA-N
-0CD1B1A36209DF79_F1F40D92C3B039A4_6038_UN,CC(NC(CCC1(C)N=N1)=O)C2=CC=C(C=C2)N3CCN(C)CC3,RXUUTJQYLSLBDR-UHFFFAOYSA-N
-0CF1D888147A1F17_95B4ACAF6577D38C_6038_UN,CC1=C(C=C2C(=C1)N=C[N]2CC(NC(C(C(N(C)C)=O)(C)C)=O)C3CC3)C,AYXZUCKWPLAGIT-UHFFFAOYSA-N
-0D603A4EBC4DFD46_B325E60A0C715360_7019_UN,CC1=CC(=CC=C1)NC(=O)C=CC2=C(CO)C=CC=C2,PDOVRTIZXNLRDR-UHFFFAOYSA-N
-0E610B9996B4051B_BEFC5EE7599EAD53_6041_DP,CN(C1CCNCC1)C(=O)C2=CN=C(N=C2)NC3=C(C(N(C)C)=O)C=C(C=C3)C,OOCOIUPOFRLXPU-UHFFFAOYSA-N
-0E839EF0E30946EC_AD64DC60B46F451F_6043_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[S](C3=CC=C(OCCC)C=C3)(=O)=O,LUVQSEZHXLAIGC-UHFFFAOYSA-N
-0EED1F6282848626_D9BD641CF6DADF46_6029_UN,COC1=CC(=CC=C1)C2(CCC2)N[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,WCOSSAONKHRXOS-UHFFFAOYSA-N
-0F09E2B6EC167E09_2ACB4623FBE5E4B3_6038_UN,CN(C)C1=NC=C(C=C1)CNC(CC(CCC)CCC)=O,IYNWVCQYZZIIIV-UHFFFAOYSA-N
-1207A36EFF37C0C9_F72F3C6C985D9B4A_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C=CC3=NC(=C[NH]3)C)=O,SMJBKSAVAIVLNO-UHFFFAOYSA-N
-122B6332E6B59538_3CDF0F44C8CB749F_6038_UN,CC(NC(C(CCN(CC)CC)=C)=O)C1=NC=N[N]1C,KNDMPZWXYFQULS-UHFFFAOYSA-N
-12D18501BFB0DFC7_E4DEDA305680AF2A_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC(C3=C(N2CCN(CC)CC2)C=CC(=C3)F)C)[NH]4,MCLRBRQJNDKNKW-UHFFFAOYSA-N
-1317FDA3DDDE888C_9477EBB0D8CEE82A_6041_UN,O=[N](=O)C1=CC2=C(C(=C1)NCC(C)(C)CCC=C)[NH]N=C2,DDQUJOUNLPVIOM-UHFFFAOYSA-N
-13A2F7DFDEA22216_56BB5F2FFD3B2FAA_7019_UN,CC(CC1=C(C=CC=C1)C)NC(=O)C=CC2=C(CO)C=CC=C2,MUVRYTWGZZDRBN-UHFFFAOYSA-N
-1806E96195BEC1F2_A14D6A868F92B14C_6039_UN,CC(COCC1=C(C(OCC)=O)CNC(N1)=O)C(C)N(C)C,UFLZIXCPLSKBOA-UHFFFAOYSA-N
-1856931B960C7B2E_5DE741D1329C9C82_6028_UN,OB(O)C2=C1N(C=CC1=CC=C2)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,SBMZNENFFRHRSD-UHFFFAOYSA-N
-199889E4070FA1B7_599E196E0DD1070B_6039_UN,COC1=C(C(=CC(=C1)C=C)OC)OCCN2C(=O)CNC2=O,IYGYHUDSHFHUEA-UHFFFAOYSA-N
-19F3514A06C6947F_E22F09A4B3F831AD_6029_UN,CC=CC=CCN[S](C1=CC=CC(=C1)C2CC(F)(F)C2)(=O)=O,YYORXEVMYSBDLG-UHFFFAOYSA-N
-1BA274D950B6689C_0758EBEAC387EAFC_6043_UN,C1(=CC=C(C=C1)C2CC2)N[S](C3=CC=CC(=C3)CC)(=O)=O,GSZVXGMXOAFOGN-UHFFFAOYSA-N
-1C040F3E96C7B10B_FACC9B8C67848A2E_6027_UN,N(C2(CC1=CC(=CC=C1)F)CCOCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,SEWRYNODOCKLNH-UHFFFAOYSA-N
-1C05C2965AB3BBE9_D03AB2940DDFEB46_6041_UN,COC1=CC=C(C=C1)C2=N[NH]C(=C2NC3=CC(=C(C=C3C(=O)N(C)C)OC)OC)C(=O)O,DYHDBCGUWDKEKW-UHFFFAOYSA-N
-1CBA86A3A242B6B9_2E6DA8F57FAEFFE9_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)Cl)[S](C3=CC=C(C=C3)I)(=O)=O,BJHYPDNYQHFSFH-UHFFFAOYSA-N
-1EE8EEAB1B194E2E_C07529120A50B440_6038_UN,CN(C)C1=C(C=NC=C1)NC(CC(CCCCCC)C)=O,GTNRHQSFOABLMI-UHFFFAOYSA-N
-1F235BB1BFD85CED_CA153D557316B6AC_6038_UN,CC(C)C1=NOC(=N1)COC(C3=CC2=C(COB2O)C=C3)=O,PRMSCHNPBSWGIH-UHFFFAOYSA-N
-1FD236D6E4DA5D89_7FCD7AFF02440BF9_6035_UN,CC(C)C2CCC(C)C(OC1=C(C(C)(C)C)C=CC=C1)C2,ISBXXXXVJFFHLD-UHFFFAOYSA-N
-21CE7D0CE4ABE73F_CC230612D728ADC5_7022_UN,C1(=C(C=CC=C1)C2CCC2)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,JXHBBZYNTNOUIM-UHFFFAOYSA-N
-226AEAB06346AD75_E6187C91D3967E90_7019_UN,CC1=C(C(=CC(=C1)C(C)(C)C)C)C=CC2C3CCCC23,SECHMRZYAOHXTO-UHFFFAOYSA-N
-22D3E3499154A76C_1649CD99DE4662E2_7019_UN,CCOC(=O)C3=C(C=CC1=CC(=C([N](=O)=O)C=C1)OC2CC2)NC(=O)NC3,OYHPTSZRWYZKRB-UHFFFAOYSA-N
-22DD67A51AA8E380_8B2EF00E335CF785_6035_UN,CC(OC1=CC=C(C(C)(C)C)C=C1)C2CCOC(C)C2,JIYVQNBQNNKDSH-UHFFFAOYSA-N
-2857F2FC529091BB_019E0C95264C3933_6029_UN,N(C1C(CC1)=C)[S](C2=CC=C(C(CC(C)(C)C)O)C=C2)(=O)=O,XDBHHJSSJJQVSP-UHFFFAOYSA-N
-2BF797DA8B4270FC_B0E2BD62257108E6_6035_DP,N1CC(=C)C1COC2=C(C(N(CC)C)=O)C=CC(=C2)Br,XAAIAIMHHAYWOR-UHFFFAOYSA-N
-2CC5F6FAFB692BC5_8C7F661FDEAF05E1_6029_UN,N(C1=C(C=C(C=C1F)F)[N](=O)=O)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O,JTKCUAPILRMFSX-UHFFFAOYSA-N
-2D19B888A35D77CA_1D96EFEB2DD5BD4F_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,ZEBVEUGQCPECLJ-UHFFFAOYSA-N
-2E33710B2DFDB3A7_1EB4C2C7D5F8CEE5_6035_UN,CC3=CN1C(=NCC(C1)OC2=C(C(N(C)C)=O)C=CC(=C2)Br)C=C3,HRLLTDSVVJRFSW-UHFFFAOYSA-N
-2EAF08BE331E8FC0_6C427354348C1E50_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(C)C2C(C2)C3=CC(=CC=C3)C,BBBVOYFVCOKLFK-UHFFFAOYSA-N
-2EB50ABAB9ECA36A_EBBA9CBAAC048C41_6029_DP,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=NC=C(C(N3CCNC(C3)(C)C)=O)C=C4)(=O)=O,WOYNKVLGFVIGQW-UHFFFAOYSA-N
-2EB6B307E490FA57_3D306FDA7F93F80D_6041_UN,CC1=CC=C(C=C1)[S](=O)(=O)OC3=C2C=C(C=C(C2=NC=N3)F)NCCC4=CN=C(C=C4)N5CCC5,BSZHLQPODUGAIU-UHFFFAOYSA-N
-2EBC69A737B14844_214FB89EA0EF1B8E_6038_UN,O(C1=CC(=C(C=C1)I)Cl)C(C2ON=C(C(OC)=O)C2)=O,FMDVJSQGGZMNRU-UHFFFAOYSA-N
-2F4C4A08D82B86B5_DAF97A0E5C63C495_6029_UN,COC1=CC=C(C=C1)CCN[S](C2=CC(=CC=C2)I)(=O)=O,ANRHWAFNLSVWDL-UHFFFAOYSA-N
-2F4D01B88CED3469_588EF8F8B7AE542C_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=CC(=N5)C)C#N)(=O)=O,KFYPZHSAUIDAMN-UHFFFAOYSA-N
-2F758D434B3238B2_6F4510CDAFB0343A_6038_UN,CC(NC(=O)C1=CC=CC=C1)C3=NC2=C(C=CC=C2)[N]3C,VZMRNRJITQDGNS-UHFFFAOYSA-N
-30608C7B0822D36D_F14C083884C25A8C_6029_UN,CC1=C(C=CC=C1)[C@@H]2C[C@H](C2)N[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,CYVXXMCAVBQQNN-IYARVYRRSA-N
-30B19B49C65DF865_4B5C79112B90BE4F_6038_UN,CC1=N[NH]C2=C1C=C(C=N2)NC(C(NO)CC3=CC=CC=C3)=O,MNRNUXIXFMPEGG-UHFFFAOYSA-N
-31CBB9BEE456D1D3_2D50AFF3B7135B37_6041_UN,CC1=CC4=C(C(=C1)NCC2=CC(=NC=C2)N3CCN(C(C)=O)CC3)OCCC4=O,PBCQLHGSVXHAKH-UHFFFAOYSA-N
-329A422C398061FD_DC24A3EB4B48B0BC_6038_UN,O(C1=CC(=C(C=C1)Br)Cl)C(C2ON=C(C(OC)=O)C2)=O,AARGOZAFAQWSAH-UHFFFAOYSA-N
-340E77D9893415A7_116560D3506F4376_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3=CC(=C(C=C3)F)C(CCCC)=O,VMOSEYSZXOLYTH-UHFFFAOYSA-N
-35465F668C5D9929_657C6F21371DF55A_6029_UN,FC1=CC=C(C=C1)C3=CSC(=C2N=NC=N2)N3[S](C4=C(C=CC=C4)C5CCC5)(=O)=O,QRCUMNJLYRGYBE-UHFFFAOYSA-N
-37634711D95CBE2B_447CC327638D4ADB_6038_UN,COC1=CC(=C(C=C1)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23)[N](=O)=O,VFYXIHCIMCBSGA-UHFFFAOYSA-N
-3955052E2A64B8A0_E4D3C64228FBF6AC_6003_DP,N2CC(=CCOC1=C(C=CC=C1C(OC)=O)[S](=O)(=O)Cl)C2,ARVHOPFZWCWVPE-UHFFFAOYSA-N
-3B9C5F6AA430C9F1_5CF8012740A9C802_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NCCC#C[Si](C)(C)C,BIWBIGYZKPAQCF-UHFFFAOYSA-N
-3C676B368FE364C1_7EE48E69C9D7DD84_7005_UN,CC(C)(C)C1=CC=CC3=C1N=C(C2(CC=CC2)C#N)[NH]3,CHSYFSUIQICZFJ-UHFFFAOYSA-N
-3CBE1C6BB6D84A85_1719A2CF3A146D16_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3=CC=C(C(CC)(C)C)C=C3,MGICMULYYWNBPJ-UHFFFAOYSA-N
-3CEC3A08AED77241_CDF9B3A1784F544B_6041_UN,OC(=O)COC2=C1N=CC=CC1=C(C=C2)NCC(CCC)=O,DTBHHJHKIQNYJX-UHFFFAOYSA-N
-419E21EABA046511_A882DDA9E7D200E5_6038_UN,CC(NC(=O)C1C=CC=CC=C1)C3=NC2=C(C=CC=C2)[N]3C,DCTGXIKAQXPLQF-UHFFFAOYSA-N
-432BC49925CC3EFC_251EEA0E77F96CD5_6039_UN,O(C1=CC(=CC=C1)N2CCC2=O)CC(NCC3=C(COC)C=CC=C3)=O,ZZQBTSFUUNJCIQ-UHFFFAOYSA-N
-43A797501AA02D30_01268C726CDAD929_6038_UN,O(CC2(CC1=CC=C(C=C1)F)CC2)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,ZFMQCYOXYUITQK-UHFFFAOYSA-N
-44D5095A43744AAA_456A037F563A9F5F_6038_UN,CC(NC(=O)C1=C(C2=C(N=C1)C=CC=C2)N3CCCC3)C4=CC(=C(C=C4)N5CCN(C)CC5)F,FTUJNXIOXWHIEB-UHFFFAOYSA-N
-4634C01BAEC21785_2F7CD44643787374_6041_UN,OC(=O)C=CC1=CC=C(S1)C2=CC(=CC=C2)NC4=C(C=C3OCOC3=C4)C(=O)O,XGFLLBQUQZCOON-UHFFFAOYSA-N
-4634C01BAEC21785_B0C842AC9E898E20_6041_UN,OC(=O)C=CC1=CC=C(S1)C2=CC(=CC=C2)NC4=C(C=C3OCOC3=C4)C(=O)O,XGFLLBQUQZCOON-UHFFFAOYSA-N
-48A1011E56579BEB_3B34F04463474720_6038_UN,O(C1=CC(=C(C=C1)Cl)Br)C(C2ON=C(C(OC)=O)C2)=O,IJHAJXWQMDNDKT-UHFFFAOYSA-N
-4B806F61555A0605_31DAEC89D88ECF34_6028_UN,CCOC1=CC=C(C=C1)C3(CN[S](C2=CC=C(F)C=C2)(=O)=O)CCOCC3,CZHHBRJGNQKRSX-UHFFFAOYSA-N
-4BCA39CAEDDED91E_BD9173754C9F9C98_6038_DP,CC1=C2C(=CC=C1)C(CCO2)NC(C4ON=C(C3CNC3)C4)=O,XZATUGVQELPQMJ-UHFFFAOYSA-N
-4BCCB9217D41D69F_AA93069B313A4982_6041_UN,CC1=C(C=CC=C1NCC2(CC[N](C)(CC2)=O)[S](=O)(=O)C)[N]3C(=NN=C3C4=CC=NC=C4)S,CFNUNRQXAHEVKN-UHFFFAOYSA-N
-4C9E2FBB78E70F95_949510650BB39AFF_6003_UN,O(C1=CC(=CC=C1)N2CCCC2=O)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,GEQUSYBUKPNPNP-UHFFFAOYSA-N
-4E99FBD97EDE42EE_863AE8FB52C8B022_6029_DP,ON(CC1=C(C=CC=C1)Cl)[S](C3=CN=C(C2(CNC2)C#N)C=C3)(=O)=O,JPEVWLMXJZKBKA-UHFFFAOYSA-N
-4EB6F74F6A75AC3E_5D3EC83EC9F0AC07_6038_UN,N(CC1=CC(=CC=C1)F)C(C=CC2=CC=CC(=C2)OC)=O,YMBATQSAVPXZNM-UHFFFAOYSA-N
-511A940F8E588857_83925265B2D6C72D_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(CC(CC(C)=O)(C)C)=O,JPSREKZNTQYLII-UHFFFAOYSA-N
-52F4438B9166802D_762B11154079B411_6028_UN,COC1=CC=C(C=C1)CCN[S](C2=CC(=CC=C2)Cl)(=O)=O,OEJTXZQVSAFRCD-UHFFFAOYSA-N
-52F83C19CFB1D1B8_1D5B34F0C037EB38_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4=CC=C(C3=NN=C(C)[NH]3)C=C4)=O,YKLYEOVPLXTVJO-GOSISDBHSA-N
-539754A85BE7948D_9142AB65D7FF31F4_6041_UN,COC1=C(C2=C(C=C1)C(=NC=N2)N[C@@H](C(C)C)C(=O)N(C)C)OC,XOHDDXAHJHXHPX-ZDUSSCGKSA-N
-53ACD14D9260D2EA_D226B60BC3491C09_6029_UN,COC1=CC(=CC=C1)CN[S](C2=CC=CC(=C2)C3CC(F)(F)C3)(=O)=O,LNLDWXXBWIZGDI-UHFFFAOYSA-N
-54FFA74295F7ADDB_A0ADF65674F15EE2_6029_UN,N(CC(F)(CO)C1=CC=CC=C1)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,LQQJLLSJBPVOAX-UHFFFAOYSA-N
-5517B12787037A7B_2C9AC17C4844E510_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2N[C@@H]([C@H](CC)C)C(=O)N(C)C,WCAYUTNHMSCDEN-ZBEGNZNMSA-N
-57203B8711E523D4_E95E98FA08EAB3DE_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCOCC2)N[C@@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,UGCPZAKBSRWHLA-KRWDZBQOSA-N
-579D71B96EB93709_57054D4E0E8DE8DE_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(C=C(F)C=N2)I)(=O)=O,VCVBETXAINCJNS-UHFFFAOYSA-N
-582D08ACFD5BD148_55190C2307F67A50_6038_UN,CC(OC(=O)C2=CC=C(C[N]1C=CC(=N1)[N](=O)=O)O2)C3CCN(C)CC3,CURXUIDFKQUXIP-UHFFFAOYSA-N
-597DD1CDDC52134E_2F8C565C99E6C315_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=CN=C5)(=O)=O,WKYPFUFQHKZYKH-UHFFFAOYSA-N
-5B0C5A4DFAE1DB2B_87CF916EA79E03C7_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C(CC(C)=O)(C)C)=O,XJIUZBLIMJNPID-UHFFFAOYSA-N
-5B749D72B1121232_F991628D7DE37319_6038_UN,CC(NC(C(CCCCC)C(C)C)=O)C1=N[NH]C(=C1)C,XTCQRLZQDWORTI-UHFFFAOYSA-N
-5C202E219A9BDCC8_12296B52F946780B_6041_UN,CC(C)C1=CC=C(C=C1)C2=CN=C([NH]2)NC(C)C(=O)NO,WGKYHQWPPRMXTP-UHFFFAOYSA-N
-5CE7F6FD72D4F38C_1086393B69BF65CF_6029_DP,O=[N](=O)C1=C(C=CC=C1)N(C2=C(C=C(C=C2)F)F)[S](C4=CN=C(N3CCCNCC3)C=N4)(=O)=O,MNHFHEBMKUDWIX-UHFFFAOYSA-N
-5FD5963A041B247F_9763894729EE8654_6038_UN,CC(C)OC(=O)CCNC(C1=C(NC(OCC)=O)SC=N1)=O,HPGYLDRCMQVNBD-UHFFFAOYSA-N
-5FF6517944BCE301_F485C34665203FB5_6038_DP,COC1=C2C(=CC=C1)C(CCO2)NC(C3=NC=C(C(O)=O)C=C3)=O,QKHYXPUKVHKLCO-UHFFFAOYSA-N
-600892461D6D7F96_6A69ECCA40B73FAC_6029_UN,C2N=C1C=CN(C=C1C2)[S](C4=C(N3CC(CO)C3)C=CC(=C4)C(F)(F)F)(=O)=O,MWRJJNHRFKBEID-UHFFFAOYSA-N
-61AB1CC1BD1BE86F_0EAAF9E1371FCF46_6003_UN,CC(=C(C)COC1=CC=C([N](=O)=O)C2=C1CNC2=O)C,FKKXDDRSLRMXHV-UHFFFAOYSA-N
-6271502B3D573361_FDCFA54779345D32_6038_UN,CC(=C)COCCNC(CCC1=CC=C(C(OC)=O)[NH]1)=O,ZECFBAKZLXYPOG-UHFFFAOYSA-N
-6298BF81CEEA2B92_3FDD515D49863DD9_6029_UN,N([C@@H]1C[C@@H](C1)C#C)[S](C2=CC=C(C(O)CC(F)(F)F)C=C2)(=O)=O,YMVLIEQBUMTDLX-HEWKSLEDSA-N
-637C65398BAA670A_00631AD4FD5F5B70_6009_UN,OCC=CC(CC1=CC=C(OC)C=C1)C(=O)C2=CC=CC=C2,IMJXNBLWVIZKAN-UHFFFAOYSA-N
-63C50670927EE91B_DEE835461131C071_7019_UN,CC1=CC=C(C=C1)NC(=O)C=CC2=C(CO)C=CC=C2,RJPUCQYWLTWZTA-UHFFFAOYSA-N
-6426763941A61FEB_6956DAAA1C9B7968_6038_UN,CCN1CC(C(C1)NC(CCC2=CC=C(N(C)C)C=C2)=O)(C)C,HEIOXNANEKVGMA-UHFFFAOYSA-N
-6476245608020108_2962C079C9FFAA0D_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC(CC(C)C)C2C(C2)C3=CC=CC=C3,SRVJIJMQQRHKMA-UHFFFAOYSA-N
-650655EEA633E501_7CA0A54C39AA2C2A_6041_UN,CC(=O)C1=C(C=C(C=C1)N2CCOCC2)NC4=CC3=N[N](C(=C3C=C4)C)C,RDEHCEJMZGOJTD-UHFFFAOYSA-N
-65DEB28B73F0C4EA_ED4DA214FBE31A77_6029_DP,ON(CC1=NC=CC=C1)[S](C3=CC=C(C2(CNC2)O)C=C3)(=O)=O,RTBFSEANUYLGKI-UHFFFAOYSA-N
-668EB9568306025D_97F29912DFB49276_6041_UN,CC1=C(C=CC=C1)C2=NN=C([N]2C3=C(C=CC=C3)C)N[C@@H]4C[P](C[C@H]4O[Si](C)(C)C)(=O)C,VXVTVTBCWMBUJG-YJAQXXTPSA-N
-6721D2CFB77E9C3F_A34C75069342E58A_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@@H]2NC(C3=CC(=C(C=C3)[N]4C=NN=N4)C)=O,DXSBDSUUEUMTCN-KRWDZBQOSA-N
-672924087FB91A6A_A689CDD8C6316B41_6029_UN,CC=CCCCN[S](C1=CC=CC(=C1)C2CC(F)(F)C2)(=O)=O,GTBBSFBCQDFHRR-UHFFFAOYSA-N
-676F7AEC76548860_31A5AE7CA6319A90_6038_UN,C[Si](C)(C)C[N]2C=C(NC(C1(C(N(C(C)C)C)=O)CC1)=O)C=N2,FZRUXYUDJYSRAL-UHFFFAOYSA-N
-67EA1D2CEA517A20_07F311F673C08AD9_6038_UN,CCCCCC(NC(C2=CC1=C(N=C[N]1C)[NH]2)=O)C(C)(C)C,GFATZWBKBXTKJO-UHFFFAOYSA-N
-68EE445DD7760DA1_E402473858E308C0_6038_DP,N(C1=CC(=C(C=C1)OC2CCC2)F)C(C3=CN(CC)C4=C(C3=O)C=C(C(=C4)N5CCNCC5)F)=O,GLQJGCIAVMEOQL-UHFFFAOYSA-N
-694B028AE7861300_2934FAFF1B980B2C_6041_UN,OC(=O)C2=C1N=CC=CC1=C(C=C2)NCC[C@@H](O)CO,UGCHKYOWSZIAGP-SECBINFHSA-N
-69E1A22BCF0A1BD0_200F2F4A846B2419_6038_UN,CN1CCN(CC1)C3=C2C=C(C=CC2=NC=N3)NC(C(CCCC)(C)F)=O,NAZLPWVRZPVGPF-UHFFFAOYSA-N
-6AE800534F5E339D_945BD74A16AE604D_6029_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C4=CC=C(C(O)C3CCC3)C=C4)(=O)=O,LJHDVOYOYPVEBD-UHFFFAOYSA-N
-6BC7674EB56DBCBF_F779C2FB37679115_7019_UN,CC2CCCC(NC(=O)C=CC1=C(CO)C=CC=C1)C2C,SDBZYBQXBXSBOE-UHFFFAOYSA-N
-6E7073652D4D3AC1_E2F231661F5D02F1_6029_UN,OB(O)C1=CC2=C(C=C1)C=N[N]2[S](C3=C(C=CC=C3)OC4=NN=CC=C4)(=O)=O,ITTXWWWBKPVCNY-UHFFFAOYSA-N
-6F1C1250F898E7E4_7D6F2DD524B0C0FF_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=C(C=CC(=C2)C3=NC4=C([N]3C(C)C)C=C(C=C4)F)C,CYVIFXGAOSPWPB-UHFFFAOYSA-N
-6F2CC54C05A0920D_2D3E10BE248F95B0_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NCC(C(OCC)=O)(CC)CC)C,XHLKPCJZSNLBGF-UHFFFAOYSA-N
-6F4FF529554E1BDC_80631A3022D1E956_6031_UN,O(C(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)CC3NC(=O)NC3=O,LZBGNUYKTJTZIR-UHFFFAOYSA-N
-6FFBE62393C758D0_7824666373FAF8FF_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC6=C(C=C5)SCCC6)(=O)=O,WPXAQSVAFMEAPG-UHFFFAOYSA-N
-707482248EF72DEE_9785BE55B7FA0A95_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C5=C4OCCOC4=CC(=C5)[N](=O)=O,CKBWOAGEWUOYSF-UHFFFAOYSA-N
-72425E221A796842_10DA5A07B131C03F_6038_UN,CCC[C@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)CC(=O)OC,ZBPCFCIXCCUWFS-VIFPVBQESA-N
-7393E86581505909_EE42C6A6A41494FA_6035_UN,CCC(COC1=C(OC)C=C(C=C1)C)C2=CC=CC=C2,CYKOROAEJUOOFY-UHFFFAOYSA-N
-7980F1AF9936B5AA_F6FD6F2F3043AAEB_7019_UN,C(C(=O)NC1=C(C=CC=C1)CC2=CC=CC=C2)=CC3=CN=C(O)C=C3,RFUAOEYYBDPGAV-UHFFFAOYSA-N
-7A3D0D51D68BC6A3_C82F55185194BEC0_6041_UN,C2(=C1C=CC=NC1=C(C=C2)CC#N)NC3=CC=C(C=C3)CCC(=O)NO,XRWSCWFKNCVKDR-UHFFFAOYSA-N
-7A9118C3D1435379_1106C769DEC10A5B_6029_UN,CC=CCN[S](C2=CC=C(OC1=CC=C(C(C)O)C=C1)C=C2)(=O)=O,CWLJHMNMQXVGAB-UHFFFAOYSA-N
-7B4F93B01BE873D9_CFD27BE2039179BD_6041_UN,OC[C@@H](O)C1=CC=C(C=C1)NC(C2=CC=C(CC(C)C)C=C2)C3CC3,VEFZZGFVCVRKSB-ZMFCMNQTSA-N
-7C41D5E9B0BC8A77_67337F7EF8F17141_6041_UN,CC(C)C1=CC=C(C=C1)C2=CN=C([NH]2)NCC(=O)NO,URCLXLORHFWBSB-UHFFFAOYSA-N
-7C985041359D9F23_37B2B4C9830593E4_6041_UN,C[N]1C=CC2=C1N=CN=C2NC[C@H](CC(OCCC)=O)CC(C)C,NAMQJWXXNXELKV-AWEZNQCLSA-N
-7E3BEF0CDBBE2479_2C314AC2D3BB6B71_6035_UN,CC(C)(C)C2CC(COC1=CC=C(C(C)(C)C)C=C1)C2,JMNFWECEFNPTBM-UHFFFAOYSA-N
-7EC78A21C483B232_FAF71028D8FAB335_7019_UN,C[Si](C)(C)C#CC1=CC(=CC(=C1)C=CC2=CN=C(N=C2)N3CCOCC3)[S](=O)(=O)F,FETQHBMCJSZMCR-UHFFFAOYSA-N
-7FC723961C6D3889_F8F1BBF8D0786B5F_6038_UN,CCCC(=O)C1=C(C=CC(=C1)NC(C2=N[NH]C(=C2)CCCCC)=O)F,ZNCMEFGQWVYTPM-UHFFFAOYSA-N
-809DA2FC98F2E828_177C4B7A7419937F_6029_UN,CC2CCN(CCCCN[S](C1=CC=C(C=CCCBr)C=C1)(=O)=O)CC2,UBZQXYGESRTWNN-UHFFFAOYSA-N
-85C6A66D07FB4778_BB07E1ABB26C8E5A_6035_DP,N2CC(OC1=C(C(CC)=O)C=CC(=C1)C)(CCC#C)C2,WYAPWWQFEQRABS-UHFFFAOYSA-N
-8605D85D284789FA_DCE7BB4B04C8A7E9_6038_UN,CN1CCN(CC1)C2=C(C=C(C(=C2)F)Br)NC(=O)C4=CN3CC[S](=O)(=O)N=C3C=C4,COTLOXNWCFDNSX-UHFFFAOYSA-N
-86950597CA87AA57_25ACB56AE95B0F77_6039_DP,N1CC(=CC1=O)OCC(N(CC)CC2=CC=C(C=C2)OC)=O,KUTLAFLLVPWQFJ-UHFFFAOYSA-N
-894FB7B83AF3E9D9_6FE3B910E1C3FC99_6034_UN,O=[N](=O)C1=CN(C(=C1)C(=O)CCl)CCCNC(=C2N=CC=CC2=O)O,UGHNWHVNLVXLFE-UHFFFAOYSA-N
-8BEDE9FB7DAA0E9B_BBE346929C1F784D_6038_UN,NC(=O)C1=C(C=N[NH]1)NC(C2=C(C)C(OC2=O)(C)C)=O,QJRVPPWDMFLHMQ-UHFFFAOYSA-N
-8C80CC2368E33C44_547E63CE629BE2A7_6041_UN,CC(C)CC(=O)C1=CC(=CC(=C1)C)NCC2=C[N](CCC)N=N2,GKFFOQZIWNXLRH-UHFFFAOYSA-N
-8F1B8645D864F2F0_417238D12F5B0C26_6041_UN,CC4(C)CC(=O)C1=C(C=CC(=C1)NCC2=CC(=NC=C2)N3CCN(C(C)=O)CC3)O4,ZYZCIXAMLOKYEW-UHFFFAOYSA-N
-8FB03570DF57EAA2_7285A9204B70DC93_6039_UN,O(C1=CC(=C(C(=C1)F)Br)F)CC2=C(C(OCC)=O)CNC(N2)=O,QVMXXMFRMRDRKC-UHFFFAOYSA-N
-9014EB52E775F8BA_EEAF5729933A80FF_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(C(C)C)N=CN=C3)=O,LJDVXGQVQWNBJL-UHFFFAOYSA-N
-904ED7A1DE266B09_60717B8F7F6A9396_6038_UN,CC(CCNC(C1=C(NC(OCC)=O)SC=N1)=O)N(C)C,DSMXUQYDSNETKL-UHFFFAOYSA-N
-9066031D93EE8E3C_27F726C19737C78F_6029_DP,N(C(CO)CC1=CC=C(C=C1)F)[S](C2=CC=CC(=C2)C(C3CCNCC3)O)(=O)=O,VSQTWNJBEPLVJS-UHFFFAOYSA-N
-91F33E51B8193A20_A73B6C6AC2404192_6029_UN,N(CCC1=CC(=CC=C1)C#N)[S](C2=CC=CC(=C2)C(F)=C)(=O)=O,BSQOCIBZQUYSRM-UHFFFAOYSA-N
-91F39D8DAFB054B4_81A706DD257A3666_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=C(F)C=CC=C2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,XUEXPHDDKNYTSF-UHFFFAOYSA-N
-9275C8BFF91F585B_6FAEF170C672E10E_6035_DP,N3CCC(OC1=CC=NC2=C1C=C([S](C(C)C)(=O)=O)C=C2)(CBr)CC3,AAFRDBIWFWMXTH-UHFFFAOYSA-N
-9309109ED3AF4513_625310559CD23C5F_6041_UN,CC(C)[N]1C=NC2=C1C=CN=C2N[C@@H]([C@H](CC)C)C(=O)N(C)C,AMIKEGFRDMWIQX-JSGCOSHPSA-N
-93AAAF6044AEE51B_4E5BF74B9772F82F_6028_UN,N(CC1(CC1)C2=CC=C(C=C2)F)[S](C3=C(C=CC=C3)Cl)(=O)=O,VTCIUSQCOUDOBZ-UHFFFAOYSA-N
-96B388CA6569327A_D88ECC6E78FABA2D_6038_UN,O(C1=CC(=C(C=C1)I)Br)C(C2ON=C(C(OC)=O)C2)=O,VGJOCWIMBVJLTL-UHFFFAOYSA-N
-9859A266BE5D77F9_A7CECEA6EDC4E8F8_6003_UN,O(C1=C(C=CC=C1)N2C(=O)CCC2=O)C3=CC=CC=C3C(NCCCOC)=O,SJCNQKHJFWYIGQ-UHFFFAOYSA-N
-98606F9EBDF77602_1730DE601BF0F650_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C4=C3OCCCOC3=CC(=C4)CC#N)(=O)=O,SZHMZKQSOJVODX-UHFFFAOYSA-N
-9AE08C1D7697D0FC_2D43B710253560A3_6038_UN,CC(C)OC1=CC=C(C=C1)[C@H](C)NC(C2=C[N](CCCC)N=N2)=O,BHRCEALVWGWBNF-AWEZNQCLSA-N
-9B1A0F4F1674DFEA_A836528A8A7D8E14_6041_UN,O=[N](=O)C2=C1C(=CN=C(C1=CC=C2)NCCN3CCN=C3CC)F,FZWNBNLZIIIALT-UHFFFAOYSA-N
-9CE9E06DFA5AEDB6_A1F5AAFBA980661E_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC(=C(OCCC)C=C2)OC,GRGKEWBLKIIJAX-UHFFFAOYSA-N
-9DA8498C2C4FF3E7_92F3844B19FF2B5C_6029_UN,COC1=CC(=CC=C1)C2(CC2)N[S](C3=C(F)C=CC=C3)(=O)=O,UNFFMZVKNAMHSF-UHFFFAOYSA-N
-9DC3C37CDA4C7FFD_B12542668026E2A4_6041_UN,C[N]1C=NC2=C1C(=CN=C2)NC[C@H](CC(OCCC)=O)CC(C)C,AGYWAWIBMVFPBD-AWEZNQCLSA-N
-9DE64B4AD09BA244_6E937EC30F404232_6038_UN,CCN(C)C(=O)OCCNC(C1=CC=C(C(OC)=O)[NH]1)=O,JNEMCWDZCYHGLA-UHFFFAOYSA-N
-9E727973D8F8C847_443ABF5041144439_6041_UN,SC2=NN=C(C1=CC=NC=C1)[N]2C3=CC=C(C=C3)NCC4(CC[N](C)(CC4)=O)[S](=O)(=O)C,IPCRRTVNGRKKDQ-UHFFFAOYSA-N
-A07E8C334DBC4719_D64A6C2BC1F224B8_2875_UN,O[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)[N]3N=NC(=C3)C(C)(C)N4CCOCC4,DLHILBXEYIEEQT-UHFFFAOYSA-N
-A2F8D9F4B8736292_AB182B55BEBD65E3_6038_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)C(C(C(C)C)[N]3N=CC(=N3)N)=O,RSQMTZGXTAEODJ-UHFFFAOYSA-N
-A70C91F7329BC6A1_6487DB6E3C84E80F_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC3(C(C)C2=CC=CC=C2)CC3,LHSADPKHICXZTF-UHFFFAOYSA-N
-A7C244C2F9B3EBF4_7CC71A6F74A4FE70_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC=C(C(C)O)C=C2)(=O)=O,JTYHOQMIBXAQEU-UHFFFAOYSA-N
-A8A10C9855298B1B_3951AAE7B18AED24_6027_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,OUUHMMSKCRZXID-UHFFFAOYSA-N
-A8B19C9CDF3D4357_2418A832122D3CDC_6038_UN,COC1=CC=C(C=C1)N4CC(NC(C3=C(C(N2CCN(C)CC2)=O)C=CC=C3)=O)CC4=O,DRJGJMZGYWHVQM-UHFFFAOYSA-N
-AA9235E49B4729AB_94A1B146DC86D154_6029_UN,N(CC1CC(O)C1)[S](C3=CC=C(OC2=CC=C(C(C)O)C=C2)C=C3)(=O)=O,VPUDARGWYIMWAC-UHFFFAOYSA-N
-AAAADAEEB3726514_896CBC464D83E127_6041_UN,C2(=C1C=C[NH]C1=NC(=N2)C3CC3)NC4=CC(=C(C=C4)C)C(N(C(C)C)C)=O,NTPRDEGZYRJPCF-UHFFFAOYSA-N
-ABCA92FFE026D9E6_159F972E28DAF333_6029_UN,CC1(CC=CCN(C1)[S](C3=C(CCl)C=C2OCOC2=C3)(=O)=O)C,XKVGOZWOMOCYIN-UHFFFAOYSA-N
-AC029FFBB3138711_AA07804D43DB324E_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=N[N](CC(C)(C)C)C=C2)(=O)=O,LMLWSVBXJIPJGW-UHFFFAOYSA-N
-AD6EAC1834277551_0A3D35BD4AE8B60D_6029_UN,N(CC(O)C1=CC(=CC=C1)C#N)[S](C2=CC=C(C=CCO)C=C2)(=O)=O,KAMXKVUEOYUUJE-UHFFFAOYSA-N
-AE2C324FC2DE1A6F_880B5AC94AD07057_6029_UN,N(C1=CC2=C(C=C1)C=CC(=C2)B(O)O)[S](C3=NC(=N[NH]3)C4CC4)(=O)=O,UIONAKROSVKLBK-UHFFFAOYSA-N
-B35C1B144B0555A2_E80E577F7D650E4B_6029_UN,CN1CCN(CCC1(C)C)[S](C2=CC=CC(=C2)P(Cl)Cl)(=O)=O,KAEKZIRUIWJZCE-UHFFFAOYSA-N
-B37E49F3B08B23A5_E00BB35FA4CA1CF2_6028_UN,N(CC(C1=CC=C(C=C1)Cl)C(F)(F)F)[S](C2=C(C=CC=C2Cl)Cl)(=O)=O,BKUDILXNYMXUKW-UHFFFAOYSA-N
-B39DCC5C5EBCF4EE_CC1B9814E03CE471_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC(CCCOC)C(=O)N(C)C)C,XTMJVLJTJDCDKK-UHFFFAOYSA-N
-B63AD79034802ED2_D9950161EE4F74A1_6029_DP,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC(=NC=C5)N6CCNCC6)(=O)=O,MUDQIWKTTBMZSI-UHFFFAOYSA-N
-B657481F4C65222B_71C2CBB7E23D565F_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C4=C(C=CC(=C4)C)N5CCCC5=O)=O,KQDFJJBUGXYLAS-UHFFFAOYSA-N
-BA1386FED617CEDC_EB165A04507352DD_6035_DP,N2CC(OC1=C(C(N(CC)C)=O)C=CC(=C1)Br)C(=C)C2,ARAZXCCIDOTYRA-UHFFFAOYSA-N
-BA928464F4447697_726BDD5BC80AF41B_6035_UN,C[C@@H](OC2=CC=C(C1=C[N](CC)N=N1)C=C2)CC(=O)N(C)C,WCVOLMDYTXZSEC-GFCCVEGCSA-N
-BA9F9CEBDF8D08FB_83590470450D3144_6029_UN,CCC1(N(CC1)[S](C2=CC=C(OCC(C)=C)C=C2)(=O)=O)CC,BLUHOYMLHBXNPF-UHFFFAOYSA-N
-BB662AA5381151F6_72B9473D4194D178_6038_UN,CC(C)C1=CC2=C(C=C1)OCC[C@H]2NC(C3=C(C)[NH]N=C3)=O,FVBDHWFXJXZNIU-OAHLLOKOSA-N
-BB8B2D5CEA4C4F3A_0EB8508538DABBB9_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)C2(N=N2)C(F)(F)F)CC(ON)C3,JKGZAYKSLMNRJE-UHFFFAOYSA-N
-BC1F4443253023F8_57A1BD63FF53E0BB_6041_UN,O[S](=O)(=O)C5=NC1=C(C=C(C=C1)NCC2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)F)[NH]5,VRWSMUOADJBASW-UHFFFAOYSA-N
-BCF22357EC233648_2AF238DC0F39DA22_6029_UN,CC1=CC2=C(C=C1)C(CN(C2)[S](C4=CC(=C3OCOC3=C4)Cl)(=O)=O)(C)C,NDEJMLJEFYSIKR-UHFFFAOYSA-N
-BD54111748A925D6_9A9E6A1FFBED8AED_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC3=CC=CC(=C3)O[Si](C(C)(C)C)(C)C)F,FWWAQTQUHHQLIG-UHFFFAOYSA-N
-C169EB17D498598C_A4CFF495B183EC53_6039_UN,O(C1=CC(=C(C(=C1)F)Cl)Br)CC2=C(C(OCC)=O)CNC(N2)=O,KUPDMQVIIRUPHV-UHFFFAOYSA-N
-C2D03FA358CC4F60_3850FF74AAF24C46_6038_UN,COC(C)(C)C(NC(C1ON=C(C(OC)=O)C1)=O)C#C,UTQZYBXMLHNOIW-UHFFFAOYSA-N
-C3D64076E4A34569_4F6D18AEC3E28BDF_7019_UN,C(CN1C(=O)CNC1=O)=CC3=C(OC2=C(C=CC(=C2C)C)C)C=CC=C3Cl,SDODCHGQULUUJJ-UHFFFAOYSA-N
-C892945562A4B52D_407FC8F968402EB1_6038_UN,CN(C)C1=CC(=C(C=C1)NC(C2N(CCC)C(CC2)=O)=O)C,DEOCBUDJEMXOQZ-UHFFFAOYSA-N
-C99348E219FE3586_7BCE5B75DF7F935B_6038_UN,CC(C)C1=CC(=C(C=C1)OC(C(C)=C[N]2N=NC=C2)=O)B(O)O,UVMJNXMLYDTKSN-UHFFFAOYSA-N
-CBD784503270C4BD_5D708633E558BE0C_6041_UN,C1(=CC(=CN=C1)C2=NNC(=O)O2)NC3=C(C=C(C(=C3)N4CCOCC4)F)[N](=O)=O,DDHBBEIYKPVORG-UHFFFAOYSA-N
-CCAF7E2E9A3FA885_A2137337C60C5F66_6035_UN,CC1(CC1)C2(C)CC2COC3=CC=C(C(C)(C)C)C=C3,MXJSDOKYSVDURS-UHFFFAOYSA-N
-CE1D784B30B82ABA_842C255374C81301_7019_UN,FC1=C(C=C(C=C1)[N]2N=NN=C2C3CC3)NC(=O)C=CC4=CC=CC(=N4)C#C[Si](C)(C)C,FTUWUSGSLIYTTP-UHFFFAOYSA-N
-CF83FDE1D9738900_260C2D10A5114E28_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C(CCC(C)=O)(C)C)=O,VCFMHDNPSVMKBC-UHFFFAOYSA-N
-CFA2A32806E8061F_641EB7D0FACBC423_6029_UN,N(CC(CO)C1=CC(=CC=C1)Cl)[S](C3=CC=C(C(O)C2CC2)C=C3)(=O)=O,SPYACLFJQZBWCX-UHFFFAOYSA-N
-CFB10A516262EE1D_5CB5C981106B9943_6029_UN,CC(C)C1CCCN(CC1)[S](C3=C(CBr)C=C2OCOC2=C3)(=O)=O,IJAFAQBYGVPQFE-UHFFFAOYSA-N
-D2361098E0E02182_B59D733C29F1BAD9_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCNC2=O)C[C@@H](N)C3=CC(=CC(=C3)Cl)Br,RRDYMEZRKKNFGF-CYBMUJFWSA-N
-D2D12E0DBAEA852F_B3637A15612D00A5_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C(N(CC)CC)=O)C=CC=C2)C,VAAXSVCFKZUKEJ-UHFFFAOYSA-N
-D3F00059C684A17F_7E1697006B5F40AD_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC(=CS5)C)(=O)=O,YMNSQOOPYYVFSV-UHFFFAOYSA-N
-D57BC7777E0AA8F2_38350368016D216F_6038_UN,N(C1=C(C=CC=C1)OCCF)C(CCCC(N(C)C)=O)=O,YNRQQIYYRLHZAY-UHFFFAOYSA-N
-D6551AD239E19EA2_F7AEEACCDB48781E_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=CC=CC(=C3)[C@@H](C)O)(=O)=O,ATGBAFDDSURZDU-OAHLLOKOSA-N
-D693D0926121C89D_9BC27D636E9FA39F_6041_UN,CC1=C(C2=C([NH]1)N=CN=C2NC3=C(C(N(C(C)C)C)=O)C=CC=C3)C,VWFUPJNFJYMCDG-UHFFFAOYSA-N
-D816496E3D30ADD3_4097CCE1E4EAB148_6038_UN,CN(C)C1=NC=C(C=C1)CCNC(CC(CCC)CCC)=O,ULRFNJWLXCCLJY-UHFFFAOYSA-N
-D86C03EB969C684F_D12EED065F571D45_2875_UN,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C3=CC4=C(C=C3)OCCN4)Cl,YUFAKMCEVVNQPU-UHFFFAOYSA-N
-D9C4B15B13FA764F_2892A47EFCA386EC_7019_UN,C(CN1C(=O)CNC1=O)=CC2=CC=C(OCCCC)C=C2,NRXKHWJPATWRIJ-UHFFFAOYSA-N
-DAC96B3566EA61EA_2EF1537D17519A20_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(=O)C4=CC=C(C=C4)[N](=O)=O,WKNIIOAJZSDQIX-UHFFFAOYSA-N
-DF4C9DFA3CE9611E_2E19EEA47885BF1D_6029_UN,N(CC(CO)C1=CC=C(C=C1)Cl)[S](C2=C(C=CC=C2)C3CC3)(=O)=O,AMFVKZIMARMPLN-UHFFFAOYSA-N
-E09334F494ECD97D_7BC255B4B10B4232_6038_UN,CN2CCN(CCNC(C(=CC1=CC(=C(OC)C=C1)F)C)=O)CC2=O,BTBAGCUSKITNBV-UHFFFAOYSA-N
-E2E28897AD8EA906_DD0084AEA484778F_6038_UN,CC(C)[C@H](NC(C(CCCCC)(C)C)=O)C1=NC=C[NH]1,ROTDJTZCRLSDMC-ZDUSSCGKSA-N
-E5A331D325E84ACD_5A4105DF17AC64A8_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C=NC=C5)C6CC6)(=O)=O,VOHKRVIVPFXKIS-UHFFFAOYSA-N
-E5F73CCD0D7EA915_4F35830D2A867AE5_6003_UN,O(C1=CC(=CC=C1)N2CCC2=O)C4=CC=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C4,ZQKMECSGUUKTFT-UHFFFAOYSA-N
-E6A0D52AA1A5C2E6_B7F1C6BBF2ADB813_6029_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=C(C(F)F)C=CC=C3)(=O)=O,SXQBDKVCEZKVRQ-OKILXGFUSA-N
-E859E8093AFE46B1_E03B7E1C3333BF44_6029_UN,IC1=CN=C(N=C1)N2CCN(CC2)[S](C3=CSC(=N3)[Si](C)(C)C)(=O)=O,BJEYBUIHHBCRNZ-UHFFFAOYSA-N
-E8758B879E7EDF6C_8B2D94B9F3379E33_6038_DP,O(C1=CC=C(C=C1)OC2CC2)C(C3=C(CO)C=CC=C3)=O,WZWVIIKMADUJBA-UHFFFAOYSA-N
-E8A78C755C9718FB_2528FA4ECAE82BB6_6038_UN,CCC(OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)COC,HEDGJDUOSXQUOR-UHFFFAOYSA-N
-E921D1251626EBFD_EA71819224465E00_6035_UN,CC(C)C(OC1=C(COC)C=CC=C1)CC2=CC=CC=C2,YZEXAXZLQKCQFB-UHFFFAOYSA-N
-EBC3DE258EFEE665_BB2405008C589B04_6041_UN,O[S](=O)(=O)C1=CC(=CC=C1)NC4=CC3=C(N=C(N2CCN(C)CC2)S3)C=C4,YYDFOXNUVWWVCR-UHFFFAOYSA-N
-EE272E09346DFCFD_BFE39B6F15844739_6027_UN,N(C2(CC1=CC=C(C=C1)F)CCCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DKPMFWNGTKSCAN-UHFFFAOYSA-N
-F0616BFB6FC8E663_320D281B11CBBC98_6041_UN,COC1=CC2=C(N=C1)N=CN=C2NCCC3=CC=CC(=C3)C(N(C)C)=O,OZOGHLCDQAKEDD-UHFFFAOYSA-N
-F0B3667DD3CDD021_CB9DCD520BD8CCE0_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(CC3=C([NH]N=C3CC)CC)=O,QFYWOHZNJDJSJD-UHFFFAOYSA-N
-F3A010CB3F6F4269_294327D1D50E1CB1_6004_UN,FC2=C1C=CNC(C1=CC(=C2)C3=CC=C(C=C3)C4(O)CCC4)=O,IBHDSGZMHTTWEN-UHFFFAOYSA-N
-F4F87002689A3F3A_0A5529250CA0AB60_6038_UN,CCN1CCN(CC1)C(=O)CNC(CC2=C(C=C(N(C)C)C=C2C)C)=O,OOUBCKULHFZOQK-UHFFFAOYSA-N
-F51CC1B9008355A1_5EE958E18F68C597_6041_UN,COCCOC1=NC=C(C=C1)NC(C)=C(C#N)C(=O)O,PUXVYBATIIZQIA-UHFFFAOYSA-N
-F5CB81517B62C796_87C8546664831351_6029_UN,N(CC1=CC=C(C=C1)C#N)[S](C2=C(P(Cl)Cl)C=CC=C2)(=O)=O,BJMFHMCEIFCECT-UHFFFAOYSA-N
-F64C923BD83516A7_8D93D130AD93E847_6028_UN,N(CCC1=CC(=CC(=C1)Cl)Br)[S](C2=CC=C(C=C2)I)(=O)=O,LVTLEQHUOSEXSO-UHFFFAOYSA-N
-F977E4780EE88FCB_37453B0BEDC6292B_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=CN=C(C=C3)I)(=O)=O,XTMZKQNUNWHQOG-UHFFFAOYSA-N
-FB12FF23D98A32AD_FA769A7DE1EAC74B_6029_UN,FC1(CN(C1)[S](C2=C(N=CN=C2)OC3=CC4=C(C=C3)OCO4)(=O)=O)C#C,WMSHPKVEQSULGF-UHFFFAOYSA-N
-FD86936DAE2FD5CC_723D4A4FA395370D_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC=C(C(F)(F)C#N)C=C2)(=O)=O,RLHMJWGKVHBPLF-UHFFFAOYSA-N
-FF92A143120A54FB_DD52D226631A8486_6041_UN,O=[N](=O)C2=C1C(=NC=NC1=CC=C2)NCC#C[Si](C)(C)C,TZOCNHSBNVDQCS-UHFFFAOYSA-N
-rxn:1:46340:17788,CC(C)C(=O)c1cc(-c2cn(CCC=Cc3cnc(F)c(C(=O)O)c3)nn2)c2c(c1)C1(CCCC1)C(=O)N2,WPNZEEMAIYBFFP-UHFFFAOYSA-N
-rxn:1:50431:35444,Cc1ccc(C(=O)NC2CCC(C)(C)CC2)cc1-c1cn(CC2C(c3ccc(C(=O)O)nc3)C2(F)F)nn1,AVAGMFNJSSWWCM-UHFFFAOYSA-N
-rxn:1:50770:35444,Cc1ccc(C(=O)NC2CCC(C)(C)CC2)cc1-c1cn(CC2C(c3ccc(C(=O)O)c(O)c3)C2(F)F)nn1,RJXHKLAWMAFFSX-UHFFFAOYSA-N
-rxn:1:51042:33323,COCC1CN(C(=O)c2ccc(-c3cn(CC4C(c5ccc(OC)c(C(=O)O)c5)C4(F)F)nn3)c(C)c2)C1,ZOHWDGZHSXWJDH-UHFFFAOYSA-N
-rxn:1:51064:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5cccc(OC)c5C(=O)O)C4(F)F)nn3)c2)COC1,XIHYFEFXYIWSRM-UHFFFAOYSA-N
-rxn:1:51355:35459,CCCC1CCN(C(=O)c2ccc(-c3cn(CC4C(c5ccc(F)c(C=CC(=O)O)c5)C4(F)F)nn3)c(C)c2)CC1,WYIXDSYZWMPVDJ-UHFFFAOYSA-N
-rxn:1:53505:34074,CC1(C)CCN(c2ccc(C(=O)NCc3cn(CCC4C(c5ncccc5O)C4(F)F)nn3)cc2)CC1,WZQMTIJFSVADCV-UHFFFAOYSA-N
-rxn:1:54481:33405,CC(C(=O)Nc1ncc(Br)nc1-c1cn(CCC2C(c3cnc(C(=O)O)c(N)c3)C2(F)F)nn1)N1CCCC1,YWELESADUMALTP-UHFFFAOYSA-N
-rxn:1:54545:35059,Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1-c1cn(CCC2C(c3cnc(C(=O)O)c(C)c3)C2(F)F)nn1,VIGGYAUBJUHYJA-UHFFSCBYSA-N
-rxn:1:59602:12980,CC1(C)OB(C(F)=C(Cn2cc(-c3cccc(C(=O)Nc4ccc(B(O)O)cn4)c3)nn2)c2ccc(C#N)cc2)OC1(C)C,LPBZMSOXCPOUJH-UHFFFAOYSA-N
-rxn:1:64940:33119,Cc1cc(C(=O)NCC(C)(C)C)ccc1-c1cn(CC2CC(=O)N(c3ncc(Br)nc3C(=O)O)C2)nn1,WDAVSEFIUSFGOU-UHFFFAOYSA-N
-00BF9FB4AF16D0DF_7DB1BA45F344D866_7019_UN,C(C(=O)N1CCNC1=O)=CC2=C(C=C(OCC)C=C2)C,IQDDKMZMMSKKMX-UHFFFAOYSA-N
-00C080DACE01E78E_6E88E99F50C8A578_6038_UN,CC(COC(C=C[P](CC)(=O)O)=O)CC1=CC=N[N]1C,MBEMQRDJGJJWJX-UHFFFAOYSA-N
-0142B0B674560D21_6B845F962B7E62BD_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)N[C@@H](CCSC)C3=N[NH]N=N3,WPERTLOAZUFRFC-NSHDSACASA-N
-01D60CC19DA5AC59_2C156D0AC425FE82_6038_UN,C[C@H](NC(CC(CCCCCC)C)=O)C1=CC=N[N]1C,YVZSFBHIGPMVSD-KZUDCZAMSA-N
-06DB35961A6A2479_FD541C1D6C5FE73D_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)NC(C)(C3CC3)C4CC4,BZRIYCBOJKIPPD-UHFFFAOYSA-N
-09F381709D07A123_400F857C4BAC1DFC_6038_UN,O(C1=C(C=CC=C1F)CC=C)C(=O)C2=C(C(=CC=C2F)[S](=O)(=O)O)F,ZHLYEHPAFDYWSS-UHFFFAOYSA-N
-0D1C93EB68C055E3_34B5C12A9C6787B4_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)N2CC(=CC2)C3=CC=CC=C3,XREONXLGABGJTA-UHFFFAOYSA-N
-0E5941AB1FD7A502_31CDB3AB014AEBD0_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=C(C=CC=C3)CC#N,KXDOVMJKHUIVQX-UHFFFAOYSA-N
-0F4A8C1DF4AD9B3B_8B49405BC96C9616_6041_UN,CN(C)C1=C(C(=NC=N1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N)[N](=O)=O,XYRTZRKYVRZYJW-LBPRGKRZSA-N
-0F758CEF985BBAB2_B6118E549EBF19B2_6029_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)[S](C2=CC=C(C(CC)C(=O)O)C=C2)(=O)=O,ZOAJDAXVYJEWJH-UHFFFAOYSA-N
-108891F0C7ECAF1C_4F832F7C1B136376_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=C(CC)[N](N=C3)CCC(C)C,HVGGYFACRUKSFA-UHFFFAOYSA-N
-157862578527B01E_1169F575B2E0C7B0_6029_UN,N(C1CCCCCC1C2=CC=CC=C2)[S](C3=NC=CC(=C3)C4=CC=C(C)C=C4)(=O)=O,KZSATUNDNYGKBH-UHFFFAOYSA-N
-15F0AA1E162939B6_1A91AE4DEA06AF53_2201_DP,N4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC5=CC=CC=C5,AXPKSTWPOSXSGU-UHFFFAOYSA-N
-16D6391EC1DB84E2_E55CF558DD409046_6038_UN,O(C1CC(C1)C2=CC(=C(C=C2)F)F)C(C3=C(C)OC(=C3[S](=O)(=O)Cl)C)=O,WKSJINWOPJIHAS-UHFFFAOYSA-N
-181A45712A00CC8E_C1E984226F4E7623_6029_UN,N(C1=C(CC(=O)N1C2=CC=CC=C2)C#N)[S](C3=C(OC)C(=CN=C3)Cl)(=O)=O,FHNXUXNOWCOLKV-UHFFFAOYSA-N
-18998F5D2341F393_75C00244B7415270_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCCCC3=C(C)C=CC=N3,ALOPPLYQQWJXBH-UHFFFAOYSA-N
-18F94560C010C69E_D3C2D8D179BD758A_7005_UN,N3=C(C1=C(C(C)C)SC=N1)[NH]C4=CC2=C(C=CC=C2)C=C34,UGIGSUHVAMEQEV-UHFFFAOYSA-N
-1948664283F10BD0_38BE6AE9479F5AA4_6035_UN,O(C(CC1=C(C=C(C=C1)F)F)C#N)C2=C(C=C(C)C=C2)[S](=O)(=O)O,YMSUGVXYXVUXLN-UHFFFAOYSA-N
-1CFA07E95817B330_520B4C5BFA4BF53F_6035_UN,O(CC(CC1=C(C=CC(=C1)Br)F)C#N)C2=CC=C(C=C2)[S](=O)(=O)O,GJNCWGKYLCHZEH-UHFFFAOYSA-N
-1D5E48FC37087EE8_B7DA30BF1301951F_6038_UN,CC1=C(C=CC=C1NC(C(CCC)CCC)=O)N2C(=O)CCC2=O,VCDUNXIUCGGQFS-UHFFFAOYSA-N
-1DA29592567DCED6_4076450A8859FB2C_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)F)C(N(C)C)=O,QOYZGJIMAQTOGJ-UHFFFAOYSA-N
-1DF00E2B1EC1749C_E98BB3A0D5A346DF_6034_UN,CC(=O)CC1=CN(C2=C1C=CC=C2)CC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,MCFNOWIOLLOOGK-UHFFFAOYSA-N
-20BC1FA4287DF7EB_47B219D8DBF5BE9D_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](CC)C#N,UKQBACIIVLODTL-SNVBAGLBSA-N
-20C716979382C10B_F5661248AA2BE11F_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@H](C(OCC)=O)COC,CGGPXPZDZADDHC-ZDUSSCGKSA-N
-2156D71A5E94A7A1_43DB86FEA798E081_6035_UN,O(C(CC(F)(F)F)C1=CC=C(C=C1)Br)C2=CC=C(C=C2)O[S](=O)(=O)O,PEJMTEQVOWBSPO-UHFFFAOYSA-N
-227A017A50979338_E234F4D54C868C80_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(C(CC)N(CC)CC)=O,ONMUTNVIAIBNQE-UHFFFAOYSA-N
-2298F384319FCCBB_543C3D5C25943D79_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(C(=CC(=C2)F)F)I)(=O)=O,FSHOUFLSZIJEJJ-UHFFFAOYSA-N
-231D1C7F965F99C1_4F029C2EC3E13DE8_6041_UN,CCC1=C(N=C(C(=C1)C#N)N[C@@H]2C3=C([S](CC2)(=O)=O)C=CC=C3)C,UYQNYJGXTSAZBN-INIZCTEOSA-N
-23974109E315A004_67289E2A2CE182E6_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,VDOWXQJJZGCQEG-UQHVZDHRSA-N
-25CE0938708A9544_E83AA20C83421D1E_6038_UN,O(C1=CC=[N](C=C1)=O)C(C3=CN=C(N2CCN(C)CC2)S3)=O,BXBZFVSLOUKKCL-UHFFFAOYSA-N
-25FE320FF1B88FE4_F55CF16A4BB390EF_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)OC(F)(F)F)[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,QBYBPBXZRNBNEU-GOEBONIOSA-N
-269E5DA8C3A50FF3_B78A5722587E51A1_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CCN(CC)CC)=O,PUARIQXZGFMDIG-UHFFFAOYSA-N
-272EB114264CC208_B226A033CC9D8F7C_7019_UN,C(C(=O)NC1=CC=C(C=C1)N2CCCC2=O)=CC(CCC)C,KUHKPKKHFBIZOV-UHFFFAOYSA-N
-276E8292ED6195A8_4FB862B1FA0696BB_6003_DP,OC2CC(OC1=CC=C(C(=C1)[S](Cl)(=O)=O)C#N)C2CC=C,WFUSWPMVHFLHQS-UHFFFAOYSA-N
-2BACDB148F1B4F40_EA118FE3E67C25FE_6006_UN,FC1=CC(=C(C=C1)C(=O)N2CCNCC2)C3=CC=C([Si](C)(C)C)C=C3,RFJGMGIHBVIEPM-UHFFFAOYSA-N
-2DB568C0AAE28ED4_8770704427E376D1_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(CCC)C)=O,VGYRCLSGISADQP-UHFFFAOYSA-N
-2F0E6F225DF24D17_DD5401316BB33B7C_6038_UN,N(C1=CC(=CC=C1)N2CCOC2=O)C(C5=CC3=C([NH]C4=C3CN(C)CC4)C=C5)=O,LSFTXWUTNIQEKT-UHFFFAOYSA-N
-2F5D0D0236F4342B_EA18865704844AA5_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C3=C[N](CC)N=C3C4CC4)=O,HDZKJTXNDIFWFU-UHFFFAOYSA-N
-30D9E0F69074264C_2091CA7A3A5F497D_6038_UN,CC(=O)C3=C(OC(CN1C(CN(C)C1=O)=O)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,YPDQSIAOBCFWRF-UHFFFAOYSA-N
-30F34CE33C088835_20137F5FC8349095_6038_UN,CCOC(=O)C1=C(C=C[NH]1)NC(CCC(OCC[N+](C)(C)C)=O)=O,ZVTIZWOOPKSMGB-UHFFFAOYSA-O
-312004AEEA15689A_D34929D2106A50A4_6039_UN,O(C1=C(C2=C(C=C1)C(=O)CCO2)F)CC(NC3=C(C(O)=O)C=CC=C3)=O,AWAAJGMMXCLPTO-UHFFFAOYSA-N
-3127883FFD3D6C8A_13982CECF38CCFA1_6029_DP,N1CCN(CC1)C2=CC=C(C=C2)CCN[S](C3=CC=C(C=CC)C=C3)(=O)=O,GNOHQGLTORWGJM-UHFFFAOYSA-N
-326CFBB315164654_E5E72986A75654DB_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C=C(C=C2Br)C#N)Br,JWUSJUOOTQVVQO-UHFFFAOYSA-N
-336F3740A694CB68_3C36BACE92C0F7AE_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(C(CCC)CCC)=O,ZYVASNZZKIUZIC-UHFFFAOYSA-N
-3390C1E0924C081F_7041A100B9BF8786_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4=C(C)OC5=C(C4)C=CC=C5)=O,SYIHZWQGHBYCBF-UHFFFAOYSA-N
-34088E1FCA1C151D_F068238C719EBAF8_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=CC(=C3)[S](C)(=O)=O,VOEFHXNXHZHBPJ-UHFFFAOYSA-N
-35C78DEB5A3215C2_F1FBC1627888820E_6041_UN,CC(C1=CC=C(C=C1)NCCC3=CC=C(N2CCN(C)CC2)C=C3)[S](=O)(=O)C,FLTCIISYMRPHND-UHFFFAOYSA-N
-35C7D77CC0C00ABF_59477536CD428DE7_6003_UN,O(C1=C(C=C(C=C1)C2CC2)Cl)C3=CC=C(C(F)(F)F)C=C3[S](=O)(=O)Cl,DDDLLIAERNQFNI-UHFFFAOYSA-N
-36A1B159541C4986_2C39686150F83D21_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(CN2CCCC2=O)[N]3C4=NC=CC=C4)(=O)=O,DRTDCQLYGGMMRY-UHFFFAOYSA-N
-36AF9CAB6FE9D363_0522F2F087E12327_6029_UN,N(C[C@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,QQDOASLGYUYTGD-OTVXOJSOSA-N
-399A23A230A0438D_0FA14B30F623D4BB_7019_UN,C(C(=O)NC1=C(C=CC=C1)N2CCCC2=O)=CC(CCC)C,YHGFOTLUUGVUCK-UHFFFAOYSA-N
-3B98F415495835F1_6B9112853C3AE203_7019_UN,C(C1=CC(=CC=C1)C2CC2)=CC3=CC=CC(=C3)[S](Cl)(=O)=O,AUDSICDAPAFKCS-UHFFFAOYSA-N
-3C673A2FD32408E0_1CB1772D0FC71CC6_7019_UN,C(C(=O)NC1=CC(=CC=C1)N2CCCC2=O)=CC(CCC)C,VISHULSAUTUMAW-UHFFFAOYSA-N
-3CF26B06C2A4EC2C_944A46D29BA1F1A8_6029_UN,FC1(CN(C1)[S](C3=CC=C(C2(F)CC2)C=C3)(=O)=O)C#C,LORLWTZXBXJAKZ-UHFFFAOYSA-N
-3CF7F24506FE2765_38DB000F1C5C44EC_6038_UN,O(C1=CC2=C(C(=C1)[N](=O)=O)C=CC=C2)C(=O)C3=NC=CN4CC[S](=O)(=O)N=C34,DPWDFQFLSSEEIZ-UHFFFAOYSA-N
-3D7869A882C42A35_0C50B26D16C352F1_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C2=NC=CC3=C2CNCC3)=O,NZMUOEFJZDKRQD-UHFFFAOYSA-N
-40F8482111AF17DB_FEC8AA03C682B704_6028_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,JHWAGYNUYJPIGG-UHFFFAOYSA-N
-41862F890C0F160F_7E064FA8EBA1BD34_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,ZXBHPNFOCVIAPP-DZGCQCFKSA-N
-419EE9CEDA4BEA29_8445C38746CA72D9_6029_UN,N(CC1(CC1)C(O)C2=CC=CC=C2)[S](C3=CC=C(C(F)F)C=C3)(=O)=O,QOKCUQUWUCJQRG-UHFFFAOYSA-N
-41F36B656A65F542_0A63398E1BCE4A77_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(C(CC)CC)C)=O,AUOVRRYYAFDIJZ-UHFFFAOYSA-N
-43A9BBD29DB1FA70_2ECA4D71F032DE15_6038_UN,N(C1=CC=C(C=C1)[N]2C=C(C#N)C=N2)C([C@@]34C[C@@H](C)[C@@H]3C4)=O,YNFMYIITDNGUIX-XQAQDONZSA-N
-45B42B8C9AD7B4CC_C936F9E6F8152A05_6029_UN,C1N(CC=C(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C5=CC=C(C4(C(F)F)CO4)C=C5)(=O)=O,FHHJDIUKDAWXTC-UHFFFAOYSA-N
-45F61D30E4B7B7CD_17620D5EF0F2B661_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)NCC4=CN=C(N3CCCN(C)CC3)C=C4,MZLSPKWRGCHINI-UHFFFAOYSA-N
-49E4BBBDA8ECD0DD_E2452400A4BA77D9_6029_UN,N(CC=CC1=CC=CC=C1)[S](C2=CC=CC(=C2)[C@@H]3C[C@H]3[S](Cl)(=O)=O)(=O)=O,PNYBNALMEHGEQX-ZWKOTPCHSA-N
-4D7FB31761A01076_07AF02E7EBB0C66D_6003_UN,CC1=CN=C(N=C1)N4CCC(OC3=CC=C(C(NC2=CC=CC(=C2)[N](=O)=O)=O)C=C3)CC4,MEIMGSODMNELNY-UHFFFAOYSA-N
-4FAE105A64304A78_B24537B2AE1446F4_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C4=CC3=C(C)C=CN=C3C=C4)=O,VKWZNIKZOGUDAJ-UHFFFAOYSA-N
-51A8F71B6BF1B907_BD8E718EB713D7ED_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NCC3=C(C=C(N(C)C)C=C3)C,MJVDPISRWYFEES-UHFFFAOYSA-N
-5385CD1CE4CD7096_1F681E26F0BBA449_6038_UN,N(CC1=NC(=N[NH]1)C2=CC=CS2)C(C3N=CN(C)C3)=O,YVXXVOHKAPRYEC-UHFFFAOYSA-N
-54DC9BF3F72F730D_5665C69983FCC7D1_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(CC)=CC)=O,AWIRMFMIWGAAHG-UHFFFAOYSA-N
-557E6B30086650DF_B5F1049816200C80_6029_DP,N(N[S](C1=C(C=CN=C1)C2=CC=NC=C2)(=O)=O)CC3CCC3,AOYCBQZZJFQOOY-UHFFFAOYSA-N
-5696718679CCFAA9_9DD2CD6C7C2A70B5_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3=N[N](C2CCNCC2)C=C3)=O,YBHIVSXLQCUMQF-UHFFFAOYSA-N
-5709C10E8D1C15BE_F4BA8EBF6030F9D3_6041_UN,CC1=C(C(=CC=C1)N=C=O)NCCC(N3CCN(C2=CC=CC(=C2)C)CC3)=O,JPYAIDYJPWJEFI-UHFFFAOYSA-N
-57F0C0EF31E8BB5F_2C40B21B04BFD1B6_6029_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)OC(F)(F)F)[S](C3=CC(=C(Cl)C=C3)C=C)(=O)=O,HDKAHMVEMMMPRR-DOTOQJQBSA-N
-5AC244E40874E277_D5EFD6E1DAFC7A58_6026_UN,ClC1=C(C=C(C=C1)[S](=O)(=O)NCCC=CC2=CC=C(C=C2)Br)C#N,NXEOJJXGPLNZDB-UHFFFAOYSA-N
-5D4F88CAA16F9F3E_6246EF8DF307F37C_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC4=CN=C(N3N=C(CC)CC3=O)C=C4,GZCDGLLBCPLNQP-UHFFFAOYSA-N
-5D68659AE5FE79F2_B12E93A0986841D6_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)F)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,IVBSEJYYGGLCBA-MQMHXKEQSA-N
-5F6018260FE7573A_6ABE23706ACE12DC_6026_UN,CC1=NC(=CC(=C1)[S](=O)(=O)NCCC2=CC=C(C=C2)C3CC3)C,INJOZERVAZHRLZ-UHFFFAOYSA-N
-622C065E65609C63_ED80FEF535EF49AD_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C=CC3=C(C)N=C(C=C3)N)=O,XMTGPKFIGHCKCQ-UHFFFAOYSA-N
-63141EB54CC90EE0_1CE61984EA36E15F_6029_UN,N(CC1CCN(C1)C2=CC=CC=C2)[S](C3=CC(=CC=C3)C4(CCC4)C#N)(=O)=O,KSQMBXDLPHSWRN-UHFFFAOYSA-N
-64676112DA2CA2AF_82FEF895770DABBA_6041_UN,CC3=CC1=C(C(=CC=C1)NCC2=NN=C(N(C)C)[NH]2)S3,JJXZYRSIMBUKNV-UHFFFAOYSA-N
-65A0A3B6FAB9BC7B_742C4F12E46079A8_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2)OC(F)(F)F)[S](C3=CC(=C(F)C=C3)C=C)(=O)=O,SDFYJBUSVOUSAB-GOEBONIOSA-N
-662D6AD521424E72_3339D9DDA7ECC92A_6038_UN,CC1=C(C=CC(=C1)NC(C(C(CC)CC)C)=O)N2CCCC2=O,FVWMVMPETXBPKK-UHFFFAOYSA-N
-66DCB7BEB0D5AE2C_8ACB3831B00CF33F_6029_UN,N(C1CCCC(C1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,OZAPUKROJDLCJF-UHFFFAOYSA-N
-67834773CF3ECEE6_237EF00111B9F2D3_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=C(C(=C3)Cl)[S](=O)(=O)Cl)Cl,MVLNIBMQTDCSQC-UHFFFAOYSA-N
-68A6FEE05AACC2B3_6F607398C10010C1_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,ZMKCBTGEKKIPJL-UHFFFAOYSA-N
-692EB3D27CF0F4DC_30A93009EE2A6F49_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CCN(CC)CC)=O,FQQNHQNJUMVIOU-UHFFFAOYSA-N
-69EA22716D37F9AC_D2BA755EA2BD5634_6038_UN,CC1=C(C=CC=C1NC(CC(CCC)CCC)=O)N2C(=O)CCC2=O,OAZQNQJVKURUTM-UHFFFAOYSA-N
-6C895926D1EAB4EC_9D0FD3E9025CA6C9_6041_UN,OC(=O)CC2=C(C=C1OCOC1=C2)NC4=CC3=C(N=C(C(C)C)S3)C=C4,HMCNUEYCEIKSRF-UHFFFAOYSA-N
-6CAE21C40BEEB847_3F39983DD3F291E5_6038_UN,CC1=C(C=CC=C1NC([C@H](CCCC)C)=O)N2C(=O)CCC2=O,OIBJXICMWSKXBN-LBPRGKRZSA-N
-6D6F66A74240E956_2B0A420AE04210F8_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(CC(CCC)(C)C)=O,GHSAAWGRCOOGED-UHFFFAOYSA-N
-6DEA64504ACEB917_0AE0AB765CEC1C11_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC(CC#N)(C3=NC2=C(C=CC=C2)S3)C(F)(F)F,YMTAHTQLQSYVHA-UHFFFAOYSA-N
-6EF6ADC1FF5B72FD_DCF001FC6AA49AD9_6038_DP,CC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)[S](=O)(=O)O)N3CCNCC3,BXMVDSPBNQHBQP-UHFFFAOYSA-N
-70089C9CB2C65BDA_E76730A1A64C3C5A_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H](CCC)C(=O)OC,UKHRULOCIPKTPS-ZDUSSCGKSA-N
-70DC98084A9EB80B_D42A4A084E5A0D53_6038_UN,N(C1=CC(=CN=C1)C3=NC2=C(C=CC=C2)S3)C(C4CCN([S](C)(=O)=O)CC4)=O,RFWBYOMQYXKRRJ-UHFFFAOYSA-N
-70F7534AC393744F_F49DF713B2EB15FE_6035_UN,O(C(CC(F)(F)F)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)O[S](=O)(=O)O,LJIWTOJWSTUIKR-UHFFFAOYSA-N
-70FBEDF18765A6EA_AC823D3D762FF7B7_6035_UN,CC(OC1=C(N)C=C(C=C1)[S](=O)(=O)O)CC2=CC(=CC(=C2)F)Br,NSPQRGLEZUOPHH-UHFFFAOYSA-N
-7101636529796BD5_D40C45AD6344DF52_6038_UN,N(C1=CC=C(C=C1)N2CCOC2=O)C(C5=CC3=C([NH]C4=C3CN(C)CC4)C=C5)=O,PUCGSBSGWPMQIY-UHFFFAOYSA-N
-724304FAD41D283F_B3F8A5A12D38C6DF_6034_UN,ClC6=C(C=NN(C2=NC1=C(C=CC=C1)N2C3OC(=O)C5=C3C=C4OCOC4=C5)C6=O)N7CCNCC7,HSRXDFMCSNPPQF-UHFFFAOYSA-N
-72B71061B64B7C08_72192158E9EAE964_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)NCC(C3=CN=C(N(C)C)C=C3)(C)C,AARGNQYSLLSEAS-UHFFFAOYSA-N
-73F1314F03B0ADD3_66108C5B08DD6B8D_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C5=CC3=C([NH]C4=C3CN(C)CC4)C=C5)=O,WZKHZOUPZKXSGB-UHFFFAOYSA-N
-75548F92911C9A90_93D422074B0A41C2_6029_UN,CC1C(CC1N[S](C3=CC=C(C2CCCN2C)C=C3)(=O)=O)C4=CC=CC=C4,XOKBPBKIXZBOJS-UHFFFAOYSA-N
-75757A92270AA303_DCA708DA729C29E2_6029_UN,N(C1CCCCC1CC2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,XYMUKYHLGZQAJM-UHFFFAOYSA-N
-75F192D9822F8FEB_E825001279E98AF4_6031_UN,CC2=C1C(=C[NH]C1=CC=C2)CCC(=O)OCC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F,OILVMDBCYQMPMZ-UHFFFAOYSA-N
-76171AB6DA0AACFC_7555C3505252B777_6026_UN,ClCCCC1=CC=C(C=C1)[S](=O)(=O)NCCC2=CC(=CC=C2)[S](F)(F)(F)(F)F,HWJKSQDRUBSGPF-UHFFFAOYSA-N
-7A69E165FF8BE8E5_BC09183D80A74EED_6028_UN,N(CCC=CC1=CC=C(C=C1)Br)[S](C2=C(C=C(F)C=C2F)F)(=O)=O,UVUCCXAZQHRBOH-UHFFFAOYSA-N
-7C9F61AFFE80CC89_CDF815E27331996A_6041_UN,O=[N](=O)C1=CN=C([NH]1)NC2=CC=CC3=C2OCCC3N(C)C,KEVUDOPWEJGSNA-UHFFFAOYSA-N
-7E4D5302DE7C6271_6CEC152241A8355D_6028_UN,C[S](=O)(=O)N(C1=CC=C(C=C1)B(O)O)[S](C3=NN=C(C2=CN=CC=C2)[N]3C4CC4)(=O)=O,JHDFXFAAAVXQFF-UHFFFAOYSA-N
-7E7F102C7BAD2FE8_0190401B10A3DD0C_6041_UN,CN(C)C1=C(C(=NC=N1)NC2CC(C)(C)OC3=C2C=CC=C3)[N](=O)=O,GSAKCRCOHZLQOS-UHFFFAOYSA-N
-7EAAC053917E028A_851AFA944D7B039A_6029_UN,ClC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,FDXMGVUPUSXQDB-UHFFFAOYSA-N
-80D3FFC38D471D27_85E604EB144D1419_2201_UN,CC(C)C4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C5=C4C=CC=C5,FTZBIWBSLMBKTR-UHFFFAOYSA-N
-822CE8CBC06DF83C_CE3275273A9D1EA7_6041_UN,OC(=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(CC)C(=NC4=C3C=CC=C4)C,VDPVMIXDBVUBAD-UHFFFAOYSA-N
-8297806ADDB4B07B_3437C1CCB318D25B_6039_UN,CC(=O)C3=C(OCCN1C(CN(C)C1=O)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,CIHRKHSRYKGZKM-UHFFFAOYSA-N
-82E2DFC2D0C2074C_CA1014FDA49F1DC9_6038_UN,CC1=C(C=CC=C1NC(CC(CCC)CC)=O)N2C(=O)CCC2=O,GBTVIWKHRHNNHR-UHFFFAOYSA-N
-83BB551F0E9A2129_17B615D1C3868FDD_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(C(CCC)CC(C)C)=O,AQRXJZXNZNGXRS-UHFFFAOYSA-N
-85B3616A35C54C02_8C3A6A4CD3ED992B_6039_UN,CCC(=C(N=O)C(=O)OC)OCC[N]1N=C([N](=O)=O)C=C1,AOAGMDCCYBBWCN-UHFFFAOYSA-N
-85E40BB00784D4A7_638AEFBEA5FBF3CB_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(CN(CC)CC)=O,GSWDBRQNMOAXFF-UHFFFAOYSA-N
-8C164D2E20564358_0697E1D695EE16C0_6029_DP,N4CC1=C(C=CC=C1)OC2(CCN(CC2)[S](C3=C([Si](C)(C)C)C=CC=C3)(=O)=O)C4,VTLPUMMYNZGGFZ-UHFFFAOYSA-N
-9044180E368E4E95_24903A107C856FD5_6041_UN,OC(=O)C1=C(SC2=C1SN=N2)NC3=CC=C(C=C3)CN4CCOC4=O,MFRUMPSPHJGPEH-UHFFFAOYSA-N
-9044180E368E4E95_5764878EDAAD3B98_6041_UN,OC(=O)C1=C(SC2=C1SN=N2)NC3=CC=C(C=C3)CN4CCOC4=O,MFRUMPSPHJGPEH-UHFFFAOYSA-N
-9168E2C7E8939EC1_85748C25A4F37B8E_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=C(C(C)(C)C)C=C3)[N]4C5=C(C=CC=C5)Cl)(=O)=O,NDTGFBBJWYDSGZ-UHFFFAOYSA-N
-9213D2F428B58090_FF78FB1530488743_6038_UN,CCCOC(=O)C[C@@H](CNC(=O)C1=C[NH]N=C1[N](=O)=O)CC(C)C,NLYMPWZDLFDLGK-NSHDSACASA-N
-96AC5C1D447145B4_96A8BDA1D9811EC9_6038_DP,N(C1=CC=C(C=C1)N2C(C=CC2=O)=O)C(C(C)=C3CNC3)=O,BMOZYAYAFZEQTA-UHFFFAOYSA-N
-9A7373A8963F0BBE_4B8F91627CCB909D_6029_UN,ClC1=CC=C(C=C1)[S](=O)(=O)N(CC=C)[S](C3=C(Cl)C=C2OCOC2=C3)(=O)=O,KJFVZGBRGFUFTN-UHFFFAOYSA-N
-9A9907A86535BDC5_7DE7F99416819610_6041_UN,C1(=CSC2=C1C=C(C=C2)C#N)NCC3=NN=C(N(C)C)[NH]3,GSDGWRRTZQFQTE-UHFFFAOYSA-N
-9AB5E463898CDF8C_692315E499C4BF1F_6029_UN,FC1=C(C=CC=C1)C2=CCN(CC2)[S](C3=CSC(=C3)C4(C)CCO4)(=O)=O,YHTOHIPQFRXWQO-UHFFFAOYSA-N
-9AE3DE9AC5CB6EE8_FF8B4F399F03DF2C_6029_UN,N(C1C(C1)CC2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,WMBXODDGFSZUAJ-UHFFFAOYSA-N
-9D61C03163009DA7_39977E3DFA9B9F27_6029_UN,N(C1CCCC1CC2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,WLRAKMGASKJXKQ-UHFFFAOYSA-N
-9D65A531C22412A3_0A3D083485AB4CAA_6038_UN,N(CCOC1=CC(=CC(=C1)F)F)C(=O)C2=CC=CN3CC[S](=O)(=O)N=C23,QBHBOPXOXRMDLG-UHFFFAOYSA-N
-9D7D098EECB99113_4CA4572030F4B554_6029_UN,OC1(CN(C1)[S](C3=C2OCCCOC2=CC(=C3)CC#N)(=O)=O)C4=C(C=CC=C4)F,DQELXSSMMNURPQ-UHFFFAOYSA-N
-9D7DD4280C90ED0E_E50FAD53D86B7F7B_6035_UN,O(C(CCC=C)C1=CC(=CC=C1)Cl)C2=C(N)C=C(C=C2)[S](=O)(=O)O,VHNGHBGXRNHGRK-UHFFFAOYSA-N
-9E3124F157950EF2_AD6A2BF63B6EE431_6029_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,DBTMUQOHMFKUIG-UHFFFAOYSA-N
-9E872D7ADBD2722F_2EAA729F7EA86930_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C(=C2)F)Cl)Br,CDXDBOIDVGCBKS-UHFFFAOYSA-N
-A0450420079BB8FE_27C9791555B58D6D_6041_UN,CN(C)C1=C(C(=NC=N1)NC2=CC=C(C=C2)CN3CCOC3=O)[N](=O)=O,MWTGTBOOTRFVSP-UHFFFAOYSA-N
-A576430B1EB6C7FF_E5295EFBBB331037_6029_UN,OCC1OC4=C(N(C1)[S](C3=CN=C(N2CCN(C)CCC2)C=C3)(=O)=O)C=CC(=C4)F,VWTSEMOIHYHUNM-UHFFFAOYSA-N
-A5BD8111AD1DEFD4_47CA6FEBF7B86046_6026_UN,CCC(C)C1=CC=C(C=C1)[S](=O)(=O)N3CC2(C(F)(C2)F)C3,RRRNVKPTSDWFOZ-UHFFFAOYSA-N
-A77B636457F86BF0_E643E95ED5CC21C0_6038_UN,CCN(N)CCOC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,OCCXMMBTZAAHEH-UHFFFAOYSA-N
-A79E767ACED5EFC9_6433C1FA6DA4DBE7_6038_UN,N(C1C2=C(OCC1)C=CC(=C2)C3=CC=CC=C3)C(C4CN([S](C)(=O)=O)C4)=O,RDYVQHLGMZRSOG-UHFFFAOYSA-N
-A7EBE2D7574BCFDF_4D918024C827F5D2_6038_UN,O(C1=CC=CC=CC1=O)C(C2=CC(=C(C(=C2)Cl)Br)C)=O,SPWKIDHODSFUPC-UHFFFAOYSA-N
-A8BFD68C0268F5A4_F6B0FF4FD4A92E2D_6038_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)C(CO[S](C)(=O)=O)=O,RCIHTRFUFLYGNJ-UHFFFAOYSA-N
-A9B5D3FFE53B8186_D59C5AD09A8C2956_6041_UN,OC(=O)C1=C(C=CC(=C1)N2CCCC2=O)NCC3=CN=C(N(C)C)C=C3,SRFSDLXOCDSJLN-UHFFFAOYSA-N
-AA28D565426F876B_C7F353D996A67DE0_6029_UN,N#CC(=C1CCN(CC1)[S](C2=CC=C(C(C)(O)CO)C=C2)(=O)=O)C3=CC=CC=C3,OEQTYVYYHKENTO-UHFFFAOYSA-N
-AE4F663E4C2658C9_559A30188F53BBF6_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC(=CC=C3)C#N,OBVMFAAIARLLBV-UHFFFAOYSA-N
-B41BFCD62E076243_70CD46635B4B61AF_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=C(C=C(C=C3)N4CCOCC4)C(=O)O,GORZCQPDGWTWIB-UHFFFAOYSA-N
-B4B845169CC1F7CD_A36B2993CA9CC84C_6041_UN,CC(=O)C2=C(C=C1OCCCOC1=C2)NC5=CC4=C(N=C(C3=CC=C(C)S3)S4)C=C5,QOTVDGABCFCCMV-UHFFFAOYSA-N
-B79AD0F0945C1A70_8AE64F595E556B10_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NC5=CC4=C(C=C(N(C)C)C=C4)C=C5,SQEAAXRPFBJNKP-UHFFFAOYSA-N
-B8297A47BFE5E91A_470C216EA92A5332_6029_UN,C1C2(C1)OC4=C(N(C2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O)C=CC=C4,PSSYYMWGACBRSV-UHFFFAOYSA-N
-BB34066427F23A73_66E115A90C6B742F_6029_UN,N([C@H]1[C@H](CCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)[S](F)(F)(F)(F)F)(=O)=O,NQVHLIKLQWWONF-IAGOWNOFSA-N
-BBB975033FBB26BD_D4AE2E93906CC5E1_6035_UN,O(C(CC#C)CC1=CC=CC=C1)C2=C(C(=C(C(=C2)F)F)F)[S](=O)(=O)Cl,QVXCRSJKTVXSOP-UHFFFAOYSA-N
-BE41D1C107BA9866_AAE46000FED22BA5_6041_UN,FC2=C1C(=N[NH]C1=CC(=C2)C#N)NCCC3=C(N(C)C)N=CC=C3,NUXCFKQFGFKQES-UHFFFAOYSA-N
-BF5BA3B74B93981E_A021BA76A95FD3E0_6035_UN,O(CCC1=CC(=C(C=C1)F)Cl)C2=C(N)C=C(C=C2)[S](=O)(=O)O,IOELAQNYVVLKIX-UHFFFAOYSA-N
-BF8B2BEFBAF4F8ED_9594D094E9A0F0CA_6041_UN,CC1=C(C=NC(=C1)[N](=O)=O)N[C@H]2CCOC3=C2C=C(C(C)C)C=C3,YLEZQZYGRJHPQU-HNNXBMFYSA-N
-BFEB5DC9055AE066_A882B0547580C855_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=CC(=CN=C2)C#N,FGMSNQMIPTVWTP-UHFFFAOYSA-N
-BFFC3CDD048D801C_5A837406B079A2BA_6041_UN,C1(=CC2=C(N=C1)OCO2)NCC3=C(C=C(N(C)C)C=C3)C,KRWBNSTWNAEKLA-UHFFFAOYSA-N
-C088E8B78DDC1998_2544FB11A73E5F23_6029_UN,N(CC(CC=C)C1=CC=CC=C1)[S](C2=C(C(=CC(=C2)F)F)F)(=O)=O,FSIAMXOORHCCQG-UHFFFAOYSA-N
-C24594E5E7B1409C_747C73B426043D61_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H]([C@H](CC)C)CN(C)C,FGFVTTQREPZJRK-SMDDNHRTSA-N
-C3DC80CED074C69B_0714327446E5AA31_6029_UN,N(CC=CC1=CC=C(C=C1)F)[S](C2=CC(=C(C=C2F)F)C)(=O)=O,FKBREWHMIZWSEE-UHFFFAOYSA-N
-C47033890B4F6C6B_9A423850A9FB9CCF_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(NCC)C)=O,DRWJBXDBEPAROW-UHFFFAOYSA-N
-C7146C4519A816D0_5F67C01E22973E51_6041_UN,CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)N[C@@H]3C(C)(C3)C,YDJMZYPBVTXBHI-LBPRGKRZSA-N
-CA6A6AA0DC1A639F_46DD0B1F3F19CD77_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC(N)C3=CC(=CC=C3)[N](=O)=O,NTYXLYALIYUNSR-UHFFFAOYSA-N
-CA8170A655336806_2CC657445F5E4B17_2201_DP,N5C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4(CC4)C5,VXPADXUJFBSQDW-UHFFFAOYSA-N
-CACE7219661B09D8_4E57810ECABC9DEE_6035_UN,O(C(CC1=CC=CC=C1)C#C)C2=C(C(=C(C(=C2)F)F)F)[S](=O)(=O)Cl,GHMNKJCXNLSHBI-UHFFFAOYSA-N
-CC3ADE786852A458_909572FA75D2B135_6038_UN,N(C1=CC(=CC=C1)N2CCC2)C(C(CCC)CC(C)C)=O,LPKNHCQPVHWKHT-UHFFFAOYSA-N
-CC62703CE84968C5_442CF23021B3057C_6038_UN,CN(C)CC1=C(OC=C1)C2=NC(=N[NH]2)CNC(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,FRFZQAUHVTZCKS-UHFFFAOYSA-N
-CD988FD1B753FDDA_809C5126EE943C29_6038_UN,CC1=C(C=CC=C1NC(CCCCC)=O)N2C(=O)CCC2=O,LAFZOHXIWIDKGI-UHFFFAOYSA-N
-CE041CC176FBFE2C_2CFBE5AC2B14AC1B_6029_UN,N(CC1CCN(C1)C2=CC=CC=C2)[S](C3=CC=C(C(C)CO)C=C3)(=O)=O,BIRARJBHVRUFLE-UHFFFAOYSA-N
-CE349F6A6B8ED60E_12BAEEE6FA54D24D_6035_UN,CC2(C)CN=C1NC(=CC(=O)N1C2)OC3=CC=C(C=C3)C#N,GRDIJLRCIKUCGY-UHFFFAOYSA-N
-D11440FADE58A90F_0009569DBCA36353_6038_UN,N(C2=C1OCCC(C1=CC=C2)=O)C(C3=CN=C(CC(C)C)C=C3)=O,QAGDRNQKNGKCHC-UHFFFAOYSA-N
-D2D54E490B86DB02_2463259DCEBB581B_6029_DP,N1CC(=C(C1)C#N)N[S](C3=NC=C(CC2=CC=CC=C2)[NH]3)(=O)=O,SUFVMUSQJYIALT-UHFFFAOYSA-N
-D300F06D950EA4DC_65FAB51B1776D66F_6041_UN,O=[N](=O)C1=C(C=CN=C1NC3=C(N2CCN(CC)CC2)C=CC=C3)C#N,PMYHJNSRQTUUIB-UHFFFAOYSA-N
-D371ABC6CC31F6DD_E9CAADF157F309E6_6041_UN,C1(=C[NH]C2=C(C#N)C=N[N]12)N[C@H]4[C@H](C3=CC=C(N(C)C)C=C3)C4,XUXOMDYSXHLOMX-LSDHHAIUSA-N
-D5EA65BBCF883DD4_AEE8B2EAFF13606C_6029_UN,C[Si]1(CN(CCCC1)[S](C2=C(CCBr)C=CC=C2)(=O)=O)C,ROEOBAXALHXYFM-UHFFFAOYSA-N
-D73E207021A05093_71CA58B982C88FBD_6026_UN,FC1=C(C=CC=C1Cl)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=C(C=C(C=C3)F)F,LBOMFUQWSHJJSE-HOMQSWHASA-N
-D7AF53D1A13E64BE_ECAAB657CFB356A1_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCCC3=C(C)C=CC=N3,GTZLMPWSYDCMRP-UHFFFAOYSA-N
-D7FBCE8C452DB2AE_64F602DB4A9DE654_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(C(CC)C#N)C=C3)(=O)=O)C,ZFIAWWKIJQMTLJ-UHFFFAOYSA-N
-D888AEA834DF2883_8D6A612C53F22C6B_7017_UN,N3([S](=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CC(N)(CC3)C4=NN=N[NH]4,YEFXNBDFBJVVCE-UHFFFAOYSA-N
-DA5095D04DD73519_2BEA19D4AD65EF12_6038_DP,N1CCN(C(=O)C1)C2=C(C=CC=C2)NC(C(NCCC)C)=O,MHZHDAREBNPWJA-UHFFFAOYSA-N
-DAC94993299FB94A_BEB9982E54F20FA9_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C3=C(C)C=NC4=C3C=CC=C4)=O,BGHGQWXSYOYZDO-UHFFFAOYSA-N
-DC68E805CFC7FEE1_16A79D06E3D9A2E7_6038_UN,C[C@H](NC(CCC(OCC[N+](C)(C)C)=O)=O)C1=CC=N[N]1C,RIXZGINWEFGLCT-LBPRGKRZSA-O
-DCEC24B58BA4FE86_532A1ACC244D8826_6038_UN,N(CCC1=CC(=CC=C1)[S](F)(F)(F)(F)F)C(C=CC2=CC=C([S](NC)(=O)=O)C=C2)=O,ANGNZBORGGUHNM-UHFFFAOYSA-N
-DEC73958D34C4B0A_431D864BEFE4A6C5_6038_DP,N(C2=C1C=CC=CC1=NC(=C2)C#N)C([C@@H]3CC(CN3)(C)C)=O,VNRRHBIMMPTACN-HNNXBMFYSA-N
-DFCABA62474357D5_F0B5415C6FE13C64_6038_UN,O(C1=CC=C(C=C1)N2C(=O)CCC2=O)C(C(CC)=C)=O,JYIAUPPJTBFEIA-UHFFFAOYSA-N
-E1D69F061B0D533B_D7AEFAA73ED812FA_6038_UN,N(C1=C(C=CC=C1)N2CCOC2=O)C(C3=C(C)C=CN=C3)=O,YGPOCJNMWALVKE-UHFFFAOYSA-N
-E3A2C87F5F189D0C_B16E7F2D7F8BFF61_6038_UN,CC1=C(C=CC=C1NC([C@@H](CC)N(C)C)=O)N2C(=O)CCC2=O,XZWPJRGLFVDUJI-CYBMUJFWSA-N
-E738ECCBD629F4DA_14A2A589D30C5107_6029_UN,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C3=CC=C(C=C3)OC4CC[S](=O)(=O)CC4)(=O)=O)C=C5,IODUYSKRRIUZCM-UHFFFAOYSA-N
-E7DDF4D2A87FF6DE_307BC0AA31B4008F_6026_UN,FC1=C(C=CC=C1Br)[S](=O)(=O)N[C@@H]2C[C@H](C2)C3=C(C=C(C=C3)F)F,XQPNGBSGNUVVJZ-HOMQSWHASA-N
-E8BC7E45C6ED5D46_9811A879CDC710E3_6035_UN,CC(C)OC1=CC(=C(C=C1)COC2=C(N)C=C(C=C2)[S](=O)(=O)O)Cl,YQGNDLVIGJAGIL-UHFFFAOYSA-N
-EAAFA4E88E3D144D_7F6A581E11F24750_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C3=N[NH]C(=C3)CCCCC)=O,ROSWWUIHTKFBSN-UHFFFAOYSA-N
-EB46129F2BB9475F_809FEBDF95E1DA4D_6029_UN,N(CC1CCN(CC1)C2=CC=CC=C2)[S](C3=CC=C(C(C)Cl)C=C3)(=O)=O,YXAHNAVMMVEMGX-UHFFFAOYSA-N
-EBF5519BE6EE6AB5_FB562238CEFB0D94_6041_UN,O=[N](=O)C1=C(C=CC(=C1)[N]2C=NN=N2)N[C@@H](C)CN(C)CCCN(C)C,CJBJPLIAGGQSCE-ZDUSSCGKSA-N
-EC02E643D691E0A7_5612CBEFD382AFD9_7019_UN,C(C1=CC=C(C=C1)C2CC2)=CC3=CC=CC(=C3)[S](Cl)(=O)=O,BYPKNQCFQFASKE-UHFFFAOYSA-N
-EC787F1B7FE74196_AEF7E9F31D7E49A1_6041_UN,CC(C)C1=NC(=NC(=C1)NC2=CC=C(C=C2)C3=CN=NS3)N(C)C,ZYZBQCSQZKAOEX-UHFFFAOYSA-N
-ED1579A811656592_531780DEF379253E_6038_UN,CC1=C(C=CC=C1NC(CCCC)=O)N2C(=O)CCC2=O,DWFJRDFUQBIPRA-UHFFFAOYSA-N
-ED18C49EB93F1EB8_FF57C5BD057E5ED0_6041_UN,C1(=NN=C2CCOCC[N]12)NCC3=C(N(C)C)C=C(C=C3)C,MIMCGNJAIWLHAS-UHFFFAOYSA-N
-EE54AF876EE5524B_A6AB3211D6DE740D_6003_UN,O(CCCN1C(=O)CCC1=O)C3=CC=C(C(NC2=C(C)C=CC(=C2)C(=O)O)=O)C=C3,RDMIGQVPDZFXHP-UHFFFAOYSA-N
-EFFF9AC95F38B846_B5ABC5B15C9DF335_6029_UN,N(CC1CC(C1)C2=CC=CC=C2)[S](C3=C(C=C(C(C)O)C=C3)F)(=O)=O,FOZCMXPATVDFIG-UHFFFAOYSA-N
-F098E60E545F84F8_2F43E41B10F7622E_6028_UN,C2N=C1C=CN(C=C1C2)[S](C4=NN=C(C3=CC=CC(=C3)OC)[N]4C5=CC=C(C=C5)Cl)(=O)=O,WSBYZJSXBIBNQJ-UHFFFAOYSA-N
-F1B79CA895E9F587_0906A537A9F26C31_7019_UN,C(C1=CC=C(C=C1)C2CC2)=CC3=CC=CC(=C3)[S](F)(=O)=O,QAKPNEUPPIVXGJ-UHFFFAOYSA-N
-F261CBF73AEB5960_A0FA0470AE673621_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=C(C(=CC(=C2F)F)F)F,DGBKBYHPOVYKAR-UHFFFAOYSA-N
-F2BF004BF1D6435F_F6A6E5413E57EA65_6038_UN,N(CC1OC2=C(C(C1)=O)C=CC=C2)C(C3=NC=CC(=N3)SC)=O,MIYDVQHRZBSFFQ-UHFFFAOYSA-N
-F6A5A5076B08C1B7_AC29252156162E10_6038_UN,N(C1=CC=C(C=C1)N2CCC2)C(CC(CCC)(C)C)=O,LZXPNQNHHBKEIV-UHFFFAOYSA-N
-F737D7B2EEE328B1_C42D2A9D459417FE_6038_UN,N(C1=C(C(=CC=C1)F)C2=N[NH]C=N2)C(C3N=C(N)CC3)=O,IVCXQGHFXMVSJV-UHFFFAOYSA-N
-F9C932F1B3202078_1EED9D9A192DEE3E_6039_UN,OC(=O)C1=C(C=NN=C1)OCC(N2[C@@H](C3=C(C[C@H]2C(OC)=O)C4=C([NH]3)C=CC=C4)C5=CC6=C(C=C5)OCO6)=O,FKGQJCGUVYWPFF-UQBPGWFLSA-N
-FB5E7E48EC6FDD04_3C8B34E8776267A9_7019_DP,FC(F)(F)C1=CC2=C(C=C1)SC(=N2)C=CCC(CC(C)(C)C)N,GFLNNDUEGDDXEN-UHFFFAOYSA-N
-FEA840B93C31D8C8_1DFD123CD34EE949_6029_UN,O=C(N1CCN(CC1)C2=NC=CC=C2)C3=C[N](N=C3)[S](C4=CC(=[N](=O)C=C4)Cl)(=O)=O,FHTGBFACJKXUFR-UHFFFAOYSA-N
-FF21B79D0B26D4F5_873DE30B148E6CFE_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C3CCC2=NN=C(C)[N]2C3)=O,ATXBUWJERRURTJ-UHFFFAOYSA-N
-FF30CFC7B8034D09_82AC24AC1617ED2B_6041_UN,C1(=NC=C(C=C1)[S](=O)(=O)N2CCCC2)NC3C4=C(OCC3)C=CC(=C4)C5=CC=CC=C5,JFMLUSCQDUQZGT-UHFFFAOYSA-N
-FF5E00F34CB1F964_215448E030E8F323_6026_UN,COC1=CC(=CC=C1)[S](=O)(=O)NCCC2=CC(=CC=C2)[S](F)(F)(F)(F)F,PWIWDFDWXLFKML-UHFFFAOYSA-N
-rxn:1:49446:38440,CN(C)C(=O)NCc1cn(CCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1,RWJSWVISQAGBMM-UHFFFAOYSA-N
-rxn:1:52917:5500,Cn1c(N2CCC(C(=O)NCc3cn(C4=C(Cl)C(=O)OC4NC(=O)c4ccccc4)nn3)CC2)nc2ccccc21,VSVJZXRLSMNMFY-UHFFFAOYSA-N
-rxn:1:53845:7888,O=C(Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1)c1cn(CCC2C(c3cnc(O)c(O)c3)C2(F)F)nn1,NTOYLLSQLIQKIY-UHFFFAOYSA-N
-rxn:1:60646:12722,O=C(NC1CCOC1=O)c1ccc(-c2cn(C3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)C3)nn2)cc1,LHNOSAWRLXNHOB-UHFFFAOYSA-N
-rxn:1:61978:10780,COc1ccc(C=C2SC(=O)N(Cc3cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn3)C2=O)cc1Br,ZRSXECNMMPSTDE-UHFFFAOYSA-N
-rxn:1:62786:39424,COc1ccccc1NC(=O)Cn1cc(CN2C(=O)SC(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)nn1,YAEULNSSPQJIBU-UHFFFAOYSA-N
-rxn:1:64758:24721,O=C(c1ccccc1)c1cc(Br)ccc1N1CC(Cn2cc(C3CC(=O)N([C@@H](CS)C(=O)O)C3)nn2)CC1=O,OGOMPXPKRHPAFK-KOBHVQJXSA-N
-rxn:2:103197:124940,CC(C)N1CCC(N[C@@H]2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-TWMPVWRBSA-N
-rxn:2:69214:124940,CC(C)N1CCC(NC2COc3cc(S(C)(=O)=O)ccc32)CC1c1ccc2c(c1)OCO2,VRRXBYPOVYCBRI-UHFFFAOYSA-N
-rxn:2:82615:140080,CC(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(N2CCS(=O)(=O)CC2)cc1,DDFJZDULOQJCQK-UHFFFAOYSA-N
-028065C095D32E23_F6B5CA25A78282C2_6038_DP,N(C1=CC(=CC=C1)N2N=NNC2=O)C(C3C[Si](CN3)(C)C)=O,RUPCKKBFLLOORX-UHFFFAOYSA-N
-02AFC7C18D4FBFFC_1722210AFD091DDB_6038_UN,O(CCCN1C(=O)C=CC1=O)C(C2(C(N(C(C)C)C)=O)CC2)=O,XZRYJGVTGVRDBL-UHFFFAOYSA-N
-03451A972E4D632B_84A7A87B064CDA02_6038_UN,CN(C)C1=NC(=C(C=N1)NC(C2(CC(C)=O)CC2)=O)N,XVZNBVQJJNARAF-UHFFFAOYSA-N
-0420F29C571F7314_8C759942FCF91CEB_6029_UN,CC1(CN(C1)[S](C2=CC=CC(=C2)P(C)C)(=O)=O)C3CC3,LZUVGGWFSYHDQZ-UHFFFAOYSA-N
-05D47E5E23C4BD44_F72B6A81AFD1D5CD_6038_UN,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(=O)C3(CC3)C#C,WCXUGYHLRKGFKN-UHFFFAOYSA-N
-05FDAE3B2C8900CC_C6361F572CC48882_6041_UN,CC1=N[NH]C(=C1NCC3=CC=C(C(N2CCN(C)CC2)=O)C=C3)C,YQVWFTRCWJAMRR-UHFFFAOYSA-N
-063CC7438BF988C9_DD966CEF9FD2F1A2_6038_UN,CCOC(=O)C3=NOC(COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)C3,VSLVCVMSZFPLIB-UHFFFAOYSA-N
-06405746E1CFE0B4_00828784211A1C8D_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC(CCN3CCNCC3)=O,JTUYUXZKTRNDGB-UHFFFAOYSA-N
-06DFC058F8331038_66FD555AF3A44143_6041_UN,C1(=CC=C(S1)C2CC(=O)C2)NC3=C(C(C)C)C=CC=C3C,QAAWJTFGSYLOKV-UHFFFAOYSA-N
-07024080CB458ADB_8E1561054A8A35D4_6038_UN,NC(=O)C1=C(C=CC=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,YBICQNGGGUAVDX-UHFFFAOYSA-N
-07B22F65DC591147_CC90A259FA8FE5F2_6038_UN,N(C1CCOC2=C1C=C(C=C2)F)C(C3=CC=NC(=N3)C4N(C)CCOC4)=O,IQYMTSRUZYFKLA-UHFFFAOYSA-N
-0A1FF6568309A221_6D292CAC709A8AB3_6038_UN,COCC(NC(C1=CC(=C(OCC)C=C1[N](=O)=O)OC)=O)C2=NN=N[NH]2,AYCXNFJWUTUTHK-UHFFFAOYSA-N
-0A22A32E2E6039E6_2BAF37A312BB515B_6038_UN,COC1=CC2=C(C=C1)OCC[C@@H]2NC(C4=CN=C([N]3C=CN=C3C)C=C4)=O,KGJBOTONZVPAFT-KRWDZBQOSA-N
-0A96096DFD448D85_9FF671CEB858A40A_6029_UN,COC1CC(C1)N[S](C3=CC=C(C2=C(F)C=CC=C2)C=C3)(=O)=O,YBMUQYJNNONPPA-UHFFFAOYSA-N
-0AECEF2E1AB11550_30163C8D8BDE9751_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCCNC2=O)CC4=C(C=C3OCOC3=C4)Br,WVNHAWBJKNRUKO-UHFFFAOYSA-N
-0B6EDEC8828B5FB3_0C8F7357CB2D42F0_6038_UN,CCCC(NC(C1(C(N(C)C)=O)CC1)=O)C2=NN=N[NH]2,YAQYJDDAFJVEKA-UHFFFAOYSA-N
-0BC198247D94E9C3_961871DFFD849217_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC(C2=N[NH]C(=N2)C)(C)C)N3CCOC3=O,NLLQAVYUZQZIPE-UHFFFAOYSA-N
-0E58BB48B0C1A7DB_2657C1DBCE69FA0D_6029_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3)[Si](C)(C)C)(=O)=O,GOXRFVSRKNRBQG-UHFFFAOYSA-N
-111705B0F876AE3B_9334DA36F9B857F1_6029_UN,N(CC1=CC=C(C=C1)N=[N]#N)[S](C2=C(O)C(=CC=C2)Cl)(=O)=O,LPZLZVYYMSMTNY-UHFFFAOYSA-N
-128129A99F2C1CA7_5B71E95939D87A58_6038_UN,N(CC1=CC(=C(C=C1)[N]2C=CN=C2)F)C(C4=CN=C(N3CCC(C)CC3)C=C4)=O,IXXNXLIXEXTKOO-UHFFFAOYSA-N
-15C13BCAC9F4B1B5_3EB51273D26992D9_6038_UN,CCCC(NC(C(=CC1=CC=C(N(C)C)C=C1)C#N)=O)C2=NN=N[NH]2,GVMDESBQNBTNPM-UHFFFAOYSA-N
-16749823292BEE75_0AD6D5751BFAD670_6028_UN,COC1=CC(=CC=C1)[C@@H]2C[C@H](C2)N[S](C3=CC=CS3)(=O)=O,FJXARQSMWNJCOU-JOCQHMNTSA-N
-16CA4236EDEF1080_21123FFDAF2697CB_6041_UN,C1(=C[NH]N=C1)NC3=C(C(N2CC(C)OC(C2)C)=O)C=CC=C3,BRPOEYVVLZTMEI-UHFFFAOYSA-N
-17097116EB7613EC_AE0E895A5C10A718_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)NC3=C(CCCC3)C#N,JGBPEIWTGYSQAY-UHFFFAOYSA-N
-176D87AC2922EB8F_CA4D3B563F85F1D5_6041_UN,CC3=C(C)C1=C(N=CN=C1NC2=C(C)C=C(C=C2)[S](=O)(=O)C)[N]3C4CCCC4,MZPHJEOLRKELKF-UHFFFAOYSA-N
-17CA31F636B05F17_A37595A7ED5905F9_6038_UN,N(C1=C[NH]N=C1C2=C(C=CC=C2)F)C(=O)C3=NC(=NC=C3)N4CCOCC4,JFSSJJFIIFNPFJ-UHFFFAOYSA-N
-18F6EA0AE413CDEE_5F915D3AF126CAD9_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3N[C@H]4C[C@H](CC4)C[S](=O)(=O)F,DBEJSZVBDJBYAX-VHSXEESVSA-N
-1BBAAB0B9D359AC3_12BF520A3EB25ECF_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)C(C3=C(C=C(C)C=N3)C)=O,IXUKDIVXUUHTBA-UHFFFAOYSA-N
-1CD4FDAF311F8ED3_F7903BA432C39DAB_6038_DP,CC2CC(CNC(C=C(C1=C(OC)C=CC=C1)C)=O)CN2,JGILDNIYCOOFTH-UHFFFAOYSA-N
-1D613E5EAA4E8063_A7B46A7C092BC53A_6038_UN,CC1=C2C(=CC=C1)[C@@H](CCO2)NC(C#CC3=C[N](C)N=C3)=O,UJOJUNLRNZDPQI-OAHLLOKOSA-N
-1EBCBC6A87B40C64_CF29441E2C248EDE_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(CC(OC)=O)C=C3)(=O)=O,GIKHIAYVYPMZMD-UHFFFAOYSA-N
-1F3FF338866694BA_4850768AB39944FC_6038_UN,N(CC1=CN=C(C=C1)N2CCOCC2)C(=O)C3=CC(=CN=C3)C4CC4,UZFHXMWLGKVVBF-UHFFFAOYSA-N
-245958FD737528E1_BD0162BAD7A605A2_6041_UN,F[S](=O)(=O)C1=CN=C(N=C1)NC3C2=C(C=C(OC)C=C2)OCC3,KNYODPDRCFLVNV-UHFFFAOYSA-N
-255EC876937A989C_F58541A5F8F186AC_6038_UN,CC1=C(C=C(C=C1)CCNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,ZPPRVQVEHVKICJ-UHFFFAOYSA-N
-27B997DC540A9300_3E962A1FE9F3264F_6038_UN,N(CC1=CN=C(N=C1)N2CCOCC2)C(C3=CC(=C(C(C)=O)C=C3)C)=O,JRDREJZRFGYJHH-UHFFFAOYSA-N
-289A198A31AF1B9C_99D1D22B4EEC7CD8_6041_UN,OC(=O)C2=C1OCOC1=CC(=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,UXVQTBSICNBUCR-UHFFFAOYSA-N
-2978D3D2FBA838C6_299EC91B023A21D1_6035_DP,N2CCC(=CCOC1=C(C(CC)=O)C=CC(=C1)F)CC2,BUPMBJHGXJIDHF-UHFFFAOYSA-N
-2A0259A33108CFF4_E42DBF166319B647_6039_UN,O(C(C1CCCC1)C2=NC=CC=N2)CC3=CC=C(O[S](F)(=O)=O)C=C3,BXRJCPBEQWKAQD-UHFFFAOYSA-N
-2C57EDA9A1C1595A_C068F56EBE903545_6041_UN,C1(=CC=C(C=C1)OC2CC[S](=O)(=O)CC2)N[C@@H]4C3=CC=CC(=C3OCC4)C,RKBVZUMRGZAWHM-FQEVSTJZSA-N
-2C583D8051EA4716_3A8619DF099315CE_6029_UN,COC1(CCN(CC1)[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=NC(=NO3)C4=NC=CC=C4,YOXWBQCDTAZWET-UHFFFAOYSA-N
-2C5F71532A9796EA_9B3D1F98C5CDB052_6041_DP,CN(CC1CNC1)C2=NC(=NC=N2)NCCC3=CC=C([Si](C)(C)C)C=C3,DAUSXUXBBFMXLA-UHFFFAOYSA-N
-2CD45FFB68ABEC99_426DE5AA7EBC6879_6035_DP,N2CCC(=CCOC1=C(C(CC)=O)C=CC=C1Cl)CC2,NIFDEGVUYABTOU-UHFFFAOYSA-N
-2CE623EC4993C830_52520E45C88ADD66_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4ON=C(C3=C(C)C=CC=C3)C4)=O,GNMZLMWDQBOLRG-UHFFFAOYSA-N
-2F24D5E6330CF581_8E5DB46E6D4D3074_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=CC=CC(=C3S)C,WKALMIDVTMJREO-UHFFFAOYSA-N
-2F24D5E6330CF581_DE16446EEB9C6925_6041_UN,C1(=CC=C(C=C1)C2CC(=O)C2)NC3=CC=CC(=C3S)C,WKALMIDVTMJREO-UHFFFAOYSA-N
-30A6C7D70592B510_82D82A70F07BED27_6038_UN,N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(C3=CC(=NC=C3)N4CCN(C)CC4)=O,LFNOPDUCEMJTQQ-MRXNPFEDSA-N
-31465E69645777E0_4E6DD0C1F412CD50_7022_UN,C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,BPRVDMINCHWYJO-UHFFFAOYSA-N
-3199EC92AD2AEF8C_7B169088FA8EBE14_6038_UN,CC1=C(C=C(C=C1)NC(C#C[Si](C)(C)C)=O)C2=NN=N[N]2C3CC3,IEAXKLBGWORVTB-UHFFFAOYSA-N
-3276C8DD847539A8_FED91DBDEF37122F_6035_DP,N2CCC(=CCOC1=C(C(CC)=O)C=C(C=C1)Cl)CC2,OQYGIHSFJYOXTF-UHFFFAOYSA-N
-32E55DD7EB5D18FC_78A780E64299D3C6_6041_DP,N1CCCN(CC1)C(=O)C2=CN=C(N=C2)NCC(=O)C3=C4C(=CC=C3)OCCO4,BFLGJNRIXBYFIK-UHFFFAOYSA-N
-3393E36B7311F0A7_E144E1457460B785_6038_UN,CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(C(CCC)=C)=O,QFTZZUPQVXKUBK-UHFFFAOYSA-N
-33A4B7B01B73ADE6_C004267721A25774_6041_UN,CN1N=CCC2=C1N=CN=C2NC3=C(C=C(C(=C3)N4CCOCC4)F)[N](=O)=O,HWRRGHCMRQUDIX-UHFFFAOYSA-N
-33F16B3E79E49B60_E75ADABAF7BD037E_6041_UN,CC1=N[NH]C(=C1NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3)C,VEPIVWAKCFBJMK-UHFFFAOYSA-N
-346755D6F1B4D9C1_4ADC07535151F5A3_6038_UN,CN2C(=C(COC(C1=CC(=C(B(O)O)C=C1)F)=O)C[N]3N=NN=C23)C,OUPBHYWHRYSSIH-UHFFFAOYSA-N
-3478CE54FEC3D6C7_FD6B4AA4F486A50E_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=C(C=C4)F)[S](=O)(=O)F,OAKURHZUOXWTDJ-UHFFFAOYSA-N
-35BF836F2F927257_B9CEB4D8FFAEC71E_6027_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,FWMFMKVAAUFCHI-UHFFFAOYSA-N
-3B057E1517AE6162_2D0FF05517EC6F73_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NCC3=CC=C(CN2CCCN(C)CC2)C=C3)[NH]4,GLNOZANXNWQEKG-UHFFFAOYSA-N
-3BBD88519772CFF7_505334B39D363933_6038_UN,N(C1=CC=C(C=C1)C2CCOC2)C(C3=N[NH]C(=C3)C)=O,SDIMWOAYANTZRU-UHFFFAOYSA-N
-3D39A5AFD5F5DD80_C6BE94B5C224A84C_6041_UN,O[S](=O)C1=C(N=CC=C1)NC2C3=C(OCC2OC)C=CC=C3,RBQRGPWARNNABX-UHFFFAOYSA-N
-403ED0BB38FB6051_70B911F372F0CF38_6038_UN,N(C1=CN=C(C=C1)F)C(C3(C2=C(C)C=CC=C2)CCOCC3)=O,JQIGYUXZMTZWOD-UHFFFAOYSA-N
-41F468DC75343DE1_CD73BABE9E655128_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)C(C3=CC(=C(C)C=N3)C)=O,IBQPNFJEGYCUBS-UHFFFAOYSA-N
-44C3DE8A46F8BE4C_F8ABB29B7884E39D_6039_UN,O(CCC1(CCC#C)N=N1)CCC[N]2N=C([N](=O)=O)C=C2,PQCLIXITCMLVDX-UHFFFAOYSA-N
-4535E217102998DD_7A57833E6CBAACC8_6034_UN,CN1C(=O)N(C(=O)C2=C1N=CC(=C2)Br)C[C@@H](C(C)C)N,LBVGMGHLMWKWAQ-JTQLQIEISA-N
-46E80B833D5A0AF4_206BBF11A5D87F17_6029_UN,N(C1CC2(CCC1)CC2)[S](C3=CC=C(CCC)C=C3)(=O)=O,FBOVCFFAKYLAHV-UHFFFAOYSA-N
-47075161F7AE1490_B01B655735EDBD1A_6041_UN,C1(=CC=C(C=C1)C2=CCC(=O)CC2)NC3C(OCCC3(C)C)=O,UWAOSQCXBALCOS-UHFFFAOYSA-N
-4815646A7D4944F8_E19A04E88EB04EF9_6039_UN,O(C1(CCCCC1)C#C)CC2=CC=C([S](C(C)C)(=O)=O)C=C2,DHOBJDMKVOUNAZ-UHFFFAOYSA-N
-491C739A819A5D83_614E1336BAA01AC6_6028_UN,N(C1=C(C=NC=C1)B(O)O)[S](C2=NN=C([N]2C)CC#N)(=O)=O,CZLNNZODFXTXJN-UHFFFAOYSA-N
-4936CEE6DBAF3D79_0148DB3A0784C2F5_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCC3=CC(=C(C(OC)=O)O3)C,WXIGYTIAGCKLSO-UHFFFAOYSA-N
-4AAB2A62BAB169A6_EDC62EF9E8203CD5_6029_UN,O=C(N1CCN(CC1)[S](C2=C(B(O)O)C=CC=N2)(=O)=O)C3=CC4=C(C=C3)OCO4,WUNPTXPIMIIYAZ-UHFFFAOYSA-N
-4CF32BD837718895_B18DC330EA784A54_6038_UN,N(C1=CC(=CC=C1)C2CCOCC2)C(C3=CC(=NC=C3C)C)=O,RFHBMNFBXLEXPU-UHFFFAOYSA-N
-4D085F6A724BED0B_05B5F309D882CB0A_6038_DP,O(C1=CN=C(C=C1)F)C(C2=C(C)OC(=C2)CNC3CNC3)=O,DOMVWEBYOZMPIC-UHFFFAOYSA-N
-4D315C576A91412C_1C10158BF32B3F81_6028_UN,N(C1=CC=C(C=C1)C2CCCC2)[S](C3=C(C=CC(=C3)C)C)(=O)=O,PLCJJCNHZBXBEO-UHFFFAOYSA-N
-4F8D8AAB8724FE5D_70DB6A72B8D575BE_6038_UN,N(CCC1=CN=C(C=C1)N2CCC2)C(C3=C(C)N=CN=C3C)=O,CVMUIGOOGGPVEI-UHFFFAOYSA-N
-52C917D54B31D076_46BCC5C6BEE9F2ED_6038_DP,CCC(NC(C1C[Si](CN1)(C)C)=O)C2=C[N](N=C2)CC,NWAHVCMRZBDANB-UHFFFAOYSA-N
-53BA7D4D6F6721E4_E4837C4D47487014_6028_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=NC(=CC(=C3)C)C)(=O)=O,BVBZNRPJLKRDHQ-UHFFFAOYSA-N
-5680C769886BC625_E8CD639EAAFE54BE_6029_DP,ClC1=CC7=C(C=C1)C(=C2CCN(CC2)[S](C5=CN=C(N4CCC3(CNC3)CC4)C=N5)(=O)=O)C6=C(C=CC=N6)CC7,MTIYKXNGXHEXLR-UHFFFAOYSA-N
-56D0D815A24853A5_F18BBF396946E9F4_6031_UN,O(C(=O)CC1=CSC(=N1)N2CCCNC2=O)CC4=C(C=C3OCOC3=C4)Cl,MYQUOKZHMCARBI-UHFFFAOYSA-N
-58847C8F08943B1C_C234A6ADF6C14534_6038_DP,N3C[C@H](NC(C1(CC[Si](C)(C)CC1)C2=CC=CC=C2)=O)CO3,HRXUMQDWTGGTPP-HNNXBMFYSA-N
-5A00C2A4426F0A49_956C26EAF51C7978_6039_UN,CN3C(=C(COCC(N2CCN(C1=CC=C([N](=O)=O)C=C1)CC2)=O)C[N]4N=NN=C34)C,FYXISJCUEGHIEW-UHFFFAOYSA-N
-5A67FB432208E096_295409EF0A71B732_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C#CC3=C[N](C)N=C3)=O,UJOJUNLRNZDPQI-UHFFFAOYSA-N
-5DF5896DECCFF499_CB78531452DF8E09_6038_UN,N(CC1=C(C=CC=C1)C2CC2)C(=O)C3=CN=C(N=C3)N4CCOCC4,XAERJLDNNVKCKP-UHFFFAOYSA-N
-5EF249415E45D8FA_9EDD5B3E0C9020DC_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)N3N(C)C(C(C(=C3C)C)=C4N=NN=N4)=O,ZOEBPOWTAHYWJR-UHFFFAOYSA-N
-5F53625DB551E16B_8D0A8CE66FE3FD29_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=CC=C(C=CC(OC)=O)C=C3)(=O)=O,AYDRESZIKRWREQ-UHFFFAOYSA-N
-633A2BD5188E4959_96121422EF994060_6035_DP,N2CCC(=CCOC1=C(C(CC)=O)C=C(C=C1)Br)CC2,HIHLIZLFRVOVJS-UHFFFAOYSA-N
-63B478BA5F083477_CC75C53479B137BA_6038_DP,CN1CCN(C1=O)C2=CC(=CC=C2)NC([C@@H]3CC(CN3)(C)C)=O,NFJHZMRALKXTFQ-AWEZNQCLSA-N
-671EFD98E756F2E6_15D8A263A854A754_2267_UN,OCC1CCC(CC1)C#CC2=C(CC(C)=O)C=CC=C2,UVIRMJQXZJIIBJ-UHFFFAOYSA-N
-6AE32848F92FA109_801A5B13539475AA_6038_UN,N(C1=CC=C(C=C1)F)C(C=CC2=C(C=CC(=C2)OC)OC)=O,YAIOOUKQOTYHON-UHFFFAOYSA-N
-6AFA8C3F29AE0385_D6450BE2BC94F68B_6038_UN,ONC(=O)C1=CC(=CC=C1)OC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,JKJDXHCQZSDCMQ-UHFFFAOYSA-N
-6BEB33CEAC9A5323_F25AC0B982AFEE46_6029_UN,N(CCC1=CCCCC1)[S](C2=CC(=C(C=C2)C)OC)(=O)=O,ZWSCLJIBGRCVIK-UHFFFAOYSA-N
-6E03C659E8DEBA3D_EBE21338C9C5484F_7015_UN,ClC1=CC4=C(C=C1)[C](=[C]2CC[N](CC2)[S](CC(CO)O)(=O)=O)C3=C(C=CC=N3)CC4,VGOAYYNUCRURMW-UHFFFAOYSA-N
-6F3AEFFD993EAAD1_8DEA7667AC1C2A5B_6038_UN,CN3CCCN(CCNC(=O)C1=C[NH]N=C1C2=CC(=C(C=C2)F)Cl)CC3,HBDLWBZMNAFBIS-UHFFFAOYSA-N
-6F9B9AAC7D78B5A8_DAAB80D42E95E9B5_6027_UN,C2N(C(C1=CC=CC=C1)C23CCCCCC3)[S](C4=CC=CC(=C4)[P](C)(=O)C)(=O)=O,OPGGFJBXXNVCCM-UHFFFAOYSA-N
-74CD3D6B8A350366_00E90E66FBA462E3_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4C[N]3C=CN=C3CNC4,PENSLJOKRDCLHB-UHFFFAOYSA-N
-7558AE536432D5A7_DB2CEA3EBDCD4A74_6041_UN,OC(=O)C4=CC1=C([NH]N=C1NC(CN3CCN(C2=CC=CC(=C2)C)CC3)(C)C)S4,OBYKXVTXLZRFHS-UHFFFAOYSA-N
-784B3D2EA76444AC_AD178D248D411B5B_6029_UN,O=[N](=O)C2=C1CCN(CC1=CC=C2)[S](C4=C(C3=NC(C)(C)CO3)C=CC=C4)(=O)=O,SSDDLMHSZPRDKW-UHFFFAOYSA-N
-78C7025BB239B950_96FFFF1D9DC835EC_6038_DP,N(C1=C(C=CC2=C1OCO2)F)C(C3(COC)CNC3)=O,RPRFYKMQPXPQRN-UHFFFAOYSA-N
-7A09F6A3921E483F_B70EBBA9C58F0200_7019_UN,C(C(=O)NC1=CC(=CC=C1)CSC2=NC=CC=C2)=CC3=C(CO)C=CC=C3,SQYZBZFWVLIUPW-UHFFFAOYSA-N
-7B115C295F9C6FAA_79D554472FB8BD20_6038_UN,O(C1CC[S](=O)CC1)C(C=C(C2=CC=C(CC)C=C2)C)=O,TUAZMDPCHPIPQW-UHFFFAOYSA-N
-7B5B1AD33A1F3182_3481D3BA31B32395_7015_UN,CN2CCC(C)(CN[S](C1=CC=C(C)C=C1)(=O)=O)CC2,VVDJVCVNKMWPMV-UHFFFAOYSA-N
-7BB4A8B2B032E1D8_481D342BB60FFA70_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC(C)NC3=NC=C(C=C3)Br,RRCPERWCPUVDDB-UHFFFAOYSA-N
-7C89C3AEE6D3AFD3_181D7AEF4A73C1CF_6038_UN,N(CCC1=CN=C(C=C1)N2CCC2)C(=O)C3=CN=C(N=C3)N4CCOCC4,IZQOLXIWGNXSOS-UHFFFAOYSA-N
-7E498CD3BF7199B0_3E13D764EE1ED8B0_6041_UN,CCC1=C[NH]C2=C1C(=NC=N2)N[C@H](CC)C3=CC(=CC=C3)[N](=O)=O,HBIHOOIVSALSNC-CQSZACIVSA-N
-7EECBC8F1835BB78_A9A3F16C890BE9F1_6039_UN,CC2=C(OCCCC(NC1=C(C(C)=O)C=CC=C1)=O)C(=O)CC2,XJAQARNTECOCAM-UHFFFAOYSA-N
-7FBF5E35881AFD7E_8C023F85499432F8_2267_UN,NC1=C[N](N=C1)CC#CC(B2OC(CN(C)CC(O2)=O)=O)=C,FSALZROZWPOYMI-UHFFFAOYSA-N
-7FE0489E6BD38889_954DF862F177846B_6028_UN,COC1=CC=C(C=C1)[C@@H]2C[C@@H](C2)N[S](C3=CC=C(OC)C=C3)(=O)=O,HZAICYQKXLKMCU-GASCZTMLSA-N
-8321CC8424194DAE_395AB3DBCD81E527_6035_UN,O(CC1=CC=C(C=C1)[S](=O)(=O)O)C3=CC=C(C2=CCN(C(C)=O)CC2)C=C3,NWFQHBFWMFJRRD-UHFFFAOYSA-N
-83DEAC470A58F2AB_2A372A583A54FB28_6038_UN,CC1=CC2=C(C=C1)[N](C)C(=N2)CNC(=O)C3=CC(=NC=C3)C4CC4,NSJPJBOPDRGLSB-UHFFFAOYSA-N
-84D893CE4C308BA2_B4F200B6201D0625_7019_UN,C(C1C2CCOCC12)=CC(CC)C3=CC=C(C=C3)OC,SYMUSBWQQHHSGR-UHFFFAOYSA-N
-8609229F9AAE0A4A_85D5E635D3FC0175_6028_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC(=C(OC)C=C3)Br)(=O)=O,HGQOMOZCOXVZLK-UHFFFAOYSA-N
-879B58BAF872ADFE_F0242BEAFC44C46B_7022_UN,C1(=CC=C(C=C1)C2=C(C=CC=C2)F)OC3=C(C=CC(=C3)Br)[S](=O)(=O)F,LZEHKCNIMJBPBZ-UHFFFAOYSA-N
-88077E325623CB1A_BC6C7EB2220DF747_6038_UN,CC2=C(OC(CC(C)(C)CC(=O)C1=CC=CC=C1)=O)COC2=O,PIRDHSKZUDJQLE-UHFFFAOYSA-N
-8CB1C457B5CA66E0_27F4531896DE3E38_6029_UN,CN2N(C(=C(C)C(=C1N=NN=N1)C2=O)C)[S](C3=C(C=NO)C=CC=C3)(=O)=O,JNXAFFZODFTIAO-UHFFFAOYSA-N
-8CB984379B8135D9_D028D0F6EB416CAB_6029_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=C2[N](CCNC2)N=C3)(=O)=O,WWAIEYWGMHYQSZ-UHFFFAOYSA-N
-8FF449212FD9D786_D763031D479F26C5_6029_UN,N(CC1(CCC1)C2CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,JKFZFDZGEGWWPS-UHFFFAOYSA-N
-907C80F57F6D2B6C_25F1BA9CBC73FE5E_6038_UN,CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=CN=C3)N4CCCC4=O,GPEMQWLCTCWDOE-UHFFFAOYSA-N
-94A79B8A30580A96_189E82F98DC1D50D_6029_DP,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CN=C(N3CCCNCC3)C=N4)(=O)=O)C=C5,AXOGZQBVWPPRIF-UHFFFAOYSA-N
-94DD2C0C2598FEF1_BC51BFD64E64098A_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@@H]2CCOC3=C2C=C(CC)C=C3,IKPDUCPDXTXKEF-CYBMUJFWSA-N
-958FE708951EE5A0_5C59CC0B4900D68E_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC(COC)C2=NN=N[NH]2)N3CCOC3=O,YZYCBIYJSJFOQH-UHFFFAOYSA-N
-977155303EBFEA89_9ECF840582EF2447_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CCC3=CC=C(Br)S3,MCOGIAVQXHJIOF-UHFFFAOYSA-N
-99D721BB995DBD33_A866BB4EBF5409C3_6038_DP,CC1(C)CN(C1=O)C2=C(C=CC=C2)NC([C@H]3NCCO[C@@H]3C)=O,KRJCRCWWOKCNKY-RISCZKNCSA-N
-9A43A3C35DB38255_8B13523BBD1A187F_6027_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC(=CC(=C3)C)C)(=O)=O,DUIYPCIENKBFOL-UHFFFAOYSA-N
-9A5253CC227C2FE1_E70CCE38D335C5F8_6038_UN,N(C1=CC=C(C=C1)C2CCOC2)C(C3=N[NH]C=C3C)=O,XFWRMSWPWCBSMT-UHFFFAOYSA-N
-9B5715A2F6260CCC_206F056C5BC7627A_6029_UN,CC1=C(Br)CN(CC1)[S](C2=CC=C(C(CC)=C)C=C2)(=O)=O,SPTLVQVZDFQWRP-UHFFFAOYSA-N
-9C04BF6CFD9964CA_5BF7EAEB5BA4923B_6038_UN,CC1=C2C(=CC=C1)C(CCO2)NC(C4CN(C3=C[N](C)N=C3)C(CC4)=O)=O,TYPDRDZMJVNTJI-UHFFFAOYSA-N
-9CBB0E8C67F5ACF5_46070173DC2C6C77_6029_UN,N(CC1(CCCCCC1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(C)CC4)(=O)=O,SJFZOOQAGJUWQT-UHFFFAOYSA-N
-9DA9B3252A5B327A_01274AAD8418D883_6041_UN,CC1=NC4=C(C(=C1)NC2=C(C)C=C(C=C2)SC3CCCCC3)C=C(C=C4)[N](=O)=O,UUMQCRUBFZBYKN-UHFFFAOYSA-N
-9DED26686832252B_6CCBCE621653AB4B_6029_UN,N(C[C@H]1C[C@H](C1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3OC)(=O)=O,HJLBHKPZEZGQHC-FZNQNYSPSA-N
-9E9F35C7D903D6A7_17A59C2AEFB79B52_6038_UN,N(C1=C(C=C(C=C1)C2CCOCC2)F)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,PWUQMOASYRHHRB-UHFFFAOYSA-N
-9F2D14D8B197B587_124047CF85148362_6026_UN,[S](=O)(=O)(C1=CN=C(C=C1)C2OCCO2)N3C(SC=C3C4=CC=C(F)C=C4)=C5N=NC=N5,ZGDRXAGMERSSSA-UHFFFAOYSA-N
-A16D44251F75C218_0B48798F7B43D0C1_7022_UN,C1(=CC=C(C=C1)C2=C(C=CC=C2)F)OC3=C(C=CC(=C3)F)[S](=O)(=O)Cl,NZMRPYAGTVRYLS-UHFFFAOYSA-N
-A2F9CF4B404A11D1_460369784D7283D4_6038_UN,CC2=C(OC(CCC1=CC=C(C(OC)=O)[NH]1)=O)C(=O)CO2,SVVRZJDOWFYQIU-UHFFFAOYSA-N
-A404DEA2EFD26214_A42FCC7A28C63FD7_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=C(OC)C=CC(=C2)Cl)(=O)=O,XPTIBNBNTLGHAD-UHFFFAOYSA-N
-A44B2D52A7F2B20B_636AE345DF29677E_6029_UN,N(C[CH]1C[C](C1)=[C]2CC2)[S](C3=C(C(C)=C)C=CC=C3)(=O)=O,FAARLLRUXVLAJC-UHFFFAOYSA-N
-A5E9AC1B4DF211EC_5072E1B611ED856B_6028_UN,N(CCC1=CC=C(C=C1)C2CCCCC2)[S](C3=NC=CC(=C3)C)(=O)=O,JCXQOURWNVSIGJ-UHFFFAOYSA-N
-A698B165D0DE4DE1_2E5DF36A0FE8DF00_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC3(C(OC)=O)COC3,PCVBLIHNANZCHA-UHFFFAOYSA-N
-A82A5AE73FA8E72C_8F46962D5CB62137_6041_UN,O=[N]1=CC(=CC(=C1)F)NC4CN(C2=NC=C[N]3N=C(C)C=C23)C4,STBBDZJQSVGWHC-UHFFFAOYSA-N
-A84F633B5CE37677_7132187F920161B0_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC3(CNC3)C4=CC=CC=C4,AJGMHZDCDIOEBD-UHFFFAOYSA-N
-A9485D6CE7CE241E_63FE0FE927130A14_6027_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=CC(=C3C)C)(=O)=O,DQLDBEGCJINAEE-UHFFFAOYSA-N
-AA7F7F06CC4D9501_25AC2F31268AEC34_6029_UN,N(CC(O)C1=CC=C(C=C1)O)[S](C2=CC=C(C=CCO)C=C2)(=O)=O,PBHAFVYNNMDIMJ-UHFFFAOYSA-N
-AAB70148236DA15E_2070228A761D0F17_6028_UN,N(CC1(CCCCC1)C2=CC=CC=C2)[S](C3=C(OC)C=CC=C3)(=O)=O,POIZVRZFZAFVPB-UHFFFAOYSA-N
-AE00770A4061F766_315D6F0BFFDC354E_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=C[N]2N=C(OC)C(=C2N=C3)I)(=O)=O,YRNHPMKJBUNRAZ-UHFFFAOYSA-N
-AF8AD0F28F5FAD9E_F0F70F8D36BF723E_6038_UN,N(C1=C(C=C(C=C1)C2CCOCC2)F)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,ZPDZZICHMUJEBJ-UHFFFAOYSA-N
-B031ABB6C51C09F7_89BF28E3F3B954FA_6041_UN,CC(=O)C1=C(C=N[NH]1)NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,RGOQNUUACGRZEQ-UHFFFAOYSA-N
-B03B11459762AE67_35994A237B861BC1_6029_UN,N(N=CC1=C(C=CC=C1)O)[S](C2=C(OC)C=CC(=C2)F)(=O)=O,DTAFDSHHBIQOOQ-UHFFFAOYSA-N
-B0BDC01631FAA361_08D747B789D817D4_6026_UN,[S](=O)(=O)(C1=CC(=CN=C1)Br)NC2=C(CC(=O)N2C3=CC=CC=C3)C#N,JUPRSWJTBDEBLK-UHFFFAOYSA-N
-B0C46019DF28D10E_8666E8581E37FA98_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=N[N](C)C(=C3)C#N)(=O)=O,WWALMWFGEFAQHG-UHFFFAOYSA-N
-B10444392A038AC1_7B4E69D8E0EFA08D_6034_UN,O[S](=O)(=O)C2=C1N=CN(C1=NC=N2)CC(CC3=C(OC)C=CC=C3)(C)N,GLJZVGOQFLUUSJ-UHFFFAOYSA-N
-B12A9AABE1E93BE5_3E470833E9565A1C_6038_UN,N(CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F)C(C5C4=C[N](C)N=C4CCC5)=O,TWRRARLYBLQDIM-UHFFFAOYSA-N
-B137012E5FA70955_37EE4104D239C9E3_6038_UN,CC1=C2C(=C(C=C1)C)[C@H](CCO2)NC(C#CC3=C[N](C)N=C3)=O,NBNKOWMIVAYHJV-HNNXBMFYSA-N
-B4EFC6859B75975E_7F9F717BBC1F152B_6029_UN,FC(=C1CCN(CC1)[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O)F,IDVJNSIUEQDBGC-UHFFFAOYSA-N
-B6FF8D19C945C0EC_BA79EFD63F195EDD_6041_UN,CC(=O)C1=C(C=N[NH]1)NCC3=CC=C(C(N2CCN(C)CC2)=O)C=C3,DYFJZHVJRZFEHU-UHFFFAOYSA-N
-B963ED9F6A9D6B4C_6B0EE15E7A31434E_6038_DP,N3CC(NC(C2=CC1=C(C=C(OC)C=C1)OC2)=O)CO3,NPAJNFBVWXSARH-UHFFFAOYSA-N
-BA20A01DAED7FBE2_49463E06E4973ADD_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(=O)C3=NC(=NC=C3)N4CCCCC4,SQOKOWDVYLTYEB-UHFFFAOYSA-N
-BA4A95AD57C28AFC_5C8F8F38841D722B_6041_UN,O=[N](=O)C1=C(N=C(C=C1)NC2(CCC(C)CC2)C#N)C3=CC=CC=C3,CVHKWSOWHZVSQT-UHFFFAOYSA-N
-BE44864C6AAF8163_A3C399518A0E5274_6038_UN,CCOC(=O)C(=CC#N)OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,RRNYPLVSCUGGSJ-UHFFFAOYSA-N
-C2A65607A51DF427_AB99AD070611C5D3_6029_UN,N(C(C1=CC=CC=C1)C2(O)CCC2)[S](C3=C(OC)C=C(C=C3)C4CC4)(=O)=O,OKZATRGIVCFEIH-UHFFFAOYSA-N
-C33C0E4E63BD5045_CF5223AD6FC64150_6029_UN,N(CCC1=CCCCCC1)[S](C2=CC=C(C(C)(C)C)C=C2)(=O)=O,YEKQJBMLXKMOSQ-UHFFFAOYSA-N
-C3AE0AFADB8B266D_601B0F24FB34F2B1_6038_UN,N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(=O)C3=NC(=NC=C3)N4CCOCC4,ARWSIXGNGPRFEN-UHFFFAOYSA-N
-C42EBE7F508C388D_D521724032E547C0_6029_UN,N([CH]1C[C](C1)=[C]2CC2)[S](C3=C(C=CC(=C3)OC)C4CC4)(=O)=O,XMEQRDMLQGQXFZ-UHFFFAOYSA-N
-C4CBD0836114FD12_8839740272B5A727_6038_UN,CN1C(CN(CC1)C2=C(N=CC=N2)CNC(=O)CC3=CC4=C(C=C3)OCCC4)=O,BLGJWFPDTMHRLB-UHFFFAOYSA-N
-C4EF74E7E5FA3DA7_FB09277BE777FA6D_6029_UN,N(CC1(CC1)SC2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,WUKDWDUCRYAPCR-UHFFFAOYSA-N
-C50F3F46E84767B5_4C830FE5B86743F5_6029_UN,N(C[C@H]1C[C@@H](O)C1)[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,IOXFCWLEVALAQV-TXEJJXNPSA-N
-C5F18F8D5D515E42_7C0AE948EDC909DF_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(NC)C3=C(C(=CC=C3)Cl)Cl,VQRHOBWZWKMKDO-UHFFFAOYSA-N
-C73FB677D80DB1C5_C932D2BF1C4CE992_6028_UN,OB(O)C1=CC2=C(C=C1)C=NN2[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CC5)(=O)=O,GJTDCWKUBPVCOS-UHFFFAOYSA-N
-C7F6F052898E9364_0A011A69006FA079_6038_UN,CC1(ON=C(C1)CNC(C2=C(CC(OC)=O)OC=C2)=O)C,QIIWWYFFRVISMV-UHFFFAOYSA-N
-C9FC97C1F44E366E_DC7C1DBBF8E03773_6038_UN,NC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2)N3CCOCC3,DMSQCIYTJUBLGY-UHFFFAOYSA-N
-CA2DFFD3F988625B_EE11FFA0BC8A3986_6004_UN,C1(=CC=C(C=C1)C(=O)C2CCC2)C3=C(OC)C=CC(=C3)CO,AMYOBIOUGXGBSO-UHFFFAOYSA-N
-CB63A11E5CE993DC_A48502BD51C585F9_6038_UN,CC1=C(C=C(C=C1)CNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,DNHXLVPNUPWPJB-UHFFFAOYSA-N
-CB80C109B9657F1B_D52FC298A2CA573F_6038_UN,N(C1=CN=C(C=C1)F)C(C3(C2=CC=C(C)C=C2)CCOCC3)=O,QTTALLFBJVLKBK-UHFFFAOYSA-N
-D1AC6432302B440B_73CAA66DE8A092A4_6038_UN,O(C1=C(C=CC=C1)C2=NNC(=O)CO2)C(=O)C3=CC=CN4CC[S](=O)(=O)N=C34,XUENRYXYEBSHIM-UHFFFAOYSA-N
-D1F66E5BBE1757F1_02FB5DB5DA937760_6038_DP,COC1=C2C(=CC=C1)C(CCO2)NC(C3=CN=C(C(O)=O)C=N3)=O,VFNOROYRJAUFSH-UHFFFAOYSA-N
-D4A4AAF8BCBC2EFB_AA0EF3AADA4332DC_6029_UN,CC1(CC1)C2=N[N](C=C2)[S](C4=C[N]3N=CC(=C3N=C4)I)(=O)=O,BPHKBGGLWRAQJS-UHFFFAOYSA-N
-D5E5FC0FC5446522_C37E9E9F96718117_7022_UN,C1(=CC2=C(C=C1)CC3=C2C=CC=C3)OC4=C(C=C(C=C4)Cl)[S](=O)(=O)Cl,GTDAUWJIUZYRNF-UHFFFAOYSA-N
-D60AF2873B60D6A8_F3D6AA9D1A980FA1_6029_UN,N(CC1(CCCC1)CC2=CC=CC=C2)[S](C3=CC=CC(=C3)C4(O)CC4)(=O)=O,ZLXOQILEBZPFTE-UHFFFAOYSA-N
-D63EE89BDACC49A7_EC0F84469F959C4C_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=CC(=C3)OC)C4CC4)(=O)=O,CUOKTYBFZFJAMZ-UHFFFAOYSA-N
-D68CA4F61338FCA3_D66DBB538A772E16_6038_UN,NC3=NC(=O)C1=C([N](C=N1)COCCOC(C2(C(N(C)C)=O)CC2)=O)N3,KYURTEYRCUBDSS-UHFFFAOYSA-N
-D7E861821D96DC0E_A124C2C0821E4D88_6028_UN,N(CC1(CCCC1)C2CC2)[S](C3=CC=C(COC)C=C3)(=O)=O,IVSZKHDFVBXCDO-UHFFFAOYSA-N
-D8C481030B491782_A5DD2EC463387CF1_6038_UN,CC1=N[N](C=C1NC(=O)C2=C(C=CC(=C2)C3=N[NH]C=C3)F)C4CCOCC4,INPVWOGFLDIBHY-UHFFFAOYSA-N
-DE553BA818856E43_418835B5C1DB923C_7022_UN,C1(=CC=C(C=C1)C2=C(C=CC=C2)F)OC3=C(C=CC(=C3)Br)[S](=O)(=O)Cl,WBQJBOKVQSQGHK-UHFFFAOYSA-N
-E033AACBEA9D57A9_2D4A93A7C03122D5_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCC2=NN=C(N(C)C)[NH]2)N3CCOC3=O,MWCFVKWVWXWYSW-UHFFFAOYSA-N
-E215176E6B3F60E7_E22C6E99547323E0_6041_DP,OC1=CC(=CC(=C1)NC2=CC(=CC=C2)SC3=CC=CC=C3)C(=O)O,SRTRAIUXXUZMRM-UHFFFAOYSA-N
-E248E8CB07A84685_EA54AEE86AEE54F8_6038_DP,COCC(NC(C2=NOC1(CNC1)C2)=O)C3=CC=C(C=C3)F,HIONILMCDBMPJY-UHFFFAOYSA-N
-E4A7A8EE4C2DB674_44D19F74FF525984_7005_UN,N4=C(C1=C[N](C=N1)C2=NC(=NS2)C3CC3)[NH]C5=CC(=CC=C45)[S](=O)(=O)O,ZYZAEXUFVIHPTK-UHFFFAOYSA-N
-E5202EE5A98AB26D_776A3648935F685C_6029_UN,N(C1(CCC1)C2CC2)[S](C4=CC=C(C3(C)CC3)C=C4)(=O)=O,ORVPTGMTLKWQMH-UHFFFAOYSA-N
-E7948C1200306BFD_13035D419895EC79_6038_UN,CN1CCCN(CC1)C2=C(C=C(C=C2)F)CNC(=O)C3=CN=C(C#N)S3,RNMMIRUNYGAANY-UHFFFAOYSA-N
-E7EF2B479A95545C_8524CE8CA09BFCF3_6038_DP,N(C1=CC=C(C=C1)C2=NNC(=O)CO2)C(C3(CC)CNC3)=O,VGZUGSTYOGIGSO-UHFFFAOYSA-N
-E9EDA7818CDD42B7_DFE38D3B5AA0121A_6029_DP,IC5=CN1C(=NC(C2=C(C1)C=CC=C2)=N[S](C4=CN=C(C3CCNCC3)S4)(=O)=O)C=C5,VALRXAQRUNYWPP-UHFFFAOYSA-N
-EDDB8EF3278E672E_6CF618FD797A4B12_6041_UN,CC1=COC(=N1)NC[C@H](CC(OCCOC)=O)CC(C)C,SSGGAUDSMCVBKQ-ZDUSSCGKSA-N
-EDDB8EF3278E672E_B77EF8C24303171B_6041_UN,CC1=COC(=N1)NC[C@H](CC(OCCOC)=O)CC(C)C,SSGGAUDSMCVBKQ-ZDUSSCGKSA-N
-EE0955561B345947_3FE355D5F164D7E8_6038_UN,N(CC1=CC(=C(C=C1)N2CCOCC2)F)C(=O)C3=CN=C(C=C3)N4CCC4,WOKPRFSXXBOMCV-UHFFFAOYSA-N
-EFF91EA4F6916F87_3A94C7BB712C77CE_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC4=C(C(OC)=O)C=C3OCOC3=C4,GFHGRQLRDYRIDR-UHFFFAOYSA-N
-F0EBD46094507CA1_4D5AA71D63CB233B_6038_UN,CC1=N[N](C=C1NC(=O)C2=CC(=N[NH]2)C3=C(C=CC=C3)F)C4CCOCC4,DWEYNOMNZKYQGL-UHFFFAOYSA-N
-F1A8AC38188FDAF4_EAD56C00227B4B57_6029_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NOC(=C3)C4CC4)(=O)=O,ZGSYAGPVDJVBTF-UHFFFAOYSA-N
-F2619DFE1713CE3C_C3F0B7A4AD4936BF_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3CC3)NC4=C(C)C=NC=C4[N](=O)=O,NUPAWQPSTXJIPV-UHFFFAOYSA-N
-F30D68A751047859_1FC7F3A2EFCF08DA_6034_UN,O[S](=O)(=O)C1=CC2=C(C=C1)N(C=N2)CC3=NC=C(C(C)(C)C)S3,USPNEVYMOOCDLI-UHFFFAOYSA-N
-F3B5932820D0AFEE_B381E21C75B3C25E_6038_UN,N([C@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(C3=CC(=NC=C3)N4CCN(C)CC4)=O,JAJSTEUBLMSIHJ-QGZVFWFLSA-N
-F420EEF790A4F5C3_49E0952E916B975F_6038_UN,CC(C)[C@H](NC(C#CC1(CC)COC1)=O)C2=NC=C[NH]2,MAAPENDNLZKUJH-ZDUSSCGKSA-N
-F724C5EDE2E6F788_F1D68DD649D8449B_6029_UN,C[Si]1(CN(CCCC1)[S](C2=C(CCC)C=CC=C2)(=O)=O)C,ZKXJLRYUZJCXIQ-UHFFFAOYSA-N
-FB3B8DE08E1F022B_63EE03CA33732237_6041_UN,C[N]2C=C1C=CC(=CC1=N2)N[C@@H]4CN(C3=CC(N(C(N3C)=O)C)=O)CC4,BMFFAPFKYPURGC-AWEZNQCLSA-N
-FC3D979E1601E66E_4FA0DC8BF54913CE_6041_DP,N1CCN(CC1)C(=O)C2=CN=C(N=C2)NCC(=O)C3=C4C(=CC=C3)OCCO4,JQOUXXOJOQAEKL-UHFFFAOYSA-N
-FC523FA3954FD1DF_FCB3C419271E4600_6038_UN,N(CC[N]1N=NC(=C1)C2CC2)C(C3=CC(=CC(=C3)C)C)=O,WCEXHXAJGAYMEI-UHFFFAOYSA-N
-FCA033BCA90FF7D9_882853096CAA0106_6038_UN,CCC1=C(C=C(C=C1)[N](=O)=O)NC(=O)C2=NC=CN3CC[S](=O)(=O)N=C23,LBJCNDHLEIDDQE-UHFFFAOYSA-N
-FCAB70A52E03BCA7_BD644A5D12E48DA1_6038_DP,N1CCN(CC1)C2=CC=C(C=C2)NC(C3C[Si](CN3)(C)C)=O,LFYNDEIOPGSTOC-UHFFFAOYSA-N
-FDF70DAC80877D0F_EDCD4E00E86618CD_6038_UN,CCN1C(C(CO1)NC(C2=C[N](CCN(C)C)N=C2)=O)=O,DBGGLPBLGDTFGQ-UHFFFAOYSA-N
-rxn:1:44818:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3ccc(Cl)nc3C(=O)O)nn2)CC1,MSUKWZPDGJNQIL-UHFFFAOYSA-N
-rxn:1:52917:10679,O=C(C=C1CCCCC1)Nc1cccc(-c2cn(C3=C(Cl)C(=O)OC3NC(=O)c3ccccc3)nn2)c1,XRKAYJCWUNLETR-UHFFFAOYSA-N
-rxn:1:59724:25374,COc1nc(Cl)cnc1N1CC(c2cn(C3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nn2)CC1=O,ZNDZJEDSGPOUKH-UHFFFAOYSA-N
-rxn:1:59742:24780,Cc1ccnc(N2CCC(C(=O)NCc3cn(C4CCN(C(=O)c5cc(=O)c6ccccc6o5)CC4)nn3)CC2)n1,AYAVDXBPYHVAOI-UHFFFAOYSA-N
-rxn:1:59804:5500,Cn1nc(C(=O)N2CCC(n3cc(CNC(=O)C4CCN(c5nc6ccccc6n5C)CC4)nn3)CC2)ccc1=O,HSJOSKOGBKFCRV-UHFFFAOYSA-N
-rxn:1:64326:24867,CC(=O)C=C(C)N1CC(c2cn(CC3CC(=O)N(c4c(Cl)cccc4C(=O)O)C3)nn2)CC1=O,MJLKMWYALMMRTO-UHFFFAOYSA-N
-rxn:1:64326:24956,CCCn1cc(N2CC(c3cn(CC4CC(=O)N(c5c(Cl)cccc5C(=O)O)C4)nn3)CC2=O)cn1,ZNCPIRKRULPGFE-UHFFFAOYSA-N
-rxn:1:65076:35459,CCCC1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ncnc6[nH]nc(Br)c56)C4)nn3)c(C)c2)CC1,SNRQDAITKVNHGK-UHFFFAOYSA-N
-rxn:2:88568:103647,CCCC(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)C1CCN(CC)CC1,CKXUAXREZOTRIC-UHFFFAOYSA-N
-0208ABD06EEF9E34_BC80B5A0E3FBA74F_6041_UN,C1(=CC=C(C=C1)N2CC(=O)CC2=O)NCC3=CC[C@@H](C(C)=C)CC3,MKOWWFNBFHEFEJ-MRXNPFEDSA-N
-06621B8320045C7E_2570928D9A121594_6038_DP,CCOC(=O)C4=C(NC(C2(ON=C(C1CNC1)C2)C)=O)C3=C(C=CC=C3F)[N]4C,PUEHDAMBXVQLOZ-UHFFFAOYSA-N
-07AC0DDA3E4ECF94_77DBA33C75CB14F6_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,MBGHEMSBESKEOS-RHSMWYFYSA-N
-07E4AB0100C72251_C64C8DC0B212556A_6038_UN,CC2=C(NC([C]1(C)C[C](=[CH2])C1)=O)C=N[N]2C[Si](C)(C)C,ITESMHYBHLHWFO-UHFFFAOYSA-N
-0B6884F70357A8F9_D6A8AEC0A8D4A13F_6041_DP,N1CCN(CC1)C2=NC(=NC=C2)NC3=CC=C(C=C3)O[S](=O)(=O)F,SMPOQEFGITVNED-UHFFFAOYSA-N
-0B70B31BF7FB8FEA_71988BFE9E089AC1_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F,NZECLPLRTBOSKN-UHFFFAOYSA-N
-0BA3733B6AAEDAD1_9B64B416AF088DF4_6038_UN,CC(C)(CNC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,HSUTXBYWCSOILD-UHFFFAOYSA-N
-0C759897A2941304_0992A24711402FA6_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(CC2=NC(=NO2)C3C(C)C3)=O,RTQDDORJUUIPGC-UHFFFAOYSA-N
-0F8ED8A87C898E4F_F9C56EFA2A6DCB9E_6034_UN,C1CN(CCNC1)C2=C3C(=NC=N2)N(C=N3)C(C4=CC=CC=C4)[S](=O)(=O)O,ZUNFDAITXQZILP-UHFFFAOYSA-N
-10D8A33688DFF8C7_BA7221B1D1E1480C_6041_UN,CC[N]1N=NC2=C1N=CN=C2NC([C@H]3[C@H](C(OC)=O)C3)C,LUHZLSKMLBIRKD-SXNZSPLWSA-N
-125F558E7BB7C3D1_3E6403CAE4DE7670_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(Cl)C=NC=N2)CC3)N4CCOC4=O,FTAJYTPADMZHDW-UHFFFAOYSA-N
-13FE046DB41CCA7D_A1F80FF8E4656DB1_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(CCC)C)N,VAYLGUCTFNPBTE-UHFFFAOYSA-N
-141B7399452D8962_53745DDE4E49373E_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@@H](CCC(=O)O)C(=O)O)C=CC=C2,IFGLMLBEBCJGPI-NSHDSACASA-N
-1747038742BCD9B7_B114EFB6F0ABE164_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC(=NS3)C(OC)=O)(=O)=O,CZBINFUZKZSZEB-UHFFFAOYSA-N
-1AD0DB45AFB2C938_9010FA5D7B9995F6_6028_UN,N(CC1(CCCC1)C2=CC(=CC=C2)Br)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,JXMVRGBZEGCCSV-UHFFFAOYSA-N
-1B0D2F26F3BBD5D3_D7310FB535783329_6038_UN,COC(=O)C(C)(C)[C@H](NC(C=C([P](CC)(=O)O)C)=O)C1CC1,TWVWPHXHZKTWEE-CYBMUJFWSA-N
-1F2989A3A31E2E6D_623A938F5670A87A_6041_UN,C[N]1N=NC2=C1N=CN=C2NC([C@H]3[C@H](C(OC)=O)C3)C,TWJPOACNYYFAPE-ZHFSPANRSA-N
-21B846A9688115FB_A45CA5B102A05321_6035_UN,COCC(OC1=C(C)C=C(C=C1C)Br)C2=CC=CC=C2,MPLFFRUKUBMUFX-UHFFFAOYSA-N
-2341669AB6A2BBAF_67AADF1BC2474462_6038_UN,CCN(OC)C(=O)CNC(C1=NOC(C(C)(C)C)C1)=O,ZFKZSDBYEIXGTP-UHFFFAOYSA-N
-23B027D41558FCB6_9B93288EE936F6A1_6034_DP,C(NC2=C1[N](C=NC1=NC=N2)CC(C(OC)=O)CNC)C3=CC=CO3,RJLIGQMXGHCGBB-UHFFFAOYSA-N
-24BA77DA1BE5F282_73197EB84EDA4368_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)NC2C3=C(C(C)(CC2)C)C=CC=C3,DDZDFXJEUWOLTP-UHFFFAOYSA-N
-24F11CFCDB048BF5_41A979ACECAC8F10_6038_UN,CCC(NC(C2ON=C(C1=CC=CC(=C1)OC)C2)=O)C3=NN=N[NH]3,GFZSYYBQGAFCRL-UHFFFAOYSA-N
-25FB8589562FC906_06F1C6B982557D19_6028_UN,N(C1CC(C1)=C2CCC2)[S](C3=CC=C(C(C)C)C=C3)(=O)=O,FHYHZFAENJGCAO-UHFFFAOYSA-N
-26619D8457908A89_303F32726C8D0BC2_6038_DP,CC2=C(NC(C1(COC)CNC1)=O)C=N[N]2C[Si](C)(C)C,AZHGTCMMIFVACE-UHFFFAOYSA-N
-270D0B5625A6FFAD_1353A0DD773CB255_6038_UN,COC(=O)C1=C(C=C(C(=C1)Br)F)NC(C2=N[NH]C(=C2)CCCCC)=O,XHZYEWXLSHQHEW-UHFFFAOYSA-N
-285C092CD979197B_EAE6FE0E7F6CAEAE_6029_DP,N(N[S](C2=CC1=CC=CC(=C1N=C2)OC)(=O)=O)CC=C,CEDBSINCHGTWQW-UHFFFAOYSA-N
-29572AEACF2F2E54_E5F03F984510EFDC_6041_UN,O[B-](O)(O)C1=C(C=CC=N1)NC2=CC(=C(C=C2)F)[N]3N=NN=C3C4CC4,XGMWAJMGVOWQBL-UHFFFAOYSA-N
-2988BE9F16E6BCFD_CB838824B3548C18_6038_UN,O(C2=CC(=O)C1=C(C=CC=C1)C2=O)C(C#CC3(C)CC3)=O,JJNJENOXGPVIIW-UHFFFAOYSA-N
-2AD0E9265CAA9D1D_C598A53BE08C714B_6041_UN,C[S](=O)(=O)C1=NC(=CC(=N1)NC4=CC=C(OC2=CC=NC3=CC(=C(C=C23)OC)OC)C=C4)C5CC5,YGVJXULUMOOAKB-UHFFFAOYSA-N
-2B66C3320DDEE790_147323540C1F6973_6035_UN,C[Si](C)(C)C#CC(OC1=NC(=C(C(=N1)C)Br)C)CC2=CC=CC=C2,DXIKUZPHJJNCRX-UHFFFAOYSA-N
-2E10C88E281DAE34_0986E70988F08D7A_7017_UN,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[S](=O)(=O)N3CCCC4C(Br)C34,NOAYCUJKRFOBTC-UHFFFAOYSA-N
-2E2358193E158A4E_A0C12780047C1970_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCC(C(OCC)=O)(CC)CC,DAPYFFPSXVPNBW-UHFFFAOYSA-N
-3010D07D65A118C0_EE3687ECA39E9531_6038_UN,CC[C@@H](NC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)N,HDLTVVSCTTZRKP-ZCFIWIBFSA-N
-30FDB5E0F5616EB6_B51F614D8AE59210_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC(CC)NCC3=C(C=C(C=C3)Cl)Cl,ZGENOBIOPZWULF-UHFFFAOYSA-N
-343B0FBB8C1C71B3_EAE4A31036B937E8_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OC[C@H](C1=N[NH]C(=N1)C)N)C,IHHHUBVRSVQHOE-SECBINFHSA-N
-347AFDDC732C0806_3E13902465934EE4_6038_UN,CC3=CN1C(=NCC(C1)OC(=O)CC2=CN=NS2)C=C3,YKYLFLWWCUQURY-UHFFFAOYSA-N
-35C3E9AD3FB09952_170AAAAEEC44CC49_6031_UN,O(C(=O)CC1=C(N=CN=C1Cl)Cl)CCCNC(=C2N=CC=CC2=O)O,FRTVEBXKVGXVDC-UHFFFAOYSA-N
-36264BF0CC5D1C53_556CD6F87D0B6326_6003_UN,COC2CCC(COC1=CC=C([S](C(C)C)(=O)=O)C=C1)CC2,ZKCJOVHQGMFVLK-UHFFFAOYSA-N
-38B495F1E924030D_4EB9D6B6C8A6C239_6038_DP,CCOC(=O)C(NC(C(C(C)C)N1C(=O)C=CC1=O)=O)CC2CNC2,NEOOAOLEZSPRTC-UHFFFAOYSA-N
-39513170AAD89213_1FA642DFD208E8D8_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC3C(CC)(CC)C(C3C)OC,WXZVGZPOLALQSO-UHFFFAOYSA-N
-3AB0DB7D7EFE611A_399E8F413EA77370_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(C(CC)C)C)=O,UQQULRZMHJDHBH-UHFFFAOYSA-N
-4106B2ACDAD049EA_258BABF04310109F_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C4=CN=C(N3N=C(C)CC3=O)C=C4)(=O)=O,JMMHOGLQBYCJGN-UHFFFAOYSA-N
-443E577BF72CAF6F_5F95F92C7404B8BA_6041_UN,FC1=CC=C(C=C1)CC2=NN=C([NH]2)NCCC#C[Si](C)(C)C,IPSDPRMSMBTXNM-UHFFFAOYSA-N
-44F2F1FE4EB67CC8_6E0F66CF9D66298F_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(C2=C(CC)C=CC(=C2)[N](=O)=O)=O,GHIWIHFNKFKIIA-NSHDSACASA-N
-45462D1A5FF574D0_E79FDF815D4950BE_6038_UN,NC1=C(C(NC(N1)=O)=O)OC(C(CCC(OC)=O)(C)C)=O,CRVMMMVTYOSXIF-UHFFFAOYSA-N
-457A5F4FFC2294A0_A814B9119099041A_6038_UN,N(C1=C[N](=CC=C1)=O)C(C(CC)SC2=NC(=N[NH]2)N)=O,VSZAMJKKOVJBEI-UHFFFAOYSA-N
-470FF6EA5E7722B6_7EA379938F9CFFF3_6038_UN,N(CC[N]1N=CC(=C1)[N](=O)=O)C(C3(C2=NN=C(C)[N]2CC3)C)=O,UNTJHVCMKRTYJV-UHFFFAOYSA-N
-48E8B8B452CF0842_A0F7A9BF758E683A_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CC(COC)(C)N,MTSSPYNHJXBZEU-UHFFFAOYSA-N
-4924AA19F69F1075_5673107B8E51C0EF_6029_UN,CC1C4=C(CC(CC1)CN[S](C2=CC=C(S2)C3CC3)(=O)=O)C=CC=C4,CZXXQNSKQANRHX-UHFFFAOYSA-N
-4963B4132B8C5FCD_32D7C91B48400452_6038_UN,N([C@@H]1C(NC(CC1)=O)=O)C(CCCOC2=CC=CC(=C2)C(C)=O)=O,RWCWWYIGTNSDQX-AWEZNQCLSA-N
-4A48E94C052F8ECA_B4810D9C7A4427CC_6038_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)C(C(CC)C2CCC(C)CC2)=O,PIBABIAGUOZREI-UHFFFAOYSA-N
-4E4EB3CE7619A6EE_E4E49DEA2ABF3EC6_6031_UN,CC(=C(C[P](=O)(O)O)C(=O)OCC1(CC)C(=O)NC(=O)NC1=O)C,DSYYLVPXHVLWRT-UHFFFAOYSA-N
-4F2C99DBC00B49D6_1069B6BEB8E8A0CE_6029_UN,FC1=C(C=CC=C1Cl)C2=CCN(CC2)[S](C4=CC3=C(N(C)C(=O)CCO3)C=C4)(=O)=O,LYLMQQCSFOOVCF-UHFFFAOYSA-N
-4F430B0E502DBFC7_5B9BBAFF3BFF0FB8_6029_UN,C1C(CN1[S](C2=CN=C3N=C(Cl)C=C[N]23)(=O)=O)C4=NOCC4,VTIBILWFHNYXLQ-UHFFFAOYSA-N
-4F7AB21EEBB6A83B_BFA891738DA42BA4_6035_UN,C[Si](C)(C)C#CCOC1=NC(=NC2=C1C=C(Br)C=C2)C,XCSKHSDBVUPTQJ-UHFFFAOYSA-N
-5224A9A3F9FAA071_377001034CB9D572_6009_UN,C1(=CCNCC1)C2C(C(C)C)C3=C(OC2=O)C=C(C=C3)O,GGKLXBFDIGZDIQ-UHFFFAOYSA-N
-5338DEAA6CDB6FA5_85F7D363028EB9A2_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4CCC(C3=CC=C(C(C)(C)C)C=C3)CC4)F,PPVASUAYBSMBOL-UHFFFAOYSA-N
-54E59F654C8F9EF8_FB68CEF83C3A5E2B_6029_UN,C1CN(CCN1[S](C3=CC2=C(N=CC(=C2Cl)[N](=O)=O)C=C3)(=O)=O)C4=NN=C(C=C4)[N]5C=CC=N5,HMLYQSWSZLPFDN-UHFFFAOYSA-N
-5590888681EF7730_25F16CDEFEC86170_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NC4=C(N3CCN(C(C(C)(C)C)=O)CC3)C=CC=C4,QJMFWHINBSPXNC-UHFFFAOYSA-N
-5AA83295AD082E9F_9D8216D40B7B3051_6038_DP,N(C1=C(C=CC=C1)[As](=O)(O)O)C([C@@H]3C[C@H](NC2CNC2)C3)=O,TWDJMILJADBWCJ-AOOOYVTPSA-N
-5D7E92CCECCE1F0F_11A90BA4F244A274_6003_UN,CC2CCC(OC1=CC=C([S](C(C)C)(=O)=O)C=C1)CC2,AMBQUADHGXGPBA-UHFFFAOYSA-N
-5F7227BD51EBE427_46A19BE2BB61F4C1_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](C)N=C1CN2C(=O)C=CC2=O)(=O)=O,PQKDZFIERVSOFM-UHFFFAOYSA-N
-5FA1F99B01A43E66_5C2F4C642A6723A6_6028_UN,N(CB(O)O)[S](C2=NN=C(C1=CC=C(OC)C=C1)[N]2CC(C)C)(=O)=O,HAAZSXXZBJAYBR-UHFFFAOYSA-N
-606987483EEB64AC_95746918D8912023_6038_UN,CC2=C(OC(C(=NOCC(OCC)=O)C1=N[NH]C=C1)=O)C(=O)OC2,FVBMVUFIPPMLBP-UHFFFAOYSA-N
-6206BEB9A5E0B55E_D1A41BD3C74D7403_6029_DP,N1CCNCCN1[S](C3=CC=C(C2=NC=CC(=N2)Cl)C=C3)(=O)=O,WJLDKUOHHJHZPQ-UHFFFAOYSA-N
-626773952E5504A5_7075E524BD21F69D_6038_UN,CC2=C(CCOC(=O)CN1C(=O)NNC1=O)SC=[N+]2CC3=C(N=C(N=C3)C)N,ITULIPFYMOFTIB-UHFFFAOYSA-O
-64C2B7A93DC2CE5B_732AE40BB8A09A8D_6034_UN,CC3=CC=C(CNC2=C1N(C=NC1=NC(=N2)Cl)CC(C(OC)=O)(C)N)O3,BQLNTDLRWMPFCU-UHFFFAOYSA-N
-64C81EEC5F0A894E_9B39E7C0D817866A_6041_DP,N4CCOC1(CCN(C1)C2=NC(=NC=C2)NC3=C(C=CC=C3)[As](=O)(O)O)C4,JKJMXXKOQCMQDG-UHFFFAOYSA-N
-65A1E51A5E081BDC_E5FC4BB158181968_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=C(C(=C(C(OC)=O)C=C4)C(=O)OC)F,BNLXVMUCGVRCGY-UHFFFAOYSA-N
-69F50C88FA643F99_CF88CCD389C68FF7_6028_UN,N(CC1(CCC1)C2=CC=C(C=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,ZNWXOUXDLMJLON-UHFFFAOYSA-N
-6EF9753AD7506011_C8EF4638FB640193_6038_UN,N(CCC1=C[NH]C2=C1C(=CC(=C2)F)F)C(C3=CC=NC(=N3)CC(C)C)=O,YPQHRHMGMASLJF-UHFFFAOYSA-N
-71DE48546A3E0885_A27CD689CB994020_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[N](CC(N(C)C)=O)N=C1)(=O)=O,OZWNJXNOQPAYHU-UHFFFAOYSA-N
-72027ADA97C72D74_1DAF071408FECEF0_6029_UN,N(CC1CC(C1)(F)F)[S](C2=CC=C(C=CCO)C=C2)(=O)=O,RTMIYQNFHXOBIK-UHFFFAOYSA-N
-7287D46E6559CAC7_6D6FF559A18A81AA_6026_UN,ClC1=CC2=C(C=C1)SC=C2[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,AHNFSFIZWJWEEV-UHFFFAOYSA-N
-74F601178CAD5759_0C37932CE8F5AAF1_6029_UN,CN1N(C=C2CN=C(Cl)N=C12)[S](C3=C(C=CC(=C3)C(C(OC)=O)Cl)Cl)(=O)=O,GYMJKTHUZOSAME-UHFFFAOYSA-N
-7641A59B48CDF48E_123E65F63F2DA577_6028_UN,N(C1(CC1)C#C)[S](C2=C(C)C=CC(=C2)C(C)(C)C)(=O)=O,FTLQMYJNEHXJHB-UHFFFAOYSA-N
-780F9BBDD84D4ADC_944B6E0D07E66DAC_6039_UN,C[C@@H]2C[C@H](OCC(OC)C1=CC=CC=C1)CC(C)(C)C2,JNXJUCRFJIMZKB-UMFITKPXSA-N
-78D6D1F901CA9275_336FA799F03EF880_6041_DP,N4CCC1(CN(C1)C2=NC(=NC=N2)NC3=C(C=CC=C3)[As](=O)(O)O)CC4,JLBUHPQSBMIZQA-UHFFFAOYSA-N
-78E315E8F936E46D_B3017CAB982AA3F7_6034_UN,C1N[C@@]2(C1)C[C@@H](C2)C3=NC=CN3CC(C(C)(C)F)(C)F,GJXQAEYNXSYFOI-WGHXENDZSA-N
-7BC173BCA3CE0545_E420359633946153_6029_UN,C2N=C1C=CN(C=C1C2)[S](C3=C(C=CC(=C3)C(F)(F)F)C=C)(=O)=O,CYMWWHZXPGTUMN-UHFFFAOYSA-N
-7CC2973AA011F6A9_CBBD70F53F393658_6035_UN,C[Si](C)(C)C#CC(OC1=CC=C(C=C1)C2=CSN=N2)CC3=CC=CC=C3,LGIIPTIHZPNWIO-UHFFFAOYSA-N
-7D9C8631E6F1E72D_E1AC35BC596738B7_6034_DP,CNC2=C1[N](C=NC1=NC=N2)CC3(CC(OC)(C3)OC)CN,CQJXODSVTVNZSJ-UHFFFAOYSA-N
-8028FE41BBAB7701_162272DFD622AC68_6034_UN,CC1=CC(=O)N(C(=N1)N2CC(C2)N)CC3=C(C=C(SCC)C=C3)Br,SVTXCHIQGVKZGM-UHFFFAOYSA-N
-825820838AA3E657_9E955745653812B5_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C3=C(N=C2N=CC=CC2=C3)C4CC4,DOACMVYGUNMQFZ-UHFFFAOYSA-N
-83A189381391CC77_E41254BBF69FFAF8_6041_UN,O[S](=O)C1=C(N=CC=C1)NC2C3=C(OCC2F)C=CC=C3,RDGALDZFMRHQEQ-UHFFFAOYSA-N
-86FA3DA1D5713179_7FDFBB381F2D11D6_6029_UN,ClCC(=O)C(=C2N(C1=C(C=CC=C1)S2)[S](C3=CN=C(N=C3)N4CCC(=O)CC4)(=O)=O)C#N,ZIWLKFWHJVIUEM-UHFFFAOYSA-N
-8981E07DE5CC4A38_411A434AB56E02EE_6041_UN,C[N]1C=CC2=C1N=CN=C2NC[C@H](CC(OCCOC)=O)CC(C)C,DZSZAILFDAEKFM-AWEZNQCLSA-N
-8C3DFE54679D8F63_6F64269FE13008A4_6026_UN,CC1=C(C=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=NC=C(I)C=N2)CC3,AEWOVWYRHIGEPZ-UHFFFAOYSA-N
-8C6D465EF6DE979A_B33E3A87EFE43E99_6039_UN,O(CCN1C(=O)CNC1=O)CC(NC(C2=C(OC)C=CC=C2)C)=O,UTTRSIAMWPDWMP-UHFFFAOYSA-N
-8C9BCF25E46CE275_6CBB2EA14B39067C_6035_UN,COC(COC2=CC1=C(OC(CC1C)=O)C=C2)C3CC3,OFYDJJUOYNOXRD-UHFFFAOYSA-N
-8D8C317D50C3D202_8969202C0B02F858_6038_UN,CCC2(COC(C1=C(NC(OCC)=O)SC=N1)=O)C(=O)NC(=O)NC2=O,WPQASEFDHBVDOP-UHFFFAOYSA-N
-8F4DF39B515CC91E_216B4083510EC47D_6038_UN,N(C1=CN(C(C=C1)=O)CC2=CC(=C(C=C2)Cl)Cl)C(C3=N[NH]C(=C3)C(C)C)=O,WVKWWTKFQGVPSK-UHFFFAOYSA-N
-9128349F555021A3_E89267C1E13FB304_6029_UN,C1CC(CCN1[S](C2=CC(=CC=C2)CCC=C)(=O)=O)C4=NC3=C(C=CC=C3)S4,HTNAHNTXQSLISX-UHFFFAOYSA-N
-9225086C18316269_0D331D3DCA3D35F9_6041_UN,C1(=NC2=C(C=C1)C(=O)CC2)N[C@@H]3C4=C(OC(C)(C3)C)C=CC(=C4)F,YPMNLZKXZJFJEB-HNNXBMFYSA-N
-9299FCB72351D738_436DEC732B5A545D_6034_UN,ClC1=CC2=C(C=C1)N(C(=N2)C3CCCN3)CC(NC)C(C)(C)C,BOEYTTYVHCWWKD-UHFFFAOYSA-N
-92B523B29F8390BD_4FD0C075460ABE6A_6038_UN,CC3=C(NC(=O)C2=CN1C(=NCC1)C=C2)C=N[N]3C[Si](C)(C)C,OUMDOMOKKAJWNN-UHFFFAOYSA-N
-9466B8051D9C897C_2A40A3F7321D0178_6006_UN,N[S](=O)(=O)C2=C1C=CN=C(C1=CC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F,KCYCQAWFUCYQOS-UHFFFAOYSA-N
-97C103D7ABF85E1E_CAFFD55EBD58F58E_6034_UN,CC1=NN=C(N1CCCNC(=C2N=CC=CC2=O)O)[S](=O)(=O)F,YGGSMMQAXCGTQS-UHFFFAOYSA-N
-9F80E54124C4ADC9_360C5410BA8B3077_6029_UN,OC2=C1CC(CCC1=N[N]2[S](C3=C(Cl)C=C(C=C3)C4(CCC4)C#N)(=O)=O)C5=CC=CC=C5,FNAUGHNVBKIFDK-UHFFFAOYSA-N
-9FB3792877DE4741_11EFEE44842F465C_6031_UN,CC1=C(CCO1)C(=O)OCC(OC)CC2=CC=CC=C2,GDOSQWUEKXJTAT-UHFFFAOYSA-N
-A013A02547777081_3324FE30DD533555_6038_DP,COC(=O)C(NC(C(C(OCC)=O)(C)C)=O)C1CNC1,HENZIGQAKQJLEI-UHFFFAOYSA-N
-A09168E1A866FC3E_DD8D0226779906C5_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=C(Cl)C=CC=N2)CC3)F,JMIORZKSAAJISJ-UHFFFAOYSA-N
-A12780EC70AC1C10_3B9D0E572726BFD1_6034_UN,CC1=C(N(C=N1)CCCNC(=C2N=CC=CC2=O)O)[S](=O)(=O)F,ZWVNSFNYUGALJV-UHFFFAOYSA-N
-A13B99C5A1F42B03_36E0CBF9F06EA95A_6038_UN,N(C1=C(C=C(C(=C1)C#N)F)F)C(C2=N[NH]C(=C2)CCCCC)=O,IXOLLCFJNRTRNQ-UHFFFAOYSA-N
-A3C190F88594D370_D51119EF31C819E1_6028_UN,N(C1=C(CCCC1)C#N)[S](C3=NN=C(C2=CC=CO2)[N]3C4=CC=C(C=C4)Cl)(=O)=O,KYRAOIYLIIJGDK-UHFFFAOYSA-N
-A528C540A36A946C_C98C6A4ECDB260D4_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NC4(C3=CC=C(C(C)(C)C)C=C3)CC4)F,HYILUNPSXDFAIV-UHFFFAOYSA-N
-A69FC66F959612AF_83368C12BDBCF22A_6041_DP,C2(=C1C=CC=CC1=NC(=N2)C3=CN=CC=C3)NC4C5(C(O)C4)CCOCC5,YDRNKGXRKLTREK-UHFFFAOYSA-N
-A767C81952F09230_9548FB6CB6582FF4_6038_DP,CC1=C(C=CC(=C1)NC(C3ON=C(C2CNC2)C3)=O)[S](=O)(=O)F,NUGSKQWZOOJZKI-UHFFFAOYSA-N
-A96FB5237C954D8B_3CEEA633B4702CA0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)N(C3=CC=C(Cl)C=C3)C4(CCC4)C#N,WUQUYUXAQVSYDR-UHFFFAOYSA-N
-AAE71CF5457D5C8A_0CAF7C14C32263B1_6026_UN,ClC2=C(C=C1C=CC=CC1=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4,NZBHHHUANYCJHZ-UHFFFAOYSA-N
-AB04C4C619C608FE_1F795C3A73C75280_6006_UN,CC1=NC4=C(C(=C1)C2=CC=C(C=C2)C3(O)CCC3)C=CC=C4F,HUGAGPBTFSLVLB-UHFFFAOYSA-N
-AC8011E30C7AD0C0_2EEB5E8CB39BFC28_6041_UN,C[Si](C)(C)C#CC1=NC=C(C=C1)NC3=C2C(C)CC(C)(C)C2=C(C=C3)F,WVVVGQNHEREPPR-UHFFFAOYSA-N
-ACB8D410FF90CA6A_0654FD3D5B0C64D5_6038_UN,N(C1=C(C(=C(C=C1F)F)F)I)C(C2=N[NH]C(=C2)CCCCC)=O,UBSHXUPCLHRGLN-UHFFFAOYSA-N
-ACF5CB5436F57BEA_B654BC3BED8E8A56_6035_UN,CC(OC2=CC1=C(OCC1(C)C)C=C2)C3CCC(=O)O3,LLAKNUHUBMBYFA-UHFFFAOYSA-N
-AF60434EA7E84AC3_E92C324ED26EACC2_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)NC(C)(C3CC3)C4CC4,JRDUDECQWHJKJK-UHFFFAOYSA-N
-B2E5BCA7B891DC54_B88545F9F8E28573_6035_UN,CC(OC2=CC=C(B1OC(CN(C)CC(O1)=O)=O)C=C2)C3CO3,OTDJLWZQNYGSHE-UHFFFAOYSA-N
-B511F756CC21483C_4582EF8D2C28607D_6035_UN,C[Si](C)(C)C#CC(OC1=C(C=NC2=C1C=C(C)C=C2)C)CC3=CC=CC=C3,HZNAGKBBWXNIQV-UHFFFAOYSA-N
-B5269BC169E5C10D_D63A47E5C2C1F046_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC(C(OC)=O)CC3=C[N](N=C3)C)F,IQZMJQRKEYTSRY-UHFFFAOYSA-N
-B58636F804868851_B8D60247C3A9E591_6029_UN,CC1=C(C=CC=C1)C4(N[S](C2=C(C=CC=C2)C3CCC3)(=O)=O)CCCCC4,DNDKNIPUEOMAIR-UHFFFAOYSA-N
-BC1CDFFF8527C15A_ECAE1B6425E294EC_6039_UN,CC(C)C2CCC(OCC(OC)C1=CC=CC=C1)CC2,DVTLQMYRGLUISE-UHFFFAOYSA-N
-BD25B87CD5257EDF_9FBFE6220A132402_6038_UN,CC(NC(CC(CCC)CCC)=O)C1=CC(=CC=C1)N2CCCC2=O,TUFPCODZOKFWIF-UHFFFAOYSA-N
-BF413DF60BFC5850_DF88F7461FB8B853_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NC3CC(CCOC)C3,RYQXDSYHAUIAAL-UHFFFAOYSA-N
-BFCF212E72B434BB_710EDAF62A673B04_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=C(C=C2)Cl)Cl)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,QUKQOTHEOZHNNW-FUHWJXTLSA-N
-C06EDB78FB2107C1_C32ED12891C02D18_6041_UN,FC1=CC2=C(C=C1)N=CN=C2N[C@@H]3C[P](C[C@H]3O[Si](C)(C)C)(=O)C,SJPIVCDUXLYOMG-AULLONERSA-N
-C381BAFF620CD549_B1CC99FB63AF42AE_2201_UN,CC3=CC2=NC1=C(C=CC=C1)C(=C2C(C3)C4=CC=CC=C4)C5CCCC5,YEOGOTMNYSXHGD-UHFFFAOYSA-N
-C45F34F6C94DCEF9_C468A88F2919CF41_6036_UN,C(CCNC(=C1N=CC=CC1=O)O)N([S](C2=C[N](C)N=C2)(=O)=O)CCBr,OULKQNCFQNFBLX-UHFFFAOYSA-N
-C5859D26524E9D92_57D9B0D7DCF0F75F_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)N[C@@H]3C2=C(C(=C(C)C=C2)C)OCC3)F,PWUIEVAIVMDQGK-HNNXBMFYSA-N
-C654504723454B63_82E7B6A6BD170EC1_6026_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)N3CC=C(C2=C(F)C(=CC=C2)Cl)CC3,IPMQGGJYVHAKIS-UHFFFAOYSA-N
-C763D092AC53A758_941613C3961E8A5D_6035_UN,CC2(CCCOC1=C(C(OC)=O)N=C(C=C1)Br)C(=NNC2=O)N,ODPPRJBFXWRFJX-UHFFFAOYSA-N
-C96D1E9681B126A0_86A509C6FDFE8C5E_6039_UN,CC2=C(OCC(NC1=C(C(NC(C)C)=O)C=CC=C1)=O)C(=O)OC2,VTXYUPGRXRFMIL-UHFFFAOYSA-N
-CA43211DD465AF67_3F02FF3C69BB340F_6038_UN,N(CC1ON=C(C1)C(=O)N)C(C=C([P](CC)(=O)O)C)=O,GNQASGXCTNWHAV-UHFFFAOYSA-N
-CAF9C65FA052B394_6F52A7344DAAB3EE_6041_UN,C1(=CC=C(S1)C2(CCC2)C#N)NC3=C(C)[N](N=C3)C[Si](C)(C)C,IAPYJSSFEWKWHU-UHFFFAOYSA-N
-CB8A8B235E3CE093_B3EB2072F2844284_6041_UN,FC1=CC=C(C=C1)[N]2C(=NN=C2C3CC3)NCC#C[Si](C)(C)C,XOKCVUGYEKSUHS-UHFFFAOYSA-N
-CBAA6D23FFABEB65_BE106CA7C1EE0D71_6041_DP,N1CCCN(CC1)C2=NC(=NC=N2)NC4=C3C=CC=C(C3=CC=C4)[S](=O)(=O)O,QGGFBUBURFGYAA-UHFFFAOYSA-N
-CC51D8F59893E99C_5128DE9F1CD664F6_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C(CCCC)C(C)C)=O,ZIKVRMIUSOIFIH-UHFFFAOYSA-N
-CC93E9D304D51138_34225937F01DEF7B_6041_UN,OC[C@H](O)C1=CC=C(C=C1)NC2COC3=C2C=C(C)C=C3,BMGIZGYEYQBYED-LYKKTTPLSA-N
-CE5480943B7B349B_1806408A06713854_6029_UN,N(C1=CC(=CC(=C1)C2C(C2)(F)F)C(F)(F)F)[S](C3=CC(=CC=C3)C=C)(=O)=O,YLETURMBLQZAJK-UHFFFAOYSA-N
-CE717EE3DDD5FC1A_A42C6EA2645ED5C0_6029_DP,N#CC1=CC=C(C=C1)N2CCCN(CC2)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,CZCGUFJNILESRI-UHFFFAOYSA-N
-CF09BC14A07EC290_83ADA0ABECDDC8A0_6028_UN,N(CCC1=CC(=CC(=C1)F)F)[S](C2=CC=C(C=C2)OC3CC3)(=O)=O,ZGXDJZCXJUNXGK-UHFFFAOYSA-N
-D090CD8C6A5D5713_4A058E6C10E8015F_6028_UN,ON(CC=C[P](=O)(O)O)[S](C2=NN=C(COC1=C(C=CC=C1)Cl)[N]2C3CC3)(=O)=O,RPHUOSZPYCQGTP-UHFFFAOYSA-N
-D16376DA863682D5_9E82D65EF1B2EAF7_6041_UN,CC(C)CC(=O)C1=CC=C(C=C1)N[C@@H]2[C@H](OC)COC2,WLSRJSGZFWFSHY-GOEBONIOSA-N
-D1B52B5B61C68381_6F92A2EF14026DE2_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3CCC(=CC3C)C)F,FAUXBGVPNHLXCX-UHFFFAOYSA-N
-D2364052521A9C08_F7B609B851C2F4FE_6038_UN,COC(=O)N(C)C1CC(C1)NC(C(C(OCC)=O)(C)F)=O,KNLFJDVRPRPPAB-UHFFFAOYSA-N
-D50C167593DAD6F9_5F27AAAB181134ED_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC[C@H](CC(OCCOC)=O)CC(C)C,UQYIZXNBHMWUSN-ZDUSSCGKSA-N
-D56C0F1D264A220E_B50E76E179D645F7_6029_UN,FC1=CC=C(C=C1)C3=C[N]2N=C(SC2=N3)N4CCN(CC4)[S](C5=NC=C(B(O)O)C=C5)(=O)=O,DBECZCPVXUGZDD-UHFFFAOYSA-N
-D8D10B68999E1540_FAB84E501C674413_6035_UN,CN2C(=C(COC1=C(C(OC)=O)C=C(C=C1I)Br)C[N]3N=NN=C23)C,VBWSVPYDFHIDNR-UHFFFAOYSA-N
-D91CBEA3BE98F5A8_1A6BCFE96E4A2CA6_6035_UN,CCOC(=O)C1=CN=[S](=O)(C)C=C1OC2=NN=C(C=C2)Br,NQBPWMIFGYMMGQ-UHFFFAOYSA-N
-DA1D46E5B6B8DF21_489B5374BE85F40B_6038_UN,N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(C4(C3=CC=CC(=C3)[S](C)(=O)=O)CCCC4)=O,ZVEFMQWAPWFRBG-GOSISDBHSA-N
-DF6AA868BADFD86D_D82ED20FBED0B064_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NC(CC)C3CC3,VQEJQFYFRDNSPF-UHFFFAOYSA-N
-DF87A9EAA6B95383_D0FA8DD919C17C99_6038_UN,N(CCC1=C[NH]C2=C1C=C(C(=C2)Cl)F)C(C3=CC=NC(=N3)CC(C)C)=O,PXJZVGBRDGWSNL-UHFFFAOYSA-N
-E2DE3AFD1B679A42_0E4D6D84EE692605_6041_UN,O[S](=O)(=O)C4=NC1=C(C=C(C=C1)NC2=C(C=C(C=C2)N3CCCCC3)F)[NH]4,ZYHQUNJXYIKDGO-UHFFFAOYSA-N
-E4E5F493B2E42512_98D8939FE961DE26_7022_UN,C1(=CC(=CC=C1)OC2CCCC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,GTUSERNBSKZWRW-UHFFFAOYSA-N
-E68E9C2B2FFC6E4F_51106CFC8F3C808B_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC[C@@]3(C[C@@H](C(OC)=O)C3)OC,SOHPOBCTFDPGLE-DXPFQBAHSA-N
-E97986599F40F2AB_8CAE007D7B15CABC_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3(CC3)[N]4C=C(Br)C=N4,KYJOJRWELJICMO-UHFFFAOYSA-N
-EA7FAB63107DB338_DF2223739ECBCACC_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)N3CCN(C2=C(F)C=CC=N2)CC3)Cl,UMVNEUUJHQJBSG-UHFFFAOYSA-N
-EBE22DC409A30D1A_6E96875A03359541_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)C[C@@H](C(OCC)=O)N,YWDHOFLQGOZMSM-LBPRGKRZSA-N
-EC3C4661B5C69BB9_19C454BB5B97FC92_6038_DP,CCOC(=O)C4=C(NC(C2ON=C(C1CNC1)C2)=O)C3=C(C=CC=C3F)[N]4C,HEKSVAUXBRBEAP-UHFFFAOYSA-N
-EE72C77EDA3DDDB9_AB420E82AD1D1C72_6041_DP,N1CC(C1)[N]2C=NC3=C2N=CN=C3NC4=CC=CC(=C4F)C(OC)=O,ORSXOCZMWITZDY-UHFFFAOYSA-N
-F281241E52AA531A_58FCA99F22B5CDEE_6029_UN,CC1=C(C=CC=C1)C4(N[S](C2=CC=C(C=C2)C3CCCC3)(=O)=O)CCCCC4,ZJJZWCHWHGIODE-UHFFFAOYSA-N
-F86FDA949467AD6F_0121B3CDB46936E1_6029_UN,COC1=CC(=CC=C1)C2=CCN(C2)[S](C4=CC(=C3OCOC3=C4)Cl)(=O)=O,QYDQKPNLCCZHBJ-UHFFFAOYSA-N
-FA39268B98515760_9BF51B3200F8C622_6038_UN,COCC(NC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)C#N,ZRGQYUBZWBHJGW-VVXQKDJTSA-N
-FFF3B90010BF0AA5_1F0D63D988EB1701_6029_UN,CC1=CC=C(C=C1)C4CCC(N[S](C2=CC=C(C=C2)OC3CC3)(=O)=O)CC4,XHKOIBZNIPVPBX-UHFFFAOYSA-N
-rxn:1:43039:4526,CC(C)(C)C1CCC(C(=O)NCc2cn(CC#Cc3cnc(Cl)c(C(=O)O)c3)nn2)CC1,HWFNUHYKAKLJTA-UHFFFAOYSA-N
-rxn:1:45249:17843,CC(C)C1C(=O)Nc2c(-c3cn(CCC#Cc4ccnc(Cl)c4Cl)nn3)cc(C(=O)C3CCCCC3)cc21,ALJUUYQIFUUHDZ-UHFFFAOYSA-N
-rxn:1:48073:17807,CCC(=O)c1cc(-c2cn(CC(O)C(O)c3c(C)ccc4c3C(=O)C(=O)N4)nn2)c2c(c1)C(C)(C)C(=O)N2,XGPICSHJDYPMED-UHFFFAOYSA-N
-rxn:1:48205:17788,CC(C)C(=O)c1cc(-c2cn(CC(O)C(O)c3ccnc(Cl)c3F)nn2)c2c(c1)C1(CCCC1)C(=O)N2,CLLKDRQFCJXZMB-UHFFFAOYSA-N
-rxn:1:50062:17848,CCCC1C(=O)Nc2c(-c3cn(CC4C(c5cccc(OC)n5)C4(F)F)nn3)cc(C(=O)C3CCC3)cc21,JVUSHMYPMKQFLO-UHFFFAOYSA-N
-rxn:1:50171:24926,CCC(=O)Nc1ccc(N2CC(c3cn(CC4C(c5ccc(OC)c(O)c5)C4(F)F)nn3)CC2=O)cc1,SSXBVRDLQLFNIL-UHFFFAOYSA-N
-rxn:1:50538:17843,CC(C)C1C(=O)Nc2c(-c3cn(CC4C(c5cnc6[nH]ccc6n5)C4(F)F)nn3)cc(C(=O)C3CCCCC3)cc21,BDTSEHXXTAVQNS-UHFFFAOYSA-N
-rxn:1:50609:8284,CC1(c2cc(O)[nH]n2)CCCN(C(=O)c2cn(CC3C(c4ccc5c(c4)CC(=O)N5)C3(F)F)nn2)C1,QYOBZPGXWBHELL-UHFFFAOYSA-N
-rxn:1:50658:8285,CC1(c2cc(O)[nH]n2)CCN(C(=O)c2cn(CC3C(c4ccc(C(=O)O)cc4F)C3(F)F)nn2)CC1,WPOWZQXFXDUVIB-UHFFFAOYSA-N
-rxn:1:50787:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cnc(C(=O)OC)nc5)C4(F)F)nn3)c2)CC1,MKGZQNVNNXSFEN-UHFFFAOYSA-N
-rxn:1:50872:8217,CNc1nccnc1C1CCN(C(=O)c2cn(CC3C(c4cccnc4C(=O)OC)C3(F)F)nn2)CC1,GBDISTZJSZHADE-UHFFFAOYSA-N
-rxn:1:50880:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cc(C(=O)OC)ccn5)C4(F)F)nn3)c2)CC1,UGGASWYKJKUEBB-UHFFFAOYSA-N
-rxn:1:51042:25111,CNC(=O)c1ccc(N2CC(c3cn(CC4C(c5ccc(OC)c(C(=O)O)c5)C4(F)F)nn3)CC2=O)cc1,VJABPUODHIVPNA-UHFFFAOYSA-N
-rxn:1:51063:8285,COc1ccc(C2C(Cn3cc(C(=O)N4CCC(C)(c5cc(O)[nH]n5)CC4)nn3)C2(F)F)c(C(=O)O)c1,JZRYAVHXWYOQSG-UHFFFAOYSA-N
-rxn:1:51355:22767,Nc1c(Br)c(C2CCCCC2)nn1-c1cncc(-c2cn(CC3C(c4ccc(F)c(C=CC(=O)O)c4)C3(F)F)nn2)c1,UVYNVBHSFOPGSD-UHFFFAOYSA-N
-rxn:1:53845:35459,CCCC1CCN(C(=O)c2ccc(-c3cn(CCC4C(c5cnc(O)c(O)c5)C4(F)F)nn3)c(C)c2)CC1,CNDKAYRQQDKSKU-UHFFFAOYSA-N
-rxn:1:53969:25111,CNC(=O)c1ccc(N2CC(c3cn(CCC4C(c5ccc(OC)c(O)c5)C4(F)F)nn3)CC2=O)cc1,KQHCCBWGVMWFAG-UHFFFAOYSA-N
-rxn:1:54100:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC3C(c4cnc(C(=O)O)nc4)C3(F)F)nn2)CC1,WCFOTKMKDRSVGQ-UHFFFAOYSA-N
-rxn:1:54262:17788,CC(C)C(=O)c1cc(-c2cn(CCC3C(c4ccc5[nH]ncc5c4)C3(F)F)nn2)c2c(c1)C1(CCCC1)C(=O)N2,YVVROCOVNUZARA-UHFFFAOYSA-N
-rxn:1:54769:17843,CC(C)C1C(=O)Nc2c(-c3cn(CCC4C(c5ccc6cnc(O)cc6c5)C4(F)F)nn3)cc(C(=O)C3CCCCC3)cc21,FJVYDYQUOLQZJW-UHFFFAOYSA-N
-rxn:1:54776:17788,CC(C)C(=O)c1cc(-c2cn(CCC3C(c4cnc(N5CCCC5)nc4)C3(F)F)nn2)c2c(c1)C1(CCCC1)C(=O)N2,YMGNEHGKBXHHCB-UHFFFAOYSA-N
-rxn:1:54776:22483,CC(=O)N(Cc1cn(CCC2C(c3cnc(N4CCCC4)nc3)C2(F)F)nn1)c1cccc(C(=O)O)c1,LJRGGSNQFCLUHI-UHFFFAOYSA-N
-rxn:1:59804:24598,Cc1ccccc1C[C@@H](C(=O)O)N1CC(c2cn(C3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nn2)CC1=O,DHICPWCXXBNVTD-BVHINDKJSA-N
-rxn:1:60317:34723,COc1ccc(C=CC(=O)N2CCC(n3cc(COc4ccc(C=C5C(=O)ON=C5C)cc4Br)nn3)CC2)cc1,LNQUHAIBQIKJKN-UHFFFAOYSA-N
-rxn:1:62645:17807,CCC(=O)c1cc(-c2cn(CC3CC(=O)N(C(C)C(=O)O)C3)nn2)c2c(c1)C(C)(C)C(=O)N2,KVOLPDCHHRTDFZ-UHFFFAOYSA-N
-rxn:1:62648:24721,CC(C)(C)C(c1ccccc1)N1CC(Cn2cc(C3CC(=O)N([C@@H](CS)C(=O)O)C3)nn2)CC1=O,DJSVPKKOTAVFAC-ZQXYWMNUSA-N
-rxn:1:62972:8005,CC(=O)c1ccccc1N1CC(Cn2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)nn2)CC1=O,QCUFUEIOKBBVKC-UHFFFAOYSA-N
-rxn:1:63055:29382,CCn1cc(N2CC(Cn3cc(-c4ccccc4C(=O)N4CCC(C(F)(F)F)CC4)nn3)CC2=O)cn1,HCKQHTBJGHUDSS-UHFFFAOYSA-N
-rxn:1:63095:26049,CNC(=O)c1cccc(N2CC(Cn3cc(C4CC(=O)N(CCC[Si](O)(O)O)C4)nn3)CC2=O)c1,YXZCVRZDYHPJDO-UHFFFAOYSA-N
-rxn:1:63260:33381,COc1ccc(O)c(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)c1,IEJIVYQNNPGDMK-UHFFFAOYSA-N
-rxn:1:63305:13496,COc1ccncc1N1CC(Cn2cc(CN3C(=O)SC(=Cc4cc(Br)cc(OC)c4O)C3=O)nn2)CC1=O,CKRNVHURTXIMDC-UHFFFAOYSA-N
-rxn:1:63365:33381,COc1cc(N2CC(Cn3cc(CN4C(=O)SC(=Cc5ccc(OC)c(I)c5)C4=O)nn3)CC2=O)ccn1,MIRNJIBTITYOTM-UHFFFAOYSA-N
-rxn:1:63400:24555,CCC(c1cccnc1)N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,WBCVEOQOLDPIBI-UHFFFAOYSA-N
-rxn:1:63400:25443,CSc1ccccc1N1CC(c2cn(CC3CC(=O)N(c4ccccc4C#C[Si](C)(C)C)C3)nn2)CC1=O,BFDCIFDCXZDJTB-UHFFFAOYSA-N
-rxn:1:63595:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5ccc(C)c(Br)c5)C4)nn3)C2=O)c1,TUVHYKWBANAKRQ-UHFFFAOYSA-N
-rxn:1:63960:33119,Cc1cc(C(=O)NCC(C)(C)C)ccc1-c1cn(CC2CC(=O)N(C3(C(=O)O)CC3)C2)nn1,XAKCVZQWSYVOKC-UHFFFAOYSA-N
-rxn:1:65500:20644,O=C(Nc1ccc(F)cc1F)NC1(c2cn(CC3CC(=O)N(c4cc(O)c5ccccc5n4)C3)nn2)CCCCC1,BLQROTZDCKNYQC-UHFFFAOYSA-N
-rxn:2:102040:144460,CCC(NC1CCN(c2n[nH]c(=O)[nH]c2=O)C1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,MHFOLBHJVVJDGN-UHFFFAOYSA-N
-rxn:2:104232:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(c1ccccc1)C1CCCCC1,YMQMTXXDJCCXKF-UHFFFAOYSA-N
-rxn:2:111494:148296,CCC1(OC)CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,WFOYKXJRLDEHPS-UHFFFAOYSA-N
-rxn:2:115446:84154,CCOC1CN(c2ccc(NC(C)c3ccc(N4CCN(C)CC4)cc3)cn2)CC1OC,ROMDDPGQNHAYRR-UHFFFAOYSA-N
-0156E6ABFD83ADD5_ED32F0E0781BA59A_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=C(C(=CC=C3)F)C4CC4,VTVLKIOLFQPUED-UHFFFAOYSA-N
-023CDABEF4B467EE_448D2BCCFCABEFBE_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCOCC2)[N]3CC4=CC=CO4)(=O)=O,KJCAKTFSVBUOPV-UHFFFAOYSA-N
-02D42D0E93E9034E_2EC4350B4BBE5721_6038_UN,C[N]1C=C(CC(NC(C(CN(C)C)=C)=O)C(=O)N)N=N1,NJJDKSJTIZKVJZ-UHFFFAOYSA-N
-02D60DBBD2CADFD4_9DEDBCCB6E1770E3_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(=CC(C(C)(C)C)=O)C3=CC=CO3,JYYNMQYLKVEDRW-UHFFFAOYSA-N
-03D2BBAA28C13462_7AEF1CBAA0551E98_6038_UN,COC1=C(C=C(C=C1)CCNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,NLCQUSSAFPGBMC-UHFFFAOYSA-N
-042308221E4FB70D_47F1E9F4D4396966_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CC)[N](N=C2)CC(C)C)[NH]N=C3,AOJVQJHVEDAADD-UHFFFAOYSA-N
-05AB7F3FDD9B8DF5_305BD7F703D5DAF2_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,JJLXPHYIEMROBB-UHFFFAOYSA-N
-05C23894A38616E6_04168A2706F6901A_6041_UN,C2(=N[N]1C=CC=CC1=N2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,MABQGRFDUXAFTB-UHFFFAOYSA-N
-05D345F9863800BB_58D20F9224F10548_6031_UN,CC1=C(C(NC(N1)=O)=O)CCC(=O)OCC[Si](C)(C)C,DFNSOJAOHVXNJN-UHFFFAOYSA-N
-0659EA9407CDA1BC_B12E0452B8508729_6028_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Br)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,GEQNPRDYLOMXLD-MAUKXSAKSA-N
-0788449B25BB01FE_22DA37F60FF1D7AA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=NS5)(=O)=O,BVWMADDYBUCGFN-UHFFFAOYSA-N
-07A0F8CEF6888ACF_0AD4825E40642F8E_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCOCC4)F,SAVQONLXAQJQKR-UHFFFAOYSA-N
-08152736FDBDC8F4_796F1A779EC49814_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CCCCC5)(=O)=O,OVTJGAVDUZHMGJ-UHFFFAOYSA-N
-084ECDE074B601B5_E6745A868B928EF1_6038_UN,CC(C)N1C(=NCC1)CNC(C=C(C)C2=CC=CS2)=O,YQGQRGFNEXUHCY-UHFFFAOYSA-N
-099B55EEFCE84FE1_139F3BBBAEDD19CE_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=N[N]3C4=CC5=C(C=C4)OCO5)(=O)=O)C,WVRJJOWZUAHSTJ-UHFFFAOYSA-N
-09DD334690B6F959_FC8F56A180836FC4_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=CC=C(F)C=C3)(=O)=O,REUVZVREXRXDFG-MQMHXKEQSA-N
-0B8AD0C02F4FE3F8_8BE5C4E6F692ABF5_2267_DP,OC(=O)C2=CC=C(C#CC(B1OC(CN(C)CC(O1)=O)=O)=C)S2,RTWOLCPVXUACFL-UHFFFAOYSA-N
-0C90ECF11FF6FADB_AF762DC66C276B7C_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(=O)[C@@H]4C[C@@H]4C#N,CVTAGOWZUZZQMK-ZIAGYGMSSA-N
-0E4F238B46037EC0_F8E02F2A845B59F0_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C(=C2)F)Br)F,VVGKHELNDFCLGU-UHFFFAOYSA-N
-0E730B97FB0F2A70_218914308F7DAC29_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=CC(=C2)OC3=CC=CC(=C3)Cl,UTJPKXYWWXESRW-UHFFFAOYSA-N
-0E7F07B95744F3E0_940A463A7212A734_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C=CC3=C(C)C=NC=C3)=O,IJTABFXSIKYEEJ-UHFFFAOYSA-N
-0FB8FB8EF6A508B7_3D43CC0BC24FB26C_6038_UN,N(CC1=CC=C(C=C1)N2CCCCC2=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,IZWZDBVLMCVZHL-UHFFFAOYSA-N
-13D7DB1D7CEE02AF_169E91D660B7589F_6029_UN,N(C(CC1CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,SUCHFCYTFVQKGP-UHFFFAOYSA-N
-14886B01F1EE0006_317CEB8A74149252_6041_UN,O=[N](=O)C1=C(N=C[NH]1)N[C@H](C(N(OC)C)=O)CCSC,NUSZXRWYFQOAML-ZETCQYMHSA-N
-15620BBE81BAF8A0_E6D3F84C96F12F1A_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,KBPNVGYSVQNDAR-YLJYHZDGSA-N
-16E45ECA9AC496DE_4FCA566F3CC0965F_6038_UN,N(CC1=C(C=CC(=C1)C2CC2)F)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,JWEGNSVEDYTKSL-UHFFFAOYSA-N
-1834771F85146935_968F11307DEFB294_6033_UN,O(C(=O)CC1=CC(=O)NC(=O)N1)CC(C(OC)=O)=CC2=CC(=C(C=C2)F)F,HVDPDZIDAUHGML-UHFFFAOYSA-N
-187411F7A066F618_D8C518ACEE04479D_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCCC[Si](C)(C)C,DISLYOPOBVGYCS-UHFFFAOYSA-N
-188885F666A16302_913DC7E6310EF2FB_6038_DP,O(C1=CC(=O)OC2=C1C=C(C=C2)F)C(C=C3CNC3)=O,BKTZYKMCYAMRGF-UHFFFAOYSA-N
-1A76E1BCB8CD094F_8C75DFEE16015DDF_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=CC(=C(C=C3)Br)F,OWZCSDMATMFKEI-UHFFFAOYSA-N
-1D8290CC2645B16C_63B8ADEC9F004AE3_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C3=C(C=CC=C3)[S](=O)(=O)Cl,UCTYVXBSZDVLDT-UHFFFAOYSA-N
-2055BADE8C900FED_0AB6E8A06E0D369D_6038_UN,NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=CC=N3)N4CCCCC4,VGBONJGKVYSEAB-UHFFFAOYSA-N
-20E96F122EE4D66E_9F8B5585F047091B_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,FFNKEDWLXALWJN-UHFFFAOYSA-N
-2380182D6E987E0A_9D5F6AA2CE3D0FA2_6038_UN,CCC1(COC(C(CN(C)C)=C)=O)C(=O)NC(=O)NC1=O,PBPKGAKNLGMFPK-UHFFFAOYSA-N
-239EF941AE5FBB9A_17AB0D1806688391_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4(C(N(C(C)C)C)=O)CC4)=O,VDYSIAFREUUTJN-UHFFFAOYSA-N
-250D58C90D9F18F6_21CCF7C6D60069D0_6029_UN,N(C(CC1=CC=CC=C1)C2=CC=CC=C2)[S](C4=C([C@@H]3C[C@H]3[S](Cl)(=O)=O)C=CC=C4)(=O)=O,GPNHQNYLBZJXBV-AXUWQRLWSA-N
-257AF7C6DFD7C6B7_41A432FE42DCBE66_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC([C@H]4CCN4)=O,AOPOXEDWWFJRBU-CQSZACIVSA-N
-261495C272745BED_78EDFDBA37AAC2BE_6038_DP,CC1=C(C(C3=C(O1)C=C(OC(C2(C(O)=O)CC2)=O)C=C3)=O)C4=CC=CC=C4,WJRQUMJXQSYKLD-UHFFFAOYSA-N
-2750B877FE445EA6_B268A6BE28522409_6038_UN,NC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CN=C(N=C3)C4=CC=CC=C4,CXBDENKIUGMRFU-UHFFFAOYSA-N
-277D371EB0EE0E87_F8C9C5D8ABFD4F92_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[N](N=C3)CC4=CC=C(C=C4)Br,LLXBJMQBTJTEPZ-UHFFFAOYSA-N
-27D8FAFB59AE433E_60DE3479D56CB18E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)I)NC2=C(CC(=O)N2C3=CC=CC=C3)C#N,OTLYLFHEIDWRPC-UHFFFAOYSA-N
-27D989276176B1FF_9D11C3776B415F8D_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,RDCSGLRQVVJICQ-UHFFFAOYSA-N
-291F289A03C9280C_A85B994A46606FC5_6038_UN,O(C1=C(C=CC=C1)N2CCCC2=O)C(C3=CC(=C(C)C=C3)OC4=CC=NC=C4)=O,VFVHLTDHGRNNAQ-UHFFFAOYSA-N
-2941AAC8ED43893A_53A99F61F9A55395_6038_UN,O(C2=C1C=C(C(=CC1=NC=C2)Cl)Br)C(=O)C3=CC(=CC=C3)N4CCOCC4=O,QWJGLYGZPWDGLI-UHFFFAOYSA-N
-2A1B11C578116287_134E776FFA71AC63_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=C(CC(F)F)C=C3)(=O)=O,JHNCCURLYLQNPM-RUCARUNLSA-N
-2ACAA340D7C5884F_1A732A3AD086412A_6041_DP,CC(C)C1=NC(=NC(=N1)NCCCCC(C(NN)=O)(C)C)N(C)C,BDKUURYDKKJWEP-UHFFFAOYSA-N
-2AF788595275739A_511B2AC64BA658F0_6038_DP,CC4(CNC(C2ON=C(C1CNC1)C2)=O)COC3=C(C=CC=C3)O4,PZEBORQOERMBTK-UHFFFAOYSA-N
-2E9A8B42BA2AAFFB_CF230CDB9BA51BDC_6029_UN,CCCCC(C)(N[S](C1=C([S](Cl)(=O)=O)OC=C1)(=O)=O)C(=O)O,PJZOPKMIZQFPQW-UHFFFAOYSA-N
-2F2D34BAA92A1A31_581FB8C7BFA468A6_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4(CC(C)=O)CC4)=O,JZWZQFUVBKCUMO-UHFFFAOYSA-N
-2FAAE7AD78E04DFD_C98BF642C19EC9A5_6041_DP,CC(C)CC(=O)C1=CC(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3,SKQCTAONWIBVCK-UHFFFAOYSA-N
-303DC14CA6543B41_31DDA845D6FDFD1F_6038_UN,N(C1=C(C=CC=C1)CN2C(=O)CCC2=O)C(C=CC3=C(C)C=CN=C3)=O,LGMYPOSCSZMMLF-UHFFFAOYSA-N
-307264D3611E2467_0CED566AB5C622DB_6038_DP,OC(=O)[C@@H](NC(CC(CC(OC)=O)(C)C)=O)C1=CC=CC=C1,UXOMVKFLIXOCAS-AWEZNQCLSA-N
-30B6C100E445B507_A6E096754B6E2623_6041_UN,OC(=O)C2=C1OCOC1=CC(=C2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,LSXPQOLVAZOAOQ-UHFFFAOYSA-N
-30FC367F64A7E0B6_8849A1AE754B411B_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N3CCN(C2=C(C=C(Cl)C=N2)Cl)CC3)N4CCOC4=O,DXDAWMWVCKBOSZ-UHFFFAOYSA-N
-344A8B293810B8D7_5B6F1E33C8BB5E67_6038_DP,N(C1=C(C=C(C=C1)C2=N[NH]C=N2)F)C([C@H]3CSCN3)=O,IHOMGFYUIXECJR-SNVBAGLBSA-N
-34A58DD82D711F7A_4970EED7E9D10B98_6041_DP,C1(=CC=C(C=C1)CCN=C=O)NCCCCC(C(NN)=O)(C)C,MCNAWYWTRFSNAO-UHFFFAOYSA-N
-35F9258337E2D267_8676F52CAF49AC4B_6041_UN,CC1=CC2=C(C=C1)C(=NC=N2)NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCCCC4,KMSJTTSOOPNYIY-UHFFFAOYSA-N
-393C19FB21239389_43AA63F0B408D81D_6035_UN,O(C[S](=O)(=O)O)C2=CC=C(B1OC(CN(C)CC(O1)=O)=O)C=C2,KRMVMPMUZDWIBP-UHFFFAOYSA-N
-3995584788FCD319_395E2AC61879D018_6029_UN,N([C@@H]1[C@@H](CCC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,NYHHVZMTBWTMMK-GOTSBHOMSA-N
-3AB10D5E1D6782C0_87F8EEA6254D5FA5_6035_UN,C[S](=O)(=O)C1=NC=C(C=N1)CCOC3=CC2=C(C(CC(C)(C)O2)=O)C=C3,KQOAUJOOCFKKQK-UHFFFAOYSA-N
-3C21932C121282D5_E8020B22947A0B51_6039_UN,O(CCC1(CCC#C)N=N1)CC[N]2N=C([N](=O)=O)C=C2,KRLRHBRLRXACOC-UHFFFAOYSA-N
-3CBBEBA437A8F8C2_51796ED5756B8846_6038_UN,CC1=NC5=C(C(=C1)N4CCC(OC(=O)C2CCN(C2=O)C3=CC(=C(C=C3)Cl)Cl)CC4)C=CC=C5,JADDSVGOSNCCJZ-UHFFFAOYSA-N
-3DC4E42E4D13D543_0F464D008D28200E_6041_DP,CC(C)C(=O)CC1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,HNROZAQYOATRNH-UHFFFAOYSA-N
-3E4EA94E81D96F10_4326058FF0A53374_6034_UN,COC1=CC(=CC=C1)NC3=C2N(C=NC2=NC(=N3)Cl)CC(C(N(C)C)=O)C4=CC=CC=C4,VJONIDRATCBWQJ-UHFFFAOYSA-N
-4373D8AD4298E944_3A68C719489A28FD_6038_DP,NC1=C(C#N)C=N[N]1C2=CC=C(C=C2)NC([C@@H]3CSCN3)=O,RKHIUIJVUCMRAI-LBPRGKRZSA-N
-459502E0DAC29E86_E2490704C3AD5940_2201_UN,C[Si](C)(C)C#CC2=NC1=C(C=CS1)C(=C2C3=CC=CC=C3)C4=CC=CC=C4,FZOKZYFHHKIRQV-UHFFFAOYSA-N
-459F7FA22F625581_B51DD49000FE3F48_6041_DP,OC(=O)CCC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,UNAFGILZDLZBAG-UHFFFAOYSA-N
-45C8BFD5AB569791_4E20B29D624AB6BF_6038_UN,CC(OC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)C3=CC=C(C#N)S3,HUZOUXDKNGCFBW-RFSDDRETSA-N
-47DFAA5A034E29DD_4A33CB4DC773AAD5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NCC3=CC=C(C(C)C)C=C3,OVDOYMHXBBNHEN-UHFFFAOYSA-N
-4A694237EFF0FAB4_A3EB796926FA6D02_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C=CC3=C(C)N=C(C=C3)N)=O,IHELXIRHBFCESU-UHFFFAOYSA-N
-4B0B3F6BE6DA5738_038A6232FC76C404_6038_UN,N([CH]1C[C](C1)=[CH2])C(C3=CC=C(C2=CN=N[N]2C)C=C3)=O,LMDUCYMJGDJGLS-UHFFFAOYSA-N
-4B663B22D8B6A60B_72D2BED0A823120B_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=CN=C(NNC(C(C)C)=O)C=C3,GQFFVVXGUOSZSH-UHFFFAOYSA-N
-4CBAD5FC81D5E575_BEAA4146D088FCAA_6029_UN,N(C2(CC1=CC=C(C=C1)F)CCCCC2)[S](C3=CC(=CC=C3)C#C)(=O)=O,VSVCKBIZUUOQED-UHFFFAOYSA-N
-4D36CCAE67DFE3DD_842162EB27892536_6026_UN,O=[N](=O)C2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)N5CC(N4CC[N]3C(=NN=C3C)C4)C5,MLANHEYXGWCXRX-UHFFFAOYSA-N
-4E4ECC4C6D57BE9F_4E8BD783B7FA6516_6041_UN,C2(=C1C=C[N](C1=NC=N2)C3CC3)NC4=C(OC(C)C)C=CC(=C4)[S](=O)(=O)N(C)C,XPQHTWSOVDJSLI-UHFFFAOYSA-N
-4F1723D0EE9348BD_A26CA47B76A0A3D9_6041_UN,C1(=CC=C(C=C1)N2CC(=O)OC(=O)C2)NC3=C(C)C=CC(=C3)C5=NC4=C(C=CC=C4)S5,CWOPQTYDFHLDSM-UHFFFAOYSA-N
-51FA8A97C9E6A8C6_38CBB83BF63FD289_6038_UN,CC(NC(=O)C1=CC(=CN=C1)N2CCCC2=O)C3=CC=C(C=C3)N4CCCOC4=O,MRJAKLPFKCTCMT-UHFFFAOYSA-N
-5204AAF9C6FC3FDE_D77D1064D94B3833_6038_UN,CC1=CC(=CC(=C1)OC(C3=NOC(C2=CC=C(C)C=C2)C3)=O)N4CCCC4=O,UXLZTPGOVNVPLY-UHFFFAOYSA-N
-53741CFEECCC8C60_4DB708A6A29D0A7E_6038_DP,N(C1=C(C=CN=C1)C2=CC=C(C=C2)F)C(C3=N[NH]C(=C3)C4CCCN4)=O,VXVPFLLVFKUOIL-UHFFFAOYSA-N
-550B175F8837E686_396EED2A9BD620D6_6041_UN,CN(C)C1=NC3=C(C(=N1)NCC2(CN(C(C(C)C)=O)C2)F)C=CC=C3,ZZEMXKCLOOLVRH-UHFFFAOYSA-N
-57550F1120E2745D_E157814C6ECEF69F_6035_UN,CCCCC(OC1=CN=C(C=C1)[S](=O)(=O)F)(CCl)C#C[Si](C)(C)C,MVYXLNRPGBDYQO-UHFFFAOYSA-N
-575F75D612CC1383_EAFE3A2614711B6C_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC3=CN=C(N2CCN([S](C)(=O)=O)CC2)C=C3)N4CCOC4=O,HXGWOSFPFXSLAJ-UHFFFAOYSA-N
-5985A0B37C83CEA2_BD74E3114F18AEE6_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCCC)C)=O,SXZXBEULMCNTSK-UHFFFAOYSA-N
-5A0ED53AA67340A4_C79DF2B5C615A041_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(=O)CN4C(=O)NNC4=O,BCPGBKZFJZIEIT-UHFFFAOYSA-N
-5B1CB8FEAE5284E5_7130B3CEA1A31DEE_7015_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](=O)(=O)C6=NC5=C(C=CC=C5)[NH]6,KQHIZLYFPWYTLG-UHFFFAOYSA-N
-5C7374837E88D954_06694592A5837F14_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,PKTYQGDWALZQRP-UHFFFAOYSA-N
-5C8EA882635D77D3_617DB040C894F595_6031_UN,CC(C)COC[C@H](N)C(=O)OCC[N]1C=NC(=N1)[N](=O)=O,HAXNRKQTMNYTNV-VIFPVBQESA-N
-5DE0E0EBF2C89537_BAA1D761B3B36617_6026_UN,ClCCC1=CC=C(C=C1)[S](=O)(=O)NCC2(C(C)C)CC2,VXPXUMLZMLNBFV-UHFFFAOYSA-N
-5E132290606C0D3E_C550ECE8B2C97CE4_6031_UN,CC(CC(=O)OCC1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)C2=C[NH]C3=C2C=CC=C3,HEZHMDIDAIYVDD-UHFFFAOYSA-N
-5F278736023344CC_707702085E7CE4EF_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,FKWHTDHZGACIHV-YLJYHZDGSA-N
-5FDC666DF748CE5C_4ED8802AD610729B_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CN=C(C(N(C)C)=O)C=C3,YEEUBUIZRWMLNM-UHFFFAOYSA-N
-601CFD9F63DD1848_4893F0CE52DBF45D_6038_UN,CN(C)CCN(C)CCCNC(=O)C1=CC=C(C#N)[NH]1,RYYKBBGFYZUSGQ-UHFFFAOYSA-N
-60DEFCC13ADA0883_2FFEF7A368C5BA9C_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC=C(C=C2)[S](=O)(=O)F,CFWQPVPEYYMPAY-UHFFFAOYSA-N
-61A7173C4EE1D1A4_1D1E9EFF4A46608C_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC(=NO5)C6CC6)(=O)=O,STMJDLJPTWGVBQ-UHFFFAOYSA-N
-6281212ADB5E6285_D00B6BA9E2690F9B_6003_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C3=C(C(=CC=C3)F)C(=O)CC4CC4,JIRNQMKJOZZKRL-UHFFFAOYSA-N
-62D6EA24C4F63E46_B69B211C94B9A58E_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCC2=O)C(C=C(C)C3=CN=CC=C3)=O,ZASLNRNAPOYESP-UHFFFAOYSA-N
-632C2B265CD2226E_F0440C55C466DE42_6029_UN,N(C1=C(C=C(C=C1)I)O)[S](C3=CC=C(C2(C(F)F)CO2)C=C3)(=O)=O,ZXXPWRUVXRIUGF-UHFFFAOYSA-N
-64549D6CD097A13C_2CC1E51C6C32B487_7019_UN,CC(C)(C)[N]1N=NC(=N1)CC=CC2=CC=CC(=N2)C#C[Si](C)(C)C,LUYNZCZVMXCINT-UHFFFAOYSA-N
-64CC06E43B45DF4D_9F8577B17704F699_6029_UN,N(C1(CCC1)C2CCC2)[S](C4=C(CC(C3=CC=C(C)C=C3)=O)C=CC=C4)(=O)=O,ISGPVDRZSCITSK-UHFFFAOYSA-N
-67963029424A8689_6E824B0629850446_6041_UN,O=[N](=O)C2=C1N=CN=C(C1=CC=C2)NC4(C(C)(C)C3=CC=C(C=C3)F)CC4,GFPOOWJWIZISRH-UHFFFAOYSA-N
-67B4DBE766845716_8726F265B92D0AFE_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,AODDPJLKCAOQSC-UHFFFAOYSA-N
-68CACF8991767063_0C37726883099492_6029_UN,N(C1CCC(CCC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,NWWLPDXZQNSBQJ-UHFFFAOYSA-N
-69301C0112984CB4_6ED5724497BBF4A1_7022_UN,C1(=CN=C(C=C1)Br)N[C@@H](CC(C)C)C(=O)N2CC(CC2)N(C)C,XUXSVILHDYRSKY-LOACHALJSA-N
-6973EFB9A64F9CBF_9D83F34F1448B0E7_6029_UN,N(C1CC(CC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,JOLDLMKXQQVFGE-UHFFFAOYSA-N
-6A223C4A330D9247_F727D5905455167F_6031_UN,O(C(=O)CC1=CC(=O)NC(=O)N1)CC(CC)NCC2=C(C=CC=C2)Br,WTJNFDHUDOYJPH-UHFFFAOYSA-N
-6AAADB52D6A8CFAF_D2A5E87230CF9A79_6029_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCC4)(=O)=O,NOAIRHNNKFLDRL-UHFFFAOYSA-N
-6C4EC5BE50AF0D4D_568227A14943B483_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C(CC)=CC)=O,AVDFWMJUZBWZLH-UHFFFAOYSA-N
-6EA183DC7A260847_4D4632B24B258211_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CCC)C)=O,GDSKYFATYOYODI-UHFFFAOYSA-N
-70909005B7CEF96F_B9280F0EC3157427_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC(=CC=C3)C(F)(F)F,VFDAEZLMIDWRBM-LSDHHAIUSA-N
-70FD02D86FA72410_1A8612A86CFD7AA9_6041_UN,C[N]1C=CC2=C1N=CN=C2NC4=C(C(N3CCC(C)CC3)=O)C=CC=C4,VRHBTHADIIWMQS-UHFFFAOYSA-N
-7217C0F0DC3DE155_09CC3DBCC1FC9DA9_6038_UN,CC(C)(C)CCC(NC(C1=CC(=C(B(O)O)C=C1)F)=O)C2=NN=C[NH]2,KZSLVMNYVVNKTI-UHFFFAOYSA-N
-74BDC8ADED75B8EF_E38835CE50D58F9A_6041_UN,COC(=O)C1=N[NH]C(=C1NC3=CC=C(C(N2CCN(C)CC2)=O)C=C3)C,CTHDPSMBUYXHOG-UHFFFAOYSA-N
-770625DCE92C3D28_5C444D542B010D35_6038_UN,CC(NC(C=CC1=CC=C(SC)C=C1)=O)CN2C(OCC2)=O,WYNDCMXZVWDUDZ-UHFFFAOYSA-N
-777242AE7FA9AAC9_920A62C23B3C04B2_7019_UN,NC1=NC(NC(=N1)C=CC(C(C)C)C2=CC=CC=C2)=O,SKBNGJSZPIKKDH-UHFFFAOYSA-N
-78222AA016924F50_C47EA6CFC7027940_6041_UN,C2(=C1N=C[N](C1=NC=N2)C3=CC=CC=C3)NC4CCC(N(C)C4C5=CC=CS5)=O,KSOMFYWHDIOEEK-UHFFFAOYSA-N
-7AEDC11F0B376765_A249E5AC76A3A638_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CCC3(C)N=N3)=O,IESQHBNREFXVPA-UHFFFAOYSA-N
-7B4BD0878771380D_435AEED7F7223F2B_6038_UN,CN2C(=C(COC(C1=CC=C(B(O)O)C=C1)=O)C[N]3N=NN=C23)C,YVINZRAFSIFXFX-UHFFFAOYSA-N
-7C9A75664A7C1F70_0CA2FEF5F88CBE2B_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C4=CC(=C(N3CCN(C)CC3)C=C4)[N](=O)=O)=O,ORQBHQDNFVEZBK-UHFFFAOYSA-N
-7D7485E410E78756_17EA4A2E963F5863_6034_UN,FC1=C(C=C(C=C1)C2=NC=CN2CC#C[Si](C)(C)C)Br,HSUPFNMEKJQMRM-UHFFFAOYSA-N
-7DCBC1F738FFD309_71374C818BBB0A60_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(OC(C)=O)C=C(C=C3)C)=O,OIOHNSANIUOZMU-UHFFFAOYSA-N
-7E3987E5803EFEEC_C04BF2B749C73CC0_6031_UN,O(C(=O)C1=CC=C(C=C1)[N]2C=NN=C2)CC3C(N(C)C(CC3)=O)C4=CC(=CC=C4)Cl,AFOOXKUGGRUTHD-UHFFFAOYSA-N
-7E6F6D193D66E370_B0EE8549D98103FB_6041_UN,OC(=O)C1=CC5=C(C(=C1)NC2=C(C)C=CC(=C2)C4=NC3=C(C=CC=C3)S4)OCCCO5,VNDXRHVGEBWOMR-UHFFFAOYSA-N
-80E414EE445A7818_D8593404A89C814B_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)NC2(CC)CC2,MVRSNAKEXSWQNQ-UHFFFAOYSA-N
-81696B850F4C9E0C_6914F6EA8640776C_6038_UN,CN1CCN(CC1)C(=O)C(NC(C(CCC(C)=O)(C)C)=O)CC2=CC=CC=C2,PKEYDZVNGPCUTB-UHFFFAOYSA-N
-81D895EFD6099ADD_EAC6C36E7F534D4D_6035_UN,CN2C(=C(COC1=C(C=C(C(OC)=O)C=C1OC)[N](=O)=O)C[N]3N=NN=C23)C,DIQSKEGSDNKRDW-UHFFFAOYSA-N
-87D202472A899E86_5057CA94AB087CFD_6029_UN,N(CC1(CC(C1)(F)F)C2=CC=CC=C2)[S](C3=C(F)C=C(C=C3)C4CC4)(=O)=O,MDMOKFCPGUNCNB-UHFFFAOYSA-N
-88BD5AF8600343B1_1312691328081E32_6029_UN,N(C2CC(CC1=CC=CC=C1)C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,ITTPKVBBAZUKEY-UHFFFAOYSA-N
-8A791EB9D3526B1E_FB816581C1BE8F32_6031_UN,CC(=O)OC(C(OC(=O)C)C2=NC1=C(C=CC=C1)S2)C(=O)OCC(CBr)(CBr)CBr,SCDLLPIUICODGO-UHFFFAOYSA-N
-8BC9B5789CBB9169_E6C93C404AEC1B0B_6038_DP,N1CCN(CC1)C2=C(C=CC=C2)NC(=O)C(=O)CC(=O)C3=CSC=C3,HEDDEFXOPYJNHY-UHFFFAOYSA-N
-8CF4EF5355CA0F99_7F175E92EDBE902C_6038_UN,CN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(CCC3(C)N=N3)=O,GQJSVSMJTJGLQU-UHFFFAOYSA-N
-8CF8A75AC34D128E_CD4B7A17F00C87D1_6041_UN,C[N]1C=CC2=C1N=CN=C2NC(C)CC(=O)C3=CC=CO3,ZKCNBWHCNVHVRR-UHFFFAOYSA-N
-8D4760A8892F1B9F_A50F299B64FECFA4_6039_UN,CNC(=O)NCCCOCC(NC1=C(C(OCC)=O)C=CS1)=O,ISGVSCOEMFZHOX-UHFFFAOYSA-N
-8E93ECB9A5EC3CDE_758FDCD3830514A5_6041_UN,CC1=NC2=C(C(=N1)NC(C)=C(C#N)C(=O)O)C(=CS2)C3=CC=CC=C3,PBJYFZSOAXQRME-UHFFFAOYSA-N
-8EEF04F063917E74_B2AD6D5EFCA0B69C_6041_UN,CC(C)C1=C(C2=C(N=C1C)C=CC=C2)NC[C@@H]3[C@H](N(C)C(C3)=O)C4=C[N](N=C4)C,IYVBSYNSQQVMJY-MWTRTKDXSA-N
-903B48F7DF3E045E_BA33EBD75C7FBB80_6038_UN,CCCOC(=O)C(NC(CCC1=C(C)C2=C(NC1=O)NNC2=O)=O)CC3=COC=C3,ZCVQXQALINZKLK-UHFFFAOYSA-N
-92C9D1FEE6578F02_A19DD661D3671A14_6029_UN,N(C[C@H]1C[C@H](C1)C2=CC=CC=C2)[S](C4=CC=C(C3(C(F)F)CO3)C=C4)(=O)=O,LLEYSUUZKUPBBB-SJQVZRKLSA-N
-94A2DA47AB45CB05_B67216463EF3311D_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C4=C(C(C3=CC=C(CC)S3)=O)C=CC=C4)=O,STXMHPLZPZPSQA-UHFFFAOYSA-N
-94AA54DF986DB910_547BF9F8737BA26E_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(C(CC(CC)C)C)=O,FFZSJROTXSTKDZ-UHFFFAOYSA-N
-952C587853A596F9_37757FBBAE028D9C_6026_UN,CC(C)C1=C(C=CC=C1)[S](=O)(=O)NCC2CCC(F)(F)CC2,YLPAMMGJFMKZEA-UHFFFAOYSA-N
-95C810E13C694D97_162AA8E0519B35E9_6038_UN,C[Si](C)(C)O[C@@H]1C[P](=O)(C)C[C@H]1NC([C@H](C(C)C)N(C)C)=O,POOVBEGSZFOQOI-FJKIYIJWSA-N
-979DA7D1A76C621C_C383803D7B2E1017_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=CC=C(N2CC(C)(C)C2)C=C3,LYPPJWKAZYHAPQ-UHFFFAOYSA-N
-980AC06A9CA39449_1A2574334C876E32_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl,DQFBZSJJGROZOS-UHFFFAOYSA-N
-99598DAE72BD9035_3FF763178AB11DD5_6041_DP,CC1=C(C=CC(=C1)CN=C=O)NCCCCC(C(NN)=O)(C)C,PFYLAHRNCUAMDX-UHFFFAOYSA-N
-996DDAB278E638E8_91402D47437B7EC2_6038_UN,CO[C@@H]5[C@H](SC(=O)C2=C1C=CC=CC1=NC(=C2)C4=NC3=C(C=CC=C3)S4)COC6=C5C=CC=C6,ZFQKPIRFBOMZAG-RPBOFIJWSA-N
-997A78C39C2CD4D2_25C14C61AC2B6B51_6038_UN,CN1C(C(N(C1=O)CCCNC(C2=C(NC(OCC)=O)SC=N2)=O)=O)=O,LMAPQEYKBCFADV-UHFFFAOYSA-N
-99A0FB6F9A5143E0_944E890770B25F72_6038_UN,CN1C(C(N(C1=O)CCCNC([C@@]2(C[C@H](C(OCC)=O)C2)F)=O)=O)=O,YFQGMQKFXQGJQI-AZKDTHOKSA-N
-9B09863E01C8D209_315138A4302118F2_6029_UN,N(CCC1CC1)[S](C2=CC(=CC(=C2)CC(C)O)F)(=O)=O,LHWVEUQSAMWFQD-UHFFFAOYSA-N
-9B27C39B2653BDBC_6C495335C97EEEA7_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C(=C2)Br)F)Br,NEVRAGZJDLIJLN-UHFFFAOYSA-N
-9BB661293AD4713C_C3ED2EB8BA43B43E_6041_UN,NC(=O)NC1=CC(=C(C=C1)NCCCC(N(C)C)=O)F,YDPSCDMXHYBVCU-UHFFFAOYSA-N
-9BD0DFBD4F30C1C4_41EAB68FBD3554B5_6038_UN,N(C1=CC(=C(C=C1)C(=O)N2CCOCC2)F)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,LUFKYOYIDWYSJA-UHFFFAOYSA-N
-9C378933B3810C4B_BBFCC5D23C0AE00E_6038_UN,O(C1=CC=C(C=C1)N2CCC2=O)C(C4(C3=CC(=CC(=C3)C)C)CC4)=O,CJAQOLBWNHXFOE-UHFFFAOYSA-N
-9E7566DD66F052B4_9AE41EB2C467E040_6038_UN,C[C@@H](NC(=O)C1=CC=C(C=C1)C2=C(C=CC=C2)C#N)CC3=C[N](C)N=N3,VPVDDTGQQZSHJN-CQSZACIVSA-N
-9ECFEAAB2DD05F25_C744EC092F562FA0_6038_DP,N(C1=C(C=CC(=C1)C2=N[NH]C=N2)F)C(C4ON=C(C3CNC3)C4)=O,MFNOBUMOYFAZSY-UHFFFAOYSA-N
-A10D04B3B8C23AD1_C4CE88B6C275C840_6041_DP,C1(=CC=C(C=C1)CN=C=O)NCCCCC(C(NN)=O)(C)C,KRWZNSWSAXFSMT-UHFFFAOYSA-N
-A45E6128E10F3B09_F39C4D4A67A0AA1A_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2N[C@H]4C3=CC=CC(=C3OCC4)C,DRUXITADNUFNSB-QGZVFWFLSA-N
-A5C5ADDDCD7D0843_D7F820673BCF36D6_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=CC(=C2)OC3=CC=CC(=C3)F,UKUQHIBFXCERDW-UHFFFAOYSA-N
-A5F2D0D1FA4F7F28_C66CA60185CE0065_6038_UN,CCOC(=O)C[C@@H](CNC(=O)C1=C[NH]N=C1[N](=O)=O)CC(C)C,QSKSORTXROAUEV-JTQLQIEISA-N
-A631006E0ADB5657_A29DC5B531E1F816_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C2=C(C(=CC=C2)F)C3CC3,ORYPYLPRUBPXLT-UHFFFAOYSA-N
-A792E445288C3224_B1E06FEBC5E7BFB9_6038_UN,N(C1=C(C=CC=C1)C#N)C(C(CC)SC2=NC(=N[NH]2)N)=O,MILJKHGQAOGRKX-UHFFFAOYSA-N
-A80B2009B2900782_29AD9056510D1D07_6035_UN,O(C(CC1=CC=C(C=C1)Br)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[S](=O)(=O)O,IMJBZWPIQCJIIA-UHFFFAOYSA-N
-A854A4371530A019_46E14B2DC257F903_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C(C)=CC(C)(C)C)=O,CDEXMVQYPLUZQF-UHFFFAOYSA-N
-AAC3C73DA0E20541_4E844B2046385F98_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CC=C(C)C=C5)(=O)=O,MCLHGRINRRSOAU-UHFFFAOYSA-N
-AC5E2EE47785B3F1_98FB2491D655DEDE_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=C([S](C)(=O)=O)C=CN=C4)N5,XVPDWRJEVBTBMZ-UHFFFAOYSA-N
-ADD42823A13A6E51_4FD320F981808872_6029_UN,CN(CC=CC1=CC=CC=C1)[S](C3=CC=C([C@@H]2C[C@H]2[S](Cl)(=O)=O)C=C3)(=O)=O,VSKULFMRRKMIPP-RBUKOAKNSA-N
-AEE7108D6B26C337_CCDDB8DC1CD4B29B_6038_UN,CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(CCCC3(C)N=N3)=O,CCAPKVWKBKZVAZ-UHFFFAOYSA-N
-AF4BE1F921DA67DC_03DC6834DA8A5FC9_6028_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=C(C=CC(=C3)Cl)Br)(=O)=O,DAFRJHYZABOMQJ-AULYBMBSSA-N
-AF7A17BB897EC6ED_97CA8258430C14C3_6029_DP,N(N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)[S](C5=CC=C(C4(CNC4)O)C=C5)(=O)=O,BEGKUSZSWGKVPF-UHFFFAOYSA-N
-B1010EE1DB51D7F0_D66A8A445478A02B_6039_UN,CN2C(=C(COCC(NCC1=C([N](=O)=O)C=CC=C1)=O)C[N]3N=NN=C23)C,CHNGHNRYIZZTJG-UHFFFAOYSA-N
-B20E2A16B2AFED45_435469AA3C86830F_6038_DP,CCN(CC(=O)O)C1CC(NC(C(N(C(C)C)O)=O)=O)C1,DTLWTCYBAOSWLU-UHFFFAOYSA-N
-B3BB84BDA4D5D49E_EBA731C8A27894F5_6038_UN,N(CC1=CC=C(O1)[N](=O)=O)C(C2(C(N(C(C)C)C)=O)CC2)=O,KVQDDQJYPQYLQM-UHFFFAOYSA-N
-B4B99868F8E5A533_2D4898AB51B810A5_6038_DP,C[C@@H](NC(C2=C[N](C1CCNC1)N=N2)=O)C3=CC=C(C=C3)C4=CC=CC=C4,GWNCTRSMTUPYES-NYRJJRHWSA-N
-B5B828962F2F57B5_6A01EEE5A14E07C0_6038_UN,CCCC(NC(C1=CC(=C(OCOC)C=C1[N](=O)=O)OC)=O)C2=NN=N[NH]2,UMDADKIFHJTBNR-UHFFFAOYSA-N
-B74C325E32595CCC_923C60CE4CD5F289_6038_UN,CC(NC(=O)C1=CC=C(C=C1)C#C)C3=NC2=C(C=CC=C2)[N]3C,KKMZJHFYDOTFMW-UHFFFAOYSA-N
-B971EBDB16F369EC_120D76BDCF498B54_6028_UN,N(CC1(C(C1)(F)F)C2=CC=CC=C2)[S](C3=CC=C(C=C3)C4CCCCC4)(=O)=O,BGNBABCQVJUACB-UHFFFAOYSA-N
-B9A0ACB88E9370F6_5F81D9359FF4CBD8_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NN=C(Cl)C=C5)(=O)=O,IMQBISXSOIRFLR-UHFFFAOYSA-N
-BA4FAEBB8F4FB3C2_63278A85EDF02170_6026_UN,CC(C)CCC1=CC=C(C=C1)[S](=O)(=O)N4CC([N]2C3=C(N=C2CC)C=CC=C3)CCC4,SDLGSQOWQWIVHI-UHFFFAOYSA-N
-BA840B5B911A5D3E_0FC167AA82B5420C_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=C(C=CC=C3F)N4CCCC4,WDGADONOSZLHOV-UHFFFAOYSA-N
-BD3C041BD8307BDE_2F5EC0089C12194A_6026_UN,ClC2=C1OCCCOC1=CC(=C2)[S](=O)(=O)N(CC3=C(F)C=CC(=C3)Br)CC=C,YNDFQRAIVLIURU-UHFFFAOYSA-N
-BD445E07A2D772C2_050B2DE4C81A6A11_6038_UN,N(CC1C2=C(B(O1)O)C=CC=C2)C(C4=C(C)N(C)C3=NN=N[N]3C4C)=O,OYQSKMVAOGAQCN-UHFFFAOYSA-N
-BFB86C19F80DF690_369933B34FBE42CD_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(CC(CC)(C)C)=O,SMJRVYLJCQUSCP-UHFFFAOYSA-N
-C1A86CE5F2C440DE_686315F559B917F5_6038_UN,CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(C3=C(C)N=C(N=C3C)C4CC4)=O,HBIDKSUZHGHESV-UHFFFAOYSA-N
-C1ED9A8A3F01DB7D_2840C938ABAEE0AF_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C2=C(C=CC=C2F)C3CC3,VYVXBVAFCIIJKP-UHFFFAOYSA-N
-C22CAA696A279287_6AEC07094A78D3CB_2201_UN,C[Si](C)(C)C#CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=NC=C3,HAMGAQQDOCCOKU-UHFFFAOYSA-N
-C3DE64144E78DA25_3402C529F8CA8193_6038_UN,C[N]2C=C(NC(C1=C(C(N(C)C)=O)C=CC=C1)=O)C(=N2)C(=O)N3CCC3,DNJMIYBJSZODAC-UHFFFAOYSA-N
-C40FEE03E173CA90_EF4DFCBF56F955A5_6029_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)OC(F)(F)F)[S](C3=CC(=CC=C3)C=C)(=O)=O,AXXIKMQIRDDTDK-DLBZAZTESA-N
-C5321DDEAF1F24F0_028F463FBB88C6CC_6026_UN,[S](=O)(=O)(C1=CC(=CC=C1)C2CC2)NCC3(CC3)SC4=CC=CC=C4,ALPYPKFCFLLESL-UHFFFAOYSA-N
-C59634B2F812E7D3_97907529F00D6A63_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)I)N2N(C)C(C(C(=C2C)C)=C3N=NN=N3)=O,WGZXLTWCUQGBHG-UHFFFAOYSA-N
-C5A3769BF4A92D03_9ADEC62A9C1E6482_6029_UN,N(C2(CC1=CC=C(C=C1)Cl)CCCC2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,RUSJLPNVWGRBQE-UHFFFAOYSA-N
-C5C636F63A9F185E_629CFDB01ADB58F8_6034_UN,CC(=O)C1=C(C)N(C(=C1C)C(=O)CCl)CC2=NC3=C([N]2CCCCC)C=CC=C3,ZDUUCGYIXAWGBA-UHFFFAOYSA-N
-C6909FF9D8215F6B_088680337A136C24_6041_UN,C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)NCC4C(OCC4)=O,WOAWSFCUOJRFCZ-UHFFFAOYSA-N
-C90EF572244EC3B3_049ED1B31E7BBBD6_6028_UN,N([C@H]1[C@@H](C1)C2=CC=C(C=C2)OC(F)(F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,FFNMYSBOUBOCLK-SMDDNHRTSA-N
-CA2DFBAA98FE6794_8437B8939D234237_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(C3=N[NH]C(=N3)C(CC)C)C,JAPVAAOEJJHBMV-UHFFFAOYSA-N
-CB24F8C90BE91E5D_05C7AD9946A8779A_6031_UN,CC(CC(=O)OCC2=NC1=C(C=C(C=C1)Br)S2)C(F)(F)C(F)(F)F,NITUITVHIHKUDQ-UHFFFAOYSA-N
-CC22FCFCE40E43EC_7B950689E1BDA887_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=C(C=CC=C3)C4CO4)(=O)=O)C,WZEFWSYKYNDTRD-UHFFFAOYSA-N
-CE2A20C9DEB6879A_6832FB92655D9741_6026_UN,F[S](F)(F)(F)(F)C1=CC(=CC=C1)[S](=O)(=O)N[C@H]2[C@@H](C2)C3=CC=C(C=C3)C(F)(F)F,YDPFGAXARVBRLL-LSDHHAIUSA-N
-CF03587C339944D0_B0550D196C6C8205_6029_UN,N([C@@H]1C[C@@H](C1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,RLMRZXASJUBFHI-HDICACEKSA-N
-CF86CE33A8531846_B5069DED09E5DCEC_6041_UN,F[S](=O)(=O)C1=NC=C(C=N1)N[C@H]3C2=C(C=CC(=C2OCC3)C)C,HLTDDNSQKLSECL-GFCCVEGCSA-N
-CFAF9885522A8C97_89778780884EE2A6_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=CC(=CC=C3)C=CI)(=O)=O,WTYGPBNWOGNXNJ-WKILWMFISA-N
-CFD31D5532F4E177_5F39F9AB3932E40A_6038_UN,CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(C3(C(CC)=O)CC3)=O,XDDQHZSOFQVUDI-UHFFFAOYSA-N
-CFED531B198AADB8_F561F510EBA3EAFD_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NC(CC3=CSC(=C3)C#N)C(=O)O,NSCIXLTUZJOVCM-UHFFFAOYSA-N
-D175229DDFB9E12B_A12EE8E2C5D91FD7_6038_UN,C[C@H]1OC4=C([C@@H](C1)NC(=O)C2=CN=C(C=C2)C3=NN=N[NH]3)C=CC=C4,JODYBZBHOLCVAU-QMTHXVAHSA-N
-D43989CBCA96A4F2_E81116F1E86F8C3C_6041_UN,C[S](=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC4C3=C(C=C(OC)C=C3)OCC4,MXDPICKIYFFYSB-UHFFFAOYSA-N
-D592AA9BA152C252_C460899510A142F6_6041_DP,CC(C)CC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,AEILIIPFVDRWHT-UHFFFAOYSA-N
-D713D1C8CF3044CC_CC30E5F6C7D3868B_6029_UN,N(C1=C(C=C(C=C1)F)OC2CCOCC2)[S](C4=CC3=C(O)N=CN=C3C=C4F)(=O)=O,OPVMXCXLQQIFAB-UHFFFAOYSA-N
-D755D635A2C456CD_B32442F8C07F03BA_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC=C(C=C2)[S](=O)(=O)Cl,ILEVEAKFLVNUHI-UHFFFAOYSA-N
-DA7672EC8F2EC1A6_CFE54A05FD6208DC_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCC(CC)C)=O,XMGAVAKNNLOEOI-UHFFFAOYSA-N
-DBB0BF7913459A0F_F4997331F16AD131_6026_UN,O=[N](=O)C1=CN=C(C=C1)[S](=O)(=O)N5CCN(C3=NC2=C(C=C(Cl)C=C2)C(=N3)C4=CC=CC=C4)CC5,OZYZYIPZQCCZMH-UHFFFAOYSA-N
-DCA728F04F9D1546_D6DA162B52F0B47B_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3C)N4CCN(C(C)=O)C4=O,KSVYJRFAZARCPD-UHFFFAOYSA-N
-DD7A9C9E9B8BA734_FC55910529635B82_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCCC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,NWIPNCHAUOWAMI-UHFFFAOYSA-N
-DE2589BC9B25D6FD_38D63B93B709DAB5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CC3)CC4=CC=CC=C4,QBIZETRTHMLHKK-UHFFFAOYSA-N
-DF1D1180DC6EEA48_874D4FE3BB272FB7_6038_UN,NC(=O)C1=C(C=CC=C1)NC(=O)C2=C(C3=C(N=C2)C=CC=C3)N4CCCC4,GZNKIDWYQGCWQD-UHFFFAOYSA-N
-E31416D820350E52_31AC59D124FBD73F_6038_UN,CN2CCC(C)(COC(C1=C(CCN(C)C)C=CC=C1)=O)C2=O,JSUKZQWZDLWDQA-UHFFFAOYSA-N
-E4022F0FB50E640D_625CB2398C0563D1_6035_UN,O(C1(CCC1)C2=C(C=CC=C2)Cl)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,HFZJHTYBGSRHAN-UHFFFAOYSA-N
-E4326A6A4172EED5_88BC52EFFB04ECF5_6029_UN,OC1(CN(C1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=NC=CC=C4,RJBUALPSDJXORB-UHFFFAOYSA-N
-E45446943CF07E38_359BD2A8FDB5DE39_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC(=CC(=C2)Cl)Cl)CC3=C([S](C)(=O)=O)C=CC=C3,IAEMYNDNKCCVCI-UHFFFAOYSA-N
-E5DC8CE185339413_64CF852099AEF2EC_6026_DP,N5CCCC1=C(C=CC(=C1)[S](=O)(=O)N2C(SC=C2C3=CC=C(F)C=C3)=C4N=NC=N4)C5,VJMRGIUFEJSSNM-UHFFFAOYSA-N
-E7132A72908E7AD6_27DEDA3F4B2A9B85_6038_UN,CN1C(C(N(C1=O)CCCNC([C@]2(C[C@H](C(OCC)=O)C2)F)=O)=O)=O,YFQGMQKFXQGJQI-DXPFQBAHSA-N
-E7917AAFEB30C17A_705EA053DF856C52_6038_UN,N(C1=CC(=C(C=C1)F)N2CCCC2=O)C(C3=N[NH]C(=C3)C4=C(C=C(C)C=C4)C)=O,JOSKXMLJVMLLCX-UHFFFAOYSA-N
-E8451DACC92509F6_43AFA7565349CDCA_6035_UN,O(C1(CCC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,FCUTUJJMWUHZAF-UHFFFAOYSA-N
-E8CE1376248A24E2_052B6329C996532F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(I)[NH]5)(=O)=O,RFSJUINECPGOQZ-UHFFFAOYSA-N
-E974D8AC00036596_902F060B19804B23_6038_UN,CC(C)(C)C1=NN=C(CNC(C(CCN(C)C)=C)=O)S1,YYETVGMXQURESN-UHFFFAOYSA-N
-EA0124A887566C2D_F4893889388D9859_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=N[N]1C2=CC=C(CCCC)C=C2)(=O)=O,CMQSCJNHXUBZJU-UHFFFAOYSA-N
-EB01D500DA5DD893_079DCD9CCE7AA554_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(COC3=C(C=CC=C3)Cl)[N]4C5CC5)(=O)=O,MKEFGNRGVWCLKN-UHFFFAOYSA-N
-EBF7708D529D9FA9_1997F60C4AF57335_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C(N(CCC)C(C)C)=O)C=CC=C2)C,NEFWNGHHTBSGSD-UHFFFAOYSA-N
-EC91A945DA091A4C_1E44C18ED4FE9179_6035_UN,C[Si](C)(C)C#CCOC1=CC=C(C=C1)C2=NC3=C(N=C2)C=CC=C3,KFRBOISVUPPGSN-UHFFFAOYSA-N
-ECBFB2DBD82546FA_93F46455F3C8376A_6038_DP,CCCCOC(=O)C(NC(CC(C(O)=O)=C)=O)CC1=CSC=C1,KYJYYKQFTFXQAL-UHFFFAOYSA-N
-EF632A8BE0C0C342_EF82998A0B328113_6038_UN,O(C(CF)C1=CC=C(C=C1)C#N)C(C(C(CC)C)C)=O,MZTVWKBWGXDOJD-UHFFFAOYSA-N
-F151D5ACE06DBFEC_CF87A5B4EE639DEA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=C(C=C5)C6CC6)(=O)=O,YWZVKRMNPGZJQM-UHFFFAOYSA-N
-F20E7FBE5BCC7400_BFE07A94D4EB1585_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,TUNVSVGJCFOEFM-AMIZOPFISA-N
-F29E2327858D2672_E675B7CB51F04145_6029_UN,N(C(CC1CC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,MRHQGIQINQHKPH-UHFFFAOYSA-N
-F35166C49D59D9FE_0B0F80460B9B59F0_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C=C2)Br)OC(F)(F)F,FLTQTLZFWVYOKR-UHFFFAOYSA-N
-F48E7B8672751295_682CBF1A450DBA2B_6039_UN,CCOC(=O)N(C)CCOCCC(NC1=C(C(N)=O)C=CS1)=O,FIZZXMKSQZDWJC-UHFFFAOYSA-N
-F52351A751F0801D_0C179AD96052BB97_6038_UN,CCN(C)C1=C(C=C(C=C1)CNC(CCC2(C)N=N2)=O)F,KKORJYDBJAAKLE-UHFFFAOYSA-N
-F57B46DE77B1D021_E50E358C94D4A3B9_6038_DP,CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OC(C3=N[NH]C4=C3CNC4(C)C)=O,RBMXEHSYDMRWDW-UHFFFAOYSA-N
-F5A399FAF553A768_B1FB492E6946BABE_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,NGLXVVUGOFLFIX-UHFFFAOYSA-N
-F65AC0D0A4BBBBB5_E881B488E8A6EED0_6035_UN,CC(OC1=C(C#C[Si](C)(C)C)C=CC=C1)CC3=NC2=C(C=CC=C2)S3,XXYUWHCTBOMERK-UHFFFAOYSA-N
-F8E4A84971759A97_9BDF58D8F7148D36_6029_UN,CC1=C(C=CC=C1)C2(CC2)N[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,VSIBYQJIRGIMFI-UHFFFAOYSA-N
-F9B6F40DBDA43F70_B1936156C608C79A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC(=NC=C5)C6CCC6)(=O)=O,TUEPCMYRJVGTIG-UHFFFAOYSA-N
-F9E68D4A99F59F1A_07BD844E0D72D38F_6029_UN,N(C1C(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,DAQJGOFHRLVFJE-UHFFFAOYSA-N
-FC0F68F86A494A31_DFA63F7BA58ECAF0_6038_UN,CCC(CC)C(CNC(CC1=NN=C(N)[NH]1)=O)N(C)C,YBCYEISMLLBMKM-UHFFFAOYSA-N
-FD3F643FD6CCFCEE_0CA4401CF5E6577B_6041_UN,O=[N](=O)C1=C[NH]C(=N1)N[C@H](C(N(OC)C)=O)CCSC,JWJRGDJCXANWMD-ZETCQYMHSA-N
-FD3F643FD6CCFCEE_D853A65AABD346C8_6041_UN,O=[N](=O)C1=C[NH]C(=N1)N[C@H](C(N(OC)C)=O)CCSC,JWJRGDJCXANWMD-ZETCQYMHSA-N
-FE20C061604112DB_1F22CC09540F0360_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C=C(C(C)C)C)=O,SCBDPROKFBFRTK-UHFFFAOYSA-N
-FF5DE1157D89FF0D_5105A857FA527BF2_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=N[NH]C=C5C)(=O)=O,PYRYWZGCHLPQNO-UHFFFAOYSA-N
-rxn:1:40223:39424,COc1cccnc1C=CCn1cc(CN2C(=O)SC(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)nn1,RVXLATXMMOGHLX-UHFFFAOYSA-N
-rxn:1:40988:39258,CNC(=O)c1ccc(C=CCn2cc(CN3C(=O)SC(=Cc4ccc(C(=O)OC)cc4)C3=O)nn2)cc1,LSOLJYOQFCKZQH-UHFFFAOYSA-N
-rxn:1:41106:11166,COc1cc(C=CCn2cc(CN3C(=O)SC(=Cc4ccc(N(C)C)cc4)C3=O)nn2)cc(C(=O)O)c1,SWHAGWLBPMFUHT-UHFFFAOYSA-N
-rxn:1:41857:39258,COC(=O)c1ccc(C=C2SC(=O)N(Cc3cn(CC(=O)Nc4ccc(OC)c(Cl)c4)nn3)C2=O)cc1,KOERZWABBCZCLZ-UHFFFAOYSA-N
-rxn:1:42599:1307,CCCC1(Cn2cc(CN3C(=O)SC(=Cc4ccc(OC(C)C)cc4)C3=O)nn2)CCNC1=O,KTXZPANEYAOHKN-UHFFFAOYSA-N
-rxn:1:46080:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CCC=Cc4ccc(C(C)=O)nc4)nn3)C2=O)c1,FGOTVLSUMSERJF-UHFFFAOYSA-N
-rxn:1:49398:1307,CC(C)Oc1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(C)(C)C(=O)O4)nn3)C2=O)cc1,NFAGKLMAJJLDTG-UHFFFAOYSA-N
-rxn:1:49477:5652,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(C4(Oc5cccc([N+](=O)[O-])c5)CCCCC4)nn3)CC2)c1,UWKOLUSMMMOUAJ-UHFFFAOYSA-N
-rxn:1:50435:4719,CC1Oc2ccc(C(=O)CCc3cn(CC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)cc2N(C)C1=O,XBZUYXGFTKVHBM-UHFFFAOYSA-N
-rxn:1:50917:32371,CC(=O)Nc1cccc(C2C(Cn3cc(C(C)N4CCCN(C(C)=O)CC4)nn3)C2(F)F)c1,ZOCORPQOGPLXPL-UHFFFAOYSA-N
-rxn:1:61211:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(C5CN(C(=O)Cc6ccccc6Cl)C5)nn4)cc(=O)c3c2)CC1,DHOZCPBBGQRHIX-UHFFFAOYSA-N
-rxn:1:61477:39424,COc1ccc(N2CCN(C(=O)Cn3cc(CN4C(=O)SC(=Cc5cc([N+](=O)[O-])cc(OC)c5O)C4=O)nn3)CC2)cc1,WTMFXZNRMNUMOQ-UHFFFAOYSA-N
-rxn:1:61978:33381,COc1ccc(C=C2SC(=O)N(Cc3cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn3)C2=O)cc1I,UCDXZYOXXUSQDP-UHFFFAOYSA-N
-rxn:1:62961:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4ccc(F)cc4C(C)=O)C3)nn2)CC1,PFUXDYWAKFVMJS-UHFFFAOYSA-N
-rxn:1:64710:24965,CCNC(=O)c1ccc(C)c(N2CC(c3cn(CC4CC(=O)N(c5ccc(Cl)nc5)C4)nn3)CC2=O)c1,OXMFFCNSPKDBKB-UHFFFAOYSA-N
-rxn:2:122527:160422,CC(NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCCC2)cc1,HFTGSJVSIAUEMQ-UHFFFAOYSA-N
-rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
-rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
-rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
-032DB66DC708C0AC_ED6394D3E55D4499_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C(C)OC(=C3)C(OC)=O,FTNNEKKVLLBKCD-UHFFFAOYSA-N
-054E72643C2816BA_E8EC81692DA8B5BD_6038_UN,CC(=O)C3=C(OC(CCCC1(C)N=N1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,KBQMJSWHZODHNJ-UHFFFAOYSA-N
-05AB72A7D7B86C81_24D06394EBC47DF7_7013_UN,N2=C(C=CC1=C(C=C(C)C=C1C)C)[N](C3=C2C=CC=C3)C4CCC4,MVHYSMKCDTUAQQ-UHFFFAOYSA-N
-05D00E1529C5E5FE_275A4D69F5BBBA13_6041_UN,CC(C)C1=NC(=NC(=N1)NC2CCC(C)(C)C=C2)N(C)C,GPFHHPAAHWYRNJ-UHFFFAOYSA-N
-068E0F985B8B424C_FFE9A9A40C580C8D_6038_UN,CN1C(NC(C(=C1)CNC(C2=C(NC(OCC)=O)SC=N2)=O)=O)=O,KNXZXOAXFBKCGW-UHFFFAOYSA-N
-06AC1B2BF631E170_5F0F679EC4BA7D2E_6003_UN,O(CC(=O)NCC(F)(F)F)C2=CC=C(C(C(C)N1C(=O)CCC1=O)=O)C=C2,XVSVZOGVDRUFOD-UHFFFAOYSA-N
-086488867BCA147C_46DBAFEA6A3F3ADC_6041_UN,CC1=NC(=NC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)C,ZDXSMLWHTFCDAR-AWEZNQCLSA-N
-0DDC5127C6E09BE7_5CA202E7BCDC02CA_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@H](CC(=O)O)C(=O)O)C=CC=C2,QYQLOJRCEYPWIA-SNVBAGLBSA-N
-0F3749B505B7042E_155DC1177931EC8B_7019_UN,C(C1COC2=C1C=CC=C2)=CC3=C(C=C(C)C=C3C)C,DVAGSOUOXAMHGQ-UHFFFAOYSA-N
-11A2D9B255387484_C40E63A80FA54922_6038_UN,CCC(C)C(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CN(C)C,OONVLVKMNRLPRU-UHFFFAOYSA-N
-143177C889FE4D06_C68413BD541155F2_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3CN(CC3C)C)C,TUAHUFXNXBQHFI-UHFFFAOYSA-N
-14528EE11177CA57_A76FC52CE5F66420_6029_UN,N(CC(=O)CCC(=O)O)[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O,SXAYVMHICXPCMY-UHFFFAOYSA-N
-159C51CE6C5B29CC_552FBE94B4C2C5C2_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC(=CC=N2)I)(=O)=O,BIRQGWQOOPFHDE-UHFFFAOYSA-N
-15D806931F05B74F_5E5DE72E37BC10EC_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCCC(N(CC)CC)=O,ZOFZATOOTJYTPT-UHFFFAOYSA-N
-161E14DC3F5DBAD5_2849352024E8269C_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=CC=C(C=C2)C3NCCC3)C4=C(C=C(C=C4)F)C,XJDFXFNRZAMWCK-IWPPFLRJSA-N
-1627AD9F24D5E192_7288D9355F142F44_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC4=C(S3)[NH]C(=C4)C(O)=O)(=O)=O,YTTWOIOFOSSOTM-UHFFFAOYSA-N
-16B790A0CFD03559_30C5E084A6789BEB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,IZVYUJZXYCWIJG-UHFFFAOYSA-N
-176DDD4196EEECE1_ACA474BC2C47844C_6041_UN,C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)NCC3=CN=C(N(C)C)N=C3,JOANNRVTTSKBFI-UHFFFAOYSA-N
-198A4D8238A2CDC7_2805E44ADF7A9DDC_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4)Cl,PRHHKAJDFAUHDO-UHFFFAOYSA-N
-198B5CF78CB1D5BD_2794A00F0548C60C_6029_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C2=NC(=N[NH]2)C3CC3)(=O)=O,PPUTVBLMPBMLRY-NSHDSACASA-N
-1996E539D47971A1_465F36D382C18DF9_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)F)F)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,ASKZYPURACYOEF-GHTZIAJQSA-N
-19AA482951A37D06_5C8C0631742EF3A8_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(C3C(F)(C3)F)C4,VFNTTXXCYKJWRH-UHFFFAOYSA-N
-1DA0C96043CBBCD5_201EBB85FD4867A9_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,BLFREPPUBRYBTN-UHFFFAOYSA-N
-1E4FFEF25F9C7C8E_C0E1A9172314672E_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N(C2=C(C=C(F)C=C2)I)C3CC3,UYMSVHGGTJMRSN-UHFFFAOYSA-N
-1E7B9F4615306DC3_8F6AD0F04EFAA002_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2Cl)(=O)=O,ZPMGRIGRFVRMGM-UHFFFAOYSA-N
-1F3D1BD984FBADD7_38F0FDBE22585581_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC4=C(N3CCC(C)CC3)C=CC(=C4)F)C,LWTJNSKFFNXZRU-UHFFFAOYSA-N
-1FB993B5A7E020BD_AF84A9BC6C5B570A_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C3(CCN(C)C)CC3)=O,UTPZVVDHOZPKOX-UHFFFAOYSA-N
-2120AF078E320C07_D0301FE96F423874_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Cl)F)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,BSDIAAZPFLSGHC-GHTZIAJQSA-N
-258E593BB3221743_2C3CEA6E18D02A1F_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3CCC#C[Si](C)(C)C,WPYDWBOCDHGLIL-UHFFFAOYSA-N
-265C9D72C3D5C672_B616D6C604233ED4_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3CCC(=CC3C)C)Br,YLKWTLXZRZUBPS-UHFFFAOYSA-N
-2708C30291225CD8_4880540AF2086C8B_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC4C3=CC=CC(=C3OCC4)CC)C,HYNBCIHVQGKLCF-UHFFFAOYSA-N
-28FAEAA7D46A499C_09F56422FB64F8AA_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C3(C(N(C(C)C)C)=O)CC3)=O,WJCIVONTIJTNQI-UHFFFAOYSA-N
-2947AAC7833EDCAA_EB44F80C587C1AD6_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)C(C3=C(C=C(N(C)C)C=C3)F)=O,LCOFXRJYLRKEIV-UHFFFAOYSA-N
-29AF81433D0AF43F_140F0877EFBEA445_7019_DP,N3CCC1=C(C=CC=C1C=CC2=C(C)C=CC=C2C)C3,WGRYHVGAULAGLR-UHFFFAOYSA-N
-29D9595026C58496_5562FB69ECFF381C_6038_UN,CC(C)[N]1C(=NN=C1)CCNC(C(CCN(C)C)=C)=O,POMUDUWNFKMRLK-UHFFFAOYSA-N
-2B19441268A987AD_93584F890BEEBB9A_6038_UN,CC(NC(C1=NC(=NC(=N1)N(C)C)N)=O)C2=CCN(C)CC2,UVKOMOOZAACLOH-UHFFFAOYSA-N
-2CE64A735EE76367_AFC986FCFADFC4B9_6026_UN,ClC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CC(C2=C(F)C=CC=C2)C3,NVIGZBTURJTNPQ-UHFFFAOYSA-N
-2E0C5BBCC1B4A500_9DC0C8DD3E489428_6041_UN,C1(=CC=C(C=C1)C(=O)CC2CC2)NCC3=C[N](CCC)N=N3,MOINMJFCXBJOHW-UHFFFAOYSA-N
-2F6590459B3B04D8_4293BEC37E12FB6C_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3N(CCN(C)C3)CC4=CC=CC=C4,XZYZNALYNZDFSJ-UHFFFAOYSA-N
-2F9F21E8353E27D1_9E93B8235280E7F2_6038_UN,CC(=O)N2CCN(CCNC(C1=CN=C(N(C)C)C=C1)=O)CC2,BWQZNSBKZMQHHL-UHFFFAOYSA-N
-3048A085A0B4225D_937E382C71F7C534_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NCC4=CC=C(N(C)C)C=C4,OTSAINWCQUNOIL-UHFFFAOYSA-N
-30EF09BCB2DF90D5_7DBEE40273E4A41B_6029_UN,C[N]1C(=C(Cl)N=C1N2CCN(CC2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O)C#N,UXXSDOFKJIEPBW-UHFFFAOYSA-N
-32B1147247162223_59B98DA16F61D465_6041_UN,OB(O)C1=CC(=C(C=C1)NC(CCC2=NN=N[NH]2)C(=O)O)[N](=O)=O,SDYZQRGTMJOUCN-UHFFFAOYSA-N
-334DE457C4A2108A_0C7BAE3A71C02C3A_6038_UN,CC(=O)C3=C(OC(CCCN1C(N(C)CC1=O)=N)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,FOMSSXSNAAZBJV-UHFFFAOYSA-N
-3485A97ADD70BBA8_6847B76FB97EC87E_6034_UN,NN1CC(=O)C(=C1N)C3=NC2=C(C=CC=C2)N3CC(CCC)=O,ORYYNUYDERXNSI-UHFFFAOYSA-N
-354F1D7966FFC665_E1E7CAFAC85E207E_2875_UN,OC(C[N]1N=NC(=C1)C(NCC)=O)CC2=CC(=CC=C2)F,WOYVWHLLBFIFBR-UHFFFAOYSA-N
-390413CFDBAF45FE_8A4E70260BED1BED_6028_UN,N(CCC1=CC(=CC=C1)C#N)[S](C2=CC=C(F)C=C2)(=O)=O,XNAGCDMLXJSXBB-UHFFFAOYSA-N
-3920A32C7E4A1676_808DC64DFDEBC0E1_6009_UN,C1(=CCOC1=O)C4(C2=C[NH]C3=C(CC)C=CC=C23)CCNCC4,DCPZQMOHAQETNX-UHFFFAOYSA-N
-393D2CFEAABDF8AB_5EA3A878094C0A9F_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(OC)C(=O)O,KVAMYPUEERXHGV-UHFFFAOYSA-N
-3990DEDADF497A5A_12343337B7399A28_6038_UN,COCC(NC(C1(C(N(C(C)C)C)=O)CC1)=O)COC,HPTAPPAOCUJMHU-UHFFFAOYSA-N
-3AA507771D961D2E_1BEB73C8AB884318_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC4C3=CC=CC(=C3OCC4)C)C,ILRWYYZACLEYPC-UHFFFAOYSA-N
-3CC81B918C4ACCCE_15C4B57C1276ED2D_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)Br)C4,VUQOTSIHPRRGLV-UHFFFAOYSA-N
-3F63F7CA88D3A399_96DBBCC1B3125058_6029_UN,N(OC(C1CC1)C(=O)O)[S](C2=NN=C([N](=O)=O)[NH]2)(=O)=O,DOGFZAIXBROIQI-UHFFFAOYSA-N
-415BC3E05FCCE513_3F841D58E8F1202E_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C(CCC)=O,KDQFEBAIBGZGRK-UHFFFAOYSA-N
-41DE53A861ECE29C_2D18034F263F645E_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NCC3=CN=C(N(C)C)C=C3,ZZHRUSHOIBTUHA-UHFFFAOYSA-N
-422416BAC2F6E2AA_C49731A37ED037BF_6041_UN,CC(C)C1=NC(=NC(=N1)NC3=CC=C(N2CC(C)(C)C2)C=C3)N(C)C,ZASALZPLUQGJAF-UHFFFAOYSA-N
-42664E053E6910FF_C89918CBE396311B_6038_UN,CC(C)CN(C)CCCNC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,UHBCZARUYUPTFG-UHFFFAOYSA-N
-46DF326C63C7F079_ED341B2C76FD3D0C_6038_UN,O(CC[N]1C=NC(=N1)[N](=O)=O)C(CCC(NC2=C(C(N)=O)C=CS2)=O)=O,ZLKGVGJBNCTEBM-UHFFFAOYSA-N
-49063D1F002F5C80_16947CF3DD1EE5B6_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(I)[NH]2)(=O)=O,YRVFSCWQEMMKCK-UHFFFAOYSA-N
-49BD93B98B5A6178_C060E3CC0A0C8507_6038_UN,N(C1=CC=C(C=C1)C(=N)Cl)C(C2=N[NH]C(=C2)C3(C)CC3)=O,UCASSMVKWCQNAG-UHFFFAOYSA-N
-49CFF7D95A8F716A_357C8FB30B5184D1_6038_UN,C[N]2C=C(NC(C1=CC=C(C(N(C)C)=O)C=C1)=O)C(=N2)C(=O)N3CCC3,ROIFFKHOILRHPC-UHFFFAOYSA-N
-4D7E485E1335C021_61B804BB0CA2030E_7019_UN,CC3CCC(C=CC2=CC=C(C1=CC(=CC(=C1)C)C)C=C2)C3,YIFWIIRVACMBQX-UHFFFAOYSA-N
-4F2F3042C4BD81E0_15C374C924BC843F_6038_UN,N(C1=C(C(=CC(=C1)C#N)F)Cl)C(C2=N[NH]C(=C2)CC)=O,JKPWFAVBJVDXSC-UHFFFAOYSA-N
-529998CB894BCC03_F9D61948D301677A_6034_UN,CNC2=C1N(C=NC1=NC=N2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,DBFKSOYRNHDBFC-UHFFFAOYSA-N
-533F17D0EBC69FBF_7737EDAF48BAB8FF_6038_UN,CC(NC(C1=N[NH]C(=C1)CCCCC)=O)CC2=C[NH]C3=C2C=CC(=C3)F,JHHWGDPEQNOOGH-UHFFFAOYSA-N
-550D044E90D55D44_BA893ABF4C244840_6038_UN,CC(OC(=O)C1=CC(=CC=C1)C2=N[NH]N=N2)CCCC#C[Si](C)(C)C,QVKNEUIOJABEDB-UHFFFAOYSA-N
-55598FB6174E975A_C1DED626D168EE13_6038_DP,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C2=CSC(=N2)N3CCNCC3)=O,BIVIMPUHQFQRES-UHFFFAOYSA-N
-56A0A875B7D83A14_6D60B35DD47EFFAC_6034_UN,NC3=NN=C(NC1COC2=C1C=CC=C2)N3CCCN(CC(N(C)C)=O)C,ZCWZLWGAUZAGJQ-UHFFFAOYSA-N
-577FC56060BE1E2B_3D66F70A3B5E4822_6029_UN,CCOC1=NC(=CC=C1)N2CCN(CC2)[S](C3=NC(=C([Si](C)(C)C)C=C3)F)(=O)=O,CKAHRSALAMCAAR-UHFFFAOYSA-N
-5916EB0A9AA45584_61849B3584060990_6041_UN,COC(=O)C2=C[N]1N=C(N=C1C=C2)NCC3=CC=CC(=C3)C(N(C)C)=O,FPUIOEADODMOBG-UHFFFAOYSA-N
-5A793674B305E021_BFA1834975043C43_6028_UN,N(CB(O)O)[S](C2=NN=C(C1=CC=C(OC)C=C1)[N]2CC(=C)C)(=O)=O,VPBJVYPUFHJVFQ-UHFFFAOYSA-N
-5A9432C7D92C1F31_2A97815510AA6865_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@H]3[C@@H](C3)C4=C(C=CC=C4F)Cl,VZBRZJJGYLVDME-YLJYHZDGSA-N
-5C96D4477C6C9DF6_C8ECF310D263F1AC_6038_UN,C[N]1C3=C(N=C1CCCNC(C2(CN(C)C)CC2)=O)C=C(C=C3)F,WYKPICHRHCSBSH-UHFFFAOYSA-N
-5CB76EDCBEDC7569_B38095D5A6C8C532_6003_UN,OC(=O)C3(OC2=CC=C(C(NC1=C(C(O)=O)SC=C1)=O)C=C2)COC3,QQYVAYBVMJNCJF-UHFFFAOYSA-N
-5D32BD7B6841D5F7_B7716F975927B21C_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NN=C(C#N)S2)(=O)=O,PQUWSMAALLKEMA-UHFFFAOYSA-N
-5E6761E751ED86A1_B177404E955515A1_7019_UN,CC3CCCC(C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)C3,DWNDNZABPPJJKJ-UHFFFAOYSA-N
-63B988EEA5084996_2FE88B4FD4DD1F6E_6038_UN,CC2=C(OC(CN(C)CCC1=CC=CC=C1)=O)C(=O)OC2,HWMJGACZGDCRQO-UHFFFAOYSA-N
-6627EB337490C6A7_5550055F3EF19E02_6041_UN,OC(=O)C2=C[N]1N=C(N=C1C=C2)NCCC3=CC=CC(=C3)C(N(C)C)=O,NQTFBEQTFWRJMU-UHFFFAOYSA-N
-7103C6E14EEFB4BE_245F7E64592E9526_6038_UN,C[Si](C)(C)C#CC(OC(=O)C2=C1N=N[NH]C1=CC(=C2)F)CC3=CC=CC=C3,ISVLFSXZGKHPJI-UHFFFAOYSA-N
-7334F0A49F43F660_5176E716D6CB1578_6028_UN,N(CCCB(O)O)[S](C1=NN=C([N]1CC(C)=C)C2=CC=NC=C2)(=O)=O,ALDDPXAYWGHVCD-UHFFFAOYSA-N
-74FF61CE34E264D1_F08AA26C6A3DBD00_6029_UN,N(CCOCCC(=O)O)[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O,GGDOMFLUKMVXGF-UHFFFAOYSA-N
-76537874E0177D73_55CBE895D74DE148_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=NC(=N[N]1C)[N](=O)=O)(=O)=O,HMRLHOWEUPZNQI-UHFFFAOYSA-N
-7662D62D8575B57B_BE63F695AA0D7FFC_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NCC2=CC=C(CN(C(C)C)C)C=C2,ZUUAIBSCUDCKAE-UHFFFAOYSA-N
-7925A9C5AEA1F6BE_EA00901B41DF08DA_6041_UN,CC(C)C(=O)CCC1=CC=C(S1)NCC2=NN=C(N(C)C)[NH]2,OMOJPFXEZGXXMQ-UHFFFAOYSA-N
-7C2757D25DAEE9E7_800CA2101828193F_6041_UN,CC1=C(C2=C(C(=C1)NC(CC(C)C)C#N)C=CC=N2)C,RABQIPFYTVUDEB-UHFFFAOYSA-N
-7C833450B1C4E69C_4A6084D57F3621C1_6041_UN,OC(=O)C1=C(C=CC(=C1)NC2=C(CC)C=CC3=C2C=CC=N3)N4CCOCC4,XLBQTWKGZPAABB-UHFFFAOYSA-N
-7CDD16573401E66F_964559DBAD0D9CF3_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,CSSSMJJQVLOYAT-UHFFFAOYSA-N
-7EF443117F92B490_3A37ED53D646967D_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NC3=CN=C(N(C)C)N=C3,UTVCBKWXTALRBY-UHFFFAOYSA-N
-7F4AE630827C06CE_C880E7AE83DF3933_2875_UN,O[C@@H]1CC[C@H]1[N]2N=NC(=C2)CCNC(C3=C(N)C=CC=C3)=O,AJSMHMDWNHAQKN-ZIAGYGMSSA-N
-800EF6CEAB6E7C2B_5F57154E65910CD4_2201_UN,CC2=NC1=CC=CC(=C1C(=C2C3CCCCO3)C4=CC=CC=C4)C,AMOIVSAPDKOFEM-UHFFFAOYSA-N
-80F6E96C5383D4AC_DAF0C152551538CE_6029_UN,N(C1=CC(=C(C=C1)F)O)[S](C2=CC=C(C=C2)C3=CCCCC3)(=O)=O,PUCCXPUOEXQIOM-UHFFFAOYSA-N
-81A9CD830921389B_0FBC8603107C0003_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3CCC(=CC3C)C)C,IZPOXINMTVENTD-UHFFFAOYSA-N
-846DC1C74E9C3CA9_9BEDFD2172FB46A4_6038_UN,CC1=CC(=CC=C1)N2CCC(NC(CCCCCN(C)C)=O)C2=O,ZYRAISSMVDEEFK-UHFFFAOYSA-N
-86848076BD03EDBB_C5319C48DF29457C_6038_UN,CC(=O)C3=C(OC(CCC1(C)N=N1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,IRGNBSAQCPKXKX-UHFFFAOYSA-N
-8CAF60B68C76AD44_D1FD19883AE9F7F3_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=CC(=CC=C2)OCC#C)(=O)=O,MZEHZLISDWWGND-UHFFFAOYSA-N
-8FFF8420FF1C850E_4257C1ADA2ECA295_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@H]3[C@@H](C3)C4=C(C=C(C=C4)Cl)Cl,KLQMSUHQVQWAJX-PZJWPPBQSA-N
-90BF57F88AE4C0A1_90F7552DD89D1584_6041_UN,CC1=C(C2=C(S1)N=C(C)N=C2NC3C4=C(OC3)C=CC=C4)C,YFGRRUDCPORLLU-UHFFFAOYSA-N
-934A0BB98B0FF62F_884509DE3D956BF9_6038_UN,CC1=C(C=CC=C1NC(CCN(CCCCC)C)=O)N2C(=O)CCC2=O,VVHXBYJHAJGECQ-UHFFFAOYSA-N
-93C5D6C9B6FD3870_8976E50594E7B2FF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)NCCC3=CN=C(C)C=C3,FEACBPQMTVOVGQ-UHFFFAOYSA-N
-9452BB2C0F13330E_CE63EE91A0C7D069_6041_UN,OC(=O)CCC2=NC1=C(C=CC(=C1)N[C@@H]([C@H](CC)C)CN(C)C)S2,VPHNBBFOHZLRPT-SWLSCSKDSA-N
-97634A042D714AA0_72E6F5C97521EA6D_6029_UN,IC1=CC=C(C=C1)C2=C[N](N=C2)[S](C3=C(N=CC=C3)C4(CC4)C#N)(=O)=O,XAKFQGRBWWNJRM-UHFFFAOYSA-N
-987D35B44728AD44_4FB407BD0D1E8E67_7019_UN,CC3CC(C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)C3,KKHCXAMWFHFNRI-UHFFFAOYSA-N
-98F794EEC4531058_0C372CAA0D2F09E3_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC4=CC(=C(N3C(C(C)C)CCC3)C=C4)F)C,OUNMYJXMJFRKPG-UHFFFAOYSA-N
-9942B1B8133EFCF9_C16F8464772ED61A_7019_UN,CC3CC(C)CC(C=CC2=C(C1=C(C=C(C)C=C1)C)C=CC=C2)C3,NGBYXKOPQVOFST-UHFFFAOYSA-N
-998FD18024F1DBD4_28B8389F1FC22EB1_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CCCC(N(C)C)=O)=O,KXRRZARWYJKZPW-UHFFFAOYSA-N
-99B029878E38C9D5_6A99543856106797_6035_UN,NCC2=NN=C(COC1=C(C(OC)=O)C=CC(=C1C#N)Br)[NH]2,ZTKFWXVMVDTTAJ-UHFFFAOYSA-N
-9E1E0A3E63E57E17_0AE531050EFDBFAC_7019_UN,C(C1COCO1)=CC3=C(C2=C(C=C(C)C=C2)C)C=CC=C3,AXRSUWBRIRVTEJ-UHFFFAOYSA-N
-A1095C3F4BB28133_0C04AD14C5CF401A_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C(C[S](C)(=O)=O)C=CC=C3,PADCCBBUIQKBRU-UHFFFAOYSA-N
-A55BCBF76F41A5C6_E532740A78D187C5_6035_UN,CCC1=CC(=O)OC1OC2=CC=NC(=N2)CC(C(OC)=O)N,HBWORNZHLMIMGN-UHFFFAOYSA-N
-A6A439A5504085D8_5536D55F83E49AD5_6038_UN,CN2C(=O)CC(OC(CCC(NC1=C(C(N)=O)C=CS1)=O)=O)C2=O,MJOTYVILPDXZIZ-UHFFFAOYSA-N
-A9C347FE5C2411F8_BAC6E2FDF38F8F6D_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(C(CC)N(C)C)O2)(=O)=O,ZENIRIMOGFCORC-UHFFFAOYSA-N
-AA46A15C8D42DAF1_0E873913C6E00206_6028_UN,N(CCC1=CC(=CC=C1)Cl)[S](C2=C(C=C(F)C=C2)F)(=O)=O,XNMFMAJXXZJUAF-UHFFFAOYSA-N
-AD5F76A6D16B6365_FB27B85A3B162487_6029_UN,ClC1=CC5=C(C=C1)C(=C2CCN(CC2)[S](C3=CN=C(C#C[Si](C)(C)C)C=C3)(=O)=O)C4=C(C=CC=N4)CC5,WFRXFROEFMIHLG-UHFFFAOYSA-N
-AF29D0903227B307_7AC4855934819F01_6041_UN,CC4(C)CC(=O)C1=C(C=CC(=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3)O4,OBTPNPFBNWQYHS-UHFFFAOYSA-N
-AF408074DEE37AC4_F9F5CF521925311C_6041_UN,FC2=C(C=C1C(=NC=NC1=C2)NCC4(C3=CC=C(C(C)(C)C)C=C3)CCC4)F,GSUCBLUVJSNYCF-UHFFFAOYSA-N
-B19C35D86AD1B4E4_0A8E97ECDFC75B53_6038_UN,N(CC1=NNC(=O)N1)C(C2(ON=C(C)C2)C3=CC=CC=C3)=O,WMFBRSOCAVVEDE-UHFFFAOYSA-N
-B2FCD0D6AF6FD7F9_1670A294BBD7A0A8_6041_UN,C1(=CC=C(C=C1)C(=O)C2CC2)NCCC3=C[N](CC)N=N3,RRWBTLFJCLHTEC-UHFFFAOYSA-N
-B4749F916F5AC539_1BE967E8227174C0_6038_UN,CC1=CC2=C(C(=C1)C)OCC[C@H]2NC(C4C(C3=N[NH]C(=N3)C)C4)=O,LBYHRCPSUXBMGB-SSDMNJCBSA-N
-B7236EA978D53484_14D284A984A05C41_6041_DP,OC(=O)C[N]1C=NC2=C1N=CN=C2NC3=CC=CC(=C3)C(N(CC)CC)=O,AAKCZKTXHVXPKI-UHFFFAOYSA-N
-B8A0F725C8575E1D_B2DB7C9AB463FAD8_6041_DP,C1(=N[NH]C(=N1)C2=CC=CC=C2)NC3(C(OC)=O)CNC3,KBKGWFFGJGYLEV-UHFFFAOYSA-N
-B8D63BDB46464747_C1B5941E31F670D8_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCCOC1=C2)Br)NC4=CC(=C(N3CCN(C)CC3)C=C4)C,YSOSYALNZBZSOU-UHFFFAOYSA-N
-B9A96F0DAD1C948D_75628EDFABCC3D10_6038_UN,C[N]2C=C(NC(C1=C(C=C(N(C)C)C=C1)F)=O)C(=N2)C(=O)N3CCC3,XVILQMOYZTWCEA-UHFFFAOYSA-N
-BDA603408626826D_6C942B2DA34529AE_6026_UN,CC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CC4,FIGJNRHGNFPFMV-UHFFFAOYSA-N
-BDDBEB847BA23C25_298F5D282E7AA5E7_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC[C@H](CC(OCCC)=O)CC(C)C,FJADNBKQFUODDC-ZDUSSCGKSA-N
-BE31F787A37F65D4_3F07796EDFD914DA_6041_UN,C1(=CC=C(C=C1)C2(CC2)N=C=O)NC(C#N)C3=CC=C(C=C3)F,BYYWAKIZVDPFLU-UHFFFAOYSA-N
-BF87272401A21229_A4D836032A535A3A_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(CCCN(C)C)=O,YGLSHKURFPLSJY-UHFFFAOYSA-N
-C5AC54D5B5431080_75915F2242FFE2B8_2875_UN,N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C3=CN=C(CO)C=C3,NGFIOCWJXGVMNP-UHFFFAOYSA-N
-C6DE2D57729F4063_DD4072BD7A68FB2C_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(F)C=CC=C3Cl)(=O)=O,POHHCYZLUPQKNC-AMIZOPFISA-N
-C6E90A9D1BA75D5D_29138EED123014C7_6029_UN,OC(=O)C1=C(F)CN(CC1)[S](C2=C(OCC)C=CC(=C2)CC#N)(=O)=O,ANGNTXRCZHOXJW-UHFFFAOYSA-N
-C892020157EB6882_6285ABD6E54E3D4C_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3=C(C=CC(=C3F)F)[S](=O)(=O)Cl,MPJBELFSVYPMHO-UHFFFAOYSA-N
-CB49EC74C87194CC_9380BA88E75C9F21_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=NC(=N[NH]2)C3=CC4=C(C=C3)CCC4)(=O)=O,IBRORDLCIBIIFP-UHFFFAOYSA-N
-CC3157A4AB1F14A8_4E166C8580E0136F_6038_DP,N(CCC1=NNC(=O)N1)C(C2=COC(=C2)C=CC(O)=O)=O,LLRRHEWZZGNRAU-UHFFFAOYSA-N
-CC5D5E32B074B283_DD521991B3BE3E50_7013_UN,CC[N]2C1=CC=C(C=C1N=C2C3CCC(=CC3C)C)C,UEDGHYMBVWRPDX-UHFFFAOYSA-N
-CD6489FE7323642C_535E47A9A96B19D2_6041_UN,OC(=O)C2=C1OCOC1=CC(=C2)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O,ATJLFJQVXKNSAV-UHFFFAOYSA-N
-CE1D1D9824437FB2_B462E9B2BF990011_7019_DP,CC1CNCCC1C=CC3=CC=C(C2=CC(=CC(=C2)C)C)C=C3,KPLZILGIHSSNDC-UHFFFAOYSA-N
-D0006418586E2077_205046DDA8E6B76C_6029_UN,N(CC1(CCCC1)C2=CC(=CC=C2)Cl)[S](C3=C(SC)C=CC=C3)(=O)=O,FHPOLJOBCYUFFC-UHFFFAOYSA-N
-D02C3DAD514A5CA0_BFB4B5B6D4BD3977_6038_DP,OC(=O)C(NC(C(=CC(C)(C)C)C1=CC=CC=C1)=O)C#N,TUMYZINHIQVRDH-UHFFFAOYSA-N
-D1059902075D6E56_CFB579FFDC47491A_6029_UN,N(C(CB(O)O)C(=O)O)[S](C1=C[NH]N=C1[N](=O)=O)(=O)=O,HFUYBLAZZANMHB-UHFFFAOYSA-N
-D1B150E0251D7A13_0CD3C934CF71B045_6029_UN,N(C1=C(C=CN=C1)B(O)O)[S](C2=NN=C(C(CC)(C)C)O2)(=O)=O,YKXSOVMNZRNIOK-UHFFFAOYSA-N
-D2082EEE91E81552_F15814CA22807FB6_6028_UN,N(CCC1=CC(=CC(=C1)Cl)Br)[S](C2=CC=C(C=C2)Br)(=O)=O,MOVKHJPBPRIKLB-UHFFFAOYSA-N
-D231E376CE88093A_4308A120A007CCD1_6029_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O)C,FRMJPNRUHSVTTI-UHFFFAOYSA-N
-D261850EE5A41076_009C4660BBE63C35_6035_UN,O(C1CN(C1)C2=NC(=CN=C2)Cl)C3=C(C#C[Si](C)(C)C)C=CC=C3,AMHAPVMJSYOCAI-UHFFFAOYSA-N
-D3555BD66700BFD1_131D8E02162BB41C_6041_UN,CC1=NC(=C(C(=N1)C)C)NC2C4=C(OC3(C2)CCOCC3)C=CC=C4,ZMBWPTXZLIIJBE-UHFFFAOYSA-N
-D4321E54DE821860_10756DD792B6BC09_6041_UN,OB(O)C1=CC(=C(C=C1)NC(CC(C)C)C2=NN=N[NH]2)[N](=O)=O,IRMCGYRXEISFQU-UHFFFAOYSA-N
-D598E03DE45E0D22_DA25827FCB15EC9E_6028_UN,N(C1=C(C=CN=C1)B(O)O)[S](C3=NN=C(C2CC2)[N]3CC=C)(=O)=O,YKFUBPQONCFWGV-UHFFFAOYSA-N
-D8369F68EC2635CB_D38630D139DAFA8E_6041_UN,CC1=NC(=NC(=C1)N[C@H]3C2=CC=CC(=C2OCC3)C)C,ZDXSMLWHTFCDAR-CQSZACIVSA-N
-D8F85BC6A3DEB09A_50949BE1BA3E9B34_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC(C)CCC3=CC=C[N]3C)C,IFCFRCFLZZDWFT-UHFFFAOYSA-N
-DAA6DD378B115780_3DCCC43A95DF265F_7019_UN,C(C1CCCOC1)=CC3=C(C2=C(C=C(C)C=C2)C)C=CC=C3,ZGJORASTQKSXRM-UHFFFAOYSA-N
-DAA6DD378B115780_8E74DA7139BF839C_7019_UN,C(C1CCCOC1)=CC3=C(C2=C(C=C(C)C=C2)C)C=CC=C3,ZGJORASTQKSXRM-UHFFFAOYSA-N
-DC67974CD44791E2_CB47D9400762495E_6029_DP,N(C1=CC(=CC=C1)C2=NN=C(C=C2)Cl)[S](C4=CC=C(C3(CNC3)O)C=C4)(=O)=O,DQUDSLOVAMBHRY-UHFFFAOYSA-N
-DCA5FEC5A73235DC_3C711BBFEA538419_6041_UN,CC1=NC3=C(C(=C1)NC2(CC2(C)C)C#N)C=CC(=C3)F,ZFZHBTJHPDQZSD-UHFFFAOYSA-N
-DDCD74242E38FC41_BB6649D2F24EDF14_6034_UN,C1CC(CO1)C3=NC2=C(C=CC=C2)N3CC=CC4=C(C=C(C)C=C4C)C,XXSQKDKARFNGGJ-UHFFFAOYSA-N
-DE43EE54264CC27E_CD7DCAB1BE75E823_6031_DP,N1CC(C1)C2=N[NH]C(=C2I)C(=O)OCC(N(C)C)(C)C,CDNZHOIIVCLRCO-UHFFFAOYSA-N
-DFC39488B0FD33E2_20EF0BE1C06F6F5F_6038_UN,CC1=CC(=CC=C1)C(=O)CNC(C2=C[N](CCCC)N=N2)=O,ZFNVDYDGCUCZSH-UHFFFAOYSA-N
-E0092100745BD3B2_74DB6C4356BA59A9_6029_UN,N(CC1(CC1)C2=C(C=CC=C2)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,BJFHMZBUUIETFN-UHFFFAOYSA-N
-E06B926A2852FD54_292B6DA81B93FA96_6041_UN,O[S](=O)(=O)C1=CC=C(C=C1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,JOAXNMQKUWKBNS-UHFFFAOYSA-N
-E198E8403E8BED51_9754344F2DC0157A_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@@H]3C[C@H](C3)C4=C(C=C(C=C4)F)F,YNAVJBAJBBNBCI-RUCARUNLSA-N
-E491B71099FDE614_8A2D94E365A5B88F_7019_UN,C(C1C2CCOCC12)=CC3=CC=CC(=C3)C4=CC=C(C)C=C4,OTURTEPCOSOSMW-UHFFFAOYSA-N
-E57D1982F1F00819_B5C6074BBB5EAE15_6038_UN,CC3=C(OC(=O)CC1=CSC(=N1)C2=NC=CC=N2)COC3=O,PAXJANOGJCNVET-UHFFFAOYSA-N
-E5AF55AFD733792A_58C60244964DEFAD_6033_UN,NC(CB(O)O)C(=O)OCC(C(OC)=O)=CC1=NC=CC=C1,HYECQZYICAHMIZ-UHFFFAOYSA-N
-E648837907BE2030_138FC5452E3BE462_2875_DP,O[S](=O)(=O)C1=C(C=CC(=C1)[N]2N=NC(=C2)C4=C3[N](CCNC3)N=C4)Cl,MMQFVGLRKYUQAC-UHFFFAOYSA-N
-E6C1C942D780CEF0_642BBE0B41FF0EE5_6038_UN,CC1=C(C=CC(=C1)NC(CCCN(C)C)=O)N2C(=O)CCC2=O,LTHWIISZVRHHAP-UHFFFAOYSA-N
-E7AE8CEB8C9EB80A_F9292B619B9BAB00_6029_UN,C1C(CN1[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O)OC4=NC=CC=C4,YWELJJQWUSRNFH-UHFFFAOYSA-N
-E9A915B30F6B0BA7_3CEDD2396C36788D_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CC(CCC)(C)C)=O,HPSUDTAJYXCOTQ-UHFFFAOYSA-N
-EAC08E16E09BDC25_F199C1BFB950DB2C_6038_UN,CCN(C)C(=O)CNC(C(N2CCN(C1=CC=C(OC)C=C1)CC2)C)=O,SOKXSPPCHHKWSB-UHFFFAOYSA-N
-EBB84BF6EBCAC8F6_FC7E582DB1B6BD37_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCCC(N(C)C)=O)=O,ORTUADHXIKHRDP-UHFFFAOYSA-N
-F0ED3B5D80D11E6A_05826CEE7C9E3D44_6038_UN,CCN(CC)CC#CC(C)OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,UDELLOJAQXOFGG-UHFFFAOYSA-N
-F373D120093AF9D7_38ED258B576B3195_6028_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=NN=C[NH]2)(=O)=O,GLSGXKJZSMEZKZ-UHFFFAOYSA-N
-F8C063A3BBF551F6_109B003C9BFC22C1_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC[C@H](CC(OCC)=O)CC(C)C,QKPIIVHGSJLEBL-LBPRGKRZSA-N
-F90EFC0B71297551_57CE02DD3AFDC703_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,KQBHLAIKUOLGKC-UHFFFAOYSA-N
-FBE4C5946C548BEC_25B1309926585017_6038_UN,CCOC(=O)N(C)CCOC(C1=C(CC(OC)=O)SC=C1)=O,JZSMWOFVNOURTF-UHFFFAOYSA-N
-FCB57BEB78CBF22D_7CD31606203B3B09_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3(C(CC)=O)CC3)=O,LWNMAUVFFTZSRL-UHFFFAOYSA-N
-FCD10B882C8B0F01_A186FEB92AE773C8_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=N[N]3C4=CC5=C(C=C4)OCO5)(=O)=O,DYHLCNQURPEGRD-UHFFFAOYSA-N
-FE5EAEDCB68A0B64_F2B0FD142CC26986_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)N,ZXBZYAIJEAIZJS-ZDUSSCGKSA-N
-FF15B6DEADD0C39F_CCC5F0E44AB55A17_6038_UN,C[C@@H](OC(=O)COC1=NC(=O)NC(=O)N1)CC2=CSC=C2,AUPSVIAUFYUENF-SSDOTTSWSA-N
-rxn:1:10879:58578,CCOC(=O)C1=C(Cn2cc(CN3C(=O)COc4ccc([N+](=O)[O-])nc43)nn2)NC(=O)NC1,JQBGELSNTZMUPQ-UHFFFAOYSA-N
-rxn:1:24230:44796,CC1(C(=O)OCc2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)COC(=O)OC1,FXUCOZYJPDPUDP-UHFFFAOYSA-N
-rxn:1:3397:44796,COC(=O)N1CCN(C(=O)c2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)CC1,SIWCXGUVSRWDJH-UHFFFAOYSA-N
-rxn:1:3434:47750,CN1CC(=O)OB(c2cn(CC(O)C(O)c3ncc(Cl)cc3[N+](=O)[O-])nn2)OC(=O)C1,JQLPZKOYIXEZOV-UHFFFAOYSA-N
-rxn:1:42347:3664,COc1cc(C=C2NC(=O)NC2=O)cc(I)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,GGEBVLHBJKCUPR-UHFFFAOYSA-N
-rxn:1:42347:9426,COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,CUYGYQWMOFVHSY-UHFFFAOYSA-N
-rxn:1:59652:33381,CCOc1ccccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(OC)c(I)c4)C3=O)nn2)CC1,VISIEUKDHZNERM-UHFFFAOYSA-N
-rxn:1:59653:1285,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(C(=O)O)cc5)C4=O)nn3)CC2)cc1,PCYUAMSVTVLTAB-UHFFFAOYSA-N
-rxn:1:60331:25490,Cc1cc(Br)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,LKTIHTTVMFTFNT-UHFFFAOYSA-N
-rxn:1:60331:25491,Cc1cc(Br)c(F)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,AISAADVIBBWWEL-UHFFFAOYSA-N
-rxn:1:60331:25495,Cc1cc(Cl)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,ISQPSBLTAQFYFI-UHFFFAOYSA-N
-rxn:1:60331:25496,Cc1cc(F)c(Br)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,CICSFBDFTSUWFU-UHFFFAOYSA-N
-rxn:1:60331:25565,Cc1cc(Cl)nc(Cl)c1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,GBOYAJUGFUNZEL-UHFFFAOYSA-N
-rxn:1:60932:9589,COC1(C(F)(F)F)CCN(CCn2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3)nn2)CC1,GRDGNZUOMYCNNW-UHFFFAOYSA-N
-rxn:1:61053:14827,O=C(Cn1cc(CN2C(=O)SC(=Cc3cc4c(cc3Cl)OCO4)C2=O)nn1)N1CC(CF)C1,YHRZQGWXQLYSTG-UHFFFAOYSA-N
-rxn:1:61196:14827,O=C(c1ccc(=O)[nH]n1)N1CC(n2cc(CN3C(=O)SC(=Cc4cc5c(cc4Cl)OCO5)C3=O)nn2)C1,KMPLEAGCBJIRPP-UHFFFAOYSA-N
-rxn:1:61600:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCOc3ccc(F)cc3C(=O)O)nn2)N1,QFONDZXMQRASFO-UHFFFAOYSA-N
-rxn:1:62848:23419,CCOc1ccccc1C=C1SC(=O)N(Cc2cn(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)nn2)C1=O,VSYBSEBYXXBZFD-HFKCRURASA-N
-rxn:1:62972:8089,CC(=O)c1ccccc1N1CC(Cn2cc(C(=O)N3CCC(c4cc(O)nc(N(C)C)n4)C3)nn2)CC1=O,BHNRTERNCFOXKN-UHFFFAOYSA-N
-rxn:1:63787:9933,CCN1C(=O)COc2ccc(-c3csc(SCc4cn(CC5CC(=O)N(c6c(C)cccc6C(=O)O)C5)nn4)n3)cc21,HWCFBIAMYABVOO-UHFFFAOYSA-N
-rxn:1:64231:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(Cc4cccc5[nH]ccc45)C3)nn2)OC1=O,RMXCAHCIGNSMDX-UHFFFAOYSA-N
-rxn:1:64324:4348,O=C(CN1CCNCC1)Nc1cccc(-c2cn(CC3CC(=O)N(c4c(Br)cccc4C(=O)O)C3)nn2)c1,XYTCRYWENIGHHD-UHFFFAOYSA-N
-rxn:1:64324:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,NEZJJPJQIJGFDK-UHFFFAOYSA-N
-rxn:1:64327:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(F)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,DQSFEJRWWLXIAR-UHFFFAOYSA-N
-rxn:1:64722:12295,O=C(Nc1ccc(-c2cn(CC3CC(=O)N(c4ccc(Br)c(C(=O)O)n4)C3)nn2)cc1)c1cccnc1N1CCOCC1,PJCMVAVUOQQWAA-UHFFFAOYSA-N
-rxn:1:64757:5515,Cn1c(N2CCCC(C(=O)NCc3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)C2)nc2ccccc21,MGKYYDHONJFAAB-UHFFFAOYSA-N
-rxn:1:65032:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4ccncc4C=O)C3)nn2)OC1=O,QAKDQRKLCGYNNO-UHFFFAOYSA-N
-rxn:1:65150:32858,Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)cc1-c1cn(CC2CC(=O)N(c3ccnc(C(=O)O)c3)C2)nn1,SPHROLFLMHBMNP-XLDIYJRPSA-N
-rxn:1:701:42571,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2cc([N+](=O)[O-])ccn2)nn1,OJNCFNFSRBCMEH-UHFFFAOYSA-N
-rxn:1:701:42572,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2ccc([N+](=O)[O-])cn2)nn1,JYYAJWIBYCLAEA-UHFFFAOYSA-N
-rxn:2:111099:126600,Cc1ccc(C(C)NCc2cn(CCN3CCCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,WSYLVBSZVHIIEI-UHFFFAOYSA-N
-rxn:2:117066:117602,CC(NCCCCN1CCC(F)(F)CC1)c1ccc(OS(=O)(=O)[O-])cc1,JIZSFVMAZOJHSP-UHFFFAOYSA-M
-rxn:2:67353:70121,CC1(C)CCC(C)(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)C1,WAQBAVIKEJGNPH-UHFFFAOYSA-N
-rxn:2:69415:134221,CCC(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)c1cnc(N2CCN(C)CC2)cc1C,PVZCSELPPFXZGI-UHFFFAOYSA-N
-rxn:2:70121:102686,CC1(C)CCC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,LPIRJEGAWBHPQA-UHFFFAOYSA-N
-rxn:2:70121:99344,CC1(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,PZFLOGYYBGJJLW-UHFFFAOYSA-N
-rxn:2:70902:148822,CC1CC(COc2ccc(CNC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)C1,UUGIAWYISBWWMO-UHFFFAOYSA-N
-rxn:2:100221:154927,CCOC1CN(c2ccccc2NC(c2ccccc2)c2cnc(N3CCN(C)CC3)c(C)c2)CC1OC,GCGYDBUHJRHRAV-UHFFFAOYSA-N
-rxn:2:100395:115972,CCC1CCC(C)(NC2C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CC1,SXUNOSPUDAZHOW-QPQHNHPXSA-N
-rxn:2:100395:91416,CCC1CCC(C)(NC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CC1,SXUNOSPUDAZHOW-UHFFFAOYSA-N
-rxn:2:100941:90924,CCOCC1CCCN(c2ccc(NC(CN3CCC(CC)CC3)c3ccn(C)c3)cc2)C1,AJLYWAGCWGKXQR-UHFFFAOYSA-N
-rxn:2:100949:130197,CCC(NC1CN(c2cc(C)ccc2OC)CCC1(C)C)c1ccc(N2CCN(C)CC2)nc1C,RVWUTNHWROQNNC-UHFFFAOYSA-N
-rxn:2:101129:142719,CCOC1CN(c2ccc(NC(C)c3c(N4CCN(C)CC4)[nH]c4c(C)ccc(C)c34)cc2)CC1OC,ZTWDGWRWZWHXKU-UHFFFAOYSA-N
-rxn:2:101129:146975,CCOC1CN(c2ccc(NC(c3ccccc3)c3ccc(N4CCN(C)CC4)nc3C)cc2)CC1OC,HIMMWHVLEDJDDP-UHFFFAOYSA-N
-rxn:2:102769:153335,CCS(=O)(=O)c1ccc(C(NCc2cnc(N3CCN(C)CC3)c(C)c2)C2CCCC2)cc1,YDYWFUNBULMMKB-UHFFFAOYSA-N
-rxn:2:104175:66888,COCC1CN(c2ccc(NC(CN(C)C(C)C3CC3)c3ccc(C)cc3)cn2)CC1(C)C,DOPUCVVMNIZIKO-UHFFFAOYSA-N
-rxn:2:105143:82094,CCCn1nc2c(c1CNC(c1cccc(CN3CCN(C)CC3)c1)C1CC1)CN(C)CC2,SQTHHWYQPSFWNI-UHFFFAOYSA-N
-rxn:2:105485:81090,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(N2CCN(C)CC2)s1,LYMLMMXDOSHQLN-UHFFFAOYSA-N
-rxn:2:107774:134221,CCC(NC1CC2CCN(C3CC3)c3cccc1c32)c1cnc(N2CCN(C)CC2)cc1C,FRKWDZZGNGNGRU-UHFFFAOYSA-N
-rxn:2:109877:81090,CC(NCc1ccnc(OCC2CCN(C)CC2)c1)c1ccc(N2CCN(C)CC2)s1,OIXXJBNSSHUVGV-UHFFFAOYSA-N
-rxn:2:110161:71645,CCC(C(NCC1(CCOC)CCCCC1)c1ccccc1)N1CCOCC1,AQMKTBDVORTZLZ-UHFFFAOYSA-N
-rxn:2:111026:130197,CCC(Nc1nn(C2CCN(C)CC2)c2c1C1CC1C2)c1ccc(N2CCN(C)CC2)nc1C,NMIAASRUJNYEBZ-UHFFFAOYSA-N
-rxn:2:111026:134221,CCC(Nc1nn(C2CCN(C)CC2)c2c1C1CC1C2)c1cnc(N2CCN(C)CC2)cc1C,RLWWFMVQUGOVQV-UHFFFAOYSA-N
-rxn:2:111026:137213,CCC(Nc1nn(C2CCN(C)CC2)c2c1C1CC1C2)c1ccc(N2CCN(C)CC2)cc1,KXSASCZHBMEUAC-UHFFFAOYSA-N
-rxn:2:111374:134221,CCOCC1CCCN1c1ccccc1NC(CC)c1cnc(N2CCN(C)CC2)cc1C,OSPDQDKBGXGFAR-UHFFFAOYSA-N
-rxn:2:113055:143222,CCCC(NC(C)CN1CCN(C)CC1CN(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,GKYGAOWWQMNZHF-UHFFFAOYSA-N
-rxn:2:113632:130197,CCC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,UJASHPHWYKLHNS-UHFFFAOYSA-N
-rxn:2:113632:134221,CCC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1cnc(N2CCN(C)CC2)cc1C,CPEUCHALAQEDCO-UHFFFAOYSA-N
-rxn:2:116090:137213,CCC(NC1CN(C)CC1c1ccc2c(c1)CCO2)c1ccc(N2CCN(C)CC2)cc1,YPOCUGIBAXXHEA-UHFFFAOYSA-N
-rxn:2:117236:120331,CCCCCC(NCC1C(c2cccnc2OC)C1(F)F)C1=NCCCC1,OPNLONKBXREUFI-UHFFFAOYSA-N
-rxn:2:117494:69927,CN1CCC2(C1)Oc1ccccc1C2CNCC1CCN(CCS(C)(=O)=O)C1,KYNVWJMCEZPDPD-UHFFFAOYSA-N
-rxn:2:120404:119356,CCOCC1CCN(c2nc(NC(C)c3cnccc3OCC3(C)CCC3)cs2)CC1,DDDRHQOAHCBTLB-UHFFFAOYSA-N
-rxn:2:120404:137738,CCOCC1CCN(c2nc(NC(C)c3ccc(CN4CCN(C)CC4)cc3)cs2)CC1,PVPAHJNUDMLVLJ-UHFFFAOYSA-N
-rxn:2:120404:155971,CCOCC1CCN(c2nc(NC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)cs2)CC1,LDKXJIXQICEODQ-UHFFFAOYSA-N
-rxn:2:120404:73328,CCOCC1CCN(c2nc(NC(c3ccccc3CN3CCN(C)CC3)C3CCCC3)cs2)CC1,HEKLKZQGTAELCY-UHFFFAOYSA-N
-rxn:2:120592:122026,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc(N2CCCCC2)nc1C,XLFDAMQMWNJEKV-UHFFFAOYSA-N
-rxn:2:120592:73038,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,TYMFPYVVOUFFQF-UHFFFAOYSA-N
-rxn:2:120592:79723,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc(N2CCN(CC)CC2)nc1C,UUXRQLMYYZDFGF-UHFFFAOYSA-N
-rxn:2:120784:135127,CCOCC1CCN(c2ccccc2NC(C)c2cnc(N3CCN(C)CC3)nc2C)CC1,LGKXLBXMOZTRCV-UHFFFAOYSA-N
-rxn:2:123795:130197,CCC(Nc1cc2c(c(C3CC3)c1)CCN(C)C2)c1ccc(N2CCN(C)CC2)nc1C,NFBYBXLVNOFMKB-UHFFFAOYSA-N
-rxn:2:126812:119601,CC(CCc1cc2c3c(c1)CCCN3CCC2)Nc1ccc(OCC2CN(C)CCN2C)cn1,GVSWSFFBRJNRMZ-UHFFFAOYSA-N
-rxn:2:131811:119601,CC(CCc1cc2c3c(c1)CCCN3CCC2)Nc1cccc(N2CCC(N(C)C)CC2)c1,VJXUTDVFGFGARI-UHFFFAOYSA-N
-rxn:2:131811:79723,CCC(Nc1cccc(N2CCC(N(C)C)CC2)c1)c1ccc(N2CCN(CC)CC2)nc1C,JXELUGJDSIBJBC-UHFFFAOYSA-N
-rxn:2:132257:130552,CC(C)CCCC1CCC(Nc2ccc(OCCC3CCCN3C)cn2)CC1,WKISZEIRMZCGAG-UHFFFAOYSA-N
-rxn:2:132422:134221,CCC(Nc1ccc(N2CCC(C)(COC)CC2)cc1)c1cnc(N2CCN(C)CC2)cc1C,DOEVKXJUKRHKSO-UHFFFAOYSA-N
-rxn:2:132422:73038,CCC(Nc1ccc(N2CCC(C)(COC)CC2)cc1)c1cnc(N2CCN(CC)CC2)cc1C,QJPTVVKOVBNENL-UHFFFAOYSA-N
-rxn:2:132711:130197,CCC(Nc1cnn(C)c1C1CCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,QPEAOZOSKPHIBY-UHFFFAOYSA-N
-rxn:2:134302:105145,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)C1,QSWWWBYBRWCRPZ-UHFFFAOYSA-N
-rxn:2:134302:141711,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)c(C)c2)C1,SGIJTGWWXSQUHQ-UHFFFAOYSA-N
-rxn:2:134302:79723,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)C1,JTOCGPUZWDDBBV-UHFFFAOYSA-N
-rxn:2:136206:115972,CN(C1CC1)C(CNC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,NKNXTWJJXPYULT-UVORGVRPSA-N
-rxn:2:136206:91416,CN(C1CC1)C(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,NKNXTWJJXPYULT-UHFFFAOYSA-N
-rxn:2:136737:134221,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)cc3C)cc2)CC1,VOIYPDZNPOIPJW-UHFFFAOYSA-N
-rxn:2:136737:73038,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)cc2)CC1,XELFQFXPOMQNHH-UHFFFAOYSA-N
-rxn:2:136737:90924,CCOCC1CCN(c2ccc(NC(CN3CCC(CC)CC3)c3ccn(C)c3)cc2)CC1,SLOJIYRJRVTXGW-UHFFFAOYSA-N
-rxn:2:138268:130197,CCC(NCCN1CCC(c2ccc3c(c2)CCN3C)C1)c1ccc(N2CCN(C)CC2)nc1C,WCRFYITXICXVQV-UHFFFAOYSA-N
-rxn:2:138546:130197,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCN(C)CC2)nc1C,IDFHULPWMIDGEN-UHFFFAOYSA-N
-rxn:2:138546:134221,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cnc(N2CCN(C)CC2)cc1C,NPYWTLGLIXNHPC-UHFFFAOYSA-N
-rxn:2:138546:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)Nc1ccc(N2CCC(N(C)C)CC2)cn1,STUGOWSLWOVSRM-UHFFFAOYSA-N
-rxn:2:140873:114842,COCc1ccccc1N1CCC(NC(CN2CCCCC2)c2ccc(C)cc2C)CC1,CWYDLCCNBWGBPB-UHFFFAOYSA-N
-rxn:2:151196:92979,CCC(NCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1)C1(c2cc(C)ccc2C)CCN(C)CC1,YHKLLNSKGKSWAZ-UHFFFAOYSA-N
-rxn:2:66407:119065,CCC(NC1CCc2cc(N3CCCC3)ccc21)c1ccc(N2CCN(C)CC2)nc1C,GAWCSXZVBNPYHZ-UHFFFAOYSA-N
-rxn:2:66407:163343,CCC(NC(C)c1ccc(OC)c(-c2cnc(N3CCCC3)nc2)c1)c1ccc(N2CCN(C)CC2)nc1C,UHUQHDMXOXKDFM-UHFFFAOYSA-N
-rxn:2:66816:166901,CN1CCC(N2CCC(NC3COc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc43)CC2)CC1,AETRCQPJMKTSNJ-UHFFFAOYSA-N
-rxn:2:67023:171107,CCC(NC1CCN(C)CC1N1CCc2ccccc2C1)c1ccc(N2CCCc3ccccc32)nc1C,SWDWDXOQILVYHB-UHFFFAOYSA-N
-rxn:2:67701:81549,CC(CCc1csc(C2CCN(C)CC2)n1)NCCC1C(c2cccnc2)CCN1C,AYWWJDCATZKVDY-UHFFFAOYSA-N
-rxn:2:68214:155971,CC(NCCOCC1CCN(C)CC1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,DPUFFLPLMDLELT-UHFFFAOYSA-N
-rxn:2:69214:77973,Cc1ccc(C2CCC(C3CCC(NC4COc5cc(S(C)(=O)=O)ccc54)CC3)CC2)cc1,BAXKMHJIGXKXCC-UHFFFAOYSA-N
-rxn:2:69491:88564,COc1ccc(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])N2CCCCCC2)cc1,HKAIOUQUVQPOIR-UHFFFAOYSA-M
-rxn:2:70768:123221,CCCC(Nc1ccccc1N1CCCC(COC)C1)C1CCCN(C2CCCCC2)C1,GGIIHWYCRMSHTR-UHFFFAOYSA-N
-rxn:2:71443:153182,CCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(-c2cnn(C3CCOC3)c2)cc1,ZNWHYUGLTLCRIW-UHFFFAOYSA-N
-rxn:2:71988:130197,CCC(Nc1cccnc1OCC1CCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,LIIVYFKMNHMEEU-UHFFFAOYSA-N
-rxn:2:72120:110182,CCC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)C1(c2ccccc2)CCN(C)CC1,JOYNKCNJKOGJMG-UHFFFAOYSA-N
-rxn:2:72602:130197,CCC(NCC1CCN(C)CC1c1ccc2c(c1)CCC2)c1ccc(N2CCN(C)CC2)nc1C,IJEZHMFGUMNROQ-UHFFFAOYSA-N
-rxn:2:74933:81549,CCOCC1CCN(c2ccc(NC(C)CCc3csc(C4CCN(C)CC4)n3)cc2)C1,KCMOIOYIHMSCFF-UHFFFAOYSA-N
-rxn:2:75130:114309,CCOCC1CCN(c2ncccc2NC(CN2CCN(C)CC2)c2cccn2C)CC1,AUARJFPBJGCJFK-UHFFFAOYSA-N
-rxn:2:75130:130197,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(C)CC3)nc2C)CC1,JYMACFSYJRAJGJ-UHFFFAOYSA-N
-rxn:2:75130:161891,CCOCC1CCN(c2ncccc2NC(C#CN2CCN(C)CC2)c2cc(C)ccc2C)CC1,WYZXJBHDDSQLOW-UHFFFAOYSA-N
-rxn:2:75130:91208,CCOCC1CCN(c2ncccc2NC(C)c2c(C)nc(N3CCN(C)CC3)nc2C)CC1,XADTXTUMYSHWOJ-UHFFFAOYSA-N
-rxn:2:75130:92979,CCOCC1CCN(c2ncccc2NC(CC)C2(c3cc(C)ccc3C)CCN(C)CC2)CC1,KKZUNUUXGXNJLV-UHFFFAOYSA-N
-rxn:2:76425:114712,CCS(=O)(=O)CCCNC(c1ccc(CN2CCN(C)CC2)cc1)C1CC1,NIHXDLKAQVBPMT-UHFFFAOYSA-N
-rxn:2:76425:115373,CCS(=O)(=O)CCCNC(c1ccccc1CN1CCN(C)CC1)C1CCC1,VQPONKZXQCTJHF-UHFFFAOYSA-N
-rxn:2:76425:117560,CCS(=O)(=O)CCCNC(c1cccc(CN2CCN(C)CC2)c1)C1CCCC1,QGNSVZHADMOPII-UHFFFAOYSA-N
-rxn:2:87995:130197,CCC(NCCN1CCC(c2cccs2)CC1)c1ccc(N2CCN(C)CC2)nc1C,XZFLLINVEIKTAK-UHFFFAOYSA-N
-rxn:2:88200:125092,COCC1CN(c2ccc(NC(C)CC(c3ccccn3)N3CCN(C)CC3)cc2)CC1(C)C,IGGYXZZOWVKOCB-UHFFFAOYSA-N
-rxn:2:88200:148738,COCC1CN(c2ccc(NC(c3ccccc3)c3cnc(N4CCN(C)CC4)cc3C)cc2)CC1(C)C,KRALHSBHVKQSGM-UHFFFAOYSA-N
-rxn:2:89462:114712,CCS(=O)(=O)C1(CNC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)CCC1,ZMIZSKAVKUMCMZ-UHFFFAOYSA-N
-rxn:2:90507:134221,CCC(Nc1ccccc1N1CCN(CCOC)CC1)c1cnc(N2CCN(C)CC2)cc1C,ICHMQWXNSYFQSP-UHFFFAOYSA-N
-rxn:2:91379:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2ccccc2N2CCC(N(C)C)CC2)C1,HXWATXRPICJEHQ-UHFFFAOYSA-N
-rxn:2:92910:119888,CCC(C(Nc1cnc(OCC2CCCN(CC)C2)nc1)c1cccs1)N1CCCC1,PEBSMZYNFXLFLA-UHFFFAOYSA-N
-rxn:2:93727:73038,CCC(Nc1ccc(N2CCC(OC)CC2)cn1)c1cnc(N2CCN(CC)CC2)cc1C,LWUJTNHQWJFEPF-UHFFFAOYSA-N
-rxn:2:94167:172936,COCCN1CCC(NC(c2cccc(-c3cccc(OC4CC4)c3)c2)C(C)(C)C)CC1,GQOATIQHCYSSKM-UHFFFAOYSA-N
-rxn:2:96507:110033,CCOCC1CCN(c2ccc(NC(C)c3sc(N4CCN(CC)CC4)nc3C3CC3)cn2)CC1,VKLWBSXSTBDPSQ-UHFFFAOYSA-N
-rxn:2:96507:110182,CCOCC1CCN(c2ccc(NC(CC)C3(c4ccccc4)CCN(C)CC3)cn2)CC1,PHNRVAKRVMULGF-UHFFFAOYSA-N
-rxn:2:96507:114309,CCOCC1CCN(c2ccc(NC(CN3CCN(C)CC3)c3cccn3C)cn2)CC1,QBNLWMHWUJJIDP-UHFFFAOYSA-N
-rxn:2:96507:117560,CCOCC1CCN(c2ccc(NC(c3cccc(CN4CCN(C)CC4)c3)C3CCCC3)cn2)CC1,RUUCWPABCRKFTC-UHFFFAOYSA-N
-rxn:2:96507:134221,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)cc3C)cn2)CC1,VWTFYACZSIKWHE-UHFFFAOYSA-N
-rxn:2:96507:79723,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3C)cn2)CC1,DWYVAHCCJBVUGL-UHFFFAOYSA-N
-rxn:2:96507:83127,CCOCC1CCN(c2ccc(NC(c3ccc(C)cc3)C(C)N3CCN(C)CC3)cn2)CC1,YAZOADZLVAJAMP-UHFFFAOYSA-N
-rxn:2:96507:91750,CCOCC1CCN(c2ccc(NC(CN3CCN(C)CC3)c3ccc(CC)cc3)cn2)CC1,NFMUWGVTFIFEJX-UHFFFAOYSA-N
-rxn:2:97754:125863,CCOCC1CCN(c2ccccc2NC(C)c2cnc(N3CCN(CC)CC3)nc2C)C1,XBCPOJWVPBYLCR-UHFFFAOYSA-N
-rxn:2:97754:134221,CCOCC1CCN(c2ccccc2NC(CC)c2cnc(N3CCN(C)CC3)cc2C)C1,YVHXHFUXJCENMD-UHFFFAOYSA-N
-rxn:2:97754:73038,CCOCC1CCN(c2ccccc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)C1,NKOAFAVGUSEWEG-UHFFFAOYSA-N
-rxn:2:97823:115389,CCC(C(NC1CCN(c2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,RYPZAZVPEDJTKV-UHFFFAOYSA-N
-rxn:2:98166:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)OCCO2)c1ccc(N2CCN(C)CC2)nc1C,UWEZBBRUQCQVRQ-UHFFFAOYSA-N
-rxn:2:98179:78304,Cc1cc(CCN2CCN(C)CC2)cc(NC(c2ccccn2)C2CCN(C)CC2)c1C,WWDYOTKGDOHOTM-UHFFFAOYSA-N
-rxn:2:99044:103107,CCOCC1CN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)c(C)c3)cc2)CC1C,HCQMZCCBGALWIU-UHFFFAOYSA-N
-00EE8C0782CE24D8_9BFC982F367671E0_6038_UN,O(CC1C2CCC#CCCC12)C(C3=CC(=CO3)[S](N)(=O)=O)=O,PNTGLZXBLKOOEJ-UHFFFAOYSA-N
-043458048B4F9DA8_F73D9F32B7E6A0FD_7019_UN,NC1=NC2=C(C=C1)C(=CC(=O)N2)C=CC3=CC=C(C=C3)C4=C(C=CC=C4)C#N,SGPDUWHHMZSYRJ-UHFFFAOYSA-N
-04384B3BB3A18AFA_1367A8C230A9358E_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=CSC(=C2)I)(=O)=O,NMIZTPXUKIDNIV-UHFFFAOYSA-N
-047E43AAA54E4B4D_9AE855444CB0D253_6035_UN,O(CC1=CC2=C(C=C1)OCO2)C3=CC=CC4=C3CCC(C)(C)O4,ZOTMKMBBRZYSOE-UHFFFAOYSA-N
-0A2283BB5A72CB68_C69F02B18B67B8D3_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(=O)C23CC(F)(C2)C3,CSOPWOAFQJDLFY-UHFFFAOYSA-N
-0A781346F3AC82AA_12C302968233D0E5_6038_UN,O(C1=CC2=C(C=C1)OCO2)C(CC3=CC=C(OC)C=C3)=O,CBLWGZNUAXUGDT-UHFFFAOYSA-N
-0DCE7DC44FEE4B0A_944A71B48A07ABF0_6029_UN,N(OCC1(CCC1)F)[S](C2=C([S](Cl)(=O)=O)SC=C2)(=O)=O,HDSUICAHAQOZNI-UHFFFAOYSA-N
-10D265928948EC93_8BC30F07D7722228_6026_UN,O=[N](=O)C2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)NCC(C)=C,KNPKAESJNZQDTD-UHFFFAOYSA-N
-1312ABDCEA2C827E_3C0352F86ECE3230_6036_UN,C(CCNC(=C1N=CC=CC1=O)O)N([S](C)(=O)=O)CC[S](=O)(=O)Cl,CTJQWQODVXUYGQ-UHFFFAOYSA-N
-16CA34DFE694073B_656A191C5301B81A_7022_UN,C2(=CC1=C(C(=CC=C1)F)S2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,ATAGMPGDGUYCOT-UHFFFAOYSA-N
-17CE47256C7A70AE_CB3EE4CB5F08BB9E_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=CC=C(C=C2)C4=NC3=C(C(CCC3)=O)S4)(=O)=O,QOINLZCHRIBSBN-UHFFFAOYSA-N
-1FAB624A3011811B_AE223FA8C59CB9A5_6038_UN,CN1CC(C1)OC(C3=CC=C(O[S](C2=C(C=CC(=C2)C)C)(=O)=O)C=C3)=O,DIUVSHXQBQRPJX-UHFFFAOYSA-N
-250AEC106E86DE6C_093391AADEDC5FF9_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)F,AMIPVFSMAIFXPJ-UHFFFAOYSA-N
-2955C4EC1D3ED9E9_C7C4678A9C99B779_6029_UN,N([S](=O)(=O)OC1=CC(=CC=C1)C#N)[S](C2=NC=C3C(=C2)C=N[NH]3)(=O)=O,WTAYRSDKTWLNKQ-UHFFFAOYSA-N
-2BDE6208F2054F9F_DBDB3455CB779415_6029_UN,CCON1CCN(CC1)[S](C2=CC=CC(=C2)C(C(C(OC)=O)=C)O)(=O)=O,ZIYDSCSMHXLLEZ-UHFFFAOYSA-N
-2D2DA2BED07A1DB0_F18160BE8DA83E74_7022_UN,C1(=CN=C(C=C1)[N](=O)=O)N(C(C)=C2C=CC(=N[S](=O)(=O)C)C=C2)O,OWIYDSQFXPXNTF-UHFFFAOYSA-N
-3279282ED5A58FD8_079C51CC668256A8_6039_UN,COC1=C(C(=NC(N1)=N)N2CCOCC2)COCC3=CC(=C4C(=C3)OCO4)C5=CN=CC(=C5)F,AQLNSCJGMKAKJX-UHFFFAOYSA-N
-342E1299013C2BBC_A36CF31CEF2569FF_6029_UN,CC1=CSC(=C(N=O)C#N)N1[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,SBTRBKOUSLZTKB-UHFFFAOYSA-N
-35C2E027D6721A95_D06AF0E125C3D4C1_6029_UN,COC(=O)C3=NOC1(CN(C1)[S](C2=CC(=C(C=C2)Cl)OCOC)(=O)=O)C3,YLTIPVILWQIBPF-UHFFFAOYSA-N
-36443279DD3B7CB7_148B6A2B85C3901E_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(C=CC(=C2)Cl)OCC3CO3)(=O)=O,MTZVEWXHWKQNIG-UHFFFAOYSA-N
-3F87A124B6FF5BB6_94E8B4B9C428961B_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C3=C2C=CC=CC2=CC=C3)(=O)=O,NLANVYLWHZPVBE-UHFFFAOYSA-N
-5A45C16900A86964_4800A64D7CB6A1F8_7009_UN,N([S](=O)(=O)C1=CC=CC=C1)C(=O)C2=CN(O)C(=O)NC2=O,RVYAKPKLILQIOJ-UHFFFAOYSA-N
-5E2CC7EC60909B06_7B48B4325FF88FD9_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(C#CC2(C)COC2)=O,STHRUUFKSSNOPP-UHFFFAOYSA-N
-5F7095FC71009152_4874551C30FC9C3A_6003_UN,CN2CCC(OC1=C(C(=CC=C1)[S](N)(=O)=O)[N](=O)=O)(CC2)C3=NC(=CC=C3)Cl,HSYITLJDXABPEI-UHFFFAOYSA-N
-5FE286B4F9FF6B20_A33CCD3823726157_6031_UN,CNC(=NCC(=O)OC[C@@H](CC)NC1=NC=C(C=C1)Br)NC,OJVWQELWODCSPL-LLVKDONJSA-N
-64467697029B9EBC_3A91FB263AE3392F_6029_UN,N(CC1=CC(=NC=C1)N2CCCCCC2)[S](C3=CC(=C(C=C3[N](=O)=O)[S](=O)(=O)Cl)C)(=O)=O,PPWWTCYOXNTQBN-UHFFFAOYSA-N
-662405C3EE70CA8E_D7D74C3B6DA6061D_7019_UN,CCC3CCC(C=CC1=CC=C(C=C1)C2CCC2)CC3,FRSZIXKBLGFDMT-UHFFFAOYSA-N
-663826219708A21A_CEFF126F0EB349AE_6034_UN,O=C1N(C(=NC2=C1C(=CS2)C3=CC=CC=C3)CC#N)C(CC)=CC#N,MVUOAAUYKKHYMD-UHFFFAOYSA-N
-66FA4858FFAEE598_30B83E7A6B121F98_7015_UN,ClCC(=O)C(=C1N(C(=CS1)C34CC2CC(CC(C2)C3)C4)[S](CO)(=O)=O)C#N,CYEDSDVTLPNWTD-UHFFFAOYSA-N
-6F3C37D26C586287_0C8D6D6F9B4C8715_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N3N=C2COC4=C(N2C3(C)C)C=CC=C4)C#N,HIBWGTNRAIBGOE-UHFFFAOYSA-N
-741C9E862FCC8DF0_AEEFA9B86F293DCE_6038_DP,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(C(C2=CCNC2)(C)C)=O,MYWXQHXWYRBDMB-UHFFFAOYSA-N
-775CB4000E893872_A63B960E8CA6CA32_6038_UN,N(CCC(=O)NC(=O)N)C(C1=CC(=CC(=C1)CC)F)=O,RPIBAXYLXQPKQU-UHFFFAOYSA-N
-7DCF50EB491A7DE9_D8126DD9A8C1C716_7019_UN,CCCN(CCC)CC=CC1CCCCCCCCCCC1,NVRGMVFFEYVPAL-UHFFFAOYSA-N
-7E5583C841B5DAC1_766547DEA4D75EDA_6035_UN,CCCC3CCC(OC1=CC(=CC=C1)C2CCOCC2)CC3,UOJMUNBNWCKLRG-UHFFFAOYSA-N
-7E8024F2F4FE7D02_2F3761D57F3E8C5B_6016_UN,OC1(CNC1)C2=CC(=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4,IZWOKGYRKDNGSL-UHFFFAOYSA-N
-845EAE07751200A7_A10C0324786A901A_6038_UN,CC(C)CC(NC(CCC[Si](C)(C)C)=O)C(=O)NC1=NC=CS1,QUHBLPMRTRRVRR-UHFFFAOYSA-N
-8740A7F540155C2E_6717B94A46CA06E8_6031_UN,O(C(=O)C(=C)C1CCC1)CCOCCNC2=NC=C(C=C2)Br,QUVDLPJGKWTTQX-UHFFFAOYSA-N
-87BB33F75E969CB5_FC993E69D8637D26_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C([N](=O)=O)C=C2)F)(=O)=O,FMFFMLGTYJLPFM-UHFFFAOYSA-N
-88BDE22B19E23D86_1F5C0B0386642F0F_6031_UN,O(C(=O)[C]2(C[C]1(C[CH2]C1)C2)C3=CC=CS3)CC[S](=O)(=O)O,YZWDWGITNMCNNY-UHFFFAOYSA-N
-8DB2E1C3374D7AB1_76DC4997450DFDF2_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=C[N](N=C2)C3CC3)(=O)=O,MVYWSCSFCJZCST-UHFFFAOYSA-N
-9087C4F50AD903B1_A920B3DBC1A32388_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C3=CC2=C(CCCCC2)S3,BEHPFTCHDARJBB-UHFFFAOYSA-N
-96A7361B19CF9CE3_CD5993EA69B9C25E_6043_UN,ONC(=O)C1=CC=C(C=C1)N[S](=O)(=O)C2=CC=C(C=C2)CN=C=S,PGFOSBOXAFFAFK-UHFFFAOYSA-N
-9738818276676591_635E6638B3681047_6038_UN,CC(C)(C)[Si](C)(C)OCCOC(=O)CCCN1C(=O)NNC1=O,MEPPAAKZBZWZEM-UHFFFAOYSA-N
-9849C767943A3F14_57071C78C5F84610_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)Cl,JZNUOERDIXYXQH-UHFFFAOYSA-N
-99678F78ECFA1D4F_74B3A5A8AD637840_6041_DP,C2(=C1C(=C[NH]C1=NC=C2)CC#N)NCC(C3CNC3)F,DQUXOWAIZLGTKI-UHFFFAOYSA-N
-9E385CE82AEE6ECE_EF4623C61E9C99E9_7019_UN,C(C1=NC(=O)NN1)=CC2=CC(=CC=C2)OCC3=CC(=CC=C3)C#N,ALKCTSGXUSZXRC-UHFFFAOYSA-N
-A8C7DE7DDAFB9814_975C19FB57803ED6_2201_UN,BrC1=CC(=CC=C1)C3=NC2=C(C(=C(C)S2)C)C(=C3C4CC4)C5=CC=C(C=C5)C,OLGPBZPGGHCCQR-UHFFFAOYSA-N
-A98A30F1C3280BAA_797E5B149D2108BA_6041_UN,CC(C)OC1=NC(=C(C=C1)NC(C(OC)=O)CC(=C)C)C#N,NWHUYYZCYZRTDE-UHFFFAOYSA-N
-A9D5BA15E9554567_FEBB65E60CAC845E_6029_UN,N(CC[S](=O)(=O)O)[S](C1=CC=CC(=C1)C2(C)CCO2)(=O)=O,CLXVBZFWQNLXLR-UHFFFAOYSA-N
-AA20AEF6E0AF0CDD_E4582A8B71070F20_6029_UN,CC(CO)N1CCCN(CC1)[S](C3=C(OC2=C(C=C([N](=O)=O)C=C2)Cl)C=CC=C3)(=O)=O,MWLGKAOJRZHXQZ-UHFFFAOYSA-N
-AC28D6E2B2CF5A48_675398AC87438ABC_6009_UN,O[C@@H]1CCCC=C1CCC(C)(O)CC2CC3CCC2C3,QJFYFNVGRPFJPS-FCWBMGTOSA-N
-AC7D6E6519B353A5_FFC02903C2791792_6031_UN,O(C(=O)CCNC(=C1C(C=CC=N1)=O)O)CCN(C)CC2=C(C=CC(=C2)N)Cl,RAKRXZNROGOKIQ-UHFFFAOYSA-N
-B248FAD382D0351F_238B2585C6997DA0_6031_DP,N1C[Si](C)(C)CC1C(=O)OCC2=C(N=C(CCCC)[N]2CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN=N[NH]5)Cl,YMBCAJRIMITGOR-UHFFFAOYSA-N
-B31D978560EACEC7_82767CEEAC998AEA_7022_UN,C2(=CC1=C(C(=CC=C1)Cl)S2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,UCVHQTFBSWGRIA-UHFFFAOYSA-N
-B33CC5E1EE690800_2DA2C03AB3BA6AD7_6038_UN,CC(C)(C)[Si](C)(C)OCC#CCOC(=O)C1=NC(=O)NN1,AZKOOFLXINNLBD-UHFFFAOYSA-N
-B4F73A04C9161E19_F8246BC5C632D31E_7009_UN,C[P](=O)(C)C1=CC(=CC=C1)[S](=O)(=O)NC(=O)C23CC(Br)(C2)C3,RRPKBAQESSDBGM-UHFFFAOYSA-N
-C5C51AE3C3186B38_C3B058B7EEB02F95_2201_UN,ClC1=CC(=CC=C1)C3=NC2=C(C(=C(C)S2)C)C(=C3C4CC4)C5=CC=C(C=C5)C,MVPGTXVCKXXUMZ-UHFFFAOYSA-N
-C60F42DD118C30FB_C513D3B0536571F9_6031_UN,CC2=C(CC1=C(C=CC=C1)O2)C(=O)OCC3=CC=C(OC)C=C3,BTGKPNRVTIRAQQ-UHFFFAOYSA-N
-CA7AF30066445CDF_8841B1AE0FC42D9A_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)Br,QTNMYPFBVKMXIV-UHFFFAOYSA-N
-CC569943505FC991_AA0DCCA3772BDBE3_7019_UN,CCC3CCC(C=CC1=C(C=CC=C1)C2CCC2)CC3,LKIIJAUBSTYSGH-UHFFFAOYSA-N
-CE31CB07364B0740_13EB4F1C9B3B0E7A_6028_UN,CCN2CCN(N[S](C1=C([N](=O)=O)C=C(C=C1)C(F)(F)F)(=O)=O)C2=O,SQZGEWKMXGZSEG-UHFFFAOYSA-N
-DAB65263C42AE728_748D2AC8F3614D79_7019_UN,C(CC1CC1)=CC2=C(C)C=C(C=C2O)OCC3=CC=CC=C3,XGHDZKRDMPAZHX-UHFFFAOYSA-N
-DFE28138131EB119_FBE78BBB620EDB4D_6029_UN,CC1=CSC(=C(N=O)C#N)N1[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,PURKPCONEDYUDA-UHFFFAOYSA-N
-E27A7608C7784B57_5FD565E6353D1D70_6031_DP,CCOC(=O)CON=C(C(=O)OCC(=C1CNC1)F)C2=N[NH]C=C2,JVMNHZQCYLTARN-UHFFFAOYSA-N
-E7A56A481CD7FA9B_C91573F27A254417_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(CN2CC(C)(C2)C)=O,AQIZKFQYMBLTRY-UHFFFAOYSA-N
-EB25E700B13A17DB_D03FA49F59436B73_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)[N](=O)=O)C(C3=CC2CCC(N2)C3)=O,OZUKLNWCENFATA-UHFFFAOYSA-N
-EE5520ABEA5D12F6_29EC72999FF23E51_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NOC(=C2)C(CBr)=O)(=O)=O,XKKAZXUIUYESNA-UHFFFAOYSA-N
-EFA19BA707CE9FBD_2C22B862E3828CE3_6038_UN,N(CCS[S](=O)(=O)O)C(=O)C23CC1CC(F)(CC(F)(C1)C2)C3,XPZYBLZTYRPQQS-UHFFFAOYSA-N
-F4EEBE7E39762761_6FF8952E5F91A8F5_6041_DP,OC(=O)C(=O)C1=CC=C(S1)NCC2(CNC2)COCC[Si](C)(C)C,DASSOQBRFQLSEZ-UHFFFAOYSA-N
-F52F01B4A9FF623C_0BB137B9922B6510_6041_UN,C1(=CC(=CC=C1)C2(CCC2)C#N)NCCOCC(C)=C,NXUFNJQRRBKNJH-UHFFFAOYSA-N
-F77F48DD2C3E7D8A_CF8F284E9AD36C45_7022_DP,C1(=CC=C(C#N)O1)NCC2(CNC2)COCC[Si](C)(C)C,NGLXHPWCPSFJNW-UHFFFAOYSA-N
-rxn:1:10460:62271,O=C(NCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(I)cc1,FHJUOWMEASFBFQ-UHFFFAOYSA-N
-rxn:1:537:62271,COC(=O)c1ccc(Br)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,GWAHGMKIUPIGKY-UHFFFAOYSA-N
-rxn:1:5434:62271,O=C(O)c1cc(Br)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,CSPXWBDQTJADNK-UHFFFAOYSA-N
-rxn:1:58009:29067,CC1(C)OB(C(F)=Cc2ccc(-c3cn(CC(=O)NC4(C#N)CCCCC4)nn3)cn2)OC1(C)C,HYACREBSFYYEJJ-UHFFFAOYSA-N
-rxn:1:595:62271,CC(C)(OC(=O)Cl)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BQADBPCXZMZYKI-UHFFFAOYSA-N
-rxn:1:60331:11722,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(COC2CCC(N)CC2)nn1,TZHSLEZLFXTESB-UHFFFAOYSA-N
-rxn:1:62052:2555,N=c1c2nc(-n3cc(-c4cccc(S(=O)(=O)F)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,JUNUQFAVBQLETG-UHFFFAOYSA-N
-rxn:1:62052:2707,N=c1c2nc(-n3cc(-c4cccc(S(=O)(=O)Cl)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,RWCMRJVDOUSMOA-UHFFFAOYSA-N
-rxn:1:62052:31628,N=c1c2nc(-n3cc(C(=O)c4ccc(I)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,BSESJGSGGVATTE-UHFFFAOYSA-N
-rxn:1:62052:4157,C=C(Cl)CNCc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,GYQYGLNTVHVJQV-UHFFFAOYSA-N
-rxn:1:62052:9483,N=c1c2nc(-n3cc(COC(=O)Nc4ccccc4Br)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DXPNUTCTUNYMSR-UHFFFAOYSA-N
-rxn:1:62271:14488,CS(=O)(=O)c1cc(Br)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,UQTISRNDMVPGNY-UHFFFAOYSA-N
-rxn:1:62271:2697,O=[N+]([O-])c1cc(Cl)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,FIFBUPHHMNHZRE-UHFFFAOYSA-N
-rxn:1:62271:37773,O=[N+]([O-])c1cc(F)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,JPQXYFKQFSPKJC-UHFFFAOYSA-N
-rxn:1:62271:7317,O=C(O)c1cc(I)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,IMHQYEZCSIDHAJ-UHFFFAOYSA-N
-rxn:2:102307:116028,CC1CCC(NC2CCCCCC2CN(C)CC2CC2)C1(C)C,LZAMWEOAKTYKKO-UHFFFAOYSA-N
-rxn:2:114498:121640,CCC(CN1CCC(N(C)C)CC1)NCc1ccc(C#CC2CC2)s1,OZRFMBBRRHUAGN-UHFFFAOYSA-N
-rxn:2:120015:156863,CCCC(C#CN1CCN(C)CC1)NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C,BCGOCCYUWXXHNC-UHFFFAOYSA-N
-rxn:2:123196:133870,CCN1CC2C(F)(F)C(C1)C1(C)CC(Nc3n[nH]cc3N3CCC(CN(C)C)CC3)CC21C,HJCBGZRZAGSPFL-UHFFFAOYSA-N
-rxn:2:142060:141226,CCC(CNC1CCC1(C)F)N(C)C12CC3CC(CC(C3)C1)C2,NUDYWSIZOFHWIC-UHFFFAOYSA-N
-rxn:2:68402:85978,CCCC1CCC2(CC1)CCC(NC1c3ccccc3CCCC1(C)C)CC2,ORRUHVJMOJTHEU-UHFFFAOYSA-N
-rxn:2:76335:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCCCC2)cnn1C(C)C1CC1,RINLXDMKCFZQLG-UHFFFAOYSA-N
-rxn:2:76707:126600,Cc1ccc(C(C)NCC2(C3CCN(C)CC3)COC2)c(OS(=O)(=O)F)c1,SNTAPMSFIDWXKP-UHFFFAOYSA-N
-rxn:2:79439:103173,CN(CC1CCC(NCC2(C3CC3)CCC2)CC1)C(C)(C)C,ORJGPFKCHGMABA-UHFFFAOYSA-N
-rxn:2:84015:99413,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(O[Si](C)(C)C)CN3CCC1CC3)C2,PEYFJZUTARFQNA-MFLJXGGJSA-M
-rxn:2:84594:118868,CN(C1CCC(NC2C3CCCCCC32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-UHFFFAOYSA-N
-rxn:2:87384:107686,CN(C1CC(NC2CC3CCC3C2)C12CCC2)C(C)(C)C,ZBYXVKBUDPMAHP-UHFFFAOYSA-N
-rxn:2:87384:90094,CN(C1CC(NC2CC[C@H]3CC[C@@H]23)C12CCC2)C(C)(C)C,SWTDOILAETXWMP-LIHZJYIUSA-N
-rxn:2:91416:125145,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-UHFFFAOYSA-N
-rxn:3:11519:51281:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCCO5)CC4)cc3)C2(F)F)nn1,KODIPLYZSKQZRB-UHFFFAOYSA-O
-rxn:3:11519:51283:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccccc3C3(C(=O)NC4CCCO4)CC3)C2(F)F)nn1,RQMGKJVCJVPGKA-UHFFFAOYSA-O
-rxn:4:173280:226844,O=C(c1cc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)ccn1)C(F)(F)F,ASRYEOYVSHVEEV-UHFFFAOYSA-N
-rxn:4:173281:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCC(F)(F)C(F)(F)F)ccn1)C(F)(F)F,PNVAFIXZTRQATE-UHFFFAOYSA-N
-rxn:4:173401:223866,COC(=O)C(C(=O)OC)c1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)ccc1OC,MKWNMZXRFFQKDR-UHFFFAOYSA-N
-rxn:4:173449:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)OC(C)(C)C)c3)cc2)CC1,JUIJUMFKCNGNDP-UHFFFAOYSA-N
-rxn:4:173553:222751,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1NC(=O)OC(C)(C)C,VICSCWGDZGKGKF-UHFFFAOYSA-N
-rxn:4:173572:224566,COC(=O)C1(c2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CCCC1,DKXSQSWQQHQWRR-UHFFFAOYSA-N
-rxn:4:173596:223039,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(F)c(C(=O)NC(C)C)c1,BATBSBCZMATZJC-UHFFFAOYSA-N
-rxn:4:173596:224685,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(C(=O)N2CCC(=O)CC2)c1,XVGQQVKNHVKPGP-UHFFFAOYSA-N
-rxn:4:173636:224274,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)ccc1OC)C2=O,BTCZNWUBIMCTOU-UHFFFAOYSA-N
-rxn:4:173655:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccccc1C=C1Oc2cc(OCC(=O)OC(C)C)ccc2C1=O,MWWAREIHXADNIM-UHFFFAOYSA-N
-rxn:4:173668:224571,COc1cc(C(C)=O)ccc1OC(=O)c1cc2cc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cc(OC)c2oc1=O,MJOBKAXKGMSVDT-UHFFFAOYSA-N
-rxn:4:173675:224846,CCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)C(C)(C)C)cc2)CC1,SIFNHMPADNPOGL-UHFFFAOYSA-N
-rxn:4:173680:225721,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(=O)N(CC)CC)nc3)c(OC(=O)C3CCCCC3)cc12,CNJNYCMOWXWKMP-UHFFFAOYSA-N
-rxn:4:173684:223685,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)cc1)C2=O,UPLMRDSARCEVKV-UHFFFAOYSA-N
-rxn:4:173704:225449,COc1cccc2c(-c3cccc(OC4CCCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,NQPCFFODBNWFCB-UHFFFAOYSA-N
-rxn:4:173723:222447,COc1ccc2c(c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1)N=C(NC(=O)OC(C)(C)C)C2,VDPNZQUINOJQJZ-UHFFFAOYSA-N
-rxn:4:173723:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc(F)c2s1,MFIRPVAIPKQUSQ-UHFFFAOYSA-N
-rxn:4:173723:222604,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCC1,DUTHFDIRCQNHKA-UHFFFAOYSA-N
-rxn:4:173723:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,NZPRHWZGFOAZCK-UHFFFAOYSA-N
-rxn:4:173723:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,GAVQMXHBCSJKIU-UHFFFAOYSA-N
-rxn:4:173723:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,PPELLOLGBZPPMP-UHFFFAOYSA-N
-rxn:4:173723:222801,Cc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC(C)(C)C,ODBFWQOHRJLIMU-UHFFFAOYSA-N
-rxn:4:173723:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,NWEHPBGHVICXHN-UHFFFAOYSA-N
-rxn:4:173723:223696,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,ATZDSDALABBQGC-UHFFFAOYSA-N
-rxn:4:173723:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,XQWKOMXDNCMZQO-UHFFFAOYSA-N
-rxn:4:173723:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,YDWSUTCZIMZENS-UHFFFAOYSA-N
-rxn:4:173723:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,DAYKBLHEXLSXHS-UHFFFAOYSA-N
-rxn:4:173723:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,FIFKPAVMYTYIAB-UHFFFAOYSA-N
-rxn:4:173723:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)C1,JDZJSNANOIEARV-UHFFFAOYSA-N
-rxn:4:173723:224336,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)cc1,QEZGVVXCPWOMGX-UHFFFAOYSA-N
-rxn:4:173723:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,AELIHPKXKNADEM-UHFFFAOYSA-N
-rxn:4:173723:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,VVMNQZLZHOLWOJ-UHFFFAOYSA-N
-rxn:4:173723:224425,CCCC1CCC(c2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,VJYROEJXLJVKFW-UHFFFAOYSA-N
-rxn:4:173723:224481,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,VIRXOUOMIDVQBT-UHFFFAOYSA-N
-rxn:4:173723:224573,CC1CCCCN1c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C#N)c1,YBZUIUWKHXFEHB-UHFFFAOYSA-N
-rxn:4:173723:224599,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)cc1,LYXVXLCMJSTCMH-UHFFFAOYSA-N
-rxn:4:173723:224605,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(OC)c1,YTLPJSUVHWKSJQ-UHFFFAOYSA-N
-rxn:4:173723:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cn1,CWTUMFMGUZZHNK-UHFFFAOYSA-N
-rxn:4:173723:224657,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,WFTBYNQFWABVAV-UHFFFAOYSA-N
-rxn:4:173723:224667,CN1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,LHZNUECQFQOMTD-UHFFFAOYSA-N
-rxn:4:173723:224710,CCCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,NLJDLORKHCUNHT-UHFFFAOYSA-N
-rxn:4:173723:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1C,OADRSSOGBSLFIK-UHFFFAOYSA-N
-rxn:4:173723:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1C,YJUBMBKXBSTDRQ-UHFFFAOYSA-N
-rxn:4:173723:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,HVXHFYLLOTVWSZ-UHFFFAOYSA-N
-rxn:4:173723:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,VWOFJRGLGQWLIV-UHFFFAOYSA-N
-rxn:4:173723:224778,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2c(F)cc(OC3CCOCC3)cc2F)cc1,FUECVWPFHHXUIM-UHFFFAOYSA-N
-rxn:4:173723:224780,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cc1,LYBQTNAVLBFUKF-UHFFFAOYSA-N
-rxn:4:173723:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,AQMMQVQDFWFBSQ-UHFFFAOYSA-N
-rxn:4:173723:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F,IXJLXRGTBRAEOY-UHFFFAOYSA-N
-rxn:4:173723:224830,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1,VOPNAMGGKGTLMK-UHFFFAOYSA-N
-rxn:4:173723:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cs1,SHCOWFXXGJAVFQ-UHFFFAOYSA-N
-rxn:4:173759:222538,CCOC(=O)COc1cc(F)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1F,IWCRQDHUTMUMDH-UHFFFAOYSA-N
-rxn:4:173800:223992,Cc1ccc(-c2cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,IVSYTCHQDHYFCM-UHFFFAOYSA-N
-rxn:4:173802:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,VNMSRWXNKNZZAR-GAZRBOARSA-N
-rxn:4:173802:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)cc1,XAUFNHYMMAXZRF-UHFFFAOYSA-N
-rxn:4:173802:222448,O=C(NCc1ccccc1)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,ZSXPSESAFFUAQW-UHFFFAOYSA-N
-rxn:4:173802:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2c1,VCTBSLWWAAPIHM-UHFFFAOYSA-N
-rxn:4:173802:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,MQNDGWKKCMSAOU-UHFFFAOYSA-N
-rxn:4:173802:222742,O=S(=O)(OC(c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1)C(F)(F)F)C(F)(F)F,XYQJWYQFVHMARY-UHFFFAOYSA-N
-rxn:4:173802:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c1,ANMSFWKLTAKAKE-UHFFFAOYSA-N
-rxn:4:173802:222808,CC(C)NC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,POKWCJOTCHMWTB-UHFFFAOYSA-N
-rxn:4:173802:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,NDIHNJBRLLRTKK-UHFFFAOYSA-N
-rxn:4:173802:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VMMXKRBLDVPLEZ-UHFFFAOYSA-N
-rxn:4:173802:222838,CC(C)(C)C(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,IJGJPDDNKPQUPV-UHFFFAOYSA-N
-rxn:4:173802:222839,O=S(=O)(OC(c1ccc(-c2ccc(NCC3CCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,JSQWGNJVBMWKRT-UHFFFAOYSA-N
-rxn:4:173802:222842,O=C(NC1CCCC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,WUEBTKVMECUSQE-UHFFFAOYSA-N
-rxn:4:173802:222845,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCNCC1,NUKAJFIYVCAPPL-UHFFFAOYSA-N
-rxn:4:173802:222851,CCc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CCNCC2)n1,AQNRRUDFWHRPIZ-UHFFFAOYSA-N
-rxn:4:173802:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl,YTAARQPPRGWUST-UHFFFAOYSA-N
-rxn:4:173802:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,RZPGTFLTKVTKQZ-UHFFFAOYSA-N
-rxn:4:173802:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,QXUNMOWJRNWDBX-UHFFFAOYSA-N
-rxn:4:173802:222888,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCNCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,JIPUFVFTWRLWDC-UHFFFAOYSA-N
-rxn:4:173802:222957,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CCCNC2)c1,OVRCJMJQXWRTPA-UHFFFAOYSA-N
-rxn:4:173802:222976,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1C(=O)NC1CC1,PRIDYZUFSBPCNS-UHFFFAOYSA-N
-rxn:4:173802:223000,O=S(=O)(OC(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,WRMUCOYJCPHFAD-UHFFFAOYSA-N
-rxn:4:173802:223001,O=S(=O)(OC(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1)C(F)(F)F)C(F)(F)F,RLDFDPRCOZAUKQ-UHFFFAOYSA-N
-rxn:4:173802:223053,CC(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,CSRFSGOQNZRALT-UHFFFAOYSA-N
-rxn:4:173802:223056,O=S(=O)(OC(c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1)C(F)(F)F)C(F)(F)F,IPQGBEKCGCLYAO-UHFFFAOYSA-N
-rxn:4:173802:223095,CC(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1[N+](=O)[O-],HXCDQAOVUIALNA-UHFFFAOYSA-N
-rxn:4:173802:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,HCEHWLCMMZZRBD-UHFFFAOYSA-N
-rxn:4:173802:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)C1,UXIQAHGURXXSDX-UHFFFAOYSA-N
-rxn:4:173802:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c2ccccc12,FJALDEGYFLAEPS-UHFFFAOYSA-N
-rxn:4:173802:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,PXEJBOGPFXXWPW-UHFFFAOYSA-N
-rxn:4:173802:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2F)CC1,PYZCFXAESMXVMI-UHFFFAOYSA-N
-rxn:4:173802:223976,O=S(=O)(OC(c1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,SUMAJZHSLZIEHY-UHFFFAOYSA-N
-rxn:4:173802:224080,O=S(=O)(OC(c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,XSMMMDAVLVRDDB-UHFFFAOYSA-N
-rxn:4:173802:224125,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1)C(F)(F)F)C(F)(F)F,AYEIPUYCODBBSS-UHFFFAOYSA-N
-rxn:4:173802:224129,CN(C(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)C1CCCCC1,PPVCDBFHMVMTAM-UHFFFAOYSA-N
-rxn:4:173802:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,BLLZFQOPZPTYAK-UHFFFAOYSA-N
-rxn:4:173802:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GCSHVYPAGQLPQW-UHFFFAOYSA-N
-rxn:4:173802:224246,CC1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2F)CC1,RGAXMDHAFIJJQI-UHFFFAOYSA-N
-rxn:4:173802:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,QQWWPFVUPPFQAW-UHFFFAOYSA-N
-rxn:4:173802:224285,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,FQZBWCNAIBQLHS-UHFFFAOYSA-N
-rxn:4:173802:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,YWOGOLOUKBUNHH-UHFFFAOYSA-N
-rxn:4:173802:224355,O=S(=O)(OC(c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1)C(F)(F)F)C(F)(F)F,RZYGODPIFXICGA-UHFFFAOYSA-N
-rxn:4:173802:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,XOGKOHQVHHMFHE-UHFFFAOYSA-N
-rxn:4:173802:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,RAIAUMAMCNACJA-UHFFFAOYSA-N
-rxn:4:173802:224406,O=S(=O)(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCOCC1,DJEJFJDJYVAQOZ-UHFFFAOYSA-N
-rxn:4:173802:224462,O=S(=O)(OC(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C(F)(F)F)C(F)(F)F,UWEFRXZRDLYXEX-UHFFFAOYSA-N
-rxn:4:173802:224482,O=S(=O)(OC(c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,YASKUHYSIAGRLQ-UHFFFAOYSA-N
-rxn:4:173802:224572,CC1CCCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(C#N)c2)C1,MHZBLBRIGONLEW-UHFFFAOYSA-N
-rxn:4:173802:224573,CC1CCCCN1c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C#N)c1,NXLGZCABCVVHFO-UHFFFAOYSA-N
-rxn:4:173802:224597,O=S(=O)(OC(c1ccc(-c2cc(C3CC3)cc(N3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,PZLXTRAWYVWTSK-UHFFFAOYSA-N
-rxn:4:173802:224605,CCN(CC)C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(OC)c1,FBMLJJMSTFWNNL-UHFFFAOYSA-N
-rxn:4:173802:224619,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,GARBMKOITWAAAO-UHFFFAOYSA-N
-rxn:4:173802:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,MWSSKWRLOYRCJQ-UHFFFAOYSA-N
-rxn:4:173802:224621,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,QAYYRFPGCMMUDG-UHFFFAOYSA-N
-rxn:4:173802:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,AEQDHJDYVLWTMZ-UHFFFAOYSA-N
-rxn:4:173802:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,GVJZKUZHWORRBT-UHFFFAOYSA-N
-rxn:4:173802:224691,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CC2(COC2)C1,ITYJEIMKCLMBEB-UHFFFAOYSA-N
-rxn:4:173802:224718,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,LLPCOTNUTXOKRC-UHFFFAOYSA-N
-rxn:4:173802:224734,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cc1)C(F)(F)F)C(F)(F)F,LZIPTBQBAAIXMI-UHFFFAOYSA-N
-rxn:4:173802:224759,O=C(c1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1,ZNYBKBFYKKVQEO-UHFFFAOYSA-N
-rxn:4:173802:224767,O=C(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F)N1CCOCC1,WNRNOEVHBMJNIM-UHFFFAOYSA-N
-rxn:4:173802:224770,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(S(=O)(=O)N2CCCC2)c1,AGKBAARPHKVLCB-UHFFFAOYSA-N
-rxn:4:173802:224820,O=S(=O)(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1,JLNBJHAIFLQMMB-UHFFFAOYSA-N
-rxn:4:173802:224826,CCOC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1C(F)(F)F,VMHZKGWJSWUNOZ-UHFFFAOYSA-N
-rxn:4:173802:224891,O=S(=O)(OC(c1ccc(-c2cc(N3CCCC3)ccc2C2CC2)cc1)C(F)(F)F)C(F)(F)F,VTUWNXCSPXYDKT-UHFFFAOYSA-N
-rxn:4:173802:224934,O=S(=O)(OC(c1ccc(-c2cccc(OCCN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,FPIRUGPTYZFGKM-UHFFFAOYSA-N
-rxn:4:173802:224964,O=S(=O)(OC(c1ccc(-c2ccc(COC3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,LAQQXBJKIMQIOI-UHFFFAOYSA-N
-rxn:4:173802:224991,O=S(=O)(OC(c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,GERNHPJOPJRXIO-UHFFFAOYSA-N
-rxn:4:173802:225010,O=S(=O)(OC(c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,HKROBWZOJBBAAW-UHFFFAOYSA-N
-rxn:4:173802:225044,C[Si](C)(C)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([Si](C)(C)C)c1,DPXTVIKUKHIMJF-UHFFFAOYSA-N
-rxn:4:173802:225086,CN(C)CCCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl,ASQRDQYIJSIGHM-UHFFFAOYSA-N
-rxn:4:173802:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ZRKXVZSLRNNUDT-UHFFFAOYSA-N
-rxn:4:173802:225113,CC(C)(C)OOC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,LOUJLOGPJKQPIY-UHFFFAOYSA-N
-rxn:4:173802:225144,N#Cc1cc(N2CCOCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,UIUCCYUDBLIRBL-UHFFFAOYSA-N
-rxn:4:173802:225167,O=C(c1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCC1,GVJJBPPMUFEMAB-UHFFFAOYSA-N
-rxn:4:173802:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,ULBJJDMIGHMTMH-UHFFFAOYSA-N
-rxn:4:173802:225220,CC1CCCCN1c1ncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl,JYCSSINFWUTUOP-UHFFFAOYSA-N
-rxn:4:173802:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,SPLIMSNAVOZGNR-UHFFFAOYSA-N
-rxn:4:173802:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,QSTHQZZHZWOVAP-UHFFFAOYSA-N
-rxn:4:173802:225325,CCOC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,HOQSGZSCBFVFEH-UHFFFAOYSA-N
-rxn:4:173802:225329,N#Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OCC(F)(F)F,PCIPSTJBLIZWKU-UHFFFAOYSA-N
-rxn:4:173802:225357,CCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c(C(F)(F)F)c1,HEBSTPPLBCRRDZ-UHFFFAOYSA-N
-rxn:4:173802:225358,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1,PKVFLHCNSDBBKA-UHFFFAOYSA-N
-rxn:4:173802:225370,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)n1,XPKCEUOHGINBEA-UHFFFAOYSA-N
-rxn:4:173802:225371,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1C(F)(F)F,YJBUTTVNCVWWNM-UHFFFAOYSA-N
-rxn:4:173802:225387,O=[N+]([O-])c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c(C(F)(F)F)c1,UYXFUUBNSXQDFB-UHFFFAOYSA-N
-rxn:4:173802:225437,O=S(=O)(OC(c1ccc(-c2cccc(CN3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,ZOUAEMKILOAMKO-UHFFFAOYSA-N
-rxn:4:173802:225439,CC(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCC1,JJQUPGQTGMAIJE-UHFFFAOYSA-N
-rxn:4:173802:225450,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)C1CCCC1,XFHAIJOCQDAKOV-UHFFFAOYSA-N
-rxn:4:173802:225523,CCOC(=O)CCc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VVSVZFXXUGTOPC-UHFFFAOYSA-N
-rxn:4:173802:225540,CC(C)COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1C#N,DXDLKFCJKJXZSV-UHFFFAOYSA-N
-rxn:4:173802:225541,CCN(CC)Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,HZKOUCUKSVVSMD-UHFFFAOYSA-N
-rxn:4:173802:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,KTBXLNZODNFVKB-UHFFFAOYSA-N
-rxn:4:173802:225559,O=S(=O)(OC(c1ccc(-c2ccc(OCC3CCOC3)cc2)cc1)C(F)(F)F)C(F)(F)F,PGKLBSXQQRCVRM-UHFFFAOYSA-N
-rxn:4:173802:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,LAZRFLZVWAXRHP-UHFFFAOYSA-N
-rxn:4:173802:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,BFLGOJCUACMFBS-UHFFFAOYSA-N
-rxn:4:173802:225573,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CC2)c1,BBDBRJVVZXSIHB-UHFFFAOYSA-N
-rxn:4:173802:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,IUDSBXILJJLDGY-UHFFFAOYSA-N
-rxn:4:173802:225581,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,XMEKGQNIZBWKLF-UHFFFAOYSA-N
-rxn:4:173802:225598,O=S(=O)(OC(c1ccc(-c2cccc(CN3CCSCC3)c2)cc1)C(F)(F)F)C(F)(F)F,HJQIISZWHYWRCX-UHFFFAOYSA-N
-rxn:4:173802:225607,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1)N1CCCCC1,PKQNLEZXOGSXNV-UHFFFAOYSA-N
-rxn:4:173802:225618,O=S(=O)(OC(c1ccc(-c2cccc(OC3CCCCO3)c2)cc1)C(F)(F)F)C(F)(F)F,JWAVTLGUOYXQNP-UHFFFAOYSA-N
-rxn:4:173802:225623,O=S(=O)(OC(c1ccc(-c2cccc(OC3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,CHNBKKDGCYYZCI-UHFFFAOYSA-N
-rxn:4:173802:225709,CN(C)CCCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,UJSJCVKDPJFDQO-UHFFFAOYSA-N
-rxn:4:173802:225721,CCN(CC)C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,HQJJVVAZIMAKEX-UHFFFAOYSA-N
-rxn:4:173802:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,XXAXFGLSECWDIF-UHFFFAOYSA-N
-rxn:4:173802:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,MHDKWAWMULPWNI-UHFFFAOYSA-N
-rxn:4:173802:225757,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(C)C)n1,MPBYJRMQQQHJKL-UHFFFAOYSA-N
-rxn:4:173802:225763,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C)cc1OC,BHYFCEYKWNFLDK-UHFFFAOYSA-N
-rxn:4:173802:225771,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1OC(C)C,CTVJWYHTVWBJLR-UHFFFAOYSA-N
-rxn:4:173802:225774,CC(C)OC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,SGRKMZMKSLALNZ-UHFFFAOYSA-N
-rxn:4:173802:225776,CCCc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1,GLNDOFYCKBGSBQ-UHFFFAOYSA-N
-rxn:4:173802:225784,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,GQRGBGBIIFIADB-UHFFFAOYSA-N
-rxn:4:173802:225808,O=S(=O)(OC(c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,FBVJAKVEZUMIKP-UHFFFAOYSA-N
-rxn:4:173802:225871,O=C1C=CC(=O)N1c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GNEKDMDTUVTGNF-UHFFFAOYSA-N
-rxn:4:173802:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,ABMMXJVTKGVCTR-UHFFFAOYSA-N
-rxn:4:173802:225934,O=S(=O)(OC(c1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1)C(F)(F)F)C(F)(F)F,XAOBWDLFACGEQW-UHFFFAOYSA-N
-rxn:4:173802:225940,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1)C(F)(F)F)C(F)(F)F,BJEVHMMPTPAIJW-UHFFFAOYSA-N
-rxn:4:173802:225941,O=S(=O)(OC(c1ccc(-c2cnc(C3CC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,AVZAARMWOGHRKU-UHFFFAOYSA-N
-rxn:4:173802:225945,O=S(=O)(OC(c1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,QAUIDIAJQGZQRI-UHFFFAOYSA-N
-rxn:4:173802:225946,CC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1,IUAAOGRBMSWYAA-UHFFFAOYSA-N
-rxn:4:173802:225985,O=S1(=O)CCCN1c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,JVRQPZCLUAZRMM-UHFFFAOYSA-N
-rxn:4:173802:225995,N#Cc1ccc(OC(F)(F)F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,DDAWHOQCSVCPBF-UHFFFAOYSA-N
-rxn:4:173802:225998,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,IUNIAXPDUWIZFR-UHFFFAOYSA-N
-rxn:4:173802:226005,O=S(=O)(OC(c1ccc(-c2ccc(OCC(F)(F)F)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,TXLJQZOIACAHDX-UHFFFAOYSA-N
-rxn:4:173802:226012,O=S(=O)(OC(c1ccc(-c2ccc(OCC(F)(F)F)cc2F)cc1)C(F)(F)F)C(F)(F)F,CTGCWRKPXBQZDQ-UHFFFAOYSA-N
-rxn:4:173802:226043,COc1c(F)cc(Cl)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1[N+](=O)[O-],YKFCDQAXAJZINF-UHFFFAOYSA-N
-rxn:4:173802:226051,O=S(=O)(OC(c1ccc(-c2c(OC(F)(F)F)ccc(F)c2F)cc1)C(F)(F)F)C(F)(F)F,AXGLRUTWNKAVAL-UHFFFAOYSA-N
-rxn:4:173802:226054,O=S(=O)(OC(c1ccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1)C(F)(F)F)C(F)(F)F,KHOLXBGFKFIRHH-UHFFFAOYSA-N
-rxn:4:173802:226330,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1)N1CCCC1,WZUAAMJYZUSSOO-UHFFFAOYSA-N
-rxn:4:174159:223573,COC(=O)c1cc(F)c(OCC(C)C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,OUZOLLUNCBEADV-UHFFFAOYSA-N
-rxn:4:174161:224308,COC(=O)c1cc(F)c(OCC(C)C)cc1-c1cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c1,HVTLZFFXXMMCSB-UHFFFAOYSA-N
-rxn:4:174225:223559,COc1cc(C(=O)OCc2ccccc2)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PKRDCMMXLKMNIH-UHFFFAOYSA-N
-rxn:4:174248:223840,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,FGQBZFSCWHJBLZ-UHFFFAOYSA-N
-rxn:4:174305:222647,CCOC(=O)CC1CC(c2cccc(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)c2)C1,DSXIRTLVEONKDX-UHFFFAOYSA-N
-rxn:4:174308:224162,COC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c(C)c1,JWQCHBKNQPWPSN-UHFFFAOYSA-N
-rxn:4:174402:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4ccccc4OC)c(C(=O)OC)c3)cc2)CC1,LOCSWJWTXRYWMD-UHFFFAOYSA-N
-rxn:4:174406:223846,COC(=O)C1(c2ccc(-c3cc(C)cc(C4CC5CCC4(C)C5(C)C)c3)cc2)CC(OC)(OC)C1,OBCMOFIEPYECMI-UHFFFAOYSA-N
-rxn:4:174407:222637,COC(=O)C1(c2cccc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)c2)CC(OC)(OC)C1,VLYYNTDQEZFRQJ-UHFFFAOYSA-N
-rxn:4:174410:223559,CCCCc1ccc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1,PCUSPUIHZSPYPH-UHFFFAOYSA-N
-rxn:4:174516:224161,CC(C)[Si](Oc1ccccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)(C(C)C)C(C)C,XQZQRGFVKSWVDC-UHFFFAOYSA-N
-rxn:4:174522:222467,CC(C)[Si](C#Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)cc1)(C(C)C)C(C)C,OHQJAIRZPYJFTC-UHFFFAOYSA-N
-rxn:4:174522:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1,ZZZJNXGCOWOGCO-UHFFFAOYSA-N
-rxn:4:174524:224198,CCN1CCN(Cc2ccc(-c3cccc(C=Cc4cc(OC)c(C5OCCO5)cc4C(F)(F)F)c3C)c(F)c2)CC1,KQNUQQMECPFBSY-UHFFFAOYSA-N
-rxn:4:174624:222973,COc1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,BCMPPNUESRXILQ-UHFFFAOYSA-N
-rxn:4:174635:223541,COc1ccc(C2=C(Sc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c3ccc(OC)cc3S2=O)cc1,SNWQLDPJQDACAR-UHFFFAOYSA-N
-rxn:4:174647:223877,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3cc(C)c(OCc4cccc(Cl)c4)c(C)c3)cc1)C(=O)c1ccccc1C2=O,DIGLYPSPTCUAHM-UHFFFAOYSA-N
-rxn:4:174656:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c1,RZEZNQDIVQPONQ-UHFFFAOYSA-N
-rxn:4:174656:224594,CC(=O)N1CCCCC1c1ccccc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,MEGSLZRHJAUVBM-UHFFFAOYSA-N
-rxn:4:174816:223491,CCOc1ccc(OC(F)(F)F)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,VBAMNCYLZLRARH-UHFFFAOYSA-N
-rxn:4:175896:224420,COC(=O)c1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c(OC2CCCCO2)c1,BIPVWWQDGSVIHW-UHFFFAOYSA-N
-rxn:4:175935:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C4(C(=O)OCC)CCCC4)c3)cc2)CC1,VNYUWJCMSCYTGY-RQNOJGIXSA-N
-rxn:4:175989:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(OCC2CCCCC2)cc1C(F)F,NMSXACWMCAGIFH-UHFFFAOYSA-N
-rxn:4:176005:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCc4ccccc4)c(Cl)c3C3OCCO3)cc2)CC1,KNQQUIUSFWMIEK-UHFFFAOYSA-N
-rxn:4:176014:222646,CC(=O)Oc1c(C(C)C)cc(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1C(C)C,NPDRYJDPRRMUAU-UHFFFAOYSA-N
-rxn:4:176018:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c(F)cc1OCC1CCCCC1,GSQNADPQYTYLQV-UHFFFAOYSA-N
-rxn:4:176117:223728,CCCCCC1CCC(c2ccc(-c3cc(C)c(S(=O)(=O)Oc4cccc(C(C)=O)c4)cc3C)c(F)c2)CC1,DWJNYPDQKCWJSF-UHFFFAOYSA-N
-rxn:4:176118:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(Cl)c4F)c3)cc2)CC1,DFYAZPFJYKQPAR-UHFFFAOYSA-N
-rxn:4:176126:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC(=O)C4=C(c5ccccc5)S(=O)(=O)CCO4)cc3)cc2)CC1,HSOUMSHJBQGVAA-UHFFFAOYSA-N
-rxn:4:176140:225265,CCCCOc1c(F)cc(F)c(-c2ccc(OCC3CCCCC3)c(C(C)(F)F)c2)c1F,NRVBMOLCSQVSMQ-UHFFFAOYSA-N
-rxn:4:176204:224702,CCOC(=O)C1=Cc2cc(-c3cc(F)c(OC4CCCC4)c(F)c3C)cc(OC)c2OC1,LROOKKXPPOPVID-UHFFFAOYSA-N
-rxn:4:176207:224065,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)ccc2O1,ULTMOOIZUKLHCW-AREMUKBSSA-N
-rxn:4:176247:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)Oc4ccc5c(c4)OC(=Cc4ccco4)C5=O)cc3)cc2F)CC1,NTDJXTFZXITEEO-UHFFFAOYSA-N
-rxn:4:176254:222545,CCOc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)ccc1OC)C2=O,RENXIOFOPXRFBZ-UHFFFAOYSA-N
-rxn:4:176308:226844,O=C1C(=Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,IIIUYCZXVRZUDO-UHFFFAOYSA-N
-rxn:4:176316:223279,FC(F)(F)COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C1C2CC3CC(C2)CC1C3,DYCRPHGZNYXUPE-UHFFFAOYSA-N
-rxn:4:176317:223279,FC(F)(F)COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C12CC3CC(CC(C3)C1)C2,MGRXIHAESMTTRI-UHFFFAOYSA-N
-rxn:4:177690:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OC(=O)C(C)(C)C)cc3)cc21,ZSXAYYCRGCJOIQ-UHFFFAOYSA-N
-rxn:4:178094:223815,COc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1OC1CCCC1,VTQQFMMYGDYMKN-UHFFFAOYSA-N
-rxn:4:178136:223489,CCc1ccc(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)cc1,RPZWRRRYLQITIA-UHFFFAOYSA-N
-rxn:4:178248:223583,COC(=O)c1ccc2c(-c3ccc(C4(C(=O)OC)CCOCC4)cc3)cn(C(=O)OC(C)(C)C)c2c1,RKVYVVFOBNZVMV-UHFFFAOYSA-N
-rxn:4:178288:222636,COC(=O)C1(c2ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)CCC(=O)CC1,MMSQPWLXSGIDQY-GOSISDBHSA-N
-rxn:4:178330:222795,COC(=O)C1(c2ccc(-c3ccc(NC(=O)N4CCOCC4)cc3)cc2)CC2(C1)OCCO2,CEERYCSSDZATIG-UHFFFAOYSA-N
-rxn:4:178381:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,WTKXVJKGXSQWHL-UHFFFAOYSA-N
-rxn:4:178381:222894,CCCCS(=O)(=O)Nc1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,FEHSHEWGUXFFTI-UHFFFAOYSA-N
-rxn:4:178381:223690,COC(=O)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cn1S(=O)(=O)c1ccc(C)cc1,VSIZCSUVTDOZFE-UHFFFAOYSA-N
-rxn:4:178384:229223,Cc1csc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YZUMWHUCRPMRCC-UHFFFAOYSA-N
-rxn:4:178597:227318,CC(C)Cc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1Cl,PPLWIAZSQJAYQB-UHFFFAOYSA-N
-rxn:4:178597:228153,COc1cc(OC)cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,YLSLHKRHACUOJU-UHFFFAOYSA-N
-rxn:4:179913:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cc(Cl)c(C4OCCO4)cc3C(F)(F)F)c2)C1,KJXGYVDYWOBJDM-UHFFFAOYSA-N
-rxn:4:180269:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1SCCCS1,HZUCVXTYGNLPPX-UHFFFAOYSA-N
-rxn:4:180272:223753,Cc1ccc(-c2cccc(SC3CCCCC3=O)c2)cc1OCCCN1CCN(C)CC1,YXLMFAGLNLKGGZ-UHFFFAOYSA-N
-rxn:4:180414:224612,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C(=O)O1,AZZWJLZQGZDHHL-UHFFFAOYSA-N
-rxn:4:180417:223669,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C)c1OC(C)(C)C,MSQSQEVNJIKGND-UHFFFAOYSA-N
-rxn:4:180480:223897,Cc1ccc(-c2cc(C)c(OC3CCCCO3)c(C)c2)cc1OCCCN1CCOCC1,RIODANBUQOBHTL-UHFFFAOYSA-N
-rxn:4:180815:222857,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCNCC2)c1,AYLLJJGOISLLSW-UHFFFAOYSA-N
-rxn:4:180815:224247,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,ZBBMVGLVYLXRDL-UHFFFAOYSA-N
-rxn:4:180815:224665,COc1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)cc1C12CC3CC(CC(C3)C1)C2,TYIPNEFEICSXNK-UHFFFAOYSA-N
-rxn:4:180815:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,JBNOVVZMQLWJAI-UHFFFAOYSA-N
-rxn:4:180815:224958,COc1ccc(-c2cccc(OCC3CCCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,IALBAOGFJDUJMY-UHFFFAOYSA-N
-rxn:4:180856:222604,COc1ccc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1S(=O)(=O)NC1CCCC1,NFRYKLBXYVKKLY-UHFFFAOYSA-N
-rxn:4:182282:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c2c1CCCC2=O,RNUXGRNSNASILF-UHFFFAOYSA-N
-rxn:4:182359:224653,COC1CCC2(CC1)Oc1ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc1C2=O,MZDXLAHKVNIWSO-UHFFFAOYSA-N
-rxn:4:182372:223939,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc1C2=O,ZSRUJNPNHXNVPS-BFZJZIARSA-N
-rxn:4:182376:222891,COc1cc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc(C2CCNCC2)n1,YJIRWPONDRLYDT-OSELZAKSSA-N
-rxn:4:182376:224687,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)cc3C2=O)C[C@@H]1C,FVDXWOFKMKKZTN-UBHXRJOGSA-N
-rxn:4:182376:225181,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(CN5CCOCC5)c4F)cc3C2=O)C[C@@H]1C,NZVXJZUUYJGJHX-CCMMMYSXSA-N
-rxn:4:182376:225440,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C5(C#N)CCCC5)cc4)cc3C2=O)C[C@@H]1C,XUYSJRAOZXZEJG-QYWINIKXSA-N
-rxn:4:183152:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)S(=O)(=O)CCOC4)ccc2F)CC1,MPULZJPJIUJANJ-UHFFFAOYSA-N
-rxn:4:183269:222539,Cc1cc2c(cc1-c1ccc3c(c1)CC(NC(=O)OC(C)(C)C)C3)C(C)(C)C=CC2(C)C,DQTCBCOXMRQJMM-UHFFFAOYSA-N
-rxn:4:183271:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,RQIGOTSMZRPDQF-UHFFFAOYSA-N
-rxn:4:183274:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2)CC1,RYXSKEYWZJBKPN-UHFFFAOYSA-N
-rxn:4:183274:228402,COc1c(Cl)ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,LSUISQUCUDIZCS-UHFFFAOYSA-N
-rxn:4:183379:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)c(C(F)(F)F)c1,GBKAIVSPHROUIM-UHFFFAOYSA-N
-rxn:4:183490:223941,CCOC(=O)Cc1c(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cc(C#N)cc1C(F)F,SDPDERJWLDLNDA-UHFFFAOYSA-N
-rxn:4:183525:225217,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2cnc(N3CCCC(C)C3)cc2F)c1C#N,HSZGZEURLSWJTG-UHFFFAOYSA-N
-rxn:4:183532:222674,CCOC(=O)Cc1c(C#N)ccc(-c2cccc(C(=O)NC3CCCCC3)c2F)c1C(F)(F)F,ITKTXZSABUJYDV-UHFFFAOYSA-N
-rxn:4:183575:222519,CCOC(=O)Cc1cc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c(C#N)cc1OC,BPKGXCXJCQBSBK-UHFFFAOYSA-N
-rxn:4:183610:224810,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CCC1,LTFTUIVZHGUQEV-UHFFFAOYSA-N
-rxn:4:183668:222908,CC(C)(C)OC(=O)Nc1cncc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1,NULSHIUGTQYQLA-UHFFFAOYSA-N
-rxn:4:183694:226844,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,PMKLLFTVNZIQJK-UHFFFAOYSA-N
-rxn:4:183696:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC1,UIZCPUVSCFUALB-UHFFFAOYSA-N
-rxn:4:183760:223557,COCCOc1cc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)N1CCCC1,ZBFGUIAWHNXIDM-UHFFFAOYSA-N
-rxn:4:183769:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCCCC1,DEFIERQPPJTRSK-UHFFFAOYSA-N
-rxn:4:183789:224395,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c(F)c1,INGCVSJSPQCGNA-UHFFFAOYSA-N
-rxn:4:183802:226844,CN(Cc1cc(C(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)C(=O)OC(C)(C)C,KMQPGTJMKGUXKT-UHFFFAOYSA-N
-rxn:4:183804:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)cn1,VXCQIJCMGSONIF-UHFFFAOYSA-N
-rxn:4:183808:226279,Cc1cnc(OCC(C)C)c(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,YOAYONYNGIRRJH-UHFFFAOYSA-N
-rxn:4:183809:222626,Cc1ccc(NC(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCC(F)(F)C3)cc2)cc1,RLWMRPBQHULBDX-UHFFFAOYSA-N
-rxn:4:183833:226844,C#Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,FYAKVKJOWLRCEB-UHFFFAOYSA-N
-rxn:4:183837:226844,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,LNIGDJKIQIMYOP-UHFFFAOYSA-N
-rxn:4:183839:226844,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,IVEMWHWGIDCDOW-UHFFFAOYSA-N
-rxn:4:183874:226844,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)C1COC1,WWCTVCGKDARHGQ-UHFFFAOYSA-N
-rxn:4:183876:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,XOSHPFJRIKEGOV-UHFFFAOYSA-N
-rxn:4:183884:226844,CC(C)(C)OC(=O)N1CC(COc2c(F)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,QLBWFLXSECTUFP-UHFFFAOYSA-N
-rxn:4:183890:226844,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,UJHNUYXAOANVBI-UHFFFAOYSA-N
-rxn:4:183892:225061,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(N3CCC(C)CC3)cc2F)c1,ZFNOCSGLLXTIOD-UHFFFAOYSA-N
-rxn:4:183892:227554,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cccc(F)c2C(=O)OC)c1,NUBNOUAFURVTCY-UHFFFAOYSA-N
-rxn:4:183903:226844,CC(C)(C)OC(=O)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1C#C[Si](C)(C)C,KSVZALCAXQMMMS-UHFFFAOYSA-N
-rxn:4:183910:226844,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PJQIXOHUCZMCNF-UHFFFAOYSA-N
-rxn:4:183915:223279,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,ODRCUPJUSUIVDA-UHFFFAOYSA-N
-rxn:4:183915:226844,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,GOUWLQCBNRTQAJ-UHFFFAOYSA-N
-rxn:4:183922:224612,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccc(OCCN2CCOCC2)cc1,NRTYXRAAKSYWNE-UHFFFAOYSA-N
-rxn:4:183923:222684,O=C(COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,XNHBDSVATTWDPN-UHFFFAOYSA-N
-rxn:4:183928:224272,CC(c1ccc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,YEOLNLLFEHYRPP-UHFFFAOYSA-N
-rxn:4:183930:225688,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cnc(C3CCCCC3)c(Cl)c2)c1,UKJVXZUJTCKFKI-UHFFFAOYSA-N
-rxn:4:183938:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1F,KMVQECWESSCGPF-UHFFFAOYSA-N
-rxn:4:183944:226844,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MRAIPSGPTMPYPE-UHFFFAOYSA-N
-rxn:4:183945:223895,CCN1CCN(CCOc2ccc(-c3cccc(CC4C(=O)CCN4C(=O)OCc4ccccc4)c3)cc2)CC1,PJRQOPISWFVIJN-UHFFFAOYSA-N
-rxn:4:183964:226844,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QDIHVCNXDPCDCU-UHFFFAOYSA-N
-rxn:4:183965:226844,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QMAWBVGBPXOEJV-UHFFFAOYSA-N
-rxn:4:183969:223279,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(OC)c2)CC1,KPWOPMHVIGPQFM-UHFFFAOYSA-N
-rxn:4:183981:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc4)cc3)ccc2F)CC1,CGWVQLMHGQXYMC-UHFFFAOYSA-N
-rxn:4:183986:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,WWNAFPPCTPDBGA-UHFFFAOYSA-N
-rxn:4:183989:227114,Cc1cc(C2CC2)cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1Cl,AFJMMLQOXPMCLQ-QHCPKHFHSA-N
-rxn:4:183993:222395,Cc1ccc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,NEODNSPSJWVGOW-UHFFFAOYSA-N
-rxn:4:183993:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,NQHYCLBRFQAEEP-UHFFFAOYSA-N
-rxn:4:183999:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)C1CCCC1,YELOIEVFCTUWOO-UHFFFAOYSA-N
-rxn:4:184006:226844,COc1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1OC,VUUHHDUKLQZZSV-UHFFFAOYSA-N
-rxn:4:184013:224612,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,SHKNXWREOVFWPB-UHFFFAOYSA-N
-rxn:4:184017:224612,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,ZVLXKOWWFOZFTE-UHFFFAOYSA-N
-rxn:4:184017:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,SVAQPWBMXLXDAP-UHFFFAOYSA-N
-rxn:4:184020:223651,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,PUHWSBNGFHLSGQ-BBMPLOMVSA-N
-rxn:4:184023:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,URIRZPLGLRFKOI-UHFFFAOYSA-N
-rxn:4:184025:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,HXGAICOSSKVXJC-UHFFFAOYSA-N
-rxn:4:184029:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,GWUKLIFQUZSLBQ-UHFFFAOYSA-N
-rxn:4:184030:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DNIMBOOMSDCYSK-UHFFFAOYSA-N
-rxn:4:184034:222604,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)c(C)cc2OC)CC1,GVCDFUVIXODLDP-UHFFFAOYSA-N
-rxn:4:184049:223030,COc1ccc(-c2cccc(NC(=O)OC(C)C)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,BCBLKHPYYCSLQS-UHFFFAOYSA-N
-rxn:4:184053:226176,CN(Cc1cc(-c2ccncc2C2CCCCC2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,HGKRLBYDAYUFSZ-UHFFFAOYSA-N
-rxn:4:184055:223279,COc1cc(-c2cnc(C3CCCN3)nc2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,PJFFAWIYHCSTMO-UHFFFAOYSA-N
-rxn:4:184056:223279,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,KMCXCPOANZMUGD-UHFFFAOYSA-N
-rxn:4:184065:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CCCCC1,MSKYSXPSDHJWFA-UHFFFAOYSA-N
-rxn:4:184066:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCCCC1,VTDZVFBENYPHLW-UHFFFAOYSA-N
-rxn:4:184095:224612,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,VDPJAEOBTFJKEK-AREMUKBSSA-N
-rxn:4:184099:227914,CC(C)Oc1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,PGNWNVKIKCHLDX-UHFFFAOYSA-N
-rxn:4:184128:224008,COC(=O)c1c(C)oc2cc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,FSSICMLDHSEBQS-UHFFFAOYSA-N
-rxn:4:184151:226480,CCCCOc1ccc(-c2ccc3c(=O)c(C(=O)OCC)c(S(C)=O)n(C4CC4)c3c2OC)c(F)n1,VQGSIVPJGMQZQT-UHFFFAOYSA-N
-rxn:4:184235:225723,CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,NFOSDSADULJIEL-UHFFFAOYSA-N
-rxn:4:184243:223528,CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MMILJSNGAGVLHK-UHFFFAOYSA-N
-rxn:4:184329:223489,CCOC(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cn1,WJAIEPODOQXYMU-UHFFFAOYSA-N
-rxn:4:184455:223539,COC(=O)Cc1cc(C#N)cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C(F)(F)F,GWMFFXTZIQOSTJ-UHFFFAOYSA-N
-rxn:4:184458:224627,COC(=O)Cc1ccc(-c2ccc(C(=O)N3CC(N(C)C)C3)cc2)c(C(F)(F)F)c1C#N,OCQVEQKWKRTOTG-UHFFFAOYSA-N
-rxn:4:184598:223529,CCOc1cc(C#N)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1OCC,OWUQRPDSTJQSTO-UHFFFAOYSA-N
-rxn:4:184617:223534,CCOC(OCC)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1,WDYZADOFUYDMEM-UHFFFAOYSA-N
-rxn:4:184873:223939,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2,QROSKRKTGXESGK-UHFFFAOYSA-N
-rxn:4:184877:223559,COc1ccc(COc2ccnc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)c(OC)c1,BJKCDZZXWDXSQT-UHFFFAOYSA-N
-rxn:4:184896:223753,Cc1ccc(-c2ccc(S(=O)(=O)Cc3cccc(C(=O)ON)c3)cc2)cc1OCCCN1CCN(C)CC1,IVOGEQZOOXVBIM-UHFFFAOYSA-N
-rxn:4:184908:224251,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)c1,CXWALUMIVVDGNG-UHFFFAOYSA-N
-rxn:4:184942:222639,CCN(CC)C(=O)C1(c2cccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2)CC1,NJAJMKXHMRNSNZ-IBGZPJMESA-N
-rxn:4:185017:223557,COc1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(CN(C)CC2CCC2)c1,VGHODTIBMHBIRI-UHFFFAOYSA-N
-rxn:4:185026:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,LAMSFAZOBYDORH-UHFFFAOYSA-N
-rxn:4:185045:223571,CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(-c3ccc(OCCN4C(=O)c5ccccc5C4=O)cc3)c2)C1,YFOPHXCQOPAHBX-UHFFFAOYSA-N
-rxn:4:185067:223279,FC(F)(F)COc1c(CN2CCC(F)(F)CC2)cccc1-c1cnc(C2CCCN2)nc1,ZRPLLQRYAGGYGB-UHFFFAOYSA-N
-rxn:4:185133:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC3CN(C(=O)OC(C)(C)C)C3)cc2)c(F)c1,LLQOQQNCFCVAMT-UHFFFAOYSA-N
-rxn:4:185144:226844,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,WGCKNUAKTCVXPQ-UHFFFAOYSA-N
-rxn:4:185145:226844,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,ZKAFAPYMFISMSH-UHFFFAOYSA-N
-rxn:4:185147:222429,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1,SWWZNDQVBLCQHV-UHFFFAOYSA-N
-rxn:4:185156:224169,COC(=O)c1cc(-c2cccc(OCCCN3CCOCC3)c2)ccc1CN1CCC(C(F)(F)F)CC1,WKLYGUBSZBDVJC-UHFFFAOYSA-N
-rxn:4:185157:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCCC(C(F)(F)F)C1,SWMQTQFWIHABPM-UHFFFAOYSA-N
-rxn:4:185160:226281,COC(=O)c1ccc(-c2ccc(CC(=O)N(C)C)cc2)c(CN2CCCC(C(F)(F)F)C2)c1,AASYHOYXNLLOJJ-UHFFFAOYSA-N
-rxn:4:185160:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCCC(C(F)(F)F)C2)c1,YGWPAZVNTDDJDD-UHFFFAOYSA-N
-rxn:4:185161:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,USEXTPIQMMQWBL-UHFFFAOYSA-N
-rxn:4:185166:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,FIKUCYFUGRMRMW-UHFFFAOYSA-N
-rxn:4:185196:223075,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(NS(=O)(=O)C2CC2)cc1,DHYJERODGDMFTC-UHFFFAOYSA-N
-rxn:4:185206:224612,COc1cc(-c2ccc(OCCN3CCOCC3)cc2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,QQTTXQSSDUITOP-UHFFFAOYSA-N
-rxn:4:185208:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,MXJCUERCAYCZBF-UHFFFAOYSA-N
-rxn:4:185210:226844,CCOc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,UYYPNTFRSWKPPA-UHFFFAOYSA-N
-rxn:4:185218:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCc4ccccc4)c(C(=O)N4CCCC4)c3)cc2)CC1,PJIQZJRNQAGSFQ-UHFFFAOYSA-N
-rxn:4:185222:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)OCc4ccccc4)c(N4CCCC4)c3)cc2)CC1,YXVNZLZAHVKWJD-UHFFFAOYSA-N
-rxn:4:185224:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,ZLBDGJDAGXTJQU-UHFFFAOYSA-N
-rxn:4:185250:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OCc2ccccc2)cc1C(F)(F)F,BZZWITFWPRAOFJ-UHFFFAOYSA-N
-rxn:4:185265:226102,CN(Cc1ccccc1-c1cccc(C2CN(CC(=O)OC(C)(C)C)C(=O)CO2)c1)C1CC1,QXYCJFQHBSNDRO-UHFFFAOYSA-N
-rxn:4:185267:224406,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c2)CC1,UBGZSMMSKXFHIS-UHFFFAOYSA-N
-rxn:4:185267:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SZURXGKMWKFUQY-UHFFFAOYSA-N
-rxn:4:185276:223901,Cc1ccc(CN(C(=O)c2ccccc2-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)C2CCS(=O)(=O)C2)o1,BLAWBQPHAKAPMW-UHFFFAOYSA-N
-rxn:4:185299:226844,COc1cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OC,LXNFUDWDYVTIKA-UHFFFAOYSA-N
-rxn:4:185305:226844,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QIGOFBYWOAHSSQ-UHFFFAOYSA-N
-rxn:4:185310:226844,CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,GIPRZPUWOBMWSN-UHFFFAOYSA-N
-rxn:4:185320:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,DHLIBYPYGHCKHN-UHFFFAOYSA-N
-rxn:4:185322:226844,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,LSPOYCKVHYZBHR-UHFFFAOYSA-N
-rxn:4:185323:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,HXCHXCBVSDIMOW-UHFFFAOYSA-N
-rxn:4:185350:225336,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(COCC(F)(F)F)cc3F)c2)CC1,NRPXJPWLXSCDSU-UHFFFAOYSA-N
-rxn:4:185351:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VQIFTDKUGSOOMV-UHFFFAOYSA-N
-rxn:4:185353:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc1,WRUUUXYBZUQRII-UHFFFAOYSA-N
-rxn:4:185370:226844,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DRWXBWTZVQEESI-UHFFFAOYSA-N
-rxn:4:185373:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2C)CC1,GSTOZKUQMLNVGY-UHFFFAOYSA-N
-rxn:4:185382:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)CC1,LMJVTOINVPEKHY-UHFFFAOYSA-N
-rxn:4:185403:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,OOBRYMFODALISC-UHFFFAOYSA-N
-rxn:4:185406:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OWFDGBQKSQFJCH-UHFFFAOYSA-N
-rxn:4:185407:224274,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2cnccc2n1C(=O)OC(C)(C)C,APHXMHOCXRUIAJ-UHFFFAOYSA-N
-rxn:4:185412:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)C1,RVQPNIPTAMBAHE-UHFFFAOYSA-N
-rxn:4:185414:226844,Cc1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WSQAPCWTYLBCTA-UHFFFAOYSA-N
-rxn:4:185423:223279,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,YVFAMLFMEXAUCU-UHFFFAOYSA-N
-rxn:4:185423:226844,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)C1,QZOJSNFANPEJMQ-UHFFFAOYSA-N
-rxn:4:185438:223279,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,WZZJBLXDPJFYBF-UHFFFAOYSA-N
-rxn:4:185491:222619,CON=CC(C)C(=O)c1ccc2c(-c3ccc(CNC(=O)C4CCCCC4)cc3)c(OC)ccc2c1,LVHXGWXISYXXCL-UHFFFAOYSA-N
-rxn:4:185509:226061,COC(=O)c1cc2c(cc1-c1cc(C(C)C)cc(C3CC3)c1)CCN2C(=O)OC(C)(C)C,XAUQUYSBHCKJDP-UHFFFAOYSA-N
-rxn:4:185510:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1N(C(=O)OC(C)(C)C)CC2,SHNSFTHSARJGKX-UHFFFAOYSA-N
-rxn:4:185589:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,MKRDTKJPYZEYPZ-UHFFFAOYSA-N
-rxn:4:185605:224612,CCOc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)c3ccccc3S2(=O)=O)cc1,LDTIEVUYTDDEIE-UHFFFAOYSA-N
-rxn:4:185626:226844,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)O1,MCQVVGZBPWQSOC-SVEHJYQDSA-N
-rxn:4:185986:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc1C(=O)OC,WHRSILXFOMBTBI-UHFFFAOYSA-N
-rxn:4:186075:222466,CCOC(=O)c1nc(C2CC2)sc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,LXLFUBRBFOSARM-UHFFFAOYSA-N
-rxn:4:186368:222396,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc1OC,NHELTTKRRWRMED-UHFFFAOYSA-N
-rxn:4:186368:222439,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1OC,RBCZKRBSQIXVSF-UHFFFAOYSA-N
-rxn:4:186368:222519,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1OC,XIXUOTKVZXMLRR-UHFFFAOYSA-N
-rxn:4:186368:222619,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1OC,URKHOJDUMDALIE-UHFFFAOYSA-N
-rxn:4:186368:222654,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1OC,MEEHKFMVXMGISZ-UHFFFAOYSA-N
-rxn:4:186368:222677,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(F)cc2CNC(=O)OC(C)(C)C)cc1OC,CBKMMTULFXKREC-UHFFFAOYSA-N
-rxn:4:186368:222685,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2C)cc1OC,GIWITKOZGTVLPV-UHFFFAOYSA-N
-rxn:4:186368:222694,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1OC,MATXSQRIPALVES-UHFFFAOYSA-N
-rxn:4:186368:222704,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)cc1OC,JRNQXLCYYMQBAY-UHFFFAOYSA-N
-rxn:4:186368:222718,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1OC,MRUBQSPLRCPSDD-UHFFFAOYSA-N
-rxn:4:186368:223499,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,VAZQCTIPSDSPJI-UHFFFAOYSA-N
-rxn:4:186368:223572,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)cc1OC,CABQZJORMJRZJW-UHFFFAOYSA-N
-rxn:4:186368:223696,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1OC,GEHMPZKMLJVLND-UHFFFAOYSA-N
-rxn:4:186368:223812,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1OC,DPJWMSCXONWGNC-UHFFFAOYSA-N
-rxn:4:186368:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(OC)c(C(=O)OC)cc2S(N)(=O)=O)CC1,KKKVLACUJIUSRX-UHFFFAOYSA-N
-rxn:4:186368:223831,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1OC,GNCZESLZNYONNZ-UHFFFAOYSA-N
-rxn:4:186368:223866,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1OC,RXMXVBRLWDDECS-UHFFFAOYSA-N
-rxn:4:186368:223892,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1OC,JRSUSJDZHUIKGA-UHFFFAOYSA-N
-rxn:4:186368:223917,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)cc1OC,LVZYTVALYWXAQO-UHFFFAOYSA-N
-rxn:4:186368:223922,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)cc1OC,MLJVMXRUBLSCHR-UHFFFAOYSA-N
-rxn:4:186368:223923,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)cc1OC,UGNNTJIUXNUEGX-UHFFFAOYSA-N
-rxn:4:186368:223973,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)cc1OC,NGPAZXZESRWEDO-UHFFFAOYSA-N
-rxn:4:186368:223976,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1OC,USKNEEAQESYRBB-UHFFFAOYSA-N
-rxn:4:186368:223996,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1OC,BTCQVRKKQLPUHI-UHFFFAOYSA-N
-rxn:4:186368:223998,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1OC,HOOUDLQRVXTRNB-UHFFFAOYSA-N
-rxn:4:186368:224132,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C(=O)N(C)C2CCCCC2)cc1OC,UGFBKGIKHHHNHR-UHFFFAOYSA-N
-rxn:4:186368:224153,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1OC,BLNPTZZKGLQPSK-UHFFFAOYSA-N
-rxn:4:186368:224169,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(OCCCN3CCOCC3)c2)cc1OC,MHXBRNQCAURUNP-UHFFFAOYSA-N
-rxn:4:186368:224177,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(Cl)c(OC(C)C)c(OCC(C)C)c2)cc1OC,FCTZAEXSQJUJLN-UHFFFAOYSA-N
-rxn:4:186368:224180,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2OCCN2CCN(C)CC2)cc1OC,WLJJZQDVVVENFX-UHFFFAOYSA-N
-rxn:4:186368:224243,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)cc1OC,XBZNQWZNVUIZPW-UHFFFAOYSA-N
-rxn:4:186368:224250,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(=O)N3CCCCC3C)ccc2F)cc1OC,DEQUEDQOQFKWLA-UHFFFAOYSA-N
-rxn:4:186368:224255,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)cc1OC,ONDMWDPYBBWXOA-UHFFFAOYSA-N
-rxn:4:186368:224256,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1OC,JZRLTLBWALXVFY-UHFFFAOYSA-N
-rxn:4:186368:224286,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1OC,AMGNLFZOFFWFDB-UHFFFAOYSA-N
-rxn:4:186368:224288,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cc1OC,YTCHSBZXVJLCKX-UHFFFAOYSA-N
-rxn:4:186368:224291,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1OC,JNYPOQYIKUENDW-UHFFFAOYSA-N
-rxn:4:186368:224317,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1OC,YUCRFKOSSKENNI-UHFFFAOYSA-N
-rxn:4:186368:224336,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCCCC3)cc2C(F)(F)F)cc1OC,QPBPNIFROMGRIH-UHFFFAOYSA-N
-rxn:4:186368:224376,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC,QSMXKKPPRUVYRO-UHFFFAOYSA-N
-rxn:4:186368:224377,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC,KRXOTXMCDSKCQG-UHFFFAOYSA-N
-rxn:4:186368:224392,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC,GPVFDVOLUCAZJJ-UHFFFAOYSA-N
-rxn:4:186368:224405,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1OC,GTQOVLFNEBPZLP-UHFFFAOYSA-N
-rxn:4:186629:222607,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,LSAOQIVVYSYBIL-UHFFFAOYSA-N
-rxn:4:186629:222675,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(NC(=O)OC(C)(C)C)c(OC)c1,XLKZLCVWISZKQH-UHFFFAOYSA-N
-rxn:4:186629:223489,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,CACMOCOSYXGHHU-UHFFFAOYSA-N
-rxn:4:186629:223497,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,RTNVOTVHJKIWLL-UHFFFAOYSA-N
-rxn:4:186629:223503,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,WSHYLOVGILGMEW-UHFFFAOYSA-N
-rxn:4:186629:223529,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,PCYDRFGOOXNJQK-UHFFFAOYSA-N
-rxn:4:186629:223577,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,OCWQDTDTPJVQMX-UHFFFAOYSA-N
-rxn:4:186629:223606,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,IOUFJPKAEFBUPY-UHFFFAOYSA-N
-rxn:4:186629:223649,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,AASMVVMGRUGSDU-UHFFFAOYSA-N
-rxn:4:186629:223669,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,UCXINYBHGYMMIW-UHFFFAOYSA-N
-rxn:4:186629:223686,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c1,CJUDALVUFGIJIU-UHFFFAOYSA-N
-rxn:4:186629:223785,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCN(CC)CC2)c(Cl)c1,JIPBNPDYPCDXAG-UHFFFAOYSA-N
-rxn:4:186629:223789,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c1,FVCZBJANGNLCIC-UHFFFAOYSA-N
-rxn:4:186629:223814,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,YJYLTPNCUFSPOC-UHFFFAOYSA-N
-rxn:4:186629:223867,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCCN2CCC(C)CC2)c1,XPDDTBCEVQKROO-UHFFFAOYSA-N
-rxn:4:186629:223883,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,MBNXRLROTAKJKN-UHFFFAOYSA-N
-rxn:4:186629:223884,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,IWIGPJMNLQKBRT-UHFFFAOYSA-N
-rxn:4:186629:223893,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCN2CCN(CC)CC2)c1,LMJJZZBWKUVRGN-UHFFFAOYSA-N
-rxn:4:186629:223895,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCN(CC)CC2)cc1,DVTIWEFTOFZVJK-UHFFFAOYSA-N
-rxn:4:186629:223902,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC(C)CC2)c(F)c1,XNHHZBMBNSWJFM-UHFFFAOYSA-N
-rxn:4:186629:223916,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cc1,WEEASOVAHCQHTN-UHFFFAOYSA-N
-rxn:4:186629:223926,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1,YULPWWFPDPVAJV-UHFFFAOYSA-N
-rxn:4:186629:223928,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,FFRCOLZDNBPXKA-UHFFFAOYSA-N
-rxn:4:186629:223995,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1,ZRIBZMOVLKWTHD-UHFFFAOYSA-N
-rxn:4:186629:223999,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,WCEONMQOTRVXKX-UHFFFAOYSA-N
-rxn:4:186629:224015,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCOCC2)c(C)cc1F,AMYZNLGBAKYFDJ-UHFFFAOYSA-N
-rxn:4:186629:224080,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCCCC2)cc1,MXBBWTFXCLZPEB-UHFFFAOYSA-N
-rxn:4:186629:224088,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCCCCC2)cc1,WBGZWNBLTOULPR-UHFFFAOYSA-N
-rxn:4:186629:224128,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1,VJJOSZRQSCXGLC-UHFFFAOYSA-N
-rxn:4:186629:224153,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(N2CCCC2)cc(N2CCCC2)c1,NVQKASRCRMUZSD-UHFFFAOYSA-N
-rxn:4:186629:224160,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,FRBVPOSXWOKVRJ-UHFFFAOYSA-N
-rxn:4:186629:224161,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,XDNKOMRIGDYNPB-UHFFFAOYSA-N
-rxn:4:186629:224171,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCCC2)c(F)c1,XRJPGBHHIPUXBZ-UHFFFAOYSA-N
-rxn:4:186629:224174,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N(CC)C(=O)OC(C)(C)C)cc1,FCDMOPYVHGNFTQ-UHFFFAOYSA-N
-rxn:4:186629:224182,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCOCC2)c(C)c1,ILESTCWNLMMEEX-UHFFFAOYSA-N
-rxn:4:186629:224196,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(CN2CCN(CC)CC2)c1,MWFFTBXEFUSFMQ-UHFFFAOYSA-N
-rxn:4:186629:224197,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(CC)CC2)c(F)c1,FKOPMBKARDJVSJ-UHFFFAOYSA-N
-rxn:4:186629:224203,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCCCC2)cc1OC,AOIOORGMJCIZIP-UHFFFAOYSA-N
-rxn:4:186629:224244,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)c(C(=O)N2CCC(C)CC2)c1,QZWLIPJOJTUPJM-UHFFFAOYSA-N
-rxn:4:186629:224247,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,SABJYDQIBGJJDR-UHFFFAOYSA-N
-rxn:4:186629:224256,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)c(C(=O)N2CCCCC2C)c1,IEOYABVJYAMHRF-UHFFFAOYSA-N
-rxn:4:186629:224288,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N(C)C(=O)OC(C)(C)C)cc1Cl,QBIGIPVEJYBLTJ-UHFFFAOYSA-N
-rxn:4:186629:224312,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(F)c(C(=O)N2CCN(C)CC2)c1,LWTLQRPYGSTCQQ-UHFFFAOYSA-N
-rxn:4:186629:224318,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,AASBTBQSDJVNLO-UHFFFAOYSA-N
-rxn:4:186629:224321,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,NRAIZGAJZDUHBL-UHFFFAOYSA-N
-rxn:4:186629:224355,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCC3(CC2)OCCO3)nc1,NTTXEGGLPOQVBR-UHFFFAOYSA-N
-rxn:4:186629:224396,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,LQMCZQODPXEXMG-UHFFFAOYSA-N
-rxn:4:186629:224412,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,JCSAZGKIKOFGQC-UHFFFAOYSA-N
-rxn:4:186629:224414,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1,MWSJMTQMWFSEAX-UHFFFAOYSA-N
-rxn:4:186921:224845,CC(C)(C)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc(C(C)(C)C)c1,OTPQSVXQBPZKRX-UHFFFAOYSA-N
-rxn:4:187064:224798,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(OC(F)(F)F)ccc1OC(C)C,ISCSUOSAZGVXIT-UHFFFAOYSA-N
-rxn:4:187077:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(OCCN4CCC(F)(F)CC4)c3)c2)CC1,KBAGYVYCVQBFIN-UHFFFAOYSA-N
-rxn:4:187093:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,HSBLUALVAWBYEN-UHFFFAOYSA-N
-rxn:4:187132:224349,COC(=O)c1cc(C(=O)N2CCCCC2)cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)c1,PJZKXOWTTNHKHB-UHFFFAOYSA-N
-rxn:4:187143:226844,O=C(Cc1ccc(Cl)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,NRARSBUXYPFKRH-UHFFFAOYSA-N
-rxn:4:187148:225671,O=C(Cc1ccc(-c2cc(C3CCCCC3)ncc2F)c(F)c1)N1CCCC(C(F)(F)F)C1,VWYPFZXHAICLNO-UHFFFAOYSA-N
-rxn:4:187148:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,VFRBJZRJNRARFB-UHFFFAOYSA-N
-rxn:4:187156:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(F)(F)CC1,KISFTURZNRFWPG-UHFFFAOYSA-N
-rxn:4:187157:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(F)(F)C1,FFWUIMVWCYLXBH-UHFFFAOYSA-N
-rxn:4:187158:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,MPAYSUTZBHZTQL-UHFFFAOYSA-N
-rxn:4:187211:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)cc1,QQLUTHXOWBIEFV-UHFFFAOYSA-N
-rxn:4:187270:226844,O=C(c1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,ASMUVWMFDXFYAG-UHFFFAOYSA-N
-rxn:4:187277:222629,COc1nc(C)c(CC2CC2)c(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1C(C)C,WPGJGFYMALGXLU-UHFFFAOYSA-N
-rxn:4:187295:222635,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c1,ILPMSWMEMDGRHA-FQEVSTJZSA-N
-rxn:4:187295:222646,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)c1,FOVAVRDJMXDTPG-UHFFFAOYSA-N
-rxn:4:187310:222588,CC1CCCCN1CCOc1c(F)cc(Cl)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,SNVLGMMDBJXGOS-UHFFFAOYSA-N
-rxn:4:187320:225061,CCOc1cccc(-c2ccc(N3CCC(C)CC3)cc2F)c1CN1CCC(F)(F)CC1,XPIHTKWHWJYPJQ-UHFFFAOYSA-N
-rxn:4:187335:224702,COc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2C)cc(OC)c1C(=O)N1CCC(F)(F)CC1,BJKHQLNHSCODBS-UHFFFAOYSA-N
-rxn:4:187352:223939,CC(C)[Si](c1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)s1)(C(C)C)C(C)C,DVBJWVSELFFRLJ-UHFFFAOYSA-N
-rxn:4:187384:223755,CC1CCN(CCCOc2ccc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)cc2F)CC1,AOOWSLCYCIPXTO-UHFFFAOYSA-N
-rxn:4:187388:226844,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FGJOETTUYIAIFQ-UHFFFAOYSA-N
-rxn:4:187430:224254,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)c1,ZQTXRPGZCRHCRG-UHFFFAOYSA-N
-rxn:4:187441:223991,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c3F)o2)C1,BNAUHFUJYGVSCO-UHFFFAOYSA-N
-rxn:4:187452:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)c4ccccc4CN4CCCC4)c3)cc2F)CC1,OTJUAHBPLXLAIW-UHFFFAOYSA-N
-rxn:4:187467:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCC(S(=O)(=O)c5ccc(Cl)cc5)C4)c3)cc2F)CC1,YWQORRXHAUFWEH-UHFFFAOYSA-N
-rxn:4:187482:223895,CCOc1ccc(-c2ccc(OCCN3CCN(CC)CC3)cc2)cc1S(=O)(=O)N1CCCC(C)C1,RNFVDOGNXMPEMY-UHFFFAOYSA-N
-rxn:4:187485:224586,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(F)ccc1CN1CCC(C)CC1,WISDAEIWHDGFOL-UHFFFAOYSA-N
-rxn:4:187487:225428,CCCCC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3CC)c2)c(C)c1,PLCRNRWFNMRCQV-UHFFFAOYSA-N
-rxn:4:187505:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,QIFWKVBGEMBPTC-UHFFFAOYSA-N
-rxn:4:187574:222886,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,KAFRQQMKWWXZLE-UHFFFAOYSA-N
-rxn:4:187581:222790,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)co1,YOOGESNQVAXIET-UHFFFAOYSA-N
-rxn:4:187586:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,OSFOHMLWSJTTFX-UHFFFAOYSA-N
-rxn:4:187589:225269,COC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)c(C(=O)OC)c1,YRPPMWKSKBSMSY-UHFFFAOYSA-N
-rxn:4:187593:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,HRIFLKASBGRZTA-UHFFFAOYSA-N
-rxn:4:187594:226056,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3c4c(cc5c3CCC5)CCC4)c2)C1,BAMAWCXXVZBEGV-UHFFFAOYSA-N
-rxn:4:187600:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4ccc(CN5CCCCC5)cc4)cc3)cc2F)CC1,KKQMLJVXEZVQRR-UHFFFAOYSA-N
-rxn:4:187630:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(=C2CCC2)CC1,JVVSHXXODLIKAX-UHFFFAOYSA-N
-rxn:4:187632:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,HYCYSEYXSJIENW-UHFFFAOYSA-N
-rxn:4:187633:226844,CC(C)(C)OC(=O)N1CCOC(C)(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,YYKBOZQPILBIFQ-UHFFFAOYSA-N
-rxn:4:187634:226844,O=C(C1CCCCC1)N(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,YCISTMMJYLFRPJ-UHFFFAOYSA-N
-rxn:4:187662:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,DNXJONZSCSYHNS-UHFFFAOYSA-N
-rxn:4:187671:223279,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,WLIRVODOCSBEFX-UHFFFAOYSA-N
-rxn:4:187676:223895,CCN1CCN(CCOc2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2)CC1,OVNZNXCHIILHKF-UHFFFAOYSA-N
-rxn:4:187687:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3)cc2)CC1,AXDZKMVKQOMWGB-UHFFFAOYSA-N
-rxn:4:187688:222777,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)c(F)c1,BFYVHZMMYRLKLQ-UHFFFAOYSA-N
-rxn:4:187690:226844,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1,URHXPALFOMSVDM-UHFFFAOYSA-N
-rxn:4:187692:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2,GRFQSNZACCTPNE-UHFFFAOYSA-N
-rxn:4:187693:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,BICJDCFYHGLNAC-UHFFFAOYSA-N
-rxn:4:187714:223809,COC(=O)c1cc(OC(F)F)c2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)ccc2n1,SVPKBFSIGYBSOT-UHFFFAOYSA-N
-rxn:4:187731:224612,CCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc21,KIIZLCROHCTCFZ-UHFFFAOYSA-N
-rxn:4:187815:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2cc(C(F)(F)F)cc3ccn(C(=O)OC(C)(C)C)c23)c1,YIIJTIJTWSQXKJ-UHFFFAOYSA-N
-rxn:4:187856:223755,Cc1cccc2c1N(CCOc1ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc1)C(=O)C2=O,WVEVZBIKRWXZPE-UHFFFAOYSA-N
-rxn:4:187865:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)CCCN4C(=O)OCc3ccccc3)cc2Cl)CC1,PACJKANDRLWAMS-UHFFFAOYSA-N
-rxn:4:187917:223023,COc1ccc(-c2ccc(CNC(=O)N(C)C)cc2)c(C(=O)N2C3CCC2CC(SC)C3)c1,JWNNQHZYWFXTRX-UHFFFAOYSA-N
-rxn:4:187944:226844,O=C(c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccn1)C(F)(F)F,ASHKCPCDDJZPJG-UHFFFAOYSA-N
-rxn:4:187945:224727,COC(=O)C1=Cc2cc(-c3cc(OC(C)(C)C)nc(C(=O)OC)c3)ccc2N(CC(C)C)CCC1,QQDQNVPAGUQGPO-UHFFFAOYSA-N
-rxn:4:187964:224198,CCN1CCN(Cc2ccc(-c3cc(C4SCCN4S(=O)(=O)c4ccc5ccccc5c4)ccc3OC)c(F)c2)CC1,GZQFFZQFNCTBBK-UHFFFAOYSA-N
-rxn:4:188005:226844,COc1ccc(CN2C(=O)C3C(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,RCBOGEOUHLDODF-UHFFFAOYSA-N
-rxn:4:188014:223034,CC(C)(C)NC(=O)c1cncc(-c2ccc(C(=O)Oc3ccccc3N3C(=O)C4C5CCC(C5)C4C3=O)cc2)c1,ZGKDQZPJYJTICF-UHFFFAOYSA-N
-rxn:4:188014:223279,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NKCZATSYVRWYOT-UHFFFAOYSA-N
-rxn:4:188025:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(C)(C)C)cc3)N(Cc3ccco3)C5=O)c2)CC1,VGSUKOILMKUVBC-UHFFFAOYSA-N
-rxn:4:188026:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc1,GHKHFUMMBPOGOA-UHFFFAOYSA-N
-rxn:4:188147:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OCC(F)(F)F)c(Cl)c3)cc2)CC1,ROCIGVXJKIEPTE-UHFFFAOYSA-N
-rxn:4:188261:223636,COC(=O)c1cc(F)c(C#N)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,WSDSBFHENWDDPA-UHFFFAOYSA-N
-rxn:4:188482:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ncc(C(=O)OC)cc3C(F)(F)F)c2)C1,DKVLVHXZIAXOAO-UHFFFAOYSA-N
-rxn:4:188921:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc(S(N)(=O)=O)c1,MDLDYMNMGSTYKS-UHFFFAOYSA-N
-rxn:4:188921:223755,COC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc(S(N)(=O)=O)c1,ZEYQWGRHJDEEIG-UHFFFAOYSA-N
-rxn:4:188931:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC)c(Cl)c(S(N)(=O)=O)c3)cc2)CC1,BYSXSOKQIHVLAW-UHFFFAOYSA-N
-rxn:4:188933:223895,CCN1CCN(CCOc2ccc(-c3cc(F)c(S(N)(=O)=O)cc3C(=O)OC)cc2)CC1,WRNHOKCTFGMNBK-UHFFFAOYSA-N
-rxn:4:189314:223575,COC(=O)c1cnc(C(C)C)c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,LNZHJQUGWQDNNY-UHFFFAOYSA-N
-rxn:4:189352:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)C(C)C)c([N+](=O)[O-])c3)cc2)CC1,PTENVGMKTJHVOD-UHFFFAOYSA-N
-rxn:4:189356:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(N)(=O)=O)cc3S(=O)(=O)CC)cc2)CC1,QXBZFJINLYIFLS-UHFFFAOYSA-N
-rxn:4:189357:223753,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1C,KGCHRPZFEZDOPU-UHFFFAOYSA-N
-rxn:4:189389:224612,O=C1C=CC(=NOC(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C=C1,QNEQWOHUSIPMCY-UHFFFAOYSA-N
-rxn:4:189435:222520,COc1cc(C2(C#N)CCC2)ccc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,IXFHPLCPDMSAFI-UHFFFAOYSA-N
-rxn:4:189816:223841,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCCC2)c1,LJGIDTFJQLELNI-UHFFFAOYSA-N
-rxn:4:189823:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2CC(=O)N2CC=CCC2)CC1,OPKWWJGRJUUXCK-UHFFFAOYSA-N
-rxn:4:189840:223845,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,MZOHYZLELLHXSU-UHFFFAOYSA-N
-rxn:4:189888:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,PCPJGUZOQJCTPF-UHFFFAOYSA-N
-rxn:4:189916:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)C(=O)N3CCCCC3)cc2)CC1,ZVEIYVOQQPYYJS-UHFFFAOYSA-N
-rxn:4:189973:223064,O=S(=O)(c1cc(-c2ccc(C3CCNCC3)nc2F)cc(C(F)(F)F)c1)N1CCOCC1,QMLHJQYPCSUNMY-UHFFFAOYSA-N
-rxn:4:189998:223748,Cc1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(/C=N/S(=O)C(C)(C)C)c1,HKYJBUFDJIXKNY-XHLNEMQHSA-N
-rxn:4:190072:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCCCC2C(F)(F)F)c1,NYLWCFJFYFZJEQ-UHFFFAOYSA-N
-rxn:4:190085:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)c1,FFMVUTBUYWVPJH-UHFFFAOYSA-N
-rxn:4:190112:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4(C#N)CCCCC4)ccc3OC)cc2)CC1,REXHKNGPTVMPSX-RQNOJGIXSA-N
-rxn:4:190164:225830,Cc1nc(N2CCCCC2)ncc1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1,QVXIKHLJFYDGDK-UHFFFAOYSA-N
-rxn:4:190171:226844,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C(=O)O1,QEWIUDYSSVSDMH-UHFFFAOYSA-N
-rxn:4:190173:226844,O=C(c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)ccn1)C(F)(F)F,ZYZOEFVBRIRCFM-UHFFFAOYSA-N
-rxn:4:190178:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,NMUGGMSACFWJJZ-UHFFFAOYSA-N
-rxn:4:190179:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,KKHDSXXGOIIPEQ-UHFFFAOYSA-N
-rxn:4:190180:226844,O=C(c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1)C(F)(F)F,OVVMJVGWLCFUSB-UHFFFAOYSA-N
-rxn:4:190239:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)o2)CC1,LDVXSJNVULUZKH-UHFFFAOYSA-N
-rxn:4:190240:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCOC(c5ccccc5)C4)o3)cc2[N+](=O)[O-])CC1,JOGIBCHNEFYXFY-UHFFFAOYSA-N
-rxn:4:190252:223790,CN(C(=O)c1ccccc1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1)C1CCCCC1,KDFXJGHAJIOIQH-UHFFFAOYSA-N
-rxn:4:190296:224198,CCN1CCN(Cc2ccc(-c3cccc(N4C(=O)C(=Cc5ccccc5OC)SC4=S)c3)c(F)c2)CC1,ZSKKLRYDWVLLBK-UHFFFAOYSA-N
-rxn:4:190329:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCCN3C(=O)C3CCC3)cc2)c1,CFKOPZDZZVQDSV-UHFFFAOYSA-N
-rxn:4:190333:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(C)CC4)c(C(=O)OC)c3)cc2)CC1,YHWXISPTNPOBQX-UHFFFAOYSA-N
-rxn:4:190354:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KNOYHFIDIOPNBP-UHFFFAOYSA-N
-rxn:4:190356:226844,O=C(c1ccc(C(F)(F)F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC2(CC1)CC2,NODOKZHBMBNGEY-UHFFFAOYSA-N
-rxn:4:190384:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2)c(C)c1,ZNGCFYLCNYCXJW-UHFFFAOYSA-N
-rxn:4:190390:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)cc(C(=O)N4CCC5(CC4)CC5)c3)cc2)CC1,XTGWYOCUUNYGRY-UHFFFAOYSA-N
-rxn:4:190427:224821,O=C(C1CCC1)N1CCC(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,YVQXKOFXTPPZGU-UHFFFAOYSA-N
-rxn:4:190433:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,GDGWQVVCNZDFGK-UHFFFAOYSA-N
-rxn:4:190446:224076,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1,UXPBGQWGIRVXHK-UHFFFAOYSA-N
-rxn:4:190454:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCSC(c5ccccc5)CC4)c3)c2)CC1,YMBMPBZZSQEARA-UHFFFAOYSA-N
-rxn:4:190463:226844,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,ZFUGRXOWOQRIKX-UHFFFAOYSA-N
-rxn:4:190475:225723,CN(C)CCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1Cl,YHJYJRUCUJCMOK-UHFFFAOYSA-N
-rxn:4:190498:226844,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VHWLVTGJAGNJRK-UHFFFAOYSA-N
-rxn:4:190633:223842,COCCN1C(=O)C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)ccc21,KVHZGAUIJVKILJ-UHFFFAOYSA-N
-rxn:4:190633:223845,COCCN1C(=O)C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc21,OXWUYDYIGUNEFX-UHFFFAOYSA-N
-rxn:4:190634:223842,COCCN1C(=O)C(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc21,SSHNVPWEPISBKG-UHFFFAOYSA-N
-rxn:4:190634:223845,COCCN1C(=O)C(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc21,VNCJPMVATVXIDP-UHFFFAOYSA-N
-rxn:4:190708:223841,COCCN1C(=O)COc2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc21,AGDFBZKKXZTZKU-UHFFFAOYSA-N
-rxn:4:190708:223845,COCCN1C(=O)COc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc21,CAVIYUJSKUVHGW-UHFFFAOYSA-N
-rxn:4:190747:223845,CCCCN1C(=O)COc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc21,JJOPEGUGHAMYMT-UHFFFAOYSA-N
-rxn:4:190835:223699,O=C1c2ccccc2C(=O)N1CCc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1,NFKLJNNKXZMKRM-UHFFFAOYSA-N
-rxn:4:190842:223809,COC(=O)c1ccc(N2C(=O)c3ccc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cc3C2=O)cc1,LPCCPYPMEYPKNC-UHFFFAOYSA-N
-rxn:4:190847:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)c(F)c1,CJMMZXIYQHLUCX-UHFFFAOYSA-N
-rxn:4:190865:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cnc1Cl,KQMYNHAQNCUXTI-UHFFFAOYSA-N
-rxn:4:190865:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)C(C)(C)C)c(F)c2)CC1,CQZAOGZHQUJEOF-UHFFFAOYSA-N
-rxn:4:190927:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4=O)cnc21,WUDJFLBBVZVHNQ-UHFFFAOYSA-N
-rxn:4:190943:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,BFUBAPPIJSKUIB-UHFFFAOYSA-N
-rxn:4:190946:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5cc(F)ccc54)cc3)cc2)CC1,IAYAUROTJXTEDI-UHFFFAOYSA-N
-rxn:4:190953:222782,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cnc1NC(=O)OC(C)(C)C,JOYDVSHNWAEXRV-UHFFFAOYSA-N
-rxn:4:190957:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1,BWGUWWZYKJIYGY-UHFFFAOYSA-N
-rxn:4:190961:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)c1,JGMKFKVKLAMZMM-UHFFFAOYSA-N
-rxn:4:190966:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,MDZMHQUUOPSTMH-UHFFFAOYSA-N
-rxn:4:190977:225051,CC1CCCN(c2cc(F)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(F)F)c2)C1,GYWHXJRYTYUNSY-UHFFFAOYSA-N
-rxn:4:190978:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCS3(=O)=O)c1,MHEFFDGPWAYUEC-UHFFFAOYSA-N
-rxn:4:191005:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3[nH]c4cc(C(=O)OC)ccc4c3C3CCCCC3)cc2)CC1,LGRXITOMCCPJLR-YHBQERECSA-N
-rxn:4:191008:225059,CC1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4(C)C)c(Cl)c2)CC1,TVZMAPXFEMZEAQ-UHFFFAOYSA-N
-rxn:4:191027:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5ccc(F)cc54)cc3C)cc2)CC1,BNNGISOXGSJCED-UHFFFAOYSA-N
-rxn:4:191029:224847,Cc1c(-c2cc(C(C)(C)C)ccc2C(C)(C)C)ccc2c1CCN(C(=O)OC(C)(C)C)C2,GMTNXCICJRYOSK-UHFFFAOYSA-N
-rxn:4:191031:222908,CC(C)(C)OC(=O)Nc1cncc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1,MKUXETZWTBJFBR-UHFFFAOYSA-N
-rxn:4:191032:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,CAUSSVKOEGBJRR-UHFFFAOYSA-N
-rxn:4:191038:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C)ccc1OC,MLDHWUBHHJBGGA-UHFFFAOYSA-N
-rxn:4:191058:224742,COC(=O)C1CCN(C2CCc3cc(-c4cc(C5OCCO5)c(OC)cc4OC)ccc32)CC1,JUCLNGYJGUIJCZ-UHFFFAOYSA-N
-rxn:4:191089:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,ZDZUYHQRORBGTJ-UHFFFAOYSA-N
-rxn:4:191090:225395,CC(C)(C)OC(=O)N1Cc2cccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)c2C(C)(C)C1,BCPCGXULPPVVJP-UHFFFAOYSA-N
-rxn:4:191090:225553,CC(C)N(C)C(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,GYDDATVNVOWVCL-UHFFFAOYSA-N
-rxn:4:191094:226348,CC(C)(C)OC(=O)N1C(=O)C2(CCCC2)c2cc(-c3ccc(OC(C)(C)C)cc3Cl)ccc21,YKNNLJUDYOXWGX-UHFFFAOYSA-N
-rxn:4:191099:223175,CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1,QMKRZOSHJVKBPL-UHFFFAOYSA-N
-rxn:4:191100:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C32CCOCC2)cc1,HGJFRXLEDYUQMN-UHFFFAOYSA-N
-rxn:4:191103:223279,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,AMVDCNXBLKIZDD-UHFFFAOYSA-N
-rxn:4:191103:226094,CC(C)CCOc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,UIIGRBLWRQSBNL-UHFFFAOYSA-N
-rxn:4:191105:226654,CC1CCN(c2nc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cs2)CC1,HHKGQUJLOSVVGK-UHFFFAOYSA-N
-rxn:4:191121:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(C)c1,ZFUJDWPFSCPLIB-UHFFFAOYSA-N
-rxn:4:191123:223960,CCN1CCN(C(=O)c2cc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,DWTGXHUKDARBEP-UHFFFAOYSA-N
-rxn:4:191123:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c32)CC1,QHLCNDAMAYTXNI-UHFFFAOYSA-N
-rxn:4:191124:223588,Cc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UJLMAOAQKMYMJQ-UHFFFAOYSA-N
-rxn:4:191127:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1O2,DMRXZDKOVNSRED-UHFFFAOYSA-N
-rxn:4:191132:223753,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)c3ccccc3S2(=O)=O)c(C)c1,LDOOTYRAVVMEOT-UHFFFAOYSA-N
-rxn:4:191135:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)ccc21,YGKYSKVIPXGQNM-UHFFFAOYSA-N
-rxn:4:191137:226844,COc1ccc(N2C(=O)C3C(c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,JSARIOWKGVODMQ-UHFFFAOYSA-N
-rxn:4:191138:226844,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NDPKWFMMIPUZLL-UHFFFAOYSA-N
-rxn:4:191142:223580,CCCCN1C(=O)c2cccc3c(-c4cc5cc(C(=O)OC)ccc5n4C(=O)OC(C)(C)C)ccc(c23)C1=O,LLYFAHWHVBLILD-UHFFFAOYSA-N
-rxn:4:191148:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5cccc6cccc(c56)C4=O)cc3)cc2)CC1,DUAKZJXZBYGROT-UHFFFAOYSA-N
-rxn:4:191151:223520,CC(c1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MJPMGWZGWDDSCJ-UHFFFAOYSA-N
-rxn:4:191169:223753,COc1cccc2c1N(C(=O)c1ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc1)C(C)(C)c1ssc(=S)c1-2,MEUZZRHEMUZRAJ-UHFFFAOYSA-N
-rxn:4:191172:226140,COc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1,MOGBXTRYFCSJRA-UHFFFAOYSA-N
-rxn:4:191179:223895,CCN1CCN(CCOc2ccc(-c3cccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CC4CCCO4)c3)cc2)CC1,KHFUYTOKKBGASB-UHFFFAOYSA-N
-rxn:4:191189:226844,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GZAWVZJQEYDFDV-UHFFFAOYSA-N
-rxn:4:191192:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4c5c(oc6ccc(C)cc6c5=O)C(=O)N4CC4CCCO4)cc3)c2)CC1,GTUBHMVJYZLIJH-UHFFFAOYSA-N
-rxn:4:191193:223999,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2F)c1)N(CC1CCCO1)C3=O,WYJZKYZKZXVRRQ-UHFFFAOYSA-N
-rxn:4:191194:224722,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccnc(N(C)C(=O)OC(C)(C)C)c4)ccc(c23)C1=O,RKSKSCBEAROOKI-UHFFFAOYSA-N
-rxn:4:191195:227824,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C3CCC3)cc1)c1c2CCC1,MTIJJYLIKCQPHF-UHFFFAOYSA-N
-rxn:4:191195:228593,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccncc1C1CC1)c1c2CCC1,MFTSPCUTLDDGCO-UHFFFAOYSA-N
-rxn:4:191206:226844,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C3=C(CCCC3=O)N1CC2,JUSKQELYIMCLHR-UHFFFAOYSA-N
-rxn:4:191228:223504,COC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ns1,WHGJERSDFBLCAL-UHFFFAOYSA-N
-rxn:4:191319:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OC(F)(F)F)c(F)c3)cc2F)CC1,GMKQOBAJMHLWHM-UHFFFAOYSA-N
-rxn:4:191325:223504,COC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)[nH]1,OWLDPTJFQKFNAF-UHFFFAOYSA-N
-rxn:4:191327:223504,COC(=O)c1[nH]ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,MIFOTWAYCDVDJW-UHFFFAOYSA-N
-rxn:4:191331:223504,COC(=O)c1c[nH]cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,VUJPZDRJMRSXDW-UHFFFAOYSA-N
-rxn:4:191407:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(C#N)ccc3C(F)(F)F)cc2)CC1,CVNAXPMVGCIWBE-UHFFFAOYSA-N
-rxn:4:192601:223784,CCN1CCN(CCOc2ccc(-c3cc(C4OCCO4)cc([N+](=O)[O-])c3)cc2F)CC1,QDSOMGLTGIKCOI-UHFFFAOYSA-N
-rxn:4:193104:223569,CCc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)ccc1N1C(=O)C=CC1=O,LHAPSWVVUMVINA-UHFFFAOYSA-N
-rxn:4:193278:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C=C4SC(=S)N(CC)C4=O)cc3)c2)CC1,KXZKPWWHSDYJOR-UHFFFAOYSA-N
-rxn:4:193350:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CCN(C)C2)c(F)c1,CAFSZPBQEMKRAI-UHFFFAOYSA-N
-rxn:4:193385:222538,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1F)N1CCOCC1,CKQISVVICXDZHC-UHFFFAOYSA-N
-rxn:4:193417:223474,CO[C@]1(c2cc(C)cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)n2)CCOC1,HUQYSQFWIMELHG-CBSZPYRKSA-N
-rxn:4:193518:224497,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N=C4C=CC(=O)C=C4C)cc3)cc2)CC1,CQXHSPJYPCWQFW-UHFFFAOYSA-N
-rxn:4:193693:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,USBJSFIXEBNIJN-UHFFFAOYSA-N
-rxn:4:193693:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,RPZDOBZXAZTGOS-UHFFFAOYSA-N
-rxn:4:193805:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(C)N4CCCCC4)c3)cc2F)CC1,LLAKNWOEOLEMTD-UHFFFAOYSA-N
-rxn:4:193812:222465,CC1CCN(Cc2cc(F)ccc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,ZMTOWUVKWNUAEQ-UHFFFAOYSA-N
-rxn:4:193815:222546,CC1CCN(Cc2cc(F)cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,CALIRXYMUXGFIZ-UHFFFAOYSA-N
-rxn:4:193836:223835,Cc1cc(F)c(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,WBOYEZLRRIUDHA-UHFFFAOYSA-N
-rxn:4:193886:224328,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,WKDAIIFBUYCLIY-UHFFFAOYSA-N
-rxn:4:193909:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)SC(=S)N1C1CCCCC1,ZJUMVVWEVQAYDI-UHFFFAOYSA-N
-rxn:4:193910:223895,CCN1CCN(CCOc2ccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)cc3)cc2)CC1,AVWPNUAZJVALPU-UHFFFAOYSA-N
-rxn:4:193928:223743,Cc1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1,MWZSECQXKPUPMF-UHFFFAOYSA-N
-rxn:4:193935:224612,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1)N1CCC2(CC1)OCCCO2,IXIRUTRPHRMXBQ-UHFFFAOYSA-N
-rxn:4:193976:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,VJMICXKDGYWJNT-UHFFFAOYSA-N
-rxn:4:193994:222537,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,GFKSHGRVCGYDOU-UHFFFAOYSA-N
-rxn:4:194328:223842,CCCN1C(=O)C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)ccc21,JKOQACSDXMELTD-UHFFFAOYSA-N
-rxn:4:194731:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc2c(c1)C(N1CCC(OC)CC1)CC2,QZHUQGHTCWNTLA-UHFFFAOYSA-N
-rxn:4:194748:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc([C@@]23C[C@@H]2CN(C2CCOCC2)C3)cc1,NSNLJVGFSSTUGI-RLWLMLJZSA-N
-rxn:4:194751:226844,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QATUCILZUFHTBT-UHFFFAOYSA-N
-rxn:4:194770:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4c5ccccc5C(C)=CC4(C)C)cc3)c(F)c2)CC1,NOYGACKTKUVQHP-UHFFFAOYSA-N
-rxn:4:194792:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(Cl)cc1,PEOGKXKZFFULQF-UHFFFAOYSA-N
-rxn:4:194798:223279,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)C(=O)C23)cc1,CYVJXGKDVSPADM-UHFFFAOYSA-N
-rxn:4:197060:223697,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(N2CCC(C)CC2)c1,IHXMJZRUCVKJJN-UHFFFAOYSA-N
-rxn:4:197632:223697,O=C1c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2CN1C1CC1,UWEMEPZANJNKNV-UHFFFAOYSA-N
-rxn:4:197722:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)OCCC4S(N)(=O)=O)cc2F)CC1,DUQDYYMXRZMMRD-UHFFFAOYSA-N
-rxn:4:197782:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)CC1,SZOKJJJTAMPLRX-UHFFFAOYSA-N
-rxn:4:197814:223508,O=C1C2=C(CCC2)C(=O)N1c1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1,WBKZWGHQQLUISH-UHFFFAOYSA-N
-rxn:4:197950:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C(N3CCCC(F)(F)C3)CC4)cc2Cl)CC1,AWKHJAHQAJHMFJ-UHFFFAOYSA-N
-rxn:4:197966:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC3N2CCC(C)CC2)cc1,PIJSEYKELMSNNC-UHFFFAOYSA-N
-rxn:4:197990:224769,CC1CCCN(C2CCCc3cc(-c4ccc(N5CCCC5)cc4C(F)(F)F)ccc32)C1,VZMCOJMCWYWURG-UHFFFAOYSA-N
-rxn:4:197991:223889,CC1CCN(C2CCCc3cc(-c4cccc5c4CN(C(=O)OC(C)(C)C)CC5)ccc32)CC1,GNDUGABTGXUCLI-UHFFFAOYSA-N
-rxn:4:198013:225212,CC(=O)C1=C2CCCN2c2cc(-c3cc(F)cc(N4CCN(C)CC4)c3)ccc2S1(=O)=O,WAOVDJFQZWXTPT-UHFFFAOYSA-N
-rxn:4:198014:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)cc1,ICTNTBFPCJOTLF-UHFFFAOYSA-N
-rxn:4:199472:226844,Cc1[nH]nc(C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1-c1ccnc(C(=O)C(F)(F)F)c1,QXSPCZLPMABYOW-UHFFFAOYSA-N
-rxn:4:199500:224893,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2)cn1,DSWKFTLWJXNOPG-UHFFFAOYSA-N
-rxn:4:199524:224410,CCOCC(=O)N1CCC(Oc2ncccc2-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)C1,MDWWZFOMQITDML-UHFFFAOYSA-N
-rxn:4:199539:224378,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1,GJTWUSQQKUDKLB-UHFFFAOYSA-N
-rxn:4:199546:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc(C(F)(F)F)cc3)o2)cc1Cl,QYCRQISDMLXCBD-UHFFFAOYSA-N
-rxn:4:199574:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,RCYOREIIOJUCBX-UHFFFAOYSA-N
-rxn:4:199575:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,HNNOLTMXIOOMAI-UHFFFAOYSA-N
-rxn:4:199577:226844,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,BLIPMQMYCJXMNJ-UHFFFAOYSA-N
-rxn:4:199596:226844,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LSJYHWCCLYDMDX-UHFFFAOYSA-N
-rxn:4:199602:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)Cc4ccccc4)cc3)cc2)CC1,RBDBXXDNGGSSJW-UHFFFAOYSA-N
-rxn:4:199608:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)c1F,OQBVOWYKZPYOKK-UHFFFAOYSA-N
-rxn:4:199620:223289,CNS(=O)(=O)c1ccccc1-c1cccnc1OC1CCN(C(=O)C(C)(C)OC(C)=O)C1,NBRUSHIKLUHMIQ-UHFFFAOYSA-N
-rxn:4:199630:225876,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(-c2cc(Cl)ccc2N2CCOCC2)o1,UVIDXONDEPGOHX-UHFFFAOYSA-N
-rxn:4:199638:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(C(F)(F)F)cc3)cc2)ccn1)C(F)(F)F,MSTRHOZEWGSJJK-UHFFFAOYSA-N
-rxn:4:199652:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,HMQAOKVLIBFWJT-UHFFFAOYSA-N
-rxn:4:199669:226844,O=C(CSC1CCCC1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,QOHVZANLEWCGGG-UHFFFAOYSA-N
-rxn:4:199691:226825,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(Cl)c(C(F)(F)F)cc1C,ATMBTCFOIORXCH-UHFFFAOYSA-N
-rxn:4:199710:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,NGQUNVYIOGRFQE-UHFFFAOYSA-N
-rxn:4:199712:225155,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1,PZBKRXXTRLWULC-UHFFFAOYSA-N
-rxn:4:199714:224612,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)CC1,MXTHWCOTBFAHOK-UHFFFAOYSA-N
-rxn:4:199717:226844,CC(C)(C)OC(=O)N1CCN(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,RJMDJCCNNCRGOP-UHFFFAOYSA-N
-rxn:4:199719:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cnc(C3CCCN3)nc2)CC1,XSWMRULQRUPODB-UHFFFAOYSA-N
-rxn:4:199723:224612,CCOC(=O)c1cc(-c2ccc(OCCN3CCOCC3)cc2)cnc1C1CCN(Cc2ccccc2)C1,DHGCBDOYUKSWAS-UHFFFAOYSA-N
-rxn:4:199732:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,DPDJFBFMIMFYND-UHFFFAOYSA-N
-rxn:4:199742:226844,CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,NCYRAKBYELFVJO-UHFFFAOYSA-N
-rxn:4:199758:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCN(C(=O)OCC[Si](C)(C)C)CC4)cc3)cc2)CC1,FHKZYKMZGLZZIC-UHFFFAOYSA-N
-rxn:4:199764:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,WUHRQSRCOZQSKC-UHFFFAOYSA-N
-rxn:4:199766:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VUIQNAULIWIIPD-UHFFFAOYSA-N
-rxn:4:199768:226844,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SZDJXNHGNAXCKC-UHFFFAOYSA-N
-rxn:4:199770:226844,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UQUUDJLRWKBJIH-UHFFFAOYSA-N
-rxn:4:199773:222468,CCC(=O)N1N=C(c2ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc2)CC1c1ccc(OC)cc1OC,OYEJCZXIUYNQJO-UHFFFAOYSA-N
-rxn:4:199777:224078,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4cccc5c4ccn5[Si](C)(C)C(C)(C)C)cc3)C2)cc(=O)n1C1CC1,KRPHGMVERNTOKZ-UHFFFAOYSA-N
-rxn:4:199778:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,LSCBUXYRVKNNIF-UHFFFAOYSA-N
-rxn:4:199784:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WWKKNWLBNBUCKG-UHFFFAOYSA-N
-rxn:4:199786:226911,CCc1cc(C)cc(CC)c1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,GPCBFZHTOYLPSX-UHFFFAOYSA-N
-rxn:4:199789:222778,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cncc(CNC(=O)OC(C)(C)C)c3)CC2)ccn1,CZFKFNQSMVDUAH-UHFFFAOYSA-N
-rxn:4:199801:223279,CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C2C=CS(=O)(=O)C2)cc1,CMSKFUVCMXXFOM-UHFFFAOYSA-N
-rxn:4:199812:226844,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,TXIQWOTVPIIJED-UHFFFAOYSA-N
-rxn:4:199813:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,AQKIJVDLSIOLFM-UHFFFAOYSA-N
-rxn:4:199821:226844,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C(=O)N2CC)cc1,ASTAZSRUICZRIG-UHFFFAOYSA-N
-rxn:4:199825:224036,CN(Cc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,LGCUVGFYXNNXKJ-UHFFFAOYSA-N
-rxn:4:199827:226844,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GFTKKCFMOVYFNC-UHFFFAOYSA-N
-rxn:4:199832:224867,CC1CN(CCc2cc(F)ccc2-c2ccc(OCC3CCCCC3)cc2)CCN1C(=O)OC(C)(C)C,YRPORWGDVWCVMN-UHFFFAOYSA-N
-rxn:4:199841:226844,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,DCAUCBGFFOVVBR-UHFFFAOYSA-N
-rxn:4:199842:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,LEXQUYLOOXOHDV-UHFFFAOYSA-N
-rxn:4:199847:226844,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC)c2)CC1,PWDFSNIDFGABSG-UHFFFAOYSA-N
-rxn:4:199850:225723,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC2(C)C)cc(OC)c1OC,OALVXMJBXFSBBE-UHFFFAOYSA-N
-rxn:4:199851:223279,O=C1C(=Cc2ccc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)o2)SC(=S)N1CCCN1CCOCC1,KMQQQRYVNHKQBK-UHFFFAOYSA-N
-rxn:4:199854:226844,COC1CCN(C2CCN(C(=O)CCc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C1,QWYAALUSGMVSRT-UHFFFAOYSA-N
-rxn:4:199855:226844,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,NORIUGNLIGIQBF-UHFFFAOYSA-N
-rxn:4:199860:222465,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,VBLANUIKVJDUQV-UHFFFAOYSA-N
-rxn:4:199865:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,YSLOUQXFYMTVFP-FXDYGKIASA-N
-rxn:4:199865:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1,YABJEZABCAFCEW-MUUNZHRXSA-N
-rxn:4:199865:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)[C@@H](c2ccc(Cl)cc2)C1,FESJKVONZCKGPE-XMMPIXPASA-N
-rxn:4:199866:223279,O=C(C(=Cc1ccc(-c2ccc(-c3cnc(C4CCCN4)nc3)cc2)o1)C(=O)N1CCOCC1)N1CCOCC1,QRUYJJZAXNOHBO-UHFFFAOYSA-N
-rxn:4:199874:223239,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cncc(C4CCCN4)c3)cc2)C1,RGPFWPUBSCXZFO-UHFFFAOYSA-N
-rxn:4:199874:223279,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,ONRLGJOEMMOOGI-UHFFFAOYSA-N
-rxn:4:199881:224221,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4c(OCc5ccccc5)ccc(F)c4F)cc3)=NC23CCCCCC3)cc(OC)c1OC,NWKOSFIGRZFDHB-UHFFFAOYSA-N
-rxn:4:199882:224043,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2ccc3ccc(-c4ccccc4)nc3c2)cc(C(C)(C)C)c1,DGQJFUOESUKUDO-FTJBHMTQSA-N
-rxn:4:199957:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc2ccn(CC(=O)N3CCC(CC(=O)OC)CC3)c2c1,NVHBJXQXLIDIIX-UHFFFAOYSA-N
-rxn:4:199993:226844,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC,HAQAQWXPSYEQBS-UHFFFAOYSA-N
-rxn:4:200010:224198,CCN1CCN(Cc2ccc(-c3ccc(CS(=O)(=O)c4cn(CC(=O)N5CCOCC5)c5ccccc45)cc3)c(F)c2)CC1,SSEZYLPANNXZAO-UHFFFAOYSA-N
-rxn:4:200018:223279,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,QMHHNGMHOMGVCT-UHFFFAOYSA-N
-rxn:4:200019:226844,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,LTIMUNGMHGGWHS-UHFFFAOYSA-N
-rxn:4:200031:223279,CC(=O)N1CCc2cc(-c3cnc(C4CCCN4)nc3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,MCIGQJWGXMMIBK-UHFFFAOYSA-N
-rxn:4:200031:226844,CC(=O)N1CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,UUEPYSYCWLATDN-UHFFFAOYSA-N
-rxn:4:200040:226844,O=C(Cn1cc(S(=O)(=O)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc21)N1CCCCCC1,BNKXSDDKONBYGJ-UHFFFAOYSA-N
-rxn:4:200043:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(CN3CCC(N(C)C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1,OHVVJBOPLUZMAM-UHFFFAOYSA-N
-rxn:4:200049:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3nc4ccccn4c3Sc3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)c1,CELSYQZHLQFJBM-UHFFFAOYSA-N
-rxn:4:200055:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,CRLZWSBFBKCGKG-UHFFFAOYSA-N
-rxn:4:200064:223239,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2cncc(C3CCCN3)c2)c1,AVGMRIYGDVYAKP-UHFFFAOYSA-N
-rxn:4:200064:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,GGBYMYQOZRTEKZ-UHFFFAOYSA-N
-rxn:4:200064:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,SBWRYTSBKPMCEC-UHFFFAOYSA-N
-rxn:4:200094:223895,CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1-c1ccc(OCCN2CCN(CC)CC2)cc1,SKOPHRJISODTKK-UHFFFAOYSA-N
-rxn:4:200107:223753,CCOC(=O)c1cc(C#N)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c([N+](=O)[O-])c1,UYVGGJHPVKAZAM-UHFFFAOYSA-N
-rxn:4:200112:223753,CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,WVGAMVDXFLHTKA-UHFFFAOYSA-N
-rxn:4:200112:223895,CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1-c1ccc(OCCN2CCN(CC)CC2)cc1,JWAPDRKNPYQWGI-UHFFFAOYSA-N
-rxn:4:200166:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(C(C#N)C(=O)OC)c([N+](=O)[O-])c3)cc2)CC1,MEKIAKGUSFRQEA-UHFFFAOYSA-N
-rxn:4:200217:223753,Cc1ccc(-c2cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c2)cc1OCCCN1CCN(C)CC1,RXMODMTXQCRGHW-UHFFFAOYSA-N
-rxn:4:200355:224566,COC(=O)c1cc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)nn1CCC1CCCCC1,ILWZBOLALWBJCZ-UHFFFAOYSA-N
-rxn:4:200373:223753,CCOC(=O)c1sc(=NC(=O)c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)n(C)c1C,CIWPHAXHADBRCA-UHFFFAOYSA-N
-rxn:4:200377:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4ccccc4)c3)cc2F)CC1,FIBWCGRIDBBBSX-UHFFFAOYSA-N
-rxn:4:200377:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4ccccc4)c3)cc2)CC1,DFUODPNJXLLTST-UHFFFAOYSA-N
-rxn:4:200378:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4)cc3)cc2)CC1,ZRHIZODKLSQIOW-UHFFFAOYSA-N
-rxn:4:200423:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CC(Oc4ccnc(C(F)(F)F)c4)C3)cc2)CC1,SASQEYMHQXVOOC-UHFFFAOYSA-N
-rxn:4:200424:222799,COC(=O)CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(C)c3)cc2)CC1,HXJRCSTWUKDJDM-UHFFFAOYSA-N
-rxn:4:200451:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc(Cl)cc4)cc3)cc2)CC1,RYNDZCBXDVCDPA-UHFFFAOYSA-N
-rxn:4:200462:224612,CCN1CCN(CCOc2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)CC1,KIOGROMRGFIOLY-UHFFFAOYSA-N
-rxn:4:200483:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,USZKOJKMMAMGGM-UHFFFAOYSA-N
-rxn:4:200493:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)CCC2=O)C1,QZNDEPFCZUNLAV-UHFFFAOYSA-N
-rxn:4:200512:224198,CCN1CCN(Cc2ccc(-c3ccc(SC4CC(=O)N(c5cc([N+](=O)[O-])ccc5OC)C4=O)cc3)c(F)c2)CC1,NVXYGGHGWWEXJA-UHFFFAOYSA-N
-rxn:4:200520:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)CSC2=O)C1,RIYUYUIVJJIFSO-UHFFFAOYSA-N
-rxn:4:200531:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4ccc(C)cc4)c3)cc2)CC1,NZNPIHPHUMJUCR-UHFFFAOYSA-N
-rxn:4:200537:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N(C(=O)N4CCCCC4)c4ccc(Cl)cc4)o3)cc2)CC1,ABWGNLHBMZROEF-UHFFFAOYSA-N
-rxn:4:200563:223239,O=C(c1ccccc1-c1cncc(C2CCCN2)c1)N1CCC(CSC2=NCCS2)CC1,GAFVDSRNBFWKOC-UHFFFAOYSA-N
-rxn:4:200569:223746,COC(=O)c1ccc(C#Cc2ccc(-c3cccnc3OC3CCN(C(=O)OC4CCOCC4)C3)cc2)cc1,PSXDVPHJVUCDON-UHFFFAOYSA-N
-rxn:4:200575:224104,COc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)ccc1OCc1ccccc1,JFPQCNHEAPYEHH-UHFFFAOYSA-N
-rxn:4:200580:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SC(C)c4ccccc4)cc3)cc2)CC1,BJYPFOUIGCTRQV-UHFFFAOYSA-N
-rxn:4:200585:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CC(Oc5cc(C)n(C6CC6)c(=O)c5)C4)o3)cc2)CC1,ZREXLUCDRRKTGN-UHFFFAOYSA-N
-rxn:4:200595:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,UEPANAAMCDMUMK-UHFFFAOYSA-N
-rxn:4:200598:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(CC)CC1,ZPLPROJQKMFVSN-UHFFFAOYSA-N
-rxn:4:200600:223135,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cccnc1C1CCCNC1,DCYGBTMNABBNCQ-UHFFFAOYSA-N
-rxn:4:200601:223753,Cc1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)C(C)(C)C)o2)cc1OCCCN1CCN(C)CC1,AHJDOIFHZSQJEC-UHFFFAOYSA-N
-rxn:4:200601:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N(C(=O)N4CCCCC4)C(C)(C)C)o3)cc2)CC1,XDFVANXZJUODPU-UHFFFAOYSA-N
-rxn:4:200609:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2OC(F)(F)F)CC1,NBFCJEKNIDPEAD-UHFFFAOYSA-N
-rxn:4:200609:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,WEBUPWIXUHSLLI-UHFFFAOYSA-N
-rxn:4:200620:224319,Cc1cc(OCC2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)o3)CC2)ccn1,SRKISGYFBNSXSW-UHFFFAOYSA-N
-rxn:4:200620:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(C(=O)N2CCC(COc3ccnc(C)c3)CC2)o1,RVIOFCPLGMQUTM-UHFFFAOYSA-N
-rxn:4:200631:223279,O=C(CCN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S)N1CCOCC1,FXBOEVSSKBCAAQ-UHFFFAOYSA-N
-rxn:4:200631:223753,Cc1ccc(-c2cccc(C=C3SC(=S)N(CCC(=O)N4CCOCC4)C3=O)c2)cc1OCCCN1CCN(C)CC1,WHPAFEHNRXWTJK-UHFFFAOYSA-N
-rxn:4:200643:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,AQFJJXVBJPSKND-UHFFFAOYSA-N
-rxn:4:200645:223279,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2cnc(C3CCCN3)nc2)cc1,XKKJVFRSZITPQO-UHFFFAOYSA-N
-rxn:4:200649:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,UIOVESOYBUQOGK-UHFFFAOYSA-N
-rxn:4:200651:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GHJORKNGGFHMLS-UHFFFAOYSA-N
-rxn:4:200691:224612,CC(C)CN(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1[N+](=O)[O-])C1CCCCC1,JKJFCVBWIURZLX-UHFFFAOYSA-N
-rxn:4:200698:227390,COC(=O)c1cc(-c2ccnn2C2CCCCC2)ccc1CN1CCN(C(C)C)CC1,YKGWUEQBNFCVOJ-UHFFFAOYSA-N
-rxn:4:200700:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ICCMBTVMTGLMHT-UHFFFAOYSA-N
-rxn:4:200704:224077,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn([Si](C)(C)C(C)(C)C)c4ccccc34)cc2Cl)CC1,WMKRCSBTZHILKN-UHFFFAOYSA-N
-rxn:4:200705:225723,CN(C)CCOc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1Cl,VJARUSKCNAPICE-UHFFFAOYSA-N
-rxn:4:200719:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2C)CC1,AANUPUMHJDRLBK-UHFFFAOYSA-N
-rxn:4:200724:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,JBRPEDPIELUDAE-UHFFFAOYSA-N
-rxn:4:200724:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,XHNZLBFETHPHFV-UHFFFAOYSA-N
-rxn:4:200727:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1,WQLLZMYYOHGVSW-UHFFFAOYSA-N
-rxn:4:200734:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,IVXJITFKERCHEI-UHFFFAOYSA-N
-rxn:4:200745:222396,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1,WWKAZHOPOWAKAW-UHFFFAOYSA-N
-rxn:4:200749:226844,O=C(c1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)ccn1)C(F)(F)F,ADALPRVOALCCMN-UHFFFAOYSA-N
-rxn:4:200761:226844,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FFHQRPIWLZKSJP-UHFFFAOYSA-N
-rxn:4:200772:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(COc5ccncc5C)CC4)c(F)c3)c(F)c2)CC1,JYVABNXJEFHTHW-UHFFFAOYSA-N
-rxn:4:200774:224612,COc1cccc(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2S(C)(=O)=O)c1OC,JWRGANXSJMEJLH-UHFFFAOYSA-N
-rxn:4:200775:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C=C4SC(=S)N(c5ccc(N(CC)CC)cc5)C4=O)cc3)ccc2F)CC1,ZRTUCDPNAFURQN-UHFFFAOYSA-N
-rxn:4:200775:224198,CCN1CCN(Cc2ccc(-c3ccc(C=C4SC(=S)N(c5ccc(N(CC)CC)cc5)C4=O)cc3)c(F)c2)CC1,LTGRJSVLWCPECR-UHFFFAOYSA-N
-rxn:4:200775:224612,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)SC2=S)cc1,GMTOVXQQJYSUQW-UHFFFAOYSA-N
-rxn:4:200782:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,LJGPHHDIKAFKBN-PBVYKCSPSA-N
-rxn:4:200787:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,NBWIVMCUXDCXKV-BJQOMGFOSA-N
-rxn:4:200804:224612,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NC2(C)C)cc1OC,QWMZOTKNKFOMOD-UHFFFAOYSA-N
-rxn:4:200804:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC2(C)C)cc1OC,IMBVHODGBJBXFK-UHFFFAOYSA-N
-rxn:4:200812:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCC2)CC1,KNGWBDVFGXQCPX-UHFFFAOYSA-N
-rxn:4:200813:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DGYPRJUWDNFZMY-UHFFFAOYSA-N
-rxn:4:200814:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,VXYNQCUKXHDIHZ-UHFFFAOYSA-N
-rxn:4:200816:225723,C[C@@H]1CN(Cc2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2)CCN1C(=O)OC(C)(C)C,NZQSCLUHEMGTDP-HXUWFJFHSA-N
-rxn:4:200816:226844,C[C@@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCN1C(=O)OC(C)(C)C,REPKHQYHPKIZII-MRXNPFEDSA-N
-rxn:4:200817:223279,CC(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(C(=O)OC(C)(C)C)CC1,DRNUMKYBLNZZDR-UHFFFAOYSA-N
-rxn:4:200820:225723,C[C@@H]1CN(Cc2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,IVUJCMXYWQBKKG-LJQANCHMSA-N
-rxn:4:200824:223239,Cc1ccc(-c2cncc(C3CCCN3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ARDAYSGISQPBPT-UHFFFAOYSA-N
-rxn:4:200826:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MNHZVLZIZGMTIC-UHFFFAOYSA-N
-rxn:4:200827:224463,CC(=O)c1ccc(-c2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c(F)cc3F)cc2)cc1,UBFPSQQAPJDKQL-UHFFFAOYSA-N
-rxn:4:200828:227549,COC(=O)c1cc(Cl)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c(F)cc1F,CRGBTKRYOBSLIX-UHFFFAOYSA-N
-rxn:4:200840:225408,COC(=O)C1CCCN(Cc2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2N2CCCC2)C1,HDHKVCSAPHWVQA-UHFFFAOYSA-N
-rxn:4:200841:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,NMTSJBPOQYWMLJ-UHFFFAOYSA-N
-rxn:4:200841:226249,CCCCOc1cc(Cl)cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCC3)c2)c1,IOTZPPXYULEUMF-UHFFFAOYSA-N
-rxn:4:200855:222636,Cc1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1,AMUNGGOVPYSWPI-OAQYLSRUSA-N
-rxn:4:200863:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,GSJQNHLTGDSOJL-HSTJUUNISA-N
-rxn:4:200868:223279,CC(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,DPLOJMAIGWXSEO-UHFFFAOYSA-N
-rxn:4:200869:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc(-c2cnc(C3CCCN3)nc2)c1,RNUUEVYAHCVGBT-UHFFFAOYSA-N
-rxn:4:200876:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCC3)cc1OC,YQUHZMYJPPYOEY-UHFFFAOYSA-N
-rxn:4:200883:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cnc(C3CCCN3)nc1)C2,BPXABLSOCMTUOZ-UHFFFAOYSA-N
-rxn:4:200897:223279,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,HSXWABJHQXGOIN-UHFFFAOYSA-N
-rxn:4:200898:226844,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YBTGKFSAANDIAG-UHFFFAOYSA-N
-rxn:4:200905:224198,CCN1CCN(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3C)c(F)c2)CC1,ILRGGWOKOUOMNA-UHFFFAOYSA-N
-rxn:4:200928:223753,Cc1ccc(-c2ccc(C(=O)CSc3nc4c(cc3C#N)CCC4)cc2)cc1OCCCN1CCN(C)CC1,JAILWXFXHLUCPL-UHFFFAOYSA-N
-rxn:4:200960:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)OCC(=O)N4CCCc5ccccc54)c3)cc2)CC1,ILRZPNKNTLKLBQ-UHFFFAOYSA-N
-rxn:4:200966:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(C(=O)OC)ccc5n4CC)s3)cc2)CC1,JYQNACGLGPLVLQ-UHFFFAOYSA-N
-rxn:4:200970:223928,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)sc2cccc(F)c21,FHCGQIWQIJBBER-UHFFFAOYSA-N
-rxn:4:201022:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(C(=O)OC)ccc5n4CC)cc3)cc2)CC1,LEJIBOGCFSTQOK-UHFFFAOYSA-N
-rxn:4:201060:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc5ccccc45)cc3)ccc2F)CC1,QBYBOPKXLGUCLG-UHFFFAOYSA-N
-rxn:4:201085:226844,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,VTCJJAUKGPWNHU-UHFFFAOYSA-N
-rxn:4:201089:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3s2)CC1,FJZYKYDYQVNFSB-UHFFFAOYSA-N
-rxn:4:201091:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(OC)c4oc(=O)c(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4c3)c2)CC1,OTRYGGFNYFTQCX-UHFFFAOYSA-N
-rxn:4:201108:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2CC3CCCC3C2)C1,DSJXPWPHXIIVMJ-UHFFFAOYSA-N
-rxn:4:201109:223279,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)C1,POSGYEODEXBCPR-UHFFFAOYSA-N
-rxn:4:201113:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,KYIJTSGUHYYXEW-UHFFFAOYSA-N
-rxn:4:201123:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,NMYJBJZMPPNMDG-UHFFFAOYSA-N
-rxn:4:201124:226294,COc1cc(OC(C)C)ccc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,XQOLDYYHNVVZAP-UHFFFAOYSA-N
-rxn:4:201134:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c3ccccc23)CC1,OEWNIAMACSEOTF-UHFFFAOYSA-N
-rxn:4:201143:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2CCc3sccc3C2)CC1,IZBXDHXUDZBDAO-UHFFFAOYSA-N
-rxn:4:201153:224059,COc1c(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5o4)c4ccccc43)cc2)cc(C(C)(C)C)cc1C(C)(C)C,ZRRVNTWONSZTNV-UHFFFAOYSA-N
-rxn:4:201171:224625,CC(C)Oc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(Cl)c1OC(C)C,LTAFMNHZKTXCPV-UHFFFAOYSA-N
-rxn:4:201171:225723,CN(C)CCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,JCBUVMNSWHDUTC-UHFFFAOYSA-N
-rxn:4:201171:226844,O=C(c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccn1)C(F)(F)F,KFWIIJHHBQLDRE-UHFFFAOYSA-N
-rxn:4:201182:224612,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)N1CCCN1CCOCC1,BKXNRJOJRCBOSY-UHFFFAOYSA-N
-rxn:4:201203:223753,Cc1ccc(-c2cc(C(=O)CC#N)cc([N+](=O)[O-])c2)cc1OCCCN1CCN(C)CC1,WABOOLCDKVAOIG-UHFFFAOYSA-N
-rxn:4:201247:223753,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1C#N,DAJWMAAONQUAKT-UHFFFAOYSA-N
-rxn:4:201253:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)OC)c(C#N)c3[N+](=O)[O-])cc2)CC1,WPLXMXMWWRGVDE-UHFFFAOYSA-N
-rxn:4:201359:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCC4)c(C#N)c3)c(F)cc2C)CC1,JPDJGJNNXIQPAJ-UHFFFAOYSA-N
-rxn:4:201379:226844,CC(=O)n1nc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1C(F)(F)C(F)(F)C(F)(F)F,AWXOYVCEXVKDNO-UHFFFAOYSA-N
-rxn:4:201516:223753,Cc1ccc(-c2ccc(S(=O)(=O)c3cc(C(F)(F)F)cnc3C#N)cc2)cc1OCCCN1CCN(C)CC1,IIMCOGARXZGNSO-UHFFFAOYSA-N
-rxn:4:201572:222612,CCOC(=O)c1nc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)sc1N1CCOCC1,NAIQRMPVWWEQPV-UHFFFAOYSA-N
-rxn:4:201621:224782,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1,QFLSRNGLQCNDOM-UHFFFAOYSA-N
-rxn:4:201673:225723,CN(C)CCOc1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(F)c2)cc1Cl,XCURBEMXYNGQQH-UHFFFAOYSA-N
-rxn:4:201675:225723,CN(C)CCOc1ccc(-c2ccc(F)c(N3CCCC(C(=O)CC#N)C3=O)c2)cc1Cl,SBAYGZNZUWIRGD-UHFFFAOYSA-N
-rxn:4:201746:222655,O=C(NC1CCCCC1)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)C3CC3)C2)cc1Cl,RIPINSGMNRRXIM-UHFFFAOYSA-N
-rxn:4:201759:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(CC(=O)N2CCC(C(F)(F)F)CC2)c1,LEONBWCYTCGAMQ-UHFFFAOYSA-N
-rxn:4:201765:223032,CCCNC(=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c(F)c1,OBVDMVMTNQYKEV-UHFFFAOYSA-N
-rxn:4:201765:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1Cl,NBFVUHOCKHHZSM-UHFFFAOYSA-N
-rxn:4:201776:224612,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(OCCN4CCOCC4)cc3)s2)C1,HGNRUYHTMFGCBH-UHFFFAOYSA-N
-rxn:4:201814:224312,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1ccc(F)c(C(=O)N2CCN(C)CC2)c1,SSJNEVYGDCMVCI-UHFFFAOYSA-N
-rxn:4:201834:222836,CC(C)(C)CC(=O)Nc1ccc(-c2csc(C3=CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,LQJIRADFBSSXMM-UHFFFAOYSA-N
-rxn:4:201842:224247,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,VRLJHNGYBRHPGX-UHFFFAOYSA-N
-rxn:4:201844:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(OC(F)(F)F)cc(N4CCN(CC)CC4)c3)c2)CC1,LTMGGFSJSYCPOI-UHFFFAOYSA-N
-rxn:4:201862:223279,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],ZHCXMPPTUXTABE-UHFFFAOYSA-N
-rxn:4:201869:223753,Cc1ccc(-c2ccc(C(=O)N3CCCC(Oc4ccncc4Cl)C3)o2)cc1OCCCN1CCN(C)CC1,CMUSSMBWPCBXAJ-UHFFFAOYSA-N
-rxn:4:201906:223059,COc1ccc(-c2ccc(N3CCNCC3)cc2Cl)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,NTYULKVXDNEZQQ-UHFFFAOYSA-N
-rxn:4:201939:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(C)c3)ccc2F)CC1,RXQITSUOAURICZ-UHFFFAOYSA-N
-rxn:4:201942:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)C)CC3)cc2)cc1,BJDWJOKYUZXCLI-UHFFFAOYSA-N
-rxn:4:201976:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4c4ccccc4)cc3OC)cc2)CC1,KULVWEIQLSWZOB-UHFFFAOYSA-N
-rxn:4:201996:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)cc1,CZQROCKLQHSALK-UHFFFAOYSA-N
-rxn:4:201998:225976,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2F)ccn1,QMGNDPDBUGOEKR-UHFFFAOYSA-N
-rxn:4:201999:225733,CCCCOc1cc(-c2cccc(C3COCCN3C(=O)OC(C)(C)C)n2)c(F)cc1F,XEUWVEUQTAFUCS-UHFFFAOYSA-N
-rxn:4:202010:223079,CC(C)NS(=O)(=O)c1cccc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,HDIBPQKQKXEUAA-UHFFFAOYSA-N
-rxn:4:202040:223569,Cc1cc(OC2CN(C(=O)c3cccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3C)C2)ccn1,NGFQOAPWVPKSKS-UHFFFAOYSA-N
-rxn:4:202069:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,SMYSEJCRQFZCCW-UHFFFAOYSA-N
-rxn:4:202071:224059,COc1c(-c2cnccc2OC2CCN(C(=O)C3CCOCC3)C2)cc(C(C)(C)C)cc1C(C)(C)C,OILLVLOBHVXIFT-UHFFFAOYSA-N
-rxn:4:202075:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)c1,KFJSXJLXIAMPOK-UHFFFAOYSA-N
-rxn:4:202075:226844,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1=O,CYGHPHDRYFFZBD-UHFFFAOYSA-N
-rxn:4:202095:223122,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccc(NC(=O)C(C)C)c1,AJWCGIDIHFRCPA-UHFFFAOYSA-N
-rxn:4:202102:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)s1,HKTCSZZDBZGAJK-UHFFFAOYSA-N
-rxn:4:202126:223074,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(NS(=O)(=O)C2CC2)c1,KMPNSICAYGNBFF-UHFFFAOYSA-N
-rxn:4:202126:224328,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,LHLFGDNEGODRTH-UHFFFAOYSA-N
-rxn:4:202128:226844,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2Cl)CC1,MAFZWODCDKMZCR-UHFFFAOYSA-N
-rxn:4:202143:223279,COc1cc(C)c(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,SFAAVXGIVXYHMZ-UHFFFAOYSA-N
-rxn:4:202149:223696,O=S(=O)(c1ccccc1)N1CCN(C(=S)c2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c2)CC1,LPLDOFUTXLNTTD-UHFFFAOYSA-N
-rxn:4:202150:224612,CCC1(C)N=C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C(=S)N1C(=O)c1ccccc1,MGKWTAYITKOEGY-UHFFFAOYSA-N
-rxn:4:202153:226844,O=C(CN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S)N1CCCCC1,NOHOCZXARXDVSX-UHFFFAOYSA-N
-rxn:4:202159:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N=C(c4ccc(Cl)cc4)N4CCOCC4)cc3)cc2)CC1,WYMQCMPBJPCYSB-UHFFFAOYSA-N
-rxn:4:202159:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N=C(c4ccc(Cl)cc4)N4CCOCC4)cc3)c2)CC1,BORNFVVWLRIVNH-UHFFFAOYSA-N
-rxn:4:202160:222865,CCCCNC(=O)c1ccc(-c2ccc(N3CCC(=O)N(Cc4ccc(OC)cc4)C3=O)cc2F)cc1Cl,ZESYQXQRWBMMPG-UHFFFAOYSA-N
-rxn:4:202164:223753,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c(C)cc2OC)CC1,SYYDIJFRHXKMPT-UHFFFAOYSA-N
-rxn:4:202166:226844,O=C(c1cc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)ccn1)C(F)(F)F,XETMOOMWMYQCHY-UHFFFAOYSA-N
-rxn:4:202169:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCCC1,UJAGAOOFBSGISY-UHFFFAOYSA-N
-rxn:4:202170:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,VBLRRUZAUVFVCE-UHFFFAOYSA-N
-rxn:4:202171:223753,Cc1ccc(-c2ccc(C3=NN(C(=O)c4ccco4)C(C(C)(C)C)C3)cc2)cc1OCCCN1CCN(C)CC1,QJRQCTYULNTGGR-UHFFFAOYSA-N
-rxn:4:202173:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(F)c2)CC1,GDXYAPZOFBOWJG-UHFFFAOYSA-N
-rxn:4:202175:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCC4C(=O)N4CCOCC4)cc3)cc2)CC1,XPONKQCSTZBRJQ-UHFFFAOYSA-N
-rxn:4:202185:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(OC)cc5)C4=S)cc3)c2)CC1,YGQAKCVBVYNWHG-UHFFFAOYSA-N
-rxn:4:202193:225802,CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2ccc(OC3CCCC3)nc2F)cc1,UOJOYHKGKVHHQG-DHIUTWEWSA-N
-rxn:4:202198:225309,O=C(C1CN(Cc2cccc(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)c2)CCO1)N1CCSCC1,KZFLHYBSKKFLTN-UHFFFAOYSA-N
-rxn:4:202209:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3OC)c2)CC1,DPJURAMVKOBYOW-UHFFFAOYSA-N
-rxn:4:202224:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1,DPQLEMMVNHXEHA-UHFFFAOYSA-N
-rxn:4:202227:223137,Cc1cc(-c2cncc(C3CCCNC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,XIMVYFUOCBYXSU-UHFFFAOYSA-N
-rxn:4:202227:223937,Cc1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,CBCCTFYOGHWQRE-UHFFFAOYSA-N
-rxn:4:202230:226844,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,YYWLIAYDGQYYFV-UHFFFAOYSA-N
-rxn:4:202236:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,HDHQDOZACBNQKO-UHFFFAOYSA-N
-rxn:4:202258:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccccc5)c(N5CCOCC5)o4)cc3)cc2)CC1,UJPRTVUXIOGDKB-UHFFFAOYSA-N
-rxn:4:202261:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,VSVRNFKOYODSMH-UHFFFAOYSA-N
-rxn:4:202267:224709,O=C(C1CN(Cc2cccc(-c3c(OC(F)(F)F)ccc4ccccc34)c2)CCO1)N1CCCCC1,DYVIGHYJNNLGJG-UHFFFAOYSA-N
-rxn:4:202269:226844,O=C(C1CCCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCSCC1,QVDCBDYAXWTXOV-UHFFFAOYSA-N
-rxn:4:202270:226844,O=C(C1CCCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCOCC1,FUOWLEOSHFCLPC-UHFFFAOYSA-N
-rxn:4:202272:226844,O=C(C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1)N1CCSCC1,AEIHABZGBZEIPL-UHFFFAOYSA-N
-rxn:4:202274:223960,CCN1CCN(C(=O)c2cc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)ccc2F)CC1,RPUIPINURKJRGP-VEEOACQBSA-N
-rxn:4:202275:226844,COC1CCN(C2CCN(C(=O)c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3Cl)CC2)C1,HHUUYPVZCPLIAL-UHFFFAOYSA-N
-rxn:4:202278:224198,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(CC)CC4)cc3F)cc2)CC1,JBSQVTOQIWUKOZ-UHFFFAOYSA-N
-rxn:4:202284:223168,COc1ccc(-c2cccnc2N2CCNCC2)cc1CN1CCC(N2CCCC2)CC1,QVKMEGOJAWQJCE-UHFFFAOYSA-N
-rxn:4:202284:225679,COc1ccc(-c2ccc(N3CCCCC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,AXNCCKQWRDIQIH-UHFFFAOYSA-N
-rxn:4:202284:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCC(N2CCCC2)CC1,XWDPVJUTMHOOQP-UHFFFAOYSA-N
-rxn:4:202287:223239,O=C(c1ccccc1-c1cncc(C2CCCN2)c1)N1CCCSCC1CN1CCOCC1,SMUCNXGLNTWNBU-UHFFFAOYSA-N
-rxn:4:202287:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCSCC1CN1CCOCC1,VNSFHXPUOGEVIA-UHFFFAOYSA-N
-rxn:4:202290:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)C1,VOQZCFAKKOOIGU-UHFFFAOYSA-N
-rxn:4:202291:224625,CC(C)Oc1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)cc(Cl)c1OC(C)C,OKFUQMMAHUPZQL-UHFFFAOYSA-N
-rxn:4:202291:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,NGHBCEHWDYYQDL-UHFFFAOYSA-N
-rxn:4:202305:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccco5)oc4N4CCC(C)CC4)cc3)cc2)CC1,BOTRUFRFCSVEMJ-UHFFFAOYSA-N
-rxn:4:202310:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCCSCC1CN1CCOCC1,OZBBBAJDETZGQT-UHFFFAOYSA-N
-rxn:4:202310:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)c2)CC1,CVOABRINQAFHMB-UHFFFAOYSA-N
-rxn:4:202315:224376,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)CC2)cc(=O)n1C,ZSJOIIYWEVLOBT-UHFFFAOYSA-N
-rxn:4:202328:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)CC1,KARJVVWBWGEJNR-UHFFFAOYSA-N
-rxn:4:202349:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)cc1,QNESPIIIGUSDCM-UHFFFAOYSA-N
-rxn:4:202352:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC3)ccc1F,LXLXQMLHUCCADI-UHFFFAOYSA-N
-rxn:4:202353:223895,CCN1CCN(CCOc2ccc(-c3cc(C=C4SC(=Nc5ccc(C)cc5)N(c5ccc(C)cc5)C4=O)ccc3OC)cc2)CC1,DRSVGBCIGWTLLA-UHFFFAOYSA-N
-rxn:4:202353:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(C=C4SC(=Nc5ccc(C)cc5)N(c5ccc(C)cc5)C4=O)ccc3OC)c2)CC1,UWIIWJMFNVLDNY-UHFFFAOYSA-N
-rxn:4:202354:223960,CCN1CCN(C(=O)c2cc(-c3cc(C4N(c5cccc(C)c5)CCN4c4cccc(C)c4)ccc3OC)ccc2F)CC1,MREVJPDDSGBJLH-UHFFFAOYSA-N
-rxn:4:202457:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(F)F)c3cnn(C(=O)OC(C)(C)C)c3c2)cc1,ZZLLEOZAWXWWMA-UHFFFAOYSA-N
-rxn:4:202492:223886,CC(C)(C)OC(=O)Cn1cnc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2c1=O,FRGMMVRURWEJSC-UHFFFAOYSA-N
-rxn:4:202564:226844,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3C2=O)C1,ZDMFMAWMLJKTAW-UHFFFAOYSA-N
-rxn:4:202606:224350,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1,RUTBXLKJPNYCRM-UHFFFAOYSA-N
-rxn:4:202636:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4oc(=O)c(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4c3)c2)CC1,IMLYCKPJJFNZAX-UHFFFAOYSA-N
-rxn:4:202653:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3cc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)c1,MRNSQJDPKUTVFV-UHFFFAOYSA-N
-rxn:4:202674:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CC1,XSMSMULXFJPXCI-UHFFFAOYSA-N
-rxn:4:202676:223904,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc21,MPQMPCKCCLBJJY-UHFFFAOYSA-N
-rxn:4:202682:223279,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,XLBMDWYLPMNRND-UHFFFAOYSA-N
-rxn:4:202684:226844,CC(C)(C)OC(=O)N1CC(N2CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2)C1,NEBFZGUPWJIZTO-UHFFFAOYSA-N
-rxn:4:202689:228591,CC(C)c1cnccc1-c1ccc2c(c1)CN(C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O)C2=O,CRCFXVUULWSYSD-UHFFFAOYSA-N
-rxn:4:202690:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(CCc3ccc(S(N)(=O)=O)cc3)C(=O)C(C)O4)cc2)CC1,KGTCDXHOJUXAHU-UHFFFAOYSA-N
-rxn:4:202690:224612,CC1Oc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,HNXVJYTXBRTTCN-UHFFFAOYSA-N
-rxn:4:202690:225723,CC1Oc2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,KURDCYIGACNULJ-UHFFFAOYSA-N
-rxn:4:202707:223753,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,UYMDXSVEXXJXEG-UHFFFAOYSA-N
-rxn:4:202707:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)cc2)CC1,RHUZAAFAVPLJGJ-UHFFFAOYSA-N
-rxn:4:202707:225723,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3F)C3CS(=O)(=O)CC32)c1,AFCCLJOGEGOZIG-UHFFFAOYSA-N
-rxn:4:202710:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)c1,JEUVGTRMXXJEBO-UHFFFAOYSA-N
-rxn:4:202727:222859,CN(C)CCNC(=O)c1ccc(-c2ccc(CC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)cc1,UHZLRZUNJYSKBX-UHFFFAOYSA-N
-rxn:4:202751:224612,COc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1,KZRHEQMTMYXZFX-UHFFFAOYSA-N
-rxn:4:202760:226896,COCn1cc(-c2cc(OC)c3oc(=O)c(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3c2)c(C(F)(F)F)n1,WXMDRUQTUXTUQQ-UHFFFAOYSA-N
-rxn:4:202805:224704,CC1CCN(c2cc(-c3cccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCN4CCOCC4)c3)cc(F)c2F)CC1,AYGABMXOPNLBJG-UHFFFAOYSA-N
-rxn:4:202807:226838,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C#N)c(C(F)(F)F)c2)cc1,IUDWKWLDGVRJRV-UHFFFAOYSA-N
-rxn:4:202808:223649,COc1cccc(C2c3c(oc4ccc(-c5cccc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,WTTNNNPNFUNDEI-UHFFFAOYSA-N
-rxn:4:202890:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C#N)n1,QTLALYCQOYBHHL-UHFFFAOYSA-N
-rxn:4:203691:224795,CCN(CC)S(=O)(=O)c1cc(-c2cccc(N3CCC(C(F)(F)F)CC3)c2C#N)ccc1F,KBGNYLGUFFXBMX-UHFFFAOYSA-N
-rxn:4:203702:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cnc(C(=O)N2CCCC(C(F)(F)F)C2)c(Cl)c1,NLSVWVCUNMSAOC-UHFFFAOYSA-N
-rxn:4:203708:225294,CCN1CCN(c2ncc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cn2)CC1,MFXKEDPDYACXPK-UHFFFAOYSA-N
-rxn:4:203708:225872,O=C(c1ccccc1-c1cc(F)c(F)c(N2CCCC2)c1)N1CC(N2C(=O)COC2=O)C1,DKOUEBLXIWUSDZ-UHFFFAOYSA-N
-rxn:4:203712:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,AWYOZECFPQEAMP-UHFFFAOYSA-N
-rxn:4:203760:226844,O=C(c1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,CONSNLMSSPSCLY-UHFFFAOYSA-N
-rxn:4:203764:226844,O=C(c1cc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)ccn1)C(F)(F)F,XGKMINBNWRRSDL-UHFFFAOYSA-N
-rxn:4:203796:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C(=O)C(=Cc5ccccc5[N+](=O)[O-])SC4=S)c3)cc2)CC1,DNPKVLGZRJGHKD-UHFFFAOYSA-N
-rxn:4:203796:224198,CCN1CCN(Cc2ccc(-c3cccc(N4C(=O)C(=Cc5ccccc5[N+](=O)[O-])SC4=S)c3)c(F)c2)CC1,QCGJYORDWQYJMX-UHFFFAOYSA-N
-rxn:4:203894:224198,CCN1CCN(Cc2ccc(-c3cccc(CS(=O)(=O)N4CCN(C)CC4)c3)c(F)c2)CC1,ULIFLBKOAWQHRY-UHFFFAOYSA-N
-rxn:4:203903:223650,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,VBCBUZZREOKVFC-UHFFFAOYSA-N
-rxn:4:203931:225899,COc1cc(N2CCCC(C)C2)c(-c2cc(C)nn2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],FOTYPJMBONJGKM-UHFFFAOYSA-N
-rxn:4:203975:223895,CCN1CCN(CCOc2ccc(-c3cc(F)c(C(=O)N4CCN(C(C)C)CC4)c(F)c3)cc2)CC1,JHEWSVOHCAIWHN-UHFFFAOYSA-N
-rxn:4:203977:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,XIDZYNAFPOJVMQ-UHFFFAOYSA-N
-rxn:4:203985:223239,O=C(c1ccccc1-c1cncc(C2CCCN2)c1)N1CCC(N2C(=O)COC2=O)CC1,XPPXKOKCZMRLAF-UHFFFAOYSA-N
-rxn:4:204011:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC(N(C)C)CC4)cc3)c2)CC1,CVBGQUBHJOJJFU-UHFFFAOYSA-N
-rxn:4:204012:224612,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)CC1,DZQIUICNADZUFE-UHFFFAOYSA-N
-rxn:4:204045:222524,O=C(c1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1,HHZSUTLEUONKJV-UHFFFAOYSA-N
-rxn:4:204047:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccccc5)C4=S)cc3)cc2)CC1,YHEUOYRBRIQEOL-UHFFFAOYSA-N
-rxn:4:204050:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2)CC1,ZJESEHRDCYWFII-UHFFFAOYSA-N
-rxn:4:204057:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)cc2)CC1,IRPZIEGQTARBLY-UHFFFAOYSA-N
-rxn:4:204070:224773,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,VZRGWQKOXAYELY-UHFFFAOYSA-N
-rxn:4:204078:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(C)cc5)C4)cc3)cc2)CC1,YSOYIJXKFCUNJD-UHFFFAOYSA-N
-rxn:4:204094:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C)cc(CN3CCN(C(C)C)CC3)c2)c1,NSMDQCXNTVOPLS-UHFFFAOYSA-N
-rxn:4:204096:224462,CC(C)N1CCN(C(C)c2cccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)c2)CC1,CKBKDXDAEVMHQO-UHFFFAOYSA-N
-rxn:4:204099:222389,c1cc(CN2CCOCC2)c(N2CCOCC2)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QOHYCJCZNXFMHS-UHFFFAOYSA-N
-rxn:4:204114:222947,O=C(c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)o1)N1CCCN(C2CCSCC2)CC1,NSBDUEPQEMEPQU-UHFFFAOYSA-N
-rxn:4:204127:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccccc5)C4=S)cc3)c(F)c2)CC1,WUBPXWRKYRICNH-UHFFFAOYSA-N
-rxn:4:204136:226844,O=C(c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,OYLHOLYCQPGQKI-UHFFFAOYSA-N
-rxn:4:204151:226844,O=C(c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)ccn1)C(F)(F)F,XDACXPDRZIXIAF-UHFFFAOYSA-N
-rxn:4:204152:223279,FC1(F)CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,XWOYMPTUDFFHKY-UHFFFAOYSA-N
-rxn:4:204159:224612,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(OCCN2CCOCC2)cc1,WLKWMVVAZFKGAE-UHFFFAOYSA-N
-rxn:4:204161:223753,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)=NC23CCCC3)cc1,SOMHNRBZOFXFTO-UHFFFAOYSA-N
-rxn:4:204162:223753,Cc1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1OCCCN1CCN(C)CC1,MANCQSZBBAXKJR-UHFFFAOYSA-N
-rxn:4:204164:224612,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NC12CCCCC2,DFRFQINARLQNFJ-UHFFFAOYSA-N
-rxn:4:204175:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccccc5)C4=S)cc3)cc2)CC1,HIICPMCKENHEBL-UHFFFAOYSA-N
-rxn:4:204175:224612,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NC12CCCCCC2,WLYJEPRNYMBFGP-UHFFFAOYSA-N
-rxn:4:204175:225723,CN(C)CCOc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1Cl,VFQJHMPYVLQHHU-UHFFFAOYSA-N
-rxn:4:204176:223755,CC1CCN(CCCOc2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2F)CC1,CCHUDDATIQRUCE-UHFFFAOYSA-N
-rxn:4:204177:223279,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,BOSQCXWVXGPKQL-UHFFFAOYSA-N
-rxn:4:204177:225723,CN(C)CCOc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc1Cl,MHSMYHBDBGUVIB-UHFFFAOYSA-N
-rxn:4:204185:226094,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccc(OCCC(C)C)cc1,WCJYWWVHLIRBDQ-UHFFFAOYSA-N
-rxn:4:204204:223755,CC1CCN(CCCOc2ccc(-c3cc4c(OS(=O)(=O)C(F)(F)F)ccnn4c3)cc2F)CC1,BTSJFXKIMIFWQM-UHFFFAOYSA-N
-rxn:4:204355:223919,CCOC(=O)c1nc(-c2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)n2c1COCC2,BPGCANRCLCACBP-UHFFFAOYSA-N
-rxn:4:204403:223922,COCn1ncc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)c1C12CCCC1O2,TULWPEQCXUNFFT-UHFFFAOYSA-N
-rxn:4:204513:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)CC1,NQXHMTBGFPFCND-UHFFFAOYSA-N
-rxn:4:204585:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,HVUHZSYVFIRUPU-UHFFFAOYSA-N
-rxn:4:204585:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,YKDUOZORBQTDEM-UHFFFAOYSA-N
-rxn:4:204607:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3ccn(CC(=O)N4CCC(=O)CC4)c3c2)c1,YWYSFWGFJDNEGY-UHFFFAOYSA-N
-rxn:4:204609:224022,COC(=O)c1nn(C2CCCCO2)c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c12,CDUAMUPUHSCZME-UHFFFAOYSA-N
-rxn:4:204640:223753,Cc1ccc(-c2ccc(C(=O)N=c3sc4cc(S(C)(=O)=O)ccc4n3C)s2)cc1OCCCN1CCN(C)CC1,PTSRZUULTBSNPA-UHFFFAOYSA-N
-rxn:4:204695:228317,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(C(=O)OC)nc2)c1,BPFBBDCMTHJCSU-UHFFFAOYSA-N
-rxn:4:204756:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,BANJIVXTBSYFEH-UHFFFAOYSA-N
-rxn:4:204779:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cc(F)ccc5F)S(=O)(=O)c5ccccc54)cc3)c(F)c2)CC1,KJOAIOHXNGYLLR-UHFFFAOYSA-N
-rxn:4:204786:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccccc54)c3)cc2)CC1,ZAOILRPLUZAIGR-UHFFFAOYSA-N
-rxn:4:204799:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)cc1OCCCN1CCN(C)CC1,GNAASMSVSJYJIW-UHFFFAOYSA-N
-rxn:4:204808:224612,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,WZPUCQIEULNNJR-UHFFFAOYSA-N
-rxn:4:204823:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5ccc(C)c(F)c5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,QOIPGWJOGKNIGY-UHFFFAOYSA-N
-rxn:4:204835:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc1OCCCN1CCN(C)CC1,JGBIYRBYYCCIJR-UHFFFAOYSA-N
-rxn:4:204835:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,QEYVWULKFOJSEU-UHFFFAOYSA-N
-rxn:4:204842:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCOCC5)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,YHUIBPOYOUKEJI-UHFFFAOYSA-N
-rxn:4:204846:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cc(C)ccc5C)C5CS(=O)(=O)CC54)c(F)c3)c(F)c2)CC1,BHCQDTAAZMGYOV-UHFFFAOYSA-N
-rxn:4:204860:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,QEQCBRYVEANGGC-UHFFFAOYSA-N
-rxn:4:204864:223653,COc1cc2cc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)cc3C)n(C(=O)OC(C)(C)C)c2cc1Cl,NPGZDEMTXPXGHE-UHFFFAOYSA-N
-rxn:4:204865:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)c2)cc1OCCCN1CCN(C)CC1,UPHNINOWPGPTFR-UHFFFAOYSA-N
-rxn:4:204868:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2)CC1,SDXVGOCUZZYPQU-UHFFFAOYSA-N
-rxn:4:204868:226844,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,FGRALFZNACQYJZ-UHFFFAOYSA-N
-rxn:4:204872:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C(=O)C5ON(c6ccc(Cl)cc6)C(c6ccc(C)cc6)C5C4=O)cc3)c2)CC1,PRDLVSMHGQDGHR-UHFFFAOYSA-N
-rxn:4:204875:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,PAAAGWJKXBOBQO-UHFFFAOYSA-N
-rxn:4:204893:226844,CC(C)(C)OC(=O)N1C2CCCC1c1sc(-c3ccnc(C(=O)C(F)(F)F)c3)nc1C2,ZMOHECNYIWPXPM-UHFFFAOYSA-N
-rxn:4:205506:223489,COc1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(OC)n1,HZTGQFICGATQIQ-UHFFFAOYSA-N
-rxn:4:205754:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C#N)c(N4CC(F)(F)C4)c3)c2F)C1,UFRSAIUUZDQRSW-UHFFFAOYSA-N
-rxn:4:205965:223753,Cc1ccc(-c2ccc([N+](=O)[O-])c(N3CC(F)(F)C3)c2)cc1OCCCN1CCN(C)CC1,ZCCZEZHBWXNHPR-UHFFFAOYSA-N
-rxn:4:206407:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CC=CCC3)c2)CC1,PPYVVKBOIARJON-UHFFFAOYSA-N
-rxn:4:206407:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CC=CCC3)c2)CC1,ZSOGUPAYTBLTQS-UHFFFAOYSA-N
-rxn:4:206600:223784,CCN1CCN(CCOc2ccc(-c3ccc(C4=N[C@@H](C(C)C)CO4)nc3)cc2F)CC1,SBSUAJCEILPAIK-HSZRJFAPSA-N
-rxn:4:206604:223841,Cc1cc(F)c(-c2c(C3CCCCC3)ccnc2C#N)cc1S(=O)(=O)N1CCN(C)CC1,NIJVOUXVLLXGHV-UHFFFAOYSA-N
-rxn:4:206639:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(F)(F)CC4)cc3C#N)cc2)CC1,NMTUNFFVGRKGQC-UHFFFAOYSA-N
-rxn:4:206639:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(F)(F)CC4)cc3C#N)cc2)CC1,PZVYVDCAWBBKSG-UHFFFAOYSA-N
-rxn:4:206683:222465,Fc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1CN1CCCCC1,NHDXUUOBNHSTHK-UHFFFAOYSA-N
-rxn:4:206807:222845,CC(c1ccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)cc1)N1CCNCC1,JWRIDMCSGDHPAR-UHFFFAOYSA-N
-rxn:4:206913:223835,CCC1CCCCN1c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cn1,RBTDFZAOZMJMKK-UHFFFAOYSA-N
-rxn:4:206970:224590,CC1CCN(Cc2ccc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,QNWDAYPRAGYSKU-UHFFFAOYSA-N
-rxn:4:206976:224672,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)c(Cl)c2)CC1,WESDIWAOJKRPHB-UHFFFAOYSA-N
-rxn:4:206980:223755,CC1CCN(CCCOc2ccc(-c3ccc(F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2F)CC1,OEIWQRSADRWYSU-UHFFFAOYSA-N
-rxn:4:207061:224329,CN1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)c2)CC1,GBGAPQNBYXRXOM-UHFFFAOYSA-N
-rxn:4:207077:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)c2)C1,XRFLAOYBNRSXSP-UHFFFAOYSA-N
-rxn:4:207480:223895,CCN1CCN(CCOc2ccc(-c3cc4c(cc3S(N)(=O)=O)N(C(C)=O)CC4)cc2)CC1,LSFGUFXJLAGNRV-UHFFFAOYSA-N
-rxn:4:207760:223647,COc1cc(COc2ccc(-c3ccc(N4C(=NC(C)=O)SC5CS(=O)(=O)CC54)c(F)c3)cc2Cl)cc(OC)c1,IVMKKIGBTWWADN-UHFFFAOYSA-N
-rxn:4:207786:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)CN(c3ccc(S(N)(=O)=O)cc3)C(=O)CO4)cc2F)CC1,JBJCGTIPFUWHCV-UHFFFAOYSA-N
-rxn:4:207786:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(c3ccc(S(N)(=O)=O)cc3)C(=O)CO4)cc2)CC1,YCKGTCSPPWSVNV-UHFFFAOYSA-N
-rxn:4:207793:223712,COc1ccc(-c2ccc3[nH]cc(CN4CCCCCC4)c3c2)cc1C12CC3CC(CC(C3)C1)C2,CCCCWJLTGRHOBN-UHFFFAOYSA-N
-rxn:4:207813:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c4ccccc34)cc2)CC1,YSNUDGMTRQPRNM-UHFFFAOYSA-N
-rxn:4:207831:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3nc4sccn4c3C=C3C(=O)OC(C)(C)OC3=O)cc2)cc1,UZOUXHZQHZXNDN-UHFFFAOYSA-N
-rxn:4:207831:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc5sccn5c4C=C4C(=O)OC(C)(C)OC4=O)cc3)cc2)CC1,FDTOPQLSEHBFSN-UHFFFAOYSA-N
-rxn:4:207832:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)C(=C5C(=O)N(CC)c6ccccc65)SC4=S)cc3)cc2)CC1,MMVHTRINHIKGMB-UHFFFAOYSA-N
-rxn:4:207847:222898,COC(=O)CNC(=O)c1ccc(-c2cccc(N3C(=O)N(c4ccc(C)cc4)C4CS(=O)(=O)CC43)c2)cc1,OCVYLSGWVQISAV-UHFFFAOYSA-N
-rxn:4:207854:225688,Clc1cc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cnc1C1CCCCC1,LALQRESSFQONEO-UHFFFAOYSA-N
-rxn:4:207856:222956,Cc1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c(C2CCCNC2)c1,UPDMUZPOTSRUAC-UHFFFAOYSA-N
-rxn:4:209506:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)cc2[N+](=O)[O-])CC1,BFGLMUDXALUUHL-UHFFFAOYSA-N
-rxn:4:209592:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(F)(F)C4)c(Cl)c3)c2)CC1,QPTLAEYFIYFWGG-UHFFFAOYSA-N
-rxn:4:209592:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(F)(F)C4)c(Cl)c3)ccc2C)CC1,RSOXXCHDHHFGIY-UHFFFAOYSA-N
-rxn:4:209592:223834,Cc1cc(-c2cnc(N3CCC(F)(F)C3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,FSDZFOCIXUBFLX-UHFFFAOYSA-N
-rxn:4:209592:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(F)(F)C2)c(Cl)c1,CNIKVSYOSIHBQV-UHFFFAOYSA-N
-rxn:4:209671:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccnc(N4CCC(=O)CC4)c3)cc2C)CC1,QPJJXFQCOJOBGI-UHFFFAOYSA-N
-rxn:4:209889:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(C)CC4)c(C)c3)c(F)cc2C)CC1,CXSUUYCRZXQVFX-UHFFFAOYSA-N
-rxn:4:209891:223834,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(N2CCN(C)CC2)c1,MMYHXGBDQZKDNH-UHFFFAOYSA-N
-rxn:4:211059:224612,CN1C(=O)C2(c3ccccc31)N(c1ccc(-c3ccc(OCCN4CCOCC4)cc3)cc1)C(=O)CS2(=O)=O,ADMVQEBRKGZZGJ-UHFFFAOYSA-N
-rxn:4:211089:224612,N#CC1=C2CCCCCN2c2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc2S1(=O)=O,VKGMPPBAXUQGQS-UHFFFAOYSA-N
-rxn:4:211096:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCCC3)O4)cc2F)CC1,YARMKDNFMGIXSB-UHFFFAOYSA-N
-rxn:4:211101:223084,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4)ccc2OC32CCC(C)CC2)cc1,SVMLUIZCXANNBJ-UHFFFAOYSA-N
-rxn:4:212492:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,GJZJJHSSRNEZSM-UHFFFAOYSA-N
-rxn:4:212492:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,NSIRYLYVNMZXBX-UHFFFAOYSA-N
-rxn:4:212492:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,HZTSZIVIWMIPRE-UHFFFAOYSA-N
-rxn:4:212492:224326,Cc1cc(-c2ccc3c(c2)CCc2cccnc2C3=C2CCN(C)CC2)ccc1S(=O)(=O)N1CCCCC1,ZCLAAMQIMWFZPB-UHFFFAOYSA-N
-rxn:4:212499:223812,COCCOc1nc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nn1COC,FMJJQTRPXDMNED-UHFFFAOYSA-N
-rxn:4:212523:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)o2)c1,HCQABJVFLTXRGZ-UHFFFAOYSA-N
-rxn:4:212568:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,AHQZUEMDQBDRTN-UHFFFAOYSA-N
-rxn:4:212585:223074,CC(C)N(Cc1c(-c2cccc(NS(=O)(=O)C3CC3)c2)cnn1C)C(=O)OC(C)(C)C,PRIJUOOVRRJYFM-UHFFFAOYSA-N
-rxn:4:212585:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,PMJHDVVCPLXGBI-UHFFFAOYSA-N
-rxn:4:212595:222632,N#CCCN1CCN(C(=S)c2ccc(-c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)o2)CC1,WSFBFCLXRMOKJP-UHFFFAOYSA-N
-rxn:4:212607:225984,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GNZJNBQXEPQDHT-UHFFFAOYSA-N
-rxn:4:212610:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCC5)n4CC)cc3)c(F)c2)CC1,MAYQHLXXOFCNJZ-UHFFFAOYSA-N
-rxn:4:212616:224649,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2cc(F)ccc2OCC2CCCCO2)c1,ZZBHKAJQUQRJHC-UHFFFAOYSA-N
-rxn:4:212631:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,IYFOZWOPEVPHGD-UHFFFAOYSA-N
-rxn:4:212636:226844,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,FWVHRFDUVQEDIF-UHFFFAOYSA-N
-rxn:4:212639:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,RCEMIPIFRMGWHP-UHFFFAOYSA-N
-rxn:4:212639:223687,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,MVIJWIREPHCYJB-UHFFFAOYSA-N
-rxn:4:212639:224271,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c2)CC1,AAWLYIGBYBNIHO-UHFFFAOYSA-N
-rxn:4:212639:226844,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ULCSARNLQUIGNL-UHFFFAOYSA-N
-rxn:4:212647:223895,CCN1CCN(CCOc2ccc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)cc2)CC1,HIGDDOCFMVXUJC-UHFFFAOYSA-N
-rxn:4:212647:226844,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,PAZUSRLRSUHBKA-UHFFFAOYSA-N
-rxn:4:212649:224830,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)C1,QTVNRMGGGMBWNY-UHFFFAOYSA-N
-rxn:4:212651:225353,COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F,DQJYLSJMEVAGCT-UHFFFAOYSA-N
-rxn:4:212652:222835,COC(=O)c1cc(-c2ccc(CNC(=O)CC(C)C)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PKQIEOOKCVRBBR-UHFFFAOYSA-N
-rxn:4:212652:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XRFAZLQCGJRXIC-UHFFFAOYSA-N
-rxn:4:212652:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MPGAWLDFYITTET-UHFFFAOYSA-N
-rxn:4:212653:223279,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)n1,LJAHGDAGRQJLOM-UHFFFAOYSA-N
-rxn:4:212653:226844,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)n1,XPHDLMNKBUWYAR-UHFFFAOYSA-N
-rxn:4:212677:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CC(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)c2)CC1,JBABRLHNOZIVRF-UHFFFAOYSA-N
-rxn:4:212685:223279,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)c([N+](=O)[O-])c1,XLZDQUZVWITLKP-UHFFFAOYSA-N
-rxn:4:212685:224018,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3)CC2)c([N+](=O)[O-])c1,MSCFEFLQOKRXOW-UHFFFAOYSA-N
-rxn:4:212685:225288,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)C)cc4C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1,CWHWRVJQYAKYFN-UHFFFAOYSA-N
-rxn:4:212690:228453,COC(=O)Cn1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCCC2)cn1,WMEICXPDJSSFJE-UHFFFAOYSA-N
-rxn:4:212739:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,SNGIMVHCJAHNSZ-UHFFFAOYSA-N
-rxn:4:212739:224021,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc2N2CCCCC2)CC1,IPLVSLNDLBGLED-UHFFFAOYSA-N
-rxn:4:212741:224021,CC1CN(Cc2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KMXKDESUDSCTNA-UHFFFAOYSA-N
-rxn:4:212741:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FKGBUIJPZZROAK-UHFFFAOYSA-N
-rxn:4:212741:227601,CC1CN(Cc2ccc(-c3ccnn3-c3ccccn3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KILOAEYOCKLACG-UHFFFAOYSA-N
-rxn:4:212744:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,IRZBALHWFNZTNJ-UHFFFAOYSA-N
-rxn:4:212749:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,ZUKIRRAOBYTCPM-UHFFFAOYSA-N
-rxn:4:212750:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1,ZMJBSJWTQBEWIK-UHFFFAOYSA-N
-rxn:4:212769:226844,CCOC(=O)c1nc2n(c1-c1ccnc(C(=O)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)C2,IJOGOFMLXCKBBY-UHFFFAOYSA-N
-rxn:4:212771:226844,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2s1,OHXCVCCLLLTOCE-UHFFFAOYSA-N
-rxn:4:212781:223753,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,BYZLZNZQLFDYPU-UHFFFAOYSA-N
-rxn:4:212809:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)CSCC(=O)N3CCCc5ccccc53)n4C)cc2)CC1,QRHCJPWDUQAZMP-UHFFFAOYSA-N
-rxn:4:212824:226844,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4s3)CC2)cc(OC)c1OC,BYGWPAUUJKGGRH-UHFFFAOYSA-N
-rxn:4:212827:224612,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3[nH]2)CC1,OCEGUJCUQNKEDM-UHFFFAOYSA-N
-rxn:4:212828:223239,COc1ccc(-c2cncc(C3CCCN3)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,YTPAHANEEWUYEA-UHFFFAOYSA-N
-rxn:4:212828:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,GRMUNYMXMGFBQS-UHFFFAOYSA-N
-rxn:4:212872:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CN(C(=O)COC)C3)c2)c1,BSGRGLXQZRWPBP-UHFFFAOYSA-N
-rxn:4:212890:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN=C4SCc4cccnc4)o3)cc2)CC1,LOIXUKNFHONUKM-UHFFFAOYSA-N
-rxn:4:212979:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)Cc5ccc(Cl)cc5)C4)nc3)cc2F)CC1,TUKAFBMWBBPBGV-UHFFFAOYSA-N
-rxn:4:212986:225107,CCOC(=O)C1CCN(Cc2nn(C)cc2-c2cccc(C(=O)N(CC)CC)c2F)CC1,UZCWCPHVPVCODC-UHFFFAOYSA-N
-rxn:4:212996:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCOCC5)nn4)cc3)cc2)CC1,GMVYEGNYUYCHKQ-UHFFFAOYSA-N
-rxn:4:213015:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCC5)n4C)cc3)cc2)CC1,VJYRIEUCOLPLJQ-UHFFFAOYSA-N
-rxn:4:213034:223753,Cc1ccc(-c2ccc(C(=O)n3nc(C)c(Sc4ccccc4[N+](=O)[O-])c3C)cc2)cc1OCCCN1CCN(C)CC1,FMWINFGGRJMQMC-UHFFFAOYSA-N
-rxn:4:213041:226844,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VDKFIKGBULRDNP-UHFFFAOYSA-N
-rxn:4:213074:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccnc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JBNDVPXAOPMZME-UHFFFAOYSA-N
-rxn:4:213080:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FPJWHIFBDGWRKL-UHFFFAOYSA-N
-rxn:4:213088:227775,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(F)(F)F)nc3Cl)c2C#N)CC1,HSXVAQBELQCVKF-UHFFFAOYSA-N
-rxn:4:213095:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SUIMUEXRJALJMU-UHFFFAOYSA-N
-rxn:4:213109:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)c1,YXVWFXNOVDVISB-UHFFFAOYSA-N
-rxn:4:213109:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5)CC4)nc3)c2)CC1,SCOBRRLYWZQCBG-UHFFFAOYSA-N
-rxn:4:213123:223755,CC1CCN(CCCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2F)CC1,MUONEUFFCRBQAN-UHFFFAOYSA-N
-rxn:4:213123:223895,CCN1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2)CC1,RYBKOQFIDJXVHX-UHFFFAOYSA-N
-rxn:4:213123:225723,CN(C)CCOc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1Cl,DSAJOWIUSBTXMY-UHFFFAOYSA-N
-rxn:4:213126:224157,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)nc2)CC1,CJRKYIXDVDKLAN-UHFFFAOYSA-N
-rxn:4:213132:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c1,NKUINTRBKWCTSV-UHFFFAOYSA-N
-rxn:4:213133:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccn1)C(F)(F)F,NXFWWDLLWMDZLY-UHFFFAOYSA-N
-rxn:4:213134:223753,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cn2)CC1,WRWLOQAQPLDLTB-UHFFFAOYSA-N
-rxn:4:213140:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc([N+](=O)[O-])c3)cc2)CC1,WKYDUVRSTRWEBX-UHFFFAOYSA-N
-rxn:4:213140:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc([N+](=O)[O-])c2)CC1,FPGPEFQWQJPHBP-UHFFFAOYSA-N
-rxn:4:213141:223279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cnc(C4CCCN4)nc3)c2)CC1,CRZNNULSWJGSKH-UHFFFAOYSA-N
-rxn:4:213141:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[N+](=O)[O-])cc2)CC1,KUSSNLHZNTTZPQ-UHFFFAOYSA-N
-rxn:4:213142:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2[N+](=O)[O-])CC1,AIJIPTYDBKAASN-UHFFFAOYSA-N
-rxn:4:213144:226844,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OQTJONIAUFVAHX-UHFFFAOYSA-N
-rxn:4:213145:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4C)cc3)cc2)CC1,UMLCLDLLGPOQDO-UHFFFAOYSA-N
-rxn:4:213158:222901,CCCS(=O)(=O)NCc1ccc(-c2cnccc2OC2CCN(C(=O)c3cn(C)c(=O)cc3OC)C2)cc1,KCYWRTCBWNHBQZ-UHFFFAOYSA-N
-rxn:4:213169:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCCCCC5)nn4)cc3)c(F)c2)CC1,WDSOZNYDRKMMDH-UHFFFAOYSA-N
-rxn:4:213183:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(-c3noc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)cc2)s1,KUXZKERGIRRIGA-SFHVURJKSA-N
-rxn:4:213183:224612,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)no1,QVMRVEWKTHBPIZ-VWLOTQADSA-N
-rxn:4:213203:224087,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN5CCCCCC5)c4)cc3)CC2)nn1,XLQBOFJVPIPTNZ-UHFFFAOYSA-N
-rxn:4:213211:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(C(=O)c5ccccc5)C(c5ccc([N+](=O)[O-])cc5)C4)cc3)c(F)c2)CC1,AKZXMZKKPOCVBH-UHFFFAOYSA-N
-rxn:4:213216:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccn1)C(F)(F)F,NQXYOFOEBGHHAY-UHFFFAOYSA-N
-rxn:4:213218:226844,C[C@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCN1C(=O)OC(C)(C)C,UXIIZWOXVBJBEL-HNNXBMFYSA-N
-rxn:4:213221:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)c([N+](=O)[O-])c3)cc2)CC1,SRBIXOAUVZMHID-UHFFFAOYSA-N
-rxn:4:213227:222729,CCCc1cc(-c2ccc(OC)c(CN3CCC(Oc4ncc(C)cn4)CC3)c2)cc(C2CCCNC2)n1,GBXOLNHNFBUQTQ-UHFFFAOYSA-N
-rxn:4:213237:223294,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)[nH]1,HQGANDPWPNBRFB-FQEVSTJZSA-N
-rxn:4:213239:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,WPJJOLVVCNHTNM-UHFFFAOYSA-N
-rxn:4:213243:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)c1,FGDULURVSDTTHX-UHFFFAOYSA-N
-rxn:4:213243:223279,O=C(CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1)N1CCOCC1,LUZHCOFKZXBLLI-UHFFFAOYSA-N
-rxn:4:213261:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,OQXGMIKVMOFWCB-UHFFFAOYSA-N
-rxn:4:213262:225723,CN(C)CCOc1ccc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)cc1Cl,SRGHXHLMMATTOT-UHFFFAOYSA-N
-rxn:4:213267:227464,CCCCSc1ncc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC(C)(C)C)cn1,JEILDAOBEJBJIO-UHFFFAOYSA-N
-rxn:4:213271:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,GFNITBDGVLCEOU-UHFFFAOYSA-N
-rxn:4:213279:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)c(F)c2)CC1,LUHGSTHZHOSIFN-UHFFFAOYSA-N
-rxn:4:213284:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCC(c5cc(-c6cccc(C(F)(F)F)c6)[nH]n5)CC4)cc3)c2)CC1,FEQHKRWFPFNPOH-UHFFFAOYSA-N
-rxn:4:213290:225723,CN(C)CCOc1ccc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)cc1Cl,WWQFWDYDLXOOHY-UHFFFAOYSA-N
-rxn:4:213301:223753,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)ccc21,CZETXKFVMVLNRE-UHFFFAOYSA-N
-rxn:4:213301:223895,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3ccc(OCCN4CCN(CC)CC4)cc3)ccc21,FTQZKXBNLISWED-UHFFFAOYSA-N
-rxn:4:213302:223895,C#CCn1c(=NC(=O)c2ccc(-c3ccc(OCCN4CCN(CC)CC4)cc3)s2)sc2cc([N+](=O)[O-])ccc21,QPOZPWLQVCTYQB-UHFFFAOYSA-N
-rxn:4:213324:224198,C#CCn1c(=NC(=O)c2cccc(-c3ccc(CN4CCN(CC)CC4)cc3F)c2)sc2cc(S(N)(=O)=O)ccc21,MYZIWZSSJBAKLI-UHFFFAOYSA-N
-rxn:4:213328:223753,CCCn1c(=NC(=O)c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,HGAIFQYYKXWSBV-UHFFFAOYSA-N
-rxn:4:213360:223051,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)ccc21,CBTXWBJNGSGHDW-UHFFFAOYSA-N
-rxn:4:213363:224765,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cc(C(F)(F)F)ccc5N5CCCC5)c4)CC3)nc2c1,XWCOAXYRZWDUIY-UHFFFAOYSA-N
-rxn:4:213387:224974,CN1CCN(Cc2ccccc2-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)CC1,JRVWMIPABLKZDQ-UHFFFAOYSA-N
-rxn:4:213388:225220,CC1CCCCN1c1ncc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,BXNNFBFGOGSUCQ-UHFFFAOYSA-N
-rxn:4:213388:225640,CC1CCCCN1c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1,SJVBEZYOTWCWLA-UHFFFAOYSA-N
-rxn:4:213408:226844,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc3ccccn3c2=O)SC1=S,XLMDENYFUOIFQX-UHFFFAOYSA-N
-rxn:4:213413:224612,CC1CN(C(=O)c2cc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,WDFQMZYGYSWEOZ-UHFFFAOYSA-N
-rxn:4:213417:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4CC)ccc2F)CC1,BZUSXCFKQWXALR-UHFFFAOYSA-N
-rxn:4:213417:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4CC)c2)CC1,UHPNZFMTDGDYHG-UHFFFAOYSA-N
-rxn:4:213428:223775,COc1ccc2c(c1)c(-c1ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c1)cn2C(=O)OC(C)(C)C,GASBCPJRVMRRRT-HKBQPEDESA-N
-rxn:4:213450:222836,Cc1nc2ccc(-c3ccc(NC(=O)CC(C)(C)C)cc3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,KEWHRUBQAWFAQK-UHFFFAOYSA-N
-rxn:4:213453:226844,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)N2C1=O,LWJMEEOUNXMATK-UHFFFAOYSA-N
-rxn:4:213458:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,NTBNKBXCCYNRMX-ZONZVBGPSA-N
-rxn:4:213469:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc([C@@H]4[C@@H](C(=O)C(C)(C)C)N5c6ccccc6C=C[C@@H]5C4(C#N)C#N)c(F)c3)c2)CC1,SVZIYZIVEPZBRC-VATRIRCNSA-N
-rxn:4:213472:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,VEXKPNVGSBCPRV-UHFFFAOYSA-N
-rxn:4:213591:223480,CCN(CC)N=Nc1ccc(C)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,DUGCVMYKNFBQJM-UHFFFAOYSA-N
-rxn:4:213661:223812,CCOC(=O)C1CCN(c2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,UJSNPWDJBZBRDU-UHFFFAOYSA-N
-rxn:4:213673:223754,CC1CCN(CCCOc2ccc(-c3cnn(CC4CN(Cc5ccc(F)c(F)c5)C4)c3)cc2Cl)CC1,WYOPLSXGYDWNGU-UHFFFAOYSA-N
-rxn:4:213692:226844,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,VENSXQKHDDNXET-UHFFFAOYSA-N
-rxn:4:213696:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC(Oc5cnccn5)C4)o3)cc2F)CC1,LYGLCBLUWKALNI-UHFFFAOYSA-N
-rxn:4:213705:223753,Cc1ccc(-c2cncc(C(=O)N3CCC(Oc4ccncc4Cl)C3)c2)cc1OCCCN1CCN(C)CC1,FENNSFCWDGTSKU-UHFFFAOYSA-N
-rxn:4:213778:224022,CCN1CCN(c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(C(=O)OC)n2)CC1,IGWBWQZGTCJKQR-UHFFFAOYSA-N
-rxn:4:213790:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4cc(C(F)(F)F)nn4-c4ccc(S(N)(=O)=O)cc4)cc3)cc2F)CC1,BSUURDOUOMRBEA-UHFFFAOYSA-N
-rxn:4:213799:225978,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCOCC4)nc3F)ncn2)C1,AHZLBIMBJFZCSH-UHFFFAOYSA-N
-rxn:4:213803:225977,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(Cl)cnc2N2CCOCC2)cn1,RZLWVZQJYJXMOT-UHFFFAOYSA-N
-rxn:4:213814:223570,Cc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1,MSRNPHIKKOVUHN-UHFFFAOYSA-N
-rxn:4:213822:222584,Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3Cl)C2)n1,XNGHDFYFLPFKOY-UHFFFAOYSA-N
-rxn:4:213841:225165,COc1cc(-c2cnc(OC3CCN(CC4CCC4)CC3)nc2)ccc1N1CCOCC1,CATUPFDMPSGYBE-UHFFFAOYSA-N
-rxn:4:213841:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(OC2CCN(CC3CCC3)CC2)nc1,QGBQJLQPUWPVAB-UHFFFAOYSA-N
-rxn:4:213852:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(Oc5ncc(F)cn5)CC4)cc3)c(F)cc2C)CC1,YXNQIDBXXDTEJO-UHFFFAOYSA-N
-rxn:4:213856:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(Cc5cccc(F)c5)CC4)nc3)cc2F)CC1,BZMDRURASJCSKX-UHFFFAOYSA-N
-rxn:4:213861:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5cccnn5)CC4)cc3)cc2)CC1,XPUJTVSMKDNWAF-UHFFFAOYSA-N
-rxn:4:213862:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCN(c5cccnc5)C(=O)C4)cc3)cc2)CC1,OQECVFRJMXRMPH-UHFFFAOYSA-N
-rxn:4:213874:223065,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCNCC4)cc3F)ccn2)CC1,DHSMXMZTMVNVGA-UHFFFAOYSA-N
-rxn:4:213884:225009,Cc1cnc(OC2CCCCC2)c(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,WWYINIZLSGYVBE-UHFFFAOYSA-N
-rxn:4:213886:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,PWOMUHKWLQQLIR-UHFFFAOYSA-N
-rxn:4:213898:222546,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,IYCURKRVDXUWGS-UHFFFAOYSA-N
-rxn:4:213905:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)cc2)CC1,GQHRNQCSCTVBAN-UHFFFAOYSA-N
-rxn:4:213905:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)c(F)c2)CC1,YIUQBTJCXVTIKH-UHFFFAOYSA-N
-rxn:4:213911:223996,CN1CCN(c2ccc(-c3cccc(C#N)c3N3CCN(Cc4ccccc4)CC3)c(C(F)(F)F)c2)CC1,CTQCWIMIGSCEQT-UHFFFAOYSA-N
-rxn:4:213919:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2)CC1,SZGLTPBSBLYYBJ-UHFFFAOYSA-N
-rxn:4:213933:226844,O=C(c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccn1)C(F)(F)F,NXGVGJLWGNXUPX-UHFFFAOYSA-N
-rxn:4:213937:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ccnc(OC)c4)C(=O)C3)cc2)CC1,LAYFULPIYVMMEU-UHFFFAOYSA-N
-rxn:4:213938:225723,CN(C)CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1Cl,VVBISDOWNCJPDV-UHFFFAOYSA-N
-rxn:4:213943:223079,CC(C)NS(=O)(=O)c1cccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1,UIGSUGPKMSGWHZ-UHFFFAOYSA-N
-rxn:4:213946:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,ILOOHGDUWIZOGN-UHFFFAOYSA-N
-rxn:4:213966:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3OC)c2)CC1,YYNWCYAOYGUYNW-UHFFFAOYSA-N
-rxn:4:213966:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3OC)c(F)c2)CC1,AFHOZJUPJPFZRW-UHFFFAOYSA-N
-rxn:4:213973:225294,CCN1CCN(c2ncc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cn2)CC1,VSFQWQPUPVOMDW-UHFFFAOYSA-N
-rxn:4:213978:226844,CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,YPBMOEBVZIWGBZ-UHFFFAOYSA-N
-rxn:4:213980:225560,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cccc(COC3CCOC3)c2)n1,QSSGIXOMCXTYIM-UHFFFAOYSA-N
-rxn:4:213988:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,WFDLPGFJICLJJY-UHFFFAOYSA-N
-rxn:4:213991:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)ccn1)C(F)(F)F,FVHNODKCZLZYCZ-UHFFFAOYSA-N
-rxn:4:213994:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,NLGDISSUUFBURU-CQSZACIVSA-N
-rxn:4:213998:226844,CC1CN(c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,XCKCQUGXIOCCMT-UHFFFAOYSA-N
-rxn:4:214034:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCCCC2)CC1,JFHSXCPZTQWCBY-UHFFFAOYSA-N
-rxn:4:214036:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(N(C)C)cc5)C4)cc3)cc2)CC1,AFTOVPBDTRKEIO-UHFFFAOYSA-N
-rxn:4:214037:225896,COCCOc1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)c(F)cc1F,PTAJOLSWTPSOFW-UHFFFAOYSA-N
-rxn:4:214038:224817,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C2)cc1C,AYSUXQPIRNVRAO-UHFFFAOYSA-N
-rxn:4:214045:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(Cn5nc(C)cc5C)CC4)cc3)c(F)cc2C)CC1,RYTJSFPAAWODOK-UHFFFAOYSA-N
-rxn:4:214056:225723,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(OCCN(C)C)c(Cl)c4)o3)S2)CC1,XYSKRNQDJZPOMQ-UHFFFAOYSA-N
-rxn:4:214057:226584,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N(C)C)cc3Cl)cc2N2CCCC2)CC1,QRYNWNHRRCDLIR-UHFFFAOYSA-N
-rxn:4:214059:226844,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1,DXPKGFHOOFQCSK-UHFFFAOYSA-N
-rxn:4:214065:225723,Cc1nn(C(=O)c2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,WETMPPBIBMZZEC-UHFFFAOYSA-N
-rxn:4:214067:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccc(C)cc6)CC5)n4)cc3)cc2)CC1,IXSKATLSBWJUPL-UHFFFAOYSA-N
-rxn:4:214073:226844,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,HUTZHIJSZRPXFN-UHFFFAOYSA-N
-rxn:4:214074:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N5CCCC(C)C5)c4C)cc3)cc2)CC1,IOQPEUGQWPJRPI-UHFFFAOYSA-N
-rxn:4:214080:224971,CN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)cc2)CC1,CPGQSWJNIZUYOA-UHFFFAOYSA-N
-rxn:4:214081:226844,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,MGSNHGMBXQRMMP-UHFFFAOYSA-N
-rxn:4:214085:224198,CCN1CCN(Cc2ccc(-c3ccc(C=C4N=C(C5CCCCC5)N(c5cc([N+](=O)[O-])ccc5C)C4=O)cc3)c(F)c2)CC1,QMZNAYHGNFTQLA-UHFFFAOYSA-N
-rxn:4:214185:226844,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,NFBLIYASOOVFFW-UHFFFAOYSA-N
-rxn:4:214203:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,NCQJRADHUVPISK-UHFFFAOYSA-N
-rxn:4:214212:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2)CC1,ZLSJFDFITMMEIY-UHFFFAOYSA-N
-rxn:4:214230:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1,WLZPWMMQLQZDOO-IBGZPJMESA-N
-rxn:4:214231:225978,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc(N5CCOCC5)nc4F)cccc3n2)C1,YYSCIMBBIOLAKU-UHFFFAOYSA-N
-rxn:4:214234:225542,CCCCCc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(F)c1F,KYUWCYILLYXTJM-UHFFFAOYSA-N
-rxn:4:214252:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1,KTKISXXGMPOIRX-UHFFFAOYSA-N
-rxn:4:214255:224609,CC(C)N(C(=O)c1ccncc1-c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncnc(Cl)c12)C(C)C,GEZRCLWWSWWOPO-UHFFFAOYSA-N
-rxn:4:214305:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6n5C)CC4)cc3)ccc2F)CC1,VSUMTNSIDOTTPR-UHFFFAOYSA-N
-rxn:4:214308:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4C)c2)CC1,HVZJUNPDKGWKCY-UHFFFAOYSA-N
-rxn:4:214336:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,KDMVHISFPTVGOR-UHFFFAOYSA-N
-rxn:4:214337:226097,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3ccc(COCC4CC4)cc3)c2)CC1,LISHXCQHQXNVSH-UHFFFAOYSA-N
-rxn:4:214353:225771,COc1ccc(-c2cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c3nc(Cl)ncc23)c(F)c1OC(C)C,GNSGJBQGVYZMRY-WGSAOQKQSA-N
-rxn:4:214377:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4c5c(oc6ccccc6c5=O)C(=O)N4c4nnc(CC(C)C)s4)cc3)cc2)CC1,LYXOAMIVPAAAIO-UHFFFAOYSA-N
-rxn:4:214670:222589,CC(=O)N1CCCC(Cc2cnc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cn2)C1,PYWPCEPPKZPAEM-UHFFFAOYSA-N
-rxn:4:214709:224782,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,LTWYNZYIKSYAJD-UHFFFAOYSA-N
-rxn:4:214718:224198,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3Cl)c(F)c2)CC1,MAPQQRGSYRHXPL-UHFFFAOYSA-N
-rxn:4:214734:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cn1,UFVKEAKYRRNHAB-UHFFFAOYSA-N
-rxn:4:214735:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)c2)CC1,GQSKETMTPRVFOF-UHFFFAOYSA-N
-rxn:4:214743:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)cc2)CC1,MOSOCUBXCIVVDP-UHFFFAOYSA-N
-rxn:4:214773:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(S(=O)(=O)N4CCN(C(C)C)CC4)c3)c2)CC1,LITRRLCNANHTKY-UHFFFAOYSA-N
-rxn:4:214786:223755,CC1CCN(CCCOc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cccnc4)C(=O)C3)cc2F)CC1,BDYSGVBCYFXDAF-UHFFFAOYSA-N
-rxn:4:214786:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cccnc4)C(=O)C3)c(F)c2)CC1,BSJHFZCQPJQVPL-UHFFFAOYSA-N
-rxn:4:214803:223753,Cc1ccc(-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1OCCCN1CCN(C)CC1,LVUSELBUCCZCSQ-UHFFFAOYSA-N
-rxn:4:214821:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2[N+](=O)[O-])CC1,KMUZAVAWOVFQHA-UHFFFAOYSA-N
-rxn:4:214830:226844,O=C(C1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCSCC1,HFPLMCQIWPIEQQ-UHFFFAOYSA-N
-rxn:4:214835:227543,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,MPZPKOGGQIQOIM-UHFFFAOYSA-N
-rxn:4:214837:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CCO1)N1CCSCC1,UQQGDOJGLMAWDN-UHFFFAOYSA-N
-rxn:4:214838:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCO1)N1CCOCC1,GIZGTSXEEYPVGE-UHFFFAOYSA-N
-rxn:4:214855:223007,Fc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc(C2CCNCC2)c1,BJZTYWLRSKMOCW-UHFFFAOYSA-N
-rxn:4:214868:226844,O=C(C1CN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,CMVVXIXKUBWHSD-UHFFFAOYSA-N
-rxn:4:214882:226844,O=C(C1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1)N1CCC(F)(F)CC1,PKKYRZWUDIDKFE-UHFFFAOYSA-N
-rxn:4:214884:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,AJQBCFGZRQBOOZ-UHFFFAOYSA-N
-rxn:4:214884:226844,O=C(C1CCN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,JENYXHADPKBIIE-UHFFFAOYSA-N
-rxn:4:214890:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)n(C(=O)OC(C)(C)C)c12,MWEZTNFJGGFLEU-UHFFFAOYSA-N
-rxn:4:214895:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C=C4SC(=S)N(c5c(C)n(C)n(-c6ccccc6)c5=O)C4=O)cc3)c2)CC1,ZZINDVTZXMNNFH-UHFFFAOYSA-N
-rxn:4:215059:224305,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)c2C1,BQYWNOQQSLLZTP-UHFFFAOYSA-N
-rxn:4:215068:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3n(n2)CCCN3C(=O)OC(C)(C)C)cc1,OEVZVBPDIORZBA-UHFFFAOYSA-N
-rxn:4:215101:224863,CC(C)N(Cc1ccccc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2)C(C)C,WYYHKBNJVRDBLX-UHFFFAOYSA-N
-rxn:4:215102:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn4c(n3)CCN(C(=O)OC(C)(C)C)CC4)c(F)ccc21,VTJIEFASSVGURQ-UHFFFAOYSA-N
-rxn:4:215170:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,MSDZDWUNNVUWAT-UHFFFAOYSA-N
-rxn:4:215175:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)c3)cc2)CC1,NSULBORHXYMTTM-UHFFFAOYSA-N
-rxn:4:215201:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3ccnc(C(=O)C(F)(F)F)c3)cnc12,IMQKTQDXOGXTST-UHFFFAOYSA-N
-rxn:4:215202:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c2)CC1,YWCHFNNWRDYITJ-UHFFFAOYSA-N
-rxn:4:215214:226844,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)n3C2)C1,OQRXOIALUGYHPA-UHFFFAOYSA-N
-rxn:4:215218:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(C5CC(=O)N(c6ccc7c(c6)OCCO7)C5)n4)cc3)c(F)c2)CC1,SGOWFTFOJCJNTI-UHFFFAOYSA-N
-rxn:4:215231:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(C)n(CC4CCCN(C(C)C)C4)c(=O)c3c2)cc1,DQAVUFBDDUXYJY-UHFFFAOYSA-N
-rxn:4:215233:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)cc2)CC1,HGYFXJCZKUMXHU-UHFFFAOYSA-N
-rxn:4:215233:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)c2)CC1,NXIFGCAQOIYVQH-UHFFFAOYSA-N
-rxn:4:215234:223753,Cc1ccc(-c2ccc3oc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C)c3c2)cc1OCCCN1CCN(C)CC1,ZDAPIDUSGAMVOD-UHFFFAOYSA-N
-rxn:4:215319:223490,Cc1ccc(-c2cnc(C#N)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HJJBTNANWGMBGN-UHFFFAOYSA-N
-rxn:4:215372:223753,Cc1ccc(-c2cc(Cl)cnc2C2(C(F)(F)F)N=N2)cc1OCCCN1CCN(C)CC1,FMAVVIIWUWLOMT-UHFFFAOYSA-N
-rxn:4:215848:223895,CCN1CCN(CCOc2ccc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,MVYCJZGHXFHWAF-UHFFFAOYSA-N
-rxn:4:215872:223755,CCN1CCN(c2cccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)n2)CC1,UIMIBRCXIWWNEU-UHFFFAOYSA-N
-rxn:4:215891:222629,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c2)CC1,FVBUNKFMSPGUFZ-UHFFFAOYSA-N
-rxn:4:215914:223602,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,FCILMQONDVIUAA-UHFFFAOYSA-N
-rxn:4:215944:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,QQXVPUKNJIOYLD-UHFFFAOYSA-N
-rxn:4:215945:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,JKESHQGWJXNHCK-UHFFFAOYSA-N
-rxn:4:215981:223895,CCN1CCN(CCOc2ccc(-c3nc(N4CCCCC4)cc(C(C)(C)C)n3)cc2)CC1,OELSVZMLJONLJV-UHFFFAOYSA-N
-rxn:4:216196:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CC5CCCC5C4)c(C#N)c3)cc2)CC1,IJWNEQMZBFOUQY-UHFFFAOYSA-N
-rxn:4:216245:224304,CN1CCN(C(=O)C(C)(C)C)c2cc(-c3c(F)ccc(O[Si](C)(C)C(C)(C)C)c3Cl)cnc21,HNPQORGFFCRFID-UHFFFAOYSA-N
-rxn:4:216253:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(C(=O)N5C6C=CCC5CC6)n(C)nc4c3)cc2F)CC1,RWUSVCJXGVIULP-UHFFFAOYSA-N
-rxn:4:217156:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(C)C(=O)C3)n2)CC1,YYQLMQVFPCOMTE-UHFFFAOYSA-N
-rxn:4:217206:223755,Cc1cc(N2CCC(C)CC2)nc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)n1,QBHDWIQVVFXWOP-UHFFFAOYSA-N
-rxn:4:217381:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nc4ccc(C(F)(F)F)cn4n3)cc2)CC1,ONCNKTYQFHMTQX-UHFFFAOYSA-N
-rxn:4:217824:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nccc4cnn(C5CCCCO5)c34)cc21,PPHXWQMLNZPXHD-UHFFFAOYSA-N
-rxn:4:217889:224586,CC1CCN(Cc2ccc(F)cc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,YZFKSLZQTKLGQL-UHFFFAOYSA-N
-rxn:4:218579:224198,CCN1CCN(Cc2ccc(-c3ccc(OCc4nc(C#N)c(N5CCN(CC)CC5)o4)cc3)c(F)c2)CC1,CRUKWYPYNDPPQS-UHFFFAOYSA-N
-rxn:4:218579:224612,CCN1CCN(c2oc(COc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)nc2C#N)CC1,DBTAJABQFLYGAQ-UHFFFAOYSA-N
-rxn:4:218588:224612,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCOCC4)cc3)cn2)CC1,DBNJISZOZYBBNR-UHFFFAOYSA-N
-rxn:4:218603:226844,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LNZHJQALLMTFKF-UHFFFAOYSA-N
-rxn:4:218631:226004,COc1cc(OC(F)(F)F)cc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,DASNYNHZJOOFDP-UHFFFAOYSA-N
-rxn:4:218662:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)c2)CC1,DMAAGYAUTUSBHC-UHFFFAOYSA-N
-rxn:4:218663:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nc2)cc1Cl,OKLOEQJLJKNWSG-UHFFFAOYSA-N
-rxn:4:218684:226844,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)ccc2C#N)CC1,PYCUQNNQKZTBFC-UHFFFAOYSA-N
-rxn:4:218685:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCN(CCn5ccnc5-c5ccccc5)CC4)c3)ccc2F)CC1,HREOPINZFSIAPC-UHFFFAOYSA-N
-rxn:4:218695:223650,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)c3C)CC2)cc1,JVJQSQXQIGMUJZ-UHFFFAOYSA-N
-rxn:4:218698:225723,CN(C)CCOc1ccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)cc1Cl,KAFOMOHCQOIAQI-UHFFFAOYSA-N
-rxn:4:218699:223279,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,QOFGJKGPCYGQHH-UHFFFAOYSA-N
-rxn:4:218699:224904,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccc(C(=O)C5CCCCC5)cc4)c3)ccc2C#N)CC1,CRFJESAITLIWNA-UHFFFAOYSA-N
-rxn:4:218704:223635,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)n[nH]2)CC1,CNROVUJTAZLYPL-UHFFFAOYSA-N
-rxn:4:218706:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1C,YCRVAMBFHSWFHV-UHFFFAOYSA-N
-rxn:4:218710:223279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKPADVDXCJLHQF-UHFFFAOYSA-N
-rxn:4:218711:223279,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(C4CCCN4)nc3)CC2)CC1,PPXLWQHTMSOVAJ-UHFFFAOYSA-N
-rxn:4:218769:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)ccc2F)CC1,YBTAQERJRVICAM-UHFFFAOYSA-N
-rxn:4:218772:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCOCC1,KBGGTNPAFMQXQU-UHFFFAOYSA-N
-rxn:4:218786:223598,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(F)c5)cccc4c3C2)CC1,ZDTVFWUQAODRGJ-UHFFFAOYSA-N
-rxn:4:218851:225723,CN(C)CCOc1ccc(-c2cnc(N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1Cl,UPZAVWZCVOZIOC-UHFFFAOYSA-N
-rxn:4:218868:226844,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)no1,FWBFYXWIAYQJBR-UHFFFAOYSA-N
-rxn:4:218876:224735,CC(C)COc1cc(-c2ccc(C(=O)N3CCC(Oc4cncc(N(C)C)n4)C3)o2)ccc1C(F)(F)F,SNBVMDUUZZAZKE-UHFFFAOYSA-N
-rxn:4:218880:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4ccncc4)CC3)nc2)cc1OCCCN1CCN(C)CC1,AAFNYMCFOJWEGW-UHFFFAOYSA-N
-rxn:4:218887:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cnoc5C)CC4)nc3)c2)CC1,STRSWFKPNNUATM-UHFFFAOYSA-N
-rxn:4:218890:223753,Cc1ccc(-c2cnc(OC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)cc1OCCCN1CCN(C)CC1,AUUQLYHDNUPTLA-UHFFFAOYSA-N
-rxn:4:218899:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cc2F)CC1,XTGHQKUNCRCTDQ-UHFFFAOYSA-N
-rxn:4:218917:223755,CC1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2F)CC1,KEOMYHLGZAJNNS-UHFFFAOYSA-N
-rxn:4:218918:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5cc(OC)nc(OC)n5)CC4)o3)c2)CC1,CSRNDJUSOIBXDU-UHFFFAOYSA-N
-rxn:4:218951:222680,COc1cnc(OC2CCN(c3ncc(-c4cccc(NC(=O)OC(C)(C)C)c4OC)cc3C(F)(F)F)CC2)nc1,WPTFPZRYSMSUNP-UHFFFAOYSA-N
-rxn:4:218971:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)cc2)CC1,JCTTWQNUCLCWAM-UHFFFAOYSA-N
-rxn:4:218977:226844,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,SKALTVPDMWTPIT-UHFFFAOYSA-N
-rxn:4:218992:226844,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,ARLQUIVYLCPZEL-UHFFFAOYSA-N
-rxn:4:218998:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc2)CC1,OPWGJKDBXPJKLU-UHFFFAOYSA-N
-rxn:4:219011:223279,CN(c1cnc(-c2cnc(C3CCCN3)nc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,OWTDGWMZODHDQJ-UHFFFAOYSA-N
-rxn:4:219027:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cnn1C,BYTMIANBLCQLDJ-UHFFFAOYSA-N
-rxn:4:219042:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DQQFQXGWEXAGIS-UHFFFAOYSA-N
-rxn:4:219046:226844,O=C1C(N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CCN1C1CC1,HIBVWKNFXHZGKZ-UHFFFAOYSA-N
-rxn:4:219075:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N4CCCN(c5cc(-c6ccc(OC)cc6)n[nH]5)CC4)c3)c2)CC1,FBNUUOVMQANTGO-UHFFFAOYSA-N
-rxn:4:219078:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,RXHWPQWHYXMKLD-UHFFFAOYSA-N
-rxn:4:219107:224485,CCC(=O)C1=C(c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,DFKBVPMCBRMSMJ-UHFFFAOYSA-N
-rxn:4:219128:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c(F)cc2C)CC1,KHXWJIHUJORRPQ-UHFFFAOYSA-N
-rxn:4:219154:224244,CC1CCN(C(=O)c2cc(-c3ccc4c(ccn4CCC(=O)N4CCN(c5ccccn5)CC4)c3)ccc2Cl)CC1,OELGRVCKGKAAEC-UHFFFAOYSA-N
-rxn:4:219161:223279,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnc(C4CCCN4)nc3)cnn12,PFZHWFMSNZEAAS-UHFFFAOYSA-N
-rxn:4:219182:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OKKHKAUZZIBFJI-UHFFFAOYSA-N
-rxn:4:219187:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)c7ccccc7C6=O)CC5)n4)cc3)ccc2F)CC1,CZODHLUWOCOJBB-UHFFFAOYSA-N
-rxn:4:219205:222634,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,ZZHOSCFFWNTDGZ-UHFFFAOYSA-N
-rxn:4:219207:226844,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cs2)CC1,ILGVRYSFJDZBAJ-UHFFFAOYSA-N
-rxn:4:219377:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5nccn5CC)CC4)o3)cc2)CC1,HBBSXNCVIRSJSZ-UHFFFAOYSA-N
-rxn:4:219379:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCC(n5nccn5)CC4)cc3)cc2)CC1,RNAGOYJLCBFVIU-UHFFFAOYSA-N
-rxn:4:219401:226844,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccnc(C(=O)C(F)(F)F)c3)s2)CC1,LCOPJVMVZBZHAU-UHFFFAOYSA-N
-rxn:4:219405:223059,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(N4CCNCC4)cc3Cl)n2)CC1,FNPANVITSOHDRH-UHFFFAOYSA-N
-rxn:4:219452:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CLHNSSTYMQADBN-UHFFFAOYSA-N
-rxn:4:219467:222584,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)n1,ULNWUYVCUCHSMR-UHFFFAOYSA-N
-rxn:4:219469:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WUEYBVDZPPPCLO-UHFFFAOYSA-N
-rxn:4:219491:223895,CCN1CCN(CCOc2ccc(-c3ccc(-n4nnc(C(=O)N5CCOCC5)c4C(C)C)cc3)cc2)CC1,SQAKTURCTFKGLT-UHFFFAOYSA-N
-rxn:4:219498:222432,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12,LVJLZRAEQAVTAX-UHFFFAOYSA-N
-rxn:4:219500:226529,CCOC(=O)c1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1,OJUVSWNBQHNHMI-UHFFFAOYSA-N
-rxn:4:219506:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2F)CC1,MUTULLGCMFEPAS-UHFFFAOYSA-N
-rxn:4:219545:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)cc2)CC1,WLXIQNAHYNGKAL-UHFFFAOYSA-N
-rxn:4:219546:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)cc2)cc1OCCCN1CCN(C)CC1,VSMYCPHGRGRNNV-UHFFFAOYSA-N
-rxn:4:219551:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C5CCN(C(C)C)C5=O)CC4)nc3)cc2F)CC1,LGTSJUGRACVGLI-UHFFFAOYSA-N
-rxn:4:219552:223279,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,XKNLQRCDBDNQBZ-UHFFFAOYSA-N
-rxn:4:219561:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(n5nc(-c6ccccc6)ccc5=O)CC4)c3)cc2)CC1,GYXVATPHFJNUSX-UHFFFAOYSA-N
-rxn:4:219565:226364,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)nc4)cc3)CC2)n1,ZZILPJGMFDRDCW-UHFFFAOYSA-N
-rxn:4:219569:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)cc2)CC1,ZLVQVXZZIDUSQJ-UHFFFAOYSA-N
-rxn:4:219627:223895,CCN1CCN(CCOc2ccc(-c3nnc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)s3)cc2)CC1,CCVJSTNSAZEBNB-UHFFFAOYSA-N
-rxn:4:219649:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)cc2)CC1,NXUQPXAVZPNRGU-UHFFFAOYSA-N
-rxn:4:219650:224198,CCN1CCN(Cc2ccc(-c3cc(CN4N=NC5C(=O)N(c6ccc(Cl)cc6)C(=O)C54)ccc3OC)c(F)c2)CC1,KZOBTPSOAWUGRB-UHFFFAOYSA-N
-rxn:4:219675:223755,CC1CCN(CCCOc2ccc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)cc2F)CC1,YGDPKYPXSYRGDY-UHFFFAOYSA-N
-rxn:4:219689:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn12,YKDLAMOQVIOQOV-UHFFFAOYSA-N
-rxn:4:219742:224777,O=C(c1cncc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,MRXQVXOEUAYOEK-UHFFFAOYSA-N
-rxn:4:219750:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,YRBSHMSPAKWSAJ-UHFFFAOYSA-N
-rxn:4:219760:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cccc(Cn2nc3c(S(=O)(=O)N4CCCCCC4)cccn3c2=O)c1,JUXCWZLYEXSOAX-UHFFFAOYSA-N
-rxn:4:219760:225232,CC1CCN(c2cc(-c3cccc(Cn4nc5c(S(=O)(=O)N6CCCCCC6)cccn5c4=O)c3)cnc2Cl)CC1,UIOXXXMJWZUJDM-UHFFFAOYSA-N
-rxn:4:219769:226844,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,YZEZMCYFYOOASC-UHFFFAOYSA-N
-rxn:4:219778:224612,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GDGFPLNSPJPRJE-UHFFFAOYSA-N
-rxn:4:219780:226602,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)c(OC(C)C)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SCTNQWWRGVADNW-UHFFFAOYSA-N
-rxn:4:219880:223911,CCOC(=O)C1(c2ccc(-c3cnc(SC)nc3N3CCN(S(C)(=O)=O)CC3)cc2)CCOCC1,LKQYBJWUMSGNJT-UHFFFAOYSA-N
-rxn:4:219891:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)c1,SJPRANQBHZIFJT-UHFFFAOYSA-N
-rxn:4:219894:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,ZGRUSKMKIUZCQI-UHFFFAOYSA-N
-rxn:4:219896:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4nccn4)CC3)c2)CC1,FASWNXCZEJNSSU-UHFFFAOYSA-N
-rxn:4:219913:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1,CXPPGBFIPNPMQH-UHFFFAOYSA-N
-rxn:4:219914:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3)cc2F)CC1,DBGCEKKURLVXGJ-UHFFFAOYSA-N
-rxn:4:219938:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)cc1OCCCN1CCN(C)CC1,KJEGCRZWKMUUOY-UHFFFAOYSA-N
-rxn:4:219942:223895,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)CC1,WAMPRNNEFWVGHH-UHFFFAOYSA-N
-rxn:4:219955:222910,CCCNS(=O)(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c(C)c1,NWZODCCIPLEOLE-UHFFFAOYSA-N
-rxn:4:219959:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,USMJXHKBRKBZTJ-UHFFFAOYSA-N
-rxn:4:219960:223755,Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)nn1,ZXUZWAKQJPHGPR-UHFFFAOYSA-N
-rxn:4:219960:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)cc3)cc2)CC1,WZKFLFDPMHAXJM-UHFFFAOYSA-N
-rxn:4:219963:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncncc4C)CC3)cc2)cc1OCCCN1CCN(C)CC1,NYAHDRPCKRFEEF-UHFFFAOYSA-N
-rxn:4:219963:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ncncc5C)CC4)cc3)cc2)CC1,YVVCPSWSBZNFJB-UHFFFAOYSA-N
-rxn:4:219964:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ncncc5C)CC4)c3)cc2)CC1,KFJDKQLMIWCYJJ-UHFFFAOYSA-N
-rxn:4:220114:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(c4nnc5ccccn45)CC3)o2)cc1OCCCN1CCN(C)CC1,IMRFOYSFKPWAPF-UHFFFAOYSA-N
-rxn:4:220137:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1)N1CCC(O)CC1,MRTYHMGXDQHYAQ-UHFFFAOYSA-N
-rxn:4:220191:223895,CCN1CCN(CCOc2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)cc2)CC1,PWISQVHBSSHDAK-UHFFFAOYSA-N
-rxn:4:220192:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(C)cc4)cc3)c(F)cc2C)CC1,SVJNEXWMJMUVLL-UHFFFAOYSA-N
-rxn:4:220400:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)n3)cc2)CC1,WNFSUEIGQXCTMO-UHFFFAOYSA-N
-rxn:4:220426:222947,OC1CCCN(c2ncc(-c3cnc(N4CCOCC4)nc3N3CCOCC3)c(Cl)n2)C1,ZAPZCKHIUSDQJX-UHFFFAOYSA-N
-rxn:4:220429:222624,CC(C)Cc1cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc(C2CCNCC2)n1,GNWAQUHBIWZKDD-UHFFFAOYSA-N
-rxn:4:220430:222947,OC1CCCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(Cl)n2)C1,GKRWRSBYVJHYLD-UHFFFAOYSA-N
-rxn:4:220430:224656,COc1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c(F)c1OC1CCCC1,ZZAFKBWCYPTXFO-UHFFFAOYSA-N
-rxn:4:220432:223755,Cc1cc(C)nc(N2CCN(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,STMBTTBXCCHYJI-UHFFFAOYSA-N
-rxn:4:220533:225191,Fc1cc(OC2CCCCC2)ncc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,NXZHSFIVDPTBJG-UHFFFAOYSA-N
-rxn:4:220935:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,CRGLETHNJIVMGC-UHFFFAOYSA-N
-rxn:4:221092:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(CCn5cccn5)CC4)nc3)c(F)cc2C)CC1,YVMYZNJLNFNTRT-UHFFFAOYSA-N
-rxn:4:221098:226844,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)c(C(F)F)n1,TVDZOXGPLKESCW-UHFFFAOYSA-N
-rxn:4:221107:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)Cn5cnc(C)c(C)c5=O)C4)nc3)ccc2F)CC1,IRRJXORQBUVKED-UHFFFAOYSA-N
-rxn:4:221110:229121,Cc1c(F)cncc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,ZCRQNIIDLFUWGW-UHFFFAOYSA-N
-rxn:4:221110:229232,CCc1ncsc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,WOVHVYMHACNEBM-UHFFFAOYSA-N
-rxn:4:221114:222678,CCOc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,HDOTVZAZCONULL-UHFFFAOYSA-N
-rxn:4:221115:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,DWQHRSGETZQDMA-UHFFFAOYSA-N
-rxn:4:221116:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZUWNYFJJOBTCE-UHFFFAOYSA-N
-rxn:4:221121:222803,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCNC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,XDXKSORAWKVRFN-UHFFFAOYSA-N
-rxn:4:221121:225319,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)c(N6CCOCC6)c5)ccc43)CC2)CC1,FZBMQKYERQMOKX-UHFFFAOYSA-N
-rxn:4:221124:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCOC)c(C)cn56)n(C)c4=O)cc3)c2)CC1,ZIMJEIKQXOAKNS-UHFFFAOYSA-N
-rxn:4:221126:226844,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccsc23)C1,RJRLVAVZHSDWBS-UHFFFAOYSA-N
-rxn:4:221129:226844,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccccc23)CC1,LLMQZZQLOOALGX-UHFFFAOYSA-N
-rxn:4:221147:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(OCC3CCCN(c4cc(C#N)ccn4)C3)nc2)c(Cl)c1,UQZWMTNIGOSBPH-UHFFFAOYSA-N
-rxn:4:221152:223755,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cn2)C1,OFWMENZNWQVUIP-UHFFFAOYSA-N
-rxn:4:221152:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)cc2)CC1,SIOCABDVTCKGRX-UHFFFAOYSA-N
-rxn:4:221155:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5cnccc5C#N)C4)nc3)c2)CC1,YEYQAIVTSKHGLQ-UHFFFAOYSA-N
-rxn:4:221169:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)c2)CC1,MVSLPGHZZWPNIT-UHFFFAOYSA-N
-rxn:4:221175:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)ccc2F)CC1,IGELNYAKPMPBRX-UHFFFAOYSA-N
-rxn:4:221175:224612,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)C2)C(=O)C1=O,LVUSMRZGIVIRPL-UHFFFAOYSA-N
-rxn:4:221175:228176,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(COC)c(F)c4)cn3)C2)C(=O)C1=O,KRWOTJKIMBTTDE-UHFFFAOYSA-N
-rxn:4:221175:228874,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cnc4Cl)cn3)C2)C(=O)C1=O,KNJSWNKRJNUCME-UHFFFAOYSA-N
-rxn:4:221175:228883,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cnc4F)cn3)C2)C(=O)C1=O,HBXIWHRONNMRNG-UHFFFAOYSA-N
-rxn:4:221181:223755,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)C2)nn1C,QQGQXZZITNCHJA-UHFFFAOYSA-N
-rxn:4:221190:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)c2)CC1,AWISDDVJWHYPGW-UHFFFAOYSA-N
-rxn:4:221204:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)c(F)cc2C)CC1,XRSWEYWQTWGIHW-UHFFFAOYSA-N
-rxn:4:221205:222630,c1cc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,QVKZYARRHUYEOF-UHFFFAOYSA-N
-rxn:4:221205:225723,CN(C)CCOc1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1Cl,ZROCJKQDTUDFGG-UHFFFAOYSA-N
-rxn:4:221205:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccn1)C(F)(F)F,PXYSACFTAKUHJT-UHFFFAOYSA-N
-rxn:4:221207:223279,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,FSUDYUCAEHCOBD-UHFFFAOYSA-N
-rxn:4:221208:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c2F)cc1,IORXWRNCBFYHEM-UHFFFAOYSA-N
-rxn:4:221209:224198,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c(F)c2)CC1,BFDVZHBTTNDXPR-UHFFFAOYSA-N
-rxn:4:221221:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc6nccn6n5)CC4)c3)c2)CC1,XCDRRIPPLUGPBA-UHFFFAOYSA-N
-rxn:4:221228:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)cc1OCCCN1CCN(C)CC1,SYNCCWDYBUQAOS-UHFFFAOYSA-N
-rxn:4:221243:223753,Cc1ccc(-c2ccc(-c3cc4c(=O)n(CC(=O)N(C)C5CCCCC5)ncn4n3)cc2)cc1OCCCN1CCN(C)CC1,NJBUIMLSBGGQBJ-UHFFFAOYSA-N
-rxn:4:221247:225977,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)nc2n(C)c1=O,TZRXDTSECZOHAF-UHFFFAOYSA-N
-rxn:4:221249:223065,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCNCC6)cc5F)cnn4c3)cc2)CC1,WYHKPDILKDFJSK-UHFFFAOYSA-N
-rxn:4:221338:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)n4nc(N(C)C)nc4N(C)C)cc3)cc2)CC1,RPBLHFGMHJCXMG-UHFFFAOYSA-N
-rxn:4:221369:224759,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,VDPLCDSDJYNJQV-UHFFFAOYSA-N
-rxn:4:221372:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5cc(N(C)C)cnn5)CC4)o3)c2)CC1,YGSWGJLEMJNONK-UHFFFAOYSA-N
-rxn:4:221384:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6cccnc6)nn5)CC4)o3)cc2F)CC1,MODVDNNKFFXGPU-UHFFFAOYSA-N
-rxn:4:221416:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,SSUWKTGYIWCJOL-UHFFFAOYSA-N
-rxn:4:221421:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,ZUVAINKJQDMCRV-UHFFFAOYSA-N
-rxn:4:221422:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IUCSWQRTRMQNLY-UHFFFAOYSA-N
-rxn:4:221424:224612,c1cc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(-c2ccc(OCCN3CCOCC3)cc2)c1,HLMVURISMLEVDE-UHFFFAOYSA-N
-rxn:4:221429:225723,CN(C)CCOc1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1Cl,YQXXXEDQGUJOFQ-UHFFFAOYSA-N
-rxn:4:221432:223997,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)c3)CC2)n1,DKXDIOUUASLNNF-UHFFFAOYSA-N
-rxn:4:221433:225880,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCOCC5)ncc4F)cc3)CC2)n1,GHOHPSNEVCLOMT-UHFFFAOYSA-N
-rxn:4:221436:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)cc3)cc2F)CC1,LAXYNFPFJJGVET-UHFFFAOYSA-N
-rxn:4:221440:223279,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,NHVUQHAZQFXNEM-UHFFFAOYSA-N
-rxn:4:221443:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,JWILCFSATWDODP-UHFFFAOYSA-N
-rxn:4:221445:226844,Cc1cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)nc(N2CCOCC2)n1,LGAWXHKBBJJDEE-UHFFFAOYSA-N
-rxn:4:221448:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,IZZNKYIHEUTRNB-UHFFFAOYSA-N
-rxn:4:221449:226844,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,UPPCAZPZGNDMHV-UHFFFAOYSA-N
-rxn:4:221450:222811,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1,IJJNTEONWFFRSR-UHFFFAOYSA-N
-rxn:4:221453:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,GOUFQSKRHWCCOJ-UHFFFAOYSA-N
-rxn:4:221455:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,MBKGWZDXOXVKMI-UHFFFAOYSA-N
-rxn:4:221455:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc1Cl,HDWVLFOUGKLETE-UHFFFAOYSA-N
-rxn:4:221456:228381,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)cc(C#N)cc4F)cc3)CC2)n1,SRPHFTUXXOFAHP-UHFFFAOYSA-N
-rxn:4:221495:223753,Cc1ccc(-c2ccc3[nH]cc(C(=O)C(=O)N4CCN(c5ncccn5)CC4)c3c2)cc1OCCCN1CCN(C)CC1,FWJFSSYZHVGMDF-UHFFFAOYSA-N
-rxn:4:221625:223753,Cc1ccc(-c2cnc(N3CCC(Cn4cnccc4=O)CC3)nc2)cc1OCCCN1CCN(C)CC1,MWZBESHVIGCLJW-UHFFFAOYSA-N
-rxn:4:221724:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CC(n5c(C(C)(C)C)nc6ccccc65)C4)nc3)cc2F)CC1,AWZFFCFPSDLKFM-UHFFFAOYSA-N
-rxn:4:221727:224612,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)cc2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,HSIBJBPMCLTCJM-UHFFFAOYSA-N
-rxn:4:221730:223650,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,SRXHQMMEWGNSDN-UHFFFAOYSA-N
-rxn:4:221762:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(C(C)C)c(C)c(C)n56)n(C)c4=O)cc3)ccc2F)CC1,YITLINBBYYDBSX-UHFFFAOYSA-N
-rxn:4:221780:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6C5CCCCC5)n(C)c4=O)cc3)ccc2F)CC1,NLDNRJJCVVVXCL-UHFFFAOYSA-N
-rxn:4:221791:223497,CC(c1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,IAXYBHJZXSGTQX-UHFFFAOYSA-N
-rxn:4:221832:224768,O=C(c1c(F)cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCC1,FRRCKBCJQRKKDW-UHFFFAOYSA-N
-rxn:4:221931:223753,CSc1ncc(C#N)c(N2CC(Cn3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cn3)C2)n1,ILYWBTORZKAUFW-UHFFFAOYSA-N
-rxn:4:221933:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)c2)C1,PEEDFNRRBBQVFD-UHFFFAOYSA-N
-rxn:4:221956:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCN4CCN(c5cc(-n6cccn6)ncn5)CC4)cc3)c(F)cc2C)CC1,WUQRWLTVPOBCRB-UHFFFAOYSA-N
-rxn:4:221965:223239,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCN6)c5)cc4)CC3)nn2)CC1,IUCGQVCCQQOBTN-UHFFFAOYSA-N
-rxn:4:221965:225723,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,GFCDMETYYODMKQ-UHFFFAOYSA-N
-rxn:4:221966:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4csc(N5CCN(c6ccc([N+](=O)[O-])c(-n7nc(C)cc7C)c6)CC5)n4)cc3)c2)CC1,QFISOKXQPFQYNX-UHFFFAOYSA-N
-rxn:4:221968:223834,Cc1cc(-c2ccc(CC(=O)N(C)C3CN(c4ccc5nncn5n4)C3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,MNZVDTWVQBUMSV-UHFFFAOYSA-N
-rxn:4:221976:225723,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCN(C)C)c(Cl)c6)c5)no4)C3C2=O)cc1,XPCNJQXICWVHIR-UHFFFAOYSA-N
-rxn:4:221979:223960,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCN(CC)CC7)c6)cc5)no4)C3C2=O)cc1,ILDHSILKDWQBLV-UHFFFAOYSA-N
-rxn:4:221986:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(CN5CCN(CC)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,FEUVWNNHFMIIAR-UHFFFAOYSA-N
-rxn:4:221988:224198,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(CC)CC5)cc4F)ccc3OC)nnc12,PPNUFQLNPVAMGS-UHFFFAOYSA-N
-rxn:4:222006:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5cc(-n6cccn6)ncn5)CC4)o3)cc2F)CC1,BMFQWDYKIUQMAD-UHFFFAOYSA-N
-rxn:4:222021:224612,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)c1F,SXEPGJDLIVOBCY-UHFFFAOYSA-N
-rxn:4:222031:223505,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,LCLYWUKAFJVAMA-UHFFFAOYSA-N
-rxn:4:222034:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,FQZWVDAMWCMGCV-UHFFFAOYSA-N
-rxn:4:222036:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCN(c5ccc(-c6ccncc6)nn5)CC4)c3)cc2)C1,CUMYRQWGFMUGNX-UHFFFAOYSA-N
-rxn:4:222037:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccnc6)nn5)CC4)cc3)cc2F)CC1,USQXAPOXSDHVDE-UHFFFAOYSA-N
-rxn:4:222037:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccnc6)nn5)CC4)cc3)cc2)CC1,LCUBZGVAISQZJN-UHFFFAOYSA-N
-rxn:4:222044:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)c(F)c2)CC1,BURGZKLMIYJXTD-UHFFFAOYSA-N
-rxn:4:222053:223755,CCc1cc(N2CCN(c3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nc(C(C)(C)C)n1,FRUGPMOOPUHYER-UHFFFAOYSA-N
-rxn:4:222081:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5ncnc6cnccc56)C4)nc3)cc2F)CC1,MQPKPZUWIIXVAY-UHFFFAOYSA-N
-rxn:4:222089:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,ZXRDJIMJBCMCOA-UHFFFAOYSA-N
-rxn:4:222102:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,VUSJQTAKEFKHAW-UHFFFAOYSA-N
-rxn:4:222108:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,PWKVCLJZJVIZCE-UHFFFAOYSA-N
-rxn:4:222120:223753,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(OCCCN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,RGZYPAZXNCOKQE-UHFFFAOYSA-N
-rxn:4:222120:225365,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)c(F)c(OC(C)C)c(F)c6F)cc5)no4)C3C2=O)cc1C,ADIPDPIZMUULHW-UHFFFAOYSA-N
-rxn:4:222161:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)c(F)cc2C)CC1,FGNMGUUMGRGBKL-UHFFFAOYSA-N
-rxn:4:222180:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC5CN(c6ccc(C#N)cn6)CC54)nc3)cc2)CC1,NILCFTSHBASMGZ-UHFFFAOYSA-N
-rxn:4:222194:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2Cl)CC1,LZISOCPXAHDCLX-UHFFFAOYSA-N
-rxn:4:222235:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n5C(C)C(C)=NN6C)n(C)c4=O)cc3)c2)CC1,HTWXYNNAPQRIFX-UHFFFAOYSA-N
-rxn:4:222249:224196,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cc(F)cc(CN7CCN(CC)CC7)c6)o5)CC4)ncnc32)cc1,BHMSRJLLSIIGGJ-UHFFFAOYSA-N
-rxn:4:222288:223755,CC1CCN(CCCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)cc2F)CC1,QGLRRLAFIUTCQD-UHFFFAOYSA-N
-rxn:4:222306:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(F)cc4)CC3)o2)cc1OCCCN1CCN(C)CC1,IBEMWXZYZOKKPY-UHFFFAOYSA-N
-rxn:4:222312:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)c3)cc2)CC1,CSQNUSNNIDKEAW-UHFFFAOYSA-N
-rxn:4:222331:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,QKWDVRRKMVDURF-UHFFFAOYSA-N
-rxn:4:222333:224612,c1cc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)ccc1OCCN1CCOCC1,PLCFRPNURPNFRK-UHFFFAOYSA-N
-rxn:4:222389:207000,CC(C)N1CCOC(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,FOOBGZOTWYALEE-UHFFFAOYSA-N
-rxn:4:222389:215781,Cc1n[nH]c(CN2CCOCC2)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AIJBLKIOLQVAMQ-UHFFFAOYSA-N
-rxn:4:222393:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)cc1OC,GVFHIHBLTALHIU-WKILWMFISA-N
-rxn:4:222394:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1,BHYYFXOUEFXHGM-IYARVYRRSA-N
-rxn:4:222511:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cc1OC,XZNYUQXJKJKOJE-UHFFFAOYSA-N
-rxn:4:222521:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1OC,AQXPEVDRVYFGOR-UHFFFAOYSA-N
-rxn:4:222540:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1OC,SQKXKJRKOFWTGL-UHFFFAOYSA-N
-rxn:4:222540:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,ZXRSBHZEFMTZJX-UHFFFAOYSA-N
-rxn:4:222600:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cc2)C2CCS(=O)(=O)C2)cc1,XLHIUGVMJWGSFT-UHFFFAOYSA-N
-rxn:4:222603:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC)c(NC(=O)OC(C)(C)C)cc1Cl,POAQGLVBTDMELJ-UHFFFAOYSA-N
-rxn:4:222613:174653,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)[C@@H](c2cc(OC)cc(OC)c2)[C@@H](c2ccc(OC)cc2)O3)c(C(F)(F)F)c1,CVPDMRFVWRJFNU-ROJLCIKYSA-N
-rxn:4:222613:187353,CCCNS(=O)(=O)c1ccc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)c(C(F)(F)F)c1,VRHYINGZZHUAQK-UHFFFAOYSA-N
-rxn:4:222632:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(=O)NCCN2CCCC2)c1,LYXPMABLSLQWJD-UHFFFAOYSA-N
-rxn:4:222693:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC,IRMIALDMWRQMEB-UHFFFAOYSA-N
-rxn:4:222713:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC)ccc1S(=O)(=O)NC(C)(C)C,UBQGXTFLISILQS-UHFFFAOYSA-N
-rxn:4:222720:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1OC,IAZPKFRCNVZWFG-UHFFFAOYSA-N
-rxn:4:222751:204598,Cc1ccc(-c2ccc3c(n2)CCCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C,SLFLTFOOHKSSLI-UHFFFAOYSA-N
-rxn:4:222810:184094,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)C2CCS(=O)(=O)C2)cc1,AQGGIWFNOBIXGW-UHFFFAOYSA-N
-rxn:4:222921:174656,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,VWXZYOSLLPSZLI-UHFFFAOYSA-N
-rxn:4:223091:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cnc(NC(=O)OC(C)(C)C)s3)c12)(C(C)C)C(C)C,FUICHRYZGCPRII-UHFFFAOYSA-N
-rxn:4:223093:185159,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,VDLLTYFMPDSEIF-UHFFFAOYSA-N
-rxn:4:223102:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccsc1S(=O)(=O)NC(C)(C)C,WENZJZXGZXVRIF-UHFFFAOYSA-N
-rxn:4:223102:199892,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c2c1,UIZQRRRRBBRMIB-UHFFFAOYSA-N
-rxn:4:223531:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,FHTRKJJNHOTJQB-UHFFFAOYSA-N
-rxn:4:223570:204751,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4C(=NC(=O)c5ccccc5)SC5CS(=O)(=O)CC54)c3)c(F)ncc21,CZPWGFRJKVTUBK-UHFFFAOYSA-N
-rxn:4:223660:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,CXHSKLRTQGUWNP-UHFFFAOYSA-N
-rxn:4:223681:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,KYFUJTZKXLTPLE-UHFFFAOYSA-N
-rxn:4:223761:187352,CC(C)[Si](c1ncc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)s1)(C(C)C)C(C)C,GJLSSJMZOODXBH-UHFFFAOYSA-N
-rxn:4:223840:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC,APTTZXQLVVKROB-UHFFFAOYSA-N
-rxn:4:223920:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1Cl,JGJCYVZARHFQMJ-UHFFFAOYSA-N
-rxn:4:223970:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,RHLKAFZTVYUNIG-UHFFFAOYSA-N
-rxn:4:223980:186368,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c2)CC1,WJHYGAKOOGHPHL-UHFFFAOYSA-N
-rxn:5:176852:225849:225985,COC(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(OC)c(-c2cnc(N3CCCCC3)cc2F)c1,WHTOSLJNXDVPKD-UHFFFAOYSA-N
-rxn:5:176872:225833:225926,COC(=O)c1cc(OC)c(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,BQBJUGKMXOAMHN-UHFFFAOYSA-N
-rxn:5:177181:225833:225871,CC(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,GDNOQWBKWXMJKV-UHFFFAOYSA-N
-rxn:5:177183:225834:225987,CCOC(=O)c1cc(C)c(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2cc(N3CCCCC3)ncc2F)c1,JVCXILXUTOYYNR-UHFFFAOYSA-N
-rxn:5:177184:225800:225849,CCOC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(C)c1-c1ccc(C(=O)N2CCSC2)cc1,TYBWTBDZZUGSQE-UHFFFAOYSA-N
-rxn:5:177184:225804:225849,CCOC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(C)c1-c1ccc(C(=O)N2CCC2)c(F)c1,PZUBLKFYGBWFEB-UHFFFAOYSA-N
-rxn:5:177186:225584:225448,CCOC(=O)c1cc(-c2cc(C)ccc2OC2CCCC2)c(-c2ccc(C(=O)N3CCCC3)cc2)cc1C,XZEBYBCKZKITER-UHFFFAOYSA-N
-rxn:5:177190:223056:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,HBKIOFWYNDKKNO-UHFFFAOYSA-N
-rxn:5:177190:223056:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,OSHOKLNPTKGYQB-UHFFFAOYSA-N
-rxn:5:177190:225576:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,SPLUHUKGKWBNNP-UHFFFAOYSA-N
-rxn:5:177190:225633:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,BRXBWZYBNFZJNJ-UHFFFAOYSA-N
-rxn:5:177190:225636:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,BYXDOXBXLXFJCS-UHFFFAOYSA-N
-rxn:5:177190:225638:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(C)CC3)nc2)c1,BGDOJIKLLNTLCZ-UHFFFAOYSA-N
-rxn:5:177190:225833:225834,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccnc(N3CCCCC3)c2F)c1,RTUKMXRLTQJCTP-UHFFFAOYSA-N
-rxn:5:177193:225834:225871,CCOC(=O)c1cc(C)c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cccc(N2C(=O)C=CC2=O)c1,PLBSQADNFOCREV-UHFFFAOYSA-N
-rxn:5:177373:226343:225585,c1ccc(-c2ccc(OCC3OCCO3)c(-c3ccc(OC4CCOC4)cc3)c2)c(CN2CCOCC2)c1,ILSDGPJHNLYNSK-UHFFFAOYSA-N
-rxn:5:177733:223294:225980,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2cc(N3CCOCC3)ncc2F)c1,LETMOCMORUGZPC-UHFFFAOYSA-N
-rxn:5:177733:225784:223064,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2ccc(C3CCNCC3)nc2F)c1,ATFZYNPNVXCFFM-UHFFFAOYSA-N
-rxn:5:177736:225980:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(N3CCOCC3)ncc2F)c1,SBXCTSHJQVCKEU-UHFFFAOYSA-N
-rxn:5:177736:226679:225982,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cnc(N3CCCC3)cc2F)c1,NNASYZDUTGQHRD-UHFFFAOYSA-N
-rxn:5:177891:225803:228701,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CC2)nc1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,XGZNKKRSXPXPPA-UHFFFAOYSA-N
-rxn:5:177891:226729:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1cnc(OC2CCOC2)nc1,FVTUZGBVIZAWHO-UHFFFAOYSA-N
-rxn:5:178120:225677:227592,COc1cc(F)cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CCCCC3)nc2F)c1OC,SCAVEULVJAOOTP-UHFFFAOYSA-N
-rxn:5:178121:226415:226185,c1ccc(N2CCOCC2)c(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CCOCC3)cc2)c1,LVFZGOXTAXNPHD-UHFFFAOYSA-N
-rxn:5:178225:222998:226152,COc1cc(C2CC2)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(F)cc(C3CCCNC3)c2)c1C,COIOEEYOIGPNAW-UHFFFAOYSA-N
-rxn:5:178278:226426:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1ccc(N2CCC(C)CC2)s1,UJCRRGLLDFEZJO-UHFFFAOYSA-N
-rxn:5:178295:222405:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,XJHJLOKQGQKZNT-UHFFFAOYSA-N
-rxn:5:178295:223203:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cccc(C3(O)CCC3)c2)CCC(=O)CC1,GJNDEITWVRERBN-UHFFFAOYSA-N
-rxn:5:178295:223269:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(NC(C)=O)c(F)c2)CCC(=O)CC1,FHCVITXBGOXAJI-UHFFFAOYSA-N
-rxn:5:178295:223285:227029,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C#N)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,OLXXQJKNKUEGQE-UHFFFAOYSA-N
-rxn:5:178295:223289:228437,CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(C(F)F)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UTLINIMXZONWRP-UHFFFAOYSA-N
-rxn:5:178295:223358:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,CGENBFVGRSXENS-UHFFFAOYSA-N
-rxn:5:178295:225498:228564,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,LSCZAVYKVWYEAX-UHFFFAOYSA-N
-rxn:5:178295:225515:228622,CCc1cc(F)ccc1-c1ccc(-c2cccc3c2OCC(C)(C)CO3)c(C2(C(=O)OC)CCC(=O)CC2)c1,FJBWGHKMXQTPAX-UHFFFAOYSA-N
-rxn:5:178295:225703:227312,CCC(C)c1ccc(-c2ccc(-c3ccc4sc(C(=O)OC)cc4c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,KLGRLMURQRKFDC-UHFFFAOYSA-N
-rxn:5:178295:226059:227860,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN4C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,XOBRGWWGVFAJLY-UHFFFAOYSA-N
-rxn:5:178295:226059:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,RDEYFKSHCMGSCL-UHFFFAOYSA-N
-rxn:5:178295:226059:228596,CCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,CQYTUFQPUBONGD-UHFFFAOYSA-N
-rxn:5:178295:226059:228606,CCc1ccc(F)c(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MELOQQSFPVZXOB-UHFFFAOYSA-N
-rxn:5:178295:226061:228146,CCc1cncc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,XHSXUOGWIQSCGM-UHFFFAOYSA-N
-rxn:5:178295:226062:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NSJYWRDUNPFFKH-UHFFFAOYSA-N
-rxn:5:178295:226070:226132,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CC4)cc3C)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,AYPKYBWNAIQOQA-UHFFFAOYSA-N
-rxn:5:178295:226085:228617,COC(=O)C1(c2cc(-c3c(C)cccc3OC)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,ZSHVLRQGWOFTOS-UHFFFAOYSA-N
-rxn:5:178295:226142:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2cccc(OC3CCCC3)c2)CCC(=O)CC1,YBEQRRKLFIIOAD-UHFFFAOYSA-N
-rxn:5:178295:226153:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2cc(C3CC3)c(OC)cc2C)CCC(=O)CC1,XHQZWPRMLUKPBQ-UHFFFAOYSA-N
-rxn:5:178295:226154:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,YZFXOESKKNGIPQ-UHFFFAOYSA-N
-rxn:5:178295:226172:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2cc(N3CCCC3)ccc2C)CCC(=O)CC1,OMQVSESJYOCUJO-UHFFFAOYSA-N
-rxn:5:178295:226188:228504,COC(=O)C1(c2cc(-c3cccc4c3CCC4)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CCC(=O)CC1,JLVNHULWTDNZFB-UHFFFAOYSA-N
-rxn:5:178295:226200:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc3c(c2)ncn3C(C)C)CCC(=O)CC1,GAWIJBOWQIBOME-UHFFFAOYSA-N
-rxn:5:178295:226322:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,SEAZIPNJRIQLOL-UHFFFAOYSA-N
-rxn:5:178295:226322:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,HXCXWPZPRGIWQT-UHFFFAOYSA-N
-rxn:5:178295:226322:228606,CCc1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CYKNTURNQBEYGW-UHFFFAOYSA-N
-rxn:5:178295:226341:226201,COC(=O)C1(c2cc(-c3ccc4nn(C(C)C)cc4c3)ccc2-c2cc(C(C)C)c(F)cc2OC)CCC(=O)CC1,MCSAEIKOSQZBGI-UHFFFAOYSA-N
-rxn:5:178295:226579:227810,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,GHHZLFIGGBWQAB-UHFFFAOYSA-N
-rxn:5:178295:226579:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YILJWAPZKIOYTE-UHFFFAOYSA-N
-rxn:5:178295:226579:228617,COC(=O)C1(c2cc(-c3c(C)cccc3OC)ccc2-c2cc(F)cc(C(=O)N(C)C)c2)CCC(=O)CC1,UUVJQSMPPYJWMC-UHFFFAOYSA-N
-rxn:5:178295:226589:228630,CCc1cc(F)cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GETSKORNABIZBN-UHFFFAOYSA-N
-rxn:5:178295:226589:228763,CCc1c(F)cncc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,WCBXNWYOALRTDP-UHFFFAOYSA-N
-rxn:5:178295:226907:228562,CCC(C)c1csc(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZRWDXURNUURZIH-UHFFFAOYSA-N
-rxn:5:178295:226910:228400,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,LQZKPMFNFBEUNA-UHFFFAOYSA-N
-rxn:5:178295:226911:225702,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc3ccccc3n2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,BORQKZFXLNAJQF-UHFFFAOYSA-N
-rxn:5:178295:226911:227939,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccccc2C(C)OC)cc1C1(C(=O)OC)CCC(=O)CC1,XFHSLYKMYFIBKJ-UHFFFAOYSA-N
-rxn:5:178295:226911:228277,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(OC)ccc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,XRDQSVZCZUCHAO-UHFFFAOYSA-N
-rxn:5:178295:226913:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(CC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZBIWAVFASWZVMM-UHFFFAOYSA-N
-rxn:5:178295:226914:228146,CCc1cncc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,JUQRZESATSIVMZ-UHFFFAOYSA-N
-rxn:5:178295:226920:228078,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4=O)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,WRJOXTBRMNDFCG-UHFFFAOYSA-N
-rxn:5:178295:226921:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C4CC4)c(C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SQZWICPDFXFTIS-UHFFFAOYSA-N
-rxn:5:178295:226923:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2cc(C)c(C3CC3)cc2C)CCC(=O)CC1,KFXRXRRIYBEZRA-UHFFFAOYSA-N
-rxn:5:178295:226968:227063,COC(=O)C1(c2cc(-c3ccc(C)cc3OC(C)C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,FTWPYVNUGWSWJN-UHFFFAOYSA-N
-rxn:5:178295:226968:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,CULNLCIXPCWBBX-UHFFFAOYSA-N
-rxn:5:178295:226971:227588,COC(=O)C1(c2cc(-c3c(OC)cc(F)cc3OC)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,DOPAGVRPCLSLDO-UHFFFAOYSA-N
-rxn:5:178295:226971:228395,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3OC)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,FYPLWBVRUURSEX-UHFFFAOYSA-N
-rxn:5:178295:226973:227043,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3C)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,DCOOMFNHZPRJLL-UHFFFAOYSA-N
-rxn:5:178295:226974:226916,COC(=O)C1(c2cc(-c3cccc(C4=CCCC4)c3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,LSKUMPOHVAMZMA-UHFFFAOYSA-N
-rxn:5:178295:227023:228146,CCc1cncc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,HZEFQXFNLTYZIX-UHFFFAOYSA-N
-rxn:5:178295:227025:227926,CCc1ncc(C2CC2)cc1-c1ccc(-c2ccc(SC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,KRZXPRNHLOEZHJ-UHFFFAOYSA-N
-rxn:5:178295:227025:227937,CCc1ncc(C2CC2)cc1-c1ccc(-c2cccc(SC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,DDNHAWJRQNIMOS-UHFFFAOYSA-N
-rxn:5:178295:227038:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,VZHLSHVATAPCKP-UHFFFAOYSA-N
-rxn:5:178295:227045:227904,CCN(C)c1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RUJBBDDRUKVKKL-UHFFFAOYSA-N
-rxn:5:178295:227046:227942,CCc1ccc(-c2ccc(-c3cc(C)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,ZHMQDGUBQBVXNF-UHFFFAOYSA-N
-rxn:5:178295:227048:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,OQSNXKWIINYRJV-UHFFFAOYSA-N
-rxn:5:178295:227051:226911,CCC(=O)c1ccc(-c2ccc(-c3c(CC)cc(C)cc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,HOOGDZQYAUSGLB-UHFFFAOYSA-N
-rxn:5:178295:227069:227706,COC(=O)C1(c2cc(-c3cc(OC)cnc3C(F)F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,AZWVHOGYFOJYBR-UHFFFAOYSA-N
-rxn:5:178295:227076:228253,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(P(C)(C)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KCIVAFFFYIVGCM-UHFFFAOYSA-N
-rxn:5:178295:227078:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(OC)ccc2C2CC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,JISOCSRJDPGUBF-UHFFFAOYSA-N
-rxn:5:178295:227079:228313,COC(=O)C1(c2cc(-c3ccc(OC)nc3OC)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,BEYOAHZQNVCEPV-UHFFFAOYSA-N
-rxn:5:178295:227103:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2sccc2C2CCCCC2)CCC(=O)CC1,YGRVCDDJIWTKQT-UHFFFAOYSA-N
-rxn:5:178295:227108:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C3CCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,CEPXUHLRQJANTK-UHFFFAOYSA-N
-rxn:5:178295:227124:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,OCVOOKXGBRPLFQ-UHFFFAOYSA-N
-rxn:5:178295:227206:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,IAMKNLQKLMUICG-UHFFFAOYSA-N
-rxn:5:178295:227207:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,LRMOPACHBSYVDR-UHFFFAOYSA-N
-rxn:5:178295:227209:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,QVNKJFOAUDABAR-UHFFFAOYSA-N
-rxn:5:178295:227286:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,ICBDHSYXZFMFBO-UHFFFAOYSA-N
-rxn:5:178295:227288:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,UHUDSXDRTSFIME-UHFFFAOYSA-N
-rxn:5:178295:227290:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2cccc(C(=O)N(C)C)c2)CCC(=O)CC1,PKXWFWMLLGZLHF-UHFFFAOYSA-N
-rxn:5:178295:227299:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(F)cc(CN(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HEKBCGGAGMHUGI-UHFFFAOYSA-N
-rxn:5:178295:227309:227529,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,JYMQBEIHXRVTOT-UHFFFAOYSA-N
-rxn:5:178295:227309:228125,CCC(C)c1cc(-c2ccc(-c3ccnc(OC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AWUNXACBXSPKLP-UHFFFAOYSA-N
-rxn:5:178295:227311:227338,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,RTUWDLCVGAQFDB-UHFFFAOYSA-N
-rxn:5:178295:227311:228283,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(F)cc3C(C)=O)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,AJODGQDHIQCZBY-UHFFFAOYSA-N
-rxn:5:178295:227312:227811,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,FVIFZPGYGWSGBR-UHFFFAOYSA-N
-rxn:5:178295:227312:228629,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCC4)s3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,GDPWLNBFAAZISV-UHFFFAOYSA-N
-rxn:5:178295:227313:228870,CCC(C)c1cc(-c2ccc(-c3cc(C(=O)OC)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,DAYXQHLVBBOKKD-UHFFFAOYSA-N
-rxn:5:178295:227319:228279,CCc1cc(F)c(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,SWDUKFJEMQOOEX-UHFFFAOYSA-N
-rxn:5:178295:227337:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2cc(F)ccc2OC(C)C)CCC(=O)CC1,UTTNIZOIFUNARU-UHFFFAOYSA-N
-rxn:5:178295:227338:227907,CCC(C)c1cncc(-c2ccc(-c3cc(OC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GGFRSTMQLDOVMN-UHFFFAOYSA-N
-rxn:5:178295:227340:227898,COC(=O)c1cc(-c2ccc(-c3cncc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,FUFOBDASLNWKRK-UHFFFAOYSA-N
-rxn:5:178295:227346:227995,CCCc1cc(F)c(-c2ccc(-c3cc(C)cc(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,PUJUDRVWLXJWGG-UHFFFAOYSA-N
-rxn:5:178295:227353:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,NSLXQEOAHBAHBB-UHFFFAOYSA-N
-rxn:5:178295:227353:227810,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,DIEKLPSIMOQZHD-UHFFFAOYSA-N
-rxn:5:178295:227353:227831,CCc1c(C)cc(-c2ccc(-c3c(C)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,NCUJWOOPKXQXRP-UHFFFAOYSA-N
-rxn:5:178295:227512:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IRWQHVCYBZEOQE-UHFFFAOYSA-N
-rxn:5:178295:227521:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)cnc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,GUNUPCWREXQBEJ-UHFFFAOYSA-N
-rxn:5:178295:227522:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AXRXUWFCPQIQJT-UHFFFAOYSA-N
-rxn:5:178295:227523:227811,COC(=O)c1cnc(C)cc1-c1ccc(-c2ccc(CC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,HOKJBSAZFMFPIB-UHFFFAOYSA-N
-rxn:5:178295:227540:228344,COC(=O)C1(c2cc(-c3ccc(SC(F)F)cc3)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,XZJGGEAJFQJKIV-UHFFFAOYSA-N
-rxn:5:178295:227540:228401,COC(=O)C1(c2cc(-c3c(F)ccc(F)c3OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,MVWFPQSVANXZEG-UHFFFAOYSA-N
-rxn:5:178295:227568:228447,COC(=O)C1(c2cc(-c3cccc(C(F)F)c3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,DWBPIVQYHPQIDF-UHFFFAOYSA-N
-rxn:5:178295:227589:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)cc(OC(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FHJNSDANCGDYJG-UHFFFAOYSA-N
-rxn:5:178295:227591:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,UIXUSPBUNAJXOT-UHFFFAOYSA-N
-rxn:5:178295:227591:227085,COC(=O)C1(c2cc(-c3ccc(C4CCCC4)nc3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,VTWAOUVZKSDNEH-UHFFFAOYSA-N
-rxn:5:178295:227810:225515,CCC(C)c1ccc(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ISMIFNSHCGHSTK-UHFFFAOYSA-N
-rxn:5:178295:227810:227412,CCC(C)c1ccc(-c2ccc(-c3cnc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VJJFQJRIBGUKJF-UHFFFAOYSA-N
-rxn:5:178295:227813:226916,CCc1cccc(CC)c1-c1ccc(-c2cccc(C3=CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,USOFFGXWBCJXGY-UHFFFAOYSA-N
-rxn:5:178295:227817:227077,CCC(C)c1ccc(-c2ccc(-c3ccccc3CC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VIUIOUMRCZSXKD-UHFFFAOYSA-N
-rxn:5:178295:227817:227317,COC(=O)C1(c2cc(-c3ccnc(OC(C)(C)C)c3)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,ZJUDWBVODBWISW-UHFFFAOYSA-N
-rxn:5:178295:227818:226059,CCC(C)c1cccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AIFQCCUBEZSGJL-UHFFFAOYSA-N
-rxn:5:178295:227819:226603,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IMCBDSAJEYXERO-UHFFFAOYSA-N
-rxn:5:178295:227820:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,XVANXEHNEGVZJZ-UHFFFAOYSA-N
-rxn:5:178295:227826:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WJIYCHKFQNAZCH-UHFFFAOYSA-N
-rxn:5:178295:228005:226084,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,GTAHZPASUAVGKF-UHFFFAOYSA-N
-rxn:5:178295:228005:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,CLCLAIICFGBOPX-UHFFFAOYSA-N
-rxn:5:178295:228005:227290,COC(=O)C1(c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,GHLMINSYFJZFOY-UHFFFAOYSA-N
-rxn:5:178295:228005:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C)c(SC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,PAHDXKRYOIHNSC-UHFFFAOYSA-N
-rxn:5:178295:228005:227674,COC(=O)C1(c2cc(-c3cc(C)c(F)c(F)c3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,KHVWWBYOGYHWHG-UHFFFAOYSA-N
-rxn:5:178295:228005:227705,COC(=O)C1(c2cc(-c3cnc(C(F)F)cc3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,GZWLOCXZOWKRRW-UHFFFAOYSA-N
-rxn:5:178295:228107:227079,CCC(C)c1ncncc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,RYEPHCJMLXFYIX-UHFFFAOYSA-N
-rxn:5:178295:228113:227079,CCc1nc(OC)ccc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,KULWGXSSWFJASF-UHFFFAOYSA-N
-rxn:5:178295:228153:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cc(OC)cc(OC)c2)CCC(=O)CC1,HFTHLIXAIBGWFB-UHFFFAOYSA-N
-rxn:5:178295:228157:227319,COC(=O)C1(c2cc(-c3cc(CC(C)C)ncc3F)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,WKIOKMVQXYPQPY-UHFFFAOYSA-N
-rxn:5:178295:228181:226771,COCc1cc(F)ccc1-c1ccc(-c2cc(F)c(F)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,RFGIHIDIWIVMJU-UHFFFAOYSA-N
-rxn:5:178295:228275:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)cc(F)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PPYDJBUHMKPVEZ-UHFFFAOYSA-N
-rxn:5:178295:228279:227309,CCc1cc(F)c(-c2ccc(-c3cc(F)nc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LMTMAWSGPLRECY-UHFFFAOYSA-N
-rxn:5:178295:228283:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,ILOJTNXTBFPKHM-UHFFFAOYSA-N
-rxn:5:178295:228396:227536,CCOc1cc(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cc1F,PEKYQGCUBLUVTI-UHFFFAOYSA-N
-rxn:5:178295:228415:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2cc(F)ccc2C(F)F)CCC(=O)CC1,QYMUKZZNGGPYRB-UHFFFAOYSA-N
-rxn:5:178295:228447:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2cccc(C(F)F)c2F)CCC(=O)CC1,ZSDZYHUPDFFEPB-UHFFFAOYSA-N
-rxn:5:178295:228455:227560,COC(=O)C1(c2cc(-c3ccc(OC)c(C(F)F)c3)ccc2-c2cnc(OC)nc2OC)CCC(=O)CC1,MKCPXUSFUJLOSU-UHFFFAOYSA-N
-rxn:5:178295:228551:225507,CCCc1ncccc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,SBVGTUSCXMAVHK-UHFFFAOYSA-N
-rxn:5:178295:228564:226974,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)COC4(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)s1,HCKWSCTUHLGCBP-UHFFFAOYSA-N
-rxn:5:178295:228564:227286,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,GZAXEUZHTQQTMG-UHFFFAOYSA-N
-rxn:5:178295:228565:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccc(CSC)cc2)CCC(=O)CC1,DVHWXRHPOBLUSL-UHFFFAOYSA-N
-rxn:5:178295:228567:226215,CCC(C)c1sccc1-c1ccc(-c2ccc3c(c2)CC/C3=N\OC)cc1C1(C(=O)OC)CCC(=O)CC1,JGXRUEQFUVKSGM-XPXRSFDGSA-N
-rxn:5:178295:228697:225498,COCc1cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,CKVQULQYXSUARS-UHFFFAOYSA-N
-rxn:5:178295:228745:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cnc(SC)cc2C)CCC(=O)CC1,OVLAVFOYWXWCGS-UHFFFAOYSA-N
-rxn:5:178295:228762:226322,CCn1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1=O,PTWRDAHWZNEJCX-UHFFFAOYSA-N
-rxn:5:178295:228791:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(SC)cc2F)CCC(=O)CC1,GKHGFLKNMXEPLI-UHFFFAOYSA-N
-rxn:5:178295:228791:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(SC)cc2F)CCC(=O)CC1,CZCZVBAKVVMMDB-UHFFFAOYSA-N
-rxn:5:178313:226322:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(=O)N(C)C)cc1C,UGTXGXWOHNZYER-UHFFFAOYSA-N
-rxn:5:178353:226364:225638,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2C)ccc1-c1ccc(N2CCC(C)CC2)nc1,OFJNVZMCTWGJFF-UHFFFAOYSA-N
-rxn:5:178353:226364:225640,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2C)ccc1-c1ccnc(N2CCCCC2C)c1,OWPZTNXNODPMJN-UHFFFAOYSA-N
-rxn:5:178353:226364:225654,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2C)ccc1-c1ccc(N2CCCC(C)C2)nc1,YSRYBTODWOBASO-UHFFFAOYSA-N
-rxn:5:178353:226364:225656,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2C)ccc1-c1cncc(N2CCCCC2C)c1,DWCGGSZQUHGQCN-UHFFFAOYSA-N
-rxn:5:178353:226364:225677,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(C4CCCCC4)nc3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,BAEPCXXHVUVDFC-UHFFFAOYSA-N
-rxn:5:178353:226364:225679,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,UGIDDNASZOUFCT-UHFFFAOYSA-N
-rxn:5:178353:226366:225639,Cc1cc(S(=O)(=O)Oc2ccc(-c3cccnc3N3CCC(C)CC3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,NRHVXHOFYWAQDX-UHFFFAOYSA-N
-rxn:5:178353:226366:225671,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(C4CCCCC4)ncc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,UHTHGQOMWZLWIM-UHFFFAOYSA-N
-rxn:5:178353:226366:225674,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,FVOKSEXQDOZSBL-UHFFFAOYSA-N
-rxn:5:178353:226366:225677,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(C4CCCCC4)nc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,AEZVSQPDPSIMSD-UHFFFAOYSA-N
-rxn:5:178353:226371:225636,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCC4)cc3C)cc2C)ccc1-c1ccnc(N2CCC(C)CC2)c1,MHDPQBOESUCKET-UHFFFAOYSA-N
-rxn:5:178353:226382:225631,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2C)ccc1-c1ccc(N2CCN(C)CC2)cc1,WTFLJKSURMPSKO-UHFFFAOYSA-N
-rxn:5:178353:226382:225634,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2C)ccc1-c1cnc(N2CCCCC2)c(C)c1,NNGSOBXXOGDAIM-UHFFFAOYSA-N
-rxn:5:178353:226382:225655,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2C)ccc1-c1cncc(N2CCC(C)CC2)c1,HNORFOAMYVJUMT-UHFFFAOYSA-N
-rxn:5:178353:226395:225613,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1-c1ccnc(OC2CCCCC2)c1,ZBELFDDLPMUADU-UHFFFAOYSA-N
-rxn:5:178353:226395:225633,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1-c1ccc(N2CCCCCC2)nc1,WYEBAYXLIRYIBZ-UHFFFAOYSA-N
-rxn:5:178353:226395:225634,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1-c1cnc(N2CCCCC2)c(C)c1,UIASWZTZHNCRMP-UHFFFAOYSA-N
-rxn:5:178353:226395:225654,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1-c1ccc(N2CCCC(C)C2)nc1,JBESZXUEJIOJBP-UHFFFAOYSA-N
-rxn:5:178353:226395:225656,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1-c1cncc(N2CCCCC2C)c1,VZAJRIOCSTWPKO-UHFFFAOYSA-N
-rxn:5:178353:226412:225636,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)cc(N4CCCC4)c3)cc2C)ccc1-c1ccnc(N2CCC(C)CC2)c1,WFIOMKYPKGCHEL-UHFFFAOYSA-N
-rxn:5:178353:226412:225638,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)cc(N4CCCC4)c3)cc2C)ccc1-c1ccc(N2CCC(C)CC2)nc1,YLXVHUIUPHEPDD-UHFFFAOYSA-N
-rxn:5:178353:226412:225656,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)cc(N4CCCC4)c3)cc2C)ccc1-c1cncc(N2CCCCC2C)c1,SODHYYCKTPUQBI-UHFFFAOYSA-N
-rxn:5:178353:226414:225613,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2C)ccc1-c1ccnc(OC2CCCCC2)c1,HNLKBZGEFGUKMH-UHFFFAOYSA-N
-rxn:5:178353:226414:225638,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2C)ccc1-c1ccc(N2CCC(C)CC2)nc1,HDBXUCCZCJJBIV-UHFFFAOYSA-N
-rxn:5:178353:226414:225655,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2C)ccc1-c1cncc(N2CCC(C)CC2)c1,IDPOUWVROYAPAH-UHFFFAOYSA-N
-rxn:5:178353:226420:225634,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(F)c(N4CCCC4)c3)cc2C)ccc1-c1cnc(N2CCCCC2)c(C)c1,FEYRQPAUHQRYJL-UHFFFAOYSA-N
-rxn:5:178353:226422:225640,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)ccc3N3CCCC3)cc2C)ccc1-c1ccnc(N2CCCCC2C)c1,ANDDJFINTHZSKP-UHFFFAOYSA-N
-rxn:5:178368:226364:225638,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCC(C)CC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,VIRSBSUHXVWPBH-UHFFFAOYSA-N
-rxn:5:178368:226364:225656,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4C)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,VUGOSTCWPKKQEP-UHFFFAOYSA-N
-rxn:5:178368:226366:225636,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,MBGUKNFYVZOYQW-UHFFFAOYSA-N
-rxn:5:178368:226366:225640,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4C)c3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,KLXCANGXHPSDAW-UHFFFAOYSA-N
-rxn:5:178368:226382:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1cnc(C2CCCCC2)nc1,OKGXXAHXDRAGEY-UHFFFAOYSA-N
-rxn:5:178368:226395:225641,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCC(C)C4)c3)c(C)c2)c(C)cc1-c1cncc(N2CCCCC2)c1,KHPHQDBZKFAARE-UHFFFAOYSA-N
-rxn:5:178368:226395:225655,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2)c(C)cc1-c1cncc(N2CCCCC2)c1,JAKBYZMFTAVPRL-UHFFFAOYSA-N
-rxn:5:178368:226412:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1cc(F)cc(N2CCCC2)c1,OGDFPQUGPXXRBQ-UHFFFAOYSA-N
-rxn:5:178466:223006:225633,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,AENDFWBFOLZAFR-UHFFFAOYSA-N
-rxn:5:178466:225982:223056,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,NTNLCKRNDIUUNN-UHFFFAOYSA-N
-rxn:5:178467:223006:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,OHHLARMVKMVOLU-UHFFFAOYSA-N
-rxn:5:178467:225833:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,MVOODAFCXQNKRZ-UHFFFAOYSA-N
-rxn:5:178467:225849:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,LVVHJJXPCOJQIZ-UHFFFAOYSA-N
-rxn:5:178467:225976:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NMNBTHZCSXNPNV-UHFFFAOYSA-N
-rxn:5:178467:227364:225499,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3ccc(OC)c(C)c3OC)c2OC1,CJWNAECYRQJASU-UHFFFAOYSA-N
-rxn:5:178467:227376:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,LJURFFLJSJZAHV-UHFFFAOYSA-N
-rxn:5:178467:227376:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,LXOGVGCAHYURNW-UHFFFAOYSA-N
-rxn:5:178568:223006:225784,Fc1ccc(-c2cc(Cc3ccc(C4CC4)cc3)c(-c3ccc(CN4CCOCC4)nc3)c3c2CCO3)cc1C1CCNCC1,AIHIWQXJTVJGMK-UHFFFAOYSA-N
-rxn:5:179629:222960:222959,COc1ccc(-c2cc(C)cc(C3CCNCC3)c2)c(S(C)(=O)=O)c1-c1ccc(C2CCNCC2)c(C)c1,AADBZEJPEILZJC-UHFFFAOYSA-N
-rxn:5:179629:225980:225871,COc1ccc(-c2cc(N3CCOCC3)ncc2F)c(S(C)(=O)=O)c1-c1cccc(N2C(=O)C=CC2=O)c1,ONOVLVPXUIACEU-UHFFFAOYSA-N
-rxn:5:180022:225640:226610,CCc1cc(-c2ccc(-c3ccnc(N4CCCCC4C)c3)c(C3OCCO3)c2OC)cc(C(F)(F)F)c1,JDFPLMCIEOBVQU-UHFFFAOYSA-N
-rxn:5:180402:226059:226140,COc1ccc(C(C)(C)C)cc1-c1cc(-c2ccc(C(C)C)cc2C(C)C)ccc1C(=O)C1CCCCC1,UDTNDYZDNNDIRQ-UHFFFAOYSA-N
-rxn:5:180402:226059:226154,COc1cc(C(C)(C)C)ccc1-c1cc(-c2ccc(C(C)C)cc2C(C)C)ccc1C(=O)C1CCCCC1,PCTBYGKBTGMOTQ-UHFFFAOYSA-N
-rxn:5:180421:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCCNC2)nc1,PPIJPAPTIMOAKU-UHFFFAOYSA-N
-rxn:5:180421:225832:227437,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCCO2)c1,OSMLRIQWJXSWHM-UHFFFAOYSA-N
-rxn:5:180662:222981:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,WLWRTYCWKHUZSM-UHFFFAOYSA-N
-rxn:5:180662:225498:227067,COC(=O)C1=Cc2cc(-c3ccc(OC)cc3C3CC3)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,NLJMZYYYAVSEBR-UHFFFAOYSA-N
-rxn:5:180662:225980:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,VNGBOVISCUEXOK-UHFFFAOYSA-N
-rxn:5:181906:222985:225394,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,XFGZVVXBAUODTI-UHFFFAOYSA-N
-rxn:5:181908:227610:225607,Cc1cc(-c2ccn(C3CCCCO3)n2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,KURWXZGQQUKBCO-UHFFFAOYSA-N
-rxn:5:182012:226652:222996,Cc1cc(-c2ccc(-c3ccc(F)cc3C3CCCNC3)c(C3CCCOC3)c2)n(C2CCCCO2)n1,YNZVBMJONCRALN-UHFFFAOYSA-N
-rxn:5:182012:226686:223056,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(C2CCCOC2)c1,SIFAUBSDTSBHCB-UHFFFAOYSA-N
-rxn:5:183062:223061:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc2c1OCCCO2,YVXKXWPKANGPSK-UHFFFAOYSA-N
-rxn:5:188445:226856:225613,COC(=O)c1cc(-c2cc(C(F)(F)F)ncc2OC)cc([N+](=O)[O-])c1-c1ccnc(OC2CCCCC2)c1,DJHQBHJDNVLJDI-UHFFFAOYSA-N
-rxn:5:189207:227823:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccccc2C(C)(C)C)cc1C(=O)ON1C(=O)CCC1=O,LBCLIFAIJRVZDA-UHFFFAOYSA-N
-rxn:5:189207:228007:223063,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)ccc2C2CC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,LCLZOJUGPSPKBU-UHFFFAOYSA-N
-rxn:5:189208:225814:225633,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1-c1ccc(N2CCCCCC2)nc1,FUNKHCKCOCPXMI-UHFFFAOYSA-N
-rxn:5:189209:228113:226749,CCc1nc(OC)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2c(OC)cccc2C(F)(F)F)c1,LCSJPXTWOQFSOW-UHFFFAOYSA-N
-rxn:5:189209:229052:226428,CCCn1nccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(N3CCCCC3C)cs2)c1,AUOSUKDDGQKAOS-UHFFFAOYSA-N
-rxn:5:189210:226920:227048,Cc1ccc(C(C)(C)C)cc1-c1cccc(-c2ccc(C(=O)C(C)C)cc2)c1C(=O)ON1C(=O)CCC1=O,PZLFHLOHSHFMTI-UHFFFAOYSA-N
-rxn:5:189211:223252:226395,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(F)c3c(c2)NCCO3)c1-c1cncc(N2CCCCC2)c1,BWXJRGKLSOPXRL-UHFFFAOYSA-N
-rxn:5:189212:223188:228233,CNc1cc(C(F)(F)F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(C(C)=O)cc2C)cn1,CURYTFUMNRVIJI-UHFFFAOYSA-N
-rxn:5:189323:226322:225871,Cc1cc(C(=O)N(C)C)ccc1-c1cnc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)OC(C)(C)C,PUERJENRADWAJS-UHFFFAOYSA-N
-rxn:5:189512:223061:225666,O=[N+]([O-])c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1S(=O)(=O)c1cccc(-c2cc(F)cc(N3CCCCC3)c2)c1,VCAJHBGVPRXWEP-UHFFFAOYSA-N
-rxn:5:189672:223018:226589,CC(C)c1cnc(C(F)F)cc1-c1c(/C=N/S(=O)C(C)(C)C)cccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,WIOJZBQHABSVLE-PUHLOBNQSA-N
-rxn:5:189718:225810:227767,CCn1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(OC)cc2C2OCCO2)c(C(F)(F)F)n1,MDTHDBZIVXUSHI-UHFFFAOYSA-N
-rxn:5:189908:226464:226189,COc1ccc2c(c1-c1cnc(-c3ccc(C4CCCC4)c(F)c3)c(OCC3CCCCC3)c1)OCCO2,PDRBLXRVYCKEMD-UHFFFAOYSA-N
-rxn:5:190128:223388:225849,COC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)c(-c3cnc(N4CCCCC4)cc3F)c2)CC1,WIVPHYCCYNPPMK-UHFFFAOYSA-N
-rxn:5:190128:225870:229015,COC1CCN(C(=O)c2ccc(-c3cc(F)cc(N4CCOCC4)c3)c(-c3ccsc3C(C)C)c2)CC1,GGKNSQPLNZSAIC-UHFFFAOYSA-N
-rxn:5:190131:228177:226772,COCc1ccc(F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2c(F)cc(C(=O)OC)cc2F)c1OC,KWSMUJLVPDHLLX-UHFFFAOYSA-N
-rxn:5:190194:225465:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(C3CCN(C)CC3)c2)ccc1OC,ZKZWCSYEOZRSIX-UHFFFAOYSA-N
-rxn:5:190194:226735:225439,COC1CCN(Cc2cccc(-c3cc(C#N)cc(C(F)(F)F)c3)c2-c2cccc(C(C)N3CCCC3)c2)CC1,XDLVFJFLGVEENN-UHFFFAOYSA-N
-rxn:5:190201:226588:223113,CC1CN(CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,JWJOPDPUOZNQNN-UHFFFAOYSA-N
-rxn:5:190231:225641:223062,COc1c(-c2ccnc(N3CCCC(C)C3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(C2CCNCC2)cc1F,LSHUOLFKYSKERH-UHFFFAOYSA-N
-rxn:5:190231:226366:225834,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCCC2)ncc1F,HRTQFKLTVLQGAC-UHFFFAOYSA-N
-rxn:5:190265:228497:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccnn1CC(F)(F)F,QNQGITKDJWNFRX-UHFFFAOYSA-N
-rxn:5:190336:226643:228518,CC#Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N4CCOCC4)nc3)c2OC)cc1,DFDLHUYGSGGHTK-UHFFFAOYSA-N
-rxn:5:190404:223388:225872,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,VTVSEYYKUJUIIE-UHFFFAOYSA-N
-rxn:5:190418:223058:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2C(=O)CC(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)C2=O)c(C)c1,NZRHWOVUXHJIME-UHFFFAOYSA-N
-rxn:5:190484:222993:226321,O=C(c1cccc(-c2cccc(N3CCCCC3O)c2)c1)N1CCC(c2ccccc2-c2ccc(SC3CCCC3)nc2)S(=O)(=O)CC1,WGDHKZRBDFQXCY-UHFFFAOYSA-N
-rxn:5:190484:226068:228227,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)C)nc3F)S(=O)(=O)CC2)c1,XQWPRJQCYKCPKL-UHFFFAOYSA-N
-rxn:5:190484:227084:227315,Cc1nc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(CC(C)C)cc3F)S(=O)(=O)CC2)c1,NZRFGRUCONFFRS-UHFFFAOYSA-N
-rxn:5:190484:227088:227124,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)cc(C(C)(C)C)n1,UWEOJAPIXXMRSH-UHFFFAOYSA-N
-rxn:5:190740:225834:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,NSTCTQIWAWUWDP-UHFFFAOYSA-N
-rxn:5:190742:225598:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(CN4CCSCC4)c3)c2c1-c1cc(C2CCNCC2)ncc1F,QBLUAZGEWYMKLT-UHFFFAOYSA-N
-rxn:5:190744:223062:223061,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,VYVRESCWAINKKY-UHFFFAOYSA-N
-rxn:5:190744:226583:223064,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,NWXFHBRTRMDTPW-UHFFFAOYSA-N
-rxn:5:190798:226058:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)c(-c2c(C(C)C)cccc2C(C)C)cn3C(=O)OC(C)(C)C)cc1C,NJEZIAGALRDTGX-UHFFFAOYSA-N
-rxn:5:190833:227052:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,ZAYGIYCHHXLDJU-UHFFFAOYSA-N
-rxn:5:190833:227286:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,NHLCYFSZHAGFKZ-UHFFFAOYSA-N
-rxn:5:190833:228646:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2cc(C)c(C)c(F)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,KLSNILHRXMAURC-UHFFFAOYSA-N
-rxn:5:190859:223285:226912,Cc1cc(CC(C)C)cc(-c2c(-c3ccccc3NS(C)(=O)=O)ccc3c2CCN3C(=O)OC(C)(C)C)c1,VGIQIJJJTRMYLJ-UHFFFAOYSA-N
-rxn:5:190859:226959:227048,CC(C)C(=O)c1ccc(-c2c(-c3ccc4c(c3)CC(C)(C)O4)ccc3c2CCN3C(=O)OC(C)(C)C)cc1,CGUPUTQUCKPMCA-UHFFFAOYSA-N
-rxn:5:190998:227935:226068,CCc1cc(-c2ccc3c(c2)CN(c2ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)ccc1OC,PUVLEXQTADKMRC-UHFFFAOYSA-N
-rxn:5:190998:227968:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1N1Cc2cc(-c3cnccc3C3CCC3)ccc2OCC1=O,BCXSOWKKKKSADF-UHFFFAOYSA-N
-rxn:5:191026:226911:227970,CCc1cc(C)cc(CC)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccncc3C(C)(C)C)c1)C=C(C(=O)OC)S2(=O)=O,LERNIFAMGVIUJI-UHFFFAOYSA-N
-rxn:5:191026:227909:226068,CCC(C)c1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(C(C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)ccn1,AMXMHSXZOCQIII-UHFFFAOYSA-N
-rxn:5:191026:228562:226058,CCC(C)c1csc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C(C)C)cccc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,XUSIRWQEAMVTDH-UHFFFAOYSA-N
-rxn:5:191026:228595:226058,CCc1ncc(C)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3c(C(C)C)cccc3C(C)C)c1)C=C(C(=O)OC)S2(=O)=O,UHUQEIQTUDWBPQ-UHFFFAOYSA-N
-rxn:5:191049:225849:223378,COc1cc(N2Cc3cc(-c4cnc(N5CCCCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnc2c(c1)NCCO2,XYBYSIMTENULTP-UHFFFAOYSA-N
-rxn:5:191049:225976:228653,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cnn2c1CCCC2,YJZUDWRAQHXZTO-UHFFFAOYSA-N
-rxn:5:192568:225445:225603,N#CC1(c2cccc(-c3ccc(C(=O)N4CCC4)c(-c4ccccc4OC4CCCCC4)c3)c2F)CCC1,WUDNCHISJPYYDQ-UHFFFAOYSA-N
-rxn:5:193226:226583:223061,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,FAUTWYXWLLHEKC-UHFFFAOYSA-N
-rxn:5:193226:227387:225980,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,VUHVDYJMLKTSKQ-UHFFFAOYSA-N
-rxn:5:193227:226037:227800,COc1c(C(F)(F)F)ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(F)nc(C(F)(F)F)c3)c2)c1F,AZSNNOLTCKAPLV-UHFFFAOYSA-N
-rxn:5:193228:223063:226175,Cc1cc(N2CCCC2)ccc1-c1cc(C(=O)N2CCSCC2)cc(-c2cc(F)nc(C3CCNCC3)c2)c1,RKOQEEGXWPGPPK-UHFFFAOYSA-N
-rxn:5:193230:223061:226645,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,PFXXOUKABVZCQT-UHFFFAOYSA-N
-rxn:5:193230:223062:226645,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,LKNLRJLWBJXKIQ-UHFFFAOYSA-N
-rxn:5:193336:226061:225498,CC(C)c1cc(-c2cccc(CN3CCOCC3)c2-c2cc(C3CCCCC3)ccc2F)cc(C2CC2)c1,WAGKYQRFIHLBPF-UHFFFAOYSA-N
-rxn:5:193382:222956:223142,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCNC4)nc3)c2)c(C2CCCNC2)c1,SNSCQYUSEADOQN-UHFFFAOYSA-N
-rxn:5:193382:222996:227387,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,NSZHMMLLTNDUDD-UHFFFAOYSA-N
-rxn:5:193382:223000:226649,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,HRVRXAZCRGABBK-UHFFFAOYSA-N
-rxn:5:193382:223002:225640,CC1CCCCN1c1cc(-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)ccn1,WANONWCYIFEGPP-UHFFFAOYSA-N
-rxn:5:193382:223065:225834,O=S(=O)(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,CYOQGBORHCYCLY-UHFFFAOYSA-N
-rxn:5:193382:223135:223140,O=S(=O)(c1ccc(-c2cccnc2C2CCCNC2)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,MZEDGYQQAMVXKC-UHFFFAOYSA-N
-rxn:5:193382:223137:225641,CC1CCCN(c2cc(-c3cc(-c4cncc(C5CCCNC5)c4)ccc3S(=O)(=O)N3CCOCC3)ccn2)C1,HDWLUNALVQDKKA-UHFFFAOYSA-N
-rxn:5:193382:223141:223064,O=S(=O)(c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,QLKGUQAOQSJKHI-UHFFFAOYSA-N
-rxn:5:193382:223148:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccccc2C2CNCCO2)ccc1S(=O)(=O)N1CCOCC1,OHXAPXNWJMRSJL-UHFFFAOYSA-N
-rxn:5:193382:223201:225641,CC1CCCN(c2cc(-c3cc(-c4ccccc4C4CCNC4)ccc3S(=O)(=O)N3CCOCC3)ccn2)C1,ABTWSDHJRRJKDH-UHFFFAOYSA-N
-rxn:5:193382:225657:223201,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3C3CCNC3)c2)ccc1N1CCOCC1,TYDLFAPXJKXXBU-UHFFFAOYSA-N
-rxn:5:193382:225982:226177,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccnc(C2CCCCC2)c1)N1CCOCC1,HYILJUFISCXMCP-UHFFFAOYSA-N
-rxn:5:193382:226366:226645,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,XIDQXNVBTGWQLQ-UHFFFAOYSA-N
-rxn:5:193382:226415:223061,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,NQAAFOZGSQNSOH-UHFFFAOYSA-N
-rxn:5:193382:226645:225881,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,OEIWSWKTQFQYKG-UHFFFAOYSA-N
-rxn:5:193382:226649:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cccnc2N2CCOCC2)ccc1S(=O)(=O)N1CCOCC1,DYUBLMJAJHCAQN-UHFFFAOYSA-N
-rxn:5:193382:228703:225980,O=S(=O)(c1ccc(-c2cnn(C3CCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,RHWUVBQJAYYCBU-UHFFFAOYSA-N
-rxn:5:193461:225605:226887,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(F)c(C(F)(F)F)c3F)c2)c1,ZDBKAOSPUWAPFC-UHFFFAOYSA-N
-rxn:5:193462:226589:226576,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(CN2CCC(=O)CC2)c1,NKKOMSSPGIBEAO-UHFFFAOYSA-N
-rxn:5:193506:223065:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2sccc2C2CC2)CC1,LLFJLHDLQCWDMP-UHFFFAOYSA-N
-rxn:5:193506:225666:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2ccc(C3CC3)nc2)CC1,GEVYYGPDNKNEPW-UHFFFAOYSA-N
-rxn:5:193506:225833:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cc(C3CC3)cs2)CC1,FMNNNHXOTWKEMJ-UHFFFAOYSA-N
-rxn:5:193506:225849:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cc(C3CC3)cs2)CC1,OJWMQXBQGXKBDK-UHFFFAOYSA-N
-rxn:5:193506:225872:229080,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2cnc(C3CC3)s2)CC1,YBQRZJXDTUHLHB-UHFFFAOYSA-N
-rxn:5:193506:227033:227055,COc1ccc(-c2cc(-c3ccc(C4CC4)c(C#N)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CC1,DFPDTLUZHDIINL-UHFFFAOYSA-N
-rxn:5:193506:227108:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ccc3F)cc2-c2ccnc(N3CCCC3)c2)CC1,CVFTYGYMVOCYGS-UHFFFAOYSA-N
-rxn:5:193506:227403:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2c(C3CC3)ccnc2F)CC1,YXKTVVKHKWKCEJ-UHFFFAOYSA-N
-rxn:5:193506:228012:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,BMNYHFGLQJKWEX-UHFFFAOYSA-N
-rxn:5:193506:228012:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,LKPREYMSKZKQRF-UHFFFAOYSA-N
-rxn:5:193506:228020:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,ORSUZUDFMQAJRQ-UHFFFAOYSA-N
-rxn:5:193506:228020:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,XDYHYEYBINAIOW-UHFFFAOYSA-N
-rxn:5:193506:228234:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,UEZGWPVEIIOPDH-UHFFFAOYSA-N
-rxn:5:193506:228234:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,JSMCPDSSDAPPOC-UHFFFAOYSA-N
-rxn:5:193506:228578:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,KNAVTZYZDANYRX-UHFFFAOYSA-N
-rxn:5:193506:228623:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CCC3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,ZPCXCIJZIKJHJR-UHFFFAOYSA-N
-rxn:5:193506:229013:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,AUJXDGVEJMENHL-UHFFFAOYSA-N
-rxn:5:193506:229013:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,CATLJSFBNQWWAZ-UHFFFAOYSA-N
-rxn:5:193506:229013:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,OGQQZHILOHOMRQ-UHFFFAOYSA-N
-rxn:5:193506:229016:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3ccsc3C3CC3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,RWQCMFLWNQBVME-UHFFFAOYSA-N
-rxn:5:193506:229016:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccsc3C3CC3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,SPOUXXGPVJNNRP-UHFFFAOYSA-N
-rxn:5:193506:229049:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4n3CCC4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,JVZVCFRUXMEKTC-UHFFFAOYSA-N
-rxn:5:193506:229080:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)s3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,IGKRTVABJTZNOM-UHFFFAOYSA-N
-rxn:5:193598:226059:226880,CC1CN(C(=O)c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cc(F)c(F)c(C(F)(F)F)c2)CCO1,PDYRJVZTLBZGAP-UHFFFAOYSA-N
-rxn:5:193652:222990:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc(C=C3N=C(c4ccc(-c5ccc(N6CCC(O)CC6)cc5)cc4)OC3=O)cc2)cc1,IPQYEHIYYPELKB-UHFFFAOYSA-N
-rxn:5:193711:223140:225439,CC(c1cccc(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)C2=O)c1)N1CCCC1,KSYZFJQKGWLANC-UHFFFAOYSA-N
-rxn:5:193756:225613:225806,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCCC3)c2)cc1-c1cnc(OC2CCCC2)cc1F,QWLLKRZLAVTHQD-UHFFFAOYSA-N
-rxn:5:193756:225808:225808,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cc(OC2CCCC2)ncc1F,MODGFRMRRUEHEJ-UHFFFAOYSA-N
-rxn:5:193756:226663:225803,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccnc(OC2CCOCC2)c1,SZHOTMLJQGJDRL-UHFFFAOYSA-N
-rxn:5:193756:226745:226338,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(OC3CCCC3)c2)c1,DHUHYCVIAVIICR-UHFFFAOYSA-N
-rxn:5:193756:226843:225653,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1ccc(N2CCCCC2C)nc1,DPQMVWGPQBZYQV-UHFFFAOYSA-N
-rxn:5:193756:227093:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cccnc3C3CCCC3)ccc2C(=O)N2CCCCC2C)c1,GTQFQOVZFFWBKG-UHFFFAOYSA-N
-rxn:5:193808:225980:225879,CC1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,XEOIGVJOWHAMEG-UHFFFAOYSA-N
-rxn:5:193809:225461:226980,Cc1cc(N2CCCCC2)ccc1-c1ccc(CN2CCC(C)CC2)c(-c2cccc3c2C(=O)CCC3)c1,SGFBOXIDMUWIOS-UHFFFAOYSA-N
-rxn:5:193809:227404:225927,CC1CCN(Cc2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(C(F)(F)F)ccc2N(C)C)CC1,HQBKGKNHYRFVDO-UHFFFAOYSA-N
-rxn:5:193866:225438:228508,CC(C)c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C(C)N3CCCC3)cc2)c1,UBJFMCPFHVLQHT-UHFFFAOYSA-N
-rxn:5:193866:226589:227024,CC(C)c1cnc(C(F)F)cc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cccc(C(C)N(C)C)c1,CZILWWBIRVQCOM-UHFFFAOYSA-N
-rxn:5:193866:226589:228562,CCC(C)c1csc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(C(F)F)ncc2C(C)C)c1,CBKGZPWBWMKJNE-UHFFFAOYSA-N
-rxn:5:193866:228140:227314,CC(C)Cc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C(C)N(C)C)s2)c(F)n1,BVNAQRYWGOHENE-UHFFFAOYSA-N
-rxn:5:193866:228508:225438,CC(C)c1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C(C)N3CCCC3)cc2)c1,AIVWSCDRBASQJJ-UHFFFAOYSA-N
-rxn:5:193867:226349:228177,COCc1ccc(F)cc1-c1cc(-c2cc(F)cc(OC(C)(C)C)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,PFHJLHZTQHWJNA-UHFFFAOYSA-N
-rxn:5:193869:226158:227376,Cc1cc(-c2ccccc2N2CCCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,RHNSJOBDLUNYAO-UHFFFAOYSA-N
-rxn:5:193869:228518:225633,CC#Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc1,OPGZRUCKINGQTA-UHFFFAOYSA-N
-rxn:5:193870:225633:228518,CC#Cc1ccc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1,SYHJCHRVOUFZGK-UHFFFAOYSA-N
-rxn:5:193870:225833:228572,Cc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)cc1C#N,XAVJEHGSPFQQOK-UHFFFAOYSA-N
-rxn:5:193870:226412:226175,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)cc2C)cc1-c1cc(F)cc(N2CCCC2)c1,CYMTVSBJPRLUAM-UHFFFAOYSA-N
-rxn:5:193871:223140:228370,Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccnc(C3CCCNC3)c2)c([N+](=O)[O-])c1,QRPOTNBEBZRHFK-UHFFFAOYSA-N
-rxn:5:193889:225633:225679,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCCCC3)cc2F)n1,NEUMJENLPOPALN-UHFFFAOYSA-N
-rxn:5:193889:225653:223065,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4C)nc3)c2C)c(-c2ccc(N3CCNCC3)cc2F)n1,LXBGPLIODAEOTC-UHFFFAOYSA-N
-rxn:5:193912:227337:226146,CC(C)Oc1ccc(F)cc1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4ccc(SC5CCCC5)cc4)cc3)C2=O)cc1,VERWRSNKEBIMEI-UHFFFAOYSA-N
-rxn:5:193967:225441:226732,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(C#N)c(C(F)(F)F)c2)c1,RFRLJTWBPPJAKY-UHFFFAOYSA-N
-rxn:5:193972:225666:229058,Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,KTXGUBHAOUPBJD-UHFFFAOYSA-N
-rxn:5:193972:225679:229058,Cc1cc(-c2ccc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,HBEZJOOAIUWTAF-UHFFFAOYSA-N
-rxn:5:193972:225679:229065,Cc1cc(-c2ccc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,WMROJMCWUAMOJD-UHFFFAOYSA-N
-rxn:5:193972:225833:229058,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,SGCVFPDGFJPNRZ-UHFFFAOYSA-N
-rxn:5:193972:225833:229228,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccsc1C#N,BMRUJHXEENYKFK-UHFFFAOYSA-N
-rxn:5:193972:225833:229229,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cscc1C#N,FBNZZZQEYKVUNB-UHFFFAOYSA-N
-rxn:5:193972:225849:228994,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C#N,SDMJXUXEDNELNP-UHFFFAOYSA-N
-rxn:5:193972:225849:229058,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,CNAHZTZOJKCBEM-UHFFFAOYSA-N
-rxn:5:193972:225849:229228,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccsc1C#N,FAVHRKWWOMWVIT-UHFFFAOYSA-N
-rxn:5:193972:225849:229229,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cscc1C#N,YYQIHCZIXWAUSV-UHFFFAOYSA-N
-rxn:5:193972:226159:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N4CCCCC4)c3)cc2C)c1,PKPXBOJFEVVTQW-UHFFFAOYSA-N
-rxn:5:193972:226159:228890,Cc1cc(-c2cccc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,HMWZJXJAAAVSGE-UHFFFAOYSA-N
-rxn:5:193972:226164:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)cc3)cc2C)c1,HHKAJMLQEVSTOB-UHFFFAOYSA-N
-rxn:5:193972:226366:228649,Cc1cc(C)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)c1,QUNOWTOQNUXRAT-UHFFFAOYSA-N
-rxn:5:193972:226366:228732,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C#N)c1F,IHAQHEXDTOPMIO-UHFFFAOYSA-N
-rxn:5:193972:226366:228744,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C#N)c1,FSOGSUGTRIFBQI-UHFFFAOYSA-N
-rxn:5:193972:226366:228747,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(F)cccc1C#N,WBRAWOBMMMFMBT-UHFFFAOYSA-N
-rxn:5:193972:226366:228753,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(F)c1C#N,IJDIQAGLNSVWGT-UHFFFAOYSA-N
-rxn:5:193972:226366:228888,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,WZUNFPPVTLCTDG-UHFFFAOYSA-N
-rxn:5:193972:226414:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=NCCCO4)cc3)cc2C)ccn1,LLZDEPXGAXFLAW-UHFFFAOYSA-N
-rxn:5:193972:227403:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)s3)cc2C)ccn1,GXAMAKIWBPOUKY-UHFFFAOYSA-N
-rxn:5:193972:228512:226366,CC#Cc1cccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,QIXUNURHQYCWLT-UHFFFAOYSA-N
-rxn:5:193972:228518:226364,CC#Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc1,XTOPHYFOACJPLI-UHFFFAOYSA-N
-rxn:5:193972:228518:226366,CC#Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1,ISHLJJXCPFVTEO-UHFFFAOYSA-N
-rxn:5:193972:228574:226366,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C#N)c1,FPFAMEYGEVOWJS-UHFFFAOYSA-N
-rxn:5:193972:228574:226395,Cc1ccc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C#N)c1,XHQVOWPHIJWWRR-UHFFFAOYSA-N
-rxn:5:193972:228744:226366,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,DFIDGWKYJBMWSM-UHFFFAOYSA-N
-rxn:5:193972:228890:227403,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,JUYWENAIPONFKU-UHFFFAOYSA-N
-rxn:5:193972:229060:225833,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,SRMVQHPYGZLNMQ-UHFFFAOYSA-N
-rxn:5:193972:229060:225849,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,JIQJPJXVEAOYSK-UHFFFAOYSA-N
-rxn:5:194058:223054:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,VBOJXVFGJMHNCW-UHFFFAOYSA-M
-rxn:5:194058:223054:225834,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCC(O)C1,GHLDQIUFMZOTKX-UHFFFAOYSA-M
-rxn:5:194058:223065:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,HEEFQLXTMDSGPG-UHFFFAOYSA-M
-rxn:5:194058:223065:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCCC1,RTNASOOPSXJMMZ-UHFFFAOYSA-M
-rxn:5:194058:225607:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCCC1,LHQUPIRIYGNQHD-UHFFFAOYSA-M
-rxn:5:194058:225607:225456,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCCCC1,HEZSDVSPAASIIL-UHFFFAOYSA-M
-rxn:5:194058:225607:225465,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCCCC1,HPBMPXJOMHTDMC-UHFFFAOYSA-M
-rxn:5:194058:225607:225679,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCCCC1,OXSFYYRBRMCXET-UHFFFAOYSA-M
-rxn:5:194058:225607:225805,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCCC1,IKIRYSXZJZQKHH-UHFFFAOYSA-M
-rxn:5:194733:228021:227505,CC(=O)c1cc(C)cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,UFHJKSURIBSEAE-BUHFOSPRSA-N
-rxn:5:194767:223056:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,TZKBWXUKNCBRRB-UHFFFAOYSA-N
-rxn:5:194767:223065:223061,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cc(C4CCNCC4)ncc3F)C2)c2ccccc21,VCEYPVJSHPGCMM-UHFFFAOYSA-N
-rxn:5:194782:227302:226343,Cc1cc(-c2ccc(-c3ccc(OC4CCOC4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cnc1OC(C)C,RUAXHSJGZRETEG-UHFFFAOYSA-N
-rxn:5:194791:223237:226899,O=C1C2C(c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1[nH]ncc1-c1ccccc1,QDSMHDZEXLWHBY-UHFFFAOYSA-N
-rxn:5:194791:225831:229102,Cc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5ccn(C)c(=O)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cnc1N1CCOCC1,ZILSNCNBUHUZJW-UHFFFAOYSA-N
-rxn:5:194791:227717:228016,O=C1C2C(c3ccc(-c4cc(C5CCCC5)cs4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(F)cc1OC(F)F,KVSHVHDDWRVYCB-UHFFFAOYSA-N
-rxn:5:194792:225656:229041,Cc1cccc(F)c1-c1ccc(N2C(=O)C3C(c4ccc(-c5cncc(N6CCCCC6C)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,FKUDHTWNATXUDM-UHFFFAOYSA-N
-rxn:5:196198:225833:225986,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,VRMXVTIILVBKKG-UHFFFAOYSA-N
-rxn:5:196198:226679:225986,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,BRNXCEVICITSSE-UHFFFAOYSA-N
-rxn:5:196408:225986:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,DNQAQPDAFFQGPD-UHFFFAOYSA-N
-rxn:5:196408:225986:225655,CC1CCN(c2cncc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,HTWWZDWMZIKUHO-UHFFFAOYSA-N
-rxn:5:196533:225450:226582,CN(C)C(=O)c1ccc(C2CC(=O)N(c3ccc(-c4ccc(C(=O)C5CCCC5)cc4)cc3)C2=O)c(F)c1,GLNUUVXKXFKISW-UHFFFAOYSA-N
-rxn:5:196619:225833:225986,O=C1CCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,RWEANKZOBDMDBY-UHFFFAOYSA-N
-rxn:5:196619:225849:225986,O=C1CCCN1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,QMNWKTDJYZCYHO-UHFFFAOYSA-N
-rxn:5:196789:225881:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(C5CCOCC5)nc4F)ccc3N3CCOCC3=O)c2)CC1,PYPGPOUZPPTYQJ-UHFFFAOYSA-N
-rxn:5:196917:226664:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(N3CCCC3)ncc2F)=N1,AFNCXEUNCXVKFD-UHFFFAOYSA-N
-rxn:5:196917:226679:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnc(N3CCCC3)cc2F)=N1,ORHFPHALEFIFSP-UHFFFAOYSA-N
-rxn:5:196919:225985:226664,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(N3CCCC3)ncc2F)=N1,PLORRCJBOZVXDU-UHFFFAOYSA-N
-rxn:5:196919:225985:226679,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(N3CCCC3)cc2F)=N1,QXZFMLRHSFDAGO-UHFFFAOYSA-N
-rxn:5:196923:226679:225986,O=C1CCCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,WGDRSKPCCZPYGV-UHFFFAOYSA-N
-rxn:5:196970:225832:226643,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCOCC2)nc1,GXNMQCAQGDSGPL-UHFFFAOYSA-N
-rxn:5:196978:226686:222985,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)c(-c2ccc(C3CCCNC3)nc2C)c1,RUMANYKQEYXTTL-UHFFFAOYSA-N
-rxn:5:197876:225601:223111,CC(C)c1n[nH]c2cccc(-c3cc4c(cc3-c3ccc(C5(C#N)CCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c12,SKWYMLDBTWTCCW-UHFFFAOYSA-N
-rxn:5:197876:226437:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,UZGXPGLHDMNEID-UHFFFAOYSA-N
-rxn:5:197876:227315:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OAVTWOOZWGAVSD-UHFFFAOYSA-N
-rxn:5:197876:227409:227088,Cc1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)n1,BGWITCAOBPPWMW-UHFFFAOYSA-N
-rxn:5:198558:223054:225834,CC(c1ccc(-c2ccc3c(c2)S(=O)(=O)N=C3c2cc(N3CCCCC3)ncc2F)s1)N1CCC(O)C1,PTYUHEKHKGDLGZ-UHFFFAOYSA-N
-rxn:5:198558:225607:223007,CC(c1ccc(-c2ccc3c(c2)S(=O)(=O)N=C3c2cc(F)cc(C3CCNCC3)c2)s1)N1CCCCC1,NOHGCYZERXOIRF-UHFFFAOYSA-N
-rxn:5:227867:178295:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cccc3c2OCCC3)CCC(=O)CC1,BDSZLHIDYOVJLL-UHFFFAOYSA-N
-rxn:5:227898:178295:227039,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)cc3)ccc2-c2cncc(CC(C)C)c2)CCC(=O)CC1,BGGHAJBDRSZJTA-UHFFFAOYSA-N
-rxn:5:227906:178295:227558,CCC(C)c1ncccc1-c1ccc(-c2ccc(OC(F)F)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,IICARIQXCQIDRV-UHFFFAOYSA-N
-rxn:5:227910:178295:225438,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,HEYHKMWBUYMJSW-UHFFFAOYSA-N
-rxn:5:227910:178295:227043,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,YSHJMYMFIROGOX-UHFFFAOYSA-N
-rxn:5:227932:178295:227704,COCc1ccc(C)c(-c2ccc(-c3cc(C(F)F)ncc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BPNUUTUTXAWHIH-UHFFFAOYSA-N
-rxn:5:227933:178295:227102,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HICFIMWFODQOEQ-UHFFFAOYSA-N
-rxn:5:227941:178295:227591,COCc1cc(C)cc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PIEANCNQOQGFSI-UHFFFAOYSA-N
-rxn:5:227957:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc(C(C)C)nc2C)CCC(=O)CC1,FOBMWVXOWVKPAW-UHFFFAOYSA-N
-rxn:5:227971:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cnccc2C(C)(C)C)CCC(=O)CC1,WKNICFUPRPSXIL-UHFFFAOYSA-N
-rxn:5:227971:178295:227044,COC(=O)C1(c2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2-c2cnccc2C(C)(C)C)CCC(=O)CC1,BGDMYXLOFANRPA-UHFFFAOYSA-N
-rxn:5:227974:178295:227290,COC(=O)C1(c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,OHXLMFLNGBRASK-UHFFFAOYSA-N
-rxn:5:227974:178295:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,XNTMCKAZIQGQGV-UHFFFAOYSA-N
-rxn:5:227999:178295:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2ccc(C(C)C)cc2F)CCC(=O)CC1,HBHMRRNWOQKGGY-UHFFFAOYSA-N
-rxn:5:228000:178295:223270,COC(=O)C1(c2cc(-c3ccc(F)cc3NC(C)=O)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,HVSZSXWGQUPYKA-UHFFFAOYSA-N
-rxn:4:173304:223960,CCOC(=O)C(=O)CC(=O)c1ccccc1-c1ccc(F)c(C(=O)N2CCN(CC)CC2)c1,DJVZCWSEBJRSNP-UHFFFAOYSA-N
-rxn:4:173306:222632,CCOC(=O)C(=O)CC(=O)c1cccc(-c2cccc(C(=O)NCCN3CCCC3)c2)c1,ZHYINEAUBTURLM-UHFFFAOYSA-N
-rxn:4:173338:222779,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)cc1,GEGHXUCNCTURNS-UHFFFAOYSA-N
-rxn:4:173517:223279,CC(C)(C)OC(=O)C1(Oc2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,NDZRIJKYVAKWMU-UHFFFAOYSA-N
-rxn:4:173553:224612,CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCN3CCOCC3)cc2)c1,ITPANCRPBSIVAD-UHFFFAOYSA-N
-rxn:4:173555:222647,Cc1cc(-c2ccc(C(=O)COC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)cc1NC(=O)OC(C)(C)C,SSGMYNUCNMUFIF-UHFFFAOYSA-N
-rxn:4:173579:224175,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(OC)ccc3C(=O)OCC(C)(C)C)c2)c1,AEVPKNZNCHZWCY-UHFFFAOYSA-N
-rxn:4:173611:222905,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cccnc3NC(=O)OC(C)(C)C)cc1)C2=O,PPVGUWADPIAHRK-UHFFFAOYSA-N
-rxn:4:173650:223035,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cccnc3NC(=O)C(C)(C)C)c1)C2=O,VOCYVDGJRJOYCX-UHFFFAOYSA-N
-rxn:4:173656:223624,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(COc4ccc(C(C)(C)C)cc4C)c3)cc1)C2=O,YBKADCNHIAXJMW-UHFFFAOYSA-N
-rxn:4:173656:225751,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(=O)N(C)C)cc3OC)cc1)C2=O,KSHAYHMTPJXCEB-UHFFFAOYSA-N
-rxn:4:173675:226067,Cc1oc2cc(-c3ccc(C4=CCCCC4)cc3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,QDXTUUITVGYOQK-UHFFFAOYSA-N
-rxn:4:173685:226844,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c1)C2=O,VRRHTEIXOBTMSL-UHFFFAOYSA-N
-rxn:4:173688:226844,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)C2=O,UTKLNJJXEFBTEC-UHFFFAOYSA-N
-rxn:4:173700:225723,COc1cc(-c2ccc(OCCN(C)C)c(Cl)c2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,WQLRZBYRVPTWDQ-UHFFFAOYSA-N
-rxn:4:173704:222972,COc1cccc2c(-c3ccccc3NC(=O)C(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,GLZDOAHKLNMNCQ-UHFFFAOYSA-N
-rxn:4:173705:224198,CCCC(=O)c1cc2c(oc1=O)c(-c1ccc(CN3CCN(CC)CC3)cc1F)cc1oc(C)c(C(=O)OCC)c12,KCKADFHVCDZYBK-UHFFFAOYSA-N
-rxn:4:173723:222711,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC(C)(C)C,GWWXVSLFHVZXAM-UHFFFAOYSA-N
-rxn:4:173723:222723,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,FLNHYLIPEDCLKY-UHFFFAOYSA-N
-rxn:4:173723:222773,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)cc1,XYPQFWIZZJWLNN-UHFFFAOYSA-N
-rxn:4:173723:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,TVCDSVVQLHAJQI-UHFFFAOYSA-N
-rxn:4:173723:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,OUTCCYRVZSEBSD-UHFFFAOYSA-N
-rxn:4:173723:222799,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)NC(C)(C)C,SNGHEEXXQWJTTF-UHFFFAOYSA-N
-rxn:4:173723:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,GCKZYYSQWPYBFQ-UHFFFAOYSA-N
-rxn:4:173723:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,QIZYCJLECZOCQZ-UHFFFAOYSA-N
-rxn:4:173723:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,KBXSCMQZRTXVSJ-UHFFFAOYSA-N
-rxn:4:173723:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,ZYSGOSJUVXRLFE-UHFFFAOYSA-N
-rxn:4:173723:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,AVVPGCIMWZRJAP-UHFFFAOYSA-N
-rxn:4:173723:223581,COC(=O)c1cccc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)n(C(=O)OC(C)(C)C)c12,RSDVTRONPNQRMN-UHFFFAOYSA-N
-rxn:4:173723:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,CGAUYMMAXOLXFC-UHFFFAOYSA-N
-rxn:4:173723:223896,COc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1C(=O)N(C(C)C)C(C)C,JEAYQRGRNZOSSX-UHFFFAOYSA-N
-rxn:4:173723:224290,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,SLGHRFSWDSSMIG-UHFFFAOYSA-N
-rxn:4:173723:224366,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)cc1,ZLYLRWQQMBBNER-UHFFFAOYSA-N
-rxn:4:173723:224399,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)cc1,YSEREGBWUOIBBN-UHFFFAOYSA-N
-rxn:4:173723:224653,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)cc1,UQQSPVMTMLCJLZ-UHFFFAOYSA-N
-rxn:4:173723:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,KVRUFBQDWDKGAV-UHFFFAOYSA-N
-rxn:4:173723:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,JTWKORJEUKIVDC-UHFFFAOYSA-N
-rxn:4:173723:224734,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cc1,QNIKHYMGJCITAN-UHFFFAOYSA-N
-rxn:4:173723:224745,CC(C)(C)OC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)cc1Cl,DXMSNTYHOBKFIU-UHFFFAOYSA-N
-rxn:4:173723:224818,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1,MXXVWGVEBKLELJ-UHFFFAOYSA-N
-rxn:4:173787:222524,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,QBHJIQLSUVKACP-UHFFFAOYSA-N
-rxn:4:173802:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,UXAOLKGSUYYGDQ-UHFFFAOYSA-N
-rxn:4:173802:222445,COc1cccc(CNC(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2F)c1,LEDSTRSZSWHEPS-UHFFFAOYSA-N
-rxn:4:173802:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc(F)c2s1,OEJRSRYJJTUWAB-UHFFFAOYSA-N
-rxn:4:173802:222634,O=S(=O)(OC(c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,JNONTHAZYALXIQ-UHFFFAOYSA-N
-rxn:4:173802:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ZGIHNLAHEOSYKE-UHFFFAOYSA-N
-rxn:4:173802:222674,O=C(NC1CCCCC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,IHDRKGHRHLJTCD-UHFFFAOYSA-N
-rxn:4:173802:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,BXVMEFWKXUMVOX-UHFFFAOYSA-N
-rxn:4:173802:222700,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1)C(F)(F)F)C(F)(F)F,WPVONCZKSFXTEE-UHFFFAOYSA-N
-rxn:4:173802:222720,O=S(=O)(OC(c1ccc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,XXEXOMFHYVYGER-UHFFFAOYSA-N
-rxn:4:173802:222723,O=S(=O)(Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1,QABBMEJYOQHULD-UHFFFAOYSA-N
-rxn:4:173802:222741,O=S(=O)(OC(c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1)C(F)(F)F)C(F)(F)F,YDLVGXPFMVNJQF-UHFFFAOYSA-N
-rxn:4:173802:222746,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,TVIDONIMDBLRER-UHFFFAOYSA-N
-rxn:4:173802:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VWJGAWOZFZRMIW-UHFFFAOYSA-N
-rxn:4:173802:222795,O=C(Nc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCOCC1,CWASWQISEVCZCH-UHFFFAOYSA-N
-rxn:4:173802:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,JIUDPPAEEQCBNP-UHFFFAOYSA-N
-rxn:4:173802:222875,CC(C)(C)NC(=O)c1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,IBHFSNWQWRMHRF-UHFFFAOYSA-N
-rxn:4:173802:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,RTSMFNSKVKAKLW-UHFFFAOYSA-N
-rxn:4:173802:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c1,GPYDQXNACYJVBC-UHFFFAOYSA-N
-rxn:4:173802:222885,O=C(NC1CCOC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,JXEDFPWBFQASIT-UHFFFAOYSA-N
-rxn:4:173802:222890,COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CCCNC2)n1,UTJRVKVVPCEIAW-UHFFFAOYSA-N
-rxn:4:173802:222934,CCNC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,AEKCWKAVQIYTLZ-UHFFFAOYSA-N
-rxn:4:173802:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,WPEPNBZNPHXWFH-UHFFFAOYSA-N
-rxn:4:173802:222973,CC(C)(C)NC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,AVUZARWIFRUGDS-UHFFFAOYSA-N
-rxn:4:173802:222995,O=S(=O)(OC(c1ccc(-c2cccc(N3CCCC(O)C3)c2)cc1)C(F)(F)F)C(F)(F)F,PQFPVXIUVZGKFS-UHFFFAOYSA-N
-rxn:4:173802:223022,COCCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,AXCXUOAZBUAQDS-UHFFFAOYSA-N
-rxn:4:173802:223023,CN(C)C(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,VNLNDNURFXGEDZ-UHFFFAOYSA-N
-rxn:4:173802:223049,O=C(NC1CC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,YWECXMLSUVWLAM-UHFFFAOYSA-N
-rxn:4:173802:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1,HOGNAVPLVTUVCZ-UHFFFAOYSA-N
-rxn:4:173802:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,FYMZCTXHZKEZHB-UHFFFAOYSA-N
-rxn:4:173802:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,XCQHPQUXCWZDDO-UHFFFAOYSA-N
-rxn:4:173802:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)s2)CC1,UUMXBMDGCFZHIH-UHFFFAOYSA-N
-rxn:4:173802:223662,O=C(OCc1ccccc1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c([N+](=O)[O-])c1,KKXUWSMXVCHQQC-UHFFFAOYSA-N
-rxn:4:173802:223743,Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1OCCCN1CCC(C)CC1,YARJLFCTOMNTMF-UHFFFAOYSA-N
-rxn:4:173802:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,BHUZTEIWNHJRLJ-UHFFFAOYSA-N
-rxn:4:173802:223985,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1,HZQWHARFXQODGC-UHFFFAOYSA-N
-rxn:4:173802:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,QWQWDXDDGAOUPU-UHFFFAOYSA-N
-rxn:4:173802:224087,O=S(=O)(OC(c1ccc(-c2cccc(OCCN3CCCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,QKRLAWLKSPMGGA-UHFFFAOYSA-N
-rxn:4:173802:224120,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1CO[Si](C)(C)C(C)(C)C,WYWSFQWMNJJMSQ-UHFFFAOYSA-N
-rxn:4:173802:224159,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cccc21,NUEAGZOWGZXSMA-UHFFFAOYSA-N
-rxn:4:173802:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,XVBCMIKNHKYJLN-UHFFFAOYSA-N
-rxn:4:173802:224270,CC(C)(C)OC(=O)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c2cccnc21,RLZBXRRCJDGDSW-UHFFFAOYSA-N
-rxn:4:173802:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc21,ALTCRPDBHDWKME-UHFFFAOYSA-N
-rxn:4:173802:224292,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1S(=O)(=O)OCC(C)(C)C,MHRLFJULOJAHGJ-UHFFFAOYSA-N
-rxn:4:173802:224317,CN1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)c2)CC1,VZOLNWAAOOECAQ-UHFFFAOYSA-N
-rxn:4:173802:224359,CCN(CC)C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,QISNIOPMHBZUQB-UHFFFAOYSA-N
-rxn:4:173802:224367,CC(C)COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC(F)(F)F,YQRWDYJNGBDBDN-UHFFFAOYSA-N
-rxn:4:173802:224412,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F)C(F)(F)F,DSLXKQMRSCEKDL-UHFFFAOYSA-N
-rxn:4:173802:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,CAHVFWSZBDSJJB-UHFFFAOYSA-N
-rxn:4:173802:224487,O=S(=O)(OC(c1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,SSQFWEMDRRZDTH-UHFFFAOYSA-N
-rxn:4:173802:224496,CCN1CCN(Cc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,QJUSAVMJIOOSRM-UHFFFAOYSA-N
-rxn:4:173802:224606,CCCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(Cl)c1OC(C)C,JYSFXWCKJIHBRX-UHFFFAOYSA-N
-rxn:4:173802:224617,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,JEJAVTNVGPFJSB-UHFFFAOYSA-N
-rxn:4:173802:224657,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,LFJHZJFIQJPXQK-UHFFFAOYSA-N
-rxn:4:173802:224659,CN1CCN(C(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,JIYJIXONXNVMHI-UHFFFAOYSA-N
-rxn:4:173802:224660,CN1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,BTCVZERIMNWZBV-UHFFFAOYSA-N
-rxn:4:173802:224669,CN1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)c2)CC1,NRUQSNLCQJSALZ-UHFFFAOYSA-N
-rxn:4:173802:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ZSSDJGDJIZIZCR-UHFFFAOYSA-N
-rxn:4:173802:224772,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c1)N1CCOCC1,CMEFMEURUSMFDT-UHFFFAOYSA-N
-rxn:4:173802:224790,CCCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC(F)(F)F,OALSITJWJCNQIB-UHFFFAOYSA-N
-rxn:4:173802:224802,COC(OC)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,AZGNSGQRJGTMOY-UHFFFAOYSA-N
-rxn:4:173802:224849,O=S(=O)(OC(c1ccc(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1)C(F)(F)F)C(F)(F)F,YSKWGBSCPFZJTQ-UHFFFAOYSA-N
-rxn:4:173802:224904,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)C1CCCCC1,JNZDGPNBXUHIAL-UHFFFAOYSA-N
-rxn:4:173802:224930,CCN(CC)Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC,RPWHTLOCRKUIQJ-UHFFFAOYSA-N
-rxn:4:173802:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,ASJFVSMFVUASQK-UHFFFAOYSA-N
-rxn:4:173802:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,NVCSETSGTLLSQV-UHFFFAOYSA-N
-rxn:4:173802:225158,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCSCC1,GPYZSSQNUVIJGX-UHFFFAOYSA-N
-rxn:4:173802:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,LEGMCNFOFUMWNK-UHFFFAOYSA-N
-rxn:4:173802:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,QJCCFNHCNUEMQB-UHFFFAOYSA-N
-rxn:4:173802:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GAJMHBLFRCEYSW-UHFFFAOYSA-N
-rxn:4:173802:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,QYZAGLGCWORACT-UHFFFAOYSA-N
-rxn:4:173802:225309,O=S(=O)(OC(c1ccc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)cc1)C(F)(F)F)C(F)(F)F,MFHZLYMHPVQYEC-UHFFFAOYSA-N
-rxn:4:173802:225338,O=S(=O)(OC(c1ccc(-c2ccc(F)c(COCC(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,XGHUULLEKOPHRA-UHFFFAOYSA-N
-rxn:4:173802:225342,CN(C)C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,HYIWGUSPCIQWJM-UHFFFAOYSA-N
-rxn:4:173802:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,LIUXNQONZADAMR-UHFFFAOYSA-N
-rxn:4:173802:225353,COC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(F)(F)F,VLGUAVSONVQFOM-UHFFFAOYSA-N
-rxn:4:173802:225373,COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)cc1OC(F)(F)F,YJFNMPULXAAIDI-UHFFFAOYSA-N
-rxn:4:173802:225382,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,HVGXEVHFIPMLLO-UHFFFAOYSA-N
-rxn:4:173802:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ZNTNKQQSADCIJT-UHFFFAOYSA-N
-rxn:4:173802:225557,COC(=O)C1(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,XADBPXNZKWLKLS-UHFFFAOYSA-N
-rxn:4:173802:225565,O=S(=O)(OC(c1ccc(-c2cccc(OCC3CCCO3)c2)cc1)C(F)(F)F)C(F)(F)F,HZLWPBQXCADXQS-UHFFFAOYSA-N
-rxn:4:173802:225590,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,VVBJGAOBNUZWGG-UHFFFAOYSA-N
-rxn:4:173802:225617,O=S(=O)(OC(c1ccc(-c2ccc(OC3CCCCO3)cc2)cc1)C(F)(F)F)C(F)(F)F,IMEQCPRVKCEQLZ-UHFFFAOYSA-N
-rxn:4:173802:225654,CC1CCCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)C1,MVQVLKXFFPVHBO-UHFFFAOYSA-N
-rxn:4:173802:225711,COC(COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)OC,HSHVLGUBYRGOED-UHFFFAOYSA-N
-rxn:4:173802:225750,CCN(CC)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(F)c1F,HORAAPXYIYEMKB-UHFFFAOYSA-N
-rxn:4:173802:225830,Cc1nc(N2CCCCC2)ncc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,UAGSFIFNWALYBH-UHFFFAOYSA-N
-rxn:4:173802:225872,O=S(=O)(OC(c1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,BHEMBGFUHHEQEZ-UHFFFAOYSA-N
-rxn:4:173802:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,QWVXKJVNMBCBBP-UHFFFAOYSA-N
-rxn:4:173802:225891,COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1C(OC)OC,WUQYSRIGPOMZHX-UHFFFAOYSA-N
-rxn:4:173802:225938,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)ncc2C2CC2)cc1)C(F)(F)F)C(F)(F)F,XTPPAYLAKZQMKP-UHFFFAOYSA-N
-rxn:4:173802:225976,O=S(=O)(OC(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1)C(F)(F)F)C(F)(F)F,JTVWRPWKWMYGEH-UHFFFAOYSA-N
-rxn:4:173802:225980,O=S(=O)(OC(c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,AEUJHKWWYMHOEK-UHFFFAOYSA-N
-rxn:4:173802:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,PVMBKKDWSXNOIB-UHFFFAOYSA-N
-rxn:4:173802:225997,CCOc1ncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(F)(F)F,KEMKPKGQRXQLEZ-UHFFFAOYSA-N
-rxn:4:173802:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,NBHFDUDBAZYCLJ-UHFFFAOYSA-N
-rxn:4:173802:226006,O=S(=O)(OC(c1ccc(-c2cc(F)cc(OCC(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,VNDJQZZAQSYYPE-UHFFFAOYSA-N
-rxn:4:173802:226028,N#Cc1c(C(F)(F)F)ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,MEARCSYYEAQHSV-UHFFFAOYSA-N
-rxn:4:173802:226559,CC(C)(C)OC(=O)c1csc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GQWATLDWFZSPFC-UHFFFAOYSA-N
-rxn:4:173802:226661,CN1CCN(c2csc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,GHLOVOUMJDNPRJ-UHFFFAOYSA-N
-rxn:4:173802:226836,CC(C)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)n1,QOQNZAKIGGPJKS-UHFFFAOYSA-N
-rxn:4:173802:226896,COCn1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)n1,JXIJSHSBNNCRLT-UHFFFAOYSA-N
-rxn:4:173807:226844,O=C(c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2C(F)(F)F)ccn1)C(F)(F)F,WQPOFUBZLDFMAM-UHFFFAOYSA-N
-rxn:4:173810:226844,O=C(c1cc(-c2ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c2)ccn1)C(F)(F)F,ZCAVXRSJUROLEB-UHFFFAOYSA-N
-rxn:4:174256:223895,CCN1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)CC(=O)OC(C)(C)C)c3)cc2)CC1,KHUODNOIXDVGIV-UHFFFAOYSA-N
-rxn:4:174257:224775,COC(=O)c1ccc(OCC2CCCO2)c(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c1,OYSDXISKLUENCP-UHFFFAOYSA-N
-rxn:4:174369:223651,COc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2C(C)=O)cc1,NPGDZCSORSERDV-UHFFFAOYSA-N
-rxn:4:174369:223670,COc1ccc(C(=O)Oc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2C(C)=O)cc1,UZJZMYNYIDOJPA-UHFFFAOYSA-N
-rxn:4:174406:222468,COC(=O)C1(c2ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc2)CC(OC)(OC)C1,ONZXPGHEOSQGDH-UHFFFAOYSA-N
-rxn:4:174418:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC4CCOCC4)cc(C(=O)OC)c3)c(F)c2)CC1,WYDHJSCBMTVIQW-AQYVVDRMSA-N
-rxn:4:174429:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)cc1,POEDDIDJQWYDCR-UHFFFAOYSA-N
-rxn:4:174574:223772,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc4ccc(OC)cc4n3C(=O)OC(C)(C)C)cc1)C2=O,XOTSIWUQKBBLPI-UHFFFAOYSA-N
-rxn:4:174647:223279,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3cnc(C4CCCN4)nc3)cc1)C(=O)c1ccccc1C2=O,DPXDIDAFDGEYLJ-UHFFFAOYSA-N
-rxn:4:174655:222913,CCCCCOc1cc2c(cc1-c1ccc(CNS(=O)(=O)C3CC3)cc1)C(C)(C)CCC2(C)C,LTJNUYUWOKHQCO-UHFFFAOYSA-N
-rxn:4:174656:223888,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c12)(C(C)C)C(C)C,KGDAAUODINZBGQ-UHFFFAOYSA-N
-rxn:4:174656:223939,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c12)(C(C)C)C(C)C,XDMUMCOJUSLRBW-UHFFFAOYSA-N
-rxn:4:175303:223712,COC(=O)COc1c(C)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C,VDROUULDKHCOII-UHFFFAOYSA-N
-rxn:4:175702:223898,COC(=O)C(C)(C)c1ccc(OC)cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,KPFTWYPKXMEIQA-UHFFFAOYSA-N
-rxn:4:175965:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1ccc(C)cc1,AFWVRCIANVBWHM-UHFFFAOYSA-N
-rxn:4:176018:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(F)cc1OCC1CCCCC1,WDBFZKGUWNBSCI-UHFFFAOYSA-N
-rxn:4:176050:225061,COc1cc(C2OCCCO2)c(-c2ccc(N3CCC(C)CC3)cc2F)c(OC)c1OC,PSELRXNSMLHGLE-UHFFFAOYSA-N
-rxn:4:176207:222628,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)ccc2O1,ULZNBPXIQNFYFP-JFGZAKSSSA-N
-rxn:4:176242:224612,O=C1C(=Cc2ccccc2-c2ccc(OCCN3CCOCC3)cc2)Oc2cc(OC(=O)C3CC3)ccc21,QQEDQFWARQSXTP-UHFFFAOYSA-N
-rxn:4:176271:224421,CC(C)=CCOc1ccc2c(c1)OC(=Cc1cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c1)C2=O,YLGWLQUVKNRLAM-UHFFFAOYSA-N
-rxn:4:176294:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)c1,HNUWLBWSAJERFR-UHFFFAOYSA-N
-rxn:4:176307:226844,O=C1C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,AFMHTBMIBWAELH-UHFFFAOYSA-N
-rxn:4:177386:223712,COC(=O)C1(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2F)CC1,QSVZORFASKIDLY-UHFFFAOYSA-N
-rxn:4:178021:223918,COc1cc(C2OCCO2)c(OC)cc1-c1cc(C(=O)N(C)C2CCCCC2)ccc1F,RDTGHWOEBCUPKH-UHFFFAOYSA-N
-rxn:4:178023:223918,COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c(OC)c1C1OCCO1,NILYUQSWSCDKHO-UHFFFAOYSA-N
-rxn:4:178179:223728,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CCCC4)c3)c(F)c2)CC1,OTUZKCKETIMZNW-UHFFFAOYSA-N
-rxn:4:178282:223712,COc1ccc(-c2c(C)cc(OCC3(C)COC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,XOIVSOLRTYDHOF-UHFFFAOYSA-N
-rxn:4:178384:225546,COc1cccc(OCC(C)C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ROKXNPHKUZJMAC-UHFFFAOYSA-N
-rxn:4:178384:228257,COc1cc(C)cc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QFCHPXBEJWLDKK-UHFFFAOYSA-N
-rxn:4:178572:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4OC(=O)Cc5cc(OC)c(OC)cc54)cc3)cc2)CC1,CGVGCDDHVKFYHD-UHFFFAOYSA-N
-rxn:4:178585:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(O[Si](C)(C)C(C)(C)C)CCO2,RPACFXCIFIUSJG-UHFFFAOYSA-N
-rxn:4:178585:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(O[Si](C)(C)C(C)(C)C)CCO4)cc2)CC1,HCYZFBWPCRIEAC-UHFFFAOYSA-N
-rxn:4:178597:228595,CCc1ncc(C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UEFCTMBMJRBEFJ-UHFFFAOYSA-N
-rxn:4:180038:222466,COc1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(C2OCCO2)c(F)c1F,NHZRCLGWCVUNBR-UHFFFAOYSA-N
-rxn:4:180414:222632,CC1(C)OC(=O)C(=CSc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)C(=O)O1,DFWFXGLDRFLJCH-UHFFFAOYSA-N
-rxn:4:180481:222389,Cc1cc(C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OC2CCCCO2)c1,BFEDYRCLGVABLL-UHFFFAOYSA-N
-rxn:4:180534:222632,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)o2)C(=O)O1,JVIWJBBFJGVPBL-UHFFFAOYSA-N
-rxn:4:180610:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)CC(C(=O)C(F)(F)F)C3=O)c1,ONVUJMQWCDGGNW-UHFFFAOYSA-N
-rxn:4:180611:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)c1,FFNDRQOHWDEHSZ-UHFFFAOYSA-N
-rxn:4:180611:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)C(=O)C(C(=O)C(F)(F)F)C4)ccc2F)CC1,IZOVDEIQFCJNMS-UHFFFAOYSA-N
-rxn:4:180611:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)C(C(=O)C(F)(F)F)C4)c(F)c2)CC1,TWBKDDQLHHKENZ-UHFFFAOYSA-N
-rxn:4:180792:223901,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)cc1C2=O,WULWOUHEKPZAFJ-UHFFFAOYSA-N
-rxn:4:180856:223919,CN(C(=O)c1ccc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1Cl)C1CCCCC1,OJBORSGRWLXQNQ-UHFFFAOYSA-N
-rxn:4:182090:222632,CC1(C)OC(=O)C(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)C(=O)O1,ZHNLSMNTZJDPMI-UHFFFAOYSA-N
-rxn:4:182285:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(OC)ccc4c3OCCCO4)c(F)cc2C)CC1,XCDRNTYDKSGYGK-UHFFFAOYSA-N
-rxn:4:182359:222706,COC1CCC2(CC1)Oc1ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc1C2=O,FGOUVVKJGVSIAL-UHFFFAOYSA-N
-rxn:4:182372:222698,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cc1C2=O,AJRGMHOFOOJFEF-GBWRQWNLSA-N
-rxn:4:182372:222771,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cc1C2=O,MRSXSZBOKZXITH-GBWRQWNLSA-N
-rxn:4:182372:223755,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc1C2=O,YWHYWHOLSFUHSD-BEESLVRJSA-N
-rxn:4:182372:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)C(=O)[C@]1(CC[C@H](OC)CC1)C3)cn2C(=O)OC(C)(C)C,WIHFBHAATLSBOX-BXJXBJKFSA-N
-rxn:4:182374:224613,CC(=O)c1cc2c(cc1-c1cccc(N(C)C(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,IPPBDHSXBICAEY-UHFFFAOYSA-N
-rxn:4:182376:222958,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C)c(C5CCNCC5)c4)cc3C2=O)C[C@@H]1C,WVVAHXKMQPHBHX-BFVWLKTBSA-N
-rxn:4:182376:222982,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3C2=O)C[C@@H]1C,XUWNNXJAFMBIRQ-AGGZSKEZSA-N
-rxn:4:182421:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc4ccc5cc(C(C)(C)C)cc6ccc(c3)c4c56)ccc2F)CC1,GDQJFHNULBWBCN-UHFFFAOYSA-N
-rxn:4:183163:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(=O)CC4(C)C)cc21,KVEMYVMSNKGBNH-UHFFFAOYSA-N
-rxn:4:183270:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc21,CDNJQAVHOJKCRY-UHFFFAOYSA-N
-rxn:4:183272:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,NVKCWQOWSFFZHF-UHFFFAOYSA-N
-rxn:4:183273:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,JKWCPECYNCBQNL-UHFFFAOYSA-N
-rxn:4:183379:224566,COC(=O)C1(c2ccc(-c3cc4c(c5c3OC(C)(C)C=C5)OC(C)(C)OC4=O)cc2)CCCC1,GDLXPMHMLHJQPY-UHFFFAOYSA-N
-rxn:4:183483:223960,CCOC(=O)CC(=O)c1cc(-c2ccc(F)c(C(=O)N3CCN(CC)CC3)c2)cc([N+](=O)[O-])c1,YWBNYVSJGMXXQU-UHFFFAOYSA-N
-rxn:4:183583:222632,COC(=O)C(C(=O)OC)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1[N+](=O)[O-],LZODXRNYSAGRCH-UHFFFAOYSA-N
-rxn:4:183617:223886,CCN(CC)C(=O)CSc1ccccc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,HWRCSXYTZHUQFK-UHFFFAOYSA-N
-rxn:4:183668:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)cnc21,IZZMZEXLFYSVII-UHFFFAOYSA-N
-rxn:4:183732:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)ccn1)C(F)(F)F,UVKGLQBNKYUPNY-UHFFFAOYSA-N
-rxn:4:183745:223093,COC(=O)CSC1CCN(C(=O)c2cccc(-c3cncc(NS(=O)(=O)C(C)C)c3)c2)C1,WBUMAWUSFTXOAX-UHFFFAOYSA-N
-rxn:4:183750:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)ccn1)C(F)(F)F,FCOCSZHJSKAULU-UHFFFAOYSA-N
-rxn:4:183786:224371,CCN(Cc1cccc(-c2cnc(N3CCC(C(=O)OC)CC3)nc2)c1Cl)C(=O)OC(C)(C)C,XRFGCYFTAIMTFN-UHFFFAOYSA-N
-rxn:4:183832:223079,CC(C)NS(=O)(=O)c1cccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c1,COMHIELJYCUCSV-UHFFFAOYSA-N
-rxn:4:183875:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,IGJZGVSDELTSEA-UHFFFAOYSA-N
-rxn:4:183937:226844,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCC1,BCODDPUFOYAEQC-UHFFFAOYSA-N
-rxn:4:183966:225803,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccnc(OC4CCOCC4)c3)c2)C1,IEDRDFYEJMNDPG-UHFFFAOYSA-N
-rxn:4:183969:222988,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C)nc(C4CCNCC4)c3)c(OC)c2)CC1,WVEDGMZNRLLKDF-UHFFFAOYSA-N
-rxn:4:183969:226968,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(C)(C)C4)c(OC)c2)CC1,WPQJGVHGIQSFFY-UHFFFAOYSA-N
-rxn:4:183989:226844,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DZSAEDDKMCRLMZ-IBGZPJMESA-N
-rxn:4:184001:226844,COC(=O)C1(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,YHZFMTCFHNAVED-UHFFFAOYSA-N
-rxn:4:184004:226844,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC2=S)cc1OC,KKZLBLRIEXVUEN-UHFFFAOYSA-N
-rxn:4:184018:223279,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,VFNCUYREMAIECF-UHFFFAOYSA-N
-rxn:4:184022:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,BEEYGUWCFXKSNX-UHFFFAOYSA-N
-rxn:4:184026:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,RLVRLSJOABSHAM-UHFFFAOYSA-N
-rxn:4:184026:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,PMRWVSVKWDVKHR-UHFFFAOYSA-N
-rxn:4:184028:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,RSAPQWNTAQIJIC-UHFFFAOYSA-N
-rxn:4:184049:225575,COC(=O)c1ccc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1C1CC1,FMJFJKLRYJXOOH-UHFFFAOYSA-N
-rxn:4:184062:226844,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,UBWZKEJKELKDJR-UHFFFAOYSA-N
-rxn:4:184070:228586,COC(=O)C1(c2ccc(-c3cccnc3C(C)C)cc2C)CCN(C(=O)OC(C)(C)C)C1,IHLLXFBAVVSGFZ-UHFFFAOYSA-N
-rxn:4:184073:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1,BTTVRBUGPCDXAH-UHFFFAOYSA-N
-rxn:4:184099:223239,CC(c1ccc(-c2cncc(C3CCCN3)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,FYNPSJLWZREFFY-UHFFFAOYSA-N
-rxn:4:184099:224181,CC(c1ccc(-c2ccc(C(=O)OCc3ccccc3)nc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,AFECFZKRYBLADV-UHFFFAOYSA-N
-rxn:4:184099:225723,CC(c1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,OHYRFFIHDLQMML-UHFFFAOYSA-N
-rxn:4:184099:226201,CC(c1ccc(-c2ccc3nn(C(C)C)cc3c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,NARRRTXORMIVLS-UHFFFAOYSA-N
-rxn:4:184099:226844,CC(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HDPWOWKVCAAKTF-UHFFFAOYSA-N
-rxn:4:184100:228612,COc1cccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c1C,GDDVPJNIUYTTQF-UHFFFAOYSA-N
-rxn:4:184128:224196,CCN1CCN(Cc2cc(F)cc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1,KIBFCQAJBXVTBR-UHFFFAOYSA-N
-rxn:4:184202:223279,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cnc(C4CCCN4)nc3)cc(OCc3ccccc3)c2C1=O,TVGIGASDCBNEOG-UHFFFAOYSA-N
-rxn:4:184227:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)COC(=O)CN4C(=O)C5C6C=CC(C6)C5C4=O)cc3)c2)CC1,BIGMOAMGLIHGSJ-UHFFFAOYSA-N
-rxn:4:184263:223694,CCOC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c(SC#N)c1,YMVZKTKAHCZNBD-UHFFFAOYSA-N
-rxn:4:184714:222426,COCCS(=N)(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)ccc1OC,WWMUVONKMLITDP-UHFFFAOYSA-N
-rxn:4:184791:223559,COC(=O)c1cc(OCc2ccccc2)ncc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KDRXDCMVCGEERA-UHFFFAOYSA-N
-rxn:4:184804:223754,COC(=O)c1cc(Oc2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)c(F)c2)ccc1[N+](=O)[O-],KMFXZFAVLIWDLF-UHFFFAOYSA-N
-rxn:4:184912:224649,COC(=O)C1CN(Cc2ccc(-c3cc(F)ccc3OCC3CCCCO3)c(OC)c2)C1,PEFNCCNOYYNTKD-UHFFFAOYSA-N
-rxn:4:185115:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,RPCXLFNOMRFRRK-UHFFFAOYSA-N
-rxn:4:185145:224393,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)C1,KGZYUBRUCPHSCH-UHFFFAOYSA-N
-rxn:4:185148:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,SZMRHFOGPPBOOU-UHFFFAOYSA-N
-rxn:4:185148:226844,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,KHOJXEVVPQVTSD-UHFFFAOYSA-N
-rxn:4:185155:224482,COC(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1CN1CCC(C(F)(F)F)CC1,MKZAGEYRCRBJRZ-UHFFFAOYSA-N
-rxn:4:185162:226844,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,KNFDQAMRWAEMCP-UHFFFAOYSA-N
-rxn:4:185163:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)C1,ZMUVJFLWVQMYFQ-UHFFFAOYSA-N
-rxn:4:185176:223755,CC1CCN(CCCOc2ccc(-c3ccc(CC(=O)N4C(=O)OC[C@H]4Cc4ccccc4)cc3)cc2F)CC1,VHKOHPPHKQVLHB-GDLZYMKVSA-N
-rxn:4:185176:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4C(=O)OC[C@H]4Cc4ccccc4)cc3)cc2)CC1,RHMJYQHSZKYWGM-GDLZYMKVSA-N
-rxn:4:185236:225723,COc1cc(C=C2N=C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)OC2=O)cc(Cl)c1OC(C)=O,AGPKIGAVVFRUNI-UHFFFAOYSA-N
-rxn:4:185237:222635,CCN(CC)Cc1cc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)cc(C(C)(C)C)c1,IHBJMMLKJVCBMI-FQEVSTJZSA-N
-rxn:4:185266:226844,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,NLHNSZVLILEHRL-UHFFFAOYSA-N
-rxn:4:185306:226844,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,RFGMOVKIRMVEOH-UHFFFAOYSA-N
-rxn:4:185308:226327,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4(C#N)CC4)cc3Cl)cc2)CC1,JUDWTMXPKRSWON-UHFFFAOYSA-N
-rxn:4:185328:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCCCC4)cc3OCc3ccccc3)c2)CC1,ZJGOLBHCXOTAAY-UHFFFAOYSA-N
-rxn:4:185343:225723,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(OCCN(C)C)c(Cl)c4)c3)C2=O)cc(OC)c1OC,XIGVHKJDFOEXPT-UHFFFAOYSA-N
-rxn:4:185346:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccnc2C#CC(C)(C)O[Si](C)(C)C(C)(C)C)cc1,IHASBFYPYVTNQU-UHFFFAOYSA-N
-rxn:4:185367:226844,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AUVIGKDNKYGRAE-UHFFFAOYSA-N
-rxn:4:185379:223670,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,HAJKUDFPAUTKFW-UHFFFAOYSA-N
-rxn:4:185381:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)C1,BXHJXLVCFDOPHJ-UHFFFAOYSA-N
-rxn:4:185398:226140,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(C(C)(C)C)ccc2OC)c1,PCOUYVFEUZVKKK-UHFFFAOYSA-N
-rxn:4:185398:226720,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(C(=O)OC)ncc2OC)c1,WCDPMUPRANCYCJ-UHFFFAOYSA-N
-rxn:4:185404:227103,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2sccc2C2CCCCC2)C1,MPVHZURLVDRUGB-UHFFFAOYSA-N
-rxn:4:185407:223930,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2cnn(C(=O)OC(C)(C)C)c2cc1C,IKQDMQDSFSLADX-UHFFFAOYSA-N
-rxn:4:185428:223279,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cnc(C3CCCN3)nc2)CC1,ZSMTUMYSOYAVLH-UHFFFAOYSA-N
-rxn:4:185428:225123,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccncc2OCC2CCCCO2)CC1,PXKMCKHGISDGSC-UHFFFAOYSA-N
-rxn:4:185434:224429,COc1cc(-c2ccc3cc(OCC(C)C)ccc3c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,WXPWNQCNAYSVBZ-UHFFFAOYSA-N
-rxn:4:185435:226844,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,OOSQZYZKFZGKLW-UHFFFAOYSA-N
-rxn:4:185511:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,IAKARSOOQUOPMS-UHFFFAOYSA-N
-rxn:4:185534:226911,CCc1cc(C)cc(CC)c1-c1ccc2c(c1)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C2,JEWBDESOCVOORM-UHFFFAOYSA-N
-rxn:4:185535:227091,COC(=O)[C@@H]1Cc2ccc(-c3cncc(C4CCCC4)c3)cc2CN1C(=O)OC(C)(C)C,SDVPAMYOJLPAMP-QHCPKHFHSA-N
-rxn:4:185535:227119,COC(=O)[C@@H]1Cc2ccc(-c3cc(C4CCCCC4)cs3)cc2CN1C(=O)OC(C)(C)C,VUBFAOUTKBPXKG-QFIPXVFZSA-N
-rxn:4:185580:224612,CCN(C(=O)c1cc2cc(-c3ccc(OCCN4CCOCC4)cc3)cc(OC)c2oc1=O)C1CCCCC1,BXCUEJYTHRDSBC-UHFFFAOYSA-N
-rxn:4:185585:224893,CC(C)(C)c1cc(-c2ccc3oc(=O)c(-c4ccc(OCC(=O)N5CCC(=O)CC5)cc4)cc3c2)cc(C(C)(C)C)n1,OKXSKWDXUSNFBI-UHFFFAOYSA-N
-rxn:4:185614:226844,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1ccnc(C(=O)C(F)(F)F)c1,KOKQJZSAZAQLDU-UHFFFAOYSA-N
-rxn:4:185628:224612,Cc1cc2oc(C(=O)N(Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)C3CCS(=O)(=O)C3)c(C)c2cc1C,TZIIHRLFXUPPCN-UHFFFAOYSA-N
-rxn:4:186282:223753,CCOC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc(S(N)(=O)=O)c1,UJJNZSGXVIDHFF-UHFFFAOYSA-N
-rxn:4:186337:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(OCC4(C#N)CCC4)c3)c(F)cc2C)CC1,DSMHPJBKANGRGX-UHFFFAOYSA-N
-rxn:4:186368:222658,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cc1OC,VHRNQEMACPGYDK-UHFFFAOYSA-N
-rxn:4:186368:222674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)NC3CCCCC3)c2F)cc1OC,NOWIQJBSLKHYCM-UHFFFAOYSA-N
-rxn:4:186368:223508,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1OC,MXPLUFZIUKUTIG-UHFFFAOYSA-N
-rxn:4:186368:223525,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,ACZBSGYZQIZVFT-UHFFFAOYSA-N
-rxn:4:186368:223649,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,CAPIEJZXHWMIAE-UHFFFAOYSA-N
-rxn:4:186368:223786,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1OC,ZFNAWELMQNXKIH-UHFFFAOYSA-N
-rxn:4:186368:223919,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cc1OC,MASJGXUQAIUQCH-UHFFFAOYSA-N
-rxn:4:186368:223971,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cc1OC,IGSAKPFDBXZKTB-UHFFFAOYSA-N
-rxn:4:186368:223974,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)cc1OC,CNLGGJFLEVEQCR-UHFFFAOYSA-N
-rxn:4:186368:223992,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC,ZISDYPIIHPSGEC-UHFFFAOYSA-N
-rxn:4:186368:224022,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC,NWKOXUQOMWGMTI-UHFFFAOYSA-N
-rxn:4:186368:224162,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1OC,INAHICVHSFXPSI-UHFFFAOYSA-N
-rxn:4:186368:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OC)c(C(=O)OC)cc2S(N)(=O)=O)cc1,PERZDLLOXCLEFE-UHFFFAOYSA-N
-rxn:4:186368:224187,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCN3CCCCC3)cc2F)cc1OC,XOBRXKOAUVJJNW-UHFFFAOYSA-N
-rxn:4:186368:224197,CCN1CCN(Cc2ccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)cc2F)CC1,ZZSRLVCHZOSAOK-UHFFFAOYSA-N
-rxn:4:186368:224199,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1OC,UKLLQMOIZURTJC-UHFFFAOYSA-N
-rxn:4:186368:224253,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(F)c(C(=O)N3CCCCC3C)c2)cc1OC,OXFIZGFJNCQPOX-UHFFFAOYSA-N
-rxn:4:186368:224290,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1OC,VWKBZJJPSXXOKV-UHFFFAOYSA-N
-rxn:4:186368:224327,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1OC,LCXNTRKGODGRIW-UHFFFAOYSA-N
-rxn:4:186368:224359,CCN(CC)C(=O)c1cc(-c2cc(OC)c(C(=O)OC)cc2S(N)(=O)=O)cc([N+](=O)[O-])c1,DVOLZBNZADQVSW-UHFFFAOYSA-N
-rxn:4:186368:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2cc(OC)c(C(=O)OC)cc2S(N)(=O)=O)c1,BKNUJPNYWCPUKX-UHFFFAOYSA-N
-rxn:4:186368:224364,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)cc1OC,XCODSAOBGCASGC-UHFFFAOYSA-N
-rxn:4:186368:224409,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1OC,VFFIEVZXEOHFBG-UHFFFAOYSA-N
-rxn:4:186629:222639,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1,ROXSLHYCCYKVFE-HNNXBMFYSA-N
-rxn:4:186629:223499,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FYTYSQZLZRLJMH-UHFFFAOYSA-N
-rxn:4:186629:223504,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,MBRZBZXSIJWLKT-UHFFFAOYSA-N
-rxn:4:186629:223526,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,GCXYHFMHXLYAFZ-UHFFFAOYSA-N
-rxn:4:186629:223574,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,IBJMXHLVPKQYBZ-UHFFFAOYSA-N
-rxn:4:186629:223583,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cn(C(=O)OC(C)(C)C)c2cc(C(=O)OC)ccc12,YUYJQKLYLHATLV-UHFFFAOYSA-N
-rxn:4:186629:223588,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,VVHAFIMWRYRYKI-UHFFFAOYSA-N
-rxn:4:186629:223597,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,ZPOPZOQDVHANCT-UHFFFAOYSA-N
-rxn:4:186629:223659,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,DANYVVFODJQFMB-UHFFFAOYSA-N
-rxn:4:186629:223699,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,UURLUZMWJKJRAE-UHFFFAOYSA-N
-rxn:4:186629:223755,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,TWISMRFZSRRNEQ-UHFFFAOYSA-N
-rxn:4:186629:223786,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,SJOKFPGHWLBCCP-UHFFFAOYSA-N
-rxn:4:186629:223834,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,ZZETWUSYPNYUNX-UHFFFAOYSA-N
-rxn:4:186629:223885,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,XRAGYCWZJYWTCU-UHFFFAOYSA-N
-rxn:4:186629:223892,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCN(C)CC2)cc1,HLPMGHULXBYBEL-UHFFFAOYSA-N
-rxn:4:186629:223952,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1,PUSGVRCWZJYBQT-UHFFFAOYSA-N
-rxn:4:186629:224008,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,LZMNVSUSHULNRV-UHFFFAOYSA-N
-rxn:4:186629:224127,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)N2CCN(CC)CC2)cc1,CWVCDGLXOGBSKG-UHFFFAOYSA-N
-rxn:4:186629:224176,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCSC2CCOCC2)cc1,DFPQPOAJSGIIDG-UHFFFAOYSA-N
-rxn:4:186629:224248,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1,WLOQHKAZMQCYNF-UHFFFAOYSA-N
-rxn:4:186629:224255,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(C(=O)N2CCCC(C)C2)c1,JLFCTFWGVLJLOC-UHFFFAOYSA-N
-rxn:4:186629:224307,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1c(F)cc(O[Si](C)(C)C(C)(C)C)cc1F,QQYTUTBQPHYCQA-UHFFFAOYSA-N
-rxn:4:186629:224316,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,OQIHXNDZGUVIMA-UHFFFAOYSA-N
-rxn:4:186629:224394,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,SMLOQDZQKPEZDO-UHFFFAOYSA-N
-rxn:4:186922:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,ILCYMZDMSYHQSP-UHFFFAOYSA-N
-rxn:4:186974:222700,O=C(COc1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1C1CCCNC1)N1CCCCC1,WTLQGKYFKIRYOI-UHFFFAOYSA-N
-rxn:4:187023:226844,O=C(c1cc(OC(F)F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,OYRBRPFRYJGYOY-UHFFFAOYSA-N
-rxn:4:187044:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCCN4CCOCC4)cc3)c(F)cc2C)CC1,FPGGSZCANXFOIJ-UHFFFAOYSA-N
-rxn:4:187054:224612,O=[N+]([O-])c1cccc(OCC2CCCCC2)c1-c1ccc(OCCN2CCOCC2)cc1,QSKRSTHWKFTNCW-UHFFFAOYSA-N
-rxn:4:187146:226844,O=C(Cc1cc(F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,ZOYLIYRZDGMVLU-UHFFFAOYSA-N
-rxn:4:187151:226844,O=C(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,CXZBQHHONAOCDJ-UHFFFAOYSA-N
-rxn:4:187185:222615,COC(=O)C1(C)CCN(Cc2ccc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)cc2)C1,UXNQKEKHQZISFT-UHFFFAOYSA-N
-rxn:4:187221:223492,Cc1cc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OJOUQUDSXZBQEQ-UHFFFAOYSA-N
-rxn:4:187221:225105,CCN(CC)C(=O)c1ccc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,SIKVQYJWPFWHGL-UHFFFAOYSA-N
-rxn:4:187260:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4ccc(CN5CCC5)cc4)c(F)c3)cc2F)CC1,ZKLQTOKLRYHXMV-UHFFFAOYSA-N
-rxn:4:187271:223239,FC(F)(F)c1ccc(-c2cncc(C3CCCN3)c2)c(CN2CCC(C(F)(F)F)CC2)c1,QRHLOGPSFDIAOP-UHFFFAOYSA-N
-rxn:4:187292:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCC4CCN(C)CC4)cc3)c(F)cc2C)CC1,CXHMHUXONISHAX-UHFFFAOYSA-N
-rxn:4:187300:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)c(F)cc2C)CC1,FLMWCKCHPQEHOZ-UHFFFAOYSA-N
-rxn:4:187313:222741,CCOc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCC1,NALSCWLSGHNMDO-UHFFFAOYSA-N
-rxn:4:187321:224361,CCOc1cccc(-c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)c1CN1CCCC(F)(F)C1,QEXCQRPNLJFBCQ-UHFFFAOYSA-N
-rxn:4:187395:223895,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCN(CC)CC5)cc4)cc3)SC2=S)cc1,WKYXJQCYGPWFFQ-UHFFFAOYSA-N
-rxn:4:187475:224588,CCC1CCCCN1c1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1COC,IQMTXEPUEPKCHX-UHFFFAOYSA-N
-rxn:4:187475:224669,CCC1CCCCN1c1ccc(-c2ccc(CN3CCN(C)CC3)cc2F)cc1COC,DGHHJLPBMPVXKP-UHFFFAOYSA-N
-rxn:4:187507:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,UFHBBQVUVYDSRP-UHFFFAOYSA-N
-rxn:4:187543:225051,COc1cc(-c2cc(F)cc(N3CCCC(C)C3)c2)cc(OC)c1CN1CCCC(C)C1,GYJSUUBMLKXONX-UHFFFAOYSA-N
-rxn:4:187566:223895,CCN1CCN(CCOc2ccc(-c3ccc(N(C4C=CS(=O)(=O)C4)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)CC1,YZURJCXJCPYINB-UHFFFAOYSA-N
-rxn:4:187579:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RLHQVCKVEVZIAA-UHFFFAOYSA-N
-rxn:4:187599:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)c4ccc(CN5CCCCC5)cc4)c3)c(F)cc2C)CC1,GBCUNLYDGZRGBZ-UHFFFAOYSA-N
-rxn:4:187602:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCCCC5)c4)cc3)cc2)CC1,KVHAZGYAGFOESD-UHFFFAOYSA-N
-rxn:4:187633:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)cc1F,PZDNNPQVLFCNPQ-UHFFFAOYSA-N
-rxn:4:187635:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)cc3)cc2)CC1,NTMYXEAHNWLDBW-UHFFFAOYSA-N
-rxn:4:187648:226059,CC(C)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(C(C)C)c1,VLEWDIXAHCKMME-UHFFFAOYSA-N
-rxn:4:187656:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N(CC)C4CCCCC4)cc3C)cc2)CC1,WHRDVTYBJVXUOB-UHFFFAOYSA-N
-rxn:4:187659:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,VVWRIQDXNJMGHK-UHFFFAOYSA-N
-rxn:4:187665:222908,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cncc(NC(=O)OC(C)(C)C)c2)c1,MUKYSFGWUCKEHD-UHFFFAOYSA-N
-rxn:4:187742:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)C(=O)N4CCCOC)c2)CC1,CYGPNSSIGQGOEM-UHFFFAOYSA-N
-rxn:4:187828:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)S(=O)(=O)N(CC(=O)OC(C)(C)C)C4=O)cc2)CC1,BFSXFATXFIWMLB-UHFFFAOYSA-N
-rxn:4:187889:222545,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C2=O,FCULEMRRVJOEKG-UHFFFAOYSA-N
-rxn:4:187916:225051,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)cc(N2CCCC(C)C2)c1,FFJAAXNFWGWMSJ-UHFFFAOYSA-N
-rxn:4:187920:223839,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,JXRAWKGSCNQHCJ-UHFFFAOYSA-N
-rxn:4:187938:224421,COc1cc2c(cc1OC)CC(=O)N(Cc1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)C=C2,JZTJOCVWPJWUOK-UHFFFAOYSA-N
-rxn:4:187956:224198,CCN1CCN(Cc2ccc(-c3ccc(C=C4Oc5cc(OC(=O)N6CCOCC6)ccc5C4=O)cc3)c(F)c2)CC1,CBHXVYGHCRRWTN-UHFFFAOYSA-N
-rxn:4:187961:222636,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc1)CC(C)(C)CC2=O,NOFCQCKSLBGLKF-HXUWFJFHSA-N
-rxn:4:187961:223638,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc1)CC(C)(C)CC2=O,XPEWYQFTDVAFHT-UHFFFAOYSA-N
-rxn:4:187961:224930,CCN(CC)Cc1cc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)ccc1OC,PFTFJJAGIKOGDS-UHFFFAOYSA-N
-rxn:4:187961:224962,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccccc3COC3CCOCC3)cc1)CC(C)(C)CC2=O,DOTBYMTYNQNATJ-UHFFFAOYSA-N
-rxn:4:187964:223569,COc1ccc(C2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F,RUVKAISWGUJLOR-UHFFFAOYSA-N
-rxn:4:187964:223895,CCN1CCN(CCOc2ccc(-c3cc(C4SCCN4S(=O)(=O)c4ccc5ccccc5c4)ccc3OC)cc2)CC1,YEXXTSHNLXTXMD-UHFFFAOYSA-N
-rxn:4:187966:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C=C(C(=O)c5ccc(OC)cc5)S(=O)(=O)c5ccccc54)c3)cc2)CC1,ZQEGKCHTDAGOKM-UHFFFAOYSA-N
-rxn:4:187969:223889,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cccc21,DUSRTWGSSDGMID-UHFFFAOYSA-N
-rxn:4:187981:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N=C4C=C(Sc5ccc(C)cc5)C(=O)c5ccccc54)cc3)cc2)CC1,OJYBSNHRILZORU-UHFFFAOYSA-N
-rxn:4:187990:224075,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc1,NOBWITMIQNFSRA-UHFFFAOYSA-N
-rxn:4:188013:223753,Cc1ccc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)cc1OCCCN1CCN(C)CC1,IWIWFAOZKCFXGT-UHFFFAOYSA-N
-rxn:4:188013:226844,O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WWHYBMPRMLBGIC-UHFFFAOYSA-N
-rxn:4:188034:223895,CCN1CCN(CCOc2ccc(-c3csc(C(=O)C(F)(F)C(F)(F)F)n3)cc2)CC1,CUOSEKVHZVDSHN-UHFFFAOYSA-N
-rxn:4:188453:223753,COC(=O)c1cc(F)cc([N+](=O)[O-])c1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,VKDCKLNZARLYFD-UHFFFAOYSA-N
-rxn:4:188922:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(N)(=O)=O)c(C(=O)OC)c3)c(F)cc2C)CC1,CCCIWNJWVISVGQ-UHFFFAOYSA-N
-rxn:4:188922:223755,COC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)ccc1S(N)(=O)=O,SHRXKMIIFVBRAU-UHFFFAOYSA-N
-rxn:4:188935:223755,COC(=O)c1cc(S(N)(=O)=O)cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1F,JVLAUVOJBGKDRQ-UHFFFAOYSA-N
-rxn:4:188992:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC4CCC4)c(C#N)c3)c(F)cc2C)CC1,MLLYXHFVSCBSNZ-UHFFFAOYSA-N
-rxn:4:189356:223755,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,LKXQNNGSFPRHTO-UHFFFAOYSA-N
-rxn:4:189507:223508,O=S(=O)(c1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc(C(F)(F)F)c1)N1CCC1,KBFMQSMRSHSWGH-UHFFFAOYSA-N
-rxn:4:189578:223895,CCN1CCN(CCOc2ccc(-c3cc(OC(F)(F)F)cc(N4CCCC4)c3)cc2)CC1,UQWUYVIQXNLQKG-UHFFFAOYSA-N
-rxn:4:189601:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,HJEOVSRTRHCSJS-UHFFFAOYSA-N
-rxn:4:189664:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(CC(=O)N4CCCC4)c(Cl)c3)c2)CC1,XUHPDPNFNNDKAL-UHFFFAOYSA-N
-rxn:4:189668:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(Cl)ccc3CC(=O)N3CCCC3)c2)CC1,BOFVKZZAAKCNDE-UHFFFAOYSA-N
-rxn:4:189676:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(CC(=O)N4CCCC4)ccc3Cl)cc2F)CC1,IOYSHLYPSORGEI-UHFFFAOYSA-N
-rxn:4:189679:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(CC(=O)N4CCCC4)c(F)c3)c2)CC1,MORFERGIPZMIHH-UHFFFAOYSA-N
-rxn:4:189867:224991,O=S(=O)(c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)c(C(F)(F)F)c1)N1CCCC1,OMJHQFPWQDEGFF-UHFFFAOYSA-N
-rxn:4:189916:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=O)N4CCCCC4)cc3)cc2)CC1,HIDNGYIZPGYKMP-UHFFFAOYSA-N
-rxn:4:189965:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)c(C=C4SC(=S)N(CC)C4=O)c3)c2)CC1,UVRMSBRIHYPLQJ-UHFFFAOYSA-N
-rxn:4:189973:222730,CCCc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc(C2CCNCC2)n1,KDDRLMJWISIDMY-UHFFFAOYSA-N
-rxn:4:190235:222632,CCC(=O)C1CCCN(c2c(F)cccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C1=O,XSSGJUOTTBMVQK-UHFFFAOYSA-N
-rxn:4:190237:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(C(=S)N5CCOCC5)o4)cc3)c(F)cc2C)CC1,WNKOSGGFEAXXLQ-UHFFFAOYSA-N
-rxn:4:190298:222632,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)SC1=S,CUJAZLSIXLDKLB-UHFFFAOYSA-N
-rxn:4:190354:223167,Cc1cc(-c2ccnc(N3CCNCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,WSJOONUVPIUYHD-UHFFFAOYSA-N
-rxn:4:190354:226371,Cc1cc(-c2cnc(N3CCCC3)cc2C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,NDJTYVOLJFQNCA-UHFFFAOYSA-N
-rxn:4:190357:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCC2(CC1)CC2,GFILJSFKDLZTSX-UHFFFAOYSA-N
-rxn:4:190368:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN(C)C4CCOCC4)c(C)c3)c(F)cc2C)CC1,TVBVNUXKCLXEQJ-UHFFFAOYSA-N
-rxn:4:190375:223998,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,OUPYJVRTKDJLJP-UHFFFAOYSA-N
-rxn:4:190414:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4=CCN(Cc5ccccc5)CC4)cc3)c(F)cc2C)CC1,MXEMHFHMYWSHQJ-UHFFFAOYSA-N
-rxn:4:190447:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1N1CCCC(C(=O)C(C)C)C1=O,LLWGIEXNGGNJMB-UHFFFAOYSA-N
-rxn:4:190469:223279,O=C1C(=Cc2ccc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)o2)SC(=S)N1C1CCS(=O)(=O)C1,PCQPKTNONLVYSY-UHFFFAOYSA-N
-rxn:4:190469:223960,CCN1CCN(C(=O)c2cc(-c3cccc(-c4ccc(C=C5SC(=S)N(C6CCS(=O)(=O)C6)C5=O)o4)c3)ccc2F)CC1,OMDHBFGWZFVPEA-UHFFFAOYSA-N
-rxn:4:190469:226844,O=C1C(=Cc2ccc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)o2)SC(=S)N1C1CCS(=O)(=O)C1,VRXXUFMNJWYCOR-UHFFFAOYSA-N
-rxn:4:190827:222782,Cc1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)cnc1NC(=O)OC(C)(C)C,HZDSOZRQIZRSTD-UHFFFAOYSA-N
-rxn:4:190937:223895,CCN1CCN(CCOc2ccc(-c3nc4c(s3)C(=O)CC(c3ccc(OC)c(OC)c3)C4)cc2)CC1,GRVIBUSIPDZPNG-UHFFFAOYSA-N
-rxn:4:190977:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)c1,YZXNUKWIAKAOIJ-UHFFFAOYSA-N
-rxn:4:191007:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)cc1,CYVJFVSXOWQGOR-UHFFFAOYSA-N
-rxn:4:191031:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2,MQNYHBSFAWGUOM-UHFFFAOYSA-N
-rxn:4:191053:223895,CCN1CCN(CCOc2ccc(-c3cc(C4SCCN4C(=O)c4cc(=O)c5ccccc5o4)ccc3F)cc2)CC1,LFRJZMHQVYFYHI-UHFFFAOYSA-N
-rxn:4:191058:223064,COC(=O)C1CCN(C2CCc3cc(-c4ccc(C5CCNCC5)nc4F)ccc32)CC1,MZISFXVIATYPQG-UHFFFAOYSA-N
-rxn:4:191058:226424,COC(=O)C1CCN(C2CCc3cc(-c4cc(N5CCCC(C)C5)cs4)ccc32)CC1,TYVCSLMRMTYJBK-UHFFFAOYSA-N
-rxn:4:191072:226844,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccnc(C(=O)C(F)(F)F)c3)sc12,DNXISSYIZCTTNW-UHFFFAOYSA-N
-rxn:4:191087:224969,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1C(=O)OC(C)(C)C,DGTWPTYZXYBGOX-UHFFFAOYSA-N
-rxn:4:191088:223072,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,KPTXWTYPKDRVAB-UHFFFAOYSA-N
-rxn:4:191091:225574,COC(=O)c1cc(C2CC2)ccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,ZEMLLECEODYFQZ-UHFFFAOYSA-N
-rxn:4:191103:226526,COC(=O)c1ccc(OC)c(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,DFGNQSFKEMJSFS-UHFFFAOYSA-N
-rxn:4:191103:227240,CC(=O)OCc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,BKVNNDCBRWZZHO-UHFFFAOYSA-N
-rxn:4:191105:226056,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4c5c(cc6c4CCC6)CCC5)c32)CC1,BZKKCWFFDRMOIJ-UHFFFAOYSA-N
-rxn:4:191105:226427,CC1CCN(c2csc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,BIFNKYSTMBROHT-UHFFFAOYSA-N
-rxn:4:191111:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,JQTCKTRWZANXKO-UHFFFAOYSA-N
-rxn:4:191116:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc12,JZCQLJGQFRIMJC-UHFFFAOYSA-N
-rxn:4:191118:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,ZTYBZEMMDKWXSF-UHFFFAOYSA-N
-rxn:4:191123:227071,COCc1cc(C)c(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GKEXJHNWEIMQQB-UHFFFAOYSA-N
-rxn:4:191124:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,GOHGSRRWTUYXQK-UHFFFAOYSA-N
-rxn:4:191124:227593,COc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Cl,MQWWYPOMYDURFG-UHFFFAOYSA-N
-rxn:4:191130:223279,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)CC1,PTWDUQDLNBZZFU-UHFFFAOYSA-N
-rxn:4:191134:223753,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1,GDDQPCLPHPAIAI-UHFFFAOYSA-N
-rxn:4:191204:223279,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc12,XDDRGEWTSNHUFE-UHFFFAOYSA-N
-rxn:4:192605:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCSC4=S)c3)c(F)cc2C)CC1,JZUYHUUBSAGTTJ-UHFFFAOYSA-N
-rxn:4:192624:223755,CC1CCN(CCCOc2ccc(-c3cc(C(C)(F)F)cc(S(N)(=O)=O)c3)cc2F)CC1,BQFRJDLLXSIPAR-UHFFFAOYSA-N
-rxn:4:192772:223895,CCN1CCN(CCOc2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2)CC1,JMBDWDZOKBZXOO-UHFFFAOYSA-N
-rxn:4:192970:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCSC4)ccc3C(F)(F)F)c3ccccc23)CC1,NDROAUWTZZWFQY-UHFFFAOYSA-N
-rxn:4:193350:223835,Cc1cc(F)c(-c2ccc(OC3CCN(C)C3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,CLRFISTZHSRLIU-UHFFFAOYSA-N
-rxn:4:193419:223753,Cc1ccc(-c2cc(C(C)C)c(S(N)(=O)=O)cc2C)cc1OCCCN1CCN(C)CC1,RHALZLUVANXNLB-UHFFFAOYSA-N
-rxn:4:193455:223712,COc1ccc(-c2cnc(OC)c(C3CCCOC3)c2)cc1C12CC3CC(CC(C3)C1)C2,ZKKYCASQMLRDEO-UHFFFAOYSA-N
-rxn:4:193467:223712,COc1ccc(-c2ccc(Cl)cc2C(=O)N2CCC[C@@H]2C)cc1C12CC3CC(CC(C3)C1)C2,CGPDRTFTNACTCZ-PGGMPKIUSA-N
-rxn:4:193560:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,XCIBYKVFHVZVJU-UHFFFAOYSA-N
-rxn:4:193681:222537,CN1CCC(Oc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)ccc2Cl)CC1,UXKLAXVLHZMHBW-UHFFFAOYSA-N
-rxn:4:193758:223897,Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1OCCCN1CCOCC1,GYJNADLNIBAMAJ-UHFFFAOYSA-N
-rxn:4:193802:223694,CCc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)cc(N2CCCCC2)c1,LVIHFVBQTHZQQU-UHFFFAOYSA-N
-rxn:4:193845:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)cc3)c(F)cc2C)CC1,FZRIXPOBRIBYNF-UHFFFAOYSA-N
-rxn:4:193867:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)CC1,HXFFTTAGFXWUHL-UHFFFAOYSA-N
-rxn:4:193941:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c(F)cc2C)CC1,IZHFXKLPNNLIQT-UHFFFAOYSA-N
-rxn:4:193942:222466,Cc1ccc(CN2CCC(C)CC2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,MWRDHMHKUSXZBZ-UHFFFAOYSA-N
-rxn:4:193992:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3C)cc2)CC1,XMAFHUDPTWPGTA-UHFFFAOYSA-N
-rxn:4:193996:224189,COc1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCCC(C)C2)ccc1O[Si](C)(C)C(C)(C)C,OXKJMPICYAXZGT-UHFFFAOYSA-N
-rxn:4:194531:223896,COc1cccc(-c2ccc3c(c2)CCN3S(=O)(=O)C(C)C)c1C(=O)N(C(C)C)C(C)C,KADHRBRRCGUCEW-UHFFFAOYSA-N
-rxn:4:194684:223753,CSc1ccc(N2Cc3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc3OCC2=O)cc1,RPLNZTUZRAREAY-UHFFFAOYSA-N
-rxn:4:194711:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)CCC2N1CCCC(C(F)(F)F)C1,FNYLIPXJUHYSLS-UHFFFAOYSA-N
-rxn:4:194761:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4c5ccccc5CC4C)c(C)cc3C)cc2)CC1,CGQXVBIZYAMOEK-UHFFFAOYSA-N
-rxn:4:194768:224290,COC1CCN(C2CCCc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)ccc32)CC1,GJZIFSGDVBYJNT-UHFFFAOYSA-N
-rxn:4:194768:224498,CCN1CCN(Cc2ccccc2-c2ccc3c(c2)CCCC3N2CCC(OC)CC2)CC1,HGUKDHSGTXTOJL-UHFFFAOYSA-N
-rxn:4:194768:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc2c(c1)CCCC2N1CCC(OC)CC1,RMVWNMDEPTXVAO-UHFFFAOYSA-N
-rxn:4:194770:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4c5ccccc5C(C)=CC4(C)C)cc3)cc2)CC1,OPECMUGTAGRJDI-UHFFFAOYSA-N
-rxn:4:194783:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4c5ccc(C)cc5C(C)=CC4(C)C)cc3)cc2)CC1,OQWXTHVURIZWTD-UHFFFAOYSA-N
-rxn:4:194783:224612,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2ccc(C)cc21,OMIFQBMBZXQBSX-UHFFFAOYSA-N
-rxn:4:194795:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(F)c1,VCLOMXOUFSJTDZ-UHFFFAOYSA-N
-rxn:4:194810:223753,COC(=O)C1=C2CCCN2c2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)ccc2S1(=O)=O,PTTQPDHMLCTDAC-UHFFFAOYSA-N
-rxn:4:194855:223753,Cc1ccc(S(=O)(=O)C2C(=O)N(C)C3(C)CC2c2cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc2O3)cc1,WNERESXMNXAQEI-UHFFFAOYSA-N
-rxn:4:196041:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(F)cc3C3=NOC(=O)C3)cc2C)CC1,FFVIRCCNGMGFPM-UHFFFAOYSA-N
-rxn:4:197944:223712,COc1ccc(-c2cccc3c2CCC3N2CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,ALVIRXFHQMJALI-UHFFFAOYSA-N
-rxn:4:197989:224634,COc1ccc(-c2ccc3c(c2)CCCC3N2CCCCC2C)cc1CN1CCOCC1,ZZEXBDJRGZKSFE-UHFFFAOYSA-N
-rxn:4:199337:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C=CC3(O4)N(C)c4ccccc4C3(C)C)cc2)CC1,ZZYMBAQOEXGGNM-UHFFFAOYSA-N
-rxn:4:199597:223279,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,FHUMNWQCPLSAQH-UHFFFAOYSA-N
-rxn:4:199602:223755,CC1CCN(CCCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)Cc4ccccc4)cc3)cc2F)CC1,GQDAMLDWPJBCFM-UHFFFAOYSA-N
-rxn:4:199608:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OC4CCN(C(=O)COc5ccc(F)cc5)C4)nc3)c(F)cn2)CC1,QECQSCKJDUETHB-UHFFFAOYSA-N
-rxn:4:199621:226844,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UHNCFFYEZIYULM-UHFFFAOYSA-N
-rxn:4:199622:223529,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,BKEUPNMXBIWJAQ-UHFFFAOYSA-N
-rxn:4:199622:226649,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCOCC3)cc2)CC1,UIMRNJNCNTXHCV-UHFFFAOYSA-N
-rxn:4:199625:226844,CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)C1,NMVRPCDDDTVXFY-QGZVFWFLSA-N
-rxn:4:199650:225218,Cc1cc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,SLTGJBIBBQAHPZ-UHFFFAOYSA-N
-rxn:4:199669:226719,CCOC(=O)c1cnc(Cl)c(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)c1,RJYVBILJIDRLBP-UHFFFAOYSA-N
-rxn:4:199760:223895,CCN1CCN(CCOc2ccc(-c3ccccc3N3CCN(C(=O)OCC[Si](C)(C)C)CC3)cc2)CC1,MGGGKOKQCMIHMO-UHFFFAOYSA-N
-rxn:4:199773:224847,CCC(=O)N1N=C(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)CC1c1ccc(OC)cc1OC,UVSKROZFCDDYFP-UHFFFAOYSA-N
-rxn:4:199825:226907,CN(Cc1ccc(-c2cccc3c2CCC32CC2)cc1N1CCCCC1)C(=O)OC(C)(C)C,OLCFTMCOQZQXII-UHFFFAOYSA-N
-rxn:4:199827:225723,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,DMMUMBJSTYCVQL-UHFFFAOYSA-N
-rxn:4:199835:224612,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(OCCN3CCOCC3)cc2)c1,QCAQMGOOEWAYNX-UHFFFAOYSA-N
-rxn:4:199840:225723,CN(C)CCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1Cl,XLZFTFZTHQRAOC-UHFFFAOYSA-N
-rxn:4:199842:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1,ZMRLLZKPXFXFKQ-UHFFFAOYSA-N
-rxn:4:199866:225723,CN(C)CCOc1ccc(-c2ccc(-c3ccc(C=C(C(=O)N4CCOCC4)C(=O)N4CCOCC4)o3)cc2)cc1Cl,ZCYNACIKOGCAOI-UHFFFAOYSA-N
-rxn:4:199882:223495,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc(C(C)(C)C)c1,KVTBSDKWNBYODJ-JSOSNVBQSA-N
-rxn:4:199944:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N(C(=O)c4ccc([N+](=O)[O-])cc4)c4ccc5oc(=O)sc5c4)cc3)c2)CC1,FWUFCLZXYOAUMZ-UHFFFAOYSA-N
-rxn:4:200003:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)COc2ccc3ccccc3c2)CC1,XDAJKQVUIAWKFA-UHFFFAOYSA-N
-rxn:4:200013:223609,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)ccc3OC)N2C1=O,IKWQOOKCKAEDGE-UHFFFAOYSA-N
-rxn:4:200016:226844,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O)N1CCCC1,LWNKMDYZWQJMMK-UHFFFAOYSA-N
-rxn:4:200042:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)CCCN3C(=O)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)c1,YFMSMXMMHTZJSE-UHFFFAOYSA-N
-rxn:4:200055:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccccc1-c1cnc(C2CCCN2)nc1,RXPNTEXCELJPHU-UHFFFAOYSA-N
-rxn:4:200056:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,BXGHUAIDEQFLOC-UHFFFAOYSA-N
-rxn:4:200056:225723,CN(C)CCOc1ccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)cc1Cl,PMAYLQDJBJLUOO-UHFFFAOYSA-N
-rxn:4:200056:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QEDDKRNQWCYJQH-UHFFFAOYSA-N
-rxn:4:200090:223895,CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1-c1ccc(OCCN2CCN(CC)CC2)cc1,HTFHEYBTUWLSSB-UHFFFAOYSA-N
-rxn:4:200286:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(C=Cc4ccc([N+](=O)[O-])cc4C#N)c3)cc2)CC1,ZUBDRAUSKXJNPL-UHFFFAOYSA-N
-rxn:4:200309:225313,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(N3CCN(C)CC3)nc2F)cc1,ZADAOYUXMPUAFT-UHFFFAOYSA-N
-rxn:4:200318:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccccc3F)o2)c1,GUYSXNKRIQINIU-UHFFFAOYSA-N
-rxn:4:200355:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cc(C(=O)OC)n(CCC2CCCCC2)n1,ZLXQYFDIVSMJOH-UHFFFAOYSA-N
-rxn:4:200366:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C#N)c1,GTUBGRQJCOLGKR-UHFFFAOYSA-N
-rxn:4:200373:223755,CCOC(=O)c1sc(=NC(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)n(C)c1C,SFBCBXLSHFHIMS-UHFFFAOYSA-N
-rxn:4:200441:223869,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(OCC)c(OCc2ccccc2)c1,LTMUSEAYIBQFPB-UHFFFAOYSA-N
-rxn:4:200459:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)CN4C(=O)C(=O)N(Cc5cccc(Cl)c5)C4=O)cc3)c(F)c2)CC1,DFSOVQLTFGVQMB-UHFFFAOYSA-N
-rxn:4:200473:223072,CCCNS(=O)(=O)c1ccc(-c2cccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,RWMWLNQVWUAMKG-GOSISDBHSA-N
-rxn:4:200500:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCN(C(=O)Cc5ccc(F)cc5)C4)nc3)cc2)CC1,CLHAIOOBHPHHRM-UHFFFAOYSA-N
-rxn:4:200515:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CSC4=NCCN4C(=O)C4CCCC4)cc3)c2)CC1,UAQHJBZYPLBQRE-UHFFFAOYSA-N
-rxn:4:200521:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4ccccc4C)cc3)cc2)CC1,IMHUBSQVPGWUNU-UHFFFAOYSA-N
-rxn:4:200567:226844,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)c2)CC1,DIUFEPIGJNUGTM-UHFFFAOYSA-N
-rxn:4:200574:226844,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,NRQXGHBHCHDEAS-UHFFFAOYSA-N
-rxn:4:200578:224198,CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(CN2CCN(CC)CC2)cc1F,GIRBXXLYFOIWTL-UHFFFAOYSA-N
-rxn:4:200580:222632,CC(SC1=NCCN1S(=O)(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1)c1ccccc1,BESLPONSPBTZLB-UHFFFAOYSA-N
-rxn:4:200586:224196,CCN1CCN(Cc2cc(F)cc(-c3cnccc3OC3CCN(S(=O)(=O)c4cccc(OC)c4)C3)c2)CC1,FYEGMDZDWFQBDQ-UHFFFAOYSA-N
-rxn:4:200589:224254,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)C2)cc1F,LDNBIKOURSYIRY-UHFFFAOYSA-N
-rxn:4:200594:225312,CN1CCCN(c2ncc(-c3ccc(CCN4CCN(CC5CC5)CC4)cc3)cn2)CC1,ZZFDPKSVGOOWPS-UHFFFAOYSA-N
-rxn:4:200599:224196,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(F)cc(CN2CCN(CC)CC2)c1,JWCPUFSTXNOSSC-UHFFFAOYSA-N
-rxn:4:200603:226844,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,FGDHWEAHYZGJHY-UHFFFAOYSA-N
-rxn:4:200631:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C=C3SC(=S)N(CCC(=O)N4CCOCC4)C3=O)c2)c1,UALQWSYHFSLQRN-UHFFFAOYSA-N
-rxn:4:200643:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F,KWNACUOCKXEYMI-UHFFFAOYSA-N
-rxn:4:200645:224198,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C4CCCCC4)cc3)c(F)c2)CC1,MVJCCQUYRRKCLN-UHFFFAOYSA-N
-rxn:4:200658:222632,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2Cl)CC1,JVWDSULOVRKEJU-UHFFFAOYSA-N
-rxn:4:200663:222632,CCC(=O)N1N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)CC1c1ccc(OC)cc1,GAQMACPLPSXZAQ-UHFFFAOYSA-N
-rxn:4:200666:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N(C(=O)N4CCCCC4)c4ccccc4)c3)c2)CC1,HINMARKXHSSKCZ-UHFFFAOYSA-N
-rxn:4:200691:222632,CC(C)CN(c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1[N+](=O)[O-])C1CCCCC1,NFHKBESAFBNICR-UHFFFAOYSA-N
-rxn:4:200700:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,SBEWCLUHIBDCDU-UHFFFAOYSA-N
-rxn:4:200705:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(F)c2)CC1,VGKYOFVIMYPNLI-UHFFFAOYSA-N
-rxn:4:200719:223239,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cncc(C4CCCN4)c3)c(C)cc2C)CC1,NBKJMLNGWDLEGV-UHFFFAOYSA-N
-rxn:4:200726:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,DSXJSATZHKLBCJ-UHFFFAOYSA-N
-rxn:4:200755:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,HWZNTSWQZFMQNK-UHFFFAOYSA-N
-rxn:4:200758:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCN(C(C)C)CC1,SVMUTUMHXURSCF-UHFFFAOYSA-N
-rxn:4:200760:226844,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,NHIUYBBXDXFGNO-UHFFFAOYSA-N
-rxn:4:200775:222632,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)SC2=S)cc1,KMTMXGHORYLBPP-UHFFFAOYSA-N
-rxn:4:200775:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C=C4SC(=S)N(c5ccc(N(CC)CC)cc5)C4=O)cc3)c2)CC1,ZBFVYYYTUGNFNG-UHFFFAOYSA-N
-rxn:4:200775:225723,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)SC2=S)cc1,STDLEWUSXZKIDT-UHFFFAOYSA-N
-rxn:4:200780:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1,NWECWDOQVYVIIX-UHFFFAOYSA-N
-rxn:4:200781:226844,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JPKOTALSCFSGKH-UHFFFAOYSA-N
-rxn:4:200818:222632,C[C@H]1CN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,AQOTXDGDFSCNAY-QFIPXVFZSA-N
-rxn:4:200821:223239,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cncc(C4CCCN4)c3)cc2)CC1,MKTIDUBELXPYJQ-UHFFFAOYSA-N
-rxn:4:200821:226844,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,RNKGHYIXALBIJN-UHFFFAOYSA-N
-rxn:4:200828:223901,CC1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)c(F)cc3F)cc2Cl)CC1,UZASXQSQDZVEKS-UHFFFAOYSA-N
-rxn:4:200839:223279,COc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,ILVHMHWWFVNOAT-UHFFFAOYSA-N
-rxn:4:200845:226655,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCCC3)cc(C3CC3)c2)CC1,ZIIXBOXRBYVLSP-UHFFFAOYSA-N
-rxn:4:200846:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C4CC4)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,WNGWDXXOBMPJLO-UHFFFAOYSA-N
-rxn:4:200848:223239,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)c(-c3cncc(C4CCCN4)c3)c2)CC1,HAXQAZGUHYULFP-UHFFFAOYSA-N
-rxn:4:200852:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4CC(c5ccc(OC)cc5)=NN4S(=O)(=O)c4ccccc4)cc3)c2)CC1,GOKWHYVRWHXWJP-UHFFFAOYSA-N
-rxn:4:200854:226844,COC(=O)C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)C1,YHTXDKMVEBBEIB-UHFFFAOYSA-N
-rxn:4:200866:223035,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cccnc2NC(=O)C(C)(C)C)c1,BGEILSAPGFYYNJ-UHFFFAOYSA-N
-rxn:4:200871:227991,Cc1cc(-c2ccc(Cl)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MGLAJOCVKHFLMN-UHFFFAOYSA-N
-rxn:4:200880:222632,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)CC1,LAJXRZKWUYBUTD-UHFFFAOYSA-N
-rxn:4:200884:222632,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc1)C2,BFQBLDUTVMPGSV-UHFFFAOYSA-N
-rxn:4:200887:224612,COc1ccccc1C1CC(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,JDPRHQQCRPMELI-UHFFFAOYSA-N
-rxn:4:200888:223568,COc1ccc(C2CC(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,RQYWRIQDQIXWDK-UHFFFAOYSA-N
-rxn:4:200895:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCCC1CCN1CCCCCC1,YJGWNQPHTIGDIZ-UHFFFAOYSA-N
-rxn:4:200903:223279,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,HHIBQNSWXNEYLE-UHFFFAOYSA-N
-rxn:4:200906:222632,Cc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1-c1cccc(C(=O)NCCN2CCCC2)c1,NFCBCWZLERHKCB-UHFFFAOYSA-N
-rxn:4:200982:224198,CCSc1ccc(C(=O)N2CCc3cc(-c4ccc(CN5CCN(CC)CC5)cc4F)ccc32)cc1[N+](=O)[O-],UHPDGKUISZWYJM-UHFFFAOYSA-N
-rxn:4:201022:223557,CCn1c(=NC(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc2cc(C(=O)OC)ccc21,YMPBUTHZFQHUSZ-UHFFFAOYSA-N
-rxn:4:201034:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)N(c3ccccc3)C(C)C)c(F)c2)CC1,PCKQAKZQMGTCEU-UHFFFAOYSA-N
-rxn:4:201069:223279,COc1c([N+](=O)[O-])cc(-c2cnc(C3CCCN3)nc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,DVPPLYVQFKGTMR-UHFFFAOYSA-N
-rxn:4:201081:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FVXJBLCIAFYTSL-UHFFFAOYSA-N
-rxn:4:201101:223285,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccccc3NS(C)(=O)=O)cc2)N2C(=O)C(C)SC2=N1,DDIMCFLHTIRMKZ-UHFFFAOYSA-N
-rxn:4:201108:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2CC3CCCC3C2)C1,HEIDZMPKDFEKHH-UHFFFAOYSA-N
-rxn:4:201121:226844,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)N2C(=O)CCSC2=N1,UIRITDHPXMGIBS-UHFFFAOYSA-N
-rxn:4:201124:226154,COc1cc(C(C)(C)C)ccc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,LRMXQANZTGYAGA-UHFFFAOYSA-N
-rxn:4:201124:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,JQKFLEGYBVZJNA-UHFFFAOYSA-N
-rxn:4:201137:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(OC)c(OC)c4)cc3)c(F)c2)CC1,ARJOSQDCHHUOMM-UHFFFAOYSA-N
-rxn:4:201141:222632,COc1ccc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)c3ccccc3S2(=O)=O)cc1OC,TTYUOBUNCRSQSK-UHFFFAOYSA-N
-rxn:4:201144:226844,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,ICUSXDLRKDXXKK-UHFFFAOYSA-N
-rxn:4:201152:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3oc(=O)c(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3c2)c1,RXDASVUOPDRYDK-UHFFFAOYSA-N
-rxn:4:201153:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5o4)c4ccccc43)cc2)c(C(F)(F)F)c1,GLWDTNSPYZPRDG-UHFFFAOYSA-N
-rxn:4:201171:222565,O=C(NCc1ccccc1Cl)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,VQCCQAYNHONWOV-UHFFFAOYSA-N
-rxn:4:201171:222566,O=C(NCc1ccccc1F)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,FDYIJKGDTCAWPP-UHFFFAOYSA-N
-rxn:4:201175:222632,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4c3=O)C(=O)N2c2nc(C)cs2)c1,DBKVAVHQMIFGEZ-UHFFFAOYSA-N
-rxn:4:201187:222632,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,AVXPYWOWCGEWRP-UHFFFAOYSA-N
-rxn:4:201188:223239,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cncc(C3CCCN3)c2)c1,NULXDKGAVUBITM-UHFFFAOYSA-N
-rxn:4:201190:223239,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cncc(C4CCCN4)c2)c1)N(CCCN1CCOCC1)C3=O,FYYDWRLLAYRHJB-UHFFFAOYSA-N
-rxn:4:201378:226844,CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1C,IPHUMCWUUSMVKK-UHFFFAOYSA-N
-rxn:4:201576:223755,CC1CCN(CCCOc2ccc(-c3cccc(S(=N)(=O)CC(=O)N4CCC4)c3)cc2F)CC1,LXOKMCXLXSSATJ-UHFFFAOYSA-N
-rxn:4:201644:224612,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(OCCN4CCOCC4)cc3)no2)C1,FQLCYSYRRIQLTM-UHFFFAOYSA-N
-rxn:4:201645:222812,CC(C)(C)OC(=O)Nc1cc(-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)cnc1Cl,RAVSZKOYTMVXIT-UHFFFAOYSA-N
-rxn:4:201702:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5ccncc5)C4)o3)cc2F)CC1,ZKLQSJPVFIKELK-UHFFFAOYSA-N
-rxn:4:201759:226045,O=C(Cc1cncc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1)N1CCC(C(F)(F)F)CC1,KGLPTJZAMFIQKD-UHFFFAOYSA-N
-rxn:4:201765:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1,QWCJKABWNTXHQS-UHFFFAOYSA-N
-rxn:4:201788:223540,CCN(Cc1ccccc1)c1ncc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1C,NCLRVITVUCJQKE-UHFFFAOYSA-N
-rxn:4:201834:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2csc(C3=CCN(C(=O)OC(C)(C)C)CC3)n2)c1,SKMNKGOEOCKMGX-UHFFFAOYSA-N
-rxn:4:201858:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(CN2C(=O)CCC2=O)C1,QFSUGQUXHPYKAL-UHFFFAOYSA-N
-rxn:4:201907:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,QCOIDKLBDVJLSJ-UHFFFAOYSA-N
-rxn:4:201908:225827,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CC(CN5C(=O)CCC5=O)C4)cc3)ccn2)CC1,NUSOBKLYYZVIJZ-UHFFFAOYSA-N
-rxn:4:201916:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCSC4c4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,OXZXWEMEVNNIOL-UHFFFAOYSA-N
-rxn:4:201931:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)s2)cc1,GMRBLPPCYUOAEE-UHFFFAOYSA-N
-rxn:4:201940:222645,CCN1CCN(C(=O)c2ccc(-c3cccc(OCCN4CCC(O)CC4)c3)cc2OC)CC1,LIHDIIIKUZDDGW-UHFFFAOYSA-N
-rxn:4:201966:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)n4ccnc4C(C)C)c(OC)cc3C)cc2)CC1,MBQVHBWNSRAKHJ-UHFFFAOYSA-N
-rxn:4:201977:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN=C4c4ccccc4)c3)cc2)CC1,GQNWGGILRWWSKU-UHFFFAOYSA-N
-rxn:4:201987:224589,CCN1CCN(Cc2cccc(-c3ccc(F)cc3CN3CCC(C)CC3)c2OC)CC1,NTBDDPTXWPZKIM-UHFFFAOYSA-N
-rxn:4:201999:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3COCCN3C(=O)OC(C)(C)C)n2)c1,VNPINCPEXHXMGI-UHFFFAOYSA-N
-rxn:4:202021:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cncc(C3COCCN3C(=O)OC(C)(C)C)c2)cc1,UKPARQWUZMJMPJ-UHFFFAOYSA-N
-rxn:4:202022:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,IYWUCFCOUGKWOC-UHFFFAOYSA-N
-rxn:4:202092:223753,Cc1ccc(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc1OCCCN1CCN(C)CC1,LPRSBLCHEFCPEC-UHFFFAOYSA-N
-rxn:4:202098:224078,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)nc2)CC1,PJSTZOLLHRZGAF-UHFFFAOYSA-N
-rxn:4:202104:223000,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(C4CCCNC4)c(F)c3)ccn2)CC1,YTXLVSMOERLWRI-UHFFFAOYSA-N
-rxn:4:202121:223079,CC(C)NS(=O)(=O)c1cccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FVWQJPWAZISMCY-UHFFFAOYSA-N
-rxn:4:202152:224612,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,JSJIRCABHVWTIX-UHFFFAOYSA-N
-rxn:4:202154:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCN=C4c4ccccc4)c(OC)cc3C)cc2)CC1,UQIXFUFLMPVYMK-UHFFFAOYSA-N
-rxn:4:202199:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,VFGYQNOKNIQBLL-UHFFFAOYSA-N
-rxn:4:202202:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,DUOSZPPPIQJXQC-UHFFFAOYSA-N
-rxn:4:202207:222632,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)CC1,NFGFLZJACCNKAY-UHFFFAOYSA-N
-rxn:4:202227:223938,Cc1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,WHYZZISNBRVDLV-UHFFFAOYSA-N
-rxn:4:202235:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NLVZGBLCNOXYGX-UHFFFAOYSA-N
-rxn:4:202249:222632,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3F)c2)CC1,IUGNFIIIJVQTDB-UHFFFAOYSA-N
-rxn:4:202257:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccccc5)oc4N4CCOCC4)cc3)cc2F)CC1,RKAZYPKDYFBMCD-UHFFFAOYSA-N
-rxn:4:202259:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5ccccc5Cl)C4)cc3)cc2)CC1,FANCSPQLGUPZEP-UHFFFAOYSA-N
-rxn:4:202261:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)cc2)CC1,XPGRCEKXKMYHAO-UHFFFAOYSA-N
-rxn:4:202261:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,KFBDPKMFONMESM-UHFFFAOYSA-N
-rxn:4:202278:222630,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,MAKKCQWYKRIZGJ-UHFFFAOYSA-N
-rxn:4:202305:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccco5)oc4N4CCC(C)CC4)cc3)cc2F)CC1,NRBUBKFEPSIEPE-UHFFFAOYSA-N
-rxn:4:202310:227969,Cc1nccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1C1CC1,GNKAJUZDEXUSOE-UHFFFAOYSA-N
-rxn:4:202318:223489,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)oc2N2CCOCC2)cc1,LNWKRZIJMWSEOF-UHFFFAOYSA-N
-rxn:4:202324:222632,Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1cccc(C(=O)NCCN2CCCC2)c1,YWZYMQAUZURXLZ-UHFFFAOYSA-N
-rxn:4:202327:222632,CN(Cc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1N1CCOCC1)C1CCCCC1,YCSKQYUEMQUVER-UHFFFAOYSA-N
-rxn:4:202333:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3OC)ccc2F)CC1,LGEPLQAWXKSCCQ-UHFFFAOYSA-N
-rxn:4:202334:225723,COc1cc(-c2ccc(OCCN(C)C)c(Cl)c2)ccc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,WIKQDGNHVLPGBO-UHFFFAOYSA-N
-rxn:4:202335:223755,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)=NC23CCCCC3)cc1,HEPLNYBIYFRICN-UHFFFAOYSA-N
-rxn:4:202335:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc1,AEASYSLNELZKJN-UHFFFAOYSA-N
-rxn:4:202338:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccccc4)cc3)cc2)CC1,WLOHMVYDGOPNCG-UHFFFAOYSA-N
-rxn:4:202344:226844,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QSDLFOZAQHKCDH-UHFFFAOYSA-N
-rxn:4:202359:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CCCC#N)cc2)CC1,UBUSLOGQJAPFTM-UHFFFAOYSA-N
-rxn:4:202469:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3C#N)cc1F,XHMQOFWUVAMOPS-UHFFFAOYSA-N
-rxn:4:202541:223755,CCn1c(=NC(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)s2)sc2c(C)ccc(OC)c21,XCKZMEVEUAQPSQ-UHFFFAOYSA-N
-rxn:4:202602:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)N2C1=O,RSJIJPSIBKAOSG-UHFFFAOYSA-N
-rxn:4:202626:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5nc6c(C)cccc6s5)CC4)o3)cc2)CC1,FVTPKOBNJGEBFM-UHFFFAOYSA-N
-rxn:4:202641:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)N(c3ccc(N(C)C)cc3)C=C(C(=O)OC)S4(=O)=O)c2)CC1,LQBKNUXSAWFEDG-UHFFFAOYSA-N
-rxn:4:202655:222758,Cc1cc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1NC(=O)OC(C)(C)C,WKALHINDRSZDQS-UHFFFAOYSA-N
-rxn:4:202665:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(CN3CC4C(=O)N(Cc5ccccc5)C(=O)C4C3)c2)c1,ZSMBQOHEEFQYLX-UHFFFAOYSA-N
-rxn:4:202683:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,JJPVATQGPGDGMO-UHFFFAOYSA-N
-rxn:4:202684:223279,CC(C)(C)OC(=O)N1CC(N2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2)C1,VJRHXOYZNZQJGY-UHFFFAOYSA-N
-rxn:4:202686:226844,CCOC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OCC2=O)CC1,NXUDMHLLKVCCCI-UHFFFAOYSA-N
-rxn:4:202692:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,GOOUSAMMFZSBSP-UHFFFAOYSA-N
-rxn:4:202694:223239,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cncc(C4CCCN4)c3)ccc21,ULUXSNAGUCWMHE-UHFFFAOYSA-N
-rxn:4:202696:222632,COc1cccc(N2C(=NC(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)SC3CS(=O)(=O)CC32)c1,GUVSOSNGIFLSHL-UHFFFAOYSA-N
-rxn:4:202696:225723,COc1cccc(N2C(=NC(=O)c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)SC3CS(=O)(=O)CC32)c1,HWRFBJWRBPFJFM-UHFFFAOYSA-N
-rxn:4:202697:224612,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,SCEVIGNCQDXBEW-UHFFFAOYSA-N
-rxn:4:202700:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(N4C(=O)CCC4=O)C5)cc3)cc2)CC1,WIFSOAVGGRPNKF-UHFFFAOYSA-N
-rxn:4:202724:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCCC5)cnc5ccc(F)cc45)cc3)cc2)CC1,VFLTYWUZVKPLEF-UHFFFAOYSA-N
-rxn:4:202724:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCCC5)cnc5ccc(F)cc45)cc3)c2)CC1,JKKGWEMCVLFYHJ-UHFFFAOYSA-N
-rxn:4:202733:224198,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCN(CC)CC5)cc4F)cc3F)C3CS(=O)(=O)CC32)cc1,ALIDLFZIDMMOKJ-UHFFFAOYSA-N
-rxn:4:202754:226844,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,OIGHRECMDJOTLL-UHFFFAOYSA-N
-rxn:4:202757:223753,Cc1ccc(-c2cccc(CN3C(=O)N(c4ccc(C(C)C)cc4)S(=O)(=O)c4ccccc43)c2)cc1OCCCN1CCN(C)CC1,WOGRFOVCNDFPAG-UHFFFAOYSA-N
-rxn:4:202778:224275,CCn1c2c(c3cc(-c4nn(C(=O)OC(C)(C)C)c5ccccc45)ccc31)CN(C(=O)OC(C)(C)C)CC2,NFPAORXBVOAQQT-UHFFFAOYSA-N
-rxn:4:202784:223960,CCN1CCN(C(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(=O)OC)cc3)N(c3nc(C)cs3)C5=O)ccc2F)CC1,QIWXGQUKSCTBIC-UHFFFAOYSA-N
-rxn:4:202795:223895,CCN1CCN(CCOc2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3cccc(OC)c3OC)N(c3cc(C)on3)C5=O)cc2)CC1,CIWOAIOLOCFMRI-UHFFFAOYSA-N
-rxn:4:202807:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,GEQSXRQFGFWUGM-UHFFFAOYSA-N
-rxn:4:202807:222632,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,XWZNWBIRTRNGAK-UHFFFAOYSA-N
-rxn:4:202807:223279,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C3CCCN3)nc2)cc1,RYZHYPATIYOXHN-UHFFFAOYSA-N
-rxn:4:202807:224198,CCN1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c(F)c2)CC1,JLVWBEKARCHVSC-UHFFFAOYSA-N
-rxn:4:202812:222810,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc(NC(=O)OC(C)(C)C)ncc4Cl)ccc2OC3c2ccccc2)cc1,CRIDVAPUFJFHFQ-UHFFFAOYSA-N
-rxn:4:203184:223755,CSC1=NCCN1C(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)o1,NQMCTCQDFCBOLM-UHFFFAOYSA-N
-rxn:4:203702:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)c(Cl)c1,AYMMOLNBLSRCMS-UHFFFAOYSA-N
-rxn:4:203702:225182,O=C(c1ncc(-c2ccnc(OC3CCCCC3)c2Cl)cc1Cl)N1CCCC(C(F)(F)F)C1,RVOROLZXEVGEDQ-UHFFFAOYSA-N
-rxn:4:203712:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KZNHCBAWWURQJF-UHFFFAOYSA-N
-rxn:4:203712:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccn1)C(F)(F)F,UFDOWXGEDOJBSA-UHFFFAOYSA-N
-rxn:4:203772:224196,CCN1CCN(Cc2cc(F)cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCCCC3)c2)CC1,VQMOGEDSTYJCJK-UHFFFAOYSA-N
-rxn:4:203775:223895,CCN1CCN(CCOc2ccc(-c3cncc(S(=O)(=O)N4CCC(OC)CC4)c3)cc2)CC1,OAGFTVBJERQKIS-UHFFFAOYSA-N
-rxn:4:203792:222632,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,NEHVALJQWIXMDB-UHFFFAOYSA-N
-rxn:4:203796:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(N3C(=O)C(=Cc4ccccc4[N+](=O)[O-])SC3=S)c2)c1,GXVHFONFNKSJKA-UHFFFAOYSA-N
-rxn:4:203796:223960,CCN1CCN(C(=O)c2cc(-c3cccc(N4C(=O)C(=Cc5ccccc5[N+](=O)[O-])SC4=S)c3)ccc2F)CC1,KPLYJAGRDJUVMZ-UHFFFAOYSA-N
-rxn:4:203797:223753,Cc1ccc(-c2ccc(/C(C=[N+](C)C)=C/N(C)C)cc2)cc1OCCCN1CCN(C)CC1,ZVKCDXYFPRWJEB-UHFFFAOYSA-N
-rxn:4:203885:223694,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)c2)CC1,XTTATKOQCFSEMK-UHFFFAOYSA-N
-rxn:4:203915:224378,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)C1,KLJZJSMPKBRLLB-UHFFFAOYSA-N
-rxn:4:203922:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N(C)CC4CCOCC4)c(C)c3)c(F)cc2C)CC1,WPGNVHCEPPOERA-UHFFFAOYSA-N
-rxn:4:203953:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1,OBIKGMGTBVAHLE-UHFFFAOYSA-N
-rxn:4:204041:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)cc2F)CC1,CIIWDUGUTFGCCV-UHFFFAOYSA-N
-rxn:4:204047:223755,CC1CCN(CCCOc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccccc5)C4=S)cc3)cc2F)CC1,VFNYEZXFJLGDAQ-UHFFFAOYSA-N
-rxn:4:204048:223753,Cc1ccc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC3(C)C)cc2)cc1OCCCN1CCN(C)CC1,NJTGWVMYSLJQID-UHFFFAOYSA-N
-rxn:4:204079:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN=C4c4ccccc4)cc3C)cc2)CC1,RXSPCEWNUHCBIB-UHFFFAOYSA-N
-rxn:4:204081:224198,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCN=C4c4ccccc4)c(C)cc3C)c(F)c2)CC1,GQKAKAWVZADAHW-UHFFFAOYSA-N
-rxn:4:204088:223895,CCN1CCN(CCOc2ccc(-c3ccccc3-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)cc2)CC1,QOYYKRBNLPQOFN-UHFFFAOYSA-N
-rxn:4:204096:223774,COc1cccc2c1cc(-c1cccc(C(C)N3CCN(C(C)C)CC3)c1)n2C(=O)OC(C)(C)C,OATCOPZFVYDSGF-UHFFFAOYSA-N
-rxn:4:204115:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccn1)C(F)(F)F,QDXOUDCUMVBDMI-UHFFFAOYSA-N
-rxn:4:204128:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC45CCCC5)cc3)c(F)c2)CC1,PNZWFODSCMKWEU-UHFFFAOYSA-N
-rxn:4:204130:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)c2)CC1,CPWQOKBKZBVVQN-UHFFFAOYSA-N
-rxn:4:204142:223169,CC1CN(Cc2ccc(-c3cnc(C4CCNCC4)nc3)cc2N2CCOCC2)CCO1,GQMUYVLRAPBYGV-UHFFFAOYSA-N
-rxn:4:204142:223278,CC1CN(Cc2ccc(-c3cnn(C4CCNCC4)c3)cc2N2CCOCC2)CCO1,WCZIWTUMBAXYCY-UHFFFAOYSA-N
-rxn:4:204145:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5ccc(C)cc5C)CC4)c3)cc2)CC1,FKTCBYRARRSAPL-UHFFFAOYSA-N
-rxn:4:204157:224704,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2)CC1,UBAOTCHBMNHSNG-UHFFFAOYSA-N
-rxn:4:204160:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,HZYBFRFRBRYZTG-UHFFFAOYSA-N
-rxn:4:204173:225305,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCC2)c(C(F)(F)F)c1,KTKYNPQRAZHBCJ-UHFFFAOYSA-N
-rxn:4:204179:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(c5ccc(C)c(C)c5)CC4)cc3C)cc2)CC1,IEWLHNMJKHPWOH-UHFFFAOYSA-N
-rxn:4:204179:223992,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3C)CC2)cc1C,JKGGGACAHCSJOC-UHFFFAOYSA-N
-rxn:4:204507:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,IEFAOOPYZLYPLA-UHFFFAOYSA-N
-rxn:4:204600:223771,COc1ccc2c(c1)cc(-c1ccc3c(n1)CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,TVHFAOLREMCKIJ-UHFFFAOYSA-N
-rxn:4:204603:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cncc2c1CCN(C(=O)OC(C)(C)C)C2,XXSIPVKQVLDDDJ-UHFFFAOYSA-N
-rxn:4:204604:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,XUDTUNRQKXQFSW-UHFFFAOYSA-N
-rxn:4:204607:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3ccn(CC(=O)N4CCC(=O)CC4)c3c2)cnc1Cl,HBOBNJZXPOVYBZ-UHFFFAOYSA-N
-rxn:4:204615:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)c3cccnc3c2OC(=O)N2CCCCC2)cc1,MHIUAJOJZSRGAO-UHFFFAOYSA-N
-rxn:4:204669:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4c5ccccc5N(C5CC5)S4(=O)=O)cc3)cc2)CC1,TZQWSMAQVSXBFK-UHFFFAOYSA-N
-rxn:4:204681:225269,COC(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)c(C(=O)OC)c1,CBKMQGFWIXFNFZ-UHFFFAOYSA-N
-rxn:4:204695:226844,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,SRQOPZRCHVGUQM-UHFFFAOYSA-N
-rxn:4:204723:223566,Cc1ccc(C)n1-c1cc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc(-n2c(C)ccc2C)n1,VSJLMJGKOFIBJZ-UHFFFAOYSA-N
-rxn:4:204735:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)c(F)cc2C)CC1,KOIGZWYSUFMKIT-UHFFFAOYSA-N
-rxn:4:204740:223499,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,KMDCAUSACNGQCY-UHFFFAOYSA-N
-rxn:4:204767:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccccc4F)cc3)cc2F)CC1,VFXLLAGIZUNNBH-UHFFFAOYSA-N
-rxn:4:204779:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5cc(F)ccc5F)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,AFJOVBZKEWGDDX-UHFFFAOYSA-N
-rxn:4:204796:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)c(F)c2)CC1,USOICKPGNKUBPK-UHFFFAOYSA-N
-rxn:4:204798:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1OCCCN1CCN(C)CC1,ZISFFGFOXGZYKI-UHFFFAOYSA-N
-rxn:4:204805:224612,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,GZOKBGZCXLYTOP-UHFFFAOYSA-N
-rxn:4:204807:224612,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,XFEMFMHQRFSVMK-UHFFFAOYSA-N
-rxn:4:204818:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5ccccc5C)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,DBYYHUWMTRDYCR-UHFFFAOYSA-N
-rxn:4:204837:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4C5C(=O)N(c6ccccc6)C(=O)C5ON4c4ccccc4)cc3)cc2)CC1,GDMVRPMVVACIQM-UHFFFAOYSA-N
-rxn:4:204848:224198,CCN1CCN(Cc2ccc(-c3cccc(CN4C(=O)N(c5ccc(C)c(C)c5)S(=O)(=O)c5ccccc54)c3)c(F)c2)CC1,XVVFYDGTVCXYPG-UHFFFAOYSA-N
-rxn:4:204864:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,JKMPVCRTSQQPEX-UHFFFAOYSA-N
-rxn:4:204866:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2)cc1OCCCN1CCN(C)CC1,HFFSOSGMWVRJPT-UHFFFAOYSA-N
-rxn:4:204866:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,UGRPQLVTGXNJIM-UHFFFAOYSA-N
-rxn:4:204875:223239,O=C1C2C(c3ccc(-c4cncc(C5CCCN5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,TYBMHKBKJNEEFH-UHFFFAOYSA-N
-rxn:4:205383:223753,Cc1ccc(-c2cc(S(N)(=O)=O)c([N+](=O)[O-])cc2F)cc1OCCCN1CCN(C)CC1,IURSYYSPTWTNIQ-UHFFFAOYSA-N
-rxn:4:206199:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CCCC4)nc3C#N)c(F)cc2C)CC1,BUXCEUGUNJEXLN-UHFFFAOYSA-N
-rxn:4:206200:223712,COc1ccc(-c2cnc(Cl)c(C(=O)N3CCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,LSOWOLZXJGLUEB-UHFFFAOYSA-N
-rxn:4:206229:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(F)(F)C4)n3)c3ccccc23)CC1,CVTXTKQQCGIYIL-UHFFFAOYSA-N
-rxn:4:206233:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCC(F)C4)ccc3F)c3ccccc23)CC1,RFZZDUWANNHBJU-UHFFFAOYSA-N
-rxn:4:206280:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(C(=O)N3CCC(F)(F)C3)c(F)c2)CC1,HMBSNGAIQIWYBK-UHFFFAOYSA-N
-rxn:4:206422:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(C4CCOCC4)ccnc3C#N)c(F)c2)CC1,JQRJGTVBMRXDBD-UHFFFAOYSA-N
-rxn:4:206644:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C#N)ccc3N3CCC(F)(F)CC3)cc2)CC1,RSPXLDHIKQGYQM-UHFFFAOYSA-N
-rxn:4:206648:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCC(F)(F)CC4)ccc3F)c2)C1,XOFVZTPIRVIXAZ-UHFFFAOYSA-N
-rxn:4:206686:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1,XBPAQBQKICEVCE-UHFFFAOYSA-N
-rxn:4:206737:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,SDMMFLIMHLHUCW-UHFFFAOYSA-N
-rxn:4:206775:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnn([Si](C)(C)C(C)(C)C)c3)cc21,BNFVBOSNWSUIFA-UHFFFAOYSA-N
-rxn:4:206817:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4C(=O)C(=Cc5ccncc5)SC4=S)c3)c(F)cc2C)CC1,BYHUIKDSMWUPBF-UHFFFAOYSA-N
-rxn:4:206960:222720,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cc2)CC1,ULADPHFOJOABJV-UHFFFAOYSA-N
-rxn:4:206981:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,CUAJSTJPRVNRNU-UHFFFAOYSA-N
-rxn:4:206981:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,XTVNUYRPEQLCGY-UHFFFAOYSA-N
-rxn:4:206981:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)cc(S(=O)(=O)N2CCCC2)c1,OLTMYDHLPPZBKB-UHFFFAOYSA-N
-rxn:4:207057:222778,Cc1ccc(-c2cncc(CNC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCN(C)CC1,XLGPMYBESKDDDS-UHFFFAOYSA-N
-rxn:4:207091:226844,O=C1CC(N2CCCCCC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DKCIOGDJXBGNHX-UHFFFAOYSA-N
-rxn:4:207482:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CC4SC5=NCCN5C4=O)cc3)c2)CC1,MKDDDNYCUHZMRK-UHFFFAOYSA-N
-rxn:4:207624:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cncc3c2CCN3C(=O)C(C)(C)C)cc1,UKDFSWZEDIXQLY-UHFFFAOYSA-N
-rxn:4:207669:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)cc1,HDRCKLGVCVVENF-UHFFFAOYSA-N
-rxn:4:207813:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c4ccccc34)c(F)cc2C)CC1,AWMNKVZYUXTHOC-UHFFFAOYSA-N
-rxn:4:207831:223753,Cc1ccc(-c2ccc(-c3nc4sccn4c3C=C3C(=O)OC(C)(C)OC3=O)cc2)cc1OCCCN1CCN(C)CC1,IBZNOWITGHBYCF-UHFFFAOYSA-N
-rxn:4:207846:226844,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KEDXPYLMCJSZOH-UHFFFAOYSA-N
-rxn:4:207851:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)N(c5cccc(C)c5)C5CS(=O)(=O)CC54)cc3)cc2)CC1,KKBZYHCNWZBUOU-UHFFFAOYSA-N
-rxn:4:207856:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,UBRJSKVFESKMNI-UHFFFAOYSA-N
-rxn:4:207965:227706,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)cnc4C(F)F)ccc2OC32CCC(C)CC2)cc1,KNJYGBDMJJWALA-UHFFFAOYSA-N
-rxn:4:210543:223753,Cc1ccc(-c2cc3c(c([N+](=O)[O-])c2)CN(C)C3=O)cc1OCCCN1CCN(C)CC1,FKABTULSQSTPOK-UHFFFAOYSA-N
-rxn:4:211059:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C(=O)CS(=O)(=O)C45C(=O)N(C)c4ccccc45)cc3)cc2F)CC1,HFZZZOUFBKSMLY-UHFFFAOYSA-N
-rxn:4:211099:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C3CC(c5ccc(C)cc5)=NN3C3(CCCC3)O4)cc2)CC1,XYMZZPNUYTUKIW-UHFFFAOYSA-N
-rxn:4:212523:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)o2)c1,JXBYLPQKAQMSGF-UHFFFAOYSA-N
-rxn:4:212524:224612,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,RRYVFYMBIQYBRP-UHFFFAOYSA-N
-rxn:4:212542:224599,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)C4CCCCC4)ccc3F)cn2)C1,NWKMZCPFYXIVLG-UHFFFAOYSA-N
-rxn:4:212557:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4ccccc4[N+](=O)[O-])cc3)cc2)CC1,VCCOTGAEWWMQFI-UHFFFAOYSA-N
-rxn:4:212559:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CSC4=NCCN4C(=O)c4ccc([N+](=O)[O-])cc4)cc3)ccc2F)CC1,JXCTYFTXOBRKEY-UHFFFAOYSA-N
-rxn:4:212582:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)c1,XNBLHFWKCSAXNO-UHFFFAOYSA-N
-rxn:4:212629:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,ORBBWIVPEZBRJP-UHFFFAOYSA-N
-rxn:4:212650:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)cc2)CC1,NZPJRUGYQJUONR-UHFFFAOYSA-N
-rxn:4:212651:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UQHZTYMLEBYZCB-UHFFFAOYSA-N
-rxn:4:212654:222632,CCn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cnc1SCC(=O)N1CCCCC1,AXUQDGOABWDDAQ-UHFFFAOYSA-N
-rxn:4:212711:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)cc2)CC1,WMOSYMKEMZPAHH-UHFFFAOYSA-N
-rxn:4:212722:223239,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cncc(C4CCCN4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,OMLKHKGJYCOYFZ-UHFFFAOYSA-N
-rxn:4:212725:226844,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nn1,YMJOIXWYDBXZJP-UHFFFAOYSA-N
-rxn:4:212741:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KBZDRFIOCXXCHK-UHFFFAOYSA-N
-rxn:4:212749:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,QYQXPZVLZCVUAB-UHFFFAOYSA-N
-rxn:4:212750:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1,OPJKRKANXZBCHI-UHFFFAOYSA-N
-rxn:4:212751:223279,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,ZMQZVHYZIXOPLA-UHFFFAOYSA-N
-rxn:4:212767:222632,COCCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,KDWOLZVLKAWYSJ-UHFFFAOYSA-N
-rxn:4:212780:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)cc3)c2)CC1,CNEATSSWXLKTEU-UHFFFAOYSA-N
-rxn:4:212816:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)c1,HCLKKXIKDGQDHO-UHFFFAOYSA-N
-rxn:4:212827:225723,CN(C)CCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cc3c2)cc1Cl,XFJPELWGFNGQIY-UHFFFAOYSA-N
-rxn:4:212974:223753,Cc1ccc(-c2ccc(OC3CCN(C(=O)Cc4cccnc4)C3)nc2)cc1OCCCN1CCN(C)CC1,AZCKVJUKHPUKMK-UHFFFAOYSA-N
-rxn:4:212984:224777,O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2-c2cnc(C3CCCC3)c(C(F)(F)F)c2)C1,ZWUHKLHUZRCFHQ-UHFFFAOYSA-N
-rxn:4:212988:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,KMOMCEGUKYQNCM-UHFFFAOYSA-N
-rxn:4:213010:226844,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,BPEFCVBZVSZZSI-HNNXBMFYSA-N
-rxn:4:213015:223753,Cc1ccc(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3C)cc2)cc1OCCCN1CCN(C)CC1,NIZJSZKXXQJNLU-UHFFFAOYSA-N
-rxn:4:213039:226844,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,ODYPGGCDBRERDL-UHFFFAOYSA-N
-rxn:4:213049:223753,Cc1ccc(-c2ccc(OCc3nc(C#N)c(N4CCC(C)CC4)o3)cc2)cc1OCCCN1CCN(C)CC1,IQVRNJRJPGYXIU-UHFFFAOYSA-N
-rxn:4:213053:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)c2)CC1,JHZNWOSNBKCZES-UHFFFAOYSA-N
-rxn:4:213076:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3)c2)cc1,PFEHSIFXZWHBNV-UHFFFAOYSA-N
-rxn:4:213079:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,MHKLQRPNKWTAPQ-UHFFFAOYSA-N
-rxn:4:213079:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,RCINSTWVPREUDV-UHFFFAOYSA-N
-rxn:4:213088:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2C#N)CC1,OHEKILMLTFUIAA-UHFFFAOYSA-N
-rxn:4:213126:223499,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,JOFGJTOZABYLRZ-UHFFFAOYSA-N
-rxn:4:213129:226844,COc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,RCSGUBRKDDOOAO-UHFFFAOYSA-N
-rxn:4:213134:225191,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(OC4CCCCC4)cc3F)cn2)CC1,GBXNMLCMIMLSPF-UHFFFAOYSA-N
-rxn:4:213153:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3[N+](=O)[O-])cc2)CC1,INLJVMCQSVHMCJ-UHFFFAOYSA-N
-rxn:4:213153:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3[N+](=O)[O-])c(F)c2)CC1,RVYWZDCQYIRECF-UHFFFAOYSA-N
-rxn:4:213167:222632,CC1CC(C)CN(c2oc(COc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)nc2C#N)C1,SBHSOAJSTXFQRI-UHFFFAOYSA-N
-rxn:4:213169:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCCC4)nn3)cc2)c1,BWNMIZBTCRYQGG-UHFFFAOYSA-N
-rxn:4:213188:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ANVGEMXJSYAVOA-UHFFFAOYSA-N
-rxn:4:213201:224612,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCCN4CCOCC4)cc3)CC2)ncn1,CNFCJPKYRJHQPL-UHFFFAOYSA-N
-rxn:4:213203:222722,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3)CC2)nn1,SGRGJNJMWCEIPR-UHFFFAOYSA-N
-rxn:4:213216:227574,COc1c(F)ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1OC,PGTFCOYEJMTZNB-UHFFFAOYSA-N
-rxn:4:213228:226844,CC1CN(S(=O)(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,HTIBCPQMFIGLLG-UHFFFAOYSA-N
-rxn:4:213240:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C4=NN(C(=O)c5ccncc5)C(c5ccccc5OC)C4)cc3)ccc2F)CC1,NHRBMXLAYNFTHN-UHFFFAOYSA-N
-rxn:4:213245:222632,CN(C(=O)Cn1nc(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)ccc1=O)C1CCCCC1,IQYXWQDLZPJIRV-UHFFFAOYSA-N
-rxn:4:213250:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc3)cc2F)CC1,ZPTYSJVICNOKIT-UHFFFAOYSA-N
-rxn:4:213272:225723,CN(C)CCOc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)cc1Cl,VHXCVVBVAUPFDQ-UHFFFAOYSA-N
-rxn:4:213279:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)ccc2F)CC1,QRICXNZTCFUSQJ-UHFFFAOYSA-N
-rxn:4:213290:223279,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1)C1(c2ccccc2)CCOCC1,GIRWVEWVHURVQP-UHFFFAOYSA-N
-rxn:4:213324:222632,C#CCn1c(=NC(=O)c2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,AKEHBXWYMVUKEG-UHFFFAOYSA-N
-rxn:4:213324:223960,C#CCn1c(=NC(=O)c2cccc(-c3ccc(F)c(C(=O)N4CCN(CC)CC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,RREYXOSREOFDEN-UHFFFAOYSA-N
-rxn:4:213338:226844,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,UUFXCPYWIDULHY-UHFFFAOYSA-N
-rxn:4:213413:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4[nH]c(C(=O)N5CCN(C(=O)OC(C)(C)C)C(C)C5)cc4c3)c2)CC1,IMEPXQJMXGQGEH-UHFFFAOYSA-N
-rxn:4:213428:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)ccc2c1,GISJBQZISHHFNA-QNGWXLTQSA-N
-rxn:4:213440:223279,O=C(Cn1ccc2ccc(-c3cnc(C4CCCN4)nc3)cc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,GYENHGXRHOJAAQ-UHFFFAOYSA-N
-rxn:4:213469:224612,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,ZGOWTWUKLNWBAO-SXLOSVNLSA-N
-rxn:4:213657:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnn([C@H]3CON(C(=O)OC(C)(C)C)C3)c2)c(F)c1,IBMHWOKGPABOOE-OAHLLOKOSA-N
-rxn:4:213693:223182,CCNS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,NPHHPCJHGSAHQL-UHFFFAOYSA-N
-rxn:4:213704:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Oc4cnn(C5CCCCO5)c4)c(C#N)c3)c(F)cc2C)CC1,DRCUDWYMEXCFHK-UHFFFAOYSA-N
-rxn:4:213813:223755,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cn2)C1,FDZVMEICVTXBMK-UHFFFAOYSA-N
-rxn:4:213860:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cnccn4)CC3)cc2)cc1OCCCN1CCN(C)CC1,BBVVQVCVVINRGD-UHFFFAOYSA-N
-rxn:4:213860:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5cnccn5)CC4)cc3)cc2)CC1,UGABRVYFKWNJFW-UHFFFAOYSA-N
-rxn:4:213863:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)cc2)CC1,RTSWAMZNYJVSMU-UHFFFAOYSA-N
-rxn:4:213876:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c2ccccc12,LOPIJUAKBZKQCP-UHFFFAOYSA-N
-rxn:4:213883:224157,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12,MRXSMBHLKNFTRC-UHFFFAOYSA-N
-rxn:4:213899:224864,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(CN(C(C)C)C(C)C)cc1,OUOMGWGVNWPJIW-UHFFFAOYSA-N
-rxn:4:213919:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)cc2)CC1,YYDZDSXTOVNXDW-UHFFFAOYSA-N
-rxn:4:213921:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4CCN(Cc5ccccc5)CC4)c3[N+](=O)[O-])cc2F)CC1,KJAKQFOHWUAOMS-UHFFFAOYSA-N
-rxn:4:213921:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4CCN(Cc5ccccc5)CC4)c3[N+](=O)[O-])cc2)CC1,QYGJNALRBKMTTH-UHFFFAOYSA-N
-rxn:4:213921:224198,CCN1CCN(Cc2ccc(-c3cccc(N4CCN(Cc5ccccc5)CC4)c3[N+](=O)[O-])c(F)c2)CC1,QKXCYXXTFMZXAA-UHFFFAOYSA-N
-rxn:4:213922:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(Cc5ccccc5)CC4)ccc3[N+](=O)[O-])cc2)CC1,FOLKJNBMVFYYMQ-UHFFFAOYSA-N
-rxn:4:213942:226844,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VQDPNBRRAYYMRV-UHFFFAOYSA-N
-rxn:4:213943:226844,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SZFXKCYZZMJCGC-UHFFFAOYSA-N
-rxn:4:213955:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)C5CC=CCC5)CC4)nc3)cc2)CC1,BHFHYEYDWAJJQF-UHFFFAOYSA-N
-rxn:4:213970:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)nc3)cc2)CC1,SGFIFVXFBHXHED-UHFFFAOYSA-N
-rxn:4:213974:226844,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,LGAQSIHJGJTPNH-UHFFFAOYSA-N
-rxn:4:213985:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,YDHGLBVAJWTMSC-UHFFFAOYSA-N
-rxn:4:213997:222868,CC1CN(c2ccncc2-c2ccccc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,ICDWPWOATFVENF-UHFFFAOYSA-N
-rxn:4:214000:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1F,KJAITLICOUAWLQ-UHFFFAOYSA-N
-rxn:4:214019:224198,CCN1CCN(Cc2ccc(-c3ccccc3/C(C#N)=C/c3ccc(N4CCN(C)CC4)cc3)c(F)c2)CC1,YLLYBXSYBNBXIK-XAYXJRQQSA-N
-rxn:4:214019:224612,CN1CCN(c2ccc(/C=C(\C#N)c3ccccc3-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,YLFRIPJACARSGN-ZZIIXHQDSA-N
-rxn:4:214033:223865,CC(C)c1ccc(OCc2ccccc2)c(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,XPGDHFBKZXMVRG-LOYHVIPDSA-N
-rxn:4:214033:227837,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C2CC2)c1,AEPPSZRFDQICKJ-JWQCQUIFSA-N
-rxn:4:214035:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c(F)cc2C)CC1,UGJMTBORTJSIMB-UHFFFAOYSA-N
-rxn:4:214037:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CC(C(=O)N5CCN(S(C)(=O)=O)CC5)CC4=O)cc3)cc2)CC1,IJGUVYGDCPEMTP-UHFFFAOYSA-N
-rxn:4:214057:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LLZGBZMNLXCJFV-UHFFFAOYSA-N
-rxn:4:214060:226844,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)C1,XZXRGCXSVPWPLK-UHFFFAOYSA-N
-rxn:4:214065:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)n4nc(C)c(S(=O)(=O)N5CCC(C)CC5)c4C)cc3)cc2)CC1,MMKBQNSHEVNLJQ-UHFFFAOYSA-N
-rxn:4:214065:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)n4nc(C)c(S(=O)(=O)N5CCC(C)CC5)c4C)cc3)c(F)c2)CC1,XETNDSMFOKVJFR-UHFFFAOYSA-N
-rxn:4:214084:224612,CN1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)oc2-c2ccc(Cl)cc2)CC1,PXWGGCBEBQPNPF-UHFFFAOYSA-N
-rxn:4:214160:223895,CCN1CCN(CCOc2ccc(-c3ccccc3CSc3nc4c(cc3C#N)CN(C)CC4)cc2)CC1,QTBNQPWHCAWKJH-UHFFFAOYSA-N
-rxn:4:214220:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)cc1,AKDDXPFUHZQEMV-UHFFFAOYSA-N
-rxn:4:214229:226844,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,PFONIJRFVRTUBF-UHFFFAOYSA-N
-rxn:4:214254:223929,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cnc21,MWJFPHOXDSKXLD-UHFFFAOYSA-N
-rxn:4:214256:226844,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccnc(C(=O)C(F)(F)F)c3)nn2C2CCOC2)C1,BRWRGRKXLHCPQJ-UHFFFAOYSA-N
-rxn:4:214271:223753,Cc1ccc(-c2cccc(C(=O)N3CCC(Oc4cnc5ccccc5n4)CC3)c2)cc1OCCCN1CCN(C)CC1,BGLGUSWQMSPDGN-UHFFFAOYSA-N
-rxn:4:214282:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)c3)cc2)CC1,NZXJADHHVOKMLM-UHFFFAOYSA-N
-rxn:4:214331:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCOCC5)cc3)n4C)cc2)CC1,NURVRQCEIKRHNC-UHFFFAOYSA-N
-rxn:4:214334:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3S(=O)(=O)n3ccc4c(CN5CCN(C)CC5)cccc43)c2)CC1,XNGGUMVAHZTXJF-UHFFFAOYSA-N
-rxn:4:214334:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)n3ccc4c(CN5CCN(C)CC5)cccc43)c(F)c2)CC1,DGUOFLIXGUFEFM-UHFFFAOYSA-N
-rxn:4:214337:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IVWUGNHGWIJGRE-UHFFFAOYSA-N
-rxn:4:214342:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5cc(C)nc6ccccc56)CC4)cc3)c(F)c2)CC1,ZYJZKMSVUNXHHJ-UHFFFAOYSA-N
-rxn:4:214349:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)cc2)CC1,UAOKRYOBAJVREV-UHFFFAOYSA-N
-rxn:4:214352:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCc6ccccc65)cc3)n4C)cc2)CC1,PAARDFGHQLCQBD-UHFFFAOYSA-N
-rxn:4:214677:223753,CCN1CCN(c2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)ccc2C#N)CC1,VOGBCRBWQFWYMN-UHFFFAOYSA-N
-rxn:4:214683:223895,CCN1CCN(CCOc2ccc(-c3cnc(C(=O)N4CCN(CC)CC4)c(Cl)c3)cc2)CC1,YWRKIODLTJDCHO-UHFFFAOYSA-N
-rxn:4:214718:223558,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc4c(c3)CCN(C(=O)OCc3ccccc3)C4)c2)CC1,XECADNZTVYDIIH-UHFFFAOYSA-N
-rxn:4:214744:223753,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)cc2C#N)cc1OCCCN1CCN(C)CC1,YZWCLGNXOSTSOC-UHFFFAOYSA-N
-rxn:4:214746:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)c2)CC1,MALGJTIPJDFEFT-UHFFFAOYSA-N
-rxn:4:214760:223753,Cc1ccc(-c2cnc(N3CCC(Oc4ccncc4C)C3)c(Cl)c2)cc1OCCCN1CCN(C)CC1,JEKHREKMQIMWFK-UHFFFAOYSA-N
-rxn:4:214770:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc([N+](=O)[O-])c(N4CCC(N(C)C)CC4)c3)c2)CC1,PEXIRDOLJDRUFD-UHFFFAOYSA-N
-rxn:4:214775:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)CC1,SHEXLYMFBFJWBL-UHFFFAOYSA-N
-rxn:4:214786:224336,O=C1CN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)cc2C(F)(F)F)CCN1c1cccnc1,AIJTWFMJGHJHML-UHFFFAOYSA-N
-rxn:4:214787:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)c(F)c2)CC1,XJAMXBRRPHLDHK-UHFFFAOYSA-N
-rxn:4:214838:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,PIAFRFXGQUHQEJ-UHFFFAOYSA-N
-rxn:4:214855:222998,Fc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc(C2CCCNC2)c1,PZPVVYUXZSCWPF-UHFFFAOYSA-N
-rxn:4:214859:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5ccn(C)n5)C4)cc3)cc2)CC1,ZVARQNGYQGDPST-UHFFFAOYSA-N
-rxn:4:214868:223895,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)cc2)CC1,ZTXPGHHVHJJXKD-UHFFFAOYSA-N
-rxn:4:214885:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1)N1CCC(F)(F)CC1,SMHHDCKLBOQDTE-UHFFFAOYSA-N
-rxn:4:214886:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1)N1CCC(F)(F)CC1,JNFLPVDZQVTPOG-UHFFFAOYSA-N
-rxn:4:214888:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)cc2)CC1,RWCAISFQLHSBKO-UHFFFAOYSA-N
-rxn:4:214895:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C=C4SC(=S)N(c5c(C)n(C)n(-c6ccccc6)c5=O)C4=O)cc3)ccc2F)CC1,RVRSBFIPDSWEJF-UHFFFAOYSA-N
-rxn:4:214895:224198,CCN1CCN(Cc2ccc(-c3ccc(C=C4SC(=S)N(c5c(C)n(C)n(-c6ccccc6)c5=O)C4=O)cc3)c(F)c2)CC1,GRTITMNOXQGKHU-UHFFFAOYSA-N
-rxn:4:215105:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,SCZXZWIWRFROBO-UHFFFAOYSA-N
-rxn:4:215148:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,QAXUFDDUFINQAA-UHFFFAOYSA-N
-rxn:4:215181:224198,CCN1CCN(Cc2ccc(-c3ccc(Oc4nc5ccccn5c(=O)c4C=C4SC(=S)N(C)C4=O)cc3)c(F)c2)CC1,RVCRHRPMUYZBRS-UHFFFAOYSA-N
-rxn:4:215191:223753,CCn1c(C2CC(=O)N(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)C2)nc2ccccc21,BMCZCAYFOUGSNQ-UHFFFAOYSA-N
-rxn:4:215203:223895,CCN1CCN(CCOc2ccc(-c3ccc4nc(N5CCN(C(=O)c6cccc(C)c6)CC5)sc4c3)cc2)CC1,XPTGXCQINZFLIE-UHFFFAOYSA-N
-rxn:4:215251:223753,Cc1ccc(-c2ccc(-c3cn4c(ccc5c(C(F)(F)F)cc(C(F)(F)F)nc54)n3)cc2)cc1OCCCN1CCN(C)CC1,KJAJFLSRSPDIKY-UHFFFAOYSA-N
-rxn:4:215285:226844,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)cc1,XKOLMIWBIXIORE-UHFFFAOYSA-N
-rxn:4:215296:223239,CCCN1CCC2(CC1)Oc1ccc(-c3cncc(C4CCCN4)c3)cc1C1CC(c3ccccc3)=NN12,NXVUFLVXYIHUSO-UHFFFAOYSA-N
-rxn:4:215474:223753,Cc1ccc(-c2cnc(C3(C(F)(F)F)N=N3)c(C)c2)cc1OCCCN1CCN(C)CC1,DUHTXVGWPSCOMW-UHFFFAOYSA-N
-rxn:4:215780:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)CC1,DBHQJUVOMKGDQH-UHFFFAOYSA-N
-rxn:4:215782:222465,CCN1CCN(c2nc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cs2)CC1,UFGMSLSOMXBIMS-UHFFFAOYSA-N
-rxn:4:215827:223753,CSc1ncc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(N2CCCCC2)n1,QHMLOZZKSODOQF-UHFFFAOYSA-N
-rxn:4:215874:223753,Cc1ccc(-c2nc(C(C)C)cc(N3CCCC3)n2)cc1OCCCN1CCN(C)CC1,VXTBZYBUTBCCKH-UHFFFAOYSA-N
-rxn:4:215947:223895,CCN1CCN(CCOc2ccc(-c3nc(N4CCCC4)cc(C(C)(C)C)n3)cc2)CC1,ADLJIYCGCOWZLR-UHFFFAOYSA-N
-rxn:4:215947:223993,Cc1cc(-c2nc(N3CCCC3)cc(C(C)(C)C)n2)ccc1S(=O)(=O)N1CCN(C)CC1,DNQZGONUXHDAFO-UHFFFAOYSA-N
-rxn:4:215967:223895,CCN1CCN(CCOc2ccc(-c3nc(N4CCOCC4)cc(C(C)(C)C)n3)cc2)CC1,ZPCJINABFONFLC-UHFFFAOYSA-N
-rxn:4:215977:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cc(N4CCCC(C)C4)n3)c(F)cc2C)CC1,UNCOQBVBGVGDGT-UHFFFAOYSA-N
-rxn:4:215980:223895,CCN1CCN(CCOc2ccc(-c3nc(C(C)C)cc(N4CCCCC4C)n3)cc2)CC1,QOXCDLXBGDYCEE-UHFFFAOYSA-N
-rxn:4:215981:224198,CCN1CCN(Cc2ccc(-c3nc(N4CCCCC4)cc(C(C)(C)C)n3)c(F)c2)CC1,BHKNVOFBKBGREN-UHFFFAOYSA-N
-rxn:4:216267:222707,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccnc(CNC(=O)OC(C)(C)C)c1F,OKMLZJZMWDYDOE-UHFFFAOYSA-N
-rxn:4:217889:224425,CCCC1CCC(c2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,VVXXGNPWAWGXNR-UHFFFAOYSA-N
-rxn:4:218585:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(Cc5ccc(C#N)cc5F)CC4)nc3)c(F)cc2C)CC1,RGSXCDFJBKMQGU-UHFFFAOYSA-N
-rxn:4:218641:226844,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AULACNAJDNJBJH-UHFFFAOYSA-N
-rxn:4:218668:226844,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,ZZCPYOZXKTZDMP-UHFFFAOYSA-N
-rxn:4:218681:225723,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN(C)C)c(Cl)c4)cn3)CC2)CC1,SJZRBYWHFFJWCH-UHFFFAOYSA-N
-rxn:4:218705:225723,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)n[nH]2)CC1,CFUJMYIKWJVBBF-UHFFFAOYSA-N
-rxn:4:218754:223490,Cc1ccc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DCVXQGIPZGTTFX-UHFFFAOYSA-N
-rxn:4:218754:224157,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)c3n(CC#N)c2=O)CC1,YVTLXTNZJZNWFN-UHFFFAOYSA-N
-rxn:4:218773:225723,CN(C)CCOc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc1Cl,PLBAWEZAKKPQTK-UHFFFAOYSA-N
-rxn:4:218787:226844,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,MXRUFVMUXUEYRW-UHFFFAOYSA-N
-rxn:4:218822:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCC(Oc5nccnc5C#N)C4)o3)cc2)CC1,VBJDKFOAXZOUOC-UHFFFAOYSA-N
-rxn:4:218853:223753,Cc1ccc(-c2ccccc2CCC(=O)N2CCN(c3cnsn3)CC2)cc1OCCCN1CCN(C)CC1,LLFFMSQLYINSGL-UHFFFAOYSA-N
-rxn:4:218853:223895,CCN1CCN(CCOc2ccc(-c3ccccc3CCC(=O)N3CCN(c4cnsn4)CC3)cc2)CC1,OQSZBPXZGOOLOU-UHFFFAOYSA-N
-rxn:4:218890:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)cc2F)CC1,SZQWVPVPTRXIOW-UHFFFAOYSA-N
-rxn:4:218917:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,IYSFYUDXRKEWGV-UHFFFAOYSA-N
-rxn:4:218964:226844,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,DKAJHMCPHJHPMG-UHFFFAOYSA-N
-rxn:4:218972:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(F)c2)CC1,YMKKXSGAXAJFGZ-UHFFFAOYSA-N
-rxn:4:219026:226844,CC1CN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,NTEFDTVAEMBRLH-UHFFFAOYSA-N
-rxn:4:219050:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4csc(N5CCN(c6ccc(C(F)(F)F)cc6[N+](=O)[O-])CC5)n4)cc3)cc2F)CC1,HISCBCOKDARVKC-UHFFFAOYSA-N
-rxn:4:219079:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)Cc6cccc(C)c6)CC5)[nH]n4)cc3)cc2)CC1,UFNRWKLBDJBRNE-UHFFFAOYSA-N
-rxn:4:219207:223279,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)cs2)CC1,XERYQDIPDBIVJO-UHFFFAOYSA-N
-rxn:4:219242:224491,CC(C)N(Cc1cc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)ccc1F)C(C)C,QYTFINXCHOEQRQ-UHFFFAOYSA-N
-rxn:4:219382:223753,Cc1ccc(-c2ccc(-n3cnn(CCN4CCOCC4)c3=O)c(F)c2)cc1OCCCN1CCN(C)CC1,LXDGZWNAIDXFNL-UHFFFAOYSA-N
-rxn:4:219414:223753,Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1OCCCN1CCN(C)CC1,FAKDFVDWLCORQQ-UHFFFAOYSA-N
-rxn:4:219418:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCN(c5ccnc(OC)c5)C(=O)C4)c3)c2)CC1,AQRFFHXLYPGZPU-UHFFFAOYSA-N
-rxn:4:219488:226844,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,UOWBCFNUGCEECX-ZDUSSCGKSA-N
-rxn:4:219558:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nn4)cc3)c(F)cc2C)CC1,GPQLCWFPQTWOOD-UHFFFAOYSA-N
-rxn:4:219569:223239,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cncc(C3CCCN3)c2)cc1[N+](=O)[O-],MZBDZGFBMZKGOT-UHFFFAOYSA-N
-rxn:4:219569:226844,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],KQVYRUMLTFCMFB-UHFFFAOYSA-N
-rxn:4:219663:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)c6cccc([N+](=O)[O-])c6)CC5)sc4c3)c2)CC1,QSZLDKLYORLCIW-UHFFFAOYSA-N
-rxn:4:219697:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)cc2)CC1,USZZPEVESLFYII-UHFFFAOYSA-N
-rxn:4:219716:223753,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cc4)CC3C2)ncn1,CNZVISRMPBGOGR-UHFFFAOYSA-N
-rxn:4:219759:224198,CCN1CCN(Cc2ccc(-c3ccc(C4Cn5nc(C(=O)N6CCN(CC)CC6)cc5CO4)cc3)c(F)c2)CC1,HNKYYHIOMXDEAO-UHFFFAOYSA-N
-rxn:4:219767:225723,CN(C)CCOc1ccc(-c2ccc(CSc3nc(=O)n(N4CCN(C)CC4)c4c3CCC4)cc2)cc1Cl,RLOOYLSZZBIANP-UHFFFAOYSA-N
-rxn:4:219774:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(-c5cn(CC)c6cc(N7CCCCC7)c(F)cc6c5=O)n4)cc3)cc2)CC1,JSMRMEGTURHFIL-UHFFFAOYSA-N
-rxn:4:219913:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4CCN(c5cc(C#N)ccn5)CC4)cc3)cc2F)CC1,VPDROIMOVSCDKP-UHFFFAOYSA-N
-rxn:4:219960:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)cc3)c(F)cc2C)CC1,SMCWXGYQIKVERW-UHFFFAOYSA-N
-rxn:4:219991:227475,CCOC(=O)c1cncc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,VGATYACMJKOTHF-UHFFFAOYSA-N
-rxn:4:220005:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(N5CCN(c6ccccc6F)CC5)nn4)cc3)c(F)cc2C)CC1,VXNRAYZESQEAIW-UHFFFAOYSA-N
-rxn:4:220040:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c2)CC1,NGJQBDSJHXGOGM-UHFFFAOYSA-N
-rxn:4:220041:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,WUFPAJBOIXFIFL-UHFFFAOYSA-N
-rxn:4:220138:223712,COc1ccc(-c2ccc(C3=NN(C(C)=O)C(c4ccc5nccnc5c4)C3)cc2)cc1C12CC3CC(CC(C3)C1)C2,LXZOGSREQJVREQ-UHFFFAOYSA-N
-rxn:4:220141:223753,Cc1ccc(-c2ccc3c(C(=O)N4CCC(N5C(=O)CSC5=O)C4)n(C)nc3c2)cc1OCCCN1CCN(C)CC1,SGTGRFZYCPHJRM-UHFFFAOYSA-N
-rxn:4:220141:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(C(=O)N5CCC(N6C(=O)CSC6=O)C5)n(C)nc4c3)cc2)CC1,MIKFNRKUEQQIAT-UHFFFAOYSA-N
-rxn:4:220149:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cc2)CC1,HWRVPCFGMPLJPQ-UHFFFAOYSA-N
-rxn:4:220158:223753,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1OCCCN1CCN(C)CC1,HEFGTZHNVAOCGX-UHFFFAOYSA-N
-rxn:4:220158:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)cc2)CC1,HIDJOOOQCVTMNX-UHFFFAOYSA-N
-rxn:4:220158:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)c(F)c2)CC1,IGJJZGOMEAWODN-UHFFFAOYSA-N
-rxn:4:220161:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4N=NC5C(=O)N(c6cccc(OC)c6)C(=O)C54)cc3C)c2)CC1,UGVYKDOTEZVLQL-UHFFFAOYSA-N
-rxn:4:220194:222632,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)c(C)c4)C3C2=O)cc1,MNYQZQCLRXKBHK-UHFFFAOYSA-N
-rxn:4:220209:224599,O=C(c1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1)C1CCCCC1,BSEOCUIMYFEZCX-UHFFFAOYSA-N
-rxn:4:220240:223753,Cc1ccc(-c2ccc(-c3noc(-c4cn(C)c5cc(N6CCCCC6)c(F)cc5c4=O)n3)cc2)cc1OCCCN1CCN(C)CC1,HPJZNEDBPKFJPM-UHFFFAOYSA-N
-rxn:4:220240:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(-c5cn(C)c6cc(N7CCCCC7)c(F)cc6c5=O)n4)cc3)cc2)CC1,APFOSQUXUXOYQG-UHFFFAOYSA-N
-rxn:4:220430:222632,O=C(NCCN1CCCC1)c1cccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c1,ZTHKLEVJRYUKFA-UHFFFAOYSA-N
-rxn:4:220533:222890,COc1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc(C2CCCNC2)n1,OSZKTQZVSSXGOC-UHFFFAOYSA-N
-rxn:4:220540:222632,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)C3C2=O)c1,DQOHKLYRFCTLQH-UHFFFAOYSA-N
-rxn:4:220540:224612,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)C3C2=O)c1,BPXVKJQPQKOXJI-UHFFFAOYSA-N
-rxn:4:220544:223059,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(N6CCNCC6)cc5Cl)c(C)c4)C3C2=O)cc1F,DDLPXTMMBOTOQP-UHFFFAOYSA-N
-rxn:4:221098:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5C(F)F)CC4)nc3)c2)CC1,UCHKMZLDZBHOEX-UHFFFAOYSA-N
-rxn:4:221100:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5OC)CC4)nc3)c(F)cc2C)CC1,ATDRHBRSCBKKMK-UHFFFAOYSA-N
-rxn:4:221107:222632,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c(=O)c1C,FJAXOSSAYGNHRB-UHFFFAOYSA-N
-rxn:4:221114:228782,CCOc1ccc(-c2ccc(OC)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,DBVPDBUXFVBUCL-UHFFFAOYSA-N
-rxn:4:221121:225880,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCOCC6)ncc5F)ccc43)CC2)CC1,VDZJAHYBYHTGAH-UHFFFAOYSA-N
-rxn:4:221148:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)cc2F)CC1,KRFKLZZSAHFKPR-UHFFFAOYSA-N
-rxn:4:221169:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,JGYNKSABCWQTBL-UHFFFAOYSA-N
-rxn:4:221169:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)c(F)c2)CC1,QYCTZDNPZUJJTG-UHFFFAOYSA-N
-rxn:4:221175:222632,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)C(=O)C1=O,MBFQMGJOYCWGLO-UHFFFAOYSA-N
-rxn:4:221175:223755,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)C2)C(=O)C1=O,DLBOOKIRRDZJBO-UHFFFAOYSA-N
-rxn:4:221175:226844,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C(=O)C1=O,IEWNECWVKBWGOS-UHFFFAOYSA-N
-rxn:4:221175:228875,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(Cl)c4C#N)cn3)C2)C(=O)C1=O,XIQOJTHBEZCRRZ-UHFFFAOYSA-N
-rxn:4:221175:228891,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(Cl)c4C#N)cn3)C2)C(=O)C1=O,OMXUZFWXDFQUEH-UHFFFAOYSA-N
-rxn:4:221182:226844,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1=O,FOUBWMSNWZEMHV-UHFFFAOYSA-N
-rxn:4:221194:226844,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)cn1C,XIDVJAGQAMODAN-UHFFFAOYSA-N
-rxn:4:221203:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccn1)C(F)(F)F,AOXYWUWNBSRTSI-UHFFFAOYSA-N
-rxn:4:221206:224198,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)ncn5)CC4)cc3)c(F)c2)CC1,LMFOFWIBKARRPJ-UHFFFAOYSA-N
-rxn:4:221207:226844,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,UPNRSYNNZQDXMV-UHFFFAOYSA-N
-rxn:4:221220:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCCN(C(=O)Cn5cnc6ccccc65)C4)nc3)cc2)CC1,OWSSLRWUSFILTB-UHFFFAOYSA-N
-rxn:4:221224:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(OCc3nn4c(CN5CCCCCC5)nnc4s3)cc2)c1,NRHBOJXLOOMSPD-UHFFFAOYSA-N
-rxn:4:221245:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)c(F)cc2C)CC1,NGBDCQSGBNDMOC-UHFFFAOYSA-N
-rxn:4:221257:222632,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)c(=O)n(C)c3nc12,UWTDODUYEQFBKN-UHFFFAOYSA-N
-rxn:4:221345:223753,Cc1ccc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)cc1OCCCN1CCN(C)CC1,WUHXNPLTNNVYLT-UHFFFAOYSA-N
-rxn:4:221389:222632,Cc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1C,WNUHVTABOSYOEN-UHFFFAOYSA-N
-rxn:4:221393:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)c2)CC1,RTQRFJOGDZXTAJ-UHFFFAOYSA-N
-rxn:4:221393:225461,Cc1cc(N2CCCCC2)ccc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,QWBPLJBRFONIGB-UHFFFAOYSA-N
-rxn:4:221404:222546,CN(C)c1nccc(N2CCN(Cc3cccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)n1,UEALQHCGEZTSDZ-UHFFFAOYSA-N
-rxn:4:221408:222632,CN(C)c1ccnc(N2CCN(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)n1,RKURZTSCSWLKCW-UHFFFAOYSA-N
-rxn:4:221413:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1,YAECGFGXKWJBIC-UHFFFAOYSA-N
-rxn:4:221415:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N(C)C)n5)CC4)cc3)cc2)CC1,XSCQAACLYWQLKV-UHFFFAOYSA-N
-rxn:4:221423:224612,c1ccc(-c2ccc(OCCN3CCOCC3)cc2)c(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,XHJFRWCXRZSCHL-UHFFFAOYSA-N
-rxn:4:221425:225723,CN(C)CCOc1ccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc1Cl,CUCQVBPPHASQGR-UHFFFAOYSA-N
-rxn:4:221428:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,RIMGMUFOLKHDPN-UHFFFAOYSA-N
-rxn:4:221428:224612,c1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1,BFKJXEVQUVSHKR-UHFFFAOYSA-N
-rxn:4:221433:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)cc3)ccc2F)CC1,VTPCQSBVHUEHRF-UHFFFAOYSA-N
-rxn:4:221434:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,PXHPEDFOVWNZOQ-UHFFFAOYSA-N
-rxn:4:221446:222632,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)n1,IMTVJRPACDKUFR-UHFFFAOYSA-N
-rxn:4:221455:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,WEFWBNGDRGTMDC-UHFFFAOYSA-N
-rxn:4:221456:228224,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C)c4Cl)cc3)CC2)n1,NPXAYRKVYDKTGH-UHFFFAOYSA-N
-rxn:4:221495:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4[nH]cc(C(=O)C(=O)N5CCN(c6ncccn6)CC5)c4c3)c2)CC1,QRSVNPIFRFGBJW-UHFFFAOYSA-N
-rxn:4:221503:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(c5cnc6ccccc6n5)CC4)nc3)cc2F)CC1,NVECKGRNWMIHGU-UHFFFAOYSA-N
-rxn:4:221528:222684,CC(C)c1sc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HOGPFHAVYLLEQP-UHFFFAOYSA-N
-rxn:4:221546:223960,CCN1CCN(C(=O)c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CC(=O)OC)c(=O)n4C)cc3)ccc2F)CC1,XHRCJNMCBTYLQV-UHFFFAOYSA-N
-rxn:4:221667:223755,CC1CCN(CCCOc2ccc(-c3cnn(CC4CN(c5ncnc6c5CCC6)C4)c3)cc2F)CC1,JTZQZVXMSUEXJS-UHFFFAOYSA-N
-rxn:4:221728:222632,Cn1nc(C2CCN(c3nc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4s3)CC2)n(C2CC2)c1=O,KVFUIFPAMSWJLL-UHFFFAOYSA-N
-rxn:4:221913:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)CSc2nnnn2C)CC1,GTGMRTNOMNXXIY-UHFFFAOYSA-N
-rxn:4:221947:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccc(F)cc4)CC3)o2)cc1OCCCN1CCN(C)CC1,BNCKZIANYWITLN-UHFFFAOYSA-N
-rxn:4:221960:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C(=O)N3CCC(n4cc(-c5nc(C6CC6)no5)nn4)CC3)c2)c1,JDBCIWZEDODEBM-UHFFFAOYSA-N
-rxn:4:221965:223755,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cc4)CC3)nn2)CC1,IBIQMZYSVXRPOJ-UHFFFAOYSA-N
-rxn:4:221966:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4csc(N5CCN(c6ccc([N+](=O)[O-])c(-n7nc(C)cc7C)c6)CC5)n4)cc3)c(F)c2)CC1,PSARMQUBHLBEEW-UHFFFAOYSA-N
-rxn:4:221975:225145,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,UHNLLYKDECBHGI-UHFFFAOYSA-N
-rxn:4:221976:223697,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6C(F)(F)F)c5)no4)C3C2=O)cc1,OZEDCKOHKCZSHC-UHFFFAOYSA-N
-rxn:4:221976:224612,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCN7CCOCC7)cc6)c5)no4)C3C2=O)cc1,FSSLYOPWRSELHP-UHFFFAOYSA-N
-rxn:4:221982:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,SGHRJEZDKCJSDC-UHFFFAOYSA-N
-rxn:4:221982:224612,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,PBBKHBWHKWTSAE-UHFFFAOYSA-N
-rxn:4:221989:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN(C)C)c(C)cn56)n(C)c4=O)cc3)c2)CC1,LEAVIIZYQITTCK-UHFFFAOYSA-N
-rxn:4:222009:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc1,ABBSQMXNEFZOBQ-UHFFFAOYSA-N
-rxn:4:222013:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)cc3)cc2F)CC1,IWOAYBFHSGRIHW-UHFFFAOYSA-N
-rxn:4:222031:225671,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCCCC4)ncc3F)CC2)n1,YWPKQBCPMKHKBX-UHFFFAOYSA-N
-rxn:4:222035:223895,CCN1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)c3)cc2)CC1,FHULAIGJYSSCTF-UHFFFAOYSA-N
-rxn:4:222044:223697,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cc4)CC3)nn2)n1,JKHNSYZKECTEHX-UHFFFAOYSA-N
-rxn:4:222051:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ccc(-n6nc(C)cc6C)nn5)CC4)cc3)c(F)cc2C)CC1,UEZHAUUYDHQBBV-UHFFFAOYSA-N
-rxn:4:222062:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,BPZIRRCQWCJDQM-QVYRIUEQSA-N
-rxn:4:222083:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccccc6)C(=O)C54)n3)c2)c1,OIOKEJLDNPOFJK-UHFFFAOYSA-N
-rxn:4:222084:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccccc7)C(=O)C65)n4)cc3)c2)CC1,HKRCVKBVGUUCCR-UHFFFAOYSA-N
-rxn:4:222088:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)c2)c1,CQAMRMAZJYDLBF-UHFFFAOYSA-N
-rxn:4:222097:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(COc5ccc6nc(C)cn6n5)CC4)nc3)cc2)CC1,SRUKIKPQSXKNGH-UHFFFAOYSA-N
-rxn:4:222107:224485,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)c5)no4)C3C2=O)cc1F,CBBPPAIZURHBPB-UHFFFAOYSA-N
-rxn:4:222108:222395,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1F,CYNAWAZFLJMNLQ-UHFFFAOYSA-N
-rxn:4:222108:222398,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)NC7CC7)c(C)c6)cc5)no4)C3C2=O)cc1F,RGXYZMPTQQIEEQ-UHFFFAOYSA-N
-rxn:4:222108:222403,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=S)NC(C)C)c6)cc5)no4)C3C2=O)cc1F,JFPYOVXKGKCSHY-UHFFFAOYSA-N
-rxn:4:222108:222429,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)c7ccc(F)cc7C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1F,KQJQKZCGTVZTMA-UHFFFAOYSA-N
-rxn:4:222108:222452,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(NC(=O)OCc7ccccc7)c6)cc5)no4)C3C2=O)cc1F,NTPIIONCOUQCBQ-UHFFFAOYSA-N
-rxn:4:222108:222459,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)Nc7ccc([N+](=O)[O-])cc7)ccc6F)cc5)no4)C3C2=O)cc1F,VRVTZTGJJFRJIM-UHFFFAOYSA-N
-rxn:4:222108:222466,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,RDQGQLSNRHIFSP-UHFFFAOYSA-N
-rxn:4:222108:222538,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,SODRGGARDPSQHO-UHFFFAOYSA-N
-rxn:4:222108:222581,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)C)c7ccccc67)cc5)no4)C3C2=O)cc1F,IIHBRFBNGAAYKT-UHFFFAOYSA-N
-rxn:4:222108:222584,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,MNAJRDLPJJPRIX-UHFFFAOYSA-N
-rxn:4:222108:222684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,LUZVVYMJKGRPSF-UHFFFAOYSA-N
-rxn:4:222108:222698,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,COETWRQOYICOQP-UHFFFAOYSA-N
-rxn:4:222108:222702,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,CJSLTLKAAYGZAO-UHFFFAOYSA-N
-rxn:4:222108:222717,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(F)cc6S(=O)(=O)NC(C)(C)C)cc5)no4)C3C2=O)cc1F,QKVVMUWFKHMKJB-UHFFFAOYSA-N
-rxn:4:222108:222729,CCCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,CYUHJBZIUYPIQA-UHFFFAOYSA-N
-rxn:4:222108:222741,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,MMIFWZZQNHWFFJ-UHFFFAOYSA-N
-rxn:4:222108:222743,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1F,MCCSHQKLGTZHHO-UHFFFAOYSA-N
-rxn:4:222108:222744,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CNC(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,UWJKQJBHGDAVMR-UHFFFAOYSA-N
-rxn:4:222108:222745,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,MUYMAOPCFXQBJT-UHFFFAOYSA-N
-rxn:4:222108:222780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1F,PEOAGMGTZKHICV-UHFFFAOYSA-N
-rxn:4:222108:222801,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,FLQOIUYLKDOGFV-UHFFFAOYSA-N
-rxn:4:222108:222804,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC7CCS(=O)(=O)CC7)cc6)cc5)no4)C3C2=O)cc1F,IUKCPDXVPYRZOM-UHFFFAOYSA-N
-rxn:4:222108:222805,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1F,RZCKUNDJQWGJCH-UHFFFAOYSA-N
-rxn:4:222108:222816,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)C,MEUCEEIKFQEFMN-UHFFFAOYSA-N
-rxn:4:222108:222837,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CC(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,FFWUXZXWCANOAA-UHFFFAOYSA-N
-rxn:4:222108:222849,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1F,CORDMVHMFMQMKY-UHFFFAOYSA-N
-rxn:4:222108:222851,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,BLBKOILXAAPMOE-UHFFFAOYSA-N
-rxn:4:222108:222852,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1F,SPZRTVZCJJYMDY-UHFFFAOYSA-N
-rxn:4:222108:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XPXCJDGUIFBHFD-UHFFFAOYSA-N
-rxn:4:222108:222855,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,UNDWEESDPZHWDU-UHFFFAOYSA-N
-rxn:4:222108:222857,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)c1,PACPMJWKYUFIKQ-UHFFFAOYSA-N
-rxn:4:222108:222875,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)(C)C)ccc6F)cc5)no4)C3C2=O)cc1F,WBSLUQXYGHOLIK-UHFFFAOYSA-N
-rxn:4:222108:222877,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1F,PCUWALRLSBJOBY-UHFFFAOYSA-N
-rxn:4:222108:222884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,UUANTRHRKKLNOA-UHFFFAOYSA-N
-rxn:4:222108:222889,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,DRQJLHFKRLFGEJ-UHFFFAOYSA-N
-rxn:4:222108:222890,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,GCRGXHOZNQBHSG-UHFFFAOYSA-N
-rxn:4:222108:222891,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,GXEWAVYFVBLJRD-UHFFFAOYSA-N
-rxn:4:222108:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XBJQLDZHLMDKBJ-UHFFFAOYSA-N
-rxn:4:222108:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,GHHMARBRBJUAFE-UHFFFAOYSA-N
-rxn:4:222108:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,YQIQMPKWKJKNDI-UHFFFAOYSA-N
-rxn:4:222108:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(Cl)c1,WETJNLDILJVFTA-UHFFFAOYSA-N
-rxn:4:222108:222925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HPWCQBZSAHVMPN-UHFFFAOYSA-N
-rxn:4:222108:222944,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)cc6F)cc5)no4)C3C2=O)cc1F,IARPAOBRCBNMSK-UHFFFAOYSA-N
-rxn:4:222108:222957,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,AYVPZIKTNOKQGP-UHFFFAOYSA-N
-rxn:4:222108:222967,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC(C)C)c6)cc5)no4)C3C2=O)cc1F,APVLNJQLPLVZBR-UHFFFAOYSA-N
-rxn:4:222108:222976,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(C)c6)cc5)no4)C3C2=O)cc1F,YJSKBLHLTCEGBD-UHFFFAOYSA-N
-rxn:4:222108:222984,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)C7)cc6)cc5)no4)C3C2=O)cc1F,WIZAXJNLYSUDHN-UHFFFAOYSA-N
-rxn:4:222108:222989,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C)cc5)no4)C3C2=O)cc1F,LUBNYIGKVLFUKP-UHFFFAOYSA-N
-rxn:4:222108:222994,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1F,BXPBVZGMFDVBDZ-UHFFFAOYSA-N
-rxn:4:222108:222998,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,HIPGSOOZMCUKKT-UHFFFAOYSA-N
-rxn:4:222108:223000,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCNC7)c(F)c6)cc5)no4)C3C2=O)cc1F,QVIKGMSIXCMLTQ-UHFFFAOYSA-N
-rxn:4:222108:223006,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,UKQHNNQVZNUUEU-UHFFFAOYSA-N
-rxn:4:222108:223019,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCC#N)c6)cc5)no4)C3C2=O)cc1F,QRZZVBOJLYFRLU-UHFFFAOYSA-N
-rxn:4:222108:223020,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCC#N)cc6)cc5)no4)C3C2=O)cc1F,ANQRJNSDXZPRCN-UHFFFAOYSA-N
-rxn:4:222108:223021,COCCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,WRHQXIZQQSKTLO-UHFFFAOYSA-N
-rxn:4:222108:223022,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,XONGHCRPHCRDHX-UHFFFAOYSA-N
-rxn:4:222108:223024,CCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1F,XLBKOQZZPIFTPY-UHFFFAOYSA-N
-rxn:4:222108:223030,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)OC(C)C)c6)cc5)no4)C3C2=O)cc1F,TUFFZHKWRCOQMB-UHFFFAOYSA-N
-rxn:4:222108:223031,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(OC)c1,JBSKOIPHMZVWNV-UHFFFAOYSA-N
-rxn:4:222108:223046,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1F,UYLFJZDBSNPMIY-UHFFFAOYSA-N
-rxn:4:222108:223050,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1F,SFZGMROEMZGANS-UHFFFAOYSA-N
-rxn:4:222108:223052,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)C)c6F)cc5)no4)C3C2=O)cc1F,YJLFWFMRYBPUTA-UHFFFAOYSA-N
-rxn:4:222108:223054,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O)C7)s6)cc5)no4)C3C2=O)cc1F,WZXBMURKNKHBSU-UHFFFAOYSA-N
-rxn:4:222108:223057,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,DAMKWJHGBRSPJB-UHFFFAOYSA-N
-rxn:4:222108:223059,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,ZCMCGOOJLKPYEN-UHFFFAOYSA-N
-rxn:4:222108:223061,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ncc6F)cc5)no4)C3C2=O)cc1F,QLSVIOMUUNAHAH-UHFFFAOYSA-N
-rxn:4:222108:223075,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NS(=O)(=O)C7CC7)cc6)cc5)no4)C3C2=O)cc1F,JXCFJVWICUOPOI-UHFFFAOYSA-N
-rxn:4:222108:223084,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1F,ADZDMFDHCDFVFT-UHFFFAOYSA-N
-rxn:4:222108:223106,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)C7)nc6Cl)cc5)no4)C3C2=O)cc1F,ZBVCXDCPDMHIGS-UHFFFAOYSA-N
-rxn:4:222108:223107,COc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1NS(C)(=O)=O,RIHIFJOVNIBRAA-UHFFFAOYSA-N
-rxn:4:222108:223684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1F,QWFFUEGHXZVHKH-UHFFFAOYSA-N
-rxn:4:222108:223690,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cn1S(=O)(=O)c1ccc(C)cc1,JPERTIGTJXVVLJ-UHFFFAOYSA-N
-rxn:4:222108:223844,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,GCIQSLZVDNMPCL-UHFFFAOYSA-N
-rxn:4:222108:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,KIKGWXKSTSUBQM-WQUQJQQHSA-N
-rxn:4:222108:223867,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCCN7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1F,JCPVAHLFMDQFQK-UHFFFAOYSA-N
-rxn:4:222108:223926,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6)cc5)no4)C3C2=O)cc1F,YGRVCIXTBUMLFL-UHFFFAOYSA-N
-rxn:4:222108:223929,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1F,DSPCSEOQXMZADG-UHFFFAOYSA-N
-rxn:4:222108:223977,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,AVUNRDWCIZZOLC-UHFFFAOYSA-N
-rxn:4:222108:223995,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCN(C)CC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,CKDCXVZBQYMODK-UHFFFAOYSA-N
-rxn:4:222108:223999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCC(C)CC7)ccc6F)cc5)no4)C3C2=O)cc1F,ICYWIWOSNPECMB-UHFFFAOYSA-N
-rxn:4:222108:224009,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCOCC1,QKJQCEJJJGZEGD-UHFFFAOYSA-N
-rxn:4:222108:224011,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,USQPCHVGLQXJMP-UHFFFAOYSA-N
-rxn:4:222108:224080,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCCCC7)cc6)cc5)no4)C3C2=O)cc1F,WIDOAVPLJJOUDR-UHFFFAOYSA-N
-rxn:4:222108:224128,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C7CCCCC7)cc6)cc5)no4)C3C2=O)cc1F,YIMHEHXGEQQUDP-UHFFFAOYSA-N
-rxn:4:222108:224164,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(cnn7C7CCCCO7)cc6C)cc5)no4)C3C2=O)cc1F,HDIVQIKNIJWXJX-UHFFFAOYSA-N
-rxn:4:222108:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,HZZDKFMHXDQADQ-UHFFFAOYSA-N
-rxn:4:222108:224187,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1F,LUCZQYCLWBGDFM-UHFFFAOYSA-N
-rxn:4:222108:224197,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2F)CC1,NMZIAACDARTJRO-UHFFFAOYSA-N
-rxn:4:222108:224247,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC(C)CC7)cc6F)cc5)no4)C3C2=O)cc1F,CNOWDKUEFZWSKO-UHFFFAOYSA-N
-rxn:4:222108:224251,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC(C)C7)cc6F)cc5)no4)C3C2=O)cc1F,NFENAZXPPHKTMO-UHFFFAOYSA-N
-rxn:4:222108:224257,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7C)ccc6Cl)cc5)no4)C3C2=O)cc1F,YWPIVBVGCNNOBG-UHFFFAOYSA-N
-rxn:4:222108:224267,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC8(CC7)OCCO8)c6)cc5)no4)C3C2=O)cc1F,DKNGOKHXQJWBKW-UHFFFAOYSA-N
-rxn:4:222108:224291,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,XESSGHJODKFRHL-UHFFFAOYSA-N
-rxn:4:222108:224312,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,LXAWWDPVVRMPFP-UHFFFAOYSA-N
-rxn:4:222108:224316,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,OVTQSDGWUMAKBX-UHFFFAOYSA-N
-rxn:4:222108:224318,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,TUEOSSXXAZYNNM-UHFFFAOYSA-N
-rxn:4:222108:224319,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6C)cc5)no4)C3C2=O)cc1F,KILSCARIVUKZIF-UHFFFAOYSA-N
-rxn:4:222108:224327,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCC(C)C7)c6)cc5)no4)C3C2=O)cc1F,ISMACWHMFFVBES-UHFFFAOYSA-N
-rxn:4:222108:224360,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)n1C(=O)OC(C)(C)C,NWRODBLAVJZBJH-UHFFFAOYSA-N
-rxn:4:222108:224377,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,BQMRDOHHURAYOX-UHFFFAOYSA-N
-rxn:4:222108:224395,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCOCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,CCHXOECNJIQIQE-UHFFFAOYSA-N
-rxn:4:222108:224398,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCCC7)c(C)cc6F)cc5)no4)C3C2=O)cc1F,UEZFGRJWHVBASE-UHFFFAOYSA-N
-rxn:4:222108:224399,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,DVJORBWJPSOKIV-UHFFFAOYSA-N
-rxn:4:222108:224401,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,AOOCHGNAZICEKU-UHFFFAOYSA-N
-rxn:4:222108:224403,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,SSMKEKQHKDGRJZ-UHFFFAOYSA-N
-rxn:4:222108:224570,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,GNXXYUOUKBRVPT-UHFFFAOYSA-N
-rxn:4:222108:224571,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1F,SBRKTSYGUNRNQW-UHFFFAOYSA-N
-rxn:4:222108:224613,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,RVLYGUNZMPJYFZ-UHFFFAOYSA-N
-rxn:4:222108:224615,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,PFTYIVRWHNEBFZ-UHFFFAOYSA-N
-rxn:4:222108:224627,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CC(N(C)C)C7)cc6)cc5)no4)C3C2=O)cc1F,YHMHDCSLFJWXOM-UHFFFAOYSA-N
-rxn:4:222108:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,JMNANKMTPPZBJJ-UHFFFAOYSA-N
-rxn:4:222108:224634,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1CN1CCOCC1,MSNCHSHRYUVAHY-UHFFFAOYSA-N
-rxn:4:222108:224658,CC(=O)N1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,IAIMJRCPZQTGRA-UHFFFAOYSA-N
-rxn:4:222108:224659,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,NAWOKMNKPSFATK-UHFFFAOYSA-N
-rxn:4:222108:224660,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,RIXWWJAXPJCATF-UHFFFAOYSA-N
-rxn:4:222108:224667,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(CN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,HZTBOEAORBITOZ-UHFFFAOYSA-N
-rxn:4:222108:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,VBIQSBUHTQTMEP-UHFFFAOYSA-N
-rxn:4:222108:224716,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C)C(=O)OC(C)(C)C)nc6)cc5)no4)C3C2=O)cc1F,PIEDLILUZMRSJI-UHFFFAOYSA-N
-rxn:4:222108:224718,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)nc6)cc5)no4)C3C2=O)cc1F,QPEWOICWOLOFAB-UHFFFAOYSA-N
-rxn:4:222108:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,TVFTVHOBHCASAV-UHFFFAOYSA-N
-rxn:4:222108:224766,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,MDXNDSXKDQLZDM-UHFFFAOYSA-N
-rxn:4:222108:224780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,SIPDIGYOUMGUBE-UHFFFAOYSA-N
-rxn:4:222108:224781,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,SDJOTDJWIDJPTP-UHFFFAOYSA-N
-rxn:4:222108:224782,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,DJGWMCVYTKOHEH-UHFFFAOYSA-N
-rxn:4:222108:224790,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1OC(F)(F)F,YWCVIBBWKZLHML-UHFFFAOYSA-N
-rxn:4:222108:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,MQZDQMHJLQMGBJ-UHFFFAOYSA-N
-rxn:4:222108:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1F,DNMFQASSRXNYQA-UHFFFAOYSA-N
-rxn:4:222108:224802,COC(OC)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,MSPVCXWNXYPSGV-UHFFFAOYSA-N
-rxn:4:222108:224810,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,VRWCTVBLYYPWBL-UHFFFAOYSA-N
-rxn:4:222108:224811,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1F,RNJXGXHCEGEUCV-UHFFFAOYSA-N
-rxn:4:222108:224824,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7OCCO7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,FRKRTOVZUWQJAA-UHFFFAOYSA-N
-rxn:4:222108:224890,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,ZYEHNTPNLYXTGW-UHFFFAOYSA-N
-rxn:4:222108:224934,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCC7)c6)cc5)no4)C3C2=O)cc1F,UXAFPHGKDNGFGP-UHFFFAOYSA-N
-rxn:4:222108:224936,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1F,RGXBKAKGFOKKDN-UHFFFAOYSA-N
-rxn:4:222108:224941,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,UVLWMWJKZQIYTR-UHFFFAOYSA-N
-rxn:4:222108:224949,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1CN1CCCC1,RHBXKVSTDDKUKG-UHFFFAOYSA-N
-rxn:4:222108:224952,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,CGLZWOFKAFLYSL-UHFFFAOYSA-N
-rxn:4:222108:224963,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,ISLOSNKFEDWPET-UHFFFAOYSA-N
-rxn:4:222108:224971,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,CLRNDVNNHLQMHP-UHFFFAOYSA-N
-rxn:4:222108:224977,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1F,ONLZQWQIJYFJPC-UHFFFAOYSA-N
-rxn:4:222108:224997,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6)cc5)no4)C3C2=O)cc1F,XQLSIZSHUGNMFH-UHFFFAOYSA-N
-rxn:4:222108:224999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,NMJGYZPRWQZGGS-UHFFFAOYSA-N
-rxn:4:222108:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,HAHLWMLXXPSHMM-UHFFFAOYSA-N
-rxn:4:222108:225005,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,WKNGWHKFGRPDLV-UHFFFAOYSA-N
-rxn:4:222108:225010,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCCCC7)c6)cc5)no4)C3C2=O)cc1F,OCZZGXWYNDBGCR-UHFFFAOYSA-N
-rxn:4:222108:225086,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1F,YCGHLHUYIPGGQX-UHFFFAOYSA-N
-rxn:4:222108:225088,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1OCCN(C)C,YDLNOXQVMRKPGE-UHFFFAOYSA-N
-rxn:4:222108:225156,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1F,RHUXFTPOKYBWIQ-UHFFFAOYSA-N
-rxn:4:222108:225159,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,UVTITZIEHPCZLV-UHFFFAOYSA-N
-rxn:4:222108:225161,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,ZMEDLDUUINDQCX-UHFFFAOYSA-N
-rxn:4:222108:225165,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1N1CCOCC1,GQBGCELIVRBKDF-UHFFFAOYSA-N
-rxn:4:222108:225168,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,IHEAFHIBEDKDAR-UHFFFAOYSA-N
-rxn:4:222108:225171,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,XQESZGLBQUGLKC-UHFFFAOYSA-N
-rxn:4:222108:225172,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCOCC7)ccc6F)cc5)no4)C3C2=O)cc1F,BAVRVWAENJCMPY-UHFFFAOYSA-N
-rxn:4:222108:225176,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,VGJIFJIWWANQDZ-UHFFFAOYSA-N
-rxn:4:222108:225177,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCSCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,CBQKMOFSHSXHEE-UHFFFAOYSA-N
-rxn:4:222108:225188,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,AJJPQHKPHRAIHI-UHFFFAOYSA-N
-rxn:4:222108:225195,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(OC7CCCCO7)c6)cc5)no4)C3C2=O)cc1F,YARIVHATRXEUEB-UHFFFAOYSA-N
-rxn:4:222108:225213,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6Cl)cc5)no4)C3C2=O)cc1F,QMIVDCSQQWBQAB-UHFFFAOYSA-N
-rxn:4:222108:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1F,HJBFASFBPYSFID-UHFFFAOYSA-N
-rxn:4:222108:225265,CCCCOc1c(F)cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,XWMPSHWKVGNNCP-UHFFFAOYSA-N
-rxn:4:222108:225275,COCCOc1c(F)c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,IAXNWURPELUTCS-UHFFFAOYSA-N
-rxn:4:222108:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,HQHRULLCCLELFM-UHFFFAOYSA-N
-rxn:4:222108:225292,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,YGIUEXIBLIYZIN-UHFFFAOYSA-N
-rxn:4:222108:225318,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,XIABREUYRNTSMO-UHFFFAOYSA-N
-rxn:4:222108:225342,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1F,UYKBTHLFHPGHDM-UHFFFAOYSA-N
-rxn:4:222108:225346,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N(C)C,YWHQXTQQONZZJG-UHFFFAOYSA-N
-rxn:4:222108:225358,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,FBUVFKBZGMXGEM-UHFFFAOYSA-N
-rxn:4:222108:225364,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N(C)C)c(C)cc6F)cc5)no4)C3C2=O)cc1F,FDBUMQQDVMYRCA-UHFFFAOYSA-N
-rxn:4:222108:225437,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCCCC7)c6)cc5)no4)C3C2=O)cc1F,WRTIDTQKGPYLOP-UHFFFAOYSA-N
-rxn:4:222108:225472,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1F,GTRKUROVVHATSU-UHFFFAOYSA-N
-rxn:4:222108:225515,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7c6OCC(C)(C)CO7)cc5)no4)C3C2=O)cc1F,VMHXMNPPCSTDEN-UHFFFAOYSA-N
-rxn:4:222108:225516,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)cc6)cc5)no4)C3C2=O)cc1F,XULRXOWCMAOSCJ-UHFFFAOYSA-N
-rxn:4:222108:225522,CCCCOc1cc(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,UOHPSZIZNNSMFM-UHFFFAOYSA-N
-rxn:4:222108:225523,CCOC(=O)CCc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,MXCHKJIJSVXPOE-UHFFFAOYSA-N
-rxn:4:222108:225532,CCN(CC)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,DQCQDTVAQBUMFX-UHFFFAOYSA-N
-rxn:4:222108:225557,COC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,UEXYBKOAINEDBW-UHFFFAOYSA-N
-rxn:4:222108:225591,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1F,RDEMHJIKSXJRTK-UHFFFAOYSA-N
-rxn:4:222108:225593,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1F,SMXWQBFKQAJUFT-UHFFFAOYSA-N
-rxn:4:222108:225596,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1F,HRHLPERLGOCSBF-UHFFFAOYSA-N
-rxn:4:222108:225601,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C#N)CCC7)cc6F)cc5)no4)C3C2=O)cc1F,USJPCESVKDDBRS-UHFFFAOYSA-N
-rxn:4:222108:225602,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7(C#N)CCC7)ccc6F)cc5)no4)C3C2=O)cc1F,YQDIYODUUGNLDS-UHFFFAOYSA-N
-rxn:4:222108:225603,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C#N)CCC7)c6F)cc5)no4)C3C2=O)cc1F,YWMRHAAQCITKJP-UHFFFAOYSA-N
-rxn:4:222108:225623,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,YQZPBHOVHWTJCS-UHFFFAOYSA-N
-rxn:4:222108:225632,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,ZULSPHCBNPZNSC-UHFFFAOYSA-N
-rxn:4:222108:225640,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1F,IAZMIZMTVOLFPZ-UHFFFAOYSA-N
-rxn:4:222108:225641,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCC(C)C7)c6)cc5)no4)C3C2=O)cc1F,LPBZQHFZCZOPCU-UHFFFAOYSA-N
-rxn:4:222108:225684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOCC7)nc6C)cc5)no4)C3C2=O)cc1F,RGIQBUCLVDYHJG-UHFFFAOYSA-N
-rxn:4:222108:225714,CCOCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1Cl,JJENWXAZAVGAPI-UHFFFAOYSA-N
-rxn:4:222108:225716,COCCOCc1cc(F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,LSOWAZZRKLPPAP-UHFFFAOYSA-N
-rxn:4:222108:225718,COC(COc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1)OC,XJAZXHROQGYKNP-UHFFFAOYSA-N
-rxn:4:222108:225732,CCOC(=O)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1F,JALULQZDMQMFBD-UHFFFAOYSA-N
-rxn:4:222108:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,RIFBKQOFXLTFCZ-UHFFFAOYSA-N
-rxn:4:222108:225750,CCN(CC)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(F)c1F,RUIZBATUZHZXMY-UHFFFAOYSA-N
-rxn:4:222108:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XVOLLLWAENPRIJ-UHFFFAOYSA-N
-rxn:4:222108:225763,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C)cc1OC,VEEBBFWULHLYGZ-UHFFFAOYSA-N
-rxn:4:222108:225770,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(OCC7CC7)cc6F)cc5)no4)C3C2=O)cc1F,LNDCIGNXOAQFEY-UHFFFAOYSA-N
-rxn:4:222108:225775,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(OC)c1C,DIEONJSODHLMSN-UHFFFAOYSA-N
-rxn:4:222108:225811,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C(F)(F)F)CC7)cc6)cc5)no4)C3C2=O)cc1F,IMMPVKGINIDCRP-UHFFFAOYSA-N
-rxn:4:222108:225814,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C(F)(F)F)CC7)c6)cc5)no4)C3C2=O)cc1F,XYMIZPSIEJJVKU-UHFFFAOYSA-N
-rxn:4:222108:225820,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C7CC7)cccc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,BNDVVQCNTLAWEB-UHFFFAOYSA-N
-rxn:4:222108:225831,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)c(C)c6)cc5)no4)C3C2=O)cc1F,WVQNUXCSGPEQFD-UHFFFAOYSA-N
-rxn:4:222108:225833,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCCC7)c6F)cc5)no4)C3C2=O)cc1F,DPQMEVPUVVGIID-UHFFFAOYSA-N
-rxn:4:222108:225849,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1F,YVSUQOOMWSGBMF-UHFFFAOYSA-N
-rxn:4:222108:225872,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,OKPCXQFTZCJUDR-UHFFFAOYSA-N
-rxn:4:222108:225878,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,XVQMUARWFIOELD-UHFFFAOYSA-N
-rxn:4:222108:225902,CON(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1F,YAMBZCVDPYNBSI-UHFFFAOYSA-N
-rxn:4:222108:225912,CCCOc1c(F)cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,YXRBSWAYFGQYSY-UHFFFAOYSA-N
-rxn:4:222108:225917,CCOC(=O)c1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,ZAQVNPMGHXMIHR-UHFFFAOYSA-N
-rxn:4:222108:225920,Cc1ccc(OCC(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,FGUFXXXPKVXKKE-UHFFFAOYSA-N
-rxn:4:222108:225926,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC7)cc6)cc5)no4)C3C2=O)cc1F,QVUXJBFKSHQTEU-UHFFFAOYSA-N
-rxn:4:222108:225927,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6N(C)C)cc5)no4)C3C2=O)cc1F,NZWGGMPEGHAFSD-UHFFFAOYSA-N
-rxn:4:222108:225932,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,JEZNIXSOGVUNDD-UHFFFAOYSA-N
-rxn:4:222108:225933,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,CTPUZKGSGKFRCP-UHFFFAOYSA-N
-rxn:4:222108:225936,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cnc6C(C)C)cc5)no4)C3C2=O)cc1F,RWIPSOMNQXRYMC-UHFFFAOYSA-N
-rxn:4:222108:225942,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HRCCRNBQOXICBF-UHFFFAOYSA-N
-rxn:4:222108:225947,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1F,WSXTWRUSEUUHIS-UHFFFAOYSA-N
-rxn:4:222108:225975,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCOCC7)c6Cl)cc5)no4)C3C2=O)cc1F,UQCIDEPOAKMSSP-UHFFFAOYSA-N
-rxn:4:222108:225976,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCOCC7)c6F)cc5)no4)C3C2=O)cc1F,XMQBNBHQYXBGKJ-UHFFFAOYSA-N
-rxn:4:222108:225980,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCOCC7)ncc6F)cc5)no4)C3C2=O)cc1F,XEYZPNJBAWHYCZ-UHFFFAOYSA-N
-rxn:4:222108:225987,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCS7(=O)=O)cc6)cc5)no4)C3C2=O)cc1F,HWPZAEGVNQHGBX-UHFFFAOYSA-N
-rxn:4:222108:225993,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1[N+](=O)[O-],XMIVSVLUFAFUPA-UHFFFAOYSA-N
-rxn:4:222108:225994,CCSc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,HIYMQPMEPLNBDN-UHFFFAOYSA-N
-rxn:4:222108:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,LFOVWMKLNCNTAV-UHFFFAOYSA-N
-rxn:4:222108:225999,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,MTPFKTQYNIHBFF-UHFFFAOYSA-N
-rxn:4:222108:226011,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OCC(F)(F)F)cc5)no4)C3C2=O)cc1F,TYPFKLOWZLKFBT-UHFFFAOYSA-N
-rxn:4:222108:226041,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c([N+](=O)[O-])cccc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,JWDTVKHIZWCISY-UHFFFAOYSA-N
-rxn:4:222108:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,UNMXVFXIIFKQET-UHFFFAOYSA-N
-rxn:4:222108:226046,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C(F)(F)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,VNSSPDHLZGUELX-UHFFFAOYSA-N
-rxn:4:222108:226048,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ccc(F)c6OC(F)(F)F)cc5)no4)C3C2=O)cc1F,RSTTZYQSKDVROK-UHFFFAOYSA-N
-rxn:4:222108:226052,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ccc(OC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1F,JEQOVIMZKPOOPD-UHFFFAOYSA-N
-rxn:4:222108:226502,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccn(C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,NEVBARVBFLMSFS-UHFFFAOYSA-N
-rxn:4:222108:226571,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CC7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,ZIUWDORGAZPZIH-UHFFFAOYSA-N
-rxn:4:222108:226652,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)n(C2CCCCO2)n1,DCGLUAQHCWGSLC-UHFFFAOYSA-N
-rxn:4:222108:226831,CCCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,XMUWMRIDJFPDHD-UHFFFAOYSA-N
-rxn:4:222108:226896,COCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,XKPWZLXCPFCZTK-UHFFFAOYSA-N
-rxn:4:222120:222632,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCCC7)c6)cc5)no4)C3C2=O)cc1C,KYXWCGHSYCLHFJ-UHFFFAOYSA-N
-rxn:4:222120:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c(F)c2)CC1,OULIGUFIKDLCED-UHFFFAOYSA-N
-rxn:4:222123:225723,CN(C)CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)cc1Cl,OXUGUQKROACMQN-UHFFFAOYSA-N
-rxn:4:222124:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)c1,VLQFBHUUFSNGCX-UHFFFAOYSA-N
-rxn:4:222286:223753,Cc1ccc(-c2ccccc2C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1OCCCN1CCN(C)CC1,NWHODKWRDGFOPT-UHFFFAOYSA-N
-rxn:4:222288:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)cc2)CC1,GBLSAABMEAYNSK-UHFFFAOYSA-N
-rxn:4:222297:223755,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)o4)CC3)ncnc21,JBVSUBBHOWUSRC-UHFFFAOYSA-N
-rxn:4:222301:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5ccc6nnc(C)n6n5)C4)nc3)cc2)CC1,XZHUPGWLBARMSX-UHFFFAOYSA-N
-rxn:4:222313:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)cc3)ccc2F)CC1,CQIDOMPGINLRJK-UHFFFAOYSA-N
-rxn:4:222321:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccnc(N(C)C)n5)CC4)nc3)c(F)cc2C)CC1,QKPJEOFARQBCRF-UHFFFAOYSA-N
-rxn:4:222337:223062,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(C5CCNCC5)cc4F)cn3)CC2)n1,HZDSSFUSWGPNKM-UHFFFAOYSA-N
-rxn:4:222380:222514,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OC)c(S(=O)(=O)NC7CCCCC7)c6)cn5)CC4C3)ncnc21,QLIDKRVVDNWINF-UHFFFAOYSA-N
-rxn:4:222380:222546,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCNC7CCCCC7)c(F)c6)cn5)CC4C3)ncnc21,ROVZUXNOZKOTQM-UHFFFAOYSA-N
-rxn:4:222380:222589,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cn5)CC4C3)ncnc21,LOJPMZYWANKJFG-UHFFFAOYSA-N
-rxn:4:222380:222603,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(OC)c(NC(=O)OC(C)(C)C)cc6Cl)cn5)CC4C3)ncnc21,HVYDEPCZPZTQHO-UHFFFAOYSA-N
-rxn:4:222380:222636,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc([C@@H](C)NC(=O)OC(C)(C)C)cc6)cn5)CC4C3)ncnc21,AMVVDEAJVUGHRF-NNAHLOSHSA-N
-rxn:4:222380:222648,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(NC(=O)OC(C)(C)C)c(C)cc6C)cn5)CC4C3)ncnc21,XZEHGSSBNPPSKF-UHFFFAOYSA-N
-rxn:4:222380:222675,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(NC(=O)OC(C)(C)C)c(OC)c6)cn5)CC4C3)ncnc21,RQCLFVHNULAJIF-UHFFFAOYSA-N
-rxn:4:222380:222684,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cn5)CC4C3)ncnc21,WKRFZNMIURWWSS-UHFFFAOYSA-N
-rxn:4:222380:223489,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC(O[Si](C)(C)C(C)(C)C)CC7)cc6)cn5)CC4C3)ncnc21,AMMAKZMGBKPHMP-UHFFFAOYSA-N
-rxn:4:222380:223492,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(C)c6)cn5)CC4C3)ncnc21,CEUZTBJSPSYBDB-UHFFFAOYSA-N
-rxn:4:222380:223507,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccccc6S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cn5)CC4C3)ncnc21,NCYOPQYSFGRPLA-UHFFFAOYSA-N
-rxn:4:222380:223520,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(C)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cn5)CC4C3)ncnc21,INVGIRTZIAPMRA-UHFFFAOYSA-N
-rxn:4:222380:223522,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(F)cc(N7CCC(O[Si](C)(C)C(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,DVUSJGZFLSXTMR-UHFFFAOYSA-N
-rxn:4:222380:223531,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cn5)CC4C3)ncnc21,GWPUCVMMSQXFSE-UHFFFAOYSA-N
-rxn:4:222380:223539,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OC)c(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)cn5)CC4C3)ncnc21,AEQWCQAKNJIQBV-UHFFFAOYSA-N
-rxn:4:222380:223574,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,MQVKEMXOUAQNOO-UHFFFAOYSA-N
-rxn:4:222380:223595,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cn5)CC4C3)ncnc21,MEPFZTISFGCGKN-UHFFFAOYSA-N
-rxn:4:222380:223683,CCn1cnc2c(N3CC4CN(c5ncc(-c6cnc(OC7CCN(C(=O)OC(C)(C)C)C7)nc6)cn5)CC4C3)ncnc21,QBUCFANZIIXBIB-UHFFFAOYSA-N
-rxn:4:222380:223792,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N7CCC(C(=O)OC)CC7)cc6)cn5)CC4C3)ncnc21,QPHVSBYFNDYKRQ-UHFFFAOYSA-N
-rxn:4:222380:223814,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6F)cn5)CC4C3)ncnc21,KNRPEEHHMLQGFA-UHFFFAOYSA-N
-rxn:4:222380:223835,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(S(=O)(=O)N7CCC(C)CC7)c(C)cc6F)cn5)CC4C3)ncnc21,FELSGHBGAZAQLZ-UHFFFAOYSA-N
-rxn:4:222380:223838,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(S(=O)(=O)N(C)C)CC7)cc6)cn5)CC4C3)ncnc21,NWXOFVDIFQOWOO-UHFFFAOYSA-N
-rxn:4:222380:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2)CC1,CRCOHNPKGFDOMZ-UHFFFAOYSA-N
-rxn:4:222380:223893,CCN1CCN(CCOc2cccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c2)CC1,HTPAGBZQOFGHCW-UHFFFAOYSA-N
-rxn:4:222380:223894,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(OCCCN7CCN(C)CC7)c6)cn5)CC4C3)ncnc21,KINANDYQOHZXSZ-UHFFFAOYSA-N
-rxn:4:222380:223901,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCC(C)CC7)c(Cl)c6)cn5)CC4C3)ncnc21,VIJIXPHBYXBTDW-UHFFFAOYSA-N
-rxn:4:222380:223911,CCOC(=O)C1(c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2)CCOCC1,PEBRQSXDAMUEHY-UHFFFAOYSA-N
-rxn:4:222380:223917,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(F)cc(C(=O)N(C)C7CCCCC7)c6)cn5)CC4C3)ncnc21,FVJZEQMTGSWSFG-UHFFFAOYSA-N
-rxn:4:222380:223929,CCn1cnc2c(N3CC4CN(c5ncc(-c6cnc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cn5)CC4C3)ncnc21,DQGQZAWIVSROIR-UHFFFAOYSA-N
-rxn:4:222380:223940,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc7c(c6)OCCN7C(=O)OC(C)(C)C)cn5)CC4C3)ncnc21,AGZMJKBOTBSVKR-UHFFFAOYSA-N
-rxn:4:222380:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CC4CN(c5ncnc6c5ncn6CC)CC4C3)nc2)c(Cl)c1,QDFMLWOYYLAWDI-UHFFFAOYSA-N
-rxn:4:222380:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2)CC1,QVDCNSFVVXZFPC-MSSMWDAJSA-N
-rxn:4:222380:224065,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C7CC7)cc(N7CCC(C)CC7)c6)cn5)CC4C3)ncnc21,LIRFTBSHYYJCPD-UHFFFAOYSA-N
-rxn:4:222380:224125,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CN7CCN(C8CC8)CC7)cc6)cn5)CC4C3)ncnc21,QTKWHUZEENCZAP-UHFFFAOYSA-N
-rxn:4:222380:224160,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc7c(c6)CCN7C(=O)OC(C)(C)C)cn5)CC4C3)ncnc21,TURDMCOPCCZTOI-UHFFFAOYSA-N
-rxn:4:222380:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c2)CC1,LMJPPWVNMAPNBM-UHFFFAOYSA-N
-rxn:4:222380:224203,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N7CCCCC7)cc6OC)cn5)CC4C3)ncnc21,WABWHBDYMQBQBP-UHFFFAOYSA-N
-rxn:4:222380:224248,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N7CCC(C)CC7)c(Cl)c6)cn5)CC4C3)ncnc21,GUYQBFMLACFWHX-UHFFFAOYSA-N
-rxn:4:222380:224280,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc7c(s6)CCN(C(=O)OC(C)(C)C)C7)cn5)CC4C3)ncnc21,PHCGOVAESXNGDX-UHFFFAOYSA-N
-rxn:4:222380:224291,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCOCC7)c(F)c6)cn5)CC4C3)ncnc21,KDLHEFRDRMYJQI-UHFFFAOYSA-N
-rxn:4:222380:224322,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC(C)CC7)cc6)cn5)CC4C3)ncnc21,LQXRYKZUROYACB-UHFFFAOYSA-N
-rxn:4:222380:224355,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCC8(CC7)OCCO8)nc6)cn5)CC4C3)ncnc21,RVURNZGNEXUVKK-UHFFFAOYSA-N
-rxn:4:222389:217201,CC1CN(c2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC(C)O1,VOMMHROTPVRENI-UHFFFAOYSA-N
-rxn:4:222462:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1c(F)cc2nc(NC(=O)OC(C)(C)C)sc2c1F,CQDNYFAQHGXISA-UHFFFAOYSA-N
-rxn:4:222520:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1OC,FGBHESWIRZTHPJ-UHFFFAOYSA-N
-rxn:4:222521:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,LZFIVSNWZVJGIZ-UHFFFAOYSA-N
-rxn:4:222600:174603,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cc1)C2=O,WFFVHZOMIAKGFG-UHFFFAOYSA-N
-rxn:4:222611:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)cc1OC,IELCSTPEHMKNMP-UHFFFAOYSA-N
-rxn:4:222611:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1OC,NTLUZEQZRIVVEN-UHFFFAOYSA-N
-rxn:4:222651:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)NC2CCCCC2)ccc1F,WKHCAYJCXCVTRJ-UHFFFAOYSA-N
-rxn:4:222680:222380,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(NC(=O)OC(C)(C)C)c6OC)cn5)CC4C3)ncnc21,XQEQVCOVMPOTST-UHFFFAOYSA-N
-rxn:4:222971:187946,COc1ccc2c(c1-c1ccc(NC(=O)C(C)(C)C)cc1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,BNKJRYKRBDMILZ-QGZVFWFLSA-N
-rxn:4:223480:208410,Cc1cc(-c2ccnc(S(N)(=O)=O)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SHDWMOJLQVUYHI-UHFFFAOYSA-N
-rxn:4:223580:174009,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)C(C(C)=O)C(=O)OC)cc1)n2C(=O)OC(C)(C)C,WNPKLOFVJOSOMN-UHFFFAOYSA-N
-rxn:4:223641:178248,CCc1cc2c(cc1F)cc(-c1ccc(C3(C(=O)OC)CCOCC3)cc1)n2C(=O)OC(C)(C)C,JJDUKFDOSYYMNP-UHFFFAOYSA-N
-rxn:5:176857:225985:225834,COC(=O)c1cc(OC)c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cccc(N2CCCS2(=O)=O)c1,UKPCJLZEWXIHDT-UHFFFAOYSA-N
-rxn:5:177184:225634:225985,CCOC(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(C)c1-c1cnc(N2CCCCC2)c(C)c1,MCKOZHDYWDFQPY-UHFFFAOYSA-N
-rxn:5:177187:225833:225985,CCOC(=O)c1cc(C)cc(-c2ccnc(N3CCCCC3)c2F)c1-c1cccc(N2CCCS2(=O)=O)c1,XTZYQRMSHCDUTE-UHFFFAOYSA-N
-rxn:5:177190:225455:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,NLDZANXFQNKOAZ-UHFFFAOYSA-N
-rxn:5:177190:225455:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,XJBJSVKBNLDEKB-UHFFFAOYSA-N
-rxn:5:177190:225455:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,PNHAUUYPAXHEGX-UHFFFAOYSA-N
-rxn:5:177190:225461:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,SFTYGDVBLCXNHA-UHFFFAOYSA-N
-rxn:5:177190:225461:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,BBHFATTWVWIDIT-UHFFFAOYSA-N
-rxn:5:177190:225461:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,NCHJQBYQNHSNSZ-UHFFFAOYSA-N
-rxn:5:177190:225636:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,QVZBWXJJPRDXNC-UHFFFAOYSA-N
-rxn:5:177190:225638:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(C)CC3)nc2)c1,ZWZIVWTVLZAFSW-UHFFFAOYSA-N
-rxn:5:177190:225639:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccnc2N2CCC(C)CC2)c1,DUKWHVJPNRQSTL-UHFFFAOYSA-N
-rxn:5:177190:225639:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccnc2N2CCC(C)CC2)c1,FBTYOERSWBUSJN-UHFFFAOYSA-N
-rxn:5:177190:225655:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cncc(N3CCC(C)CC3)c2)c1,VKCIJKFANFTYPF-UHFFFAOYSA-N
-rxn:5:177190:225834:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(N3CCCCC3)ncc2F)c1,YBFOCHRIVDLGRZ-UHFFFAOYSA-N
-rxn:5:177190:225834:225986,CCS(=O)(=O)Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2cc(N3CCCCC3)ncc2F)c1,ZTJZDUSISZBECI-UHFFFAOYSA-N
-rxn:5:177190:225978:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(N3CCOCC3)nc2F)c1,ZPJRQSGKKNPMFD-UHFFFAOYSA-N
-rxn:5:177448:225833:225987,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(OC(C)C)c1-c1ccc(N2CCCS2(=O)=O)cc1,YJFZLVHFSLEBPD-UHFFFAOYSA-N
-rxn:5:177732:226059:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(C(C)C)cc2C(C)C)cc1C,DQMJSUIHDWCZSA-UHFFFAOYSA-N
-rxn:5:177736:223018:226334,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,WFLUHNVAPUUKBC-UHFFFAOYSA-N
-rxn:5:177737:226068:225871,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)OC(C)(C)C,BXRICLBLUBHSER-UHFFFAOYSA-N
-rxn:5:178278:222960:223065,Cc1cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)cc2C)cc(C2CCNCC2)c1,IWKQMWKHWXITHM-UHFFFAOYSA-N
-rxn:5:178278:222985:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1ccc(C2CCCNC2)nc1C,YQZXILLXXMCZHN-UHFFFAOYSA-N
-rxn:5:178278:222986:223065,Cc1cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)cc2C)cc(C2CCCNC2)n1,NAHRCLGLFQKIRT-UHFFFAOYSA-N
-rxn:5:178278:222987:223006,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)c(C)cc1-c1ccc(C2CCNCC2)nc1C,MHAJSWFSMKDPNL-UHFFFAOYSA-N
-rxn:5:178278:222987:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1ccc(C2CCNCC2)nc1C,WOIKFFDGVFZQJY-UHFFFAOYSA-N
-rxn:5:178278:222989:223065,Cc1cc(N2CCNCC2)ccc1-c1cc(C)c(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)cc1C,JKWVEJGHTKHXPK-UHFFFAOYSA-N
-rxn:5:178278:222990:223063,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2)c(C)cc1-c1ccc(N2CCC(O)CC2)cc1,ZNABJFGYZISWCX-UHFFFAOYSA-N
-rxn:5:178278:222992:223063,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2)c(C)cc1-c1ccc(N2CCCCC2O)cc1,MIRGIUZXLHUWJN-UHFFFAOYSA-N
-rxn:5:178278:222993:223006,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)c(C)cc1-c1cccc(N2CCCCC2O)c1,NGTDQGLDDZUUGS-UHFFFAOYSA-N
-rxn:5:178278:222993:223062,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)c(C)cc1-c1cccc(N2CCCCC2O)c1,NECVIKDUCTTYAM-UHFFFAOYSA-N
-rxn:5:178278:222993:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1cccc(N2CCCCC2O)c1,JPVVSXUJYGYONE-UHFFFAOYSA-N
-rxn:5:178278:222994:223061,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2)c(C)cc1-c1cccc(N2CCC(O)CC2)c1,PEBANLUXZIBMKV-UHFFFAOYSA-N
-rxn:5:178278:222994:223062,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)c(C)cc1-c1cccc(N2CCC(O)CC2)c1,KSYORQNOJBYPHG-UHFFFAOYSA-N
-rxn:5:178278:222994:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1cccc(N2CCC(O)CC2)c1,BCXZKXYJQXAVQG-UHFFFAOYSA-N
-rxn:5:178278:222998:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)c(C)cc1-c1cc(F)cc(C2CCCNC2)c1,LPDGUKUXEPQHPB-UHFFFAOYSA-N
-rxn:5:178278:223006:225834,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCCCC4)ncc3F)cc2)c(C)cc1-c1ccc(F)c(C2CCNCC2)c1,BCXOCJHWHZSHQB-UHFFFAOYSA-N
-rxn:5:178278:223063:222980,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2)c(C)cc1-c1cc(F)nc(C2CCNCC2)c1,XZOMRZSFXPPWJM-UHFFFAOYSA-N
-rxn:5:178278:223064:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1ccc(C2CCNCC2)nc1F,SDXVZXQTJRCOMX-UHFFFAOYSA-N
-rxn:5:178295:223229:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(NC(C)=O)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MNEPMJMZOQGRIE-UHFFFAOYSA-N
-rxn:5:178295:223285:227315,COC(=O)C1(c2cc(-c3cnc(CC(C)C)cc3F)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,ASBADKNXZPJPFZ-UHFFFAOYSA-N
-rxn:5:178295:223285:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,BSQBHYGGELFHAO-UHFFFAOYSA-N
-rxn:5:178295:223287:227985,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(F)c(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ZACOAFKUAIIDPV-UHFFFAOYSA-N
-rxn:5:178295:223295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cncc(NS(C)(=O)=O)c2)CCC(=O)CC1,PAICYZZLYYHHNB-UHFFFAOYSA-N
-rxn:5:178295:223309:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(NC(C)C)cc2)CCC(=O)CC1,YMMDALGLZQDWAM-UHFFFAOYSA-N
-rxn:5:178295:225407:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RCHRXDHAZBICRV-UHFFFAOYSA-N
-rxn:5:178295:225437:227818,CCC(C)c1cccc(-c2ccc(-c3cccc(CN4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZHKVPMBGOQPSOW-UHFFFAOYSA-N
-rxn:5:178295:225703:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4sc(C(=O)OC)cc4c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DLYCIJAUSSHXRT-UHFFFAOYSA-N
-rxn:5:178295:226032:229203,CCc1ccsc1-c1ccc(-c2cc(OC)cc(C(F)(F)F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HCHKUFGOSZWMPA-UHFFFAOYSA-N
-rxn:5:178295:226059:223357,COC(=O)C1(c2cc(-c3ccccc3NC(C)=O)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,HJYMONIKOLDMNJ-UHFFFAOYSA-N
-rxn:5:178295:226059:228531,COC(=O)C1(c2cc(-c3cccc4c3CCO4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,POIAJPDBXDIRMQ-UHFFFAOYSA-N
-rxn:5:178295:226059:229089,COC(=O)C1(c2cc(-c3ccsc3C(C)=O)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,MOATVIMAUGRYSY-UHFFFAOYSA-N
-rxn:5:178295:226062:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GETVUZDERYICHE-UHFFFAOYSA-N
-rxn:5:178295:226062:227899,CCC#Cc1cncc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KVUNTFROZIWHRU-UHFFFAOYSA-N
-rxn:5:178295:226062:228687,CCSc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,JZYUOAVCOXQOPG-UHFFFAOYSA-N
-rxn:5:178295:226084:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,SOBFUSVODCCVOC-UHFFFAOYSA-N
-rxn:5:178295:226085:227051,CCC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,HMZLUYOIRIMEFN-UHFFFAOYSA-N
-rxn:5:178295:226085:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,YQDFGVQORKLMNH-UHFFFAOYSA-N
-rxn:5:178295:226140:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,RSRYRNZRWPPEBV-UHFFFAOYSA-N
-rxn:5:178295:226154:228557,COCc1cccc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WTMHVSBGIAETFN-UHFFFAOYSA-N
-rxn:5:178295:226191:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,NDFFAZIFEAOEQG-UHFFFAOYSA-N
-rxn:5:178295:226211:226199,COC(=O)C1(c2cc(-c3ccc4c(cnn4C(C)C)c3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,SNMFAPHWIMTCDB-UHFFFAOYSA-N
-rxn:5:178295:226341:228547,CCCc1ccncc1-c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,FZPNHGPFWHTHGX-UHFFFAOYSA-N
-rxn:5:178295:226345:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(=O)OC)c(C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,YECDPGNHCUYVKX-UHFFFAOYSA-N
-rxn:5:178295:226351:228107,CCC(C)c1ncncc1-c1ccc(-c2cc(C)c(F)c(OC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SLDQIRWRFLNAND-UHFFFAOYSA-N
-rxn:5:178295:226461:226591,COC(=O)C1(c2cc(-c3ccc(OC(C)C)c(F)c3F)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,PALSOTLIBSDTGF-UHFFFAOYSA-N
-rxn:5:178295:226579:227077,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,JFZOJUJQEINZIK-UHFFFAOYSA-N
-rxn:5:178295:226579:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VDDMCULLNYHOKP-UHFFFAOYSA-N
-rxn:5:178295:226579:228549,CCCc1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FXEBWNHSBNQUBD-UHFFFAOYSA-N
-rxn:5:178295:226580:228765,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FNLAVOITCAAMMJ-UHFFFAOYSA-N
-rxn:5:178295:226581:228142,CCCc1cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,ZENFNGOOVQJYBH-UHFFFAOYSA-N
-rxn:5:178295:226582:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,ZTMWSJGPJCJJFA-UHFFFAOYSA-N
-rxn:5:178295:226772:228991,CCCc1sccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WUURXDSHJFXSLE-UHFFFAOYSA-N
-rxn:5:178295:226907:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,LSWLTPSMQWWGMP-UHFFFAOYSA-N
-rxn:5:178295:226910:227984,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(OC)c(C)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,PVBHRGQQASOWPB-UHFFFAOYSA-N
-rxn:5:178295:226911:227912,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(C)OC)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,IGYPVDDUMZULFZ-UHFFFAOYSA-N
-rxn:5:178295:226912:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,HBFVHYVGLSYDJN-UHFFFAOYSA-N
-rxn:5:178295:226912:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,YMERXDFBRGTITJ-UHFFFAOYSA-N
-rxn:5:178295:226913:226920,CCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,HNAUSQUQOVTUCX-UHFFFAOYSA-N
-rxn:5:178295:226914:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,LHBBGCKVMDNELK-UHFFFAOYSA-N
-rxn:5:178295:226920:223357,COC(=O)C1(c2cc(-c3ccccc3NC(C)=O)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,SSXDPQYTHGDMEH-UHFFFAOYSA-N
-rxn:5:178295:226920:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,FMSSOBWBQGITON-UHFFFAOYSA-N
-rxn:5:178295:226920:227891,COC(=O)C1(c2cc(-c3ccccc3CN(C)C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,XNEYDEWCENVTOL-UHFFFAOYSA-N
-rxn:5:178295:226920:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,GDFFPYYMKCQIDK-UHFFFAOYSA-N
-rxn:5:178295:226924:228275,COC(=O)C1(c2cc(-c3cc(C)cc(F)c3OC)ccc2-c2cc(C)cc(C3CC3)c2C)CCC(=O)CC1,RFTAJNZMGMQFNF-UHFFFAOYSA-N
-rxn:5:178295:226968:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,SFPQRGSBKITHLE-UHFFFAOYSA-N
-rxn:5:178295:226968:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,MCHRPRKLGJPHBR-UHFFFAOYSA-N
-rxn:5:178295:227019:227816,CCCc1ccc(-c2ccc(-c3cccc(C(C)(C)C#N)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JPRWVRXKVYPZJW-UHFFFAOYSA-N
-rxn:5:178295:227028:228146,CCc1cncc(-c2ccc(-c3cccc(C4(C#N)CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,VOZNJNRJZJKOMU-UHFFFAOYSA-N
-rxn:5:178295:227038:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,SLTSREIPNWQICU-UHFFFAOYSA-N
-rxn:5:178295:227039:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2ccc(OC(C)(C)C)cc2)CCC(=O)CC1,VEMLABNUFAJDIS-UHFFFAOYSA-N
-rxn:5:178295:227046:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CITIRPZLEITMNI-UHFFFAOYSA-N
-rxn:5:178295:227052:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,RGGIQSRGOCQCCO-UHFFFAOYSA-N
-rxn:5:178295:227063:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,BIWWQGQBIPFVKY-UHFFFAOYSA-N
-rxn:5:178295:227069:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,QHELNFOIKSHJKK-UHFFFAOYSA-N
-rxn:5:178295:227070:227920,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccc(C(=O)CC)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,MKZDUZIZUUEIKI-UHFFFAOYSA-N
-rxn:5:178295:227073:227935,CCc1cc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,PLYPTECHMVFLDK-UHFFFAOYSA-N
-rxn:5:178295:227075:227929,CCOc1cc(C)ccc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KPHMUVSWLNHNII-UHFFFAOYSA-N
-rxn:5:178295:227077:227807,CCC(C)c1ccc(-c2ccc(-c3cccc4c3CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,MTSMHNBKMPDFOP-UHFFFAOYSA-N
-rxn:5:178295:227077:227820,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,PFYKZGFFZGJSHE-UHFFFAOYSA-N
-rxn:5:178295:227079:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,MNULEIDGZACWEQ-UHFFFAOYSA-N
-rxn:5:178295:227102:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,LVVHOTDSZJMSQS-UHFFFAOYSA-N
-rxn:5:178295:227102:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,ZMRZIHPURCKLJC-UHFFFAOYSA-N
-rxn:5:178295:227108:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PTDKIIHNGZHSTH-UHFFFAOYSA-N
-rxn:5:178295:227115:228562,CCC(C)c1csc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KQMLTHAHVTVVHM-UHFFFAOYSA-N
-rxn:5:178295:227288:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,PNHRLVSQJNDUAF-UHFFFAOYSA-N
-rxn:5:178295:227309:226581,CCC(C)c1cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AOANFQQSPMOSNM-UHFFFAOYSA-N
-rxn:5:178295:227309:227591,CCC(C)c1cc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,VMFCMWMVGHWURH-UHFFFAOYSA-N
-rxn:5:178295:227309:227811,CCC(C)c1cc(-c2ccc(-c3ccc(CC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,UADFXKRWPWMGFR-UHFFFAOYSA-N
-rxn:5:178295:227311:227985,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(F)c(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,UZMBQDQJWCQTDC-UHFFFAOYSA-N
-rxn:5:178295:227312:227069,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,UBLNKHOTOFBCCB-UHFFFAOYSA-N
-rxn:5:178295:227312:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UJWGZCMHURDQFT-UHFFFAOYSA-N
-rxn:5:178295:227312:228182,CCC(C)c1ccc(-c2ccc(-c3cccc(CC(F)F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,PFHXRLBWXDFMFM-UHFFFAOYSA-N
-rxn:5:178295:227313:228202,CCC(C)c1cc(-c2ccc(-c3ccc(F)c(N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,YORBTFBQQQWBLT-UHFFFAOYSA-N
-rxn:5:178295:227326:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,LSWVXSCLTNBPPP-UHFFFAOYSA-N
-rxn:5:178295:227329:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,WDLSTALUZAOMAH-UHFFFAOYSA-N
-rxn:5:178295:227338:227313,CCC(C)c1cc(-c2ccc(-c3cc(OC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,NKHZMNNRZJXBMQ-UHFFFAOYSA-N
-rxn:5:178295:227352:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,APYUKBWBVOSYTH-UHFFFAOYSA-N
-rxn:5:178295:227353:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,YVMAAJIQXQSDCO-UHFFFAOYSA-N
-rxn:5:178295:227361:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,MAFRCXYSWAKFKI-UHFFFAOYSA-N
-rxn:5:178295:227364:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(OC)c(C)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UNOMNIJWKZSYFS-UHFFFAOYSA-N
-rxn:5:178295:227512:227917,CCc1ccc(OC)c(-c2ccc(-c3cc(C(=O)OC)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RPBXAFPMQOZKML-UHFFFAOYSA-N
-rxn:5:178295:227540:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,NICFUJRWBKLGRZ-UHFFFAOYSA-N
-rxn:5:178295:227540:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,NOSYTQUDRHYKQH-UHFFFAOYSA-N
-rxn:5:178295:227568:227816,CCCc1ccc(-c2ccc(-c3c(F)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RTLPRGPNWUNQBS-UHFFFAOYSA-N
-rxn:5:178295:227591:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,TXXKJPIMVIPPRP-UHFFFAOYSA-N
-rxn:5:178295:227592:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2cc(F)cc(OC)c2OC)CCC(=O)CC1,NUMKEIMRUDUOJZ-UHFFFAOYSA-N
-rxn:5:178295:227696:227051,CCC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JGCWZWYQXNKEEY-UHFFFAOYSA-N
-rxn:5:178295:227696:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AOPQUTFMFZKVSC-UHFFFAOYSA-N
-rxn:5:178295:227701:223421,CNC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,CWXCXBGDALMMHN-UHFFFAOYSA-N
-rxn:5:178295:227705:228567,CCC(C)c1sccc1-c1ccc(-c2cnc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,GMNHJRYIVRRVDY-UHFFFAOYSA-N
-rxn:5:178295:227807:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,QNVYMIVBHNVQDB-UHFFFAOYSA-N
-rxn:5:178295:227808:227209,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)O4)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,IWEBATWFAKDFSK-UHFFFAOYSA-N
-rxn:5:178295:227808:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,QYDOXEFLPXLTGL-UHFFFAOYSA-N
-rxn:5:178295:227808:227356,CCOc1cc(F)c(C)cc1-c1ccc(-c2ccc3c(c2)CCCC3)c(C2(C(=O)OC)CCC(=O)CC2)c1,BPMVEFMCCGSQRS-UHFFFAOYSA-N
-rxn:5:178295:227810:226322,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WFAWKEZOQUZXPU-UHFFFAOYSA-N
-rxn:5:178295:227810:226330,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)s3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,RJIAPKAOQQVMMX-UHFFFAOYSA-N
-rxn:5:178295:227810:227063,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VWAQZOCQVBUQLD-UHFFFAOYSA-N
-rxn:5:178295:227810:227071,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(COC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VIOHITCSMSENPY-UHFFFAOYSA-N
-rxn:5:178295:227818:227284,CCC(C)c1cccc(-c2ccc(-c3cc(C#N)ncc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MUFDWPCMPQAUBL-UHFFFAOYSA-N
-rxn:5:178295:227820:227317,COC(=O)C1(c2cc(-c3ccnc(OC(C)(C)C)c3)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,OBJJNNLRYWBSFD-UHFFFAOYSA-N
-rxn:5:178295:227829:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccccc3C3CCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CRLQIJHXJSSSTJ-UHFFFAOYSA-N
-rxn:5:178295:227833:226153,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C3CC3)c(OC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,IFJGICMWNHNWDD-UHFFFAOYSA-N
-rxn:5:178295:227833:226923,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)c(C3CC3)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,LAYMWAFSCBHBDQ-UHFFFAOYSA-N
-rxn:5:178295:227837:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FZGMKIDHQUFPED-UHFFFAOYSA-N
-rxn:5:178295:228119:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,DDLQKENCPTZYCJ-UHFFFAOYSA-N
-rxn:5:178295:228177:225593,COCc1ccc(F)cc1-c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FOYMZVWKDJZZQR-UHFFFAOYSA-N
-rxn:5:178295:228177:227319,COCc1ccc(F)cc1-c1ccc(-c2cc(CC(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,QUVUADFVJIWYPG-UHFFFAOYSA-N
-rxn:5:178295:228177:227592,COCc1ccc(F)cc1-c1ccc(-c2cc(F)cc(OC)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PESMDMHYRVRWNJ-UHFFFAOYSA-N
-rxn:5:178295:228180:226926,COCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,WHZYRXYPEDIMMM-UHFFFAOYSA-N
-rxn:5:178295:228257:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,FWBZDZAKKNJVML-UHFFFAOYSA-N
-rxn:5:178295:228277:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(OC)ccc(F)c2C)CCC(=O)CC1,CQDQFGQNEPHZFV-UHFFFAOYSA-N
-rxn:5:178295:228279:227346,CCCc1cc(F)c(-c2ccc(-c3c(F)cc(CC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LDHCCAISWKIJHA-UHFFFAOYSA-N
-rxn:5:178295:228332:227336,COC(=O)C1(c2cc(-c3ccc(F)cc3OC(C)C)ccc2-c2cnc(OC)cc2SC)CCC(=O)CC1,ZUVVVXABPKCTRO-UHFFFAOYSA-N
-rxn:5:178295:228463:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc(OC(F)F)nc2)CCC(=O)CC1,XHNRKJCZUOKWMW-UHFFFAOYSA-N
-rxn:5:178295:228512:226350,CC#Cc1cccc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XSSIOOMJWSYVGG-UHFFFAOYSA-N
-rxn:5:178295:228512:226771,CC#Cc1cccc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JXGGDEDYCKOQIS-UHFFFAOYSA-N
-rxn:5:178295:228564:226322,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)s1,AVACLVPDVWSNHT-UHFFFAOYSA-N
-rxn:5:178295:228566:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccsc2CC(C)C)CCC(=O)CC1,HPCPSNOXRKRFEP-UHFFFAOYSA-N
-rxn:5:178295:228588:226341,CC#Cc1cc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,MXNRLLKJCUIJHK-UHFFFAOYSA-N
-rxn:5:178295:228990:226589,CCCc1ccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)s1,LQZBWWDBSLZLOR-UHFFFAOYSA-N
-rxn:5:178314:222958:223203,Cc1ccc(-c2ccc(-c3cccc(C4(O)CCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1C1CCNCC1,RUTNXQJZDGGDGQ-UHFFFAOYSA-N
-rxn:5:178353:222959:223056,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)c(C)c3)cc2C)ccc1-c1ccc(N2CCC(O)CC2)nc1,UCACHUXPNCHPFC-UHFFFAOYSA-N
-rxn:5:178353:222989:223007,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3C)cc2C)ccc1-c1cc(F)cc(C2CCNCC2)c1,XNHQQVLYWVCJOR-UHFFFAOYSA-N
-rxn:5:178353:222989:223058,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3C)cc2C)ccc1-c1cc(F)nc(C2CCCNC2)c1,CSYSIAYIVNZXPH-UHFFFAOYSA-N
-rxn:5:178353:222990:223058,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCC(O)CC4)cc3)cc2C)ccc1-c1cc(F)nc(C2CCCNC2)c1,RPFMLOKVOPSXTF-UHFFFAOYSA-N
-rxn:5:178353:222990:223137,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCC(O)CC4)cc3)cc2C)ccc1-c1cncc(C2CCCNC2)c1,BVWIBQPEUKGOHA-UHFFFAOYSA-N
-rxn:5:178353:222991:223056,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCC(O)C4)cc3)cc2C)ccc1-c1ccc(N2CCC(O)CC2)nc1,OZLIZHBSGJLCGV-UHFFFAOYSA-N
-rxn:5:178353:222991:223140,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCC(O)C4)cc3)cc2C)ccc1-c1ccnc(C2CCCNC2)c1,JLTBYQKJPZSWHZ-UHFFFAOYSA-N
-rxn:5:178353:222991:223141,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCC(O)C4)cc3)cc2C)ccc1-c1cncc(C2CCNCC2)c1,UIASXEZJNRQNHZ-UHFFFAOYSA-N
-rxn:5:178353:222992:223137,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4O)cc3)cc2C)ccc1-c1cncc(C2CCCNC2)c1,DAJUUVXPDOWZGX-UHFFFAOYSA-N
-rxn:5:178353:222993:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCCCC4O)c3)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,WEMXPTGIYXPUTE-UHFFFAOYSA-N
-rxn:5:178353:222993:223138,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCCCC4O)c3)cc2C)ccc1-c1ccnc(C2CCNCC2)c1,XYGNYPNNLDFXHK-UHFFFAOYSA-N
-rxn:5:178353:222994:223058,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCC(O)CC4)c3)cc2C)ccc1-c1cc(F)nc(C2CCCNC2)c1,VCSZAMJMVZKQHY-UHFFFAOYSA-N
-rxn:5:178353:222994:223139,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCC(O)CC4)c3)cc2C)ccc1-c1ccc(C2CCNCC2)nc1,DDWJAJQSVDDWLB-UHFFFAOYSA-N
-rxn:5:178353:222995:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCCC(O)C4)c3)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,GMIOUALVJJBSJT-UHFFFAOYSA-N
-rxn:5:178353:222995:223141,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccc(N4CCCC(O)C4)c3)cc2C)ccc1-c1cncc(C2CCNCC2)c1,FDCFYPNJUCDZGQ-UHFFFAOYSA-N
-rxn:5:178353:222998:223132,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)cc(C4CCCNC4)c3)cc2C)ccc1-c1cccc(N2CCNCC2)c1,GDPSWORXAXIAJC-UHFFFAOYSA-N
-rxn:5:178353:223002:223132,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)cc3F)cc2C)ccc1-c1cccc(N2CCNCC2)c1,CIAUTFIRCKQFLT-UHFFFAOYSA-N
-rxn:5:178353:223002:223138,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccnc(C2CCNCC2)c1,REQBSIBSSVPEGE-UHFFFAOYSA-N
-rxn:5:178353:223002:223139,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccc(C2CCNCC2)nc1,CAXZEMBBXGVFIL-UHFFFAOYSA-N
-rxn:5:178353:223006:223131,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(F)c(C4CCNCC4)c3)cc2C)ccc1-c1ccc(N2CCNCC2)cc1,ZUVUWUFBTXSHFI-UHFFFAOYSA-N
-rxn:5:178353:223008:223132,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCNCC4)ccc3F)cc2C)ccc1-c1cccc(N2CCNCC2)c1,KYHKACCMXGVVMI-UHFFFAOYSA-N
-rxn:5:178353:223056:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)c(C)c2)c(C)cc1-c1ccc(N2CCC(O)CC2)nc1,IOMPVRCCJOZFJU-UHFFFAOYSA-N
-rxn:5:178353:223061:222994,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCNCC4)ncc3F)cc2C)ccc1-c1cccc(N2CCC(O)CC2)c1,WXHJQDCVHALWLC-UHFFFAOYSA-N
-rxn:5:178353:223062:222990,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCC(O)CC2)cc1,REXSDIUDERGYHU-UHFFFAOYSA-N
-rxn:5:178353:223062:223056,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCC(O)CC2)nc1,VVMOFTLPXSBLRM-UHFFFAOYSA-N
-rxn:5:178353:223063:222991,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)nc(C4CCNCC4)c3)cc2C)ccc1-c1ccc(N2CCCC(O)C2)cc1,RHBOHHKFTMVHHW-UHFFFAOYSA-N
-rxn:5:178353:223063:223131,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)nc(C4CCNCC4)c3)cc2C)ccc1-c1ccc(N2CCNCC2)cc1,LRLODQPKLROYCM-UHFFFAOYSA-N
-rxn:5:178368:223065:223138,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCNCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCNCC2)cc1F,MGTGPTAWFOMTRH-UHFFFAOYSA-N
-rxn:5:178467:227361:226191,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCC4)ccc3F)cc(-c3cc(OC)c(C)cc3OC)c2OC1,YVMYIRYKDIXCNF-UHFFFAOYSA-N
-rxn:5:179629:225802:225849,COc1ccc(-c2ccc(OC3CCCC3)nc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,OIYGVDGLRSKNAF-UHFFFAOYSA-N
-rxn:5:179629:225806:225987,COc1ccc(-c2cnc(OC3CCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,PPNZOBRJKGUOPD-UHFFFAOYSA-N
-rxn:5:180022:225672:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cc(F)nc(C3CCCCC3)c2)c1C1OCCO1,ZTTKKTNGMZTFQZ-UHFFFAOYSA-N
-rxn:5:180377:223018:223105,CNS(=O)(=O)c1cc(-c2cc(C(C)C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c(C(C)C)c2)c(F)cc1C,JIYDDCGDYMJIRJ-UHFFFAOYSA-N
-rxn:5:180402:226068:226345,COC(=O)c1cc(-c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2C(=O)C2CCCCC2)c(C)cc1C,WCKYSZHLNFJWJS-UHFFFAOYSA-N
-rxn:5:180402:226149:226140,COc1ccc(C(C)(C)C)cc1-c1cc(-c2ccc(OC)c(C(C)(C)C)c2)ccc1C(=O)C1CCCCC1,YJMIXGPVDPXEIM-UHFFFAOYSA-N
-rxn:5:181628:225671:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1C1OCCO1,BRPMLPWNGHDALV-UHFFFAOYSA-N
-rxn:5:181904:226652:222998,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cc(F)cc(C3CCCNC3)c2)n(C2CCCCO2)n1,LQPMUFSKVNXJNU-UHFFFAOYSA-N
-rxn:5:181904:226686:222981,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccnc(NC2CCCCC2)c1,WXKRJPLWZOKNHP-UHFFFAOYSA-N
-rxn:5:181907:222988:222987,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,PZIOTGHTXIGIPF-UHFFFAOYSA-N
-rxn:5:181907:225407:225683,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,HLKDOGASOMMXHU-UHFFFAOYSA-N
-rxn:5:181907:225607:223139,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCNCC3)nc2)c(C2OCCO2)c1,UNGOVLNEUDGLAT-UHFFFAOYSA-N
-rxn:5:181907:226374:225832,Cc1cc(-c2cncnc2C2CCCCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AYXHRYAETFHSSL-UHFFFAOYSA-N
-rxn:5:181908:223139:225805,Cc1cc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,KGORUYGLIKMFDN-UHFFFAOYSA-N
-rxn:5:181908:226686:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(C2OCCO2)c(C)cc1-c1c(C)cnn1C1CCCCO1,YQHKPWLXYDFTBC-UHFFFAOYSA-N
-rxn:5:182011:223064:222988,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,HQNIIGXZUOVYJZ-UHFFFAOYSA-N
-rxn:5:182012:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)c(C2CCCOC2)c1,WYWZELMCSZVUQR-UHFFFAOYSA-N
-rxn:5:183190:223018:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(c(-c4ccc5c(c4)NC(=O)C(C)(C)O5)c2)CC(C)(C)C3=O)cc1C,FSJHCTKQPNWPPR-UHFFFAOYSA-N
-rxn:5:189207:226371:228457,COC(=O)c1ncc(-c2ccc(-c3cnc(N4CCCC4)cc3C)cc2C(=O)ON2C(=O)CCC2=O)cn1,IGNNRYLIIGQSKN-UHFFFAOYSA-N
-rxn:5:189207:227084:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccc(C(C)(C)C)nc2C)cc1C(=O)ON1C(=O)CCC1=O,ROGOZSVOLJBNED-UHFFFAOYSA-N
-rxn:5:189335:223018:226864,COc1cc(C(=O)N(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1-c1cc(F)c(OC(F)F)c(F)c1,YAPQTCQFUYWPLO-UHFFFAOYSA-N
-rxn:5:189407:225985:225976,CN(Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccnc(N3CCOCC3)c2F)c1)C1CC1,VPKFOIWKNAYNMW-UHFFFAOYSA-N
-rxn:5:189829:225636:228247,COc1c(-c2ccnc(N3CCC(C)CC3)c2)cc(C(=O)N2CCCC2)cc1-c1cc(C(C)=O)ccc1F,CJCOEGRIVUBHOM-UHFFFAOYSA-N
-rxn:5:189829:226427:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1cc(N2CCC(C)CC2)cs1,RMSUFRSOYLRDLS-UHFFFAOYSA-N
-rxn:5:190000:225834:225986,O=C(Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cc(N2CCCCC2)ncc1F)N1CCCCC1,KEHYQZNYSNQTSL-UHFFFAOYSA-N
-rxn:5:190127:227935:226058,CCc1cc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,LTYVVPAUEBYYGY-UHFFFAOYSA-N
-rxn:5:190264:225834:225986,CC1CCN(C(=O)Cc2ccc(-c3ccccc3N3CCCS3(=O)=O)c(-c3cc(N4CCCCC4)ncc3F)c2)CC1,GVZFTGZANKXGDI-UHFFFAOYSA-N
-rxn:5:190484:226059:228967,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C)nc4C(F)F)S(=O)(=O)CC3)c2)c(C(C)C)c1,RBGBPWCZGMWONL-UHFFFAOYSA-N
-rxn:5:190484:226920:227970,Cc1ccc(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C(C)(C)C)S(=O)(=O)CC2)c1,ODVLJBLCDUFVBT-UHFFFAOYSA-N
-rxn:5:190484:227077:227412,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c(F)c1,PWASHNUQTPNTFT-UHFFFAOYSA-N
-rxn:5:190484:227815:227415,CCC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)CC2)c1,QGEYOQIXQPSDDB-UHFFFAOYSA-N
-rxn:5:190796:223018:223189,CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c2c(-c3ccc(NS(C)(=O)=O)cc3F)cccc21,ZRZBNOWGXXSTSZ-UHFFFAOYSA-N
-rxn:5:190797:226149:225407,COc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)c3ccn(C(=O)OC(C)(C)C)c3c2)cc1C(C)(C)C,BHZMZWUOBOKKLU-UHFFFAOYSA-N
-rxn:5:190799:226140:225394,COc1ccc(C(C)(C)C)cc1-c1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc2c1ccn2C(=O)OC(C)(C)C,CLUZYDBKRYGLBR-UHFFFAOYSA-N
-rxn:5:190833:226580:228546,CCCc1cnccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,NWWNYROLKLNNMD-UHFFFAOYSA-N
-rxn:5:190833:226580:229089,CC(=O)c1sccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,UUDQZPBHSUERIR-UHFFFAOYSA-N
-rxn:5:190833:226919:227815,CCC(C)c1ccccc1-c1ccc(-c2cccc(C3CCCC3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,XCDKRRSSYUAWCD-UHFFFAOYSA-N
-rxn:5:190833:227048:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,RWPUFFZVUUKTRQ-UHFFFAOYSA-N
-rxn:5:190833:227069:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(OC)cc2C(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,IEUHPMRKGIBTLQ-UHFFFAOYSA-N
-rxn:5:190833:227976:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc([Si](C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,LBYQLYSYOYMWLH-UHFFFAOYSA-N
-rxn:5:190859:222998:223088,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(F)cc(C3CCCNC3)c1)c2-c1ccnc2[nH]c(C(F)(F)F)cc12,ZDYWVAWOMJARQO-UHFFFAOYSA-N
-rxn:5:190859:223086:223144,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc3[nH]ncc3cc1C(F)(F)F)c2-c1ccc(N2CCC(O)C2)cc1,CYDQXKSYLVUONR-UHFFFAOYSA-N
-rxn:5:190859:223090:222991,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3[nH]nc(C(F)(F)F)c3c1)c2-c1ccc(N2CCCC(O)C2)cc1,GQZCBZNVTBBNHG-UHFFFAOYSA-N
-rxn:5:190997:225834:225986,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccccc3N3CCCS3(=O)=O)c3cccnc23)c(C)cc1-c1cc(N2CCCCC2)ncc1F,UDUGIOZDQOVJAN-UHFFFAOYSA-N
-rxn:5:190998:227909:226154,CCC(C)c1cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4OC)cc2C(=O)OC)C(=O)CO3)ccn1,NMWXCMVABBXXMV-UHFFFAOYSA-N
-rxn:5:190998:228562:226059,CCC(C)c1csc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)C)cc4C(C)C)cc2C(=O)OC)C(=O)CO3)c1,RGIAMCMPGDGUQZ-UHFFFAOYSA-N
-rxn:5:191026:226910:228339,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccncc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,KTCUFUWEQSNDOP-UHFFFAOYSA-N
-rxn:5:191026:227076:228318,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnccc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,LMUVKQJWTHGWRH-UHFFFAOYSA-N
-rxn:5:191026:227833:227124,CCc1cc(C)cc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3F)c1)C=C(C(=O)OC)S2(=O)=O,OBZPAYLXRXXHNT-UHFFFAOYSA-N
-rxn:5:192562:225833:225871,N#CC1(c2ccc(-c3ccnc(N4CCCCC4)c3F)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)CCC1,JGNBOWDDOPRAKH-UHFFFAOYSA-N
-rxn:5:192562:225871:225849,N#CC1(c2ccc(-c3cccc(N4C(=O)C=CC4=O)c3)c(-c3cnc(N4CCCCC4)cc3F)c2)CCC1,PRVSDCCHZWRFCB-UHFFFAOYSA-N
-rxn:5:192563:223065:225986,O=C(c1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCC1,LLMFOEBMSBPANV-UHFFFAOYSA-N
-rxn:5:193054:225808:225987,O=C(c1cccc(-c2cc(OC3CCCC3)ncc2F)c1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCCC1,PJUQWTKEJCHHJY-UHFFFAOYSA-N
-rxn:5:193156:225833:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(CN3CCCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2)c1,IRCVMHZDEHVOSD-UHFFFAOYSA-N
-rxn:5:193329:225407:226778,COc1cc(-c2c(-c3ccc(C4CCCCCC4)cc3)ccnc2OC2CCCCC2)c(F)c(F)c1OC,XGACJZWXYWOSGW-UHFFFAOYSA-N
-rxn:5:193382:223061:227438,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccnc(C2CCOC2)c1)N1CCOCC1,FRQQOUOJBMUOOW-UHFFFAOYSA-N
-rxn:5:193382:223134:223000,O=S(=O)(c1ccc(-c2cnccc2C2CCCNC2)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,SBABRMRDBQZQIC-UHFFFAOYSA-N
-rxn:5:193382:223134:225874,O=S(=O)(c1ccc(-c2cnccc2C2CCCNC2)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,DOBCHWQOKJEXNL-UHFFFAOYSA-N
-rxn:5:193382:223138:222956,Cc1ccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,FIKXAAKZTGWVEI-UHFFFAOYSA-N
-rxn:5:193382:223142:223138,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccnc(C2CCNCC2)c1)N1CCOCC1,JQTIPBHTIPJZOI-UHFFFAOYSA-N
-rxn:5:193382:223148:222988,Cc1cc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,AOUFLPHFZDXKCU-UHFFFAOYSA-N
-rxn:5:193382:225636:225980,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(N5CCOCC5)ncc4F)c3)ccn2)CC1,CGXAIJFPZVURLW-UHFFFAOYSA-N
-rxn:5:193382:225641:223199,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CCNC5)c4)c3)ccn2)C1,OHGSIYHLCPSRFK-UHFFFAOYSA-N
-rxn:5:193382:225657:223062,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)ccc1N1CCOCC1,RPNDTVXWVMQHGN-UHFFFAOYSA-N
-rxn:5:193382:225982:225881,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,WMDNFOYVUSFBBE-UHFFFAOYSA-N
-rxn:5:193382:226411:223063,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CCOCC1,BHZVXSCWLDSVHE-UHFFFAOYSA-N
-rxn:5:193382:227086:225881,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,VPXVZXJHSJFVSA-UHFFFAOYSA-N
-rxn:5:193461:225833:225987,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCCCC1,HDKHLWKZMZKLAL-UHFFFAOYSA-N
-rxn:5:193463:226062:226582,CC(C)c1cc(-c2ccc(CN3CCC(=O)CC3)c(-c3ccc(C(=O)N(C)C)cc3F)c2)cc(C(C)C)c1,IMOCUIMREVPUSK-UHFFFAOYSA-N
-rxn:5:193506:223065:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(C3CC3)nc2)CC1,OTUMYGOACIFYKW-UHFFFAOYSA-N
-rxn:5:193506:223065:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccnc(C3CC3)c2)CC1,MPWPIXDNJDJPJH-UHFFFAOYSA-N
-rxn:5:193506:223065:229016,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccsc2C2CC2)CC1,QXTUSXNNSGDKQS-UHFFFAOYSA-N
-rxn:5:193506:225679:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2ccc(C3CC3)nc2)CC1,ABEMRSWLWQBLHK-UHFFFAOYSA-N
-rxn:5:193506:225833:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(C3CC3)s2)CC1,ABEDYUHZWDIYAF-UHFFFAOYSA-N
-rxn:5:193506:225849:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccc(C3CC3)s2)CC1,UAWQWMYDNLXSHU-UHFFFAOYSA-N
-rxn:5:193506:226364:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2cc(F)cc(C3CC3)c2)CC1,SBBSXOKWCVHYEU-UHFFFAOYSA-N
-rxn:5:193506:226366:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cc(F)cc(C3CC3)c2)CC1,FNXJFTSIBWDKOX-UHFFFAOYSA-N
-rxn:5:193506:226414:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cc(F)nc(C3CC3)c2)CC1,JVIZSDTXFCLZBF-UHFFFAOYSA-N
-rxn:5:193506:226663:223439,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2-c2cc(C(F)(F)F)[nH]n2)CC1,HALBKDAPIYCMTD-UHFFFAOYSA-N
-rxn:5:193506:226679:228629,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(C3CCC3)s2)CC1,KFFLYIMXKUBHEQ-UHFFFAOYSA-N
-rxn:5:193506:226794:228391,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cccc(C(F)(F)F)c2)CC1,ZDFFOLALMQINET-UHFFFAOYSA-N
-rxn:5:193506:226794:228478,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cncc(C(F)(F)F)c2)CC1,USZYIDLUMRQLOY-UHFFFAOYSA-N
-rxn:5:193506:227120:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)cc3F)cc2-c2ccnc(N3CCCC3)c2)CC1,BETBWGRCFPYYBR-UHFFFAOYSA-N
-rxn:5:193506:227980:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2ccc(N3CCCCC3)nc2)CC1,ADJGDTXXLUKYBZ-UHFFFAOYSA-N
-rxn:5:193506:227980:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2ccnc(N3CCCCC3)c2)CC1,MGOVNOCYIVUVFV-UHFFFAOYSA-N
-rxn:5:193506:227988:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CC4)c3F)cc2-c2ccnc(N3CCCCC3)c2)CC1,WFFWULVVUGZOJF-UHFFFAOYSA-N
-rxn:5:193506:227997:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2ccc(N3CCCCC3)nc2)CC1,IFZUBCPTQRBJNV-UHFFFAOYSA-N
-rxn:5:193506:227997:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2ccnc(N3CCCCC3)c2)CC1,WSCQJVSRYUWFDF-UHFFFAOYSA-N
-rxn:5:193506:227998:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,JSBUFKGXSZQENW-UHFFFAOYSA-N
-rxn:5:193506:227998:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,DZQWXPIOVQJQAY-UHFFFAOYSA-N
-rxn:5:193506:228007:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,KNZIGIMKOSAFEA-UHFFFAOYSA-N
-rxn:5:193506:228007:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3C3CC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,LPDSYUZFUUTQPL-UHFFFAOYSA-N
-rxn:5:193506:228012:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2csc(N3CCNCC3)n2)CC1,DMDBCVOTCZOEMJ-UHFFFAOYSA-N
-rxn:5:193506:228012:226395,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2cncc(N3CCCCC3)c2)CC1,FYHGURNGRFKNAX-UHFFFAOYSA-N
-rxn:5:193506:228012:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2cnc(N3CCSCC3)nc2)CC1,SJFFIGDPVVLMEL-UHFFFAOYSA-N
-rxn:5:193506:228012:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(N3CCCCC3)s2)CC1,QRNKJYSMODQDFE-UHFFFAOYSA-N
-rxn:5:193506:228018:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CC4)c3)cc2-c2ccc(N3CCCCC3)nc2)CC1,YVCHKJDFPCTIGR-UHFFFAOYSA-N
-rxn:5:193506:228018:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CC4)c3)cc2-c2ccnc(N3CCCCC3)c2)CC1,RLVQEWSEOSUEEG-UHFFFAOYSA-N
-rxn:5:193506:228020:226395,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2cncc(N3CCCCC3)c2)CC1,KFUVOWBKQCXGTR-UHFFFAOYSA-N
-rxn:5:193506:228218:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ncc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,UGWVPSGEJIPSJH-UHFFFAOYSA-N
-rxn:5:193506:228221:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HCGJHIQSFSEPCE-UHFFFAOYSA-N
-rxn:5:193506:228234:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCNCC3)cc2)CC1,VAEMMSJRMOOYNE-UHFFFAOYSA-N
-rxn:5:193506:228234:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,JCWQLXGWWWMGRW-UHFFFAOYSA-N
-rxn:5:193506:228234:226164,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCCCC3)cc2)CC1,HQYXHDSIVHZKKT-UHFFFAOYSA-N
-rxn:5:193506:228236:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,NOJJWGWBKAGWCE-UHFFFAOYSA-N
-rxn:5:193506:228236:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,ZCRWNMDVIXLGTF-UHFFFAOYSA-N
-rxn:5:193506:228236:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HQGZTRDQFOLZIA-UHFFFAOYSA-N
-rxn:5:193506:228236:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCCCC3)s2)CC1,PCAQCLPNVKZXMX-UHFFFAOYSA-N
-rxn:5:193506:228580:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CC3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,VVGKOYQSYHWUTA-UHFFFAOYSA-N
-rxn:5:193506:228584:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CC4)c3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,KHKNETDIGVNWKV-UHFFFAOYSA-N
-rxn:5:193506:229085:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3scnc3C3CC3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,FPYRBGBULZUTHY-UHFFFAOYSA-N
-rxn:5:193753:223189:227048,CC(C)C(=O)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(NS(C)(=O)=O)cc3F)c2)cc1,OQXVQMBNHKAXIG-UHFFFAOYSA-N
-rxn:5:193754:223018:223285,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2-c2ccccc2NS(C)(=O)=O)CC1,VMWLSOILFVJRMJ-UHFFFAOYSA-N
-rxn:5:193754:225672:223388,CC1CCN(C(=O)c2cccc(-c3cc(F)nc(C4CCCCC4)c3)c2-c2ccc(S(=O)(=O)O)cc2)CC1,PVQMPNRYPXDHFR-UHFFFAOYSA-N
-rxn:5:193754:225849:227710,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,WZWQAMRCROMBIU-UHFFFAOYSA-N
-rxn:5:193754:226658:227710,CC1CCN(C(=O)c2cccc(-c3ccc(N4CCCC4)nc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,OGNLKUOXRNPJOH-UHFFFAOYSA-N
-rxn:5:193754:226664:227710,CC1CCN(C(=O)c2cccc(-c3cc(N4CCCC4)ncc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,QHAHRLHKWNHHLC-UHFFFAOYSA-N
-rxn:5:193754:226679:227710,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,BPXXAUPWNNEEQV-UHFFFAOYSA-N
-rxn:5:193754:228234:225987,CC1CCN(C(=O)c2cccc(-c3c(C4CC4)ccnc3F)c2-c2ccc(N3CCCS3(=O)=O)cc2)CC1,LZJABVZMIUTQAZ-UHFFFAOYSA-N
-rxn:5:193755:226664:227710,CC1CCCN(C(=O)c2cccc(-c3cc(N4CCCC4)ncc3F)c2-c2ccc(OS(C)(=O)=O)cc2)C1,JUCDDNFRRBYIMM-UHFFFAOYSA-N
-rxn:5:193755:226679:227710,CC1CCCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)C1,KVZNGEPVGBZRDC-UHFFFAOYSA-N
-rxn:5:193756:226611:226744,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(C(F)(F)F)c(CC)c2)c1,UEVZHFZXHDRHAL-UHFFFAOYSA-N
-rxn:5:193756:226747:226779,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)cc3)c2)cc1C(F)(F)F,YPNVODPLWSBOBK-UHFFFAOYSA-N
-rxn:5:193866:226059:227811,CC(C)Cc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C(C)C)cc2C(C)C)cc1,JVXDIDWKHKJNCF-UHFFFAOYSA-N
-rxn:5:193866:228504:225637,CN1CCN(c2ccccc2-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc3c2CCC3)CC1,GCIOFENROVJWLU-UHFFFAOYSA-N
-rxn:5:193889:225639:223065,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cccnc3N3CCC(C)CC3)c2C)c(-c2ccc(N3CCNCC3)cc2F)n1,XAAIHQLODZZRTN-UHFFFAOYSA-N
-rxn:5:193972:223378:227755,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(F)(F)F)ccc1F,SCLGGPFMOREVRY-UHFFFAOYSA-N
-rxn:5:193972:225793:225987,COc1cccc(-n2cc(-c3cc(C)c(-c4ccc(N5CCCS5(=O)=O)cc4)cc3S(=O)(=O)N3CCCCCC3)cn2)c1,WNFBCYXAMCBAMI-UHFFFAOYSA-N
-rxn:5:193972:225871:225974,Cc1nnc(-c2ccc(-c3cc(S(=O)(=O)N4CCCCCC4)c(-c4cccc(N5C(=O)C=CC5=O)c4)cc3C)cc2F)o1,QMQWPLTZWUFCAM-UHFFFAOYSA-N
-rxn:5:193972:226164:226364,Cc1cc(-c2ccc(N3CCCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,UNIOTUJNSMWNGJ-UHFFFAOYSA-N
-rxn:5:194058:223054:225666,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCC(O)C1,GQNQUGYQQXXGOA-UHFFFAOYSA-M
-rxn:5:194058:223054:225679,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,OINNQDJNYSDBMS-UHFFFAOYSA-M
-rxn:5:194058:223054:225833,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCC(O)C1,SLZQSTFIJAOSSN-UHFFFAOYSA-M
-rxn:5:194058:223054:225849,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,HRRQVDISQPQRRD-UHFFFAOYSA-M
-rxn:5:194058:225456:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCCCC1,OSNCWKZLZYYLSZ-UHFFFAOYSA-M
-rxn:5:194058:225465:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCCCC1,XSCREGIVSUWIKJ-UHFFFAOYSA-M
-rxn:5:194058:225470:223054,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)cc2)CC1,VYXCBWUOVVFVEU-UHFFFAOYSA-M
-rxn:5:194058:225607:225454,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3=CCN(C)CC3)cc2)s1)N1CCCCC1,WRMRNAQBEYOTEC-UHFFFAOYSA-M
-rxn:5:194058:225607:225655,CC1CCN(c2cncc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,MJZLNGOZVFMSDF-UHFFFAOYSA-M
-rxn:5:194058:225607:225666,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCCCC1,BRFHUPXEHRPCJI-UHFFFAOYSA-M
-rxn:5:194058:225607:225804,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(=O)N3CCC3)c(F)c2)s1)N1CCCCC1,XSIHSRUNEKCDML-UHFFFAOYSA-M
-rxn:5:194058:225607:225872,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)c(F)c(N3CCCC3)c2)s1)N1CCCCC1,AJCLWOWSOVKOAT-UHFFFAOYSA-M
-rxn:5:194058:225655:225607,CC1CCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,ZAYBNFIFNODPMN-UHFFFAOYSA-M
-rxn:5:194058:225666:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCC(O)C1,FDEVKSOUVJOIHO-UHFFFAOYSA-M
-rxn:5:194058:225679:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCCCC1,FRMSXHLVERPTKW-UHFFFAOYSA-M
-rxn:5:194058:225805:225934,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C(F)(F)F)c(C3CC3)c2)s1)N1CCOCC1,ZJRCOOZTBRLSIU-UHFFFAOYSA-M
-rxn:5:194058:225833:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCC(O)C1,OIQGKRVITQBHEL-UHFFFAOYSA-M
-rxn:5:194058:225834:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCC(O)C1,ODCUPHSINMELQY-UHFFFAOYSA-M
-rxn:5:194058:225849:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,KKRSGZRKXLTYQE-UHFFFAOYSA-M
-rxn:5:194399:225833:225985,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CC2CC2C1,RTCAGZQPMADMCL-UHFFFAOYSA-N
-rxn:5:194399:225834:225985,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CC2CC2C1,FXBBNOBXIDIOMX-UHFFFAOYSA-N
-rxn:5:194522:225833:225987,CC(C)CN1CCc2c1ccc(-c1ccnc(N3CCCCC3)c1F)c2-c1ccc(N2CCCS2(=O)=O)cc1,COVLOFQEDQRMEB-UHFFFAOYSA-N
-rxn:5:196198:225849:225986,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,SKQJQERVOWNCON-UHFFFAOYSA-N
-rxn:5:196408:225986:225636,CC1CCN(c2cc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,ZDWKFFBKJSRFJS-UHFFFAOYSA-N
-rxn:5:196408:225986:225638,CC1CCN(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,BGWYHVYDGSBLGI-UHFFFAOYSA-N
-rxn:5:196408:225986:225639,CC1CCN(c2ncccc2-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)CC1,UMNGRFQQXXQVCB-UHFFFAOYSA-N
-rxn:5:196408:227610:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccn(C3CCCCO3)n2)c1,GTPQFFIQIRJGDS-UHFFFAOYSA-N
-rxn:5:196858:222986:222987,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)n1,MDQXPUASCGSNCC-UHFFFAOYSA-N
-rxn:5:196858:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cncc(C2CCCNC2)c1,BXGBTLUQVTXIGY-UHFFFAOYSA-N
-rxn:5:196858:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCSCC2)nc1,VGSFUVAELCZHTF-UHFFFAOYSA-N
-rxn:5:196871:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncnc2C2CCCCC2)cc1N1CCOCC1,ISBPUGOMOZFSFF-UHFFFAOYSA-N
-rxn:5:196917:225834:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,WSKXBOBVGUHDTO-UHFFFAOYSA-N
-rxn:5:196917:225926:226679,CC1(C)COC(c2cc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,ISZPKLPTUVFYSG-UHFFFAOYSA-N
-rxn:5:196917:225985:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HTBBJZPLSUGNPB-UHFFFAOYSA-N
-rxn:5:196919:225985:225834,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(N3CCCCC3)ncc2F)=N1,VTIJUZAKNQNCJH-UHFFFAOYSA-N
-rxn:5:196919:226679:225926,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,VUADTRVFSMJMOJ-UHFFFAOYSA-N
-rxn:5:196923:225833:225986,O=C1CCCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,MDPHKOFBRNNEEA-UHFFFAOYSA-N
-rxn:5:196923:225849:225986,O=C1CCCCN1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,MYXKLCMRWFSYMS-UHFFFAOYSA-N
-rxn:5:196969:226652:223063,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)n(C2CCCCO2)n1,FTLUNOKQTLZZBU-UHFFFAOYSA-N
-rxn:5:196979:225639:225985,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)CC1,SHMGNMJROHREID-UHFFFAOYSA-N
-rxn:5:197876:223018:226201,CC(C)n1cc2cc(-c3cc4c(cc3-c3ccc5c(c3)NC(=O)C(C)(C)O5)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2n1,JNDQHODTJGVNPM-UHFFFAOYSA-N
-rxn:5:197876:223113:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,BZECCNKGICFAIH-UHFFFAOYSA-N
-rxn:5:197876:223113:227828,Cc1c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C1CC1,PLSLBVDUWBEAEE-UHFFFAOYSA-N
-rxn:5:197876:225498:228678,CC(C)Cn1nccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SMONRLTXVSOPJP-UHFFFAOYSA-N
-rxn:5:197876:227018:223295,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cncc(NS(C)(=O)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JASPAFVXWHHLLI-UHFFFAOYSA-N
-rxn:5:197876:227830:226084,CC1(c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(=O)CCCC5)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,SMIVCESWVIFZJJ-UHFFFAOYSA-N
-rxn:5:197876:227907:226062,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UWDWMRALJBAHMZ-UHFFFAOYSA-N
-rxn:5:197876:227907:226582,CCC(C)c1cncc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PQQQICQKGVXSCF-UHFFFAOYSA-N
-rxn:5:197876:227988:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cccc(C3CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,JQXOBTVOPWHYRH-UHFFFAOYSA-N
-rxn:5:197876:228227:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,IKJNCNCCLCKNBA-UHFFFAOYSA-N
-rxn:5:227863:178295:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc3c(c2)CCCO3)CCC(=O)CC1,ARVWSFCGZJLTRD-UHFFFAOYSA-N
-rxn:5:227868:178295:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc3c(c2)OCCC3)CCC(=O)CC1,PNLYEVJOOXHLIU-UHFFFAOYSA-N
-rxn:5:227869:178295:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)CC(C)O3)CCC(=O)CC1,XHJWIJHHCWSFSN-UHFFFAOYSA-N
-rxn:5:227903:178295:227071,CCN(C)c1cccc(-c2ccc(-c3c(C)cc(COC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OBASPJDSCRRHKR-UHFFFAOYSA-N
-rxn:5:227906:178295:226143,CCC(C)c1ncccc1-c1ccc(-c2cc(C)c(OC(C)C)c(C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,XHEGUWYBSPHFJO-UHFFFAOYSA-N
-rxn:5:227906:178295:226581,CCC(C)c1ncccc1-c1ccc(-c2cccc(C(=O)N(C)C)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,RRAGUAPFQFQHBX-UHFFFAOYSA-N
-rxn:5:227917:178295:226917,CCc1ccc(OC)c(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BETQSQXPMAYXGC-UHFFFAOYSA-N
-rxn:5:227920:178295:227540,CCC(=O)c1ccc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,PEAIDGBZBMVFFY-UHFFFAOYSA-N
-rxn:5:227923:178295:226974,CCOc1ccc(C)cc1-c1ccc(-c2ccc3c(c2)COC3(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,XBRVYNIMKREZPO-UHFFFAOYSA-N
-rxn:5:227927:178295:223189,CCC(=O)c1cccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BXXZDFAKGYVCBD-UHFFFAOYSA-N
-rxn:5:227935:178295:227087,CCc1cc(-c2ccc(-c3cc(C)cnc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,XDPFMHBHXNFQKH-UHFFFAOYSA-N
-rxn:5:227935:178295:228002,CCc1cc(-c2ccc(-c3sccc3C3CCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,ONTKMAMJKSXOSH-UHFFFAOYSA-N
-rxn:5:227939:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccccc3C(C)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,KNQUHFZQFPKEOM-UHFFFAOYSA-N
-rxn:5:227940:178295:223270,CCc1cc(SC)cc(-c2ccc(-c3ccc(F)cc3NC(C)=O)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OCRHCIFZJDFYLG-UHFFFAOYSA-N
-rxn:5:227943:178295:227039,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)cc3)ccc2-c2cc(C)ccc2N(C)C)CCC(=O)CC1,HVFPKUAKAXJBGD-UHFFFAOYSA-N
-rxn:5:227946:178295:227046,COC(=O)C1(c2cc(-c3cc(C)cc(OC(C)C)c3)ccc2-c2ccc(C(C)(C)C)nc2)CCC(=O)CC1,PIELAYMNEPJTCL-UHFFFAOYSA-N
-rxn:5:227950:178295:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(N(C)C)ccc2C)CCC(=O)CC1,JOPWWNLFUPFMBR-UHFFFAOYSA-N
-rxn:5:227965:178295:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2c(C)ccnc2C(C)C)CCC(=O)CC1,IZPJPFMUWGSZAX-UHFFFAOYSA-N
-rxn:5:227977:178295:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LLWZOMNJADKZLO-UHFFFAOYSA-N
-rxn:5:227989:178295:226062,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JDJNRNCNIYGWRN-UHFFFAOYSA-N
-rxn:5:227995:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C)cc(C)c2OC)CCC(=O)CC1,LHSXWYYFSIAAGE-UHFFFAOYSA-N
-rxn:5:227998:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccc(F)cc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,OOXPDYIUQBIBGM-UHFFFAOYSA-N
-rxn:4:173303:222540,CCOC(=O)C(=O)CC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,CLHOMZIVHPWZBA-UHFFFAOYSA-N
-rxn:4:173492:223998,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c(COc2ccc(OC(C)=O)cc2F)c1,JCTPWDOZVHPLQW-UHFFFAOYSA-N
-rxn:4:173579:222632,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)c1,FMQWNDGSTOJNFX-UHFFFAOYSA-N
-rxn:4:173611:222540,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)C2=O,FOBSVDYUMRTCGL-UHFFFAOYSA-N
-rxn:4:173654:222905,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cccnc3NC(=O)OC(C)(C)C)c1)C2=O,DELQNDZUCUOSIL-UHFFFAOYSA-N
-rxn:4:173656:223556,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cc1)C2=O,NJCZZVXHVZUNLT-UHFFFAOYSA-N
-rxn:4:173657:222908,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cncc(NC(=O)OC(C)(C)C)c1)C2=O,OLAYGYZNMANRIV-UHFFFAOYSA-N
-rxn:4:173673:224279,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc1OC)C2=O,NHHDCQOYLFZYSM-UHFFFAOYSA-N
-rxn:4:173675:224426,Cc1oc2cc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,JTVVPKNTWDJRAI-UHFFFAOYSA-N
-rxn:4:173684:222632,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc1)C2=O,USSJKECULVBKFL-UHFFFAOYSA-N
-rxn:4:173684:226844,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O,ZXMDIOMNURSCDH-UHFFFAOYSA-N
-rxn:4:173700:222540,COc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,MNWCFSKUEIKJTP-UHFFFAOYSA-N
-rxn:4:173700:222632,COc1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,NRXWZAFJUQIKPP-UHFFFAOYSA-N
-rxn:4:173705:222540,CCCC(=O)c1cc2c(oc1=O)c(-c1cccc(C(=O)NCCN3CCCCC3)c1)cc1oc(C)c(C(=O)OCC)c12,AFXVKXHYTSGKLM-UHFFFAOYSA-N
-rxn:4:173705:224612,CCCC(=O)c1cc2c(oc1=O)c(-c1ccc(OCCN3CCOCC3)cc1)cc1oc(C)c(C(=O)OCC)c12,GGHPAHLFAXURHY-UHFFFAOYSA-N
-rxn:4:173723:222540,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,ZYGJMOIIQCPRJK-UHFFFAOYSA-N
-rxn:4:173723:222541,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1,HIWUHCUIVOKADZ-UHFFFAOYSA-N
-rxn:4:173723:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,BLUQPRZTMVMNLJ-UHFFFAOYSA-N
-rxn:4:173723:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cs1,OETZEWKIAOIJBO-UHFFFAOYSA-N
-rxn:4:173723:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,GRLHVKVLIPJHIW-UHFFFAOYSA-N
-rxn:4:173723:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(C(F)(F)F)c2)C1,YIDLVDXJDIYDLD-UHFFFAOYSA-N
-rxn:4:173723:224060,COc1c(C(C)(C)C)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1C(C)(C)C,JOCQSSOUJDJGEV-UHFFFAOYSA-N
-rxn:4:173723:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,UAQKUTGBFHAPTD-UHFFFAOYSA-N
-rxn:4:173723:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,BIEOIXVGOPGRCK-UHFFFAOYSA-N
-rxn:4:173723:224412,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1,GGDBKARUSKKBDO-UHFFFAOYSA-N
-rxn:4:173723:224501,CN1CCCCC1COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,RKWGLMXOFSOSMO-UHFFFAOYSA-N
-rxn:4:173723:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BLJQNXRTHCTLGP-UHFFFAOYSA-N
-rxn:4:173723:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,VWJHIJVWMOIIHE-UHFFFAOYSA-N
-rxn:4:173723:224649,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1,WBJVTFOSCPVKBS-UHFFFAOYSA-N
-rxn:4:173723:224656,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1OC1CCCC1,WWSZHHYTXFLDTD-UHFFFAOYSA-N
-rxn:4:173723:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,UCASPQZDAITQEI-UHFFFAOYSA-N
-rxn:4:173723:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C)c1,HTGBRKNVIUCGIY-UHFFFAOYSA-N
-rxn:4:173723:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,PUCXTHBDSKYOQS-UHFFFAOYSA-N
-rxn:4:173723:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,YTIQLMCHTYLXJX-UHFFFAOYSA-N
-rxn:4:173723:224737,CC(C)COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,VPVKQDJFBKFQDM-UHFFFAOYSA-N
-rxn:4:173723:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,HRGHLCLTQGJTKC-UHFFFAOYSA-N
-rxn:4:173723:224770,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(S(=O)(=O)N2CCCC2)c1,BRGAEKHECNEUBV-UHFFFAOYSA-N
-rxn:4:173723:224802,COC(OC)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,FMUGQJSPWJWVNH-UHFFFAOYSA-N
-rxn:4:173723:224805,CCOC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,MOMZHHZFMDKAAJ-UHFFFAOYSA-N
-rxn:4:173723:224819,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,JIKNDNZNQBNHMZ-UHFFFAOYSA-N
-rxn:4:173763:223979,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1,WDYZMHFLYBQYGD-UHFFFAOYSA-N
-rxn:4:173802:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2C)cc1,XMENHPZRMUOBAN-UHFFFAOYSA-N
-rxn:4:173802:222436,O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,OVRLVSVTDQJNBK-UHFFFAOYSA-N
-rxn:4:173802:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)cc1,WBUGCJPTKQQWRR-UHFFFAOYSA-N
-rxn:4:173802:222604,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCC1,KCJRCVGJEXWAPH-UHFFFAOYSA-N
-rxn:4:173802:222656,O=C(NC1CCCCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,VILKAYKITASUQM-UHFFFAOYSA-N
-rxn:4:173802:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,HYQGPRPYQBRWCU-UHFFFAOYSA-N
-rxn:4:173802:222776,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,MURXBZHCBFSVCP-UHFFFAOYSA-N
-rxn:4:173802:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GCWVVSIMUACQEU-UHFFFAOYSA-N
-rxn:4:173802:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,QHCMPSAGGXXOSP-UHFFFAOYSA-N
-rxn:4:173802:222803,O=S(=O)(OC(c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,KDABAWNXLFNWCW-UHFFFAOYSA-N
-rxn:4:173802:222855,COc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CCCNC2)c1,YVJXYPKJHGIFTM-UHFFFAOYSA-N
-rxn:4:173802:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GPMFKLWEQZBAME-UHFFFAOYSA-N
-rxn:4:173802:222859,CN(C)CCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,CCCNOZXRETZLMC-UHFFFAOYSA-N
-rxn:4:173802:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,NELIVMXQQVKWGJ-UHFFFAOYSA-N
-rxn:4:173802:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,YZAJAMJAAQGACV-UHFFFAOYSA-N
-rxn:4:173802:222961,CCCCNC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,LZTMYTXXOYUMHY-UHFFFAOYSA-N
-rxn:4:173802:222994,O=S(=O)(OC(c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1)C(F)(F)F)C(F)(F)F,LPWQSZHEYOEENP-UHFFFAOYSA-N
-rxn:4:173802:222998,O=S(=O)(OC(c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1)C(F)(F)F)C(F)(F)F,BDRCEDGAGCXYCE-UHFFFAOYSA-N
-rxn:4:173802:223026,CCCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,FFARFSXWJVQAPQ-UHFFFAOYSA-N
-rxn:4:173802:223094,CC(=O)Nc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1[N+](=O)[O-],YQWLJDBABHZYEZ-UHFFFAOYSA-N
-rxn:4:173802:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2C)CC1,XPJOJFXSZWPVNJ-UHFFFAOYSA-N
-rxn:4:173802:223681,CC(C)(C)OC(=O)n1c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc2cc([N+](=O)[O-])ccc21,OTTGRVRWBSFEPL-UHFFFAOYSA-N
-rxn:4:173802:223690,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1S(=O)(=O)c1ccc(C)cc1,PKFROHFPSGVOIC-UHFFFAOYSA-N
-rxn:4:173802:223901,CC1CCN(CCOc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2Cl)CC1,VGKDKEPWDZJINY-UHFFFAOYSA-N
-rxn:4:173802:224244,CC1CCN(C(=O)c2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2Cl)CC1,SXPDNEZFAHNXHT-UHFFFAOYSA-N
-rxn:4:173802:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,BWVPSEYJXWMOTE-UHFFFAOYSA-N
-rxn:4:173802:224352,O=S(=O)(OC(c1ccc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,DLQXXNJOMPUBBS-UHFFFAOYSA-N
-rxn:4:173802:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)CC1,GHVBTYDEIRTQMY-UHFFFAOYSA-N
-rxn:4:173802:224372,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1)N1CCCC1,AIUJWNHYCAPSOE-UHFFFAOYSA-N
-rxn:4:173802:224378,O=S(=O)(OC(c1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,IQCVHOIAQMQMRJ-UHFFFAOYSA-N
-rxn:4:173802:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,YYALPFUJMJBVBZ-UHFFFAOYSA-N
-rxn:4:173802:224410,O=S(=O)(OC(c1ccc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,IPHDCYRSVIPIKH-UHFFFAOYSA-N
-rxn:4:173802:224414,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1)C(F)(F)F)C(F)(F)F,XTDLVSORXJSWIJ-UHFFFAOYSA-N
-rxn:4:173802:224501,CN1CCCCC1COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,WUQFKOKAOGOEEQ-UHFFFAOYSA-N
-rxn:4:173802:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)CC1,GLBCZJYBYZWKFI-UHFFFAOYSA-N
-rxn:4:173802:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,XDMDHRXNYVPVSC-UHFFFAOYSA-N
-rxn:4:173802:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,ZBBPEXASARLJCE-UHFFFAOYSA-N
-rxn:4:173802:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,JZBQRIDUCQYOQP-UHFFFAOYSA-N
-rxn:4:173802:224682,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl)N1CCCCC1,KPLTZJYCQYDVRF-UHFFFAOYSA-N
-rxn:4:173802:224738,O=S(=O)(OC(c1ccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,DCQKMRFUWBPARK-UHFFFAOYSA-N
-rxn:4:173802:224750,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl)N1CCOCC1,PWSFXXKFWCADNY-UHFFFAOYSA-N
-rxn:4:173802:224762,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F)N1CCOCC1,PTRPBIDGCOZOMV-UHFFFAOYSA-N
-rxn:4:173802:224819,O=S(=O)(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCOCC1,ROBFKXVLVLSQTP-UHFFFAOYSA-N
-rxn:4:173802:224830,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)C(F)(F)F)C(F)(F)F,VWUVQZMWERWUJJ-UHFFFAOYSA-N
-rxn:4:173802:224867,O=S(=O)(OC(c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,ALFCWPFBRCPPRE-UHFFFAOYSA-N
-rxn:4:173802:224884,CC1CCN(Cc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,GYKBXIYVHHSRQJ-UHFFFAOYSA-N
-rxn:4:173802:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,AQKIVSBDZNKKTA-UHFFFAOYSA-N
-rxn:4:173802:224953,O=S(=O)(OC(c1ccc(-c2ccc(OCC3CCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,YTUIQSRIYAGZQR-UHFFFAOYSA-N
-rxn:4:173802:224956,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,FRKUZUCEMCYHKO-UHFFFAOYSA-N
-rxn:4:173802:225007,O=S(=O)(OC(c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1)C(F)(F)F)C(F)(F)F,FJHWZEFQCZKIID-UHFFFAOYSA-N
-rxn:4:173802:225157,O=C(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCSCC1,XVPILIFYXAZUSJ-UHFFFAOYSA-N
-rxn:4:173802:225166,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F)N1CCCC1,ZWXDXWMYQRFUEW-UHFFFAOYSA-N
-rxn:4:173802:225218,CC1CCCN(c2ncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2Cl)C1,RFFNFWADPFNDHS-UHFFFAOYSA-N
-rxn:4:173802:225227,CC1CCN(c2ncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2Cl)CC1,NWDLDUPYVCAGJO-UHFFFAOYSA-N
-rxn:4:173802:225234,O=S(=O)(OC(c1ccc(-c2ccc(N3CCCCC3)c(F)c2F)cc1)C(F)(F)F)C(F)(F)F,AWOFEFNCBWSDBL-UHFFFAOYSA-N
-rxn:4:173802:225275,COCCOc1c(F)c(C)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,PUVUJIVDLNHJAH-UHFFFAOYSA-N
-rxn:4:173802:225281,CC(C)(C)OC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(Cl)n1,PTQGVHKWBITGFU-UHFFFAOYSA-N
-rxn:4:173802:225301,O=S(=O)(OC(c1ccc(-c2cc(OC3CCOCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,TUNBSIOPLLQSPM-UHFFFAOYSA-N
-rxn:4:173802:225302,CC(C)(C)c1cnc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,SVNMRNRBTBGWEK-UHFFFAOYSA-N
-rxn:4:173802:225313,CN1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)n2)CC1,XQFGULUJZGUZQO-UHFFFAOYSA-N
-rxn:4:173802:225375,O=S(=O)(OC(c1ccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)F)C(F)(F)F,HCOQZNGQLZCGSO-UHFFFAOYSA-N
-rxn:4:173802:225452,O=S(=O)(OC(c1ccc(-c2ccc(OC3C=CCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,DPJIHOUJYUAUCY-UHFFFAOYSA-N
-rxn:4:173802:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,YKMNNBHKCPNFSG-UHFFFAOYSA-N
-rxn:4:173802:225613,O=S(=O)(OC(c1ccc(-c2ccnc(OC3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,VLKQXSNTKUAWKD-UHFFFAOYSA-N
-rxn:4:173802:225679,O=S(=O)(OC(c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,RODBRUBMVYJJPP-UHFFFAOYSA-N
-rxn:4:173802:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,FSBDWYHHAUEGFL-UHFFFAOYSA-N
-rxn:4:173802:225761,CC(C)Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c([N+](=O)[O-])c1,JHKWIEJSHZMUIX-UHFFFAOYSA-N
-rxn:4:173802:225804,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F)N1CCC1,VRJFSVIDMDUTHT-UHFFFAOYSA-N
-rxn:4:173802:225903,CON(C)C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,UJLXFRLJEMOBTG-UHFFFAOYSA-N
-rxn:4:173802:225982,O=S(=O)(OC(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,VJDFDTIYBQQQKP-UHFFFAOYSA-N
-rxn:4:173802:226000,CC(=O)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1[N+](=O)[O-],DWIVQMBWZFUHFH-UHFFFAOYSA-N
-rxn:4:173802:226034,COc1c(Cl)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(F)(F)F,OPDMVRZNXIHERX-UHFFFAOYSA-N
-rxn:4:173802:226040,Cc1c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],GWOGNWWQOKFPTN-UHFFFAOYSA-N
-rxn:4:173802:226052,O=S(=O)(OC(c1ccc(-c2c(F)ccc(OC(F)(F)F)c2F)cc1)C(F)(F)F)C(F)(F)F,VPEWWXSWGKQORC-UHFFFAOYSA-N
-rxn:4:173802:226429,CC1CCCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)s2)C1,AJSSKVYYPSCFAI-UHFFFAOYSA-N
-rxn:4:173802:226583,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1)C(F)(F)F)C(F)(F)F,SEBNSOGTWHIQRY-UHFFFAOYSA-N
-rxn:4:173848:223753,CCOC(=O)CC(=O)c1ccc(Cl)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,FBEHIUHCGVDVND-UHFFFAOYSA-N
-rxn:4:174133:223583,COC(=O)c1ccc2c(-c3cccc(OC(C(=O)OC)C(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,IYOCWEIBIFQUBH-UHFFFAOYSA-N
-rxn:4:174317:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)OC)cc2OCC(C)(C)C)c1,WLWLHYQBAOSLJX-UHFFFAOYSA-N
-rxn:4:174406:222868,COC(=O)C1(c2ccc(-c3ccccc3NC(=O)OC(C)(C)C)cc2)CC(OC)(OC)C1,KQWRBQSBZAVVHC-UHFFFAOYSA-N
-rxn:4:174406:224687,COC(=O)C1(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)CC(OC)(OC)C1,ZPTZCIVVKQWYAW-UHFFFAOYSA-N
-rxn:4:174407:223881,COC(=O)C1(c2cccc(-c3cc4ccc(C)cc4n3C(=O)OC(C)(C)C)c2)CC(OC)(OC)C1,NYMWXIZKUPAUEJ-UHFFFAOYSA-N
-rxn:4:174407:224459,COC(=O)C1(c2cccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c2)CC(OC)(OC)C1,FNRNKRFJCLEYTG-UHFFFAOYSA-N
-rxn:4:174433:224425,CCCC1CCC(c2ccccc2-c2ccc(OC(C)C)cc2C(=O)OC(C)(C)C)CC1,YWSPPMJEPKSDJP-UHFFFAOYSA-N
-rxn:4:174489:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccccc2C(=O)CCCC2OCC(C)(C)CO2)c1,LVSFBLAKQPDFMD-UHFFFAOYSA-N
-rxn:4:174508:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)c2)CC1,GYVXCJOSGWPSAP-UHFFFAOYSA-N
-rxn:4:174514:222636,CC(C)[Si](Oc1cccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1)(C(C)C)C(C)C,AXROAIUSGNWNLI-JOCHJYFZSA-N
-rxn:4:174522:223931,CC(C)[Si](C#Cc1ccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,QZPKXKRXMXVSKG-UHFFFAOYSA-N
-rxn:4:174603:222836,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(NC(=O)CC(C)(C)C)cc3)cc1)C2=O,FUHXRRIUUMZQRJ-UHFFFAOYSA-N
-rxn:4:174649:226119,COc1ccc(-c2cc(C)ccc2OCC2CC2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,VPDKOAZDFYCMNU-UHFFFAOYSA-N
-rxn:4:174726:223753,Cc1ccc(-c2cccc(C(=O)CC(=O)C(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,KFGPLBLNSFEZCE-UHFFFAOYSA-N
-rxn:4:175089:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(COS(C)(=O)=O)cc2C(F)(F)F)cc1,GVBHWFKOAFKVAA-UHFFFAOYSA-N
-rxn:4:175119:223559,CCOc1cc(COC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,KIIUVLCBWJORAZ-UHFFFAOYSA-N
-rxn:4:175872:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1COC1CCCC1,AFVJFUARVXKAFK-UHFFFAOYSA-N
-rxn:4:175964:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1cccc(C)c1,HQDRLGQXOWGGOE-UHFFFAOYSA-N
-rxn:4:175996:224587,CC1CCN(Cc2ccc(-c3ccc(OC4CC4)c(SC4CCOCC4)c3)cc2F)CC1,KIEMTQCIWOCYML-UHFFFAOYSA-N
-rxn:4:176050:223712,COc1ccc(-c2c(C3OCCCO3)cc(OC)c(OC)c2OC)cc1C12CC3CC(CC(C3)C1)C2,GSJODWFENQCHAK-UHFFFAOYSA-N
-rxn:4:176254:222637,CCOc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)ccc1OC)C2=O,XJDSBQBTYWWSBC-UHFFFAOYSA-N
-rxn:4:176306:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21,VHEMTZOREWOGMJ-UHFFFAOYSA-N
-rxn:4:176325:223559,COC(=O)C(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)co1,YCUZSKHTIRGFHP-UHFFFAOYSA-N
-rxn:4:176508:223712,C#Cc1cc(C(=O)OC)c(F)c(F)c1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,MXYDXZSIKMMBBU-UHFFFAOYSA-N
-rxn:4:177710:223559,CC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(C)C,BQYGGQINURVYBA-UHFFFAOYSA-N
-rxn:4:178384:223218,Cc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc2c1NCCO2,XFLFOHKQWGJVJG-UHFFFAOYSA-N
-rxn:4:178384:228278,COc1cc(C)c(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SNCVWRAMHKOWMR-UHFFFAOYSA-N
-rxn:4:178384:228821,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F,WSGYLZUIOJZVCX-UHFFFAOYSA-N
-rxn:4:178384:229071,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccn1,ROBPCLQHFYKEOS-UHFFFAOYSA-N
-rxn:4:178597:228510,CC(C)c1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FQUDJMDUFZYFRY-UHFFFAOYSA-N
-rxn:4:178597:228649,Cc1cc(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)c1,CWWRMURBLRIZAU-UHFFFAOYSA-N
-rxn:4:178597:229026,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)cn1,XUARYNYTSUOLGP-UHFFFAOYSA-N
-rxn:4:178598:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C3OC4CCCCC4c4cc(OC)c(OC)cc43)c2)c1,CNKCOWJUPCWMBX-UHFFFAOYSA-N
-rxn:4:179443:223534,COC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(F)c1C,JYTWPEUKYHWFTG-UHFFFAOYSA-N
-rxn:4:179653:223895,CCN1CCN(CCOc2ccc(-c3cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c3)cc2)CC1,TWSDOTGEPZJTDM-UHFFFAOYSA-N
-rxn:4:180447:222632,CC1(C)OC(=O)C(Cc2ccccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C(=O)O1,STAKMTIXXMLCJA-UHFFFAOYSA-N
-rxn:4:180609:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc3c2CC(C(=O)C(F)(F)F)C3=O)c1,ATVYVUGMVBQFKN-UHFFFAOYSA-N
-rxn:4:180611:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)c1,BASOTSIPAWCHPS-UHFFFAOYSA-N
-rxn:4:182095:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CCC(C)CC4)cc3)c(F)cc2C)CC1,IBXQFDYWUOZYLQ-UHFFFAOYSA-N
-rxn:4:182372:224063,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)cc1C2=O,VPSKVBIWRJWXKU-ZADXJPLHSA-N
-rxn:4:182376:225213,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3C2=O)C[C@@H]1C,CEQFQPQEDDUULD-CCMMMYSXSA-N
-rxn:4:183273:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GPROBBLJTBGQDV-UHFFFAOYSA-N
-rxn:4:183273:226783,COc1cc(F)c(F)c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MBNDXOHYTZACLF-UHFFFAOYSA-N
-rxn:4:183273:228177,COCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RLFAVVIGRMZLAZ-UHFFFAOYSA-N
-rxn:4:183273:228901,COc1cc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XKXKOBRTIFKABI-UHFFFAOYSA-N
-rxn:4:183274:228411,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1F,IAAWNGHYRANENO-UHFFFAOYSA-N
-rxn:4:183274:228422,COc1c(Cl)ccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KKHYJGGHOSRHCB-UHFFFAOYSA-N
-rxn:4:183274:228911,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)n1,MKBXCNGJNLXIQX-UHFFFAOYSA-N
-rxn:4:183482:222632,CCOC(=O)C(=O)Cc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1[N+](=O)[O-],UEHBQYKKHPWHKY-UHFFFAOYSA-N
-rxn:4:183482:224612,CCOC(=O)C(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1[N+](=O)[O-],FPGFDOFQTUWSSB-UHFFFAOYSA-N
-rxn:4:183644:222540,O=C(CS(=O)c1ccccc1[N+](=O)[O-])Oc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,VBDFUEKPDVZJIW-UHFFFAOYSA-N
-rxn:4:183665:224612,COC(=O)C(Oc1ccc([N+](=O)[O-])cc1-c1ccc(OCCN2CCOCC2)cc1)C(C)C,JZUVSHDFFWCCBL-UHFFFAOYSA-N
-rxn:4:183668:222540,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,WKTWQXWVAVJMOK-UHFFFAOYSA-N
-rxn:4:183668:222632,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,SOFRTINNWKJEHS-UHFFFAOYSA-N
-rxn:4:183695:226540,CCOC(=O)c1ccc(F)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,JMVNJGSLCKYVPZ-UHFFFAOYSA-N
-rxn:4:183729:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCOCC1,RCYSFJSFFITLTL-UHFFFAOYSA-N
-rxn:4:183730:225746,CC(C)(C)OC(=O)c1ncccc1-c1ccc(OC(F)(F)F)cc1OCC(=O)N1CCOCC1,HQXHUGVSJMWWLT-UHFFFAOYSA-N
-rxn:4:183772:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,MUAUINMXUMWPLH-UHFFFAOYSA-N
-rxn:4:183803:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)ccn1)C(F)(F)F,XGNLXQGGLAJFJM-UHFFFAOYSA-N
-rxn:4:183804:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)ccn1)C(F)(F)F,WFIPXRJHFRJJPI-UHFFFAOYSA-N
-rxn:4:183807:226844,CC(C)COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,VZZMPFPLKRNZEB-UHFFFAOYSA-N
-rxn:4:183809:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)ccn1)C(F)(F)F,INWDVCITGTUKER-UHFFFAOYSA-N
-rxn:4:183810:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N(C(C)=O)c4ccc(OC(C)=O)cc4)cc3)cc2)CC1,JYFFNUPSIULIOD-UHFFFAOYSA-N
-rxn:4:183836:226844,CCN(C(=O)COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,OMDGBTHOFOPJIU-UHFFFAOYSA-N
-rxn:4:183842:226844,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1,YFRLAVMRVABGFR-UHFFFAOYSA-N
-rxn:4:183885:226844,O=C(c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,BXYZHTKCXONYSM-UHFFFAOYSA-N
-rxn:4:183894:223902,CC1CCN(CCOc2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)cc2F)CC1,FMZWNCKGDUXHNI-UHFFFAOYSA-N
-rxn:4:183898:224321,COC1CCN(CCCOc2ccccc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)CC1,CTHFCBRATMIGMN-UHFFFAOYSA-N
-rxn:4:183901:222404,CCN(Cc1cc(-c2ccc(C3NC(=O)NC3=O)cc2)cc(C)c1F)C(=O)OC(C)(C)C,FBHRHBOVZVZKPS-UHFFFAOYSA-N
-rxn:4:183911:226844,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,AICXYTFHOZQRJL-UHFFFAOYSA-N
-rxn:4:183912:226844,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DCZOKVMSRSNIAJ-UHFFFAOYSA-N
-rxn:4:183913:226844,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,HRPYJZWYSFIYQB-UHFFFAOYSA-N
-rxn:4:183914:223279,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,CAGUHWGLGQTUOT-UHFFFAOYSA-N
-rxn:4:183914:226844,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,GNGQEDSMZXJEGU-UHFFFAOYSA-N
-rxn:4:183923:224198,CCN1CCN(Cc2ccc(-c3ccc(OCC(=O)N(c4ccccc4)C4C=CS(=O)(=O)C4)cc3)c(F)c2)CC1,GBSKAWBMNXKSFA-UHFFFAOYSA-N
-rxn:4:183928:224842,CC(c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,FQUMKRLPKPRTRR-UHFFFAOYSA-N
-rxn:4:183966:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,AAKJOPWEOBDABB-UHFFFAOYSA-N
-rxn:4:184064:226844,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,XFTGAZDKJGSBMM-UHFFFAOYSA-N
-rxn:4:184090:226076,COC(=O)c1cc(-c2cc(OC)cc3ccccc23)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,PUQVZEFRCAZQQC-UHFFFAOYSA-N
-rxn:4:184098:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)C2CCS(=O)(=O)C2)c1,XOFHSRHVDGIOFO-UHFFFAOYSA-N
-rxn:4:184189:223279,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4cnc(C5CCCN5)nc4)ccc23)CC1,DQZFZFYTXBUZCQ-UHFFFAOYSA-N
-rxn:4:184189:224612,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc23)CC1,MXYBLHADPBRAQU-UHFFFAOYSA-N
-rxn:4:184287:223694,CCOC(=O)COc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)cn1,FHHFCXICKHTAEF-UHFFFAOYSA-N
-rxn:4:184894:223694,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)c2)SC1=S,UZTGIIPDIJOVGU-UHFFFAOYSA-N
-rxn:4:184921:222827,O=S(=O)(NC1CC1)c1cc(F)c(-c2cccc(F)c2OCCCN2CCC(F)(F)C2)cc1F,OCEXJMOWUMIYIS-UHFFFAOYSA-N
-rxn:4:184921:225264,COC(=O)c1ccc(-c2cccc(F)c2OCCCN2CCC(F)(F)C2)cc1C(=O)OC,HBYHUSLROONBRM-UHFFFAOYSA-N
-rxn:4:185041:224704,CC1CCN(c2cc(-c3ccccc3OCCCN3CCCC(F)(F)C3)cc(F)c2F)CC1,CYXCGWKWNINNRS-UHFFFAOYSA-N
-rxn:4:185135:223753,COC(=O)C1CCN(CCc2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)ccc2Cl)CC1,XJCYERWMJBIRBV-UHFFFAOYSA-N
-rxn:4:185135:224254,COC(=O)C1CCN(CCc2cc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)ccc2Cl)CC1,KDIKFXHGXBFMOT-UHFFFAOYSA-N
-rxn:4:185156:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCC(C(F)(F)F)CC1,YPPOAFSVZUHXOR-UHFFFAOYSA-N
-rxn:4:185158:226844,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,HZHBCARLAQYVNU-UHFFFAOYSA-N
-rxn:4:185159:226844,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RUQDGXVYMJAHKY-UHFFFAOYSA-N
-rxn:4:185198:223815,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)ccc1CN1CCC(OC)CC1,COEXLDCVBJTQLF-UHFFFAOYSA-N
-rxn:4:185248:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,SNPUYZQHAVXAES-UHFFFAOYSA-N
-rxn:4:185250:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3OCc3ccccc3)cc2)CC1,SLPIGKMLRDXDOV-UHFFFAOYSA-N
-rxn:4:185260:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,WBRGUKKTHUOJAL-UHFFFAOYSA-N
-rxn:4:185267:223753,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)CC1,RFVYRPFMLDCAAJ-UHFFFAOYSA-N
-rxn:4:185268:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,IEDAQTWEGGJJES-UHFFFAOYSA-N
-rxn:4:185307:226844,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FVAHYUAKUYSKLI-UHFFFAOYSA-N
-rxn:4:185313:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,UDTQPDPCTDFOLA-UHFFFAOYSA-N
-rxn:4:185332:224198,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(CN3CCN(CC)CC3)cc2F)cc1)C1C=CS(=O)(=O)C1,BFJCNZKURQFACZ-UHFFFAOYSA-N
-rxn:4:185356:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CC1,ACXNPRGOFJLGEV-UHFFFAOYSA-N
-rxn:4:185374:223753,Cc1ccc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)cc1OCCCN1CCN(C)CC1,RXPDTRWKIDHEMJ-UHFFFAOYSA-N
-rxn:4:185378:223895,CCN1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,VXJCIBUISGPJPW-UHFFFAOYSA-N
-rxn:4:185384:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,HVMHFTIYZYJQPO-UHFFFAOYSA-N
-rxn:4:185434:226059,COc1cc(-c2ccc(C(C)C)cc2C(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,OXQAESSVCOEIJU-UHFFFAOYSA-N
-rxn:4:185522:226844,CC(=O)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1N(C(=O)OC(C)(C)C)CCO2,ASTFLPFCMNZTNT-UHFFFAOYSA-N
-rxn:4:185543:226844,CN(CC1OCCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)C(=O)OC(C)(C)C,RZZLSDZJMNXTJE-UHFFFAOYSA-N
-rxn:4:185587:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc(=O)sc5c4)cc3)cc2F)CC1,JYNNJCGZDISUQW-UHFFFAOYSA-N
-rxn:4:185610:224612,COc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)cc1OC,AXYOBJGVOBVREI-UHFFFAOYSA-N
-rxn:4:185647:223279,CC(C)(C)OC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(-c4cnc(C5CCCN5)nc4)cc3CC[C@@H]12,HTPLYRVQCLEWSA-ZCYIESAJSA-N
-rxn:4:186244:223712,CCOC(=O)c1sc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)nc1C(C)C,QBPXHUIODKEMDP-UHFFFAOYSA-N
-rxn:4:186368:222614,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc1OC,YDDYFJSFKYWBOR-UHFFFAOYSA-N
-rxn:4:186368:222708,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)cc1OC,DTOYNMUYPJNKRA-UHFFFAOYSA-N
-rxn:4:186368:222709,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c2)cc1OC,PJCGTLLQPCTKRK-UHFFFAOYSA-N
-rxn:4:186368:222715,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)cc1OC,LVYOZYZHLFIKEG-UHFFFAOYSA-N
-rxn:4:186368:223542,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC,SQHBHPVFBGAMJW-UHFFFAOYSA-N
-rxn:4:186368:223575,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,UDUPDVCRDBAZPN-UHFFFAOYSA-N
-rxn:4:186368:223582,COC(=O)c1ccc2cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)n(C(=O)OC(C)(C)C)c2c1,DJTHOZMTJNLBCE-UHFFFAOYSA-N
-rxn:4:186368:223583,COC(=O)c1ccc2c(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)cn(C(=O)OC(C)(C)C)c2c1,VROUNGUIFHMTIG-UHFFFAOYSA-N
-rxn:4:186368:223596,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,SCHKPJBIGPKNIF-UHFFFAOYSA-N
-rxn:4:186368:223637,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1OC,JTKANMHEAHBJGJ-UHFFFAOYSA-N
-rxn:4:186368:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)ccc2OC)CC1,XUKXXBOAKOEXKU-UHFFFAOYSA-N
-rxn:4:186368:223699,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1OC,XQQHDXRCMSFOOP-UHFFFAOYSA-N
-rxn:4:186368:223712,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1OC,QWQZCBKRWZXSIP-UHFFFAOYSA-N
-rxn:4:186368:223787,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1OC,LCRRUBWASPEQHQ-UHFFFAOYSA-N
-rxn:4:186368:223867,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(OCCCN3CCC(C)CC3)c2)cc1OC,SZNXDXLIOFFNDF-UHFFFAOYSA-N
-rxn:4:186368:223959,CCN1CCN(C(=O)c2cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)ccc2Cl)CC1,VFCQAOZCDWPYQX-UHFFFAOYSA-N
-rxn:4:186368:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(OC)c(C(=O)OC)cc2S(N)(=O)=O)CC1,BAAXLHWNVDPERV-UHFFFAOYSA-N
-rxn:4:186368:224065,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc1OC,UXNYYTXGVBDQIU-UHFFFAOYSA-N
-rxn:4:186368:224120,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(C)c2)cc1OC,KVHYMSBWNYSGRN-UHFFFAOYSA-N
-rxn:4:186368:224176,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCSC3CCOCC3)cc2)cc1OC,HEZXHQWXXJBKTH-UHFFFAOYSA-N
-rxn:4:186368:224190,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc1OC,YSRROTIYBNYKPD-UHFFFAOYSA-N
-rxn:4:186368:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c2)CC1,ZYPFVUSCXLHREZ-UHFFFAOYSA-N
-rxn:4:186368:224265,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)cc1OC,ICXVTMKAPZWDEW-UHFFFAOYSA-N
-rxn:4:186368:224309,COC(=O)c1cc(S(N)(=O)=O)c(-c2c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c2F)cc1OC,GUJBYNDOIXXICE-UHFFFAOYSA-N
-rxn:4:186368:224320,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC,OMFRDVHGCOHIJV-UHFFFAOYSA-N
-rxn:4:186368:224330,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)cc1OC,DUKJYIARSBZRNW-UHFFFAOYSA-N
-rxn:4:186368:224394,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC,WHOLHOMUFPQMOU-UHFFFAOYSA-N
-rxn:4:186368:224410,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1OC,WCLUKABHYPVTCI-UHFFFAOYSA-N
-rxn:4:186368:224412,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1OC,FDPUXMGHLLNZIP-UHFFFAOYSA-N
-rxn:4:186593:223490,Cc1ccc(OCC(=O)N(C)C)c(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,XBXZFMQCPIISDO-UHFFFAOYSA-N
-rxn:4:186629:222584,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,SJXYBWDHRUGUHZ-UHFFFAOYSA-N
-rxn:4:186629:222714,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(NC(=O)OC(C)(C)C)cc(F)c1F,QVPDPXJKMRTYJX-UHFFFAOYSA-N
-rxn:4:186629:223506,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,AZGMRCCMIMOZFY-UHFFFAOYSA-N
-rxn:4:186629:223683,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,IMGCOSDRZNTVFV-UHFFFAOYSA-N
-rxn:4:186629:223687,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,IDOATCCOZBONNA-UHFFFAOYSA-N
-rxn:4:186629:223809,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,NHRQVUHJGZGSQA-UHFFFAOYSA-N
-rxn:4:186629:223813,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,UOOKEQAEEFMCHK-UHFFFAOYSA-N
-rxn:4:186629:223911,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C2(C(=O)OCC)CCOCC2)cc1,JAMCZVCJVIEBDI-UHFFFAOYSA-N
-rxn:4:186629:223946,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N(CC)C(=O)OC(C)(C)C)cc1Cl,KVZJMTJAUUFUJP-UHFFFAOYSA-N
-rxn:4:186629:224010,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,BZDMSCZFKIRDAF-UHFFFAOYSA-N
-rxn:4:186629:224172,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(CN(C)C(=O)OC(C)(C)C)c1,DVUAXFRSHHOZGJ-UHFFFAOYSA-N
-rxn:4:186629:224187,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCCCC2)cc1F,LEZDHUWSPPEVNI-UHFFFAOYSA-N
-rxn:4:186629:224191,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC,OUUATAUEFKPWDD-UHFFFAOYSA-N
-rxn:4:186629:224258,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCCCC2C)cc1Cl,BWYWBKWZNIZBMY-UHFFFAOYSA-N
-rxn:4:186629:224289,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N(C)C(=O)OC(C)(C)C)cc1F,HJQWAFUUKFXLAR-UHFFFAOYSA-N
-rxn:4:186629:224361,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1,NRUYYCLUDAUVNR-UHFFFAOYSA-N
-rxn:4:186862:223568,CC(C)CN(C)S(=O)(=O)c1cccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1,FTVGKTYPVJDQCC-UHFFFAOYSA-N
-rxn:4:187117:222468,C#Cc1ccc(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)cc1N1CCC(C(=O)OC)CC1,GWUIJINGIZXJOI-UHFFFAOYSA-N
-rxn:4:187128:224198,CCN1CCN(Cc2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCCCC4)c3)c(F)c2)CC1,HWQWXBSKZMBVHN-UHFFFAOYSA-N
-rxn:4:187154:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,KTRMKVCTXIMLNF-UHFFFAOYSA-N
-rxn:4:187192:223712,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,XBIOEMULUIUKAO-QTMRLJDQSA-N
-rxn:4:187234:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCC5)cc4)cc3)c(F)cc2C)CC1,LDPYSLBPDYIWLL-UHFFFAOYSA-N
-rxn:4:187253:223753,Cc1ccc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)cc1OCCCN1CCN(C)CC1,UIFDRVOFMVSUNU-UHFFFAOYSA-N
-rxn:4:187270:223279,FC(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCCC(C(F)(F)F)C2)c1,UOUIEPCCUCNGAW-UHFFFAOYSA-N
-rxn:4:187309:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=N)(=O)CC4CCOCC4)c3)cc2)CC1,RTBZUBXWJGHLDL-UHFFFAOYSA-N
-rxn:4:187310:224704,CC1CCN(c2cc(-c3cc(Cl)cc(F)c3OCCN3CCCCC3C)cc(F)c2F)CC1,NFKWHSZMTMSKLC-UHFFFAOYSA-N
-rxn:4:187328:224842,CC(C)(C)OC(=O)N1C(c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)COS1(=O)=O,HZMSZJNFQNFNTF-UHFFFAOYSA-N
-rxn:4:187350:223895,CCN1CCN(CCOc2ccc(-c3cccc(C=C4SC(=S)N(c5ccc(C(=O)OC)cc5)C4=O)c3)cc2)CC1,SNTZEUDLQHKMTK-UHFFFAOYSA-N
-rxn:4:187352:223649,CC(C)[Si](c1ncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)s1)(C(C)C)C(C)C,OABXERFINDGKNR-UHFFFAOYSA-N
-rxn:4:187383:225723,CN(C)CCOc1ccc(-c2ccc(C3CC(=O)CN3C(=O)OC(C)(C)C)cc2)cc1Cl,SNNYIBQMUVFTEA-UHFFFAOYSA-N
-rxn:4:187427:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1CN1CCCC(C)C1,IOBOQKLCRRXUID-UHFFFAOYSA-N
-rxn:4:187446:223753,Cc1ccc(-c2ccc(C(=O)N=C(c3ccccc3)C(C)(C)C)cc2)cc1OCCCN1CCN(C)CC1,FGCYKHHPMBQBDO-UHFFFAOYSA-N
-rxn:4:187488:223901,CCOc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,RBCNPFLEWWATHC-UHFFFAOYSA-N
-rxn:4:187495:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,CVVAJDUJQPWWGA-UHFFFAOYSA-N
-rxn:4:187506:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,CLWXGLCAMUDMRR-UHFFFAOYSA-N
-rxn:4:187514:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCOCC5)c4)cc3)cc2)CC1,OKSATJRTZWLQOJ-UHFFFAOYSA-N
-rxn:4:187518:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCOCC4)cc3)cc2)CC1,KEAIFLBXDUULBQ-UHFFFAOYSA-N
-rxn:4:187542:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCC(C)CC4)c(OC)c3)cc2)CC1,AMQHKCQGLGHHPX-RQNOJGIXSA-N
-rxn:4:187543:224885,COc1cc(-c2ccccc2CN2CCC(C)CC2)cc(OC)c1CN1CCCC(C)C1,OZIDAEVEZZKZBG-UHFFFAOYSA-N
-rxn:4:187560:225723,CN(C)CCOc1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1Cl,RMPYDMSNZFENGR-UHFFFAOYSA-N
-rxn:4:187580:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)cc1,ZUGPYERLJSWHRT-UHFFFAOYSA-N
-rxn:4:187584:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FYLOCNHNHWDXBB-UHFFFAOYSA-N
-rxn:4:187589:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,AYHSCHWZAUFJSB-UHFFFAOYSA-N
-rxn:4:187599:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)c4ccc(CN5CCCCC5)cc4)c3)cc2F)CC1,RVOLUWIHBYOLCN-UHFFFAOYSA-N
-rxn:4:187600:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4ccc(CN5CCCCC5)cc4)cc3)cc2)CC1,IXSKBQWVEMCXCI-UHFFFAOYSA-N
-rxn:4:187608:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCCCC5)c4)c(F)c3)cc2)CC1,ULVDROBVMLLLQK-UHFFFAOYSA-N
-rxn:4:187632:226062,CC(C)c1cc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)cc(C(C)C)c1,NJBHLFVRMGPHJC-UHFFFAOYSA-N
-rxn:4:187633:223182,CCNS(=O)(=O)c1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,JQXQVUDJZTXOCC-UHFFFAOYSA-N
-rxn:4:187648:223279,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1=O,BAQWVMGQSDRUNF-UHFFFAOYSA-N
-rxn:4:187659:225755,COC(=O)c1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CC2)n1,VPVGAQCKQSLPPG-UHFFFAOYSA-N
-rxn:4:187661:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C1CCN(C(=O)OC(C)(C)C)CC1,XVQALXGJWWCJKT-UHFFFAOYSA-N
-rxn:4:187668:227103,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2sccc2C2CCCCC2)cc1,ZWOVFBUYSHMCHQ-UHFFFAOYSA-N
-rxn:4:187670:226715,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnn(C(=O)OC(C)(C)C)c2)c1,ZHXQUXZFWYXDRE-UHFFFAOYSA-N
-rxn:4:187689:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)cc1Cl,DBLYDLROKJLXDA-UHFFFAOYSA-N
-rxn:4:187849:226844,CC(C)(C)OC(=O)N1CCc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)cc21,QWGZCMCBZCJBBC-UHFFFAOYSA-N
-rxn:4:187852:223753,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc32)cc1,XSBLLIOEJYTFSJ-UHFFFAOYSA-N
-rxn:4:187852:223755,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)ccc32)cc1,CTYZHUYIPJCKMR-UHFFFAOYSA-N
-rxn:4:187857:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CCOc3ccccc3C)cc2)CC1,PTILRSPQRRHQRI-UHFFFAOYSA-N
-rxn:4:187879:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)c(C)c1,HNFQIDBDDLIRRC-UHFFFAOYSA-N
-rxn:4:187916:225619,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(Cl)cc1OC1CCCC1,WLQLMKGCETXUOZ-UHFFFAOYSA-N
-rxn:4:187943:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,KWBIHJRTRRVHMV-UHFFFAOYSA-N
-rxn:4:187945:223772,COC(=O)C1=Cc2cc(-c3cc4ccc(OC)cc4n3C(=O)OC(C)(C)C)ccc2N(CC(C)C)CCC1,XFDDAHSYLKYXQE-UHFFFAOYSA-N
-rxn:4:187946:224853,COc1ccc2c(c1-c1ccc(C3CCC(C)(C)CC3)cc1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,OUWMXPSNICDLMX-HXUWFJFHSA-N
-rxn:4:187955:224612,O=C1C(=Cc2ccccc2-c2ccc(OCCN3CCOCC3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21,YFQFRDMWUDQQKY-UHFFFAOYSA-N
-rxn:4:187961:222679,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3OC)cc1)CC(C)(C)CC2=O,SUEVHIOMAWYDQW-UHFFFAOYSA-N
-rxn:4:187961:224494,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(CCOC4CCCCO4)cc3)cc1)CC(C)(C)CC2=O,VOUPHKPUVOSZNQ-UHFFFAOYSA-N
-rxn:4:187961:224847,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc1)CC(C)(C)CC2=O,OAKONJMNKAWXKD-UHFFFAOYSA-N
-rxn:4:187961:225271,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(OC)c(OC)cc3C(=O)OC)cc1)CC(C)(C)CC2=O,WCPBGSSUJOFHFV-UHFFFAOYSA-N
-rxn:4:187969:223636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cccc21,AHIVOZZKVAUQLQ-UHFFFAOYSA-N
-rxn:4:187971:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4ccn([Si](C(C)C)(C(C)C)C(C)C)c4c3)c2)CC1,DFOCTWVZQZEJFA-UHFFFAOYSA-N
-rxn:4:187990:225431,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cc(C(C)(C)C)ccc2OCC)cc1,PUTCQVNTGCZTJX-UHFFFAOYSA-N
-rxn:4:187990:225723,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,UANOLHXNLYGZCP-UHFFFAOYSA-N
-rxn:4:188922:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(N)(=O)=O,MJVWIUISRLCOHS-UHFFFAOYSA-N
-rxn:4:188934:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC)c(F)c(S(N)(=O)=O)c3)cc2)CC1,MNKAEQPXUFMUFQ-UHFFFAOYSA-N
-rxn:4:189209:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)cc(C(=O)ON3C(=O)CCC3=O)c2)cc1,DITTUYJAOJPRBJ-UHFFFAOYSA-N
-rxn:4:189288:223559,CON(C)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,WQDWDUSXXCRWJC-UHFFFAOYSA-N
-rxn:4:189351:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3S(=O)(=O)C(C)C)cc2)CC1,PKRHCAOBQCOJTK-UHFFFAOYSA-N
-rxn:4:189356:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(N)(=O)=O)cc3S(=O)(=O)CC)c(F)cc2C)CC1,OPRSMTVSYKXJAZ-UHFFFAOYSA-N
-rxn:4:189382:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(C(F)(F)F)ccc3C3(C#N)CCC3)c2)CC1,LTQMVZNCGNYOAI-UHFFFAOYSA-N
-rxn:4:189389:222647,Cc1cc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)c(C)cc1NC(=O)OC(C)(C)C,TXNATZVIELFMBZ-UHFFFAOYSA-N
-rxn:4:189521:223712,COc1ccc(-c2ccc(CN3CCC(OC)C3)o2)cc1C12CC3CC(CC(C3)C1)C2,JZSMUKBJZMHLNJ-UHFFFAOYSA-N
-rxn:4:189605:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1C=C1N=C(SC)SC1=O,JVOLNLQZASZEKI-UHFFFAOYSA-N
-rxn:4:189705:224198,CCN1CCN(Cc2ccc(-c3cccc(C(=O)C4(C#N)CCOCC4)c3)c(F)c2)CC1,SFCCBZCHLWXNSC-UHFFFAOYSA-N
-rxn:4:190020:224420,Cc1cc2c(cc1-c1ccc(C(=O)N(C)C3CCS(=O)(=O)C3)cc1)C(C)(C)CCC2(C)C,JJYOFVKIRYRESS-UHFFFAOYSA-N
-rxn:4:190087:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)c1,NPBVITQTZXAJCV-UHFFFAOYSA-N
-rxn:4:190087:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C(=O)C(=CC=Cc5ccco5)SC4=S)cc3)c2)CC1,VGLXLUZDPVMGLP-UHFFFAOYSA-N
-rxn:4:190088:223474,COc1c(C(C)C)cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)nc1C(C)C,JDSZAZZYJGIEDL-UHFFFAOYSA-N
-rxn:4:190096:223712,COc1ccc(-c2cc(CN(C)C3CCC3)ccc2C)cc1C12CC3CC(CC(C3)C1)C2,BGFIMWOPVYJZGI-UHFFFAOYSA-N
-rxn:4:190249:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1,NSIOFQMAZKGYLJ-UHFFFAOYSA-N
-rxn:4:190296:222632,COc1ccccc1C=C1SC(=S)N(c2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C1=O,VQWSBLLHDOBFJE-UHFFFAOYSA-N
-rxn:4:190297:222632,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)C1=O,XWHLCZHWGMGVBB-UHFFFAOYSA-N
-rxn:4:190298:222540,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)SC1=S,VOYPBMSRBIERCO-UHFFFAOYSA-N
-rxn:4:190404:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCSC(c5ccccc5Cl)CC4)o3)cc2)CC1,ATXOHMHGZJRZEZ-UHFFFAOYSA-N
-rxn:4:190416:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4SCCN4S(=O)(=O)c4cccc(C)c4)cc3)cc2)CC1,LSAKLUUTBQHNKF-UHFFFAOYSA-N
-rxn:4:190446:222468,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,XMAHLAHACMJUKX-UHFFFAOYSA-N
-rxn:4:190446:224612,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc(OCCN2CCOCC2)cc1,PINLYNHTTJCRHL-UHFFFAOYSA-N
-rxn:4:190599:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)OC)cc2)CC1,RLGSKDQLBJPSPX-UHFFFAOYSA-N
-rxn:4:190772:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,UYMBIGPBCZIJSZ-UHFFFAOYSA-N
-rxn:4:190823:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)CC1,QKBTVLYXKKCIAZ-UHFFFAOYSA-N
-rxn:4:190828:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)cnc1Cl,HHFZCEWECDGHMA-UHFFFAOYSA-N
-rxn:4:190833:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(Cl)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,AZCTXRIMZQFYJD-UHFFFAOYSA-N
-rxn:4:190851:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2,ZLQIXOLKYHVNSP-UHFFFAOYSA-N
-rxn:4:190903:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCO3)cc1,BDDIDLFCMVKILR-UHFFFAOYSA-N
-rxn:4:190905:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)c1,FEZAKFVTYZYCTD-UHFFFAOYSA-N
-rxn:4:190931:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)CCN2C(=O)OC(C)(C)C,SQVMKZFARHLKDY-UHFFFAOYSA-N
-rxn:4:190942:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C=C(C(=O)OC)S(=O)(=O)c5ccccc54)c3)cc2)CC1,RDBBUUWILBJLNR-UHFFFAOYSA-N
-rxn:4:190943:222540,COC(=O)C1=CN(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)c2ccccc2S1(=O)=O,PFSMTHHAVRLQKQ-UHFFFAOYSA-N
-rxn:4:190945:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5ccc(F)cc54)cc3)cc2)CC1,UIAHAMAFNXWCBM-UHFFFAOYSA-N
-rxn:4:190978:224612,CC(C)(C)OC(=O)N1CCS(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc21,NSTLGHHYJDXILM-UHFFFAOYSA-N
-rxn:4:190984:222540,CSC1CC2CCC(C1)N2C(=O)c1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,ZRRZGANGOLWMHJ-UHFFFAOYSA-N
-rxn:4:191013:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4c5ccccc5CC4C)cc3OC)cc2)CC1,QRAKYNZDXVGZPC-UHFFFAOYSA-N
-rxn:4:191014:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3OC)cc2)CC1,UAPVCKOHPYCWKY-UHFFFAOYSA-N
-rxn:4:191026:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)N(c3ccc(C)c(Cl)c3)C=C(C(=O)OC)S4(=O)=O)cc2)CC1,SFVLLIPLZAEYKA-UHFFFAOYSA-N
-rxn:4:191031:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2,SBUSMRUAXFSVHV-UHFFFAOYSA-N
-rxn:4:191055:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C1(CC1)CN(C(=O)OC(C)(C)C)C2,XFEFWCXNFODMSY-UHFFFAOYSA-N
-rxn:4:191070:224061,CCCC1CCC(c2ccc(-c3c(C4CCCCC4)c4ccc(C(=O)OC)cc4n3C)c(F)c2)CC1,RVJPVDPSZCLEQS-UHFFFAOYSA-N
-rxn:4:191070:224485,COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)n(C)c2c1,UCZNDDRSCCANCQ-UHFFFAOYSA-N
-rxn:4:191071:226844,O=C1COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2CN1CCC1=CCCCC1,GYBOCKMZJLTCCV-UHFFFAOYSA-N
-rxn:4:191080:222540,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2S1(=O)=O,AMJITEAGCSXJFE-UHFFFAOYSA-N
-rxn:4:191085:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)c4ccccc4)S(=O)(=O)c4ccccc43)cc2)cc1OCCCN1CCN(C)CC1,CHCODSWNCXGRIO-UHFFFAOYSA-N
-rxn:4:191089:222751,Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1NC(=O)OC(C)(C)C,RIAIZYGZBIMRKJ-UHFFFAOYSA-N
-rxn:4:191092:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,GDTOQMRTXCZMPP-UHFFFAOYSA-N
-rxn:4:191097:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2c1,RLUDOGYTMQDOBO-UHFFFAOYSA-N
-rxn:4:191099:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1,CVMGTTPLNBXELN-UHFFFAOYSA-N
-rxn:4:191103:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,MOPQJYHXXMAHOW-UHFFFAOYSA-N
-rxn:4:191105:223187,CONS(=O)(=O)c1cccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,LYEQYFXPUJBGMR-UHFFFAOYSA-N
-rxn:4:191112:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccccc54)c3)cc2)CC1,CLEVTQSTRMOBGK-UHFFFAOYSA-N
-rxn:4:191112:223960,CCN1CCN(C(=O)c2cc(-c3cccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccccc54)c3)ccc2F)CC1,CAPHNJJGMKLXNL-UHFFFAOYSA-N
-rxn:4:191113:223960,CCN1CCN(C(=O)c2cc(-c3ccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccc(F)cc54)cc3)ccc2F)CC1,MUJSQLCFTFWVPQ-UHFFFAOYSA-N
-rxn:4:191115:226844,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc1O2,BSQXFBPRXPYXPA-UHFFFAOYSA-N
-rxn:4:191122:222632,COc1ccc(S(=O)(=O)N2c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3C(C)=CC2(C)C)cc1,YXIWLFFJGAMUFQ-UHFFFAOYSA-N
-rxn:4:191122:223583,COC(=O)c1ccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4S(=O)(=O)c3ccc(OC)cc3)cn(C(=O)OC(C)(C)C)c2c1,KCLGFWKWMKWUCS-UHFFFAOYSA-N
-rxn:4:191123:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,BULBDVLHVYRZTJ-UHFFFAOYSA-N
-rxn:4:191125:227050,Cc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(C)C,CNJKJFVOERPDKG-UHFFFAOYSA-N
-rxn:4:191126:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c(Cl)c1,VOGXPQVXTKJUCY-UHFFFAOYSA-N
-rxn:4:191129:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3O2)CC1,RFKIOJWUIHCIGW-UHFFFAOYSA-N
-rxn:4:191129:227587,COc1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(F)c1OC,XLPYQURASVWFGN-UHFFFAOYSA-N
-rxn:4:191131:222540,Cc1ccc(C(=O)C2=CN(c3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)c3ccccc3S2(=O)=O)c(C)c1,DLYADWZDQZDAEC-UHFFFAOYSA-N
-rxn:4:191132:222632,Cc1ccc(C(=O)C2=CN(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)c3ccccc3S2(=O)=O)c(C)c1,IDGFEPGSRIFTDC-UHFFFAOYSA-N
-rxn:4:191171:224421,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc1c32,CIRWNHYPNMHLBZ-UHFFFAOYSA-N
-rxn:4:191195:224899,COc1ccccc1-c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,DEWUOCXTXUQNNF-UHFFFAOYSA-N
-rxn:4:191195:224989,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cccc(-c3cnn(C(C)C)c3)c1)c1c2CCC1,FWRNZKWJTMKTHU-UHFFFAOYSA-N
-rxn:4:191195:228988,Cc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1C,FGRGINNAYNEKGQ-UHFFFAOYSA-N
-rxn:4:191197:223093,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1)N(CC1CCCO1)C3=O,HSWYFUVVCZITSF-UHFFFAOYSA-N
-rxn:4:191203:222602,CC(C)Cc1cc(-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c(S(=O)(=O)NC(C)(C)C)s1,YVHCXRXDOONTNR-UHFFFAOYSA-N
-rxn:4:191205:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C3c5sc(=O)n(Cc6ccccc6)c5SC(c5ccccc5)C3C(=O)O4)cc2F)CC1,QMQSGXLIQVJEQR-UHFFFAOYSA-N
-rxn:4:192772:222540,CSC1=NC(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)C(=O)S1,BAFNPMZNIBOKOW-UHFFFAOYSA-N
-rxn:4:192775:222540,CCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)o2)SC1=S,ASPJDWRTBFYDHN-UHFFFAOYSA-N
-rxn:4:192775:223753,CCN1C(=O)C(=Cc2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)o2)SC1=S,UQIGHLKQQLMCER-UHFFFAOYSA-N
-rxn:4:193104:222540,CCc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1N1C(=O)C=CC1=O,MJMAXFWPQALNER-UHFFFAOYSA-N
-rxn:4:193352:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(CN3C(=O)CCCC3=O)c2)CC1,WPIFAMFYRXSZLU-UHFFFAOYSA-N
-rxn:4:193462:223712,COc1ccc(-c2ccc(Cl)c(CN3CCC(=O)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,OYHZOOKZNXCRGZ-UHFFFAOYSA-N
-rxn:4:193484:222540,Cc1cc(F)c(C(=O)N2CCCC2)cc1-c1cccc(C(=O)NCCN2CCCCC2)c1,MUONVUUHLMHASH-UHFFFAOYSA-N
-rxn:4:193723:223753,Cc1ccc(-c2ccc(C(=O)N3CCCCC3C)cc2)cc1OCCCN1CCN(C)CC1,OHLYUYUYPXGMOH-UHFFFAOYSA-N
-rxn:4:193749:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)cc2)CC1,UGERNGZPOQAECN-UHFFFAOYSA-N
-rxn:4:193867:222810,CC(C)(C)OC(=O)Nc1cc(-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)c(Cl)cn1,PAIWQHFJLMHKMT-UHFFFAOYSA-N
-rxn:4:193888:224323,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,YZUPFJQPTDRQPT-UHFFFAOYSA-N
-rxn:4:193909:223753,Cc1ccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)cc1OCCCN1CCN(C)CC1,KNACYBUTFZXLQS-UHFFFAOYSA-N
-rxn:4:193909:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C=C4SC(=S)N(C5CCCCC5)C4=O)o3)c2)CC1,JOUKRIKHLLLUFN-UHFFFAOYSA-N
-rxn:4:193909:224198,CCN1CCN(Cc2ccc(-c3ccc(C=C4SC(=S)N(C5CCCCC5)C4=O)o3)c(F)c2)CC1,QLUYMYKZBFFEAS-UHFFFAOYSA-N
-rxn:4:193910:223753,Cc1ccc(-c2ccc(C=C3SC(=S)N(C4CCS(=O)(=O)C4)C3=O)cc2)cc1OCCCN1CCN(C)CC1,QHUUZVGHNZDRAJ-UHFFFAOYSA-N
-rxn:4:193994:222466,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,OZIJCNOVSXYBGR-UHFFFAOYSA-N
-rxn:4:194416:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(C)C)cc2)CC1,ZLTCNPNJLBVDAM-UHFFFAOYSA-N
-rxn:4:194461:224101,COC(=O)C1(C)CCc2c(cncc2-c2cccc(OCCN3CCC(C)CC3)c2)C1=O,KCNMTQWPDRFBAF-UHFFFAOYSA-N
-rxn:4:194716:223753,Cc1ccc(-c2ccc3oc(=O)c(C(=O)N4CCCCCC4)cc3c2)cc1OCCCN1CCN(C)CC1,GHZSKRGTTIHTOM-UHFFFAOYSA-N
-rxn:4:194747:223497,CC(c1ccc(-c2cccc3c2CCN(C(=O)C2CCCCC2)C3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,QCRYUQJLOROESJ-UHFFFAOYSA-N
-rxn:4:194758:226844,O=C(c1cc(-c2ccc3c(c2)CCCC3N2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,ZCOCHWYEZHBWNM-UHFFFAOYSA-N
-rxn:4:194759:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4c5ccccc5CC4C)cc3C)cc2)CC1,ZUPMUXXTXCPPMW-UHFFFAOYSA-N
-rxn:4:197961:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(OCCCO2)C(=O)N3C(C)C)cc1,ZIBBHTYNTZYKIH-UHFFFAOYSA-N
-rxn:4:198071:226844,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,KTDZHWPLGRVGOK-UHFFFAOYSA-N
-rxn:4:199500:224199,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(CN3CCN(C(C)=O)CC3)cc2)cn1,NJQHPXLYMDYHLY-UHFFFAOYSA-N
-rxn:4:199575:226764,COC(=O)c1c(F)ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)c1F,GVHGTDMPRYSJNF-UHFFFAOYSA-N
-rxn:4:199589:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)cn2)cc1,HBCBQMQWRIHQJJ-UHFFFAOYSA-N
-rxn:4:199620:226844,CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,ITRWIKBFJWIZGR-UHFFFAOYSA-N
-rxn:4:199648:226844,CC(C)(C)OC(=O)N1CCCC1COc1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,XOBUECKDOJSCDX-UHFFFAOYSA-N
-rxn:4:199655:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(CN2C(=O)CCC2=O)C1,VBEGDZKJYOXGJD-UHFFFAOYSA-N
-rxn:4:199661:223743,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)cn2)C1,JCHSQTTVJCFHMQ-UHFFFAOYSA-N
-rxn:4:199693:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VTYXANAMYPCPEC-UHFFFAOYSA-N
-rxn:4:199707:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)c(Cl)c1,WOOHPGHQDOAILV-UHFFFAOYSA-N
-rxn:4:199713:226844,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,LSZCECQTVJMDIF-UHFFFAOYSA-N
-rxn:4:199728:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)c(F)c2)CC1,DHYKTBXDYHXNMQ-UHFFFAOYSA-N
-rxn:4:199757:226085,CN(Cc1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1N1CCCC1)C(=O)OC(C)(C)C,ZELINUVKHFQCNQ-UHFFFAOYSA-N
-rxn:4:199758:223279,C[Si](C)(C)CCOC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,DJTXBLGWQMYSSM-UHFFFAOYSA-N
-rxn:4:199761:224612,CC(C)(C)OC(=O)N1CCN(CCc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,LJCLBEZEVMXYKY-UHFFFAOYSA-N
-rxn:4:199761:226844,CC(C)(C)OC(=O)N1CCN(CCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,GMVOVFNCJWULGF-UHFFFAOYSA-N
-rxn:4:199764:225947,COC(=O)c1cc(-c2cnc(N3CCN(C)CC3)nc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XGCAZFMMCDXIAP-UHFFFAOYSA-N
-rxn:4:199764:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QTEHDMNXBCVYDD-UHFFFAOYSA-N
-rxn:4:199773:225901,CCC(=O)N1N=C(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C)cc2)CC1c1ccc(OC)cc1OC,UAXYGCBRAULEBP-UHFFFAOYSA-N
-rxn:4:199786:223279,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,QLGXEWDYCBUXOV-UHFFFAOYSA-N
-rxn:4:199812:224152,CC1CN(C(=O)Cc2ccc(F)cc2-c2cc(-c3cncnc3)cc(C(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,XXVHPJVJIFHTSJ-UHFFFAOYSA-N
-rxn:4:199830:223279,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl,AFTZCYMQWOECQV-UHFFFAOYSA-N
-rxn:4:199840:226844,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,CHZCNVDHIFXLCW-UHFFFAOYSA-N
-rxn:4:199843:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc1Cl,YYLGNVNCPLVWPK-UHFFFAOYSA-N
-rxn:4:199847:224683,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c(OC)c2)CC1,GOKBQXCDKNJHCQ-UHFFFAOYSA-N
-rxn:4:199850:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC2(C)C)cc(OC)c1OC,CMMIFROCFSLAOA-UHFFFAOYSA-N
-rxn:4:199857:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)Oc4c(Sc5ccc(C)cc5)c(C)nn4C(C)(C)C)c3)cc2)CC1,OKYLEDVIOCYUJY-UHFFFAOYSA-N
-rxn:4:199870:223970,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,IOIUJIAAIZMVLF-UHFFFAOYSA-N
-rxn:4:199877:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc(OC)c1OC,CXKDYAUMUVMHCH-UHFFFAOYSA-N
-rxn:4:199954:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N=c4sc5cc(S(C)(=O)=O)ccc5n4CC(=O)OC)cc3)c2)CC1,XLHXLERPNVBPRG-UHFFFAOYSA-N
-rxn:4:199960:226844,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,BCHGVPFPGQNGFI-UHFFFAOYSA-N
-rxn:4:200014:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1C1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21,GGVHEUCSENAANW-UHFFFAOYSA-N
-rxn:4:200016:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)c1,UVSPFUXUYSYGLW-UHFFFAOYSA-N
-rxn:4:200023:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCc5c(OCC(=O)N6CCOCC6)cccc5C4=O)cc3)c2)CC1,PTEHQHQTCYBCKD-UHFFFAOYSA-N
-rxn:4:200026:223239,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cncc(C5CCCN5)c4)cc3)C(=O)N2C1c1ccc(OC)cc1,STFZUINPKCLXQC-UHFFFAOYSA-N
-rxn:4:200029:222632,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)c3ccccc23)CC1,KHNRNKXUTPZZNY-UHFFFAOYSA-N
-rxn:4:200029:224612,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)c3ccccc23)CC1,WQRNWEPKFYVSCS-UHFFFAOYSA-N
-rxn:4:200031:224612,CC(=O)N1CCc2cc(-c3ccc(OCCN4CCOCC4)cc3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,UWYOTWWYAOXCNP-UHFFFAOYSA-N
-rxn:4:200039:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,IEJDKCKDWZNAQK-UHFFFAOYSA-N
-rxn:4:200045:222540,CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)o3)c(=O)n2C1c1ccccc1,UNQXLGJKHDQWQK-UHFFFAOYSA-N
-rxn:4:200048:223279,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)[n+](C)c3ccccc32)C1,SPDOCLDRHQXYBU-UHFFFAOYSA-N
-rxn:4:200048:225723,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,VIMPCCQXLSIRPN-UHFFFAOYSA-N
-rxn:4:200056:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)c1,NFGLHWJUPCGAGN-UHFFFAOYSA-N
-rxn:4:200099:222540,CCOC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(C#N)c([N+](=O)[O-])c1,MUNXGTYRHXBXRI-UHFFFAOYSA-N
-rxn:4:200099:223753,CCOC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C#N)c([N+](=O)[O-])c1,FCXWRDYGBLNULR-UHFFFAOYSA-N
-rxn:4:200101:223753,CCOC(=O)c1cc(C#N)c([N+](=O)[O-])c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,WTFUGANZSVSMDK-UHFFFAOYSA-N
-rxn:4:200102:222540,CCOC(=O)c1c(C#N)ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1[N+](=O)[O-],WUVOMJVGGCFJMC-UHFFFAOYSA-N
-rxn:4:200103:222540,CCOC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c([N+](=O)[O-])c1C#N,GSDOOWSBZLFJTP-UHFFFAOYSA-N
-rxn:4:200106:222540,CCOC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(C#N)c1[N+](=O)[O-],CPTCJTYUZCHCFK-UHFFFAOYSA-N
-rxn:4:200110:223753,CCOC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c([N+](=O)[O-])cc1C#N,DJERUEQIIJMLCF-UHFFFAOYSA-N
-rxn:4:200118:222540,COC(=O)C(C#N)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1[N+](=O)[O-],RKWBPXBYXAKCOK-UHFFFAOYSA-N
-rxn:4:200123:222540,COC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1-c1cccc(C(=O)NCCN2CCCCC2)c1,JSBVGQIHTIVAEU-UHFFFAOYSA-N
-rxn:4:200136:223895,CCN1CCN(CCOc2ccc(-c3cc(C#N)c(CC(=O)OC)c([N+](=O)[O-])c3)cc2)CC1,NFNRZBSCWLCPQI-UHFFFAOYSA-N
-rxn:4:200166:222540,COC(=O)C(C#N)c1c(C)cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1[N+](=O)[O-],WAYNEVDSGKNZRZ-UHFFFAOYSA-N
-rxn:4:200166:222632,COC(=O)C(C#N)c1c(C)cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1[N+](=O)[O-],RWJJOQRFNLSLNF-UHFFFAOYSA-N
-rxn:4:200276:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCN4CCCC4)nc3F)c(F)cc2C)CC1,GMAIBWUWWJOHST-UHFFFAOYSA-N
-rxn:4:200309:224679,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cc1,XHJUUEQCSAGEDJ-UHFFFAOYSA-N
-rxn:4:200353:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(C(=O)OCC)cnn3CC3CCCCC3)c(F)c2)CC1,SBKMCOZJQZQPCN-AQYVVDRMSA-N
-rxn:4:200361:225355,COC(=O)c1ccc(-c2cncc(C(=O)OCC(=O)N3CCC(C)CC3)c2)c(C(F)(F)F)c1,VSQARFYKYHOLEW-UHFFFAOYSA-N
-rxn:4:200445:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3)cc2)c1,VXXYIHGJEGFFQZ-UHFFFAOYSA-N
-rxn:4:200445:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccccc4)cc3)cc2)CC1,VXEOKKJLAYPJIP-UHFFFAOYSA-N
-rxn:4:200452:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3Cl)cc2)c1,HYJZIWLUKHFNTR-UHFFFAOYSA-N
-rxn:4:200453:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc(Cl)c4)cc3)cc2)CC1,QFBMXPVBFBXYFV-UHFFFAOYSA-N
-rxn:4:200459:222632,O=C(CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,JHBOHWHEOLZNHT-UHFFFAOYSA-N
-rxn:4:200466:222540,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2Cl)CC1,WMEDNAWQHZZLBZ-UHFFFAOYSA-N
-rxn:4:200473:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,XTMLGKMMNJAUAA-LJQANCHMSA-N
-rxn:4:200480:225656,CCOC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cncc(N2CCCCC2C)c1,GHOWSHHQVDZQMP-UHFFFAOYSA-N
-rxn:4:200505:222540,CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)C1=O,WHRGZJBXAZHBEY-UHFFFAOYSA-N
-rxn:4:200515:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C4CCCC4)cc3)cc2)CC1,USDIZQZXPUBNPS-UHFFFAOYSA-N
-rxn:4:200519:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)cc1,BFIGQGJEZFRQTM-FQEVSTJZSA-N
-rxn:4:200520:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)cc2)c1,YIYIFJIFJPOPHH-UHFFFAOYSA-N
-rxn:4:200526:222540,Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,MGDGTFUBZRSKTJ-UHFFFAOYSA-N
-rxn:4:200527:222540,Cc1cccc(CSC2=NCCN2C(=O)c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)c1,DRJKXZPRYLLCNA-UHFFFAOYSA-N
-rxn:4:200532:222540,Cc1ccc(CSC2=NCCN2C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cc1,YSXJYWQKALSUDK-UHFFFAOYSA-N
-rxn:4:200536:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3cccc(Cl)c3)o2)c1,UKLKQWLQPCXOMJ-UHFFFAOYSA-N
-rxn:4:200537:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccc(Cl)cc3)o2)c1,IFNJJZJOGCYRNX-UHFFFAOYSA-N
-rxn:4:200557:222540,CCCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,ILCLMJSOENEHEX-UHFFFAOYSA-N
-rxn:4:200561:223998,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cc2C(=O)OC)CC1,BVSVGTAIVWDQFX-UHFFFAOYSA-N
-rxn:4:200567:223279,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(C)c2)CC1,LJONXISGCKVIRR-UHFFFAOYSA-N
-rxn:4:200584:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc(C)cc4)cc3)cc2)CC1,CULNTBLRZDIPJU-UHFFFAOYSA-N
-rxn:4:200602:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,XPSPQNKSNKIWGM-UHFFFAOYSA-N
-rxn:4:200631:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C=C3SC(=S)N(CCC(=O)N4CCOCC4)C3=O)c2)c1,LEMUZDJTHKZVDW-UHFFFAOYSA-N
-rxn:4:200635:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3OC)cc2)CC1,NQCXKSBNVBUWTO-UHFFFAOYSA-N
-rxn:4:200648:223084,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)CC1,ITKHADFTPRSLGY-UHFFFAOYSA-N
-rxn:4:200648:223932,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)CC1,QSFDTENGFMIEOA-UHFFFAOYSA-N
-rxn:4:200653:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)C1,UVVIOEGFXNGSAQ-UHFFFAOYSA-N
-rxn:4:200660:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,LSKSNVDQCURDLC-UHFFFAOYSA-N
-rxn:4:200667:222540,Cc1ccc(N(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)o2)C(=O)N2CCCCC2)cc1,CXGJAYFXZXQAHY-UHFFFAOYSA-N
-rxn:4:200688:222540,CCN(CC)Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1N1CCCCC1,NBHAYFJBERNFGA-UHFFFAOYSA-N
-rxn:4:200718:222540,O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,HCSWLKMEYMWIQD-UHFFFAOYSA-N
-rxn:4:200723:222540,O=C(CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,FZVCBGWGXGTNAZ-UHFFFAOYSA-N
-rxn:4:200723:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)CCN4CCN(c5cccc(Cl)c5)CC4)cc3)c(F)c2)CC1,VRJZVZKJTARZBU-UHFFFAOYSA-N
-rxn:4:200724:222632,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2Cl)CC1,OTZIPPKWTXASBK-UHFFFAOYSA-N
-rxn:4:200733:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,HRPRXFUYYIPPLJ-UHFFFAOYSA-N
-rxn:4:200751:222540,COc1cccc(C(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2c2ccco2)c1,UAYOCJGIHMZFHP-UHFFFAOYSA-N
-rxn:4:200752:223569,COc1cccc(C(=O)N2N=C(c3ccco3)CC2c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)c1,RONDMQFGDYAXNC-UHFFFAOYSA-N
-rxn:4:200757:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2)c1,PFNOVVCJQCQCQG-UHFFFAOYSA-N
-rxn:4:200766:224686,Cc1cc(OCC2CCN(C(=O)c3cccc(-c4ccc(C(=O)N5CCCCC5)cc4F)c3)CC2)ccn1,LNUISNWNDHHQRQ-UHFFFAOYSA-N
-rxn:4:200776:222956,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C)cc3C3CCCNC3)CC2)cc1,VQMDXOOHDSTCCF-UHFFFAOYSA-N
-rxn:4:200777:222540,Cc1ccc(S(=O)(=O)N(c2cncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CRUYACNDSDWOIH-UHFFFAOYSA-N
-rxn:4:200787:223295,C[C@H]1CN(C(=O)c2ccc(-c3cncc(NS(C)(=O)=O)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,RMOUZPVZKRQPNL-HNNXBMFYSA-N
-rxn:4:200800:222540,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)ccn1,VXJKKDZCXPUWFX-UHFFFAOYSA-N
-rxn:4:200815:222632,CC(c1cccc(-c2cccc(C(=O)NCCN3CCCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ZRTQAZSGSOGZBZ-UHFFFAOYSA-N
-rxn:4:200817:227059,COc1ccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(C)C,CAHDZZGWMWVEQW-UHFFFAOYSA-N
-rxn:4:200818:223279,C[C@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,OKGYSZKKGHGGDK-LBOXEOMUSA-N
-rxn:4:200822:222729,CCCc1cc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCCNC2)n1,VKLRWDFOJUJKEQ-UHFFFAOYSA-N
-rxn:4:200822:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,MZQSHJYTPCRAKO-UHFFFAOYSA-N
-rxn:4:200842:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C2CC2)CC1,CRQHEFPYOTWPQV-UHFFFAOYSA-N
-rxn:4:200845:224653,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)cc(C3CC3)c2)CC1,ZYGPTSBQFHFFLR-UHFFFAOYSA-N
-rxn:4:200846:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)CC1,BTAGTLYZCCWJAF-UHFFFAOYSA-N
-rxn:4:200858:222540,CC(C)N1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2Oc2ccccc2)CC1,FRHSEZZLUZZWRU-UHFFFAOYSA-N
-rxn:4:200867:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1cnc(C2CCCN2)nc1,AUHIDEUYFVZYSO-UHFFFAOYSA-N
-rxn:4:200871:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,HYXULVLNDWNOEG-UHFFFAOYSA-N
-rxn:4:200875:223279,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,UEIUOJXXFIAIEA-UHFFFAOYSA-N
-rxn:4:200876:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCC3)cc1OC,OKRFHOIIZHKAGE-UHFFFAOYSA-N
-rxn:4:200881:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSCC2)CC1,OOWRVTJYQYPNIH-UHFFFAOYSA-N
-rxn:4:200901:226844,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=S)c1,ATVRPQKKQGICBS-UHFFFAOYSA-N
-rxn:4:200902:226844,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)cc1,INCGNWUELPPIQE-UHFFFAOYSA-N
-rxn:4:200931:223753,C#CCn1c(=NC(=O)c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)s2)sc2cc(OC)ccc21,BKRCDYLQVZQINP-UHFFFAOYSA-N
-rxn:4:200966:222540,CCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)sc2cc(C(=O)OC)ccc21,SEKCVEZGRHVCOM-UHFFFAOYSA-N
-rxn:4:201003:222540,CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)n2C,JKLDACAVDFLDSZ-UHFFFAOYSA-N
-rxn:4:201023:222540,CCn1c(=NC(=O)c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)sc2cc(C(=O)OC)ccc21,KJVZCTJOQAIBSB-UHFFFAOYSA-N
-rxn:4:201029:223888,CC(C)(C)OC(=O)Cn1cnc2c(-c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3)csc2c1=O,BDQNBCXBKSPEAV-UHFFFAOYSA-N
-rxn:4:201034:222540,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc21)c1ccccc1,RLDWGMYWQPRCPU-UHFFFAOYSA-N
-rxn:4:201059:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc4ccccc4c3)cc2)c1,YBEJQYXVCAQDBW-UHFFFAOYSA-N
-rxn:4:201059:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc5ccccc5c4)cc3)cc2)CC1,MYHQSTSGVVAABT-UHFFFAOYSA-N
-rxn:4:201085:222540,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)C2=O)c2ccccc21,WITHTTPFBZRIKB-UHFFFAOYSA-N
-rxn:4:201090:223753,Cc1ccc(-c2ccc(C(=O)Oc3c(CN4CCOCC4)cc(Cl)c4cccnc34)cc2)cc1OCCCN1CCN(C)CC1,CKLVBOAQIPCOSI-UHFFFAOYSA-N
-rxn:4:201118:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,XOTFYBNESCMKHA-UHFFFAOYSA-N
-rxn:4:201119:222632,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C2=O)c2ccccc21,LSQPSJTWXDLFBQ-UHFFFAOYSA-N
-rxn:4:201119:226844,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,XRBOWSFGQLRVNI-UHFFFAOYSA-N
-rxn:4:201120:223279,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)N2C1c1ccccc1,PSFIARFLGAGRMA-UHFFFAOYSA-N
-rxn:4:201121:222540,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)N2C(=O)CCSC2=N1,ILFPVNBOGLIQRQ-UHFFFAOYSA-N
-rxn:4:201124:225575,COC(=O)c1ccc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CC1,DQVCVDOORBDSSN-UHFFFAOYSA-N
-rxn:4:201142:222632,CCc1cc2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,QVKSDNDRQXIOHS-UHFFFAOYSA-N
-rxn:4:201147:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HDTZWSRWGHUQEY-UHFFFAOYSA-N
-rxn:4:201154:224612,CC1(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC(C)(C)N(C(=O)CSc2nc3ccccc3s2)c2ccccc21,IPKMLQFYXCGYCL-UHFFFAOYSA-N
-rxn:4:201157:222632,CCn1c(SCC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)nc2sc3c(c2c1=O)CCCC3,ZUPMMDVZDKLFEQ-UHFFFAOYSA-N
-rxn:4:201182:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)c1,YLIIYYUNUFOUCR-UHFFFAOYSA-N
-rxn:4:201183:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)c1,AJNVSLMZAQDJDU-UHFFFAOYSA-N
-rxn:4:201184:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)c1,DYHCKOCGVJPVJN-UHFFFAOYSA-N
-rxn:4:201190:223279,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cnc(C4CCCN4)nc2)c1)N(CCCN1CCOCC1)C3=O,UJKCACFWZHMVEZ-UHFFFAOYSA-N
-rxn:4:201249:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C#N)c([N+](=O)[O-])c1,GGXSZCOCEJVIQA-UHFFFAOYSA-N
-rxn:4:201251:223753,COC(=O)c1cc(C#N)c([N+](=O)[O-])c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,BQNURJPUJJBBRU-UHFFFAOYSA-N
-rxn:4:201426:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCC4)c([N+](=O)[O-])c3)c(F)cc2C)CC1,QRCLBOWYHFOUKI-UHFFFAOYSA-N
-rxn:4:201516:222540,N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,WGBYFCDBNHQWPI-UHFFFAOYSA-N
-rxn:4:201602:223712,COc1ccc(-c2cncc(OCCN3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,NVFIXSAUGARIRE-UHFFFAOYSA-N
-rxn:4:201674:224612,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2ccc(OCCN3CCOCC3)cc2)C1=O,OGJFXGUJHRQLBX-UHFFFAOYSA-N
-rxn:4:201677:225723,CN(C)CCOc1ccc(-c2cccc(N3CCCC(C(=O)CC#N)C3=O)c2F)cc1Cl,QUJACOPNBHOYSS-UHFFFAOYSA-N
-rxn:4:201702:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccncc4)C3)o2)cc1OCCCN1CCN(C)CC1,ROHMMGWPYPCXFW-UHFFFAOYSA-N
-rxn:4:201707:223753,Cc1ccc(-c2ccc(OC3CCN(C(=O)c4ccco4)C3)nc2)cc1OCCCN1CCN(C)CC1,YEIAEEWSOGBWEX-UHFFFAOYSA-N
-rxn:4:201760:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2C(=O)CSC2=O)C1,FANCCPDPEMYZFX-UHFFFAOYSA-N
-rxn:4:201777:223581,COC(=O)c1cccc2cc(-c3csc(C4CCN(C(=O)OC(C)(C)C)C4)n3)n(C(=O)OC(C)(C)C)c12,WZWFXPQWKUKQIB-UHFFFAOYSA-N
-rxn:4:201823:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1,CKYNJCJJQKDUPC-UHFFFAOYSA-N
-rxn:4:201823:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1,ZKWORYMOSTUXOE-UHFFFAOYSA-N
-rxn:4:201823:224198,CCN1CCN(Cc2ccc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)c(F)c2)CC1,DANFQJCPXNBVAT-UHFFFAOYSA-N
-rxn:4:201823:225723,CN(C)CCOc1ccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1Cl,XMKIGRLPORKMKU-UHFFFAOYSA-N
-rxn:4:201851:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)c(S(=O)(=O)n4nc(C)cc4C)cc3OC)cc2)CC1,WXOWKHHLJHXWGF-UHFFFAOYSA-N
-rxn:4:201860:223755,Cc1cc(OC2CN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)C2)ccn1,SOJLMYAJCUJSTR-UHFFFAOYSA-N
-rxn:4:201866:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)o2)c1,YJSRSHRMNOKRBM-UHFFFAOYSA-N
-rxn:4:201870:225947,CN1CCN(c2ncc(-c3ccc(Cl)c(C(=O)N4CC(CN5C(=O)CCC5=O)C4)c3)cn2)CC1,ZVVLKTAHGQWTNK-UHFFFAOYSA-N
-rxn:4:201908:224597,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)C1,LTPAYRGAGBSKIM-UHFFFAOYSA-N
-rxn:4:201913:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncc5Cl)C4)cc3)cc2)CC1,RVHMZRFVYJOUDO-UHFFFAOYSA-N
-rxn:4:201929:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nc(C3CCCN(C(=O)OC(C)(C)C)C3)cs2)cc1,XLXGXIPLVMIGCJ-UHFFFAOYSA-N
-rxn:4:201976:223755,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,QSEMZCJEXJHFOY-UHFFFAOYSA-N
-rxn:4:202001:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)c1,KLEMCWNXQDAIBE-UHFFFAOYSA-N
-rxn:4:202023:226844,O=C(c1cc(-c2cc(CN3CCN(C4CC4)CC3)cc(C(F)(F)F)c2)ccn1)C(F)(F)F,PANBELQFTWXPMB-UHFFFAOYSA-N
-rxn:4:202027:222540,CCC(=O)N1N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1c1ccccc1,ZXHCOMYJISEBFA-UHFFFAOYSA-N
-rxn:4:202044:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5ccc(Cl)cn5)CC4)cc3)cc2)CC1,YWEDDGMJUUJGLL-UHFFFAOYSA-N
-rxn:4:202048:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCCC(Oc5ccncc5Cl)C4)c3)cc2)CC1,RHJUVLNKQWGPGF-UHFFFAOYSA-N
-rxn:4:202076:222540,CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)o2)CC1,VVMUAIPLFHRYEU-UHFFFAOYSA-N
-rxn:4:202079:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncc4)CC3)cc2)c1,CMRTZYSHDDYPKG-UHFFFAOYSA-N
-rxn:4:202079:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncc5)CC4)cc3)cc2)CC1,WPORVBXEPYEXPP-UHFFFAOYSA-N
-rxn:4:202081:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ccncc4)C3)cc2)c1,YZDLCJKHWRPZLK-UHFFFAOYSA-N
-rxn:4:202084:222622,CCC(C)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3cccc(Cl)c3C)C2)cc(C2CCCNC2)n1,JXGGQMHMJVCOLZ-UHFFFAOYSA-N
-rxn:4:202087:222540,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cc1[N+](=O)[O-],VGZKBNNMRLEGPZ-UHFFFAOYSA-N
-rxn:4:202087:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4SCCN4S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c2)CC1,GFQFVWHEHHQTPW-UHFFFAOYSA-N
-rxn:4:202098:225544,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1OCC(C)C,ILDVEYHJWUGWDU-UHFFFAOYSA-N
-rxn:4:202099:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1,XUDUMHSTKDNNJW-UHFFFAOYSA-N
-rxn:4:202101:225613,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccnc(OC3CCCCC3)c2)cs1,JCGZZWVRBIRBIQ-UHFFFAOYSA-N
-rxn:4:202105:225231,CC1CCCCN1c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)cnc1Cl,UWVFIZJSMYDQFW-UHFFFAOYSA-N
-rxn:4:202109:222540,Cc1cc(OCC(=O)N2CCN(C)CC2)cc(C)c1-c1cccc(C(=O)NCCN2CCCCC2)c1,CMQDMXVLRVPEDQ-UHFFFAOYSA-N
-rxn:4:202109:223753,Cc1ccc(-c2c(C)cc(OCC(=O)N3CCN(C)CC3)cc2C)cc1OCCCN1CCN(C)CC1,KYMBFPIXGUVXIE-UHFFFAOYSA-N
-rxn:4:202112:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(CC(C)C)CC4)cc3)c2)CC1,ZCGSBWRTQPMGBJ-UHFFFAOYSA-N
-rxn:4:202120:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,FQYMPHWXZCTANP-UHFFFAOYSA-N
-rxn:4:202127:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnccc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,KILKVSQEIDUXAX-UHFFFAOYSA-N
-rxn:4:202136:224078,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,CSUDIATVGYOZLZ-UHFFFAOYSA-N
-rxn:4:202146:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2F)CC1,CXDSRZCKKLNZLK-UHFFFAOYSA-N
-rxn:4:202147:222540,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,IMQXJIYFHWLVCH-UHFFFAOYSA-N
-rxn:4:202150:222540,CCC1(C)N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)C(=S)N1C(=O)c1ccccc1,NAPNXSIOHSQBIK-UHFFFAOYSA-N
-rxn:4:202156:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3)c(F)c2)CC1,XXJVFDZJWCWHMZ-UHFFFAOYSA-N
-rxn:4:202194:222540,COc1ccccc1N1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,KTPRPISCNQNWMT-UHFFFAOYSA-N
-rxn:4:202200:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCOCC1,ORTZYEXGYHANON-UHFFFAOYSA-N
-rxn:4:202227:224330,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,AXVUHFVKSYQZMY-UHFFFAOYSA-N
-rxn:4:202227:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,JIMNXJQDOVTINL-UHFFFAOYSA-N
-rxn:4:202229:226844,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YEPBFGVJAIBDHE-UHFFFAOYSA-N
-rxn:4:202234:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,VIABZQCTEIDYPU-UHFFFAOYSA-N
-rxn:4:202239:222632,CN1CCN(Cc2ccc(C(=O)c3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3)cc2)CC1,KVZVRVOBISZUGB-UHFFFAOYSA-N
-rxn:4:202240:222540,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)cc2)CC1,MVYCAUROBOLOEQ-UHFFFAOYSA-N
-rxn:4:202247:222540,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3F)cc2)CC1,XZJKQWNEKYYCCV-UHFFFAOYSA-N
-rxn:4:202247:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)c(F)c3)ccc2F)CC1,QUMCJJATLQAIMC-UHFFFAOYSA-N
-rxn:4:202253:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC(C)(CC)N(C(=O)c5ccc(C)cc5)C4=S)cc3)c(F)c2)CC1,XFBMBSOJNARYBN-UHFFFAOYSA-N
-rxn:4:202254:222540,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2c2ccco2)cc1,RGBAUWHEUPCXGO-UHFFFAOYSA-N
-rxn:4:202259:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4ccccc4Cl)C3)cc2)c1,VWJAKBNMNZKCCL-UHFFFAOYSA-N
-rxn:4:202261:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)ccc2F)CC1,OILUZOBXBSIDFW-UHFFFAOYSA-N
-rxn:4:202262:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCC(O[Si](C)(C)C(C)(C)C)C4)nc3)c2)CC1,RKIQPXFHISXXLL-UHFFFAOYSA-N
-rxn:4:202266:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCCCC1,KBWSLXQEKYXRMU-UHFFFAOYSA-N
-rxn:4:202271:223239,O=C(C1CCCN(Cc2ccccc2-c2cncc(C3CCCN3)c2)C1)N1CCOCC1,RSDQXNNNGIBZFN-UHFFFAOYSA-N
-rxn:4:202276:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)ccn1)C(F)(F)F,VXOBTYCYYFGUTP-UHFFFAOYSA-N
-rxn:4:202279:222632,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1cccc(C(=O)NCCN2CCCC2)c1,HUXGDRKMYDTURW-UHFFFAOYSA-N
-rxn:4:202284:226142,COc1ccc(-c2cccc(OC3CCCC3)c2)cc1CN1CCC(N2CCCC2)CC1,SJFJEZZSHIBGRR-UHFFFAOYSA-N
-rxn:4:202293:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CC(C(C)(C)C)=NN2S(=O)(=O)c2ccccc2)cc1,JHCGSGPGCWAWLY-UHFFFAOYSA-N
-rxn:4:202303:225947,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCN(C)CC2)nc1,JWCYQVBWCFGTLB-UHFFFAOYSA-N
-rxn:4:202316:222540,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2c2ccccc2)cc1,VMOFXQIRRLIUEA-UHFFFAOYSA-N
-rxn:4:202316:223755,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2c2ccccc2)cc1,USURBTBTOVHZNN-UHFFFAOYSA-N
-rxn:4:202318:222630,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)oc2N2CCOCC2)cc1,IHRDHPNKJPNAIV-UHFFFAOYSA-N
-rxn:4:202318:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccc(C)cc5)c(N5CCOCC5)o4)cc3)cc2)CC1,HPAUVPVOIHGGDV-UHFFFAOYSA-N
-rxn:4:202322:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCC(C(F)(F)F)CC4)c(N4CCCCC4)c3)c2)CC1,DHAPZXPMVFBVDY-UHFFFAOYSA-N
-rxn:4:202325:222540,Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)o3)CC2)c1,PIIDLCZEQBECMW-UHFFFAOYSA-N
-rxn:4:202335:222540,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)=NC23CCCCC3)cc1,NPAIRURNUYUWDZ-UHFFFAOYSA-N
-rxn:4:202335:224612,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NC23CCCCC3)cc1,QGKKGCGXRTUHAE-UHFFFAOYSA-N
-rxn:4:202337:222632,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)o2)CC3)cc1,XVHSJOGPXDUYBG-UHFFFAOYSA-N
-rxn:4:202338:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1,WOQGFIOQXATWGJ-UHFFFAOYSA-N
-rxn:4:202349:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)cc1,PJHIRXPPKCNRSW-UHFFFAOYSA-N
-rxn:4:202387:222540,CCOC(=O)c1c(C(F)(F)F)[nH]c2nc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc12,JMCBCUPWWHNEOY-UHFFFAOYSA-N
-rxn:4:202424:223529,CCOC(=O)c1c(C(F)F)nc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc(C)cn12,HNTNBFZXWFJMMN-UHFFFAOYSA-N
-rxn:4:202518:223556,CC(C)[C@H]1c2nc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)sc2CN1C(=O)OC(C)(C)C,FNIVWNYKCICSPN-VWLOTQADSA-N
-rxn:4:202564:228339,COC(=O)c1cnccc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,CJCOTEBVOTUMFH-UHFFFAOYSA-N
-rxn:4:202618:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc([N+](=O)[O-])cc4)cc3c2)c1,QVVHPIGFJNIFGG-UHFFFAOYSA-N
-rxn:4:202654:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)cc2)CC1,WOOPCMZWHJDHRQ-UHFFFAOYSA-N
-rxn:4:202655:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,IESDLCBWVUWZGQ-UHFFFAOYSA-N
-rxn:4:202674:222540,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cnc21,JVHXSZJVAGLYGY-UHFFFAOYSA-N
-rxn:4:202674:222619,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(CNC(=O)C4CCCCC4)cc3)cnc21,TYTHATXFFKLJIQ-UHFFFAOYSA-N
-rxn:4:202674:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,MPGXAOPBHKIILT-UHFFFAOYSA-N
-rxn:4:202677:223776,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)ccnc21,JUZDFTKHTHVGOZ-UHFFFAOYSA-N
-rxn:4:202677:224129,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)N(C)C4CCCCC4)c3)ccnc21,HLNUXZJNZLLTMA-UHFFFAOYSA-N
-rxn:4:202679:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c(Cl)n2)cc1,BVILTIQPHKTONU-UHFFFAOYSA-N
-rxn:4:202687:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CC(=O)N3CC(N4CCc5ccccc5C4)C3)cc2)c1,DAJXEFWFYKANTE-UHFFFAOYSA-N
-rxn:4:202690:222540,CC1Oc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,XZSFHKHJXJRJOX-UHFFFAOYSA-N
-rxn:4:202690:222632,CC1Oc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,IZGXQYJWVYVTIJ-UHFFFAOYSA-N
-rxn:4:202690:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)CN(CCc3ccc(S(N)(=O)=O)cc3)C(=O)C(C)O4)cc2F)CC1,BIMIWYPDWYAPJY-UHFFFAOYSA-N
-rxn:4:202697:222632,COc1ccc(N2C(=NC(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,BJFXGEDREOAIOV-UHFFFAOYSA-N
-rxn:4:202700:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,LQUZYNCADZSHTL-UHFFFAOYSA-N
-rxn:4:202704:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(OC)cc4)cc3)cc2)CC1,RIXKWRDXZORUBK-UHFFFAOYSA-N
-rxn:4:202708:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=C3SC(=S)N(Cc5ccc(OC)cc5)C3=O)C(=O)N4CC)c2)CC1,YJRROOYLKGIAME-UHFFFAOYSA-N
-rxn:4:202719:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCCC5)cnc5ccccc45)cc3)cc2)CC1,ZNGWWNBPQNRABE-UHFFFAOYSA-N
-rxn:4:202729:226844,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,GTMARUCSPHULCV-UHFFFAOYSA-N
-rxn:4:202730:222540,COc1ccccc1N1CCN(C(=O)c2oc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3c2C)CC1,QDMXWHKZTCOBRZ-UHFFFAOYSA-N
-rxn:4:202734:222721,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,XBRPPOVUVFBPTB-UHFFFAOYSA-N
-rxn:4:202734:223658,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,QPPJWWSLIHRSQU-UHFFFAOYSA-N
-rxn:4:202737:222540,CCc1cccc(N2C(=O)N(Cc3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)c3ccccc3S2(=O)=O)c1,XCJQISYWLOECAK-UHFFFAOYSA-N
-rxn:4:202792:223753,CCOc1cccc(C2c3c(oc4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cc4c3=O)C(=O)N2c2cc(C)on2)c1,QQWIPWOZVXVBOJ-UHFFFAOYSA-N
-rxn:4:202793:222540,CC(C)Oc1ccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2nccs2)cc1,LOLOHURWRGTWOU-UHFFFAOYSA-N
-rxn:4:202806:222540,CCOc1cccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,JSDNTQZQMBRMRL-UHFFFAOYSA-N
-rxn:4:202806:222632,CCOc1cccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,QLEHWWYMMOUHBH-UHFFFAOYSA-N
-rxn:4:202807:222394,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1,NKSUKWXVTZJXNT-BVSZHSDESA-N
-rxn:4:202807:222397,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCc3c[nH]cn3)cc2)cc1,JFJWHLNRKMZWNV-UHFFFAOYSA-N
-rxn:4:202807:222449,COc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1S(=O)(=O)NCc1ccccc1,LUDLIISWCBXOGD-UHFFFAOYSA-N
-rxn:4:202807:222480,Cc1cccc(NC(=O)c2cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)ccc2F)c1C,ASFCJZLCPAVRIJ-UHFFFAOYSA-N
-rxn:4:202807:222506,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2Cl)cc1,JHPQGNKONKSHCJ-UHFFFAOYSA-N
-rxn:4:202807:222515,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1,RWOKVTOFFIVIRE-UHFFFAOYSA-N
-rxn:4:202807:222549,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cnc1NCC(=O)c1ccccc1,IHGMWLISBDSVHJ-UHFFFAOYSA-N
-rxn:4:202807:222555,COc1ccc(NC(=O)c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)cc1,JZSGCTVRNYODGT-UHFFFAOYSA-N
-rxn:4:202807:222561,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1,NGILGOVVPCPAFR-UHFFFAOYSA-N
-rxn:4:202807:222565,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1,CPZOZROOEBENRI-UHFFFAOYSA-N
-rxn:4:202807:222567,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1,ZQKNEPCARMRGRG-UHFFFAOYSA-N
-rxn:4:202807:222568,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1,AOJFLRHMFSKBBY-UHFFFAOYSA-N
-rxn:4:202807:222571,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2Cl)cc1,GNBAGPZSFWSTRQ-UHFFFAOYSA-N
-rxn:4:202807:222584,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,DTRAZDGRNYJKDY-UHFFFAOYSA-N
-rxn:4:202807:222597,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)cc1,KJSZGOSTPLOGPD-UHFFFAOYSA-N
-rxn:4:202807:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,FFIZGSZXRLRMRW-UHFFFAOYSA-N
-rxn:4:202807:222847,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C#N)cc(C3CCCNC3)c2)cc1,CDNWYXKRUFZJDY-UHFFFAOYSA-N
-rxn:4:202807:222859,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCN(C)C)cc2)cc1,JIKINMXXBILZSP-UHFFFAOYSA-N
-rxn:4:202807:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,XRSSBPBFGGMBOH-UHFFFAOYSA-N
-rxn:4:202807:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,NPASNYIWVMOUCW-UHFFFAOYSA-N
-rxn:4:202807:222925,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1,WPZYNCFGRBUIAN-UHFFFAOYSA-N
-rxn:4:202807:222980,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCNCC3)cc2)cc1,KGTWIJCCEUEXMC-UHFFFAOYSA-N
-rxn:4:202807:222991,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1,VVMHZWUVQVSPNR-UHFFFAOYSA-N
-rxn:4:202807:223008,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C3CCNCC3)ccc2F)cc1,CSBHHBJJYGTQSX-UHFFFAOYSA-N
-rxn:4:202807:223023,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNC(=O)N(C)C)cc2)cc1,CHYLBQNPZLXZAJ-UHFFFAOYSA-N
-rxn:4:202807:223025,CCCNC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1Cl,HUHVHHRUMXXEFO-UHFFFAOYSA-N
-rxn:4:202807:223042,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NC(C)C)c(Cl)c2)cc1,WYBPHCKYVJHPAM-UHFFFAOYSA-N
-rxn:4:202807:223132,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(N3CCNCC3)c2)cc1,YGNGESLQSSCVEP-UHFFFAOYSA-N
-rxn:4:202807:223144,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCC(O)C3)cc2)cc1,VJIXDVDNBMJBKE-UHFFFAOYSA-N
-rxn:4:202807:223145,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1,BRTWJKQTQBJHJJ-UHFFFAOYSA-N
-rxn:4:202807:223150,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccnc(NCCN(C)C)c2)cc1,ULPGGCHQRPVFGN-UHFFFAOYSA-N
-rxn:4:202807:223169,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C3CCNCC3)nc2)cc1,TYFBPUZOBJVHFD-UHFFFAOYSA-N
-rxn:4:202807:223179,CONC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1F,WVWBABNGHYKFGV-UHFFFAOYSA-N
-rxn:4:202807:223240,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CCNC3)nc2)cc1,OODOSKDTRCKTIY-UHFFFAOYSA-N
-rxn:4:202807:223675,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1,CHROWRJRIULPCX-UHFFFAOYSA-N
-rxn:4:202807:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)cc1,LAHOQGBHXOWDDF-UHFFFAOYSA-N
-rxn:4:202807:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)c1,JEDFHLIDSZAZJW-UHFFFAOYSA-N
-rxn:4:202807:223794,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)cc1,XGARUZCBKUBPLM-UHFFFAOYSA-N
-rxn:4:202807:223824,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,KWKXGRDVSZPCLO-UHFFFAOYSA-N
-rxn:4:202807:223825,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)cc1,DDUUXESUFHOZCW-UHFFFAOYSA-N
-rxn:4:202807:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,DPGRUBHNVRBJHI-UHFFFAOYSA-N
-rxn:4:202807:223892,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1,DDEOAIJXTZNNDV-UHFFFAOYSA-N
-rxn:4:202807:223926,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1,CUEFTBJCWDJEAJ-UHFFFAOYSA-N
-rxn:4:202807:223951,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1,QXHHVOQPGAZIDX-UHFFFAOYSA-N
-rxn:4:202807:223952,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1,CIEXJZIYTKWJCS-UHFFFAOYSA-N
-rxn:4:202807:223964,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1,YTLXOCIGVOKNEH-UHFFFAOYSA-N
-rxn:4:202807:224080,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1,JOPQVDRIZWKKRY-UHFFFAOYSA-N
-rxn:4:202807:224126,CCN1CCN(C(C)c2cccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,XCLLPQSQZIBGRH-UHFFFAOYSA-N
-rxn:4:202807:224155,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,PXUMKKFXTYSMLE-UHFFFAOYSA-N
-rxn:4:202807:224179,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc1,OXBGKEYMTJETTK-UHFFFAOYSA-N
-rxn:4:202807:224182,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1OCCN1CCOCC1,AVTNSMACVSJQMA-UHFFFAOYSA-N
-rxn:4:202807:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)CC1,GABSBYWDCNSQCM-UHFFFAOYSA-N
-rxn:4:202807:224194,CCN1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2Cl)CC1,DPBPNFLETWBZTR-UHFFFAOYSA-N
-rxn:4:202807:224291,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1,AIXXPPKIRUGAPP-UHFFFAOYSA-N
-rxn:4:202807:224292,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1S(=O)(=O)OCC(C)(C)C,IPNPIBBPWCCWGA-UHFFFAOYSA-N
-rxn:4:202807:224317,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1,FJXIHRRPVLTTOP-UHFFFAOYSA-N
-rxn:4:202807:224371,COC(=O)C1CCN(c2ncc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cn2)CC1,NFDDOITVDATDEY-UHFFFAOYSA-N
-rxn:4:202807:224430,CCC(C)Oc1ccc2cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)ccc2c1,LUEAUPMSYQKPAL-UHFFFAOYSA-N
-rxn:4:202807:224460,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C3CC3)cc(N3CCCCC3)c2)cc1,MPCCLEQXDOBHHW-UHFFFAOYSA-N
-rxn:4:202807:224491,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(F)c(CN(C(C)C)C(C)C)c2)cc1,GKMMOFDXZOXXCJ-UHFFFAOYSA-N
-rxn:4:202807:224496,CCN1CCN(Cc2cccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,NSJSNRZSNDJCCY-UHFFFAOYSA-N
-rxn:4:202807:224502,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCC3CCCCN3C)c2)cc1,NHHCDXKPSGSVKO-UHFFFAOYSA-N
-rxn:4:202807:224570,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc1,XTFKPBARYCUVRK-UHFFFAOYSA-N
-rxn:4:202807:224571,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc1,GTNGIGLRRFULIX-UHFFFAOYSA-N
-rxn:4:202807:224624,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)cc1,JVWMJIYOFSAINU-UHFFFAOYSA-N
-rxn:4:202807:224670,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(CN3CCN(C)CC3)ccc2F)cc1,HVAPWZFPFKEFOV-UHFFFAOYSA-N
-rxn:4:202807:224865,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1,QAYIYGJLRGRABU-UHFFFAOYSA-N
-rxn:4:202807:224971,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1,HYEPWNBEOVHWFP-UHFFFAOYSA-N
-rxn:4:202807:224977,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCCC3)c(C#N)c2)cc1,WNAULCQHVAKVPB-UHFFFAOYSA-N
-rxn:4:202807:225088,COc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1OCCN(C)C,NZQWPYKVRFRJNS-UHFFFAOYSA-N
-rxn:4:202807:225423,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCCCN(C)C)cc2)cc1,HOBPHWOVKNMPQT-UHFFFAOYSA-N
-rxn:4:202807:225424,CCCCCC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,SUZRXFIEDAKKME-UHFFFAOYSA-N
-rxn:4:202807:225426,CCN(CC)C(C)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,PBEBWUSICLKEOA-UHFFFAOYSA-N
-rxn:4:202807:225465,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C3CCN(C)CC3)c2)cc1,NLGOMFDONFOCQG-UHFFFAOYSA-N
-rxn:4:202807:225516,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN(C)C)cc2)cc1,SDPLUDHIZQFPEU-UHFFFAOYSA-N
-rxn:4:202807:225552,CCN(C)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc(C2CC2)n1,GPZNMMPVQPOOLX-UHFFFAOYSA-N
-rxn:4:202807:225581,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1,IMOQEXDFPMOFNC-UHFFFAOYSA-N
-rxn:4:202807:225634,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cnc1N1CCCCC1,MMRZDHICKOSNFN-UHFFFAOYSA-N
-rxn:4:202807:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,CHRACTHELWQUFH-UHFFFAOYSA-N
-rxn:4:202807:225818,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1,QEDJCJRJBHFIOA-UHFFFAOYSA-N
-rxn:4:202807:225825,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCN(C)CC3)nc2)cc1,DWRGDFOFXUBOMQ-UHFFFAOYSA-N
-rxn:4:202807:225829,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(N3CCC(C)CC3)nc2)cc1,ZHZIMJCGEKDXQW-UHFFFAOYSA-N
-rxn:4:202807:225907,CCCc1ncc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1C(F)(F)F,AICAEFYTFYYBGO-UHFFFAOYSA-N
-rxn:4:202807:226028,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(F)(F)F)c(C#N)c2F)cc1,HGCNMDKRWOZNFN-UHFFFAOYSA-N
-rxn:4:202807:226084,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1,GQDFOGHYCHCXOX-UHFFFAOYSA-N
-rxn:4:202807:226088,CCN(CC)Cc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,PAPATUBKYVMRSF-UHFFFAOYSA-N
-rxn:4:202807:226094,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCC(C)C)cc2)cc1,UFLRYSOAKCWHFU-UHFFFAOYSA-N
-rxn:4:202807:226114,CCCC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C)c1,CFUMWBRLZXIMHT-UHFFFAOYSA-N
-rxn:4:202807:226128,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)CC3CC3)cc2)cc1,HFJHMYWRKPANAR-UHFFFAOYSA-N
-rxn:4:202807:226211,CC(=O)N1CCc2cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)ccc21,YTKFYOSQSWXAHF-UHFFFAOYSA-N
-rxn:4:202807:226232,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCN(C)C)c2)cc1,YCSGZOGEDVXDCJ-UHFFFAOYSA-N
-rxn:4:202807:226233,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN(C)C)cc2)cc1,JAURXBLTSFELBN-UHFFFAOYSA-N
-rxn:4:202807:226235,CCCCOc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C)n1,OTRKXHCWWKLORS-UHFFFAOYSA-N
-rxn:4:202807:226643,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCOCC3)nc2)cc1,GDIQASKLZQCQAF-UHFFFAOYSA-N
-rxn:4:202807:226843,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1,BYJHSZFKIKWWOM-UHFFFAOYSA-N
-rxn:4:202807:226910,CCC(C)(C)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,WWWGBCNPJZNZMW-UHFFFAOYSA-N
-rxn:4:202807:226911,CCc1cc(C)cc(CC)c1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,MZCBDLQUYQHEEU-UHFFFAOYSA-N
-rxn:4:202807:226988,COCCCc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,IYPCLQPVSKQJIA-UHFFFAOYSA-N
-rxn:4:202807:227024,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(C)N(C)C)c2)cc1,RINWOJFFLXKMRN-UHFFFAOYSA-N
-rxn:4:202807:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,NDUIROXPUGZCLX-UHFFFAOYSA-N
-rxn:4:202807:227512,COC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C)cn1,KEIULFUVOYHGOM-UHFFFAOYSA-N
-rxn:4:202807:227628,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C3CCC3)nc2Cl)cc1,JJMBZJITYUQSLE-UHFFFAOYSA-N
-rxn:4:202807:227655,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(F)c(F)c(N(C)C)c2)cc1,DXIWNAZJQYVNTK-UHFFFAOYSA-N
-rxn:4:202813:222904,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NC(=O)OC(C)(C)C)nc4)ccc2OC3c2ccccc2Cl)cc1,QDTGRTKFDOGPMI-UHFFFAOYSA-N
-rxn:4:202820:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C=Nc3cc4c5c(c3)C(c3ccccc3)CCN5CCC4c3ccccc3)cc2)c1,FPMPIFZOZULZDZ-UHFFFAOYSA-N
-rxn:4:203184:222540,CSC1=NCCN1C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)o1,NOTPDELFSNJMTR-UHFFFAOYSA-N
-rxn:4:203184:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN=C4SC)o3)cc2)CC1,GDBAAGLXKVLZHI-UHFFFAOYSA-N
-rxn:4:203218:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cn2)c1,KFWPSECJXVZUQX-UHFFFAOYSA-N
-rxn:4:203220:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)n3)cc2)CC1,NGNZEDDOYZPHBP-UHFFFAOYSA-N
-rxn:4:203221:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccn2)c1,OZGCHOSANORJTK-UHFFFAOYSA-N
-rxn:4:203531:222540,CSC1=NCCN1S(=O)(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,XKCNECIDGRURKQ-UHFFFAOYSA-N
-rxn:4:203651:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1,SAOWWYLRTIWMIA-UHFFFAOYSA-N
-rxn:4:203792:222540,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,PQLYLNZEOTZSNC-UHFFFAOYSA-N
-rxn:4:203792:223753,Cc1ccc(-c2ccc(C(=O)N=C3SCC(=O)N3c3ccccc3Cl)cc2)cc1OCCCN1CCN(C)CC1,CXQXKKJTMSSFCP-UHFFFAOYSA-N
-rxn:4:203792:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=C4SCC(=O)N4c4ccccc4Cl)cc3)cc2)CC1,LBTLZUDFYHZSDN-UHFFFAOYSA-N
-rxn:4:203796:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(N3C(=O)C(=Cc4ccccc4[N+](=O)[O-])SC3=S)c2)c1,UFIVLNFTBQHNGR-UHFFFAOYSA-N
-rxn:4:203806:222540,CCC(=O)N1CCN(c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)CC1,LUFQFAGAVFGEBJ-UHFFFAOYSA-N
-rxn:4:203840:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1Cl,OQRNZXGLTGKSPC-UHFFFAOYSA-N
-rxn:4:203884:222537,CN1CCN(S(=O)(=O)Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)CC1,KSUBSMDMPGLKCY-UHFFFAOYSA-N
-rxn:4:203937:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)c(F)cc2C)CC1,ZFIPNODSUMAENC-UHFFFAOYSA-N
-rxn:4:204038:223753,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)c(C(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,HFWOTFJINFISOW-UHFFFAOYSA-N
-rxn:4:204047:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccccc5)C4=S)cc3)c(F)c2)CC1,KJKXRYDFMDSMON-UHFFFAOYSA-N
-rxn:4:204048:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC4(C)C)cc3)cc2)CC1,KFIXVNTXQAYAFD-UHFFFAOYSA-N
-rxn:4:204050:223755,CC1CCN(CCCOc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2F)CC1,JTIZTUWWVNZYDK-UHFFFAOYSA-N
-rxn:4:204055:226778,COc1cc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)c(F)c(F)c1OC,IUCZDCVOOLLQRW-UHFFFAOYSA-N
-rxn:4:204059:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1OCCCN1CCN(C)CC1,QCISZUMFSMVZSN-UHFFFAOYSA-N
-rxn:4:204078:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(C)cc5)C4)cc3)c2)CC1,BPHSHHZAHSYDTE-UHFFFAOYSA-N
-rxn:4:204123:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3)cc2)CC1,OEORTONXISTZQS-UHFFFAOYSA-N
-rxn:4:204127:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccccc5)C4=S)cc3)cc2)CC1,YBUSHAVXOYVPJH-UHFFFAOYSA-N
-rxn:4:204128:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC45CCCC5)cc3)cc2)CC1,MSCVGGGKYSFDCG-UHFFFAOYSA-N
-rxn:4:204134:223279,O=S(=O)(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCOC2)CC1,XBYBUGXQEMODAK-UHFFFAOYSA-N
-rxn:4:204143:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3)cc2)CC1,GHNPOZACPUPMFT-UHFFFAOYSA-N
-rxn:4:204164:225723,CN(C)CCOc1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1Cl,LRABQYCMSYALOW-UHFFFAOYSA-N
-rxn:4:204173:223845,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,ZQFOKOINOXEEOK-UHFFFAOYSA-N
-rxn:4:204179:222997,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(Cl)cc4C4CCCNC4)cc3C)CC2)cc1C,VLBLEAGOARZVHG-UHFFFAOYSA-N
-rxn:4:204353:223993,CCOC(=O)c1nn2c(c1-c1ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c1)COCC2,ZDWLOODVEIQLNI-UHFFFAOYSA-N
-rxn:4:204403:222589,COCn1ncc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1C12CCCC1O2,HFLXBJSNGZFAFS-UHFFFAOYSA-N
-rxn:4:204596:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(C)C,UVJJWKGOPUTETM-UHFFFAOYSA-N
-rxn:4:204601:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c(F)ccc21,INNFFPXCCXGVEE-UHFFFAOYSA-N
-rxn:4:204680:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)ccc2c1,VPXVNUQLLVREEW-UHFFFAOYSA-N
-rxn:4:204695:228393,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cc(F)cc(F)c2OC)c1,HBUSURZIQAVKIK-UHFFFAOYSA-N
-rxn:4:204740:226844,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,GNRQSDBPISWKMX-UHFFFAOYSA-N
-rxn:4:204757:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,RCCIEFQIEKAUQN-UHFFFAOYSA-N
-rxn:4:204764:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)cc1OCCCN1CCN(C)CC1,RYXRCNDALKCPIX-UHFFFAOYSA-N
-rxn:4:204780:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(N2CC3CCCC3C2)C1,VSTSLFIXSPNILY-UHFFFAOYSA-N
-rxn:4:204795:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4oc(=O)c(C(=O)N5CCN(c6ccccc6F)CC5)cc4c3)c2)CC1,NHLJDNJAJGCTFJ-UHFFFAOYSA-N
-rxn:4:204805:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2)cc1OCCCN1CCN(C)CC1,GTCNJMHUMGSRDA-UHFFFAOYSA-N
-rxn:4:204805:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C=C(C(=O)N5CCOCC5)S(=O)(=O)c5ccccc54)cc3)c(F)c2)CC1,NKDNLMGVPUMKFA-UHFFFAOYSA-N
-rxn:4:204814:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)c4ccccc34)cc2)CC1,SECWIWLPHWHRAB-UHFFFAOYSA-N
-rxn:4:204821:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5ccc(C)cc5)S(=O)(=O)c5ccccc54)c(F)c3)cc2)CC1,FLKYQXSFKJUJRP-UHFFFAOYSA-N
-rxn:4:204825:224612,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2F)c2ccccc2S1(=O)=O,QDZWKUWKOZFGGC-UHFFFAOYSA-N
-rxn:4:204835:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,LGBRGWPHBHAQKY-UHFFFAOYSA-N
-rxn:4:204843:225723,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(OCCN(C)C)c(Cl)c1,DTKWSJSHHNHDOQ-UHFFFAOYSA-N
-rxn:4:204844:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)c4ccccc34)cc2)CC1,URJQOAKCZZJJBF-UHFFFAOYSA-N
-rxn:4:204865:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)c3)cc2)CC1,QBNVRZSXIIQPRK-UHFFFAOYSA-N
-rxn:4:204868:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,BJWUXWMQEAUARR-UHFFFAOYSA-N
-rxn:4:204877:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2C)cc1OCCCN1CCN(C)CC1,WXGWKTCIAUBHOA-UHFFFAOYSA-N
-rxn:4:204877:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,CACPSVLTUANQPY-UHFFFAOYSA-N
-rxn:4:204946:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4C(=O)N(c5ccc(C)cc5)C5(C)CC4c4ccccc4O5)o3)c2)CC1,PLVVBPDTMNAQMX-UHFFFAOYSA-N
-rxn:4:204948:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4C(=O)N(c5ccc(Cl)cc5)C5(C)CC4c4ccccc4O5)cc3)c(F)c2)CC1,UIDLEUBRANMSTL-UHFFFAOYSA-N
-rxn:4:205328:223504,COC(=O)c1nnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1C,YOGYGDYQNZAYEQ-UHFFFAOYSA-N
-rxn:4:205368:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc([N+](=O)[O-])c3S(N)(=O)=O)c(F)cc2C)CC1,HIASYKXBDWTRKM-UHFFFAOYSA-N
-rxn:4:205381:223755,CC1CCN(CCCOc2ccc(-c3cc(S(N)(=O)=O)cc([N+](=O)[O-])c3Cl)cc2F)CC1,CXALASHMEWJJTQ-UHFFFAOYSA-N
-rxn:4:205897:223712,COc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)cc1C12CC3CC(CC(C3)C1)C2,KGXSGVCMKVTWCG-UHFFFAOYSA-N
-rxn:4:206442:223712,COc1ccc(-c2cc(C(=O)N3CCOCC3)c(F)cn2)cc1C12CC3CC(CC(C3)C1)C2,ASAMJVDVKSPPJI-UHFFFAOYSA-N
-rxn:4:206492:223597,COc1nc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cn1C1CCCOC1,UWOUQGNERIMAOS-UHFFFAOYSA-N
-rxn:4:206693:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(CN4CCC(F)(F)CC4)cn3)c2)CC1,FGUBVXLWRFFPNJ-UHFFFAOYSA-N
-rxn:4:206847:223712,COc1ccc(-c2ccc(C3CCN(C(C)=O)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,CBOKEKCZTBVCNN-UHFFFAOYSA-N
-rxn:4:206858:223895,CCN1CCN(CCOc2ccc(-c3ccc(C#N)c(N4CCCC(C)C4)c3)cc2)CC1,KWPYZJHLPZBSMX-UHFFFAOYSA-N
-rxn:4:206926:223694,CCN1CCN(c2cc(Cl)cc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)c2)CC1,YLMICZNJKVIECK-UHFFFAOYSA-N
-rxn:4:206964:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)c2)CC1,LJMFTAYNKKJUBU-UHFFFAOYSA-N
-rxn:4:206980:223895,CCN1CCN(CCOc2ccc(-c3ccc(F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,VQPSNKRSYCROEC-UHFFFAOYSA-N
-rxn:4:207157:223497,COC(=O)c1cc2c(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cccn2n1,VLEFBZGSESDMCY-UHFFFAOYSA-N
-rxn:4:207198:223504,COC(=O)c1c[nH]c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cnc12,XWDWXIJQEYTRME-UHFFFAOYSA-N
-rxn:4:207460:222466,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1C12CCCOC1O2,LZCVWWZGYASCQE-UHFFFAOYSA-N
-rxn:4:207729:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C#N)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,YNQPUHFSBUUTSQ-UHFFFAOYSA-N
-rxn:4:207784:223753,Cc1ccc(-c2ccc3c(c2)CN(C(C)c2ccncc2)C(=O)CO3)cc1OCCCN1CCN(C)CC1,WHGBAEIUVCYERI-UHFFFAOYSA-N
-rxn:4:207812:223895,CCN1CCN(CCOc2ccc(-c3ccc4[nH]cc(C5=CCN(C(C)C)CC5)c4c3)cc2)CC1,LJPHRDZVMGBMRA-UHFFFAOYSA-N
-rxn:4:207826:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)N(c5ccccc5Cl)C5CS(=O)(=O)CC54)cc3)cc2)CC1,YSIRGJWRUFEBKZ-UHFFFAOYSA-N
-rxn:4:207830:225849,CN1C(=O)C(=C2SC(=O)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(N4CCCCC4)cc3F)ccc21,VMYCYUROOORTQP-UHFFFAOYSA-N
-rxn:4:207832:224612,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)C2=O)c2ccccc21,OJMVGQOWKLEALK-UHFFFAOYSA-N
-rxn:4:207856:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,RQGQYNVMWIOIAX-UHFFFAOYSA-N
-rxn:4:207856:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,WKOHSJHOVJCZEE-UHFFFAOYSA-N
-rxn:4:207943:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C4=O)cc3)cc2)CC1,AJZGDNJDMPFDOG-UHFFFAOYSA-N
-rxn:4:207943:224612,O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,ZORAQKZUZDGQRS-UHFFFAOYSA-N
-rxn:4:207956:223831,COc1ccc(-c2cccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3c3cccc(C)n3)c2)cc1S(=O)(=O)N1CCC(C)CC1,OWFUGTBQNQBFFE-UHFFFAOYSA-N
-rxn:4:207959:224612,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCOCC5)cc4)ccc2OC3C2CCCCC2)cc1,OVZBKPWIPNXYKF-UHFFFAOYSA-N
-rxn:4:211059:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)CS(=O)(=O)C45C(=O)N(C)c4ccccc45)cc3)cc2)CC1,HTRIPZVHFHAJJN-UHFFFAOYSA-N
-rxn:4:211059:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C(=O)CS(=O)(=O)C45C(=O)N(C)c4ccccc45)cc3)c(F)c2)CC1,FKKGDSBMLGXNIN-UHFFFAOYSA-N
-rxn:4:211068:222540,N#CC1=C2CCCN2c2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2S1(=O)=O,SLOQRKBXSJEKOW-UHFFFAOYSA-N
-rxn:4:211089:224170,N#CC1=C2CCCCCN2c2cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)ccc2S1(=O)=O,HEMNTLJHNJMCME-UHFFFAOYSA-N
-rxn:4:212558:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1,RKMRSOYAISPJAC-UHFFFAOYSA-N
-rxn:4:212564:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)c3)cc2)CC1,SYSXFVJZFYVSFA-UHFFFAOYSA-N
-rxn:4:212568:222540,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,GWPOSKVDVJCHLG-UHFFFAOYSA-N
-rxn:4:212568:222632,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,DKXVLROFTYTSJT-UHFFFAOYSA-N
-rxn:4:212581:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1,VJMLCUXWXFLETH-UHFFFAOYSA-N
-rxn:4:212593:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,AZOKMGYMLDCZCX-UHFFFAOYSA-N
-rxn:4:212594:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c1,FIQJTIOOCDATAC-UHFFFAOYSA-N
-rxn:4:212595:222540,N#CCCN1CCN(C(=S)c2ccc(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)o2)CC1,RFIKVRYIJUSHOM-UHFFFAOYSA-N
-rxn:4:212610:222540,CCn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,ZUFZXLXIOHLXBZ-UHFFFAOYSA-N
-rxn:4:212616:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)c1,ZJJRZMSXXJATLR-UHFFFAOYSA-N
-rxn:4:212650:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)cc2F)CC1,AJEIDOLVNZHTLT-UHFFFAOYSA-N
-rxn:4:212654:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4CC)cc3)c2)CC1,KRIXEINHNUPSQP-UHFFFAOYSA-N
-rxn:4:212656:223239,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cncc(C3CCCN3)c2)c1,VPBNKBHAEJQBTQ-UHFFFAOYSA-N
-rxn:4:212685:223655,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncccc45)cc3)CC2)c([N+](=O)[O-])c1,YEGHNYGVJAKQDO-UHFFFAOYSA-N
-rxn:4:212690:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,ZANDVUPLCKPZRZ-UHFFFAOYSA-N
-rxn:4:212691:223592,CN(C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,DCXRGOUSIMQCLV-UHFFFAOYSA-N
-rxn:4:212691:223818,CN(C(=O)c1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,WIJGCAOUBKHVJD-UHFFFAOYSA-N
-rxn:4:212692:226079,CC(C)c1ccc2sc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2c1,VMNJDPBDDNGAPP-UHFFFAOYSA-N
-rxn:4:212694:226844,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C1=O,PSUXFCPEPJRFQO-UHFFFAOYSA-N
-rxn:4:212695:224198,CCN1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)c(F)c2)CC1,VCCLVCJZOXACNX-UHFFFAOYSA-N
-rxn:4:212704:223279,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnc(C3CCCN3)nc2)n1,LXNRCUOQZNTBIQ-UHFFFAOYSA-N
-rxn:4:212708:222540,COc1ccc(C2=NN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,SQWOBDSMCBUKQI-UHFFFAOYSA-N
-rxn:4:212708:222684,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,MDKWDPBJFPTZIL-UHFFFAOYSA-N
-rxn:4:212720:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,UFEMNFDWUKKWII-UHFFFAOYSA-N
-rxn:4:212730:224991,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CC6)nc(N6CCCC6)c5)cc4)C3)n2)c(OC)c1,PVKOGABVKBYNHG-UHFFFAOYSA-N
-rxn:4:212736:222632,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2N2CCCC2)CC1,TVBCNWVSFMMJAR-UHFFFAOYSA-N
-rxn:4:212738:223494,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2N2CCOCC2)CC1,TUKHCVFZWJCFHF-UHFFFAOYSA-N
-rxn:4:212745:223239,CC1CN(c2cc(CN3CCOCC3)cc(-c3cncc(C4CCCN4)c3)c2)CCN1C(=O)OC(C)(C)C,AJYYTDQAOPCTGJ-UHFFFAOYSA-N
-rxn:4:212746:223239,CC1CN(Cc2ccc(-c3cncc(C4CCCN4)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WCBFNVBIYPEEMV-UHFFFAOYSA-N
-rxn:4:212780:222540,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,DYGBPQZMMKTBKP-UHFFFAOYSA-N
-rxn:4:212784:222540,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cccc(C(=O)NCCN5CCCCC5)c4)ccc32)CC1,JAXSUVBJHCWCOI-UHFFFAOYSA-N
-rxn:4:212785:222540,COCCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,USBOEGCDXDCKAZ-UHFFFAOYSA-N
-rxn:4:212785:222632,COCCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,SZMIOMVNDBMTLI-UHFFFAOYSA-N
-rxn:4:212814:226070,CC(C)n1ccc2cc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)ccc21,DGUSIZVBYBMRQZ-UHFFFAOYSA-N
-rxn:4:212908:225220,CCOC(=O)N1CCCC(Oc2ncc(-c3cnc(N4CCCCC4C)c(Cl)c3)cn2)C1,ZQSZXBBPWPXZLZ-UHFFFAOYSA-N
-rxn:4:212931:223753,COc1cncc(OC2CCN(C(=O)c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)o3)C2)n1,MDHQOTIFGYONGU-UHFFFAOYSA-N
-rxn:4:212972:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(-c3ccc(SCC(=O)N4CCCC4)nn3)cc2)c1,NGLGQHZYAMAKQU-UHFFFAOYSA-N
-rxn:4:212989:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)s2)CC1,QFYHIIDLANWJFX-UHFFFAOYSA-N
-rxn:4:213015:222632,Cn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,ZUBILZOMXASMNR-UHFFFAOYSA-N
-rxn:4:213040:225723,Cc1nc(-c2ccc(OCCN(C)C)c(Cl)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,VBYDEGFEJBHNJQ-UHFFFAOYSA-N
-rxn:4:213042:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,OQVQRSPILCOWNW-UHFFFAOYSA-N
-rxn:4:213050:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCC4)nn3)cc2)c1,PMROCDWYOPBBAJ-UHFFFAOYSA-N
-rxn:4:213060:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccco5)cs4)CC3)o2)c1,ZXXDJHRVILVZGT-UHFFFAOYSA-N
-rxn:4:213065:225748,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3ccncc3OCC3CCCO3)cn2)C1,IURJTLXVCVLHHL-UHFFFAOYSA-N
-rxn:4:213066:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)cc1OCCCN1CCN(C)CC1,KYIUKWSDYIVZDZ-UHFFFAOYSA-N
-rxn:4:213067:222540,Cc1nn(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,IKORMWCSFHHNAL-UHFFFAOYSA-N
-rxn:4:213080:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,CWQHRVSJQBNHMG-UHFFFAOYSA-N
-rxn:4:213091:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCC(COc4cnccn4)CC3)cc2)c1,QJHGLXNWYSEDCH-UHFFFAOYSA-N
-rxn:4:213094:223279,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cnc(C3CCCN3)nc2)CC1,PVTJSVKQVRXYJD-UHFFFAOYSA-N
-rxn:4:213094:226844,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,CSRBVCXKXVKMJT-UHFFFAOYSA-N
-rxn:4:213106:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,SHMCXIPQXKIENJ-UHFFFAOYSA-N
-rxn:4:213123:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,CFACRRHDSOZQCI-UHFFFAOYSA-N
-rxn:4:213125:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,OPBFUFNSMOJRKO-UHFFFAOYSA-N
-rxn:4:213138:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cnc2F)CC1,BWXVZQSDUKIDKP-UHFFFAOYSA-N
-rxn:4:213145:222540,Cn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cnc1SCC(=O)N1CCCCC1,VEHGEVOEDJMFDC-UHFFFAOYSA-N
-rxn:4:213147:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ZEARYLFGDQVGGA-UHFFFAOYSA-N
-rxn:4:213150:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,GDQYFCTTWQGNAL-UHFFFAOYSA-N
-rxn:4:213172:222540,Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,CEUOAQFPVWEFFH-UHFFFAOYSA-N
-rxn:4:213172:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(CSc5nccn5C)CC4)cc3)ccc2F)CC1,PDIUMRXMKXNTOJ-UHFFFAOYSA-N
-rxn:4:213187:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccc(F)cc6)cs5)CC4)o3)c2)CC1,KEUZVRRGIKHRGT-UHFFFAOYSA-N
-rxn:4:213211:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(C(=O)c5ccccc5)C(c5ccc([N+](=O)[O-])cc5)C4)cc3)c2)CC1,BGONILFVVXJFDY-UHFFFAOYSA-N
-rxn:4:213213:225294,CCN1CCN(c2ncc(-c3cccc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,MQKYZFYYHSXEFK-UHFFFAOYSA-N
-rxn:4:213214:224198,CCN1CCN(Cc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)c(F)c2)CC1,DHQZOHTVVKINNN-UHFFFAOYSA-N
-rxn:4:213242:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)c2)CC1,ZLOGKTNMYDKXTA-UHFFFAOYSA-N
-rxn:4:213242:224612,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,OIOPBZFVQXAHPW-UHFFFAOYSA-N
-rxn:4:213262:222540,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)cc1,YQCMKYNQNSPLMM-UHFFFAOYSA-N
-rxn:4:213265:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)cc2)CC1,XLKWQGCPWIYBJC-UHFFFAOYSA-N
-rxn:4:213267:223279,CC(C)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,ZCUQMFBHHIGIMA-UHFFFAOYSA-N
-rxn:4:213272:223755,CC1CCN(CCCOc2ccc(-c3ccc(OC4CCN(C(=O)c5ccc(N6CCOCC6)cc5)C4)nc3)cc2F)CC1,IITGNDCSEZHZCK-UHFFFAOYSA-N
-rxn:4:213272:226844,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,BLBDIMQIDHBKDW-UHFFFAOYSA-N
-rxn:4:213280:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,FRXNJWMCEHTOIK-UHFFFAOYSA-N
-rxn:4:213282:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(Oc2ccncc2)CC1,FNNCWVMKSACCGD-UHFFFAOYSA-N
-rxn:4:213289:223279,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cnc(C3CCCN3)nc2)CC1,JIDWLGGVJYYKDP-UHFFFAOYSA-N
-rxn:4:213302:222540,C#CCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)sc2cc([N+](=O)[O-])ccc21,UTUKJWYJGSGPHB-UHFFFAOYSA-N
-rxn:4:213315:222540,C#CCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,IOLQABYVBLVCDE-UHFFFAOYSA-N
-rxn:4:213324:222540,C#CCn1c(=NC(=O)c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,BKTHTBWWEPPPPM-UHFFFAOYSA-N
-rxn:4:213324:223753,C#CCn1c(=NC(=O)c2cccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,BZCITQULUQQTKU-UHFFFAOYSA-N
-rxn:4:213387:226844,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,UMSVGGCRTOAEKL-UHFFFAOYSA-N
-rxn:4:213412:222540,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3nn2C)CC1,DUVYANCSXQTKOE-UHFFFAOYSA-N
-rxn:4:213415:223895,CCN1CCN(CCOc2ccc(-c3ccc(-n4c(SCC(=O)N5CCCCCC5)nc5c(c4=O)SCC5)cc3)cc2)CC1,QTOSBKNBOSERLF-UHFFFAOYSA-N
-rxn:4:213423:224198,CCN1CCN(Cc2ccc(-c3ccc(N4CC(c5nc6ccccc6n5CCC(C)C)CC4=O)cc3)c(F)c2)CC1,RYZNPHFVZOYRBC-UHFFFAOYSA-N
-rxn:4:213458:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,WGNSCKJZVFALCE-CKOYEXALSA-N
-rxn:4:213481:226844,COC12CC(COC(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LTBJHCZAELZKLS-UHFFFAOYSA-N
-rxn:4:213570:223753,Cc1ccc(-c2cnn(CCC(=O)N3CCCC3)c2)cc1OCCCN1CCN(C)CC1,ZRIXTFCKPPUYLJ-UHFFFAOYSA-N
-rxn:4:213657:222913,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cn2)CO1,PNVPVGSPSCIDAR-GOSISDBHSA-N
-rxn:4:213679:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(S(=O)(=O)c5ccc(Cl)cc5)C4)c3)cc2)CC1,KDXZVFGWRUMTKB-UHFFFAOYSA-N
-rxn:4:213705:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCC(Oc4ccncc4Cl)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,IUCCEOSQEGYUHW-UHFFFAOYSA-N
-rxn:4:213786:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CC(S(=O)(=O)c4nccn4C)C3)c(F)c2)CC1,XHZYTIXOXGIVDL-UHFFFAOYSA-N
-rxn:4:213787:223755,COc1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)o3)CC2=O)ccn1,HEFXWUXQJFUJNE-UHFFFAOYSA-N
-rxn:4:213788:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)c3)cc2)CC1,IJDYWLNBKZFXHO-UHFFFAOYSA-N
-rxn:4:213791:223755,CC1CCN(CCCOc2ccc(-c3cccc(-c4cc(C(F)(F)F)nn4-c4ccc(S(N)(=O)=O)cc4)c3)cc2F)CC1,CNGHVGPHAQMKPI-UHFFFAOYSA-N
-rxn:4:213793:222540,Cc1c(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,HCEFWUAGQYLZDH-UHFFFAOYSA-N
-rxn:4:213798:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1F,LPPJFVRKHCZWNW-UHFFFAOYSA-N
-rxn:4:213820:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(Oc5ncccc5Cl)CC4)c3)cc2)CC1,BVIXVXKOAPZEOU-UHFFFAOYSA-N
-rxn:4:213876:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,COOWKIJKEOMDQQ-UHFFFAOYSA-N
-rxn:4:213880:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IFOCMORLQJCOHP-UHFFFAOYSA-N
-rxn:4:213882:226844,O=C(c1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)ccn1)C(F)(F)F,HYYABQZPEUUUSW-UHFFFAOYSA-N
-rxn:4:213890:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)c1,AYLYUUJFACGYSE-UHFFFAOYSA-N
-rxn:4:213909:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(Cc5cnoc5C)CC4)c3)cc2)CC1,VARHTWIPUHZSPD-UHFFFAOYSA-N
-rxn:4:213920:223895,CCN1CCN(CCOc2ccc(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)cc2)CC1,GAOCGIOCINGPAM-UHFFFAOYSA-N
-rxn:4:213924:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)CC3)cc2)CC1,WDZXEVCFIPOTPA-UHFFFAOYSA-N
-rxn:4:213925:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCCCC5)n4)cc3)cc2)CC1,OKZJJZOFADQAIA-UHFFFAOYSA-N
-rxn:4:213940:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,VAQIFPVCYFJXEB-UHFFFAOYSA-N
-rxn:4:213944:223074,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cccc(NS(=O)(=O)C3CC3)c2)[nH]1,VORBUGUQFGIGJY-UHFFFAOYSA-N
-rxn:4:213947:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1,OKZDUQXAEDHQJB-UHFFFAOYSA-N
-rxn:4:213988:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,HDIRHUIOBSPSNN-UHFFFAOYSA-N
-rxn:4:213989:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C5CCOCC5)C4)nc3)ccc2F)CC1,YRUQOXLQDIDXMP-UHFFFAOYSA-N
-rxn:4:213989:226844,O=C(c1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccn1)C(F)(F)F,NFLVAZQAVSFHSZ-UHFFFAOYSA-N
-rxn:4:213992:226619,Cc1nc(N2CCCC2)ncc1-c1cnc(OC2CCN(CC3CCOCC3)CC2)nc1,HVSQETLCJQLOEH-UHFFFAOYSA-N
-rxn:4:214005:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,LHAFJKAQGBDQLO-UHFFFAOYSA-N
-rxn:4:214033:227960,CC(C)[C@H]1COC(c2cc(-c3ccncc3C3CCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YRCINGXDJFHVAE-DNQXCXABSA-N
-rxn:4:214035:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)cc1OCCCN1CCN(C)CC1,BIUDUQJCKSWJEP-UHFFFAOYSA-N
-rxn:4:214046:223556,C[C@@H]1CN(c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,BIGDCRUHYWUJDA-FCHUYYIVSA-N
-rxn:4:214046:226308,CCc1cc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)ccc1C(=O)OC,ZCSQDTOIJDZPQW-ZWKOTPCHSA-N
-rxn:4:214054:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cc2)CC1,MFVLCUUSKMZFCK-UHFFFAOYSA-N
-rxn:4:214056:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3-c3ccc(C=C4SC(N5CCN(C(C)=O)CC5)=NC4=O)o3)c2)CC1,DZWHVOBAQKZDOU-UHFFFAOYSA-N
-rxn:4:214059:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)c2Cl)CC1,BHNFOIFJKBQNCW-UHFFFAOYSA-N
-rxn:4:214065:224612,Cc1nn(C(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,SQIDLXIQZXXDRG-UHFFFAOYSA-N
-rxn:4:214071:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)c1,FPYJTLYJHMTBIP-UHFFFAOYSA-N
-rxn:4:214079:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LGTXDSMDEFNRRX-UHFFFAOYSA-N
-rxn:4:214080:224612,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)CC2)n1,FREPSAJIJMWBLY-UHFFFAOYSA-N
-rxn:4:214086:223170,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCNC4)nc3)cc2N2CCCCC2)CC1,SXKOUYSZZDJYQK-UHFFFAOYSA-N
-rxn:4:214159:223895,CCN1CCN(CCOc2ccc(-c3cccc(CSc4nc5c(cc4C#N)CN(C)CC5)c3)cc2)CC1,ZGCBEUKDYKJTON-UHFFFAOYSA-N
-rxn:4:214160:223753,Cc1ccc(-c2ccccc2CSc2nc3c(cc2C#N)CN(C)CC3)cc1OCCCN1CCN(C)CC1,SVZGKSDZIPBUCL-UHFFFAOYSA-N
-rxn:4:214191:224967,COC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(C(C)=O)CC4)c3c2)cc(C(C)(C)C)c1,SQYYPKZCLTXJDN-UHFFFAOYSA-N
-rxn:4:214201:225723,CN(C)CCOc1ccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1Cl,RQSRGDYVESQYJY-UHFFFAOYSA-N
-rxn:4:214203:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)cc1,RFQVRDSCBLNERL-UHFFFAOYSA-N
-rxn:4:214205:223753,C#CCn1c(C2CC(=O)N(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)C2)nc2ccccc21,RFLUIZCJXOHQQY-UHFFFAOYSA-N
-rxn:4:214234:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,XTBAIUMKADUSHQ-UHFFFAOYSA-N
-rxn:4:214235:223755,CC1CCN(CCCOc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(n4ccnc4)C5)cc3)cc2F)CC1,CMYYJHYGBVGAPQ-UHFFFAOYSA-N
-rxn:4:214281:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(c5ccccc5)CC4)c3)ccc2F)CC1,CRBJURQYQGVPFU-UHFFFAOYSA-N
-rxn:4:214292:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)cc1,XWZZNSURTIOKOI-ROKPMTFOSA-N
-rxn:4:214320:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,HCUKUHSZNKCRMH-UHFFFAOYSA-N
-rxn:4:214342:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5cc(C)nc6ccccc56)CC4)cc3)c2)CC1,YMEQQGVXDVAWFX-UHFFFAOYSA-N
-rxn:4:214347:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCCC5)cc3)n4C)cc2)CC1,MIULTCHGZZJFAE-UHFFFAOYSA-N
-rxn:4:214352:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCc6ccccc65)cc3)n4C)ccc2F)CC1,OCLKXOGKZZDONC-UHFFFAOYSA-N
-rxn:4:214362:223755,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,GDIOFYBVUPWKIU-UHFFFAOYSA-N
-rxn:4:214710:223895,CCN1CCN(CCOc2ccc(-c3cncc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,FYHAOXUBRLQGJB-UHFFFAOYSA-N
-rxn:4:214711:224704,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cn2)CC1,NJAUDKGDBXWSLV-UHFFFAOYSA-N
-rxn:4:214711:224782,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,QCBFRADSALISJV-UHFFFAOYSA-N
-rxn:4:214718:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3Cl)c2)CC1,NYHUIAZRQNIOCG-UHFFFAOYSA-N
-rxn:4:214753:224198,CCN1CCN(Cc2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(F)c2)CC1,DRYTUXCWTJITQQ-UHFFFAOYSA-N
-rxn:4:214777:223753,Cc1ccc(-c2cc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])cc2F)cc1OCCCN1CCN(C)CC1,MCLCQXUVKYQHEH-UHFFFAOYSA-N
-rxn:4:214810:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4CCN(Cc5coc(C)n5)CC4)c3)c(F)cc2C)CC1,JTQRJQHUESKKFV-UHFFFAOYSA-N
-rxn:4:214862:225748,O=C(c1cncc(-c2ccncc2OCC2CCCO2)c1)N1CCCN(C2CCSC2)CC1,TZLSJUXRPBCNID-UHFFFAOYSA-N
-rxn:4:214895:224612,Cc1c(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C,KVKTZXSXAMPGAT-UHFFFAOYSA-N
-rxn:4:215061:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c1,SZIBYFWCDIARNR-UHFFFAOYSA-N
-rxn:4:215096:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)c1,JJYOUPLWTCSRGG-UHFFFAOYSA-N
-rxn:4:215172:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CC(n4c(C)nc5ccccc54)C3)cc2)cc1OCCCN1CCN(C)CC1,FUSFZHVVCXOYLU-UHFFFAOYSA-N
-rxn:4:215181:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Oc4nc5ccccn5c(=O)c4C=C4SC(=S)N(C)C4=O)cc3)c2)CC1,VIFBMMWVPCETQC-UHFFFAOYSA-N
-rxn:4:215195:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4Cn5nc(C(=O)N6CCOCC6)cc5CO4)cc3)c2)CC1,OAGIRNVCKHVJTD-UHFFFAOYSA-N
-rxn:4:215219:226844,O=C(C1CN(c2ccc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3n2)CCO1)N1CCOCC1,LDVBZJASVMXFPL-UHFFFAOYSA-N
-rxn:4:215232:225723,CN(C)CCOc1ccc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)cc1Cl,HNLJPOOALRQNSE-UHFFFAOYSA-N
-rxn:4:215262:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C(c3cccc([N+](=O)[O-])c3)O4)c(F)c2)CC1,IIDFEFMMGAIBMY-UHFFFAOYSA-N
-rxn:4:215663:223753,Cc1ccc(-c2csc(N3CCC(C#N)CC3)n2)cc1OCCCN1CCN(C)CC1,GSXRPQYOTONXOD-UHFFFAOYSA-N
-rxn:4:215860:223895,CCN1CCN(CCOc2ccc(-c3cc(C#N)cc(N4CCN(C)CC4)c3)cc2)CC1,UKGCASXOGKONMM-UHFFFAOYSA-N
-rxn:4:215875:223712,COc1ccc(-c2cc(N3CCCC3)nc(C(C)C)n2)cc1C12CC3CC(CC(C3)C1)C2,OGTBLRVIOFENDV-UHFFFAOYSA-N
-rxn:4:215904:223952,CN1CCN(CCOc2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2Cl)CC1,GRRVIILHXCVRNT-UHFFFAOYSA-N
-rxn:4:215912:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cn2)CC1,QTYPXFFWONHRHH-UHFFFAOYSA-N
-rxn:4:215987:223755,CC1CCN(CCCOc2ccc(-c3nc(N4CCCCC4C)cc(C(C)(C)C)n3)cc2F)CC1,GDTUPUGQOSQTEI-UHFFFAOYSA-N
-rxn:4:216319:225446,Cc1cc(OC2CCCC2)cc(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,FCTJCRLOGUCUJB-UHFFFAOYSA-N
-rxn:4:216889:223504,CC(C)c1nnn(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,LFXCGLSSGOVHTC-UHFFFAOYSA-N
-rxn:4:217156:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(C)C(=O)C3)n2)CC1,FLPKKHPUONWINY-UHFFFAOYSA-N
-rxn:4:217159:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccnc(N4CCN(C)CC4)c3)c2)CC1,XWUNAQICRPMYBD-UHFFFAOYSA-N
-rxn:4:217206:223493,Cc1cc(N2CCC(C)CC2)nc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)n1,RPQUQCQGCMWKHY-UHFFFAOYSA-N
-rxn:4:217214:223844,Cc1nc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,WAAPPTAPZTYIJE-UHFFFAOYSA-N
-rxn:4:217865:223474,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,CSWYZRLALSBGEV-UHFFFAOYSA-N
-rxn:4:217907:224612,CN1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCOCC4)cc3)cc1C1CC(c3ccc(Cl)cc3)=NN12,GOOSOIHCRPWOTC-UHFFFAOYSA-N
-rxn:4:218579:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCc4nc(C#N)c(N5CCN(CC)CC5)o4)cc3)c2)CC1,PTOAIIWGYQVKIC-UHFFFAOYSA-N
-rxn:4:218699:226844,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)ccc2C#N)CC1,LSYXDWGLPNTPAQ-UHFFFAOYSA-N
-rxn:4:218700:225723,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,XXQFEYODQNRHLD-UHFFFAOYSA-N
-rxn:4:218710:226366,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N5CCCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RSGIVOIKBOPGCN-UHFFFAOYSA-N
-rxn:4:218745:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)c(F)c2)CC1,BDPCPMSNMILXEH-UHFFFAOYSA-N
-rxn:4:218773:226844,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2)N1CCN(c2ccccc2)CC1,QVDKQCPSXMOGNE-UHFFFAOYSA-N
-rxn:4:218777:223279,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,VEUTULHULLGCEW-UHFFFAOYSA-N
-rxn:4:218822:223753,Cc1ccc(-c2ccc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)o2)cc1OCCCN1CCN(C)CC1,CVVSNBMOBCPTPL-UHFFFAOYSA-N
-rxn:4:218875:223753,Cc1ccc(-c2ccc(OCc3nc(C#N)c(N4CCN(C)CC4)o3)cc2)cc1OCCCN1CCN(C)CC1,WXWLVPASAHMWJV-UHFFFAOYSA-N
-rxn:4:218875:224198,CCN1CCN(Cc2ccc(-c3ccc(OCc4nc(C#N)c(N5CCN(C)CC5)o4)cc3)c(F)c2)CC1,MMNCRDKBXSEYNX-UHFFFAOYSA-N
-rxn:4:218879:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc1OCCCN1CCN(C)CC1,WNKRPTDOSAZKMY-UHFFFAOYSA-N
-rxn:4:218890:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)c2)CC1,BTCFGYMTOQPAFF-UHFFFAOYSA-N
-rxn:4:218950:224198,CCN1CCN(Cc2ccc(-c3ccccc3CC(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c(F)c2)CC1,TYJCVOHRRJSIJG-UHFFFAOYSA-N
-rxn:4:218991:223761,Cn1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,JUGGFLMMSVLROZ-UHFFFAOYSA-N
-rxn:4:218991:227528,COC(=O)c1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,OTPNQOPHKYTWPT-UHFFFAOYSA-N
-rxn:4:219001:225959,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(-n4cnc(C)c4)c(Cl)c3)C2)C(=O)C1=O,GTJWKWXIXHJNKR-UHFFFAOYSA-N
-rxn:4:219001:225973,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(Cl)c(-n4cnc(C)c4)c3)C2)C(=O)C1=O,UCSLIDAQKOWSFK-UHFFFAOYSA-N
-rxn:4:219028:226844,CC1CN(C(=O)c2cnn(C)c2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,VUYCHZZGRAIQEQ-UHFFFAOYSA-N
-rxn:4:219048:224612,O=S(=O)(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1,LDLZOTDBLVUTHM-UHFFFAOYSA-N
-rxn:4:219049:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5cc(-c6ccc(OC)cc6)ncn5)CC4)o3)cc2)CC1,UWHQSYRYWBYNFM-UHFFFAOYSA-N
-rxn:4:219066:223279,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,YJBFOTOGNVVGDM-UHFFFAOYSA-N
-rxn:4:219119:223074,CC(=O)C(C)n1c(-c2cccc(NS(=O)(=O)C3CC3)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,FUWXJDTXYTZSTN-UHFFFAOYSA-N
-rxn:4:219130:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,FRWHIZRNXOFIRJ-UHFFFAOYSA-N
-rxn:4:219184:225723,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc2)OC3)CC1,XRQVFKLPMYPIOB-UHFFFAOYSA-N
-rxn:4:219207:223239,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cncc(C5CCCN5)c4)cc3)cs2)CC1,BKMHJECVIRCLHQ-UHFFFAOYSA-N
-rxn:4:219225:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)c(F)cc2C)CC1,CWVCPCRLQOCJAF-UHFFFAOYSA-N
-rxn:4:219257:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)o3)ccc2F)CC1,PYESDILOBLFUDX-UHFFFAOYSA-N
-rxn:4:219271:226844,O=C(c1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)ccn1)C(F)(F)F,WHDKVXVRIXFBQR-UHFFFAOYSA-N
-rxn:4:219371:225560,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cccc(COC3CCOC3)c2)CC1,IDVWBKLZRHJCRK-UHFFFAOYSA-N
-rxn:4:219373:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,AJBQQOMBLYJRFV-UHFFFAOYSA-N
-rxn:4:219410:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)c2)CC1,JILQZLFOVIYATA-UHFFFAOYSA-N
-rxn:4:219437:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5ccccc5OC)CC4)c(C#N)c3)c(F)c2)CC1,FHCONADCDUGGDY-UHFFFAOYSA-N
-rxn:4:219478:224198,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(S(=O)(=O)c5nncn5C)CC4)c3)c(F)c2)CC1,DDVMPIXVGXKNFC-UHFFFAOYSA-N
-rxn:4:219479:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cc2)CC1,ZLDAVXMVYIKIEO-UHFFFAOYSA-N
-rxn:4:219492:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)c3)cc2)CC1,UDQVOCNYOIBJFG-UHFFFAOYSA-N
-rxn:4:219534:225361,O=C(c1cncc(-c2cn(C3CCCC3)nc2C(F)(F)F)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,NMZPFXNJPIRHKU-UHFFFAOYSA-N
-rxn:4:219544:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccoc6)CC5)[nH]n4)cc3)cc2F)CC1,WZHBRTZLBWGOJQ-UHFFFAOYSA-N
-rxn:4:219623:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nsnc56)CC4)o3)cc2)CC1,IAQIYRRPNWBXLG-UHFFFAOYSA-N
-rxn:4:219650:224612,COc1ccc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)cc1-c1ccc(OCCN2CCOCC2)cc1,MSKLQQSJUWIXDE-UHFFFAOYSA-N
-rxn:4:219676:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(Oc5cnc6ccccc6n5)CC4)c3)cc2)CC1,LYBXHTDDHMPNLT-UHFFFAOYSA-N
-rxn:4:219696:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6n5C)CC4)o3)c2)CC1,PMFIPWWDEQQRLR-UHFFFAOYSA-N
-rxn:4:219697:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)cc2)cc1,GMIMFCWIGAODNH-UHFFFAOYSA-N
-rxn:4:219939:223895,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCN(c4ccnc(OC)c4)C(=O)C3)cc2)CC1,FIRNHHIUKQNOKS-UHFFFAOYSA-N
-rxn:4:219963:223755,Cc1cncnc1N1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)CC1,RWSIWAHWJUVFJW-UHFFFAOYSA-N
-rxn:4:219984:223755,CCc1cc(N2CCN(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)ncn1,AEGRNFSOXBXORY-UHFFFAOYSA-N
-rxn:4:220120:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3C4CCC3CC(n3ccnn3)C4)cc2)c1,QCNDYQDTGDVAOP-UHFFFAOYSA-N
-rxn:4:220131:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)c(C#N)c3)cc2)CC1,UQNMGRAUEOUARD-UHFFFAOYSA-N
-rxn:4:220137:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)c1,QVPCPCFRVQYBMR-UHFFFAOYSA-N
-rxn:4:220141:222540,Cn1nc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,LQSHGQDOMRBYLH-UHFFFAOYSA-N
-rxn:4:220141:226844,Cn1nc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,SOKUKOJRIGGJGB-UHFFFAOYSA-N
-rxn:4:220149:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)c2)CC1,BOEDUYNHNYDBDP-UHFFFAOYSA-N
-rxn:4:220158:223755,CC1CCN(CCCOc2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)cc2F)CC1,PENMDAJYXXGTEH-UHFFFAOYSA-N
-rxn:4:220162:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,NXQPSQPJMXZYPF-UHFFFAOYSA-N
-rxn:4:220221:222540,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc2)OC3)CC1,WHGFKAIWQOYZMP-UHFFFAOYSA-N
-rxn:4:220223:223753,Cc1ccc(-c2ccc(C3Cn4nnc(C(=O)N5CCC(C)CC5)c4CO3)cc2)cc1OCCCN1CCN(C)CC1,OGPXRVQYEGMRCK-UHFFFAOYSA-N
-rxn:4:220426:224960,COc1ccc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc1OC1CCCC1,RBOFYSLUWUFHHT-UHFFFAOYSA-N
-rxn:4:220427:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(N5CCN(C)CC5)nn4)cc3)c(F)cc2C)CC1,WPNNWYYUHQPUDJ-UHFFFAOYSA-N
-rxn:4:220429:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(F)c2)CC1,YOOOEFSZRSDGEG-UHFFFAOYSA-N
-rxn:4:220430:222743,CC(c1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc1)N1CCC(O)CC1,PTFXFJVTHSIOCH-UHFFFAOYSA-N
-rxn:4:220533:224704,CC1CCN(c2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc(F)c2F)CC1,CIQKIPYYYPRFJU-UHFFFAOYSA-N
-rxn:4:220540:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4N=NC5C(=O)N(c6cc(C)cc(C)c6)C(=O)C54)cc3)cc2)CC1,NLGFIIKUWTXHJX-UHFFFAOYSA-N
-rxn:4:221108:224612,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)c(=O)c1C,LYSCVMMBQNJLGM-UHFFFAOYSA-N
-rxn:4:221114:223062,CCOc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XSGXAPGQEOFSMO-UHFFFAOYSA-N
-rxn:4:221114:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CGQWQMCPMPWTRR-UHFFFAOYSA-N
-rxn:4:221116:228472,CCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,HCZYQTIEIJJVHQ-UHFFFAOYSA-N
-rxn:4:221121:224822,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6cncs6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,PGCJTKAYOZFFMR-UHFFFAOYSA-N
-rxn:4:221127:222540,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)nnn3c3ccsc23)CC1,FAQQOPXWBYUWGC-UHFFFAOYSA-N
-rxn:4:221128:222540,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)nnn3c3ccccc23)C1,JMNJUNVQXPDWFX-UHFFFAOYSA-N
-rxn:4:221129:222540,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)nnn3c3ccccc23)CC1,USUYVFYBVOYBCX-UHFFFAOYSA-N
-rxn:4:221144:223753,Cc1ccc(-c2cccc(CN(C)C3CN(c4nccnc4C#N)C3)c2)cc1OCCCN1CCN(C)CC1,BEDKTGNDJQNAEC-UHFFFAOYSA-N
-rxn:4:221145:222540,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,UUPBKXOOKOBJFV-UHFFFAOYSA-N
-rxn:4:221155:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cnccc5C#N)C4)nc3)cc2F)CC1,HZGYXCGPJOJIIP-UHFFFAOYSA-N
-rxn:4:221162:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1,CZVXRNYCWLPOEZ-UHFFFAOYSA-N
-rxn:4:221166:222540,CSc1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(N2CCC(COc3cnccn3)CC2)n1,CLLCWYVYHZJPKJ-UHFFFAOYSA-N
-rxn:4:221168:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(Cc5cnn(C)c5)C4)nc3)c(F)cc2C)CC1,OCKMCKUREFUCSM-UHFFFAOYSA-N
-rxn:4:221175:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)c2)CC1,WPKBHFQEFIKICB-UHFFFAOYSA-N
-rxn:4:221175:228179,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(COC)c4)cn3)C2)C(=O)C1=O,BIRCPXLKDIJNIA-UHFFFAOYSA-N
-rxn:4:221175:228180,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(COC)c4)cn3)C2)C(=O)C1=O,JJIYZXNDFMBISA-UHFFFAOYSA-N
-rxn:4:221175:228183,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(COC)c4)cn3)C2)C(=O)C1=O,PCRKHAANKXROMF-UHFFFAOYSA-N
-rxn:4:221175:228241,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C(C)=O)c4)cn3)C2)C(=O)C1=O,TZMMZTIIJBKZLJ-UHFFFAOYSA-N
-rxn:4:221175:228262,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(Cl)c4OC)cn3)C2)C(=O)C1=O,XEWRTPHMCQITOY-UHFFFAOYSA-N
-rxn:4:221175:228265,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C(C)=O)c4)cn3)C2)C(=O)C1=O,JVQXMFDJCDYBPT-UHFFFAOYSA-N
-rxn:4:221175:228787,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(OC)c4)cn3)C2)C(=O)C1=O,FODWGVGDAMUMHQ-UHFFFAOYSA-N
-rxn:4:221175:228793,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(OC)c4)cn3)C2)C(=O)C1=O,GAKGMLPBWBIPQM-UHFFFAOYSA-N
-rxn:4:221176:222540,Cc1nc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)cc(C(F)(F)F)n1,FAUXHHUIRHVTAQ-UHFFFAOYSA-N
-rxn:4:221185:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(c5nc(C)cc(C)c5C#N)CC4)nc3)ccc2F)CC1,APICMBNFYXMYRZ-UHFFFAOYSA-N
-rxn:4:221199:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCN(c6ccccn6)CC5)n4)cc3)cc2)CC1,UAODPWMZSHCTBH-UHFFFAOYSA-N
-rxn:4:221202:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,IVSGMRGSNJYACW-UHFFFAOYSA-N
-rxn:4:221207:222540,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)n1,MEXHZFPXEDCHPR-UHFFFAOYSA-N
-rxn:4:221208:222540,Cc1cc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,BSJQBXIETYBMIW-UHFFFAOYSA-N
-rxn:4:221208:223279,Cc1cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)nc(N2CCOCC2)n1,HAOKAAMFWYGCQT-UHFFFAOYSA-N
-rxn:4:221220:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OC3CCCN(C(=O)Cn4cnc5ccccc54)C3)nc2)c1,QNIKSZAHCLEBDK-UHFFFAOYSA-N
-rxn:4:221250:223755,CC1CCN(CCCOc2ccc(-c3ccc(C4=NN(C(=O)CN5CCCCC5)C(c5nc6ccccc6[nH]5)C4)cc3)cc2F)CC1,LSBYQMUQDMUTPK-UHFFFAOYSA-N
-rxn:4:221252:222632,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,UOKAISILBORYCL-UHFFFAOYSA-N
-rxn:4:221276:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCC(Cc6ccccc6)CC4)c4ccccc45)cc3)c(F)c2)CC1,CXGHQGRVKWXVLS-UHFFFAOYSA-N
-rxn:4:221278:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3nc(SCC(=O)N4CCN(c5ccccc5)CC4)n4c5ccccc5nc4c3c2)c1,KXBYTZOOUGBTDI-UHFFFAOYSA-N
-rxn:4:221336:223895,CCN1CCN(CCOc2ccc(-c3cnn(CC4CN(c5nc(C)cc(C)c5C#N)C4)c3)cc2)CC1,KAVJLUPVWPSPSD-UHFFFAOYSA-N
-rxn:4:221344:223895,CCN1CCN(CCOc2ccc(-c3cnn(CC4CN(c5nc(C)c(Cl)c(C)c5C#N)C4)c3)cc2)CC1,WDXBBKIAJIFGGM-UHFFFAOYSA-N
-rxn:4:221372:222540,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)o3)CC2)c1,MXPLCXGWSDBPFT-UHFFFAOYSA-N
-rxn:4:221377:223753,Cc1ccc(-c2cnc(N3CCC(N(C)c4ccccn4)CC3)c(C#N)c2)cc1OCCCN1CCN(C)CC1,HVKFWABRIRFQQY-UHFFFAOYSA-N
-rxn:4:221377:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(N(C)c5ccccn5)CC4)c(C#N)c3)cc2F)CC1,BCMRUNJIYAUNTK-UHFFFAOYSA-N
-rxn:4:221393:225455,Cc1ccc(N2CCCCC2)cc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,YYPZPBDDYFWXEX-UHFFFAOYSA-N
-rxn:4:221399:222540,CN(C)c1ccc(N2CCN(Cc3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)nn1,MJDXNWJTSVBWQR-UHFFFAOYSA-N
-rxn:4:221403:222540,CN(C)c1ccnc(N2CCN(Cc3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)n1,UPCBTGMKSGLWEF-UHFFFAOYSA-N
-rxn:4:221415:223755,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,LSWIASOOZYMCFA-UHFFFAOYSA-N
-rxn:4:221415:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N(C)C)n5)CC4)cc3)c(F)c2)CC1,JIMQGQMIVGRRNM-UHFFFAOYSA-N
-rxn:4:221416:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)c1,ZPSQORQKXXAVOR-UHFFFAOYSA-N
-rxn:4:221429:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,WHMIMIAACJTYQY-UHFFFAOYSA-N
-rxn:4:221431:226719,CCOC(=O)c1cnc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,JDFZAKFPAZTIRB-UHFFFAOYSA-N
-rxn:4:221432:226532,CCOC(=O)c1cc(F)cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,NTBBDKAPRCFKGI-UHFFFAOYSA-N
-rxn:4:221432:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,UWZZILIPFYXTDK-UHFFFAOYSA-N
-rxn:4:221433:225723,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)CC2)n1,XKWIMTOGMLALPA-UHFFFAOYSA-N
-rxn:4:221436:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1Cl,HUNVMNJHMDRZSG-UHFFFAOYSA-N
-rxn:4:221441:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,TYBWJFURKKPVOO-UHFFFAOYSA-N
-rxn:4:221446:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,OSIIKKSPXTUOSK-UHFFFAOYSA-N
-rxn:4:221447:222504,Cc1cc(N2CCN(Cc3ccc(-c4ccc(F)c(C(=O)NCc5ccc(F)cc5)c4)cc3)CC2)nc(N2CCOCC2)n1,OAUSCXIRACTDQW-UHFFFAOYSA-N
-rxn:4:221447:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,LUDYAJRWVKRPLF-UHFFFAOYSA-N
-rxn:4:221447:222863,CCCCNC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1Cl,RSZDUEUZXARWLF-UHFFFAOYSA-N
-rxn:4:221447:222975,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC5CC5)cc4C)cc3)CC2)nc(N2CCOCC2)n1,HKKJEZLPTBAWHA-UHFFFAOYSA-N
-rxn:4:221447:223024,CCCNC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BNOYISDSBLCCHY-UHFFFAOYSA-N
-rxn:4:221447:224325,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,DSSJGPPFWRHGAY-UHFFFAOYSA-N
-rxn:4:221447:225213,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,QOCHUMGBCZOCNH-UHFFFAOYSA-N
-rxn:4:221447:225381,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,GVLMIBLKCWOSKH-UHFFFAOYSA-N
-rxn:4:221447:225428,CCCCC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(C)c1,WBJZBMUVUNKFBC-UHFFFAOYSA-N
-rxn:4:221447:225550,CCCCC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1F,SILOBPMRKAQHAQ-UHFFFAOYSA-N
-rxn:4:221447:225932,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N(C)C)c(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,LBVMOPZSGYTAGF-UHFFFAOYSA-N
-rxn:4:221447:225943,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)N5CCOCC5)s4)cc3)CC2)nc(N2CCOCC2)n1,VSRJSTVQRBDEPW-UHFFFAOYSA-N
-rxn:4:221447:226084,Cc1cc(N2CCN(Cc3ccc(-c4ccc5c(c4)C(=O)CCCC5)cc3)CC2)nc(N2CCOCC2)n1,FCKAFRIOMPJHNT-UHFFFAOYSA-N
-rxn:4:221447:226135,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)c(C#N)cc4C)cc3)CC2)nc(N2CCOCC2)n1,SSMQLYUBNBONJS-UHFFFAOYSA-N
-rxn:4:221447:226537,CCOC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1Cl,FLKPYENCSBDVBV-UHFFFAOYSA-N
-rxn:4:221447:226550,CCCOc1c(F)cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1F,LDQPWAKAZSOKPV-UHFFFAOYSA-N
-rxn:4:221447:226554,CCCOc1cc(F)c(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1F,BIRWOQZEQCFIGU-UHFFFAOYSA-N
-rxn:4:221447:226556,CCCOc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(Cl)c1F,HOYICFHNRZLUBA-UHFFFAOYSA-N
-rxn:4:221447:226559,Cc1cc(N2CCN(Cc3ccc(-c4cc(C(=O)OC(C)(C)C)cs4)cc3)CC2)nc(N2CCOCC2)n1,JJBRCJAYMKPDTA-UHFFFAOYSA-N
-rxn:4:221447:226709,Cc1cc(N2CCN(Cc3ccc(-c4c(C)cc(C(F)(F)F)cc4C)cc3)CC2)nc(N2CCOCC2)n1,HNWXEIDHNRGDBR-UHFFFAOYSA-N
-rxn:4:221447:226736,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(F)(F)F)cc4C#N)cc3)CC2)nc(N2CCOCC2)n1,MWCCKEJSPLZWFH-UHFFFAOYSA-N
-rxn:4:221447:226762,CSc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,WAKOKRRFZRFZKW-UHFFFAOYSA-N
-rxn:4:221451:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,VZKHNESRIADIAE-UHFFFAOYSA-N
-rxn:4:221452:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cncc(C5CCCN5)c4)c3)CC2)n1,PETDNFKTWVTAOK-UHFFFAOYSA-N
-rxn:4:221456:222632,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)n1,ZUZHIZZSHCCVKW-UHFFFAOYSA-N
-rxn:4:221456:227860,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN5C)cc3)CC2)n1,LSAHTPITDWZNBL-UHFFFAOYSA-N
-rxn:4:221492:222540,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)n2n1,ULJSNUBNUABOBZ-UHFFFAOYSA-N
-rxn:4:221492:222632,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)o4)CC3)n2n1,JOWQARBUULQBLD-UHFFFAOYSA-N
-rxn:4:221492:223753,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)o4)CC3)n2n1,LIJWSAKNWIQTGR-UHFFFAOYSA-N
-rxn:4:221492:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)cc2)CC1,CIQBMASDZMLXNK-UHFFFAOYSA-N
-rxn:4:221501:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cnc6ccccc6n5)C4)nc3)cc2F)CC1,JHPMEKGGASDIPG-UHFFFAOYSA-N
-rxn:4:221528:222540,CC(C)c1sc(-c2cccc(C(=O)NCCN3CCCCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HVHYGGLYUDBGEU-UHFFFAOYSA-N
-rxn:4:221562:222540,Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c2)n(C)c1=O,MBJPUMIJOBECKR-UHFFFAOYSA-N
-rxn:4:221641:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)c1,ZRLHZJMTTGYWSG-UHFFFAOYSA-N
-rxn:4:221641:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,LVNCYHMHXMBDPF-UHFFFAOYSA-N
-rxn:4:221722:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5nc6ccccc6nc5C)CC4)nc3)c(F)cc2C)CC1,JKSXFBVUSAVLAE-UHFFFAOYSA-N
-rxn:4:221726:225801,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(OC4CCCC4)c3Cl)cn2)CC1,JEAUQUODWUOFTK-UHFFFAOYSA-N
-rxn:4:221728:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCC(c6nn(C)c(=O)n6C6CC6)CC5)sc4c3)c2)CC1,TWGROIVFJWQQEJ-UHFFFAOYSA-N
-rxn:4:221762:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(C(C)C)c(C)c(C)n56)n(C)c4=O)cc3)cc2)CC1,WHASBODFUIGZPR-UHFFFAOYSA-N
-rxn:4:221832:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2F)CC1,KGYUKWYIZZDTNK-UHFFFAOYSA-N
-rxn:4:221832:224612,O=S1(=O)N=C(N2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)c2ccccc21,PXULVYXOKDLBQM-UHFFFAOYSA-N
-rxn:4:221832:224782,CN1CCN(c2cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc(F)c2F)CC1,XLVANBWDETZELI-UHFFFAOYSA-N
-rxn:4:221836:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2F)CC1,KXBPBODPLUEPOW-UHFFFAOYSA-N
-rxn:4:221914:222540,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)n2)CC1,QGKVCWIPMWTFCZ-UHFFFAOYSA-N
-rxn:4:221937:222540,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)nn1,HMAGMWICZSNSMC-UHFFFAOYSA-N
-rxn:4:221945:222540,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)C3)nn2)n1,YHPQDLFTQOKXKI-UHFFFAOYSA-N
-rxn:4:221962:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)CC4)c3)cc2)CC1,HFNCASKCUOYUML-UHFFFAOYSA-N
-rxn:4:221967:223520,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)c1=O,MAEJNEZYYZDURB-UHFFFAOYSA-N
-rxn:4:221975:223812,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCC8(CC7)OCCO8)c6)cc5)no4)C3C2=O)cc1,PZNIRVXDMRDSAW-UHFFFAOYSA-N
-rxn:4:221975:225213,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6Cl)cc5)no4)C3C2=O)cc1,WSMMMJHCQHUIOJ-UHFFFAOYSA-N
-rxn:4:221979:225723,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1,NINJGWBMBINAQG-UHFFFAOYSA-N
-rxn:4:221982:222540,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cc5)no4)C3C2=O)cc1,OUBODGZOIQDYPS-UHFFFAOYSA-N
-rxn:4:221982:226353,COc1cc(C2CC2)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1Cl,YWBWPVUVPLEMGB-UHFFFAOYSA-N
-rxn:4:221993:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN(C)C)c(C)c(C)n56)n(C)c4=O)cc3)ccc2F)CC1,XATXXZIGCGGVLF-UHFFFAOYSA-N
-rxn:4:221994:225723,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCCN(C)C)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,TZHLOJPVNFIYJH-UHFFFAOYSA-N
-rxn:4:222017:222540,Cc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)CC3)nn2)n1,VHOCZONFAUXIRY-UHFFFAOYSA-N
-rxn:4:222018:222540,Cc1noc(-c2cn(C3CCCN(C(=O)c4cccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)C3)nn2)n1,OIJGSTBTWCIIPQ-UHFFFAOYSA-N
-rxn:4:222021:222632,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)CC2)c1F,OFWBMWWEAXJELP-UHFFFAOYSA-N
-rxn:4:222034:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)cc3)c(F)cc2C)CC1,AMDDNDNVLPJYCJ-UHFFFAOYSA-N
-rxn:4:222044:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)cc2)CC1,ZCWZTVLOUOGXIP-UHFFFAOYSA-N
-rxn:4:222051:222540,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)CC3)nn2)n1,IJEAYORHVVNHRI-UHFFFAOYSA-N
-rxn:4:222051:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5ccc(-n6nc(C)cc6C)nn5)CC4)cc3)c2)CC1,MWMHQAUAARNVQU-UHFFFAOYSA-N
-rxn:4:222053:222846,CCc1cc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4C#N)cn3)CC2)nc(C(C)(C)C)n1,FWBKUGSWOBKPIJ-UHFFFAOYSA-N
-rxn:4:222054:222540,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)nn2)CC1,CENDHRFAVIXRFM-UHFFFAOYSA-N
-rxn:4:222054:226844,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)o4)CC3)nn2)CC1,KWVPAFSCTBSYEJ-UHFFFAOYSA-N
-rxn:4:222054:227794,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])cc(Cl)c5F)o4)CC3)nn2)CC1,NHTNUEHQLUFFDZ-UHFFFAOYSA-N
-rxn:4:222059:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-n6nc(C)c(C)c6C)nn5)CC4)cc3)c(F)c2)CC1,YJCOBFYNFDQLHQ-UHFFFAOYSA-N
-rxn:4:222062:222632,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)n1,PGUBOFTXXPUZHI-UHFFFAOYSA-N
-rxn:4:222084:224612,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)no3)C2C(=O)N1c1ccccc1,OIIJOJFWRKPEJH-UHFFFAOYSA-N
-rxn:4:222094:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5nc6cccnc6n5C)C4)nc3)cc2)CC1,PMPPYJVOKPUXEK-UHFFFAOYSA-N
-rxn:4:222097:223671,Cc1cn2nc(OCC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)ccc2n1,UJAAGMZHASQUGG-UHFFFAOYSA-N
-rxn:4:222108:222437,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc5)no4)C3C2=O)cc1F,UNLFPIVXQRKWIZ-UHFFFAOYSA-N
-rxn:4:222108:222543,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(NC(=O)OC(C)(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1F,IZFTTXXXJDPUQH-UHFFFAOYSA-N
-rxn:4:222108:222607,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC7CCN(S(C)(=O)=O)CC7)cc6)cc5)no4)C3C2=O)cc1F,YTKFIVPQVUTHCM-UHFFFAOYSA-N
-rxn:4:222108:222673,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CCCCC7)ccc6Cl)cc5)no4)C3C2=O)cc1F,HWHCIYBAVPGBEC-UHFFFAOYSA-N
-rxn:4:222108:222701,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,LXORDCFEBPWPIX-UHFFFAOYSA-N
-rxn:4:222108:222723,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NS(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,QTSWVVNOEISPLM-UHFFFAOYSA-N
-rxn:4:222108:222725,CCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,FJLDEVMKFXQWTC-UHFFFAOYSA-N
-rxn:4:222108:222746,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1F,XUTGUSABIFNJRA-UHFFFAOYSA-N
-rxn:4:222108:222883,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)cc6Cl)cc5)no4)C3C2=O)cc1F,CLAHORDXAFTEIS-UHFFFAOYSA-N
-rxn:4:222108:222909,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,PYLOHSLPIYEBND-UHFFFAOYSA-N
-rxn:4:222108:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,VGBDEPCNHCNMIZ-UHFFFAOYSA-N
-rxn:4:222108:222973,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,LIGDABCXFWDQLK-UHFFFAOYSA-N
-rxn:4:222108:223004,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,CUHAOAMOCIYMOC-UHFFFAOYSA-N
-rxn:4:222108:223008,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ccc6F)cc5)no4)C3C2=O)cc1F,BISOHKNXMRPROE-UHFFFAOYSA-N
-rxn:4:222108:223033,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(Cl)c1,XIPUQYPCQYEIHZ-UHFFFAOYSA-N
-rxn:4:222108:223037,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1F,CWQCSQIBLGPQHJ-UHFFFAOYSA-N
-rxn:4:222108:223044,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,WQQVRVGFAMSXME-UHFFFAOYSA-N
-rxn:4:222108:223045,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)ccc6F)cc5)no4)C3C2=O)cc1F,NRBZZGGUJSPILK-UHFFFAOYSA-N
-rxn:4:222108:223058,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,SYJQMPXBDNEWDF-UHFFFAOYSA-N
-rxn:4:222108:223556,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,OHCCCWLIMVKQMV-UHFFFAOYSA-N
-rxn:4:222108:223659,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1F,PCVTYRWIVICOCA-UHFFFAOYSA-N
-rxn:4:222108:223685,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c(OCc7cccnc7)c6)cc5)no4)C3C2=O)cc1F,GXLFVYIDRUACDV-UHFFFAOYSA-N
-rxn:4:222108:223691,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)c(C(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1F,BPOOEVAMOSOQHR-UHFFFAOYSA-N
-rxn:4:222108:223696,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)cc6)cc5)no4)C3C2=O)cc1F,ZACSVIINOUKQIQ-UHFFFAOYSA-N
-rxn:4:222108:223787,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,MUDOOECREOVOTA-UHFFFAOYSA-N
-rxn:4:222108:223898,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C(=O)OC(C)(C)C)C(C)C)cc6)cc5)no4)C3C2=O)cc1F,DOWZMAWQKQBFIX-UHFFFAOYSA-N
-rxn:4:222108:223920,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,UZSQDPCTKYDRDG-UHFFFAOYSA-N
-rxn:4:222108:224101,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1F,UURPXFKCJGVJNK-UHFFFAOYSA-N
-rxn:4:222108:224243,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1F,SBPWTXCNCRRGLH-UHFFFAOYSA-N
-rxn:4:222108:224323,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(S(=O)(=O)N7CCCC7)c(C)c6)cc5)no4)C3C2=O)cc1F,IJCHWNMFLHRPNL-UHFFFAOYSA-N
-rxn:4:222108:224490,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6OCCN6CCCCC6)cc5)no4)C3C2=O)cc1F,MIATULJEEGTYGS-UHFFFAOYSA-N
-rxn:4:222108:224663,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,KFRXCJBDPZNMOG-UHFFFAOYSA-N
-rxn:4:222108:224771,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,FPDVXBWAMPBMHH-UHFFFAOYSA-N
-rxn:4:222108:224798,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC(F)(F)F)ccc6OC(C)C)cc5)no4)C3C2=O)cc1F,RBMJPRSMVTUCHS-UHFFFAOYSA-N
-rxn:4:222108:225001,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCC(F)C7)cc6)cc5)no4)C3C2=O)cc1F,BVJCZBHQCDTICQ-UHFFFAOYSA-N
-rxn:4:222108:225053,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6F)cc5)no4)C3C2=O)cc1F,MMRLDIDGUAVDHS-UHFFFAOYSA-N
-rxn:4:222108:225054,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6Cl)cc5)no4)C3C2=O)cc1F,CLEMOPCYEKHLQV-UHFFFAOYSA-N
-rxn:4:222108:225090,CCOCc1cc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(OC)c1,ZDLJWDJNUSAARL-UHFFFAOYSA-N
-rxn:4:222108:225145,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1F,QZSYDGALVVWGMU-UHFFFAOYSA-N
-rxn:4:222108:225174,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)cc6CN6CCOCC6)cc5)no4)C3C2=O)cc1F,KKVAMJQDQDWJKV-UHFFFAOYSA-N
-rxn:4:222108:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,KMDGRAJAGZJKMX-UHFFFAOYSA-N
-rxn:4:222108:225357,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c(C(F)(F)F)c1,FTCDISQPRPDCDT-UHFFFAOYSA-N
-rxn:4:222108:225542,CCCCCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1F,DEPBYJNCAPSREE-UHFFFAOYSA-N
-rxn:4:222108:225551,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1OC(C)C,AZOFPCXFPKWBND-UHFFFAOYSA-N
-rxn:4:222108:225709,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)nc6)cc5)no4)C3C2=O)cc1F,UHEVVDDNEJUBMZ-UHFFFAOYSA-N
-rxn:4:222108:225747,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,IQAKHCZKSFIBQA-UHFFFAOYSA-N
-rxn:4:222108:225776,CCCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,IIJUZVNABYAJRM-UHFFFAOYSA-N
-rxn:4:222108:225813,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(OC(C)C)c(F)c6C)cc5)no4)C3C2=O)cc1F,UIPNXVFBPMAOSW-UHFFFAOYSA-N
-rxn:4:222108:225815,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,YJSYMSWVWSRPJT-UHFFFAOYSA-N
-rxn:4:222108:225818,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)cc6C6CC6)cc5)no4)C3C2=O)cc1F,XMEOTUMFTPWFMI-UHFFFAOYSA-N
-rxn:4:222108:225879,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,HLQSQIOIXKWTPW-UHFFFAOYSA-N
-rxn:4:222108:225905,CON(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(Cl)c1,WMNCCKNOUIBECX-UHFFFAOYSA-N
-rxn:4:222108:225907,CCCc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,HLHKUCJSYOVOQS-UHFFFAOYSA-N
-rxn:4:222108:225928,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1F,OHCOSJQDVYKPBF-UHFFFAOYSA-N
-rxn:4:222108:225929,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C)c(C)c6)cc5)no4)C3C2=O)cc1F,OKHAWEFRTHQZTH-UHFFFAOYSA-N
-rxn:4:222108:225941,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,PQNQOGOHHDIGQT-UHFFFAOYSA-N
-rxn:4:222108:226037,COc1c(C(F)(F)F)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,QJPYYLDEZIESMD-UHFFFAOYSA-N
-rxn:4:222108:226661,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCN(C)CC7)cs6)cc5)no4)C3C2=O)cc1F,ZWIUUIPICJHOAL-UHFFFAOYSA-N
-rxn:4:222108:226837,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C)nn(CC(F)(F)F)c6C)cc5)no4)C3C2=O)cc1F,RQXYJPGJVXHZGW-UHFFFAOYSA-N
-rxn:4:222112:223755,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cn4)CC3)nn2c1C,HBNUKOSFEABPOB-UHFFFAOYSA-N
-rxn:4:222163:222540,Cc1nc(C2CC2)cc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)n1,ZKEAPAIYFPKZOK-UHFFFAOYSA-N
-rxn:4:222184:222540,Cn1nc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,MBAHKRZQOPXROY-UHFFFAOYSA-N
-rxn:4:222188:222540,CCc1ncnc(N2CC3CN(c4ncc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cn4)CC3C2)c1F,YXARZAMLWSBSLA-UHFFFAOYSA-N
-rxn:4:222249:222540,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cccc(C(=O)NCCN7CCCCC7)c6)o5)CC4)ncnc32)cc1,OZIKXVCQVBPJOA-UHFFFAOYSA-N
-rxn:4:222251:223895,CCN1CCN(CCOc2ccc(-c3cnc(N(C)C4CN(c5nccnc5C#N)C4)c(C#N)c3)cc2)CC1,JXLPEOPPGGNSBY-UHFFFAOYSA-N
-rxn:4:222252:222632,CSc1ncc(-c2cccc(C(=O)NCCN3CCCC3)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,ULAWNZWMMLAROX-UHFFFAOYSA-N
-rxn:4:222255:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(COc4ccc5nnc(C6CC6)n5n4)C3)nc2)c1,QVXROUHXQRPNEV-UHFFFAOYSA-N
-rxn:4:222275:222540,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cccc(C(=O)NCCN7CCCCC7)c6)o5)CC4)ncnc32)cc1,SKRRBXXBNXEAAY-UHFFFAOYSA-N
-rxn:4:222288:223753,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c2)cc1OCCCN1CCN(C)CC1,NKSRHLUAFNZCFR-UHFFFAOYSA-N
-rxn:4:222297:222540,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)ncnc21,WQJQPVUYUIKCKO-UHFFFAOYSA-N
-rxn:4:222302:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,BNUOEEYLFGTRBI-UHFFFAOYSA-N
-rxn:4:222303:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)cc2F)CC1,JMNWOKHJTDLGQO-UHFFFAOYSA-N
-rxn:4:222315:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)c3)cc2)CC1,HIUCTFMSWMFFEF-UHFFFAOYSA-N
-rxn:4:222335:222522,COc1ccc(-c2cnc(N3CCN(c4cc(C)nc(N5CCCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,MCMJRBFCEFXCKZ-UHFFFAOYSA-N
-rxn:4:222380:222539,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc7c(c6)CC(NC(=O)OC(C)(C)C)C7)cn5)CC4C3)ncnc21,KFZIYSSNSJKZSH-UHFFFAOYSA-N
-rxn:4:222380:222619,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CNC(=O)C7CCCCC7)cc6)cn5)CC4C3)ncnc21,RDGYOJYNKXKVKZ-UHFFFAOYSA-N
-rxn:4:222380:222705,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C7CCNCC7)cc(C(F)(F)F)c6)cn5)CC4C3)ncnc21,XLGRQBVVNHQSJQ-UHFFFAOYSA-N
-rxn:4:222380:223506,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,XXOQKOMLVBWJEM-UHFFFAOYSA-N
-rxn:4:222380:223526,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cn5)CC4C3)ncnc21,HFZHIDJZTMSVPQ-UHFFFAOYSA-N
-rxn:4:222380:223598,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)cn5)CC4C3)ncnc21,IMSVVHAVMRLJAV-UHFFFAOYSA-N
-rxn:4:222380:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)ccc2OC)CC1,KMDAKJMAYUCSHW-UHFFFAOYSA-N
-rxn:4:222380:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)c2)CC1,BGXXZBJOHUAJES-UHFFFAOYSA-N
-rxn:4:222380:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2F)CC1,HOYNBHQCIDAKIW-UHFFFAOYSA-N
-rxn:4:222380:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)c2)CC1,KOWCWOQQCYGDON-KCKVDPLKSA-N
-rxn:4:222380:224195,CCN1CCN(Cc2cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)ccc2Cl)CC1,QQQRDWZHCZQKKE-UHFFFAOYSA-N
-rxn:4:222380:224283,CCn1cnc2c(N3CC4CN(c5ncc(-c6cnc(OC(C)(C)C)nc6OC(C)(C)C)cn5)CC4C3)ncnc21,FFWGASHVQKIDOI-UHFFFAOYSA-N
-rxn:4:222380:224286,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCOCC7)c(Cl)c6)cn5)CC4C3)ncnc21,WUWOTACMURCJHD-UHFFFAOYSA-N
-rxn:4:222523:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1OC,GSVRKVHTCAQJAR-UHFFFAOYSA-N
-rxn:4:222610:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,JIYNFWHREQSHTR-UHFFFAOYSA-N
-rxn:4:222630:214763,CCCN1CCN(c2ncc(C)cc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)CC1,IYOPVRJFKZPJKF-UHFFFAOYSA-N
-rxn:4:222633:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1OC,QREHLEUKIWVUQH-UHFFFAOYSA-N
-rxn:4:222681:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(CNC(=O)OC(C)(C)C)c2F)cc1OC,HONRTEWIYGPHPG-UHFFFAOYSA-N
-rxn:4:222682:204603,COc1cccc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)c1NC(=O)OC(C)(C)C,KWACRFQWWWDXOF-UHFFFAOYSA-N
-rxn:4:222693:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1,OYXYGXRUMHMKBZ-UHFFFAOYSA-N
-rxn:4:222712:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1F,VHBSVSUHHLZFIT-UHFFFAOYSA-N
-rxn:4:222723:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cn1,JNYBXRLHVIPLAN-UHFFFAOYSA-N
-rxn:4:223080:184219,CC(C)NS(=O)(=O)c1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)cc1,RTWJMRXXEHHWIK-UHFFFAOYSA-N
-rxn:4:223080:213896,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,YPMFIPUHZYZLGX-UHFFFAOYSA-N
-rxn:4:223093:174444,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,VPMQYTLZAIMOCY-UHFFFAOYSA-N
-rxn:4:223521:194329,CC(c1cccc(-c2ccc3sc(C(=O)N(C)C)cc3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,IAWUMOCUKMKFNB-UHFFFAOYSA-N
-rxn:4:223570:185491,CON=CC(C)C(=O)c1ccc2c(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc2c1,AOMDRROVDBBNFI-UHFFFAOYSA-N
-rxn:4:223570:193958,CC1CCCC(C)N1S(=O)(=O)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,KPZMKRMGAGBUDK-UHFFFAOYSA-N
-rxn:4:223580:174574,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc4cc(C(=O)OC)ccc4n3C(=O)OC(C)(C)C)cc1)C2=O,LJPCXYGPRXHKFS-UHFFFAOYSA-N
-rxn:4:223651:187130,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(-c2cccn2C(=O)OC(C)(C)C)cc1,SQKWJGRNKYVCPV-UHFFFAOYSA-N
-rxn:4:223810:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,LHVMFUWMKAHWLK-UHFFFAOYSA-N
-rxn:4:224160:173802,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc21,NPHRTGFNPWNZRX-UHFFFAOYSA-N
-rxn:5:176860:225634:225926,COC(=O)c1c(-c2cnc(N3CCCCC3)c(C)c2)ccc(OC)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,USQHICNNAISNHK-UHFFFAOYSA-N
-rxn:5:176865:225926:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)cc(OC)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,IQSFGQGRKZOVTH-UHFFFAOYSA-N
-rxn:5:177181:225985:225833,CC(C)OC(=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccnc(N3CCCCC3)c2F)c1,SVYWHFQSSXGPOI-UHFFFAOYSA-N
-rxn:5:177182:225584:225833,CCOC(=O)c1cc(C)cc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccc(C(=O)N2CCCC2)cc1,JYDBDRDTOBNFQF-UHFFFAOYSA-N
-rxn:5:177182:225636:225833,CCOC(=O)c1cc(C)cc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccnc(N2CCC(C)CC2)c1,GORFNHHUPLPSOP-UHFFFAOYSA-N
-rxn:5:177182:225833:225849,CCOC(=O)c1cc(C)cc(-c2cnc(N3CCCCC3)cc2F)c1-c1ccnc(N2CCCCC2)c1F,NDACRRVLILDGJU-UHFFFAOYSA-N
-rxn:5:177182:225926:225634,CCOC(=O)c1cc(C)cc(-c2cnc(N3CCCCC3)c(C)c2)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,QUJYAPIYFVSJCL-UHFFFAOYSA-N
-rxn:5:177182:225926:225834,CCOC(=O)c1cc(C)cc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,VLYZDJJEUSUPBW-UHFFFAOYSA-N
-rxn:5:177182:225926:225849,CCOC(=O)c1cc(C)cc(-c2cnc(N3CCCCC3)cc2F)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,WGDBUTQEEPMYRL-UHFFFAOYSA-N
-rxn:5:177183:225804:225849,CCOC(=O)c1cc(C)c(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(C(=O)N3CCC3)c(F)c2)c1,QQFFBJRVLYBBJP-UHFFFAOYSA-N
-rxn:5:177183:225833:225833,CCOC(=O)c1cc(C)c(-c2ccnc(N3CCCCC3)c2F)c(-c2ccnc(N3CCCCC3)c2F)c1,AOUJKIVMKAKVAQ-UHFFFAOYSA-N
-rxn:5:177183:225926:225834,CCOC(=O)c1cc(C)c(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,ZHGNMOMTYHJWNN-UHFFFAOYSA-N
-rxn:5:177183:225980:225873,CCOC(=O)c1cc(C)c(-c2cccc(N3CCOCC3=O)c2)c(-c2cc(N3CCOCC3)ncc2F)c1,HPJDLQYSELGOBT-UHFFFAOYSA-N
-rxn:5:177183:225982:225873,CCOC(=O)c1cc(C)c(-c2cccc(N3CCOCC3=O)c2)c(-c2cnc(N3CCOCC3)cc2F)c1,VYWVHLJUDVNLQB-UHFFFAOYSA-N
-rxn:5:177184:225634:225986,CCOC(=O)c1c(-c2ccccc2N2CCCS2(=O)=O)ccc(C)c1-c1cnc(N2CCCCC2)c(C)c1,HIDIPRXSDQJXPK-UHFFFAOYSA-N
-rxn:5:177184:225926:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,KFADZFACVXRNAU-UHFFFAOYSA-N
-rxn:5:177184:225926:225849,CCOC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(C)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,HILWQZSOGTZKRZ-UHFFFAOYSA-N
-rxn:5:177185:223062:226661,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,BYTKSBXOQCJMTC-UHFFFAOYSA-N
-rxn:5:177185:223062:226662,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,HSKWJUDAFPAUMF-UHFFFAOYSA-N
-rxn:5:177185:223064:226662,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,ZVYKYSKOPRPAHM-UHFFFAOYSA-N
-rxn:5:177186:225926:225849,CCOC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1C,ZWCXRPSHCMLEOY-UHFFFAOYSA-N
-rxn:5:177186:225986:225833,CCOC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)cc1C,BJAIUUQMNXQLHY-UHFFFAOYSA-N
-rxn:5:177187:225849:225873,CCOC(=O)c1cc(C)cc(-c2cnc(N3CCCCC3)cc2F)c1-c1cccc(N2CCOCC2=O)c1,HTOMPFMILKPGKW-UHFFFAOYSA-N
-rxn:5:177188:225849:225849,CCOC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cnc(N3CCCCC3)cc2F)c1C,IGKAXSDGLKXBII-UHFFFAOYSA-N
-rxn:5:177189:225583:225833,CCOC(=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)ccc(C)c1-c1ccnc(N2CCCCC2)c1F,PCNPHOFGUCKPQZ-UHFFFAOYSA-N
-rxn:5:177189:225804:225640,CCOC(=O)c1c(-c2ccc(C(=O)N3CCC3)c(F)c2)ccc(C)c1-c1ccnc(N2CCCCC2C)c1,OMEFHNNDYSQCPS-UHFFFAOYSA-N
-rxn:5:177189:225931:225794,CCOC(=O)c1c(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)ccc(C)c1-c1cnc(OC2CCCCC2)nc1,FTYHRGKOJRJHBG-UHFFFAOYSA-N
-rxn:5:177190:225455:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,HGBXVFNVBNWWHN-UHFFFAOYSA-N
-rxn:5:177190:225455:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cc(N3CCCCC3)ccc2C)c1,QAMNLCUEJJKMGZ-UHFFFAOYSA-N
-rxn:5:177190:225455:225641,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,NHUVSRRXICMZQP-UHFFFAOYSA-N
-rxn:5:177190:225455:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,HSGWEZYVSPLAHG-UHFFFAOYSA-N
-rxn:5:177190:225461:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,HUGFXEGLVUBONP-UHFFFAOYSA-N
-rxn:5:177190:225461:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCCC3)cc2C)c1,SZNACHFBBAWHSW-UHFFFAOYSA-N
-rxn:5:177190:225461:225641,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,CAAARQXITJJKDB-UHFFFAOYSA-N
-rxn:5:177190:225470:225672,CCS(=O)(=O)Cc1ccc(-c2cc(F)nc(C3CCCCC3)c2)c(-c2ccc(N3CCC(C)CC3)cc2)c1,KBCMWJHWARAJEG-UHFFFAOYSA-N
-rxn:5:177190:225514:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc3c2OCC2(CC2)CO3)c1,BEKSTKLQJLZSDX-UHFFFAOYSA-N
-rxn:5:177190:225576:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,JUQXXMJOOPKFFD-UHFFFAOYSA-N
-rxn:5:177190:225577:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCC3)cc2C#N)c1,AXWIBALWTQIGJA-UHFFFAOYSA-N
-rxn:5:177190:225633:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,GLUUQSWKIGIUKR-UHFFFAOYSA-N
-rxn:5:177190:225633:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,FNXWPEWATCMYRK-UHFFFAOYSA-N
-rxn:5:177190:225636:225834,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccnc(N3CCC(C)CC3)c2)c1,HWAXTJLLAGJBCG-UHFFFAOYSA-N
-rxn:5:177190:225638:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(N3CCC(C)CC3)nc2)c1,YJUDEBGLNZUBFD-UHFFFAOYSA-N
-rxn:5:177190:225641:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCCC(C)C3)c2)c1,GIXRWJIJTGJMAK-UHFFFAOYSA-N
-rxn:5:177190:225641:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccnc(N3CCCC(C)C3)c2)c1,VAUBCVGWQPVZAN-UHFFFAOYSA-N
-rxn:5:177190:225833:225849,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCCCC3)c2F)c1,SOGLPHTVLFGESZ-UHFFFAOYSA-N
-rxn:5:177190:225833:225926,CCS(=O)(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccnc(N3CCCCC3)c2F)c1,KXZGGJJLSZGKRU-UHFFFAOYSA-N
-rxn:5:177190:225849:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cnc(N3CCCCC3)cc2F)c1,NDLMMCBBVWKASB-UHFFFAOYSA-N
-rxn:5:177190:225849:225849,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cnc(N3CCCCC3)cc2F)c1,YKKBMIQDBJYQOP-UHFFFAOYSA-N
-rxn:5:177190:225879:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCOCC3)cc2F)c1,XEWYSXDOJFMYKC-UHFFFAOYSA-N
-rxn:5:177190:226426:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(C)CC3)s2)c1,FDPAOTXDUVBEQF-UHFFFAOYSA-N
-rxn:5:177190:226426:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(C)CC3)s2)c1,YEBOSABLXSLTQC-UHFFFAOYSA-N
-rxn:5:177193:225584:225672,CCOC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1cc(F)nc(C2CCCCC2)c1,SFCTURSEIUDCSK-UHFFFAOYSA-N
-rxn:5:177193:225584:225833,CCOC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccnc(N2CCCCC2)c1F,PVUYTPXUZOCRDQ-UHFFFAOYSA-N
-rxn:5:177193:225849:225926,CCOC(=O)c1cc(C)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,DTUFSOXZTCNJFG-UHFFFAOYSA-N
-rxn:5:177193:225986:225849,CCOC(=O)c1cc(C)c(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cnc(N2CCCCC2)cc1F,TXUVWFMVCDYSRB-UHFFFAOYSA-N
-rxn:5:177448:225985:225834,COc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(OC(C)C)c1-c1cc(N2CCCCC2)ncc1F,FYLKFAWHHIZSIO-UHFFFAOYSA-N
-rxn:5:177736:226062:225515,CC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccc3c2OCC(C)(C)CO3)cc(C(C)C)c1,GNAZIUNCLTYBQY-UHFFFAOYSA-N
-rxn:5:177738:222409:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(-c2ccc(OC)c(S(N)(=O)=O)c2)cc1OC1CCC1,DNKFTRMIPKGWET-UHFFFAOYSA-N
-rxn:5:177738:225794:222409,COc1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c(-c2cnc(OC3CCCCC3)nc2)cc1OC1CCC1,SVEPZXXKYVBTOH-UHFFFAOYSA-N
-rxn:5:178117:226437:226464,COc1ccc2c(c1-c1ccc(-c3cc(C4CCCC4)ncc3F)cc1OCC1CCOCC1)OCCO2,ZDJSFYQDFGVNKY-UHFFFAOYSA-N
-rxn:5:178119:226322:226334,Cc1cc(C(=O)N(C)C)cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2ccc(C(=O)N(C)C)cc2C)c1,VSHQBXPFTATGLW-UHFFFAOYSA-N
-rxn:5:178224:222988:227505,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2)cc(C2CCNCC2)n1,PHPAAMGIPHGEEK-DTQAZKPQSA-N
-rxn:5:178226:222996:227592,COc1cc(F)cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(F)cc2C2CCCNC2)c1OC,MMOCHLCOZVWBCE-UHFFFAOYSA-N
-rxn:5:178295:223012:227068,COC(=O)c1cc2cc(-c3ccc(-c4ccc(CC(C)C)cc4F)cc3C3(C(=O)OC)CCC(=O)CC3)ccc2[nH]1,OZOIEJXWAHOWSK-UHFFFAOYSA-N
-rxn:5:178295:223269:227935,CCc1cc(-c2ccc(-c3ccc(NC(C)=O)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,JDQGQSBPICCEOF-UHFFFAOYSA-N
-rxn:5:178295:223270:225506,COC(=O)C1(c2cc(-c3ccc4c(cnn4CC(C)C)c3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,YHMCFVFPNBSLED-UHFFFAOYSA-N
-rxn:5:178295:223270:228388,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,DUBRJGXAJOLFQA-UHFFFAOYSA-N
-rxn:5:178295:223270:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,CSAVIZRBDYMIGG-UHFFFAOYSA-N
-rxn:5:178295:223353:227077,CCC(C)c1ccc(-c2ccc(-c3cccc(NC(C)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,AIVRFFYAXAEKKN-UHFFFAOYSA-N
-rxn:5:178295:223357:227061,COC(=O)C1(c2cc(-c3cc(OC(C)C)ccc3C)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,VMKJDKDQLOTAEJ-UHFFFAOYSA-N
-rxn:5:178295:223421:227050,CNC(C)c1ccc(-c2ccc(-c3ccc(OC(C)C)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,LGAXDXLENKVAOS-UHFFFAOYSA-N
-rxn:5:178295:226058:227989,CC#Cc1ccc(F)c(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YXCSAOTZXZCVOA-UHFFFAOYSA-N
-rxn:5:178295:226059:227935,CCc1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,ZDXHVXCKQCTBNM-UHFFFAOYSA-N
-rxn:5:178295:226062:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,IZFFTNCBIMMQBI-UHFFFAOYSA-N
-rxn:5:178295:226068:228520,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,RZGYTUIAFDGDKM-UHFFFAOYSA-N
-rxn:5:178295:226069:227941,COCc1cc(C)cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OULOEGDECHVSBU-UHFFFAOYSA-N
-rxn:5:178295:226069:228562,CCC(C)c1csc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YIQHCBXTTYZOST-UHFFFAOYSA-N
-rxn:5:178295:226085:227920,CCC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KPVRAMZATDFYSO-UHFFFAOYSA-N
-rxn:5:178295:226140:228637,COC(=O)C1(c2cc(-c3cc(C)c(F)cc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,LBHRMATYDPCQDJ-UHFFFAOYSA-N
-rxn:5:178295:226144:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,GDOXSVMPQIHOAM-UHFFFAOYSA-N
-rxn:5:178295:226154:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,JRLZYDSGPVZJBK-UHFFFAOYSA-N
-rxn:5:178295:226188:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CCC(=O)CC1,DCNZTWORWYDKLT-UHFFFAOYSA-N
-rxn:5:178295:226191:227071,COCc1cc(C)c(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RUDLDFQWBWUDND-UHFFFAOYSA-N
-rxn:5:178295:226211:227810,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCN4C(C)=O)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,CXSKDBKBENEHRY-UHFFFAOYSA-N
-rxn:5:178295:226334:228517,CC#Cc1ccccc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,DISOBBKOXPGMJS-UHFFFAOYSA-N
-rxn:5:178295:226341:223215,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)CC4)ccc2-c2cc(C(C)C)c(F)cc2OC)CCC(=O)CC1,HLMQNRCEQQOVDF-UHFFFAOYSA-N
-rxn:5:178295:226582:228780,COC(=O)C1(c2cc(-c3cccc(F)c3OC)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,MFFDSEAFOLNIBR-UHFFFAOYSA-N
-rxn:5:178295:226589:227932,COCc1ccc(C)c(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FXYXMZJTZONUAY-UHFFFAOYSA-N
-rxn:5:178295:226782:228567,CCC(C)c1sccc1-c1ccc(-c2cc(F)c(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,YAURMVJUMSACPA-UHFFFAOYSA-N
-rxn:5:178295:226910:226085,CCC(C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,HZJGZQXFRZJMKO-UHFFFAOYSA-N
-rxn:5:178295:226910:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,QSCBKOGVWAKBER-UHFFFAOYSA-N
-rxn:5:178295:226910:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,CSTHYCSWIUUZDM-UHFFFAOYSA-N
-rxn:5:178295:226911:226974,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc3c(c2)COC3(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,WYXDMYRUTZSIPH-UHFFFAOYSA-N
-rxn:5:178295:226914:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,VZXHOIOWENTRNV-UHFFFAOYSA-N
-rxn:5:178295:226914:227205,COC(=O)C1(c2cc(-c3cccc4c3OCCCO4)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,PZDNYGWZVMYMKB-UHFFFAOYSA-N
-rxn:5:178295:226914:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,XUIGEEICCVKRDA-UHFFFAOYSA-N
-rxn:5:178295:226926:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,KMVATOKSXCJYCM-UHFFFAOYSA-N
-rxn:5:178295:226959:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,PLOJQAZIHMOOCY-UHFFFAOYSA-N
-rxn:5:178295:226959:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,FKPOEDDTYVVKKR-UHFFFAOYSA-N
-rxn:5:178295:226968:227337,COC(=O)C1(c2cc(-c3cc(F)ccc3OC(C)C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,VAHCZOWEBIUPLD-UHFFFAOYSA-N
-rxn:5:178295:226968:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)OC(C)(C)C3)c(C2(C(=O)OC)CCC(=O)CC2)c1,MDRRILSJUKXZAR-UHFFFAOYSA-N
-rxn:5:178295:226969:226149,COC(=O)C1(c2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,OLKKXSHAICJCAN-UHFFFAOYSA-N
-rxn:5:178295:226973:223286,COC(=O)C1(c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,SWJMGLUNAMXYPB-UHFFFAOYSA-N
-rxn:5:178295:226973:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,OAIAZUAXWCSFLD-UHFFFAOYSA-N
-rxn:5:178295:226974:227072,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3OC)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,WJHDSYHOAFPJRO-UHFFFAOYSA-N
-rxn:5:178295:227023:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C(C)N(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BBRULDZTKLEUAX-UHFFFAOYSA-N
-rxn:5:178295:227025:226059,CCc1ncc(C2CC2)cc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,UXEKNWPRBDIQJE-UHFFFAOYSA-N
-rxn:5:178295:227038:227984,COC(=O)C1(c2cc(-c3ccc(OC)c(C)c3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,YWHVWTVISKUZNG-UHFFFAOYSA-N
-rxn:5:178295:227038:228277,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,SPFLRNFNGIRBDU-UHFFFAOYSA-N
-rxn:5:178295:227039:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(OC(C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZGHZXALXFWKPSP-UHFFFAOYSA-N
-rxn:5:178295:227051:228361,CCC(=O)c1ccc(-c2ccc(-c3cc(N(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,SJJDVXBVVTVGTA-UHFFFAOYSA-N
-rxn:5:178295:227052:227696,COC(=O)c1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,QLGOTGARWASZGF-UHFFFAOYSA-N
-rxn:5:178295:227065:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,BNLQMPBBUILPLY-UHFFFAOYSA-N
-rxn:5:178295:227072:228261,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3C)ccc2-c2ccc(C3CC3)cc2OC)CCC(=O)CC1,ZBQUTJNXTWRXPM-UHFFFAOYSA-N
-rxn:5:178295:227075:228160,CCOc1cccc(F)c1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GHUHKJKMHPIHQL-UHFFFAOYSA-N
-rxn:5:178295:227076:223435,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)[nH]3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AULLTZRPBCRMIU-UHFFFAOYSA-N
-rxn:5:178295:227076:228445,CCC(C)c1ccc(F)c(-c2ccc(-c3c(F)cccc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WITWFQXSLZMVSO-UHFFFAOYSA-N
-rxn:5:178295:227077:227944,CCC(C)c1ccc(-c2ccc(-c3cncc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,ZXASCSXTUOEMOE-UHFFFAOYSA-N
-rxn:5:178295:227102:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JWNVHENFHYVZMX-UHFFFAOYSA-N
-rxn:5:178295:227102:227904,CCN(C)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,OIYXUFCJIKHDJO-UHFFFAOYSA-N
-rxn:5:178295:227102:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CVQOPAMIHNDVEZ-UHFFFAOYSA-N
-rxn:5:178295:227108:227816,CCCc1ccc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,DVBFASCCXWLFGP-UHFFFAOYSA-N
-rxn:5:178295:227108:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C3CCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,UZWZTOJPWWUZHB-UHFFFAOYSA-N
-rxn:5:178295:227108:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZLGKEHFHRYHRAE-UHFFFAOYSA-N
-rxn:5:178295:227124:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,XMKPWMXAMAALHR-UHFFFAOYSA-N
-rxn:5:178295:227124:227816,CCCc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JCRDFUSFXFNZDF-UHFFFAOYSA-N
-rxn:5:178295:227207:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,HBUJTLSNWNPPKY-UHFFFAOYSA-N
-rxn:5:178295:227283:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C#N)nc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OENAUKLULJGGAP-UHFFFAOYSA-N
-rxn:5:178295:227286:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,FLDXJBJZNHAKQB-UHFFFAOYSA-N
-rxn:5:178295:227287:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,GZRHHXDYWOYDLJ-UHFFFAOYSA-N
-rxn:5:178295:227288:228119,COC(=O)C1(c2cc(-c3ccc(SC(C)C)nc3)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,DLQMYQKDUCPEOS-UHFFFAOYSA-N
-rxn:5:178295:227309:227834,CCC(C)c1cc(-c2ccc(-c3ccc(C4CC4)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,ABZFHOWZECIFAI-UHFFFAOYSA-N
-rxn:5:178295:227309:228868,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)OC)s3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,WSZHZDHIRRQEES-UHFFFAOYSA-N
-rxn:5:178295:227311:228219,CCC(C)c1cc(F)c(-c2ccc(-c3cnc(C(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,NXLGUIFLLAMTIN-UHFFFAOYSA-N
-rxn:5:178295:227311:228411,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(OC)c(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,IZXGIRKIJNDHNZ-UHFFFAOYSA-N
-rxn:5:178295:227312:227985,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,QMGCLRHWTLNXKG-UHFFFAOYSA-N
-rxn:5:178295:227314:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,CJJJZJZUOWRPMY-UHFFFAOYSA-N
-rxn:5:178295:227325:227816,CCCc1ccc(-c2ccc(-c3ccc(OC(C)(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,DILSYJZRUDSFBX-UHFFFAOYSA-N
-rxn:5:178295:227325:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,BOEOXRXGIWVXQQ-UHFFFAOYSA-N
-rxn:5:178295:227336:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(F)cc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,KWMHYNXJNKZGDU-UHFFFAOYSA-N
-rxn:5:178295:227346:228242,CCCc1cc(F)c(-c2ccc(-c3cc(C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,SZZCKWYXVVFBFU-UHFFFAOYSA-N
-rxn:5:178295:227353:228006,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3C)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,YMWSCYOAMUYWIC-UHFFFAOYSA-N
-rxn:5:178295:227369:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2cc(F)ccc2OC2CC2)CCC(=O)CC1,DZKXWHFEJPWEPM-UHFFFAOYSA-N
-rxn:5:178295:227513:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2cc(C)c(OC)nc2OC)CCC(=O)CC1,LQZASLVQPUEKPJ-UHFFFAOYSA-N
-rxn:5:178295:227513:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2cc(C)c(OC)nc2OC)CCC(=O)CC1,DJCIRAZINCYGMH-UHFFFAOYSA-N
-rxn:5:178295:227525:227045,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,BUGAZISBEOYVMU-UHFFFAOYSA-N
-rxn:5:178295:227530:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XNSGEWJWWYQFHI-UHFFFAOYSA-N
-rxn:5:178295:227540:228013,COC(=O)C1(c2cc(-c3ccc(F)c(C4CC4)c3)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,CDNCQUMARALHOS-UHFFFAOYSA-N
-rxn:5:178295:227568:228261,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3C)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,PQOZVARNDDKBKH-UHFFFAOYSA-N
-rxn:5:178295:227675:228142,CCCc1cc(-c2ccc(-c3cc(OC)c(C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,IJNBORXWIHLPBV-UHFFFAOYSA-N
-rxn:5:178295:227807:227063,COC(=O)C1(c2cc(-c3ccc(C)cc3OC(C)C)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,OXWNLFPKAIXOLN-UHFFFAOYSA-N
-rxn:5:178295:227810:227018,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ILDAPKMXMUKRTC-UHFFFAOYSA-N
-rxn:5:178295:227810:227309,CCC(C)c1ccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VWKQRXRDPXUKRK-UHFFFAOYSA-N
-rxn:5:178295:227812:223215,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)CC4)ccc2-c2cccc(CC(C)C)c2)CCC(=O)CC1,VLVGKVPYLLONDB-UHFFFAOYSA-N
-rxn:5:178295:227815:227326,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,FVSGQXVJBSKRPH-UHFFFAOYSA-N
-rxn:5:178295:227818:226085,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AXWXBHCWBHRGIV-UHFFFAOYSA-N
-rxn:5:178295:227821:227313,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(C)CC)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,KFEUKZNEKZXHEX-UHFFFAOYSA-N
-rxn:5:178295:227831:227048,CCc1c(C)cc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,ICNFRCOXVLJTMH-UHFFFAOYSA-N
-rxn:5:178295:227833:227352,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)ccc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,PDFGAOWIMXTYIS-UHFFFAOYSA-N
-rxn:5:178295:227839:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(C)cccc2C2CC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,DDYGJRGXWRUVAI-UHFFFAOYSA-N
-rxn:5:178295:228005:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,CSKXXJLCEZLBCN-UHFFFAOYSA-N
-rxn:5:178295:228006:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC)c(C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,VCMLPPBDMQZKRO-UHFFFAOYSA-N
-rxn:5:178295:228007:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(F)ccc2C2CC2)CCC(=O)CC1,SAXRTBYNGVFXBZ-UHFFFAOYSA-N
-rxn:5:178295:228079:226922,COC(=O)C1(c2cc(-c3c(C)cc(C4CC4)cc3C)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,BIJPJMWKMKXVSG-UHFFFAOYSA-N
-rxn:5:178295:228125:227312,CCC(C)c1ccc(-c2ccc(-c3ccnc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,OYRJZZBHYDXFHA-UHFFFAOYSA-N
-rxn:5:178295:228141:227038,CCCc1cc(F)c(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,SBBNVTCXFQCFQX-UHFFFAOYSA-N
-rxn:5:178295:228141:227051,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)CC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LCMJGKBPTMCUKV-UHFFFAOYSA-N
-rxn:5:178295:228146:226191,CCc1cncc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,AWEHBVNHAPDWLS-UHFFFAOYSA-N
-rxn:5:178295:228156:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,REWAVSKHFYUNGN-UHFFFAOYSA-N
-rxn:5:178295:228177:227530,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZWFLRCXREKBWPV-UHFFFAOYSA-N
-rxn:5:178295:228178:227408,COCc1ccc(F)c(-c2ccc(-c3cc(C4CCC4)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RBNWEZQIOQNSSS-UHFFFAOYSA-N
-rxn:5:178295:228179:225591,COCc1cc(F)cc(-c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RHBWCXRKCVEJFO-UHFFFAOYSA-N
-rxn:5:178295:228180:227530,COCc1cc(-c2ccc(-c3cc(C(=O)OC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,TYUXMAIDBXBWHL-UHFFFAOYSA-N
-rxn:5:178295:228220:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(C(C)C)ncc2F)CCC(=O)CC1,PFCMGFJKQZZMAT-UHFFFAOYSA-N
-rxn:5:178295:228239:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(C)c(OC)nc2C)CCC(=O)CC1,GBLDGSZLZMREGC-UHFFFAOYSA-N
-rxn:5:178295:228257:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,OKNMAHQEXQUPHR-UHFFFAOYSA-N
-rxn:5:178295:228257:227329,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3OC)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,XUMYUZUVJGITDU-UHFFFAOYSA-N
-rxn:5:178295:228275:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,NUOHIMATTJRXQH-UHFFFAOYSA-N
-rxn:5:178295:228315:227346,CCCc1cc(F)c(-c2ccc(-c3cc(OCC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,AVJHAICNTFPJCF-UHFFFAOYSA-N
-rxn:5:178295:228320:227052,COC(=O)c1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,QKZIPYPKEBFIOT-UHFFFAOYSA-N
-rxn:5:178295:228431:223229,COC(=O)C1(c2cc(-c3cc(NC(C)=O)ccc3C)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,GRODLFVCDCTIHF-UHFFFAOYSA-N
-rxn:5:178295:228431:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,BEGWQZCJCIHCNW-UHFFFAOYSA-N
-rxn:5:178295:228431:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,XTAUYRFGOYFEGJ-UHFFFAOYSA-N
-rxn:5:178295:228437:227512,COC(=O)c1cc(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)cn1,QMOVWBRFKFQREU-UHFFFAOYSA-N
-rxn:5:178295:228447:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2cccc(C(F)F)c2F)CCC(=O)CC1,LQWZUGWMYHRDMD-UHFFFAOYSA-N
-rxn:5:178295:228467:228142,CCCc1cc(-c2ccc(-c3cc(C(=O)OC)sc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,AQCFXAQBRPETJG-UHFFFAOYSA-N
-rxn:5:178295:228504:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cccc3c2CCC3)CCC(=O)CC1,MDEJLKILUAJSFP-UHFFFAOYSA-N
-rxn:5:178295:228517:226067,CC#Cc1ccccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,OERXYJGGMPSIOB-UHFFFAOYSA-N
-rxn:5:178295:228546:226769,CCCc1cnccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,IZJAYXBMTKHMOP-UHFFFAOYSA-N
-rxn:5:178295:228551:226589,CCCc1ncccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,DXJRRLNAUZZTRT-UHFFFAOYSA-N
-rxn:5:178295:228779:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2cc(F)ccc2OC)CCC(=O)CC1,JCKCXLRCHIVXGQ-UHFFFAOYSA-N
-rxn:5:179418:225607:222980,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCCCC1,QIXLJJGDGLUYIM-UHFFFAOYSA-N
-rxn:5:179629:225633:222989,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1C,ZYZWWPQYNFHYPI-UHFFFAOYSA-N
-rxn:5:179629:225633:223002,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(C2CCNCC2)cc1F,LRVIEEWQJNEATK-UHFFFAOYSA-N
-rxn:5:179629:225633:223007,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1cc(F)cc(C2CCNCC2)c1,DEYQHQYBMGKAME-UHFFFAOYSA-N
-rxn:5:179629:225633:223008,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1cc(C2CCNCC2)ccc1F,MRBLJZFIXMJYDX-UHFFFAOYSA-N
-rxn:5:179629:225633:223061,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1cc(C2CCNCC2)ncc1F,ILVYIWJMWWSNLK-UHFFFAOYSA-N
-rxn:5:179629:225633:223062,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,XNPPEGGZYNOSAU-UHFFFAOYSA-N
-rxn:5:179629:225634:222980,COc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCNCC2)cc1,DAZJXVOMVQTJST-UHFFFAOYSA-N
-rxn:5:179629:225636:222980,COc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCNCC2)cc1,VYEFNVNBGDDDPM-UHFFFAOYSA-N
-rxn:5:179629:225636:223006,COc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1ccc(F)c(C2CCNCC2)c1,YCAJDDFACIFXKQ-UHFFFAOYSA-N
-rxn:5:179629:225638:222980,COc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(S(C)(=O)=O)c1-c1ccc(CN2CCNCC2)cc1,QQTXMZWAXUBLKK-UHFFFAOYSA-N
-rxn:5:179629:225638:223065,COc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1F,ICDSHKZSARYPGG-UHFFFAOYSA-N
-rxn:5:179629:225639:222980,COc1ccc(-c2cccnc2N2CCC(C)CC2)c(S(C)(=O)=O)c1-c1ccc(CN2CCNCC2)cc1,QPNLZEFHRALWDM-UHFFFAOYSA-N
-rxn:5:179629:225655:222980,COc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCNCC2)cc1,YNGJSXSMUCRNKS-UHFFFAOYSA-N
-rxn:5:179629:225655:223006,COc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1ccc(F)c(C2CCNCC2)c1,SDLCAMGDVSBUJI-UHFFFAOYSA-N
-rxn:5:179629:225666:222960,COc1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(S(C)(=O)=O)c1-c1cc(C)cc(C2CCNCC2)c1,VZTLMKUXBMSQGB-UHFFFAOYSA-N
-rxn:5:179629:225666:223062,COc1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(S(C)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,OOBFBFBVBOSLHD-UHFFFAOYSA-N
-rxn:5:179629:225674:222989,COc1ccc(-c2cnc(C3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1C,DVFDQPMQERLRJO-UHFFFAOYSA-N
-rxn:5:179629:225679:222960,COc1ccc(-c2ccc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(C)cc(C2CCNCC2)c1,ZJSBTRPLHBVSJV-UHFFFAOYSA-N
-rxn:5:179629:225679:222988,COc1ccc(-c2ccc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(C)nc(C2CCNCC2)c1,LVZLNQHIVAMLMM-UHFFFAOYSA-N
-rxn:5:179629:225804:225849,COc1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,IXCWSULBAYKOON-UHFFFAOYSA-N
-rxn:5:179629:225831:225849,COc1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,AQYSBQRYFLYLTD-UHFFFAOYSA-N
-rxn:5:179629:225833:225987,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,AZJSUPRMLGRZFC-UHFFFAOYSA-N
-rxn:5:179629:225849:225871,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cccc(N2C(=O)C=CC2=O)c1,NORIUJZTOUSYKV-UHFFFAOYSA-N
-rxn:5:179629:225849:225976,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCOCC2)c1F,RRBZTFGIZIEMPB-UHFFFAOYSA-N
-rxn:5:179839:225833:225982,COc1c(C(C)=O)cc(-c2cnc(N3CCOCC3)cc2F)c(C)c1-c1ccnc(N2CCCCC2)c1F,OBRYPEGJLPYCAX-UHFFFAOYSA-N
-rxn:5:179839:225834:225849,COc1c(C(C)=O)cc(-c2cnc(N3CCCCC3)cc2F)c(C)c1-c1cc(N2CCCCC2)ncc1F,KYMXXHIAIIOCLR-UHFFFAOYSA-N
-rxn:5:179839:225849:225834,COc1c(C(C)=O)cc(-c2cc(N3CCCCC3)ncc2F)c(C)c1-c1cnc(N2CCCCC2)cc1F,UVODFHRHQCIYMV-UHFFFAOYSA-N
-rxn:5:179839:225982:225849,COc1c(C(C)=O)cc(-c2cnc(N3CCCCC3)cc2F)c(C)c1-c1cnc(N2CCOCC2)cc1F,QQOHVFITDNIPMY-UHFFFAOYSA-N
-rxn:5:180020:225833:225985,O=C1CCCC1Oc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccnc(N2CCCCC2)c1F,XWFLEZGPYULABA-UHFFFAOYSA-N
-rxn:5:180022:223001:226182,COc1c(-c2cccnc2C2CCCCC2)ccc(-c2cc(C3CCCNC3)ccc2F)c1C1OCCO1,IGMKAFDVTNKNCM-UHFFFAOYSA-N
-rxn:5:180092:222405:226031,C[Si](C)(C)C#Cc1cc(-c2cccc(C3NC(=O)NC3=O)c2)cc(-c2ccc(C(F)(F)F)cc2C(F)F)c1,ZSUHBBQVEKTEEM-UHFFFAOYSA-N
-rxn:5:180092:225639:222995,CC1CCN(c2ncccc2-c2cc(C#C[Si](C)(C)C)cc(-c3cccc(N4CCCC(O)C4)c3)c2)CC1,WYBKFFDUAIMMAM-UHFFFAOYSA-N
-rxn:5:180095:225634:225931,Cc1cc(-c2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2OC2CCCC2)cc(S(=O)(=O)N(C)C)c1,QZNVTVXQGRZXNP-UHFFFAOYSA-N
-rxn:5:180097:225634:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(OC3CCCC3)cc(-c3cnc(N4CCCCC4)c(C)c3)c2)c1,UJHPBGJSYNIQDS-UHFFFAOYSA-N
-rxn:5:180098:225633:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(OC2CCCC2)c1,MQNLFBMKMFPSNL-UHFFFAOYSA-N
-rxn:5:180098:225634:225931,Cc1cc(-c2ccc(-c3cnc(N4CCCCC4)c(C)c3)c(OC3CCCC3)c2)cc(S(=O)(=O)N(C)C)c1,KTLVFWFXIMVDNQ-UHFFFAOYSA-N
-rxn:5:180098:225639:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cccnc2N2CCC(C)CC2)c(OC2CCCC2)c1,FHTGNIGXKXZEMN-UHFFFAOYSA-N
-rxn:5:180402:225515:226058,CC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc3c2OCC(C)(C)CO3)ccc1C(=O)C1CCCCC1,FSRUPRVRHDUIBI-UHFFFAOYSA-N
-rxn:5:180421:223135:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cccnc1C1CCCNC1,YDPBLWFVKRLCCY-UHFFFAOYSA-N
-rxn:5:180422:225639:225985,CC1CCN(c2ncccc2-c2ccc(CC3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,NJSPOXNFRKHFEX-UHFFFAOYSA-N
-rxn:5:180422:225655:225985,CC1CCN(c2cncc(-c3ccc(CC4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,CMVYKXXSFGEUHR-UHFFFAOYSA-N
-rxn:5:180662:225926:223242,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,HMQZGKVVXSTLHY-UHFFFAOYSA-N
-rxn:5:180662:227710:222957,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,ZBMQBIPSSOGANL-UHFFFAOYSA-N
-rxn:5:180662:227710:222960,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,BFMCIJUTJIBSJB-UHFFFAOYSA-N
-rxn:5:181907:223136:225832,Cc1cc(-c2ccncc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,DHYDGWJMGWDUQX-UHFFFAOYSA-N
-rxn:5:181908:222987:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)nc2C)cc1C1CCNCC1,BKSQQZLVIXCIQE-UHFFFAOYSA-N
-rxn:5:188868:226661:222998,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(C3CCCNC3)c2)c1-c1cc(N2CCN(C)CC2)cs1,BGACKGRDMBLZPP-UHFFFAOYSA-N
-rxn:5:188868:226662:222998,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(C3CCCNC3)c2)c1-c1ccc(N2CCN(C)CC2)s1,NRPZMNXNNHRPQY-UHFFFAOYSA-N
-rxn:5:188868:226662:223007,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(C3CCNCC3)c2)c1-c1ccc(N2CCN(C)CC2)s1,SIBLKRFZDFYNOP-UHFFFAOYSA-N
-rxn:5:188930:226139:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cncnc1C1CCCCC1,IVLXHUDHGRXZGN-UHFFFAOYSA-N
-rxn:5:188932:222981:227491,COC(=O)c1cc(-c2cnc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(NC3CCCCC3)c2)c1,OLVXNWZXWWKGGH-UHFFFAOYSA-N
-rxn:5:188932:226139:226321,COC(=O)c1cc(-c2ccc(SC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,QHDHUIUQRSEEIA-UHFFFAOYSA-N
-rxn:5:188932:226181:223135,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,ILNIPOASECRDPO-UHFFFAOYSA-N
-rxn:5:188932:226181:226382,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,FVEKNPJMJYQUQS-UHFFFAOYSA-N
-rxn:5:188932:226572:226181,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCC3)nc2)c1,XPFGGXDXQROZPN-UHFFFAOYSA-N
-rxn:5:188932:226572:226323,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCC3)nc2)c1,LHMPHRZVUSATER-UHFFFAOYSA-N
-rxn:5:189079:226662:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,NFKYLUHNRPVACI-UHFFFAOYSA-N
-rxn:5:189207:223065:228306,CC(C)Sc1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,ZSLVBPOXWMAMIU-UHFFFAOYSA-N
-rxn:5:189207:226441:228306,CC(C)Sc1ncc(-c2ccc(-c3ccc(N4CCCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,CGFCTQMQPXNHEB-UHFFFAOYSA-N
-rxn:5:189207:228824:223064,Cc1cc(F)c(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c(F)c1,OWPKZADNWTUITM-UHFFFAOYSA-N
-rxn:5:189207:228925:223002,CSc1cnc(F)c(-c2ccc(-c3ccc(C4CCNCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1,WKQCYWTVYVGXRG-UHFFFAOYSA-N
-rxn:5:189208:226068:227813,CCc1cccc(CC)c1-c1cc(-c2c(C)cc(C(C)(C)C)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,RLDVALHPXIUFEM-UHFFFAOYSA-N
-rxn:5:189209:223313:223063,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3(O)CC3)cc2)cc(-c2cc(F)nc(C3CCNCC3)c2)c1,IXXZCAULVPZDNO-UHFFFAOYSA-N
-rxn:5:189209:225602:229079,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4csc(C5CC5)n4)c3)c2)CCC1,SDRQKEHBJOPCHG-UHFFFAOYSA-N
-rxn:5:189209:228929:223063,O=C(ON1C(=O)CCC1=O)c1cc(-c2cncc(C(F)F)c2)cc(-c2cc(F)nc(C3CCNCC3)c2)c1,UERIJVHLNPYQGS-UHFFFAOYSA-N
-rxn:5:189211:228890:222989,Cc1cc(N2CCNCC2)ccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cnc(F)c(C#N)c1,VQWZYRMAPLBRRB-UHFFFAOYSA-N
-rxn:5:189211:228929:223058,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cncc(C(F)F)c2)c1-c1cc(F)nc(C2CCCNC2)c1,UXPCBEZHAWAARA-UHFFFAOYSA-N
-rxn:5:189212:223065:228306,CC(C)Sc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCNCC3)cc2F)cn1,SZONOAWDAUJJCV-UHFFFAOYSA-N
-rxn:5:189212:226320:228876,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnn(C4CC4F)c3)c2)CC1,WOZUKKCNAQZJBF-UHFFFAOYSA-N
-rxn:5:189212:228306:223065,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2F)cn1,SRXUJODQJCGYCY-UHFFFAOYSA-N
-rxn:5:189212:228921:223063,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(C(F)F)nc2)c1,JAFBUEDDHBQKEX-UHFFFAOYSA-N
-rxn:5:189212:229085:225602,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3scnc3C3CC3)c2)CCC1,WGEMHOKCRRPYTF-UHFFFAOYSA-N
-rxn:5:189513:225634:225634,Cc1cc(-c2ccc(S(=O)(=O)c3cc(-c4cnc(N5CCCCC5)c(C)c4)ccc3[N+](=O)[O-])cc2)cnc1N1CCCCC1,NDHNUVPTCSRBHJ-UHFFFAOYSA-N
-rxn:5:189665:225515:227710,CC1(C)COc2cccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2OC1,OAWWDKZKNPLPQP-UHFFFAOYSA-N
-rxn:5:189665:225805:227710,CC(c1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,HXNLVGHBCMXKBX-UHFFFAOYSA-N
-rxn:5:189829:222421:225834,COc1c(-c2cncc(S(N)(=O)=O)c2)cc(C(=O)N2CCCC2)cc1-c1cc(N2CCCCC2)ncc1F,OIPBACIMRYJVGH-UHFFFAOYSA-N
-rxn:5:189908:225499:227561,COc1cc(F)c(-c2ncc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCCCC2)cc1OC,BZIGUQMPILZNOV-UHFFFAOYSA-N
-rxn:5:189908:225499:227587,COc1cc(-c2ncc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCCCC2)cc(F)c1OC,BXIQYDQXUKEZEH-UHFFFAOYSA-N
-rxn:5:189908:225985:227769,COc1ncc([N+](=O)[O-])cc1-c1ncc(-c2cccc(N3CCCS3(=O)=O)c2)cc1OCC1CCCCC1,PKRKRLFCKFGGNN-UHFFFAOYSA-N
-rxn:5:190128:227935:226059,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(C(C)C)cc2C(C)C)ccc1OC,SVRGSBZOMQTLEP-UHFFFAOYSA-N
-rxn:5:190194:223006:223388,COC1CCN(Cc2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2-c2ccc(S(=O)(=O)O)cc2)CC1,SVYSQRLMZHTYMB-UHFFFAOYSA-N
-rxn:5:190194:223065:223388,COC1CCN(Cc2cccc(-c3ccc(N4CCNCC4)cc3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,JTJFXBXVZSTIDD-UHFFFAOYSA-N
-rxn:5:190194:223388:223006,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccc(F)c(C3CCNCC3)c2)CC1,AXZXKVZMEWHUDB-UHFFFAOYSA-N
-rxn:5:190194:227574:225588,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2CN2CCSCC2)c1OC,XXSVRBOZIZANKW-UHFFFAOYSA-N
-rxn:5:190194:227935:225472,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(N3CCCCC3C)c2)ccc1OC,PYLRAVGOEDKYKV-UHFFFAOYSA-N
-rxn:5:190309:223388:225639,CC1CCN(c2ncccc2-c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2CCN2CCCCC2C)CC1,FTYKTDBVUBIGDC-UHFFFAOYSA-N
-rxn:5:190484:226059:227970,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)(C)C)S(=O)(=O)CC3)c2)c(C(C)C)c1,PHWZGOWEYPCQIT-UHFFFAOYSA-N
-rxn:5:190484:226926:227503,Cc1cc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(OC(C)C)ncc3F)S(=O)(=O)CC2)c1,MBYIORYMTOTOIT-UHFFFAOYSA-N
-rxn:5:190484:227965:227124,Cc1ccnc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)CC2)c1,RWUMLKDMQLDECB-UHFFFAOYSA-N
-rxn:5:190484:228220:227412,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c(F)cn1,XXZNSZGYTNHAJU-UHFFFAOYSA-N
-rxn:5:190596:225607:225976,CCOC(=O)c1cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,VHMQSPZJVLUFIS-UHFFFAOYSA-N
-rxn:5:190596:225805:225976,CCOC(=O)c1cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,AERLVEUUDNYKBH-UHFFFAOYSA-N
-rxn:5:190740:223004:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)c(F)c3)cc2c1-c1cnc(OC2CCCCC2)nc1,UJCFUANXPNWWLQ-UHFFFAOYSA-N
-rxn:5:190740:225794:223004,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCCC4)nc3)cc2c1-c1ccc(C2CCNCC2)c(F)c1,MEQWHWRADUFKAI-UHFFFAOYSA-N
-rxn:5:190740:225806:225636,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCC4)cc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,JYLSQXDAMRUENE-UHFFFAOYSA-N
-rxn:5:190740:225833:225803,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(OC2CCOCC2)c1,HYOMVLKBNVSQDU-UHFFFAOYSA-N
-rxn:5:190740:225976:225597,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(OC2CCCCC2)nc1,FEFADVDVULQCIL-UHFFFAOYSA-N
-rxn:5:190740:225976:225613,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(OC2CCCCC2)c1,JCILHKDWVJQWHA-UHFFFAOYSA-N
-rxn:5:190740:225976:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,OYPHUICHZXUNEA-UHFFFAOYSA-N
-rxn:5:190740:225976:225638,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCC(C)CC2)nc1,OEVWCNXZQJWFJW-UHFFFAOYSA-N
-rxn:5:190740:225976:225639,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cccnc1N1CCC(C)CC1,DPKLTPFGKALDFJ-UHFFFAOYSA-N
-rxn:5:190740:225976:225641,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,UTBXZLWHYVDLDY-UHFFFAOYSA-N
-rxn:5:190740:225976:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cnc(OC2CCCCC2)nc1,OQKKGVHPYVCIJW-UHFFFAOYSA-N
-rxn:5:190740:225976:225803,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(OC2CCOCC2)c1,IGOCZHFVGXPGJT-UHFFFAOYSA-N
-rxn:5:190740:225982:225600,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cccnc1OC1CCCCC1,IUTVDZIHONCLNP-UHFFFAOYSA-N
-rxn:5:190740:225982:225613,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,KGRRGOKQDCLWFX-UHFFFAOYSA-N
-rxn:5:190740:225982:225636,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,YRZJCAJBACSROF-UHFFFAOYSA-N
-rxn:5:190740:225982:225639,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cccnc1N1CCC(C)CC1,KWKSYBZPRGRLSB-UHFFFAOYSA-N
-rxn:5:190740:225982:225803,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(OC2CCOCC2)c1,FAXYADVMYDRIED-UHFFFAOYSA-N
-rxn:5:190741:223004:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(F)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,ZKESILLYPDMSBE-UHFFFAOYSA-N
-rxn:5:190741:223062:225600,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,HODWCXAPSBMHIX-UHFFFAOYSA-N
-rxn:5:190741:223062:225613,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,LOLGDCMSPQYGHW-UHFFFAOYSA-N
-rxn:5:190741:223064:225600,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,DDJRWLMRZYRHOB-UHFFFAOYSA-N
-rxn:5:190741:223064:225613,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,WMUQLKBDTCHXGB-UHFFFAOYSA-N
-rxn:5:190741:223065:225600,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,PRGCCGZURCUJQN-UHFFFAOYSA-N
-rxn:5:190741:223065:225636,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,VGKLXRYVTRCBCW-UHFFFAOYSA-N
-rxn:5:190741:223065:225641,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,QPWSQNJRTICTGH-UHFFFAOYSA-N
-rxn:5:190741:223065:225794,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,NRNXWNFOSQBXTI-UHFFFAOYSA-N
-rxn:5:190741:225794:223004,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)cc(C)cc2c1-c1ccc(C2CCNCC2)c(F)c1,JHANDKHALMNARD-UHFFFAOYSA-N
-rxn:5:190741:225806:225636,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,ADZVKGLUBBOFRG-UHFFFAOYSA-N
-rxn:5:190741:225833:225803,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,ZTKIVYAQCVTTAO-UHFFFAOYSA-N
-rxn:5:190741:225868:225794,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)c(F)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,NNIKPWYHSBPJEN-UHFFFAOYSA-N
-rxn:5:190741:225976:225597,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(OC2CCCCC2)nc1,FXRZNSFMJLFTHF-UHFFFAOYSA-N
-rxn:5:190741:225976:225600,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,BURZHIACYTYRKT-UHFFFAOYSA-N
-rxn:5:190741:225976:225613,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,YQPGBABFOGTLDL-UHFFFAOYSA-N
-rxn:5:190741:225976:225636,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,YUIOTEBVJKEADG-UHFFFAOYSA-N
-rxn:5:190741:225976:225638,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,DMRXRBDIDRKLOO-UHFFFAOYSA-N
-rxn:5:190741:225976:225639,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,HDAKAOPUDCXQNL-UHFFFAOYSA-N
-rxn:5:190741:225976:225641,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,MTADYYQGXYZDQD-UHFFFAOYSA-N
-rxn:5:190741:225976:225794,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,FRFPBGSHLJXMBD-UHFFFAOYSA-N
-rxn:5:190741:225978:225600,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,FZDUBFVABLGFEJ-UHFFFAOYSA-N
-rxn:5:190741:225978:225613,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,GYLOZLOXNOIYLF-UHFFFAOYSA-N
-rxn:5:190741:225978:225636,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,ZEOKTBMEEABZGI-UHFFFAOYSA-N
-rxn:5:190741:225978:225639,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,ODTVSVQXQQELGN-UHFFFAOYSA-N
-rxn:5:190741:225982:225600,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,NCFYLJMMEPVHOG-UHFFFAOYSA-N
-rxn:5:190741:225982:225613,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,WTEZYQRNFHYSBA-UHFFFAOYSA-N
-rxn:5:190741:225982:225636,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,QRCVVGNYANGGPO-UHFFFAOYSA-N
-rxn:5:190741:225982:225641,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,CXYHWLMAJKOWTG-UHFFFAOYSA-N
-rxn:5:190741:226427:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,OKJANEWXCOYUME-UHFFFAOYSA-N
-rxn:5:190742:223004:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)c(F)c3)c2c1-c1cnc(OC2CCCCC2)nc1,VLAZUOFQXMKXJY-UHFFFAOYSA-N
-rxn:5:190742:223065:225637,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccccc1N1CCN(C)CC1,CVYHAWZOUCVVLG-UHFFFAOYSA-N
-rxn:5:190742:225794:223004,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCCC4)nc3)c2c1-c1ccc(C2CCNCC2)c(F)c1,ZAGJGFWVPKKAPA-UHFFFAOYSA-N
-rxn:5:190742:225976:225600,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cccnc1OC1CCCCC1,AUZABVBYLAQBCC-UHFFFAOYSA-N
-rxn:5:190742:225976:225613,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(OC2CCCCC2)c1,WXEWDYJUNZMKNE-UHFFFAOYSA-N
-rxn:5:190742:225982:225600,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cccnc1OC1CCCCC1,JMJLYYDPJMMSCX-UHFFFAOYSA-N
-rxn:5:190742:225982:225613,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(OC2CCCCC2)c1,CSSADIPKZGGHCH-UHFFFAOYSA-N
-rxn:5:190742:226654:223065,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(N2CCNCC2)cc1F,NZXBJZWWYOSKGZ-UHFFFAOYSA-N
-rxn:5:190742:226654:225833,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccnc(N2CCCCC2)c1F,KSPZLBCKGJBIFT-UHFFFAOYSA-N
-rxn:5:190743:225794:223004,CCOC(=O)c1cnc2c(C)c(-c3cnc(OC4CCCCC4)nc3)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,FXVWFKYTWBQCLI-UHFFFAOYSA-N
-rxn:5:190744:223004:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(F)c3)c(C)ccc2c1-c1cnc(OC2CCCCC2)nc1,RWMJYIGJKQLFMR-UHFFFAOYSA-N
-rxn:5:190744:225868:225794,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)c(F)c3)c(C)ccc2c1-c1cnc(OC2CCCCC2)nc1,FOJQQIPNJORFCX-UHFFFAOYSA-N
-rxn:5:190859:227048:223285,CC(C)C(=O)c1ccc(-c2ccc3c(c2-c2ccccc2NS(C)(=O)=O)CCN3C(=O)OC(C)(C)C)cc1,UNAFLFHKKGQAIV-UHFFFAOYSA-N
-rxn:5:190998:227313:226926,CCC(C)c1cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)c(F)cn1,HQYPUYSRESHXPL-UHFFFAOYSA-N
-rxn:5:191026:227076:227906,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccnc4C(C)CC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HNODZGHISYVOCO-UHFFFAOYSA-N
-rxn:5:191026:227076:227955,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cnc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,GLZFHVCKZORQFL-UHFFFAOYSA-N
-rxn:5:191026:227815:226926,CCC(C)c1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,QUCRPGNXMHBPRV-UHFFFAOYSA-N
-rxn:5:191026:227831:227065,CCc1c(C)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(=O)C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1C,GKPDRPPVWVANST-UHFFFAOYSA-N
-rxn:5:191026:227917:226058,CCc1ccc(OC)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C(C)C)cccc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,HCTNEXQRNIFEMB-UHFFFAOYSA-N
-rxn:5:191026:228567:227124,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3F)c1)C=C(C(=O)OC)S2(=O)=O,KDNDTYGWTXVFGV-UHFFFAOYSA-N
-rxn:5:193382:222998:223142,O=S(=O)(c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,QJEQNHCGRPUQJP-UHFFFAOYSA-N
-rxn:5:193382:223000:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)ccc1S(=O)(=O)N1CCOCC1,NPMXWGXNZGEHBY-UHFFFAOYSA-N
-rxn:5:193382:223063:223002,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,RFYOKTXFNORFDI-UHFFFAOYSA-N
-rxn:5:193382:223141:223134,O=S(=O)(c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1cnccc1C1CCCNC1)N1CCOCC1,CNOWQPZTLPRADE-UHFFFAOYSA-N
-rxn:5:193382:223142:225641,CC1CCCN(c2cc(-c3cc(-c4ccc(C5CCCNC5)nc4)ccc3S(=O)(=O)N3CCOCC3)ccn2)C1,KOIGIHKNSNFZND-UHFFFAOYSA-N
-rxn:5:193382:223240:223008,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)nc2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,LHZFTJDXIDRBOE-UHFFFAOYSA-N
-rxn:5:193382:225684:223199,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccc(C3CCNC3)c2)c1,IPRXCFPUDJNNET-UHFFFAOYSA-N
-rxn:5:193382:225805:223311,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNC4)c3)c2)s1)N1CCOCC1,FEXOLIFRQMPIAN-UHFFFAOYSA-N
-rxn:5:193382:225831:223062,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cnc1N1CCOCC1,HNSCMLBTOJCNLP-UHFFFAOYSA-N
-rxn:5:193382:225982:225638,CC1CCN(c2ccc(-c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3S(=O)(=O)N3CCOCC3)cn2)CC1,VCDFDQWQUXUOID-UHFFFAOYSA-N
-rxn:5:193382:226180:225683,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCOC4)nc3C)c2)cc(C2CCCC2)n1,CAKYSAVZWZBXJC-UHFFFAOYSA-N
-rxn:5:193463:225590:227587,COc1cc(-c2cc(-c3ccc(CN4CCCC4)c(F)c3)ccc2CN2CCC(=O)CC2)cc(F)c1OC,HIOKZHRSYMLDCV-UHFFFAOYSA-N
-rxn:5:193463:225594:227587,COc1cc(-c2cc(-c3ccc(F)cc3CN3CCCC3)ccc2CN2CCC(=O)CC2)cc(F)c1OC,NHAWLAYEPCBKSO-UHFFFAOYSA-N
-rxn:5:193506:223065:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cc(C3CC3)cs2)CC1,UDNRHQRPUZYSBZ-UHFFFAOYSA-N
-rxn:5:193506:223065:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(C3CC3)s2)CC1,CYAATNCXDMBSKX-UHFFFAOYSA-N
-rxn:5:193506:225872:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,ACVBYVZTZYZFPN-UHFFFAOYSA-N
-rxn:5:193506:226664:228628,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cc(C3CCC3)cs2)CC1,XVPBAMOZZJNTCD-UHFFFAOYSA-N
-rxn:5:193506:227980:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2csc(N3CCNCC3)n2)CC1,SEMUDKASFSWXNV-UHFFFAOYSA-N
-rxn:5:193506:227997:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2csc(N3CCNCC3)n2)CC1,TVDPZLXKRLKUOP-UHFFFAOYSA-N
-rxn:5:193506:228007:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3C3CC3)cc2-c2csc(N3CCNCC3)n2)CC1,NOLQDKBOYBHDNK-UHFFFAOYSA-N
-rxn:5:193506:228013:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C4CC4)c3)cc2-c2csc(N3CCNCC3)n2)CC1,OYWDKMKRXPQOEJ-UHFFFAOYSA-N
-rxn:5:193506:228020:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2csc(N3CCNCC3)n2)CC1,CFMHAVXXHRZILP-UHFFFAOYSA-N
-rxn:5:193506:229085:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3scnc3C3CC3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,CFSUZJYCCDBRKZ-UHFFFAOYSA-N
-rxn:5:193756:225849:225592,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1cc(F)ccc1CN1CCCC1,OQHVAAJWYFELFI-UHFFFAOYSA-N
-rxn:5:193756:226324:226744,CCc1cc(-c2cc(-c3cccnc3OC3CCCC3)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,KWUIOCWXUNTUJN-UHFFFAOYSA-N
-rxn:5:193756:226747:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cnc(CC)c(C(F)(F)F)c2)ccc1C(=O)N1CCCCC1C,MJQYIGHNETWERG-UHFFFAOYSA-N
-rxn:5:193756:228320:225833,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4)c3F)c2)ccn1,HGXQHBQHOLJFHK-UHFFFAOYSA-N
-rxn:5:193808:225499:227371,COc1c(C)ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2CN2CCC(C)CC2)c1OC,JIMPDBYWICVJSJ-UHFFFAOYSA-N
-rxn:5:193869:225633:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)ccn1,NMZPVIXBUIJMCQ-UHFFFAOYSA-N
-rxn:5:193869:225636:227285,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1C1CC1,JLHCTVIXVYYOQH-UHFFFAOYSA-N
-rxn:5:193869:226181:227867,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCCC2,FWKCSGUUBGPZIF-UHFFFAOYSA-N
-rxn:5:193869:226181:227868,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCCC2,RDHYUQPBYUTBJR-UHFFFAOYSA-N
-rxn:5:193869:226366:228158,CCOc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,IXPOQWIFAIVLID-UHFFFAOYSA-N
-rxn:5:193869:226366:228234,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C2CC2)ccnc1F,RDSZYUYQMZIUMM-UHFFFAOYSA-N
-rxn:5:193869:227867:226181,Cc1cc(-c2cccc3c2OCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,OPFQDYOEKFXSRZ-UHFFFAOYSA-N
-rxn:5:193869:227868:226181,Cc1cc(-c2ccc3c(c2)OCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,GWILYPKKBYUSDS-UHFFFAOYSA-N
-rxn:5:193869:228524:225679,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCC2)cc1F,BKZRWDICDGMNFL-UHFFFAOYSA-N
-rxn:5:193869:228524:225833,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,MNRWEKWSHCWYNG-UHFFFAOYSA-N
-rxn:5:193870:225633:228504,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCC3)cc1-c1ccc(N2CCCCCC2)nc1,KEKQBGHEUGRVQZ-UHFFFAOYSA-N
-rxn:5:193870:225633:228588,CC#Cc1cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)ccn1,RSGXDQVAXJGVSF-UHFFFAOYSA-N
-rxn:5:193870:225679:228524,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCC3)cc1-c1ccc(N2CCCCC2)cc1F,DPOHFMXLLQFHCO-UHFFFAOYSA-N
-rxn:5:193870:225833:228524,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCC3)cc1-c1ccnc(N2CCCCC2)c1F,DGQCBYBNYYAXMJ-UHFFFAOYSA-N
-rxn:5:193870:226181:227867,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCCC3)cc1-c1ccc(C2=CCCCC2)nc1,MDRQUUJVVYVPFS-UHFFFAOYSA-N
-rxn:5:193870:226181:227868,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCC3)cc1-c1ccc(C2=CCCCC2)nc1,VYZFEYBQYMFTEZ-UHFFFAOYSA-N
-rxn:5:193870:226366:227807,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCC3)cc1-c1ccnc(N2CCCCC2)c1,LYRCJBHDNRJWTD-UHFFFAOYSA-N
-rxn:5:193870:226366:228255,COc1c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)ccc(C)c1F,XQGUMJBPNRCEFJ-UHFFFAOYSA-N
-rxn:5:193870:226366:228256,COc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C)c1F,IUMIJVYOJVUJIA-UHFFFAOYSA-N
-rxn:5:193870:226366:228271,COc1cc(C)c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1F,JEBVDKWAEBVFOH-UHFFFAOYSA-N
-rxn:5:193870:228256:226366,COc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C)c1F,NDWKWBMWRFHKJU-UHFFFAOYSA-N
-rxn:5:193870:228259:226366,COc1cc(C)cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1F,IWPIYCINPVFCPB-UHFFFAOYSA-N
-rxn:5:193972:225454:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)c1,UZLFMFCYMRQDIG-UHFFFAOYSA-N
-rxn:5:193972:225834:229228,Cc1cc(-c2cc(N3CCCCC3)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccsc1C#N,ZUFUSPMNWNLWHI-UHFFFAOYSA-N
-rxn:5:193972:226177:228883,Cc1cc(-c2ccnc(C3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cnc1F,YWBSFBKIIBRABN-UHFFFAOYSA-N
-rxn:5:193972:226181:228527,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1OCC2,DRIMIYJXZCDPSW-UHFFFAOYSA-N
-rxn:5:193972:226181:228890,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,JJMZOOLOMVGKTD-UHFFFAOYSA-N
-rxn:5:193972:226181:229075,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C)c(C#N)s1,DXTLQFQFFJWARQ-UHFFFAOYSA-N
-rxn:5:193972:226364:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)nc3)cc2C)ccn1,HTYACQSGRGJYCV-UHFFFAOYSA-N
-rxn:5:193972:226366:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccn1,AAINYSMVQDMKRR-UHFFFAOYSA-N
-rxn:5:193972:226366:228775,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,JJKOWVIIHIPPLR-UHFFFAOYSA-N
-rxn:5:193972:226366:228784,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1F,CASJUPZTVNUJMV-UHFFFAOYSA-N
-rxn:5:193972:226366:228883,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cnc1F,LTAYYEBMSJWYSV-UHFFFAOYSA-N
-rxn:5:193972:227867:226181,Cc1cc(-c2cccc3c2OCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,MAHBVIOAQAHBAW-UHFFFAOYSA-N
-rxn:5:193972:228504:226366,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,VXARDIDAEGSLMS-UHFFFAOYSA-N
-rxn:5:193972:228527:226181,Cc1cc(-c2cccc3c2OCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,UFODRILCCJORCH-UHFFFAOYSA-N
-rxn:5:193972:228530:226181,Cc1cc(-c2ccc3c(c2)OCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,FAPPMAQKRHYTJM-UHFFFAOYSA-N
-rxn:5:193972:228588:226366,CC#Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccn1,IFTXJBOVUPDXIV-UHFFFAOYSA-N
-rxn:5:193972:228719:226181,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,XUQZBZHUTAYOBS-UHFFFAOYSA-N
-rxn:5:193972:228719:226366,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,ZGADLNADMCRYBA-UHFFFAOYSA-N
-rxn:5:193972:228775:226366,COc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,VQHXUNYBEDRGES-UHFFFAOYSA-N
-rxn:5:194058:223054:223062,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCC(O)C1,NUUXAMSPUGPLOC-UHFFFAOYSA-M
-rxn:5:194058:223062:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCC(O)C1,SJJJQKMZQMWETA-UHFFFAOYSA-M
-rxn:5:194058:225607:225588,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccccc2CN2CCSCC2)s1)N1CCCCC1,KWWWZZRKQMHPAE-UHFFFAOYSA-M
-rxn:5:194058:225607:225598,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(CN3CCSCC3)c2)s1)N1CCCCC1,VSLZBLPFYTUVNJ-UHFFFAOYSA-M
-rxn:5:194058:225607:225833,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCCCC1,BEGBYSUFQLRVMD-UHFFFAOYSA-M
-rxn:5:194058:225607:225834,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCCCC1,XGXJBSIVTJEVHZ-UHFFFAOYSA-M
-rxn:5:194058:225607:225849,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCCCC1,UWAUPQHACKOGTH-UHFFFAOYSA-M
-rxn:5:194058:225805:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCOCC1,XZWLFTZHKFBPEZ-UHFFFAOYSA-M
-rxn:5:194058:225805:225834,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCOCC1,HUHGPDPMLGKWHG-UHFFFAOYSA-M
-rxn:5:194058:225805:226661,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCOCC1,UBJWKKABUPTFDR-UHFFFAOYSA-M
-rxn:5:194058:225805:226662,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,APCMZSYWNUYVNT-UHFFFAOYSA-M
-rxn:5:194058:226661:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCOCC1,WNUHIVVTBIOFDS-UHFFFAOYSA-M
-rxn:5:194058:226661:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCN(C)CC2)cs1,LVISSBDHKDFBFS-UHFFFAOYSA-M
-rxn:5:194058:226662:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,JTUAZZLLZHMZJY-UHFFFAOYSA-M
-rxn:5:194786:225507:226062,COC(=O)C1CCc2cc(-c3ccc(-c4cc5c(n4-c4ccc(-c6cc(C(C)C)cc(C(C)C)c6)cc4)CC(C)(C)CC5=O)cc3)ccc21,GOJMCOJDMWZGOQ-UHFFFAOYSA-N
-rxn:5:196408:223063:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,QNVCTBMBNDGPBP-UHFFFAOYSA-N
-rxn:5:196408:225926:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,VORXPXLQTPDCOO-UHFFFAOYSA-N
-rxn:5:196667:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCC2)ccnc1-c1cc(F)nc(C2CCCCC2)c1,DZVDFPZOVGNSGO-UHFFFAOYSA-N
-rxn:5:196869:222987:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2C)ccc1N1CCOCC1,FMIVILCDCZRJON-UHFFFAOYSA-N
-rxn:5:196917:225833:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,PRBSJIPJMRTRRE-UHFFFAOYSA-N
-rxn:5:196917:225849:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,AXGGKOBNBKNJBA-UHFFFAOYSA-N
-rxn:5:196919:225985:225833,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCCC3)c2F)=N1,FOEFDZOOAOYNBZ-UHFFFAOYSA-N
-rxn:5:196919:225985:225849,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,MQXKUWXEMMXQJZ-UHFFFAOYSA-N
-rxn:5:196919:226658:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,IGUQHCBBARIFJC-UHFFFAOYSA-N
-rxn:5:196919:226664:225926,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,NFCSTHWQRWIZQX-UHFFFAOYSA-N
-rxn:5:196969:223063:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cc(F)nc(C2CCNCC2)c1,LCPKMFDHVDALIM-UHFFFAOYSA-N
-rxn:5:196969:225832:226187,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccc(C2CCOCC2)c1,GNZJAAPNYXUMCZ-UHFFFAOYSA-N
-rxn:5:197876:223018:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VIUJIMPURSUPJM-UHFFFAOYSA-N
-rxn:5:197876:225498:229012,CC(C)c1ccsc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AEELCXBQHMXVDC-UHFFFAOYSA-N
-rxn:5:197876:225674:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CLORTMLGNGOVEZ-UHFFFAOYSA-N
-rxn:5:197876:225879:228583,CC(C)c1cc(-c2cc3c(cc2-c2ccc(N4CCOCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,JPMICSSUQZEJST-UHFFFAOYSA-N
-rxn:5:197876:227812:223018,CC(C)Cc1cccc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HDANRDZZDQLRHC-UHFFFAOYSA-N
-rxn:5:197876:227907:226059,CCC(C)c1cncc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YCYIMYIQZZTWSV-UHFFFAOYSA-N
-rxn:5:197876:228219:226450,CC(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(C4(C)OCCO4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,YCLOPSGWBMTENX-UHFFFAOYSA-N
-rxn:5:227860:178295:223284,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2-c2ccc3c(c2)CCN3C)CCC(=O)CC1,RRRZXKCPIOKKBY-UHFFFAOYSA-N
-rxn:5:227872:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccc3c(c2)CCC3=O)CCC(=O)CC1,ODHNWIBONUEUEW-UHFFFAOYSA-N
-rxn:5:227898:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cncc(CC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VDYGUNUCBJTBGJ-UHFFFAOYSA-N
-rxn:5:227906:178295:227591,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,SYTQWHSFBYPTAB-UHFFFAOYSA-N
-rxn:5:227909:178295:227288,CCC(C)c1cc(-c2ccc(-c3ccccc3C(=O)N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,KSINOORBBHLALT-UHFFFAOYSA-N
-rxn:5:227910:178295:226191,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,NQBKDMAZTOHIOB-UHFFFAOYSA-N
-rxn:5:227921:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C(C)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GLDLRAPJTSVLCA-UHFFFAOYSA-N
-rxn:5:227925:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(OC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WEUJGTBKVASLOU-UHFFFAOYSA-N
-rxn:5:227932:178295:228346,COCc1ccc(C)c(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ODNKMWVVYYBJKN-UHFFFAOYSA-N
-rxn:5:227933:178295:226190,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3CCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MQULLFSWNUQIIV-UHFFFAOYSA-N
-rxn:5:227933:178295:227103,CCc1ccc(OC)cc1-c1ccc(-c2sccc2C2CCCCC2)cc1C1(C(=O)OC)CCC(=O)CC1,IECZFNRYMNCIBK-UHFFFAOYSA-N
-rxn:5:227933:178295:227311,CCc1ccc(OC)cc1-c1ccc(-c2cnc(C(C)CC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UKHVDGQVAXUSGJ-UHFFFAOYSA-N
-rxn:5:227934:178295:226920,CCOc1ccc(C)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,TYHWSGUKPDQUKU-UHFFFAOYSA-N
-rxn:5:227942:178295:227568,CCc1ccc(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,JCQWXGCSAOLWAH-UHFFFAOYSA-N
-rxn:5:227953:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,IMKBJBNHJFILDQ-UHFFFAOYSA-N
-rxn:5:227956:178295:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2cc(C)nc(C(C)C)c2)CCC(=O)CC1,LRPBREAVUFNPNN-UHFFFAOYSA-N
-rxn:5:227956:178295:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C)nc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JQYOBWMFIAMFIL-UHFFFAOYSA-N
-rxn:5:227974:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(C)cc(OC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,OZODKWOXIJSGRQ-UHFFFAOYSA-N
-rxn:5:227979:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,NLXPPVZOUNXYKA-UHFFFAOYSA-N
-rxn:5:227997:178295:227313,CCC(C)c1cc(-c2ccc(-c3cc(C4CC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,YQSLKIUOHWJXOZ-UHFFFAOYSA-N
-rxn:5:228000:178295:227113,COC(=O)C1(c2cc(-c3cc(C4CC4)c(F)cc3C)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,ICVQJJMDMZQOOC-UHFFFAOYSA-N
-rxn:4:173294:223694,CCOC(=O)CCOc1ccc(Cl)cc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)c(C)cc1F,SQYSGPXXUZGJMZ-UHFFFAOYSA-N
-rxn:4:173304:222540,CCOC(=O)C(=O)CC(=O)c1ccccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,FXEDKQBZVOXOSA-UHFFFAOYSA-N
-rxn:4:173331:223811,COCC(Oc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c(F)c1)C(=O)OC,PAOSLEXJNZCSEO-UHFFFAOYSA-N
-rxn:4:173338:222639,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1,GNMLMZVRZXWYEK-HNNXBMFYSA-N
-rxn:4:173421:223499,COCCCOc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(C)(F)F,DASOAAILCIAKNA-UHFFFAOYSA-N
-rxn:4:173523:223559,CCCCCc1ccc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1,KWTDPBHNZCDCGU-UHFFFAOYSA-N
-rxn:4:173572:225277,COC(=O)c1c(OC)cc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1OC,XKCSNYUDYKTZOP-UHFFFAOYSA-N
-rxn:4:173607:222706,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c(OC(=O)C(C)C)cc12,YSOOUDBNVBRIOZ-UHFFFAOYSA-N
-rxn:4:173641:222897,CCCCNS(=O)(=O)c1cccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)c1,JWAOJXWYYKURKZ-UHFFFAOYSA-N
-rxn:4:173653:224075,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)cc1)C2=O,KWGRFLNGCDPQHE-UHFFFAOYSA-N
-rxn:4:173654:222972,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccccc3NC(=O)C(C)(C)C)c1)C2=O,ITDZTSFFZZEHJQ-UHFFFAOYSA-N
-rxn:4:173656:224853,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc1)C2=O,WLFRWGBVBMLNCY-UHFFFAOYSA-N
-rxn:4:173680:224853,CCOC(=O)c1c(C)oc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)c(OC(=O)C3CCCCC3)cc12,XEGNPCITMQPRFI-UHFFFAOYSA-N
-rxn:4:173684:225723,CN(C)CCOc1ccc(-c2ccc(C=C3Oc4cc(OCC(=O)OC(C)(C)C)ccc4C3=O)cc2)cc1Cl,WJRNGEOBSQYOEY-UHFFFAOYSA-N
-rxn:4:173715:225337,Fc1cc(COCC(F)(F)F)cc(-c2cc(OC(F)(F)F)ccc2OC(F)(F)C(F)(F)F)c1,XNJOYLIKRDDDOU-UHFFFAOYSA-N
-rxn:4:173723:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1C(F)(F)F,LTUFIFYKEYDZEN-UHFFFAOYSA-N
-rxn:4:173723:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,CKYKKBCWPCIHRB-UHFFFAOYSA-N
-rxn:4:173723:222769,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)cc1,UPIMGPYOCCBZET-UHFFFAOYSA-N
-rxn:4:173723:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,TZKHCUYVVVDYMJ-UHFFFAOYSA-N
-rxn:4:173723:222806,CCCNC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,IRPWHTVYYREYGZ-UHFFFAOYSA-N
-rxn:4:173723:222828,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1,YVYODJBEDRALPG-UHFFFAOYSA-N
-rxn:4:173723:223682,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cc1,HETPAZQQUZJNNV-UHFFFAOYSA-N
-rxn:4:173723:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,ZHIXEJCOSVWMOZ-UHFFFAOYSA-N
-rxn:4:173723:223840,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FKJHWHQVWRNORZ-UHFFFAOYSA-N
-rxn:4:173723:223997,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,JRVASYUDZMDVIS-UHFFFAOYSA-N
-rxn:4:173723:224292,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)OCC(C)(C)C,QCZADUKGXMKCFE-UHFFFAOYSA-N
-rxn:4:173723:224306,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1,LVAYDCOJMMNILP-UHFFFAOYSA-N
-rxn:4:173723:224410,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1,KGDQIEDVOUYKIG-UHFFFAOYSA-N
-rxn:4:173723:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,LUTZFJBWGTVUBR-UHFFFAOYSA-N
-rxn:4:173723:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F,BTCOIVMLZDUKNY-UHFFFAOYSA-N
-rxn:4:173723:224658,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,PEEIXUZHNYEGII-UHFFFAOYSA-N
-rxn:4:173723:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BLKPNFFQQPEALR-UHFFFAOYSA-N
-rxn:4:173723:224820,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,QYRUJSMEJOILHY-UHFFFAOYSA-N
-rxn:4:173723:224824,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc1,GSUJBJFMKRYKOS-UHFFFAOYSA-N
-rxn:4:173739:223823,CCOC(=O)CSc1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,CHNGHYDIUXHAOK-UHFFFAOYSA-N
-rxn:4:173787:224187,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccc(OCCN2CCCCC2)cc1F,LUZPCLPXGPLWCV-UHFFFAOYSA-N
-rxn:4:173802:222457,O=C(Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)c1cccc(C(F)(F)F)c1,CZBJSELTFZJGHM-UHFFFAOYSA-N
-rxn:4:173802:222705,O=S(=O)(OC(c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,PHXZUPBFWUZABW-UHFFFAOYSA-N
-rxn:4:173802:222959,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1C1CCNCC1,JSRUITFIHDKNPT-UHFFFAOYSA-N
-rxn:4:173802:222980,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCNCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,SDXOKBRVSAXAOU-UHFFFAOYSA-N
-rxn:4:173802:222984,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCC(O)C3)cc2)cc1)C(F)(F)F)C(F)(F)F,PNGUWBZLHQZPFC-UHFFFAOYSA-N
-rxn:4:173802:223076,O=S(=O)(NC1CC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,DWPUGNCDICHJHL-UHFFFAOYSA-N
-rxn:4:173802:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2Cl)CC1,FOVJHFJZLCVDEP-UHFFFAOYSA-N
-rxn:4:173802:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)CC1,UDTMADQZJVOPJW-UHFFFAOYSA-N
-rxn:4:173802:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,YIFDNFPKANCOGO-UHFFFAOYSA-N
-rxn:4:173802:223919,CN(C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl)C1CCCCC1,LPQUNKQOXAPJRR-UHFFFAOYSA-N
-rxn:4:173802:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,OYXCJHNLIULYJD-UHFFFAOYSA-N
-rxn:4:173802:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2F)CC1,FGECAZSGPUHJRC-UHFFFAOYSA-N
-rxn:4:173802:224416,O=S(=O)(OC(c1ccc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1)C(F)(F)F)C(F)(F)F,LJZBWVLPQVSOSL-UHFFFAOYSA-N
-rxn:4:173802:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ABXVEMPLRRPVGM-UHFFFAOYSA-N
-rxn:4:173802:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,BAVMJVNKHAHJFU-UHFFFAOYSA-N
-rxn:4:173802:224885,CC1CCN(Cc2ccccc2-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)CC1,RKECYFUFBXIGSK-UHFFFAOYSA-N
-rxn:4:173802:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,WSKIAFSNPJZGFS-UHFFFAOYSA-N
-rxn:4:173802:225098,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,XWBSEXMPFYQWRP-UHFFFAOYSA-N
-rxn:4:173802:225178,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCOCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,YERKGOGEWZOPGR-UHFFFAOYSA-N
-rxn:4:173802:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,FUQLANXWISUGOU-UHFFFAOYSA-N
-rxn:4:173802:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,QYFOTOHCPSYYJR-UHFFFAOYSA-N
-rxn:4:173802:225330,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(=O)OC)n1,YJQOWJWGNASINO-UHFFFAOYSA-N
-rxn:4:173802:225386,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GOPINMDJROKZFI-UHFFFAOYSA-N
-rxn:4:173802:225394,O=S(=O)(OC(c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1)C(F)(F)F)C(F)(F)F,UDZACVJYMBOACD-UHFFFAOYSA-N
-rxn:4:173802:225433,O=S(=O)(OC(c1ccc(-c2ccc(CSC3CCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,LODMKXDXXZJILY-UHFFFAOYSA-N
-rxn:4:173802:225602,N#CC1(c2ccc(F)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CCC1,WHOXQVCXMCONAZ-UHFFFAOYSA-N
-rxn:4:173802:225633,O=S(=O)(OC(c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,SRBWJTHQNLYAQF-UHFFFAOYSA-N
-rxn:4:173802:225672,O=S(=O)(OC(c1ccc(-c2cc(F)nc(C3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,FQNOVGWXSGTYSH-UHFFFAOYSA-N
-rxn:4:173802:225729,CCCCOc1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,JNXDVTLWMFCDQH-UHFFFAOYSA-N
-rxn:4:173802:225755,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C2CC2)n1,OPCBBWHHSRDNES-UHFFFAOYSA-N
-rxn:4:173802:225831,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1N1CCOCC1,OBYXUWNFQDDMSD-UHFFFAOYSA-N
-rxn:4:173802:225833,O=S(=O)(OC(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1)C(F)(F)F)C(F)(F)F,DIFRMSNZMZKSFR-UHFFFAOYSA-N
-rxn:4:173802:226426,CC1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)s2)CC1,GGLHEBPNHHWHAI-UHFFFAOYSA-N
-rxn:4:173802:226427,CC1CCN(c2csc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,FHWMIRQEFFZFOW-UHFFFAOYSA-N
-rxn:4:173936:224965,CCOC(=O)C(F)(F)c1ccc(-c2cccc(OCC3CCOCC3)c2)c(C(F)(F)F)c1,YEODMOBOJQZKBB-UHFFFAOYSA-N
-rxn:4:174104:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC4(C(=O)OC)CC4)c(OC)c3)cc2F)CC1,UYJHRWVFXCFZBP-UHFFFAOYSA-N
-rxn:4:174144:223866,COC(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1OCC(C)C,URKKBHIXIYZTQM-UHFFFAOYSA-N
-rxn:4:174306:223567,CCOC(=O)CC1CC(c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)C1,XBSJIHQYNUOKGR-UHFFFAOYSA-N
-rxn:4:174339:223559,COc1ccc(C(=O)CCc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1,ALKLSWWTMKADAS-UHFFFAOYSA-N
-rxn:4:174406:224621,COC(=O)C1(c2ccc(-c3ccc(OCCN4CCSCC4)cc3)cc2)CC(OC)(OC)C1,VXXGGVGLAFRHIJ-UHFFFAOYSA-N
-rxn:4:174406:224964,COC(=O)C1(c2ccc(-c3ccc(COC4CCOCC4)cc3)cc2)CC(OC)(OC)C1,ZJWMTKXLJZTGEK-UHFFFAOYSA-N
-rxn:4:174407:225198,COC(=O)C1(c2cccc(-c3c(F)cccc3OC3CCCCO3)c2)CC(OC)(OC)C1,FSFDCZOUCNUGLZ-UHFFFAOYSA-N
-rxn:4:174437:225104,CCN(CC)C(=O)c1ccc(F)c(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)c1,BRHDZTBKKLWAMY-UHFFFAOYSA-N
-rxn:4:174467:223588,Cc1cc(-c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QFTHSBNUERVECJ-UHFFFAOYSA-N
-rxn:4:174575:223772,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc3ccc(OC)cc3n1C(=O)OC(C)(C)C)C2=O,CRTKTFOBNGGTMV-UHFFFAOYSA-N
-rxn:4:174644:222628,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,QKHVBKPHDUPIFO-UHFFFAOYSA-N
-rxn:4:174656:223941,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,UUGNZEPQSMAFEC-UHFFFAOYSA-N
-rxn:4:174729:223892,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)ccc1OC(F)(F)F,JUISIPDBQKMFBD-UHFFFAOYSA-N
-rxn:4:174735:223490,COC(=O)c1c(OC(F)(F)F)cccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RGGNHKRQGWVUGT-UHFFFAOYSA-N
-rxn:4:174756:224710,CCCCOc1cc(-c2ccc(OC(F)(F)C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1,ZWRILDAUVHKXPB-UHFFFAOYSA-N
-rxn:4:175502:222514,CCOC(=O)c1ccc(C(C)C)c(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c1,KHQFGUWQFUWXBP-UHFFFAOYSA-N
-rxn:4:175706:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(C)c(OC)c(OC)c(OC)c2OC)c(Cl)c1,OKHQVBZDHNAECU-UHFFFAOYSA-N
-rxn:4:175868:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(=O)OC(C)C)cc(C(C)C)c1,HUIDYCUCDWHRSJ-UHFFFAOYSA-N
-rxn:4:175896:224598,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)c(OC2CCCCO2)c1,PTHYGGHEKOISRY-UHFFFAOYSA-N
-rxn:4:175937:223996,COc1ccc(-c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1OCC1CCOCC1,XOSFFPRVRVGEFT-UHFFFAOYSA-N
-rxn:4:176022:223528,Cc1ccc(C)c(C(=O)CCc2cccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1,MHTYATCVDLHXJW-UHFFFAOYSA-N
-rxn:4:176093:223753,Cc1ccc(-c2cccc(Cl)c2CO[Si](C)(C)C(C)(C)C)cc1OCCCN1CCN(C)CC1,TVTQOCBUVYGGMC-UHFFFAOYSA-N
-rxn:4:176182:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,PEGRQFZITCBKSY-UHFFFAOYSA-N
-rxn:4:176420:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OC(F)F)cc(C(F)(F)F)c1,QXDVLPGSUMIYQI-UHFFFAOYSA-N
-rxn:4:176678:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)CC(F)F)cn2)CC1,GQMHPLVRJGRIOR-UHFFFAOYSA-N
-rxn:4:176803:223577,CCCOc1c(F)ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,VENAYVHRXCVGKS-UHFFFAOYSA-N
-rxn:4:177468:223712,COC(=O)C1(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)COC1,YFXOTTMHWPVYEU-UHFFFAOYSA-N
-rxn:4:177767:223885,COC(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC(=O)C1,DBKZKWSLPLSCMH-UHFFFAOYSA-N
-rxn:4:177838:223712,CCOc1ccc(C2OCCO2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,JUJIJOAMICZBKN-UHFFFAOYSA-N
-rxn:4:178379:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc3)cc21,WINZQUFKUPWMOV-UHFFFAOYSA-N
-rxn:4:178384:225568,COC(=O)C(C)(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,BJEVSCGSRYEGMQ-UHFFFAOYSA-N
-rxn:4:178384:227112,Cc1cc(C2CC2)c(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ALGOPUZECLEQNE-UHFFFAOYSA-N
-rxn:4:178384:228179,COCc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,DCYFRNNOZARUFV-UHFFFAOYSA-N
-rxn:4:178384:228756,CSc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)n1,SKLBHXQTYINWTQ-UHFFFAOYSA-N
-rxn:4:178463:223994,CCOC(=O)C1Cc2c(cccc2-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)C1=O,FUUJJJKZCGEDJR-UHFFFAOYSA-N
-rxn:4:178563:223841,Cc1cc(F)c(-c2cc(OCC3CCOCC3)cc3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1,CYZUOQSDZNFSHD-UHFFFAOYSA-N
-rxn:4:178597:227316,CC(C)Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(F)n1,GBUFVKVXUVXLPX-UHFFFAOYSA-N
-rxn:4:178597:227835,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C1CC1,UDXIVOUOWWWMOV-UHFFFAOYSA-N
-rxn:4:178597:227994,CC(C)c1ccc(Cl)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,LYSSRKFVTVKONZ-UHFFFAOYSA-N
-rxn:4:178597:228125,CC(C)Oc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccn1,JJYORBSYZWBMSK-UHFFFAOYSA-N
-rxn:4:178861:223533,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc(S(=O)[O-])c1,FHWQCMDHOHYXJD-UHFFFAOYSA-M
-rxn:4:180290:222465,COc1c(C)cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1C1OCCO1,FMZQBPHVTHFPOZ-UHFFFAOYSA-N
-rxn:4:180414:222540,CC1(C)OC(=O)C(=CSc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)C(=O)O1,BXKFJZZSDOGLDN-UHFFFAOYSA-N
-rxn:4:180498:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCCOC3)cc2C2CC2)CC1,NRGKOTYETYIJQX-UHFFFAOYSA-N
-rxn:4:180855:222540,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc31)c1cc(C(C)(C)C)ccc1-2,WOWSUZYWQBERPY-UHFFFAOYSA-N
-rxn:4:180855:223922,CN(C(=O)c1cc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)ccc1Cl)C1CCCCC1,WQTIAOMQWKSCHB-UHFFFAOYSA-N
-rxn:4:181164:222426,COc1c(F)c(F)cc(F)c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,RLKVTNZFZWKYSA-UHFFFAOYSA-N
-rxn:4:182161:223698,O=S([O-])c1cc2c(cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c1)OCCO2,TUADWNOPUPPZGR-UHFFFAOYSA-M
-rxn:4:182354:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c2c1OC1(CCCC1)C2,JSLNOWBZSZVKCK-UHFFFAOYSA-N
-rxn:4:182359:224738,COC1CCC2(CC1)Oc1ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cc1C2=O,BDXJHOIQSBOVPK-UHFFFAOYSA-N
-rxn:4:182368:222694,O=C1c2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)ccc2CC12CCC(C(F)(F)F)CC2,DIXVLIRNNXZDFW-UHFFFAOYSA-N
-rxn:4:182374:224656,COc1ccc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)c(F)c1OC1CCCC1,OIXTYBJZWDBBBR-UHFFFAOYSA-N
-rxn:4:182376:224101,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCCN5CCC(C)CC5)c4)cc3C2=O)C[C@@H]1C,DSMFWLHNTBGCRO-ILXGQIOTSA-N
-rxn:4:182376:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(=O)[C@@]3(C4)C[C@@H](C)[C@H](OC)[C@@H](C)C3)cc2)CCCC1,ASDCBXWGOFJVAA-QYWINIKXSA-N
-rxn:4:182416:228962,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccn3nnnc23)cc1,PKNQSAYPYDZVNC-UHFFFAOYSA-N
-rxn:4:182420:223497,CC(c1ccc(-c2ccc3ccc4cc(C(C)(C)C)cc5ccc2c3c45)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,YJOJXWVZIYUQRS-UHFFFAOYSA-N
-rxn:4:183127:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3c(c2)C(=O)C(F)=CCC3)CC1,JWZVRPCQHFQTNM-UHFFFAOYSA-N
-rxn:4:183269:223886,Cc1cc2c(cc1-c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)C(C)(C)C=CC2(C)C,ZBRRHXWODXQRPK-UHFFFAOYSA-N
-rxn:4:183273:228899,COc1nc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KCBSFAXZVXBHNE-UHFFFAOYSA-N
-rxn:4:183274:226646,Cc1nnc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2)o1,FMXOWHKHQKPBNW-UHFFFAOYSA-N
-rxn:4:183274:228424,COc1cc(F)c(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,QDCKZCHOXIKMBM-UHFFFAOYSA-N
-rxn:4:183440:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc4c5c(ccc6c5c3CCC6)CCC4)c(F)c2)CC1,SCWVWQQGRAZQFF-UHFFFAOYSA-N
-rxn:4:183528:222918,CCOC(=O)Cc1ccc(C#N)c(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C(F)(F)F,GQJLVOIIEBJYPF-UHFFFAOYSA-N
-rxn:4:183738:224572,CCOc1ccc(-c2ccc(N3CCCC(C)C3)cc2C#N)cc1S(=O)(=O)N(CC)CC,MNTMCHQQECZVSG-UHFFFAOYSA-N
-rxn:4:183781:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2CCN(C)C(=O)OC(C)(C)C)cc1,JLLQWQYOHZVNJK-UHFFFAOYSA-N
-rxn:4:183839:224199,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1,LDJNTWWUHRXZCU-UHFFFAOYSA-N
-rxn:4:183885:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccccc1OCCCN1CCCC(C(F)(F)F)C1,YFHDSKKSGSHLKP-UHFFFAOYSA-N
-rxn:4:183885:226419,FC(F)(F)C1CCCN(CCCOc2ccccc2-c2ccc(N3CCCC3)cc2Cl)C1,XMJKURRWGYLWEP-UHFFFAOYSA-N
-rxn:4:183892:223810,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1,YRKFZMGWEGGGHK-UHFFFAOYSA-N
-rxn:4:183892:225738,CCCCOc1cc(F)c(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)cc1F,KRLBGZNIRDHTQR-UHFFFAOYSA-N
-rxn:4:183923:222630,O=C(COc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,GNQUESNVCVIJSC-UHFFFAOYSA-N
-rxn:4:183937:222632,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cccc(C(=O)NCCN2CCCC2)c1)C1CCC1,GRPMHCCNTCNEMG-UHFFFAOYSA-N
-rxn:4:183961:224761,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,HOYNNXYPWHLIBQ-QHCPKHFHSA-N
-rxn:4:183968:225311,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cc(C(F)(F)F)c(C4CC4)cc3Cl)c2)C1,NAHWNDAVNQGIGX-UHFFFAOYSA-N
-rxn:4:183984:224727,COC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c(C)c2)cc(OC(C)(C)C)n1,DOYJHVVUQRAFHM-UHFFFAOYSA-N
-rxn:4:184012:223279,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,FZCGYOUGKBOKNR-UHFFFAOYSA-N
-rxn:4:184023:223084,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cnc(N4CCC(O)CC4)nc3)c2)CC1,PONLKEOKPZMAFD-UHFFFAOYSA-N
-rxn:4:184031:224200,Cc1cc(Cl)c(OCc2cccnc2)cc1-c1cc(F)cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,XTLIEJQOEURTBQ-UHFFFAOYSA-N
-rxn:4:184039:222514,COc1ccc(-c2cccc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,ACCGUPYHASSFNV-UHFFFAOYSA-N
-rxn:4:184053:223737,CN(Cc1cc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,GMHONTPIRVEMHF-UHFFFAOYSA-N
-rxn:4:184064:227371,COc1c(C)ccc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CCCC2)c1OC,MYVZKEUYAPGHEG-UHFFFAOYSA-N
-rxn:4:184071:224772,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)c2)CC1,ZZXQFNXUIKWRHT-UHFFFAOYSA-N
-rxn:4:184072:226024,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cccc(OCC(F)(F)F)c3F)cc2)C1,AOSLTQMOOJRKTH-UHFFFAOYSA-N
-rxn:4:184096:226844,CC1(C)CCC(N(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)OC(C)(C)C)CC1,HFFQILQJDIAWPG-UHFFFAOYSA-N
-rxn:4:184097:226844,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CCS(=O)(=O)C2)cc1,UBIJHCCBMLUEDA-UHFFFAOYSA-N
-rxn:4:184099:224430,CCC(C)Oc1ccc2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1,KSULJTOQRKBOQW-UHFFFAOYSA-N
-rxn:4:184104:222439,CCOC(=O)c1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c2ccccc2n1CCOC,VEERMXQIKYNCNS-UHFFFAOYSA-N
-rxn:4:184164:224283,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc3)cc12,VEAVKXFIZJBOSU-UHFFFAOYSA-N
-rxn:4:184199:222494,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)c2ccccc12)C1CCOC1,ZBPLIGXMEVQPHI-UHFFFAOYSA-N
-rxn:4:184202:226284,CC(C)COc1cc(Cl)cc(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3=O)c1,QPXBBJJDJWYKHT-UHFFFAOYSA-N
-rxn:4:184219:223279,CC(C)(C)OC(=O)n1c(-c2cnc(C3CCCN3)nc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,OVEASDKDXVNLDR-UHFFFAOYSA-N
-rxn:4:184230:222838,CCCCC(CC)CN1C(=O)c2cccc3c(-c4ccc(CNC(=O)C(C)(C)C)cc4)ccc(c23)C1=O,KQKXDKHVNRTNHR-UHFFFAOYSA-N
-rxn:4:184298:223867,CC1CCN(CCCOc2cccc(-c3cccc(OCCC(F)(F)F)c3[N+](=O)[O-])c2)CC1,LQFZCCPPCXBICS-UHFFFAOYSA-N
-rxn:4:184313:225158,O=C(c1ccc(-c2ccc([N+](=O)[O-])c(OC(C(F)(F)F)C(F)(F)F)c2)cc1)N1CCSCC1,MKVYVRRHKHLEJM-UHFFFAOYSA-N
-rxn:4:184578:222537,CCOC(=O)c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc(OC)c1C#N,VILBCGAQBVVJSZ-UHFFFAOYSA-N
-rxn:4:184595:223843,CCC(Oc1cncc(-c2ccc(S(=O)(=O)N(CC)CC)cc2C(F)(F)F)c1)C(=O)OC,VNRXNQLKFWIOFV-UHFFFAOYSA-N
-rxn:4:184630:223814,CCOC(=O)Cc1ccc(C#N)c(C)c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,SSQVQEZTOUKJMO-UHFFFAOYSA-N
-rxn:4:184805:223572,COC(=O)c1cc(Oc2ccc(F)cc2F)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)cc1[N+](=O)[O-],QDANDIYWWNJKSM-UHFFFAOYSA-N
-rxn:4:184845:224652,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c1,VXXOOWAMRJQMDS-UHFFFAOYSA-N
-rxn:4:184889:224125,COC(=O)C1CN(Cc2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2C(F)(F)F)C1,CDIWUIBQTQNLLT-UHFFFAOYSA-N
-rxn:4:184891:223836,COc1ncnc2c1cc(-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCC1)n2C(=O)OC(C)(C)C,CPWKHGVOAIBDBI-UHFFFAOYSA-N
-rxn:4:184897:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,NRIAAXXKNUMZJY-UHFFFAOYSA-N
-rxn:4:184981:223894,CN1CCN(CCCOc2cccc(-c3ccccc3C(=O)OCCN3CCCCC3)c2)CC1,NYQMRYASEFAKBB-UHFFFAOYSA-N
-rxn:4:185004:224773,Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1S(=O)(=O)N1CCCC1,NXWAFNNNEOXNSV-UHFFFAOYSA-N
-rxn:4:185023:222604,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCC2CCCCC2)cc1S(=O)(=O)NC1CCCC1,SSLIYKQNAVVXGT-UHFFFAOYSA-N
-rxn:4:185062:223279,Fc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OCCN1CCC(C(F)(F)F)CC1,ARVSEUVMBIPWSO-UHFFFAOYSA-N
-rxn:4:185114:223857,CCCCn1c2ccccc2c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(C(F)(F)F)CC4)cc3)ccc21,NKYNMGHCHDVTLB-UHFFFAOYSA-N
-rxn:4:185116:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,MVBIPHCYZACINP-UHFFFAOYSA-N
-rxn:4:185127:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc([N+](=O)[O-])c(CO[Si](C)(C)C(C)(C)C)c1,CPDXZWZECYIWMG-UHFFFAOYSA-N
-rxn:4:185135:225334,COC(=O)C1CCN(CCc2cc(-c3ccc(F)cc3COCC(F)(F)F)ccc2Cl)CC1,AQXMHONMOGUXSS-UHFFFAOYSA-N
-rxn:4:185150:224272,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)C1,PWMLBEWRTXRFSJ-UHFFFAOYSA-N
-rxn:4:185167:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(CN(C(=O)c4ccccc4)C4CCS(=O)(=O)C4)o3)cnc21,UURFRUHPRZZANZ-UHFFFAOYSA-N
-rxn:4:185173:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(CC(=O)N3CC(Oc4cc(C)oc(=O)c4)C3)cc2)c(F)cc1C,SRXWMNDOZWLGGG-UHFFFAOYSA-N
-rxn:4:185221:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3OCc3ccccc3)cc2)CC1,PRQXHAFRCOQEAK-UHFFFAOYSA-N
-rxn:4:185229:222845,CC(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc1)N1CCNCC1,XANGLXKKKQUWNG-UHFFFAOYSA-N
-rxn:4:185229:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)C1,QSJKBXNBSYYHML-UHFFFAOYSA-N
-rxn:4:185239:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(OCC2CCN(CC3CC3)CC2)cc1,LNNGEFRZFZVWSE-UHFFFAOYSA-N
-rxn:4:185260:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1,YGIJDOFFGMGKAD-UHFFFAOYSA-N
-rxn:4:185267:224198,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(CN4CCN(CC)CC4)cc3F)c2)CC1,LOCXOROKKRBNPX-UHFFFAOYSA-N
-rxn:4:185275:224755,O=C(c1ccc(F)c(-c2cccc(CN(C(=O)c3ccccc3)C3CCS(=O)(=O)C3)c2)c1)N1CCOCC1,VQKZPZFXCQENTI-UHFFFAOYSA-N
-rxn:4:185307:225765,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(OCC(C)C)c1F,FJKXYDLXDKHQTR-UHFFFAOYSA-N
-rxn:4:185311:226844,CCN(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(=O)OC)c1C)C1CCOCC1,YZDQMZMILPXDIX-UHFFFAOYSA-N
-rxn:4:185315:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C2CC2)C1,YZBYSLQILHCYLU-UHFFFAOYSA-N
-rxn:4:185343:224612,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)C2=O)cc(OC)c1OC,AUKOICRARZPUCE-UHFFFAOYSA-N
-rxn:4:185343:226844,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C2=O)cc(OC)c1OC,GCAWGLYLNWWLJM-UHFFFAOYSA-N
-rxn:4:185344:224412,COc1cc(C=C2SC(=S)N(c3ccccc3-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C2=O)cc(OC)c1OC,WMNWIEKOKJZXDQ-UHFFFAOYSA-N
-rxn:4:185356:224967,COC(=O)c1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,XVJAPVAEANCVNJ-UHFFFAOYSA-N
-rxn:4:185367:222938,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2cccc(C(=O)NCC(F)(F)F)c2)CC1,WZCKMPFORHWDLV-UHFFFAOYSA-N
-rxn:4:185370:225737,CCCCOc1c(F)ccc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)c1F,OZAJMWXYVYSWNH-UHFFFAOYSA-N
-rxn:4:185384:222982,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(CN3CC[C@@H](O)C3)cc2)C1,PEXRJCJJBRCOPB-JFGZAKSSSA-N
-rxn:4:185386:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,WLJLHTGBTQNLPZ-UHFFFAOYSA-N
-rxn:4:185393:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cc2)cc2c(Cl)ccnc21,DXGRZRBQKLCVSC-UHFFFAOYSA-N
-rxn:4:185400:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(CN3CC(O[Si](C)(C)C(C)(C)C)C3)cc2)c1,GAUPYWJQQHRZMO-UHFFFAOYSA-N
-rxn:4:185407:222813,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,ZNRFYQFPYTVJAJ-UHFFFAOYSA-N
-rxn:4:185407:226844,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UCDLWJZOZPNDPH-UHFFFAOYSA-N
-rxn:4:185410:222570,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c(C3CC3)c2)C1,SCMQKVPBECZCNG-UHFFFAOYSA-N
-rxn:4:185412:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cn2)C1,PXVJCCRFDQBRGT-UHFFFAOYSA-N
-rxn:4:185415:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1,WDVKNCCQLWRVAU-UHFFFAOYSA-N
-rxn:4:185424:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,UMHRWSCDBBCKDG-UHFFFAOYSA-N
-rxn:4:185440:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc(C2CCCNC2)n1,IXZMYIDHFZQLMH-UHFFFAOYSA-N
-rxn:4:185446:223286,CC(c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,ZCZXTXBEUVONPF-UHFFFAOYSA-N
-rxn:4:185523:224801,CCCOc1cc(-c2ccc(C(=O)N3c4ccccc4OCC3CC(=O)OC)cc2)cc(C(F)(F)F)c1F,OFNBFPGLIAMIEG-UHFFFAOYSA-N
-rxn:4:185530:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4c5ccccc5OCC4CC(=O)OC)cc3)cc2)CC1,PQRZGVVXSMHRRW-UHFFFAOYSA-N
-rxn:4:185538:224198,CCN1CCN(Cc2ccc(-c3cc(C)c4c(c3)C(=O)C(=O)N4CCCOc3cccc(C)c3)c(F)c2)CC1,KVYLGIOJJCOQQH-UHFFFAOYSA-N
-rxn:4:185595:223895,CCN1CCN(CCOc2ccc(-c3ccc4oc(C(=O)N(Cc5ccc(C)o5)C5CCS(=O)(=O)C5)c(C)c4c3)cc2)CC1,AIFQSHNVYVNLPH-UHFFFAOYSA-N
-rxn:4:185602:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(C)c(C(=O)N(Cc5cccc(F)c5)C5CCS(=O)(=O)C5)oc4c3)cc2)CC1,UQFARADYCWZYCF-UHFFFAOYSA-N
-rxn:4:185618:223897,Cc1ccc2oc(C(=O)N(Cc3cccc(-c4ccc(C)c(OCCCN5CCOCC5)c4)c3)C3CCS(=O)(=O)C3)c(C)c2c1,JKMDWOKKKGCENK-UHFFFAOYSA-N
-rxn:4:185915:223991,COC(=O)c1c(C#N)cc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)cc1C(F)(F)F,NOEQZSCXVYBCHC-UHFFFAOYSA-N
-rxn:4:186039:222447,CCOC(=O)c1cc(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)nc(C(F)(F)F)c1,DCBZDBQELKUPDF-UHFFFAOYSA-N
-rxn:4:186043:222465,CCOC(=O)c1ncc(C(F)(F)F)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,BMVOTURFFFSBMP-UHFFFAOYSA-N
-rxn:4:186077:223559,CCOC(=O)c1cnc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)c1,DKTBLVROCZCVGG-UHFFFAOYSA-N
-rxn:4:186135:222855,COc1cc(-c2cc(OC(F)(F)F)c(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C2CCCNC2)c1,ZSHFBUVCTNHLDT-UHFFFAOYSA-N
-rxn:4:186265:223559,COCc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)nc1OC,XSILNHFBSWGLHT-UHFFFAOYSA-N
-rxn:4:186265:223576,COCc1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)nc1OC,DMYNVXFRSLQNEO-UHFFFAOYSA-N
-rxn:4:186286:223598,CCS(=O)(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnc1C(=O)OC,UEIPYZPQNBVGEI-UHFFFAOYSA-N
-rxn:4:186368:222514,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1OC,YRYSNZGSKVFWQQ-UHFFFAOYSA-N
-rxn:4:186368:222646,COC(=O)c1cc(S(N)(=O)=O)c(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1OC,BTFLDLBPYGNZFO-UHFFFAOYSA-N
-rxn:4:186368:223567,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)cc1OC,PTOAYWUCHIVGPD-UHFFFAOYSA-N
-rxn:4:186368:223593,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1OC,MQSAJVUTWDUESL-UHFFFAOYSA-N
-rxn:4:186368:224371,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(N3CCC(C(=O)OC)CC3)nc2)cc1OC,SUBHQNSHBVMHDP-UHFFFAOYSA-N
-rxn:4:186368:224415,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)cc1OC,STLBPAOIJLQVHJ-UHFFFAOYSA-N
-rxn:4:186444:223501,CN(C)C(=O)CCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1,HTUJZJDCUBCGLJ-UHFFFAOYSA-N
-rxn:4:186629:223542,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,LIHGAUPXTAHKDO-UHFFFAOYSA-N
-rxn:4:186629:223957,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c1,ILASIJHXDLZKPL-UHFFFAOYSA-N
-rxn:4:186629:224011,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,YNNIDTRXDLQUSP-UHFFFAOYSA-N
-rxn:4:186629:224285,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCOCC2)cc1F,MPKVODZPCSNRTF-UHFFFAOYSA-N
-rxn:4:186629:224319,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,RGYMVMGKNSBNHZ-UHFFFAOYSA-N
-rxn:4:186659:222869,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(F)c(C(=O)NCC(C)C)c1,LIXRNHMMQCGNQC-UHFFFAOYSA-N
-rxn:4:186921:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,WTPMGTVCGAOJSP-UHFFFAOYSA-N
-rxn:4:186956:224061,CCCC1CCC(c2ccc(-c3cc(C)cc(CN4CC(C(=O)OC)C4)c3)c(F)c2)CC1,YDSHURBNXLRHAK-UHFFFAOYSA-N
-rxn:4:186973:223894,CN1CCN(CCCOc2cccc(-c3ccc(OCC(=O)N4CCCCC4)c(Cl)c3)c2)CC1,LBBUQRWQWWDONT-UHFFFAOYSA-N
-rxn:4:186998:223755,CC1CCN(CCCOc2ccc(-c3ccc(OCC4CCC(F)(F)CC4)c(C#N)c3)cc2F)CC1,OPDSZILPIGOBJI-UHFFFAOYSA-N
-rxn:4:186999:224765,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2cc(C(F)(F)F)ccc2N2CCCC2)c1,XDQFDCSDDLMXLG-UHFFFAOYSA-N
-rxn:4:187081:222584,O=[N+]([O-])c1cc(F)c(OCC2CCCCC2)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1,QVMCVDKNNZTLFS-UHFFFAOYSA-N
-rxn:4:187082:223786,CN1CCN(CCCOc2ccc(-c3cc(F)c([N+](=O)[O-])c(OCC4CCCCC4)c3)cc2Cl)CC1,FANCJXUOXFKAJY-UHFFFAOYSA-N
-rxn:4:187094:225997,CCOc1ncc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)cc1C(F)(F)F,HNUQAKBBFVVTEU-UHFFFAOYSA-N
-rxn:4:187128:224826,CCOC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCCC3)c2)cnc1C(F)(F)F,UKSWCMZKMWJUTK-UHFFFAOYSA-N
-rxn:4:187156:223911,CCOC(=O)C1(c2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)CCOCC1,XBUAJFGTNGHGIG-UHFFFAOYSA-N
-rxn:4:187185:224596,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(N4CCCCC4C)cc3OC)cc2)C1,NOCJUZVMOXLLCA-UHFFFAOYSA-N
-rxn:4:187197:224742,COC(=O)c1ccc(-c2cc(C3OCCO3)c(OC)cc2OC)cc1CN1CCCCC1,YDXNMAPJBSFTMX-UHFFFAOYSA-N
-rxn:4:187218:223753,Cc1ccc(-c2ccc(CCN3CCC(C(F)(F)F)CC3)cc2)cc1OCCCN1CCN(C)CC1,WQHOVYMUIPOIMW-UHFFFAOYSA-N
-rxn:4:187220:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1F,NLYBZUTUBACEHX-UHFFFAOYSA-N
-rxn:4:187226:223836,COc1ncnc2c1cc(-c1ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc1)n2C(=O)OC(C)(C)C,MNNZILRPPMBCRL-UHFFFAOYSA-N
-rxn:4:187227:224966,FC(F)(F)C1CCN(CCc2cc(-c3ccc(OCC4CCOCC4)cc3)ccc2Cl)CC1,IYDAWQCUCPCZPS-UHFFFAOYSA-N
-rxn:4:187231:224669,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)cc2F)cc1,YDSLFULLNNCJLF-UHFFFAOYSA-N
-rxn:4:187266:223917,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1cc(F)cc(C(=O)N(C)C2CCCCC2)c1,ZJTJGPSVDQBIEI-UHFFFAOYSA-N
-rxn:4:187318:224248,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)c(CN2CCOC(C)C2)c1,HPRYFIBETUKVOL-UHFFFAOYSA-N
-rxn:4:187323:223046,CC1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NC4CC4)c3)cc2OC(F)(F)F)CC1,PGUFUPWBSIIIEC-UHFFFAOYSA-N
-rxn:4:187343:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)c4ccccc4CN4CC=CC4)c(F)c3)c2)CC1,DFMFDKUEWLJEQG-UHFFFAOYSA-N
-rxn:4:187374:224060,COc1c(C(C)(C)C)cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)cc1C(C)(C)C,HDRXBZKYMPVOII-UHFFFAOYSA-N
-rxn:4:187378:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccccc1S(=O)(=O)CC(=O)N1CCCC(C)C1,VFEMHTROWOOBTC-UHFFFAOYSA-N
-rxn:4:187381:224426,CC1CCCCN1C(=O)CS(=O)(=O)c1cccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1,ZIEFIYSWTQXRDN-UHFFFAOYSA-N
-rxn:4:187395:223755,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)SC2=S)cc1,HLRUWCCCGXEMTR-UHFFFAOYSA-N
-rxn:4:187425:224656,COC(=O)c1ccc(-c2ccc(OC)c(OC3CCCC3)c2F)cc1CN1CCC(C)CC1,GWJLTTQGPGIPMM-UHFFFAOYSA-N
-rxn:4:187451:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCCC5)c4)cc3)cc2F)CC1,HIENXJPAYNEKGC-UHFFFAOYSA-N
-rxn:4:187473:222545,COc1ccc(OC)c(C=C2SC(=S)N(c3ccccc3-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)C2=O)c1,GWENKFKUXRJOQQ-UHFFFAOYSA-N
-rxn:4:187487:223077,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1OC,ZDZVFJDJVRDWON-UHFFFAOYSA-N
-rxn:4:187488:223598,CCOc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,QFEHTZWLUWVQTR-UHFFFAOYSA-N
-rxn:4:187503:224959,Clc1cc(-c2ccc(OCC3CCCCO3)cc2)ccc1OCCN1CCC2(CC1)OCCO2,PYAWZYVIFJVIIQ-UHFFFAOYSA-N
-rxn:4:187505:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)c(Cl)c3)cc12,DDROLJSRQPSCOS-UHFFFAOYSA-N
-rxn:4:187514:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4cccc(CN5CCOCC5)c4)cc3)c(F)cc2C)CC1,NEOBMTPIKDHGJS-UHFFFAOYSA-N
-rxn:4:187543:224916,COc1cc(-c2ccc(N3CCCC(C)C3)cc2C)cc(OC)c1CN1CCCC(C)C1,WXWFKQZEJPELBR-UHFFFAOYSA-N
-rxn:4:187544:224649,COc1cc(-c2cc(F)ccc2OCC2CCCCO2)cc(OC)c1CN1CCCCC1C,ZGEPBGMSESCARV-UHFFFAOYSA-N
-rxn:4:187547:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N(CC)C4CCCCC4)cc3C)ccc2OC)CC1,QLDGGPBKVVXRKR-UHFFFAOYSA-N
-rxn:4:187585:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,APISLVLERRHUSX-UHFFFAOYSA-N
-rxn:4:187591:224713,CCCCOc1ccc(-c2ccc(F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,JKOUMZALHMTPHI-UHFFFAOYSA-N
-rxn:4:187595:224615,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cccc(OCCN4CCOCC4)c3)c2)CC1,FTRJPOBDRYSIAY-UHFFFAOYSA-N
-rxn:4:187596:223934,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)ccc2F)CC1,QNEFSIWJQVNJHF-UHFFFAOYSA-N
-rxn:4:187624:222856,COc1ccc(C2CCNCC2)cc1-c1cccc(OC(C)C)c1CN1CCCC(C)C1,PXFYLGSOLCKISW-UHFFFAOYSA-N
-rxn:4:187633:226126,COCc1cc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1C1CC1,NVYMICJCSSANLF-UHFFFAOYSA-N
-rxn:4:187635:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1F,JRZSDYITHBLVSH-UHFFFAOYSA-N
-rxn:4:187648:226056,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3c4c(cc5c3CCC5)CCC4)cc2)C1=O,MHAOHQYDBLKJER-UHFFFAOYSA-N
-rxn:4:187670:223562,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,LIQXSYCUNORULF-UHFFFAOYSA-N
-rxn:4:187810:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc2c1CCN2CC1CC1,PCUYRLMWGJHYHJ-UHFFFAOYSA-N
-rxn:4:187828:223753,Cc1ccc(-c2ccc3c(c2)S(=O)(=O)N(CC(=O)OC(C)(C)C)C3=O)cc1OCCCN1CCN(C)CC1,ABKILRZQYZYUGY-UHFFFAOYSA-N
-rxn:4:187845:222539,CC(C)(C)OC(=O)Cn1ccc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc2c1=O,ZLHVGXMBOWJROC-UHFFFAOYSA-N
-rxn:4:187909:224280,CC(C)N(C(=O)c1ccc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc2c1)C(C)C,KFNMWCYOTXFKJQ-UHFFFAOYSA-N
-rxn:4:187918:223093,COc1cc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,WEFZMPWGRSMGQY-UHFFFAOYSA-N
-rxn:4:187919:223755,CCOc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1S(=O)(=O)N1c2ccccc2CC1C,BWLUVHZKMOLAGN-UHFFFAOYSA-N
-rxn:4:187936:224198,CCN1CCN(Cc2ccc(-c3cc(OC)c(S(=O)(=O)N4CCCc5ccccc54)cc3OC)c(F)c2)CC1,NLEOORCPBXSQQO-UHFFFAOYSA-N
-rxn:4:187943:223776,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c2c1CCN(C(=O)OC(C)(C)C)CC2,CMWKKNRVIAVKDO-UHFFFAOYSA-N
-rxn:4:187945:226121,CCc1cc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)ccc1OC(C)C,JSFYSBVSNZUABK-UHFFFAOYSA-N
-rxn:4:187957:224915,Cc1cc(N2CCCCC2C)ccc1-c1cccc(C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c1,GZOAQHPKQYCKKW-UHFFFAOYSA-N
-rxn:4:187961:225113,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc1)CC(C)(C)CC2=O,HBXWDHMXGHSDRD-UHFFFAOYSA-N
-rxn:4:187969:223649,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc21,DMHCWZZLIWPGLY-UHFFFAOYSA-N
-rxn:4:187970:222545,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c2ccccc21,XBVQPIATXUJGPF-UHFFFAOYSA-N
-rxn:4:187999:226055,COc1cc(-c2ccc3c4c(cccc24)CC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,OXBIWFCOTUQTIT-UHFFFAOYSA-N
-rxn:4:188653:223790,Cc1c([N+](=O)[O-])ccc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c1OC(F)F,ALJQJCBXQYSMLN-UHFFFAOYSA-N
-rxn:4:189215:223926,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,AFMXLDYABJEABM-UHFFFAOYSA-N
-rxn:4:189231:223755,Cc1nc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)sc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,VFIBRWCIKFGRQI-UHFFFAOYSA-N
-rxn:4:189269:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C(=O)OC(C)(C)C)n3)cc21,PXBJEGIMGHXSHB-UHFFFAOYSA-N
-rxn:4:189389:222604,COc1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,WPOBJDAHPINFIO-UHFFFAOYSA-N
-rxn:4:189507:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,ZJZMSKZPRMSRDM-UHFFFAOYSA-N
-rxn:4:189507:224738,O=S(=O)(c1cc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)N1CCC1,DAERPWPLEJCJGL-UHFFFAOYSA-N
-rxn:4:189543:222465,COC1CN(Cc2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,YFZTYNPIUMLTQY-UHFFFAOYSA-N
-rxn:4:189720:223895,CCN1CCN(CCOc2ccc(-c3cc(OC(F)(F)F)cc(N4CCOCC4)c3)cc2)CC1,RFEXZDVGBVUGKN-UHFFFAOYSA-N
-rxn:4:189808:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)CN3CCOCC3)c2)CC1,KYHSKOHQKZYUPP-UHFFFAOYSA-N
-rxn:4:189869:222947,O=C(c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)c(C(F)(F)F)c1)N1CCSCC1,ZGEAKDGDJPYHEG-UHFFFAOYSA-N
-rxn:4:189870:223945,O=C(c1cc(C(F)(F)F)ccc1-c1ccc(OCCCN2CCOCC2)c(F)c1)N1CCOCC1,ZMPXPDWUTRHAEP-UHFFFAOYSA-N
-rxn:4:189889:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)ccn1)C(F)(F)F,FXCTWNVONJRAPH-UHFFFAOYSA-N
-rxn:4:189959:224308,COC(=O)c1cc(F)c(N2CCOCC2)cc1-c1cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c1,RWHRCVLFYWMUPX-UHFFFAOYSA-N
-rxn:4:189973:222957,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc(C2CCCNC2)c1,JYUPKUFNFGTNNY-UHFFFAOYSA-N
-rxn:4:189975:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4SC(=S)N(Cc5ccccc5)C4=O)o3)c(F)cc2C)CC1,OJGFJZNEWLWVQF-UHFFFAOYSA-N
-rxn:4:190034:223895,C#Cc1ccc(-c2ccc(OCCN3CCN(CC)CC3)cc2)cc1N1CCC(C(F)(F)F)CC1,KXCALZNOYJMSCW-UHFFFAOYSA-N
-rxn:4:190055:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(F)cc2CC(=O)N2CCC(F)(F)CC2)c1F,MRSAQUNHLKTAFJ-UHFFFAOYSA-N
-rxn:4:190086:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4C(=O)C(=CC=Cc5ccco5)SC4=S)c3)c(F)cc2C)CC1,FKCORCJQJYKYSS-UHFFFAOYSA-N
-rxn:4:190102:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(CCN2CCC(F)CC2)cc1,DPQZKEDHAZNGLK-UHFFFAOYSA-N
-rxn:4:190161:224753,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,FPURABWABUPNQD-UHFFFAOYSA-N
-rxn:4:190214:222723,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,MCOBFJOTVVNSOO-UHFFFAOYSA-N
-rxn:4:190246:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C4=NC(=Cc5ccc(OC)cc5)C(=O)O4)cc3)c2)CC1,SDSOFFODLHEWLR-UHFFFAOYSA-N
-rxn:4:190260:223712,COc1ccc(-c2ccc(C3CCCN3C(=O)C(C)C)cc2)cc1C12CC3CC(CC(C3)C1)C2,SWJBLRBTHYXFFX-UHFFFAOYSA-N
-rxn:4:190276:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N(C)C4(C)CCS(=O)(=O)C4)cc3)c(F)ncc21,FCELSBPSWGAPPE-UHFFFAOYSA-N
-rxn:4:190322:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4CCN(S(=O)(=O)CC)CC4)cc3)cc2)CC1,PFIOPACSLKCUEW-UHFFFAOYSA-N
-rxn:4:190358:223501,Cc1cccc(SC2CC(=O)N(c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)C2=O)c1,CZGAGOKLWWSGJJ-UHFFFAOYSA-N
-rxn:4:190374:222942,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1C,DNUPLXUGPUMKOA-UHFFFAOYSA-N
-rxn:4:190451:222741,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,RKUFTNZQEHOBMT-UHFFFAOYSA-N
-rxn:4:190451:225292,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(OC(C)C)c(C(F)(F)F)c1,NZULYYZYKWSDHH-UHFFFAOYSA-N
-rxn:4:190453:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCSC(c5ccccc5C)CC4)o3)cc2)CC1,QWDJUBIYXBHMIB-UHFFFAOYSA-N
-rxn:4:190777:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2ccn(C(=O)OC(C)(C)C)c2c1,BUNSEVXKEPNLPB-UHFFFAOYSA-N
-rxn:4:190834:223578,CC(C)(C)OC(=O)N1Cc2cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc(F)c2C1=O,KTWVKXSYXBOJSB-UHFFFAOYSA-N
-rxn:4:190925:222698,COc1ccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c(C(=O)N2C3C=CCC2CC3)c1,GUZUOFIYIDPGBZ-UHFFFAOYSA-N
-rxn:4:190927:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)c1,MXIXWKGUJFXNEA-UHFFFAOYSA-N
-rxn:4:190972:225465,CN1CCC(c2cccc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)c2)CC1,GZIVMVIZRBCJPV-UHFFFAOYSA-N
-rxn:4:190996:223559,CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc12,RDVZCHZDTCURJE-UHFFFAOYSA-N
-rxn:4:191014:222540,COc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,AQZOAVQHNRVCKK-UHFFFAOYSA-N
-rxn:4:191031:224853,CC1(C)CCC(c2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,UWYGGXWBSPLMGT-UHFFFAOYSA-N
-rxn:4:191040:223895,CCN1CCN(CCOc2ccc(-c3ccc4cc(OC(=O)N5CCCCCC5)ccc4c3)cc2)CC1,KJTUZZNZBUSADS-UHFFFAOYSA-N
-rxn:4:191040:224059,COc1c(-c2ccc3cc(OC(=O)N4CCCCCC4)ccc3c2)cc(C(C)(C)C)cc1C(C)(C)C,GNCVOFFTGHGXAA-UHFFFAOYSA-N
-rxn:4:191058:225828,COC(=O)C1CCN(C2CCc3cc(-c4cnc(N5CCCCCC5)nc4)ccc32)CC1,CUABOAFACCCWQO-UHFFFAOYSA-N
-rxn:4:191062:224884,CC1CCN(Cc2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)CC1,MWDHKXXTASGXEF-UHFFFAOYSA-N
-rxn:4:191062:225438,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1)N1CCCC1,QVUQHOIRLINHHM-UHFFFAOYSA-N
-rxn:4:191091:222973,CC(C)(C)NC(=O)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)c1,QUQAQWHKVQMRHP-UHFFFAOYSA-N
-rxn:4:191092:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c(C)c1,MXBFQRSUONOOTJ-UHFFFAOYSA-N
-rxn:4:191103:224277,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)cc32)CC1,BCRNZOHTYWWDCQ-UHFFFAOYSA-N
-rxn:4:191105:223182,CCNS(=O)(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,RGUVHSQOMDTWMN-UHFFFAOYSA-N
-rxn:4:191105:227069,COc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1,QUVJVUGSEFCFFQ-UHFFFAOYSA-N
-rxn:4:191117:227350,COc1cc(C)cc(OC)c1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,GZEMUYPIOXIUOS-UHFFFAOYSA-N
-rxn:4:191118:223941,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc12,DMGSIZHYNBWPSC-UHFFFAOYSA-N
-rxn:4:191122:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3S(=O)(=O)c2ccc(OC)cc2)cc1C,VENDDUGOIGCKFK-UHFFFAOYSA-N
-rxn:4:191123:226921,Cc1cc(C)c(C2CC2)cc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,LLLNGZUDLXPGKB-UHFFFAOYSA-N
-rxn:4:191124:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,CYYJQKCBVISYRT-UHFFFAOYSA-N
-rxn:4:191124:223863,CC(C)COc1ccc(-c2ccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,GVMOPAAQOMUSCG-UHFFFAOYSA-N
-rxn:4:191129:223929,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)ccc3O2)CC1,JILZJQWKZACIFS-UHFFFAOYSA-N
-rxn:4:191129:227371,COc1c(C)ccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1OC,ZTKICZBHWMBOGE-UHFFFAOYSA-N
-rxn:4:191138:224612,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SKKSZDCAFPHEOZ-UHFFFAOYSA-N
-rxn:4:191146:223814,O=C(ON1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)c1ccccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,PCIHVSJLXJNGBX-UHFFFAOYSA-N
-rxn:4:191172:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1,GROKYQJCTMUOFY-UHFFFAOYSA-N
-rxn:4:191195:223206,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3ccc(C#N)cc3[nH]1)c1c2CCC1,GRFCIQLETDARKR-UHFFFAOYSA-N
-rxn:4:191197:224250,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cc(C(=O)N4CCCCC4C)ccc2F)c1)N(CC1CCCO1)C3=O,TYAQNXLOZCIORQ-UHFFFAOYSA-N
-rxn:4:191634:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(F)c([N+](=O)[O-])cc2C(F)(F)F)CC1,UTBRYDQANXMRAQ-UHFFFAOYSA-N
-rxn:4:193122:223813,O=C(c1cc(F)c(F)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1)N1CCCC1,ABMSZCPVTZDHIA-UHFFFAOYSA-N
-rxn:4:193242:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)c2)CC1,HEMGSNSIBODAQI-UHFFFAOYSA-N
-rxn:4:193248:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)c(N4CCCC4)c3)c2)CC1,XEFAAYIWQZGSPT-UHFFFAOYSA-N
-rxn:4:193248:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(N4CCCC4)c3)cc2)CC1,BLZYGJANVAYGTC-UHFFFAOYSA-N
-rxn:4:193430:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4C(=O)N4CCCC4C)c3C(=O)C1C2(C)C,LKKBPUOKNIZLDG-UHFFFAOYSA-N
-rxn:4:193503:224316,Cc1c(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,PQMBYILZGVWMJN-UHFFFAOYSA-N
-rxn:4:193503:224318,Cc1c(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,CCAQUOKMYDXMOE-UHFFFAOYSA-N
-rxn:4:193504:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(F)CC2)c1F,FTQLEJYGPDZWGL-UHFFFAOYSA-N
-rxn:4:193516:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCCC(F)(F)C3)c2F)cc1,ZLVBVBXGXJCION-UHFFFAOYSA-N
-rxn:4:193518:222741,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,BIJQDBKZGTUHJL-UHFFFAOYSA-N
-rxn:4:193518:223750,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)cc1,VRLNYKFWUGEPAD-UHFFFAOYSA-N
-rxn:4:193555:222540,N=S(=O)(c1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1)C1CCOCC1,NTORGYYDNYGUFJ-UHFFFAOYSA-N
-rxn:4:193587:222612,COc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc(N2CCCCC2=O)c1,LTASZJNQRGEEJD-UHFFFAOYSA-N
-rxn:4:193605:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)c2)CC1,GFEXUHJAOFUGNO-UHFFFAOYSA-N
-rxn:4:193639:225200,Fc1ccc(-c2cccc(N3CCC(F)(F)CC3)c2C(F)(F)F)c(F)c1OC1CCCC1,XCEVVTVHMKDTGH-UHFFFAOYSA-N
-rxn:4:193686:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(F)cc2C)CC1,KPKUYXNTSXKDJC-UHFFFAOYSA-N
-rxn:4:193764:223508,Cc1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc(C(=O)N2CCCCC2)c1F,KVUPNUXGFCPHPX-UHFFFAOYSA-N
-rxn:4:193768:223508,Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C(=O)N2CCCCC2)c1F,HLLUOMOOHWLAQI-UHFFFAOYSA-N
-rxn:4:193789:223843,CCN1CCC(c2ccc(-c3ccc(S(=O)(=O)N(CC)CC)cc3C(F)(F)F)cc2)CC1,CSJQSTJFOIVFRB-UHFFFAOYSA-N
-rxn:4:193843:222514,COc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)NC1CCCCC1,SLUCPYOWWSHDDJ-UHFFFAOYSA-N
-rxn:4:193844:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCCC2)c1,SDDFBKJTDAFERJ-UHFFFAOYSA-N
-rxn:4:193867:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)CC1,UZEHWYATNYGUSS-UHFFFAOYSA-N
-rxn:4:193886:223481,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,IHCWIRUKSQVCGZ-UHFFFAOYSA-N
-rxn:4:193933:224766,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c1,GXNQQXVNMQUPRL-UHFFFAOYSA-N
-rxn:4:193974:222901,CCCS(=O)(=O)NCc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,UFLRCIGDYNETQM-UHFFFAOYSA-N
-rxn:4:194456:223599,CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc2cc(C(F)(F)F)ccc21,FAEHLQYQBDLGNP-UHFFFAOYSA-N
-rxn:4:194536:223969,Cc1cc(C(=O)N2CC3CC3C2)ccc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,IHNYSQCMAZUREX-UHFFFAOYSA-N
-rxn:4:194572:224881,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cccc(CN2CCCCCC2)c1,MDZUBJQUUNOEMY-UHFFFAOYSA-N
-rxn:4:194592:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3C=CCC2CC3)cc1S(=O)(=O)NC1CCCC1,DDXCNYCEYGUKDB-UHFFFAOYSA-N
-rxn:4:194730:224132,COC1CCN(C2CCc3cc(-c4ccccc4C(=O)N(C)C4CCCCC4)ccc32)CC1,SXKARUVLAJXGCN-UHFFFAOYSA-N
-rxn:4:194732:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1OC(F)(F)F,MFPYEHKHACTULL-UHFFFAOYSA-N
-rxn:4:194737:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCCCC5)cc4c3)c(F)c2)CC1,OEUOIEPOCSZWIY-UHFFFAOYSA-N
-rxn:4:194748:225111,COc1ccc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)c(F)c1OCC(C)C,NHTARJSSVURSHJ-ZBLYBZFDSA-N
-rxn:4:194764:224404,O=C1CC2(CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)o3)CC2)Oc2ccccc21,DHIUAHDQVCUQDQ-UHFFFAOYSA-N
-rxn:4:194768:223901,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)ccc32)CC1,NIUNZFJXRAPACK-UHFFFAOYSA-N
-rxn:4:194768:224087,COC1CCN(C2CCCc3cc(-c4cccc(OCCN5CCCCCC5)c4)ccc32)CC1,UFBFNZSIKQHLEW-UHFFFAOYSA-N
-rxn:4:194777:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)OC(C)(C(=O)N2CCCc4ccccc42)C3)cc1,IQAAEYOTOCUAIT-UHFFFAOYSA-N
-rxn:4:194783:222635,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)c2ccc(C)cc21,DLLJGZCSTOMAGN-QHCPKHFHSA-N
-rxn:4:194792:223753,Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(Cl)cc5)C(=O)C34)cc2)cc1OCCCN1CCN(C)CC1,HUEHASWLRFYBPA-UHFFFAOYSA-N
-rxn:4:196213:223504,Cc1cc(C2CC2)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,IFEAHGKJQUWMJO-UHFFFAOYSA-N
-rxn:4:197302:223521,CC(c1cccc(-c2cc(C(F)(F)F)c3cc(F)ccc3n2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,VFWNFBCINKMIKW-UHFFFAOYSA-N
-rxn:4:197940:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(S(C)(=O)=O)cc3c2OC(C)(C)C(=O)N3C)cc1,DGRVPMVHOBTQLV-UHFFFAOYSA-N
-rxn:4:197984:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(-n3c(C)cc4c3CC(C)(C)CC4=O)cc2)c1,UUCOEZZBSFDKOF-UHFFFAOYSA-N
-rxn:4:197988:223712,COc1ccc(-c2cccc3c2CCCC3N2CCC(C)CC2)cc1C12CC3CC(CC(C3)C1)C2,MCVVNKAWMVMVMB-UHFFFAOYSA-N
-rxn:4:197989:224172,CC1CCCCN1C1CCCc2cc(-c3cccc(CN(C)C(=O)OC(C)(C)C)c3)ccc21,KXLONODSCPKAQW-UHFFFAOYSA-N
-rxn:4:199459:223529,CCOC(=O)Cc1cc(C#N)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1[N+](=O)[O-],JCCYMVFHIWDXAI-UHFFFAOYSA-N
-rxn:4:199463:224689,CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1-c1ccc(C(=O)N2CCCCC2)cc1Cl,MBNKVZNYTNTZKF-UHFFFAOYSA-N
-rxn:4:199500:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc2)cc1,FHDMOSOKRWZHRB-UHFFFAOYSA-N
-rxn:4:199539:222622,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)cc1,CVGOQLNEBHEXGU-UHFFFAOYSA-N
-rxn:4:199541:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)OC)cc3OCC(C)=Cc3cnccn3)cc2C)CC1,ZKSFJJWMECZSBE-UHFFFAOYSA-N
-rxn:4:199547:224890,CC(C)(C)OC(=O)N(CC1CC1)c1cc(-c2cc(C3CC3)cc(N3CCCC3)c2)ccn1,SZXCDAZUDHLIFZ-UHFFFAOYSA-N
-rxn:4:199554:225717,COCCOCc1ccc(F)cc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)c(C#N)c1,OLPKLQYIWLTOOW-UHFFFAOYSA-N
-rxn:4:199570:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cncc(OC[C@H]2CCN2C(=O)OC(C)(C)C)c1,VGVVMMJBLWONHT-MRXNPFEDSA-N
-rxn:4:199594:226844,CCC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,DOVNIFLENWIYLM-UHFFFAOYSA-N
-rxn:4:199597:224763,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cc(Cl)ccc2C(=O)N2CCOCC2)CC1,XUGNGVJLUZZFTB-UHFFFAOYSA-N
-rxn:4:199607:224782,CN1CCN(c2cc(-c3ccc(CSC4=NCCN4C(=O)Cc4ccc(F)cc4)cc3)cc(F)c2F)CC1,VFQYHVVKOBLLBB-UHFFFAOYSA-N
-rxn:4:199620:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)C(C)(C)OC(C)=O)C2)cc1,RJLPQEOQJUBJFP-UHFFFAOYSA-N
-rxn:4:199622:226844,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,UJIWELNTOCQAOY-UHFFFAOYSA-N
-rxn:4:199705:225284,CCN1CCN(CCCOc2cc(-c3cnc(C(F)(F)F)c(CC(C)C)c3)ccc2C)CC1,CBSKQIIGDYSMAE-UHFFFAOYSA-N
-rxn:4:199750:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C(=O)Oc3ccccc3C(=O)c3cnn(C(C)(C)C)c3)c2)c(F)c1,HAGTWBOLWLZVAB-UHFFFAOYSA-N
-rxn:4:199765:223279,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,LCSJHPBMGJJWGZ-UHFFFAOYSA-N
-rxn:4:199787:226844,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],SYMOZPIEHQSWIE-UHFFFAOYSA-N
-rxn:4:199801:226844,CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,AJNVMWHLRFHCCH-UHFFFAOYSA-N
-rxn:4:199810:227970,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccncc1C(C)(C)C,FUIGGFSDDQJFKJ-UHFFFAOYSA-N
-rxn:4:199825:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1)C(=O)OC(C)(C)C,PFLZDIYJAODZLR-UHFFFAOYSA-N
-rxn:4:199826:226844,CC1CN(CCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCN1C(=O)OC(C)(C)C,GEUZAWRDYKTRPQ-UHFFFAOYSA-N
-rxn:4:199855:222956,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1ccc(C)cc1C1CCCNC1,YJXDSZPKNASHFX-UHFFFAOYSA-N
-rxn:4:199882:224028,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(C(C)(C)C)c1,MLHKUPHWAMMHMZ-SXOMAYOGSA-N
-rxn:4:199937:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N=c4sc5cc(S(C)(=O)=O)ccc5n4CCOC)s3)c2)CC1,ZKYGWVCQPOQBPC-UHFFFAOYSA-N
-rxn:4:199957:224367,COC(=O)CC1CCN(C(=O)Cn2ccc3ccc(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)cc32)CC1,CLEQCAIOOGEGAH-UHFFFAOYSA-N
-rxn:4:199988:222948,CCOCCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc21,NCTXBAUNYNLKCR-UHFFFAOYSA-N
-rxn:4:199992:227234,CCOc1cccc(-c2cc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc(OCC)c2OCC)c1C#N,OJBPHZWRLOCHOZ-UHFFFAOYSA-N
-rxn:4:200022:223279,O=C(OCc1ccccc1)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,VSBPAXZVAMIRGI-UHFFFAOYSA-N
-rxn:4:200025:224662,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cc(F)ccc3CN3CCN(C)CC3)ccc21,VUFGZOLTMDDSDG-UHFFFAOYSA-N
-rxn:4:200028:223997,Cc1cc(-c2ccc(CSc3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,KALKRRKEHWLDOO-UHFFFAOYSA-N
-rxn:4:200056:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)c1,FOHSXAHPWDFRIY-UHFFFAOYSA-N
-rxn:4:200063:224612,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1ccc(OCCN2CCOCC2)cc1,SGMMBJOQOQHNHD-UHFFFAOYSA-N
-rxn:4:200065:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCCCC7)ccc(c56)C4=O)cc3)ccc21,WSSASGXTNMDJSJ-UHFFFAOYSA-N
-rxn:4:200119:223895,CCN1CCN(CCOc2ccc(-c3c(CC(=O)OC)ccc([N+](=O)[O-])c3C#N)cc2)CC1,YIBDTLZBIWFMJR-UHFFFAOYSA-N
-rxn:4:200145:222540,COC(=O)Cc1c([N+](=O)[O-])ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1C#N,ZBUAQMDHNAGTMI-UHFFFAOYSA-N
-rxn:4:200146:222540,COC(=O)Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc(C#N)c1[N+](=O)[O-],WGNFAKCVPJGIQE-UHFFFAOYSA-N
-rxn:4:200172:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccn(COC(=O)OC(C)(C)C)n3)cc21,INCYAVNBRYPBRC-UHFFFAOYSA-N
-rxn:4:200177:224352,CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCOC2)c(C(F)(F)F)c1,GPTBCHKUVIBIMO-UHFFFAOYSA-N
-rxn:4:200208:223522,CCOC(=O)c1n[nH]c(CC(C)C)c1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,CXOUSFHMGSXDJU-UHFFFAOYSA-N
-rxn:4:200294:223636,Cc1cnn(COCC[Si](C)(C)C)c1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,VNBQXFSOPKHPPY-UHFFFAOYSA-N
-rxn:4:200314:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccccc3)o2)c1,NNFSGPONCLFAQW-UHFFFAOYSA-N
-rxn:4:200319:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3c(F)cccc3Cl)o2)c1,XZOWXCBZBFFGND-UHFFFAOYSA-N
-rxn:4:200319:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN=C4SCc4c(F)cccc4Cl)o3)c2)CC1,MNDLFZKEBZVNQF-UHFFFAOYSA-N
-rxn:4:200328:224198,CCN1CCN(Cc2ccc(-c3ccc(OCCCN4CCCCC4)nc3)c(F)c2)CC1,POLSVFWJDHQSNK-UHFFFAOYSA-N
-rxn:4:200330:225176,O=[N+]([O-])c1ccc(OCCN2CCCCC2)c(-c2ccc(CN3CCOCC3)c(Cl)c2)c1,ZNEOGBKEUNEIMZ-UHFFFAOYSA-N
-rxn:4:200336:224790,CCCOc1cc(-c2cccnc2OC2CCN(C(=O)CC3CC3)C2)ccc1OC(F)(F)F,CYFJRAMQORBQFD-UHFFFAOYSA-N
-rxn:4:200337:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CN(C(=O)OC(C)(C)C)C2)cc1,HBSURKOYIOCSDB-UHFFFAOYSA-N
-rxn:4:200340:226894,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)CC2)c(-c2cc(Cl)c(F)cc2C(F)(F)F)c1,QDFDETHEEALNNL-UHFFFAOYSA-N
-rxn:4:200372:224458,CC1CCN(C(C)c2ccc(-c3ccccc3CCC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)CC1,WNMCQKXJLMVFRN-UHFFFAOYSA-N
-rxn:4:200382:222632,Cc1ccc(CSC2=NCCN2C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)o2)cc1,MTLUAAUKJROEJS-UHFFFAOYSA-N
-rxn:4:200398:223918,CN(C(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCN=C2SCc2ccccc2F)c1)C1CCCCC1,YMQNROHZMKPNFQ-UHFFFAOYSA-N
-rxn:4:200440:226844,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XHIUUNGMALZJJQ-UHFFFAOYSA-N
-rxn:4:200451:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(Cl)cc3)cc2)c1,UHVGXNQWPFVTRP-UHFFFAOYSA-N
-rxn:4:200492:225382,O=C(CCc1ccccc1-c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CC(N2C(=O)CCC2=O)C1,CJPBXRPMYWUJLT-UHFFFAOYSA-N
-rxn:4:200492:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)CCC2=O)C1,QWPISPJSYVLVCM-UHFFFAOYSA-N
-rxn:4:200566:225306,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1c(OC)cc(F)c([Si](C)(C)C)c1F,PZSZJPYKAMPZQX-UHFFFAOYSA-N
-rxn:4:200567:225320,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)c(C)c2)CC1,IJVHLBLSESBGAX-UHFFFAOYSA-N
-rxn:4:200568:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,LGEBEXWJYSUWDC-UHFFFAOYSA-N
-rxn:4:200583:222540,Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)c1,FBQOJUBMZVGMOW-UHFFFAOYSA-N
-rxn:4:200591:224251,Cc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1OCCCN1CCN(C)CC1,ORCYVFYIQGNGGY-UHFFFAOYSA-N
-rxn:4:200614:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c(C(F)(F)F)c1,XNNAUJRUDUQEGY-UHFFFAOYSA-N
-rxn:4:200631:224541,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccccc3OCc3cccc(Cl)c3)c2)SC1=S)N1CCOCC1,CQBUZFUJGYDGLU-UHFFFAOYSA-N
-rxn:4:200644:222928,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(N4CCC(O)CC4)nc3C)cc2OC)CC1,HWXXLCHULVVVHC-UHFFFAOYSA-N
-rxn:4:200654:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,FGNCFDVUFZLXHC-UHFFFAOYSA-N
-rxn:4:200657:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,NTGRZDCBKLATNE-UHFFFAOYSA-N
-rxn:4:200667:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N(C(=O)N4CCCCC4)c4ccc(C)cc4)o3)c2)CC1,ACNGZPHAAADZSH-UHFFFAOYSA-N
-rxn:4:200688:222603,CCN(CC)Cc1ccc(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cc1N1CCCCC1,BNZASUNMJNUNRQ-UHFFFAOYSA-N
-rxn:4:200695:222632,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)CC1,URVIZTYVKLJCKV-UHFFFAOYSA-N
-rxn:4:200712:227213,CCCCSc1cncc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,KBBMLBFTJUFUHC-UHFFFAOYSA-N
-rxn:4:200717:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CC1,FUDAXOQUQALHNZ-UHFFFAOYSA-N
-rxn:4:200731:226844,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc2C(F)(F)F)CC1,RJQXMVNXVUHTHI-UHFFFAOYSA-N
-rxn:4:200740:227332,CC(C)Oc1ccc(Cl)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F,WWYBGJUTIINDFK-UHFFFAOYSA-N
-rxn:4:200763:224429,COc1ncc(-c2ccc3cc(OCC(C)C)ccc3c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,GLXRBUUCARNBRF-UHFFFAOYSA-N
-rxn:4:200773:222960,COc1ccc(OC)c(C2CC(c3ccc(-c4cc(C)cc(C5CCNCC5)c4)cc3)=NN2S(C)(=O)=O)c1,WAAYNSGXAFKGPJ-UHFFFAOYSA-N
-rxn:4:200775:222540,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)SC2=S)cc1,QQRYWQBORLTCMS-UHFFFAOYSA-N
-rxn:4:200789:222540,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(F)c1,NJFGYMZDKAOMNM-UHFFFAOYSA-N
-rxn:4:200816:223279,C[C@@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,QZQVBPLIJFIEAD-ZZWBGTBQSA-N
-rxn:4:200817:226907,CC(c1ccccc1-c1cccc2c1CCC21CC1)N1CCN(C(=O)OC(C)(C)C)CC1,GGDDMPXJCWJBHZ-UHFFFAOYSA-N
-rxn:4:200820:222632,C[C@@H]1CN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,CWOUTLPVSGHLNV-JOCHJYFZSA-N
-rxn:4:200820:223239,C[C@@H]1CN(Cc2ccc(-c3cncc(C4CCCN4)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,QCJLLVXMKLRBGO-QFADGXAASA-N
-rxn:4:200837:223960,CCN1CCN(C(=O)c2cc(-c3ccccc3CCC(=O)N3CCCN(C4CCSC4)CC3)ccc2F)CC1,MZCTZFSTZYMSSY-UHFFFAOYSA-N
-rxn:4:200843:223935,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c(C3CC3)c2)CC1,NTZJKOQYBWVFOS-UHFFFAOYSA-N
-rxn:4:200854:228681,COC(=O)C1CCCN(Cc2ccc(-c3ccnn3CC3CC3)cc2N2CCOCC2)C1,GGAJIKMKZZBXRZ-UHFFFAOYSA-N
-rxn:4:200866:226907,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cccc3c2CCC32CC2)c1,ZTAWIQUTNSVZPW-UHFFFAOYSA-N
-rxn:4:200868:222555,COc1ccc(NC(=O)c2ccc(-c3ccccc3C(C)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2)cc1,PLDQTKPGCGDOMU-UHFFFAOYSA-N
-rxn:4:200871:225881,Cc1cc(-c2ccc(C3CCOCC3)nc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RALWEOJPPAYNIZ-UHFFFAOYSA-N
-rxn:4:200878:222632,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)o2)CC3)cc1,XWVKDECPSXBTFP-UHFFFAOYSA-N
-rxn:4:200885:229012,COC(=O)C1CCN(Cc2ccc(-c3sccc3C(C)C)cc2N2CCCCC2)CC1,JICDPEACZIENBL-UHFFFAOYSA-N
-rxn:4:200890:222583,CCOc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,FBCXITGIIMOMTR-UHFFFAOYSA-N
-rxn:4:200890:222622,CCOc1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,LYOKZFMSCFMUJT-UHFFFAOYSA-N
-rxn:4:200903:222540,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2C(C)C)CC1,PWQMSMDRORZPEX-UHFFFAOYSA-N
-rxn:4:201008:223895,C#CCn1c(=NC(=O)c2ccccc2-c2ccc(OCCN3CCN(CC)CC3)cc2)sc2cc(S(C)(=O)=O)ccc21,SYSNYDCIADOYKU-UHFFFAOYSA-N
-rxn:4:201031:224978,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cc(-n4ccnc4)ccc3C3CC3)ccc21,RHDWLJUQEXMUOH-UHFFFAOYSA-N
-rxn:4:201034:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)N(c3ccccc3)C(C)C)cc2)CC1,UXQZJEVGNWXIQF-UHFFFAOYSA-N
-rxn:4:201060:224406,O=S(=O)(c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc4ccccc34)cc2)ccc1F)N1CCOCC1,JQFMXYGZEGULDH-UHFFFAOYSA-N
-rxn:4:201087:223755,CC1CCN(CCCOc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(Oc4ccncc4)C5)cc3)cc2F)CC1,NDZWFVHUDUDGOP-UHFFFAOYSA-N
-rxn:4:201097:223609,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)cc3C2)C1,XADVWTNNGDJLJW-UHFFFAOYSA-N
-rxn:4:201167:222540,CCOc1ccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,BOHWJUMZJLHINC-UHFFFAOYSA-N
-rxn:4:201171:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,ZBYNPOXAQRGSGM-UHFFFAOYSA-N
-rxn:4:201192:222868,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4NC(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,KZLPFYQENIVGTD-UHFFFAOYSA-N
-rxn:4:201328:223574,COC(=O)CN(C)c1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,BNTYFGHDJUDDEA-UHFFFAOYSA-N
-rxn:4:201459:223832,CCN(CC)c1ncc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,PSNZBIDBXUVXFZ-UHFFFAOYSA-N
-rxn:4:201516:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4cc(C(F)(F)F)cnc4C#N)cc3)cc2)CC1,ZIMAQPVTNDORPS-UHFFFAOYSA-N
-rxn:4:201569:224318,CC(=O)N(c1c(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cccc1[N+](=O)[O-])C(C)C,KHXKVWBGGMJTDO-UHFFFAOYSA-N
-rxn:4:201570:224325,COC1CN(Cc2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc([N+](=O)[O-])c2)C1,VUXGKZPWWNGLQD-UHFFFAOYSA-N
-rxn:4:201634:223753,CC(=O)Oc1csc(=Nc2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)n1C(C)=O,KZXDXAPXQSGGSY-UHFFFAOYSA-N
-rxn:4:201645:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)cc1,SWQKHDGIGBGGMK-UHFFFAOYSA-N
-rxn:4:201646:224569,COC(=O)c1cc(-c2cc(F)cc(OCC3CCCCC3)c2)nn1CC1CCOCC1,YWEOSNFEYVZGND-UHFFFAOYSA-N
-rxn:4:201693:223960,CCOC(=O)c1ncc(-c2ccc(F)c(C(=O)N3CCN(CC)CC3)c2)cc1N1CCOCC1,VRDPROCNROUUSN-UHFFFAOYSA-N
-rxn:4:201732:224196,CCOC(=O)C1CCC(n2cc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)CC1,BYDMMQZWRQQDBD-UHFFFAOYSA-N
-rxn:4:201755:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CC(Oc5ccncc5)C4)c(F)c3)cn2)CC1,WFWCITURJLPWES-UHFFFAOYSA-N
-rxn:4:201814:225332,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cc(OC(F)(F)F)ccc1OCC,DFIJTGOLBMJJMN-UHFFFAOYSA-N
-rxn:4:201823:224612,O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1-c1ccc(OCCN2CCOCC2)cc1,DXIWKRXQOITNMN-UHFFFAOYSA-N
-rxn:4:201834:223659,CC(C)(C)OC(=O)N1CC=C(c2nc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cs2)CC1,XMXGBWYBEZYBMY-UHFFFAOYSA-N
-rxn:4:201859:225889,C[Si](C)(C)CCOCn1nccc1-c1cnccc1OC1CCN(C(=O)C2CC(F)(F)C2)C1,YNRILXFJTBAJIF-UHFFFAOYSA-N
-rxn:4:201932:222887,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(C(=O)N4CCNCC4)c3)ccn2)C1,LJHBXVIYSNDNOA-UHFFFAOYSA-N
-rxn:4:201942:224681,CC(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)cc2)CC1,BDGCVHOCSVQYRL-UHFFFAOYSA-N
-rxn:4:201999:225898,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2cnn(CCN3CCOCC3)c2)n1,YOZKVLLYTRXDSW-UHFFFAOYSA-N
-rxn:4:202000:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cn2)c1,KCWYXGMNFBQTBK-UHFFFAOYSA-N
-rxn:4:202005:224198,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OC)c(F)c2)CC1,SOEMXZYNZKNNDA-UHFFFAOYSA-N
-rxn:4:202008:223696,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,LNZPZXQEOPSQQG-UHFFFAOYSA-N
-rxn:4:202026:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(-c3csc(C(C#N)=CC4CCCCC4)n3)cc1)n2C(=O)OC(C)(C)C,NWMMJTOOKVRYGU-UHFFFAOYSA-N
-rxn:4:202063:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1C,VTXXCPPGFKNLGJ-UHFFFAOYSA-N
-rxn:4:202064:224842,CC(C)CC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1,MXFVKOIWCYBKRL-UHFFFAOYSA-N
-rxn:4:202069:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,GVNHVSFUPFEDJY-UHFFFAOYSA-N
-rxn:4:202069:226374,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cncnc3C3CCCCC3)c2)C1,JQTTWKOTZSWRDS-UHFFFAOYSA-N
-rxn:4:202072:222506,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)c2)C(=O)C1,XKEZDIGNZBVHSN-UHFFFAOYSA-N
-rxn:4:202075:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)cc2)cc1,VJBMMLRUDAJUIT-UHFFFAOYSA-N
-rxn:4:202098:225656,CC1CCCCN1c1cncc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,LBMRLCRTVLHKHG-UHFFFAOYSA-N
-rxn:4:202102:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)s2)c1,QFJKDZPQRXPOPD-UHFFFAOYSA-N
-rxn:4:202108:225544,COc1ccc(-c2ncccc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC(C)C,YDEMKWDWPPBTLK-UHFFFAOYSA-N
-rxn:4:202111:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)CC1,DFLVJHUPCVYIKN-UHFFFAOYSA-N
-rxn:4:202114:225768,COc1cc(-c2cncc(C3CCCCN3C(=O)OC(C)(C)C)c2)cc(Cl)c1OC(C)C,PRPUXRLDUGPWNJ-UHFFFAOYSA-N
-rxn:4:202115:225767,CC(C)COc1c(F)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1F,PKFGGECTDIFNFC-UHFFFAOYSA-N
-rxn:4:202121:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cncc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,YKRQXSYJFRLCCB-UHFFFAOYSA-N
-rxn:4:202128:223945,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c2Cl)CC1,ULDZCRATRLNXBV-UHFFFAOYSA-N
-rxn:4:202130:224400,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c(F)n2)C1,PBEULSPFBJMWDW-UHFFFAOYSA-N
-rxn:4:202133:222426,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,BKKFUCUXHHBOGP-UHFFFAOYSA-N
-rxn:4:202141:226844,CC(C)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ZHXHBCRHKXNAFQ-UHFFFAOYSA-N
-rxn:4:202159:223954,O=C1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N=C(c4ccc(Cl)cc4)N4CCOCC4)cc3)cc2F)CC1,LCTMTJXJJCULHL-UHFFFAOYSA-N
-rxn:4:202193:226017,COc1cc(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3N(C)C)cc2)ccc1OC(F)(F)F,QTDYGAUACOUVQR-WOJBJXKFSA-N
-rxn:4:202199:223666,O=C(C1CN(Cc2ccccc2-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)CCO1)N1CCSCC1,IKOHOHWXFRMIBA-UHFFFAOYSA-N
-rxn:4:202222:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ccn2)cc1,NKHFZCRRSOLTSI-UHFFFAOYSA-N
-rxn:4:202227:225352,CC(=O)Oc1ccc(-c2cc(C)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1C(F)(F)F,KQHKBSNJYIEOIH-UHFFFAOYSA-N
-rxn:4:202257:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccccc5)oc4N4CCOCC4)cc3)cc2)CC1,TYWCXAKDDZTNCX-UHFFFAOYSA-N
-rxn:4:202277:226997,CCCOc1cc(C)cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)c1,RHZOOHKRDKLNHW-UHFFFAOYSA-N
-rxn:4:202278:222540,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,LGGPWJHETCSUHJ-UHFFFAOYSA-N
-rxn:4:202310:223176,CS(=O)(=O)NCc1cccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,JCIIXQUJXMHSDK-UHFFFAOYSA-N
-rxn:4:202328:223426,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(/C=N/O)c3)CC2)CC1,CGFKZOMIJUZUGQ-XIEYBQDHSA-N
-rxn:4:202328:226112,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCC4CC4)cc3C)CC2)CC1,FNEIAZHSNPFZDZ-UHFFFAOYSA-N
-rxn:4:202335:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCC3)cc1,MFLIVUDKFJMDDU-UHFFFAOYSA-N
-rxn:4:202335:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCCC3)cc1,XPNRFYZHWDUKRT-UHFFFAOYSA-N
-rxn:4:202336:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccccc5)c(N5CCCCCC5)o4)cc3)cc2F)CC1,NIZUTMBFAIPCGH-UHFFFAOYSA-N
-rxn:4:202356:226844,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,XFECYGUNOCNBMI-UHFFFAOYSA-N
-rxn:4:202519:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(cc3[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,IHUFBZTZDGWXJU-MXVIHJGJSA-N
-rxn:4:202600:224096,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccccc2OCc2ccc(C#N)cc2)c1,ABSHEUFSFNNQDV-UHFFFAOYSA-N
-rxn:4:202604:224350,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1,UKCXOXLLFMVXNX-UHFFFAOYSA-N
-rxn:4:202641:222540,COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2S1(=O)=O,NMWPMGREWURGGQ-UHFFFAOYSA-N
-rxn:4:202662:223168,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cccnc3N3CCNCC3)c2)N2C(=O)C(C)SC2=N1,AUQMQXNXEINFHG-UHFFFAOYSA-N
-rxn:4:202663:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(ccn4CC(=O)N4CCOC(c5ccccc5)C4)c3)c2)CC1,BHFPPVRSRRDRPP-UHFFFAOYSA-N
-rxn:4:202675:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)c3ccccc23)CC1,GKMOGNCBNUOJPM-UHFFFAOYSA-N
-rxn:4:202682:226844,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BLPINSFLRWSHTC-UHFFFAOYSA-N
-rxn:4:202685:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)c1,MPDAFEKHYYHMGF-UHFFFAOYSA-N
-rxn:4:202685:226844,O=C(CCn1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)N1CCC2(CC1)OCCO2,FSHRTTNALGJRMP-UHFFFAOYSA-N
-rxn:4:202720:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCC5)cnc5ccc(C)cc45)cc3)cc2)CC1,VLEGVHZZFNSERO-UHFFFAOYSA-N
-rxn:4:202733:224491,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(F)c(CN(C(C)C)C(C)C)c4)cc3F)C3CS(=O)(=O)CC32)cc1,LOTGBEHYASMQIS-UHFFFAOYSA-N
-rxn:4:202738:223867,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cccc(OCCCN5CCC(C)CC5)c4)cc3F)c3ccccc3S2(=O)=O)cc1,IJGWNMPMULBZIE-UHFFFAOYSA-N
-rxn:4:202754:223870,CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,DTCVSOVSUBOXCN-UHFFFAOYSA-N
-rxn:4:202757:222632,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3)c3ccccc3S2(=O)=O)cc1,JIXODRGWCHPSFD-UHFFFAOYSA-N
-rxn:4:202807:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)c1,ODJPRDFXFIYJAJ-UHFFFAOYSA-N
-rxn:4:202807:222599,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)cc1,SRJWWJXFBOKKMT-UHFFFAOYSA-N
-rxn:4:202807:222619,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1,RLNCZNWVTAUXEA-UHFFFAOYSA-N
-rxn:4:202807:222684,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,DMYFWOUAHBYIDN-UHFFFAOYSA-N
-rxn:4:202807:223059,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCNCC3)cc2Cl)cc1,KLYMPUKAMPYGLA-UHFFFAOYSA-N
-rxn:4:202807:223188,CNc1cc(C(F)(F)F)c(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cn1,KLCUWBQLGPDODC-UHFFFAOYSA-N
-rxn:4:202807:223796,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(COc3cccc(C(F)(F)F)c3)c2)cc1,GGLLEKTXSGNHHY-UHFFFAOYSA-N
-rxn:4:202807:223859,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1,OHZKRLYUSLYAIQ-UHFFFAOYSA-N
-rxn:4:202807:224125,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,GJQKGKLSAPBCOS-UHFFFAOYSA-N
-rxn:4:202807:224153,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1,ITYQYUWLQCCVTO-UHFFFAOYSA-N
-rxn:4:202807:224197,CCN1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2F)CC1,ZFTWYWBAWNNWHV-UHFFFAOYSA-N
-rxn:4:202807:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1OC,MEZPCNWBBXEKHV-UHFFFAOYSA-N
-rxn:4:202807:224718,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1,AQXYOWGFYQEBHM-UHFFFAOYSA-N
-rxn:4:202807:224975,CCN1CCN(c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,WLFPOMFGOOEZQH-UHFFFAOYSA-N
-rxn:4:202807:225633,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCCCC3)nc2)cc1,UNHRBNYXOAUKOP-UHFFFAOYSA-N
-rxn:4:202807:225723,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,JLVQOPABNDJGSB-UHFFFAOYSA-N
-rxn:4:202807:225804,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)cc1,LOFKFVHIFAAONK-UHFFFAOYSA-N
-rxn:4:202807:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,RXNMXYQHDHHOAR-UHFFFAOYSA-N
-rxn:4:203218:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cn3)cc2)CC1,BKYCBYMGRQVRAG-UHFFFAOYSA-N
-rxn:4:203218:224405,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)nc1,VQFKAXSRUNLDST-UHFFFAOYSA-N
-rxn:4:203231:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(Sc2cccc(F)c2)c([N+](=O)[O-])c1,HMNQJEXHOXBEDT-UHFFFAOYSA-N
-rxn:4:203331:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1-n1cccn1,CMMAWYMJHWFWRG-UHFFFAOYSA-N
-rxn:4:203630:222538,CCCc1nc(N2CCOCC2)sc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,PAEHABAACRGRHS-UHFFFAOYSA-N
-rxn:4:203638:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCOCC2)cc1,IZEIOKJHRKNTMU-UHFFFAOYSA-N
-rxn:4:203642:224485,COC(=O)c1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cnc1N1CCOCC1,KYIOAROGRRHKBT-UHFFFAOYSA-N
-rxn:4:203708:225801,O=C(c1ccccc1-c1ccnc(OC2CCCC2)c1Cl)N1CC(N2C(=O)COC2=O)C1,RDHMPHMFQPQJLW-UHFFFAOYSA-N
-rxn:4:203708:225806,O=C(c1ccccc1-c1cnc(OC2CCCC2)cc1F)N1CC(N2C(=O)COC2=O)C1,KCGRJHYGAVZCLR-UHFFFAOYSA-N
-rxn:4:203708:225833,O=C(c1ccccc1-c1ccnc(N2CCCCC2)c1F)N1CC(N2C(=O)COC2=O)C1,QCLTWHKUUIJYDB-UHFFFAOYSA-N
-rxn:4:203708:225849,O=C(c1ccccc1-c1cnc(N2CCCCC2)cc1F)N1CC(N2C(=O)COC2=O)C1,PIDVJMAJMKMTKF-UHFFFAOYSA-N
-rxn:4:203708:225859,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(Cl)c1)N1CC(N2C(=O)COC2=O)C1,AHOZGOJMGQCDOC-UHFFFAOYSA-N
-rxn:4:203708:225867,O=C(c1ccccc1-c1cnc(Cl)c(N2CCCCC2)c1)N1CC(N2C(=O)COC2=O)C1,MXHWAOPQQXVPTM-UHFFFAOYSA-N
-rxn:4:203708:225871,O=C(c1ccccc1-c1cccc(N2C(=O)C=CC2=O)c1)N1CC(N2C(=O)COC2=O)C1,JDSVKYJAXSANAL-UHFFFAOYSA-N
-rxn:4:203708:225923,O=C(c1ccccc1-c1cnc(OC2CCCC2)nc1Cl)N1CC(N2C(=O)COC2=O)C1,YDJQTIFVDGFRPP-UHFFFAOYSA-N
-rxn:4:203708:225934,O=C(c1ccccc1-c1cnc(C(F)(F)F)c(C2CC2)c1)N1CC(N2C(=O)COC2=O)C1,DXTRKVDFBCZTFD-UHFFFAOYSA-N
-rxn:4:203708:225947,CN1CCN(c2ncc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cn2)CC1,LLDQCWUECUVERC-UHFFFAOYSA-N
-rxn:4:203708:225975,O=C(c1ccccc1-c1ccnc(N2CCOCC2)c1Cl)N1CC(N2C(=O)COC2=O)C1,GQSLAJYXMLYNTI-UHFFFAOYSA-N
-rxn:4:203708:225976,O=C(c1ccccc1-c1ccnc(N2CCOCC2)c1F)N1CC(N2C(=O)COC2=O)C1,XMIGVOXHBPBWKH-UHFFFAOYSA-N
-rxn:4:203708:225977,O=C(c1ccccc1-c1cc(Cl)cnc1N1CCOCC1)N1CC(N2C(=O)COC2=O)C1,XHMMLPWMRXBYCB-UHFFFAOYSA-N
-rxn:4:203708:225979,O=C(c1ccccc1-c1cnc(N2CCOCC2)c(Cl)c1)N1CC(N2C(=O)COC2=O)C1,HFDGVVGWWQUGJB-UHFFFAOYSA-N
-rxn:4:203708:225982,O=C(c1ccccc1-c1cnc(N2CCOCC2)cc1F)N1CC(N2C(=O)COC2=O)C1,OAWJDZCXVCJEQU-UHFFFAOYSA-N
-rxn:4:203709:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cn1,SPBQARUJSRIPID-UHFFFAOYSA-N
-rxn:4:203712:225827,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)ccn2)CC1,BJNYNLISJJAPMY-UHFFFAOYSA-N
-rxn:4:203712:225947,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cn2)CC1,LLLUGGAOAOUKEM-UHFFFAOYSA-N
-rxn:4:203759:226844,O=C(c1cc(-c2cc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,CCNLIPNTUZWEQD-UHFFFAOYSA-N
-rxn:4:203780:224758,CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)ccc2F)CC1,RVWNCWMCZHMFRR-UHFFFAOYSA-N
-rxn:4:203818:223812,CCN1CCN(C(=O)c2cc(F)cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CC1,OCXMDRYKZKQWSS-UHFFFAOYSA-N
-rxn:4:203878:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc([N+](=O)[O-])cc1CN1CCC(C)CC1,IENQTMXKFAJVID-UHFFFAOYSA-N
-rxn:4:203878:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3CN3CCC(C)CC3)cc2)CC1,JYKCFUWDLJUVEU-RQNOJGIXSA-N
-rxn:4:203930:222742,COc1cc(N2CCCCC2C)c(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1[N+](=O)[O-],BNPNFLCTAOLVNR-UHFFFAOYSA-N
-rxn:4:203952:222651,CC(=O)N1CCCC(Cc2cncc(-c3cc(C(=O)NC4CCCCC4)ccc3F)c2)CC1,NRAWAUGPEUGMOY-UHFFFAOYSA-N
-rxn:4:203953:224713,CCCCOc1ccc(-c2ccccc2N2CCN(C(=O)C(C)C)CC2)c(C(F)(F)F)c1,ATGYKCXICUXTEW-UHFFFAOYSA-N
-rxn:4:203969:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(C(C)C)CC4)c3F)cc2)CC1,HLWQBUMSLDAPKN-UHFFFAOYSA-N
-rxn:4:203972:222958,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(C4CCNCC4)c3)c(C)c2)CC1,LAVBSSDPCXAARC-UHFFFAOYSA-N
-rxn:4:203976:222862,CCCCNC(=O)c1ccc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1F,KBJPIMGGWDTWLU-UHFFFAOYSA-N
-rxn:4:203987:223114,CCCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,JZWZOEDHQBAZFA-UHFFFAOYSA-N
-rxn:4:204010:224352,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)n2)CC1,BZFYCRGJNHDNAX-UHFFFAOYSA-N
-rxn:4:204011:225336,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(COCC(F)(F)F)cc3F)cc2)CC1,RGZBBVWBMHJZTC-UHFFFAOYSA-N
-rxn:4:204055:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)c1,LCLUGABSUYJXPR-UHFFFAOYSA-N
-rxn:4:204093:224582,CC(C)N1CCCC(Cc2cncc(-c3cccc(N4CCN(C5CC5)CC4)c3)c2)CC1,KQUZPPIEIVCJLZ-UHFFFAOYSA-N
-rxn:4:204108:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(c5ccccc5)S(=O)(=O)CC4)c3)cc2)CC1,IXXULZKKXLBVRY-UHFFFAOYSA-N
-rxn:4:204114:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1,MJBPBQHPXQVTAM-UHFFFAOYSA-N
-rxn:4:204137:226510,CC(C)COc1nccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)c1Cl,OBRAXCXLDRKUFK-UHFFFAOYSA-N
-rxn:4:204153:224686,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4F)c(C)c3)CC2)cc1,KLHUCCHMKNIXNB-UHFFFAOYSA-N
-rxn:4:204157:222439,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,FBPDVRDGBIMHMZ-UHFFFAOYSA-N
-rxn:4:204162:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccccc5)C4=S)cc3)c2)CC1,INKVPLWHGCOKKT-UHFFFAOYSA-N
-rxn:4:204164:226844,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCC2,ZSJQORPYXBVPEK-UHFFFAOYSA-N
-rxn:4:204166:226844,CC1CCCCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,KPHJSYNYMOYHSX-UHFFFAOYSA-N
-rxn:4:204175:226844,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,KUFAJPDIASPSMK-UHFFFAOYSA-N
-rxn:4:204179:222923,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C)c(S(=O)(=O)NC5CC5)c4)cc3C)CC2)cc1C,RIZYJJQTUYIRJD-UHFFFAOYSA-N
-rxn:4:204404:223991,CCOC(=O)c1nc2n(c1-c1c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c1F)CCCC2,QVMBSCAJVONYMS-UHFFFAOYSA-N
-rxn:4:204645:223753,Cc1ccc(-c2ccc(OC(=O)N3CCN4CCC3CC4)cc2)cc1OCCCN1CCN(C)CC1,MNNCRKWKTGYKKO-UHFFFAOYSA-N
-rxn:4:204682:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc(C)cc4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,KUTATXFOZFFESO-UHFFFAOYSA-N
-rxn:4:204683:224609,CC(C)N(C(=O)c1ccncc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,QXMMHWZFAWUZNW-UHFFFAOYSA-N
-rxn:4:204693:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)c3)ccc2F)CC1,VPDLGWSCKTTYQY-UHFFFAOYSA-N
-rxn:4:204697:226341,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cc(C(C)C)c(F)cc2OC)cc1,NVUPDTDDDVQIFA-UHFFFAOYSA-N
-rxn:4:204700:224992,O=C1CCN(Cc2ccccc2-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)CC1,BTDAXYHWCXWRBW-UHFFFAOYSA-N
-rxn:4:204738:226844,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ZXVGTCBUISHFJB-UHFFFAOYSA-N
-rxn:4:204753:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)cc1,FDTJEJPUTNAGFG-UHFFFAOYSA-N
-rxn:4:204775:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,OVJQLPHKXHDUGB-UHFFFAOYSA-N
-rxn:4:204796:226366,O=C(C1=CN(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,DSWHQWMCLCIILE-UHFFFAOYSA-N
-rxn:4:204797:226364,O=C(C1=CN(c2cccc(-c3ccc(N4CCCCC4)nc3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,NSRFRFPHKSKWBJ-UHFFFAOYSA-N
-rxn:4:204797:226366,O=C(C1=CN(c2cccc(-c3ccnc(N4CCCCC4)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,OTVONNXXOFFSFC-UHFFFAOYSA-N
-rxn:4:204798:226366,O=C(C1=CN(c2cccc(-c3ccnc(N4CCCCC4)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,QHOLCBJFELFVSS-UHFFFAOYSA-N
-rxn:4:204799:226364,O=C(C1=CN(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,GYRYADPAPMUBQI-UHFFFAOYSA-N
-rxn:4:204799:226366,O=C(C1=CN(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,OLVSMGKKTIESHB-UHFFFAOYSA-N
-rxn:4:204829:226364,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(N2CCCCC2)nc1,CGJMUEVTOBDTOT-UHFFFAOYSA-N
-rxn:4:204829:226366,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(N2CCCCC2)c1,PSUGNVVGGDHJRB-UHFFFAOYSA-N
-rxn:4:204829:226395,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cncc(N2CCCCC2)c1,XWVCRQSNKPLBLZ-UHFFFAOYSA-N
-rxn:4:204830:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)c2)cc1OCCCN1CCN(C)CC1,YRCSPTUGEYLFJI-UHFFFAOYSA-N
-rxn:4:204830:226371,Cc1cc(N2CCCC2)ncc1-c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1,LFNUEJUXUGKNGR-UHFFFAOYSA-N
-rxn:4:204831:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1,YBVIDUBNAUXFJC-UHFFFAOYSA-N
-rxn:4:204834:226366,O=C(C1=CN(c2cccc(-c3ccnc(N4CCCCC4)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,UFENNXBDIREUFX-UHFFFAOYSA-N
-rxn:4:204835:226364,O=C(C1=CN(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,RBBRAVMJPGYSLA-UHFFFAOYSA-N
-rxn:4:204835:226366,O=C(C1=CN(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,OOOXOCHXFOQJGE-UHFFFAOYSA-N
-rxn:4:204836:226364,O=C(C1=CN(c2cccc(-c3ccc(N4CCCCC4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,XAUGXDYNMOSTTA-UHFFFAOYSA-N
-rxn:4:204836:226366,O=C(C1=CN(c2cccc(-c3ccnc(N4CCCCC4)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,OBTPDTWQXKDDBB-UHFFFAOYSA-N
-rxn:4:204836:226395,O=C(C1=CN(c2cccc(-c3cncc(N4CCCCC4)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,RAQCLMDBCLVPIQ-UHFFFAOYSA-N
-rxn:4:204840:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C(=O)CSC45C(=O)N(Cc4ccc(F)cc4)c4ccccc45)cc3)c2)CC1,MJPRFTSAGBSNHL-UHFFFAOYSA-N
-rxn:4:204850:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4C(=O)N(c5cc(C)cc(C)c5)S(=O)(=O)c5ccccc54)cc3)c2)CC1,UVSGMFHWWJGWOO-UHFFFAOYSA-N
-rxn:4:204850:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cc(C)cc(C)c5)S(=O)(=O)c5ccccc54)cc3)c(F)c2)CC1,ALYDMKVZWBSUQJ-UHFFFAOYSA-N
-rxn:4:204852:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4C(=O)N(c5cccc(C)c5C)S(=O)(=O)c5ccccc54)cc3)c2)CC1,VAXQHIJJECDNKB-UHFFFAOYSA-N
-rxn:4:204860:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)cc1,PEFYIQOZWPJINN-UHFFFAOYSA-N
-rxn:4:204864:226364,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(N2CCCCC2)nc1,CBRZZDFFLKKQHT-UHFFFAOYSA-N
-rxn:4:204864:226366,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(N2CCCCC2)c1,LJEKBERBVGARLY-UHFFFAOYSA-N
-rxn:4:204864:226371,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(N2CCCC2)cc1C,SSPQYGZNEUYTPF-UHFFFAOYSA-N
-rxn:4:204864:226395,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cncc(N2CCCCC2)c1,BKGJFOKNRPCCAT-UHFFFAOYSA-N
-rxn:4:204864:226414,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(C2=NCCCO2)cc1,MFUZJHGACSJMLX-UHFFFAOYSA-N
-rxn:4:204866:223093,CC1CCN(C(=O)C2=CN(c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)c3ccccc3S2(=O)=O)CC1,LLAUDKYAYDFIHI-UHFFFAOYSA-N
-rxn:4:204874:223127,O=C1C2C(c3ccc(-c4ccc(CNC5CC5)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,QJFLNGIKHUPONY-UHFFFAOYSA-N
-rxn:4:204875:225723,CN(C)CCOc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)cc1Cl,IXDZJXUFHCKSQA-UHFFFAOYSA-N
-rxn:4:204876:225177,Cc1cc(C)c(N2CCN(C(=O)c3cc4cc(-c5ccc(CN6CCSCC6)c(F)c5)ccc4oc3=O)CC2)c(C)c1,ONJIIDTVDGQWOZ-UHFFFAOYSA-N
-rxn:4:204877:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3C)c2)CC1,GTZALIRPMFVWLN-UHFFFAOYSA-N
-rxn:4:204877:226364,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(N2CCCCC2)nc1,RAKXHMWCNYSDCQ-UHFFFAOYSA-N
-rxn:4:204877:226366,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(N2CCCCC2)c1,WQKQGMWJWSCVTR-UHFFFAOYSA-N
-rxn:4:204877:226395,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cncc(N2CCCCC2)c1,QBMSRWOYIWQTMW-UHFFFAOYSA-N
-rxn:4:204877:226417,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(Cl)cc(N2CCCC2)c1,AJJCWOWUEZLSBS-UHFFFAOYSA-N
-rxn:4:204894:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)c1,ZCGDOSHTKHLJCY-UHFFFAOYSA-N
-rxn:4:204944:224022,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3C3CC(c4ccco4)=NN32)cc1,ROXILOGQLYPKGV-UHFFFAOYSA-N
-rxn:4:204948:224612,CC12CC(c3ccccc3O1)N(C(=O)c1ccc(-c3ccc(OCCN4CCOCC4)cc3)cc1)C(=O)N2c1ccc(Cl)cc1,SQYROAVGCAYJLX-UHFFFAOYSA-N
-rxn:4:204955:222890,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)nc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,DJKHDYNXENEXSW-UHFFFAOYSA-N
-rxn:4:204990:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(F)c(C#N)c(F)c(F)c3C#N)cc2)CC1,ZHOSJXMPRYPGGJ-UHFFFAOYSA-N
-rxn:4:205897:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C(=O)N4CCOCC4)cs3)ccn2)CC1,YWHDOOABJYBVJT-UHFFFAOYSA-N
-rxn:4:206301:223505,Cn1cc(C(F)(F)F)nc1-c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,VALSMLNUOMUPAC-UHFFFAOYSA-N
-rxn:4:206690:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(F)c2)CC1,DLGNBVKVKUMMMU-UHFFFAOYSA-N
-rxn:4:206840:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCN(C)CC3)cc2)CC1,ACIMEPMHKRSVDK-UHFFFAOYSA-N
-rxn:4:206841:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(C)CC3)c2)CC1,ZREZLPJFSZNSFQ-UHFFFAOYSA-N
-rxn:4:206843:223841,Cc1cc(F)c(-c2cncc(C(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,YHWNBUDBOZTWSC-UHFFFAOYSA-N
-rxn:4:206843:223842,CC1CCN(C(=O)c2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c2)CC1,RYCYGDMQWNOXIU-UHFFFAOYSA-N
-rxn:4:206844:223841,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)CC1,OEYOMKUQEPDKSW-UHFFFAOYSA-N
-rxn:4:206845:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cnc1C(=O)N1CCCCC1,FKCQLFPHOBFWDU-UHFFFAOYSA-N
-rxn:4:206847:223841,CC(=O)N1CCC(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,HHEYMICMTDVABW-UHFFFAOYSA-N
-rxn:4:206848:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCCCCC3)c2C#N)CC1,XYLNXWLUSIRDNE-UHFFFAOYSA-N
-rxn:4:206850:223842,Cc1cc(C(=O)N2CCCCC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,TVQMFWACOMMZIR-UHFFFAOYSA-N
-rxn:4:206853:223841,Cc1cc(F)c(-c2ccc(N3CCC(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZMSVAKLKNNOIED-UHFFFAOYSA-N
-rxn:4:206853:223842,CC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2C#N)CC1,DJPOXAYAEFCOMV-UHFFFAOYSA-N
-rxn:4:206908:223839,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,PQRTZTPQWXSSMK-UHFFFAOYSA-N
-rxn:4:206908:223841,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)CC1,MGYHMTVHOPIITR-UHFFFAOYSA-N
-rxn:4:206908:223842,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2)CC1,GUNYHHFEWVRWEB-UHFFFAOYSA-N
-rxn:4:206910:223841,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c2)CC1,VGKTYBXHQVCTOP-UHFFFAOYSA-N
-rxn:4:206910:223842,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c2)CC1,SXOZTQJZLWRSHX-UHFFFAOYSA-N
-rxn:4:206911:223810,CCC1CCN(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cn2)CC1,YYBHLMXMUXTKAP-UHFFFAOYSA-N
-rxn:4:206911:223842,CCC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,OBCUPHCPYZOJRP-UHFFFAOYSA-N
-rxn:4:206913:223841,CCC1CCCCN1c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cn1,LDSYIDLUKHSIFS-UHFFFAOYSA-N
-rxn:4:206915:223841,Cc1cc(F)c(-c2cccnc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,ZEJVHTDTXYTWAT-UHFFFAOYSA-N
-rxn:4:206920:223835,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c(Cl)c2)CC1,DJZRGPLUSQAYKC-UHFFFAOYSA-N
-rxn:4:206920:223841,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c(Cl)c2)CC1,PIVYNQRDTDWRCH-UHFFFAOYSA-N
-rxn:4:206926:223839,CCN1CCN(c2cc(Cl)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)c2)CC1,NBKDHESVANVBST-UHFFFAOYSA-N
-rxn:4:206935:223839,CCN1CCN(c2cc(F)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)c2)CC1,VKLSGZFIWOKLGB-UHFFFAOYSA-N
-rxn:4:206936:222588,Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,HLOHPMNTRBNIPZ-UHFFFAOYSA-N
-rxn:4:206944:224317,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)nc2)CC1,ITRHPVSOHVRJAF-UHFFFAOYSA-N
-rxn:4:206944:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)nc2)CC1,JXPXPMNABAXACL-UHFFFAOYSA-N
-rxn:4:206944:224349,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)nc2)CC1,CHDMIODRXZKGEQ-UHFFFAOYSA-N
-rxn:4:206948:224316,CC1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)n2)CC1,LULGEJIHOHUEHU-UHFFFAOYSA-N
-rxn:4:206948:224317,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)n2)CC1,HEHXLXYZOYWBTQ-UHFFFAOYSA-N
-rxn:4:206948:224318,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)n2)CC1,KQKMRQGRQKODSM-UHFFFAOYSA-N
-rxn:4:206948:224349,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)n2)CC1,OUADMTCXJFNUAB-UHFFFAOYSA-N
-rxn:4:206957:224317,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)c2)CC1,PWGZGXJPBIYNFC-UHFFFAOYSA-N
-rxn:4:206957:224318,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,NWJILVARYNBIRJ-UHFFFAOYSA-N
-rxn:4:206957:224349,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,OLVGNBDNOZLHIB-UHFFFAOYSA-N
-rxn:4:206958:224316,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cn2)CC1,PUXNJKURHHSMJB-UHFFFAOYSA-N
-rxn:4:206958:224317,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)cn2)CC1,WPDIOJMDUYCTIK-UHFFFAOYSA-N
-rxn:4:206958:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,PLSUBDRREZSNRE-UHFFFAOYSA-N
-rxn:4:206958:224349,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,GOKKEJKANWTUCU-UHFFFAOYSA-N
-rxn:4:206960:224317,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)c(F)c2)CC1,WHWSTSXEKLOLDF-UHFFFAOYSA-N
-rxn:4:206960:224378,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,SNAPUJIKSFTTCO-UHFFFAOYSA-N
-rxn:4:206961:224317,CC1CCCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)c2)C1,CDOOIYWZVDXPAV-UHFFFAOYSA-N
-rxn:4:206961:224318,CC1CCCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)c2)C1,ZXCCVIXWJIMFGH-UHFFFAOYSA-N
-rxn:4:206961:224349,CC1CCCN(S(=O)(=O)c2cncc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)C1,BYCBSCDXSZEABZ-UHFFFAOYSA-N
-rxn:4:206963:224317,CN1CCN(C(=O)c2ccc(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)c(F)c2)CC1,PSQHLTUMIFUNHN-UHFFFAOYSA-N
-rxn:4:206964:224317,CN1CCN(C(=O)c2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)c(F)c2)CC1,PPTMVVZUSXTKFK-UHFFFAOYSA-N
-rxn:4:206964:224349,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,FTKIEHDFSWSCRC-UHFFFAOYSA-N
-rxn:4:206964:224378,CS(=O)(=O)N1CCC(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,JLDFWRMHVCLHFL-UHFFFAOYSA-N
-rxn:4:206966:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCC3(CC2)CC3)c(C#N)c1,CKRDGHDBMKZPPI-UHFFFAOYSA-N
-rxn:4:206967:224498,CCN1CCN(Cc2ccccc2-c2cc(F)c([N+](=O)[O-])c(N3CCC(C)CC3)c2)CC1,FYIPMYMRKKUVPA-UHFFFAOYSA-N
-rxn:4:206981:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,VFNNVWXQEVKPQS-UHFFFAOYSA-N
-rxn:4:207002:223835,COc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc(N2CCN(C)CC2)c1,ZKZRPLLGXZTWOS-UHFFFAOYSA-N
-rxn:4:207007:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)cc3)c(F)cc2C)CC1,JBRKBRRFZRFCGU-UHFFFAOYSA-N
-rxn:4:207014:223835,Cc1cc(C(=O)N2CCN(C)CC2)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,SNQVGXBLKVCOCD-UHFFFAOYSA-N
-rxn:4:207035:223841,Cc1cc(F)c(-c2cc(C3CCCCC3)nc(C(C)C)n2)cc1S(=O)(=O)N1CCN(C)CC1,MENWDVQCGPMXKR-UHFFFAOYSA-N
-rxn:4:207082:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2ccc(N3C(=O)CC(N4CCCCC4)C3=O)cc2)c1,BBKSDITWRPMPRD-UHFFFAOYSA-N
-rxn:4:207090:223753,Cc1ccc(-c2ccc(N3C(=O)CC(N4CCC(C)CC4)C3=O)cc2)cc1OCCCN1CCN(C)CC1,BPJYZNJFKMQQRN-UHFFFAOYSA-N
-rxn:4:207462:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CSCCC1O2,SPKXDPMVSFMQLJ-UHFFFAOYSA-N
-rxn:4:207619:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C#N)S(=O)(=O)c5cc(F)ccc54)cc3)cc2)CC1,COBUABLEVYAGIO-UHFFFAOYSA-N
-rxn:4:207779:224396,Cc1cc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)ccc1S(=O)(=O)N1CCOCC1,SQBPTTOJWAGTRF-UHFFFAOYSA-N
-rxn:4:207788:224129,CN(C(=O)c1cccc(-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)c1)C1CCCCC1,WCJBVCOOUMINEX-CEBUJLNPSA-N
-rxn:4:207815:223895,CCN1CCN(CCOc2ccc(-c3c(C(F)(F)F)c(C)cc4c3c(C)nn4C3CCCCO3)cc2)CC1,CYBIBBZVDLFRLW-UHFFFAOYSA-N
-rxn:4:207827:225363,O=C(c1ccc(-c2ccc(N3C(=O)N(c4cccc(Cl)c4)C4CS(=O)(=O)CC43)cc2)cn1)N1CC(F)(F)C1,WPGYDQUNBXOXEL-UHFFFAOYSA-N
-rxn:4:207831:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2nc3sccn3c2C=C2C(=O)OC(C)(C)OC2=O)cc1,LZTSXZLLFXPHRG-UHFFFAOYSA-N
-rxn:4:207848:223569,Cc1cccc(N2C(=O)N(c3cccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3)C3CS(=O)(=O)CC32)c1,IVBVQHDTERHKHU-UHFFFAOYSA-N
-rxn:4:207856:225611,COc1cc(N2CCCC2)ccc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,DLICQWBMZLQLKH-UHFFFAOYSA-N
-rxn:4:207956:222522,COc1ccc(-c2cccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3c3cccc(C)n3)c2)cc1S(=O)(=O)N1CCC(O)CC1,BKKBBWIBFIGZTC-UHFFFAOYSA-N
-rxn:4:207968:224323,Cc1cc(-c2ccc(C(=O)N3CCc4c5n(c6ccccc46)C(=O)CCC53)cc2)cc(C)c1S(=O)(=O)N1CCCC1,ZABZYZXOOUORHA-UHFFFAOYSA-N
-rxn:4:208246:223539,COc1ccc(-c2cc([N+](=O)[O-])c(F)c[n+]2[O-])cc1S(=O)(=O)N1CCC2(CC1)OCCO2,DTMYWFJMQWCKJC-UHFFFAOYSA-N
-rxn:4:208714:223490,Cc1ccc(-c2nnc(C3CCOC3)s2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IDMNZKYOCDFHCN-UHFFFAOYSA-N
-rxn:4:209896:224612,c1cc(-c2cnn(C3CCOC4(CCOCC4)C3)c2)ccc1OCCN1CCOCC1,LIPGYGUGGUUHKE-UHFFFAOYSA-N
-rxn:4:210113:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3c(F)ccc4[nH]c(C(F)(F)F)nc34)ccc2F)CC1,FFCORDGZFYJQFV-UHFFFAOYSA-N
-rxn:4:210691:222465,Cn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12CCCSC1O2,CLZVFNXOUFYKBP-UHFFFAOYSA-N
-rxn:4:210943:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc4c(cnn4C4CCCCO4)cc3F)c2)CC1,NIRUPVYNCFHTIZ-UHFFFAOYSA-N
-rxn:4:211061:224585,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=C3SC(=S)N(C5CCS(=O)(=O)C5)C3=O)C(=O)N4C)cc2)CC1,DBKGTEJISDSOPP-UHFFFAOYSA-N
-rxn:4:211061:226682,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cnc(-n4cccc4)c(Cl)c3)ccc21,UTXBMCDOWQMTMW-UHFFFAOYSA-N
-rxn:4:211064:223492,Cc1cc(-c2ccc3nc4cc(F)ccc4c(C#N)c3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PDUCWRJVWSECPP-UHFFFAOYSA-N
-rxn:4:211101:223169,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCNCC5)nc4)ccc2OC32CCC(C)CC2)cc1,HPZXIQMWAOQVLU-UHFFFAOYSA-N
-rxn:4:211101:225952,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCOCC5)nc4C)ccc2OC32CCC(C)CC2)cc1,DPZYLNZTJQARBB-UHFFFAOYSA-N
-rxn:4:211101:226444,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCO5)nc4C)ccc2OC32CCC(C)CC2)cc1,YXEDSJSYKNQCNE-UHFFFAOYSA-N
-rxn:4:212526:223919,CN(C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)cc1Cl)C1CCCCC1,VVMWIUPQNPGJJJ-UHFFFAOYSA-N
-rxn:4:212526:224248,CC1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(C#N)CC3)cc2Cl)CC1,YQDMYUNRYCPDCG-UHFFFAOYSA-N
-rxn:4:212542:224868,CCOCC(=O)N1CCCC(Oc2ncc(-c3cccc(OCC4CCCCC4)c3)cn2)C1,UDGDCNUJNXPGMK-UHFFFAOYSA-N
-rxn:4:212567:222751,Cc1ccc(-c2cnc(OC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nc2)cc1NC(=O)OC(C)(C)C,OEBJLRLSONZBPV-UHFFFAOYSA-N
-rxn:4:212592:222976,Cc1cc(-c2cccc(CCCC3(C(=O)N(C)C)CCN3C)n2)ccc1C(=O)NC1CC1,IPALNOCDMBNQDW-UHFFFAOYSA-N
-rxn:4:212602:224573,CC1CCCCN1c1ccc(-c2cnc(OC3CCN(C(=O)COc4ccccc4)CC3)nc2)c(C#N)c1,ACBVPVIPVTVLJV-UHFFFAOYSA-N
-rxn:4:212622:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(OCC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1,FGQYKOJJDLQJSO-UHFFFAOYSA-N
-rxn:4:212634:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,UEKGVAQFLAGKRY-UHFFFAOYSA-N
-rxn:4:212639:223262,CNC(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,HYDBPYVALKTSJR-UHFFFAOYSA-N
-rxn:4:212639:224361,CCN(CC)S(=O)(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC,WEYVPNTUYPCFNJ-UHFFFAOYSA-N
-rxn:4:212649:222975,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CC4)cc3C)cn2)C1,OSSLVTLCYRXXIN-UHFFFAOYSA-N
-rxn:4:212650:226844,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LYOHZARZAURDJD-UHFFFAOYSA-N
-rxn:4:212656:223530,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,LDNBEDVZJNFGAS-UHFFFAOYSA-N
-rxn:4:212680:225877,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(Cl)cc3N3CCOCC3)CC2)nn1,CXNQCJGYGCFCBI-UHFFFAOYSA-N
-rxn:4:212718:224612,COc1cccc(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2C(=O)c2ccncc2)c1OC,GWTXBAKLTFVGRZ-UHFFFAOYSA-N
-rxn:4:212725:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)cc3)cc2)CC1,QAIGTXSGNUYSOB-UHFFFAOYSA-N
-rxn:4:212729:224328,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCCC6C)c5)cc4)C3)n2)cc1OC,MLJJCYUZSDEONI-UHFFFAOYSA-N
-rxn:4:212732:224612,O=C(c1ccc(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)nc1)N1CCN(Cc2ccccc2)CC1,PSKSMQPREJUDON-UHFFFAOYSA-N
-rxn:4:212736:224244,CC1CCN(C(=O)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)ccc2Cl)CC1,ZVADEOTYAGDHHV-UHFFFAOYSA-N
-rxn:4:212741:223561,CC1CN(Cc2ccc(-c3ccc(N(C(=O)OC(C)(C)C)c4ccccc4)cc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,BSGKRNWNXKQCSI-UHFFFAOYSA-N
-rxn:4:212743:223279,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,MZYRTGRRQGHKBL-UHFFFAOYSA-N
-rxn:4:212746:224021,CC1CN(Cc2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,MTFGGPLFZOSEPT-UHFFFAOYSA-N
-rxn:4:212750:226803,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnn(-c3ccnc(Cl)c3)c2)cc1N1CCCCC1,XCHYOGVMUFEGFN-UHFFFAOYSA-N
-rxn:4:212785:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CCOC)cc3)ccc2F)CC1,CULLMEHALVOLNQ-UHFFFAOYSA-N
-rxn:4:212814:228918,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnccc2C(F)F)C1(C)C,MLLJZKVQDBVKHD-UHFFFAOYSA-N
-rxn:4:212816:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)c1,BYLRWWKSRVYOGH-UHFFFAOYSA-N
-rxn:4:212824:225977,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4s3)CC2)cc(OC)c1OC,KBAJOXOYPUCTAH-UHFFFAOYSA-N
-rxn:4:212927:222628,N#Cc1nc(COc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)oc1N1CCOCC1,UZUIRDBQXGVFFR-UHFFFAOYSA-N
-rxn:4:212938:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)CC)C4)nc3)c(F)c2)CC1,XOEUWKQDKMOWLQ-GLQXSRQHSA-N
-rxn:4:212939:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1,ULTSMHMDWVATOK-UHFFFAOYSA-N
-rxn:4:212972:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCCC5)nn4)cc3)cc2)CC1,LDRZFFDXKRSVPT-UHFFFAOYSA-N
-rxn:4:212988:223595,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2)CC1,ZXKHHDIYAZEIAB-UHFFFAOYSA-N
-rxn:4:212988:224356,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,ZCWQLNMFNNZNKT-UHFFFAOYSA-N
-rxn:4:212989:223955,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(SCc4ccccc4[N+](=O)[O-])cc3)s2)CC1,CUPIJYXRTIZRNK-UHFFFAOYSA-N
-rxn:4:212989:225878,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(Cl)cc(N4CCOCC4)c3)s2)CC1,WJOVLQKPRQGYGF-UHFFFAOYSA-N
-rxn:4:212989:227804,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])s2)CC1,YNRARNQHIANKAW-UHFFFAOYSA-N
-rxn:4:212990:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)Cc5cccc(C)c5)C4)c3)cc2)CC1,SUICKAZMXDKRJD-UHFFFAOYSA-N
-rxn:4:213001:224797,CCCCOc1c(F)c(F)c(-c2ccccc2CCC(=O)N2CCN(c3nccs3)C(=O)C2)c(F)c1F,BDIJLMWTIMDQJX-UHFFFAOYSA-N
-rxn:4:213010:224179,CN1CCN(CCOc2ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,QTWNRXXOTOGFCR-DEOSSOPVSA-N
-rxn:4:213011:223671,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,FXPXTHQWKUNJMF-UHFFFAOYSA-N
-rxn:4:213031:222748,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1,DBFWHBPPVZNDLV-UHFFFAOYSA-N
-rxn:4:213039:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1,VJHJFOBHGHFIOT-UHFFFAOYSA-N
-rxn:4:213053:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)c(F)c2)CC1,HGWOSVUPQSINRN-GLQXSRQHSA-N
-rxn:4:213053:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)cn2)CC1,WBOGBIBGTZDJID-UHFFFAOYSA-N
-rxn:4:213055:222658,COc1ccc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)c(C(=O)N(C)C2CN(c3ccccn3)C2)c1,NFNQDBMOEIVCBV-UHFFFAOYSA-N
-rxn:4:213062:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)nc1,YXOBRCMPOAJPMS-UHFFFAOYSA-N
-rxn:4:213064:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1,PCEGJOINSZEJPG-UHFFFAOYSA-N
-rxn:4:213078:227888,CCCSc1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,QHPPVGXPVUCRLA-UHFFFAOYSA-N
-rxn:4:213093:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C#N)c2)CC1,VIQZPNDFWBYHOO-UHFFFAOYSA-N
-rxn:4:213099:223888,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2C(F)(F)F)CC1,HDKJKTADGRZBFL-UHFFFAOYSA-N
-rxn:4:213106:223540,COc1ccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,PWQCDEARIMEZOC-UHFFFAOYSA-N
-rxn:4:213109:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)cc1,WNTFEVDYVAOBOJ-OAQYLSRUSA-N
-rxn:4:213126:224378,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)nc2)CC1,BPIRYXVQJZSAFY-UHFFFAOYSA-N
-rxn:4:213132:222546,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,QQCWSEGIHBQSMJ-UHFFFAOYSA-N
-rxn:4:213150:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,IVGIOWRKVTWHQA-UHFFFAOYSA-N
-rxn:4:213162:224182,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)c(C)c4)cn3)CC2)cc1F,MRYJPOLJFHSOHH-UHFFFAOYSA-N
-rxn:4:213193:223506,Cn1nccc1C1CCCCN1C(=O)CCc1ccccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FETXBQXSJNKFMG-UHFFFAOYSA-N
-rxn:4:213197:223971,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cc(N5CCC(C)CC5)cc(C(F)(F)F)c4)cc3)C2=O)CC1,FJKUBGDSLQGJAO-UHFFFAOYSA-N
-rxn:4:213224:222892,COc1cc(N2CCNCC2)ccc1-c1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1,IOEIKLFCXBAZMD-VWLOTQADSA-N
-rxn:4:213236:222997,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(Cl)cc4C4CCCNC4)cn3)C2)cc1C,AUMSYXMPTKSNIA-UHFFFAOYSA-N
-rxn:4:213259:224861,CC(C)Oc1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)ccc2c1,XGSYRZIWGXSAPZ-UHFFFAOYSA-N
-rxn:4:213278:223505,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)C3)n2)c1,FNGDBQLIVFFCLN-UHFFFAOYSA-N
-rxn:4:213279:224612,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,JBEZRQBKCABXPO-UHFFFAOYSA-N
-rxn:4:213281:227154,Cc1c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2nn1C,KFXCBGVIIAVQNX-UHFFFAOYSA-N
-rxn:4:213286:222521,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)cc2)SC1=S,MIOIEOFMKUQJDG-UHFFFAOYSA-N
-rxn:4:213289:224552,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(F)cc(COC3CCCCC3)c2)CC1,HHLMATLOAQNTQE-UHFFFAOYSA-N
-rxn:4:213289:228010,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(Cl)ccc2C2CC2)CC1,JEZRQHVOMOEBRM-UHFFFAOYSA-N
-rxn:4:213290:226231,CCCCOc1ncc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)cc1C,JOORSIWAFYWMEJ-UHFFFAOYSA-N
-rxn:4:213323:223755,C#CCn1c(=NC(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,CSGUDOPUJSNCDZ-UHFFFAOYSA-N
-rxn:4:213326:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)OC(C)C)cc5n4)cc3)cc2)CC1,LSMPDCYXRJNQTF-UHFFFAOYSA-N
-rxn:4:213336:226844,COC(=O)c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,CDPFHIYDAFDTDD-UHFFFAOYSA-N
-rxn:4:213347:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CSc4nc5c(c(=O)n4-c4ccc([N+](=O)[O-])cc4)SCC5)cc3)c(F)cc2C)CC1,PSBMXVISOVFWRO-UHFFFAOYSA-N
-rxn:4:213354:226844,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,MPXMTZBPOZTKQW-UHFFFAOYSA-N
-rxn:4:213381:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)Oc4ccc5nc(N6CCN(CC)CC6)sc5c4)cc3)cc2)CC1,WRDHEDKDCXLJQP-UHFFFAOYSA-N
-rxn:4:213421:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)cc2)CC1,FGURHVQSLSCALH-UHFFFAOYSA-N
-rxn:4:213427:223753,Cc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)cc1OCCCN1CCN(C)CC1,RZFBAKODYMDRSQ-UHFFFAOYSA-N
-rxn:4:213428:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)c1,JIALWEVRAMFNGR-YBJSGSKQSA-N
-rxn:4:213428:222946,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCCCC5O)nc4Cl)ccc3c2)[nH]1,RHLJNTQNNQOPSA-PMCHYTPCSA-N
-rxn:4:213458:223093,COc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,PHSIGRGRVVYUMK-IDZRBWSNSA-N
-rxn:4:213480:225227,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DLAPMEOKPMPCIO-PCBPTNJRSA-N
-rxn:4:213703:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C#N)c(Oc4cnn(C5CCCCO5)c4)c3)c(F)cc2C)CC1,UWNJNDWPEPFIEN-UHFFFAOYSA-N
-rxn:4:213703:223895,CCN1CCN(CCOc2ccc(-c3ccc(C#N)c(Oc4cnn(C5CCCCO5)c4)c3)cc2)CC1,LXSPGFQJFYBBGP-UHFFFAOYSA-N
-rxn:4:213711:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ccco6)no5)C4)c3)ccc2OC)CC1,XEYVQYAOFVNILB-UHFFFAOYSA-N
-rxn:4:213715:223686,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c3)cn2)C1,SLUCENQVKOMERH-UHFFFAOYSA-N
-rxn:4:213719:224022,COC1CCN(C(=O)C(C)n2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)CC1,QDUFNKCVMOIRGJ-UHFFFAOYSA-N
-rxn:4:213744:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3OC3CCN(c4ccnc(C(F)(F)F)c4)C3)c2)CC1,PHJFCYLGYWPBEE-UHFFFAOYSA-N
-rxn:4:213752:223827,CCCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)nc2)CC1,KCSLUYGGDMWEMY-UHFFFAOYSA-N
-rxn:4:213765:225898,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,GQOUCVVZORNZOS-UHFFFAOYSA-N
-rxn:4:213800:224759,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ncn1,ACZGJJGGOOTELW-UHFFFAOYSA-N
-rxn:4:213836:222546,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)C1,QEDWBUJCFQJFIY-UHFFFAOYSA-N
-rxn:4:213874:225984,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ccn2)CC1,QULONVXBKJEIBW-UHFFFAOYSA-N
-rxn:4:213880:223062,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(C3CCNCC3)cc2F)CC1,PZJSFWDNNVTMBB-UHFFFAOYSA-N
-rxn:4:213884:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,QHZCWUSXLIZKKP-UHFFFAOYSA-N
-rxn:4:213895:222584,CC(C)(C)OC(=O)N1CCCCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,ZCWSTNYRWYSDTD-UHFFFAOYSA-N
-rxn:4:213901:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,UILLGEDHUMNEIR-UHFFFAOYSA-N
-rxn:4:213910:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,RIOAOLYBLADKDB-UHFFFAOYSA-N
-rxn:4:213930:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1F,RAEKWCFXULBBKP-UHFFFAOYSA-N
-rxn:4:213931:224232,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(Cl)c(OCc3ccccc3)cc2F)CCO1)N1CCCC1,JMSNENHKCHNRTE-UHFFFAOYSA-N
-rxn:4:213932:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1Cl,CDXSWUHAOTVNCI-UHFFFAOYSA-N
-rxn:4:213933:227469,COCC(C)(C)n1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cn1,RGFJUGMKDKBPEI-UHFFFAOYSA-N
-rxn:4:213942:223591,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,YGUMIZKAKMTMGZ-UHFFFAOYSA-N
-rxn:4:213969:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)o3)cc2)CC1,MDLCPUZOABGSAC-UHFFFAOYSA-N
-rxn:4:213974:225709,CN(C)CCCOc1ccc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cn1,ANFNTGZJMKKKCL-UHFFFAOYSA-N
-rxn:4:213985:226844,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,TXULPYDFGOBYSE-UHFFFAOYSA-N
-rxn:4:214012:222621,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCCNC2)n1,QYYTXLLTVZJIDA-UHFFFAOYSA-N
-rxn:4:214022:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1C,HXVGWJNTSNHEBM-UHFFFAOYSA-N
-rxn:4:214027:224387,Cc1cn(-c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(C(F)(F)F)c2)cn1,AQXLAJSKDIGGDL-UHFFFAOYSA-N
-rxn:4:214033:224022,CC(C)[C@H]1COC(c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,QYBTYVSVMJZRHF-LNISFTJUSA-N
-rxn:4:214036:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(N(C)C)cc5)C4)cc3)c2)CC1,LNIMVUSBBRIRKT-UHFFFAOYSA-N
-rxn:4:214054:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,HWFGVRFPENLJJY-UHFFFAOYSA-N
-rxn:4:214056:223279,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cnc(C5CCCN5)nc4)o3)S2)CC1,FAOPWDQKIWBQBJ-UHFFFAOYSA-N
-rxn:4:214081:225757,COC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cc(C(C)C)n1,AEDDEXLMNLREOM-UHFFFAOYSA-N
-rxn:4:214220:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c1,PQUNOPOKSONTMS-UHFFFAOYSA-N
-rxn:4:214256:224811,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn2C2CCOC2)C1,YYKRQVNWVUVJTJ-UHFFFAOYSA-N
-rxn:4:214273:223506,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,LGOKHADSHNRBOE-UHFFFAOYSA-N
-rxn:4:214296:225898,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,CMCWLRJQVJPCGT-UHFFFAOYSA-N
-rxn:4:214298:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c(C(C)C)s2)cc1,HAICIMMAANILLD-UHFFFAOYSA-N
-rxn:4:214321:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1,ACBSLWUTUZREKT-UHFFFAOYSA-N
-rxn:4:214321:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)ncn2C1CCCN(C(=O)OC(C)(C)C)CC1,NNELUTZPDUISGR-UHFFFAOYSA-N
-rxn:4:214322:224414,O=C(c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,DYPZMUYKRBCWHI-UHFFFAOYSA-N
-rxn:4:214323:226894,O=C(Cn1ccc2ccc(-c3cc(Cl)c(F)cc3C(F)(F)F)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,BLAGUYCEXMXQKZ-UHFFFAOYSA-N
-rxn:4:214337:224318,CN1CCN(C(=O)c2ccc(-c3cccc(CN4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)c3)cc2F)CC1,DMLZPUWEOFFJIB-UHFFFAOYSA-N
-rxn:4:214347:224612,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc21,CWNNSPIFTOEOHD-UHFFFAOYSA-N
-rxn:4:214379:225064,Cc1ccccc1-c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cnc1Cl,NEROFLXALIBPPF-UHFFFAOYSA-N
-rxn:4:214609:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCC(C#N)CC4)c3)c2)CC1,LDQVNBFZIUXFRP-UHFFFAOYSA-N
-rxn:4:214630:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cc2F)CC1,UIGPEFVXSKAQAB-UHFFFAOYSA-N
-rxn:4:214631:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)CC1,DNMPNIRUSCGQGS-UHFFFAOYSA-N
-rxn:4:214678:223583,CCN1CCN(C(=O)c2cc(-c3cn(C(=O)OC(C)(C)C)c4cc(C(=O)OC)ccc34)cnc2Cl)CC1,HXFZUEALAXFJJV-UHFFFAOYSA-N
-rxn:4:214681:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCCC2C(F)(F)F)n1,VLVKPCSKDSUZGS-UHFFFAOYSA-N
-rxn:4:214701:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2CN2CCN(C)CC2)cc1OCCCN1CCN(C)CC1,ZMLBUDAZMYCLSU-UHFFFAOYSA-N
-rxn:4:214702:223602,CCN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,SKFGUTXPZYQWPK-UHFFFAOYSA-N
-rxn:4:214711:224325,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,MAVFULXLROKXIT-UHFFFAOYSA-N
-rxn:4:214749:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C5CCC5)CC4)nc3)ccc2F)CC1,IBNAYCAIIMCWMY-UHFFFAOYSA-N
-rxn:4:214769:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4CCN(C(C)C)CC4)c([N+](=O)[O-])c3)cc2F)CC1,OSDBZXFVHACMSN-UHFFFAOYSA-N
-rxn:4:214786:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cccnc4)C(=O)C3)cc2)CC1,WNQVIMIZDRHGGJ-UHFFFAOYSA-N
-rxn:4:214787:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)cc2)CC1,PLBWTQIKZICGMO-UHFFFAOYSA-N
-rxn:4:214819:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OLRVTIXEKLYRGS-UHFFFAOYSA-N
-rxn:4:214820:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)ccn2)CC1,GHDMILOZALLLMH-UHFFFAOYSA-N
-rxn:4:214828:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C(=O)N4CCC(c5ccn(C)n5)CC4)c3)c2)CC1,HLNBBSXPLICJTL-UHFFFAOYSA-N
-rxn:4:214837:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1OCC,UVXRRPPRVNZOFR-UHFFFAOYSA-N
-rxn:4:214838:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,RXVCVUHUDXYGJN-UHFFFAOYSA-N
-rxn:4:214838:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,CMXGUGBQWDSZIU-UHFFFAOYSA-N
-rxn:4:214855:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1,RVLCWHLWAXBWGY-UHFFFAOYSA-N
-rxn:4:214857:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4ccn(C)n4)CC3)cc2)cc1OCCCN1CCN(C)CC1,HAZWJKSFODHVIH-UHFFFAOYSA-N
-rxn:4:214857:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(c5ccn(C)n5)CC4)cc3)cc2)CC1,HDMXQCGPOPRQHU-UHFFFAOYSA-N
-rxn:4:214859:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,RUBWRZSSVJVQCG-UHFFFAOYSA-N
-rxn:4:214871:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c2)CC1,JGRSIGPQUVTLHG-UHFFFAOYSA-N
-rxn:4:214871:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,TZTVZYVFBOOLEU-UHFFFAOYSA-N
-rxn:4:214883:226844,O=C(C1CCN(c2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,NSDCNZXROSTRHM-UHFFFAOYSA-N
-rxn:4:214900:226844,CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,JNGPAKQHSHTYRY-UHFFFAOYSA-N
-rxn:4:215074:223533,Cn1c(=NC(=O)c2ccc(C#N)cc2)sc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc21,SWPNOCKGGKFJAB-UHFFFAOYSA-N
-rxn:4:215099:224960,COc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1OC1CCCC1,PCTRAOFUBKXBGT-MRXNPFEDSA-N
-rxn:4:215105:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,YYTAIFTVLPJQLT-UHFFFAOYSA-N
-rxn:4:215129:223884,CN(C)C(=O)c1cc2n(n1)CC(c1ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1)OC2,FJYMZJQEJZSOQI-UHFFFAOYSA-N
-rxn:4:215153:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,VEMPZSPIQHWPMY-UHFFFAOYSA-N
-rxn:4:215170:226354,COc1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(Cl)c(C2CC2)c1,VBICQGORJLVBEY-UHFFFAOYSA-N
-rxn:4:215182:222604,COc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc1S(=O)(=O)NC1CCCC1,PLJCFSNYEPLXCW-UHFFFAOYSA-N
-rxn:4:215198:225268,CCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc(C(F)(F)F)c1,RDHHFCWGADNSHK-UHFFFAOYSA-N
-rxn:4:215295:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,QFOMDGZMSFLNPH-UHFFFAOYSA-N
-rxn:4:215295:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,UIHPVOAZKPCZCL-UHFFFAOYSA-N
-rxn:4:215303:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,MAFXLVCHTFJGQM-UHFFFAOYSA-N
-rxn:4:215389:223539,COc1ccc(-c2cnn(C3(C(F)(F)F)CC3)n2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FGTPJQBDDSCLLE-UHFFFAOYSA-N
-rxn:4:215853:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCN(C)CC4)c3)c2)CC1,GNIWQIAABGKSMW-UHFFFAOYSA-N
-rxn:4:215906:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)c1,CVJIFBGGJMQAHG-UHFFFAOYSA-N
-rxn:4:215918:223901,CC1CCN(CCOc2ccc(-c3cc(C(=O)N4CCN(C)CC4)n(C)c3)cc2Cl)CC1,UZWULJFOWJLRKR-UHFFFAOYSA-N
-rxn:4:215956:223784,CCN1CCN(CCOc2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,JKLSHIXJLVWSBD-UHFFFAOYSA-N
-rxn:4:215962:223895,CCN1CCN(CCOc2ccc(-c3nc(C4CC4)cc(N4CCCCC4C)n3)cc2)CC1,KYKQZQGKTNRCFB-UHFFFAOYSA-N
-rxn:4:217206:222466,Cc1cc(N2CCC(C)CC2)nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,OIXILLTUOSTTGK-UHFFFAOYSA-N
-rxn:4:217865:223813,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cn1,QALCTILYBVQACM-UHFFFAOYSA-N
-rxn:4:217889:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,AAHWLGHEHLMILS-UHFFFAOYSA-N
-rxn:4:217905:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,UCYRSUPDXIFMMD-UHFFFAOYSA-N
-rxn:4:218589:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c2)C1,KUNRJCFOFJMINV-UHFFFAOYSA-N
-rxn:4:218589:226007,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(F)c(OCC(F)(F)F)c4)cn3)C2)cc1,GHRBNKJDDUBJJF-UHFFFAOYSA-N
-rxn:4:218619:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccccc2CCC(=O)N2CCC(n3cc(C4CC4)nn3)C2)c1,VNJSLZVUTKMWOS-UHFFFAOYSA-N
-rxn:4:218619:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCC(n2cc(C3CC3)nn2)C1,UOZJNBHOYDYLQJ-UHFFFAOYSA-N
-rxn:4:218684:225430,CCCCOc1cc(C)c(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)c(C)c1,OYTJILPNODWGDO-UHFFFAOYSA-N
-rxn:4:218711:226634,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cncc(-c4ccncn4)c3)CC2)CC1,MJWWQOKJABJCRY-UHFFFAOYSA-N
-rxn:4:218711:229224,CCn1nccc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,JNCPRSXGYQUPOD-UHFFFAOYSA-N
-rxn:4:218755:224297,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cc([N+](=O)[O-])ccc4Sc4ccccc4)cc3n(CC#N)c2=O)CC1,DBAZUOCYVSOZDP-UHFFFAOYSA-N
-rxn:4:218755:227379,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cccnc4N4CCCC4)cc3n(CC#N)c2=O)CC1,PZTFFRFNFYAUSQ-UHFFFAOYSA-N
-rxn:4:218778:225901,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cn(C(=O)OC(C)(C)C)nc4C)cc(Cl)cc32)cc(C)c1F,RNFDLLWJGVJTQR-UHFFFAOYSA-N
-rxn:4:218824:224691,CN(CC1CN(c2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1)S(=O)(=O)C1CC1,LTBUXFWPBMEOLR-UHFFFAOYSA-N
-rxn:4:218834:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)o2)cc1OCCCN1CCN(C)CC1,TWZDLUAGLDJLFH-UHFFFAOYSA-N
-rxn:4:218846:227478,COC(OC)c1cncc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,IXZUBCZABYOTSD-UHFFFAOYSA-N
-rxn:4:218868:225446,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C)cc(OC4CCCC4)c3)cc2)no1,ZEFPYEJRQNMBSF-UHFFFAOYSA-N
-rxn:4:218868:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)no1,ZHNOMOVURUUACD-UHFFFAOYSA-N
-rxn:4:218868:226145,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCC4)cc3)cc2)no1,DEOBTNLSAKDHTC-UHFFFAOYSA-N
-rxn:4:218868:226661,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2)no1,DJUANZIIZBVSRR-UHFFFAOYSA-N
-rxn:4:218885:223602,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,HSDYJCCNECDHAI-UHFFFAOYSA-N
-rxn:4:218886:224759,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,OKHGXSOYZSZYHX-UHFFFAOYSA-N
-rxn:4:218888:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c2)CC1,QKANPUKMASDTJD-UHFFFAOYSA-N
-rxn:4:218944:223166,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCNCC4)nc3)cc2[N+](=O)[O-])CC1,RRVOILNIWFOSLW-UHFFFAOYSA-N
-rxn:4:218944:227387,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,RMGYEGLNSIIKPS-UHFFFAOYSA-N
-rxn:4:218945:226792,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCOCC4)nc3)cncc2[N+](=O)[O-])CC1,FUIGNKILPOPSLC-UHFFFAOYSA-N
-rxn:4:218948:226649,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cccnc3N3CCOCC3)cn2)CC1,PPVMVTLOKNEPPS-UHFFFAOYSA-N
-rxn:4:218970:223945,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,ZQKXCVDTLLZFED-UHFFFAOYSA-N
-rxn:4:218983:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,VYQRTIIKJAXVBI-UHFFFAOYSA-N
-rxn:4:218992:225504,CCCCn1cnc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc21,YKPWCTCBPWYZCO-UHFFFAOYSA-N
-rxn:4:218998:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,SNEAZGXIZPKXPF-UHFFFAOYSA-N
-rxn:4:219013:224981,CC1CN(c2c(-c3cc(C4CC4)cc(-n4ccnc4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,LCWBWROWKCPQRB-UHFFFAOYSA-N
-rxn:4:219048:225723,CN(C)CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc1Cl,DMJPQXYIMIVHOW-UHFFFAOYSA-N
-rxn:4:219093:222605,CCC(=O)C1=C(c2ccc(-c3cc(S(=O)(=O)NC4CCCC4)ccc3OC)cc2)N(C(=O)CC)n2cnnc2S1,LMIRNQGYYFDVPL-UHFFFAOYSA-N
-rxn:4:219093:222745,CCC(=O)C1=C(c2ccc(-c3cccc(CNC(=O)OC(C)(C)C)c3)cc2)N(C(=O)CC)n2cnnc2S1,JNPMFYJMFPLXOJ-UHFFFAOYSA-N
-rxn:4:219093:222915,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)NC4=NCCS4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,CVCBHZSRDDYGSD-UHFFFAOYSA-N
-rxn:4:219093:222916,CCC(=O)C1=C(c2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2)N(C(=O)CC)n2cnnc2S1,GPOAYKKPYFVBNY-UHFFFAOYSA-N
-rxn:4:219093:222919,CCC(=O)C1=C(c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)N(C(=O)CC)n2cnnc2S1,INFGEHOBCFIMHS-UHFFFAOYSA-N
-rxn:4:219093:223497,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,VAHPUPGVAVAXON-UHFFFAOYSA-N
-rxn:4:219093:223557,CCC(=O)C1=C(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)N(C(=O)CC)n2cnnc2S1,JPJXVERZHJIDJS-UHFFFAOYSA-N
-rxn:4:219093:223679,CCC(=O)C1=C(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(CC)CC4)c(C)c3)cc2)N(C(=O)CC)n2cnnc2S1,VOXQUJCFBZRKPB-UHFFFAOYSA-N
-rxn:4:219093:223785,CCC(=O)C1=C(c2ccc(-c3ccc(OCCN4CCN(CC)CC4)c(Cl)c3)cc2)N(C(=O)CC)n2cnnc2S1,IRCSOYMWDYOGSC-UHFFFAOYSA-N
-rxn:4:219093:223892,CCC(=O)C1=C(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,GVIVVZGKDBOIKM-UHFFFAOYSA-N
-rxn:4:219093:223894,CCC(=O)C1=C(c2ccc(-c3cccc(OCCCN4CCN(C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,XGKDPNPPFRLXBN-UHFFFAOYSA-N
-rxn:4:219093:223895,CCC(=O)C1=C(c2ccc(-c3ccc(OCCN4CCN(CC)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,WUPJAAISBJHURQ-UHFFFAOYSA-N
-rxn:4:219093:223897,CCC(=O)C1=C(c2ccc(-c3ccc(C)c(OCCCN4CCOCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,GTXFOEPFUHSSHD-UHFFFAOYSA-N
-rxn:4:219093:224127,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,SNGDWIISYFNMKO-UHFFFAOYSA-N
-rxn:4:219093:224312,CCC(=O)C1=C(c2ccc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,AOIKSJREMYERBO-UHFFFAOYSA-N
-rxn:4:219093:224627,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,AFWDUKBZNVYTTO-UHFFFAOYSA-N
-rxn:4:219093:224740,CCC(=O)C1=C(c2ccc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc2)N(C(=O)CC)n2cnnc2S1,DTIVCBIIJIOSAV-UHFFFAOYSA-N
-rxn:4:219093:225005,CCC(=O)C1=C(c2ccc(-c3cccc(C(C)N4CCOCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,RCGNRESNAQLNTE-UHFFFAOYSA-N
-rxn:4:219093:225943,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)N4CCOCC4)s3)cc2)N(C(=O)CC)n2cnnc2S1,JGHJQXUNOIFQNG-UHFFFAOYSA-N
-rxn:4:219129:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2F)CC1,LMZMTURHHTUFMO-UHFFFAOYSA-N
-rxn:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
-rxn:4:219182:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OHOBHHUGSPGPPS-UHFFFAOYSA-N
-rxn:4:219238:223753,Cc1ccc(-c2cnc(OC3CCN(C(=O)c4ccno4)C3)nc2)cc1OCCCN1CCN(C)CC1,FJMGQPDLHUAHLT-UHFFFAOYSA-N
-rxn:4:219271:224804,CC(C)Oc1ccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1OC(F)(F)F,YVMJQADVBDNEFD-UHFFFAOYSA-N
-rxn:4:219383:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c(F)c2)CC1,YVFUETSZHHYCJT-ANRZFKABSA-N
-rxn:4:219388:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc2c(Cl)ccnc21,PZDMCHPTJHOGDT-UHFFFAOYSA-N
-rxn:4:219405:225172,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc(CN4CCOCC4)ccc3F)n2)CC1,KRNFPJXJYFJDNU-UHFFFAOYSA-N
-rxn:4:219414:227101,Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c(Cl)cc1C1CC1,HXIUZGPLGMPYQN-UHFFFAOYSA-N
-rxn:4:219419:225005,Cc1nc(N2CCN(C(=O)c3ccc(-c4cccc(C(C)N5CCOCC5)c4)o3)CC2)cc(C(F)(F)F)n1,IKNQEZODYFUBDN-UHFFFAOYSA-N
-rxn:4:219436:228363,CN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,KSZXIIQPSZMCGQ-UHFFFAOYSA-N
-rxn:4:219439:224198,CCN1CCN(Cc2ccc(-c3cccc(CN4CCN(c5nccc(C(F)(F)F)n5)CC4)c3)c(F)c2)CC1,LFZOBEFPMSTHTD-UHFFFAOYSA-N
-rxn:4:219453:226844,CC(C)N1CCC(N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1=O,HURIUWPRONHUHG-UHFFFAOYSA-N
-rxn:4:219497:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)c2)CC1,SSIRWSZSDGUYAP-UHFFFAOYSA-N
-rxn:4:219498:227219,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCF)cc1,HZAOXXVJYDQUCN-UHFFFAOYSA-N
-rxn:4:219501:224016,CSc1ncc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AEHLQUGLECCTOC-UHFFFAOYSA-N
-rxn:4:219503:223755,Cc1ncnc(N2CCN(C(=O)Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)c1F,OIADEAGBFZDJHB-UHFFFAOYSA-N
-rxn:4:219515:222565,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cccc(C(=O)NCc4ccccc4Cl)c3)s1)C2,UVFMHNAIQZKODZ-UHFFFAOYSA-N
-rxn:4:219545:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)cc2F)CC1,RGXOOUKXCPJRGX-UHFFFAOYSA-N
-rxn:4:219549:223754,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN(c5cc(-c6ccc(F)cc6)n[nH]5)CC4)c3)cc2Cl)CC1,MHAMJEOVSMEOBD-UHFFFAOYSA-N
-rxn:4:219552:222584,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,LWEWHFCRBXHGTD-UHFFFAOYSA-N
-rxn:4:219624:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)o3)cc2)CC1,FGHDIXJONDMJIJ-UHFFFAOYSA-N
-rxn:4:219643:223895,CCN1CCN(CCOc2ccc(-c3cccc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)c3)cc2)CC1,FFWAVPIOHJYSQM-UHFFFAOYSA-N
-rxn:4:219653:223061,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(C5CCNCC5)ncc4F)nc3s2)CC1,GHSFGHFQNOIVKT-UHFFFAOYSA-N
-rxn:4:219687:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,SBZZZEDXHUZFJM-UHFFFAOYSA-N
-rxn:4:219688:224718,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cn3n2)CC1,NMTQFMKWQBTOBD-UHFFFAOYSA-N
-rxn:4:219692:223931,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c3cnc(Cl)nc32)CC1,KFCNGVKOOIVLBQ-UHFFFAOYSA-N
-rxn:4:219743:223755,CC1CCN(CCCOc2ccc(-c3nc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C(C)C)s3)cc2F)CC1,JDQIXXQNHAVNAU-UHFFFAOYSA-N
-rxn:4:219759:225313,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,LWXKPAKQWUHCLK-UHFFFAOYSA-N
-rxn:4:219760:224834,CN(C)S(=O)(=O)n1cc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCCC5)cccn4c3=O)c2)c(C(F)(F)F)n1,LJSMFPHAHKZBMO-UHFFFAOYSA-N
-rxn:4:219778:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4noc(-c5cn(CC)c6cc(N7CCC(C)CC7)c(F)cc6c5=O)n4)cc3)ccc2F)CC1,NUCITPRBDMILIX-UHFFFAOYSA-N
-rxn:4:219896:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4nccn4)CC3)c2)CC1,QQOMJHPMKMQXFJ-UHFFFAOYSA-N
-rxn:4:219902:225171,CC(C)N1CCN(c2c(-c3cc(F)cc(CN4CCOCC4)c3)cncc2[N+](=O)[O-])CC1,RXDDVGWIDGNAGE-UHFFFAOYSA-N
-rxn:4:219959:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,WJCZIUOAIQHZCH-UHFFFAOYSA-N
-rxn:4:220161:224198,CCN1CCN(Cc2ccc(-c3ccc(N4N=NC5C(=O)N(c6cccc(OC)c6)C(=O)C54)cc3C)c(F)c2)CC1,LRZQAHWPEJDOCH-UHFFFAOYSA-N
-rxn:4:220165:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(c4nnc5ccccn45)C3)cc2)c1,GKWJEFKMHBJTQP-UHFFFAOYSA-N
-rxn:4:220206:223895,CCN1CCN(CCOc2ccc(-c3cccc(-c4nnc5sc(CN6CCC7(CC6)OCCO7)cn45)c3)cc2)CC1,OIEINQAHRSNHPD-UHFFFAOYSA-N
-rxn:4:220209:223078,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c(C)c1,SRMUVKJDVNICPH-UHFFFAOYSA-N
-rxn:4:220222:224566,COC(=O)C1(c2ccc(-c3ccc(C)c(C(=O)N4CCN(c5cc6c(nn5)CCC6)CC4)c3)cc2)CCCC1,GMIIBJDHJABXJG-UHFFFAOYSA-N
-rxn:4:220238:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4nc(N5CCN(c6ccccc6Cl)CC5)nc(-c5ccccc5)c4c3)ccc2F)CC1,DNZKAKCXDIGBQX-UHFFFAOYSA-N
-rxn:4:220395:223960,CCN1CCN(C(=O)c2cc(-c3cnc(C(=O)N4CCN(C)CC4)nc3)ccc2F)CC1,ODVJLERBFBHKAM-UHFFFAOYSA-N
-rxn:4:220429:222929,OC1CCN(c2cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cnc2Cl)CC1,KFDSUGIHFLXEIX-UHFFFAOYSA-N
-rxn:4:220429:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(F)c2)CC1,WREZACXONOCLID-RFJGZHNSSA-N
-rxn:4:220429:224634,COc1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1CN1CCOCC1,FQECRNLTMHEQKO-UHFFFAOYSA-N
-rxn:4:220430:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c2)CC1,HAYLQGJUALBHQD-UHFFFAOYSA-N
-rxn:4:220518:223694,CCN1CCN(c2cnc3ccc(-c4cc(S(=O)(=O)N5CCN(CC)CC5)c(C)cc4F)cc3n2)CC1,KCOSBSHLYYHWGH-UHFFFAOYSA-N
-rxn:4:220540:224198,CCN1CCN(Cc2ccc(-c3ccc(N4N=NC5C(=O)N(c6cc(C)cc(C)c6)C(=O)C54)cc3)c(F)c2)CC1,IAGIUYZHHZCEBS-UHFFFAOYSA-N
-rxn:4:220936:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)c(Cl)c2)CC1,TWKCWYHLTPZLME-UHFFFAOYSA-N
-rxn:4:221094:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,IBVBDXNGTVYOID-UHFFFAOYSA-N
-rxn:4:221107:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5cnc(C)c(C)c5=O)C4)nc3)c(F)c2)CC1,CKMROKWCBCOMRK-UHFFFAOYSA-N
-rxn:4:221116:223280,CCOc1ccc(-c2cnc(C3CCNC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,GEGDKLLNUUISBA-UHFFFAOYSA-N
-rxn:4:221121:222395,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NC6CCC(O)CC6)c5)ccc43)CC2)CC1,HRCAOHWQDKKSQD-UHFFFAOYSA-N
-rxn:4:221121:222396,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NC6CCC(O)CC6)cc5)ccc43)CC2)CC1,PWJOYAHJFRYHHE-UHFFFAOYSA-N
-rxn:4:221121:222397,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCCc6c[nH]cn6)cc5)ccc43)CC2)CC1,WVZJALGMLWWXQN-UHFFFAOYSA-N
-rxn:4:221121:222401,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)Nc6nnn[nH]6)c5)ccc43)CC2)CC1,BFJYFUAHCWLEAQ-UHFFFAOYSA-N
-rxn:4:221121:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,SRTUYTWYDSCKGM-UHFFFAOYSA-N
-rxn:4:221121:222434,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6cccc(OC(F)(F)F)c6)cc5)ccc43)CC2)CC1,MRAXTFNDTHOKJD-UHFFFAOYSA-N
-rxn:4:221121:222452,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)c(NC(=O)OCc6ccccc6)c5)ccc43)CC2)CC1,CMXFHOFFPLPKAW-UHFFFAOYSA-N
-rxn:4:221121:222453,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6ccccc6C(F)(F)F)cc5)ccc43)CC2)CC1,FSMUXGJTQOIEIH-UHFFFAOYSA-N
-rxn:4:221121:222480,Cc1cccc(NC(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2F)c1C,YXENDRFEFAGBPY-UHFFFAOYSA-N
-rxn:4:221121:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c(C)c1,PGMQDNGVGFCXTH-UHFFFAOYSA-N
-rxn:4:221121:222527,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(OCc7ccccc7)cccc6[nH]5)ccc43)CC2)CC1,BHYHDSMIMGVFML-UHFFFAOYSA-N
-rxn:4:221121:222540,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NCCN6CCCCC6)c5)ccc43)CC2)CC1,UADOHOBYLLHGQP-UHFFFAOYSA-N
-rxn:4:221121:222541,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCCN6CCCCC6)cc5)ccc43)CC2)CC1,NUQHRDOEICNISS-UHFFFAOYSA-N
-rxn:4:221121:222545,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(C)(C)NC(=O)OC(C)(C)C)cc5)ccc43)CC2)CC1,JFILDBXTFKSYTC-UHFFFAOYSA-N
-rxn:4:221121:222559,COc1ccccc1NC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,BZRBXDNUFHSJBX-UHFFFAOYSA-N
-rxn:4:221121:222561,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NCc6ccc(F)cc6)c5)ccc43)CC2)CC1,ATEPJVQTWFGBRS-UHFFFAOYSA-N
-rxn:4:221121:222584,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCCN6CCNCC6)c(F)c5)ccc43)CC2)CC1,KOWZJXUMORPODM-UHFFFAOYSA-N
-rxn:4:221121:222588,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCC(O)CC6)c(F)c5)ccc43)CC2)CC1,DKXPNJXIBKSYCS-UHFFFAOYSA-N
-rxn:4:221121:222589,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCC(O)CC6)c(Cl)c5)ccc43)CC2)CC1,SSXCNBPXRWMTFT-UHFFFAOYSA-N
-rxn:4:221121:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)c1,SMOGUJXLIWTWNL-UHFFFAOYSA-N
-rxn:4:221121:222610,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c5)ccc43)CC2)CC1,WPLZXQJBFGTECO-UHFFFAOYSA-N
-rxn:4:221121:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,VLHGZJBELJYKJW-UHFFFAOYSA-N
-rxn:4:221121:222620,COc1ccc(CNc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,NTHLPRXAYJHBRW-UHFFFAOYSA-N
-rxn:4:221121:222628,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)ccc43)CC2)CC1,FRVOKTJNCMPMEJ-UHFFFAOYSA-N
-rxn:4:221121:222634,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCNC6CCCC6)c(F)c5)ccc43)CC2)CC1,YYADTZMQSTXFQA-UHFFFAOYSA-N
-rxn:4:221121:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,FJJKZWJQSLSEDF-RUZDIDTESA-N
-rxn:4:221121:222644,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCc6ccccn6)cc5)ccc43)CC2)CC1,PRLRWHOEMQSECJ-UHFFFAOYSA-N
-rxn:4:221121:222645,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCN6CCC(O)CC6)c5)ccc43)CC2)CC1,FKIGSBPJWRYISF-UHFFFAOYSA-N
-rxn:4:221121:222649,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC(=O)Oc6ccccc6)cc5)ccc43)CC2)CC1,GIUUOBGZSZXCNW-UHFFFAOYSA-N
-rxn:4:221121:222666,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)Nc6ccccc6F)c5)ccc43)CC2)CC1,QOFZBCIVWORSII-UHFFFAOYSA-N
-rxn:4:221121:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,UONHMSYMHZDTDX-UHFFFAOYSA-N
-rxn:4:221121:222684,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)ccc43)CC2)CC1,YMWHZIIWWLXQBY-UHFFFAOYSA-N
-rxn:4:221121:222693,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)ccc43)CC2)CC1,OMKIZDSNPJKWBH-UHFFFAOYSA-N
-rxn:4:221121:222701,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,VYYRCUNLKICFGJ-UHFFFAOYSA-N
-rxn:4:221121:222704,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCNCC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,JBGSWLDTADLTRY-UHFFFAOYSA-N
-rxn:4:221121:222707,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(CNC(=O)OC(C)(C)C)c5F)ccc43)CC2)CC1,PBQNDVYDCCRRHY-UHFFFAOYSA-N
-rxn:4:221121:222739,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NCc6cccc(F)c6)cc5)ccc43)CC2)CC1,VADQMZCGFXKZJR-UHFFFAOYSA-N
-rxn:4:221121:222742,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCNCC6)nc(C6CC6)c5)ccc43)CC2)CC1,OCZJLRCSVXBSRE-UHFFFAOYSA-N
-rxn:4:221121:222748,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NCC6CCCO6)c5)ccc43)CC2)CC1,PRCIGEVKZRYOQQ-UHFFFAOYSA-N
-rxn:4:221121:222765,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)Nc6ccccn6)c5)ccc43)CC2)CC1,UXGXDJRSEONBPF-UHFFFAOYSA-N
-rxn:4:221121:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,DOXGYYGPYZINNE-UHFFFAOYSA-N
-rxn:4:221121:222806,CCCNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,GDZZJKWXMZSOOV-UHFFFAOYSA-N
-rxn:4:221121:222808,CC(C)NC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,XMBYFQNUIUDBBO-UHFFFAOYSA-N
-rxn:4:221121:222818,COC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cc1NC(C)=O,NIFCXLYFZPAKCH-UHFFFAOYSA-N
-rxn:4:221121:222836,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC(=O)CC(C)(C)C)cc5)ccc43)CC2)CC1,FVPHCVBFZYQZGT-UHFFFAOYSA-N
-rxn:4:221121:222845,CC(c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1)N1CCNCC1,JVXBBXSCCLNZKX-UHFFFAOYSA-N
-rxn:4:221121:222851,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCNCC2)n1,FZXGIZWFWCXSHJ-UHFFFAOYSA-N
-rxn:4:221121:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,BHTNHRXBOUOPHN-UHFFFAOYSA-N
-rxn:4:221121:222855,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCCNC2)c1,POZFUODHYUFKGE-UHFFFAOYSA-N
-rxn:4:221121:222859,CN(C)CCNC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,UUXGTUOMZVBXHX-UHFFFAOYSA-N
-rxn:4:221121:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,PWNOKMDBWNERAD-UHFFFAOYSA-N
-rxn:4:221121:222869,CC(C)CNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,ZEJVSSAWYWYRHD-UHFFFAOYSA-N
-rxn:4:221121:222891,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCNCC2)n1,GPRMEFHJVQCLRS-UHFFFAOYSA-N
-rxn:4:221121:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc12,HEODBWZSCYENBS-UHFFFAOYSA-N
-rxn:4:221121:222916,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NC6=NCCS6)c5)ccc43)CC2)CC1,PGSAQEJCUHFBKZ-UHFFFAOYSA-N
-rxn:4:221121:222944,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NC6CC6)cc5F)ccc43)CC2)CC1,UCLGFORMIHWWHV-UHFFFAOYSA-N
-rxn:4:221121:222958,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C1CCNCC1,ZZIARYUGJHFBPW-UHFFFAOYSA-N
-rxn:4:221121:222959,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C1CCNCC1,LQLTZKYZIFDBEV-UHFFFAOYSA-N
-rxn:4:221121:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,UIPIWCJHRAZGQU-UHFFFAOYSA-N
-rxn:4:221121:222998,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(C6CCCNC6)c5)ccc43)CC2)CC1,GWYSAODORDBAAO-UHFFFAOYSA-N
-rxn:4:221121:222999,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cc(C6CCCNC6)c5)ccc43)CC2)CC1,IAEIVIUJJFNRMZ-UHFFFAOYSA-N
-rxn:4:221121:223004,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCNCC6)c(F)c5)ccc43)CC2)CC1,WPJBSFCUIPJBFN-UHFFFAOYSA-N
-rxn:4:221121:223007,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(C6CCNCC6)c5)ccc43)CC2)CC1,OJMFMHUUJFYPOT-UHFFFAOYSA-N
-rxn:4:221121:223008,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCNCC6)ccc5F)ccc43)CC2)CC1,NJRMGLAACQVISE-UHFFFAOYSA-N
-rxn:4:221121:223024,CCCNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,RQLVZKYJXNYFBN-UHFFFAOYSA-N
-rxn:4:221121:223030,CC(C)OC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,JWYFOGMTBSQJSI-UHFFFAOYSA-N
-rxn:4:221121:223054,CC(c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1)N1CCC(O)C1,CMRDCJUFWNAGLZ-UHFFFAOYSA-N
-rxn:4:221121:223056,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCC(O)CC6)nc5)ccc43)CC2)CC1,FPVCVUPDLJHXMK-UHFFFAOYSA-N
-rxn:4:221121:223060,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)nc(C6CCNCC6)c5)ccc43)CC2)CC1,XHNOIBAQYORGJS-UHFFFAOYSA-N
-rxn:4:221121:223065,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCNCC6)cc5F)ccc43)CC2)CC1,XKEINKLZZTXDHN-UHFFFAOYSA-N
-rxn:4:221121:223068,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6[nH]c(C(F)(F)F)cc6c5)ccc43)CC2)CC1,OAMGOQYROHVOHQ-UHFFFAOYSA-N
-rxn:4:221121:223071,CCS(=O)(=O)NCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,AMMKDJVLXJUNIE-UHFFFAOYSA-N
-rxn:4:221121:223140,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C6CCCNC6)c5)ccc43)CC2)CC1,BKQFWOIESLVTTR-UHFFFAOYSA-N
-rxn:4:221121:223151,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCC#N)cc5)ccc43)CC2)CC1,QDPFIZNQGXMVKD-UHFFFAOYSA-N
-rxn:4:221121:223156,CCNC(=O)c1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,ASPRCXGLSCMATM-UHFFFAOYSA-N
-rxn:4:221121:223162,CNC(=O)c1ccc(OC)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GHFVEDFKMIBZDN-UHFFFAOYSA-N
-rxn:4:221121:223165,CC(=O)Nc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)c1C,ORBBIJQIAJRLBC-UHFFFAOYSA-N
-rxn:4:221121:223167,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(N6CCNCC6)c5)ccc43)CC2)CC1,CMBFCYMCPQIYOS-UHFFFAOYSA-N
-rxn:4:221121:223169,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCNCC6)nc5)ccc43)CC2)CC1,ZYGKQPKLZVPSHL-UHFFFAOYSA-N
-rxn:4:221121:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,YIILNVRNTIPBDK-UHFFFAOYSA-N
-rxn:4:221121:223180,CONC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,GFXHSRXSCYICIH-UHFFFAOYSA-N
-rxn:4:221121:223227,CC(NC1CC1)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,KKZHQZZKCTZGTQ-UHFFFAOYSA-N
-rxn:4:221121:223247,Cc1n[nH]c2cc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,LUWQOTYUGFLLTB-UHFFFAOYSA-N
-rxn:4:221121:223257,CONC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,CWWAIHVBQNQGET-UHFFFAOYSA-N
-rxn:4:221121:223282,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(Cl)c6[nH]ncc56)ccc43)CC2)CC1,VAYVULLELZNIBD-UHFFFAOYSA-N
-rxn:4:221121:223296,Cc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)[nH]c2c1,SJNLSBMOOYWZJK-UHFFFAOYSA-N
-rxn:4:221121:223316,Cc1n[nH]c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,UWTJADUUKFGKAW-UHFFFAOYSA-N
-rxn:4:221121:223319,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc2cn[nH]c12,SZUYDSXADAYVJR-UHFFFAOYSA-N
-rxn:4:221121:223323,Cc1cc2cn[nH]c2cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,NQMQULGNKWHKLM-UHFFFAOYSA-N
-rxn:4:221121:223330,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cc(Cl)ccc6[nH]5)ccc43)CC2)CC1,GVFLXSWCYVWDKS-UHFFFAOYSA-N
-rxn:4:221121:223332,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cc(F)ccc6[nH]5)ccc43)CC2)CC1,BPKAFWKGYOWKFS-UHFFFAOYSA-N
-rxn:4:221121:223339,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cccc(Cl)c6[nH]5)ccc43)CC2)CC1,KNHCBRYPSAOZER-UHFFFAOYSA-N
-rxn:4:221121:223401,CNc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C,NBJOZXVUSOFUEU-UHFFFAOYSA-N
-rxn:4:221121:223420,CCNc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,XSEYKFSXPYGPDJ-UHFFFAOYSA-N
-rxn:4:221121:223421,CNC(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,GDQQRPQMAYXGCU-UHFFFAOYSA-N
-rxn:4:221121:223456,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(=O)[nH]n5)ccc43)CC2)CC1,PZYQUNNAPMHKSC-UHFFFAOYSA-N
-rxn:4:221121:223482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)ccc43)CC2)CC1,LTQYFFUEGDDVET-UHFFFAOYSA-N
-rxn:4:221121:223485,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc43)CC2)CC1,AIQBVJJDQZGROD-UHFFFAOYSA-N
-rxn:4:221121:223496,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(N(Cc6ccccc6)Cc6ccccc6)c5)ccc43)CC2)CC1,BEESINMDKRIYGF-UHFFFAOYSA-N
-rxn:4:221121:223500,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)CC1,QMPQSTBGZAHZQG-UHFFFAOYSA-N
-rxn:4:221121:223501,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)ccc43)CC2)CC1,JGIXBWGBJCDXDK-UHFFFAOYSA-N
-rxn:4:221121:223507,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccccc5S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc43)CC2)CC1,LGJCPXFVJYZNLT-UHFFFAOYSA-N
-rxn:4:221121:223508,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)ccc43)CC2)CC1,YVNVIIMPQPNOHQ-UHFFFAOYSA-N
-rxn:4:221121:223510,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc43)CC2)CC1,HZFGBTLUBGUCEY-UHFFFAOYSA-N
-rxn:4:221121:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,QJFXZWXUBPOLMA-UHFFFAOYSA-N
-rxn:4:221121:223524,COc1ccc2c(c1)c(-c1ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c1)cn2S(=O)(=O)c1ccc(C)cc1,OOEKDAUHMFTEOE-UHFFFAOYSA-N
-rxn:4:221121:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)cc1,GHKOVNONTWFXDC-UHFFFAOYSA-N
-rxn:4:221121:223539,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LILARRJEDHRLAO-UHFFFAOYSA-N
-rxn:4:221121:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ADZQEMRQFLQMRJ-UHFFFAOYSA-N
-rxn:4:221121:223552,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)CC2)CC1,DWWAAFJVSHXDPS-UHFFFAOYSA-N
-rxn:4:221121:223553,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6)cc5)ccc43)CC2)CC1,NUFMMRQOIDFNQZ-UHFFFAOYSA-N
-rxn:4:221121:223556,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)c5ccccc5n6C(=O)OC(C)(C)C)ccc43)CC2)CC1,LQZXICOIKRGKKO-UHFFFAOYSA-N
-rxn:4:221121:223558,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)CCN(C(=O)OCc5ccccc5)C6)ccc43)CC2)CC1,KRIHSDPNRBOIFT-UHFFFAOYSA-N
-rxn:4:221121:223560,COC(=O)c1cc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)nc2ccccc12,GJTNHTABAYUAOR-UHFFFAOYSA-N
-rxn:4:221121:223565,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ncc(-c7ccc(N(C)C)cc7)o6)cc5)ccc43)CC2)CC1,UZCXTMUQLXWQHS-UHFFFAOYSA-N
-rxn:4:221121:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DXYBRVDBTFJZPW-UHFFFAOYSA-N
-rxn:4:221121:223595,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)ccc43)CC2)CC1,RIYPJHNQWXAUGX-UHFFFAOYSA-N
-rxn:4:221121:223596,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)cc5N5CCN(C(=O)OC(C)(C)C)CC5)ccc43)CC2)CC1,FDYCETDRSLBUJY-UHFFFAOYSA-N
-rxn:4:221121:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c3cc(Cl)cnc32)cc1,CBBIACFMWQNBDK-UHFFFAOYSA-N
-rxn:4:221121:223631,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(Cl)c(OCc7ccccc7)ccc6c5)ccc43)CC2)CC1,VJNUCJMRKRPZBQ-UHFFFAOYSA-N
-rxn:4:221121:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,KSEFPINTLFDSIB-UHFFFAOYSA-N
-rxn:4:221121:223642,Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c3ccccc32)cc1,VCURFXRYZOVRHU-UHFFFAOYSA-N
-rxn:4:221121:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)C1,RNNMFXHFLWAJBL-UHFFFAOYSA-N
-rxn:4:221121:223663,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCc6ccccc6)cc(OC(F)(F)F)c5)ccc43)CC2)CC1,PYWJSDWYBQTPKF-UHFFFAOYSA-N
-rxn:4:221121:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,MZZXDRMEUWNHNW-UHFFFAOYSA-N
-rxn:4:221121:223683,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(OC6CCN(C(=O)OC(C)(C)C)C6)nc5)ccc43)CC2)CC1,VOWJGGZBYSDWSD-UHFFFAOYSA-N
-rxn:4:221121:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2OC)CC1,IIALCVKRLNDSDI-UHFFFAOYSA-N
-rxn:4:221121:223693,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c5F)ccc43)CC2)CC1,QSGXTWLCQWOEGO-UHFFFAOYSA-N
-rxn:4:221121:223712,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,SQDIQCVBMJWZAP-UHFFFAOYSA-N
-rxn:4:221121:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,SCRXHWCPTXCXOZ-UHFFFAOYSA-N
-rxn:4:221121:223743,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OCCCN1CCC(C)CC1,OLXOJVCJYJFUOK-UHFFFAOYSA-N
-rxn:4:221121:223753,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OCCCN1CCN(C)CC1,VVXNHALAGQYXOL-UHFFFAOYSA-N
-rxn:4:221121:223765,Cc1ccc(-c2nc(-c3ccc(-c4ccc5c(ccn5CC(=O)N5CCN(CC(=O)N6CCN(C)CC6)CC5)c4)cc3)no2)cc1,FVKNTQVNRGLJEP-UHFFFAOYSA-N
-rxn:4:221121:223767,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(C#N)cc6n5C(=O)OC(C)(C)C)ccc43)CC2)CC1,IQSPCUGGFFGUCU-UHFFFAOYSA-N
-rxn:4:221121:223772,COc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)n(C(=O)OC(C)(C)C)c2c1,OIIHWAVDRVCREZ-UHFFFAOYSA-N
-rxn:4:221121:223784,CCN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,JKBVPNBLLAAKFT-UHFFFAOYSA-N
-rxn:4:221121:223785,CCN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)CC1,PQUYNSBYELPDPD-UHFFFAOYSA-N
-rxn:4:221121:223791,COc1ccc(N(C)C(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)cc1,KYPGEDTZRYHNFG-UHFFFAOYSA-N
-rxn:4:221121:223811,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCC7(CC6)OCCO7)c(Cl)c5)ccc43)CC2)CC1,RXFFRRMHWMCACQ-UHFFFAOYSA-N
-rxn:4:221121:223823,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)CC1,ANSDMGRAHDSSNM-UHFFFAOYSA-N
-rxn:4:221121:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2C)CC1,MVEKXTQISBNLLV-UHFFFAOYSA-N
-rxn:4:221121:223846,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,OCRIZUDRRPQSEE-UHFFFAOYSA-N
-rxn:4:221121:223857,CCCCn1c2ccccc2c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc21,BKKOBNCJSVKFNB-UHFFFAOYSA-N
-rxn:4:221121:223858,COc1cc2c(cc1-c1ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c1)-c1ccccc1C2(C)C,BTHDFCWCWZQULV-UHFFFAOYSA-N
-rxn:4:221121:223891,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)ccc6c5ccn6[Si](C)(C)C(C)(C)C)ccc43)CC2)CC1,HGOFGHIVYYGVMT-UHFFFAOYSA-N
-rxn:4:221121:223905,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)c1OCc1ccccc1,BFMWKPWIUOGNLJ-UHFFFAOYSA-N
-rxn:4:221121:223918,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)ccc43)CC2)CC1,OGSOQNFXFVPZME-UHFFFAOYSA-N
-rxn:4:221121:223919,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N(C)C6CCCCC6)c(Cl)c5)ccc43)CC2)CC1,IIHZMMVSGAPARN-UHFFFAOYSA-N
-rxn:4:221121:223923,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(C(=O)N(C)C6CCCCC6)c5)ccc43)CC2)CC1,NZDZOZLRENBBBU-UHFFFAOYSA-N
-rxn:4:221121:223926,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5)ccc43)CC2)CC1,MVXXYXHJLMMRLG-UHFFFAOYSA-N
-rxn:4:221121:223942,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6nnn(Cc7ccccc7)c6cc5F)ccc43)CC2)CC1,WQTFIWUJFVAQDC-UHFFFAOYSA-N
-rxn:4:221121:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,DCZHHVOBUZSGQN-UHFFFAOYSA-N
-rxn:4:221121:223954,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCC(=O)CC6)c(F)c5)ccc43)CC2)CC1,XDLKDXVYQPAAIA-UHFFFAOYSA-N
-rxn:4:221121:223957,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c5)ccc43)CC2)CC1,WZZHFZBABWURRR-UHFFFAOYSA-N
-rxn:4:221121:223958,CCN1CCN(C(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,UFJMENYBRVQUAP-UHFFFAOYSA-N
-rxn:4:221121:223964,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(C(F)(F)F)cc6)cc5)ccc43)CC2)CC1,CTECVWGKHCSVMB-UHFFFAOYSA-N
-rxn:4:221121:223965,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6cccc(C(F)(F)F)c6)cc5)ccc43)CC2)CC1,IOTDRMLQQJWEPN-UHFFFAOYSA-N
-rxn:4:221121:223966,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)cc5)ccc43)CC2)CC1,ZIXJCLLBDQZSMK-UHFFFAOYSA-N
-rxn:4:221121:223972,CC1CCCCN1c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,TZCBKERYDPORBA-UHFFFAOYSA-N
-rxn:4:221121:223973,CC1CCCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C(F)(F)F)c2)C1,GVPABTIMZCKUOU-UHFFFAOYSA-N
-rxn:4:221121:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,WKPGHZYDHRNLFD-UHFFFAOYSA-N
-rxn:4:221121:223992,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,DCDHVMLNLKTGDJ-UHFFFAOYSA-N
-rxn:4:221121:223995,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,VXUNLMFGJWXLLP-UHFFFAOYSA-N
-rxn:4:221121:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,ULVLIXJTBWGXEV-UHFFFAOYSA-N
-rxn:4:221121:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,IYDMWXPEQQXUCX-UHFFFAOYSA-N
-rxn:4:221121:224003,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(Cl)c(-c6cccc(C(F)(F)F)c6)c5)ccc43)CC2)CC1,DYADNDMZMIMZBJ-UHFFFAOYSA-N
-rxn:4:221121:224013,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccc(C(F)(F)F)cc6)nc5Cl)ccc43)CC2)CC1,VZRMBFPIODHAPX-UHFFFAOYSA-N
-rxn:4:221121:224052,CCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)cc1,AYEUGGLKNKWRJW-UHFFFAOYSA-N
-rxn:4:221121:224063,CC1CCCN(c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc(C3CC3)c2)C1,YZANJBWMFOMSBE-UHFFFAOYSA-N
-rxn:4:221121:224064,CC1CCCCN1c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CC2)c1,RCGGWBNURGZWAP-UHFFFAOYSA-N
-rxn:4:221121:224079,Cc1ccc2nc(-c3ccc(-c4ccc5c(ccn5CC(=O)N5CCN(CC(=O)N6CCN(C)CC6)CC5)c4)cc3)cn2c1,HPWSDELJMOUHEE-UHFFFAOYSA-N
-rxn:4:221121:224084,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6cccc(C#N)c6)cc5)ccc43)CC2)CC1,ALMKBIHSNOVJQR-UHFFFAOYSA-N
-rxn:4:221121:224126,CCN1CCN(C(C)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,WDOPCUXCGYWXDG-UHFFFAOYSA-N
-rxn:4:221121:224144,Cc1ccc(OCc2ccccc2F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,OEAUYTTXPPFROO-UHFFFAOYSA-N
-rxn:4:221121:224150,Cc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OCc1ccccc1,ZRDOZJSBFHMWMS-UHFFFAOYSA-N
-rxn:4:221121:224151,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)c1OCc1ccccc1,GTRMRNBUWNAMCG-UHFFFAOYSA-N
-rxn:4:221121:224155,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CC6)cc(N6CCN(C)CC6)c5)ccc43)CC2)CC1,DYFKLHDIXMFQRO-UHFFFAOYSA-N
-rxn:4:221121:224158,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(ccn6C(=O)OC(C)(C)C)c5)ccc43)CC2)CC1,LVWQHRYXCOMUMG-UHFFFAOYSA-N
-rxn:4:221121:224166,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6nc7c(Cl)cccc7s6)c5)ccc43)CC2)CC1,AIEOYXQCXPOSSK-UHFFFAOYSA-N
-rxn:4:221121:224170,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCCN6CCCC6)c(Cl)c5)ccc43)CC2)CC1,AHPDNLJDDDCPJG-UHFFFAOYSA-N
-rxn:4:221121:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,CQXBZHJFUPJULI-UHFFFAOYSA-N
-rxn:4:221121:224176,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCSC6CCOCC6)cc5)ccc43)CC2)CC1,ZEGUCHKYNUQLAD-UHFFFAOYSA-N
-rxn:4:221121:224179,CN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,OJWFIGXQQSWODM-UHFFFAOYSA-N
-rxn:4:221121:224186,COc1ccc(OCc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)cc1,ZMLGJZKFCLJRML-UHFFFAOYSA-N
-rxn:4:221121:224193,CCN1CCN(Cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2F)CC1,VOMGYODYJLKVQW-UHFFFAOYSA-N
-rxn:4:221121:224194,CCN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)CC1,XEIKCOQEUBBOEC-UHFFFAOYSA-N
-rxn:4:221121:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,ZEPOIDXWTMOWNO-UHFFFAOYSA-N
-rxn:4:221121:224197,CCN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,VSUSVNRYWSKYOO-UHFFFAOYSA-N
-rxn:4:221121:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,AMJXRNGTGSLWQR-UHFFFAOYSA-N
-rxn:4:221121:224219,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)ccc(OCc6ccccc6)c5Cl)ccc43)CC2)CC1,WVZJYKHNPSMQCJ-UHFFFAOYSA-N
-rxn:4:221121:224226,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(OCc6ccccc6)c5F)ccc43)CC2)CC1,YCQIENPVOZYSFK-UHFFFAOYSA-N
-rxn:4:221121:224229,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(OCc6ccccc6)c(Cl)c5)ccc43)CC2)CC1,PECQVTWOHDGFRA-UHFFFAOYSA-N
-rxn:4:221121:224244,CC1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2Cl)CC1,KBXMMFNKCSHNMX-UHFFFAOYSA-N
-rxn:4:221121:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)C1,YEEFWXHCCZHJNI-UHFFFAOYSA-N
-rxn:4:221121:224259,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)ccc43)CC2)CC1,XAIXKEAVBYQNNR-UHFFFAOYSA-N
-rxn:4:221121:224278,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6c(ccn6C(=O)OC(C)(C)C)c5)ccc43)CC2)CC1,MXPSKNQXADONKA-UHFFFAOYSA-N
-rxn:4:221121:224280,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(s5)CCN(C(=O)OC(C)(C)C)C6)ccc43)CC2)CC1,XOWSGOZFRXBZKX-UHFFFAOYSA-N
-rxn:4:221121:224289,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(C)C(=O)OC(C)(C)C)cc5F)ccc43)CC2)CC1,WZRRMBNJYXVTRQ-UHFFFAOYSA-N
-rxn:4:221121:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,AKPRFCCZVSXXKD-UHFFFAOYSA-N
-rxn:4:221121:224303,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(F)c5F)ccc43)CC2)CC1,DHTKGXNEQVGIQI-UHFFFAOYSA-N
-rxn:4:221121:224307,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(O[Si](C)(C)C(C)(C)C)cc5F)ccc43)CC2)CC1,NMVHMAAWVORYEV-UHFFFAOYSA-N
-rxn:4:221121:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,NOPSYCCOADNHBW-UHFFFAOYSA-N
-rxn:4:221121:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)C1,DQLRPVXHLXULEA-UHFFFAOYSA-N
-rxn:4:221121:224331,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)nc5)ccc43)CC2)CC1,DLMPNHVVEISWEU-UHFFFAOYSA-N
-rxn:4:221121:224332,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc(C(F)(F)F)cn6)c5)ccc43)CC2)CC1,AAAKPLRTQMPGAF-UHFFFAOYSA-N
-rxn:4:221121:224345,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6ccccn6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,DUBJNFQXGQRDNU-UHFFFAOYSA-N
-rxn:4:221121:224351,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCCO6)c(C(F)(F)F)c5)ccc43)CC2)CC1,ONGQLAKWZXENJU-UHFFFAOYSA-N
-rxn:4:221121:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OC,OHKABXZEQBPWEZ-UHFFFAOYSA-N
-rxn:4:221121:224372,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(=O)N6CCCC6)cc([N+](=O)[O-])c5)ccc43)CC2)CC1,RNWPZHXJTCSOIJ-UHFFFAOYSA-N
-rxn:4:221121:224375,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)ON6C(=O)CCC6=O)cc5)ccc43)CC2)CC1,UEKUAKGHSPBJBO-UHFFFAOYSA-N
-rxn:4:221121:224376,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(S(=O)(=O)N6CCN(C)CC6)c5)ccc43)CC2)CC1,NPUPRERPOUDFRM-UHFFFAOYSA-N
-rxn:4:221121:224380,Cc1nccn1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)(F)F,IXPOFYDAYYWVJB-UHFFFAOYSA-N
-rxn:4:221121:224382,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2C(F)(F)F)n1,OAOJVQDPQRLSFJ-UHFFFAOYSA-N
-rxn:4:221121:224385,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccccc6C(F)(F)F)nc5)ccc43)CC2)CC1,VMZIXGWZYSHGPG-UHFFFAOYSA-N
-rxn:4:221121:224389,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C(F)(F)F)c2)n1,SPDXKUXUWCAPDX-UHFFFAOYSA-N
-rxn:4:221121:224419,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc43)CC2)CC1,BVQHDDUIPIGEEW-UHFFFAOYSA-N
-rxn:4:221121:224427,CCn1c2ccccc2c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc21,BUFKSZAIUOZGOX-UHFFFAOYSA-N
-rxn:4:221121:224430,CCC(C)Oc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1,BPIWKCXIYBZDJF-UHFFFAOYSA-N
-rxn:4:221121:224437,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN(C)c6ccccc6)cc5)ccc43)CC2)CC1,ADXWAIHODZLPMU-UHFFFAOYSA-N
-rxn:4:221121:224444,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCc1ccccc1,ZPDTWHXJHOFSNC-UHFFFAOYSA-N
-rxn:4:221121:224462,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCN(C7CC7)CC6)cc5)ccc43)CC2)CC1,FSXNMUSGOUJTRU-UHFFFAOYSA-N
-rxn:4:221121:224467,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6cccs6)cc(C(C)(C)C)c5)ccc43)CC2)CC1,UEYOOOZFQXEWBC-UHFFFAOYSA-N
-rxn:4:221121:224468,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6ccsc6)cc(C(C)(C)C)c5)ccc43)CC2)CC1,UCCHKGCYVVJUMC-UHFFFAOYSA-N
-rxn:4:221121:224469,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6ccco6)cc(C(C)(C)C)c5)ccc43)CC2)CC1,RMBMPXVAXZRAKP-UHFFFAOYSA-N
-rxn:4:221121:224497,CCN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,AYVWHYSKIHRXQC-UHFFFAOYSA-N
-rxn:4:221121:224526,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6ccccc6Cl)cc5)ccc43)CC2)CC1,HKDPLYRSNPWSIK-UHFFFAOYSA-N
-rxn:4:221121:224532,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6cccc(Cl)c6)cc5)ccc43)CC2)CC1,DHDRLVSKRATLBL-UHFFFAOYSA-N
-rxn:4:221121:224542,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6cccc(Cl)c6)c5)ccc43)CC2)CC1,JBQWEQJMMYQXKS-UHFFFAOYSA-N
-rxn:4:221121:224550,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(Cl)c5)ccc43)CC2)CC1,XSVXHZSYDYATNV-UHFFFAOYSA-N
-rxn:4:221121:224553,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)cc5Cl)ccc43)CC2)CC1,QJIUEGGOEXNLOA-UHFFFAOYSA-N
-rxn:4:221121:224576,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(C(C)(C)C)cc6)c5)ccc43)CC2)CC1,IXDNNAMBFSATIM-UHFFFAOYSA-N
-rxn:4:221121:224582,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(N6CCN(C7CC7)CC6)c5)ccc43)CC2)CC1,IBZQOINCXZROTG-UHFFFAOYSA-N
-rxn:4:221121:224585,CC1CCN(C(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,AYDGHYSOTAUNPD-UHFFFAOYSA-N
-rxn:4:221121:224587,CC1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,LBWRZJAAZJUYIL-UHFFFAOYSA-N
-rxn:4:221121:224590,CC1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,ZRCZWLMNDXYHKC-UHFFFAOYSA-N
-rxn:4:221121:224600,Cc1ccc(-c2cc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)cc1,PGIMKSYNQAJGDW-UHFFFAOYSA-N
-rxn:4:221121:224607,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)OCC[Si](C)(C)C)cc5)ccc43)CC2)CC1,CAFZJUURZGGPKH-UHFFFAOYSA-N
-rxn:4:221121:224610,CCCCc1nc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)no1,RPWNASNLTGOSGC-UHFFFAOYSA-N
-rxn:4:221121:224617,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCCC6)c(Cl)c5)ccc43)CC2)CC1,ULMDUJVKFFBFRR-UHFFFAOYSA-N
-rxn:4:221121:224619,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCCC6)c(F)c5)ccc43)CC2)CC1,AJDXPQVRMMDRAK-UHFFFAOYSA-N
-rxn:4:221121:224625,CC(C)Oc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)c1OC(C)C,FNOJTBBOTSSSFZ-UHFFFAOYSA-N
-rxn:4:221121:224628,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cnc5OCc5ccccc5)ccc43)CC2)CC1,AOAFIEFQSMKSKR-UHFFFAOYSA-N
-rxn:4:221121:224643,COc1cccc(Oc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)c1,FWZJNCSUAYKMDL-UHFFFAOYSA-N
-rxn:4:221121:224651,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cccc5O[Si](C)(C)C(C)(C)C)ccc43)CC2)CC1,MATGKKXXZXSPJX-UHFFFAOYSA-N
-rxn:4:221121:224663,CN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,BHWHOQROODMHCJ-UHFFFAOYSA-N
-rxn:4:221121:224664,CN1CCN(Cc2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,VOWSFJZEIGTSRW-UHFFFAOYSA-N
-rxn:4:221121:224666,CN1CCN(Cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2F)CC1,MCOYMBGUKJIAKT-UHFFFAOYSA-N
-rxn:4:221121:224668,CCN1CCN(c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,QQSBHIRYQAFCEU-UHFFFAOYSA-N
-rxn:4:221121:224670,CN1CCN(Cc2ccc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,IKGTXCBJUFQEAB-UHFFFAOYSA-N
-rxn:4:221121:224673,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccccc6C#N)c(Cl)c5)ccc43)CC2)CC1,QWXGVAQLNFAJJQ-UHFFFAOYSA-N
-rxn:4:221121:224675,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccc(C#N)cc6)c(Cl)c5)ccc43)CC2)CC1,QLUZRCJZOGCCGL-UHFFFAOYSA-N
-rxn:4:221121:224692,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cccc([N+](=O)[O-])c6)cc5)ccc43)CC2)CC1,MILPNXCQEBRVDE-UHFFFAOYSA-N
-rxn:4:221121:224701,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(F)cc6F)cc5)ccc43)CC2)CC1,JBODMCRVYSOYDL-UHFFFAOYSA-N
-rxn:4:221121:224738,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,BACQUWUEQYNFGV-UHFFFAOYSA-N
-rxn:4:221121:224790,CCCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OC(F)(F)F,KBOMEAYTWSKJAV-UHFFFAOYSA-N
-rxn:4:221121:224797,CCCCOc1c(F)c(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,QYRJAWNBQCZZTQ-UHFFFAOYSA-N
-rxn:4:221121:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,NLWMAIDBUVIQAH-UHFFFAOYSA-N
-rxn:4:221121:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,OBCSKSGHMZULTE-UHFFFAOYSA-N
-rxn:4:221121:224809,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(C(F)(F)F)cc6)c5)ccc43)CC2)CC1,SKLUPVWIAONJPE-UHFFFAOYSA-N
-rxn:4:221121:224812,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6ccnc6)c(C(F)(F)F)c5)ccc43)CC2)CC1,WWNIEZHKQWLPPW-UHFFFAOYSA-N
-rxn:4:221121:224826,CCOC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc1C(F)(F)F,XUKCRTYPNAOLNJ-UHFFFAOYSA-N
-rxn:4:221121:224830,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)nn5C5CCCCO5)ccc43)CC2)CC1,HPFBNLGHQJFFTO-UHFFFAOYSA-N
-rxn:4:221121:224850,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(/C=C/c6ccccc6)cc5)ccc43)CC2)CC1,RUPSVPMCXLOJHE-BQYQJAHWSA-N
-rxn:4:221121:224851,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C=Cc6ccccc6)cc5)ccc43)CC2)CC1,RUPSVPMCXLOJHE-UHFFFAOYSA-N
-rxn:4:221121:224881,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CN6CCCCCC6)c5)ccc43)CC2)CC1,WZFUVUQDSWHLAG-UHFFFAOYSA-N
-rxn:4:221121:224884,CC1CCN(Cc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,XDHQRZKRMBAQKN-UHFFFAOYSA-N
-rxn:4:221121:224897,COc1cccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)c1,BZEMRYBTHVLNGU-UHFFFAOYSA-N
-rxn:4:221121:224900,COc1cc(-c2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,QYFCFZZZYDODJP-UHFFFAOYSA-N
-rxn:4:221121:224903,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1-c1ccccc1,DKWVZYGYPKMXRF-UHFFFAOYSA-N
-rxn:4:221121:224914,COc1c(-c2ccccc2)cccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,OUPFHSNJPTZODP-UHFFFAOYSA-N
-rxn:4:221121:224924,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)Sc5ccccc5S6)ccc43)CC2)CC1,HSGBDHZVVLLLDK-UHFFFAOYSA-N
-rxn:4:221121:224971,CN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,MGDXWHSJAVGMDB-UHFFFAOYSA-N
-rxn:4:221121:224975,CCN1CCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,ZQPLZPZGYXIQPJ-UHFFFAOYSA-N
-rxn:4:221121:224985,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CC6)c(-n6cccn6)c5)ccc43)CC2)CC1,RKYMIHZXFDJSTE-UHFFFAOYSA-N
-rxn:4:221121:225001,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCCC(F)C6)cc5)ccc43)CC2)CC1,OZCQFRJNQBYAAK-UHFFFAOYSA-N
-rxn:4:221121:225004,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCC(=O)CC6)cc5)ccc43)CC2)CC1,LDTHEOPHUATJGK-UHFFFAOYSA-N
-rxn:4:221121:225034,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccc(F)cc6)c5)ccc43)CC2)CC1,OCWITYVIQSBGCE-UHFFFAOYSA-N
-rxn:4:221121:225050,CC1CCN(c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,SANSCRMPBSAEIG-UHFFFAOYSA-N
-rxn:4:221121:225061,CC1CCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,UQIILEZNNIOIOC-UHFFFAOYSA-N
-rxn:4:221121:225069,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6ccccc6)c(F)cc5F)ccc43)CC2)CC1,CQFCGAWGRKWAQW-UHFFFAOYSA-N
-rxn:4:221121:225075,COC(=O)c1cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2cn1,XBXGWBHVOJVFKT-UHFFFAOYSA-N
-rxn:4:221121:225102,CCN(CC)C(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,TVRQLLWEXSNWQG-UHFFFAOYSA-N
-rxn:4:221121:225136,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C#N)c2)cn1,ZJLLCWCYJMCNDM-UHFFFAOYSA-N
-rxn:4:221121:225154,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(-c2cnn(C)c2)c1,KVIRLZZJKNJLKG-UHFFFAOYSA-N
-rxn:4:221121:225166,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCCC6)c(F)c5)ccc43)CC2)CC1,ABRXEXZXQNVIER-UHFFFAOYSA-N
-rxn:4:221121:225188,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(CN6CCOCC6)c5)ccc43)CC2)CC1,FZFFDNYQMXYJEP-UHFFFAOYSA-N
-rxn:4:221121:225189,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CN6C(=O)CCC6=O)c5)ccc43)CC2)CC1,WWLZEWKJWNIODV-UHFFFAOYSA-N
-rxn:4:221121:225192,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OC6CCCCC6)ncc5F)ccc43)CC2)CC1,MPVDBYGJSAIUGY-UHFFFAOYSA-N
-rxn:4:221121:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ZORAOSMIKXROCM-UHFFFAOYSA-N
-rxn:4:221121:225237,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(-c6ccc(F)c(F)c6)c5)ccc43)CC2)CC1,LRIJLRWSFXYDTA-UHFFFAOYSA-N
-rxn:4:221121:225238,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccc(F)cc6)c(Cl)c5)ccc43)CC2)CC1,SKDBTYFJVOAQKJ-UHFFFAOYSA-N
-rxn:4:221121:225240,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(-c6cc(F)cc(F)c6)c5)ccc43)CC2)CC1,GQRQMRKYRXDYFH-UHFFFAOYSA-N
-rxn:4:221121:225245,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6ccc(F)cc6F)c5)ccc43)CC2)CC1,DQSIQQVFSFISBD-UHFFFAOYSA-N
-rxn:4:221121:225252,CCOC(=O)c1cn2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2n1,GTAJEOUGGMRROV-UHFFFAOYSA-N
-rxn:4:221121:225253,CCOC(=O)c1ccc2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn12,GGNJNZPWHAFEBJ-UHFFFAOYSA-N
-rxn:4:221121:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,VXNQCRVEICFINK-UHFFFAOYSA-N
-rxn:4:221121:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,OULLKPGUEBQXGW-UHFFFAOYSA-N
-rxn:4:221121:225311,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)c(C6CC6)cc5Cl)ccc43)CC2)CC1,FDOIFSYAEGPFEU-UHFFFAOYSA-N
-rxn:4:221121:225317,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)nc(-c6cccc(F)n6)c5)ccc43)CC2)CC1,OOVJITFBHYWINW-UHFFFAOYSA-N
-rxn:4:221121:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DKECDOPLHZXJEL-UHFFFAOYSA-N
-rxn:4:221121:225338,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(COCC(F)(F)F)c5)ccc43)CC2)CC1,LTMAICCVVHBZJA-UHFFFAOYSA-N
-rxn:4:221121:225349,CCCOc1c(F)c(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,LUUAZDBEWKMOLO-UHFFFAOYSA-N
-rxn:4:221121:225363,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CC(F)(F)C6)nc5)ccc43)CC2)CC1,HFEKWUJVIIEOBS-UHFFFAOYSA-N
-rxn:4:221121:225367,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(N6CCC(F)(F)CC6)nc5)ccc43)CC2)CC1,KHYWHZYRIGPDQI-UHFFFAOYSA-N
-rxn:4:221121:225398,Cc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,WFOXKTNIGOUVSL-UHFFFAOYSA-N
-rxn:4:221121:225423,CN(C)CCCCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,HQZOJPHEBGZJDD-UHFFFAOYSA-N
-rxn:4:221121:225426,CCN(CC)C(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,IRMBSXYZKDEVPN-UHFFFAOYSA-N
-rxn:4:221121:225451,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(SC6CCCCC6)cc5)ccc43)CC2)CC1,DGDSAPDYAXXFDS-UHFFFAOYSA-N
-rxn:4:221121:225456,CN1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,PMJZZELMSOIGBR-UHFFFAOYSA-N
-rxn:4:221121:225458,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(-c2ccccn2)c1,ADWGSMDSOOTJBU-UHFFFAOYSA-N
-rxn:4:221121:225481,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccccc6)c5F)ccc43)CC2)CC1,SNSMFKIQIGJJHI-UHFFFAOYSA-N
-rxn:4:221121:225485,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)c(Cl)c5)ccc43)CC2)CC1,FOYJVFJZXBAIQA-UHFFFAOYSA-N
-rxn:4:221121:225488,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)ccc5-c5ccccc5)ccc43)CC2)CC1,OHYNVPWLSIIJRJ-UHFFFAOYSA-N
-rxn:4:221121:225497,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc(F)cc6)c5)ccc43)CC2)CC1,DPNQGRCBLXNITL-UHFFFAOYSA-N
-rxn:4:221121:225501,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cccc(F)c6)c5)ccc43)CC2)CC1,MHFQPMMEMCQHES-UHFFFAOYSA-N
-rxn:4:221121:225502,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)cc5-c5ccccc5)ccc43)CC2)CC1,AJZJHKZNGWSQPP-UHFFFAOYSA-N
-rxn:4:221121:225509,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(C7CC7)nn(C)c6c5)ccc43)CC2)CC1,ZGTXFHFXYFAXAW-UHFFFAOYSA-N
-rxn:4:221121:225514,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc6c5OCC5(CC5)CO6)ccc43)CC2)CC1,WEHFFODSPHEXOU-UHFFFAOYSA-N
-rxn:4:221121:225534,CCN(CC)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,VHRPUZLOCAXMQW-UHFFFAOYSA-N
-rxn:4:221121:225550,CCCCC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,KKRHKPKOTWRFEA-UHFFFAOYSA-N
-rxn:4:221121:225582,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(Oc6ccccc6)c5)ccc43)CC2)CC1,JCAXAOQVONBSQE-UHFFFAOYSA-N
-rxn:4:221121:225586,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)nc5)ccc43)CC2)CC1,IHFOYHBQGYVZRB-UHFFFAOYSA-N
-rxn:4:221121:225591,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(CN6CCCC6)ccc5F)ccc43)CC2)CC1,DWXWRMQXPWYPOB-UHFFFAOYSA-N
-rxn:4:221121:225593,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(CN6CCCC6)c5)ccc43)CC2)CC1,YGGCOSBYURDSSR-UHFFFAOYSA-N
-rxn:4:221121:225601,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6(C#N)CCC6)cc5F)ccc43)CC2)CC1,UQVJVISOULNPAH-UHFFFAOYSA-N
-rxn:4:221121:225609,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccccn6)c5)ccc43)CC2)CC1,OPODGBZUNZTKPO-UHFFFAOYSA-N
-rxn:4:221121:225614,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6cccnc6)cc5)ccc43)CC2)CC1,LTLHTOIDOSBXFS-UHFFFAOYSA-N
-rxn:4:221121:225615,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccncc6)cc5)ccc43)CC2)CC1,WIFFZTHBMLGABU-UHFFFAOYSA-N
-rxn:4:221121:225624,COc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)s2)cc1,AGILQNXRWQVSJC-UHFFFAOYSA-N
-rxn:4:221121:225632,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(N6CCN(C)CC6)c5)ccc43)CC2)CC1,CIRRHEOKQWZSDE-UHFFFAOYSA-N
-rxn:4:221121:225646,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C)c2)cn1,QQHALMSXEUZDPS-UHFFFAOYSA-N
-rxn:4:221121:225666,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(N6CCCCC6)c5)ccc43)CC2)CC1,GBDWFWUGCYGIJB-UHFFFAOYSA-N
-rxn:4:221121:225681,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(-c6ccccc6F)c5)ccc43)CC2)CC1,RLQAPNUQLIAUQS-UHFFFAOYSA-N
-rxn:4:221121:225689,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6F)nc5)ccc43)CC2)CC1,PLOZQRADIOZRSC-UHFFFAOYSA-N
-rxn:4:221121:225695,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6ccc(Cl)cc6)c5)ccc43)CC2)CC1,JHAXKSNWUFNROF-UHFFFAOYSA-N
-rxn:4:221121:225697,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6ccc(F)cc6)c5)ccc43)CC2)CC1,CFPANHMVWAHVTO-UHFFFAOYSA-N
-rxn:4:221121:225704,CCn1c(C)nc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cc21,WPSOZPLRJZLMLL-UHFFFAOYSA-N
-rxn:4:221121:225714,CCOCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,NJBDKAQPHJXJBW-UHFFFAOYSA-N
-rxn:4:221121:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DORNVWUXAUNBSQ-UHFFFAOYSA-N
-rxn:4:221121:225770,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(OCC6CC6)cc5F)ccc43)CC2)CC1,GQQIWSXNMJDGRV-UHFFFAOYSA-N
-rxn:4:221121:225777,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccccc6C#N)c5)ccc43)CC2)CC1,LSNHHBPWQVEALV-UHFFFAOYSA-N
-rxn:4:221121:225780,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(C#N)cc6)c5)ccc43)CC2)CC1,UBJNNNBFSNUYDZ-UHFFFAOYSA-N
-rxn:4:221121:225782,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6ccnc6)c(C#N)c5)ccc43)CC2)CC1,OLYSFFAKMSXPCR-UHFFFAOYSA-N
-rxn:4:221121:225787,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(Cc6cccc(F)c6)c5)ccc43)CC2)CC1,SKANDVKTOPWXDY-UHFFFAOYSA-N
-rxn:4:221121:225790,CCc1nc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)no1,YFHLFDCWZIFNQP-UHFFFAOYSA-N
-rxn:4:221121:225800,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCSC6)cc5)ccc43)CC2)CC1,JFCNUAWKLWQCPQ-UHFFFAOYSA-N
-rxn:4:221121:225841,Cc1cn(-c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cn1,KYHDSUWVIAJSGD-UHFFFAOYSA-N
-rxn:4:221121:225843,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)cn1,WUFSMFICKHSAOW-UHFFFAOYSA-N
-rxn:4:221121:225847,Cc1cc(F)ccc1-n1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,UMADRYYHWAAZKD-UHFFFAOYSA-N
-rxn:4:221121:225848,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(Cl)c2)cn1,IHDRYDJLJWFOJU-UHFFFAOYSA-N
-rxn:4:221121:225851,Cc1nccn1-c1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,RMGCLZVUDXAXMZ-UHFFFAOYSA-N
-rxn:4:221121:225860,Cc1nccn1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)c1,JUTKTTOJCQMIST-UHFFFAOYSA-N
-rxn:4:221121:225862,Cc1cnn(-c2cc(F)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,RFKXNGUTIRPZIA-UHFFFAOYSA-N
-rxn:4:221121:225885,CCCn1nnc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cc21,YKBNOVDOJOEAIW-UHFFFAOYSA-N
-rxn:4:221121:225888,Cc1nc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c(F)c2n1C,UPBAZNWBENDWGR-UHFFFAOYSA-N
-rxn:4:221121:225912,CCCOc1c(F)cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,CLOGUXBPSOKZDW-UHFFFAOYSA-N
-rxn:4:221121:225913,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)(F)F,URXIRXXZTBJYBZ-UHFFFAOYSA-N
-rxn:4:221121:225915,CCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C(F)(F)F,DZAKBPONMAXFHK-UHFFFAOYSA-N
-rxn:4:221121:225932,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(C)C)c(C(F)(F)F)c5)ccc43)CC2)CC1,FLDIXPNSMDRMSD-UHFFFAOYSA-N
-rxn:4:221121:225943,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCOCC6)s5)ccc43)CC2)CC1,KMQJJGHZPLLYEU-UHFFFAOYSA-N
-rxn:4:221121:225953,Cc1cnn(-c2cc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)c1,FDUNDWBZQREQRS-UHFFFAOYSA-N
-rxn:4:221121:225956,Cc1cnn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cn2)c1,UCTWHZDLNWZPQH-UHFFFAOYSA-N
-rxn:4:221121:225961,Cc1cn(-c2cc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)cn1,LBNDPEARSRGTSB-UHFFFAOYSA-N
-rxn:4:221121:225962,Cc1ccn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cn2)n1,LYBXQPJIXKZDSX-UHFFFAOYSA-N
-rxn:4:221121:225968,Cc1cn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cn2)cn1,ODYYRYNOQIQCFB-UHFFFAOYSA-N
-rxn:4:221121:225971,Cc1ccn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cnc2Cl)n1,XZIUTMMHEWTIAQ-UHFFFAOYSA-N
-rxn:4:221121:225974,Cc1nnc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)o1,OFQPQFHWMTVQIH-UHFFFAOYSA-N
-rxn:4:221121:225980,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(N6CCOCC6)ncc5F)ccc43)CC2)CC1,CWJCFAKHICGUNR-UHFFFAOYSA-N
-rxn:4:221121:225981,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6cc(F)cc(F)c6)c5)ccc43)CC2)CC1,PUTRIWUJEWNVPI-UHFFFAOYSA-N
-rxn:4:221121:225983,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(F)c(F)c6)c5)ccc43)CC2)CC1,DGOVRHXISSLZGC-UHFFFAOYSA-N
-rxn:4:221121:225997,CCOc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)(F)F,UNPYMABAUHJVHZ-UHFFFAOYSA-N
-rxn:4:221121:226028,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(F)(F)F)c(C#N)c5F)ccc43)CC2)CC1,CKEFGACNUPGHJS-UHFFFAOYSA-N
-rxn:4:221121:226073,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(C#N)ccc6c5)ccc43)CC2)CC1,JMDYFBYXLRULLO-UHFFFAOYSA-N
-rxn:4:221121:226114,CCCC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)c1,CFFXZEUNEVXERP-UHFFFAOYSA-N
-rxn:4:221121:226117,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCC(C)C,ZVSGUJHFVONIAG-UHFFFAOYSA-N
-rxn:4:221121:226127,CCOc1ccc(C(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,OQWKKWQAIKIHDV-UHFFFAOYSA-N
-rxn:4:221121:226148,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C#C[Si](C)(C)C)c5)ccc43)CC2)CC1,SBUJQLZSTJCNEQ-UHFFFAOYSA-N
-rxn:4:221121:226193,Cc1ccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,IZQZCPISHACXDX-UHFFFAOYSA-N
-rxn:4:221121:226206,COc1cc2c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cccc2cn1,LQDAUNGQYJORAE-UHFFFAOYSA-N
-rxn:4:221121:226220,Cc1cc(Cl)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2n1,GJAQJHKJEKPWBC-UHFFFAOYSA-N
-rxn:4:221121:226221,Cc1c(Cl)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc2cccnc12,JDHWJWPIVKIPKG-UHFFFAOYSA-N
-rxn:4:221121:226247,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(OCC)c1,GTRQCVWYEZRAFG-UHFFFAOYSA-N
-rxn:4:221121:226280,CC(C)Oc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C#N,AGRNZPGOAVLTEC-UHFFFAOYSA-N
-rxn:4:221121:226306,CCOC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,DEWRIQSEJLZZGQ-UHFFFAOYSA-N
-rxn:4:221121:226318,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CC6)nc(N(C)C)c5)ccc43)CC2)CC1,AMOJBCINAVPXQU-UHFFFAOYSA-N
-rxn:4:221121:226319,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCC6)cc5)ccc43)CC2)CC1,JEKXBGGXTSTSQA-UHFFFAOYSA-N
-rxn:4:221121:226325,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(C)(C)C#N)cc5F)ccc43)CC2)CC1,GUBYTPLECZYBMM-UHFFFAOYSA-N
-rxn:4:221121:226327,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6(C#N)CC6)cc5Cl)ccc43)CC2)CC1,MTVVLETYLYVMLE-UHFFFAOYSA-N
-rxn:4:221121:226328,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(C)(C)C#N)c(F)c5)ccc43)CC2)CC1,KTYOIBDFCMLLGP-UHFFFAOYSA-N
-rxn:4:221121:226330,CC(c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1)N1CCCC1,GYBJXSHVDYQDEC-UHFFFAOYSA-N
-rxn:4:221121:226395,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(N6CCCCC6)c5)ccc43)CC2)CC1,IIUCPRJZOOTDNN-UHFFFAOYSA-N
-rxn:4:221121:226398,Cc1nccn1-c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,MJFVDZHEWWECKW-UHFFFAOYSA-N
-rxn:4:221121:226409,Cc1nn(-c2ccccc2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,CEARMVREFLMWCC-UHFFFAOYSA-N
-rxn:4:221121:226424,CC1CCCN(c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)C1,IYBAQJWHXATWEI-UHFFFAOYSA-N
-rxn:4:221121:226428,CC1CCCCN1c1csc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,XFKSOHZUMICPKD-UHFFFAOYSA-N
-rxn:4:221121:226433,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(-c2cncs2)c1,QEJGYEMUROODEK-UHFFFAOYSA-N
-rxn:4:221121:226435,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6cccc6)cc5Cl)ccc43)CC2)CC1,QSPYSMJBHRNONL-UHFFFAOYSA-N
-rxn:4:221121:226441,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCC6)cc5F)ccc43)CC2)CC1,SWISOAIJKLEAPM-UHFFFAOYSA-N
-rxn:4:221121:226443,Cc1nc(-c2cccs2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DRGTYSONPYOWAE-UHFFFAOYSA-N
-rxn:4:221121:226451,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(Cl)cc6)s5)ccc43)CC2)CC1,WBDWOTZEHWHQLO-UHFFFAOYSA-N
-rxn:4:221121:226455,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6cccc(F)c6)cs5)ccc43)CC2)CC1,QIHQIEJHDBKUGL-UHFFFAOYSA-N
-rxn:4:221121:226463,CC(=O)n1ncc2c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cccc21,XUNVYPQVPJHJGN-UHFFFAOYSA-N
-rxn:4:221121:226465,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)n(C)c(=O)n6C)ccc43)CC2)CC1,FNHFXFAIVSSETM-UHFFFAOYSA-N
-rxn:4:221121:226480,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)n1,GLRQQDHSJIJVBV-UHFFFAOYSA-N
-rxn:4:221121:226487,COC(=O)COc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,WIHNISXMMILISK-UHFFFAOYSA-N
-rxn:4:221121:226501,CCOC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc1C,CYUDAHTYUKJZHR-UHFFFAOYSA-N
-rxn:4:221121:226525,CCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,CVFAYPYCJYVJFJ-UHFFFAOYSA-N
-rxn:4:221121:226532,CCOC(=O)c1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,IHIJYRBOTBNZSX-UHFFFAOYSA-N
-rxn:4:221121:226550,CCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,ANHUVHVNFAIHHK-UHFFFAOYSA-N
-rxn:4:221121:226552,CCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,YUNBOZZFRGBZJL-UHFFFAOYSA-N
-rxn:4:221121:226555,CCCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cc1F,IDJMVEMUPQYDCD-UHFFFAOYSA-N
-rxn:4:221121:226570,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cn6cncn6)cc5)ccc43)CC2)CC1,ACZJNCOTDAMWMX-UHFFFAOYSA-N
-rxn:4:221121:226575,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N(C)C)c(F)c5)ccc43)CC2)CC1,XWSMVXVYJNGKRD-UHFFFAOYSA-N
-rxn:4:221121:226585,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(=O)N(C)C)ccc5Cl)ccc43)CC2)CC1,YCZCFRPNCXJHEB-UHFFFAOYSA-N
-rxn:4:221121:226593,CC(C)Oc1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,AFRNUDOOAWZVPY-UHFFFAOYSA-N
-rxn:4:221121:226596,CC(C)Oc1c(F)ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,LZRNRKOIVNGZAY-UHFFFAOYSA-N
-rxn:4:221121:226600,CCOc1c(F)c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,FBBGUUPBICYZLP-UHFFFAOYSA-N
-rxn:4:221121:226605,CC(C)Oc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,NELLJQSLXWQHEV-UHFFFAOYSA-N
-rxn:4:221121:226607,CC(C)Oc1cc(Cl)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,QTLFVWGKVSPEHQ-UHFFFAOYSA-N
-rxn:4:221121:226610,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C(F)(F)F)c1,GUSQASPDOZIWDC-UHFFFAOYSA-N
-rxn:4:221121:226615,Cc1cnn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccn2)c1,ZQNIGRSTQPDMAH-UHFFFAOYSA-N
-rxn:4:221121:226620,Cc1ccn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccn2)n1,KGXIDNRBBGXMKR-UHFFFAOYSA-N
-rxn:4:221121:226621,Cc1cc(-n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)ccn1,HTCWMKXLTOXZLX-UHFFFAOYSA-N
-rxn:4:221121:226629,Cc1nccn1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,IDSDSLULEOVBOT-UHFFFAOYSA-N
-rxn:4:221121:226630,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6cnn(C)c6)c5)ccc43)CC2)CC1,YCQZMGDSZNPZPW-UHFFFAOYSA-N
-rxn:4:221121:226641,Cc1cnn(-c2cncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,FGLRKKIFYPSRGP-UHFFFAOYSA-N
-rxn:4:221121:226642,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)cn1,KXKWQUZLJBGQPV-UHFFFAOYSA-N
-rxn:4:221121:226646,Cc1nnc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)o1,OJGHYUJZQSUTLL-UHFFFAOYSA-N
-rxn:4:221121:226647,Cc1nnc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)o1,KNQXROIXZQLPOX-UHFFFAOYSA-N
-rxn:4:221121:226653,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(F)cc6)c5)ccc43)CC2)CC1,GWLJVTZFUQQXCT-UHFFFAOYSA-N
-rxn:4:221121:226661,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(N6CCN(C)CC6)cs5)ccc43)CC2)CC1,TTYMTEHWSWFSDI-UHFFFAOYSA-N
-rxn:4:221121:226662,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCN(C)CC6)s5)ccc43)CC2)CC1,LWNFQXJPRRBPON-UHFFFAOYSA-N
-rxn:4:221121:226676,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6cccn6)cc5F)ccc43)CC2)CC1,XHWIDWLBVYOXLK-UHFFFAOYSA-N
-rxn:4:221121:226681,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6ccnc6)c(Cl)c5)ccc43)CC2)CC1,LYYOBISYSYQGCH-UHFFFAOYSA-N
-rxn:4:221121:226687,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6cccn6)c(F)c5)ccc43)CC2)CC1,LDTZTGSBYVHPCL-UHFFFAOYSA-N
-rxn:4:221121:226689,Cc1nc(-c2cncs2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,PAKOIBNHDWZMOJ-UHFFFAOYSA-N
-rxn:4:221121:226690,Cc1nc(-c2cscn2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DHSAJDIFVJAIQR-UHFFFAOYSA-N
-rxn:4:221121:226732,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C#N)c(C(F)(F)F)c5)ccc43)CC2)CC1,HZQZCDQMXJGOEE-UHFFFAOYSA-N
-rxn:4:221121:226734,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(S(=O)(=O)N(C)C)c5)ccc43)CC2)CC1,UKFVQNOGOVWOTQ-UHFFFAOYSA-N
-rxn:4:221121:226745,CCc1ncc(C(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,HGBMRHSVCLHAGP-UHFFFAOYSA-N
-rxn:4:221121:226748,COc1cc(C(F)(F)F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,VPOHGOPENWLRQE-UHFFFAOYSA-N
-rxn:4:221121:226787,Cc1nc(-n2ccnc2)ncc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ROUMUCDJWYDMNS-UHFFFAOYSA-N
-rxn:4:221121:226790,Cc1ccn(-c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)n1,ZHPFETDMIDMRGG-UHFFFAOYSA-N
-rxn:4:221121:226796,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-n6ccnc6)ncc5F)ccc43)CC2)CC1,UKAILDZBDIVGGR-UHFFFAOYSA-N
-rxn:4:221121:226823,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6cncs6)cc5F)ccc43)CC2)CC1,HDTLISDZQMXHKZ-UHFFFAOYSA-N
-rxn:4:221121:226850,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C(F)(F)F)n1,HYVMXWJASYHNRI-UHFFFAOYSA-N
-rxn:4:221121:226859,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(F)(F)F)cc5Cl)ccc43)CC2)CC1,JJKRXMWIWMUKSB-UHFFFAOYSA-N
-rxn:4:221121:226863,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(F)(F)F)cc5F)ccc43)CC2)CC1,UQLPCOVWWBLYLJ-UHFFFAOYSA-N
-rxn:4:221121:226933,Cc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc2ccccc12,TUXGVRBCKSPXNQ-UHFFFAOYSA-N
-rxn:4:221121:226935,Cc1cncc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,NGWQEKBJWRCETB-UHFFFAOYSA-N
-rxn:4:221121:226942,Cc1cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2cn1,MYMWEWIITPUCOJ-UHFFFAOYSA-N
-rxn:4:221121:226950,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc2cccnc12,RVFRYPJBTBIBLH-UHFFFAOYSA-N
-rxn:4:221121:227028,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C6(C#N)CC6)c5)ccc43)CC2)CC1,YQWWBQUHCJMYKR-UHFFFAOYSA-N
-rxn:4:221121:227036,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CC6)ccc5C#N)ccc43)CC2)CC1,MEPJBXKOWYOONN-UHFFFAOYSA-N
-rxn:4:221121:227118,Cc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)cc1C1CC1,WIXKRBNXQKEXIW-UHFFFAOYSA-N
-rxn:4:221121:227142,COc1ccc2sc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2c1,JNAFKUUBODSACJ-UHFFFAOYSA-N
-rxn:4:221121:227161,Cc1c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2nn1C,UYHDKPFTJJIUKM-UHFFFAOYSA-N
-rxn:4:221121:227164,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6ccc(F)cc6c5)ccc43)CC2)CC1,AJHTYEMJEGXFOF-UHFFFAOYSA-N
-rxn:4:221121:227165,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(Cl)cc6n5C)ccc43)CC2)CC1,PJRJOAWLZRFRNL-UHFFFAOYSA-N
-rxn:4:221121:227166,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)OCCN6C)ccc43)CC2)CC1,FLOVCTOMERZWJJ-UHFFFAOYSA-N
-rxn:4:221121:227183,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)CN(C)C6=O)ccc43)CC2)CC1,WHMIQPKCJAPJMT-UHFFFAOYSA-N
-rxn:4:221121:227219,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCCF)cc5)ccc43)CC2)CC1,GWWXIURKQSFFCE-UHFFFAOYSA-N
-rxn:4:221121:227228,CC(C)COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,CIMVKSSOISXIOV-UHFFFAOYSA-N
-rxn:4:221121:227229,CCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C#N,GITRADUESFWFTQ-UHFFFAOYSA-N
-rxn:4:221121:227244,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OC,KDJFSRUKUQUAGM-UHFFFAOYSA-N
-rxn:4:221121:227256,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(OC)c1,DCGFNHHUHFFWDT-UHFFFAOYSA-N
-rxn:4:221121:227267,CCOCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,ZOJSWAFRQQHWMJ-UHFFFAOYSA-N
-rxn:4:221121:227270,CCOCc1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GPRNBKXSWLRRCL-UHFFFAOYSA-N
-rxn:4:221121:227273,CCOc1c(OC)cccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,MDKJAKNJUAUOJY-UHFFFAOYSA-N
-rxn:4:221121:227277,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(C)C)c(C#N)c5)ccc43)CC2)CC1,CHXIBDARUPXZDD-UHFFFAOYSA-N
-rxn:4:221121:227281,CC(C)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C#N)n1,GCUDNXGGVCSHSE-UHFFFAOYSA-N
-rxn:4:221121:227287,COc1nc(C(C)C)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,GFHVWEBSGOGVQK-UHFFFAOYSA-N
-rxn:4:221121:227292,CN(C)Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,NAKFNWBJTDRPDJ-UHFFFAOYSA-N
-rxn:4:221121:227343,COC(=O)c1cc(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GTHZXMATLQQPQT-UHFFFAOYSA-N
-rxn:4:221121:227362,CCOc1cc(C)cc(F)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,AJAZODWQSAXJIV-UHFFFAOYSA-N
-rxn:4:221121:227367,CCOc1cc(Cl)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,IXNXFYCAZHXSDQ-UHFFFAOYSA-N
-rxn:4:221121:227387,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(N6CCCC6)c5)ccc43)CC2)CC1,BDTRGXMSBYEMEI-UHFFFAOYSA-N
-rxn:4:221121:227448,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6COC6)c(F)c5)ccc43)CC2)CC1,BBCBLUQSAXBOTB-UHFFFAOYSA-N
-rxn:4:221121:227455,CCn1cnc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cnc21,FFOXUIRXCUDCAK-UHFFFAOYSA-N
-rxn:4:221121:227456,CSc1nc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2s1,YHHVKYFGWLMIOE-UHFFFAOYSA-N
-rxn:4:221121:227462,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6c(Cl)nccc6c5)ccc43)CC2)CC1,YZLPVKCAKAOFAQ-UHFFFAOYSA-N
-rxn:4:221121:227466,COCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,VLQUFZNIXDMIJE-UHFFFAOYSA-N
-rxn:4:221121:227475,CCOC(=O)c1cncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,BJOBVWCQTRHQOP-UHFFFAOYSA-N
-rxn:4:221121:227484,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCC(F)F)c5)ccc43)CC2)CC1,LFWMMZFRJUUVMS-UHFFFAOYSA-N
-rxn:4:221121:227500,CCN(C)c1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,IJLKVZFYPIFAOW-UHFFFAOYSA-N
-rxn:4:221121:227506,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(/C=C/[N+](=O)[O-])c5)ccc43)CC2)CC1,GPATYSDTIUPTHP-JXMROGBWSA-N
-rxn:4:221121:227522,COC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)n1,HPBFRYHPNSNSRW-UHFFFAOYSA-N
-rxn:4:221121:227532,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,AXKORFZIVNDYFR-UHFFFAOYSA-N
-rxn:4:221121:227569,COc1ccc(F)c(OC)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,OSTSDZRKSXJPJM-UHFFFAOYSA-N
-rxn:4:221121:227588,COc1cc(F)cc(OC)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,FTIIETVDXCVKAV-UHFFFAOYSA-N
-rxn:4:221121:227619,Cc1cnn(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,MDDBTTCDPKAVGH-UHFFFAOYSA-N
-rxn:4:221121:227621,Cc1nccn1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,NMNHPLFGNKWRAI-UHFFFAOYSA-N
-rxn:4:221121:227622,Cc1ccn(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)n1,OVGWDXFLHZZFNT-UHFFFAOYSA-N
-rxn:4:221121:227623,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)s2)n1,PJMLBZAVGFSFKM-UHFFFAOYSA-N
-rxn:4:221121:227629,Cc1nn(-c2ccsc2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,AZTHMVBGCSGKBP-UHFFFAOYSA-N
-rxn:4:221121:227631,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C(C)(C)C)nc5Cl)ccc43)CC2)CC1,JRJSYONWSKGXHW-UHFFFAOYSA-N
-rxn:4:221121:227656,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(N6CCOCC6)cs5)ccc43)CC2)CC1,HKAVTJNLIJNPAM-UHFFFAOYSA-N
-rxn:4:221121:227658,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(N(C)C)cc5Cl)ccc43)CC2)CC1,VBJIVHRRJDSVHC-UHFFFAOYSA-N
-rxn:4:221121:227724,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OC(F)F)ccc5F)ccc43)CC2)CC1,CKYLGLFQNNRUAA-UHFFFAOYSA-N
-rxn:4:221121:227765,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccn(CCC(F)(F)F)n5)ccc43)CC2)CC1,YOADZAPHKNKFAQ-UHFFFAOYSA-N
-rxn:4:221121:227792,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C(F)(F)F)c5F)ccc43)CC2)CC1,DGUOFFCCKCOJIX-UHFFFAOYSA-N
-rxn:4:221121:227818,CCC(C)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,FDBRHFVMAKEEEQ-UHFFFAOYSA-N
-rxn:4:221121:227834,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C1CC1,GSGSLKKOVRWKCD-UHFFFAOYSA-N
-rxn:4:221121:227859,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6ccn(C)c6c5)ccc43)CC2)CC1,VILWVMQRAPKCBV-UHFFFAOYSA-N
-rxn:4:221121:227865,Cc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)sc2ccccc12,RPCDSIYXAIACDR-UHFFFAOYSA-N
-rxn:4:221121:227892,CN(C)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ZKJWRFDMLJNWNW-UHFFFAOYSA-N
-rxn:4:221121:227894,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(/C=C/C#N)c5)ccc43)CC2)CC1,UYYSAYCYYBPLPS-HWKANZROSA-N
-rxn:4:221121:227902,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C#N,CTUPJLCGGVECNR-UHFFFAOYSA-N
-rxn:4:221121:227935,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OC,VFTJWDKYLVKXMW-UHFFFAOYSA-N
-rxn:4:221121:227940,CCc1cc(SC)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GKJISPVGZAJOJO-UHFFFAOYSA-N
-rxn:4:221121:227945,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1N(C)C,OGCQDOOXHXKOHX-UHFFFAOYSA-N
-rxn:4:221121:227946,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(C)(C)C)nc5)ccc43)CC2)CC1,ZXAFAHPJHJSABS-UHFFFAOYSA-N
-rxn:4:221121:227950,Cc1ccc(N(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,KHFWONIJKRKKRA-UHFFFAOYSA-N
-rxn:4:221121:227963,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C(C)(C)C)c5)ccc43)CC2)CC1,RJLVJQJCQICDKE-UHFFFAOYSA-N
-rxn:4:221121:228000,COc1cc(C)c(C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,XEZRTQPXTCAZHM-UHFFFAOYSA-N
-rxn:4:221121:228029,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cn(C)nc6c5)ccc43)CC2)CC1,PPQUHAXRPRPOHR-UHFFFAOYSA-N
-rxn:4:221121:228045,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6ccn(C)c6c5)ccc43)CC2)CC1,FNBORGPYDOTVFA-UHFFFAOYSA-N
-rxn:4:221121:228048,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6c(ccn6C)c5)ccc43)CC2)CC1,QYDPAEUTOIKSAN-UHFFFAOYSA-N
-rxn:4:221121:228067,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(F)cc6s5)ccc43)CC2)CC1,IOKGRWRYMUCSTC-UHFFFAOYSA-N
-rxn:4:221121:228075,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(F)cccc6s5)ccc43)CC2)CC1,GUUVKUDAOVOMLY-UHFFFAOYSA-N
-rxn:4:221121:228080,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(Cl)cccc6s5)ccc43)CC2)CC1,WEHXTVRRYNGGKH-UHFFFAOYSA-N
-rxn:4:221121:228099,CCN(C)c1cncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,NGCBPLTZENWNTE-UHFFFAOYSA-N
-rxn:4:221121:228158,CCOc1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,LASJZKPWZNXGJV-UHFFFAOYSA-N
-rxn:4:221121:228171,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,YMSRDLNHONNTQN-UHFFFAOYSA-N
-rxn:4:221121:228178,COCc1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,UNTQLLKOICNGSE-UHFFFAOYSA-N
-rxn:4:221121:228179,COCc1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,PKQXKBOPIOEYHB-UHFFFAOYSA-N
-rxn:4:221121:228206,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(N(C)C)c5)ccc43)CC2)CC1,SIRGAYKJJCNHJW-UHFFFAOYSA-N
-rxn:4:221121:228210,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCC6)s5)ccc43)CC2)CC1,QGFLUEDSHHTTJI-UHFFFAOYSA-N
-rxn:4:221121:228227,CC(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)n1,RUJGJQDDNQJCQD-UHFFFAOYSA-N
-rxn:4:221121:228272,COc1c(C)ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,BIXLQFIUXFJXMQ-UHFFFAOYSA-N
-rxn:4:221121:228326,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(OC)n1,WOFJFXPKNHVBEQ-UHFFFAOYSA-N
-rxn:4:221121:228377,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,JLGZFRPKJZTGDF-UHFFFAOYSA-N
-rxn:4:221121:228379,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)cc5C#N)ccc43)CC2)CC1,NPVAWCHYSQPYCP-UHFFFAOYSA-N
-rxn:4:221121:228397,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)c1F,DEEWDABALNWMEE-UHFFFAOYSA-N
-rxn:4:221121:228399,COc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,OTLSWYRGZIYHLD-UHFFFAOYSA-N
-rxn:4:221121:228452,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(Cl)ncnc6s5)ccc43)CC2)CC1,HWWWJLWXTOEXPL-UHFFFAOYSA-N
-rxn:4:221121:228481,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C(F)(F)F)c5)ccc43)CC2)CC1,VVSGKCKVALDIMZ-UHFFFAOYSA-N
-rxn:4:221121:228483,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc([N+](=O)[O-])cc5F)ccc43)CC2)CC1,WADBVTVOWJWAJW-UHFFFAOYSA-N
-rxn:4:221121:228493,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)c(F)c5F)ccc43)CC2)CC1,MOIONJPQFJQIQD-UHFFFAOYSA-N
-rxn:4:221121:228508,CC(C)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,IKJKNKMMVGRVNT-UHFFFAOYSA-N
-rxn:4:221121:228518,CC#Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,SOGOQMSDWXFMJR-UHFFFAOYSA-N
-rxn:4:221121:228545,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CC#N)c5)ccc43)CC2)CC1,JSXZDYLQLQFQFE-UHFFFAOYSA-N
-rxn:4:221121:228629,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCC6)s5)ccc43)CC2)CC1,KQZSZYGVAAIGQD-UHFFFAOYSA-N
-rxn:4:221121:228693,CCN(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,SVGNYQDZACWBMC-UHFFFAOYSA-N
-rxn:4:221121:228711,Cc1cnc(C#N)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HXQRIRXICWEYRU-UHFFFAOYSA-N
-rxn:4:221121:228778,COc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,VESWFZQQIWCHJG-UHFFFAOYSA-N
-rxn:4:221121:228779,COc1ccc(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,YUGUKIPZYNJDCF-UHFFFAOYSA-N
-rxn:4:221121:228784,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,JKSXACYMQPPRCT-UHFFFAOYSA-N
-rxn:4:221121:228787,COc1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,MITYUTBWQALXLE-UHFFFAOYSA-N
-rxn:4:221121:228790,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(F)F)c5)ccc43)CC2)CC1,DPZLYPRAOLDXTP-UHFFFAOYSA-N
-rxn:4:221121:228813,CSc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1Cl,WTRBQROARANLMD-UHFFFAOYSA-N
-rxn:4:221121:228874,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)cnc5Cl)ccc43)CC2)CC1,PJDSTPIRIZGSKU-UHFFFAOYSA-N
-rxn:4:221121:228885,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C#N)c(F)c5)ccc43)CC2)CC1,NOOKXJYZSHYROQ-UHFFFAOYSA-N
-rxn:4:221121:228887,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)ncc5Cl)ccc43)CC2)CC1,AUFHMDGCJVIIDA-UHFFFAOYSA-N
-rxn:4:221121:228912,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc1Cl,ZNRVAGQGKBEAEW-UHFFFAOYSA-N
-rxn:4:221121:228932,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)n1,NRYPPYOOBZECAG-UHFFFAOYSA-N
-rxn:4:221121:228941,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)c(F)c5)ccc43)CC2)CC1,LCUPDJRPOWSGEK-UHFFFAOYSA-N
-rxn:4:221121:228965,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc([N+](=O)[O-])nc5)ccc43)CC2)CC1,VQGQGDTZKIHWCL-UHFFFAOYSA-N
-rxn:4:221121:228966,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc([N+](=O)[O-])c5)ccc43)CC2)CC1,SJEQBIQLJLBABV-UHFFFAOYSA-N
-rxn:4:221121:229095,Cc1nc(F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,LXUOTNYLLSNGJA-UHFFFAOYSA-N
-rxn:4:221121:229118,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)n1,SIAGGHUQWPDGKW-UHFFFAOYSA-N
-rxn:4:221121:229163,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnn1,GUSJOPYPXWWJTL-UHFFFAOYSA-N
-rxn:4:221121:229171,Cc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)n1,OSJVAQHXYNKZDQ-UHFFFAOYSA-N
-rxn:4:221121:229197,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(C(F)F)c5)ccc43)CC2)CC1,PRKPXRDCWGJAHG-UHFFFAOYSA-N
-rxn:4:221121:229210,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,SFIJKDUBSDMYPI-UHFFFAOYSA-N
-rxn:4:221121:229230,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)cs5)ccc43)CC2)CC1,BQSJVTWGPCSFKM-UHFFFAOYSA-N
-rxn:4:221121:229254,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccncc5Cl)ccc43)CC2)CC1,ATUUIEXMZXYCHG-UHFFFAOYSA-N
-rxn:4:221121:229270,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C#N)s5)ccc43)CC2)CC1,WRLOFNLRYXCTSZ-UHFFFAOYSA-N
-rxn:4:221163:223753,COc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,FIGSITNBRJDZHB-UHFFFAOYSA-N
-rxn:4:221164:222538,COc1ccnc(N2CCCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)n1,PBDVNZYZSYYMFA-UHFFFAOYSA-N
-rxn:4:221169:224819,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)C2)cn1,OPVINOBERVPUMH-UHFFFAOYSA-N
-rxn:4:221174:223504,Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cn2)C1,HKQUQZNYOSHXSM-UHFFFAOYSA-N
-rxn:4:221175:228255,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(F)c4OC)cn3)C2)C(=O)C1=O,MZLHOIOPTBNHNB-UHFFFAOYSA-N
-rxn:4:221175:228259,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)cc(OC)c4F)cn3)C2)C(=O)C1=O,GLXMALIXMOBLPB-UHFFFAOYSA-N
-rxn:4:221175:228410,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4Cl)cn3)C2)C(=O)C1=O,GAOOHVJSTRJXGJ-UHFFFAOYSA-N
-rxn:4:221175:228411,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4F)cn3)C2)C(=O)C1=O,ZVJNLOYVVYROQL-UHFFFAOYSA-N
-rxn:4:221175:228422,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(Cl)c4OC)cn3)C2)C(=O)C1=O,FNRVEKTYOOULFS-UHFFFAOYSA-N
-rxn:4:221175:228427,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(Cl)c4F)cn3)C2)C(=O)C1=O,OZPXQLATVVTJRQ-UHFFFAOYSA-N
-rxn:4:221175:228904,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccnc4Cl)cn3)C2)C(=O)C1=O,SRQFVBJXXYYMIK-UHFFFAOYSA-N
-rxn:4:221175:228907,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(OC)c4Cl)cn3)C2)C(=O)C1=O,PALGMUUHIPICKL-UHFFFAOYSA-N
-rxn:4:221175:228913,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(OC)c4F)cn3)C2)C(=O)C1=O,CTPXDPUTAQWCPG-UHFFFAOYSA-N
-rxn:4:221183:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cnc(OCC3CCCN(Cc4cn(C)nc4C)C3)nc2)c1,IWBIVJNEHVECAA-UHFFFAOYSA-N
-rxn:4:221189:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)C4)nc3)cc2)CC1,HKUSDPGRCCEYJB-UHFFFAOYSA-N
-rxn:4:221194:222540,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)cn1C,GNBCKVKVBKSDCW-UHFFFAOYSA-N
-rxn:4:221194:223054,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)CC2)cn1C,FEHLKVDCFQLQKF-UHFFFAOYSA-N
-rxn:4:221209:223279,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,UGVQEXINNVHMCT-UHFFFAOYSA-N
-rxn:4:221228:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)cc2)CC1,KBNKHJOAHKCZKH-UHFFFAOYSA-N
-rxn:4:221257:224198,CCN1CCN(Cc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CC(=O)OC)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,DRXPMKKMWYIREE-UHFFFAOYSA-N
-rxn:4:221270:225975,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,NBWGKVBJCSLVNI-UHFFFAOYSA-N
-rxn:4:221320:222542,Cc1ccc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)cc1OCCCN1CCNCC1,AMVOLLYBGQZCJW-UHFFFAOYSA-N
-rxn:4:221372:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5cc(N(C)C)cnn5)CC4)o3)cc2)CC1,CPWHXQSPENOPEK-UHFFFAOYSA-N
-rxn:4:221374:223602,Cn1ccnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)c1=O,JIXQVOCEQONESU-UHFFFAOYSA-N
-rxn:4:221384:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ccc(-c6cccnc6)nn5)CC4)o3)c(F)cc2C)CC1,XWTMSBOBLQVMFJ-UHFFFAOYSA-N
-rxn:4:221393:225454,CN1CC=C(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc2)CC1,RYTZSPCAWKNLTP-UHFFFAOYSA-N
-rxn:4:221395:223753,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCN(C)CC1,NGCCDZWMUTZYQA-UHFFFAOYSA-N
-rxn:4:221415:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N(C)C)n5)CC4)cc3)c2)CC1,NIWTUWDLBGFECC-UHFFFAOYSA-N
-rxn:4:221415:226428,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5C)cs4)cc3)CC2)n1,XMUUWSDJLMPIMB-UHFFFAOYSA-N
-rxn:4:221416:222976,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1C(=O)NC1CC1,PJAHPEMJOJDZAI-UHFFFAOYSA-N
-rxn:4:221417:222540,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)n2)n1,RMRURJKNNDETRR-UHFFFAOYSA-N
-rxn:4:221422:225212,CN1CCN(c2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,MGZIDVPXUGRSAF-UHFFFAOYSA-N
-rxn:4:221433:222395,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)cc3)CC2)n1,ORECDUKJZWXTCK-UHFFFAOYSA-N
-rxn:4:221434:223741,O=C(c1ccccc1-c1cc(CN2CCCc3ccccc32)ccc1F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,BHGTUHRJQIUGRK-UHFFFAOYSA-N
-rxn:4:221440:223501,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,NTYFGCVHJUXNCI-UHFFFAOYSA-N
-rxn:4:221447:222405,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C5NC(=O)NC5=O)c4)cc3)CC2)nc(N2CCOCC2)n1,JXVXCYFGEGFHNR-UHFFFAOYSA-N
-rxn:4:221447:222545,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)nc(N2CCOCC2)n1,WQXPFUHXNDMZKZ-UHFFFAOYSA-N
-rxn:4:221447:222588,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,YLLHTMUBWGIGDZ-UHFFFAOYSA-N
-rxn:4:221447:222622,CCC(C)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,PCXGXLIEKMZFKQ-UHFFFAOYSA-N
-rxn:4:221447:222623,CCC(C)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,APMXGIVZPAVBAQ-UHFFFAOYSA-N
-rxn:4:221447:222624,Cc1cc(N2CCN(Cc3ccc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,NVABXROFRYBSNE-UHFFFAOYSA-N
-rxn:4:221447:222684,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,UCCQZDMSTSXJGU-UHFFFAOYSA-N
-rxn:4:221447:222704,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,OYOUNCCIYSRHTN-UHFFFAOYSA-N
-rxn:4:221447:222705,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCNCC5)cc(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,PMSKDUQNGXQMRS-UHFFFAOYSA-N
-rxn:4:221447:222748,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(=O)NCC5CCCO5)c4)cc3)CC2)nc(N2CCOCC2)n1,DONNUUJPVGURGH-UHFFFAOYSA-N
-rxn:4:221447:222815,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC(=O)C(C)C)cc4)cc3)CC2)nc(N2CCOCC2)n1,RHNZWROJUACFIL-UHFFFAOYSA-N
-rxn:4:221447:222841,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,ZCZDBEXYLCXBRY-UHFFFAOYSA-N
-rxn:4:221447:222859,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN(C)C)cc4)cc3)CC2)nc(N2CCOCC2)n1,PMOZXIPQPJNGTF-UHFFFAOYSA-N
-rxn:4:221447:222927,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCCCC5O)nc4C)cc3)CC2)nc(N2CCOCC2)n1,QTTNOZUHIQINSW-UHFFFAOYSA-N
-rxn:4:221447:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1,AQVQPPVOLOEBOC-UHFFFAOYSA-N
-rxn:4:221447:222937,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)CC2)nc(N2CCOCC2)n1,QNAZDUBROXAFCU-UHFFFAOYSA-N
-rxn:4:221447:222963,CCCNC(=O)Cc1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1,RIERAOWPIGFGPT-UHFFFAOYSA-N
-rxn:4:221447:222965,CCCC(=O)NCc1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1,NKTKDODEQNVIPY-UHFFFAOYSA-N
-rxn:4:221447:222981,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(NC5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,SZRIFOSACZEDQS-UHFFFAOYSA-N
-rxn:4:221447:222990,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCC(O)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,NLEFQWRDNRBBHT-UHFFFAOYSA-N
-rxn:4:221447:223003,Cc1cc(N2CCN(Cc3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VGGFZGSANDBALD-UHFFFAOYSA-N
-rxn:4:221447:223020,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCC#N)cc4)cc3)CC2)nc(N2CCOCC2)n1,LFGISPZNBURYQU-UHFFFAOYSA-N
-rxn:4:221447:223032,CCCNC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(F)c1,XJKXXPZDPQFNRN-UHFFFAOYSA-N
-rxn:4:221447:223053,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC(C)C)cc4F)cc3)CC2)nc(N2CCOCC2)n1,WQEODHZOKWXKPE-UHFFFAOYSA-N
-rxn:4:221447:223065,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)CC2)nc(N2CCOCC2)n1,JUKBDSOXDUEJIN-UHFFFAOYSA-N
-rxn:4:221447:223120,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(=O)NC5CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VWCYYDIGJMYJTF-UHFFFAOYSA-N
-rxn:4:221447:223138,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,GPFKJOFLQSEIID-UHFFFAOYSA-N
-rxn:4:221447:223139,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,GQIPLJRKIGRQBR-UHFFFAOYSA-N
-rxn:4:221447:223142,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,OIFXWVTUYWPVDR-UHFFFAOYSA-N
-rxn:4:221447:223146,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C5CNCCO5)c4)cc3)CC2)nc(N2CCOCC2)n1,RUWGVTNVMIELNP-UHFFFAOYSA-N
-rxn:4:221447:223147,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CNCCO5)cc4)cc3)CC2)nc(N2CCOCC2)n1,DYIFAPCBIOSUND-UHFFFAOYSA-N
-rxn:4:221447:223151,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)nc(N2CCOCC2)n1,HMAXPLWOZLJAKJ-UHFFFAOYSA-N
-rxn:4:221447:223166,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCNCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,NSWPSHSHZRWDSV-UHFFFAOYSA-N
-rxn:4:221447:223490,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VMHYFUIVSHLSAM-UHFFFAOYSA-N
-rxn:4:221447:223526,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,DPVVTJFKXBLFEX-UHFFFAOYSA-N
-rxn:4:221447:223577,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,QHIOFUNVYDLZOH-UHFFFAOYSA-N
-rxn:4:221447:223592,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,GJKAQNPTLZJEBN-UHFFFAOYSA-N
-rxn:4:221447:223597,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,VRRJPAPGGYDSLS-UHFFFAOYSA-N
-rxn:4:221447:223675,Cc1cc(N2CCN(Cc3ccc(-c4cc(OCc5ccccc5)c(C(F)(F)F)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,KIMOGGWZPMSJMX-UHFFFAOYSA-N
-rxn:4:221447:223737,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,AAEPWUODSPOVNO-UHFFFAOYSA-N
-rxn:4:221447:223761,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cc3)CC2)nc(N2CCOCC2)n1,ZCOIIHPIXFIOQS-UHFFFAOYSA-N
-rxn:4:221447:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)cc2Cl)CC1,LRLMXTLRYHAKDT-UHFFFAOYSA-N
-rxn:4:221447:223892,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,BWHGPECEVKUWDE-UHFFFAOYSA-N
-rxn:4:221447:223902,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,DXNAADUOWFMSLY-UHFFFAOYSA-N
-rxn:4:221447:223944,Cc1cc(N2CCN(Cc3ccc(-c4c(C)c(Cl)cc5c4cnn5C4CCCCO4)cc3)CC2)nc(N2CCOCC2)n1,MOWLOXFQZPWYJB-UHFFFAOYSA-N
-rxn:4:221447:224088,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCCCCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,IVWGHAIDQXCKTJ-UHFFFAOYSA-N
-rxn:4:221447:224481,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCCN5CCCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,AUGGPGAVJFZDGP-UHFFFAOYSA-N
-rxn:4:221447:224485,Cc1cc(N2CCN(Cc3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,BHPNAEFZZDPSGW-UHFFFAOYSA-N
-rxn:4:221447:224603,Cc1cc(N2CCN(Cc3ccc(-c4cccc5c4cnn5C4CCCCO4)cc3)CC2)nc(N2CCOCC2)n1,AVSFPFXUDDMERM-UHFFFAOYSA-N
-rxn:4:221447:224824,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5OCCO5)cc(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,VWBKFCULECQIAQ-UHFFFAOYSA-N
-rxn:4:221447:224826,CCOC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cnc1C(F)(F)F,LOEUJXPUPRZZCO-UHFFFAOYSA-N
-rxn:4:221447:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1F,ZAOATAZMBHKRNO-UHFFFAOYSA-N
-rxn:4:221447:224986,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3)CC2)nc(N2CCOCC2)n1,BTEYBYHJODFCDD-UHFFFAOYSA-N
-rxn:4:221447:225053,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCCCC5C)cc4F)cc3)CC2)nc(N2CCOCC2)n1,PZXWGWRPDUPPLG-UHFFFAOYSA-N
-rxn:4:221447:225061,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCC(C)CC5)cc4F)cc3)CC2)nc(N2CCOCC2)n1,HCCLXIRLFOVGSU-UHFFFAOYSA-N
-rxn:4:221447:225311,Cc1cc(N2CCN(Cc3ccc(-c4cc(C(F)(F)F)c(C5CC5)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,JWJUHIIKPVPJPN-UHFFFAOYSA-N
-rxn:4:221447:225326,CCOC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c([N+](=O)[O-])c1,BBZBHFSGIQEBJB-UHFFFAOYSA-N
-rxn:4:221447:225366,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(C)(F)F)cc4C(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1,CEGULXGVPFKFHM-UHFFFAOYSA-N
-rxn:4:221447:225453,Cc1cc(N2CCN(Cc3ccc(-c4cccc(SC5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,LQVQZQIOCAPOGY-UHFFFAOYSA-N
-rxn:4:221447:225456,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,DAINDIUSRSARJN-UHFFFAOYSA-N
-rxn:4:221447:225577,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCCC5)cc4C#N)cc3)CC2)nc(N2CCOCC2)n1,WSWGIMUFCAPREE-UHFFFAOYSA-N
-rxn:4:221447:225583,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,HSKSXNVIXAQDHK-UHFFFAOYSA-N
-rxn:4:221447:225595,Cc1cc(N2CCN(Cc3ccc(-c4ccc(F)c(CN5CCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,JKGVWQCTYFHDLS-UHFFFAOYSA-N
-rxn:4:221447:225633,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,LFHVPZZUBLVJJO-UHFFFAOYSA-N
-rxn:4:221447:225776,CCCc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,CJEBCMQIAUMODO-UHFFFAOYSA-N
-rxn:4:221447:225784,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CN5CCOCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,JIEQRUXZOSOEOS-UHFFFAOYSA-N
-rxn:4:221447:225800,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)N5CCSC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,IRTRNBJGOXNOCF-UHFFFAOYSA-N
-rxn:4:221447:225827,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,JDSWKQMLFCXMKP-UHFFFAOYSA-N
-rxn:4:221447:225869,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,ULONHKVDYPNPME-UHFFFAOYSA-N
-rxn:4:221447:225872,Cc1cc(N2CCN(Cc3ccc(-c4cc(F)c(F)c(N5CCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,IKSKBIJVSZSBAH-UHFFFAOYSA-N
-rxn:4:221447:225907,CCCc1ncc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1C(F)(F)F,PPYRORPJLPKASU-UHFFFAOYSA-N
-rxn:4:221447:226056,Cc1cc(N2CCN(Cc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc3)CC2)nc(N2CCOCC2)n1,PRAOXRKQTCLUFL-UHFFFAOYSA-N
-rxn:4:221447:226060,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)cc(C5CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,PAWPQBZAMDQDHH-UHFFFAOYSA-N
-rxn:4:221447:226090,CCN(CC)Cc1cccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,PMNZYUZHGLCTHQ-UHFFFAOYSA-N
-rxn:4:221447:226126,COCc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1C1CC1,FHYLALAXNLUZRC-UHFFFAOYSA-N
-rxn:4:221447:226190,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCC5)cc4F)cc3)CC2)nc(N2CCOCC2)n1,JFAWSHFWTMBSLK-UHFFFAOYSA-N
-rxn:4:221447:226268,CCCOc1c(SC)cccc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,TWEUQYTYHPFGNW-UHFFFAOYSA-N
-rxn:4:221447:226275,Cc1cc(N2CCN(Cc3ccc(-c4cnc(OCC(C)C)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,XDAGGXUCIOONDM-UHFFFAOYSA-N
-rxn:4:221447:226299,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCC5CC5)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,SOEOIEVVGJVJSN-UHFFFAOYSA-N
-rxn:4:221447:226319,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)N5CCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,CONPGGNVRYSMBB-UHFFFAOYSA-N
-rxn:4:221447:226419,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCCC5)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,GJKAAXSJCURGMK-UHFFFAOYSA-N
-rxn:4:221447:226452,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5OCCCO5)cc4)cc3)CC2)nc(N2CCOCC2)n1,HYZZACDXAYKJBS-UHFFFAOYSA-N
-rxn:4:221447:226505,Cc1cc(N2CCN(Cc3ccc(-c4cnc(OCC(C)C)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,FGZCGTPUYMOWQI-UHFFFAOYSA-N
-rxn:4:221447:226521,COc1cc(OC)c(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(OC)c1,PXPSAFVIEJSHLS-UHFFFAOYSA-N
-rxn:4:221447:226561,COc1cc(OC)c(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1OC,YIIJOHKUNKXCDC-UHFFFAOYSA-N
-rxn:4:221447:226659,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,PMLZQKWXFFVVBL-UHFFFAOYSA-N
-rxn:4:221447:226756,COc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1C(F)(F)F,YZPGOUGLFSLWLT-UHFFFAOYSA-N
-rxn:4:221447:226860,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)ccc4OC(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1,ABBPMWZVOSOGFB-UHFFFAOYSA-N
-rxn:4:221447:227119,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCCCC5)cs4)cc3)CC2)nc(N2CCOCC2)n1,CLNDPOCQZVYODP-UHFFFAOYSA-N
-rxn:4:221447:227386,Cc1cc(N2CCN(Cc3ccc(-c4cnn(C5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,BUXQZDSUZNRDJE-UHFFFAOYSA-N
-rxn:4:221449:222975,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)cc4C)cc3)CC2)n1,BLXNHIYQXCXNMM-UHFFFAOYSA-N
-rxn:4:221456:228205,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)c(Cl)c4)cc3)CC2)n1,SLKSDJICZILGGP-UHFFFAOYSA-N
-rxn:4:221495:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3[nH]cc(C(=O)C(=O)N4CCN(c5ncccn5)CC4)c3c2)c1,NKJQJYVQEXBGQQ-UHFFFAOYSA-N
-rxn:4:221497:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)cc2)CC1,ZSACKZHFDHMNLV-UHFFFAOYSA-N
-rxn:4:221520:222811,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)cc(Cl)n1,CISFFVQRSVQYKN-UHFFFAOYSA-N
-rxn:4:221522:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,KNCXFGIOTSWOPZ-UHFFFAOYSA-N
-rxn:4:221539:224198,CCN1CCN(Cc2ccc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,XGLYCHMQLLQEPZ-UHFFFAOYSA-N
-rxn:4:221627:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5ccnc(C)n5)CC4)nc3)c(F)cc2C)CC1,QFEPFECWNVLOJI-UHFFFAOYSA-N
-rxn:4:221726:222540,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,AJEMMTYODCQLNO-UHFFFAOYSA-N
-rxn:4:221927:226844,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C(=O)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,KVTHZURIAHBPGG-UHFFFAOYSA-N
-rxn:4:221946:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4cccc(F)c4)CC3)o2)cc1OCCCN1CCN(C)CC1,DQQRHPOCGYJWNO-UHFFFAOYSA-N
-rxn:4:221981:226844,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccnc(C(=O)C(F)(F)F)c6)c5)no4)C3C2=O)cc1,XGCZUOJPAWUUPJ-UHFFFAOYSA-N
-rxn:4:222035:223753,Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)c2)cc1OCCCN1CCN(C)CC1,VSDWKJZOIWNHSF-UHFFFAOYSA-N
-rxn:4:222054:222632,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)o4)CC3)nn2)CC1,HFLUBHOVTPXULL-UHFFFAOYSA-N
-rxn:4:222056:223997,Cc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,BNWSCZASXNPKMO-UHFFFAOYSA-N
-rxn:4:222096:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(c5nc6cccnc6n5C)CC4)nc3)cc2F)CC1,ZIMYQJJDUVHDBV-UHFFFAOYSA-N
-rxn:4:222107:224612,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCN7CCOCC7)cc6)c5)no4)C3C2=O)cc1F,QBHORCQLQLJJBA-UHFFFAOYSA-N
-rxn:4:222108:222396,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1F,SEFTVYVJSQTVBL-UHFFFAOYSA-N
-rxn:4:222108:222628,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,UPUFTGHZZVCIEF-UHFFFAOYSA-N
-rxn:4:222108:222681,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNC(=O)OC(C)(C)C)c6F)cc5)no4)C3C2=O)cc1F,BZJRWZGXXGJSOZ-UHFFFAOYSA-N
-rxn:4:222108:222796,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)NC(C)(C)C)ccc6C)cc5)no4)C3C2=O)cc1F,VWFPVWFQCOELHF-UHFFFAOYSA-N
-rxn:4:222108:222858,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1F,KVVRHYMXQDXSON-UHFFFAOYSA-N
-rxn:4:222108:222864,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,TVLNAEQRNWEMGH-UHFFFAOYSA-N
-rxn:4:222108:222896,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1F,PIDYOKCCYOHZCL-UHFFFAOYSA-N
-rxn:4:222108:223009,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,KXFFSFCDYWNJJT-UHFFFAOYSA-N
-rxn:4:222108:223043,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,STZLAMILBAKYAX-UHFFFAOYSA-N
-rxn:4:222108:223070,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6csc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,IZSJCOBYMTUSBW-UHFFFAOYSA-N
-rxn:4:222108:223597,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(Cl)c6)cc5)no4)C3C2=O)cc1F,YMRNCWSVSRBRAT-UHFFFAOYSA-N
-rxn:4:222108:223662,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OCc7ccccc7)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1F,YUWDHELDTGPEIC-UHFFFAOYSA-N
-rxn:4:222108:223772,COc1ccc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c2c1,CNAMTCGXYUSSHK-UHFFFAOYSA-N
-rxn:4:222108:224400,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,RHYNJBZFESYDTK-UHFFFAOYSA-N
-rxn:4:222108:224458,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,WQYBLHSNBISHDD-UHFFFAOYSA-N
-rxn:4:222108:224612,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,XVSXKZYTOBXFDH-UHFFFAOYSA-N
-rxn:4:222108:224729,COc1nccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1C(=O)OC(C)(C)C,PDZHBBFJQNZWAD-UHFFFAOYSA-N
-rxn:4:222108:224733,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)F)c(OC7CCC7)c6)cc5)no4)C3C2=O)cc1F,OVYPFLUWRLCRKG-UHFFFAOYSA-N
-rxn:4:222108:224806,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C7CC7)cc6F)cc5)no4)C3C2=O)cc1F,ALEPOZWDUBSCAS-UHFFFAOYSA-N
-rxn:4:222108:225000,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,WUKSRNYWMNPBAF-UHFFFAOYSA-N
-rxn:4:222108:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,TVACVVMOADGUHK-UHFFFAOYSA-N
-rxn:4:222108:225369,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(Cl)c([N+](=O)[O-])c1,IKUZXGRMGFLJRJ-UHFFFAOYSA-N
-rxn:4:222108:225454,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,HGNABWMXNKMUBP-UHFFFAOYSA-N
-rxn:4:222108:225559,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCOC7)cc6)cc5)no4)C3C2=O)cc1F,WRCZMHWCIMJPDY-UHFFFAOYSA-N
-rxn:4:222108:225810,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C2OCCO2)c1,ITIPQGWMNKRQJT-UHFFFAOYSA-N
-rxn:4:222108:225816,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,ASTUCCHUCKHSFJ-UHFFFAOYSA-N
-rxn:4:222108:225871,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7C(=O)C=CC7=O)c6)cc5)no4)C3C2=O)cc1F,FBUWUCFBPOBPRE-UHFFFAOYSA-N
-rxn:4:222108:225896,COCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)cc1F,YCEXJNDFTAENPA-UHFFFAOYSA-N
-rxn:4:222108:225935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)C)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,DYAPLIZRHRBRFX-UHFFFAOYSA-N
-rxn:4:222108:226018,CSc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1OC(F)(F)F,ZRKOPUYYZBOPDC-UHFFFAOYSA-N
-rxn:4:222108:226050,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(OC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1F,TVXQYLLIAVQOFC-UHFFFAOYSA-N
-rxn:4:222124:226529,CCOC(=O)c1ccc(Cl)c(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)c1,JTURPHOEXZHPOR-UHFFFAOYSA-N
-rxn:4:222127:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6nn(C)c7ccccc67)CC5)[nH]n4)cc3)c(F)c2)CC1,CMFMBOFMFPWLAI-UHFFFAOYSA-N
-rxn:4:222161:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)nc1,IUDFYAQUYDAZJG-UHFFFAOYSA-N
-rxn:4:222167:223489,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)CC2)c1C,BWAVPKKUFYQBMY-UHFFFAOYSA-N
-rxn:4:222184:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(C(=O)N5CCC(n6ccnn6)CC5)n(C)nc4c3)cc2)CC1,WRZITCLGKRGSCX-UHFFFAOYSA-N
-rxn:4:222213:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncc(F)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,YSDFEDBZARKYCZ-UHFFFAOYSA-N
-rxn:4:222235:222632,CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)c(=O)n3C)n2C1C,QOSBQICCGMDNOB-UHFFFAOYSA-N
-rxn:4:222307:225306,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6c(OC)cc(F)c([Si](C)(C)C)c6F)c5)CC4C3)nn12,ICFGSFILSMUCBI-UHFFFAOYSA-N
-rxn:4:222318:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(C)cc5)CC4)c3)ccc2F)CC1,SHSSHADGAAMIQI-UHFFFAOYSA-N
-rxn:4:222364:223753,Cc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)cc1OCCCN1CCN(C)CC1,DCGJALSJUCDGLB-UHFFFAOYSA-N
-rxn:4:222380:223776,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)CCO7)cn5)CC4C3)ncnc21,OXIIVBCQXNMEAS-UHFFFAOYSA-N
-rxn:4:222380:223812,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(F)cc(CN7CCC8(CC7)OCCO8)c6)cn5)CC4C3)ncnc21,ADBUMOAHEVJLFP-UHFFFAOYSA-N
-rxn:4:222380:224172,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(CN(C)C(=O)OC(C)(C)C)c6)cn5)CC4C3)ncnc21,UIRDULSHSVJDMU-UHFFFAOYSA-N
-rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
-rxn:4:222462:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1OC,ORAFCLHFHLDPDK-UHFFFAOYSA-N
-rxn:4:222523:206054,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(F)(F)F)n[nH]c2C(C)(C)C)c(C(F)(F)F)c1,UGJSALQLZXYUHN-UHFFFAOYSA-N
-rxn:4:222542:219093,CCC(=O)C1=C(c2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,CGCVMOYLYUEOTC-UHFFFAOYSA-N
-rxn:4:222602:184214,Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)cc23)cc1,FQQLLSKTQHCSCY-UHFFFAOYSA-N
-rxn:4:222680:204736,COc1c(NC(=O)OC(C)(C)C)cccc1-c1nc2c(cc1Cc1ccc(F)cc1)N(C(C)=O)CC2(C)C,RYQIEGLXKDKBLN-UHFFFAOYSA-N
-rxn:4:222713:219093,CCC(=O)C1=C(c2ccc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)cc2)N(C(=O)CC)n2cnnc2S1,UMTSNZSAFDJHIG-UHFFFAOYSA-N
-rxn:4:222782:194697,Cc1cc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cnc1NC(=O)OC(C)(C)C,ZYIHWRVBJYINCQ-UHFFFAOYSA-N
-rxn:4:222820:219093,CCC(=O)C1=C(c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)cc2)N(C(=O)CC)n2cnnc2S1,HXJHUUMBQTYTNS-UHFFFAOYSA-N
-rxn:4:222950:178588,CONS(=O)(=O)c1cc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)ccc1OC,RWPMCPRFRSDWFJ-UHFFFAOYSA-N
-rxn:4:223002:187916,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCNCC2)cc1F,DBNOMVGXYWNVJA-UHFFFAOYSA-N
-rxn:4:223072:185196,CCCNS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2OC)cc1,XIFFPVHWTWHJGT-UHFFFAOYSA-N
-rxn:4:223080:204751,CC(C)NS(=O)(=O)c1ccc(-c2cccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)c2)cc1,HCFHWVAAYJBPMU-UHFFFAOYSA-N
-rxn:4:223093:184156,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cncc(NS(=O)(=O)C(C)C)c1)C2=O,VGEJKVRCIXQWMH-UHFFFAOYSA-N
-rxn:4:223093:185204,COc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1C1CN(C(=O)OC(C)(C)C)C1,NGDWCBPTABPAEN-UHFFFAOYSA-N
-rxn:4:223102:187206,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1Cl,KFKVLRIAOUDPPI-UHFFFAOYSA-N
-rxn:4:223500:219093,CCC(=O)C1=C(c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,NUXNFDYXCVZMFP-UHFFFAOYSA-N
-rxn:4:223520:178606,CC(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,XKSCCBCWQTZKSK-UHFFFAOYSA-N
-rxn:4:223771:187189,COc1ccc2c(c1)cc(-c1ccc(C3CN(C(=O)OC(C)(C)C)C3)cc1)n2C(=O)OC(C)(C)C,DBELDQXSOKRSCG-UHFFFAOYSA-N
-rxn:5:177186:223062:226662,CCOC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cnc(C3CCNCC3)cc2F)cc1C,YLMVESMYDOCNKV-UHFFFAOYSA-N
-rxn:5:177190:222958:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C)c(C3CCNCC3)c2)c1,RWBQQBSHXTVQDG-UHFFFAOYSA-N
-rxn:5:177190:222990:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,LSYLGWGIJGNYKL-UHFFFAOYSA-N
-rxn:5:177190:222994:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCC(O)CC3)c2)c1,QEZVIAZPSANNNV-UHFFFAOYSA-N
-rxn:5:177190:223054:226415,CCS(=O)(=O)Cc1ccc(-c2ccccc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,NSQGLHWXHWOHMB-UHFFFAOYSA-N
-rxn:5:177190:225462:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCC(C)CC3)c2)c1,XAGNCJPOSYRXCX-UHFFFAOYSA-N
-rxn:5:177190:225470:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(C)CC3)cc2)c1,WAFFWXOZDFTCJN-UHFFFAOYSA-N
-rxn:5:177190:225633:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,JWNRFYPXWOVATM-UHFFFAOYSA-N
-rxn:5:177190:225633:225470,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,SMSRNLQLWFMRBJ-UHFFFAOYSA-N
-rxn:5:177191:223006:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2F)CCC1,WTCKXAXETKDIEV-UHFFFAOYSA-N
-rxn:5:177373:225925:223139,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1OCC1OCCO1,VUEXONVMALYTGH-UHFFFAOYSA-N
-rxn:5:177373:227803:225881,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1OCC1OCCO1,ZZMQCCAXUPKHPU-UHFFFAOYSA-N
-rxn:5:177450:226427:225814,CC1CCN(c2csc(-c3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)c(OCC4CCC4)c3)c2)CC1,SVBJGPKPXMFGFZ-UHFFFAOYSA-N
-rxn:5:177730:223133:223054,CC(c1ccc(-c2ccc(-c3ccccc3N3CCNCC3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,SIEBZVDLPSXREW-UHFFFAOYSA-N
-rxn:5:177731:223018:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,BTISOSMAMMZZMT-UHFFFAOYSA-N
-rxn:5:177731:225450:226085,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1-c1ccc(C(=O)C2CCCC2)cc1,SSDLGVKZJDLIJW-UHFFFAOYSA-N
-rxn:5:177732:222959:226649,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCOCC2)ccc1C1CCNCC1,POXVHQBWECMJHU-UHFFFAOYSA-N
-rxn:5:177732:223061:226663,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCSCC3)nc2)c1,NTNZIDBWWCIIEB-UHFFFAOYSA-N
-rxn:5:177733:225439:223140,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C4CCCNC4)c3)c2)c1)N1CCCC1,XVPVUDOCNMIXJI-UHFFFAOYSA-N
-rxn:5:177734:225637:225613,Cc1cc(-c2ccccc2N2CCN(C)CC2)c(-c2ccnc(OC3CCCCC3)c2)cc1C(=O)OC(C)C,IPGSXFBSWQGGAG-UHFFFAOYSA-N
-rxn:5:177736:223062:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(C3CCNCC3)cc2F)cc1)N1CCCC1,CTPQJCZNHNQYOG-UHFFFAOYSA-N
-rxn:5:177736:223240:223054,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNC3)nc2)s1)N1CCC(O)C1,VRSXFFQOLUSQFY-UHFFFAOYSA-N
-rxn:5:177736:225439:223132,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccc(N3CCNCC3)c2)c1)N1CCCC1,GHWXNDGWLKITIC-UHFFFAOYSA-N
-rxn:5:177737:225439:223132,CC(c1cccc(-c2ccc(-c3cccc(N4CCNCC4)c3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,VFBOEXHKAKPNHJ-UHFFFAOYSA-N
-rxn:5:177738:226413:225605,COc1cc(-c2cc(C)cnc2OC2CCCC2)c(-c2cccc(N3CCOCC3)c2)cc1OC1CCC1,PLSZWNOHMWKODO-UHFFFAOYSA-N
-rxn:5:177739:223062:225805,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,BLBRAKLASQRFBS-UHFFFAOYSA-N
-rxn:5:177739:225849:226663,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCCC3)cc2F)c1-c1ccc(N2CCSCC2)nc1,DNDJMPYFCSNNKQ-UHFFFAOYSA-N
-rxn:5:177739:226345:225601,COC(=O)c1cc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C3(C#N)CCC3)cc2F)c(C)cc1C,NXIUFUKIHPYPHA-UHFFFAOYSA-N
-rxn:5:177891:223139:223356,CNC(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)c1,WUSNIDXHAHCDDW-UHFFFAOYSA-N
-rxn:5:177891:223148:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccccc1C1CNCCO1,AMYWJMPBLFTTKI-UHFFFAOYSA-N
-rxn:5:177891:225585:228878,O=C(SC1CS(=O)(=O)CC1c1cnn(C2COC2)c1)c1ccccc1-c1ccccc1CN1CCOCC1,NQHXEMOQKQVYHX-UHFFFAOYSA-N
-rxn:5:177891:225803:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,BSQXLFXBRDNIPO-UHFFFAOYSA-N
-rxn:5:177891:226583:223133,O=C(SC1CS(=O)(=O)CC1c1ccccc1N1CCNCC1)c1ccccc1-c1ccc(CN2CCOCC2)s1,FMIZUYPCVGGBHO-UHFFFAOYSA-N
-rxn:5:177891:226649:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cccnc1N1CCOCC1,GUUQLXKFXLPZLC-UHFFFAOYSA-N
-rxn:5:177891:226661:223312,CN1CCN(c2csc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc(C4CNC4)cc3)c2)CC1,PLRTWAZPDZKGHE-UHFFFAOYSA-N
-rxn:5:177891:226665:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCCOC3)nc2)cc1,FZYQQQZSHSADJP-UHFFFAOYSA-N
-rxn:5:177891:227438:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccnc(C2CCOC2)c1,ABSKHWBKCJVMFN-UHFFFAOYSA-N
-rxn:5:177891:227446:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1ccc(C2OCCO2)cc1,OGRUCIQRVKFOOM-UHFFFAOYSA-N
-rxn:5:177891:227654:223140,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCNC2)c1)c1ccccc1-c1ccc(C2OCCO2)nc1,TVQZVKNLVYMIMB-UHFFFAOYSA-N
-rxn:5:177891:227657:226447,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,MJSUBZJTJGZKBF-UHFFFAOYSA-N
-rxn:5:177891:227684:223239,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCCN2)c1)c1ccccc1-c1cnn(CC2OCCO2)c1,STSNSUIVEYCPKW-UHFFFAOYSA-N
-rxn:5:177891:228318:226649,COC(=O)c1ccncc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1,KNWHUOZWVDRUMU-UHFFFAOYSA-N
-rxn:5:177971:222404:225926,O=C1NC(=O)C(c2ccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c(OCC4CCCC4)c3)cc2)N1,BIBWHAAXQHANJV-UHFFFAOYSA-N
-rxn:5:178117:225820:225816,FC(F)(F)c1ccc(C2CC2)cc1-c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)cc1OCC1CCOCC1,GRRGRBUUQLGNNZ-UHFFFAOYSA-N
-rxn:5:178117:227656:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cc(N3CCOCC3)cs2)cc1OCC1CCOCC1,ZFYHHSNNEUZEGM-UHFFFAOYSA-N
-rxn:5:178118:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)c(OCC2CCCCO2)c1,RSUXUENEUJTGEQ-UHFFFAOYSA-N
-rxn:5:178118:227506:222960,Cc1cc(-c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)c1,SJIQNZHSEDZTPS-NTCAYCPXSA-N
-rxn:5:178120:227656:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1cc(N2CCOCC2)cs1,VVGBIGXLMDTDGR-UHFFFAOYSA-N
-rxn:5:178121:226450:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1cccc(C2(C)OCCO2)c1,GOFYFXPXODAMEV-UHFFFAOYSA-N
-rxn:5:178121:226452:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(C2OCCCO2)cc1,XLSXLEPWMXWPFM-UHFFFAOYSA-N
-rxn:5:178224:227501:222988,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2)cc(C2CCNCC2)n1,PHPAAMGIPHGEEK-UHFFFAOYSA-N
-rxn:5:178224:227506:222988,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2)cc(C2CCNCC2)n1,WIUMUXJKYHLYQH-NTCAYCPXSA-N
-rxn:5:178295:222405:228219,COC(=O)C1(c2cc(-c3cnc(C(C)C)cc3F)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,TYPUFAJSHUOINA-UHFFFAOYSA-N
-rxn:5:178295:223139:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccc(C3CCNCC3)nc2)CCC(=O)CC1,FABJRHRUYQAJMW-UHFFFAOYSA-N
-rxn:5:178295:223229:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,ZBTHSNMJOOORMR-UHFFFAOYSA-N
-rxn:5:178295:223263:228400,CNC(=O)c1ccc(F)c(-c2ccc(-c3ccc(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CIMNCWQTBCCROY-UHFFFAOYSA-N
-rxn:5:178295:223271:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2ccc(F)c(NC(C)=O)c2)CCC(=O)CC1,XDSUUCHSSQBWCN-UHFFFAOYSA-N
-rxn:5:178295:223285:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,BUSSJHJATQHMLA-UHFFFAOYSA-N
-rxn:5:178295:223286:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cccc(NS(C)(=O)=O)c2)CCC(=O)CC1,SCTXPFDXSIIUHQ-UHFFFAOYSA-N
-rxn:5:178295:223352:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2ccc(NC(C)C)nc2)CCC(=O)CC1,HBSVBBBHOOCGCI-UHFFFAOYSA-N
-rxn:5:178295:225407:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,GTZLVYKGYLURMX-UHFFFAOYSA-N
-rxn:5:178295:225417:226772,CCOc1ccc2ccccc2c1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UNCBRUXFQAKWER-UHFFFAOYSA-N
-rxn:5:178295:225419:226068,CCOc1cc2ccccc2cc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,MUNWKRJNOLQGAL-UHFFFAOYSA-N
-rxn:5:178295:225499:227143,COC(=O)C1(c2cc(-c3cc4ccc(OC)cc4s3)ccc2-c2ccc(C3CCCCC3)cc2F)CCC(=O)CC1,RPTRFAQNKQKROZ-UHFFFAOYSA-N
-rxn:5:178295:225592:227935,CCc1cc(-c2ccc(-c3cc(F)ccc3CN3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,OMETXMUKBCUINE-UHFFFAOYSA-N
-rxn:5:178295:225594:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(F)cc3CN3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YNXJPAYUYZLEHI-UHFFFAOYSA-N
-rxn:5:178295:225886:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,NZXIGRPNYWGSNZ-UHFFFAOYSA-N
-rxn:5:178295:225886:227450,COC(=O)C1(c2cc(-c3cccc(C4CC4(F)F)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,ZCJTXFXNCCHGHS-UHFFFAOYSA-N
-rxn:5:178295:226059:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,HZZHZWGRXXMCCQ-UHFFFAOYSA-N
-rxn:5:178295:226062:228551,CCCc1ncccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HIZAUHMBBJTEMN-UHFFFAOYSA-N
-rxn:5:178295:226070:226187,COC(=O)C1(c2cc(-c3cccc(C4CCOCC4)c3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,FHAIUMHTNYAWAB-UHFFFAOYSA-N
-rxn:5:178295:226084:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,MFQWZBSCZSIEFH-UHFFFAOYSA-N
-rxn:5:178295:226148:228796,COC(=O)C1(c2cc(-c3cc(OC)ccc3F)ccc2-c2cccc(C#C[Si](C)(C)C)c2)CCC(=O)CC1,IPQCHZVJOHFHRE-UHFFFAOYSA-N
-rxn:5:178295:226149:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)c(C(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KGHBZZNHUABZBM-UHFFFAOYSA-N
-rxn:5:178295:226154:227868,COC(=O)C1(c2cc(-c3ccc4c(c3)OCCC4)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,ROJPIHIARJWWFW-UHFFFAOYSA-N
-rxn:5:178295:226188:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)c([Si](C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BCYKCFZUBMTBGG-UHFFFAOYSA-N
-rxn:5:178295:226211:223352,COC(=O)C1(c2cc(-c3ccc(NC(C)C)nc3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,DXHMPNYWMCBUAM-UHFFFAOYSA-N
-rxn:5:178295:226212:228178,COCc1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC4=NOC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XKUQEDNYLTUSBZ-UHFFFAOYSA-N
-rxn:5:178295:226217:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc3cc(C)cc(OC)c3s2)CCC(=O)CC1,PUMMUARZHRTIPW-UHFFFAOYSA-N
-rxn:5:178295:226322:228119,COC(=O)C1(c2cc(-c3ccc(SC(C)C)nc3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,XHKFJRPWRRWRKX-UHFFFAOYSA-N
-rxn:5:178295:226322:228517,CC#Cc1ccccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZOBUUTKONARSEI-UHFFFAOYSA-N
-rxn:5:178295:226322:228768,CCc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,ULKTVSNSNHCFGZ-UHFFFAOYSA-N
-rxn:5:178295:226341:228577,CC#Cc1cncc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KVMXONJXMHEFII-UHFFFAOYSA-N
-rxn:5:178295:226342:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,YJWAYNVLSKTYHZ-UHFFFAOYSA-N
-rxn:5:178295:226345:228606,CCc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)c(C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HOLDHIFTYMJOQW-UHFFFAOYSA-N
-rxn:5:178295:226575:228766,CCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,WRRFPHFCVVJBJG-UHFFFAOYSA-N
-rxn:5:178295:226579:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2cc(F)cc(C(=O)N(C)C)c2)CCC(=O)CC1,HGRPIHGNBYMFSX-UHFFFAOYSA-N
-rxn:5:178295:226579:228594,CCc1cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,JPJIQEFUXUUXBI-UHFFFAOYSA-N
-rxn:5:178295:226580:228918,COC(=O)C1(c2cc(-c3cnccc3C(F)F)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,QHZMPEXOQYTZGQ-UHFFFAOYSA-N
-rxn:5:178295:226603:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,NPJHJGBTTKWBSF-UHFFFAOYSA-N
-rxn:5:178295:226769:229054,COCc1cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cs1,MDKDVBHGLPQKQA-UHFFFAOYSA-N
-rxn:5:178295:226771:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)c(F)cc2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,MSLMPSBCMACVDT-UHFFFAOYSA-N
-rxn:5:178295:226907:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,DAUDFHZWWDXOTO-UHFFFAOYSA-N
-rxn:5:178295:226910:227987,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C)c(OC)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,HKANQEORDJWTDB-UHFFFAOYSA-N
-rxn:5:178295:226911:227286,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,DTYVQWIAPQJULF-UHFFFAOYSA-N
-rxn:5:178295:226911:227701,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C(=O)OC)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,WQUUQVVCEVJLCH-UHFFFAOYSA-N
-rxn:5:178295:226912:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XNNSYNBCTNOGFL-UHFFFAOYSA-N
-rxn:5:178295:226912:228257,COC(=O)C1(c2cc(-c3c(F)cc(C)cc3OC)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,AQSGJIZFVLASAK-UHFFFAOYSA-N
-rxn:5:178295:226914:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,YEGPMSSMCAZUJE-UHFFFAOYSA-N
-rxn:5:178295:226914:228021,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)=O)c3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,PCBHJEVUJGVCPL-UHFFFAOYSA-N
-rxn:5:178295:226916:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,ZZPXRMCMMWIZLD-UHFFFAOYSA-N
-rxn:5:178295:226916:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,NXYDJLKLYZQJFT-UHFFFAOYSA-N
-rxn:5:178295:226917:228318,COC(=O)c1ccncc1-c1ccc(-c2cc(C)cc(C(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ABKSSJYDLYJUHY-UHFFFAOYSA-N
-rxn:5:178295:226922:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(C)cc(C3CC3)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,LFZXLDZQAPOVAI-UHFFFAOYSA-N
-rxn:5:178295:226926:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,VXOYVRXTZRIOOM-UHFFFAOYSA-N
-rxn:5:178295:226959:227942,CCc1ccc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,UZTKJRZKVGWKGA-UHFFFAOYSA-N
-rxn:5:178295:226966:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,WMVXIHWLUVFONT-UHFFFAOYSA-N
-rxn:5:178295:226968:228278,COC(=O)C1(c2cc(-c3cc(F)c(C)cc3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,BVLZWUYOIWRSGT-UHFFFAOYSA-N
-rxn:5:178295:226969:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,PXVYDRBCFPMPEX-UHFFFAOYSA-N
-rxn:5:178295:226974:227558,COC(=O)C1(c2cc(-c3ccc(OC(F)F)cc3C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,ADBQHDGRGJUPNO-UHFFFAOYSA-N
-rxn:5:178295:227038:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,BBYUZZXMZUAGCG-UHFFFAOYSA-N
-rxn:5:178295:227045:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,HFSXJYAZZGDFID-UHFFFAOYSA-N
-rxn:5:178295:227045:228144,CCCc1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,HMGCDWNALQANQA-UHFFFAOYSA-N
-rxn:5:178295:227050:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(OC(C)C)c(C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YMTJOJMWBSRBDZ-UHFFFAOYSA-N
-rxn:5:178295:227050:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(OC(C)C)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HXSDUKNDHFVREB-UHFFFAOYSA-N
-rxn:5:178295:227052:223273,CNC(=O)c1cccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,YGZQOABTWCWCFN-UHFFFAOYSA-N
-rxn:5:178295:227052:228400,COC(=O)C1(c2cc(-c3ccc(F)c(F)c3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,QVXWDSMWALLPSC-UHFFFAOYSA-N
-rxn:5:178295:227069:227923,CCOc1ccc(C)cc1-c1ccc(-c2ccc(OC)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DBEDKBZRWKNORQ-UHFFFAOYSA-N
-rxn:5:178295:227069:227935,CCc1cc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,CTSOUBAELVVIDC-UHFFFAOYSA-N
-rxn:5:178295:227076:228106,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C(C)CC)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AVLUAMZPZRLYJM-UHFFFAOYSA-N
-rxn:5:178295:227076:228721,CCC(C)c1ccc(F)c(-c2ccc(-c3ccnn3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HXGVGTYEVWREDB-UHFFFAOYSA-N
-rxn:5:178295:227077:227860,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCN4C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KOAFVHQERWWKAC-UHFFFAOYSA-N
-rxn:5:178295:227124:228388,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,YADQSNALVGVKAM-UHFFFAOYSA-N
-rxn:5:178295:227299:227309,CCC(C)c1cc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,CFGLUUUEELSZNJ-UHFFFAOYSA-N
-rxn:5:178295:227299:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CTRPGXQCBDJAOA-UHFFFAOYSA-N
-rxn:5:178295:227311:228227,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,BENDEJONNYQMNS-UHFFFAOYSA-N
-rxn:5:178295:227311:228562,CCC(C)c1csc(-c2ccc(-c3cnc(C(C)CC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IRGRVHPRTKVKKZ-UHFFFAOYSA-N
-rxn:5:178295:227312:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,ZMMPMRCUCWGYNE-UHFFFAOYSA-N
-rxn:5:178295:227313:227313,CCC(C)c1cc(-c2ccc(-c3cc(C(C)CC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,BGNIHZWTYQOAJU-UHFFFAOYSA-N
-rxn:5:178295:227313:228253,CCC(C)c1cc(-c2ccc(-c3ccc(P(C)(C)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,KXGIEDWLRRRWJG-UHFFFAOYSA-N
-rxn:5:178295:227313:228255,CCC(C)c1cc(-c2ccc(-c3ccc(C)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,APPOUNIZHYXVAK-UHFFFAOYSA-N
-rxn:5:178295:227314:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XIGKFDKWVSXGMP-UHFFFAOYSA-N
-rxn:5:178295:227343:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C)cc(C(=O)OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GNYSWPSTYVSBEC-UHFFFAOYSA-N
-rxn:5:178295:227345:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(OC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,IIAGFCURAGSKAJ-UHFFFAOYSA-N
-rxn:5:178295:227350:228179,COCc1cc(F)cc(-c2ccc(-c3c(OC)cc(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FLDKZCSRORSZBP-UHFFFAOYSA-N
-rxn:5:178295:227353:227840,COC(=O)C1(c2cc(-c3cccc(C)c3C3CC3)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,BZZALVMULMSTCO-UHFFFAOYSA-N
-rxn:5:178295:227353:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,KBSJWVLUSIODPG-UHFFFAOYSA-N
-rxn:5:178295:227357:228144,CCCc1ccc(-c2ccc(-c3ccc(F)c(C(=O)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XHXXOOAOOAGRMB-UHFFFAOYSA-N
-rxn:5:178295:227512:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(=O)OC)ncc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,XXGMLXJJTOSQJT-UHFFFAOYSA-N
-rxn:5:178295:227523:228279,CCc1cc(F)c(-c2ccc(-c3cc(C)ncc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,USJJIKQVDKHODW-UHFFFAOYSA-N
-rxn:5:178295:227530:228144,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,VUPBTNTULKPGEZ-UHFFFAOYSA-N
-rxn:5:178295:227554:228179,COCc1cc(F)cc(-c2ccc(-c3cccc(F)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QZHZZWXTMAHBDF-UHFFFAOYSA-N
-rxn:5:178295:227568:227927,CCC(=O)c1cccc(-c2ccc(-c3c(F)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SJGAAPAFTSXGJX-UHFFFAOYSA-N
-rxn:5:178295:227591:228016,COC(=O)C1(c2cc(-c3cc(C4CCCC4)cs3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,RKEOKERGPINFSD-UHFFFAOYSA-N
-rxn:5:178295:227591:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,PPLZBFXIDSERTO-UHFFFAOYSA-N
-rxn:5:178295:227705:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GOCAEFSBJSJEBC-UHFFFAOYSA-N
-rxn:5:178295:227807:227495,CCN(C)c1cc(-c2ccc(-c3cccc4c3CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,MKHZCJIIXBXQGH-UHFFFAOYSA-N
-rxn:5:178295:227811:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,HXGFJBSZKJMPBT-UHFFFAOYSA-N
-rxn:5:178295:227815:227304,CCC(C)c1ccccc1-c1ccc(-c2cnc(OC(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,WZDXLXHQYMLGIQ-UHFFFAOYSA-N
-rxn:5:178295:227815:227540,CCC(C)c1ccccc1-c1ccc(-c2cc(SC)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,UNNAUDSTXAMNHL-UHFFFAOYSA-N
-rxn:5:178295:227818:226191,CCC(C)c1cccc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AENCQCINQPJTNF-UHFFFAOYSA-N
-rxn:5:178295:227818:227350,CCC(C)c1cccc(-c2ccc(-c3c(OC)cc(C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XSSLGRWVHZUAKL-UHFFFAOYSA-N
-rxn:5:178295:227819:226334,CCc1cc(CC)cc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KZLPRORURGFNTP-UHFFFAOYSA-N
-rxn:5:178295:227819:227702,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)cnc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HBTOTXJBJNMKCK-UHFFFAOYSA-N
-rxn:5:178295:227830:227041,CCOc1cc(C)c(-c2ccc(-c3ccc(C4(C)CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,OBROOXHSLDLPGY-UHFFFAOYSA-N
-rxn:5:178295:227831:227077,CCc1c(C)cc(-c2ccc(-c3ccc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,WXQDIRUYSIIAQX-UHFFFAOYSA-N
-rxn:5:178295:227831:227512,CCc1c(C)cc(-c2ccc(-c3cc(C(=O)OC)ncc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,ZBBJIFYXRIQWOI-UHFFFAOYSA-N
-rxn:5:178295:227832:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C3CC3)cc2C)CCC(=O)CC1,KSVKKFMJGJSYBL-UHFFFAOYSA-N
-rxn:5:178295:228002:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2sccc2C2CCCC2)CCC(=O)CC1,GERDIJACRILBSZ-UHFFFAOYSA-N
-rxn:5:178295:228005:227067,COC(=O)C1(c2cc(-c3ccc(OC)cc3C3CC3)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,VWUDNWZJZDHADQ-UHFFFAOYSA-N
-rxn:5:178295:228105:226910,CCN(C)c1cc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,NESAYPNSHAWQTF-UHFFFAOYSA-N
-rxn:5:178295:228141:227313,CCCc1cc(F)c(-c2ccc(-c3cc(C(C)CC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,ZSNDRWQIMOBOTN-UHFFFAOYSA-N
-rxn:5:178295:228146:226907,CCc1cncc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,VAJZKMMWXCSGMQ-UHFFFAOYSA-N
-rxn:5:178295:228156:227209,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)O4)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,PWKNJJKQJALAGT-UHFFFAOYSA-N
-rxn:5:178295:228156:227331,COC(=O)C1(c2cc(-c3c(F)cccc3OC(C)C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,ZQIFFRUFUMSTLV-UHFFFAOYSA-N
-rxn:5:178295:228157:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,MRKXJNSCZAVSDD-UHFFFAOYSA-N
-rxn:5:178295:228157:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,JOMMACVFVOYLRP-UHFFFAOYSA-N
-rxn:5:178295:228267:227078,COC(=O)C1(c2cc(-c3cc(OC)ccc3C3CC3)ccc2-c2c(F)ccc(C)c2OC)CCC(=O)CC1,YZNRCTNCSMYDBF-UHFFFAOYSA-N
-rxn:5:178295:228395:227313,CCC(C)c1cc(-c2ccc(-c3cc(F)c(F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,RNXSAFSQWLOIMX-UHFFFAOYSA-N
-rxn:5:178295:228407:227346,CCCc1cc(F)c(-c2ccc(-c3c(OC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ZWXPXGYWUCSBOH-UHFFFAOYSA-N
-rxn:5:178295:228417:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(F)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ORRJTOAOEGZQNU-UHFFFAOYSA-N
-rxn:5:178295:228431:226921,COC(=O)C1(c2cc(-c3cc(C4CC4)c(C)cc3C)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,UZMFZNPSFCSHJB-UHFFFAOYSA-N
-rxn:5:178295:228435:227313,CCC(C)c1cc(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,HTABZTOOBDGSKJ-UHFFFAOYSA-N
-rxn:5:178295:228445:227313,CCC(C)c1cc(-c2ccc(-c3c(F)cccc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,WRNBNBFHSCCDCC-UHFFFAOYSA-N
-rxn:5:178295:228467:227942,CCc1ccc(-c2ccc(-c3cc(C(=O)OC)sc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,XWZNEFOXHYBSSI-UHFFFAOYSA-N
-rxn:5:178295:228503:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc3c(c2)CCC3)CCC(=O)CC1,NDCMRVIDFNUCAY-UHFFFAOYSA-N
-rxn:5:178295:228564:227542,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)s1,LULUTXMKFGQWNC-UHFFFAOYSA-N
-rxn:5:178295:228567:226190,CCC(C)c1sccc1-c1ccc(-c2ccc(C3CCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,BMTMLVGQCUCQGC-UHFFFAOYSA-N
-rxn:5:178295:228567:227307,CCC(C)c1sccc1-c1ccc(-c2ccc(C)nc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JSLGVOYBNODIKA-UHFFFAOYSA-N
-rxn:5:178295:228620:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(SC)c(C)c2)CCC(=O)CC1,MXPPAJLKOKQORC-UHFFFAOYSA-N
-rxn:5:178295:228622:226058,CCc1cc(F)ccc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,XWPRJBYIQHHPIG-UHFFFAOYSA-N
-rxn:5:178295:228624:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(C)c(SC)c2)CCC(=O)CC1,UYUITXGBPFMUIH-UHFFFAOYSA-N
-rxn:5:178295:228630:226144,CCc1cc(F)cc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZTLCWPWAELBUMY-UHFFFAOYSA-N
-rxn:5:178295:228639:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(C)c(F)c2C)CCC(=O)CC1,GTGAVSXDXCNHCR-UHFFFAOYSA-N
-rxn:5:178295:228696:225593,COCc1ccc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,RVRBFVINPIRQTP-UHFFFAOYSA-N
-rxn:5:178295:228696:226772,COCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,JPGHXALOCCYPAB-UHFFFAOYSA-N
-rxn:5:178295:228721:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccnn3C(C)(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BYWFAIHGHSSKEQ-UHFFFAOYSA-N
-rxn:5:178295:228737:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc(OC)nc2C)CCC(=O)CC1,UOAVFRFBKYJQCV-UHFFFAOYSA-N
-rxn:5:178295:229053:225671,COCc1ccc(-c2ccc(-c3cc(C4CCCCC4)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,SMAPXODLASLVLQ-UHFFFAOYSA-N
-rxn:5:178315:225450:226969,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2ccc3c(c2)CCCC3=O)c1,FVFZSONPCZWLSG-UHFFFAOYSA-N
-rxn:5:178315:226665:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc(C3CCCOC3)nc2)c1,SABHAPPDBUFKPP-UHFFFAOYSA-N
-rxn:5:178466:222405:223062,CC(C)OC(=O)c1sc2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,CDKGUGIMBZQOPY-UHFFFAOYSA-N
-rxn:5:178466:223065:226662,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,GVKBZRMKBQTBTQ-UHFFFAOYSA-N
-rxn:5:178466:225980:225976,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,RQRVZJWCNUVSTQ-UHFFFAOYSA-N
-rxn:5:178467:222980:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,RSYHDJRMTRNNNQ-UHFFFAOYSA-N
-rxn:5:178467:222981:227891,CCOC(=O)C1=Cc2cc(-c3ccccc3CN(C)C)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,CXJGTPNIYKNQCS-UHFFFAOYSA-N
-rxn:5:178467:222988:228245,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c(F)c3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,SQIAIAKKPIAHOU-UHFFFAOYSA-N
-rxn:5:178467:222994:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cccc(N4CCC(O)CC4)c3)c2OC1,DBHCJSHGRKMPCX-UHFFFAOYSA-N
-rxn:5:178467:223058:223435,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)OC)[nH]3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,XKRBCHZEEUBCII-UHFFFAOYSA-N
-rxn:5:178467:223058:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,KZVPIRVWVAUDBK-UHFFFAOYSA-N
-rxn:5:178467:223061:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,LBYNNBZFEQGUNF-UHFFFAOYSA-N
-rxn:5:178467:223062:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,KFLBJYAKTINJKE-UHFFFAOYSA-N
-rxn:5:178467:223112:225943,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3c(C(C)C)ccc4[nH]ncc34)c2OC1,KXEIMVOPLXBRNN-UHFFFAOYSA-N
-rxn:5:178467:223203:222958,CCOC(=O)C1=Cc2cc(-c3ccc(C)c(C4CCNCC4)c3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,SXDLEEXPCRESAZ-UHFFFAOYSA-N
-rxn:5:178467:223203:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,OFHWYFYXIDKANW-UHFFFAOYSA-N
-rxn:5:178467:223281:223007,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCNCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,IMYRTCQYQKLLCD-UHFFFAOYSA-N
-rxn:5:178467:223294:223218,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3C)NCCO4)cc(-c3csc(N4CCNCC4)n3)c2OC1,DRCPZGZVKOZVNS-UHFFFAOYSA-N
-rxn:5:178467:223294:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,FQRAUHWVOYLUMT-UHFFFAOYSA-N
-rxn:5:178467:225976:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,KPOJPEDNTOIXIB-UHFFFAOYSA-N
-rxn:5:178467:226191:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3cc(C4CCCC4)ccc3F)c2OC1,PJLXUSCRKOIPMG-UHFFFAOYSA-N
-rxn:5:178467:226395:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,HPYMAEUYBJLFNJ-UHFFFAOYSA-N
-rxn:5:178467:226661:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,SBNXAOOMKBUSGI-UHFFFAOYSA-N
-rxn:5:178467:226679:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GEJJOOURIASNSU-UHFFFAOYSA-N
-rxn:5:178467:226772:227350,CCOC(=O)C1=Cc2cc(-c3c(OC)cc(C)cc3OC)cc(-c3c(F)cc(C(=O)OC)cc3F)c2OC1,IUPQGHNDDFQSOT-UHFFFAOYSA-N
-rxn:5:178467:227625:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(C4CCCO4)nc3)c2OC1,FVTPRTNZIDOBPB-UHFFFAOYSA-N
-rxn:5:178467:227894:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cccc(/C=C/C#N)c3)c2OC1,BLMVXNDHCYXOSK-QPJJXVBHSA-N
-rxn:5:178467:228317:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C(=O)OC)nc3)c2OC1,UKAIXHSDDUEZBK-UHFFFAOYSA-N
-rxn:5:178467:228457:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,WKHCLCYUYWZNBY-UHFFFAOYSA-N
-rxn:5:180098:222405:225926,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3OC3CCCC3)c2)N1,DPGLESSFTBTJBD-UHFFFAOYSA-N
-rxn:5:180204:225805:227710,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2OC2CCOCC2)s1)N1CCOCC1,NYGKDXGVILUUFQ-UHFFFAOYSA-N
-rxn:5:180297:223008:227507,COc1cc(-c2cc(C3CCNCC3)ccc2F)c(C2(C)OCCO2)cc1-c1cccc(C=C[N+](=O)[O-])c1,QKKXIEBMUMSCJG-UHFFFAOYSA-N
-rxn:5:180421:225832:227444,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cncc(C2CCCO2)c1,XCGPXWKDQBLMLY-UHFFFAOYSA-N
-rxn:5:180506:226440:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cc(F)nc(C3CCCC3)c2)cc(C(C)(C)C)cc1C1OCCO1,HPURWGOTLWGMOI-UHFFFAOYSA-N
-rxn:5:180602:223062:225784,COC(=O)C1Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2O1,UUJXJHDDHORJGY-UHFFFAOYSA-N
-rxn:5:180602:226644:225833,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cncc(N4CCOCC4)c3)c2O1,ZFADUJZTENKVGG-UHFFFAOYSA-N
-rxn:5:180602:226663:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2O1,ANPOQXPBQRNOKQ-UHFFFAOYSA-N
-rxn:5:180602:226794:223061,COC(=O)C1Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,CUWUGUQKNLYYLB-UHFFFAOYSA-N
-rxn:5:180662:222989:227700,COC(=O)C1=Cc2cc(-c3cc(OC)ccc3[N+](=O)[O-])cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,GJJMPZZRTDCTLH-UHFFFAOYSA-N
-rxn:5:180662:223001:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,LZMAFWUZEJPKIG-PKNBQFBNSA-N
-rxn:5:180662:225605:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)cnc3OC3CCCC3)c2OC1,PUISBUBNJYBVNN-UHFFFAOYSA-N
-rxn:5:180662:226177:222409,COC(=O)C1=Cc2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)cc(-c3ccnc(C4CCCCC4)c3)c2OC1,UIJGOJATNHEVMV-UHFFFAOYSA-N
-rxn:5:180662:227569:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)ccc(F)c3OC)c2OC1,PMQNJCHIFFSVNF-UHFFFAOYSA-N
-rxn:5:180662:227710:222956,COC(=O)C1=Cc2cc(-c3ccc(C)cc3C3CCCNC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,CJHRLGXIQOFBLJ-UHFFFAOYSA-N
-rxn:5:180662:227710:225613,COC(=O)C1=Cc2cc(-c3ccnc(OC4CCCCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,LACDGTSNGNTNEU-UHFFFAOYSA-N
-rxn:5:180662:227710:225799,COC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,QRCFZWJJYOMFLW-UHFFFAOYSA-N
-rxn:5:181904:226652:222985,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCNC3)nc2C)n(C2CCCCO2)n1,NUBCBALMZLKEOG-UHFFFAOYSA-N
-rxn:5:181906:225607:226181,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2=CCCCC2)nc1,VRMGECYJEONSCR-UHFFFAOYSA-N
-rxn:5:181907:222986:222985,Cc1cc(-c2cc(C)nc(C3CCCNC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,VWUGDBLVGXJJOP-UHFFFAOYSA-N
-rxn:5:181908:223137:225832,Cc1cc(-c2cncc(C3CCCNC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,MPZPNDDHSGDPRL-UHFFFAOYSA-N
-rxn:5:181908:225439:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccc(C(C)N3CCCC3)c2)ccc1C1CCNCC1,KRZUACZGHBNGJZ-UHFFFAOYSA-N
-rxn:5:181908:225677:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCC3)nc2F)cc(C2CCCNC2)c1,UJXXBUZIZPEEKO-UHFFFAOYSA-N
-rxn:5:182010:226686:223058,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1C1CCOCC1,MFEZKNLKHORRKQ-UHFFFAOYSA-N
-rxn:5:183062:225671:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCCC3)ncc2F)cc2c1OCCCO2,CJOFFFYZWKVUNS-UHFFFAOYSA-N
-rxn:5:183189:222986:222996,Cc1cc(-c2cc(-c3ccc(F)cc3C3CCCNC3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)n1,SOXLVCPKWSMNAC-UHFFFAOYSA-N
-rxn:5:183189:225438:225407,CC(c1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)cc3c2OC(C)(C)OC3)cc1)N1CCCC1,YQQREZMYVYDUGQ-UHFFFAOYSA-N
-rxn:5:183189:226686:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)cc2c1OC(C)(C)OC2,IXWNZJHONFCJMK-UHFFFAOYSA-N
-rxn:5:188868:226661:223007,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(C3CCNCC3)c2)c1-c1cc(N2CCN(C)CC2)cs1,QLAAEWTWLMFALC-UHFFFAOYSA-N
-rxn:5:188930:225613:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)cc1-c1cc(C2CC2)cnc1C1CC1,LLCADMUVNACAGO-UHFFFAOYSA-N
-rxn:5:188930:225794:227295,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)cc1-c1ccnc(OC2CCC2)c1,FJVJGKAIDQIWKJ-UHFFFAOYSA-N
-rxn:5:188930:226330:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1cccnc1C1CCCNC1,SJSNOGLCKMUOOU-UHFFFAOYSA-N
-rxn:5:188930:227491:225597,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)cc1-c1ccc(OC2CCCCC2)nc1,OAVHTMDXUXXKCZ-UHFFFAOYSA-N
-rxn:5:188930:227491:225613,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)cc1-c1ccnc(OC2CCCCC2)c1,FENPOCINHICPEA-UHFFFAOYSA-N
-rxn:5:188932:222981:227381,COC(=O)c1cc(-c2cnc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(NC3CCCCC3)c2)c1,MGSNFNIEOZGSRD-UHFFFAOYSA-N
-rxn:5:188932:225597:227491,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)c1,KTVNSIFQIZWRHB-UHFFFAOYSA-N
-rxn:5:188932:225600:227491,COC(=O)c1cc(-c2cnc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)c1,JELFNOLRPUUZFO-UHFFFAOYSA-N
-rxn:5:188932:225794:227295,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCC3)c2)c1,AZWNGYOVUAKIGA-UHFFFAOYSA-N
-rxn:5:188932:225794:227296,COC(=O)c1cc(-c2ccc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)c1,CJDJYQVCCKFJPX-UHFFFAOYSA-N
-rxn:5:188932:226729:226338,COC(=O)c1cc(-c2cnc(OC3CCOC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCC3)c2)c1,JKLCCZXUOFPWSM-UHFFFAOYSA-N
-rxn:5:188932:227300:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cncc(OC3CCC3)c2)c1,CVZUQUQMABAEJD-UHFFFAOYSA-N
-rxn:5:189079:226662:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,FUGDZGJWGROLRU-UHFFFAOYSA-N
-rxn:5:189079:226662:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,YAAHWVQPTJJDLF-UHFFFAOYSA-N
-rxn:5:189079:226662:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,XZWYXOWTRTUIOF-UHFFFAOYSA-N
-rxn:5:189079:226662:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,JLHXHFWNJKUNGT-UHFFFAOYSA-N
-rxn:5:189207:226910:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)CC)cc2)cc1C(=O)ON1C(=O)CCC1=O,ANUZAFTVMQXCAE-UHFFFAOYSA-N
-rxn:5:189207:226926:226917,Cc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C(=O)ON2C(=O)CCC2=O)cc(C(C)(C)C)c1,BZRSUVMNUMKPHX-UHFFFAOYSA-N
-rxn:5:189208:225944:227513,COc1nc(OC)c(-c2cc(-c3c(F)cc(F)c(OC(C)C)c3F)ccc2C(=O)ON2C(=O)CCC2=O)cc1C,BMRDJSIDFNPIQN-UHFFFAOYSA-N
-rxn:5:189209:227408:227278,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(C5CCC5)ncc4F)c3)cn2)CC1,WNYDBNZECQGYRS-UHFFFAOYSA-N
-rxn:5:189209:228306:226412,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)cc(N4CCCC4)c3)c2)cn1,SRTGOHSSCKNEKL-UHFFFAOYSA-N
-rxn:5:189209:228879:226320,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnn4C4COC4)c3)c2)CC1,OBUIUJFWPMVTKS-UHFFFAOYSA-N
-rxn:5:189212:227278:227413,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCC4)cc3F)cn2)CC1,PSLJBTSXYBJHMI-UHFFFAOYSA-N
-rxn:5:189212:228201:226320,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCC4)nc3)c2)CC1,AZEXOZKCMWHXKA-UHFFFAOYSA-N
-rxn:5:189448:227505:225794,COC1CN(C(=O)c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(-c3cnc(OC4CCCCC4)nc3)c2)C1,UOLMXPBXQXWFEM-BUHFOSPRSA-N
-rxn:5:189512:225465:226031,CN1CCC(c2cccc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5ccc(C(F)(F)F)cc5C(F)F)c4)c3)c2)CC1,NRKRYYXDUDEDHG-UHFFFAOYSA-N
-rxn:5:189538:226589:222404,CC(C)c1cnc(C(F)F)cc1-c1ccc(C(=O)N(C)C(C)C)cc1-c1ccc(C2NC(=O)NC2=O)cc1,PDEWHGKQYXFSPJ-UHFFFAOYSA-N
-rxn:5:189665:226662:227710,CN1CCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)s2)CC1,TVMFBRLGMZPYPT-UHFFFAOYSA-N
-rxn:5:189665:227710:225805,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)s1)N1CCOCC1,RMBLOMREKVTNOR-UHFFFAOYSA-N
-rxn:5:189672:226447:225868,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccnc(C3CCOCC3)c2)c1-c1ccc(N2CCOCC2)c(F)c1,AWWLRMAPMLZUAW-KEIPNQJHSA-N
-rxn:5:189673:225679:226771,COC(=O)c1cc(F)c(F)cc1-c1cc(-c2ccc(N3CCCCC3)cc2F)ccc1/C=N/S(=O)C(C)(C)C,DVOPZZIFKCELSP-FABQOPTDSA-N
-rxn:5:189674:226318:226839,CN(C)c1cc(-c2cc(-c3cc(C(F)(F)F)ncc3C#N)ccc2/C=N/S(=O)C(C)(C)C)cc(C2CC2)n1,REVLPORBVUGJHX-AABVJFSESA-N
-rxn:5:189718:226911:227117,CCc1cc(C)cc(CC)c1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1cc(C2CC2)cc(C)c1F,XWURELRCTRYVFG-UHFFFAOYSA-N
-rxn:5:189909:226053:227062,CCOc1ccc(-c2ccc(-c3ccc(F)c(OC(F)(F)F)c3F)c(CCN3CCOCC3)c2)c(C)c1C,SEIGPCUPVOKLSF-UHFFFAOYSA-N
-rxn:5:189910:227490:225815,CC(C)(C)Oc1ncc(-c2ccc(-c3ccc(C4CC4)cc3C(F)(F)F)c(CCN3CCOCC3)c2)cn1,YHOIVPGSANMUTE-UHFFFAOYSA-N
-rxn:5:189952:223056:223113,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,OMAJQRDCIUIPOF-UHFFFAOYSA-N
-rxn:5:189952:225849:223011,COc1c(-c2cnc(N3CCCCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cc2[nH]ncc2cc1OC(C)C,ZWHGONKRAYUQSS-UHFFFAOYSA-N
-rxn:5:189952:228703:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(C2CCC2)c1,VKDUMRAWFISSHA-UHFFFAOYSA-N
-rxn:5:190001:226709:226031,Cc1cc(C(F)(F)F)cc(C)c1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(C(F)(F)F)cc1C(F)F,CHIUAISPINQQGK-UHFFFAOYSA-N
-rxn:5:190001:226926:226059,Cc1cc(C(C)(C)C)ccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(C(C)C)cc1C(C)C,XYYUCIMCNUDFTG-UHFFFAOYSA-N
-rxn:5:190127:226335:227166,COC1CCN(C(=O)c2cc(-c3ccc(C4COC4)c(C#N)c3)ccc2-c2ccc3c(c2)OCCN3C)CC1,XOOBLANMSVXDGT-UHFFFAOYSA-N
-rxn:5:190128:227935:226062,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cc(C(C)C)cc(C(C)C)c2)ccc1OC,GGDGJCQROYXUPJ-UHFFFAOYSA-N
-rxn:5:190194:225472:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(N3CCCCC3C)c2)ccc1OC,FFDAPPGRMWIMLF-UHFFFAOYSA-N
-rxn:5:190194:225589:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(CN3CCSCC3)cc2)ccc1OC,YYGTUNMJVDQEMN-UHFFFAOYSA-N
-rxn:5:190194:226329:225941,COC1CCN(Cc2cccc(-c3ccc(C4(C#N)CC4)c(F)c3)c2-c2cnc(C3CC3)c(C(F)(F)F)c2)CC1,JWTZUKJJICJJID-UHFFFAOYSA-N
-rxn:5:190194:227059:226146,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)cc1C(C)C,GVWODFSTHBZKAZ-UHFFFAOYSA-N
-rxn:5:190194:227349:226190,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCC3)cc2F)c1OC,DMHBESNWKVUNCH-UHFFFAOYSA-N
-rxn:5:190195:226028:227858,CN1Cc2cccc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccc(C(F)(F)F)c(C#N)c3F)c2C1,FBJBVVXULPIMHL-UHFFFAOYSA-N
-rxn:5:190196:223113:226364,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(N2CCCCC2)nc1)C1CCOCC1,XSGQMFNWYGEZMT-UHFFFAOYSA-N
-rxn:5:190196:225655:222417,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4cnc(=O)[nH]c4C(C)C)c3)c2)CC1,CWJKUNCQKCDTPI-UHFFFAOYSA-N
-rxn:5:190197:223141:227376,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cncc(C2CCNCC2)c1)C1CCOCC1,KXBMNZLOEZQVDA-UHFFFAOYSA-N
-rxn:5:190199:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cccc(CN3CCSCC3)c2)cc1CN(C)C1CCOCC1,RWOZKFDSIOCBQD-UHFFFAOYSA-N
-rxn:5:190199:226599:227799,CCOc1c(F)cc(-c2ccc(-c3cnc(C(F)(F)F)c(F)c3)cc2CN(C)C2CCOCC2)c(C)c1F,GDVUNFNMIBIQAW-UHFFFAOYSA-N
-rxn:5:190201:222417:225655,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)cc3CCN3CCOC(C)C3)c2)CC1,NYILDXMVDIFUTI-UHFFFAOYSA-N
-rxn:5:190265:226643:227771,CC1CCCN(C(=O)Cc2ccc(-c3ccc(OC(F)(F)F)nc3)c(-c3ccc(N4CCOCC4)nc3)c2)C1,MAVJXSHGWBOVBR-UHFFFAOYSA-N
-rxn:5:190335:223271:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(F)c(NC(C)=O)c2)c1OC,CMMPUBXEKXNFLB-UHFFFAOYSA-N
-rxn:5:190336:225674:226923,COc1c(-c2cc(C)c(C3CC3)cc2C)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(C2CCCCC2)cc1F,SZJISSIEYQGKAN-UHFFFAOYSA-N
-rxn:5:190336:227680:223001,COc1c(-c2cc(C3CCCNC3)ccc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1cccc2c1OC(F)(F)O2,JMTVQHOJTGWBBX-UHFFFAOYSA-N
-rxn:5:190337:226059:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(C(C)C)cc2C(C)C)c1OC,KKCDKXAOPHLNJR-UHFFFAOYSA-N
-rxn:5:190404:226131:227785,O=C(c1ccc(-c2ccccc2CN2CCCC2)o1)N1CCSC(c2ccccc2-c2ccc(F)nc2C(F)(F)F)CC1,HRXJUFNNOXLZNK-UHFFFAOYSA-N
-rxn:5:190459:225684:226973,Cc1nc(C2CCOCC2)ccc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2ccc3c(c2)C(C)(C)CO3)CC1,ICPHYIMGVUFDJM-UHFFFAOYSA-N
-rxn:5:190484:223146:225985,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2cccc(N3CCCS3(=O)=O)c2)S(=O)(=O)CC1,XADXQVFNGCGXFJ-UHFFFAOYSA-N
-rxn:5:190484:223240:227505,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,WHWKSVFKRVBXPV-XDJHFCHBSA-N
-rxn:5:190484:227507:223142,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCCNC3)nc2)S(=O)(=O)CC1,QUUKZWBLMMMYAK-UHFFFAOYSA-N
-rxn:5:190484:227907:227706,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(OC)cnc4C(F)F)S(=O)(=O)CC3)c2)c1,SMGDATNKPHXGMJ-UHFFFAOYSA-N
-rxn:5:190484:228895:223147,O=C(c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,DMYVEVUOFLJQKA-UHFFFAOYSA-N
-rxn:5:190579:225833:225607,CCOC(=O)c1[nH]c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,FDXPNXGLXZCKTB-UHFFFAOYSA-N
-rxn:5:190579:225833:225805,CCOC(=O)c1[nH]c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,RAFQIOCSZXXWRP-UHFFFAOYSA-N
-rxn:5:190579:225849:225607,CCOC(=O)c1[nH]c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,UYWBJGDZSNKSRE-UHFFFAOYSA-N
-rxn:5:190584:225976:225607,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(-c3ccnc(N4CCOCC4)c3F)cc2[nH]1,LBNQKSXKPIBHKO-UHFFFAOYSA-N
-rxn:5:190584:225976:225805,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3ccnc(N4CCOCC4)c3F)cc2[nH]1,ZKGKWJBDTNDEKB-UHFFFAOYSA-N
-rxn:5:190596:225607:225982,CCOC(=O)c1cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,CKZRXECQYMJUBE-UHFFFAOYSA-N
-rxn:5:190596:225805:225833,CCOC(=O)c1cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,BUQDRQJWFYQDTG-UHFFFAOYSA-N
-rxn:5:190740:223062:225600,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cccnc1OC1CCCCC1,JDXHPQWZEIFKMD-UHFFFAOYSA-N
-rxn:5:190740:223062:225613,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,MSWUXLMEOFJASK-UHFFFAOYSA-N
-rxn:5:190740:223065:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,QRJCBQVAEHYKME-UHFFFAOYSA-N
-rxn:5:190740:223065:225641,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,BCXIOTAVIGNHEE-UHFFFAOYSA-N
-rxn:5:190740:223065:225654,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCCC(C)C2)nc1,DQIXMCKBUDQZJS-UHFFFAOYSA-N
-rxn:5:190740:223065:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,PXNHRHWWBIOQQT-UHFFFAOYSA-N
-rxn:5:190740:225806:225641,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCC4)cc3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,FHPDGOVCWKHIFB-UHFFFAOYSA-N
-rxn:5:190740:225833:225598,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cccc(CN2CCSCC2)c1,WUXFPVKQQDNQSP-UHFFFAOYSA-N
-rxn:5:190740:225849:225803,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccnc(OC2CCOCC2)c1,MXCOMMWLVAMWAG-UHFFFAOYSA-N
-rxn:5:190740:225976:223056,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,KHMOGKWLURVHBX-UHFFFAOYSA-N
-rxn:5:190740:225976:225605,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(C)cnc1OC1CCCC1,CDJRFAHRNIOAGP-UHFFFAOYSA-N
-rxn:5:190740:225976:225654,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCCC(C)C2)nc1,ZVCJWMBATHQQTI-UHFFFAOYSA-N
-rxn:5:190740:225976:225798,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(OC2CCOCC2)nc1,JTRBNXQTVTYGSA-UHFFFAOYSA-N
-rxn:5:190740:225978:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,SOPOAKJYXXSBQZ-UHFFFAOYSA-N
-rxn:5:190740:225978:225803,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccnc(OC2CCOCC2)c1,JMKMMANMZQZZRM-UHFFFAOYSA-N
-rxn:5:190740:225982:225597,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(OC2CCCCC2)nc1,PMWZHSKVEQQGAM-UHFFFAOYSA-N
-rxn:5:190740:225982:225638,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(N2CCC(C)CC2)nc1,CMCOGDHSOFSMNS-UHFFFAOYSA-N
-rxn:5:190741:223000:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCCNC4)c(F)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,BHNJPTLXYYBOSV-UHFFFAOYSA-N
-rxn:5:190741:223061:225834,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,DGSNIYHYTYXDJF-UHFFFAOYSA-N
-rxn:5:190741:223064:225605,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cc(C)cnc1OC1CCCC1,PJQOGTOSQVDUAS-UHFFFAOYSA-N
-rxn:5:190741:223064:225833,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PXEIFTTVJCFVKA-UHFFFAOYSA-N
-rxn:5:190741:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,BBHLIGZQLXYIGT-UHFFFAOYSA-N
-rxn:5:190741:223065:225597,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(OC2CCCCC2)nc1,AENRQMLGLDPIIB-UHFFFAOYSA-N
-rxn:5:190741:223065:225613,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,RMQFOLIUKKZAJW-UHFFFAOYSA-N
-rxn:5:190741:223065:225632,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cccc(N2CCN(C)CC2)c1,CGVKHNPVMHWZIL-UHFFFAOYSA-N
-rxn:5:190741:223065:225638,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,BRTNMCALHYVEPK-UHFFFAOYSA-N
-rxn:5:190741:225794:225868,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)cc(C)cc2c1-c1ccc(N2CCOCC2)c(F)c1,YHWPGTFSQYQYHD-UHFFFAOYSA-N
-rxn:5:190741:225806:225641,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,VOUVNUFHCQOQPL-UHFFFAOYSA-N
-rxn:5:190741:225849:225803,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,PSXFCQHFYQMULR-UHFFFAOYSA-N
-rxn:5:190741:225976:225654,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCC(C)C2)nc1,YWCLFQGYBGSHPK-UHFFFAOYSA-N
-rxn:5:190741:225976:225803,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,XTUMSXHKQHEYCB-UHFFFAOYSA-N
-rxn:5:190741:225978:225641,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,JAWGPYKXMSMPGK-UHFFFAOYSA-N
-rxn:5:190741:225982:225597,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(OC2CCCCC2)nc1,KCDZXAPTTBOMKV-UHFFFAOYSA-N
-rxn:5:190741:225982:225639,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,IHMGPTOFLQKCTH-UHFFFAOYSA-N
-rxn:5:190741:226330:225833,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCC4)s3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YDMQAMFXIZIGJI-UHFFFAOYSA-N
-rxn:5:190741:226426:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,ZVWAGZSNAMSSAJ-UHFFFAOYSA-N
-rxn:5:190742:223006:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(C2CCNCC2)nc1F,CKJIWRLOVDMRNM-UHFFFAOYSA-N
-rxn:5:190742:223007:225794,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(C4CCNCC4)c3)c2c1-c1cnc(OC2CCCCC2)nc1,ACGCRJAGKHPYAY-UHFFFAOYSA-N
-rxn:5:190742:223062:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCNCC2)cc1F,BUCUNBSOROMMNR-UHFFFAOYSA-N
-rxn:5:190742:223065:225631,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCN(C)CC2)cc1,YCJNHHFMCKFBQU-UHFFFAOYSA-N
-rxn:5:190742:223065:225632,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccc(N2CCN(C)CC2)c1,RWEYFARPJQNTOD-UHFFFAOYSA-N
-rxn:5:190742:225655:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cc(N2CCOCC2)ncc1F,CYZKOELTHPKUEF-UHFFFAOYSA-N
-rxn:5:190742:225868:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)c(F)c3)c2c1-c1cnc(OC2CCCCC2)nc1,SWGZJLWSDFJFST-UHFFFAOYSA-N
-rxn:5:190742:225976:225597,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(OC2CCCCC2)nc1,YQCAZIUKHWBVLA-UHFFFAOYSA-N
-rxn:5:190742:225976:225638,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCC(C)CC2)nc1,SUWXENPSMZWOFG-UHFFFAOYSA-N
-rxn:5:190742:225976:225639,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cccnc1N1CCC(C)CC1,WZAAEITYTWRQQT-UHFFFAOYSA-N
-rxn:5:190742:225976:225641,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(N2CCCC(C)C2)c1,ZRGBHEJBOHASMX-UHFFFAOYSA-N
-rxn:5:190742:225978:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,OIRFTOJMVLVBQZ-UHFFFAOYSA-N
-rxn:5:190742:225980:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,LBGZASFFMWOFKA-UHFFFAOYSA-N
-rxn:5:190742:225982:225639,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cccnc1N1CCC(C)CC1,BEECPGARGPKPCR-UHFFFAOYSA-N
-rxn:5:190742:226427:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCC(C)CC4)cs3)c2c1-c1ccnc(N2CCCCC2)c1F,SLNJMHLTTLYIAV-UHFFFAOYSA-N
-rxn:5:190742:226654:225849,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1cnc(N2CCCCC2)cc1F,BHZBMIBFFIMXDO-UHFFFAOYSA-N
-rxn:5:190743:223004:225794,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)c(F)c3)ccc2c1-c1cnc(OC2CCCCC2)nc1,UEPXZKXKKZIDHZ-UHFFFAOYSA-N
-rxn:5:190743:223064:223062,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,DSNNHDWCPHSVMA-UHFFFAOYSA-N
-rxn:5:190743:225794:223007,CCOC(=O)c1cnc2c(C)c(-c3cnc(OC4CCCCC4)nc3)ccc2c1-c1cc(F)cc(C2CCNCC2)c1,YWEZKCJWGQGGBP-UHFFFAOYSA-N
-rxn:5:190744:223000:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCCNC4)c(F)c3)c(C)ccc2c1-c1cnc(OC2CCCCC2)nc1,MKJXXLFUSBIINV-UHFFFAOYSA-N
-rxn:5:190744:223064:225633,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,WUQGHLVTQYMIJC-UHFFFAOYSA-N
-rxn:5:190744:223065:225632,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCN(C)CC2)c1,LMGPHSVFPLOXRE-UHFFFAOYSA-N
-rxn:5:190744:223065:225636,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,XCJWUAXGQDDHGR-UHFFFAOYSA-N
-rxn:5:190744:223065:225641,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCC(C)C2)c1,ZWYKNMNFJKLWEG-UHFFFAOYSA-N
-rxn:5:190744:225794:223004,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,WSPKQWBNVFRGCV-UHFFFAOYSA-N
-rxn:5:190744:226427:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,SQRRPNGPMSEVTB-UHFFFAOYSA-N
-rxn:5:190797:225453:226140,COc1ccc(C(C)(C)C)cc1-c1cc(-c2cccc(SC3CCCCC3)c2)cc2c1ccn2C(=O)OC(C)(C)C,BDMFUPNIUCALRJ-UHFFFAOYSA-N
-rxn:5:190832:225655:225849,CCOC(=O)c1cnc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,CLSOKCHSCRWXDR-UHFFFAOYSA-N
-rxn:5:190833:223143:227950,Cc1ccc(N(C)C)cc1-c1ccc(-c2cccc(N3CCC(O)C3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,IBEKZNVDHSINTK-UHFFFAOYSA-N
-rxn:5:190833:226610:228697,CCc1cc(-c2ccc(-c3ccnc(COC)c3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1,HBKZVHKKNFJHIG-UHFFFAOYSA-N
-rxn:5:190833:226973:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,YCEBGYGHBHFAJE-UHFFFAOYSA-N
-rxn:5:190833:227052:227953,Cc1cc(N(C)C)ccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,NPACHZSINAZTJP-UHFFFAOYSA-N
-rxn:5:190833:227297:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(CN(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,WIIQBSNUZAYIMU-UHFFFAOYSA-N
-rxn:5:190833:227999:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccc(C(C)C)cc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,VRKJAOODEPJZCL-UHFFFAOYSA-N
-rxn:5:190833:228126:227057,COc1ccc(-c2ccc(-c3cccc(OC)c3C3CC3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c(C#N)c1,YRZGZQDONHKKOS-UHFFFAOYSA-N
-rxn:5:190859:225448:228245,CC(=O)c1ccc(-c2c(-c3cc(C)ccc3OC3CCCC3)ccc3c2CCN3C(=O)OC(C)(C)C)cc1F,IJFSHKBPMWIZHD-UHFFFAOYSA-N
-rxn:5:190859:226046:226058,CC(C)c1cccc(C(C)C)c1-c1c(-c2ccnc(C(F)(F)C(F)(F)F)c2)ccc2c1CCN2C(=O)OC(C)(C)C,UJBDAGPWBFAFJU-UHFFFAOYSA-N
-rxn:5:190859:227048:227087,Cc1cnc(C(C)(C)C)c(-c2c(-c3ccc(C(=O)C(C)C)cc3)ccc3c2CCN3C(=O)OC(C)(C)C)c1,CYDZKCIOMIARJO-UHFFFAOYSA-N
-rxn:5:190859:227065:223289,CNS(=O)(=O)c1ccccc1-c1c(-c2cccc(C(=O)C(C)C)c2)ccc2c1CCN2C(=O)OC(C)(C)C,XAFLPUMVXIBYMA-UHFFFAOYSA-N
-rxn:5:190993:227316:223062,CC(C)Cc1cc(-c2ccc3c(c2)CN(CCc2ccc(-c4cnc(C5CCNCC5)cc4F)cc2)C(=O)CO3)cc(F)n1,FBGYKZJYSZWSAM-UHFFFAOYSA-N
-rxn:5:190998:226910:227048,CCC(C)(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(=O)C(C)C)cc4)cc2C(=O)OC)C(=O)CO3)cc1,USLVEDSDBCPSHX-UHFFFAOYSA-N
-rxn:5:191026:227052:227907,CCC(C)c1cncc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccc(SC(C)(C)C)cc5)cc43)ccc2C)c1,KCRKZTZMEUOGGD-UHFFFAOYSA-N
-rxn:5:191026:227076:228157,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,FMRJIOFRCPHIDP-UHFFFAOYSA-N
-rxn:5:191026:227311:226059,CCC(C)c1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)C)cc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)cn1,GMXDDQUYBQQCRT-UHFFFAOYSA-N
-rxn:5:191026:228551:226068,CCCc1ncccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3c(C)cc(C(C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,ACFNHMLSWXOTPI-UHFFFAOYSA-N
-rxn:5:191026:228562:227065,CCC(C)c1csc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(=O)C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,XXBVSXJTRGZNAX-UHFFFAOYSA-N
-rxn:5:191049:227800:226926,COc1cc(N2Cc3cc(-c4cc(F)nc(C(F)(F)F)c4)ccc3OCC2=O)c(OC)cc1-c1ccc(C(C)(C)C)cc1C,QYKFDTNVFPZFSN-UHFFFAOYSA-N
-rxn:5:192235:226794:223054,COc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(N)(=O)=O,QDVMTHBSRRQTBA-UHFFFAOYSA-N
-rxn:5:192236:225454:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(C2=CCN(C)CC2)cc1,GFFCSXNJFFQUQX-UHFFFAOYSA-N
-rxn:5:192236:225982:223056,COc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(S(N)(=O)=O)cc1-c1cnc(N2CCOCC2)cc1F,KUCGYVVOWKMEAW-UHFFFAOYSA-N
-rxn:5:193052:226152:225985,COc1cc(C2CC2)cc(-c2ccc(C(=O)N3CCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)c1C,LZXIZLYOXOHVSB-UHFFFAOYSA-N
-rxn:5:193226:226366:223141,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cncc(C3CCNCC3)c2)c1)N1CCOCC1,QVPOJXPQYVVKEK-UHFFFAOYSA-N
-rxn:5:193228:222993:227592,COc1cc(F)cc(-c2cc(C(=O)N3CCSCC3)cc(-c3cccc(N4CCCCC4O)c3)c2)c1OC,FMZPVOQEFMRUSW-UHFFFAOYSA-N
-rxn:5:193229:226364:223006,O=C(c1cccc(-c2ccc(N3CCCCC3)nc2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,IUKFKJMBCQWFPD-UHFFFAOYSA-N
-rxn:5:193229:227506:223062,O=C(c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,JAZGRNOUWBHFMQ-FMIVXFBMSA-N
-rxn:5:193229:227657:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc(N2CCOCC2)s1,BZJFMRIIXPAHQA-UHFFFAOYSA-N
-rxn:5:193334:225926:226731,CN(C)S(=O)(=O)c1ccccc1-c1cccc(CN2CCOCC2)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,NHTWULSQCXBYKV-UHFFFAOYSA-N
-rxn:5:193382:222958:226661,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)cc1C1CCNCC1,XRZYQPGCSDVMQW-UHFFFAOYSA-N
-rxn:5:193382:222960:225874,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)c(N4CCOCC4)c3)c2)cc(C2CCNCC2)c1,AKEUBGIMPSVGLY-UHFFFAOYSA-N
-rxn:5:193382:222960:226413,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCOCC4)c3)c2)cc(C2CCNCC2)c1,YLLYEMHQNZBKLO-UHFFFAOYSA-N
-rxn:5:193382:223001:222960,Cc1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,NLTXLOAQMTVQFE-UHFFFAOYSA-N
-rxn:5:193382:223056:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,DFTNBKRNRALLCF-UHFFFAOYSA-N
-rxn:5:193382:223062:222996,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(F)cc1C1CCCNC1)N1CCOCC1,MTOAZYDLCMFZMY-UHFFFAOYSA-N
-rxn:5:193382:223136:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccncc2C2CCCNC2)ccc1S(=O)(=O)N1CCOCC1,OJNSLOPHFONIAG-UHFFFAOYSA-N
-rxn:5:193382:223140:226413,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,BFCAIJHWMSZRRA-UHFFFAOYSA-N
-rxn:5:193382:223142:223140,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,WGVGBHHSJWMSKN-UHFFFAOYSA-N
-rxn:5:193382:223241:225638,CC1CCN(c2ccc(-c3cc(-c4cncc(C5CCNC5)c4)ccc3S(=O)(=O)N3CCOCC3)cn2)CC1,XTMWNAALRLTDDS-UHFFFAOYSA-N
-rxn:5:193382:223312:226661,CN1CCN(c2csc(-c3cc(-c4ccc(C5CNC5)cc4)ccc3S(=O)(=O)N3CCOCC3)c2)CC1,AEPZZCMGPLSOKS-UHFFFAOYSA-N
-rxn:5:193382:225868:223064,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,AFTIEFLPHJIXPB-UHFFFAOYSA-N
-rxn:5:193382:226330:226661,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)s1)N1CCCC1,HRJOCNHTYBAIDE-UHFFFAOYSA-N
-rxn:5:193382:226643:223142,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,ZSXXMFWBMLNVNP-UHFFFAOYSA-N
-rxn:5:193382:227438:225640,CC1CCCCN1c1cc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCOCC2)ccn1,AALZCUOGGCJFHY-UHFFFAOYSA-N
-rxn:5:193462:226847:227767,CCn1cc(-c2ccc(-c3cc(C(F)(F)F)cnc3SC)cc2CN2CCC(=O)CC2)c(C(F)(F)F)n1,XWJLWRSNYJMPRE-UHFFFAOYSA-N
-rxn:5:193463:226064:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(C5CCCCC5)cc4)ccc3CN3CCC(=O)CC3)c2)CC1,NGOIKXGYIAKDBF-UHFFFAOYSA-N
-rxn:5:193463:227438:222983,O=C1CCN(Cc2ccc(-c3ccnc(C4CCOC4)c3)cc2-c2cccc(CN3CCC(O)C3)c2)CC1,COSGMHQOPVUVJT-UHFFFAOYSA-N
-rxn:5:193465:225618:227547,Cc1cc(-c2cccc(C(=O)N3CCC[C@@H]3C)c2-c2cccc(OC3CCCCO3)c2)ccc1OC(F)F,AVXNIRSTHJWUJZ-QDLLFRBVSA-N
-rxn:5:193506:223016:223139,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCNCC4)nc3)c2)cc2[nH]ccc12,VDNIIVUQHXVKQA-UHFFFAOYSA-N
-rxn:5:193506:223065:228580,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cccnc2C2CC2)CC1,JXPREDVCOZWDQV-UHFFFAOYSA-N
-rxn:5:193506:223286:227656,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)c1,SLUNJNBEJPJJLJ-UHFFFAOYSA-N
-rxn:5:193506:223288:223135,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccnc3C3CCCNC3)c2)c1,OKHGJFVTMAGYMC-UHFFFAOYSA-N
-rxn:5:193506:223311:225607,CC(c1ccc(-c2cc(-c3cccc(C4CNC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCCC1,KZVAKXDOKHXTMT-UHFFFAOYSA-N
-rxn:5:193506:225633:228445,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2-c2c(F)cccc2C(F)F)CC1,IPBUUMNZFHZOEU-UHFFFAOYSA-N
-rxn:5:193506:225834:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2cc(C3CC3)cs2)CC1,VWITVJQUTAETSY-UHFFFAOYSA-N
-rxn:5:193506:226181:228079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCCCC4)nc3)cc2-c2cccc3c2COC3=O)CC1,HFHLVZJOZYUWSO-UHFFFAOYSA-N
-rxn:5:193506:226330:223201,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CCNC3)c2)s1)N1CCCC1,AFRCJFLYFQQJFN-UHFFFAOYSA-N
-rxn:5:193506:226414:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2c(C3CC3)ccnc2F)CC1,TXAWYMRCDLMGLB-UHFFFAOYSA-N
-rxn:5:193506:226679:228628,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cc(C3CCC3)cs2)CC1,UYYPZGBKRBPQKV-UHFFFAOYSA-N
-rxn:5:193506:227408:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ncc3F)cc2-c2cc(N3CCCC3)cs2)CC1,UKWOPYORSGUCMZ-UHFFFAOYSA-N
-rxn:5:193506:227501:223242,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccnc(C3CCNC3)c2)CC1,UZURUCKUMPBSEO-UHFFFAOYSA-N
-rxn:5:193506:227807:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCCC4)cc2-c2ccnc(N3CCCCC3)c2)CC1,WAWJUNGTGQPEMV-UHFFFAOYSA-N
-rxn:5:193506:227967:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCC3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,LDXGICXROYQZGK-UHFFFAOYSA-N
-rxn:5:193506:228020:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,ZDNUDDLVTQXMQD-UHFFFAOYSA-N
-rxn:5:193506:228020:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2cnc(N3CCSCC3)nc2)CC1,XXCHOCKAMILJEU-UHFFFAOYSA-N
-rxn:5:193506:228079:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2cnc(N3CCCC3)cc2F)CC1,SKESIAYVHBKAMD-UHFFFAOYSA-N
-rxn:5:193506:228207:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2ccc(N3CCNCC3)cc2)CC1,PYOQKLFZSJISCQ-UHFFFAOYSA-N
-rxn:5:193506:228214:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccc(N3CCNCC3)cc2)CC1,AMDZMSUMPGNWBG-UHFFFAOYSA-N
-rxn:5:193506:228214:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,IEPUWELQWIOBII-UHFFFAOYSA-N
-rxn:5:193506:228214:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,XSWXOBIYMWKWEC-UHFFFAOYSA-N
-rxn:5:193506:228223:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2ccc(N3CCNCC3)cc2)CC1,SFVOKHLSJLMEPG-UHFFFAOYSA-N
-rxn:5:193506:228223:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,IHDNBKUHLPDKKU-UHFFFAOYSA-N
-rxn:5:193506:228292:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,CIUQQJNGYXVEPH-UHFFFAOYSA-N
-rxn:5:193506:228292:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,ARVGMUQKMUMYPE-UHFFFAOYSA-N
-rxn:5:193506:228292:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,JJTXBPDBJRJYQR-UHFFFAOYSA-N
-rxn:5:193506:228504:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCC4)cc2-c2ccc(N3CCCCCC3)nc2)CC1,NQZBLXAEEFAYSA-UHFFFAOYSA-N
-rxn:5:193506:228527:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCC4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,XOZNFDGARZMYHA-UHFFFAOYSA-N
-rxn:5:193537:222409:222405,COc1ccc(-c2c(CN3CCCCC3)cccc2-c2cccc(C3NC(=O)NC3=O)c2)cc1S(N)(=O)=O,CWFALQAVJAULPQ-UHFFFAOYSA-N
-rxn:5:193538:223135:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1cccnc1C1CCCNC1,MIGMXVZGZMEUMG-UHFFFAOYSA-N
-rxn:5:193598:223089:225454,CC1CN(C(=O)c2cc(-c3ccc4[nH]c(C(F)(F)F)nc4c3)ccc2-c2ccc(C3=CCN(C)CC3)cc2)CCO1,SOIMDKNNLGYTEM-UHFFFAOYSA-N
-rxn:5:193598:223252:225831,Cc1cc(-c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2C(=O)N2CCOC(C)C2)cnc1N1CCOCC1,YPJRAENNRLUENB-UHFFFAOYSA-N
-rxn:5:193598:226046:227350,COc1cc(C)cc(OC)c1-c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1C(=O)N1CCOC(C)C1,SBBPSKZSDHHHDS-UHFFFAOYSA-N
-rxn:5:193598:226590:225834,CC1CN(C(=O)c2cc(-c3ccc(OC4CCOC4)nc3)ccc2-c2cc(N3CCCCC3)ncc2F)CCO1,AIGMWZGHNNTYTL-UHFFFAOYSA-N
-rxn:5:193681:225985:226395,CN1CCC(Oc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(N3CCCCC3)c2)CC1,GPIGXWNUUSCJMG-UHFFFAOYSA-N
-rxn:5:193681:225985:227376,CN1CCC(Oc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(N3CCCC3)c2)CC1,GVFCUTVNXQYRMC-UHFFFAOYSA-N
-rxn:5:193681:226395:225985,CN1CCC(Oc2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,OBXOYSUZTKWFNS-UHFFFAOYSA-N
-rxn:5:193681:227376:225985,CN1CCC(Oc2cc(-c3cncc(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,BVHWSVIMMGERPH-UHFFFAOYSA-N
-rxn:5:193749:227544:223056,COC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(C(=O)N2CCCCC2C)c1,SINHONWTGCTUSU-UHFFFAOYSA-N
-rxn:5:193756:225605:226843,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)nc3)c2)c1,NNWLLMIVCNLTHJ-UHFFFAOYSA-N
-rxn:5:193756:225605:227960,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccncc3C3CCC3)c2)c1,QIRCPCXRVGETGU-UHFFFAOYSA-N
-rxn:5:193756:225640:227094,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3C)c2)cc1-c1cnccc1C1CCCC1,QHTWSJMJQDPFCW-UHFFFAOYSA-N
-rxn:5:193756:225818:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C2CC2)ccc1C(=O)N1CCCCC1C,LXEIZIUYSCBVAT-UHFFFAOYSA-N
-rxn:5:193756:225849:227089,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccncc1C1CCCC1,DGYBZBAJRPXRAM-UHFFFAOYSA-N
-rxn:5:193756:226679:226366,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccnc(N2CCCCC2)c1,JNVNDBWXVRNBBK-UHFFFAOYSA-N
-rxn:5:193756:226744:225940,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C(F)(F)F)cnc3C3CC3)c2)cnc1C(F)(F)F,LSDGZNRZDXGNIP-UHFFFAOYSA-N
-rxn:5:193756:226745:222981,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(NC3CCCCC3)c2)c1,JDINNOCABMTCFB-UHFFFAOYSA-N
-rxn:5:193756:227387:225808,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cc(OC2CCCC2)ncc1F,AADIKIGMRPTVLV-UHFFFAOYSA-N
-rxn:5:193807:226415:226142,CC1CCN(Cc2cccc(-c3cccc(OC4CCCC4)c3)c2-c2ccccc2N2CCOCC2)CC1,QGWYHRNTAHIQIW-UHFFFAOYSA-N
-rxn:5:193808:225498:227348,COc1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2CN2CCC(C)CC2)c(C)c1OC,MHUKQPOBLCNFTL-UHFFFAOYSA-N
-rxn:5:193866:226058:226907,CC(C)c1cccc(C(C)C)c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cccc2c1CCC21CC1,GQDMPAOZAAWEQH-UHFFFAOYSA-N
-rxn:5:193866:228562:226589,CCC(C)c1csc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cc(C(F)F)ncc2C(C)C)c1,DFJPCSCYTFKYNB-UHFFFAOYSA-N
-rxn:5:193866:228921:225456,CN1CCC(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccc(C(F)F)nc3)cc2)CC1,OWSMGUGRCYWFQP-UHFFFAOYSA-N
-rxn:5:193867:227792:227799,O=C1CCN(C2(c3cc(-c4cnc(C(F)(F)F)c(F)c4)cc(-c4ccnc(C(F)(F)F)c4F)c3)CC2)CC1,PCEFSZXUBLDUNW-UHFFFAOYSA-N
-rxn:5:193869:225633:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,DSANMNLHSHJYID-UHFFFAOYSA-N
-rxn:5:193869:225656:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCCCC4C)c3)cc2C)c1,FYSIKKXXFHKUPB-UHFFFAOYSA-N
-rxn:5:193869:226757:226922,Cc1cc(-c2cc(C)c(-c3c(C)cc(C4CC4)cc3C)cc2S(=O)(=O)N2CCCCC2)ccc1OC(F)(F)F,PYVLNKHSOQHLEA-UHFFFAOYSA-N
-rxn:5:193869:227506:227438,Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CCOC2)c1,LEFLFRVHEDGQBR-NTEUORMPSA-N
-rxn:5:193869:228883:225636,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,VZMSZYSHBSTIHY-UHFFFAOYSA-N
-rxn:5:193869:228888:225636,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,YGJZPLKBXHRAEE-UHFFFAOYSA-N
-rxn:5:193870:225633:228637,Cc1cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,WYNUJWOPKLMLFC-UHFFFAOYSA-N
-rxn:5:193872:225639:226764,COC(=O)c1c(F)ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccnc2N2CCC(C)CC2)c1F,VJEUZGPSBDZWAH-UHFFFAOYSA-N
-rxn:5:193889:225633:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,RTCJVUACAPTHDE-UHFFFAOYSA-N
-rxn:5:193932:225450:227076,CCC(C)c1ccc(F)c(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2ccc(C(=O)C3CCCC3)cc2)c1,VTTWRBCOLMTWIM-UHFFFAOYSA-N
-rxn:5:193968:227688:227543,COC(=O)c1cc(-c2ccc(-c3cc([N+](=O)[O-])ccc3OC)cc2CN2CCC3(CC2)OCCO3)ccc1F,INVQFGZTESAMOH-UHFFFAOYSA-N
-rxn:5:193972:225633:229041,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1F,VOBUOJQHLMVXFM-UHFFFAOYSA-N
-rxn:5:193972:225636:229099,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,HWOHCSUSAKQLSG-UHFFFAOYSA-N
-rxn:5:193972:225636:229107,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cncc1F,VGYIXHACXGNASV-UHFFFAOYSA-N
-rxn:5:193972:225655:229099,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,JHMDVMAPZCRAPO-UHFFFAOYSA-N
-rxn:5:193972:226364:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)nc3)cc2C)c1,DJUSCVKQYIFNGH-UHFFFAOYSA-N
-rxn:5:193972:226366:228637,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(C)cc1F,ZFWKUZQHTQLOEU-UHFFFAOYSA-N
-rxn:5:193972:226395:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)c1,MCOWYSGXXYPJFP-UHFFFAOYSA-N
-rxn:5:193972:227408:228974,Cc1cc(-c2cc(C3CCC3)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(S(C)(=O)=O)c1,RIJYRXFNCYWPPH-UHFFFAOYSA-N
-rxn:5:193972:228637:226366,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1F,YUJRIPNAPZEAEP-UHFFFAOYSA-N
-rxn:5:193972:228719:226395,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,CTBHDZRSIPJGOA-UHFFFAOYSA-N
-rxn:5:193972:228974:227408,Cc1cc(-c2cnn(S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CCC2)ncc1F,UBTFJXJGKSXWIZ-UHFFFAOYSA-N
-rxn:5:193972:228989:225633,Cc1cc(-c2c(C)cccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,CJZKMUMEEFNLHE-UHFFFAOYSA-N
-rxn:5:194058:223002:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCOCC1,ZPWNSYWSFZWGCS-UHFFFAOYSA-M
-rxn:5:194058:223008:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCNCC3)ccc2F)s1)N1CCOCC1,QWSLVABSAOSMEW-UHFFFAOYSA-M
-rxn:5:194058:223054:225980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCC(O)C1,SJXOXXRMNLBZTJ-UHFFFAOYSA-M
-rxn:5:194058:223065:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCOCC1,FRRFDOYKKLSOQB-UHFFFAOYSA-M
-rxn:5:194058:225454:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3=CCN(C)CC3)cc2)s1)N1CCCCC1,KUIRXCYLYNYGHD-UHFFFAOYSA-M
-rxn:5:194058:225607:225576,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCCCC1,OKBDMQVDKUWJFG-UHFFFAOYSA-M
-rxn:5:194058:225607:225632,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCN(C)CC3)c2)s1)N1CCCCC1,UNWULNAIAAMSKU-UHFFFAOYSA-M
-rxn:5:194058:225607:225980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCCCC1,IGUCCLSUHLWVBY-UHFFFAOYSA-M
-rxn:5:194058:225632:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(N3CCN(C)CC3)c2)s1)N1CCCCC1,VXCRABURJYNUMF-UHFFFAOYSA-M
-rxn:5:194058:225636:225607,CC1CCN(c2cc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)ccn2)CC1,LYJQYUGULWGHHZ-UHFFFAOYSA-M
-rxn:5:194058:225638:225607,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)cn2)CC1,IZDVSSSGRVIXEE-UHFFFAOYSA-M
-rxn:5:194058:225666:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCCCC1,GJAXNKDTYNHBPX-UHFFFAOYSA-M
-rxn:5:194058:225805:225849,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCOCC1,LYQXPAALPSMVTH-UHFFFAOYSA-M
-rxn:5:194058:225805:226425,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3C)s2)s1)N1CCOCC1,DBVHFOPELBMHSJ-UHFFFAOYSA-M
-rxn:5:194058:225832:226661,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cc(N2CCN(C)CC2)cs1,CYGGVFARITXSFQ-UHFFFAOYSA-M
-rxn:5:194058:225834:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCCCC1,XNICQGKCRSWARP-UHFFFAOYSA-M
-rxn:5:194058:225834:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCOCC1,FUTSJNFDZWEZNH-UHFFFAOYSA-M
-rxn:5:194058:225980:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCCCC1,AKFUZGJKWYDJIX-UHFFFAOYSA-M
-rxn:5:194058:226425:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3C)s2)s1)N1CCOCC1,UFMCDOSCGGISCZ-UHFFFAOYSA-M
-rxn:5:194058:226662:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCN(C)CC2)s1,CBSXCNHWYQNWSY-UHFFFAOYSA-M
-rxn:5:194561:226736:226732,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)N2C3CCC2COC3)c1,SGAXJJRFLPNAQW-UHFFFAOYSA-N
-rxn:5:194575:226662:223147,CN1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCc4sc(-c5ccc(C6CNCCO6)cc5)cc4C3)s2)CC1,KLMUAMLQCPSIQU-UHFFFAOYSA-N
-rxn:5:194767:226395:223065,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3ccc(N4CCNCC4)cc3F)C2)c2ccccc21,ANKRAHOYOCQVLF-UHFFFAOYSA-N
-rxn:5:194767:227296:227892,CN(C)Cc1ccc(-c2ccc(-c3ccc(OC4CCC4)nc3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1,XGDDTAAOMSBZHS-UHFFFAOYSA-N
-rxn:5:194767:228695:225884,CN(C)Cc1cc(-c2ccc(-c3ccc(C4COCCO4)c(F)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cs1,HNZIKTZWUHPIGB-UHFFFAOYSA-N
-rxn:5:194782:228517:227517,CC#Cc1ccccc1-c1ccc(-c2ccc(OC3COC3)nc2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,IKVQNBLALMNQBJ-UHFFFAOYSA-N
-rxn:5:194782:228870:226914,COC(=O)c1csc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,MEGGXIQSWORXAO-UHFFFAOYSA-N
-rxn:5:194791:227293:223460,Cc1nc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cncc(OC(C)(C)C)c5)C(=O)C34)cc2)c[nH]1,AXBQBGPOARRRHW-UHFFFAOYSA-N
-rxn:5:194792:227325:223014,COC(=O)c1cccc2[nH]c(-c3ccc(N4C(=O)C5C(c6ccc(-c7ccc(OC(C)(C)C)nc7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)cc12,XHSLSUDXTRIIQK-UHFFFAOYSA-N
-rxn:5:194792:227573:227376,CCOc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(N7CCCC7)c6)cc5)C(=O)C34)cc2)cc(F)c1F,FVZOYYFZIANIOS-UHFFFAOYSA-N
-rxn:5:196408:225636:225985,CC1CCN(c2cc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NOCCO3)ccn2)CC1,VWNZQXKCJSUSND-UHFFFAOYSA-N
-rxn:5:196408:225639:225985,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)CC1,ROACINSNVDQTRZ-UHFFFAOYSA-N
-rxn:5:196408:225986:225652,CC1CCCN(c2cncc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)C1,KPVJLWLPVSNRPH-UHFFFAOYSA-N
-rxn:5:196408:225986:225656,CC1CCCCN1c1cncc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,HCKUAALOHMTJEB-UHFFFAOYSA-N
-rxn:5:196791:223006:225655,CC1CCN(c2cncc(-c3c(-c4ccc(F)c(C5CCNCC5)c4)cccc3N3CCOCC3=O)c2)CC1,ACQPDQQTOKHFDL-UHFFFAOYSA-N
-rxn:5:196795:226412:225634,Cc1cc(-c2ccc(N3CCOCC3=O)cc2-c2cc(F)cc(N3CCCC3)c2)cnc1N1CCCCC1,MAWPJKOJWWVNLM-UHFFFAOYSA-N
-rxn:5:196858:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,DSYBFODCCHNVSP-UHFFFAOYSA-N
-rxn:5:196858:226686:223063,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1cc(F)nc(C2CCNCC2)c1,RCBIDSXAJJNMKG-UHFFFAOYSA-N
-rxn:5:196871:223140:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(N2CCOCC2)c1,IFSNROKRROSIHK-UHFFFAOYSA-N
-rxn:5:196917:225834:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,HFMVXTZFIZKMET-UHFFFAOYSA-N
-rxn:5:196917:225985:226395,CC1(C)COC(c2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JTCLBOBSDGXBPC-UHFFFAOYSA-N
-rxn:5:196917:225985:226664,CC1(C)COC(c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JBHHHBSDGIACKJ-UHFFFAOYSA-N
-rxn:5:196917:226395:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(N3CCCCC3)c2)=N1,NMCCGYHNXYFMDV-UHFFFAOYSA-N
-rxn:5:196917:226658:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCC3)nc2F)=N1,WVALSUKPHPLQNJ-UHFFFAOYSA-N
-rxn:5:196917:226664:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cc(N3CCCC3)ncc2F)=N1,IFVUVKKWFLFUHG-UHFFFAOYSA-N
-rxn:5:196919:225985:226395,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cncc(N3CCCCC3)c2)=N1,ALZOMBVCEIABCO-UHFFFAOYSA-N
-rxn:5:196919:225985:226658,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCC3)nc2F)=N1,KFBSYBDJNHZOJF-UHFFFAOYSA-N
-rxn:5:196919:226395:225985,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QFLPBYKEQMWQBA-UHFFFAOYSA-N
-rxn:5:196919:226664:225985,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,LPYOOZMWSQOMHF-UHFFFAOYSA-N
-rxn:5:196971:222996:226652,Cc1cc(-c2cc(-c3ccc(F)cc3C3CCCNC3)ncc2C2CCCCC2)n(C2CCCCO2)n1,SRKWAORSAQVZFC-UHFFFAOYSA-N
-rxn:5:196971:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)ncc1C1CCCCC1,QRCHWKBDSNDJQU-UHFFFAOYSA-N
-rxn:5:196971:225638:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCC(C)CC3)nc2)ncc1C1CCCCC1,MVXSUFXPKHHUCY-UHFFFAOYSA-N
-rxn:5:196971:226067:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3=CCCCC3)cc2)ncc1C1CCCCC1,FINWYVXWOAVGBQ-UHFFFAOYSA-N
-rxn:5:196977:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cnccc1C1CCCNC1,OPMPIDQVBMRTGG-UHFFFAOYSA-N
-rxn:5:196978:222989:225986,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)c(-c2ccccc2N2CCCS2(=O)=O)c1,QIBHKPSEFPXNSI-UHFFFAOYSA-N
-rxn:5:196979:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCCC2)cc(N2CCCCC2)c1,JNZPQWNAIVGFBU-UHFFFAOYSA-N
-rxn:5:197876:223018:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc3c(c1)NC(=O)C(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,PSRGRMSNMHWRFS-UHFFFAOYSA-N
-rxn:5:197876:226058:226181,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3=CCCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,BQPKQOOZJPNXMN-UHFFFAOYSA-N
-rxn:5:197876:226190:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IAVZGIUWABSGBN-UHFFFAOYSA-N
-rxn:5:197876:226320:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(C5(C#N)CC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,VYJTYBZCCXMOAC-UHFFFAOYSA-N
-rxn:5:197876:226781:225797,Cc1cc(OC(F)(F)F)cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BGVGCNWYFGFHRP-UHFFFAOYSA-N
-rxn:5:197876:227408:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SPYAVJXPOFXPJU-UHFFFAOYSA-N
-rxn:5:197876:228348:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(N(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ACANTAFJYVZEJB-UHFFFAOYSA-N
-rxn:5:227901:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc(CC(C)C)nc2)CCC(=O)CC1,ZWYDLMMYIXDASX-UHFFFAOYSA-N
-rxn:5:227901:178295:226907,COC(=O)C1(c2cc(-c3cccc4c3CCC43CC3)ccc2-c2ccc(CC(C)C)nc2)CCC(=O)CC1,UDPNXEDCVKKNCR-UHFFFAOYSA-N
-rxn:5:227906:178295:227331,CCC(C)c1ncccc1-c1ccc(-c2c(F)cccc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JIUPWVWCDUWTIU-UHFFFAOYSA-N
-rxn:5:227909:178295:228002,CCC(C)c1cc(-c2ccc(-c3sccc3C3CCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,AZNLQRUVSCAFDS-UHFFFAOYSA-N
-rxn:5:227922:178295:227337,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)ccc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,SCLFIRCNIRECFQ-UHFFFAOYSA-N
-rxn:5:227932:178295:226058,COCc1ccc(C)c(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VUTUWUCOQFJMAD-UHFFFAOYSA-N
-rxn:5:227937:178295:223289,CNS(=O)(=O)c1ccccc1-c1ccc(-c2cccc(SC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,QHFSWORMASQLFI-UHFFFAOYSA-N
-rxn:5:227941:178295:226916,COCc1cc(C)cc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HLODGHMLEZQBFY-UHFFFAOYSA-N
-rxn:5:227941:178295:227120,COCc1cc(C)cc(-c2ccc(-c3ccc(C4CCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QJSOGWPAHOIBME-UHFFFAOYSA-N
-rxn:5:227942:178295:227108,CCc1ccc(-c2ccc(-c3cc(C4CCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,MZEFSOLUEQDKLU-UHFFFAOYSA-N
-rxn:5:227946:178295:227050,COC(=O)C1(c2cc(-c3ccc(OC(C)C)c(C)c3)ccc2-c2ccc(C(C)(C)C)nc2)CCC(=O)CC1,IGSZFKWZFKHHBE-UHFFFAOYSA-N
-rxn:5:227955:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(C)cnc2C(C)C)CCC(=O)CC1,SXHXRFUASQROCX-UHFFFAOYSA-N
-rxn:5:227956:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C)nc(C(C)C)c2)CCC(=O)CC1,MYPXQNSOEXFOCH-UHFFFAOYSA-N
-rxn:4:173281:224885,CC1CCN(Cc2ccccc2-c2ccc(OC(F)(F)F)cc2OCC(F)(F)C(F)(F)F)CC1,NCMROHSFFFVBTQ-UHFFFAOYSA-N
-rxn:4:173401:224420,COC(=O)C(C(=O)OC)c1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc1OC,FSAQZTOBQVGKBM-UHFFFAOYSA-N
-rxn:4:173433:222684,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,PEFDHCVJEOEBCJ-UHFFFAOYSA-N
-rxn:4:173514:223810,COc1ccc(COc2cc(OC)c(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cc2OC)cc1,BLKCWFLRRDNVHT-UHFFFAOYSA-N
-rxn:4:173579:222684,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c1,PMGAYNMYWGPZSK-UHFFFAOYSA-N
-rxn:4:173590:222632,CCCCOc1c(-c2cccc(C(=O)NCCN3CCCC3)c2)cc(C(C)(C)C)cc1C(C)(C)C,UWDBUBVXRMNRNJ-UHFFFAOYSA-N
-rxn:4:173596:222799,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C)c1,FQWBKJYAVDEMMG-UHFFFAOYSA-N
-rxn:4:173596:225515,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc2c1OCC(C)(C)CO2,WUHFLHKFQFXJBN-UHFFFAOYSA-N
-rxn:4:173653:222684,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc1)C2=O,OPBPVQSBFTUKGH-UHFFFAOYSA-N
-rxn:4:173659:222684,Cc1oc2ccc(OC(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)cc2c1C(=O)OC(C)C,XKKQGJSDVNCJJQ-UHFFFAOYSA-N
-rxn:4:173680:227038,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)C)ccc3OC)c(OC(=O)C3CCCCC3)cc12,HASPXSWTRKNMNC-UHFFFAOYSA-N
-rxn:4:173704:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)c3c(OC)cccc23)cc1,QOOHXPSLEALHMF-UHFFFAOYSA-N
-rxn:4:173723:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,ZYRQLTKBAHQLOW-UHFFFAOYSA-N
-rxn:4:173723:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,UTSPJYIGOZFSTD-UHFFFAOYSA-N
-rxn:4:173723:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,HCMFKABVKVKZCI-UHFFFAOYSA-N
-rxn:4:173723:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,LAWCQUFESBRRPB-UHFFFAOYSA-N
-rxn:4:173723:223698,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1,SQLYZOOGEIQBLM-UHFFFAOYSA-N
-rxn:4:173723:223770,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc2c(C#N)cccc21,ZTQWEOUVWBRQIY-UHFFFAOYSA-N
-rxn:4:173723:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc21,JULNJOPZCGAXAJ-UHFFFAOYSA-N
-rxn:4:173723:224087,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(OCCN3CCCCCC3)c2)cc1,FUMSQPKKEHFDPW-UHFFFAOYSA-N
-rxn:4:173723:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1)C1CCCCC1,DNAGYJMVQREHTH-UHFFFAOYSA-N
-rxn:4:173723:224326,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCCCC1,MCXREFRSNYALIU-UHFFFAOYSA-N
-rxn:4:173723:224686,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1,SPNYNHCVGAIGFL-UHFFFAOYSA-N
-rxn:4:173723:224691,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)cc1,VOAHXSCKCWRHLV-UHFFFAOYSA-N
-rxn:4:173723:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,PQRQLLUZNCHESM-UHFFFAOYSA-N
-rxn:4:173723:224766,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1,ITDAFMUZTSEKAF-UHFFFAOYSA-N
-rxn:4:173723:224804,CC(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1OC(F)(F)F,QKFQNEQAMGBFNX-UHFFFAOYSA-N
-rxn:4:173769:223835,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(OCC(F)F)c1,POLYKBXELJOJIX-UHFFFAOYSA-N
-rxn:4:173801:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)C(F)F)cc3C(F)(F)F)cc2)CC1,KBWZIIBGQQPDCU-UHFFFAOYSA-N
-rxn:4:173802:222453,O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,GIZWALWTLCFFQA-UHFFFAOYSA-N
-rxn:4:173802:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1C(F)(F)F,PWPZRPURELBMIR-UHFFFAOYSA-N
-rxn:4:173802:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,PZTINRBDOKQHRD-UHFFFAOYSA-N
-rxn:4:173802:222655,O=C(NC1CCCCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl,JTLDIVNXNZEVQC-UHFFFAOYSA-N
-rxn:4:173802:222684,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,NHCGYSGVXVIWAH-UHFFFAOYSA-N
-rxn:4:173802:222878,CC(C)(C)NC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,LQTCQMAAINWCDU-UHFFFAOYSA-N
-rxn:4:173802:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cs1,KDRIAROHWNZRHA-UHFFFAOYSA-N
-rxn:4:173802:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,YBKDXDKSHLJTER-UHFFFAOYSA-N
-rxn:4:173802:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,SEWSKODJYASBLD-UHFFFAOYSA-N
-rxn:4:173802:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2Cl)CC1,LBEFJNSPLCNIJV-UHFFFAOYSA-N
-rxn:4:173802:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,XLQUZIONPOVBDK-UHFFFAOYSA-N
-rxn:4:173802:223586,COc1ccc(COc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc(C(F)(F)F)c2)cc1,FKYNCBGHZDSQBX-UHFFFAOYSA-N
-rxn:4:173802:223599,CC(C)(C)OC(=O)n1c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc2cc(C(F)(F)F)ccc21,IRVPNHWEADDKGR-UHFFFAOYSA-N
-rxn:4:173802:223601,COc1ccc(COc2ncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2C(F)(F)F)cc1,OJHYBHBBUWVFIS-UHFFFAOYSA-N
-rxn:4:173802:223775,COc1ccc2c(c1)c(-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1)cn2C(=O)OC(C)(C)C,OHMXCAGAGGEDMX-UHFFFAOYSA-N
-rxn:4:173802:223810,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,SGDVTXPDINCVRW-UHFFFAOYSA-N
-rxn:4:173802:223818,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)cc(F)c21,YVNGEZZABJOHCK-UHFFFAOYSA-N
-rxn:4:173802:223867,CC1CCN(CCCOc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,IXZSJNRLDWRYFZ-UHFFFAOYSA-N
-rxn:4:173802:224153,O=S(=O)(OC(c1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,DMLMDXHKIBIXRR-UHFFFAOYSA-N
-rxn:4:173802:224267,O=S(=O)(OC(c1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1)C(F)(F)F)C(F)(F)F,ITFPOZNMHUMLLS-UHFFFAOYSA-N
-rxn:4:173802:224283,CC(C)(C)Oc1ncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(OC(C)(C)C)n1,KLFNUXSLFCAXMZ-UHFFFAOYSA-N
-rxn:4:173802:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,QXZOTCFQRFPPDB-UHFFFAOYSA-N
-rxn:4:173802:224365,CCCCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1F,LRBCIJTZSLRDOC-UHFFFAOYSA-N
-rxn:4:173802:224575,CC1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(C#N)c2)CC1,SWXUESVKMHDGFG-UHFFFAOYSA-N
-rxn:4:173802:224593,CC1CCN(Cc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2F)CC1,WJZLJQDWVWVQME-UHFFFAOYSA-N
-rxn:4:173802:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,HLKUOOLANRVHPV-UHFFFAOYSA-N
-rxn:4:173802:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,POPRBHCJEOREAH-UHFFFAOYSA-N
-rxn:4:173802:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,FHPHEOURHWJWRW-UHFFFAOYSA-N
-rxn:4:173802:224615,O=S(=O)(OC(c1ccc(-c2cccc(OCCN3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,YSFDNDJYQYYPOT-UHFFFAOYSA-N
-rxn:4:173802:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C2CC2)n1,MANFXNWKRFHDKJ-UHFFFAOYSA-N
-rxn:4:173802:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,DYNASNUKKGDEMY-UHFFFAOYSA-N
-rxn:4:173802:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,PDADEQYRWIXPLZ-UHFFFAOYSA-N
-rxn:4:173802:224865,O=S(=O)(OC(c1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,ZCARNFOXIOWXTL-UHFFFAOYSA-N
-rxn:4:173802:224973,CN1CCN(Cc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,FMHYTUGCUBJZMT-UHFFFAOYSA-N
-rxn:4:173802:225005,CC(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1,JPHAMPVTDYUIJH-UHFFFAOYSA-N
-rxn:4:173802:225091,CCCCOc1c(OC)ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,WUQVEZUCQMASHY-UHFFFAOYSA-N
-rxn:4:173802:225105,CCN(CC)C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,UJWKWKFHMRXFMP-UHFFFAOYSA-N
-rxn:4:173802:225106,CCN(CC)C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl,IRNWPJBQBPWFCF-UHFFFAOYSA-N
-rxn:4:173802:225274,COCCOc1c(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C)c1F,NQFTUOJHKMPXIS-UHFFFAOYSA-N
-rxn:4:173802:225283,CCC(C)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1C(F)(F)F,FUBBIRBOBHLAKU-UHFFFAOYSA-N
-rxn:4:173802:225355,COC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,CVNMFDRFOGKLBS-UHFFFAOYSA-N
-rxn:4:173802:225380,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,CNLOTDUVKRPVQN-UHFFFAOYSA-N
-rxn:4:173802:225383,O=S(=O)(OC(c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,PTWUUAMMIAZPAQ-UHFFFAOYSA-N
-rxn:4:173802:225454,CN1CC=C(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,JDRWNGDVENKKDW-UHFFFAOYSA-N
-rxn:4:173802:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,XYJPVZZGKXPCKF-UHFFFAOYSA-N
-rxn:4:173802:225517,CN(C)CCCOc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GBOPYUBATVHLST-UHFFFAOYSA-N
-rxn:4:173802:225597,O=S(=O)(OC(c1ccc(-c2ccc(OC3CCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,VIGBRBRYVUEUMI-UHFFFAOYSA-N
-rxn:4:173802:225671,O=S(=O)(OC(c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,RWCXXJLVNUXYMY-UHFFFAOYSA-N
-rxn:4:173802:225715,COCCOCc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,UKQYDZPWCFDZQG-UHFFFAOYSA-N
-rxn:4:173802:225718,COC(COc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)OC,YPFIKFUKDDRBBN-UHFFFAOYSA-N
-rxn:4:173802:225722,CN(C)CCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,NERYLPMHJZDYNL-UHFFFAOYSA-N
-rxn:4:173802:225756,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(C)C)cn1,QNYQSNRHHAKZLZ-UHFFFAOYSA-N
-rxn:4:173802:225798,O=S(=O)(OC(c1ccc(-c2ccc(OC3CCOCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,LJNBWVWZKOXJMC-UHFFFAOYSA-N
-rxn:4:173802:225811,O=S(=O)(OC(c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1)C(F)(F)F)C(F)(F)F,NRGUFIUBYOFZSK-UHFFFAOYSA-N
-rxn:4:173802:225827,CN1CCN(c2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccn2)CC1,XFGIJKJRMPJOOS-UHFFFAOYSA-N
-rxn:4:173802:225867,O=S(=O)(OC(c1ccc(-c2cnc(Cl)c(N3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,RGYDHPWLVHKYRW-UHFFFAOYSA-N
-rxn:4:173802:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,HYMGBZBMTABOIW-UHFFFAOYSA-N
-rxn:4:173802:225918,CCOC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)cc1Cl,NKAGBVSHMMLYKX-UHFFFAOYSA-N
-rxn:4:173802:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,HXLQTYHUDJMTQU-UHFFFAOYSA-N
-rxn:4:173802:225994,CCSc1ncc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,YIVJZSWPDUHMAX-UHFFFAOYSA-N
-rxn:4:173802:226002,CC(=O)Oc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1[N+](=O)[O-],NNUATSJCVKRMQF-UHFFFAOYSA-N
-rxn:4:173802:226048,O=S(=O)(OC(c1ccc(-c2c(F)ccc(F)c2OC(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,HSJRTPTVJKKTBS-UHFFFAOYSA-N
-rxn:4:173834:222514,COc1ccc(-c2ccc(OCCOS(C)(=O)=O)cc2)cc1S(=O)(=O)NC1CCCCC1,KTJLDCFPYLFJAM-UHFFFAOYSA-N
-rxn:4:173910:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C(=O)OC)C(=O)OC)cc3)cc2)CC1,CCFDQLHXBZRLJG-MEMLXQNLSA-N
-rxn:4:174243:223697,COC(=O)c1ccc(OCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)cc1,CFGDGYWUDMFNFF-UHFFFAOYSA-N
-rxn:4:174308:223939,COC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c(C)c1,FONBMEVCZFXAIO-UHFFFAOYSA-N
-rxn:4:174310:224198,CCN1CCN(Cc2ccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c(F)c2)CC1,UQGRNILFJPZRKB-UHFFFAOYSA-N
-rxn:4:174406:223564,COC(=O)C1(c2ccc(-c3cc(C)c(COc4cc(OC)cc(OC)c4)c(C)c3)cc2)CC(OC)(OC)C1,BMLKISZDNYPLLF-UHFFFAOYSA-N
-rxn:4:174406:224846,CCC1CCC(c2ccc(-c3ccc(C4(C(=O)OC)CC(OC)(OC)C4)cc3)cc2)CC1,JLBBGQBWLTZCAS-UHFFFAOYSA-N
-rxn:4:174407:222877,COC(=O)C1(c2cccc(-c3ccc(C(=O)NC(C)(C)C)c(Cl)c3)c2)CC(OC)(OC)C1,BFOJPOWYTVAGCN-UHFFFAOYSA-N
-rxn:4:174407:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cccc(C3(C(=O)OC)CC(OC)(OC)C3)c2)c1,FTWYUPTWNURMKS-UHFFFAOYSA-N
-rxn:4:174496:223776,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)c1,CTEVKMLYBSQMIH-UHFFFAOYSA-N
-rxn:4:174497:223929,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)cc1,MYFODOULVVFDJS-UHFFFAOYSA-N
-rxn:4:174502:224997,COc1c(-c2ccc(C(=O)N3CCCCC3)cc2)cc(C(C)(OC)OC)cc1C(C)(C)C,OUJGMBFLKVEBFK-UHFFFAOYSA-N
-rxn:4:174504:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1,TUYBUZMFHBNORI-UHFFFAOYSA-N
-rxn:4:174508:222684,CC1(C)CC(=O)C(Sc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=C(OC(=O)c2ccco2)C1,GJKXTEZKBPIWRD-UHFFFAOYSA-N
-rxn:4:174508:224198,CCN1CCN(Cc2ccc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)c(F)c2)CC1,CMXCNAYIDUSBRE-UHFFFAOYSA-N
-rxn:4:174515:222705,CC(C)[Si](Oc1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1)(C(C)C)C(C)C,OMZZORICZAFUCV-UHFFFAOYSA-N
-rxn:4:174515:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,UJTFGVYKGJYRLI-UHFFFAOYSA-N
-rxn:4:174520:222684,CC(C)(C)OC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,FEGRCVUZLDRZHI-UHFFFAOYSA-N
-rxn:4:174522:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)CC1,WGVUZKZEJZRQOU-UHFFFAOYSA-N
-rxn:4:174528:222636,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,DBCKNTAEQQPGOR-RUZDIDTESA-N
-rxn:4:174528:222844,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(NC(=O)C2CCCC2)c1,HRPJQJIOEIAGAU-UHFFFAOYSA-N
-rxn:4:174574:222754,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(OC)ccc3C(=O)NC(C)(C)C)cc1)C2=O,BKUKMDAFZMSOMZ-UHFFFAOYSA-N
-rxn:4:174593:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,UXKUFCDWLNCLJF-HZCBDIJESA-N
-rxn:4:174655:226844,CCCCCOc1cc2c(cc1-c1ccnc(C(=O)C(F)(F)F)c1)C(C)(C)CCC2(C)C,PTJVOKCHOLGHHF-UHFFFAOYSA-N
-rxn:4:174939:223895,CCOC(=O)c1c(C(F)(F)F)ccc(-c2ccc(OCCN3CCN(CC)CC3)cc2)c1F,CSNYYXQMGOSQPC-UHFFFAOYSA-N
-rxn:4:175163:223753,CC(=O)C(Sc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1)C(C)=O,NBQOCYMEJFELAT-UHFFFAOYSA-N
-rxn:4:175229:223489,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1CC,WRAUIHAJAWMQCB-UHFFFAOYSA-N
-rxn:4:175370:224127,CCN1CCN(C(C)c2ccc(-c3cc(F)c(F)c(OCCC4OCCO4)c3)cc2)CC1,KOGHWOBGOWLBSR-UHFFFAOYSA-N
-rxn:4:175371:224254,CC1CCCN(C(=O)c2cc(-c3cc(F)c(OCCC4OCCO4)cc3F)ccc2F)C1,SPRHDYNEEOQISQ-UHFFFAOYSA-N
-rxn:4:175805:223559,CCOc1ccc(C(C)(C)OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,OWOSBBUMWFBPCB-UHFFFAOYSA-N
-rxn:4:175939:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(COC4CCCCO4)cc3OC)cc2)CC1,KGMCSJPHQOYCOL-ROYFHAAWSA-N
-rxn:4:175996:224616,c1ccc(-c2ccc(OC3CC3)c(SC3CCOCC3)c2)c(OCCN2CCOCC2)c1,LWYPBCUHCLWZDD-UHFFFAOYSA-N
-rxn:4:176125:222684,O=C(Oc1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,FDIZUOIBBDIQEZ-UHFFFAOYSA-N
-rxn:4:176259:223753,COc1ccc(S(=O)(=O)c2cc3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc(OC)c3oc2=O)cc1,DTQAGWRBQSAADR-UHFFFAOYSA-N
-rxn:4:176302:223594,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(Cl)cc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)ccc3C2=O)cc1,RRITYKSMVHBPEA-UHFFFAOYSA-N
-rxn:4:176322:225568,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(C)(C)C(=O)OC)cc2)C(C)(C)CC1(CC)CC,GGOGVAGQDQWRFL-UHFFFAOYSA-N
-rxn:4:176450:223895,CCN1CCN(CCOc2ccc(-c3c(F)cccc3OC(F)(F)C(F)(F)F)cc2)CC1,XIIPQYGCBXXKII-UHFFFAOYSA-N
-rxn:4:176667:223542,CCOC(=O)c1c(F)cc(F)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,GMCALGCBFUXGKF-UHFFFAOYSA-N
-rxn:4:176804:223559,CC(=O)C(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,SCUAQVQLHIMKBK-UHFFFAOYSA-N
-rxn:4:177218:223505,CCc1c(C(=O)OC)ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,IYCGYENVZOVNLE-UHFFFAOYSA-N
-rxn:4:178018:223728,CCCCCC1CCC(c2ccc(-c3cc(OC)c(C4OCCO4)c(OC)c3)c(F)c2)CC1,RRMIGJJGICZXMQ-UHFFFAOYSA-N
-rxn:4:178027:223712,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(C2OCCO2)cc1OC,PFWPFDDQXWTTCO-UHFFFAOYSA-N
-rxn:4:178124:222466,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)c1OC1CCCC1,UTUVLKXZAUONGR-UHFFFAOYSA-N
-rxn:4:178127:223973,CC1CCCN(c2ccc(-c3cc(F)cc(OCC4CCOCC4)c3)c(C(F)(F)F)c2)C1,VALZPHGHCITTIB-UHFFFAOYSA-N
-rxn:4:178288:223772,COC(=O)C1(c2ccc(-c3cc4ccc(OC)cc4n3C(=O)OC(C)(C)C)cc2)CCC(=O)CC1,YCFJUPVBHAZPHR-UHFFFAOYSA-N
-rxn:4:178293:223866,COC(=O)C1(c2ccccc2-c2ccccc2CN2C(C)(C)CCCC2(C)C)CCC(=O)CC1,QRXCOONXSAIFMP-UHFFFAOYSA-N
-rxn:4:178384:226124,COCc1ccc(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,JNKDKEFGSNUHPM-UHFFFAOYSA-N
-rxn:4:178384:226223,CCOCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,HWISSQWQRJWSBV-UHFFFAOYSA-N
-rxn:4:178384:227356,CCOc1cc(F)c(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VOEQZGHVAFKPDY-UHFFFAOYSA-N
-rxn:4:178384:227367,CCOc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,PQKLWJHRFAHWGU-UHFFFAOYSA-N
-rxn:4:178384:227541,CCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,LFSQDDYCRYKRPG-UHFFFAOYSA-N
-rxn:4:178384:228134,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)n1,CKZYFZRETUHRNB-UHFFFAOYSA-N
-rxn:4:178428:223753,Cc1ccc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)cc1OCCCN1CCN(C)CC1,JFUYIFIAUZQYAU-UHFFFAOYSA-N
-rxn:4:178529:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(OC(=O)C(C)(C)C)cc4ccccc34)cc21,XRXPWWCSNAMBBI-UHFFFAOYSA-N
-rxn:4:178594:223139,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(C2CCNCC2)nc1,KUXXUAMJHKFEEG-UHFFFAOYSA-N
-rxn:4:178594:226354,COc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)c(Cl)c(C2CC2)c1,CLHKUVIFOYBGDM-UHFFFAOYSA-N
-rxn:4:178597:229015,CC(C)c1sccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JUERITXRXQTQIZ-UHFFFAOYSA-N
-rxn:4:178705:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)ccc(F)c3OC(F)(F)F)cc2)CC1,NPIGBOGQOMNIFH-UHFFFAOYSA-N
-rxn:4:180609:223755,CC1CCN(CCCOc2ccc(-c3cccc4c3CC(C(=O)C(F)(F)F)C4=O)cc2F)CC1,QOFRQPQTSVXXEB-UHFFFAOYSA-N
-rxn:4:180610:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CC(C(=O)C(F)(F)F)C4=O)c2)CC1,JZRVWJOHOXCECB-UHFFFAOYSA-N
-rxn:4:180815:223550,COc1ccc(-c2ccccc2COc2c(C(C)C)cccc2C(C)C)cc1C12CC3CC(CC(C3)C1)C2,KAWGQTNXPFOVEI-UHFFFAOYSA-N
-rxn:4:180815:224248,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,FSYAQMXXEWBENA-UHFFFAOYSA-N
-rxn:4:180815:225215,COc1ccc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc1C12CC3CC(CC(C3)C1)C2,ROWLBDHQWJQAJU-UHFFFAOYSA-N
-rxn:4:180855:223920,CN(C(=O)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(Cl)c1)C1CCCCC1,XNLUDNOWQOMSJL-UHFFFAOYSA-N
-rxn:4:180856:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c2)C1,IJZUGLWWKCKPDU-UHFFFAOYSA-N
-rxn:4:181642:223602,Cc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc(C(F)(F)F)c1C,RUWOMUCJEBQXKP-UHFFFAOYSA-N
-rxn:4:182265:223895,CCN1CCN(CCOc2ccc(-c3sc(S(C)(=O)=O)c4c3CCCC4=O)cc2)CC1,GXUHWILTCNVGKZ-UHFFFAOYSA-N
-rxn:4:182372:224306,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc1C2=O,KBNSOMRKWNRUEU-AEEMYVKYSA-N
-rxn:4:182372:224462,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc1C2=O,GMYZEYQKUALNJM-XQESHEEFSA-N
-rxn:4:182376:223563,COc1cc(COc2c(C)cc(-c3ccc4c(c3)C(=O)[C@@]3(C4)C[C@@H](C)[C@H](OC)[C@@H](C)C3)cc2C)cc(OC)c1,VULHAIBSLSGZQC-SGORVEQQSA-N
-rxn:4:182376:224592,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5(C#N)CCCCC5)ccc4F)cc3C2=O)C[C@@H]1C,ANIOVIZOXXIGLC-PHGIZGRBSA-N
-rxn:4:182416:227726,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-n3cccn3)nc2)cc1,NPRGUNHTDHLWJI-UHFFFAOYSA-N
-rxn:4:183082:223606,O=C1CCc2c(F)ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2C1,NXEAVJOFHWYSGB-UHFFFAOYSA-N
-rxn:4:183264:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCC43CCC(=O)CC3)c(F)ncc21,GHBNOMWIVOWMTO-UHFFFAOYSA-N
-rxn:4:183483:222540,CCOC(=O)CC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc([N+](=O)[O-])c1,HWYLIDWGHBBBOO-UHFFFAOYSA-N
-rxn:4:183551:222684,CCOC(=O)Cc1ccc(C#N)c(OC)c1-c1ccc(OCCN2CCNCC2)c(Cl)c1,PTWHLTTWFWEFLP-UHFFFAOYSA-N
-rxn:4:183604:224407,CCOc1nc(C(=O)OC)c(F)c(OCC)c1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,UAPCJUMDFQAUIG-UHFFFAOYSA-N
-rxn:4:183704:226844,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,STVYMTNDYNSKHX-ZDUSSCGKSA-N
-rxn:4:183752:222540,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)SC1=S,YQFQSDKMROPIDG-UHFFFAOYSA-N
-rxn:4:183777:222684,CCCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,APIBVTYBLSTNLS-UHFFFAOYSA-N
-rxn:4:183808:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)ccn1)C(F)(F)F,PRCLDUJAMPXDQC-UHFFFAOYSA-N
-rxn:4:183819:224612,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(OCCN3CCOCC3)cc2)c1,KYQFGXWNXXUMAG-UHFFFAOYSA-N
-rxn:4:183823:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1,DSTUKVSLWIYWAB-UHFFFAOYSA-N
-rxn:4:183879:226844,CC(C)(C)OC(=O)N1CC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,XKRLRZJREJOADG-UHFFFAOYSA-N
-rxn:4:183880:222684,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)C1,CJALSPPMXXWTCD-UHFFFAOYSA-N
-rxn:4:183890:223170,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3cnc(C4CCCNC4)nc3)cc2F)C1,QXYDVQXBXKVJQY-UHFFFAOYSA-N
-rxn:4:183912:223279,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,WOPDBYOQGVVFGE-UHFFFAOYSA-N
-rxn:4:183921:224847,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)c(C)c1,SFLGXYIKDKYAKF-UHFFFAOYSA-N
-rxn:4:183940:222540,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1)c1ccccc1,YIZGPRZYZBKKDS-UHFFFAOYSA-N
-rxn:4:183958:222684,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1,IARIORAAWHAKNR-UHFFFAOYSA-N
-rxn:4:183969:223017,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc4cccc(C(=O)OC)c4[nH]3)c(OC)c2)CC1,GUIRLCJTNHUMMI-UHFFFAOYSA-N
-rxn:4:183969:228143,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)cc1Cl,WLCIENLNIPRDQP-UHFFFAOYSA-N
-rxn:4:183976:224585,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N(Cc4ccc(Cl)cc4)CC4CCCO4)cc3)cc2)CC1,UIAWAVNSMNGVOK-UHFFFAOYSA-N
-rxn:4:184001:226560,CCOc1cc(F)c(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)cc1OC,PDJIPRNHVOUFER-UHFFFAOYSA-N
-rxn:4:184018:226844,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JGIMWUVLMHAIFL-UHFFFAOYSA-N
-rxn:4:184023:227228,CC(C)COc1ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,DEKBFSAMDGLWCF-UHFFFAOYSA-N
-rxn:4:184033:226844,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,UYCPRBUQBQRPGI-UHFFFAOYSA-N
-rxn:4:184035:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCC(COCc2ccccc2)C1,BIYNDQHPAVIHHF-UHFFFAOYSA-N
-rxn:4:184060:222684,Cc1ccc(C)c(N2CC(C(=O)OCC(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2=O)c1,TVRHTTTWXVOFLX-UHFFFAOYSA-N
-rxn:4:184061:222684,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)cc1,NQILPJNSDSCYRD-UHFFFAOYSA-N
-rxn:4:184063:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,BGLSCRMZEUMMRA-UHFFFAOYSA-N
-rxn:4:184096:229015,CC(C)c1sccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,RCBMFKJGWFPCLN-UHFFFAOYSA-N
-rxn:4:184097:222890,COc1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,KFIJBNHBLBLEFN-UHFFFAOYSA-N
-rxn:4:184099:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,FZUZHLHCMWKUGJ-UHFFFAOYSA-N
-rxn:4:184099:224908,Cc1cccc(Oc2cccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)c2)c1,AUABFIMGLBSKTI-UHFFFAOYSA-N
-rxn:4:184100:226844,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,WRYDMAJFLOBQMN-UHFFFAOYSA-N
-rxn:4:184190:224760,CC(C)(C)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,BGPCRSKSHYTSJE-UHFFFAOYSA-N
-rxn:4:184216:227256,CCOc1ccc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)c(OC)c1,LZKHLHPDNQQQIR-UHFFFAOYSA-N
-rxn:4:184239:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4oc5c(c(=O)c4c3)C(c3cccc(Cl)c3)N(CCCOC(C)C)C5=O)c2)CC1,CQSUDVZJKQUKKS-UHFFFAOYSA-N
-rxn:4:184249:224330,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)c1OCc1ccccc1,AUSSLDHUYOAMOG-UHFFFAOYSA-N
-rxn:4:184474:222615,CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,OMGWIWCCNJXVEM-UHFFFAOYSA-N
-rxn:4:184553:223941,COC(=O)C(C(=O)OC)c1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cn1,MKMBEUQBGNEYEC-UHFFFAOYSA-N
-rxn:4:184610:222524,COC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,JOGMMKBTHNNOSK-UHFFFAOYSA-N
-rxn:4:184617:223491,CCOC(OCC)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cn1,PTYDPAKVXUUNGU-UHFFFAOYSA-N
-rxn:4:184748:222705,O=C(c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1OCC(F)(F)F)N1CCC1(F)F,KDWCPJIEXCVSDQ-UHFFFAOYSA-N
-rxn:4:184757:223866,CCN(CC)C(=O)Cc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(F)c1,LUEVQJHRWORVCJ-UHFFFAOYSA-N
-rxn:4:184865:222684,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BLGIDULHDBFILY-UHFFFAOYSA-N
-rxn:4:184890:222701,COC(=O)C1CN(Cc2cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)ccc2C(F)(F)F)C1,VYYLCLPNRCYQHD-UHFFFAOYSA-N
-rxn:4:184891:224765,O=C(COc1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)ccc1N1CCCC1)N1CCCC1,JNFYFHKUEKBRJR-UHFFFAOYSA-N
-rxn:4:184897:222604,COc1ccc(-c2ccc(C(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)o2)cc1S(=O)(=O)NC1CCCC1,IADRJSUDVIKCFF-UHFFFAOYSA-N
-rxn:4:184897:224290,O=C(c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,NUEUKCUMLDOMAJ-UHFFFAOYSA-N
-rxn:4:185004:225231,CC1CCCCN1c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)cnc1Cl,CJDFLGYANGZFNU-UHFFFAOYSA-N
-rxn:4:185012:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CC(S(=O)(=O)Cc5ccco5)C4)c3)cc2)CC1,GLHWRHCBYUHLOO-UHFFFAOYSA-N
-rxn:4:185048:222684,FC(F)(F)C1CCN(CCOc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,IZWIVPWUFLDBAZ-UHFFFAOYSA-N
-rxn:4:185079:222684,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,CLHPLBDVNRHNKI-UHFFFAOYSA-N
-rxn:4:185090:224485,CCCC(C(=O)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1)N1CCCC1,CTXGNKUCQLQIFJ-UHFFFAOYSA-N
-rxn:4:185115:224254,CC1CCCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)ccc2F)C1,CMSDNNCOXJMMSR-UHFFFAOYSA-N
-rxn:4:185136:224774,FC(F)(F)c1cc(-c2ccccc2CCCN2CCC(C(F)(F)F)CC2)ccc1N1CCCC1,VFIOXVZSDFUNGX-UHFFFAOYSA-N
-rxn:4:185144:223138,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)CC1,STLWUHQQHYMDBV-UHFFFAOYSA-N
-rxn:4:185159:223279,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cnc(C3CCCN3)nc2)c1,STQVCQJNIZSYKZ-UHFFFAOYSA-N
-rxn:4:185198:226424,COC(=O)c1cc(-c2cc(N3CCCC(C)C3)cs2)ccc1CN1CCC(OC)CC1,GRCGVCNPEAJFPF-UHFFFAOYSA-N
-rxn:4:185242:222684,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,CUZQUEAZLSKTNX-UHFFFAOYSA-N
-rxn:4:185255:222684,COc1ccccc1C(=O)N(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)C1C=CS(=O)(=O)C1,VYVZPBMZQSVWOL-UHFFFAOYSA-N
-rxn:4:185255:223506,COc1ccccc1C(=O)N(c1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)C1C=CS(=O)(=O)C1,APXGGUDVZCXYKW-UHFFFAOYSA-N
-rxn:4:185265:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)c1,XFXAPTAXGGOORD-UHFFFAOYSA-N
-rxn:4:185273:222684,Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)C2CCS(=O)(=O)C2)cc1,FQNLTXIGXCSFLK-UHFFFAOYSA-N
-rxn:4:185277:222684,CCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)cc1,KJKJYIAQFYUJQG-UHFFFAOYSA-N
-rxn:4:185298:222684,CCOc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2=O)cc1OC,FKAGQHZEFQONQW-UHFFFAOYSA-N
-rxn:4:185318:226149,COc1ccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C(C)(C)C,GIIJPXAQZKRCRO-UHFFFAOYSA-N
-rxn:4:185341:222684,O=C(c1ccc(Oc2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCC(C(F)(F)F)C1,HRYUQKSVSHYFSE-UHFFFAOYSA-N
-rxn:4:185348:223168,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cccnc1N1CCNCC1,BIDVKGKBLSNJSN-UHFFFAOYSA-N
-rxn:4:185354:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HJJUCDNHIQCXOM-UHFFFAOYSA-N
-rxn:4:185357:222684,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)CC1,AGBHSHFXANPOEE-UHFFFAOYSA-N
-rxn:4:185357:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,FITNWXNMAOZDOO-UHFFFAOYSA-N
-rxn:4:185363:224063,CC1CCCN(c2cc(-c3ccc(CN4CCC(C(F)(F)F)CC4)c(Oc4ccccc4)c3)cc(C3CC3)c2)C1,NJEYLGWPKVPSTL-UHFFFAOYSA-N
-rxn:4:185367:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(C(C)C)ccc1OCC(=O)N1CCC(C)CC1,MSUQTMCXNMRZJE-UHFFFAOYSA-N
-rxn:4:185381:224388,Cc1nccn1-c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,YDIHQINBAWANCT-UHFFFAOYSA-N
-rxn:4:185384:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)C1,KZNWTBSSYLUBOF-UHFFFAOYSA-N
-rxn:4:185388:224537,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCc4ccccc4F)cc3)cc2C(F)(F)F)C1,PYLHYVIFNYWIAC-UHFFFAOYSA-N
-rxn:4:185393:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1,WHPFHUJAVMPSMS-UHFFFAOYSA-N
-rxn:4:185401:223239,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cncc(C2CCCN2)c1,HTMQSVVXMSLJIZ-UHFFFAOYSA-N
-rxn:4:185401:223279,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cnc(C2CCCN2)nc1,OZHGLRZNNGOEEI-UHFFFAOYSA-N
-rxn:4:185402:227530,CCCOc1ccc(-c2cc(C(=O)OC)ccc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,RWPNFHIAIMBHEO-UHFFFAOYSA-N
-rxn:4:185407:223581,COC(=O)c1cccc2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)n(C(=O)OC(C)(C)C)c12,VLPCQWYEWUPQBY-UHFFFAOYSA-N
-rxn:4:185413:226844,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,ANLNLISZWIRYQM-UHFFFAOYSA-N
-rxn:4:185415:223895,CCN1CCN(CCOc2ccc(-c3ccc(N(C(=O)CC4CCCCC4)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,BYXZRKMPQMJQHJ-UHFFFAOYSA-N
-rxn:4:185417:222684,CC(C)c1ccc(N(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C2C=CS(=O)(=O)C2)cc1,CVOXIQIWCZXJDD-UHFFFAOYSA-N
-rxn:4:185420:226844,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,QUMVNMYSUNHSHY-UHFFFAOYSA-N
-rxn:4:185425:224187,COc1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,ALLZVXQSNPVHOO-UHFFFAOYSA-N
-rxn:4:185430:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1,QVCBGGKGZMPYRC-UHFFFAOYSA-N
-rxn:4:185441:223184,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)CC1,LOWJQJNWPOCLHX-UHFFFAOYSA-N
-rxn:4:185446:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,FAOJPQBRFSYNMS-UHFFFAOYSA-N
-rxn:4:185448:223239,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cncc(C4CCCN4)c3)cc(C3CCOCC3)c2)CC1,LMGCIMOGRPVCTK-UHFFFAOYSA-N
-rxn:4:185516:222684,Cc1cccc2c1N(CCCOc1ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc1)C(=O)C2=O,WVZWEJXTYRZOES-UHFFFAOYSA-N
-rxn:4:185523:222684,COC(=O)CC1COc2ccccc2N1C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,AFVCKXZTEIDHLB-UHFFFAOYSA-N
-rxn:4:185527:226844,COc1ccc(CCC(=O)N2C3C=CCC2CC3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WXRMEBYIQXGYBF-UHFFFAOYSA-N
-rxn:4:185534:223181,CCNS(=O)(=O)c1cccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)c1,ULRDXOGHYZNARY-UHFFFAOYSA-N
-rxn:4:185534:223192,CNS(=O)(=O)c1cc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)ccc1F,BLZHLRUCHGESSX-UHFFFAOYSA-N
-rxn:4:185535:223288,CNS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)c1,AOQYTMOCLOLATR-FQEVSTJZSA-N
-rxn:4:185569:222684,CC(C)(C)c1ccc(OCCN2C(=O)C(=O)c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc32)cc1,OENPZTBWFCFFEI-UHFFFAOYSA-N
-rxn:4:185571:226844,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCS(=O)(=O)C1,PXYAELIHURVOCC-UHFFFAOYSA-N
-rxn:4:185604:222573,CCN(CC)c1ccc2cc(C(=O)c3cc4cc(-c5cc(F)cc(C(=O)NCC6CCCCC6)c5)ccc4oc3=O)c(=O)oc2c1,ABNPBKIKIHCMHB-UHFFFAOYSA-N
-rxn:4:185613:226844,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1ccnc(C(=O)C(F)(F)F)c1,RRSSVTMQUKMNCC-UHFFFAOYSA-N
-rxn:4:185617:222684,CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)ccc3C2=O)c2ccccc21,SIZZQWGHNVXJFA-UHFFFAOYSA-N
-rxn:4:185735:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3OCC(F)(F)F)c2)CC1,XPXFTLXFQOGZGS-UHFFFAOYSA-N
-rxn:4:185813:223822,COC(=O)Cc1ccc(F)c(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)c1C#N,FSZRXNOVSQTVPL-UHFFFAOYSA-N
-rxn:4:186368:223828,CCN1CCN(c2cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)cc(C(F)(F)F)c2)CC1,DMGASSQTLNAFDS-UHFFFAOYSA-N
-rxn:4:186368:223893,CCN1CCN(CCOc2cccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c2)CC1,AKPCGAZDIUJTNE-UHFFFAOYSA-N
-rxn:4:186368:224063,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)cc1OC,WURAOEOWFKSIOY-UHFFFAOYSA-N
-rxn:4:186368:224125,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1OC,AHZLBWMPYWBQMJ-UHFFFAOYSA-N
-rxn:4:186368:224126,CCN1CCN(C(C)c2cccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c2)CC1,SZIKTZFCUIWGLE-UHFFFAOYSA-N
-rxn:4:186368:224267,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1OC,AIMXTNUEXOYXEO-UHFFFAOYSA-N
-rxn:4:186368:224322,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC,VNIUCSYQWXUPLC-UHFFFAOYSA-N
-rxn:4:186368:224367,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC(F)(F)F)c(OCC(C)C)c2)cc1OC,IWLSJAUFYAVHNU-UHFFFAOYSA-N
-rxn:4:186368:224407,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1OC,KERGZVXXAUHZJK-UHFFFAOYSA-N
-rxn:4:186368:224411,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)cc1OC,SLBAWXOAVXGKMC-UHFFFAOYSA-N
-rxn:4:186629:223502,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FSLSAFCBBCOYEF-UHFFFAOYSA-N
-rxn:4:186629:223693,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c1F,BZPIFFMRQYESFR-UHFFFAOYSA-N
-rxn:4:186629:223696,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,AVYJCUWAYPZDPW-UHFFFAOYSA-N
-rxn:4:186629:223823,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,YWVNDYFFGPFEFN-UHFFFAOYSA-N
-rxn:4:186629:223835,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,OHDPMAIJCMGTBU-UHFFFAOYSA-N
-rxn:4:186629:223979,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,CBLNQHFFUDEWAR-UHFFFAOYSA-N
-rxn:4:186629:223981,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,PGZSQYMMESFRHB-UHFFFAOYSA-N
-rxn:4:186629:223985,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,WGONNELSOCBLMM-UHFFFAOYSA-N
-rxn:4:186629:223993,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,XWOKHAJCKKRVIJ-UHFFFAOYSA-N
-rxn:4:186629:224087,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCN2CCCCCC2)c1,IWEJCFIEMSRYJM-UHFFFAOYSA-N
-rxn:4:186629:224100,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccccc1OCCN1CCC(C)CC1,CFPIDMRFRHNARS-UHFFFAOYSA-N
-rxn:4:186629:224188,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,ANLCDDMZNDFSMZ-UHFFFAOYSA-N
-rxn:4:186629:224190,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1,IRNRVZNDALAFCH-UHFFFAOYSA-N
-rxn:4:186629:224243,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(C(=O)N2CCCCC2C)c1,CATGRMPTPISBDV-UHFFFAOYSA-N
-rxn:4:186629:224292,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)OCC(C)(C)C)c(C)c1,SLTIXSXTIQMOMU-UHFFFAOYSA-N
-rxn:4:186629:224359,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)N(CC)CC)cc([N+](=O)[O-])c1,YXHBMUBDKMUTLY-UHFFFAOYSA-N
-rxn:4:186906:222466,CC(C)(C)S(=O)/N=C/c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C(F)(F)F)c1,KPPHZZLTEKJSRB-DPNNOFEESA-N
-rxn:4:186954:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3CC(C(=O)OC)C3)c(C)c2)c1,CNIGOFVKIYWGGA-UHFFFAOYSA-N
-rxn:4:186990:222684,O=C(CS(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCOCC1,NDFGGXYXNUMDNE-UHFFFAOYSA-N
-rxn:4:186992:222887,O=C(CS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCNCC2)c1)N1CCOCC1,PPSPESUMFXCNMG-UHFFFAOYSA-N
-rxn:4:187029:222684,O=C1N=C(SC(=O)c2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)SC1=Cc1ccccc1,AZXMMWDSTXIXCZ-UHFFFAOYSA-N
-rxn:4:187034:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCCN3CCCCC3)cc2)CC1,GWXDMXPJGSBFPT-UHFFFAOYSA-N
-rxn:4:187093:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(S(=O)(=O)N4CCCCC4)c(OC(F)(F)F)c3)c2F)C1,GAURAYVPYDVMPR-UHFFFAOYSA-N
-rxn:4:187162:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)CC4SC(=O)N(c5ccccc5)C4=O)cc3)cc2)CC1,MHDIGPYTFPRZKH-UHFFFAOYSA-N
-rxn:4:187186:222684,CCOC(=O)c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1N1CCCCC1,WMKDROPDZKTWLY-UHFFFAOYSA-N
-rxn:4:187205:222702,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)C1,RDWLXJVARDWVOY-UHFFFAOYSA-N
-rxn:4:187211:224842,CC(C)(C)OC(=O)N1CC(F)(c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)C1,QNGXVVPQFJHMTR-UHFFFAOYSA-N
-rxn:4:187251:223810,Cc1cc(-c2ccc(F)c(CCN3CCCC(C(F)(F)F)C3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,XGIIGKAQAMHTMU-UHFFFAOYSA-N
-rxn:4:187268:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N1CCC(S(=O)(=O)c2ccccc2)C1,OVRQWWVAYRWGLH-UHFFFAOYSA-N
-rxn:4:187307:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(C)cc3OCC3CCCCC3)cc2)CC1,NXCWVJFHMGMBDH-UHFFFAOYSA-N
-rxn:4:187307:224796,Cc1cc(OCC2CCCCC2)c(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cc1[N+](=O)[O-],GGCQPOWJOSIKOP-UHFFFAOYSA-N
-rxn:4:187310:225223,CC1CCN(c2cc(F)c(-c3cc(Cl)cc(F)c3OCCN3CCCCC3C)cn2)CC1,UEVCVUJTEBTVDC-UHFFFAOYSA-N
-rxn:4:187321:225312,CCOc1cccc(-c2cnc(N3CCCN(C)CC3)nc2)c1CN1CCCC(F)(F)C1,FHXOSLXTXSDVEB-UHFFFAOYSA-N
-rxn:4:187328:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4COS(=O)(=O)N4C(=O)OC(C)(C)C)cc3)cc2)CC1,AEGZCKAZYWPJMF-UHFFFAOYSA-N
-rxn:4:187350:222684,COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)SC2=S)cc1,JEZHKSJQXSCGJL-UHFFFAOYSA-N
-rxn:4:187374:222818,COC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)c(F)cc1NC(C)=O,MIUZQEBAULPNSM-UHFFFAOYSA-N
-rxn:4:187374:223810,Cc1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,XGUPSRHWLQILBZ-UHFFFAOYSA-N
-rxn:4:187386:222935,CCOC(=O)C1ON=C(c2ccc(C)c(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c2)C1(C)C,MSNXLUOBULCZCZ-UHFFFAOYSA-N
-rxn:4:187389:225222,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(N2CCCCC2C)ncc1F,IQGVAMBLOGOCBQ-UHFFFAOYSA-N
-rxn:4:187395:222684,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)SC2=S)cc1,CCOVPPRMTOAYSH-UHFFFAOYSA-N
-rxn:4:187474:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1,XAXFXFGHRNOCMC-UHFFFAOYSA-N
-rxn:4:187486:225724,COc1ccc(-c2ccc(OCCN(C)C)c(F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,OECATSNRCRDSFM-UHFFFAOYSA-N
-rxn:4:187512:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCSCC5)cc4)cc3)c(F)cc2C)CC1,KZLLCODVFOYKJI-UHFFFAOYSA-N
-rxn:4:187514:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)c2cccc(CN3CCOCC3)c2)cc1,XPRDCHQTZPXONX-UHFFFAOYSA-N
-rxn:4:187537:225745,CC(C)Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],YUEYHUGJTATDIO-UHFFFAOYSA-N
-rxn:4:187539:222684,C[Si](C)(C)N(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)[Si](C)(C)C,KXCZYSZZNFCMAL-UHFFFAOYSA-N
-rxn:4:187569:222588,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)c1,FWCHVZAODLZGDZ-UHFFFAOYSA-N
-rxn:4:187588:223075,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc2)CC1,ZQEDYJHRZWAXPN-UHFFFAOYSA-N
-rxn:4:187591:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,XELKDCBXIIRVSN-UHFFFAOYSA-N
-rxn:4:187601:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)c4cccc(CN5CCCCC5)c4)c3)cc2F)CC1,NYQWGGFTOMZCGK-UHFFFAOYSA-N
-rxn:4:187601:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)c4cccc(CN5CCCCC5)c4)c3)cc2)CC1,ZTUQZZIAXBUGOK-UHFFFAOYSA-N
-rxn:4:187603:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)c4ccccc4CN4CCCCC4)c3)cc2)CC1,BGQICUJGHWYNAI-UHFFFAOYSA-N
-rxn:4:187604:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCCCC4)cc3)cc2)CC1,FIADLHDAEUHFKC-UHFFFAOYSA-N
-rxn:4:187628:223753,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,VVECNSYUDSFDOO-UHFFFAOYSA-N
-rxn:4:187633:226152,COc1cc(C2CC2)cc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c1C,CEXUZDRHSHUDHI-UHFFFAOYSA-N
-rxn:4:187635:222684,O=S(=O)(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(Cc2ccccc2)CC1,MCTBOCIDZMMJGF-UHFFFAOYSA-N
-rxn:4:187636:222684,CC1CCCCN1C(=O)c1ccc(Oc2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,JYKMTQNSWRJZKR-UHFFFAOYSA-N
-rxn:4:187637:222684,CC1CCCN(C(=O)c2ccc(Oc3ccccc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1,AKKFJLCWKZTOMX-UHFFFAOYSA-N
-rxn:4:187641:222684,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,PHAHBZDTZYHVJF-UHFFFAOYSA-N
-rxn:4:187644:223800,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1cc(OCc2ccccc2)cc(C(F)(F)F)c1,IYIFICYXVKGLQN-UHFFFAOYSA-N
-rxn:4:187644:225196,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1cc(Cl)c(F)c(OC2CCCC2)c1,FRJLZINCNNFNFU-UHFFFAOYSA-N
-rxn:4:187648:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1,NJNVFXFJENARDR-UHFFFAOYSA-N
-rxn:4:187663:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,NIPAJSGWFPURPL-UHFFFAOYSA-N
-rxn:4:187664:222522,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(=O)(=O)N1CCC(O)CC1,CADYBOMEBJDVRY-UHFFFAOYSA-N
-rxn:4:187668:222904,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc1,NLZZLCGITDOQGJ-UHFFFAOYSA-N
-rxn:4:187685:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)c1cccc(CN2CCC3(CC2)OCCO3)c1,NGGBPJUTTOJBCC-UHFFFAOYSA-N
-rxn:4:187690:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)cc1Cl,WQQZXZISNMQPRU-UHFFFAOYSA-N
-rxn:4:187731:222684,CCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,RQLXEOVGEFHLAC-UHFFFAOYSA-N
-rxn:4:187817:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)c3ccccc3C(F)(F)F)c2)CC1,YHLQTYGOCGNTKH-UHFFFAOYSA-N
-rxn:4:187841:222684,COC(=O)c1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc32)cc1,ILMJHIVJKDTXAZ-UHFFFAOYSA-N
-rxn:4:187841:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)C(=O)N4Cc3ccc(C(=O)OC)cc3)c2)CC1,JNIZDSYKJURQEU-UHFFFAOYSA-N
-rxn:4:187874:222684,COC(=O)C1CN(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2O1,AJRYAMRYFUHRBI-UHFFFAOYSA-N
-rxn:4:187901:222684,CC(C)Oc1ccccc1CN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,VYTCSNWPAZYPKE-UHFFFAOYSA-N
-rxn:4:187911:225197,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cc(F)c(OC2CCCC2)c(Cl)c1,NHMBZJPOUGCPCA-UHFFFAOYSA-N
-rxn:4:187916:224586,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)ccc1CN1CCC(C)CC1,KEDRDMQVNLYWTO-UHFFFAOYSA-N
-rxn:4:187961:224101,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc(OCCN4CCC(C)CC4)c3)cc1)CC(C)(C)CC2=O,KHGPNOJCGQOVHY-UHFFFAOYSA-N
-rxn:4:187961:224594,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccccc3C3CCCCN3C(C)=O)cc1)CC(C)(C)CC2=O,ZCKARGLLTXEDQU-UHFFFAOYSA-N
-rxn:4:187961:225129,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(C(=O)OC(C)(C)C)cc3F)cc1)CC(C)(C)CC2=O,ASEWIDPAAAXNQW-UHFFFAOYSA-N
-rxn:4:187966:222684,COc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c3ccccc3S2(=O)=O)cc1,NWJBGZHEYUFOAZ-UHFFFAOYSA-N
-rxn:4:187967:222684,COc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)cc1,QZPYVHFWFZAEEC-UHFFFAOYSA-N
-rxn:4:187970:223648,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc21,CWCQHENOCNFHKH-UHFFFAOYSA-N
-rxn:4:187971:222707,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cc21,NRTSSOHOSNPMMP-UHFFFAOYSA-N
-rxn:4:187990:222684,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,VOEGYUGYJHVJGG-UHFFFAOYSA-N
-rxn:4:187990:225507,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1,VQPXPJQGEUNKHN-UHFFFAOYSA-N
-rxn:4:187991:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)Oc3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)cc2)CC1,WSZPNAVBPSUITN-UHFFFAOYSA-N
-rxn:4:188011:224420,CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1,IKZQVOOYTKEVEX-UHFFFAOYSA-N
-rxn:4:188013:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)CC1,STLXZTXPVGUMII-UHFFFAOYSA-N
-rxn:4:188439:223589,CSc1c(C#N)ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1C(F)F,XEWORPCIIHUEAG-UHFFFAOYSA-N
-rxn:4:188737:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1c(OC)ccc([N+](=O)[O-])c1OC,NECVQKUHGFSBKM-UHFFFAOYSA-N
-rxn:4:188877:223559,CON(C)C(=O)c1ccc(Cl)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,QQARIQOXGBFQGH-UHFFFAOYSA-N
-rxn:4:188928:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=N)(=O)C(F)(F)F)c3)cc2)CC1,QWYFBHXCFDLLDA-UHFFFAOYSA-N
-rxn:4:188929:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C(F)(F)F)cnc3OC3COC3)cc2)C1,YDHAKRLOFRZHSO-UHFFFAOYSA-N
-rxn:4:189384:223521,CC(c1cccc(-c2cc(C(=O)N3CCC3)cc(C(F)(F)F)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,UFDIORMAJPHXQC-UHFFFAOYSA-N
-rxn:4:189565:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCCOC4)c(C#N)c3)cc2)CC1,OMTPKEWAZLMPKI-UHFFFAOYSA-N
-rxn:4:189599:222684,Cc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,CSLYNKSJIUUQMN-UHFFFAOYSA-N
-rxn:4:189601:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1C(=O)ON1C(=O)CCC1=O,WQOONZAIAUOVAA-UHFFFAOYSA-N
-rxn:4:189790:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCC4)ncc3C(=O)OC)cc2)CC1,YSLBYSYJPULEAG-HZCBDIJESA-N
-rxn:4:189875:225270,CCCOc1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCOCC2)cc1C(F)(F)F,JAMABJAAHGKCIB-UHFFFAOYSA-N
-rxn:4:189916:222684,O=C(C(=O)N1CCCCC1)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,MJNHXCNMVTZMNJ-UHFFFAOYSA-N
-rxn:4:189928:222703,COc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)c(C2CCNCC2)c1,PYYKXYHFKQDFLL-UHFFFAOYSA-N
-rxn:4:189935:224015,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)ccc1N1CCOCC1,JAXMUIIVKKRLIX-UHFFFAOYSA-N
-rxn:4:189965:222684,CCN1C(=O)C(=Cc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2OC)SC1=S,VWPIFYFSGYYZCB-UHFFFAOYSA-N
-rxn:4:189974:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)CC1,AZZNTOPEGSZFHY-UHFFFAOYSA-N
-rxn:4:190015:223505,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,AOYYVWNWSRLPGJ-UHFFFAOYSA-N
-rxn:4:190058:225276,CCCOc1cc(-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)ccc1C(F)(F)F,FDCDKAWDSZBPIN-UHFFFAOYSA-N
-rxn:4:190075:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)cc2F)c1,RXQIDAJEBWADCZ-UHFFFAOYSA-N
-rxn:4:190087:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)c1,YUOKQMCNWDMSCZ-UHFFFAOYSA-N
-rxn:4:190087:223872,CCN(C(=O)c1cccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)c1)C1CCCCC1,ZCHOIXHXFOCKNA-UHFFFAOYSA-N
-rxn:4:190109:224252,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c1,UFVHLZJVIGGJRY-UHFFFAOYSA-N
-rxn:4:190111:222537,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,ILWSLJYGXLSOHT-UHFFFAOYSA-N
-rxn:4:190114:224414,FC1(F)CCN(CCc2cccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)c2)CC1,WKOWYELDRQOZAP-UHFFFAOYSA-N
-rxn:4:190150:222684,O=[N+]([O-])c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)C1CCCCC1,VABUAUZZEVNNGW-UHFFFAOYSA-N
-rxn:4:190159:224767,CS(=O)(=O)c1ccc(CN2CCC(F)(F)C2)c(-c2cccc(C(=O)N3CCOCC3)c2F)c1,HKKIZHHQTBUVOF-UHFFFAOYSA-N
-rxn:4:190165:223895,CCN1CCN(CCOc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1,JIPKSCABFZLMKB-UHFFFAOYSA-N
-rxn:4:190166:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(C2CCCNC2)n1,ATQPELUSJKVYTC-UHFFFAOYSA-N
-rxn:4:190166:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)CC1,ANSFETBEHZMROT-UHFFFAOYSA-N
-rxn:4:190180:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(F)(F)CC4)c3)cc2C1,LXIQJEJAWPEBST-UHFFFAOYSA-N
-rxn:4:190210:223753,Cc1ccc(-c2cc([N+](=O)[O-])c(C)cc2OC2CCCCC2)cc1OCCCN1CCN(C)CC1,DCRNZMQWAPYOQU-UHFFFAOYSA-N
-rxn:4:190213:224777,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCCC2)c(C(F)(F)F)c1,LBKIAZCSXSTFQF-UHFFFAOYSA-N
-rxn:4:190216:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1,HORHAOAQWBLQHE-UHFFFAOYSA-N
-rxn:4:190266:224825,CON(C)C(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCCC(C)C2)cc([N+](=O)[O-])c1,NYTLVEZIKWDTBV-UHFFFAOYSA-N
-rxn:4:190298:222684,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)SC1=S,IVDXMTMKCABZCL-UHFFFAOYSA-N
-rxn:4:190299:222632,COc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O,QIMPVGWDXZMFFF-UHFFFAOYSA-N
-rxn:4:190299:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O,FPYALNTYCAZBNW-UHFFFAOYSA-N
-rxn:4:190330:222782,Cc1cc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cnc1NC(=O)OC(C)(C)C,GYSJUUYZBBCNLJ-UHFFFAOYSA-N
-rxn:4:190361:223694,CCc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)cc(N2CCC(OC)CC2)c1,ZSCDMGSOPRCQSA-UHFFFAOYSA-N
-rxn:4:190384:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cccc(N4CCCC(C(=O)C(C)C)C4=O)c3)cc2C)cc1,VDWGXYWGHFXCND-UHFFFAOYSA-N
-rxn:4:190441:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,QVVYCEVREDKYQD-UHFFFAOYSA-N
-rxn:4:190447:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1N1CCCC(C(=O)C(C)C)C1=O,HMVIKUVXYMEXTH-UHFFFAOYSA-N
-rxn:4:190452:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,ZWOWKQBSEGWCJG-UHFFFAOYSA-N
-rxn:4:190458:223895,CCN1CCN(CCOc2ccc(-c3ccc([C@@H]4CN([C@@H](C)c5ccccc5)C(=O)CO4)cc3)cc2)CC1,COSKEWFYZUSFIZ-FKAPRUDGSA-N
-rxn:4:190490:223682,Cc1ccccc1C1CCN(C(=O)c2ccccc2-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)CCS1,LPLAEWBGUKTBLS-UHFFFAOYSA-N
-rxn:4:190662:223839,CCOC(=O)C1CCCc2sc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)nc21,SURLHZQXKNPAPB-UHFFFAOYSA-N
-rxn:4:190728:222395,CCOC(=O)c1[nH]c2c(c1-c1cccc(C(=O)NC3CCC(O)CC3)c1)CCC(F)(F)C2,NWTXMINJXWQOMK-UHFFFAOYSA-N
-rxn:4:190789:224179,COc1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(OCCN3CCN(C)CC3)cc2)c1,SMEPRBAVKYMHLL-UHFFFAOYSA-N
-rxn:4:190833:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1,ICOMXMZIAQEIGC-UHFFFAOYSA-N
-rxn:4:190833:223934,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2C1=O,RUQMCALULRDBPM-UHFFFAOYSA-N
-rxn:4:190841:223753,Cc1ccc(-c2cc3c(cc2C(=O)c2ccc([N+](=O)[O-])cc2)OCCO3)cc1OCCCN1CCN(C)CC1,ZPUBSJFONABIIV-UHFFFAOYSA-N
-rxn:4:190865:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)c1,XQPQVFOETVQYDN-UHFFFAOYSA-N
-rxn:4:190867:225382,O=C(Cc1ccccc1-c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CC2CC1CS2(=O)=O,IIXSBGJVOGFVBU-UHFFFAOYSA-N
-rxn:4:190885:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C(F)(F)F)c2)c1,HCNUJKUAKGGHJM-UHFFFAOYSA-N
-rxn:4:190896:223635,Cc1cc2c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc2n1C(=O)OC(C)(C)C,UXLGLROUFKMMDQ-UHFFFAOYSA-N
-rxn:4:190943:222684,COC(=O)C1=CN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S1(=O)=O,PJDHBKMTUQTMTC-UHFFFAOYSA-N
-rxn:4:190965:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(F)c3c2CCN(C(=O)OC(C)(C)C)C3)cc1,SVCSEMGSMZPUEV-UHFFFAOYSA-N
-rxn:4:190972:225607,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1)N1CCCCC1,CASOVDMEKXWFTI-UHFFFAOYSA-N
-rxn:4:190991:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)SCCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,VZUPGVCNNAFODS-UHFFFAOYSA-N
-rxn:4:191005:223570,COC(=O)c1ccc2c(C3CCCCC3)c(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)[nH]c2c1,WTACZESWLGCSBZ-UHFFFAOYSA-N
-rxn:4:191006:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,OPNMNSFADKYTHY-UHFFFAOYSA-N
-rxn:4:191006:222632,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,UQTSEGXUCIETDY-UHFFFAOYSA-N
-rxn:4:191023:222684,CC1Oc2ccccc2C(=O)N(CC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1=O,DNOMPWKGGRPFSV-UHFFFAOYSA-N
-rxn:4:191023:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)CN4C(=O)c5ccccc5OC(C)C4=O)cc3)cc2F)CC1,GFLLILAAACTAAC-UHFFFAOYSA-N
-rxn:4:191031:224845,CC(C)(C)OC(=O)N1CCc2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2CC1,ICMYVVDHZSKCHU-UHFFFAOYSA-N
-rxn:4:191033:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c1,OMMNVTLOUUSNSP-UHFFFAOYSA-N
-rxn:4:191041:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,KJBUFTMXIXANKW-UHFFFAOYSA-N
-rxn:4:191062:226844,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,QVXPXEWCDVJWGM-UHFFFAOYSA-N
-rxn:4:191084:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)c4ccccc4)S(=O)(=O)c4ccccc43)c2)cc1OCCCN1CCN(C)CC1,HNOGGWXCTVXLQG-UHFFFAOYSA-N
-rxn:4:191086:222684,O=C(C1=CN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2cc(F)ccc2S1(=O)=O)c1ccc(Cl)cc1,RYYYBTSJFIWXOO-UHFFFAOYSA-N
-rxn:4:191097:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)CC1,XKFOUMADXCQGFX-UHFFFAOYSA-N
-rxn:4:191103:226288,COc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C,CVUWGRIQTKGYSW-UHFFFAOYSA-N
-rxn:4:191111:222540,Cc1ccc(C(=O)C2=CN(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c3ccccc3S2(=O)=O)cc1,ORUOUWHIJOHNGA-UHFFFAOYSA-N
-rxn:4:191112:223755,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)c3)c3ccccc3S2(=O)=O)cc1,HAAQTJSJJQPNBJ-UHFFFAOYSA-N
-rxn:4:191113:222632,Cc1ccc(C(=O)C2=CN(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)c3cc(F)ccc3S2(=O)=O)cc1,PDYRPYJYPOVTID-UHFFFAOYSA-N
-rxn:4:191113:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccc(F)cc54)cc3)c(F)c2)CC1,MTSOFEQVYZMXKF-UHFFFAOYSA-N
-rxn:4:191117:227922,CCc1cc(OC)ccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,JOFGUMWKHAMZJU-UHFFFAOYSA-N
-rxn:4:191118:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,ANAGNHKDPHZPDN-UHFFFAOYSA-N
-rxn:4:191122:222684,COc1ccc(S(=O)(=O)N2c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3C(C)=CC2(C)C)cc1,DWQMNLDUJBNHKG-UHFFFAOYSA-N
-rxn:4:191123:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cnc(C5CCCN5)nc4)c32)CC1,YYNINGAGTOOFAM-UHFFFAOYSA-N
-rxn:4:191131:223993,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)c3)c3ccccc3S2(=O)=O)c(C)c1,JTBWAHMLHALVHC-UHFFFAOYSA-N
-rxn:4:191138:222684,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NMWYCFRCDHKSGX-UHFFFAOYSA-N
-rxn:4:191172:222684,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)cc1c32,ONAIDAXOKPYONJ-UHFFFAOYSA-N
-rxn:4:191178:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1,VKGGFFZMRADNLW-UHFFFAOYSA-N
-rxn:4:191180:222684,O=C1c2oc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1,XLJFUIIBQGDQPD-UHFFFAOYSA-N
-rxn:4:191182:222684,O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)N1CC1CCCO1,CXWADVAQGPPWKJ-UHFFFAOYSA-N
-rxn:4:191195:227909,CCC(C)c1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccn1,DCRUVDMKIGTXHP-UHFFFAOYSA-N
-rxn:4:191204:225723,CN(C)CCOc1ccc(-c2ccc3c(c2)C2CC(C)(O3)N(C)C(=O)C2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl,LQJMTUNGIHKKBY-UHFFFAOYSA-N
-rxn:4:191957:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c2)c(C(F)(F)F)c1,VMXFJCOZBHMTHH-UHFFFAOYSA-N
-rxn:4:192125:223755,CC1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)cc(S(N)(=O)=O)c3)cc2F)CC1,WXCYIASXZQIMTI-UHFFFAOYSA-N
-rxn:4:193234:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1F,ZONHUENJVFRKEX-UHFFFAOYSA-N
-rxn:4:193246:223753,Cc1ccc(-c2cccc(C(F)(F)F)c2N2CCCC2)cc1OCCCN1CCN(C)CC1,CSWYOVBAPWHOCN-UHFFFAOYSA-N
-rxn:4:193278:222540,CCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)SC1=S,WKOUTAOGSSMRAZ-UHFFFAOYSA-N
-rxn:4:193354:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=NC4CCS(=O)(=O)C4)cc3)c(F)cc2C)CC1,KIYNTROBVHTSTL-UHFFFAOYSA-N
-rxn:4:193354:223755,CC1CCN(CCCOc2ccc(-c3ccc(C=NC4CCS(=O)(=O)C4)cc3)cc2F)CC1,AYVDYIWWVOUBKX-UHFFFAOYSA-N
-rxn:4:193385:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c1,CABPKAXRLZKPHL-MXVIHJGJSA-N
-rxn:4:193411:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3C(=O)SC(=Cc4ccco4)C3=S)c2)CC1,CAVNKQKDMUOJKP-UHFFFAOYSA-N
-rxn:4:193518:222887,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCNCC3)c2)cc1,VGVYECPUGGXMHI-UHFFFAOYSA-N
-rxn:4:193519:224127,CCN1CCN(C(C)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(=O)CC3)cc2)CC1,BIWPUBKBUCFDIY-UHFFFAOYSA-N
-rxn:4:193563:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,MNCZYVVZHPAFRD-UHFFFAOYSA-N
-rxn:4:193647:222684,FC1(F)CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2C(F)(F)F)CC1,IUIKPVCWUXSYME-UHFFFAOYSA-N
-rxn:4:193697:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,DXLVDFCUMCLJCS-UHFFFAOYSA-N
-rxn:4:193710:223753,Cc1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)c2)cc1OCCCN1CCN(C)CC1,DJLCJWJDJOLANC-UHFFFAOYSA-N
-rxn:4:193753:222684,CC1CCCCN1C(=O)c1cc(Cl)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,YFMXMRNGJQAWPT-UHFFFAOYSA-N
-rxn:4:193826:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2)c1,KLMXZBSHTWPGFS-UHFFFAOYSA-N
-rxn:4:193837:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,PQPQQAZIRMYZSR-UHFFFAOYSA-N
-rxn:4:193931:222673,Cc1cc(-c2cc(C(=O)NC3CCCCC3)ccc2Cl)ccc1C(=O)N1CCCCC1C,ZHOWJVHTSWZOFJ-UHFFFAOYSA-N
-rxn:4:193946:223567,CC1CCCN(C(C)c2ccccc2-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)C1,GAKASHDECOQCHL-UHFFFAOYSA-N
-rxn:4:193947:223712,COc1ccc(-c2ccccc2C(C)N2CCCCC2C)cc1C12CC3CC(CC(C3)C1)C2,CGJKOVSCZFPZOY-UHFFFAOYSA-N
-rxn:4:193990:224882,O=S(=O)(c1ccc(-c2ccc(CN3CCCCCC3)cc2)cc1)N1CCC(=C2CCC2)CC1,BACSGCQHOFHWAG-UHFFFAOYSA-N
-rxn:4:193996:222439,Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c(S(=O)(=O)N2CCCC(C)C2)cc1C,OKPQKVSCWVWCBG-UHFFFAOYSA-N
-rxn:4:194067:223694,C#CCN1C(=O)C(=O)c2cc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)ccc21,MWILVLXANHNCJN-UHFFFAOYSA-N
-rxn:4:194456:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CC3CC2CS3)cc1,MZRIAXGJTAYMNS-UHFFFAOYSA-N
-rxn:4:194458:222684,O=C1C(=O)N(CC2CCC2)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc21,OFZAUJKIEFNMGZ-UHFFFAOYSA-N
-rxn:4:194553:223712,COc1ccc(-c2cc(C)cc(CN3CC4CC4C3)c2)cc1C12CC3CC(CC(C3)C1)C2,MCMGFTGJIOYOKE-UHFFFAOYSA-N
-rxn:4:194572:224874,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cccc(COC2CCCCC2)c1,JOUGCBZPUQJTGD-UHFFFAOYSA-N
-rxn:4:194615:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N=C4C=CC(=O)c5ccccc54)cc3)cc2)CC1,PLBJHSKIENGBNZ-UHFFFAOYSA-N
-rxn:4:194683:223753,Cc1ccc(C)c(CN2C(=O)C(=O)c3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc32)c1,ZUJPITRYJRDKFY-UHFFFAOYSA-N
-rxn:4:194747:223846,Cc1cc(-c2cccc3c2CCN(C(=O)C2CCCCC2)C3)cc(C2CC3CCC2(C)C3(C)C)c1,PRDQDLKPICKOJR-UHFFFAOYSA-N
-rxn:4:194748:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc([C@@]23C[C@@H]2CN(C2CCOCC2)C3)cc1,OSBAFGXBIKEERX-AMGIVPHBSA-N
-rxn:4:194757:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)CCCC2N1CCCC(C(F)(F)F)C1,QIHZAZLCPKIDIU-UHFFFAOYSA-N
-rxn:4:194768:225215,COC1CCN(C2CCCc3cc(-c4ccnc(N5CCC(C)CC5)c4Cl)ccc32)CC1,HQQSXMAJRPTIKF-UHFFFAOYSA-N
-rxn:4:194775:222684,O=C1C2CCC(c3ccccc3)CC2C(=O)N1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,LSJIFCLQGSXVMB-UHFFFAOYSA-N
-rxn:4:194781:222684,O=C1CC2(CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)Oc2ccccc21,ACOQZYQBZHZMJA-UHFFFAOYSA-N
-rxn:4:194783:222684,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccc(C)cc21,VCZNTVQNCCWZEG-UHFFFAOYSA-N
-rxn:4:194789:226844,O=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,DXVHNGSFKFXXGA-UHFFFAOYSA-N
-rxn:4:194795:224587,CC1CCN(Cc2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(F)c6)C(=O)C45)cc3)cc2F)CC1,LLPIILMAVJMBOT-UHFFFAOYSA-N
-rxn:4:194798:223239,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cncc(C6CCCN6)c5)cc4)C(=O)C23)cc1,ZTJOZIAAZVVDOZ-UHFFFAOYSA-N
-rxn:4:194798:226844,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)C(=O)C23)cc1,ZREQWZLMOJICKR-UHFFFAOYSA-N
-rxn:4:194799:223279,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)C12,RXIYUQJTZKKOJV-UHFFFAOYSA-N
-rxn:4:194810:222684,COC(=O)C1=C2CCCN2c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2S1(=O)=O,ONAVSOSOOSAZSP-UHFFFAOYSA-N
-rxn:4:196988:223536,Cc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1N1CCCS1(=O)=O,TYMNOCFJEGLNJT-UHFFFAOYSA-N
-rxn:4:197928:223712,COc1ccc(-c2ccc3c(c2)CCC3N2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,XYPWRUMYRZJJDM-UHFFFAOYSA-N
-rxn:4:197963:222684,C[C@H]1CC[C@H](N2Cc3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3C2=O)CC1,PUMZNNUYXOIAKB-UILWBTOOSA-N
-rxn:4:197977:224393,FC1(F)CCN(C2CCCc3c(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cccc32)CC1,CLQWGJJNUGJVJU-UHFFFAOYSA-N
-rxn:4:197986:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CCCC3N2CCCCC2C)cc1,LAQXFIOOTTXQFU-UHFFFAOYSA-N
-rxn:4:197991:224458,CC1CCN(C(C)c2ccc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)cc2)CC1,APVZQJFEOJWFLQ-UHFFFAOYSA-N
-rxn:4:199459:223637,CCOC(=O)Cc1cc(C#N)c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-],FTWXNPQNLMPLSV-UHFFFAOYSA-N
-rxn:4:199471:222684,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1[N+](=O)[O-],DYVFKSLJZGGZGF-UHFFFAOYSA-N
-rxn:4:199500:224853,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C3CCC(C)(C)CC3)cc2)cn1,YEJAPTTVBRNGDL-UHFFFAOYSA-N
-rxn:4:199534:222684,CCN(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)nc1)C(=O)OC(C)(C)C,NTNNBBQYAUPOQI-UHFFFAOYSA-N
-rxn:4:199557:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C#N)c(OC2CN(C(=O)OC(C)(C)C)C2)c1,LZYQIJFQEBGVGU-UHFFFAOYSA-N
-rxn:4:199607:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CSC4=NCCN4C(=O)Cc4ccc(F)cc4)cc3)c2)CC1,CNPOPJHHXDOWDO-UHFFFAOYSA-N
-rxn:4:199618:224771,Cc1ccc(-c2ccc(C(=O)N(CCN(C)C)C3CCOCC3)o2)cc1S(=O)(=O)N1CCCC1,LQHJVJIYGQVKMJ-UHFFFAOYSA-N
-rxn:4:199653:224885,Cc1cc([N+](=O)[O-])c(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccccc1CN1CCC(C)CC1,UHHXCTZULGUXCU-UHFFFAOYSA-N
-rxn:4:199660:222684,COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)cc1,WFBNKLQUCKJOIM-UHFFFAOYSA-N
-rxn:4:199661:222684,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,BRRPRTXXTSUXPL-UHFFFAOYSA-N
-rxn:4:199672:222684,CCOC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,IIZDUWFIROMYSI-UHFFFAOYSA-N
-rxn:4:199691:224016,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cn(S(=O)(=O)N(C)C)nc1-c1ccccn1,XONODUHXSCDXBX-UHFFFAOYSA-N
-rxn:4:199692:222986,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc(C2CCCNC2)n1,VJDBPLGVDLFAAG-UHFFFAOYSA-N
-rxn:4:199692:223753,Cc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1OCCCN1CCN(C)CC1,VWSQBVFXPGQNRJ-UHFFFAOYSA-N
-rxn:4:199697:223504,CCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,LRFRCTIJSIOARH-UHFFFAOYSA-N
-rxn:4:199711:222684,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)C1,PBDGRGAVPSOEOM-UHFFFAOYSA-N
-rxn:4:199712:226765,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)OC)c(F)c1F,MUHNDAMNUBTHQH-UHFFFAOYSA-N
-rxn:4:199713:226487,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cccc(OCC(=O)OC)c1,QOKAZRQHFREQRA-UHFFFAOYSA-N
-rxn:4:199720:222684,O=C(CN1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1)OCc1ccccc1,UFAYHQUYDJCQAI-UHFFFAOYSA-N
-rxn:4:199728:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1,JHHVWDLBDYUPEE-UHFFFAOYSA-N
-rxn:4:199732:222684,O=C(COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,ANVLUOCPXYXTIJ-UHFFFAOYSA-N
-rxn:4:199757:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCC1)C(=O)OC(C)(C)C,HFOPXAFPSPMDFF-UHFFFAOYSA-N
-rxn:4:199773:225568,CCC(=O)N1N=C(c2ccc(-c3ccc(C(C)(C)C(=O)OC)cc3)cc2)CC1c1ccc(OC)cc1OC,VUTHAIMPBPEZFO-UHFFFAOYSA-N
-rxn:4:199774:222684,N#CC1(CCc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CCN(S(=O)(=O)c2ccccc2)CC1,HEADZBPXVURGPU-UHFFFAOYSA-N
-rxn:4:199785:222684,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,DLICWZQLBJVFAB-UHFFFAOYSA-N
-rxn:4:199814:222684,COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)c1,HUQULJLNJKEHNG-UHFFFAOYSA-N
-rxn:4:199840:222684,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1,DMYSRZRVZNMZJO-UHFFFAOYSA-N
-rxn:4:199841:223886,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OC(C)(C)C,PEZKJNYQJHXTOG-UHFFFAOYSA-N
-rxn:4:199850:222684,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC2(C)C)cc(OC)c1OC,NDYWPKBXXOLOJC-UHFFFAOYSA-N
-rxn:4:199855:224819,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,NOYPVMLVMPKXEH-UHFFFAOYSA-N
-rxn:4:199863:226844,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,HBYGURJRYAIQGI-UHFFFAOYSA-N
-rxn:4:199865:222684,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)[C@@H](c2ccc(Cl)cc2)C1,XXSMGBWEYJILGM-SSEXGKCCSA-N
-rxn:4:199866:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(C=C(C(=O)N5CCOCC5)C(=O)N5CCOCC5)o4)cc3)cc2)CC1,NOIIUKZQVZPOIN-UHFFFAOYSA-N
-rxn:4:199866:228425,COc1c(Cl)cc(F)cc1-c1ccc(-c2ccc(C=C(C(=O)N3CCOCC3)C(=O)N3CCOCC3)o2)cc1,MYXLGWFTXXDLDA-UHFFFAOYSA-N
-rxn:4:199870:222985,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C2CCCNC2)nc1C,IEKOSNWLQHNBKG-UHFFFAOYSA-N
-rxn:4:199883:223477,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)cc3)CC2)CC1,WVGUIJUDEISSNK-UHFFFAOYSA-N
-rxn:4:199893:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)cc1,ACWWOHJBWAPZNE-UHFFFAOYSA-N
-rxn:4:199893:224395,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc21,YXDNZXVWJLIJDD-UHFFFAOYSA-N
-rxn:4:199894:225349,CCCOc1c(F)c(F)c(-c2cccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c23)c(F)c1F,PRNGBXGAYDVBDN-UHFFFAOYSA-N
-rxn:4:199908:224125,CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc1)SCC2,MUWZGAPHKRFGKC-UHFFFAOYSA-N
-rxn:4:199920:222684,CCOC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)s2)sc2cc(C)ccc21,TVQJJYKLNHVODQ-UHFFFAOYSA-N
-rxn:4:199936:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(OC)ccc5n4CC(=O)OC)cc3)cc2)CC1,DXYAAROWCQRIRS-UHFFFAOYSA-N
-rxn:4:199937:222684,COCCn1c(=NC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)s2)sc2cc(S(C)(=O)=O)ccc21,VPILNRYSJMNCLZ-UHFFFAOYSA-N
-rxn:4:199948:222684,CCCCN1C(SCc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=NS(=O)(=O)c2ccccc21,UWVNLHZFKHWHOI-UHFFFAOYSA-N
-rxn:4:199958:224078,COC(=O)CC1CCN(C(=O)Cn2ccc3cc(-c4cccc5c4ccn5[Si](C)(C)C(C)(C)C)ccc32)CC1,OPRWUBQCYRTXFA-UHFFFAOYSA-N
-rxn:4:199964:224338,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cccc(-c4cccc(C(F)(F)F)n4)c3)ccc21,UESSSOZNHCZUAH-UHFFFAOYSA-N
-rxn:4:199968:222614,COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,HYZQEKHISMIIPU-UHFFFAOYSA-N
-rxn:4:199981:224946,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccccc4OCc4ccccn4)cc32)SC1=S,GRABRFBJPYPUDI-UHFFFAOYSA-N
-rxn:4:199994:222684,O=C(CSc1cn(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc12)N1CCOCC1,RIHNHHXAEDZCBP-UHFFFAOYSA-N
-rxn:4:199994:224612,O=C(CSc1cn(Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2ccccc12)N1CCOCC1,SSIXSKOPMOTCLL-UHFFFAOYSA-N
-rxn:4:199995:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CSc3cn(CC(=O)N4CCOCC4)c4ccccc34)cc2)cc1,OZSZXYPGBJIRKU-UHFFFAOYSA-N
-rxn:4:199999:227018,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C(C)(C)C#N)cc3)cc2ccn1C(=O)OC(C)(C)C,SBNVLCXPXKKILJ-UHFFFAOYSA-N
-rxn:4:200008:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)OCc4ccccc4)CC3)c2)c1,UFNJCTHQBMOPAV-UHFFFAOYSA-N
-rxn:4:200039:222413,COc1ccc(-c2ccc(S(N)(=O)=O)cc2C)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,RKOJPLNKVAKMOK-UHFFFAOYSA-N
-rxn:4:200057:222849,N#Cc1cc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)ccc1C1CCNCC1,JRSXQKZAHYOTRV-UHFFFAOYSA-N
-rxn:4:200063:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,ITFWCRLYKKDUPZ-UHFFFAOYSA-N
-rxn:4:200064:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)c2)c1,FNOPSXYQJXKUDR-UHFFFAOYSA-N
-rxn:4:200064:222684,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,SUPIVQGJAKBVQV-UHFFFAOYSA-N
-rxn:4:200065:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)c1,FFMIEYRQEVNVSH-UHFFFAOYSA-N
-rxn:4:200065:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)c1,XCPVHLDQAKBTPR-UHFFFAOYSA-N
-rxn:4:200092:222684,CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1-c1ccc(OCCN2CCNCC2)c(Cl)c1,DYNFBHOKFFSIBP-UHFFFAOYSA-N
-rxn:4:200096:223753,CCOC(=O)c1ccc([N+](=O)[O-])c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1C#N,RYOLFAALVRCDJY-UHFFFAOYSA-N
-rxn:4:200109:222684,CCOC(=O)c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc([N+](=O)[O-])c1C#N,UHVHETLSAFUWHK-UHFFFAOYSA-N
-rxn:4:200273:222684,CN(Cc1c[nH]c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)C(=O)OC(C)(C)C,WGVITNFYSNWRHE-UHFFFAOYSA-N
-rxn:4:200280:222684,CCC(=O)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,PBUQZRAAXWGSDB-UHFFFAOYSA-N
-rxn:4:200282:223674,O=C(COc1ccc([N+](=O)[O-])cc1-c1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1)N1CCOCC1,ROFZTBUZIWQWOR-UHFFFAOYSA-N
-rxn:4:200309:222847,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C#N)cc(C3CCCNC3)c2)cc1,ZMSAULSLWPOAMO-UHFFFAOYSA-N
-rxn:4:200309:225186,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1,QODCDGPUFWTZJF-UHFFFAOYSA-N
-rxn:4:200309:225212,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)cc(N3CCN(C)CC3)c2)cc1,PTDDXJQTNDUGJX-UHFFFAOYSA-N
-rxn:4:200310:222684,N#CC1CCN(C(=O)COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,YXDGYVXVOZKIHZ-UHFFFAOYSA-N
-rxn:4:200317:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N1CCN=C1SCc1ccc(F)cc1,DEYURNNFTYISAF-UHFFFAOYSA-N
-rxn:4:200319:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N1CCN=C1SCc1c(F)cccc1Cl,ZMMGMVUYXZLMAW-UHFFFAOYSA-N
-rxn:4:200340:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)ccn1)C(F)(F)F,SYVVIUBBQNYRGI-UHFFFAOYSA-N
-rxn:4:200373:224196,CCOC(=O)c1sc(=NC(=O)c2ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cc2)n(C)c1C,XOXAVRFWTSIEQA-UHFFFAOYSA-N
-rxn:4:200374:222684,CCOC(=O)c1sc(=NC(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)n(C)c1C,CPVDJKHKPJXVQV-UHFFFAOYSA-N
-rxn:4:200380:222684,Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1,KQDUZJIRYAICNC-UHFFFAOYSA-N
-rxn:4:200384:226431,O=C(CCc1ccccc1-c1ccc(N2CCCC2)c(F)c1)N1CC(N2C(=O)COC2=O)C1,PGJXCTIWCKPSGB-UHFFFAOYSA-N
-rxn:4:200423:222684,O=S(=O)(c1ccccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1,SVOAXIFFMPVBPT-UHFFFAOYSA-N
-rxn:4:200433:226844,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,BWZSOBLXFFEGRC-UHFFFAOYSA-N
-rxn:4:200440:225993,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccc(C(=O)OC)c([N+](=O)[O-])c3)c2)CC1,DDFZSZRLKVBKQY-UHFFFAOYSA-N
-rxn:4:200451:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(Cl)cc3)cc2)c1,MWFJUDOEVGYHBZ-UHFFFAOYSA-N
-rxn:4:200451:225324,CC(C)CCn1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(Cl)cc3)cc2)c(C(F)(F)F)n1,JMHKBQPHQLBYKG-UHFFFAOYSA-N
-rxn:4:200459:222540,O=C(CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,LRMHMMRHHHOKFQ-UHFFFAOYSA-N
-rxn:4:200459:222684,O=C(CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,CDEQAWRNECVBSL-UHFFFAOYSA-N
-rxn:4:200479:222684,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,UVRKMLZPVAIBCI-UHFFFAOYSA-N
-rxn:4:200519:226532,CCOC(=O)c1cc(F)cc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c1,YTVRYCMICXEXOI-FQEVSTJZSA-N
-rxn:4:200521:222684,Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,BFIFUGRLYADPST-UHFFFAOYSA-N
-rxn:4:200527:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc(C)c4)c3)cc2)CC1,LHVBMASMDSQDSS-UHFFFAOYSA-N
-rxn:4:200529:222684,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)c1,DRVCJXXZFWNNGP-UHFFFAOYSA-N
-rxn:4:200537:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1,YIXNDUHOWLFZFA-UHFFFAOYSA-N
-rxn:4:200557:222684,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,QLTBJBXOYIVIKM-UHFFFAOYSA-N
-rxn:4:200563:224244,CC1CCN(C(=O)c2cc(-c3ccccc3C(=O)N3CCC(CSC4=NCCS4)CC3)ccc2Cl)CC1,GCGRFKUCJKTOQF-UHFFFAOYSA-N
-rxn:4:200574:226828,Cc1cc(Cl)c(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C(C)C)CC3)c2)cc1C(F)(F)F,MTSYIUAAYJZYTI-UHFFFAOYSA-N
-rxn:4:200575:225560,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(COC4CCOC4)c3)c(C(F)(F)F)n2)C1,MSYRIVMQTANMAG-UHFFFAOYSA-N
-rxn:4:200581:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc(C)cc4)cc3)cc2)CC1,JABSPMDDDPBFJV-UHFFFAOYSA-N
-rxn:4:200583:222684,Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c1,XNKREZDPGSMFFS-UHFFFAOYSA-N
-rxn:4:200583:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc(C)c4)cc3)cc2)CC1,ZJDJBCURALFBJL-UHFFFAOYSA-N
-rxn:4:200587:222684,COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,UTKSSSVWZQMFHV-UHFFFAOYSA-N
-rxn:4:200602:225898,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,RXOMGPVZNVAKCV-UHFFFAOYSA-N
-rxn:4:200607:223825,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)CC1,HRLZCBRSBQCFQT-UHFFFAOYSA-N
-rxn:4:200615:226844,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SLNGFGLIZLSZOV-UHFFFAOYSA-N
-rxn:4:200621:222684,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)CC1,XKOZASDZDKNNQM-UHFFFAOYSA-N
-rxn:4:200621:223755,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)o2)CC1,YNIMHPUGEIQECF-UHFFFAOYSA-N
-rxn:4:200635:222684,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,GJQYDHMTLIXJQG-UHFFFAOYSA-N
-rxn:4:200641:223755,CCC(CC)C(=O)N1CCN(c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)CC1,CPKHLAOIUIBDON-UHFFFAOYSA-N
-rxn:4:200645:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C3CCCCC3)cc2)c1,LALKIRCRASWWPS-UHFFFAOYSA-N
-rxn:4:200645:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,SIOGUADRCNKYIT-UHFFFAOYSA-N
-rxn:4:200651:222540,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,CQQGJGNSBRNALM-UHFFFAOYSA-N
-rxn:4:200653:222684,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C(=O)C1,LOYSWMLPTQZGIW-UHFFFAOYSA-N
-rxn:4:200653:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)C1,OQKSYXIPENHDQZ-UHFFFAOYSA-N
-rxn:4:200658:222540,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2Cl)CC1,LKLAYVLGRJIUMJ-UHFFFAOYSA-N
-rxn:4:200658:224396,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1S(=O)(=O)N1CCOCC1,QMCOARIKPJVDSE-UHFFFAOYSA-N
-rxn:4:200666:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N(C(=O)N1CCCCC1)c1ccccc1,DYRXZAHJKUSROR-UHFFFAOYSA-N
-rxn:4:200667:222684,Cc1ccc(N(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)C(=O)N2CCCCC2)cc1,FCZORMYNAGUUHS-UHFFFAOYSA-N
-rxn:4:200674:222684,O=S(=O)(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCC(COc2ccncc2)C1,RIRTWAOZHFMLFS-UHFFFAOYSA-N
-rxn:4:200698:224008,COC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)ccc1CN1CCN(C(C)C)CC1,DMSDBERJYFNBAJ-UHFFFAOYSA-N
-rxn:4:200700:222632,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)CC1,BOLXMEPSFKDSRE-UHFFFAOYSA-N
-rxn:4:200702:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,FVVMRRDBLDDIEG-UHFFFAOYSA-N
-rxn:4:200705:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,VZYNNOGERRMHLJ-UHFFFAOYSA-N
-rxn:4:200718:222632,O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,GRQKGQRXRFRNFZ-UHFFFAOYSA-N
-rxn:4:200718:222684,O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,LCDXEKDPDBDMNW-UHFFFAOYSA-N
-rxn:4:200724:222684,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2Cl)CC1,ZIWFZGZIBYAYRH-UHFFFAOYSA-N
-rxn:4:200739:222684,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2C(C)=O)c1,RNKLLFXTXISVSH-UHFFFAOYSA-N
-rxn:4:200745:222948,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,HBFFBRKCBCROHK-UHFFFAOYSA-N
-rxn:4:200749:222684,O=S(=O)(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,HDEYIOYCTIKYMA-UHFFFAOYSA-N
-rxn:4:200750:222540,COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)o2)cc1,KSWLHGUGBIHDEY-UHFFFAOYSA-N
-rxn:4:200772:223597,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2F)CC1,MAFNITGQVUFXIK-UHFFFAOYSA-N
-rxn:4:200773:222684,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(C)(=O)=O)c1,STJKVGURMBFPLQ-UHFFFAOYSA-N
-rxn:4:200774:222684,COc1cccc(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(C)(=O)=O)c1OC,PEQCOTRPYQLMAZ-UHFFFAOYSA-N
-rxn:4:200775:222684,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)SC2=S)cc1,ZSMHWNQCTCYUTB-UHFFFAOYSA-N
-rxn:4:200776:222928,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cnc(N4CCC(O)CC4)nc3C)CC2)cc1,SUQRAAXRRYFJAQ-UHFFFAOYSA-N
-rxn:4:200790:222632,C[C@@H]1CN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,FAKYBJMKSWIMEQ-OAQYLSRUSA-N
-rxn:4:200795:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,TVTOJIMCIIARMB-UHFFFAOYSA-N
-rxn:4:200805:226062,CCN1C(=O)C(=Cc2cc(-c3cc(C(C)C)cc(C(C)C)c3)c(OC)cc2OC)SC1=Nc1ccccc1,ZZWYOJUJHFEDTB-UHFFFAOYSA-N
-rxn:4:200817:223285,CC(c1ccccc1-c1ccccc1NS(C)(=O)=O)N1CCN(C(=O)OC(C)(C)C)CC1,BQPQVEDCJQWPEY-UHFFFAOYSA-N
-rxn:4:200822:222854,COc1ccc(C2CCCNC2)cc1-c1cccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1,BTMCEKOPLGYYEE-UHFFFAOYSA-N
-rxn:4:200823:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)CC1,GYZOEJBYJXJEFD-UHFFFAOYSA-N
-rxn:4:200829:224416,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)cc1-c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1,CSELCCLECYUJQJ-UHFFFAOYSA-N
-rxn:4:200832:224018,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,LURATLSWZRJMHX-UHFFFAOYSA-N
-rxn:4:200838:226284,CC(C)COc1cc(Cl)cc(-c2ccccc2CCC(=O)N2CCCN(C3CCOC3)CC2)c1,URCTWWJUZBBRKL-UHFFFAOYSA-N
-rxn:4:200851:222684,COc1ccc(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(=O)(=O)c2ccccc2)cc1,NUKUBPAFYKPLJB-UHFFFAOYSA-N
-rxn:4:200854:226056,COC(=O)C1CCCN(Cc2ccc(-c3c4c(cc5c3CCC5)CCC4)cc2N2CCOCC2)C1,LGNAHSXBYNUZIX-UHFFFAOYSA-N
-rxn:4:200859:222684,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3OC)CC2)cc1,MYISVHPOSWFDCM-UHFFFAOYSA-N
-rxn:4:200861:222540,COc1cc(C)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,NNRCTJPCFNGHFF-UHFFFAOYSA-N
-rxn:4:200862:222684,CCOc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,LRGFUOSWMOLSEZ-UHFFFAOYSA-N
-rxn:4:200866:223595,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,WPCPXKHBEQLZHS-UHFFFAOYSA-N
-rxn:4:200866:225436,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(CN3CCCCC3)cc2)c1,NIUVVFPMEGPIIF-UHFFFAOYSA-N
-rxn:4:200871:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UFYSQAYZFXTJGX-UHFFFAOYSA-N
-rxn:4:200872:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,HKXFKRMUNWUMMF-INIZCTEOSA-N
-rxn:4:200884:222540,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)C2,CQUSEAPVXPKXRL-UHFFFAOYSA-N
-rxn:4:200887:222684,COc1ccccc1C1CC(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,JHSXNKCGBUSGHC-UHFFFAOYSA-N
-rxn:4:200899:222684,COc1cc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,YCIPAMKCFNVHPK-UHFFFAOYSA-N
-rxn:4:200900:222684,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC23CCCCC3)cc1OC,LFFROQZEWDLOSE-UHFFFAOYSA-N
-rxn:4:200900:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccc(OC)c(OC)c5)C4=S)cc3)ccc2F)CC1,NPZBSVPZXVZGPB-UHFFFAOYSA-N
-rxn:4:200902:222684,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc2)CC3)cc1,WTRLEIQTYGCMRP-UHFFFAOYSA-N
-rxn:4:200904:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc1OC,STJZOMKQSKHNDW-UHFFFAOYSA-N
-rxn:4:200905:222684,Cc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,OSUFMFMWDXDOHY-UHFFFAOYSA-N
-rxn:4:200928:222540,N#Cc1cc2c(nc1SCC(=O)c1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)CCC2,LNYKPSJRDKQELL-UHFFFAOYSA-N
-rxn:4:200963:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(C)ccc5n4CC(=O)OC)s3)cc2)CC1,GOOIRGMTHCTELU-UHFFFAOYSA-N
-rxn:4:200983:222701,COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc1)SCC2,NZIHYMSNQODYPK-UHFFFAOYSA-N
-rxn:4:201031:224784,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)ccc21,ZNOVPAZUXILECG-UHFFFAOYSA-N
-rxn:4:201046:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3c(OC)cccc3OC)n4CC)cc2)CC1,ZGINKHFHKRAQMS-UHFFFAOYSA-N
-rxn:4:201051:222684,COc1ccc2oc(C(=O)N3CCC(Oc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cn4)C3)cc2c1,XDXNNZMTEOQOLH-UHFFFAOYSA-N
-rxn:4:201074:223753,Cc1ccc(-c2ccc(C(=O)N(CC3CCCO3)c3nc4c(C)ccc(C)c4s3)o2)cc1OCCCN1CCN(C)CC1,QTFBQJMCMATLBI-UHFFFAOYSA-N
-rxn:4:201085:224612,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)C2=O)c2ccccc21,UXDAYRRYSHGEIB-UHFFFAOYSA-N
-rxn:4:201091:223755,COc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,GTJGVFLMXGTJAH-UHFFFAOYSA-N
-rxn:4:201094:224612,CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)c(=O)n2C1c1ccco1,OCLROJIEPLXBJB-UHFFFAOYSA-N
-rxn:4:201101:223093,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)N2C(=O)C(C)SC2=N1,UVAYDQIUZMCDBA-UHFFFAOYSA-N
-rxn:4:201101:223279,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)N2C(=O)C(C)SC2=N1,AEWDNOYQVALJTE-UHFFFAOYSA-N
-rxn:4:201123:222973,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cccc(C(=O)NC(C)(C)C)c3)ccc21,KGFVWMGZCTYARN-UHFFFAOYSA-N
-rxn:4:201124:226117,Cc1cc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OCC(C)C,YMDICVPXVLFRFX-UHFFFAOYSA-N
-rxn:4:201126:224489,CC(C)N(Cc1ccc(F)cc1-c1ccccc1CCC(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2)C(C)C,RERURLOYNLFBAE-UHFFFAOYSA-N
-rxn:4:201126:224738,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cc(OCC2CC2)cc(C(F)(F)F)c1,BKEQIRLUOBCTNP-UHFFFAOYSA-N
-rxn:4:201133:228582,CC(C)c1ccncc1-c1ccc2c(c1)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2=O,TXWYPEADUICZIE-UHFFFAOYSA-N
-rxn:4:201134:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c3ccccc23)CC1,KEUHXQJABVTMAI-UHFFFAOYSA-N
-rxn:4:201144:225105,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)cc1F,ADLVGBBURVUOKH-UHFFFAOYSA-N
-rxn:4:201165:222684,CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,WRIAWTMUGYMIGS-UHFFFAOYSA-N
-rxn:4:201166:222684,O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,HGSHRVMIUVAAOK-UHFFFAOYSA-N
-rxn:4:201171:225690,O=C(N1CCN=C1SCc1ccc(-c2cccnc2-c2cccc(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,YMSQSNXTNWLVFQ-UHFFFAOYSA-N
-rxn:4:201183:224612,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)N1CCCN1CCOCC1,VQAQGSLIQVNUJM-UHFFFAOYSA-N
-rxn:4:201189:223279,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cnc(C3CCCN3)nc2)cc1,FNKUSROMZZOYBI-UHFFFAOYSA-N
-rxn:4:201190:222684,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(OCCN4CCNCC4)c(Cl)c2)c1)N(CCCN1CCOCC1)C3=O,GCPNJDQJMRCPLI-UHFFFAOYSA-N
-rxn:4:201208:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cncc([N+](=O)[O-])c2OS(=O)(=O)C(F)(F)F)c1,MDOFCBNMHGEWIM-UHFFFAOYSA-N
-rxn:4:201208:222684,O=[N+]([O-])c1cncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1OS(=O)(=O)C(F)(F)F,IEBWIXYSFLUWCO-UHFFFAOYSA-N
-rxn:4:201337:223985,COc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)N(C)OC)cc1S(=O)(=O)N1CCCCC1,OQTWNVJPZXGXSQ-UHFFFAOYSA-N
-rxn:4:201338:222540,CON(C)C(=O)c1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc([N+](=O)[O-])c1,RCSNKAZTTUXASU-UHFFFAOYSA-N
-rxn:4:201389:223559,CCOC(=O)C(C)(C)n1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,YFBYJZXNTFOQFE-UHFFFAOYSA-N
-rxn:4:201391:223753,Cc1ccc(-c2ccn(CC(=O)OC(C)(C)C)n2)cc1OCCCN1CCN(C)CC1,KWCSEQRXIJYRNA-UHFFFAOYSA-N
-rxn:4:201659:222632,N#CCC(=O)C1CCCN(c2ccccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C1=O,FGWGSUMAQGWDIK-UHFFFAOYSA-N
-rxn:4:201689:224063,COC(=O)CC1CN(c2ccc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)cn2)CCO1,NHBLJAAZQWPNBU-UHFFFAOYSA-N
-rxn:4:201744:222684,CCOc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN=C1C,UVQHLOKSSHIOTI-UHFFFAOYSA-N
-rxn:4:201786:223822,CCOC(=O)C1CCN(c2ncccc2-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)CC1,IDACMWPMUTYHOA-UHFFFAOYSA-N
-rxn:4:201823:222684,O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,GGGDWFVFMVUWKO-UHFFFAOYSA-N
-rxn:4:201823:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)c2)CC1,ZQNMFXFGJFCMJM-UHFFFAOYSA-N
-rxn:4:201823:224502,CN1CCCCC1COc1cccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1,BLIDBLJZECCJCQ-UHFFFAOYSA-N
-rxn:4:201837:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)s2)C1,AKPJFUCVXJSZCL-UHFFFAOYSA-N
-rxn:4:201839:225011,CCC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C4(C#N)CCCC4)c3F)cc2)CC1,FIDSVPPVRPYXEV-UHFFFAOYSA-N
-rxn:4:201859:226844,O=C(C1CC(F)(F)C1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,MMTLIGFEHMSWOT-UHFFFAOYSA-N
-rxn:4:201870:226723,COC(=O)c1cnc(OC)cc1-c1ccc(Cl)c(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c1,AAHPJWRIAOOVIF-UHFFFAOYSA-N
-rxn:4:201895:224612,CCN1CCN(C(=O)Cc2ccc(Cl)c(-c3ccc(OCCN4CCOCC4)cc3)c2)CC1,RKYPOGGIYMMHCH-UHFFFAOYSA-N
-rxn:4:201909:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCN(S(=O)(=O)c5ccccc5)C4)nc3)cc2)CC1,AYCDOWAWENKFNO-UHFFFAOYSA-N
-rxn:4:201928:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)C2)n1,HKLSLMQKBBWFSY-UHFFFAOYSA-N
-rxn:4:201946:223880,Cc1ccc2c(c1)cc(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)nc1)n2C(=O)OC(C)(C)C,ONASZYSYZDFSFM-UHFFFAOYSA-N
-rxn:4:201965:223569,CCc1nc(C)cn1S(=O)(=O)c1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c(C)cc1OC,XQRKYGOCPVUHPK-UHFFFAOYSA-N
-rxn:4:201967:222718,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,PNKDCCGHTRVJLU-UHFFFAOYSA-N
-rxn:4:201991:223753,Cc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2C)cc1OCCCN1CCN(C)CC1,WOSOOGXHOFLQNU-UHFFFAOYSA-N
-rxn:4:202002:222684,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2OC)CC1,SIVAXGZXUJLZEI-UHFFFAOYSA-N
-rxn:4:202006:224322,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,JBDMUNHWBBROKO-UHFFFAOYSA-N
-rxn:4:202018:224372,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1,NLJYLOIZVCNPAT-UHFFFAOYSA-N
-rxn:4:202036:223831,COc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C)n4)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,OCJPDJIXRNZGAW-UHFFFAOYSA-N
-rxn:4:202066:222684,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,UHSVPBNMPUFUFV-UHFFFAOYSA-N
-rxn:4:202066:223093,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3cncc(NS(=O)(=O)C(C)C)c3)c2)CC1,AKPSHIRJDBKRNN-UHFFFAOYSA-N
-rxn:4:202069:225754,COC(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(C2CC2)cn1,LTSHAMNEMQEAOV-UHFFFAOYSA-N
-rxn:4:202070:223933,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2)C(=O)C1,IZXHXQIRSGFHRN-UHFFFAOYSA-N
-rxn:4:202079:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncc5)CC4)cc3)cc2F)CC1,SPGLIKHKJWWHPV-UHFFFAOYSA-N
-rxn:4:202087:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4SCCN4S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)CC1,BJPVEOMMFFRBCZ-UHFFFAOYSA-N
-rxn:4:202089:222684,O=S(=O)(c1c(F)cccc1F)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,FWBXTEQAPRXSLD-UHFFFAOYSA-N
-rxn:4:202098:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,NZTZCDJVDRLQGI-UHFFFAOYSA-N
-rxn:4:202105:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1,FQXHWMMCUKUYHS-UHFFFAOYSA-N
-rxn:4:202115:223933,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)CC1,HSWCMOWZBAOIJI-UHFFFAOYSA-N
-rxn:4:202117:224656,COc1ccc(-c2cnccc2OC2CCN(CC3CCCCO3)C2)c(F)c1OC1CCCC1,PBZSNCTVVGOPBM-UHFFFAOYSA-N
-rxn:4:202130:225898,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(F)n2)C1,XBRHYNDWWNXJOT-UHFFFAOYSA-N
-rxn:4:202132:223166,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)nc3)cc2Cl)CC1,CSVUGAOFPQLCBD-UHFFFAOYSA-N
-rxn:4:202143:223949,COc1cc(C)c(-c2cnc(N(C)C)nc2OCc2ccccc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,CJPAMDWPDROBGE-UHFFFAOYSA-N
-rxn:4:202152:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C2CC(c3ccco3)=NN2C(=O)C2CCCO2)cc1,NPHRJGZONLZOLP-UHFFFAOYSA-N
-rxn:4:202171:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NN(C(=O)c5ccco5)C(C(C)(C)C)C4)cc3)cc2)CC1,RNABJPJVOAXQJK-UHFFFAOYSA-N
-rxn:4:202173:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2)CC1,CCXHGXQCNVEFOP-UHFFFAOYSA-N
-rxn:4:202185:222684,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC2(C)C)cc1,MXBBPBQZFPJOIB-UHFFFAOYSA-N
-rxn:4:202209:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3OC)c(F)c2)CC1,FIVHEMNEVPKGAC-UHFFFAOYSA-N
-rxn:4:202214:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1,KLDCNICAYMCQIG-UHFFFAOYSA-N
-rxn:4:202226:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C)n2)cc1,CDRGFJCCAPSAFX-UHFFFAOYSA-N
-rxn:4:202227:223931,Cc1cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,CLJAVCMMSYONML-UHFFFAOYSA-N
-rxn:4:202232:222468,CC1CCN(c2ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)c(C(=O)OC(C)(C)C)n2)CC1,NVXZNAFPJBOUNZ-UHFFFAOYSA-N
-rxn:4:202240:222684,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)cc2)CC1,FBTVDSYGAQSHIJ-UHFFFAOYSA-N
-rxn:4:202241:222632,CN1CCN(Cc2cccc(C(=O)c3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3)c2)CC1,FUZOGCKMGDADKV-UHFFFAOYSA-N
-rxn:4:202241:222684,CN1CCN(Cc2cccc(C(=O)c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c2)CC1,XUVLDOVSYFRVKW-UHFFFAOYSA-N
-rxn:4:202244:222684,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,CWJFZUZKXFJIQZ-UHFFFAOYSA-N
-rxn:4:202246:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3F)ccc2F)CC1,BQHCVNHVLGCNQB-UHFFFAOYSA-N
-rxn:4:202247:222684,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3F)cc2)CC1,DGTDSMWKPREYIY-UHFFFAOYSA-N
-rxn:4:202249:222684,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3F)c2)CC1,XJSNTPWHSDOVPY-UHFFFAOYSA-N
-rxn:4:202252:222684,Cc1ccc(S(=O)(=O)N2CCN(C(=S)c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)cc1,ZVUBVRSAAZRZNF-UHFFFAOYSA-N
-rxn:4:202253:222632,CCC1(C)N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,CKGPCAMPNPMWLY-UHFFFAOYSA-N
-rxn:4:202253:222684,CCC1(C)N=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,FDIFEMSHUXDOMF-UHFFFAOYSA-N
-rxn:4:202264:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cccc(C(=O)N2CCCSCC2CN2CCCC2)c1,VRQCOIAHTJIBJF-UHFFFAOYSA-N
-rxn:4:202272:223807,O=C(C1CCCN(Cc2ccc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3)cc2)C1)N1CCSCC1,GDNQJUZRADCQIX-UHFFFAOYSA-N
-rxn:4:202279:224703,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1cc(C2CCCC2)cc(C(F)(F)F)c1,SFBQXAFRYWROAP-UHFFFAOYSA-N
-rxn:4:202280:222684,Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,PEFGFOVLTMFFDJ-UHFFFAOYSA-N
-rxn:4:202287:225567,Cc1cc(-c2ccccc2C(=O)N2CCCSCC2CN2CCOCC2)ccc1C(=O)OC(C)C,HYAAJSYGQMVKCR-UHFFFAOYSA-N
-rxn:4:202290:222632,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)C1,PVIGZMWZCYWUSG-UHFFFAOYSA-N
-rxn:4:202290:226844,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)C1,GSNWCZLXCOICCY-UHFFFAOYSA-N
-rxn:4:202293:222684,CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1,KDKBWORLZKJGNI-UHFFFAOYSA-N
-rxn:4:202300:222684,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,LLSVNMFLESQVFX-UHFFFAOYSA-N
-rxn:4:202305:222684,CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,KNOBWENFUPGPKY-UHFFFAOYSA-N
-rxn:4:202307:222684,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2C(C)C)CC1,IVEJZEJHJULKQQ-UHFFFAOYSA-N
-rxn:4:202310:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,DNTHFTJPBHKYRL-UHFFFAOYSA-N
-rxn:4:202310:223288,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,GTUDBIDAWDRMDF-UHFFFAOYSA-N
-rxn:4:202318:222684,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)oc2N2CCOCC2)cc1,OHJAGBVMTLUPAH-UHFFFAOYSA-N
-rxn:4:202319:222684,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2c2ccccc2Cl)cc1,KSOAWJKPTAYMRK-UHFFFAOYSA-N
-rxn:4:202319:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5ccccc5Cl)C4)cc3)c(F)c2)CC1,WVKBKCUEHWNIIK-UHFFFAOYSA-N
-rxn:4:202321:224509,N#Cc1ccc(Oc2ccc(-c3ccc(CN4CCCC(C(F)(F)F)C4)c(N4CCCCC4)c3)cc2)cc1,DDIYLCPOLPYGEK-UHFFFAOYSA-N
-rxn:4:202333:222684,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,IKKOGIAMWKTBSL-UHFFFAOYSA-N
-rxn:4:202334:222632,COc1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)ccc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,FYXKDXRIDWQZLH-UHFFFAOYSA-N
-rxn:4:202335:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccc(OC)cc5)C4=S)cc3)cc2)CC1,CQZZOPBAGHAEFN-UHFFFAOYSA-N
-rxn:4:202338:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1,XBANEFANOPNBIT-UHFFFAOYSA-N
-rxn:4:202340:223239,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cncc(C5CCCN5)c4)o2)CC3)ccc1F,VBQKCHOWZLLDLR-UHFFFAOYSA-N
-rxn:4:202342:226366,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4ccnc(N5CCCCC5)c4)c3)CC2)c(C)c1,WDWQKQLBNCKXNC-UHFFFAOYSA-N
-rxn:4:202347:222684,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c2)CC3)cc1,PKWURBXBEJSPJS-UHFFFAOYSA-N
-rxn:4:202350:228874,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(C#N)cnc4Cl)c2)CC3)ccc1F,VSNDTECPBOKDDL-UHFFFAOYSA-N
-rxn:4:202352:224259,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccc(-c4ccc(C(F)(F)F)cc4)cc2)CC3)ccc1F,VIOFDVKMSVDCNX-UHFFFAOYSA-N
-rxn:4:202391:222540,CCOC(=O)c1cn2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc(C(F)(F)F)c2n1,INCZCJWMWZDYIO-UHFFFAOYSA-N
-rxn:4:202469:222684,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2C1C#N,SSLGEHRJPZTBMP-UHFFFAOYSA-N
-rxn:4:202539:225292,COC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)ccc3[nH]2)CC1,FLPZXCVAVVFLCV-UHFFFAOYSA-N
-rxn:4:202596:224672,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccc(N5CCN(CC)CC5)cc4Cl)cc32)SC1=S,LOQBDYVYNRQDRN-UHFFFAOYSA-N
-rxn:4:202621:222540,COCCn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)nc(=S)c2c1CCCC2,XNLPNAFFAOFSDU-UHFFFAOYSA-N
-rxn:4:202641:222684,COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2S1(=O)=O,SXCSLQDZKISHFM-UHFFFAOYSA-N
-rxn:4:202647:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5cccc6cccnc56)C4)cc3)cc2F)CC1,QSFLLTZAHDSAFA-UHFFFAOYSA-N
-rxn:4:202670:222598,Cc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccccc34)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,XQIXEQGJGHMQAP-UHFFFAOYSA-N
-rxn:4:202673:222684,O=C(c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCC1,PPJXWGNWHKDISC-UHFFFAOYSA-N
-rxn:4:202675:222540,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c2cccnc21,KSHTTYVBZIZLLI-UHFFFAOYSA-N
-rxn:4:202707:223893,CCN1CCN(CCOc2cccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)c2)CC1,UGBMBLAHZKNHOK-UHFFFAOYSA-N
-rxn:4:202707:225048,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3F)C3CS(=O)(=O)CC32)c1,AUPDSCHZGYRIBV-UHFFFAOYSA-N
-rxn:4:202707:225223,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(N5CCC(C)CC5)cc4F)cc3F)C3CS(=O)(=O)CC32)c1,MMBGXNFBXKBYPT-UHFFFAOYSA-N
-rxn:4:202707:225228,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3F)C3CS(=O)(=O)CC32)c1,SJMUWWYPZSVEGP-UHFFFAOYSA-N
-rxn:4:202707:225294,CCN1CCN(c2ncc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)cn2)CC1,UEHVPTPQRYUCPA-UHFFFAOYSA-N
-rxn:4:202707:226844,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,KEVFMHGJGMTYPQ-UHFFFAOYSA-N
-rxn:4:202709:222684,CSc1cccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c3ccccc3S2(=O)=O)c1,NWLXDOPOAGXGSE-UHFFFAOYSA-N
-rxn:4:202713:224756,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cc(F)ccc4C(=O)N4CCOCC4)ccc3C2=O)CC1,IBJQXGXLPHVHCD-UHFFFAOYSA-N
-rxn:4:202723:222684,O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCCC1,APGMYNSVEXBBLH-UHFFFAOYSA-N
-rxn:4:202727:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(N2CCc3sccc3C2)CC1,FDIVQIXMALHSQK-UHFFFAOYSA-N
-rxn:4:202730:223960,CCN1CCN(C(=O)c2cc(-c3ccc4oc(C(=O)N5CCN(c6ccccc6OC)CC5)c(C)c4c3)ccc2F)CC1,ZBPNZTZAZLZBTA-UHFFFAOYSA-N
-rxn:4:202733:222684,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3F)C3CS(=O)(=O)CC32)cc1,UGFWTKAUDCAUBD-UHFFFAOYSA-N
-rxn:4:202734:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)cc3)cc2)CC1,XBILJQODSXIVCU-UHFFFAOYSA-N
-rxn:4:202743:222684,CCc1ccc(N2CCN(C(=O)c3cc4cc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)ccc4oc3=O)CC2)cc1,JRJMFJDNYGBXDM-UHFFFAOYSA-N
-rxn:4:202752:222684,O=C1C2ON(c3ccccc3)C(C=Cc3ccccc3)C2C(=O)N1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,KVHYQIQXSCMZGK-UHFFFAOYSA-N
-rxn:4:202756:223895,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(OCCN4CCN(CC)CC4)cc3)ccc21,XYWCAEUITUBBID-UHFFFAOYSA-N
-rxn:4:202764:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)ON3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)CC1,YHSCBHVMXMANFZ-UHFFFAOYSA-N
-rxn:4:202778:225546,CCn1c2c(c3cc(-c4c(OC)cccc4OCC(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,DPSIQRDUXJAIOY-UHFFFAOYSA-N
-rxn:4:202784:222540,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,ADXKIRURMCRSTC-UHFFFAOYSA-N
-rxn:4:202807:222455,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1,GZPWYVXZMLAECE-UHFFFAOYSA-N
-rxn:4:202807:222516,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1,LKQKHNVGEYSGIR-UHFFFAOYSA-N
-rxn:4:202807:222563,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1,QEEIKTOJBDRBKS-UHFFFAOYSA-N
-rxn:4:202807:222962,CCCCNC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,RTYSENIGHBZVJG-UHFFFAOYSA-N
-rxn:4:202807:223000,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1,IREQUDNVDNDQOU-UHFFFAOYSA-N
-rxn:4:202807:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)c1,GSPMYQPCZZDHES-UHFFFAOYSA-N
-rxn:4:202807:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,GCIFWUYCEGJXRY-UHFFFAOYSA-N
-rxn:4:202807:224356,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cc1,FPWWFUMISXBKFS-UHFFFAOYSA-N
-rxn:4:202807:225098,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCCC3)nc2)cc1,ZSCBTDULBCSDOP-UHFFFAOYSA-N
-rxn:4:202807:225632,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1,AYIKEPASXJJICJ-UHFFFAOYSA-N
-rxn:4:202807:226411,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCOCC3)cc2)cc1,YHLKSXMVZGSCIT-UHFFFAOYSA-N
-rxn:4:202807:226990,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCN(C)C)cc2)cc1,UAQXOIWOCULWGG-UHFFFAOYSA-N
-rxn:4:202807:227084,Cc1nc(C(C)(C)C)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,IVPPYWLQWFTGPW-UHFFFAOYSA-N
-rxn:4:202807:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,QFCKSRWMBIPUAM-UHFFFAOYSA-N
-rxn:4:202807:227736,Cc1ncc(C(F)(F)F)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,RUSLXBUYZCGMLX-UHFFFAOYSA-N
-rxn:4:202817:224198,CCc1cccc(N2C(=O)N(C(=O)c3ccc(-c4ccc(CN5CCN(CC)CC5)cc4F)cc3)C3CC2(C)Oc2ccccc23)c1,VIFATZGNZOJZLM-UHFFFAOYSA-N
-rxn:4:202883:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nn1C(F)F,TXXVOCBKRFCYJA-UHFFFAOYSA-N
-rxn:4:203222:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)nc3)cc2)CC1,JOEQTYBLORYPRB-UHFFFAOYSA-N
-rxn:4:203403:223712,COc1ccc(-c2cnc(C(=O)N3CC(OC)C3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,FDQXVXBPERGKCF-UHFFFAOYSA-N
-rxn:4:203531:222684,CSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,SYMGNLURROIRFH-UHFFFAOYSA-N
-rxn:4:203544:225336,O=C(c1ccc([N+](=O)[O-])cc1-c1ccc(COCC(F)(F)F)cc1F)N1CCC(F)(F)C1,KMPZYIIOTDIUSG-UHFFFAOYSA-N
-rxn:4:203597:222684,O=C(c1cc([N+](=O)[O-])ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1)N1CCOCC1,AVQYQXYHOCYKCY-UHFFFAOYSA-N
-rxn:4:203633:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(CN4CCOCC4)cc([N+](=O)[O-])c3)cc2)CC1,KYJVCAJAAOXVKY-UHFFFAOYSA-N
-rxn:4:203692:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,BDTRDULEHGAPAJ-UHFFFAOYSA-N
-rxn:4:203696:225723,CN(C)CCOc1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1Cl,ZQGCUHLOOLRRMO-UHFFFAOYSA-N
-rxn:4:203703:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnc(C(=O)N3CCC(C(F)(F)F)CC3)c(Cl)c2)c1,ZCRMHSHDZBLIKR-UHFFFAOYSA-N
-rxn:4:203712:224492,O=C(CCc1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1)N1CCCC1,NWYXSWMGMNROPC-UHFFFAOYSA-N
-rxn:4:203717:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(OC(C)(C)C)nc(C(C)C)n1,SPIFPQMBEMGNNP-UHFFFAOYSA-N
-rxn:4:203721:222684,O=[N+]([O-])c1cc(CN2CCCCC2)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,DHNNGMQKTVIEEP-UHFFFAOYSA-N
-rxn:4:203766:222632,O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=Cc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,GSHFQGFCZPQLGD-UHFFFAOYSA-N
-rxn:4:203796:222684,O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,FZGJJQISZWKTDH-UHFFFAOYSA-N
-rxn:4:203840:222684,CN1C(=O)C(CC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C(=O)N(C)C1=O,HOILNZCVANNZFD-UHFFFAOYSA-N
-rxn:4:203852:222684,COc1ccc(N2C(=O)C(=O)N(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2=S)cc1,FCCDKYSLELXAKF-UHFFFAOYSA-N
-rxn:4:203885:224252,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)c2)CC1,USGXMVJGKGAQIG-UHFFFAOYSA-N
-rxn:4:203899:224817,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc(N2CCN(C)CC2)c1,SVDCAEZKLBXONR-UHFFFAOYSA-N
-rxn:4:203903:224904,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2F)CC1,QTOWXXJMCXFTKD-UHFFFAOYSA-N
-rxn:4:203910:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-n3cccc3C(=O)N3CCOCC3)cc2)CC1,TWNQEQGHJMNABP-UHFFFAOYSA-N
-rxn:4:203957:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc(N2CCN(C(=O)C(C)C)CC2)c1,LKZGERMOBOJWHM-UHFFFAOYSA-N
-rxn:4:203992:222684,CC(C)N1CCN(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,JYFOIARNRFEZBX-UHFFFAOYSA-N
-rxn:4:204014:222684,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,ZXGKISIPHPTGFF-UHFFFAOYSA-N
-rxn:4:204018:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCN(S(C)(=O)=O)C(C)C2)cc1,SYEQNGXAQAPICV-UHFFFAOYSA-N
-rxn:4:204027:222695,Cc1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)cc1S(=O)(=O)NC1CCCC1,ZXSSZMPUIFFBIO-FQEVSTJZSA-N
-rxn:4:204029:222684,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,YYPGHNJFYAEUBN-UHFFFAOYSA-N
-rxn:4:204031:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccccc3N3CCN(S(=O)(=O)C(C)C)CC3)cnc21,VGJZINGKKDFRCF-UHFFFAOYSA-N
-rxn:4:204046:222684,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,RHWBFHIOKWIKEF-UHFFFAOYSA-N
-rxn:4:204046:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)CSC4=O)CC3)c(F)c2)CC1,DKDLMLJONDHSTO-UHFFFAOYSA-N
-rxn:4:204047:222684,CC1(C)N=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C(=S)N1C(=O)c1ccccc1,OQQCGPXHUTWHSD-UHFFFAOYSA-N
-rxn:4:204048:222684,CC1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,ATSQRTLUTWALSD-UHFFFAOYSA-N
-rxn:4:204072:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)N4CCN(C(C)C)CC4)ccc3C)cc2)CC1,RCOWAXRZWSETGK-UHFFFAOYSA-N
-rxn:4:204078:222684,Cc1ccc(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(C)(=O)=O)cc1,NCKTVQGLAACZKO-UHFFFAOYSA-N
-rxn:4:204078:223568,Cc1ccc(C2CC(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)=NN2S(C)(=O)=O)cc1,ZGWGZHYDBSWXDV-UHFFFAOYSA-N
-rxn:4:204114:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCN(C5CCSCC5)CC4)o3)c(F)c2)CC1,DJQRAPFMUPJLNX-UHFFFAOYSA-N
-rxn:4:204114:227499,CCN(C)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cnc1Cl,FNENVZMDZHAUON-UHFFFAOYSA-N
-rxn:4:204122:223755,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)nc2)cc1,GUFWGKVBOZDZTG-UHFFFAOYSA-N
-rxn:4:204125:222684,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)cc1Cl,UAWJCRLRYHWOCF-UHFFFAOYSA-N
-rxn:4:204127:222684,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=NC12CCCC2,JRSDMWNOQIDURK-UHFFFAOYSA-N
-rxn:4:204128:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1C(=S)C(c2ccccc2)=NC12CCCC2,OSGDKAIVTOYCFG-UHFFFAOYSA-N
-rxn:4:204134:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,SKTSHFCIVCIBRD-UHFFFAOYSA-N
-rxn:4:204134:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,FYQVRGMKMWRNOO-UHFFFAOYSA-N
-rxn:4:204143:222684,Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)c1C,NKLYEKALOLNKLA-UHFFFAOYSA-N
-rxn:4:204145:222684,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)c(C)c1,VMPWKBQNRZGXRQ-UHFFFAOYSA-N
-rxn:4:204146:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(N2CCCCC2)c1,SFVPHVQXBYYMKY-UHFFFAOYSA-N
-rxn:4:204153:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)c2)CC1,RZAZATKKJMITLF-UHFFFAOYSA-N
-rxn:4:204154:224313,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C,LOSXHFMPXNBXBP-UHFFFAOYSA-N
-rxn:4:204161:222684,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC23CCCC3)cc1,VKQSGGZEGYYVOA-UHFFFAOYSA-N
-rxn:4:204161:225723,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCC3)cc1,DCTYAQLYTALPBY-UHFFFAOYSA-N
-rxn:4:204162:225723,CN(C)CCOc1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1Cl,YHIZSMSLLMILTA-UHFFFAOYSA-N
-rxn:4:204163:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2,ICYBXAHACBGWQE-UHFFFAOYSA-N
-rxn:4:204163:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC45CCCCC5)cc3)c2)CC1,LTWUOOAOFMAVHE-UHFFFAOYSA-N
-rxn:4:204176:223279,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,LFKSRXYXNDXBQK-UHFFFAOYSA-N
-rxn:4:204176:224612,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NC12CCCCCC2,WQTSJAYDGPREGF-UHFFFAOYSA-N
-rxn:4:204182:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,ONVSLAAXALEDGU-UHFFFAOYSA-N
-rxn:4:204183:222684,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)CC2)c(C)c1,SALJXCNIVVZJPT-UHFFFAOYSA-N
-rxn:4:204293:223536,CCOC(=O)c1c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2[nH]ccc2c1Cl,SPXNSYDZFMFOMO-UHFFFAOYSA-N
-rxn:4:204350:223945,COCn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C12COCC1O2,WFCCEUWLGRCCTF-UHFFFAOYSA-N
-rxn:4:204574:224598,COc1cc(N2CCC(C)CC2)ccc1-c1c(COC2CCCCO2)nn2c1CCC2,FYPOJQMPVIHUGI-UHFFFAOYSA-N
-rxn:4:204584:223753,Cc1ccc(-c2ccc3nc(N(C)CC4COCCO4)sc3c2)cc1OCCCN1CCN(C)CC1,YMVDVJYQJJXLEG-UHFFFAOYSA-N
-rxn:4:204605:222647,Cc1cc(-c2cnc3c(c2)C(C)CN3C(=O)OC(C)(C)C)c(C)cc1NC(=O)OC(C)(C)C,FSEZUMCTNFMCKN-UHFFFAOYSA-N
-rxn:4:204683:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,CALGCWDPVOLKSI-UHFFFAOYSA-N
-rxn:4:204725:224189,COc1cc(-c2cncc(C(=O)N3CCC(c4ccc5c(c4)CCO5)C3)c2)ccc1O[Si](C)(C)C(C)(C)C,QUIIVCAOJQCSCD-UHFFFAOYSA-N
-rxn:4:204751:224609,CC(C)N(C(=O)c1ccncc1-c1cccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)c1)C(C)C,VBTFAJHHSFCDQX-UHFFFAOYSA-N
-rxn:4:204764:228584,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(C4CC4)c3)cc2)C1,UWCNTXGYDGCJJZ-UHFFFAOYSA-N
-rxn:4:204786:225223,CC1CCN(c2cc(F)c(-c3cccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccccc54)c3)cn2)CC1,XCMDOSSNVJDVRA-UHFFFAOYSA-N
-rxn:4:204795:224359,CCN(CC)C(=O)c1cc(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccccc5F)CC4)cc3c2)cc([N+](=O)[O-])c1,IMHTVHOJMKTHOT-UHFFFAOYSA-N
-rxn:4:204805:222684,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,NQCJWZRUIPGFNE-UHFFFAOYSA-N
-rxn:4:204805:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,DHFBIVSYTPGTLI-UHFFFAOYSA-N
-rxn:4:204807:222637,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,XVWYLCFXIOXVJV-UHFFFAOYSA-N
-rxn:4:204819:222684,Cc1ccc(Cl)cc1N1C(=O)N(Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2ccccc2S1(=O)=O,BFVMOESETTXXIA-UHFFFAOYSA-N
-rxn:4:204820:222684,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S1(=O)=O,QNNBNKFGONZLEU-UHFFFAOYSA-N
-rxn:4:204821:222684,Cc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3F)c3ccccc3S2(=O)=O)cc1,WSLWDVLPPLTDFE-UHFFFAOYSA-N
-rxn:4:204823:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4C(=O)N(c5ccc(C)c(F)c5)S(=O)(=O)c5ccccc54)cc3)c2)CC1,UMMWQZIEOWHALF-UHFFFAOYSA-N
-rxn:4:204825:222684,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)c2ccccc2S1(=O)=O,SXUGVGWZJIEOOP-UHFFFAOYSA-N
-rxn:4:204831:222684,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,SRLKEAWXBLFIDH-UHFFFAOYSA-N
-rxn:4:204833:223755,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,FODKSKPMJYJRHO-UHFFFAOYSA-N
-rxn:4:204834:222684,O=C(C1=CN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,FPTWOEBEXKKVDT-UHFFFAOYSA-N
-rxn:4:204834:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,BFPDEEZYNIFINB-UHFFFAOYSA-N
-rxn:4:204834:223992,Cc1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)cc1S(=O)(=O)N1CCN(C)CC1,WRTCUTYODDGVLC-UHFFFAOYSA-N
-rxn:4:204835:222684,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,OPMPNEALOPVSIM-UHFFFAOYSA-N
-rxn:4:204835:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2[N+](=O)[O-])CC1,WUMOCAOCPXGWHA-UHFFFAOYSA-N
-rxn:4:204835:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2F)CC1,AOKQMDKREPOAMS-UHFFFAOYSA-N
-rxn:4:204835:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2)CC1,QYTJAJWBXXCFTQ-UHFFFAOYSA-N
-rxn:4:204842:225723,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(OCCN(C)C)c(Cl)c1,GNBUDWZBRKDURJ-UHFFFAOYSA-N
-rxn:4:204850:222684,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)c1,SJWMZVNSEUQRFS-UHFFFAOYSA-N
-rxn:4:204851:222684,Cc1cccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c3ccccc3S2(=O)=O)c1C,ABWNPYRHPRYULF-UHFFFAOYSA-N
-rxn:4:204852:222684,Cc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)c1C,TWFMNMDILQSWJW-UHFFFAOYSA-N
-rxn:4:204852:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cccc(C)c5C)S(=O)(=O)c5ccccc54)cc3)c(F)c2)CC1,HIZMKDWAOZXCGK-UHFFFAOYSA-N
-rxn:4:204853:222684,Cc1cccc(C)c1N1C(=O)N(Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2ccccc2S1(=O)=O,HBRHKNDQNDVKPF-UHFFFAOYSA-N
-rxn:4:204854:222684,Cc1cccc(C)c1N1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S1(=O)=O,QHJQNTMZEPXQAT-UHFFFAOYSA-N
-rxn:4:204859:222684,Cc1cccc(C)c1N1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)c2ccccc2S1(=O)=O,BBCINBVQZUSVSF-UHFFFAOYSA-N
-rxn:4:204864:225232,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,ZETABJXHCWLWBQ-UHFFFAOYSA-N
-rxn:4:204864:227441,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(C2CCC2)c(Cl)c1,NXDAFEUIQXIXOK-UHFFFAOYSA-N
-rxn:4:204865:224612,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)c3ccccc3S2(=O)=O)CC1,AAGXEVXNCONNPS-UHFFFAOYSA-N
-rxn:4:204866:226112,Cc1cc(OCC2CC2)ccc1-c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1,FAOYFMXXUFONET-UHFFFAOYSA-N
-rxn:4:204866:226844,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c3ccccc3S2(=O)=O)CC1,OOKKZOPZJSXCOI-UHFFFAOYSA-N
-rxn:4:204870:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)cc1OCCCN1CCN(C)CC1,LTEHQZPWVUXOPE-UHFFFAOYSA-N
-rxn:4:204874:223239,O=C1C2C(c3ccc(-c4cncc(C5CCCN5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,FKWPYJZIRWPKCN-UHFFFAOYSA-N
-rxn:4:204914:222684,CC(C)(C)OC(=O)N1CCCc2[nH]c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3c2C1,SZGSUENAMONPNU-UHFFFAOYSA-N
-rxn:4:205897:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3nc(C(=O)N4CCOCC4)cs3)c2Cl)CC1,SEJBWPAHCXAVSQ-UHFFFAOYSA-N
-rxn:4:206280:224326,Cc1cc(-c2cnc(C(=O)N3CCC(F)(F)C3)c(F)c2)ccc1S(=O)(=O)N1CCCCC1,JHOZXTDEXRNGGS-UHFFFAOYSA-N
-rxn:4:206487:223787,CCc1nc(N2CCOCC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YKMKNMXDDCZGNI-UHFFFAOYSA-N
-rxn:4:206690:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)CC1,CMIWCYJEYZYBNQ-UHFFFAOYSA-N
-rxn:4:206694:222514,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)NC1CCCCC1,WJIJCHYWWYKDCL-UHFFFAOYSA-N
-rxn:4:206718:222584,Cc1cc(C(=O)N2CCOCC2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,IOQMSDJCGLVHJM-UHFFFAOYSA-N
-rxn:4:206749:222524,O=[N+]([O-])c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1N1CCCC(F)(F)C1,VZEXHAGZAZNFNU-UHFFFAOYSA-N
-rxn:4:206752:222799,Cc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(F)(F)CC2)ccc1S(=O)(=O)NC(C)(C)C,SGBGMLUNLGEILJ-UHFFFAOYSA-N
-rxn:4:206771:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(C(F)(F)F)cnc3N3CCC(F)(F)CC3)cc2)C1,ULQFYLCSHJROGW-UHFFFAOYSA-N
-rxn:4:206778:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(OC3CCN(C)CC3)n2)CC1,XRFJZBOBUBWXLF-UHFFFAOYSA-N
-rxn:4:206797:222684,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,FKLYFLKZEPSQGI-UHFFFAOYSA-N
-rxn:4:206807:222684,O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1,KLJZNIDORLZXHD-UHFFFAOYSA-N
-rxn:4:206807:224612,O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1,HZXMCJDWPZETSO-UHFFFAOYSA-N
-rxn:4:206814:224845,CC(C)(C)c1cc(-c2ccc(N3C(=O)CC(=O)N(C4CC4)C3=O)cc2)cc(C(C)(C)C)c1,IECGOICMLHAKMX-UHFFFAOYSA-N
-rxn:4:206938:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCCCCC3)cc2)CC1,UXOAMIRAUCQCFD-UHFFFAOYSA-N
-rxn:4:206939:222684,Cc1cc(N2CCCCC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1[N+](=O)[O-],CDUITHYYNHVXOL-UHFFFAOYSA-N
-rxn:4:206944:222684,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,IPGFUIYNVPYKAF-UHFFFAOYSA-N
-rxn:4:206955:222694,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2)CC1,YEDCCUXJZYOLNQ-UHFFFAOYSA-N
-rxn:4:206956:222684,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,YHSWKCIBVLEDEQ-UHFFFAOYSA-N
-rxn:4:206957:223569,CC1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)CC1,QCFHZKJZOOONEY-UHFFFAOYSA-N
-rxn:4:206963:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)cnc21,VUFWRFHDTDPWKE-UHFFFAOYSA-N
-rxn:4:206991:222684,CN(C)C=C1C(=O)N(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CS1(=O)=O,UYTKQKOXHDGCHQ-UHFFFAOYSA-N
-rxn:4:206991:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CS(=O)(=O)C(=CN(C)C)C4=O)cc3)c(F)ccc21,ZJDSQHALYFNEGR-UHFFFAOYSA-N
-rxn:4:207007:222684,O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,KRHSUNRCXCHHNS-UHFFFAOYSA-N
-rxn:4:207056:224663,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(CN3CCN(C)CC3)c(F)c2)CC1,FTQFCKSHGFZKGQ-UHFFFAOYSA-N
-rxn:4:207056:224664,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cc(F)cc(CN3CCN(C)CC3)c2)CC1,ZFVPRVGTBJKEOB-UHFFFAOYSA-N
-rxn:4:207056:224777,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cnc(C3CCCC3)c(C(F)(F)F)c2)CC1,YMCMCNATVZQLNE-UHFFFAOYSA-N
-rxn:4:207057:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,DSSRSNKHGLMXFR-UHFFFAOYSA-N
-rxn:4:207057:224672,CCN1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c(Cl)c2)CC1,ZMOWRAVXQQSZKF-UHFFFAOYSA-N
-rxn:4:207057:224782,Cc1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PSOZAMZQHKFOSY-UHFFFAOYSA-N
-rxn:4:207058:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)CC1,DKKNTVNKRLJDPH-UHFFFAOYSA-N
-rxn:4:207058:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c(Cl)c2)CC1,FFPGSZRQQNHWEV-UHFFFAOYSA-N
-rxn:4:207058:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cn2)CC1,ZKGMXDHFGAKZTC-UHFFFAOYSA-N
-rxn:4:207058:224782,Cc1cc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,MBIBQEIDGHTSLG-UHFFFAOYSA-N
-rxn:4:207059:224659,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cccc(C(=O)N2CCN(C)CC2)c1,NAPFRUQORMZHGS-UHFFFAOYSA-N
-rxn:4:207059:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C)c2)CC1,MOVFILJXRRSBGW-UHFFFAOYSA-N
-rxn:4:207059:224704,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,WZTPPOPFLBLLEN-UHFFFAOYSA-N
-rxn:4:207059:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C)cn2)CC1,NAKGBZBOYRKJQP-UHFFFAOYSA-N
-rxn:4:207059:224782,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,LWZNUEAVVLDFHW-UHFFFAOYSA-N
-rxn:4:207060:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCCN(C)CC4)cc3)c2)CC1,DRTBHDRTAHLAMH-UHFFFAOYSA-N
-rxn:4:207061:224668,CCN1CCN(c2cc(F)cc(-c3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)c2)CC1,UGSDYBCAGUEZLW-UHFFFAOYSA-N
-rxn:4:207061:224672,CCN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)c(Cl)c2)CC1,AIHGPSCMUYHNOX-UHFFFAOYSA-N
-rxn:4:207061:224810,CN1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,MQOCWHTXGBXLMR-UHFFFAOYSA-N
-rxn:4:207062:224659,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(C(=O)N2CCN(C)CC2)c1,VWGFHFHFYISPHK-UHFFFAOYSA-N
-rxn:4:207062:224668,CCN1CCN(c2cc(F)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)c2)CC1,BKQQOVKWZROHCC-UHFFFAOYSA-N
-rxn:4:207062:224704,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,DJJGDTAWZLUWKB-UHFFFAOYSA-N
-rxn:4:207062:224746,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)cn2)CC1,KBOLHNMAVNTARD-UHFFFAOYSA-N
-rxn:4:207062:224775,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1,LLTWRGQSFMPRQL-UHFFFAOYSA-N
-rxn:4:207062:224782,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,GQOZDWOVGZEOQA-UHFFFAOYSA-N
-rxn:4:207064:224746,CC(=O)N1CCN(c2ccc(-c3cc(C)c(Cl)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,ZHGASDKSVMRCBM-UHFFFAOYSA-N
-rxn:4:207077:224723,CCN(CC)S(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC(=C4CCC4)CC3)c2)c(C)c1,XEIPFESEBDNJLN-UHFFFAOYSA-N
-rxn:4:207077:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cncc(C(=O)N3CCC(=C4CCC4)CC3)c2)c1,VTUSAMRJCUNTBA-UHFFFAOYSA-N
-rxn:4:207077:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cncc(C(=O)N2CCC(=C3CCC3)CC2)c1,WVBZZTXKSZXBHM-UHFFFAOYSA-N
-rxn:4:207077:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CCC(=C3CCC3)CC2)c1,PDRUYMFVLKYPKO-UHFFFAOYSA-N
-rxn:4:207078:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCN(C)CC4)c(C)cc3C)cn2)CC1,VJRFXXZCSWYSMN-UHFFFAOYSA-N
-rxn:4:207085:224658,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,JZQKQVGVFUOAJY-UHFFFAOYSA-N
-rxn:4:207085:224746,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cn2)CC1,UGXIUAIASBZCPR-UHFFFAOYSA-N
-rxn:4:207786:222684,NS(=O)(=O)c1ccc(N2Cc3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3OCC2=O)cc1,IPSVJQUPRTWFHD-UHFFFAOYSA-N
-rxn:4:207788:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)cc1,IHYIKZSHIXVJPO-ZZHFZYNASA-N
-rxn:4:207818:223279,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JFJUTQBIESBCPY-UHFFFAOYSA-N
-rxn:4:207834:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C,RQHPLECOKOGVET-UHFFFAOYSA-N
-rxn:4:207852:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)N(c5ccccc5C)C5CS(=O)(=O)CC54)cc3)cc2)CC1,NMEMOFMMJRMNBP-UHFFFAOYSA-N
-rxn:4:207854:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,CGMSSBIFGKQMPQ-UHFFFAOYSA-N
-rxn:4:207856:225165,COc1cc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)ccc1N1CCOCC1,BXSGVCVAAMEMHO-UHFFFAOYSA-N
-rxn:4:209558:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cncc(N4CCOCC4=O)c3)c2)CC1,IENLHQIVUVMTMD-UHFFFAOYSA-N
-rxn:4:210592:223602,CC(=O)N1CCOc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cnc21,DSPRYBDSINPFQR-UHFFFAOYSA-N
-rxn:4:211058:222589,OC1CCN(CCOc2ccc(-c3ccc4ccc(N5CCC6(CC5)OCCO6)nc4c3)cc2Cl)CC1,RFGZVSUGIGVENP-UHFFFAOYSA-N
-rxn:4:211059:222684,CN1C(=O)C2(c3ccccc31)N(c1ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc1)C(=O)CS2(=O)=O,UNJLLCIMXFQALJ-UHFFFAOYSA-N
-rxn:4:211073:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N3CCCCC3=C(C#N)S4(=O)=O)c(F)ccc21,GCKDRWLMRKVOLE-UHFFFAOYSA-N
-rxn:4:211089:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)N3CCCCCC3=C(C#N)S4(=O)=O)ccc2F)CC1,FPICONRQLJDHTP-UHFFFAOYSA-N
-rxn:4:211099:222621,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)ccc2OC32CCCC2)cc1,IJGMPPOJRGDGTL-UHFFFAOYSA-N
-rxn:4:212521:223279,O=S(=O)(CCC(F)(F)F)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CZYZKQFFXMPGPC-UHFFFAOYSA-N
-rxn:4:212542:224501,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCC4CCCCN4C)cc3)cn2)C1,PAHWNEHPSJPOFD-UHFFFAOYSA-N
-rxn:4:212551:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OCc4ccccc4)C3)nc2)cc1,ALPIKRBPZHZNQR-UHFFFAOYSA-N
-rxn:4:212557:222684,O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,MOFKQPZFGVDSCB-UHFFFAOYSA-N
-rxn:4:212564:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)c3)cc2F)CC1,WKFLCJDOSOQBNS-UHFFFAOYSA-N
-rxn:4:212564:224612,O=C(c1cccc(-c2ccc(OCCN3CCOCC3)cc2)c1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,TVFZBTOKNFEEQL-UHFFFAOYSA-N
-rxn:4:212582:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)c1,KLYZVEKVWRVHIC-UHFFFAOYSA-N
-rxn:4:212584:222935,CC(C)N(Cc1nn(C)cc1-c1ccc(CNS(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C,RPSTYCPOPSPONH-UHFFFAOYSA-N
-rxn:4:212589:222684,O=C(CCc1ccccc1)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,STUXUXHYPISUQW-UHFFFAOYSA-N
-rxn:4:212591:222684,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)cc1,XNWSRJWGUXNMGN-UHFFFAOYSA-N
-rxn:4:212592:223095,CC(=O)Nc1cccc(-c2cccc(CCCC3(C(=O)N(C)C)CCN3C)n2)c1[N+](=O)[O-],YMWFSUHNWKSHIM-UHFFFAOYSA-N
-rxn:4:212593:222684,CN(C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,KTXBOJNNCXADTL-UHFFFAOYSA-N
-rxn:4:212593:223576,CN(C(=O)c1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,GEPNAXAIRIQCRZ-UHFFFAOYSA-N
-rxn:4:212594:226844,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,CSSCXIVKYWXWGE-UHFFFAOYSA-N
-rxn:4:212599:222684,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,QQIBQPFFAALILK-UHFFFAOYSA-N
-rxn:4:212610:222684,CCn1c(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)cnc1SCC(=O)N1CCCC1,HOFRYJOLOZQQFE-UHFFFAOYSA-N
-rxn:4:212621:222684,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,KHSZFBJLRHLFBR-UHFFFAOYSA-N
-rxn:4:212640:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N(CC)CC)c4C)cc3)ccc2F)CC1,VGDLUYRSWKYTON-UHFFFAOYSA-N
-rxn:4:212641:223239,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)o3)CC2)C1=O,TUZMGDFYPHPEFQ-UHFFFAOYSA-N
-rxn:4:212641:224370,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)C)o3)CC2)C1=O,DIZICEZKRYAAPM-UHFFFAOYSA-N
-rxn:4:212641:227457,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C)cn5c(C)nnc45)o3)CC2)C1=O,SMXCXKORZUNVBZ-UHFFFAOYSA-N
-rxn:4:212647:222684,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,GFFURLZVEJDEIV-UHFFFAOYSA-N
-rxn:4:212649:222684,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,GHMMCPMVOYBADE-UHFFFAOYSA-N
-rxn:4:212650:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,LOXPLPXLGPLSMN-UHFFFAOYSA-N
-rxn:4:212654:224612,CCn1c(-c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,ALBTUQZSVHAADH-UHFFFAOYSA-N
-rxn:4:212665:226429,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCC(C)C4)s3)cn2)C1,WGBNWSAFYKJRKA-UHFFFAOYSA-N
-rxn:4:212684:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(F)cc3)cc2)c1,DXVYGXJDSYXOGN-UHFFFAOYSA-N
-rxn:4:212698:222684,COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)o4)CC3)n2)cc1,ILPDOTGVDQCDFJ-UHFFFAOYSA-N
-rxn:4:212706:222684,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)cc1,RHRIHLBHTZARMK-UHFFFAOYSA-N
-rxn:4:212707:222684,COc1ccc(C2=NN(C(=O)c3ccccc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,SHGSFNWXLMCQSM-UHFFFAOYSA-N
-rxn:4:212708:222632,COc1ccc(C2=NN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,SPOLVZWGQUNKFI-UHFFFAOYSA-N
-rxn:4:212710:226011,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCC(F)(F)F)cc3)CC2)c1C,MKSXZKJVYUUUPR-UHFFFAOYSA-N
-rxn:4:212715:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4-c4cccc(Cl)c4)cc3)c2)CC1,WVYBQUCVUDBJHU-UHFFFAOYSA-N
-rxn:4:212730:222854,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5OC)cc4)C3)n2)c(OC)c1,ZJJVANFMTSLNFK-UHFFFAOYSA-N
-rxn:4:212740:223494,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c2)CC1,JWZCZLWGJGLYCN-UHFFFAOYSA-N
-rxn:4:212740:226844,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,PNCDIEGHACYNQK-UHFFFAOYSA-N
-rxn:4:212781:222684,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)sc2cc(S(N)(=O)=O)ccc21,ZNTGHFQCNZQNFW-UHFFFAOYSA-N
-rxn:4:212781:224198,CCN1CCN(Cc2ccc(-c3cccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)c3)c(F)c2)CC1,PAVLPWNOVNWDSS-UHFFFAOYSA-N
-rxn:4:212782:224589,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2ccc(F)cc2CN2CCC(C)CC2)sc2cc(S(N)(=O)=O)ccc21,CAGYMZFKEHRXMF-UHFFFAOYSA-N
-rxn:4:212784:222632,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cccc(C(=O)NCCN5CCCC5)c4)ccc32)CC1,KDBBSBCLRUQRPR-UHFFFAOYSA-N
-rxn:4:212798:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(COc4cccc5c4C(=O)N(N(C)c4ncc(C(F)(F)F)cc4Cl)C5=O)cc3)c2)CC1,SBHXDTDJVFFPFY-UHFFFAOYSA-N
-rxn:4:212809:225723,CN(C)CCOc1ccc(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCc4ccccc42)n3C)cc1Cl,OOPBGGKBHOSSJN-UHFFFAOYSA-N
-rxn:4:212814:225459,Cc1cccc(-c2cc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)ccn2)c1,QHRIFOICKNOBAU-UHFFFAOYSA-N
-rxn:4:212814:226569,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnn(Cc3ccncc3)c2)C1(C)C,CFSBEBNLNYVKNK-UHFFFAOYSA-N
-rxn:4:212827:222684,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3[nH]2)CC1,ZEUXCCUSMDKUGD-UHFFFAOYSA-N
-rxn:4:212827:223279,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3[nH]2)CC1,ZDBXXFDXKGAPON-UHFFFAOYSA-N
-rxn:4:212829:223858,COc1cc2c(cc1-c1ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c1)-c1ccccc1C2(C)C,UVCQQRABANTTDJ-UHFFFAOYSA-N
-rxn:4:212839:227625,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCCO5)nc4)ccn23)CC1,WTAKNPDINUQGPQ-UHFFFAOYSA-N
-rxn:4:212849:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,YYKDMWLNHIYSPW-UHFFFAOYSA-N
-rxn:4:212923:223753,Cc1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1OCCCN1CCN(C)CC1,KLXIPEFDZGEHFH-UHFFFAOYSA-N
-rxn:4:212931:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5cncc(OC)n5)C4)o3)cc2)CC1,IVFFDRFJRPKIEA-UHFFFAOYSA-N
-rxn:4:212935:224401,FC(F)(F)c1cnc(N2CC(COc3cccnc3)C2)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,XJMZIRFJHREBIY-UHFFFAOYSA-N
-rxn:4:212943:225728,CCCCOc1ccc(-c2cnc(N3CCN(C(=O)OCC)CC3)c(C(F)(F)F)c2)c(F)c1F,RNLXKNLARXMSOP-UHFFFAOYSA-N
-rxn:4:212948:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccnc4)cc3)cc2)CC1,ITTLDYIEEMLBIY-UHFFFAOYSA-N
-rxn:4:212964:225383,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C1,RUVHBNOHZLIYML-UHFFFAOYSA-N
-rxn:4:212966:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c1,XYNUJPKMFJFPKU-UHFFFAOYSA-N
-rxn:4:212989:222469,COc1ccc(CNC(=O)c2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)cc1,XGKPRTKTGUGDSD-UHFFFAOYSA-N
-rxn:4:212989:222470,COc1ccc(CNC(=O)c2cccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)cc1,LTALZSDZXAAXMW-UHFFFAOYSA-N
-rxn:4:212989:222562,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(C(=O)NCc4cccc(Cl)c4)c3)s2)CC1,PQJUXJZLMJEPAN-UHFFFAOYSA-N
-rxn:4:212989:222563,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(C(=O)NCc4cccc(F)c4)c3)s2)CC1,JZJJQOQJGSCZMI-UHFFFAOYSA-N
-rxn:4:212989:222565,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(C(=O)NCc4ccccc4Cl)c3)s2)CC1,OATUJJCEAKWKMT-UHFFFAOYSA-N
-rxn:4:212989:222570,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)s2)CC1,YUGJLMCFXDOKTM-UHFFFAOYSA-N
-rxn:4:212989:222574,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C(=O)NCc4ccccc4)ccc3Cl)s2)CC1,SOTGHBTXYTZFNJ-UHFFFAOYSA-N
-rxn:4:212989:222587,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)s2)CC1,PENKQHOKHKSYTC-UHFFFAOYSA-N
-rxn:4:212989:222777,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)s2)CC1,AKUYEOLGWGHIQL-UHFFFAOYSA-N
-rxn:4:212989:222961,CCCCNC(=O)c1cccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,STXFLSYHXFONTM-UHFFFAOYSA-N
-rxn:4:212989:222991,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(N4CCCC(O)C4)cc3)s2)CC1,QKNATBUNYZUYCV-UHFFFAOYSA-N
-rxn:4:212989:223004,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C4CCNCC4)c(F)c3)s2)CC1,SUMMFFGDZOQXQZ-UHFFFAOYSA-N
-rxn:4:212989:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,XUWONJASCYNGKW-UHFFFAOYSA-N
-rxn:4:212989:223099,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(NC(=O)C(F)(F)F)c3)s2)CC1,RAAMBZKZLBFISA-UHFFFAOYSA-N
-rxn:4:212989:223108,CC(C)CNCc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,KJHAEUYHTAWVJL-UHFFFAOYSA-N
-rxn:4:212989:223179,CONC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)ccc1F,NNFUZJWUQAUTMF-UHFFFAOYSA-N
-rxn:4:212989:223553,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)s2)CC1,MQBXNQQOJRLDFS-UHFFFAOYSA-N
-rxn:4:212989:223561,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(N(C(=O)OC(C)(C)C)c4ccccc4)cc3)s2)CC1,BEMDLJXXBWCGNA-UHFFFAOYSA-N
-rxn:4:212989:223598,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)s2)CC1,XTPZFGMFVXIPMZ-UHFFFAOYSA-N
-rxn:4:212989:223639,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)s2)CC1,NZNJHRGPEWDVQS-UHFFFAOYSA-N
-rxn:4:212989:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)s2)CC1,YLICMIIIFCVBGL-UHFFFAOYSA-N
-rxn:4:212989:223661,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)s2)CC1,YPOKFDCVZXMZNG-UHFFFAOYSA-N
-rxn:4:212989:223662,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])s2)CC1,LHNYXOLFUDUEOA-UHFFFAOYSA-N
-rxn:4:212989:223798,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)s2)CC1,UNVZVAZERJZTFI-UHFFFAOYSA-N
-rxn:4:212989:223817,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnn(CCN4C(=O)c5ccccc5C4=O)c3)s2)CC1,IRPVXBMDCKACCZ-UHFFFAOYSA-N
-rxn:4:212989:223847,CCCCCC1CCC(c2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,XPNWHEIAWNINJU-UHFFFAOYSA-N
-rxn:4:212989:223885,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)s2)CC1,ADBVRJLRNNPOJH-UHFFFAOYSA-N
-rxn:4:212989:223919,CN(C(=O)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1Cl)C1CCCCC1,LSDDOAQRCFBHFB-UHFFFAOYSA-N
-rxn:4:212989:223928,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)s2)CC1,FCYXLFOOVWDUMU-UHFFFAOYSA-N
-rxn:4:212989:223952,CN1CCN(CCOc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2Cl)CC1,LJCOJTRQHAIFSM-UHFFFAOYSA-N
-rxn:4:212989:224194,CCN1CCN(Cc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2Cl)CC1,CZTCRMSOSYXYIZ-UHFFFAOYSA-N
-rxn:4:212989:224286,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)s2)CC1,MKQNPISCTJCEKM-UHFFFAOYSA-N
-rxn:4:212989:224416,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)s2)CC1,VBLRAOMAUWFOCN-UHFFFAOYSA-N
-rxn:4:212989:224668,CCN1CCN(c2cc(F)cc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,LHZYMLFYABPNDH-UHFFFAOYSA-N
-rxn:4:212989:225330,COC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc(C(=O)OC)n1,AGQNVGNVDMPHGL-UHFFFAOYSA-N
-rxn:4:212989:225890,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnn(COCC[Si](C)(C)C)c3)s2)CC1,UVLSNFPHCDQPNC-UHFFFAOYSA-N
-rxn:4:212989:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnn(CCN4CCOCC4)c3)s2)CC1,RBGBSYKHNLYZOA-UHFFFAOYSA-N
-rxn:4:212989:226270,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(C=C(C#N)C#N)c3)s2)CC1,HLBHXDHSXYNVTK-UHFFFAOYSA-N
-rxn:4:212989:226567,COC(=O)C(=O)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,FKRPQLNENAIPPP-UHFFFAOYSA-N
-rxn:4:212989:226838,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(C#N)c(C(F)(F)F)c3)s2)CC1,IUGBOGZZBLWEJA-UHFFFAOYSA-N
-rxn:4:212989:226842,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cncc(C(=O)C(F)(F)F)c3)s2)CC1,ODVDQEKUSFSWTD-UHFFFAOYSA-N
-rxn:4:212989:226843,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(=O)C(F)(F)F)nc3)s2)CC1,LWLSBNSHDMWRFX-UHFFFAOYSA-N
-rxn:4:212991:226844,O=C(c1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccn1)C(F)(F)F,GQXOXTCKYILADU-UHFFFAOYSA-N
-rxn:4:213011:222584,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,YJRJAILWVYWCJJ-UHFFFAOYSA-N
-rxn:4:213038:222684,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c[nH]2)CC1,KRBKVBRUVNMDSK-UHFFFAOYSA-N
-rxn:4:213038:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)c[nH]2)CC1,DUKDPKOOXPCRKY-UHFFFAOYSA-N
-rxn:4:213041:222684,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,HMXIQLAPFKWMFB-UHFFFAOYSA-N
-rxn:4:213049:222684,CC1CCN(c2oc(COc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nc2C#N)CC1,GCEBTUDOOZTMFQ-UHFFFAOYSA-N
-rxn:4:213056:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCCN(C(=O)Cc5ccccc5Cl)C4)nc3)cc2)CC1,KQADWOIRANYZSQ-UHFFFAOYSA-N
-rxn:4:213057:223753,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)C2)c1F,PFTOQHCFYCEVEU-UHFFFAOYSA-N
-rxn:4:213058:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1,HDUXBQITJIWFQJ-UHFFFAOYSA-N
-rxn:4:213060:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccco6)cs5)CC4)o3)cc2)CC1,ZDZYCHRMKHFHPE-UHFFFAOYSA-N
-rxn:4:213061:222684,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,BGXSCWHEIJHWBD-UHFFFAOYSA-N
-rxn:4:213079:222684,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,AZMFKIGRWMDORI-UHFFFAOYSA-N
-rxn:4:213098:225347,CC(C)Oc1ncc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(F)(F)F,WBZDZFKMPUKIPM-UHFFFAOYSA-N
-rxn:4:213109:222684,O=S(=O)(c1ccccc1)N1CCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,VGIQMHHVLHDPSZ-UHFFFAOYSA-N
-rxn:4:213122:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CC(c4nc(-c5cccc(C(F)(F)F)c5)no4)C3)cc2)c1,QTUVGQSHLJVCEM-UHFFFAOYSA-N
-rxn:4:213123:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UBZLPEUQWFQZNW-UHFFFAOYSA-N
-rxn:4:213124:222622,CCC(C)c1cc(-c2cnc(N(CC(C)C)C3CCCCC3)c([N+](=O)[O-])c2)cc(C2CCCNC2)n1,YSFKGPBXYWBSSY-UHFFFAOYSA-N
-rxn:4:213126:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,XEFRNRKPEPJTDD-UHFFFAOYSA-N
-rxn:4:213127:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccn2)CC1,SGROTPINWCEICX-UHFFFAOYSA-N
-rxn:4:213132:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)cc1C,DHLQZNHTLGVSRL-UHFFFAOYSA-N
-rxn:4:213134:222546,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,WJNSDLGVWYYHEZ-UHFFFAOYSA-N
-rxn:4:213136:223712,COc1ccc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,LWGJKPXARGKIQM-UHFFFAOYSA-N
-rxn:4:213141:223753,Cc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])cc1OCCCN1CCN(C)CC1,KOOVLDCXPOXHMP-UHFFFAOYSA-N
-rxn:4:213144:225322,Cn1nc(C(F)(F)F)c2c(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cccc21,JPQDZBGIVDTLBR-UHFFFAOYSA-N
-rxn:4:213148:222684,COc1cccc(CN2CCC(Oc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)c1,CZMGOLCJBXBROH-UHFFFAOYSA-N
-rxn:4:213151:224378,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc(F)c2[N+](=O)[O-])CC1,PXTMRLZOCBMBDI-UHFFFAOYSA-N
-rxn:4:213153:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1,XZAQDGQHGHXQNR-UHFFFAOYSA-N
-rxn:4:213164:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)c1,YBCMYMMUJJZYBU-UHFFFAOYSA-N
-rxn:4:213169:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCCC4)nn3)cc2)c1,YDKCAJGICOJPFE-UHFFFAOYSA-N
-rxn:4:213169:222684,O=C(CSc1ccc(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)nn1)N1CCCCCC1,SOQMKRUXQCWNRM-UHFFFAOYSA-N
-rxn:4:213178:225172,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)c(C)o1,FKABIFKSFYXTMT-UHFFFAOYSA-N
-rxn:4:213184:222393,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cccc(C(=O)N[C@H]4CC[C@H](O)CC4)c3)CC2)nc1,PXNQJXKVXFFAND-DIVCQZSQSA-N
-rxn:4:213196:222584,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,RCXQIBFOPVIRTM-UHFFFAOYSA-N
-rxn:4:213211:222684,O=C(c1ccccc1)N1N=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1c1ccc([N+](=O)[O-])cc1,SPIZRTUCCKRXQF-UHFFFAOYSA-N
-rxn:4:213216:228466,COC(=O)c1sc(Cl)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,UBHWRGIIKGPRFC-UHFFFAOYSA-N
-rxn:4:213220:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c([N+](=O)[O-])c3)cc2)CC1,KQMUDLGIRAVUNQ-UHFFFAOYSA-N
-rxn:4:213222:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(C(C)(C)C)cs4)CC3)o2)cc1Cl,KAUSFKOJZFCIDW-UHFFFAOYSA-N
-rxn:4:213226:222684,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)[nH]1,XQTGYWSSJFQSBV-SANMLTNESA-N
-rxn:4:213236:223064,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C5CCNCC5)nc4F)cn3)C2)cc1C,SCAJOUHFLHFREN-UHFFFAOYSA-N
-rxn:4:213240:222540,COc1ccccc1C1CC(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)=NN1C(=O)c1ccncc1,WCOBQAWXIDELOK-UHFFFAOYSA-N
-rxn:4:213242:222684,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,CLSIWSBPKKEQCY-UHFFFAOYSA-N
-rxn:4:213268:222467,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,LOGFPIUQIZAAQF-LGGPFLRQSA-N
-rxn:4:213268:222684,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,CKRHBZUHEGKRTJ-IDISGSTGSA-N
-rxn:4:213268:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,QCUAKRISNLSJGY-FNZWTVRRSA-N
-rxn:4:213268:224077,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cn([Si](C)(C)C(C)(C)C)c5ccccc45)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AHOPXBJXNOXNHJ-ZTOMLWHTSA-N
-rxn:4:213272:222684,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,NYHKEOIQEXYHNK-UHFFFAOYSA-N
-rxn:4:213281:226957,Cc1ncc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2ccccc12,MRIHJRVIWIBPGP-UHFFFAOYSA-N
-rxn:4:213285:222684,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)c1,XXYRQOLKWDYAKE-UHFFFAOYSA-N
-rxn:4:213291:222684,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,FZJFPBQALGFJBL-UHFFFAOYSA-N
-rxn:4:213292:223960,CCN1CCN(C(=O)c2cc(-c3ccc(N4C(=O)CC(N5CCN(CC=Cc6ccccc6)CC5)C4=O)cc3)ccc2F)CC1,RGIZWKLZOJVMTH-UHFFFAOYSA-N
-rxn:4:213324:222684,C#CCn1c(=NC(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)sc2cc(S(N)(=O)=O)ccc21,FTFAHYGWVUWHSL-UHFFFAOYSA-N
-rxn:4:213330:222684,COc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,RGINIWLZUSPPBZ-UHFFFAOYSA-N
-rxn:4:213339:222684,Cn1nc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2c1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1,ULPXFXOFRSNDJC-UHFFFAOYSA-N
-rxn:4:213339:224668,CCN1CCN(c2cc(F)cc(-c3ccc4c(C(=O)N5CC(S(=O)(=O)Cc6ccco6)C5)n(C)nc4c3)c2)CC1,ZKIDCCSWZYMFDH-UHFFFAOYSA-N
-rxn:4:213355:222542,Cc1ccc(-c2ccc3c(C(=O)N4CC(S(=O)(=O)CC(C)C)C4)n(C)nc3c2)cc1OCCCN1CCNCC1,FZBMYMISPDUKAE-UHFFFAOYSA-N
-rxn:4:213363:222651,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cc(C(=O)NC6CCCCC6)ccc5F)c4)CC3)nc2c1,VPYBOEHLLBECOI-UHFFFAOYSA-N
-rxn:4:213371:223503,CCCc1cnc2c(c1SCc1ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc1)c(=O)n(C)c(=O)n2C,CBADAKSYVCLMBD-UHFFFAOYSA-N
-rxn:4:213373:223895,CCN1CCN(CCOc2ccc(-c3cccnc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2)CC1,WGOFMJAPNDJDGK-UHFFFAOYSA-N
-rxn:4:213377:225223,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cnc(N5CCC(C)CC5)cc4F)cc3)nc3ccccn3c2=O)SC1=S,LHMHQGWDURAURX-UHFFFAOYSA-N
-rxn:4:213380:226844,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2)N1CCCCC1,WKEUWCYQHCZTGP-UHFFFAOYSA-N
-rxn:4:213381:222684,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)cc3s2)CC1,NRRRCYZDBIIUNT-UHFFFAOYSA-N
-rxn:4:213392:222684,Clc1cc(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)ccc1OCCN1CCNCC1,SNQOUQBZNZAYKU-UHFFFAOYSA-N
-rxn:4:213412:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(C(=O)N5CCC(S(=O)(=O)CC(C)C)CC5)n(C)nc4c3)cc2)CC1,LSCHCUDDQPLQNA-UHFFFAOYSA-N
-rxn:4:213414:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[nH]1,IRAQSSSDYZEKMX-UHFFFAOYSA-N
-rxn:4:213447:222684,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,CRCTWOYSZVLPHB-UHFFFAOYSA-N
-rxn:4:213449:222545,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3c2-c2ccccc2)=NN1C(C)=O,SAHOBTSOXGJZEN-UHFFFAOYSA-N
-rxn:4:213459:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,MQRYUVOILMQGFF-XZZJRJTHSA-N
-rxn:4:213469:228959,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3c(F)ccc(F)c3Cl)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,XMEXJQYEEFZNES-INOCPDNRSA-N
-rxn:4:213470:223753,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c4)n(-c4ccccc4)c(=O)c23)C1,AGKQRIDYZDQFAH-UHFFFAOYSA-N
-rxn:4:213471:223876,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cc(C)c1OCc1ccccc1Cl,KAPAHPCYTKRIBK-UHFFFAOYSA-N
-rxn:4:213471:224291,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)c(F)c3)cc2)CC1,AQZNQCBFXGLWAS-UHFFFAOYSA-N
-rxn:4:213624:223973,CCC(C)N1CC(Cn2cc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cn2)C1,ZNLLUARNSZIKOL-UHFFFAOYSA-N
-rxn:4:213632:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,NSHXTVQGWBXXRR-UHFFFAOYSA-N
-rxn:4:213653:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(CN2C(=O)COC2=O)C1,KODWWQYPIVJUHS-UHFFFAOYSA-N
-rxn:4:213660:222684,CCOC(=O)N1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,FSPJKQQXNWQYGM-UHFFFAOYSA-N
-rxn:4:213672:223971,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)CC1,KHIHYCMZIVWZAV-UHFFFAOYSA-N
-rxn:4:213713:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)cc1,SNLISFMDNBMZOF-SFHVURJKSA-N
-rxn:4:213722:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(CC4CC4)CC3)nc2)CC1,LCVGECLUWWVALZ-UHFFFAOYSA-N
-rxn:4:213753:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnn(CC2CN(CC3CCCC3)C2)c1,WIJVTDIMLDWLTQ-UHFFFAOYSA-N
-rxn:4:213764:222684,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,YRDQLMNLRBURPM-UHFFFAOYSA-N
-rxn:4:213764:225156,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc(C(=O)N4CCCC4)ccc3F)cn2)C1,MJYGSDKKBKKADO-UHFFFAOYSA-N
-rxn:4:213787:222684,COc1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2=O)ccn1,WSIKZVRQRDYBLM-UHFFFAOYSA-N
-rxn:4:213798:225295,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)C1,DNBLDWAZTHADGF-UHFFFAOYSA-N
-rxn:4:213800:225943,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncn1,UIIBAARCTBCSSA-UHFFFAOYSA-N
-rxn:4:213803:223945,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cn1,GGNAHFBJGFWDCR-UHFFFAOYSA-N
-rxn:4:213803:224291,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCN3CCOCC3)c(F)c2)cn1,PINBAAQDZZRUSQ-UHFFFAOYSA-N
-rxn:4:213805:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)c1,AAHVFVNCBLPSQL-UHFFFAOYSA-N
-rxn:4:213811:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3OC3CCN(C(=O)c4ccccn4)CC3)c2)CC1,GCZKZNKSPRMNTF-UHFFFAOYSA-N
-rxn:4:213872:225294,CCN1CCN(c2ncc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cn2)CC1,SFAVEKVPFUJPRO-UHFFFAOYSA-N
-rxn:4:213875:222684,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,BZGQAIGVYQOSBL-UHFFFAOYSA-N
-rxn:4:213887:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,IUQGJYCDVQIGKH-UHFFFAOYSA-N
-rxn:4:213893:225898,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,BNXDMFNJTNDXTL-UHFFFAOYSA-N
-rxn:4:213897:224075,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)CC1,CTBNNUAMPYHVPY-UHFFFAOYSA-N
-rxn:4:213901:225976,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,UJQYNVKWWZIWDL-UHFFFAOYSA-N
-rxn:4:213910:223162,CNC(=O)c1ccc(OC)c(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,OOCAHPSTKVCNON-UHFFFAOYSA-N
-rxn:4:213949:222684,Cc1cc(C)n(CC2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)n1,URZJKXLPGDFZCZ-UHFFFAOYSA-N
-rxn:4:213966:222684,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,GIJCPIRALGSFCR-UHFFFAOYSA-N
-rxn:4:213966:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3OC)cc2)CC1,WURZHKFKSBLTQG-UHFFFAOYSA-N
-rxn:4:213970:223755,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)cc1,LTGXRRYHYQTBDH-UHFFFAOYSA-N
-rxn:4:213972:227753,O=C(C1CN(c2ncc(-c3cccc(C(F)(F)F)c3Cl)cc2C(F)(F)F)CCO1)N1CCOCC1,ANBMBRODQVUORJ-UHFFFAOYSA-N
-rxn:4:213978:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)cc2)CC1,GVLVCTGSCVBRAL-UHFFFAOYSA-N
-rxn:4:213988:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc1,LGVHAPMCEUOQFJ-UHFFFAOYSA-N
-rxn:4:213993:226844,CN1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,HHTYLWKPLXUKIG-UHFFFAOYSA-N
-rxn:4:213994:223075,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1,BEGBWLAXXRQEHC-QGZVFWFLSA-N
-rxn:4:214012:222684,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,DGBKKHDSKDGVQH-UHFFFAOYSA-N
-rxn:4:214014:224194,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)cc2Cl)CC1,MGWXYZTUMHTHJL-UHFFFAOYSA-N
-rxn:4:214014:225272,CCOC(=O)C(F)(F)c1ccc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)cc1,RJRDOMHRNPXGBK-UHFFFAOYSA-N
-rxn:4:214017:222684,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,BYGJGLZNMXROQM-UHFFFAOYSA-N
-rxn:4:214018:222684,CC(=O)N1N=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1c1ccc(N(C)C)cc1,SKJNYAJKDMZHNF-UHFFFAOYSA-N
-rxn:4:214018:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C4=NN(C(C)=O)C(c5ccc(N(C)C)cc5)C4)cc3)ccc2F)CC1,IRLXTRAOQCSALE-UHFFFAOYSA-N
-rxn:4:214024:227475,CCOC(=O)c1cncc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)c1,SCUZUOBCFBQOPP-UHFFFAOYSA-N
-rxn:4:214028:223025,CCCNC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1Cl,SIPCWXZQKLKPRP-UHFFFAOYSA-N
-rxn:4:214033:227444,CC(C)[C@H]1COC(c2cc(-c3cncc(C4CCCO4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,LRDWMSLKSZXQOS-YOQGVNIDSA-N
-rxn:4:214035:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)CC1,ZUEUMNFUGCUNQQ-UHFFFAOYSA-N
-rxn:4:214036:222684,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NN2S(C)(=O)=O)cc1,GFFJROSUSSQTMZ-UHFFFAOYSA-N
-rxn:4:214051:223167,CC(C)c1sc(-c2ccnc(N3CCNCC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,XWXWQVJCAQMYQK-UHFFFAOYSA-N
-rxn:4:214051:223895,CCN1CCN(CCOc2ccc(-c3nc(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c(C(C)C)s3)cc2)CC1,NMEMKQMDKISWDE-UHFFFAOYSA-N
-rxn:4:214054:223755,CC1CCN(CCCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cc2F)CC1,LCRAGSMWJNZDQG-UHFFFAOYSA-N
-rxn:4:214056:222693,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)S2)CC1,UCBGRXWICISXLW-UHFFFAOYSA-N
-rxn:4:214062:224746,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2N2CCOCC2)CC1,DAPMSELMNWBVSK-UHFFFAOYSA-N
-rxn:4:214063:222632,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,PGJVISWKBARINF-UHFFFAOYSA-N
-rxn:4:214065:222684,Cc1nn(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,FNUUXOJGNXYFLW-UHFFFAOYSA-N
-rxn:4:214067:222684,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)no3)CC2)cc1,LUQLCWSLTLRSRE-UHFFFAOYSA-N
-rxn:4:214068:223753,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c4)no3)CC2)cc1,LESQCALEJFWTHD-UHFFFAOYSA-N
-rxn:4:214069:222684,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)no3)C2)cc1,OWAXBOUGXBSXGC-UHFFFAOYSA-N
-rxn:4:214070:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c(F)c1F,HRBGTNVSURRNAI-UHFFFAOYSA-N
-rxn:4:214071:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,PIMUQHAILQNIPA-UHFFFAOYSA-N
-rxn:4:214071:224317,CN1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCN(S(=O)(=O)N5CCCCCC5)CC4)c3)c(F)c2)CC1,RSROGKNXYINVIY-UHFFFAOYSA-N
-rxn:4:214074:222684,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,ZQKYMYFRHXTMAP-UHFFFAOYSA-N
-rxn:4:214081:223753,Cc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cc1OCCCN1CCN(C)CC1,GHNDBQDUMHBIPS-UHFFFAOYSA-N
-rxn:4:214085:223895,CCN1CCN(CCOc2ccc(-c3ccc(C=C4N=C(C5CCCCC5)N(c5cc([N+](=O)[O-])ccc5C)C4=O)cc3)cc2)CC1,QQNQGMSMECREEE-UHFFFAOYSA-N
-rxn:4:214085:223973,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cc2)N=C1C1CCCCC1,YOFQPSZQCBPHDF-UHFFFAOYSA-N
-rxn:4:214157:223669,CCn1c(=NC(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)sc2cc([N+](=O)[O-])ccc21,UPFPEALWKCFTOQ-UHFFFAOYSA-N
-rxn:4:214220:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)cc1,BATBQNJFVYXCDI-UHFFFAOYSA-N
-rxn:4:214223:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)cc2)CC1,PEYCNIQSTLJLAN-UHFFFAOYSA-N
-rxn:4:214235:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1C2CCC1CC(n1ccnc1)C2,BKYKNRPVFZBWET-UHFFFAOYSA-N
-rxn:4:214252:224612,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)c1cccc([N+](=O)[O-])c1,XTDDLKWZELYSRN-UHFFFAOYSA-N
-rxn:4:214254:222647,Cc1cc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c(C)cc1NC(=O)OC(C)(C)C,FRJPRIKMTHQVPF-UHFFFAOYSA-N
-rxn:4:214267:222684,COc1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4s3)CC2)cc1,ZHXBAVYDUFJNRC-UHFFFAOYSA-N
-rxn:4:214280:223753,CCCn1c(C2CC(=O)N(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)C2)nc2ccccc21,UGICVAYMNUZGHQ-UHFFFAOYSA-N
-rxn:4:214284:225380,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn1)C2,ZZPGGLIZQNMPBN-UHFFFAOYSA-N
-rxn:4:214304:223279,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(C4CCCN4)nc3)nn2C2CCOCC2)C1,PMFGFBSHRBOYNC-UHFFFAOYSA-N
-rxn:4:214306:222684,Cn1cc(C(=O)N2CCN(C(=O)c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)c2ccccc21,ONLUEUVOFKWARU-UHFFFAOYSA-N
-rxn:4:214331:222684,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,MXYAQSAHBPGRIF-UHFFFAOYSA-N
-rxn:4:214335:226464,COc1ccc2c(c1-c1ccccc1CN1CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC1)OCCO2,WXPJXZKYZDTQHZ-UHFFFAOYSA-N
-rxn:4:214338:223042,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5ccc(C(=O)NC(C)C)c(Cl)c5)cccc43)C2=O)cc1,XCJALLSJJQTLGC-UHFFFAOYSA-N
-rxn:4:214342:222684,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)c2ccccc2n1,ONNJJMLFPVIWEP-UHFFFAOYSA-N
-rxn:4:214352:222684,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,ZUQYNMPTVLGCIX-UHFFFAOYSA-N
-rxn:4:214369:224612,CN(C)C=NC1=C(C#N)C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2ccc3ccccc3c2O1,QUEGUSGQTLQJAI-UHFFFAOYSA-N
-rxn:4:214388:225301,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC5CCOCC5)ncc4F)c(OC)cc12)CC3,DYGXPUUFFKYECG-UHFFFAOYSA-N
-rxn:4:214661:224718,Cn1ncc(C(=O)N2CCCC(C(F)(F)F)C2)c1-c1ccc(OCCN2CCOCC2)nc1,ADPIGQPGAHEGNB-UHFFFAOYSA-N
-rxn:4:214674:223992,Cc1ccc(-c2cccnc2N2CCC(C(=O)N(C)C)C2)cc1S(=O)(=O)N1CCN(C)CC1,UURIHNNLRBVTFJ-UHFFFAOYSA-N
-rxn:4:214678:223888,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cnc2Cl)CC1,VZJJGFCGWSSGOM-UHFFFAOYSA-N
-rxn:4:214679:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCC(C(F)(F)F)CC2)n1,CNELDGVPDKWFRO-UHFFFAOYSA-N
-rxn:4:214684:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2cc(C(=O)N3CCN(C)CC3)cc([N+](=O)[O-])c2)c1,GZTNFPGYPGMSDG-UHFFFAOYSA-N
-rxn:4:214713:224416,O=C(C1CC1)N1CCN(c2ccncc2-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,JDDGAHFNQGXWDO-UHFFFAOYSA-N
-rxn:4:214716:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(CC)CC4)c([N+](=O)[O-])cc3F)cc2)CC1,QWOKMUQWGDOEFN-UHFFFAOYSA-N
-rxn:4:214734:225575,COC(=O)c1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cc1C1CC1,PWPLSBDFOVVBEP-UHFFFAOYSA-N
-rxn:4:214742:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)cc2)CC1,XKLRVSAGSXNVBW-UHFFFAOYSA-N
-rxn:4:214745:224194,CCN1CCN(Cc2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,AZWIAGSDAGPZMH-UHFFFAOYSA-N
-rxn:4:214748:222684,CN(C)C1CCN(c2ccc(C#N)cc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,SZEKFCAOOBAAEX-UHFFFAOYSA-N
-rxn:4:214761:223602,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2F)C1,LNSJHCDLFRFLNY-UHFFFAOYSA-N
-rxn:4:214772:222432,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,UEXKBOHNPPPMKB-UHFFFAOYSA-N
-rxn:4:214787:222684,O=C1CN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CCN1c1ccccn1,GDGNVKLEVDDXJP-UHFFFAOYSA-N
-rxn:4:214830:226259,CCCCOc1ccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1Cl,VLRDIKIKJHTHGD-UHFFFAOYSA-N
-rxn:4:214860:222684,Cn1cc(C2CCCN(S(=O)(=O)c3ccccc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)C2)cn1,PLECXNRHJVSMDT-UHFFFAOYSA-N
-rxn:4:214865:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,CCQHMKUWQZQEHF-UHFFFAOYSA-N
-rxn:4:214867:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)c1,FMXSQOVKGJRMTN-UHFFFAOYSA-N
-rxn:4:214870:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,VDHZEZRXULPECC-UHFFFAOYSA-N
-rxn:4:214870:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,AJSLLYAYZDBTDK-UHFFFAOYSA-N
-rxn:4:214871:227275,CCCOc1c(F)cccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,OKGSTSMOEYUKSJ-UHFFFAOYSA-N
-rxn:4:214875:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,GWNHKEXYESSFTP-UHFFFAOYSA-N
-rxn:4:214880:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,IZDWCYPNINXQNV-UHFFFAOYSA-N
-rxn:4:214890:223220,O=C(c1cncc(-c2ccc(NCC3CC3)nc2)c1)N1CCCN(C2CCSCC2)CC1,FNHDLBYWHDUGQW-UHFFFAOYSA-N
-rxn:4:214895:222684,Cc1c(N2C(=O)C(=Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C,MLNJMFMHLRBREW-UHFFFAOYSA-N
-rxn:4:214899:222684,O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,CUAJHGXIVMEPBE-UHFFFAOYSA-N
-rxn:4:215054:223482,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ncn2C1=O,HWZTUGJYUZMHSX-UHFFFAOYSA-N
-rxn:4:215059:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,INGUMWLADGEPBK-UHFFFAOYSA-N
-rxn:4:215061:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,HZNYSVQSBSWSKP-UHFFFAOYSA-N
-rxn:4:215077:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)cc2)CC1,UHZHLILAZIOYFN-UHFFFAOYSA-N
-rxn:4:215112:222684,CCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3s2)CC1,MYIKKJNHVCNYQY-UHFFFAOYSA-N
-rxn:4:215182:223753,Cc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc1OCCCN1CCN(C)CC1,JIMMHWPAUJNNAJ-UHFFFAOYSA-N
-rxn:4:215182:223895,CCN1CCN(CCOc2ccc(-c3ccc4[nH]c(C(=O)N5CCN(C(C)C)CC5)cc4c3)cc2)CC1,CCHRIDLXSJTOEE-UHFFFAOYSA-N
-rxn:4:215184:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DSMMVIGJZCNACK-UHFFFAOYSA-N
-rxn:4:215216:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)CC1,OGZRWUXKGXVOSX-UHFFFAOYSA-N
-rxn:4:215227:222684,O=C1C2ON(c3ccccc3)C(c3ccccn3)C2C(=O)N1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,PUDUMPSITQVBMQ-UHFFFAOYSA-N
-rxn:4:215238:222684,Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)nc2c(C)cccc12,AWJAPDWCTLEMEW-UHFFFAOYSA-N
-rxn:4:215287:223603,O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3[nH]c4c(-c5cc(OCc6cccnc6)c(OC(F)(F)F)cc5Cl)cccc4c3C2)cc1,JFHSSHJCJVJWJL-UHFFFAOYSA-N
-rxn:4:215321:223541,N#Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cncc1[N+](=O)[O-],OUUBMCPKERKOQS-UHFFFAOYSA-N
-rxn:4:215373:223753,Cc1ccc(-c2cnc(C3(C(F)(F)F)N=N3)c(F)c2)cc1OCCCN1CCN(C)CC1,XIQJJGXRRHOUJW-UHFFFAOYSA-N
-rxn:4:215787:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cc([N+](=O)[O-])cnc2N2CCCCC2)CC1,DTYSBDFVIGRQHU-UHFFFAOYSA-N
-rxn:4:215886:222684,CC1CCN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1,XWHJOZPLBSOQBC-UHFFFAOYSA-N
-rxn:4:215891:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-],DMINWBYQWADELR-UHFFFAOYSA-N
-rxn:4:215899:222684,CS(=O)(=O)N1CCCC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,VTSQTNXOCXTEBG-UHFFFAOYSA-N
-rxn:4:215912:222743,CC(c1ccc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1)N1CCC(O)CC1,YPUSLERETBBLFB-UHFFFAOYSA-N
-rxn:4:215925:223895,CCN1CCN(CCOc2ccc(-c3nc(C(C)C)cc(N4CCOCC4)n3)cc2)CC1,CFPRAWXRVHDHQZ-UHFFFAOYSA-N
-rxn:4:215929:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(SC)nc3N3CCCCCC3)c(F)cc2C)CC1,BCHKTCZIBQTRRJ-UHFFFAOYSA-N
-rxn:4:215937:223508,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,VIOGJIYOMUEVJR-UHFFFAOYSA-N
-rxn:4:215944:223785,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,KKKZTTZXAQAHSP-UHFFFAOYSA-N
-rxn:4:215963:223895,CCN1CCN(CCOc2ccc(-c3nc(C4CC4)cc(N4CCCC(C)C4)n3)cc2)CC1,ATEHOFVAMFNDEK-UHFFFAOYSA-N
-rxn:4:215965:222684,CC1CCN(c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc(C3CC3)n2)CC1,WMJALTNMFHEZBM-UHFFFAOYSA-N
-rxn:4:215976:222684,CC1CCN(c2cc(C(C)C)nc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,JMHNABDGUGIZFQ-UHFFFAOYSA-N
-rxn:4:215979:222684,CC(C)c1nc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc(N2CCCCC2C)n1,CPRZEEVKIWTVOC-UHFFFAOYSA-N
-rxn:4:216241:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4C(=O)C(=Cc5nc6ccccc6[nH]5)SC4=S)c3)cc2F)CC1,SMQIXZSVVCKHOC-UHFFFAOYSA-N
-rxn:4:216356:223239,COc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCN5)c4)ccc2OC32CCN(C)CC2)cc1,VCSPVXBRNGMSGV-UHFFFAOYSA-N
-rxn:4:216356:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C)CC2)cc1,SMPOKPVFROTBKX-UHFFFAOYSA-N
-rxn:4:217199:223834,Cc1cc(-c2cnc(N3CCN(C)CC3)c(F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,FOXIKXUAMDEKEO-UHFFFAOYSA-N
-rxn:4:218567:222684,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,YQKGQBLPVOUXQK-UHFFFAOYSA-N
-rxn:4:218569:222684,COCc1cn(C2CCN(C(=O)Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)nn1,LULJTXZZIQIBRU-UHFFFAOYSA-N
-rxn:4:218579:222684,CCN1CCN(c2oc(COc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nc2C#N)CC1,AMAHOYVNMJICPU-UHFFFAOYSA-N
-rxn:4:218587:225385,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cn3)CC2)cc1,FMMPGYIFUKBUBO-UHFFFAOYSA-N
-rxn:4:218588:222684,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,UIQWLRFNXKHTEF-UHFFFAOYSA-N
-rxn:4:218589:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)cc2C)CC1,BNHAZTCUFMUHAV-UHFFFAOYSA-N
-rxn:4:218590:222684,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,KOIAVZWKMFTVOR-UHFFFAOYSA-N
-rxn:4:218600:225560,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cccc(COC4CCOC4)c3)cn2)CC1,RQSMSUVJWZQJKU-UHFFFAOYSA-N
-rxn:4:218615:222684,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,NVZGCMKVSJNNOP-UHFFFAOYSA-N
-rxn:4:218663:222684,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)cc1,IJZKOKWQKZZLMG-UHFFFAOYSA-N
-rxn:4:218664:222684,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)cc1,BIAONTMWIVPTCE-UHFFFAOYSA-N
-rxn:4:218665:222684,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)c1,UVXZWGZNKFQHFV-UHFFFAOYSA-N
-rxn:4:218668:225171,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCOCC3)c2)C1,QGTPXLCCYOZAGT-UHFFFAOYSA-N
-rxn:4:218676:226844,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,BSYSMLMGAMRTRF-UHFFFAOYSA-N
-rxn:4:218685:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1,KLLMFBWFHWOWRR-UHFFFAOYSA-N
-rxn:4:218686:226844,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,PNIPAVZFQCIVKF-UHFFFAOYSA-N
-rxn:4:218695:225688,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCCC5)c(Cl)c4)c3C)CC2)cc1,QDUALJAEXRDOFD-UHFFFAOYSA-N
-rxn:4:218700:222684,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,JDCUWLMEEDABMD-UHFFFAOYSA-N
-rxn:4:218704:222684,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)n[nH]2)CC1,WGJXSNOYBZXQES-UHFFFAOYSA-N
-rxn:4:218705:222684,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)n[nH]2)CC1,IHJYTKYVZDPHHW-UHFFFAOYSA-N
-rxn:4:218707:222684,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3C)CC2)cc1,GEYGTDZYRCZEEL-UHFFFAOYSA-N
-rxn:4:218711:227635,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccco4)nc3)CC2)CC1,FIRVEMUGMOLVLW-UHFFFAOYSA-N
-rxn:4:218714:223279,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,YIYQKJVKOBUUGI-UHFFFAOYSA-N
-rxn:4:218718:223569,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)c(C)nn12,LAXXFFLESVCRSZ-UHFFFAOYSA-N
-rxn:4:218745:222684,O=C(Cn1c(=O)oc2ccccc21)N1CCCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,FRMZBELNLKVARE-UHFFFAOYSA-N
-rxn:4:218748:222684,O=C(Cn1ccc2ccccc21)N1CCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,KMYAWZVMDFCTQB-UHFFFAOYSA-N
-rxn:4:218766:222684,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)c2ccccc21,OLPDABPXRDSQEZ-UHFFFAOYSA-N
-rxn:4:218769:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCCC1,VVSCQKGMAQUMQB-UHFFFAOYSA-N
-rxn:4:218776:222684,CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,FVQLCMFCHJSOGW-UHFFFAOYSA-N
-rxn:4:218787:223279,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,QXXMQLKEPMAWRZ-UHFFFAOYSA-N
-rxn:4:218847:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5cccnc5OC)C4)nc3)cc2)CC1,LWLIEHRNASVOPL-UHFFFAOYSA-N
-rxn:4:218867:225009,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cnc3OC3CCCCC3)c2)no1,HQAGFOYAPNESOQ-UHFFFAOYSA-N
-rxn:4:218867:226426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCC(C)CC4)s3)c2)no1,JPTGUIHMTMVKFF-UHFFFAOYSA-N
-rxn:4:218867:226844,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)no1,RGDUAVBGFGUEFX-UHFFFAOYSA-N
-rxn:4:218868:222684,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)no1,PLEWBWBAHQFPRB-UHFFFAOYSA-N
-rxn:4:218868:226323,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCC4)nc3)cc2)no1,XRXBQCNWQILMNT-UHFFFAOYSA-N
-rxn:4:218868:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2)no1,QGZMLEWOLPLZAX-UHFFFAOYSA-N
-rxn:4:218875:222684,CN1CCN(c2oc(COc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nc2C#N)CC1,PYDUEFOPXBZQFG-UHFFFAOYSA-N
-rxn:4:218881:222546,O=C(c1ccncc1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,UNHTYTXMPZLNAL-UHFFFAOYSA-N
-rxn:4:218896:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cncc(F)c5)C4)nc3)c2)CC1,NXFMZMFYNREGLW-UHFFFAOYSA-N
-rxn:4:218897:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c(Cl)c2)CC1,ALQGTRHPGVKICU-UHFFFAOYSA-N
-rxn:4:218899:222684,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)cc1,NSNTUJIKUDQPFI-UHFFFAOYSA-N
-rxn:4:218900:222684,CN(C)c1cccc(C(=O)N2CC(Cn3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)c1,XTTRTJYNAYUQNE-UHFFFAOYSA-N
-rxn:4:218914:223533,Cc1nc(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)cs1,ROLBPOPYOHTMJE-UHFFFAOYSA-N
-rxn:4:218943:222684,CN(c1cnc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1)C1CCN(C(=O)OC(C)(C)C)C1,ZRVPKQVBXDWTSH-UHFFFAOYSA-N
-rxn:4:218944:228211,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(N4CCCC4)cs3)cc2[N+](=O)[O-])CC1,NAZLQYWRTQBTQP-UHFFFAOYSA-N
-rxn:4:218970:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)cc2)CC1,VUYIFXKQTYHMAE-UHFFFAOYSA-N
-rxn:4:218971:222684,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)s1,QJBLKWAQFVIOOV-UHFFFAOYSA-N
-rxn:4:218973:223945,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)nc1,HJWKIAGFUAQQFP-UHFFFAOYSA-N
-rxn:4:218977:227765,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CC(Cn2cc(-c3ccn(CCC(F)(F)F)n3)cn2)C1,DBBYNEBXAQGTOC-UHFFFAOYSA-N
-rxn:4:218987:223482,CSc1ccc(-c2noc(Cn3nc(-c4ccccc4-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc3=O)n2)cc1,BLFMAYZDHOVGCR-UHFFFAOYSA-N
-rxn:4:218998:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1C,NAHGWMCDEZHXND-UHFFFAOYSA-N
-rxn:4:219001:226844,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)C(=O)C1=O,MRCZBOPHHHLCSV-UHFFFAOYSA-N
-rxn:4:219002:222948,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c1=O,MBVVVYGAMYBNLU-UHFFFAOYSA-N
-rxn:4:219013:228810,CSc1c(Cl)cccc1-c1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)C(C)C1,YWMSBLZSIPLHTH-UHFFFAOYSA-N
-rxn:4:219052:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccccc1CC(=O)N1CCCC(N(C)c2ncc(C)cn2)C1,AQCCHDABWJNKJK-UHFFFAOYSA-N
-rxn:4:219053:225882,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(C5CCOCC5)c4)c3)cn2)CC1,WGTDQPBDNZASMX-UHFFFAOYSA-N
-rxn:4:219053:225984,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(N5CCOCC5)c4)c3)cn2)CC1,YPEQLRVDUHFWHM-UHFFFAOYSA-N
-rxn:4:219057:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,FSEJZSBSEYTHFH-UHFFFAOYSA-N
-rxn:4:219062:222730,CCCc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)cc(C2CCNCC2)n1,FCDSBAJCLUDVAD-UHFFFAOYSA-N
-rxn:4:219071:222466,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)CC3)n[nH]2)cc1,GVLRTAIDNBGVJJ-UHFFFAOYSA-N
-rxn:4:219071:225227,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(C)CC6)c(Cl)c5)cc4)CC3)n[nH]2)cc1,QPZZRNHHVRBOGT-UHFFFAOYSA-N
-rxn:4:219072:227377,O=C(Cc1nnc(-c2cccc(-c3cncnc3C3CCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,XIKNGPIYZQTHGN-UHFFFAOYSA-N
-rxn:4:219073:225161,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,GLZSDBKIZSPFNA-UHFFFAOYSA-N
-rxn:4:219093:223985,CCC(=O)C1=C(c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,BHOTVTZFHMWYAT-UHFFFAOYSA-N
-rxn:4:219093:223992,CCC(=O)C1=C(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,MDXFXNVJPDOCKS-UHFFFAOYSA-N
-rxn:4:219093:225805,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2)N(C(=O)CC)n2cnnc2S1,LMAWCWIZDZHFPZ-UHFFFAOYSA-N
-rxn:4:219120:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2)CC1,PIRSGRJHZBGXBE-UHFFFAOYSA-N
-rxn:4:219130:222684,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)o4)CC3)nc2c1,MOYKCZDPJCPUAD-UHFFFAOYSA-N
-rxn:4:219133:222684,O=C(Cn1ccc2ccccc21)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,DQSMKQKITSPKPK-UHFFFAOYSA-N
-rxn:4:219135:222684,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)C3C2=O)cc1,XMTDWMPZYSHWSN-UHFFFAOYSA-N
-rxn:4:219181:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSc4nc(CC(C)(C)C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,ORXYVWPMSOQIAU-UHFFFAOYSA-N
-rxn:4:219184:222684,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc2)OC3)CC1,DWKBXKYDRGJLHG-UHFFFAOYSA-N
-rxn:4:219187:222684,O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)cs2)CC1,FHBABJDLYSJNDK-UHFFFAOYSA-N
-rxn:4:219205:223812,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,YAVISHNFCMZQNF-UHFFFAOYSA-N
-rxn:4:219239:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnsn5)C4)c3)c(F)c2)CC1,RGPRKNWNYLFKIX-FPCUACJBSA-N
-rxn:4:219257:222684,Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)C1,MQLUYEFCJSYVPQ-UHFFFAOYSA-N
-rxn:4:219272:223753,Cc1ccc(-c2cnn(CC3CN(c4ccnc(C(F)(F)F)c4)C3)c2)cc1OCCCN1CCN(C)CC1,UWVNBYBXFOMQFU-UHFFFAOYSA-N
-rxn:4:219384:223753,Cc1ccc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)cc1OCCCN1CCN(C)CC1,BKZBMFJJZATFDR-UHFFFAOYSA-N
-rxn:4:219403:223160,CCNC(=O)c1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(F)c1,CUWVQAATZHQKHZ-UHFFFAOYSA-N
-rxn:4:219405:223945,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,PXEYCRNDXPMUJI-UHFFFAOYSA-N
-rxn:4:219414:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1,VLDDUBXYEAWJAO-UHFFFAOYSA-N
-rxn:4:219427:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCN4CCN(c5ccncn5)CC4)cc3)c(F)cc2C)CC1,DHKRTOCAKPMFKM-UHFFFAOYSA-N
-rxn:4:219430:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCC(Oc5ccc(C)nn5)CC4)c3)cc2)CC1,ARKRHHOVMZNRQK-UHFFFAOYSA-N
-rxn:4:219433:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)cc2)CC1,VBJAELZRCZVCPO-UHFFFAOYSA-N
-rxn:4:219453:224750,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cn3)C2)C1=O,GTGFSFQWCBKRQX-UHFFFAOYSA-N
-rxn:4:219459:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(CN4CCN(c5cc(OC)ncn5)CC4)c3)cc2)CC1,GYWQCJZXJOPPRD-UHFFFAOYSA-N
-rxn:4:219467:223831,COc1ccc(-c2cnc(N3CCCC(COc4cccc(C)n4)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,WNXVFAMEEJZHNE-UHFFFAOYSA-N
-rxn:4:219477:222693,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,LGUKRZWHNMOHGE-UHFFFAOYSA-N
-rxn:4:219487:222684,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,FIZFOLZBDZWZOS-UHFFFAOYSA-N
-rxn:4:219499:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,RAZVWTMNIDSYPS-UHFFFAOYSA-N
-rxn:4:219499:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C#N)c3)cc2F)CC1,XKCNKHYSWWYDKH-UHFFFAOYSA-N
-rxn:4:219502:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ccccn5)CC4)c3)cc2)CC1,YVCMRCJCORYVRA-UHFFFAOYSA-N
-rxn:4:219522:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(Oc5cc(C)nc(C)n5)CC4)c3)cc2)CC1,SPUWKWSEZQQBPA-UHFFFAOYSA-N
-rxn:4:219529:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,KBNDQZAJNISPHJ-UHFFFAOYSA-N
-rxn:4:219532:223787,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,UZIGOOIPKVPDFO-UHFFFAOYSA-N
-rxn:4:219538:223681,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cc2cc([N+](=O)[O-])ccc21,FTUAACSTWYSYED-UHFFFAOYSA-N
-rxn:4:219539:225295,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCCC2)CC1,ZKXIDCCUVNHBKD-UHFFFAOYSA-N
-rxn:4:219543:222684,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,OCCBDVLOWVISFK-UHFFFAOYSA-N
-rxn:4:219544:223753,Cc1ccc(-c2ccc(-c3cc(N4CCCN(C(=O)c5ccoc5)CC4)[nH]n3)cc2)cc1OCCCN1CCN(C)CC1,OPMUHDIOTXWRBC-UHFFFAOYSA-N
-rxn:4:219553:222684,Cn1nc(C2CCN(C(=O)c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3Cl)CC2)n(C2CC2)c1=O,WHUMKYUFUNFMCW-UHFFFAOYSA-N
-rxn:4:219562:225201,O=C(c1cncc(-c2ccc(OC3CCCC3)c(F)c2F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,FWAFHHPJVFUNKE-UHFFFAOYSA-N
-rxn:4:219642:224198,CCN1CCN(Cc2ccc(-c3cnccc3OC3CCN(c4nc5c(cc4C#N)CCC5)C3)c(F)c2)CC1,NMRGXJMMUHNUOV-UHFFFAOYSA-N
-rxn:4:219655:224198,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(n4cncn4)C5)cc3)c(F)c2)CC1,IXXZNLAVEZHKCV-UHFFFAOYSA-N
-rxn:4:219664:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)c6ccccc6[N+](=O)[O-])CC5)sc4c3)c2)CC1,IEEBDDIXARUHDA-UHFFFAOYSA-N
-rxn:4:219688:222684,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3n2)CC1,INHWAQUIIZVVGW-UHFFFAOYSA-N
-rxn:4:219695:223755,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)cc2F)CC1,BTERVQBEAXNQII-UHFFFAOYSA-N
-rxn:4:219696:222684,Cn1c(CN2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)nc2ccccc21,SNXVNLZVYHLDJO-UHFFFAOYSA-N
-rxn:4:219696:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc5ccccc5n4C)CC3)o2)cc1OCCCN1CCN(C)CC1,ZFRMVCSUVMINTE-UHFFFAOYSA-N
-rxn:4:219696:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6n5C)CC4)o3)c(F)c2)CC1,OKSQEKVJRXNVEQ-UHFFFAOYSA-N
-rxn:4:219707:223279,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cnc(C5CCCN5)nc4)c(Cl)cc23)CC1,XPINOUIBIAKWBA-UHFFFAOYSA-N
-rxn:4:219716:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(CC(=O)N4CC5CN(c6cc(C)ncn6)CC5C4)cc3)c2)CC1,UAKAGPMWELSELL-UHFFFAOYSA-N
-rxn:4:219720:223895,CCc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5ccc(OCCN6CCN(CC)CC6)cc5)c4)c2=O)CCCC3)no1,IODXWAJZYZPDAY-UHFFFAOYSA-N
-rxn:4:219749:223753,Cc1ccc(-c2ccc(Cn3nc(C(C)C)c4cnn(C(C)(C)C)c4c3=O)cc2)cc1OCCCN1CCN(C)CC1,PIDYOJAMZYEFGJ-UHFFFAOYSA-N
-rxn:4:219759:223755,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc2)OC3)CC1,DCPSUXKHXVZBCC-UHFFFAOYSA-N
-rxn:4:219759:225723,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc2)OC3)CC1,CVNDXNGQWJWVIN-UHFFFAOYSA-N
-rxn:4:219760:222684,O=c1n(Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)nc2c(S(=O)(=O)N3CCCCCC3)cccn12,OBOCDPLLHSCWRA-UHFFFAOYSA-N
-rxn:4:219760:224853,CC1(C)CCC(c2ccc(-c3cccc(Cn4nc5c(S(=O)(=O)N6CCCCCC6)cccn5c4=O)c3)cc2)CC1,LQANXXADIDODNQ-UHFFFAOYSA-N
-rxn:4:219767:222948,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)nc2=O)CCC3)CC1,QOMNUDPESCQSMY-UHFFFAOYSA-N
-rxn:4:219769:222684,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc2)OC3)CC1,AFMXBBFTVXJZNH-UHFFFAOYSA-N
-rxn:4:219774:222684,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,NAQOXNNZDGQULC-UHFFFAOYSA-N
-rxn:4:219778:222684,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,RIJBXYOJYYCBNO-UHFFFAOYSA-N
-rxn:4:219876:222546,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,XCLDSYMRTOPFHZ-UHFFFAOYSA-N
-rxn:4:219910:223649,Cn1ccnc(N2CCC(Oc3ccncc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,AMALQYAJCGNHLD-UHFFFAOYSA-N
-rxn:4:219911:223753,Cc1ccc(-c2cnc(N3CCN(Cc4ccccc4)C(=O)C3)nc2)cc1OCCCN1CCN(C)CC1,TWZJUEBDFZYNPT-UHFFFAOYSA-N
-rxn:4:219917:222684,O=C1CN(S(=O)(=O)c2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CCN1c1ncc(F)cn1,BAUAHEDNSZFLHX-UHFFFAOYSA-N
-rxn:4:219942:223753,Cc1ccc(-c2cccnc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OCCCN1CCN(C)CC1,OCUWXTKKLAQDHL-UHFFFAOYSA-N
-rxn:4:219955:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,ZOTLJDLVWWBGDE-UHFFFAOYSA-N
-rxn:4:219955:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc2cccnc21,WGUVLMXXKYSOPF-UHFFFAOYSA-N
-rxn:4:219959:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,ZYLZYPKWQAZKOE-BWZATIJHSA-N
-rxn:4:219982:223761,Cc1ccc(N2CCN(Cc3ccc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cc3)CC2)nn1,PSWUWHWZUJFXTL-UHFFFAOYSA-N
-rxn:4:219988:222584,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1)N1CCOCC1,PMKJVLYTIFFBPG-UHFFFAOYSA-N
-rxn:4:220040:222684,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2C1,USOTYZKLIRHZJT-UHFFFAOYSA-N
-rxn:4:220121:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4C5CCC4CC(n4cncn4)C5)c3)cc2)CC1,PGXWFRGBWYLUGT-UHFFFAOYSA-N
-rxn:4:220136:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,MGDOWHUKWBERCS-UHFFFAOYSA-N
-rxn:4:220136:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,PCCQAOWHVBRNPG-UHFFFAOYSA-N
-rxn:4:220137:223753,Cc1ccc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc1OCCCN1CCN(C)CC1,LEAKOUSMJCKWEZ-UHFFFAOYSA-N
-rxn:4:220158:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1,DUTFPINELRULJK-UHFFFAOYSA-N
-rxn:4:220161:222540,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c(C)c4)C3C2=O)c1,VIKIWXGNJCWAGX-UHFFFAOYSA-N
-rxn:4:220161:222684,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c(C)c4)C3C2=O)c1,XXXPUMXEZZYQIN-UHFFFAOYSA-N
-rxn:4:220162:222610,CSc1ncc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)c(N2CC(N3CC4CCCC4C3)C2)n1,HOMQPMYCYMYUPH-UHFFFAOYSA-N
-rxn:4:220191:223753,Cc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)cc1OCCCN1CCN(C)CC1,OPPZBGMCYOLXBR-UHFFFAOYSA-N
-rxn:4:220204:226231,CCCCOc1ncc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1C,GLNCOADYUNILMP-UHFFFAOYSA-N
-rxn:4:220243:222684,CC1CCN(c2cc3c(cc2F)c(=O)c(-c2nc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)no2)cn3C)CC1,UUUXIKHOGKORJH-UHFFFAOYSA-N
-rxn:4:220532:223753,Cc1ccc(-c2ccc(N3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)cc2C)cc1OCCCN1CCN(C)CC1,QGSYZQRCNGUVAN-UHFFFAOYSA-N
-rxn:4:220535:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4ccc5nc(N6CCOCC6)ncc5c4=O)cc3)c(F)cc2C)CC1,DGTJVLRDPHPNQX-UHFFFAOYSA-N
-rxn:4:220540:222684,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)C3C2=O)c1,PXRCQMIWKMKCNX-UHFFFAOYSA-N
-rxn:4:220544:222684,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c(C)c4)C3C2=O)cc1F,OWXJHNMCFORMGA-UHFFFAOYSA-N
-rxn:4:221092:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(CCn5cccn5)CC4)nc3)ccc2Cl)CC1,OVDIXDXCAFSAII-UHFFFAOYSA-N
-rxn:4:221098:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)c1,BDEYPKYDAFQPRM-UHFFFAOYSA-N
-rxn:4:221100:222684,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,PZRGGDQNKHOXQQ-UHFFFAOYSA-N
-rxn:4:221102:224325,CC(C)c1noc(CN2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)n1,JBBPZEWXDMNNEW-UHFFFAOYSA-N
-rxn:4:221103:222684,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)cn1,MZVMSOCDFYEFIA-UHFFFAOYSA-N
-rxn:4:221109:224612,Cc1ccc(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2C(=O)CSc2nncn2C)cc1,UANHFFKFUOGLQS-UHFFFAOYSA-N
-rxn:4:221111:224778,O=C(C1CC(=O)N(c2cccc(-c3c(F)cc(OC4CCOCC4)cc3F)c2)C1)N1CCN(CCn2ccnc2)CC1,HSRCSDCIRLGQMX-UHFFFAOYSA-N
-rxn:4:221121:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ILQKRQBIUYFUKS-UHFFFAOYSA-N
-rxn:4:221121:222614,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NC6CC6)cc5C(F)(F)F)ccc43)CC2)CC1,NTVOUPJYQLKVIC-UHFFFAOYSA-N
-rxn:4:221121:222699,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,PVETUJULVSGQDZ-UHFFFAOYSA-N
-rxn:4:221121:222705,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,OYJHXCDOVIVENT-UHFFFAOYSA-N
-rxn:4:221121:222725,CCNS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,XZNNUSUPJGPRIR-UHFFFAOYSA-N
-rxn:4:221121:222746,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CNC(=O)OC(C)(C)C)cc5)ccc43)CC2)CC1,NWFPUAMPUONPMY-UHFFFAOYSA-N
-rxn:4:221121:222857,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCNCC2)c1,VMXCCABEJKVPEM-UHFFFAOYSA-N
-rxn:4:221121:222947,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(N6CCCC(O)C6)nc5Cl)ccc43)CC2)CC1,GOQVYZCEGOTLNJ-UHFFFAOYSA-N
-rxn:4:221121:222965,CCCC(=O)NCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,OHVPRLANMMMBPE-UHFFFAOYSA-N
-rxn:4:221121:222990,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCC(O)CC6)cc5)ccc43)CC2)CC1,UIHFYTBRTUMNNR-UHFFFAOYSA-N
-rxn:4:221121:222994,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(N6CCC(O)CC6)c5)ccc43)CC2)CC1,PKCAWRRZWKXGFQ-UHFFFAOYSA-N
-rxn:4:221121:223034,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(C(=O)NC(C)(C)C)c5)ccc43)CC2)CC1,YFWSZMIKWKRWME-UHFFFAOYSA-N
-rxn:4:221121:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,FSIIFLNKQFOKBK-UHFFFAOYSA-N
-rxn:4:221121:223484,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc43)CC2)CC1,FLTHHFMIVFLJQT-UHFFFAOYSA-N
-rxn:4:221121:223531,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)ccc43)CC2)CC1,SZSPQNUAOHCUNM-UHFFFAOYSA-N
-rxn:4:221121:223588,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HHKLFVCOBZURSH-UHFFFAOYSA-N
-rxn:4:221121:223697,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)ccc43)CC2)CC1,LPNASYIAENNAPW-UHFFFAOYSA-N
-rxn:4:221121:223745,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N(C)CCc6ccccc6)cc5)ccc43)CC2)CC1,KYBYQOPZERANHR-UHFFFAOYSA-N
-rxn:4:221121:223835,Cc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,YHGLOJLHNWFJFF-UHFFFAOYSA-N
-rxn:4:221121:223902,CC1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)CC1,LXMPLEHMIDWXKS-UHFFFAOYSA-N
-rxn:4:221121:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,MGYHQZFYFMMPPU-UHFFFAOYSA-N
-rxn:4:221121:223997,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,SWJCYDJKVFYIDN-UHFFFAOYSA-N
-rxn:4:221121:224169,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCCN6CCOCC6)c5)ccc43)CC2)CC1,MUSHSZJZUVRKFX-UHFFFAOYSA-N
-rxn:4:221121:224251,CC1CCCN(C(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)C1,GVXYLYHHTOHTNG-UHFFFAOYSA-N
-rxn:4:221121:224325,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)ccc43)CC2)CC1,QCKPEVOPVPKZGA-UHFFFAOYSA-N
-rxn:4:221121:224456,COCc1cccc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,GCOQNWYYWHNRPG-UHFFFAOYSA-N
-rxn:4:221121:224894,CCc1ccc(-c2cncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,SRLJVSZYECQDJZ-UHFFFAOYSA-N
-rxn:4:221121:224901,COc1cc(-c2ccccc2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QCXPXQPVFXWIPU-UHFFFAOYSA-N
-rxn:4:221121:224922,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc6c5Sc5ccccc5S6)ccc43)CC2)CC1,YLZIALPPVWUMFE-UHFFFAOYSA-N
-rxn:4:221121:224989,CC(C)n1cc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cn1,RCFCVMVMCQKEJM-UHFFFAOYSA-N
-rxn:4:221121:224995,COc1nc(-c2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,RYECKWFDVUEMHD-UHFFFAOYSA-N
-rxn:4:221121:225316,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6cccc(F)c6)nc5Cl)ccc43)CC2)CC1,NOOQQKQSPKIGGG-UHFFFAOYSA-N
-rxn:4:221121:225404,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1-c1ccccc1,FNQPBQLIUCJNAF-UHFFFAOYSA-N
-rxn:4:221121:225437,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CN6CCCCC6)c5)ccc43)CC2)CC1,GDNSAFQQMKWHDG-UHFFFAOYSA-N
-rxn:4:221121:225466,CC1CCCCN1c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,WLBSZWFKUSRDDI-UHFFFAOYSA-N
-rxn:4:221121:225651,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(-c2cnn(C)c2)c1,ZODYOFINFFNAQQ-UHFFFAOYSA-N
-rxn:4:221121:225668,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cc(F)ccn6)c5)ccc43)CC2)CC1,SPFRFJUSTLJRQF-UHFFFAOYSA-N
-rxn:4:221121:225814,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C6(C(F)(F)F)CC6)c5)ccc43)CC2)CC1,HPJSGNDILAFKPP-UHFFFAOYSA-N
-rxn:4:221121:225921,COc1cc(-n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)ccn1,ASXFYQQYWLXUBX-UHFFFAOYSA-N
-rxn:4:221121:225923,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(OC6CCCC6)nc5Cl)ccc43)CC2)CC1,MEJAPYWILOYVBL-UHFFFAOYSA-N
-rxn:4:221121:225957,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cncnc6)nc5F)ccc43)CC2)CC1,CSIMHBZKOBPKMR-UHFFFAOYSA-N
-rxn:4:221121:225959,Cc1cn(-c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)cn1,FCNBHFSHTVDYBA-UHFFFAOYSA-N
-rxn:4:221121:225984,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(Cl)c(N6CCOCC6)c5)ccc43)CC2)CC1,ZUAMEKOZCHQCJK-UHFFFAOYSA-N
-rxn:4:221121:226134,Cc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C#N)cc1C1CC1,VUXQCGSYYOJJSD-UHFFFAOYSA-N
-rxn:4:221121:226202,CCc1nn(C)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc12,OSLPBOCBWJMZLT-UHFFFAOYSA-N
-rxn:4:221121:226300,CCCC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,XDNLLAKSXGHUHY-UHFFFAOYSA-N
-rxn:4:221121:226340,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)cc(C6CC6)c5Cl)ccc43)CC2)CC1,SREKMTIUDYFKPE-UHFFFAOYSA-N
-rxn:4:221121:226363,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6nccn6C)cc5)ccc43)CC2)CC1,WECCTTLOLJITCC-UHFFFAOYSA-N
-rxn:4:221121:226369,Cc1ccccc1-n1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,SFCBXNCJWGMNCJ-UHFFFAOYSA-N
-rxn:4:221121:226373,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)n1,HVTPYEUPCJWZNN-UHFFFAOYSA-N
-rxn:4:221121:226503,CON(C)C(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QGQRWTUFSZWEAJ-UHFFFAOYSA-N
-rxn:4:221121:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ATLIMCCUVLIUGU-UHFFFAOYSA-N
-rxn:4:221121:226580,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(=O)N(C)C)ccc5F)ccc43)CC2)CC1,ZIAUDUBDASHLRZ-UHFFFAOYSA-N
-rxn:4:221121:226884,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(C(F)(F)F)cc5F)ccc43)CC2)CC1,AFOIVTINWRBVLF-UHFFFAOYSA-N
-rxn:4:221121:227018,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(C)(C)C#N)cc5)ccc43)CC2)CC1,FKLNXCWJJGHPFE-UHFFFAOYSA-N
-rxn:4:221121:227243,CC(=O)OCc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,FHPCISGTIMRGSS-UHFFFAOYSA-N
-rxn:4:221121:227479,CCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)n1,UGDYDLZBXMJXTF-UHFFFAOYSA-N
-rxn:4:221121:227495,CCN(C)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cn1,AAIOSXACYHXQKO-UHFFFAOYSA-N
-rxn:4:221121:228072,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cccc(Cl)c6s5)ccc43)CC2)CC1,BEZXYGIUVPHSCP-UHFFFAOYSA-N
-rxn:4:221121:228500,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C(F)(F)F)nc5)ccc43)CC2)CC1,XUUAZTIUXFAYCT-UHFFFAOYSA-N
-rxn:4:221121:228613,CCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,NYYKZBOKBYHOIB-UHFFFAOYSA-N
-rxn:4:221121:228692,CN(C)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,HJPBKMKDDKABDT-UHFFFAOYSA-N
-rxn:4:221121:228880,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)nc(C#N)c5)ccc43)CC2)CC1,URHXENGCSGWYEZ-UHFFFAOYSA-N
-rxn:4:221121:229179,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cnc5F)ccc43)CC2)CC1,RADSPKSBMIENTA-UHFFFAOYSA-N
-rxn:4:221146:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(CCn5cccn5)CC4)nc3)c(F)cc2C)CC1,NJWWHEBHZMNFAT-UHFFFAOYSA-N
-rxn:4:221146:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(CCn5cccn5)CC4)nc3)cc2)CC1,VSVVFVUUGQSTTI-UHFFFAOYSA-N
-rxn:4:221146:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(OC3CCN(CCn4cccn4)CC3)nc2)CC1,SLDQTMCXHUJNLS-UHFFFAOYSA-N
-rxn:4:221147:222694,N#Cc1ccnc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,SSYQHGGATGNNJR-UHFFFAOYSA-N
-rxn:4:221150:222684,N#Cc1cccc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)n1,QRVFUTJDIRPCQS-UHFFFAOYSA-N
-rxn:4:221153:222684,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)c1,LZZXMQCWRHOIBP-UHFFFAOYSA-N
-rxn:4:221153:222693,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)c1,CCYHIIMMGOTSTB-UHFFFAOYSA-N
-rxn:4:221157:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2)CC1,MSHOWHUGVCDBGW-UHFFFAOYSA-N
-rxn:4:221166:222684,CSc1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(N2CCC(COc3cnccn3)CC2)n1,TXNQENRSVZULOF-UHFFFAOYSA-N
-rxn:4:221172:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)cc1OCC,FPNBXXIQKCJCQJ-UHFFFAOYSA-N
-rxn:4:221179:222684,Clc1cc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)ccc1OCCN1CCNCC1,LLHQVCGYYDBFKP-UHFFFAOYSA-N
-rxn:4:221185:222684,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)n1,ZKAMODBBQGWWIQ-UHFFFAOYSA-N
-rxn:4:221188:222684,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)n1,NTLYSUCWXWSGLR-UHFFFAOYSA-N
-rxn:4:221190:224612,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,IGMUFMVNLZCEQM-UHFFFAOYSA-N
-rxn:4:221193:222684,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)CC1,ZWUQDZMXPIPQCT-UHFFFAOYSA-N
-rxn:4:221194:223060,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(Cl)nc(C5CCNCC5)c4)cn3)CC2)cn1C,HEGYNCARYOGCRK-UHFFFAOYSA-N
-rxn:4:221195:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,OKNKSZTUHBKHQM-UHFFFAOYSA-N
-rxn:4:221206:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1,QQVROJCWBAPGAS-UHFFFAOYSA-N
-rxn:4:221206:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)ncn5)CC4)cc3)ccc2F)CC1,UWBIZOYLBGLUFV-UHFFFAOYSA-N
-rxn:4:221207:222684,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,OWJSADJOVUUAQH-UHFFFAOYSA-N
-rxn:4:221208:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CCN5CCN(c6cc(C)nc(N7CCOCC7)n6)CC5)cc4)c3C(=O)C1C2(C)C,UGSWBFNGUPSQNS-UHFFFAOYSA-N
-rxn:4:221208:226844,Cc1cc(N2CCN(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,UTJRTUMPKGCJQT-UHFFFAOYSA-N
-rxn:4:221224:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(OCc3nn4c(CN5CCCCCC5)nnc4s3)cc2)c1,RFNGNEUKHUGKAU-UHFFFAOYSA-N
-rxn:4:221227:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)cc2F)CC1,JQKAXBXLHBKFTK-UHFFFAOYSA-N
-rxn:4:221232:222826,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C1)CCOC2,KXYJGMHWZJAXIH-UHFFFAOYSA-N
-rxn:4:221250:223753,Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)cc1OCCCN1CCN(C)CC1,KMFODIIJMDUCBZ-UHFFFAOYSA-N
-rxn:4:221252:222684,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,UBOGMGSWGVWMGH-UHFFFAOYSA-N
-rxn:4:221353:223755,CC1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)cc2F)CC1,LFDYPVBIKVSKOI-UHFFFAOYSA-N
-rxn:4:221369:222716,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)ccc1=O,OMPWEONCMATCOF-UHFFFAOYSA-N
-rxn:4:221369:224620,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)C2)ccc1=O,POKFPZVCJPBDAR-UHFFFAOYSA-N
-rxn:4:221379:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cc2)CC1,ITIULNWDABOEIN-UHFFFAOYSA-N
-rxn:4:221382:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,MDERTPSVMILDLP-UHFFFAOYSA-N
-rxn:4:221389:222540,Cc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)c1C,LZPJWMDCQVCNKK-UHFFFAOYSA-N
-rxn:4:221391:222684,CSc1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,XAKYXVJXEPNSLW-UHFFFAOYSA-N
-rxn:4:221393:225011,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccc(C5(C#N)CCCC5)c4F)c3)CC2)cn1,IRJCZWBAGDVKQL-UHFFFAOYSA-N
-rxn:4:221394:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,JNWZKEKJPQIHHW-UHFFFAOYSA-N
-rxn:4:221398:224198,CCN1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(C)CC5)CC4)nc3)c(F)c2)CC1,DMGHWGKVXPXMBH-UHFFFAOYSA-N
-rxn:4:221407:222632,CN(C)c1ccc(N2CCN(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)nn1,WFFVJAZAFDINSX-UHFFFAOYSA-N
-rxn:4:221411:224267,Cn1nc(C2CCN(C(=O)c3cncc(-c4cccc(N5CCC6(CC5)OCCO6)c4)c3)CC2)n(C2CC2)c1=O,CTLFDMZMGGPJBL-UHFFFAOYSA-N
-rxn:4:221416:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)o3)cc2)CC1,VERJCVQDJTWSEI-UHFFFAOYSA-N
-rxn:4:221416:225276,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1C(F)(F)F,FCJIVYLVFUGQOT-UHFFFAOYSA-N
-rxn:4:221432:225203,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C(F)(F)F)c(C5CC5)cc4C)c3)CC2)n1,ZWCCFYJZZHQPNF-UHFFFAOYSA-N
-rxn:4:221433:222684,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,PSNUZXKEYYWVTR-UHFFFAOYSA-N
-rxn:4:221435:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,LENNNSJNRGWILN-UHFFFAOYSA-N
-rxn:4:221435:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)cc2)CC1,CYUKMRBYPQEZEG-UHFFFAOYSA-N
-rxn:4:221440:225632,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc3)CC2)n1,WHHSBWOVABJGCS-UHFFFAOYSA-N
-rxn:4:221440:226923,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(C5CC5)cc4C)cc3)CC2)n1,AUCIMJDWRNENFV-UHFFFAOYSA-N
-rxn:4:221443:226513,COC(=O)c1cc(C#N)cc(-c2cccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)c1,DABIPGAUBMKBDN-UHFFFAOYSA-N
-rxn:4:221447:222404,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5NC(=O)NC5=O)cc4)cc3)CC2)nc(N2CCOCC2)n1,HDDZLQBCJRSTSR-UHFFFAOYSA-N
-rxn:4:221447:222589,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,IEQQGDZPJIDXPI-UHFFFAOYSA-N
-rxn:4:221447:222724,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,JPCOLNBBBWWMDP-UHFFFAOYSA-N
-rxn:4:221447:222982,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3)CC2)nc(N2CCOCC2)n1,JNEATUCMVUSCAO-GDLZYMKVSA-N
-rxn:4:221447:223095,CC(=O)Nc1cccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1[N+](=O)[O-],UVOLRBZIVAEMQM-UHFFFAOYSA-N
-rxn:4:221447:223099,Cc1cc(N2CCN(Cc3ccc(-c4cccc(NC(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,FBDIYLFELAGVGL-UHFFFAOYSA-N
-rxn:4:221447:224278,Cc1cc(N2CCN(Cc3ccc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,WVYWFBYZYYPFBO-UHFFFAOYSA-N
-rxn:4:221447:225202,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCC5)cc(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,WYWBKWHUSPVIDR-UHFFFAOYSA-N
-rxn:4:221447:225804,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)N5CCC5)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,KWFBYFCWXHMFES-UHFFFAOYSA-N
-rxn:4:221447:226270,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C=C(C#N)C#N)c4)cc3)CC2)nc(N2CCOCC2)n1,NNMPVBZACFQNBI-UHFFFAOYSA-N
-rxn:4:221447:226643,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCOCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,CGECZVZJPJSJPB-UHFFFAOYSA-N
-rxn:4:221447:227404,Cc1cc(N2CCN(Cc3ccc(-c4cc(N5CCCCC5)cs4)cc3)CC2)nc(N2CCOCC2)n1,FJVOHZQQUFUFEV-UHFFFAOYSA-N
-rxn:4:221453:222684,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,GIFYXZNZJBWRKV-UHFFFAOYSA-N
-rxn:4:221453:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)c(F)cc2C)CC1,KQWNZBUNBOTQJI-UHFFFAOYSA-N
-rxn:4:221455:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,HDCIPTZLUCWMPL-UHFFFAOYSA-N
-rxn:4:221456:225632,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc3)CC2)n1,YVBIMMJOWJDQSC-UHFFFAOYSA-N
-rxn:4:221456:225664,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4Cl)cc3)CC2)n1,ZRENAEXXMHAULE-UHFFFAOYSA-N
-rxn:4:221456:227037,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ccc4C4CC4)cc3)CC2)n1,GBQNPECFRMQNJG-UHFFFAOYSA-N
-rxn:4:221535:222632,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)n(C)c1=O,ACQKFKSKXWTGCX-UHFFFAOYSA-N
-rxn:4:221541:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCn5c4nc4c5c(=O)n(CCOC)c(=O)n4C)cc3)c2)CC1,RIFNQFFQCLPLNO-UHFFFAOYSA-N
-rxn:4:221552:224768,CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)cc2)n(C)c1=O,RRNBCRZRHMUZJE-UHFFFAOYSA-N
-rxn:4:221639:223577,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)n1,WUEDFCARYAKGMI-UHFFFAOYSA-N
-rxn:4:221667:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4ncnc5c4CCC5)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,WQUGYKNZNCFFKV-UHFFFAOYSA-N
-rxn:4:221726:222684,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,IIUIAMWWWABVNG-UHFFFAOYSA-N
-rxn:4:221732:222684,Cn1c(N2CC3CN(C(=O)c4cncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)CC3C2)nc2ccccc21,UXJDVUUOEGPJTF-UHFFFAOYSA-N
-rxn:4:221742:222716,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cc2)n(C)c1=O,UXCNZXPAZXUVBP-UHFFFAOYSA-N
-rxn:4:221764:222684,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1C1CCCC1,FRAWPEBGLPGXFG-UHFFFAOYSA-N
-rxn:4:221832:222684,O=S1(=O)N=C(N2CCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)c2ccccc21,BNVQBKIUYRMJIX-UHFFFAOYSA-N
-rxn:4:221832:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,TXVMZPLOSDVDIC-UHFFFAOYSA-N
-rxn:4:221836:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,SMZPUTPBLCEHTM-UHFFFAOYSA-N
-rxn:4:221914:225998,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cc(C(=O)OC)cc([N+](=O)[O-])c4)cc3)n2)CC1,XNCBLYZCUTVZGB-UHFFFAOYSA-N
-rxn:4:221917:224198,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(CN6CCN(CC)CC6)cc5F)c4)CC3)nn2)n1,NQCJIJUTABULAB-UHFFFAOYSA-N
-rxn:4:221933:224246,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2F)CC1,RFYFUQSUPWHRTH-UHFFFAOYSA-N
-rxn:4:221935:222684,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,YWSVKKBGOJFOAT-UHFFFAOYSA-N
-rxn:4:221937:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)cc2)CC1,IELXLNKJIHNLGP-UHFFFAOYSA-N
-rxn:4:221959:223753,COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)n2)CC1,AALSRXGGUYYAIP-UHFFFAOYSA-N
-rxn:4:221960:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)cc2)CC1,GGJXZTRZGOHWKL-UHFFFAOYSA-N
-rxn:4:221965:222684,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)CC3)nn2)CC1,DKKDFWPZKBICGE-UHFFFAOYSA-N
-rxn:4:221965:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c2)CC1,YTWBUPVLHBPDQM-UHFFFAOYSA-N
-rxn:4:221966:222540,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,CGFLTKUCNSLWPS-UHFFFAOYSA-N
-rxn:4:221967:222725,CCNS(=O)(=O)c1ccc(-c2ccc(-n3nnc4c(=O)n(C(C(C)=O)C(=O)N(C)C)cnc43)cc2)c(C(F)(F)F)c1,JNEREOQUYJAHFQ-UHFFFAOYSA-N
-rxn:4:221975:222684,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,YDWVSHGDTWULQB-UHFFFAOYSA-N
-rxn:4:221975:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)CC1,PATFDUBIXLPDKG-UHFFFAOYSA-N
-rxn:4:221976:224991,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(C7CC7)nc(N7CCCC7)c6)c5)no4)C3C2=O)cc1,MSNSZCWZQDZKHH-UHFFFAOYSA-N
-rxn:4:221981:224612,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCN7CCOCC7)cc6)c5)no4)C3C2=O)cc1,DQZRIMUZIOYLAV-UHFFFAOYSA-N
-rxn:4:221994:222684,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HJRLTZRQWACESR-UHFFFAOYSA-N
-rxn:4:222020:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)c2)c1,YGIUYBCOGIUOEO-UHFFFAOYSA-N
-rxn:4:222020:223753,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)c2)cc1OCCCN1CCN(C)CC1,GRFXFMFQJRZSNJ-UHFFFAOYSA-N
-rxn:4:222029:224768,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)CC2)n1,ZSANDZQSIPAGND-UHFFFAOYSA-N
-rxn:4:222034:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)cc3)cc2)CC1,ZYWPVUPHVAGCFN-UHFFFAOYSA-N
-rxn:4:222041:222540,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)nn2)n1,BPZIQCOBVCEWLM-UHFFFAOYSA-N
-rxn:4:222041:222684,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)o4)CC3)nn2)n1,JWHJNYWSRMXYKN-UHFFFAOYSA-N
-rxn:4:222045:223835,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)c4)CC3)nn2)n1,AIEIBQIUFBZHRC-UHFFFAOYSA-N
-rxn:4:222046:222466,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,QBEIBSRFRKJFJI-UHFFFAOYSA-N
-rxn:4:222046:222612,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)CC1,AFLDPGRMZVYGNA-UHFFFAOYSA-N
-rxn:4:222052:223895,CCN1CCN(CCOc2ccc(-c3ccc(-n4nnc(C(=O)N5CCN(c6ccccn6)CC5)c4C)cc3C)cc2)CC1,DEFJYSPGFZBTFE-UHFFFAOYSA-N
-rxn:4:222054:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc1Cl,NWUPQRIUAYIFNJ-UHFFFAOYSA-N
-rxn:4:222061:224612,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(OCCN6CCOCC6)cc5)c4)CC3)nn2)c(C)c1C,VNUQNADHYBBRSO-UHFFFAOYSA-N
-rxn:4:222062:222684,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,ZLXMXBYNHHGLKF-UHFFFAOYSA-N
-rxn:4:222062:223279,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,SOINMPMARLJFAF-UHFFFAOYSA-N
-rxn:4:222062:228815,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1,FXWWCJUHWWMUAT-UHFFFAOYSA-N
-rxn:4:222062:228842,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(F)c4C)cc3)CC2)n1,KDCWMDWNJVZHAO-UHFFFAOYSA-N
-rxn:4:222076:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N(C)C3CN(c4ccc5nncn5n4)C3)cc2)CC1,ZLYNZUXYUBMKIM-UHFFFAOYSA-N
-rxn:4:222077:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)cc2[N+](=O)[O-])CC1,LGIWJHZDIIUBIP-UHFFFAOYSA-N
-rxn:4:222083:222684,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)no3)C2C(=O)N1c1ccccc1,ZLMWWWHJGGBPQJ-UHFFFAOYSA-N
-rxn:4:222088:222684,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)no3)C2C(=O)N1c1ccc(F)cc1,XIAFOXPBACALCN-UHFFFAOYSA-N
-rxn:4:222102:222684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,YLPJNWYZKFXDKC-UHFFFAOYSA-N
-rxn:4:222103:222684,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cc5)C(=O)C43)n2)cc1,AYRVFOJGVVEMHB-UHFFFAOYSA-N
-rxn:4:222106:222684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccc(OCCN6CCNCC6)c(Cl)c5)no4)C3C2=O)cc1F,SABQLFMTACORGO-UHFFFAOYSA-N
-rxn:4:222107:222684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)c5)no4)C3C2=O)cc1F,QIESLMJALDGSNO-UHFFFAOYSA-N
-rxn:4:222108:222440,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NCc7ccco7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,HYMGODMHPHMGPP-UHFFFAOYSA-N
-rxn:4:222108:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)c2)cc1,KDPIJKPKBNEYFQ-UHFFFAOYSA-N
-rxn:4:222108:222630,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,HOTCTCAHHMMNPD-UHFFFAOYSA-N
-rxn:4:222108:222677,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)cc6CNC(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,GSZIRUHWCWTDAK-UHFFFAOYSA-N
-rxn:4:222108:222751,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,KDTIEPGQGIBIEC-UHFFFAOYSA-N
-rxn:4:222108:222799,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)c(C)c6)cc5)no4)C3C2=O)cc1F,DVQMOBJRQZOBDG-UHFFFAOYSA-N
-rxn:4:222108:223029,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)C)cc6)cc5)no4)C3C2=O)cc1F,TVPSIAUOMHPBEQ-UHFFFAOYSA-N
-rxn:4:222108:223051,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)ccc6Cl)cc5)no4)C3C2=O)cc1F,FUZPVZWPAGAAQM-UHFFFAOYSA-N
-rxn:4:222108:223074,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NS(=O)(=O)C7CC7)c6)cc5)no4)C3C2=O)cc1F,MTQXGZLSMHEWTP-UHFFFAOYSA-N
-rxn:4:222108:223888,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)N(C(=O)OC(C)(C)C)CCC7)cc5)no4)C3C2=O)cc1F,VSDYKANAOGRAHZ-UHFFFAOYSA-N
-rxn:4:222108:223911,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CCOCC1,YAZVONULAZJOBF-UHFFFAOYSA-N
-rxn:4:222108:224064,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1F,IJVIIWJHVSJBNS-UHFFFAOYSA-N
-rxn:4:222108:224313,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,QURKNSQGSCXVPF-UHFFFAOYSA-N
-rxn:4:222108:224685,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCC(=O)CC7)c6)cc5)no4)C3C2=O)cc1F,AKXBOWRQGBTFDZ-UHFFFAOYSA-N
-rxn:4:222108:224686,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1F,CXCRMBUGPRLLAQ-UHFFFAOYSA-N
-rxn:4:222108:224760,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6)cc5)no4)C3C2=O)cc1F,GJBCIDCGRFGJKK-UHFFFAOYSA-N
-rxn:4:222108:224804,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)c(OC(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,QGYZXFIRQACHLD-UHFFFAOYSA-N
-rxn:4:222108:224962,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COC6CCOCC6)cc5)no4)C3C2=O)cc1F,RCJZMUBNQMQFOB-UHFFFAOYSA-N
-rxn:4:222108:225004,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6)cc5)no4)C3C2=O)cc1F,GEPJTHOJZHEVJF-UHFFFAOYSA-N
-rxn:4:222108:225059,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)cc6Cl)cc5)no4)C3C2=O)cc1F,YQTNREWMJQDFMI-UHFFFAOYSA-N
-rxn:4:222108:225189,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7C(=O)CCC7=O)c6)cc5)no4)C3C2=O)cc1F,RNHSCURMUCMNQP-UHFFFAOYSA-N
-rxn:4:222108:225309,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C(F)(F)F)c6Cl)cc5)no4)C3C2=O)cc1F,UBDDDCXOYLFLGV-UHFFFAOYSA-N
-rxn:4:222108:225352,CC(=O)Oc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,VFMPTYAILJHVSV-UHFFFAOYSA-N
-rxn:4:222108:225365,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)c(F)c(OC(C)C)c(F)c6F)cc5)no4)C3C2=O)cc1F,AFEDCVWZYHGOIM-UHFFFAOYSA-N
-rxn:4:222108:225408,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c8c(c6)CCCN8CCC7)cc5)no4)C3C2=O)cc1F,FOLIQZMIHFYWGF-UHFFFAOYSA-N
-rxn:4:222108:225466,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6)cc5)no4)C3C2=O)cc1F,MZPUZKTZCNMGCD-UHFFFAOYSA-N
-rxn:4:222108:225521,CCCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1OC,RQHVESMXSZNDEP-UHFFFAOYSA-N
-rxn:4:222108:225529,CCN(CC)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1F,LKSWKWPNIIWRFK-UHFFFAOYSA-N
-rxn:4:222108:225534,CCN(CC)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1Cl,IQAVCYAKPRQQLJ-UHFFFAOYSA-N
-rxn:4:222108:225584,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)cc6)cc5)no4)C3C2=O)cc1F,ZODSHXLUPHLGCT-UHFFFAOYSA-N
-rxn:4:222108:225621,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOC7)c(C)c6)cc5)no4)C3C2=O)cc1F,CPDWJQMMDWMLIH-UHFFFAOYSA-N
-rxn:4:222108:225715,COCCOCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1F,RRSMGTGODNVKPA-UHFFFAOYSA-N
-rxn:4:222108:225804,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,VBBSIEQZGBOORN-UHFFFAOYSA-N
-rxn:4:222108:225825,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1F,SSMMOIFSOFMELX-UHFFFAOYSA-N
-rxn:4:222108:225923,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCCC7)nc6Cl)cc5)no4)C3C2=O)cc1F,HISHJEDHANPRNM-UHFFFAOYSA-N
-rxn:4:222108:225924,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C)cc6C)cc5)no4)C3C2=O)cc1F,PZSRHWHDMKMFJL-UHFFFAOYSA-N
-rxn:4:222108:225985,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCS7(=O)=O)c6)cc5)no4)C3C2=O)cc1F,PQPSLQCZJANTAG-UHFFFAOYSA-N
-rxn:4:222113:224684,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc3)c2=O)CC(C)O1,CCTKFFPZTQAKNM-UHFFFAOYSA-N
-rxn:4:222124:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)cc1,FYXMXTCCLQWMPS-UHFFFAOYSA-N
-rxn:4:222127:222684,Cn1nc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)n[nH]3)CC2)c2ccccc21,YGRZXEGQKOGYAM-UHFFFAOYSA-N
-rxn:4:222136:222684,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)nnn3c3ccccc23)CC1,YFBFMISPYPQIMA-UHFFFAOYSA-N
-rxn:4:222143:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1,AKWFHISEWUMVML-UHFFFAOYSA-N
-rxn:4:222168:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)CC1,PNOCILNNVJQODW-UHFFFAOYSA-N
-rxn:4:222235:224612,CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)c(=O)n3C)n2C1C,ATFBVUNXFVAMRM-UHFFFAOYSA-N
-rxn:4:222251:223753,Cc1ccc(-c2cnc(N(C)C3CN(c4nccnc4C#N)C3)c(C#N)c2)cc1OCCCN1CCN(C)CC1,WBYROTPQUPBXTA-UHFFFAOYSA-N
-rxn:4:222274:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5Cc4ccccc4)CC3)o2)c1,CVNWMHOGCKGDTB-UHFFFAOYSA-N
-rxn:4:222281:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(OC)cc5)CC4)cc3)c(F)c2)CC1,CJBHYSBDLNIESH-UHFFFAOYSA-N
-rxn:4:222296:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)cc2[N+](=O)[O-])CC1,HVWIDZQCNBKCPA-UHFFFAOYSA-N
-rxn:4:222297:222546,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCCC6)c(F)c5)o4)CC3)ncnc21,BDQJJNPWBAAUEU-UHFFFAOYSA-N
-rxn:4:222327:224485,Cc1cc(N(C)C)nc(N2CCN(c3ncc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cn3)CC2)n1,APLKRKNQFZRZAK-UHFFFAOYSA-N
-rxn:4:222330:222522,COc1ccc(-c2cnc(N3CCN(c4ccc(-c5sc(C)nc5C)nn4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,ISZJBDQMUDUSHK-UHFFFAOYSA-N
-rxn:4:222337:222389,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,YBRQUGXIHOBOFL-UHFFFAOYSA-N
-rxn:4:222337:222632,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)CC2)n1,ROCJOSXHSLXXGQ-UHFFFAOYSA-N
-rxn:4:222338:225828,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)CC2)n1,BPTWGHSOMIUYLI-UHFFFAOYSA-N
-rxn:4:222345:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5C)CC3)o2)cc1OCCCN1CCN(C)CC1,PYAILHGHZKIWMZ-UHFFFAOYSA-N
-rxn:4:222346:223831,COc1ccc(-c2cncc(C(=O)N3CC4CN(c5ccc6nncn6n5)CC4C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,KYBQCRAHBIWGPD-UHFFFAOYSA-N
-rxn:4:222380:223593,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cn5)CC4C3)ncnc21,NHYPCCSBLKCMAI-UHFFFAOYSA-N
-rxn:4:222380:223606,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)c(F)c6)cn5)CC4C3)ncnc21,JKTONPVTWRFFCB-UHFFFAOYSA-N
-rxn:4:222380:223831,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OC)c(S(=O)(=O)N7CCC(C)CC7)c6)cn5)CC4C3)ncnc21,PPFLMOUVBDVZDZ-UHFFFAOYSA-N
-rxn:4:222380:223892,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCCN7CCN(C)CC7)cc6)cn5)CC4C3)ncnc21,LZOQTQLIZGGUGI-UHFFFAOYSA-N
-rxn:4:222380:223904,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C7CN(C(=O)OC(C)(C)C)C7)c6)cn5)CC4C3)ncnc21,ZKIXSBBTXMKPRP-UHFFFAOYSA-N
-rxn:4:222380:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2Cl)CC1,RNWWSLHKEMGKKS-UHFFFAOYSA-N
-rxn:4:222380:224288,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N(C)C(=O)OC(C)(C)C)cc6Cl)cn5)CC4C3)ncnc21,JODWOFFOCGKVOC-UHFFFAOYSA-N
-rxn:4:222382:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCN(c5ccc6nncn6n5)CC4)nc3)cc2[N+](=O)[O-])CC1,WZVKRRUGIWCQSK-UHFFFAOYSA-N
-rxn:4:222389:206683,Fc1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1CN1CCCCC1,ZZKQCFODPISMKL-UHFFFAOYSA-N
-rxn:4:222394:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1OC,NHELTTKRRWRMED-WKILWMFISA-N
-rxn:4:222442:187598,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12)N1CC(S(=O)(=O)C2CCCCC2)C1,KPBBWLWSTLTWQP-UHFFFAOYSA-N
-rxn:4:222513:216293,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1c1cncnc1C2,YVZWDOGTYYYIGF-UHFFFAOYSA-N
-rxn:4:222543:178327,COC(=O)C1(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cc2)CCCCC1,QPZMRONHVPXXGE-UHFFFAOYSA-N
-rxn:4:222543:184112,CCN(CC)C(=O)COc1ccc2ccccc2c1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,IERZPJPWRJYTNA-UHFFFAOYSA-N
-rxn:4:222543:184223,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)nc3ccc(C)cc23)cc1,UWXBVJUXHUZYIN-UHFFFAOYSA-N
-rxn:4:222680:197936,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc2c(c1)CN(C(C)(C)C)C(=O)CO2,MAHRGASJHPOIFP-UHFFFAOYSA-N
-rxn:4:222682:197991,COc1cccc(-c2ccc3c(c2)CCCC3N2CCC(C)CC2)c1NC(=O)OC(C)(C)C,PBIQYFLPUJJABM-UHFFFAOYSA-N
-rxn:4:222742:216231,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(C2CCNCC2)nc(C2CC2)c1,PJSRBHJBDLXFOY-UHFFFAOYSA-N
-rxn:4:222821:204681,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)ccc1F,DXYPMGBPTONCRQ-UHFFFAOYSA-N
-rxn:4:222882:176168,CC(C)[Si](c1c(F)cc(-c2cc(F)ccc2C(=O)NC(C)(C)C)cc1F)(C(C)C)C(C)C,ZESSLYWOVGKZDE-UHFFFAOYSA-N
-rxn:4:222891:178594,COc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C2CCNCC2)n1,KIHDYYYOYZMRRJ-UHFFFAOYSA-N
-rxn:4:222891:193967,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(C2CCNCC2)n1,DZSDMZGJTLDEMI-UHFFFAOYSA-N
-rxn:4:222901:219468,CCCS(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1,WTNJHTRFOAATLV-UHFFFAOYSA-N
-rxn:4:222910:204682,CCCNS(=O)(=O)c1ccc(-c2nc(C)cc3c2CN(C(=O)OC(C)(C)C)CC3)c(C)c1,ANEBSQUPAKPMCR-UHFFFAOYSA-N
-rxn:4:222941:187437,CONS(=O)(=O)c1c(C)cc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1C,WSUWSEHHBFYGTG-UHFFFAOYSA-N
-rxn:4:223521:194539,CC(c1cccc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JAASWXUFBNVSFX-UHFFFAOYSA-N
-rxn:4:223900:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)cc1OC,RBUOZUOJFZXPCR-UHFFFAOYSA-N
-rxn:5:177190:222990:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(O)CC3)cc2)c1,GGDIZTROYBOBMC-UHFFFAOYSA-N
-rxn:5:177190:222990:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,PTWAGJBWAHSNCT-UHFFFAOYSA-N
-rxn:5:177190:222992:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3O)cc2)c1,ZPQWGWXDOQZYTN-UHFFFAOYSA-N
-rxn:5:177190:222992:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3O)cc2)c1,DBYGXMFGHHRTSQ-UHFFFAOYSA-N
-rxn:5:177190:222992:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCC3O)cc2)c1,ITAITFXHSTYQJW-UHFFFAOYSA-N
-rxn:5:177190:222994:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCC(O)CC3)c2)c1,GSQOYSAIDCSAKF-UHFFFAOYSA-N
-rxn:5:177190:222994:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,FYGIXUDVONWRNR-UHFFFAOYSA-N
-rxn:5:177190:225455:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cc(N3CCCCC3)ccc2C)c1,IOLYJQAKZMRMFG-UHFFFAOYSA-N
-rxn:5:177190:225455:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,IGHBVLFVJPNOLT-UHFFFAOYSA-N
-rxn:5:177190:225455:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,XLVQDQBULHBRDX-UHFFFAOYSA-N
-rxn:5:177190:225455:225640,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,ZFBCTLVRJLUJKA-UHFFFAOYSA-N
-rxn:5:177190:225455:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,BMFHPPJBXQEKBN-UHFFFAOYSA-N
-rxn:5:177190:225455:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,PURKOIFMXACKNO-UHFFFAOYSA-N
-rxn:5:177190:225455:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,GGKIXPYZXSCIIH-UHFFFAOYSA-N
-rxn:5:177190:225461:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(N3CCCCC3)cc2C)c1,XYWPPBICYRRDCI-UHFFFAOYSA-N
-rxn:5:177190:225461:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,NVSRBDUENQNNFU-UHFFFAOYSA-N
-rxn:5:177190:225461:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,QKLQYWRDLFOVIZ-UHFFFAOYSA-N
-rxn:5:177190:225461:225640,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,ADKDYWDFTZXYRE-UHFFFAOYSA-N
-rxn:5:177190:225461:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,VKGCSIGDCFHZAJ-UHFFFAOYSA-N
-rxn:5:177190:225461:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,SCCRBMRSJGDCRO-UHFFFAOYSA-N
-rxn:5:177190:225461:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,YJNZWQBWDFUBQV-UHFFFAOYSA-N
-rxn:5:177190:225461:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,NYXUGYHGMYMWGA-UHFFFAOYSA-N
-rxn:5:177190:225462:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,ZQYFDRVGXSVZQA-UHFFFAOYSA-N
-rxn:5:177190:225577:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCCC3)cc2C#N)c1,YLBXXSPADSKVOX-UHFFFAOYSA-N
-rxn:5:177190:225584:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(C(=O)N3CCCC3)cc2)c1,RRKMIOAZJJHGOS-UHFFFAOYSA-N
-rxn:5:177190:225633:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,ARZMNSSZBJSFOT-UHFFFAOYSA-N
-rxn:5:177190:225633:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCCCCC3)nc2)c1,QCANQNOTECPNSM-UHFFFAOYSA-N
-rxn:5:177190:225633:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCCCCC3)nc2)c1,LVPSANMOKDRHCL-UHFFFAOYSA-N
-rxn:5:177190:225634:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,LALCBKMALHZWOE-UHFFFAOYSA-N
-rxn:5:177190:225634:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,QVNLQAGNIXDHND-UHFFFAOYSA-N
-rxn:5:177190:225634:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cnc(N3CCCCC3)c(C)c2)c1,FIJCKJUGAIBILL-UHFFFAOYSA-N
-rxn:5:177190:225634:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cnc(N3CCCCC3)c(C)c2)c1,HNUDXYXWEVYWJB-UHFFFAOYSA-N
-rxn:5:177190:225634:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,ARGCXRMHPNKTGK-UHFFFAOYSA-N
-rxn:5:177190:225634:225470,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,GGHMBZBSMAXZGC-UHFFFAOYSA-N
-rxn:5:177190:225634:225616,CCS(=O)(=O)Cc1ccc(-c2ccccc2C(=O)N2CCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,DZZNREPUWWTKMM-UHFFFAOYSA-N
-rxn:5:177190:225636:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,JQSPQWRKFHOJEX-UHFFFAOYSA-N
-rxn:5:177190:225638:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,GCGHTGVNCSEPGO-UHFFFAOYSA-N
-rxn:5:177190:225640:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCCCC3C)c2)c1,PKMORLOSEUIWGA-UHFFFAOYSA-N
-rxn:5:177190:225640:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccnc(N3CCCCC3C)c2)c1,LAFAWZCXSRIYRQ-UHFFFAOYSA-N
-rxn:5:177190:225652:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cncc(N3CCCC(C)C3)c2)c1,YUZMPTFSADQFCU-UHFFFAOYSA-N
-rxn:5:177190:225652:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cncc(N3CCCC(C)C3)c2)c1,SBXZEBJPMJWVMK-UHFFFAOYSA-N
-rxn:5:177190:225654:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCCC(C)C3)nc2)c1,MWGQCQRCTBPGSU-UHFFFAOYSA-N
-rxn:5:177190:225654:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCCC(C)C3)nc2)c1,WGLUWGCKURPRHP-UHFFFAOYSA-N
-rxn:5:177190:225655:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,AXBXIPJESQKOQG-UHFFFAOYSA-N
-rxn:5:177190:225655:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cncc(N3CCC(C)CC3)c2)c1,VMPTVBGGIVQZSO-UHFFFAOYSA-N
-rxn:5:177190:225656:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cncc(N3CCCCC3C)c2)c1,ZMFJXWSECPUORQ-UHFFFAOYSA-N
-rxn:5:177190:225656:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cncc(N3CCCCC3C)c2)c1,KTEQBAZCQHIRCE-UHFFFAOYSA-N
-rxn:5:177190:225986:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,LUUHKDANMWTLEK-UHFFFAOYSA-N
-rxn:5:177190:226426:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(C)CC3)s2)c1,CLJZQXACAWWIPW-UHFFFAOYSA-N
-rxn:5:177190:226427:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cc(N3CCC(C)CC3)cs2)c1,VINNYNBDODEPHJ-UHFFFAOYSA-N
-rxn:5:177190:226427:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cc(N3CCC(C)CC3)cs2)c1,BJQPOHNJQLXIOY-UHFFFAOYSA-N
-rxn:5:177190:227613:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(C3CCOCC3)c2)c1,XNXGUVHMYGOIFD-UHFFFAOYSA-N
-rxn:5:177193:223065:226427,CCOC(=O)c1cc(C)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCC(C)CC2)cs1,SZABJMODVZRYRT-UHFFFAOYSA-N
-rxn:5:177373:226428:226350,COC(=O)c1c(C)ccc(-c2ccc(OCC3OCCO3)c(-c3cc(N4CCCCC4C)cs3)c2)c1C,OMMWBCRQEQIQHN-UHFFFAOYSA-N
-rxn:5:177373:227804:223058,O=[N+]([O-])c1cc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,AARRRUOQSGNEJO-UHFFFAOYSA-N
-rxn:5:177373:227804:225671,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SFAUTZHVTSTASR-UHFFFAOYSA-N
-rxn:5:177729:223240:223054,CC(c1ccc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,BUIZTUHYTNMFFF-UHFFFAOYSA-N
-rxn:5:177729:225438:223133,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccccc3N3CCNCC3)c2)cc1)N1CCCC1,XCWPSRHTERQHAV-UHFFFAOYSA-N
-rxn:5:177732:225849:226663,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)c1,UGLOIHBFQBAFKV-UHFFFAOYSA-N
-rxn:5:177733:225438:223139,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4CCNCC4)nc3)c2)cc1)N1CCCC1,KCJGQSNWLUMYLK-UHFFFAOYSA-N
-rxn:5:177734:223018:223294,Cc1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,MMKAAGRQNCXLKH-UHFFFAOYSA-N
-rxn:5:177734:223131:226662,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,ZOYSDMAMGZJIJM-UHFFFAOYSA-N
-rxn:5:177737:225849:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,HWRCWJATTGZMTO-UHFFFAOYSA-N
-rxn:5:177737:225982:225439,CC(c1cccc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,NCRBCGNHZCUBIH-UHFFFAOYSA-N
-rxn:5:177737:226794:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cnc(N2CCSCC2)nc1,PRUKGUVVMVGECG-UHFFFAOYSA-N
-rxn:5:177738:222984:226131,COc1cc(-c2ccccc2CN2CCCC2)c(-c2ccc(CN3CCC(O)C3)cc2)cc1OC1CCC1,ODZDNQCSDITZJT-UHFFFAOYSA-N
-rxn:5:177739:223018:223183,CNS(=O)(=O)c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C)c1,WYJLJOKWRIXGQQ-UHFFFAOYSA-N
-rxn:5:177739:226059:223018,CC(C)c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(C)C)c1,JZBYMQNSKZFILD-UHFFFAOYSA-N
-rxn:5:177739:226679:226330,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cnc(N3CCCC3)cc2F)s1)N1CCCC1,JUVMVBMVFQKILD-UHFFFAOYSA-N
-rxn:5:177850:226731:223140,CCOc1ccc(-c2ccccc2S(=O)(=O)N(C)C)c(C2OCCO2)c1-c1ccnc(C2CCCNC2)c1,YIATZSKACUXZDC-UHFFFAOYSA-N
-rxn:5:177850:227292:222981,CCOc1ccc(-c2ccc(F)c(CN(C)C)c2)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,RDCNFJMNCBRKTF-UHFFFAOYSA-N
-rxn:5:177851:225803:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccnc(OC2CCOCC2)c1,VGUZNEFXGBKHFO-UHFFFAOYSA-N
-rxn:5:177851:227710:222957,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(C)cc(C2CCCNC2)c1,RHLMGGBGUVHRIN-UHFFFAOYSA-N
-rxn:5:177891:223281:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3(O)COC3)nc2)OCCO1,NTPINMWNCIQEHL-UHFFFAOYSA-N
-rxn:5:177891:225805:228063,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc3c(c2)COCC3)s1)N1CCOCC1,BJPUZPPYGPVLHS-UHFFFAOYSA-N
-rxn:5:177891:226665:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)cn2)CC1,YPDCZTLHKICXLQ-UHFFFAOYSA-N
-rxn:5:177891:227058:226328,COc1ccc(C2CC2)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(C(C)(C)C#N)c(F)c1,BQWGCWZYPMSYNR-UHFFFAOYSA-N
-rxn:5:177891:227119:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1cc(C2CCCCC2)cs1,PHSNAKQVMWAJJV-UHFFFAOYSA-N
-rxn:5:177891:227656:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,VYCRHGLNTGKTAO-UHFFFAOYSA-N
-rxn:5:177891:227656:223200,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNC2)cc1)c1ccccc1-c1cc(N2CCOCC2)cs1,ASJDJVJOCUWQAL-UHFFFAOYSA-N
-rxn:5:177891:227656:226665,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCCOC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,DDCVHUGNCNESFI-UHFFFAOYSA-N
-rxn:5:177891:227657:225799,O=C(SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,STAVWTAQTQLPBU-UHFFFAOYSA-N
-rxn:5:178118:222957:227507,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc(C2CCCNC2)c1,YWGXZQWKKBVPLA-UHFFFAOYSA-N
-rxn:5:178118:222958:227507,Cc1ccc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc1C1CCNCC1,PQIJIAIYLQOILS-UHFFFAOYSA-N
-rxn:5:178118:227710:222956,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)c(C2CCCNC2)c1,ZOQLMOFFLQHRTQ-UHFFFAOYSA-N
-rxn:5:178119:223281:225833,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1ccnc(N2CCCCC2)c1F,SVVKBZCOEJWNGJ-UHFFFAOYSA-N
-rxn:5:178119:225976:226729,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(OC2CCOC2)nc1,AIYTVEFQYROCGO-UHFFFAOYSA-N
-rxn:5:178120:227657:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(N2CCOCC2)s1,SONVJLYTAMBXOW-UHFFFAOYSA-N
-rxn:5:178122:225927:225880,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc(COC2CCCCO2)c(-c2cc(C3CCOCC3)ncc2F)c1,VFUPTRUGKPNPPR-UHFFFAOYSA-N
-rxn:5:178224:222998:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2)c([N+](=O)[O-])s1,GNSUBIOSNNTQDR-UHFFFAOYSA-N
-rxn:5:178225:225677:227561,COc1cc(F)c(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCC3)nc2F)cc1OC,LZURKUOYCWIMSL-UHFFFAOYSA-N
-rxn:5:178226:222986:227501,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C=C[N+](=O)[O-])cc2)cc(C2CCCNC2)n1,HQXQHNRAFRODCI-UHFFFAOYSA-N
-rxn:5:178226:226424:227690,COc1cc([N+](=O)[O-])ccc1-c1cccc(OCC2CCCCC2)c1-c1cc(N2CCCC(C)C2)cs1,VZRHXYRISIGKRC-UHFFFAOYSA-N
-rxn:5:178295:222404:227969,COC(=O)C1(c2cc(-c3ccnc(C)c3C3CC3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,QOXJRURDPCXPGV-UHFFFAOYSA-N
-rxn:5:178295:223012:226059,COC(=O)c1cc2cc(-c3ccc(-c4ccc(C(C)C)cc4C(C)C)cc3C3(C(=O)OC)CCC(=O)CC3)ccc2[nH]1,HWOXNGDOENMKNG-UHFFFAOYSA-N
-rxn:5:178295:223016:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RSDYYRDIJSEQDW-UHFFFAOYSA-N
-rxn:5:178295:223270:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,YGVCQVMPPOPXON-UHFFFAOYSA-N
-rxn:5:178295:223271:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(F)c(NC(C)=O)c2)CCC(=O)CC1,ZQFUZTQGDOQFLI-UHFFFAOYSA-N
-rxn:5:178295:223271:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VRLYHUUXCWDKDC-UHFFFAOYSA-N
-rxn:5:178295:223286:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NISOOPMQTCDKRF-UHFFFAOYSA-N
-rxn:5:178295:223354:226058,CNC(=O)c1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,JBPAIFSAKWJGTG-UHFFFAOYSA-N
-rxn:5:178295:223357:227316,COC(=O)C1(c2cc(-c3cc(F)nc(CC(C)C)c3)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,DXZGOLVWMOVTOO-UHFFFAOYSA-N
-rxn:5:178295:223421:223271,CNC(C)c1ccc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,HXQREDJNMAHSAC-UHFFFAOYSA-N
-rxn:5:178295:223421:227052,CNC(C)c1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,QVHJQTKNVFPDBW-UHFFFAOYSA-N
-rxn:5:178295:225395:228978,CCc1ccc(-c2ccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,BVJIPAFSFWGDNW-UHFFFAOYSA-N
-rxn:5:178295:226059:227875,COC(=O)C1(c2cc(-c3cccc4c3CCCO4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,HVVMVHXCSZQXQC-UHFFFAOYSA-N
-rxn:5:178295:226062:228621,COC(=O)C1(c2cc(-c3ccc(C)cc3SC)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,UVFZUMSOBULURR-UHFFFAOYSA-N
-rxn:5:178295:226062:229015,COC(=O)C1(c2cc(-c3ccsc3C(C)C)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,XXYXMGVDAGJAPQ-UHFFFAOYSA-N
-rxn:5:178295:226067:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,PCWRWYDWZLOTPA-UHFFFAOYSA-N
-rxn:5:178295:226068:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,ULDDGHFQUKWBBY-UHFFFAOYSA-N
-rxn:5:178295:226068:228582,COC(=O)C1(c2cc(-c3cnccc3C(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,RTDOMSHMLIVOOM-UHFFFAOYSA-N
-rxn:5:178295:226084:228255,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3OC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,XTJXMVRDTWZWCN-UHFFFAOYSA-N
-rxn:5:178295:226140:228521,COC(=O)C1(c2cc(-c3cc(C)c(C)c(C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,PTBAZXOWADPAHK-UHFFFAOYSA-N
-rxn:5:178295:226144:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,CBJVXAZCAFTWBP-UHFFFAOYSA-N
-rxn:5:178295:226154:227814,COC(=O)C1(c2cc(-c3ccc(CC4CC4)cc3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,UMSQZXIFERZPGO-UHFFFAOYSA-N
-rxn:5:178295:226154:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BOMRHSBBTVPJBK-UHFFFAOYSA-N
-rxn:5:178295:226190:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,AVNLXVHADPKTHA-UHFFFAOYSA-N
-rxn:5:178295:226190:229053,COCc1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,SEMULDQNNAFUMY-UHFFFAOYSA-N
-rxn:5:178295:226334:228768,CCc1cc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,OPTBMTJTQGLULF-UHFFFAOYSA-N
-rxn:5:178295:226341:228583,COC(=O)C1(c2cc(-c3ccnc(C(C)C)c3)ccc2-c2cc(C(C)C)c(F)cc2OC)CCC(=O)CC1,UTSZZXMFUNGJIG-UHFFFAOYSA-N
-rxn:5:178295:226463:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2cccc3c2cnn3C(C)=O)CCC(=O)CC1,HIOJNAREKTWEHL-UHFFFAOYSA-N
-rxn:5:178295:226589:227964,COC(=O)C1(c2cc(-c3cncc(C4(C)CC4)c3)ccc2-c2cc(C(F)F)ncc2C(C)C)CCC(=O)CC1,FYUWYQOCWOWZCK-UHFFFAOYSA-N
-rxn:5:178295:226589:229054,COCc1cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cs1,QUQIUGKJYHNTDZ-UHFFFAOYSA-N
-rxn:5:178295:226760:227907,CCC(C)c1cncc(-c2ccc(-c3cc(F)c(F)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SFCCRLLYUZEIFE-UHFFFAOYSA-N
-rxn:5:178295:226772:228767,CCc1cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,ZAYIZLYURQYKKI-UHFFFAOYSA-N
-rxn:5:178295:226910:225702,CCC(C)(C)c1ccc(-c2ccc(-c3cc4ccccc4n3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,LZJOEHJCYHATGL-UHFFFAOYSA-N
-rxn:5:178295:226910:227816,CCCc1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,OLZKVANYFSQDCV-UHFFFAOYSA-N
-rxn:5:178295:226910:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FKSWNINSEHQJLT-UHFFFAOYSA-N
-rxn:5:178295:226911:228567,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccsc2C(C)CC)cc1C1(C(=O)OC)CCC(=O)CC1,DAYOGIRMPMIULU-UHFFFAOYSA-N
-rxn:5:178295:226912:223270,COC(=O)C1(c2cc(-c3ccc(F)cc3NC(C)=O)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,IKONBUYDHHGTDQ-UHFFFAOYSA-N
-rxn:5:178295:226914:227314,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,PELSSKYPVIZRFS-UHFFFAOYSA-N
-rxn:5:178295:226914:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ZVOORGUHEBDRKB-UHFFFAOYSA-N
-rxn:5:178295:226918:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,RURDQRXTVAADKG-UHFFFAOYSA-N
-rxn:5:178295:226925:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)cc(C)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LUEAGRZDJMFPPR-UHFFFAOYSA-N
-rxn:5:178295:226959:227935,CCc1cc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,RUJGMLKVCDUFED-UHFFFAOYSA-N
-rxn:5:178295:226966:228274,COC(=O)C1(c2cc(-c3cc(SC)c(C)cc3F)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,BKIQMPVKECKNAC-UHFFFAOYSA-N
-rxn:5:178295:226966:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,ZFHXHWBAXWRUBV-UHFFFAOYSA-N
-rxn:5:178295:226968:227067,COC(=O)C1(c2cc(-c3ccc(OC)cc3C3CC3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,GTGYXLXUVKKJQK-UHFFFAOYSA-N
-rxn:5:178295:226968:228388,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,LFCWPCJICUPVPA-UHFFFAOYSA-N
-rxn:5:178295:226973:228564,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,SVAMJOSOPAEUKR-UHFFFAOYSA-N
-rxn:5:178295:226974:227071,COCc1cc(C)c(-c2ccc(-c3ccc4c(c3)COC4(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,VVLPABKAAPSJAP-UHFFFAOYSA-N
-rxn:5:178295:227018:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2ccc(C(C)(C)C#N)cc2)CCC(=O)CC1,JSACZGMTDHYAKR-UHFFFAOYSA-N
-rxn:5:178295:227024:228146,CCc1cncc(-c2ccc(-c3cccc(C(C)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,ASISAQBPJYKEHD-UHFFFAOYSA-N
-rxn:5:178295:227038:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,JSTNZRXYXJRAGV-UHFFFAOYSA-N
-rxn:5:178295:227045:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FDZKLBKFRKTCHF-UHFFFAOYSA-N
-rxn:5:178295:227046:227309,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,SECGBAHZYLZKFZ-UHFFFAOYSA-N
-rxn:5:178295:227051:226974,CCC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,IGBTYIDMRJJDAG-UHFFFAOYSA-N
-rxn:5:178295:227051:227907,CCC(=O)c1ccc(-c2ccc(-c3cncc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,BAZJHUBVJSVIDG-UHFFFAOYSA-N
-rxn:5:178295:227065:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,BHPTWJLZPGVNAY-UHFFFAOYSA-N
-rxn:5:178295:227065:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UQBBWUGWKGSARE-UHFFFAOYSA-N
-rxn:5:178295:227069:223012,COC(=O)c1cc2cc(-c3ccc(-c4ccc(OC)cc4C(C)C)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2[nH]1,SDIZYKIYVQNSTN-UHFFFAOYSA-N
-rxn:5:178295:227077:228428,CCC(C)c1ccc(-c2ccc(-c3cc(OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NYKLXDYLPWZXHG-UHFFFAOYSA-N
-rxn:5:178295:227079:227963,COC(=O)C1(c2cc(-c3ccnc(C(C)(C)C)c3)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,BBPYQMMFUCJIBY-UHFFFAOYSA-N
-rxn:5:178295:227079:228333,COC(=O)C1(c2cc(-c3c(SC)ccnc3OC)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,XZXIPFWUFHEOLX-UHFFFAOYSA-N
-rxn:5:178295:227119:227071,COCc1cc(C)c(-c2ccc(-c3cc(C4CCCCC4)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,YWZKUAPKAALFKH-UHFFFAOYSA-N
-rxn:5:178295:227206:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,FSQQRPKQOLBBMM-UHFFFAOYSA-N
-rxn:5:178295:227286:227941,COCc1cc(C)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HFEIGQYCMNYZFP-UHFFFAOYSA-N
-rxn:5:178295:227287:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,YIAGEDBUKNNFGN-UHFFFAOYSA-N
-rxn:5:178295:227287:227039,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)cc3)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,VIIMFHKPPLQHPJ-UHFFFAOYSA-N
-rxn:5:178295:227288:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,KATJTSACPSNSHK-UHFFFAOYSA-N
-rxn:5:178295:227288:227810,CCC(C)c1ccc(-c2ccc(-c3ccccc3C(=O)N(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KNXOBPOLWAPKEJ-UHFFFAOYSA-N
-rxn:5:178295:227297:227932,COCc1ccc(C)c(-c2ccc(-c3cc(CN(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HDIGGHQWSUQDEZ-UHFFFAOYSA-N
-rxn:5:178295:227301:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(F)cc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OHEGFMYQTQLQLX-UHFFFAOYSA-N
-rxn:5:178295:227307:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2ccc(C)nc2OC(C)C)CCC(=O)CC1,AFURNBKQWCYPQT-UHFFFAOYSA-N
-rxn:5:178295:227309:228629,CCC(C)c1cc(-c2ccc(-c3ccc(C4CCC4)s3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,ZJUHAIBMOAMOTP-UHFFFAOYSA-N
-rxn:5:178295:227311:226974,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4c(c3)COC4(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VXABNECZVFMMCU-UHFFFAOYSA-N
-rxn:5:178295:227311:228178,CCC(C)c1cc(F)c(-c2ccc(-c3cc(COC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WYDSNIQISQYZNY-UHFFFAOYSA-N
-rxn:5:178295:227311:228181,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(F)cc3COC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,FTFKVOAXLZSHGQ-UHFFFAOYSA-N
-rxn:5:178295:227311:228269,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PXHAZXGVJONNGU-UHFFFAOYSA-N
-rxn:5:178295:227312:225438,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,XTRQSXXNOXMYHA-UHFFFAOYSA-N
-rxn:5:178295:227330:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NVJPBBPTYRUIFZ-UHFFFAOYSA-N
-rxn:5:178295:227339:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C)cc2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,DFPDOIAUKMDKEA-UHFFFAOYSA-N
-rxn:5:178295:227357:227706,CCC(=O)c1cc(-c2ccc(-c3cc(OC)cnc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,GETAOAOZTJHTMN-UHFFFAOYSA-N
-rxn:5:178295:227361:226969,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4=O)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,ZYCMQLBXVRNATP-UHFFFAOYSA-N
-rxn:5:178295:227361:228562,CCC(C)c1csc(-c2ccc(-c3cc(OC)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BUNZNELGTKPCDQ-UHFFFAOYSA-N
-rxn:5:178295:227508:226914,COC(=O)c1cc(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C)n1,BAGSMJBLIQBMQA-UHFFFAOYSA-N
-rxn:5:178295:227540:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,PVINDTQXINAFAY-UHFFFAOYSA-N
-rxn:5:178295:227558:227942,CCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,MEZDMLQUCPANQM-UHFFFAOYSA-N
-rxn:5:178295:227568:227834,COC(=O)C1(c2cc(-c3ccc(C4CC4)c(C)c3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,UIFDPTWFKLXKOA-UHFFFAOYSA-N
-rxn:5:178295:227568:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,VLZKRTBKUOEKJV-UHFFFAOYSA-N
-rxn:5:178295:227575:227989,CC#Cc1ccc(F)c(-c2ccc(-c3c(OC)ccc(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LCCQNJJREACUBR-UHFFFAOYSA-N
-rxn:5:178295:227587:228562,CCC(C)c1csc(-c2ccc(-c3cc(F)c(OC)c(OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SRQWFWQTFNVSPQ-UHFFFAOYSA-N
-rxn:5:178295:227589:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)cc(OC(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FVHNGONRSHLTNN-UHFFFAOYSA-N
-rxn:5:178295:227808:226923,COC(=O)C1(c2cc(-c3cc(C)c(C4CC4)cc3C)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,YHJCNWFKWIOFHX-UHFFFAOYSA-N
-rxn:5:178295:227810:227113,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)c(F)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FXVNYKFNIXMFNU-UHFFFAOYSA-N
-rxn:5:178295:227811:227523,COC(=O)c1cnc(C)cc1-c1ccc(-c2ccc(CC(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SLGAFOIKFQQEGV-UHFFFAOYSA-N
-rxn:5:178295:227817:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,RTZWDIUQLKQPRO-UHFFFAOYSA-N
-rxn:5:178295:227818:228346,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZEVSFSHCEYOHNG-UHFFFAOYSA-N
-rxn:5:178295:227820:227307,COC(=O)C1(c2cc(-c3ccc(C)nc3OC(C)C)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,SNDKMIKXICMRSH-UHFFFAOYSA-N
-rxn:5:178295:227820:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,CGBNXYJFSKGYPA-UHFFFAOYSA-N
-rxn:5:178295:227830:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc(C3(C)CC3)cc2)CCC(=O)CC1,PHOVQJXWPUAQRD-UHFFFAOYSA-N
-rxn:5:178295:227831:227084,CCc1c(C)cc(-c2ccc(-c3ccc(C(C)(C)C)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,JAOPWSXLTUZZLB-UHFFFAOYSA-N
-rxn:5:178295:227833:226064,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,GTCYJIFUERJWSH-UHFFFAOYSA-N
-rxn:5:178295:227839:227312,CCC(C)c1ccc(-c2ccc(-c3c(C)cccc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,GWEFUDZSVPWMTN-UHFFFAOYSA-N
-rxn:5:178295:228003:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3c(C)cc(SC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HTYGRAAFYUCNEN-UHFFFAOYSA-N
-rxn:5:178295:228012:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cccc(F)c2C2CC2)CCC(=O)CC1,NMCNJSLYOGSZLP-UHFFFAOYSA-N
-rxn:5:178295:228146:226926,CCc1cncc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,CSLFJLJIINXGII-UHFFFAOYSA-N
-rxn:5:178295:228146:227124,CCc1cncc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,QGOCCVRKMPRFLQ-UHFFFAOYSA-N
-rxn:5:178295:228177:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(F)ccc2COC)c(C2(C(=O)OC)CCC(=O)CC2)c1,AHGRYSMZMRQZLC-UHFFFAOYSA-N
-rxn:5:178295:228177:227052,COCc1ccc(F)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,MWINSMKVCIODNR-UHFFFAOYSA-N
-rxn:5:178295:228178:226059,COCc1ccc(F)c(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RFNBFSGJGVSGRJ-UHFFFAOYSA-N
-rxn:5:178295:228179:227038,COCc1cc(F)cc(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XAWWRQVRMCVADZ-UHFFFAOYSA-N
-rxn:5:178295:228181:226334,COCc1cc(F)ccc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,PVQJGDZMRPXNDH-UHFFFAOYSA-N
-rxn:5:178295:228182:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(CC(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YFFNMMNBONOURB-UHFFFAOYSA-N
-rxn:5:178295:228189:227069,CCSc1ccc(F)c(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WEJNUZLAZFNJIM-UHFFFAOYSA-N
-rxn:5:178295:228220:227023,COC(=O)C1(c2cc(-c3ccc(C(C)N(C)C)cc3)ccc2-c2cc(C(C)C)ncc2F)CCC(=O)CC1,LGFOTFGTTCUYJO-UHFFFAOYSA-N
-rxn:5:178295:228257:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,ROAMBXMVQBWCSX-UHFFFAOYSA-N
-rxn:5:178295:228261:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2c(SC)ccc(F)c2C)CCC(=O)CC1,XNGLICUFSCMFQA-UHFFFAOYSA-N
-rxn:5:178295:228268:223215,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)CC4)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,DUXDBIPKPBQYOY-UHFFFAOYSA-N
-rxn:5:178295:228278:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2cc(F)c(C)cc2OC)CCC(=O)CC1,RAFVTXGMPCKBOG-UHFFFAOYSA-N
-rxn:5:178295:228336:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cnc(OC)c(SC)c2)CCC(=O)CC1,OSEKUSPLPQCSFD-UHFFFAOYSA-N
-rxn:5:178295:228387:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cn(C)c(=O)cc2OC)CCC(=O)CC1,NIRFXTRILFZVDC-UHFFFAOYSA-N
-rxn:5:178295:228393:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(F)cc(F)c2OC)CCC(=O)CC1,XNQOIVVQOQVQSG-UHFFFAOYSA-N
-rxn:5:178295:228416:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2c(F)cc(F)cc2OC)CCC(=O)CC1,DDEVVKKKQPFYCZ-UHFFFAOYSA-N
-rxn:5:178295:228428:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(OC)cc(F)c2F)CCC(=O)CC1,QPEAHBMXABTQOJ-UHFFFAOYSA-N
-rxn:5:178295:228467:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)OC)sc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,XSFLIUMMYBKJSI-UHFFFAOYSA-N
-rxn:5:178295:228505:226154,CCCc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,YIBNHEANDRIOBT-UHFFFAOYSA-N
-rxn:5:178295:228512:225515,CC#Cc1cccc(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DUQQLHHDCSJVMW-UHFFFAOYSA-N
-rxn:5:178295:228551:226350,CCCc1ncccc1-c1ccc(-c2ccc(C)c(C(=O)OC)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,IMCMTRKBJAPTSA-UHFFFAOYSA-N
-rxn:5:178295:228562:223018,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JKHOWLCRJDTIRF-UHFFFAOYSA-N
-rxn:5:178295:228564:226069,CCC(C)c1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,QCKQANSZQSWARO-UHFFFAOYSA-N
-rxn:5:178295:228564:227408,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCC4)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,YCILRTITVYXUNU-UHFFFAOYSA-N
-rxn:5:178295:228567:223229,CCC(C)c1sccc1-c1ccc(-c2cc(NC(C)=O)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,PAYQXRGWCGDGTN-UHFFFAOYSA-N
-rxn:5:178295:228595:225507,CCc1ncc(C)cc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,KITOPZJTWGGJIJ-UHFFFAOYSA-N
-rxn:5:178295:228637:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(C)c(F)cc2C)CCC(=O)CC1,ZGFLXVUDHBMMBQ-UHFFFAOYSA-N
-rxn:5:178295:228800:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(F)ccc2SC)CCC(=O)CC1,CTTFSNYYWWOVSM-UHFFFAOYSA-N
-rxn:5:178295:229169:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2cscc2C(F)F)CCC(=O)CC1,RUZBRBDGRNCZLN-UHFFFAOYSA-N
-rxn:5:178314:225871:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1O[Si](C)(C)C(C)(C)C,FFTYBUGAMZAELK-UHFFFAOYSA-N
-rxn:5:178353:226425:226364,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4C)s3)cc2C)ccc1-c1ccc(N2CCCCC2)nc1,SESMKCYYRNLMHA-UHFFFAOYSA-N
-rxn:5:178353:226428:226371,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCC4)cc3C)c(C)c2)c(C)cc1-c1cc(N2CCCCC2C)cs1,VAUUCNTYAAFOGW-UHFFFAOYSA-N
-rxn:5:178353:226429:226366,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCC(C)C4)s3)cc2C)ccc1-c1ccnc(N2CCCCC2)c1,FIHYPFLTLOQWQO-UHFFFAOYSA-N
-rxn:5:178368:225633:227387,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,JIEIKPHQPFSFQX-UHFFFAOYSA-N
-rxn:5:178368:226181:226181,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4=CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)nc1,PXGFRPQBXNVARL-UHFFFAOYSA-N
-rxn:5:178368:226364:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,YVHJKDBUCHXHHY-UHFFFAOYSA-N
-rxn:5:178368:226366:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,DDCVCZOSVKGFDW-UHFFFAOYSA-N
-rxn:5:178368:226366:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,LSGABZAYZMZDPR-UHFFFAOYSA-N
-rxn:5:178368:226411:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCOCC2)cc1,AWGNKYXWZOBALE-UHFFFAOYSA-N
-rxn:5:178368:226411:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCOCC2)cc1,SZZUATSGPWRDPM-UHFFFAOYSA-N
-rxn:5:178368:226412:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1cc(F)cc(N2CCCC2)c1,AUCHMEOQGMRGLJ-UHFFFAOYSA-N
-rxn:5:178368:226414:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2=NCCCO2)cc1,BVHXHWDDRICFMW-UHFFFAOYSA-N
-rxn:5:178368:226422:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1cc(F)ccc1N1CCCC1,DSXBNFBXSUJHGZ-UHFFFAOYSA-N
-rxn:5:178368:226425:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2C)s1,JNTNVGZCZDCSRF-UHFFFAOYSA-N
-rxn:5:178368:226431:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCC2)c(F)c1,YJLBLQKTDUXHAM-UHFFFAOYSA-N
-rxn:5:178368:226432:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2CCCC2)nc1F,XLPNHZZJIHOBBW-UHFFFAOYSA-N
-rxn:5:178368:226437:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1cc(C2CCCC2)ncc1F,CEJZEEPZLPWPGO-UHFFFAOYSA-N
-rxn:5:178368:227387:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccnc(N2CCCC2)c1,XPFVFHDLORFSGJ-UHFFFAOYSA-N
-rxn:5:178466:225834:225633,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,IPSNMBCKLUQAIN-UHFFFAOYSA-N
-rxn:5:178466:225873:223061,CC(C)OC(=O)c1sc2cc(-c3cccc(N4CCOCC4=O)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,WSNDMURTISVIBJ-UHFFFAOYSA-N
-rxn:5:178466:225980:225834,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,YLIMGKSCAIKTJL-UHFFFAOYSA-N
-rxn:5:178467:223064:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,NFQPPEZMEZOSFG-UHFFFAOYSA-N
-rxn:5:178467:223138:227065,CCOC(=O)C1=Cc2cc(-c3cccc(C(=O)C(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,VCSSCVNKDMSASU-UHFFFAOYSA-N
-rxn:5:178467:223141:227666,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c(F)c3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,UPKIKFMPGZASJM-UHFFFAOYSA-N
-rxn:5:178467:223202:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,HWLVMKRBOZILDV-UHFFFAOYSA-N
-rxn:5:178467:223294:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,VFYJMHCIOCNKFB-UHFFFAOYSA-N
-rxn:5:178467:225631:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,MJXGCKSFBBBKNO-UHFFFAOYSA-N
-rxn:5:178467:225633:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccc(N4CCCCCC4)nc3)c2OC1,NBBNUKURMOTPTL-UHFFFAOYSA-N
-rxn:5:178467:225834:227657,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)s3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,ICKHLHKWXVSMGN-UHFFFAOYSA-N
-rxn:5:178467:225978:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,GPWRAANZUJKZJF-UHFFFAOYSA-N
-rxn:5:178467:225980:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,SRCOUIUEMRMZOF-UHFFFAOYSA-N
-rxn:5:178467:225980:227968,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCC3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,LJYCPLAUTCCVBN-UHFFFAOYSA-N
-rxn:5:178467:226366:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,CFZVIYKGZDTTTI-UHFFFAOYSA-N
-rxn:5:178467:226374:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncnc3C3CCCCC3)c2OC1,YCWDAEUOGUDCOY-UHFFFAOYSA-N
-rxn:5:178467:226794:226579,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C(=O)N(C)C)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,KWHLMXGVNGGWBL-UHFFFAOYSA-N
-rxn:5:178467:227371:225498,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3ccc(C)c(OC)c3OC)c2OC1,CKFRYRYAEVJMLZ-UHFFFAOYSA-N
-rxn:5:178467:227546:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cccc(C(=O)OC)c3F)c2OC1,MMNNAUBDPVOHBZ-UHFFFAOYSA-N
-rxn:5:178467:227911:222991,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC(O)C4)cc3)cc(-c3ccc(CC)c(C#N)c3)c2OC1,VUBDKQKWBBAGPI-UHFFFAOYSA-N
-rxn:5:178467:228339:222989,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccncc3C(=O)OC)c2OC1,BEGIDOGOQPHVGW-UHFFFAOYSA-N
-rxn:5:178467:228692:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(CN(C)C)s3)c2OC1,GUBLFSYRXBAAFJ-UHFFFAOYSA-N
-rxn:5:179418:225637:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCOCC1,IXBDVTKFRKVVSU-UHFFFAOYSA-N
-rxn:5:179418:225805:225617,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3CCCCO3)cc2)s1)N1CCOCC1,WQHQXFVEJXOCIG-UHFFFAOYSA-N
-rxn:5:179629:225978:225926,COc1ccc(-c2ccc(N3CCOCC3)nc2F)c(S(C)(=O)=O)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,REMWAYHJANOADQ-UHFFFAOYSA-N
-rxn:5:179629:225980:225987,COc1ccc(-c2cc(N3CCOCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,IIEKWRKRURJDIP-UHFFFAOYSA-N
-rxn:5:180022:223147:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccc(C3CNCCO3)cc2)c1C1OCCO1,HAIOKYLDGWROIS-UHFFFAOYSA-N
-rxn:5:180203:227710:225805,CC(c1ccc(-c2cc(OC3CCOCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,WSUXXQZYRBZBEC-UHFFFAOYSA-N
-rxn:5:180402:222405:227023,CC(c1ccc(-c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2C(=O)C2CCCCC2)cc1)N(C)C,KVISHAOAARFIAA-UHFFFAOYSA-N
-rxn:5:180422:226062:225633,CC(C)c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(N3CCCCCC3)nc2)cc(C(C)C)c1,JCDUVHAWZYMGNO-UHFFFAOYSA-N
-rxn:5:180602:223056:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2O1,CORDLVMUAJLYBD-UHFFFAOYSA-N
-rxn:5:180602:223138:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2O1,JMRUVXKLLDMPHF-UHFFFAOYSA-N
-rxn:5:180662:222409:223135,COC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,IBHMOPRCJSNRSJ-UHFFFAOYSA-N
-rxn:5:180662:222409:227386,COC(=O)C1=Cc2cc(-c3cnn(C4CCCCC4)c3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,QNRWVDYDTUTJKG-UHFFFAOYSA-N
-rxn:5:180662:222957:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C)cc(C4CCCNC4)c3)c2OC1,FMEFXNJJMHKMPN-PKNBQFBNSA-N
-rxn:5:180662:223000:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VMWGJEPVYYXKLL-UHFFFAOYSA-N
-rxn:5:180662:223064:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,XMEWPPDVBAOCEM-UHFFFAOYSA-N
-rxn:5:180662:223134:226854,COC(=O)C1=Cc2cc(-c3c(F)ccc(OC)c3[N+](=O)[O-])cc(-c3cnccc3C3CCCNC3)c2OC1,NGQRLFLEOXWQTQ-UHFFFAOYSA-N
-rxn:5:180662:223135:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cccnc3C3CCCNC3)c2OC1,FREXHCXAGGTYND-UHFFFAOYSA-N
-rxn:5:180662:223138:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,OZFOBQMUCJPZSH-UHFFFAOYSA-N
-rxn:5:180662:223146:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3cccc(C4CNCCO4)c3)c2OC1,VYVGGPDHNAEDLF-UHFFFAOYSA-N
-rxn:5:180662:225798:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(OC4CCOCC4)nc3)c2OC1,HOFJLPYEGXNPMI-UHFFFAOYSA-N
-rxn:5:180662:225976:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,MJVQXSWBOOZYGQ-UHFFFAOYSA-N
-rxn:5:180662:227710:225794,COC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,GYWAYXUNVYCCJX-UHFFFAOYSA-N
-rxn:5:181906:225832:227611,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnn1C1CCCCO1,UNHIDQFCSDZBJH-UHFFFAOYSA-N
-rxn:5:181907:225832:223135,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cccnc2C2CCCNC2)c(C2OCCO2)c1,JJKRJPCIMMRMJQ-UHFFFAOYSA-N
-rxn:5:182009:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)c(C2CCOCC2)c1,HNVRZGIXFYCFHK-UHFFFAOYSA-N
-rxn:5:182012:223056:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1C1CCCOC1,GSUQZFAASZUWTH-UHFFFAOYSA-N
-rxn:5:183189:225407:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3ccc(C4CCCCCC4)cc3)c1)OC(C)(C)OC2,ZXWPSHHLAQADRJ-UHFFFAOYSA-N
-rxn:5:183190:223018:223018,CC1(C)Cc2c(cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)C1=O,KKQBWWADZAYDLB-UHFFFAOYSA-N
-rxn:5:188597:225585:225613,CCOc1ccc(-c2ccccc2CN2CCOCC2)c([N+](=O)[O-])c1-c1ccnc(OC2CCCCC2)c1,MAXPQOAPCXZLAX-UHFFFAOYSA-N
-rxn:5:188867:222996:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(F)cc1C1CCCNC1,DJORIYXFRDFOLQ-UHFFFAOYSA-N
-rxn:5:188868:225976:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCOCC2)c1F,XDFNWAGBPIIRIJ-UHFFFAOYSA-N
-rxn:5:188868:225982:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(N2CCOCC2)cc1F,XQWPABDTCOFPQE-UHFFFAOYSA-N
-rxn:5:188868:225982:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(N2CCOCC2)cc1F,YZAFXVYCQMJBHB-UHFFFAOYSA-N
-rxn:5:188932:225613:226572,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)c1,HTUUESXSLSSVBQ-UHFFFAOYSA-N
-rxn:5:188932:225613:227300,COC(=O)c1cc(-c2cncc(OC3CCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)c1,XMHGHNWEJKOYLN-UHFFFAOYSA-N
-rxn:5:188932:226139:227386,COC(=O)c1cc(-c2cnn(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,KXERXOJOXYMLOS-UHFFFAOYSA-N
-rxn:5:188932:226338:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCC3)c2)c1,BFIBCKZBAGDLAC-UHFFFAOYSA-N
-rxn:5:188932:226572:226180,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)c1,TZMLMAWTBBUELI-UHFFFAOYSA-N
-rxn:5:188932:226572:226586,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCOC3)c2)c1,RGDYMHSZOULUQN-UHFFFAOYSA-N
-rxn:5:188932:227295:225597,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCC3)c2)c1,FIUCYXMDZWZORD-UHFFFAOYSA-N
-rxn:5:188932:227377:225452,COC(=O)c1cc(-c2ccc(OC3C=CCCC3)cc2)c(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)c1,NPDQJPIJTRKACD-UHFFFAOYSA-N
-rxn:5:188932:227491:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)c1,HHCOINVXNQNSEU-UHFFFAOYSA-N
-rxn:5:189079:226661:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,YJOPNPIEGCZZEK-UHFFFAOYSA-N
-rxn:5:189079:226661:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NTPGHBWMMNSEKP-UHFFFAOYSA-N
-rxn:5:189079:226662:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,NWUFLYQLHPLOLC-UHFFFAOYSA-N
-rxn:5:189207:226664:228306,CC(C)Sc1ncc(-c2ccc(-c3cc(N4CCCC4)ncc3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,HKHUGEJHOBCVSK-UHFFFAOYSA-N
-rxn:5:189207:227354:225453,CC(C)Oc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1F,LTSIAOPYOYBNSD-UHFFFAOYSA-N
-rxn:5:189208:223199:222415,NS(=O)(=O)c1cc(-c2cc(-c3cccc(C4CCNC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,FEADEVQAXCPDAE-UHFFFAOYSA-N
-rxn:5:189208:226068:226926,Cc1cc(C(C)(C)C)ccc1-c1cc(-c2c(C)cc(C(C)(C)C)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,USGIQIUKXDHVRG-UHFFFAOYSA-N
-rxn:5:189209:225602:228701,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CC5)nc4)c3)c2)CCC1,DPEJJRADCUEPMA-UHFFFAOYSA-N
-rxn:5:189209:228201:226331,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CCC5)nc4)c3)c(F)c2)CC1,GSANKBCFDLXOPD-UHFFFAOYSA-N
-rxn:5:189209:228679:226320,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnn(CC5CC5)c4)c3)c2)CC1,NLVFZOSDIUBBMQ-UHFFFAOYSA-N
-rxn:5:189210:223133:227072,COc1cc(C2CC2)ccc1-c1cccc(-c2ccccc2N2CCNCC2)c1C(=O)ON1C(=O)CCC1=O,VLFLUDYGFRXEFA-UHFFFAOYSA-N
-rxn:5:189212:228306:223131,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2)cn1,NVXNKFAOFXHYHV-UHFFFAOYSA-N
-rxn:5:189212:228306:226422,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)ccc2N2CCCC2)cn1,DVLPUCPXDYQSHN-UHFFFAOYSA-N
-rxn:5:189212:228306:226679,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,LUMFCGBNQFUDLP-UHFFFAOYSA-N
-rxn:5:189212:228708:225602,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cncnc3C3CC3)c2)CCC1,PIFAEDPCZXOADP-UHFFFAOYSA-N
-rxn:5:189319:226058:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C(=O)OC(C)(C)C)n2)cc1C,NHVHTENKAMJPAG-UHFFFAOYSA-N
-rxn:5:189337:226338:225815,COc1c(-c2ccnc(OC3CCCC3)c2)cc(C(=O)N(C)C)cc1-c1ccc(C2CC2)cc1C(F)(F)F,XELAGYXFDLNLHE-UHFFFAOYSA-N
-rxn:5:189449:225598:228140,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2cccc(CN3CCSCC3)c2)C1,NAQBUPGKHBEOCI-UHFFFAOYSA-N
-rxn:5:189665:223004:227738,Cc1cnc(C(F)(F)F)cc1-c1cc(-c2ccc(C3CCNCC3)c(F)c2)cnc1OCC1CCOCC1,TUQFNEQUSVMWQX-UHFFFAOYSA-N
-rxn:5:189665:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,QUMBNUNYCDQABF-UHFFFAOYSA-N
-rxn:5:189667:222404:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc(C3NC(=O)NC3=O)cc2)c1,FLNDTJVHBGYKDH-ORAPIJBQSA-N
-rxn:5:189671:225809:227592,COc1cc(F)cc(-c2cccc(-c3cc(F)ccc3OC3CCOC3)c2/C=N/S(=O)C(C)(C)C)c1OC,RKMUDSVUABFCCK-KPGMTVGESA-N
-rxn:5:189826:226438:227199,CN1C(=O)Cc2ccc(-c3ccc(CC(=O)N4CCOCC4)c(-c4cnc(C5CCCC5)cc4F)c3)cc21,YJQNOZCPLUBWQI-UHFFFAOYSA-N
-rxn:5:189827:225946:226869,CC(=O)c1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cc(F)cc(OC(F)(F)F)c2)cc(C(F)(F)F)c1,DIKUTRWKDQUDCY-UHFFFAOYSA-N
-rxn:5:189827:227085:226736,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1ccc(C2CCCC2)nc1,ALIYNVXZVLNWGA-UHFFFAOYSA-N
-rxn:5:189909:225849:226395,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cncc(N3CCCCC3)c2)cc1CCN1CCOCC1,WMFMUANOSFTICA-UHFFFAOYSA-N
-rxn:5:189952:223113:227684,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2OCCO2)c1,RTZQYUOXMSLXQC-UHFFFAOYSA-N
-rxn:5:190000:226319:226062,CC(C)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C(=O)N4CCC4)cc3)c2)cc(C(C)C)c1,XUWRBICAAJTNQW-UHFFFAOYSA-N
-rxn:5:190001:225986:227387,O=C(Cc1ccc(-c2ccnc(N3CCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCCCC1,WNSRHUUDCPXNJV-UHFFFAOYSA-N
-rxn:5:190001:226346:223281,Cc1cc(OC(C)C)c(F)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3(O)COC3)nc2)c1,HAUUKKLQAIFKIJ-UHFFFAOYSA-N
-rxn:5:190127:223388:225833,COC1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)O)cc3)ccc2-c2ccnc(N3CCCCC3)c2F)CC1,SOOGOFMUBLFGDC-UHFFFAOYSA-N
-rxn:5:190128:225849:227662,COC1CCN(C(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)c(-c3ccc(C)cc3C(F)(F)F)c2)CC1,QYGKOCFERUOHAW-UHFFFAOYSA-N
-rxn:5:190131:223388:225872,COc1c(-c2ccc(S(=O)(=O)O)cc2)cc(C(=O)N2CCCCC2)cc1-c1cc(F)c(F)c(N2CCCC2)c1,JANHUTAGLHVBRN-UHFFFAOYSA-N
-rxn:5:190131:225926:227376,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,ZMPRMORRNTXBIJ-UHFFFAOYSA-N
-rxn:5:190131:228481:227612,COc1c(-c2ccnc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)cc1-c1cnn(C2CCCCO2)c1,DDZSDYOLWWOOMY-UHFFFAOYSA-N
-rxn:5:190194:223388:225849,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2cnc(N3CCCCC3)cc2F)CC1,ILQOGRFHSWQTRD-UHFFFAOYSA-N
-rxn:5:190194:223388:225870,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2cc(F)cc(N3CCOCC3)c2)CC1,SBOPLVNQLODIOY-UHFFFAOYSA-N
-rxn:5:190194:228148:225407,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCCC3)cc2)c1OC,AZABGMVBUQHQIZ-UHFFFAOYSA-N
-rxn:5:190195:223113:225978,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCOCC3)nc2F)c1)C1CCOCC1,IMVGVVDZOGDJRL-UHFFFAOYSA-N
-rxn:5:190195:225976:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,CVXSJMFBBDBXDS-UHFFFAOYSA-N
-rxn:5:190196:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1CN(C)C1CCOCC1,QKVSWARSGYFGFS-UHFFFAOYSA-N
-rxn:5:190196:226364:223113,CN(Cc1ccc(-c2ccc(N3CCCCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,JQGFYHNFDOSFHQ-UHFFFAOYSA-N
-rxn:5:190201:222417:225784,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(CN3CCOCC3)nc2)CCO1,LEQKLQPPCPTOJE-UHFFFAOYSA-N
-rxn:5:190201:225886:225988,CC1CN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CCO1,KBAWNNFSMCYQHR-UHFFFAOYSA-N
-rxn:5:190201:226049:223421,CNC(C)c1ccc(-c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2CCN2CCOC(C)C2)s1,MOANCTCTSXHNAS-UHFFFAOYSA-N
-rxn:5:190265:223286:227048,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(=O)C(C)C)cc3)c(-c3cccc(NS(C)(=O)=O)c3)c2)C1,WNXRPSKSBMOGGK-UHFFFAOYSA-N
-rxn:5:190265:225985:227376,CC1CCCN(C(=O)Cc2ccc(-c3cncc(N4CCCC4)c3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)C1,YZYHFFGICIRKHH-UHFFFAOYSA-N
-rxn:5:190299:225872:228122,CCOc1nc(C)ccc1-c1ccc(N2C(=O)SC(=Cc3cc(-c4cc(F)c(F)c(N5CCCC5)c4)ccc3OC)C2=O)cc1,XBZFCDALVSNHER-UHFFFAOYSA-N
-rxn:5:190307:223388:225870,CC1CCN(CCc2cc(-c3ccc(S(=O)(=O)O)cc3)ccc2-c2cc(F)cc(N3CCOCC3)c2)CC1,OFFMARANLACHKQ-UHFFFAOYSA-N
-rxn:5:190459:226215:226150,CO/N=C1\CCc2cc(-c3ccccc3C(=O)N3CCSC(c4ccccc4-c4cccc(SC5CCCC5)c4)CC3)ccc21,ZIKLUBHJKNWLQZ-UKRDSVFVSA-N
-rxn:5:190484:226926:227971,Cc1cc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C(C)(C)C)S(=O)(=O)CC2)c1,IGRJHABFOSRBCZ-UHFFFAOYSA-N
-rxn:5:190484:227322:227314,COc1c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(CC(C)C)nc4F)S(=O)(=O)CC3)c2)cncc1C(C)C,UXZIGOGGVLMWAS-UHFFFAOYSA-N
-rxn:5:190484:227821:227313,CCc1c(C)cc(C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)CC)ncc3F)S(=O)(=O)CC2)c1,ZOBVNKWMWCNGRE-UHFFFAOYSA-N
-rxn:5:190584:225982:225607,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(-c3cnc(N4CCOCC4)cc3F)cc2[nH]1,OCVFPFJPDVGBSP-UHFFFAOYSA-N
-rxn:5:190585:225607:225833,CCOC(=O)c1[nH]c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,GLEFGWFGAGJUIN-UHFFFAOYSA-N
-rxn:5:190585:225607:225849,CCOC(=O)c1[nH]c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,MUWAEXLOHOMWTJ-UHFFFAOYSA-N
-rxn:5:190647:225833:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)nc2cc(-c3ccnc(N4CCCCC4)c3F)ccc12,ANWYLTVKMGBULG-UHFFFAOYSA-N
-rxn:5:190647:225849:225607,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc2cc(-c3cnc(N4CCCCC4)cc3F)ccc12,VRVRBUNBAUJFHJ-UHFFFAOYSA-N
-rxn:5:190711:223065:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2n1C,RBFQQPZIPXFYPL-UHFFFAOYSA-N
-rxn:5:190740:223007:225794,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)cc(C4CCNCC4)c3)cc2c1-c1cnc(OC2CCCCC2)nc1,YUIMHMFWDPLTDT-UHFFFAOYSA-N
-rxn:5:190740:223064:225613,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,VOQPMNJPRIAXIM-UHFFFAOYSA-N
-rxn:5:190740:223064:225803,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(OC2CCOCC2)c1,UVTYQVCTRDGNGZ-UHFFFAOYSA-N
-rxn:5:190740:223064:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,CDUOJIHAIBMVPH-UHFFFAOYSA-N
-rxn:5:190740:223065:225597,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(OC2CCCCC2)nc1,YPUKHBPGJMKCSR-UHFFFAOYSA-N
-rxn:5:190740:223065:225600,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cccnc1OC1CCCCC1,DHBMFPWJNSFVNL-UHFFFAOYSA-N
-rxn:5:190740:223065:225613,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,KAJGTOFGLMUJOF-UHFFFAOYSA-N
-rxn:5:190740:223065:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,RTHAJDVJIPESLF-UHFFFAOYSA-N
-rxn:5:190740:223065:225639,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cccnc1N1CCC(C)CC1,UDTJHGAGNLHIBV-UHFFFAOYSA-N
-rxn:5:190740:225806:225639,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCC4)cc3F)cc2c1-c1cccnc1N1CCC(C)CC1,ZUOWNSBLVBWUBP-UHFFFAOYSA-N
-rxn:5:190740:225834:225589,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(CN2CCSCC2)cc1,XSQVGCDSSZUQAU-UHFFFAOYSA-N
-rxn:5:190740:225834:225833,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,FNHDBVJDVWNEGA-UHFFFAOYSA-N
-rxn:5:190740:225849:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,JBNDJCJQDDTJHM-UHFFFAOYSA-N
-rxn:5:190740:225849:225589,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(CN2CCSCC2)cc1,BSTFCXJZLAZRNK-UHFFFAOYSA-N
-rxn:5:190740:225849:225598,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cccc(CN2CCSCC2)c1,NXDCIEZUTSSGBF-UHFFFAOYSA-N
-rxn:5:190740:225868:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)c(F)c3)cc2c1-c1cnc(OC2CCCCC2)nc1,KAGGIMAKWQXCSM-UHFFFAOYSA-N
-rxn:5:190740:225976:225655,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,QLJMRZSOUUSBMB-UHFFFAOYSA-N
-rxn:5:190740:225976:225799,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cncc(OC2CCOCC2)c1,JMAUTMGYASPAQP-UHFFFAOYSA-N
-rxn:5:190740:225978:225600,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1cccnc1OC1CCCCC1,FDYWVSQMGJCTGJ-UHFFFAOYSA-N
-rxn:5:190740:225978:225613,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,IIQURQPKKYNJMD-UHFFFAOYSA-N
-rxn:5:190740:225978:225639,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1cccnc1N1CCC(C)CC1,MZNIBZQTKDXHKH-UHFFFAOYSA-N
-rxn:5:190740:225980:225600,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cccnc1OC1CCCCC1,GQGZEMOEINSBGR-UHFFFAOYSA-N
-rxn:5:190740:225980:225613,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccnc(OC2CCCCC2)c1,VJFMXUBGTMEMKT-UHFFFAOYSA-N
-rxn:5:190740:225982:225794,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,KRTBAOBTOHBPJT-UHFFFAOYSA-N
-rxn:5:190741:223002:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,LPNIQJULYUIDPR-UHFFFAOYSA-N
-rxn:5:190741:223056:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,SJYLGFXQMUXOJV-UHFFFAOYSA-N
-rxn:5:190741:223061:225600,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,JXJWQISAFHBIMD-UHFFFAOYSA-N
-rxn:5:190741:223061:225613,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,LNBKQOUPSBOEDA-UHFFFAOYSA-N
-rxn:5:190741:223064:225639,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,ABCHCKKBSUCDSD-UHFFFAOYSA-N
-rxn:5:190741:223064:225794,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,BQIAQPLXYRDZJL-UHFFFAOYSA-N
-rxn:5:190741:223064:226654,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1csc(N2CCC(C)CC2)n1,FJWTWLXTQPKHCR-UHFFFAOYSA-N
-rxn:5:190741:223065:225631,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCN(C)CC2)cc1,AXILLAUUJNMYRP-UHFFFAOYSA-N
-rxn:5:190741:223065:225654,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCCC(C)C2)nc1,PHENIQKRPUDXQD-UHFFFAOYSA-N
-rxn:5:190741:225802:225636,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,DACXOKDFFCPBTJ-UHFFFAOYSA-N
-rxn:5:190741:225833:223064,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,SCJKNOHRUUIUEA-UHFFFAOYSA-N
-rxn:5:190741:225833:226654,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1csc(N2CCC(C)CC2)n1,AGSCHBSAEXKVPZ-UHFFFAOYSA-N
-rxn:5:190741:225976:222981,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(NC2CCCCC2)c1,VVNICNHSLZOUJE-UHFFFAOYSA-N
-rxn:5:190741:225976:225607,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(C(C)N2CCCCC2)s1,ZSJVXQIWCYVTTL-UHFFFAOYSA-N
-rxn:5:190741:225976:225655,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,UOZJMLYGXMLOSI-UHFFFAOYSA-N
-rxn:5:190741:225976:225798,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(OC2CCOCC2)nc1,WZYFUXNNEIVMKQ-UHFFFAOYSA-N
-rxn:5:190741:225978:225794,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,ATRDMNLGWXNCSO-UHFFFAOYSA-N
-rxn:5:190741:225978:225803,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,UTDNWZWURWNOMH-UHFFFAOYSA-N
-rxn:5:190741:225980:225600,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,BCMXVKWCBRTGRV-UHFFFAOYSA-N
-rxn:5:190741:225980:225613,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,LSFHTBDTYCWAJH-UHFFFAOYSA-N
-rxn:5:190741:225982:225803,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,ANJQGKZWPCGPFD-UHFFFAOYSA-N
-rxn:5:190741:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,CZGXKFZLKDGYBJ-UHFFFAOYSA-N
-rxn:5:190741:226662:222998,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1cc(F)cc(C2CCCNC2)c1,OZFQSLZQVAWCQD-UHFFFAOYSA-N
-rxn:5:190742:225881:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(N2CCOCC2)nc1F,HKKDEGCOTJWXKX-UHFFFAOYSA-N
-rxn:5:190742:226654:225595,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(F)c(CN2CCCC2)c1,BSPMLEGWQGRTSL-UHFFFAOYSA-N
-rxn:5:190743:225881:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,HTYARXSXIQTHHK-UHFFFAOYSA-N
-rxn:5:190743:225976:225980,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,UEKHEGPONYEULN-UHFFFAOYSA-N
-rxn:5:190743:226661:225978,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1ccc(N2CCOCC2)nc1F,RVEPLUWSAPCCMG-UHFFFAOYSA-N
-rxn:5:190744:223064:225632,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cccc(N2CCN(C)CC2)c1,GHQJYNNDFXGYNR-UHFFFAOYSA-N
-rxn:5:190744:223064:225833,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,YYNBMEDXIIOTIG-UHFFFAOYSA-N
-rxn:5:190744:223064:225834,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,ASPRDFKDOMULLR-UHFFFAOYSA-N
-rxn:5:190744:225639:223065,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,MLEVUMMAPZPCDU-UHFFFAOYSA-N
-rxn:5:190744:225794:225868,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1ccc(N2CCOCC2)c(F)c1,WLMNLLOLBWAUTG-UHFFFAOYSA-N
-rxn:5:190744:225976:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,HJRXUVUEVKVWEA-UHFFFAOYSA-N
-rxn:5:190744:225976:225976,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,DSHGMNIXGYVGTO-UHFFFAOYSA-N
-rxn:5:190833:226069:229015,CC(C)c1sccc1-c1ccc(-c2cccc(C3CCCCC3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,KAETWSMQJBWWHC-UHFFFAOYSA-N
-rxn:5:190833:226582:228622,CCc1cc(F)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,JQOPNWWLJIYOBN-UHFFFAOYSA-N
-rxn:5:190833:226729:227804,CC(C)(C)OC(=O)N1Cc2c(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])ccc(-c3cnc(OC4CCOC4)nc3)c2C1=O,KZYOWMVWIABLJD-UHFFFAOYSA-N
-rxn:5:190833:226826:228122,CCOc1nc(C)ccc1-c1ccc(-c2cc(C)cc(C(F)(F)F)c2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,IBNYOPMDOSODFO-UHFFFAOYSA-N
-rxn:5:190833:227075:227818,CCC(C)c1cccc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,JKDCLUCAEIBPDE-UHFFFAOYSA-N
-rxn:5:190859:226177:227031,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccnc(C3CCCCC3)c1)c2-c1ccc(C2CC2)cc1C#N,NDHHWZOPPFWOCW-UHFFFAOYSA-N
-rxn:5:190859:226968:227048,CC(C)C(=O)c1ccc(-c2c(-c3ccc4c(c3)OC(C)(C)C4)ccc3c2CCN3C(=O)OC(C)(C)C)cc1,CUWOTQSKGOJZLT-UHFFFAOYSA-N
-rxn:5:190998:227076:226068,CCC(C)c1ccc(F)c(-c2ccc3c(c2)CN(c2ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)c1,WLPFKZHMHDSUPK-UHFFFAOYSA-N
-rxn:5:191026:227810:226917,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cc(C(C)(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1,OHQQPEMLQOAWDL-UHFFFAOYSA-N
-rxn:5:191026:227932:227330,COCc1ccc(C)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(=O)OC)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,BIEGDZNCEBVKLO-UHFFFAOYSA-N
-rxn:5:191049:225849:226679,COc1cc(N2Cc3cc(-c4cnc(N5CCCCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCC2)cc1F,SVBXWYHVSIHPBC-UHFFFAOYSA-N
-rxn:5:191049:227071:227330,COCc1cc(C)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C(=O)OC)cc4C)cc2OC)C(=O)CO3)c(C)c1,HLMZFRSWFROHRI-UHFFFAOYSA-N
-rxn:5:191802:225607:225600,CC(c1ccc(-c2cc(-c3cccnc3OC3CCCCC3)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,FVWPXVGGSBSALJ-UHFFFAOYSA-N
-rxn:5:192236:225454:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(C2=CCN(C)CC2)cc1,JYVDOHBUVRSXRI-UHFFFAOYSA-N
-rxn:5:192236:225597:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1ccc(OC2CCCCC2)nc1,CLPQFULGJNZUMJ-UHFFFAOYSA-N
-rxn:5:193050:223131:225987,O=C(c1cc(-c2ccc(N3CCNCC3)cc2)ccc1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCCC1,NORPKYJMNNCRLE-UHFFFAOYSA-N
-rxn:5:193050:225985:226366,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccnc(N2CCCCC2)c1)N1CCCC1,GTTIBZOYRZJQAP-UHFFFAOYSA-N
-rxn:5:193050:226366:225985,O=C(c1cc(-c2ccnc(N3CCCCC3)c2)ccc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,CLPNHVCWSMQKTJ-UHFFFAOYSA-N
-rxn:5:193050:226414:225985,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)ccc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,UQTKEGZMSXBJDE-UHFFFAOYSA-N
-rxn:5:193052:223294:225985,O=C(c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,DNVLQQGMPFVTFI-UHFFFAOYSA-N
-rxn:5:193053:223056:225985,O=C(c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CCCC1,ZBCAMZOLORXOLS-UHFFFAOYSA-N
-rxn:5:193053:223192:225600,CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cccnc3OC3CCCCC3)c2)ccc1F,WNNQLXRFNNCADD-UHFFFAOYSA-N
-rxn:5:193053:226366:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2ccnc(N3CCCCC3)c2)c1)N1CCCC1,BBMZCNNXTHXLJZ-UHFFFAOYSA-N
-rxn:5:193053:226414:225985,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CCCC1,FPJBGAPEQPWHNQ-UHFFFAOYSA-N
-rxn:5:193054:223173:225849,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cnc(N2CCCCC2)cc1F)N1CCCC1,BBBDLOFJDLFIAW-UHFFFAOYSA-N
-rxn:5:193156:225925:225634,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCCC2)cc(-c2cnc(N3CCCCC3)c(C)c2)c1,COTJQLCWFVCJAS-UHFFFAOYSA-N
-rxn:5:193158:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1cccc(CN2CCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,KKFAJEJQKQZAFM-UHFFFAOYSA-N
-rxn:5:193158:225655:225985,CC1CCN(c2cncc(-c3cccc(CN4CCCC4)c3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,MYBNIOSYBAUUNI-UHFFFAOYSA-N
-rxn:5:193158:225925:225636,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(CN2CCCC2)c1-c1ccnc(N2CCC(C)CC2)c1,UXIDAALEQZBCES-UHFFFAOYSA-N
-rxn:5:193228:225849:227710,CS(=O)(=O)Oc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2)cc1,YGIPOINCSDRZCU-UHFFFAOYSA-N
-rxn:5:193229:223252:225985,O=C(c1cccc(-c2cc(F)c3c(c2)NCCO3)c1-c1cccc(N2CCCS2(=O)=O)c1)N1CCOCC1,ZRSFGRKNDRWDCJ-UHFFFAOYSA-N
-rxn:5:193230:226588:225598,O=C(c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cccc(CN2CCSCC2)c1)N1CCOCC1,AINNFZQYESNAKN-UHFFFAOYSA-N
-rxn:5:193231:223295:225872,CS(=O)(=O)Nc1cncc(-c2ccc(C(=O)N3CCSCC3)c(-c3cc(F)c(F)c(N4CCCC4)c3)c2)c1,LTSRGHAMUNPJMQ-UHFFFAOYSA-N
-rxn:5:193231:227710:225849,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3cnc(N4CCCCC4)cc3F)c2)cc1,CNKNXTKUEVRSHD-UHFFFAOYSA-N
-rxn:5:193331:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c(-c4ccnc(OC5CCOCC5)c4)c3)cc21,ZFEYMZBPRLMNOG-UHFFFAOYSA-N
-rxn:5:193331:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1ccc(CN2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,LLKRHZJEDVWEQL-UHFFFAOYSA-N
-rxn:5:193382:222959:222420,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3S(N)(=O)=O)c2)ccc1C1CCNCC1,PYVNZLLBMGUPLB-UHFFFAOYSA-N
-rxn:5:193382:223058:222956,Cc1ccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,BUWUTZXQOYIRAF-UHFFFAOYSA-N
-rxn:5:193382:223139:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,LYLMJVYMFRLBPO-UHFFFAOYSA-N
-rxn:5:193382:223142:226413,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,RVLOJWORNDORRW-UHFFFAOYSA-N
-rxn:5:193382:223148:222959,Cc1cc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,FYPIOLLXEAZKEW-UHFFFAOYSA-N
-rxn:5:193382:223148:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccccc2C2CNCCO2)ccc1S(=O)(=O)N1CCOCC1,WCIYWLAXGPTXRN-UHFFFAOYSA-N
-rxn:5:193382:223311:225805,CC(c1ccc(-c2cc(-c3cccc(C4CNC4)c3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,CZAZAQQFBSFRNF-UHFFFAOYSA-N
-rxn:5:193382:225868:223241,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,RYCSOYQCZHXUNE-UHFFFAOYSA-N
-rxn:5:193382:225879:222988,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,YDWOMWAIOURPHO-UHFFFAOYSA-N
-rxn:5:193382:225879:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(N3CCOCC3)cc2F)ccc1S(=O)(=O)N1CCOCC1,IHPQNXWUEXWHLK-UHFFFAOYSA-N
-rxn:5:193382:225879:226411,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCOCC2)cc1)N1CCOCC1,QGCMPQKBDYIJBN-UHFFFAOYSA-N
-rxn:5:193382:226446:222956,Cc1ccc(-c2cc(-c3ccc(C4CCOC4)nc3C)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,MMWAMVXMUUCWTF-UHFFFAOYSA-N
-rxn:5:193382:226583:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)c1,CPCNVFXWKYBPIS-UHFFFAOYSA-N
-rxn:5:193382:227437:225978,O=S(=O)(c1ccc(-c2ccnc(C3CCCO3)c2)cc1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,GNKYIAVSHQMZFE-UHFFFAOYSA-N
-rxn:5:193382:227803:226649,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccnc2N2CCOCC2)c1,AJCMNXHEDUPHDR-UHFFFAOYSA-N
-rxn:5:193459:223173:226414,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,DKXWUGNFTWLXLK-UHFFFAOYSA-N
-rxn:5:193459:223203:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2cccc(C3(O)CCC3)c2)c1)N1CCCCC1,YHNJBZLFJCEDCG-UHFFFAOYSA-N
-rxn:5:193459:223242:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2ccnc(C3CCNC3)c2)c1)N1CCCCC1,AWTFTASIBHPEEC-UHFFFAOYSA-N
-rxn:5:193459:226366:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2ccnc(N3CCCCC3)c2)c1)N1CCCCC1,AUVSYCMKAMVLME-UHFFFAOYSA-N
-rxn:5:193459:227205:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2cccc3c2OCCCO3)c1)N1CCCCC1,YAWALRCNKQOLLD-UHFFFAOYSA-N
-rxn:5:193459:227387:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2ccnc(N3CCCC3)c2)c1)N1CCCCC1,DZKBZBZIXFFPAB-UHFFFAOYSA-N
-rxn:5:193460:223173:226679,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cnc(N2CCCC2)cc1F)N1CCCCC1,IEXLYOHNNAGJTC-UHFFFAOYSA-N
-rxn:5:193460:225985:227387,O=C(c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccnc(N2CCCC2)c1)N1CCCCC1,JDEJOWRAYSBBGZ-UHFFFAOYSA-N
-rxn:5:193460:227206:225985,Cc1c(-c2cccc(C(=O)N3CCCCC3)c2-c2cccc(N3CCCS3(=O)=O)c2)ccc2c1COC2=O,HFCUHMSRBUBDEF-UHFFFAOYSA-N
-rxn:5:193461:227296:225985,O=C(c1ccc(-c2ccc(OC3CCC3)nc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCCC1,SBVPPAGJYDGKAY-UHFFFAOYSA-N
-rxn:5:193461:227387:225985,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCCC1,HRLDIQDKVAVOSF-UHFFFAOYSA-N
-rxn:5:193506:222959:223312,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNC4)cc3)c2)ccc1C1CCNCC1,FVTSEXUREIIAML-UHFFFAOYSA-N
-rxn:5:193506:223054:223378,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc4c(c3)NCCO4)c2)s1)N1CCC(O)C1,APFGYPPAYONPDF-UHFFFAOYSA-N
-rxn:5:193506:223065:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccnc(N3CCCC3)c2)CC1,FOXIBBQOOLDRJU-UHFFFAOYSA-N
-rxn:5:193506:223065:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,OKVIWWAMQSDCNE-UHFFFAOYSA-N
-rxn:5:193506:223142:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,CXNAZFOKFADSDG-MHWRWJLKSA-N
-rxn:5:193506:223147:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CNCCO3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,YWSFXPQKCVWNGY-UHFFFAOYSA-N
-rxn:5:193506:223252:225980,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cc(N3CCOCC3)ncc2F)CC1,KNXYXXYENUNKNC-UHFFFAOYSA-N
-rxn:5:193506:225607:227992,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4COC4)cc3)c2)s1)N1CCCCC1,LJWISFBLCNXEKN-UHFFFAOYSA-N
-rxn:5:193506:225833:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc(S(=O)(=O)F)c2)CC1,GHGDWMQXCDJVTB-UHFFFAOYSA-N
-rxn:5:193506:225849:228201,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cnc(C3CCC3)nc2)CC1,RWJNZFHSJJULGD-UHFFFAOYSA-N
-rxn:5:193506:225849:228236,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccnc(F)c2C2CC2)CC1,SPYXKTWCKWIQBG-UHFFFAOYSA-N
-rxn:5:193506:226679:228631,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccsc2C2CCC2)CC1,PXPJGZWZXNKOIJ-UHFFFAOYSA-N
-rxn:5:193506:227082:225982,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCC3)cc2-c2cnc(N3CCOCC3)cc2F)CC1,PKMXWNCFJMBSMV-UHFFFAOYSA-N
-rxn:5:193506:227375:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3)cc2-c2ccnc(N3CCCC3)c2)CC1,HAHZPRAJOUZBOX-UHFFFAOYSA-N
-rxn:5:193506:227379:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccnc(N3CCCC3)c2)CC1,CVELINTXBXXXCQ-UHFFFAOYSA-N
-rxn:5:193506:227387:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,YQXYRNDAPYFFEZ-UHFFFAOYSA-N
-rxn:5:193506:227404:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2c(C3CC3)ccnc2F)CC1,PBYPFSAKCPPUBM-UHFFFAOYSA-N
-rxn:5:193506:228009:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)c(F)c3)cc2-c2ccnc(N3CCCCC3)c2)CC1,LBHFZVLTLAPYDX-UHFFFAOYSA-N
-rxn:5:193506:228210:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2cnc(N3CCCC3)cc2F)CC1,PVBIROUTAHQVTF-UHFFFAOYSA-N
-rxn:5:193506:228210:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2ccnc(N3CCCC3)c2)CC1,CZFVSINZQWDSRR-UHFFFAOYSA-N
-rxn:5:193506:228214:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,ZUAZOXOMIDHIDI-UHFFFAOYSA-N
-rxn:5:193506:228234:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,YVFHZZIJCXDROK-UHFFFAOYSA-N
-rxn:5:193506:228236:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2cc(N3CCCCC3)cs2)CC1,XAHOAPOGQSYKNQ-UHFFFAOYSA-N
-rxn:5:193506:228530:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,CJQHFIUKPYYTOP-UHFFFAOYSA-N
-rxn:5:193506:229013:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2-c2ccnc(N3CCCCC3)c2F)CC1,LPIBFFQLOMKFQQ-UHFFFAOYSA-N
-rxn:5:193598:225784:223062,CC1CN(C(=O)c2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2cnc(C3CCNCC3)cc2F)CCO1,SXFHVHKJFRKCIQ-UHFFFAOYSA-N
-rxn:5:193750:227041:226835,CCOc1cc(C)c(-c2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c(C(=O)N3CCC(C)CC3)c2)cc1C,WUAUHGNRVXSVDY-UHFFFAOYSA-N
-rxn:5:193751:227108:225637,CC1CCCN(C(=O)c2cc(-c3ccccc3N3CCN(C)CC3)ccc2-c2cc(C3CCC3)ccc2F)C1,NIOUBUALXOTTBZ-UHFFFAOYSA-N
-rxn:5:193756:225818:227387,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1ccnc(N2CCCC2)c1,MULPIQSCMNGXMI-UHFFFAOYSA-N
-rxn:5:193756:226843:227702,COC(=O)c1cnc(F)c(-c2cc(-c3ccc(C(=O)C(F)(F)F)nc3)ccc2C(=O)N2CCCCC2C)c1,VGDNAVMGPDJSMY-UHFFFAOYSA-N
-rxn:5:193756:227377:225833,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,NUZJOGJTQNVAOJ-UHFFFAOYSA-N
-rxn:5:193756:227387:225940,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,ZMVBUWLPAMKGCU-UHFFFAOYSA-N
-rxn:5:193756:227512:226747,CCc1ncc(-c2cc(-c3cc(C(=O)OC)ncc3C)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,XEKAUKGPYVEDTI-UHFFFAOYSA-N
-rxn:5:193807:225833:226050,CC1CCN(Cc2cccc(-c3c(F)cc(OC(F)(F)F)cc3F)c2-c2ccnc(N3CCCCC3)c2F)CC1,QUOLQDAJBXVLOO-UHFFFAOYSA-N
-rxn:5:193808:227293:225985,CC1CCN(Cc2cc(-c3cncc(OC(C)(C)C)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,JLDNCSZPUFDPLO-UHFFFAOYSA-N
-rxn:5:193868:223018:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2C(=O)N2CC(C)OC(C)C2)cc1,ZZAZMGXRYHRUDB-UHFFFAOYSA-N
-rxn:5:193868:228693:226343,CCN(C)c1ccc(-c2ccc(-c3ccc(OC4CCOC4)cc3)c(C(=O)N3CC(C)OC(C)C3)c2)s1,AGPQWSCQAAAXFD-UHFFFAOYSA-N
-rxn:5:193869:223148:227505,Cc1cc(-c2ccccc2C2CNCCO2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1,MQIZGNDLGWHOCY-GHRIWEEISA-N
-rxn:5:193869:225634:228625,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cnc(N4CCCCC4)c(C)c3)cc2C)c(F)c1,WYUREVIMLUNINR-UHFFFAOYSA-N
-rxn:5:193869:225636:228883,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1F,DJDYKQZUBOTGOE-UHFFFAOYSA-N
-rxn:5:193869:225655:228883,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1F,WEWLWOVDSQFESM-UHFFFAOYSA-N
-rxn:5:193869:225833:223342,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCCN2,HYNWAIHAJKLLFL-UHFFFAOYSA-N
-rxn:5:193869:225833:228584,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,NBUBDXWGIBOINM-UHFFFAOYSA-N
-rxn:5:193869:225886:226366,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MKFQTOPCOPJIFF-UHFFFAOYSA-N
-rxn:5:193869:226395:228234,Cc1cc(-c2cncc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C2CC2)ccnc1F,RXKUYUGBIOOZGA-UHFFFAOYSA-N
-rxn:5:193869:226414:227964,Cc1cc(-c2ccc(C3=NCCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C2(C)CC2)c1,BNMGJDQPMNKGLY-UHFFFAOYSA-N
-rxn:5:193869:227051:227387,CCC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c(C)c1,HJGDWHDWQDCXQX-UHFFFAOYSA-N
-rxn:5:193869:227379:227387,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,QTLFPYLZFZKBOU-UHFFFAOYSA-N
-rxn:5:193869:227387:226679,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,ANOQFUFOEXLBSR-UHFFFAOYSA-N
-rxn:5:193869:228234:226366,Cc1cc(-c2c(C3CC3)ccnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,XFSZYTHAQPFPIP-UHFFFAOYSA-N
-rxn:5:193869:228516:225633,CCc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,KYKNYNMHXDQJLW-UHFFFAOYSA-N
-rxn:5:193869:228570:225515,Cc1cc(-c2cncc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,HZAKTVYCLKGGRW-UHFFFAOYSA-N
-rxn:5:193869:228578:225515,Cc1cc(-c2ccc(C3CC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,ACWKMAOLLQYHKQ-UHFFFAOYSA-N
-rxn:5:193869:228584:225515,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,MIOXSFYJFDFGGZ-UHFFFAOYSA-N
-rxn:5:193869:228864:225454,CCOc1ncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCC2)cn1,SQRJLNOEKQAIOK-UHFFFAOYSA-N
-rxn:5:193870:225633:228516,CCc1cc(C)cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,FLTNIPLXWSVJNE-UHFFFAOYSA-N
-rxn:5:193870:225636:228516,CCc1cc(C)cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,VATXGHQDBKVVRB-UHFFFAOYSA-N
-rxn:5:193870:226364:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,RQUSUFFZNINVBF-UHFFFAOYSA-N
-rxn:5:193870:226913:227376,CCc1cc(-c2cc(-c3cncc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,IUANVTZMRSCBJO-UHFFFAOYSA-N
-rxn:5:193870:226913:227379,CCc1cc(-c2cc(-c3cccnc3N3CCCC3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,ROEQTBQAMOLEQU-UHFFFAOYSA-N
-rxn:5:193870:226913:227387,CCc1cc(-c2cc(-c3ccnc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,UQRFFENAGUFDDF-UHFFFAOYSA-N
-rxn:5:193870:227207:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1cccc2c1OCCC2=O,XQORQRJURKFTLG-UHFFFAOYSA-N
-rxn:5:193870:227295:225871,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccnc(OC2CCC2)c1,CACFGBNSUNBCNM-UHFFFAOYSA-N
-rxn:5:193870:227376:226913,CCc1cc(-c2cc(-c3cncc(N4CCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,CMONSILCPJADKS-UHFFFAOYSA-N
-rxn:5:193870:227710:226665,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCCOC3)nc2)cc1-c1ccc(OS(C)(=O)=O)cc1,JQNGWTCGKDPDBK-UHFFFAOYSA-N
-rxn:5:193870:228021:226366,CC(=O)c1cc(C)cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,TYQAXWRGCQKNLS-UHFFFAOYSA-N
-rxn:5:193870:228322:226366,CCOc1ncc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1F,SYETYDBPUGWVLB-UHFFFAOYSA-N
-rxn:5:193870:228516:225636,CCc1cc(C)cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,JKZFSSPELPDFRS-UHFFFAOYSA-N
-rxn:5:193870:228709:225633,Cc1cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C#N)n1,AKXRDISVDMCAOA-UHFFFAOYSA-N
-rxn:5:193912:226044:227786,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4cnc(F)c(C(F)(F)F)c4)cc3)C2=O)cc1,XGQQDGORJFALNH-UHFFFAOYSA-N
-rxn:5:193932:225833:223388,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)c(-c3ccnc(N4CCCCC4)c3F)c2)C1,IWMAFLFCIIORNB-UHFFFAOYSA-N
-rxn:5:193972:225634:228976,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C=C2,XPBXSUMPXYHCFM-UHFFFAOYSA-N
-rxn:5:193972:225834:229058,Cc1cc(-c2cc(N3CCCCC3)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,IVXWIZSJNJNKTN-UHFFFAOYSA-N
-rxn:5:193972:226366:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,QYPVOLJLWZMKMG-UHFFFAOYSA-N
-rxn:5:193972:226366:228613,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,IWCWUSVLWFQBSF-UHFFFAOYSA-N
-rxn:5:193972:226366:228625,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)c1,MMWQCQMVUXGWBB-UHFFFAOYSA-N
-rxn:5:193972:226366:228885,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(F)c1,UIVACECVYPYKAJ-UHFFFAOYSA-N
-rxn:5:193972:226414:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=NCCCO4)cc3)cc2C)c1,OYXDOIXPWWIJIV-UHFFFAOYSA-N
-rxn:5:193972:227376:228234,Cc1cc(-c2cncc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C2CC2)ccnc1F,XRBZIBLHCYCZPN-UHFFFAOYSA-N
-rxn:5:193972:227419:228476,Cc1cc(-c2ccc(C3CCC3)nc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C(F)(F)F,OZVQWLNOPPCGJN-UHFFFAOYSA-N
-rxn:5:193972:228234:227387,Cc1cc(-c2c(C3CC3)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,HASCJUSESFJSFE-UHFFFAOYSA-N
-rxn:5:193972:228516:226364,CCc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,AMTTYWUYUCFLJO-UHFFFAOYSA-N
-rxn:5:193972:228516:226366,CCc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,BAENLKRVOLKLNH-UHFFFAOYSA-N
-rxn:5:193972:228649:226366,Cc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,BYVGWGVRTCVLHQ-UHFFFAOYSA-N
-rxn:5:193972:228709:226181,Cc1cc(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,NKDPSVDGQWELMK-UHFFFAOYSA-N
-rxn:5:193972:228709:226366,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,FIHAHPJJHYWXLH-UHFFFAOYSA-N
-rxn:5:193972:228885:226366,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,QGWUVJVORZRPHS-UHFFFAOYSA-N
-rxn:5:193972:228890:226181,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,PIEBCTGMUIKBDV-UHFFFAOYSA-N
-rxn:5:193972:229055:225833,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,VTVVHVVJZKWADF-UHFFFAOYSA-N
-rxn:5:193972:229067:225454,CCc1ncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,WXRFAJLHOULQJG-UHFFFAOYSA-N
-rxn:5:193972:229225:225454,CCn1cc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,LIGHCLJLWCWKJK-UHFFFAOYSA-N
-rxn:5:194058:225438:223054,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc1)N1CCCC1,PKDUPCLXKZKZCO-UHFFFAOYSA-M
-rxn:5:194058:225438:225607,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc1)N1CCCC1,LIYKCDFXFIFHKM-UHFFFAOYSA-M
-rxn:5:194058:225454:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3=CCN(C)CC3)cc2)s1)N1CCC(O)C1,NESLEBMWTVXWBP-UHFFFAOYSA-M
-rxn:5:194058:225470:225607,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)cc2)CC1,XLZWOJRRMMIRFV-UHFFFAOYSA-M
-rxn:5:194058:225598:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(CN3CCSCC3)c2)s1)N1CCCCC1,UKFWVNLHNGPPPD-UHFFFAOYSA-M
-rxn:5:194058:225607:222983,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(CN3CCC(O)C3)c2)s1)N1CCCCC1,PSMXVCJYVOYELF-UHFFFAOYSA-M
-rxn:5:194058:225607:225436,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCCCC3)cc2)s1)N1CCCCC1,VHZDWHQXUUENKR-UHFFFAOYSA-M
-rxn:5:194058:225607:225437,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(CN3CCCCC3)c2)s1)N1CCCCC1,CBBDWDBOLLZLJC-UHFFFAOYSA-M
-rxn:5:194058:225607:225589,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCSCC3)cc2)s1)N1CCCCC1,VZLIYXNVKBDQPY-UHFFFAOYSA-M
-rxn:5:194058:225607:225590,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCCC3)c(F)c2)s1)N1CCCCC1,LUKDTOXMYJJUKP-UHFFFAOYSA-M
-rxn:5:194058:225607:225594,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)cc2CN2CCCC2)s1)N1CCCCC1,AZOOEBOVYJGLNG-UHFFFAOYSA-M
-rxn:5:194058:225803:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,SBOOKABQGJSFKZ-UHFFFAOYSA-M
-rxn:5:194058:225805:223002,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCOCC1,PLCADYLIDRVTJO-UHFFFAOYSA-M
-rxn:5:194058:225805:223008,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ccc2F)s1)N1CCOCC1,MEFYLFZFOPYUMV-UHFFFAOYSA-M
-rxn:5:194058:226661:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCC(O)C1,XRZTXZVZQCDJOC-UHFFFAOYSA-M
-rxn:5:194522:225985:226366,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccnc(N2CCCCC2)c1,WZIBVYBCUIXLGO-UHFFFAOYSA-N
-rxn:5:194522:226366:225985,CC(C)CN1CCc2c1ccc(-c1ccnc(N3CCCCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,GZMDMRRKXRYKBX-UHFFFAOYSA-N
-rxn:5:194767:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,DOOBMMNDHJGVEY-UHFFFAOYSA-N
-rxn:5:194767:228150:223064,COC(=O)c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1,TXARUPIMAFHDEW-UHFFFAOYSA-N
-rxn:5:194782:225625:228931,COc1nc(F)ccc1-c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,BTPRQZKGUPLWFC-UHFFFAOYSA-N
-rxn:5:194782:228790:225820,O=C1CC2(CCN(C(=O)c3cc(-c4cccc(C(F)F)c4)ccc3-c3c(C4CC4)cccc3C(F)(F)F)CC2)Oc2ccccc21,RUFOTMMAUUWGQU-UHFFFAOYSA-N
-rxn:5:194791:227690:228204,COc1cc([N+](=O)[O-])ccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cc(C)cc(C#N)c4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,GLXLETRGLYDVGA-UHFFFAOYSA-N
-rxn:5:196408:222985:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCNC3)nc2C)c1,JRVCXVNHOBOIAO-UHFFFAOYSA-N
-rxn:5:196408:222985:223062,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1=NOCCO1,TVGZJCHAEMZVMN-UHFFFAOYSA-N
-rxn:5:196533:223183:226046,CNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(c4ccnc(C(F)(F)C(F)(F)F)c4)C3=O)cc2)c(C)c1,XSTYDTMTLAGZLC-UHFFFAOYSA-N
-rxn:5:196667:225832:223058,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCC2)ccnc1-c1cc(F)nc(C2CCCNC2)c1,USUNMQXLYBVENK-UHFFFAOYSA-N
-rxn:5:196794:226644:223061,O=C1COCCN1c1cc(-c2cncc(N3CCOCC3)c2)ccc1-c1cc(C2CCNCC2)ncc1F,RLVYRKPMJQWIQW-UHFFFAOYSA-N
-rxn:5:196858:223063:226652,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(F)nc(C3CCNCC3)c2)n(C2CCCCO2)n1,NURVBBMCIXLGGO-UHFFFAOYSA-N
-rxn:5:196858:226652:223064,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)n(C2CCCCO2)n1,GKLUSUSWUWRQJS-UHFFFAOYSA-N
-rxn:5:196873:223061:223065,Fc1cc(N2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,PEYOTXLXEJEXCC-UHFFFAOYSA-N
-rxn:5:196917:225926:226664,CC1(C)COC(c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,WUNVSQRFQSJAIS-UHFFFAOYSA-N
-rxn:5:196917:225985:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2=NC(C)(C)CO2)c1,YFVDFNSWIZIQRP-UHFFFAOYSA-N
-rxn:5:196918:222988:226146,Cc1cc(-c2cccc(N3CCCCC3=O)c2-c2ccc(SC3CCCC3)cc2)cc(C2CCNCC2)n1,OBXGCWLQTIZIOY-UHFFFAOYSA-N
-rxn:5:196919:225926:226366,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccnc(N3CCCCC3)c2)=N1,UPDMRORLPYMBQW-UHFFFAOYSA-N
-rxn:5:196919:225985:226366,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCCC3)c2)=N1,VTONFDWJADTKJW-UHFFFAOYSA-N
-rxn:5:196919:226366:225926,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,XXHZFXNKBMLQNO-UHFFFAOYSA-N
-rxn:5:196919:226583:223173,CC1(C)COC(c2ccc(-c3ccc(CN4CCOCC4)s3)cc2-c2ccc3c(c2)C(O)CS3(=O)=O)=N1,BMZGYNWLLMKXDU-UHFFFAOYSA-N
-rxn:5:196969:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cc(C2CCCCC2)cs1,HXMUNJYFTUASCE-UHFFFAOYSA-N
-rxn:5:196971:225656:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cncc(N3CCCCC3C)c2)ncc1C1CCCCC1,RNZFYBYOQQVYJB-UHFFFAOYSA-N
-rxn:5:196971:226395:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(N3CCCCC3)c2)ncc1C1CCCCC1,XNUNWDBLWITBGH-UHFFFAOYSA-N
-rxn:5:196978:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1N1CCCCC1,MYMNQNYWHAJTPB-UHFFFAOYSA-N
-rxn:5:197876:225591:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc2c(cc1-c1cc(CN3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UOWMQPAGQHWBLM-UHFFFAOYSA-N
-rxn:5:197876:225881:227908,CC(C)Cc1ncccc1-c1cc2c(cc1-c1ccc(C3CCOCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IZOTXNOMDSOEEF-UHFFFAOYSA-N
-rxn:5:197876:226062:223113,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,NMCZOHRBALJEOI-UHFFFAOYSA-N
-rxn:5:197876:226190:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,BQAOYHAEUQDRKQ-UHFFFAOYSA-N
-rxn:5:197876:226190:227905,CC(C)Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,LVXAPRFDOHKTSH-UHFFFAOYSA-N
-rxn:5:197876:227124:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YDETUABZQOMFHR-UHFFFAOYSA-N
-rxn:5:197876:227314:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZCLOECCJBJCTML-UHFFFAOYSA-N
-rxn:5:197876:227525:227048,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YPIFLICQRFHFET-UHFFFAOYSA-N
-rxn:5:197876:227964:226084,CC1(c2cncc(-c3cc4c(cc3-c3ccc5c(c3)C(=O)CCCC5)C(=O)N(C(C)(C)C)S4(=O)=O)c2)CC1,UHOCLKVSBNWWIN-UHFFFAOYSA-N
-rxn:5:198558:225943:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4ccc(C(=O)N5CCOCC5)s4)ccc32)s1)N1CCOCC1,HEBNTXCOIYHIIP-UHFFFAOYSA-N
-rxn:5:225633:193870:228709,Cc1cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,USCIGWMERPAHMO-UHFFFAOYSA-N
-rxn:5:225636:193972:229097,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,DERNTHKWDACSJX-UHFFFAOYSA-N
-rxn:5:225985:193158:225655,CC1CCN(c2cncc(-c3c(CN4CCCC4)cccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,GZEYXBOLCSCSCW-UHFFFAOYSA-N
-rxn:5:226364:193459:223173,O=C(c1cc(-c2ccc(N3CCCCC3)nc2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,KFKJBKZEXVDMTO-UHFFFAOYSA-N
-rxn:5:226366:193870:228214,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CC3)cc2F)cc1-c1ccnc(N2CCCCC2)c1,VKPPGRTVVGZZMA-UHFFFAOYSA-N
-rxn:5:226366:193972:228625,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)c1,MMWQCQMVUXGWBB-UHFFFAOYSA-N
-rxn:5:226366:193972:228890,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,SUXKYWHZAJBPDP-UHFFFAOYSA-N
-rxn:5:226414:193459:223173,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,DKXWUGNFTWLXLK-UHFFFAOYSA-N
-rxn:5:226913:193870:227375,CCc1cc(-c2cc(-c3ccc(N4CCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,IESMSUODVQHUMG-UHFFFAOYSA-N
-rxn:5:226913:193870:227376,CCc1cc(-c2cc(-c3cncc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,IUANVTZMRSCBJO-UHFFFAOYSA-N
-rxn:5:226913:193870:227387,CCc1cc(-c2cc(-c3ccnc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,UQRFFENAGUFDDF-UHFFFAOYSA-N
-rxn:5:227375:193870:226913,CCc1cc(-c2cc(-c3ccc(N4CCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,YKWWCSGLQSGYSR-UHFFFAOYSA-N
-rxn:5:227376:193869:226913,CCc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCCC4)c3)cc2C)cc(C2CC2)c1,IBJIRGOJGZUNMA-UHFFFAOYSA-N
-rxn:5:227387:193870:226913,CCc1cc(-c2cc(-c3ccnc(N4CCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,QFMATXTWLTZYNS-UHFFFAOYSA-N
-rxn:5:227404:193506:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2c(C3CC3)ccnc2F)CC1,PBYPFSAKCPPUBM-UHFFFAOYSA-N
-rxn:5:227863:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc3c(c2)CCCO3)CCC(=O)CC1,PDOCFGPSAKRTNK-UHFFFAOYSA-N
-rxn:5:227867:178295:227043,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3C)ccc2-c2cccc3c2OCCC3)CCC(=O)CC1,WHNHMDKFYOUPTD-UHFFFAOYSA-N
-rxn:5:227868:193506:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCC4)cc2-c2cnc(N3CCCC3)cc2F)CC1,RTYGNOAVOUHVOA-UHFFFAOYSA-N
-rxn:5:227901:178295:227072,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3OC)ccc2-c2ccc(CC(C)C)nc2)CCC(=O)CC1,IZJHFGQGGGPXJT-UHFFFAOYSA-N
-rxn:5:227903:178295:227079,CCN(C)c1cccc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MRNRTAXYVAICTE-UHFFFAOYSA-N
-rxn:5:227904:178295:227591,CCN(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SQDSABRFUQJXMZ-UHFFFAOYSA-N
-rxn:5:227905:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccnc(CC(C)C)c2)CCC(=O)CC1,HUWAXXLQYQZLQW-UHFFFAOYSA-N
-rxn:5:227906:178295:225499,CCC(C)c1ncccc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HNBXMKYVFOABFH-UHFFFAOYSA-N
-rxn:5:227908:178295:227064,COC(=O)C1(c2cc(-c3ccccc3OC(C)(C)C)ccc2-c2cccnc2CC(C)C)CCC(=O)CC1,ZIXPGBJXHFGPSJ-UHFFFAOYSA-N
-rxn:5:227910:178295:226068,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,UPBRSQUXOPLMKO-UHFFFAOYSA-N
-rxn:5:227910:178295:227337,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,RJQGDBYEVHJYGI-UHFFFAOYSA-N
-rxn:5:227917:178295:226923,CCc1ccc(OC)c(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SZYOGHPORKMSGJ-UHFFFAOYSA-N
-rxn:5:227918:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccc(SC4CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,AKGLAWLGBASZIJ-UHFFFAOYSA-N
-rxn:5:227922:178295:226579,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,SXEZVBRAGRXYNL-UHFFFAOYSA-N
-rxn:5:227923:178295:227051,CCOc1ccc(C)cc1-c1ccc(-c2ccc(C(=O)CC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,RSVWCGWQKPSRHG-UHFFFAOYSA-N
-rxn:5:227939:178295:227087,COC(=O)C1(c2cc(-c3cc(C)cnc3C(C)(C)C)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,ZWHZFOLCFDANSL-UHFFFAOYSA-N
-rxn:5:227941:178295:227315,COCc1cc(C)cc(-c2ccc(-c3cnc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JQVXDQSHTSGTFP-UHFFFAOYSA-N
-rxn:5:227965:178295:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(C)ccnc2C(C)C)CCC(=O)CC1,QRXSXRTVYGHZRA-UHFFFAOYSA-N
-rxn:5:227974:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,QMUUYALLKGDDBT-UHFFFAOYSA-N
-rxn:5:227977:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(C)c(OC)cc2C)CCC(=O)CC1,MIIOOPKGXNYBPE-UHFFFAOYSA-N
-rxn:5:227989:178295:227102,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VPVSPHQMENVKSN-UHFFFAOYSA-N
-rxn:5:228000:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,KENYBASPZOUJQJ-UHFFFAOYSA-N
-rxn:5:228019:193972:227387,CC(=O)c1ccc(C)c(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,GQGUCNHJCAKTPH-UHFFFAOYSA-N
-rxn:5:228021:193869:226366,CC(=O)c1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,WKUCLJKUFYQJMA-UHFFFAOYSA-N
-rxn:5:228236:193506:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2cccc(N3CCNCC3)c2)CC1,VNQJRKPGTIFKDL-UHFFFAOYSA-N
-rxn:5:228625:193870:225634,CCc1ccc(-c2cc(-c3cnc(N4CCCCC4)c(C)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c(F)c1,QLLGSAGUIYZKKW-UHFFFAOYSA-N
-rxn:5:228709:193870:225633,Cc1cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C#N)n1,AKXRDISVDMCAOA-UHFFFAOYSA-N
-rxn:5:228709:193972:226364,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,KTEGBTWFYZIVOZ-UHFFFAOYSA-N
-rxn:5:228709:193972:226366,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,FIHAHPJJHYWXLH-UHFFFAOYSA-N
-rxn:5:228709:193972:226395,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,BLMAVPOIBCNNQL-UHFFFAOYSA-N
-rxn:5:228885:193972:226366,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,QGWUVJVORZRPHS-UHFFFAOYSA-N
-rxn:4:173303:222684,CCOC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,NYOKOYCCWCPYFV-UHFFFAOYSA-N
-rxn:4:173303:223960,CCOC(=O)C(=O)CC(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCN(CC)CC3)c2)cc1,SFDSJYJHUKFPQI-UHFFFAOYSA-N
-rxn:4:173356:223866,COC(=O)C(Cc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1)C(=O)OC,RGAMILMRVMQNLS-UHFFFAOYSA-N
-rxn:4:173508:222854,COc1cc(-c2cc(C3CCCNC3)ccc2OC)ccc1OCCOC1CCCCO1,KVDOGCPDYPDUOS-UHFFFAOYSA-N
-rxn:4:173596:224270,COc1ccc(OC)c(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,LNQAZNISODDBRF-UHFFFAOYSA-N
-rxn:4:173633:222540,CCOC(=O)c1c(C)oc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c(OCc3ccc(F)cc3)cc12,LCFQQHDKVITOHL-UHFFFAOYSA-N
-rxn:4:173636:224272,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)ccc1OC)C2=O,DTCAXOYUEAXZND-UHFFFAOYSA-N
-rxn:4:173700:224612,COc1cc(-c2ccc(OCCN3CCOCC3)cc2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,NIFCPUSONPUTJS-UHFFFAOYSA-N
-rxn:4:173704:222882,COc1cccc2c(-c3cc(F)ccc3C(=O)NC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,GJOUVUDETCUXGU-UHFFFAOYSA-N
-rxn:4:173723:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,BDGUYONTLHYNFE-UHFFFAOYSA-N
-rxn:4:173723:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BHHSZNXSTPRSNS-UHFFFAOYSA-N
-rxn:4:173723:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,WRIJKUKRZJZMKK-UHFFFAOYSA-N
-rxn:4:173723:223767,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc2ccc(C#N)cc21,NBVXRIBBNOXGDM-UHFFFAOYSA-N
-rxn:4:173723:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,WXCVRIZUCVAVLA-UHFFFAOYSA-N
-rxn:4:173802:222584,O=S(=O)(OC(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,BXYPHTMZSZKRRV-UHFFFAOYSA-N
-rxn:4:173802:222701,O=S(=O)(OC(c1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,OKNNAJMRWFCTNH-UHFFFAOYSA-N
-rxn:4:173802:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,HSHHLEMHBFMKIU-UHFFFAOYSA-N
-rxn:4:173802:222783,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,NZDRTQGKWDRHDW-UHFFFAOYSA-N
-rxn:4:173802:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,QNLLCYQEPXEQDU-UHFFFAOYSA-N
-rxn:4:173802:222850,N#Cc1ccc(C2CCNCC2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,HNYXQIXWBJLFJG-UHFFFAOYSA-N
-rxn:4:173802:223030,CC(C)OC(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,SZDFSONMVXKFTM-UHFFFAOYSA-N
-rxn:4:173802:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,CPDVTKVHCVKPAL-UHFFFAOYSA-N
-rxn:4:173802:223052,CC(C)NC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,YULMOGYKRADICA-UHFFFAOYSA-N
-rxn:4:173802:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,HVIOXLMBLLSBQH-UHFFFAOYSA-N
-rxn:4:173802:223490,Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QGHVVKDLGPHQPF-UHFFFAOYSA-N
-rxn:4:173802:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,ZKHVVLNAZIHJAI-UHFFFAOYSA-N
-rxn:4:173802:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)c2)CC1,JHLBTMAVOGIFMQ-UHFFFAOYSA-N
-rxn:4:173802:223647,COc1cc(COc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2Cl)cc(OC)c1,MRSGHZCBYUXQFO-UHFFFAOYSA-N
-rxn:4:173802:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,QEVBILMAUMZOOF-UHFFFAOYSA-N
-rxn:4:173802:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,KCLZIWAVWXRCBM-UHFFFAOYSA-N
-rxn:4:173802:223992,Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BTFRMDKJQNQMNN-UHFFFAOYSA-N
-rxn:4:173802:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,FDXVIKFCGLFFJC-UHFFFAOYSA-N
-rxn:4:173802:224187,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,XHXJVHNCCVSNOI-UHFFFAOYSA-N
-rxn:4:173802:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,OXQKGBNHPZBJQW-UHFFFAOYSA-N
-rxn:4:173802:224337,O=S(=O)(OC(c1ccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,YKDFTHNAJYAHIZ-UHFFFAOYSA-N
-rxn:4:173802:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,JCVJBNRVXQWYPG-UHFFFAOYSA-N
-rxn:4:173802:224483,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,WYNGYUDXYJSBCO-UHFFFAOYSA-N
-rxn:4:173802:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,CLSPUIZTQAMSMA-UHFFFAOYSA-N
-rxn:4:173802:224587,CC1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2F)CC1,NPRZWLMONCKRCO-UHFFFAOYSA-N
-rxn:4:173802:224612,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,PIDMYLHSLBIDMR-UHFFFAOYSA-N
-rxn:4:173802:224667,CN1CCN(Cc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2Cl)CC1,MYYAEZYJMCTCNM-UHFFFAOYSA-N
-rxn:4:173802:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,YZUSEDNQXPEWFM-UHFFFAOYSA-N
-rxn:4:173802:224764,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1)N1CCOCC1,PQSASVWWBDUDEB-UHFFFAOYSA-N
-rxn:4:173802:224811,O=[N+]([O-])c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1N1CCOCC1,OXUOEWPFNFFCBS-UHFFFAOYSA-N
-rxn:4:173802:224937,CCOC(=O)C1(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,BKYZDWVISNFYQL-UHFFFAOYSA-N
-rxn:4:173802:224969,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1C(=O)OC(C)(C)C,SYIDGDRLJVOQMV-UHFFFAOYSA-N
-rxn:4:173802:225290,CC(C)Oc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1,ZIYKIOUYRYPNLE-UHFFFAOYSA-N
-rxn:4:173802:225346,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C,MOYJPSLPAUWSJS-UHFFFAOYSA-N
-rxn:4:173802:225366,CC(F)(F)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,OZFICJUKKGVEPZ-UHFFFAOYSA-N
-rxn:4:173802:225374,COc1cc(OC(F)(F)F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,FQTAINLEEGVADF-UHFFFAOYSA-N
-rxn:4:173802:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,UWRKNTRMVZTVPS-UHFFFAOYSA-N
-rxn:4:173802:225516,CN(C)CCCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,SLWHQKLGHOTSNP-UHFFFAOYSA-N
-rxn:4:173802:225542,CCCCCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1F,ZYUKWWGZHDXRGP-UHFFFAOYSA-N
-rxn:4:173802:225562,CC(C)(C)OCc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,IWTABHQHXHPJFP-UHFFFAOYSA-N
-rxn:4:173802:225595,O=S(=O)(OC(c1ccc(-c2ccc(F)c(CN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,BGVKECZBYOCWAF-UHFFFAOYSA-N
-rxn:4:173802:225620,O=S(=O)(OC(c1ccc(-c2ccc(OC3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,GLLCSLWPINCEEX-UHFFFAOYSA-N
-rxn:4:173802:225625,O=S(=O)(OC(c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1)C(F)(F)F)C(F)(F)F,CADODSPLUHIYNA-UHFFFAOYSA-N
-rxn:4:173802:225640,CC1CCCCN1c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccn1,HIJALUKRFGGDRT-UHFFFAOYSA-N
-rxn:4:173802:225720,CCOC(=O)COc1ccccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,JCFWYMGQKFRKOW-UHFFFAOYSA-N
-rxn:4:173802:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,PJGRDHZUOREMGF-UHFFFAOYSA-N
-rxn:4:173802:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,WASHGTRSGPCPGA-UHFFFAOYSA-N
-rxn:4:173802:225765,CC(C)COc1c(F)ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,YVLWZLMXCFVALP-UHFFFAOYSA-N
-rxn:4:173802:225824,O=S(=O)(OC(c1ccc(-c2cc(C3CC3)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,GDZCKHFLWYRHMW-UHFFFAOYSA-N
-rxn:4:173802:225859,O=S(=O)(OC(c1ccc(-c2cnc(N3CCCCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,KWYQEYHDFPCQQU-UHFFFAOYSA-N
-rxn:4:173802:225988,O=S(=O)(OC(c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1)C(F)(F)F)C(F)(F)F,JLJSBZVKCKOPTP-UHFFFAOYSA-N
-rxn:4:173802:226004,COc1cc(OC(F)(F)F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,ZCAZRQOGCAXQSU-UHFFFAOYSA-N
-rxn:4:173802:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,XUBPMXHEEOXPFT-UHFFFAOYSA-N
-rxn:4:173802:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,VZILXNHGFLXIFA-UHFFFAOYSA-N
-rxn:4:173809:222732,O=C(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1,FQTGIGOTACGMAU-UHFFFAOYSA-N
-rxn:4:173991:222540,CCOC(=O)COc1cc(C)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1F,NWXJOPIUOBFLHJ-UHFFFAOYSA-N
-rxn:4:174014:224306,O=C(COc1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c(C(F)(F)F)c1)C1CC1,BOQXVSQUXWMFCX-UHFFFAOYSA-N
-rxn:4:174148:222612,CCOC(=O)C(C)(C)Oc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1Cl,ZPOXXAHJHLFWLQ-UHFFFAOYSA-N
-rxn:4:174187:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)CCSc4c(F)c(F)c(F)c(F)c4F)cc3)c2)CC1,VUCFVASJJVMOJT-UHFFFAOYSA-N
-rxn:4:174332:223559,COc1ccccc1C(=O)CCc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,JTTKQRPGQNTBEU-UHFFFAOYSA-N
-rxn:4:174406:224847,COC(=O)C1(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)CC(OC)(OC)C1,MHXKSSREPOCJBP-UHFFFAOYSA-N
-rxn:4:174407:222854,COC(=O)C1(c2cccc(-c3cc(C4CCCNC4)ccc3OC)c2)CC(OC)(OC)C1,JBGYZRSPSGOURA-UHFFFAOYSA-N
-rxn:4:174407:225182,COC(=O)C1(c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)CC(OC)(OC)C1,BCXGZYJNTPKWLZ-UHFFFAOYSA-N
-rxn:4:174420:225739,CCCCOc1c(F)cc(-c2ccc(OCC3CCCCC3)cc2OC(F)(F)F)cc1F,GDYRNLLZSRGBEL-UHFFFAOYSA-N
-rxn:4:174518:222834,CCC(CC)NC(=O)c1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)cc1,CKIRQCGVRYMYMX-UHFFFAOYSA-N
-rxn:4:174562:224061,CCCC1CCC(c2ccc(-c3ccc(OCC45CC(C(=O)OC)(C4)C5)c(C)c3)c(F)c2)CC1,ZQGYWVAMILHZOL-UHFFFAOYSA-N
-rxn:4:174573:222679,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(NC(=O)OC(C)(C)C)ccc3OC)c1)C2=O,BICVBXBVOMKSAA-UHFFFAOYSA-N
-rxn:4:174575:222779,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccncc1CNC(=O)OC(C)(C)C)C2=O,SKVIQCVAUYELLV-UHFFFAOYSA-N
-rxn:4:174605:222837,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cccc(CC(=O)NC(C)(C)C)c3)c1)C2=O,GPXIYCKILMKBMF-UHFFFAOYSA-N
-rxn:4:174624:223034,COc1ccc(-c2cncc(C(=O)NC(C)(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,CFEPKJMRQDJFGE-UHFFFAOYSA-N
-rxn:4:174644:224248,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCC(C)CC6)c(Cl)c5)cc4)ccc3C2=O)cc1,WPALULVXVGTLEV-UHFFFAOYSA-N
-rxn:4:174657:224159,COc1ccc(-c2cccc3c2ccn3C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,JOYFBEGQHXASHQ-UHFFFAOYSA-N
-rxn:4:174687:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(OC(F)(F)F)c3C(=O)C(F)(F)F)cc2)CC1,ZEYNQRPMSJJVEZ-UHFFFAOYSA-N
-rxn:4:175095:223638,Cc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OCC(F)(F)C(F)(F)F,NRRILMKHBIXEBK-UHFFFAOYSA-N
-rxn:4:175398:223635,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OCC(C)C,HOFCPYAMISCOKH-UHFFFAOYSA-N
-rxn:4:175414:222545,CCOC(=O)C1OC1(C)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,RMWITWATLNYKBJ-UHFFFAOYSA-N
-rxn:4:175421:223815,COc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1OCC1OCCO1,DJAWFWQHIXIJRW-UHFFFAOYSA-N
-rxn:4:175492:223776,COC(=O)C(c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1)C(C)C,KUUIQTWWLQGCOL-UHFFFAOYSA-N
-rxn:4:176125:223895,CCN1CCN(CCOc2ccc(-c3cccc(OC(=O)C4=C(c5ccccc5)S(=O)(=O)CCO4)c3)cc2)CC1,ZQTICWQSESHUKN-UHFFFAOYSA-N
-rxn:4:176126:222612,O=C(Oc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,CNBJWRDGBSELDJ-UHFFFAOYSA-N
-rxn:4:176126:224612,O=C(Oc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,YGRUAJDOVORNIT-UHFFFAOYSA-N
-rxn:4:176287:224018,O=C1C(=Cc2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21,ALELARVKAKANIZ-UHFFFAOYSA-N
-rxn:4:176614:223490,COC(=O)Cc1cc(F)c(F)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JNPYSWWCADULMU-UHFFFAOYSA-N
-rxn:4:176774:223501,CCOCc1ccc(F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,PLKZCWPMWMXVJJ-UHFFFAOYSA-N
-rxn:4:177684:223696,O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,XERGZJDDKFPELI-UHFFFAOYSA-N
-rxn:4:177981:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(S(=O)(=O)CC2(C)COC2)cc1,URBZTEQHOYTSFQ-UHFFFAOYSA-N
-rxn:4:178094:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1OC1CCCC1,VJFVPYUCUMJOKU-UHFFFAOYSA-N
-rxn:4:178384:226519,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(OC)c1OC,FSYIYQJPXBHQPU-UHFFFAOYSA-N
-rxn:4:178384:227252,CCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1Cl,IHJYIWBORVCGKB-UHFFFAOYSA-N
-rxn:4:178384:228622,CCc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YHTYGTVNPNYAQK-UHFFFAOYSA-N
-rxn:4:178384:228819,Cc1cc(Cl)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,BCUNLICPSGKYSR-UHFFFAOYSA-N
-rxn:4:178478:223559,COC(=O)c1cccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(OC)ccc12,PWJXEUXVGOHZDW-UHFFFAOYSA-N
-rxn:4:178597:225082,Cc1nc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)cc2n1C(C)C,XVYWHRZCYUBPFX-UHFFFAOYSA-N
-rxn:4:178597:229294,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)co1,QNHVORDRMPXAHS-UHFFFAOYSA-N
-rxn:4:180382:223813,CC(C)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)ccc1C1OCCO1,PNECDCYXDPCQCD-UHFFFAOYSA-N
-rxn:4:180387:223728,CCCCCC1CCC(c2ccc(-c3cc(OC)cc(C4CCOCC4)c3)c(F)c2)CC1,WYVQPAZOHCOIMO-UHFFFAOYSA-N
-rxn:4:180422:223712,COc1ccc(-c2ccc(CC3CCCCC3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,XKESIXBGNMMKGY-UHFFFAOYSA-N
-rxn:4:180454:223712,COc1ccc(-c2cc(C)ccc2OC2CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,AXHHLTUNGJUJNY-UHFFFAOYSA-N
-rxn:4:180509:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cc(OC)ccc2C=C2C(=O)OC(C)(C)OC2=O)c1,NWDUIEYUGUDPSN-UHFFFAOYSA-N
-rxn:4:180532:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(F)(F)F)c1,HAENFOMQQJSTDA-UHFFFAOYSA-N
-rxn:4:180611:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)C(=O)C(C(=O)C(F)(F)F)C4)c2)CC1,OEDQEVAIBROACG-UHFFFAOYSA-N
-rxn:4:180644:223559,COC(=O)C1Cc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2C1=O,DTTLSOALYYBXAO-UHFFFAOYSA-N
-rxn:4:180721:222466,COC(=O)C1(C)CCc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc21,FWBSHVIKNDKANQ-UHFFFAOYSA-N
-rxn:4:180792:224022,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2=O,DTAWJTBSPWUKQY-UHFFFAOYSA-N
-rxn:4:180855:222607,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2,CZMUNHGRSNCGTJ-UHFFFAOYSA-N
-rxn:4:180856:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc2C1,IYENTRVRLRFJIS-UHFFFAOYSA-N
-rxn:4:181769:223753,Cc1ccc(-c2cccc(C3=CC(=O)C=CC3=O)c2)cc1OCCCN1CCN(C)CC1,PCHKRCQUSYOGOP-UHFFFAOYSA-N
-rxn:4:181923:223696,CC1(c2c(F)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2F)OCCO1,FGLCDAJKCCDTFH-UHFFFAOYSA-N
-rxn:4:182359:223902,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)cc1C2=O,SLRQLYNHAJZJGL-UHFFFAOYSA-N
-rxn:4:182359:224462,COC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc1C2=O,LWHPFDWFVNRUCL-UHFFFAOYSA-N
-rxn:4:182359:224569,COC1CCC2(CC1)Oc1ccc(-c3cc(F)cc(OCC4CCCCC4)c3)cc1C2=O,TWAGRHLSXGSHNE-UHFFFAOYSA-N
-rxn:4:182375:225748,CC1(C)COCC(C2CC(=O)c3cc(-c4ccncc4OCC4CCCO4)ccc3O2)C1,NVPKAVBYIUZBGL-UHFFFAOYSA-N
-rxn:4:182416:223290,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2-c2nnn[nH]2)cc1,IALQQRQJTQNRLA-UHFFFAOYSA-N
-rxn:4:182971:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2c(F)cc3c(c2F)C(=O)CCO3)CC1,OJRRISUOYHUTEF-UHFFFAOYSA-N
-rxn:4:183261:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(c2)C(=O)C2(CCC(=O)CC2)C3)cc1C(C)(C)C,FOULKISCQLVWFB-UHFFFAOYSA-N
-rxn:4:183271:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2)cc1,PGUJAMNQINNGNV-UHFFFAOYSA-N
-rxn:4:183272:223289,CNS(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,XUANUONPBHYXKX-UHFFFAOYSA-N
-rxn:4:183273:224612,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCCN1CCOCC1,BVIOZBBQXXCTKS-UHFFFAOYSA-N
-rxn:4:183273:226446,Cc1nc(C2CCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HLIOBDJROKOPRW-UHFFFAOYSA-N
-rxn:4:183273:227467,COCCOc1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QEJHRERUBYXUGZ-UHFFFAOYSA-N
-rxn:4:183273:228181,COCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QYEOSEFENCZGBZ-UHFFFAOYSA-N
-rxn:4:183534:224797,CCCCOc1c(F)c(F)c(-c2cc(C#N)c(CC(=O)OCC)cc2C(F)(F)F)c(F)c1F,UYUJXCGUOCTBER-UHFFFAOYSA-N
-rxn:4:183645:226117,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)ccc1OCC(C)C,TXAZFUDBWIAPNZ-UHFFFAOYSA-N
-rxn:4:183731:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)C2)ccn1)C(F)(F)F,NRRPSCXLXDYHTK-UHFFFAOYSA-N
-rxn:4:183743:224589,CCCCOc1cc(-c2ccc(F)cc2CN2CCC(C)CC2)ccc1C(=O)N1CCC1,JIADMHQPAPNULG-UHFFFAOYSA-N
-rxn:4:183751:223508,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c2)SC1=S,AMRVAFMQRYXDMK-UHFFFAOYSA-N
-rxn:4:183765:223118,CCCC(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCC(SCC(=O)OC)C2)c1,ACUYBHIJNJJGBZ-UHFFFAOYSA-N
-rxn:4:183770:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MUBJAORVRISBPH-UHFFFAOYSA-N
-rxn:4:183808:226309,CCOC(=O)c1cc(C)cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,ZDGNONHLJDXRRA-UHFFFAOYSA-N
-rxn:4:183819:225350,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(C(F)(F)F)cc2C(=O)OC)c1,KEIYIEYMNCGAIP-UHFFFAOYSA-N
-rxn:4:183870:224399,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc2)C1,DCSMJVAZYKKBJJ-UHFFFAOYSA-N
-rxn:4:183872:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCCC4)c(OCCOC)c3)cc2)CC1,RFVVTOVFLOYKTR-UHFFFAOYSA-N
-rxn:4:183875:222632,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2Cl)C1,ZJDJREBEPSQTRI-UHFFFAOYSA-N
-rxn:4:183875:222706,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2Cl)C1,UZUIJEIGBUZPNJ-UHFFFAOYSA-N
-rxn:4:183935:224853,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1OC,BQBVQZFQRLIAFZ-UHFFFAOYSA-N
-rxn:4:183941:226844,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,TYRTVLAYPNJCKC-UHFFFAOYSA-N
-rxn:4:183957:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,POBPKIGZVHLTDT-UHFFFAOYSA-N
-rxn:4:183961:224612,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,GOTOGSLNBZGRHA-DEOSSOPVSA-N
-rxn:4:183969:224738,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)c(OC)c2)CC1,ZHZFBSLAFOPEDJ-UHFFFAOYSA-N
-rxn:4:183969:224991,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)c(OC)c2)CC1,ZSYVDFVMDAXCHX-UHFFFAOYSA-N
-rxn:4:184001:223883,COC(=O)C1(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,AFHVGTLGPQWKEF-UHFFFAOYSA-N
-rxn:4:184001:224612,COC(=O)C1(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,NWAYHSAQVLOQDM-UHFFFAOYSA-N
-rxn:4:184003:222819,O=C(Cc1ccc(-c2ccc(NC(=O)N3CCOCC3)nc2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,MTIQVHMQNZIMHX-UHFFFAOYSA-N
-rxn:4:184024:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,REQMESXBCRGMQB-UHFFFAOYSA-N
-rxn:4:184034:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2OC)CC1,BLAYHBZTNBIJSE-UHFFFAOYSA-N
-rxn:4:184043:222803,COc1ccc(CN(C(=O)c2ccccc2-c2ccc(C3CCNC3)c(C(F)(F)F)c2)C2CCS(=O)(=O)C2)cc1,USDMCELUOQUMRK-UHFFFAOYSA-N
-rxn:4:184053:223018,CN(Cc1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,RPUZMFFYWDJCIY-UHFFFAOYSA-N
-rxn:4:184058:224572,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(COCc5ccccc5)C4)cc3)c(C#N)c2)C1,LCQHYEROXJGUIP-UHFFFAOYSA-N
-rxn:4:184062:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cnc(C2CCCN2)nc1,AYTOHIHUGDXMPR-UHFFFAOYSA-N
-rxn:4:184065:223239,CC(C)(C)OC(=O)N(Cc1ccc(-c2cncc(C3CCCN3)c2)cc1)C1CCCCC1,WVCSXTRLCBINOY-UHFFFAOYSA-N
-rxn:4:184096:224612,CC1(C)CCC(N(Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C(=O)OC(C)(C)C)CC1,JVOVQAISTBBGPE-UHFFFAOYSA-N
-rxn:4:184096:228155,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1OC,FWQNDSLMANTRLP-UHFFFAOYSA-N
-rxn:4:184137:222522,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)ccc1OCCCN1C(=O)c2ccccc2C1=O,RLPCAINSTCCDLN-UHFFFAOYSA-N
-rxn:4:184168:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c3ccccc23)cc1,NJSLYIJQUFURTB-UHFFFAOYSA-N
-rxn:4:184168:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c3ccccc23)cc1,WHRLXEMUCOSMKE-UHFFFAOYSA-N
-rxn:4:184177:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc2ccccc12,SSBFMFYYWLHACH-UHFFFAOYSA-N
-rxn:4:184181:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,OYPWCDMRNLQZJT-UHFFFAOYSA-N
-rxn:4:184185:222843,CC(=O)Oc1c(-c2ccc(C)cc2C(=O)NC(C)(C)C)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,MEVUNDFINZZLBL-UHFFFAOYSA-N
-rxn:4:184202:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OCc4ccccc4)c4c(c3F)CCN(C(=O)OC(C)(C)C)C4=O)cc2)CC1,BNIQLDPJZRZLRD-UHFFFAOYSA-N
-rxn:4:184249:222647,Cc1cc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)c(C)cc1NC(=O)OC(C)(C)C,CCXLVSYIITZNRJ-UHFFFAOYSA-N
-rxn:4:184249:223583,COC(=O)c1ccc2c(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3OCc3ccccc3)cn(C(=O)OC(C)(C)C)c2c1,UULVMNVNJPSHTJ-UHFFFAOYSA-N
-rxn:4:184249:223896,COc1cccc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)c1C(=O)N(C(C)C)C(C)C,YHNVHESTSITCOF-UHFFFAOYSA-N
-rxn:4:184267:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCCC(F)(F)F)cc3C#N)s2)CC1,HAIVFDOUPOTMCI-UHFFFAOYSA-N
-rxn:4:184458:224755,COC(=O)Cc1ccc(-c2cc(C(=O)N3CCOCC3)ccc2F)c(C(F)(F)F)c1C#N,QGYFWXSJHCJQDN-UHFFFAOYSA-N
-rxn:4:184471:222828,CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1-c1cc(F)c(F)cc1S(=O)(=O)NC1CC1,ANULHTIZNINWDC-UHFFFAOYSA-N
-rxn:4:184695:226844,O=C(ON1C(=O)CCC1=O)c1cc(OC(F)(F)F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZDTRCRMKYJYINP-UHFFFAOYSA-N
-rxn:4:184721:224018,CCOc1cc(C(=O)N(C)OC)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1,DQNLPQHRTIAFDF-UHFFFAOYSA-N
-rxn:4:184748:225715,COCCOCc1cc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)(F)F)c2)ccc1F,JDGUUMJHNQPKTK-UHFFFAOYSA-N
-rxn:4:184761:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C(C#N)C(=O)OC(C)(C)C)c1,SDOUHRYWUUEGSU-UHFFFAOYSA-N
-rxn:4:184805:223786,COC(=O)c1cc(Oc2ccc(F)cc2F)c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-],RDEVFJKMHIDFFI-UHFFFAOYSA-N
-rxn:4:184908:224318,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1,NQRMUDGDNCTBKP-UHFFFAOYSA-N
-rxn:4:184931:223966,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)c2)SC1=S,LLXNGJSSEATMRB-UHFFFAOYSA-N
-rxn:4:184931:226473,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cccnc3OCCN(C)C)c2)SC1=S,FYWOBARJLHYYSH-UHFFFAOYSA-N
-rxn:4:184969:224076,CC(C)Oc1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)ccc1C(=O)ON1C(=O)CCC1=O,RDAMTWTXBKYEJW-UHFFFAOYSA-N
-rxn:4:184984:222829,CNS(=O)(=O)c1ccc(-c2cnc(SC(C)C)c(C(=O)OC(C)(C)C)c2)c(C(F)(F)F)c1,QISIDLGJNNAPKK-UHFFFAOYSA-N
-rxn:4:184985:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(OCC3CN(C(=O)C(C)C)C3)cc2)c1,LAYOXKMVFDKMTO-UHFFFAOYSA-N
-rxn:4:185003:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(OCC(=O)N2CCC(C(F)(F)F)CC2)cc1,ANKMTOVPNPIUDY-UHFFFAOYSA-N
-rxn:4:185005:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(C(F)(F)F)C1,HDQOVZVWEVPISK-UHFFFAOYSA-N
-rxn:4:185063:223539,COc1ccc(-c2cccc(C(=O)N3CC(COc4ccc(F)cc4)C3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WYPDMBOIDVDJRM-UHFFFAOYSA-N
-rxn:4:185105:222933,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2cnc(NC(=O)OC(C)(C)C)nc2)C1,LYDHOPBAPXONGI-UHFFFAOYSA-N
-rxn:4:185107:222405,CC(C)S(=O)(=O)c1ncc(-c2cccc(C3NC(=O)NC3=O)c2)cc1C(=O)OC(C)(C)C,XDBBPIDLCYHLEQ-UHFFFAOYSA-N
-rxn:4:185122:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4ccc(C=C5SC(=S)N(CCOC)C5=O)o4)cc3)c2)CC1,ZMAMRFDXJAQDGP-UHFFFAOYSA-N
-rxn:4:185138:223572,COC(=O)C1CCN(CCc2cc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)ccc2F)CC1,DLZAEKYPYRGHRN-UHFFFAOYSA-N
-rxn:4:185160:225305,COC(=O)c1ccc(-c2cnc(C3CCC3)c(C(F)(F)F)c2)c(CN2CCCC(C(F)(F)F)C2)c1,OBSDZITUOICWOX-UHFFFAOYSA-N
-rxn:4:185165:225665,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(Cl)cc3N3CCCCC3)ccc2C(F)(F)F)C1,XSAIORQPBSNQBC-UHFFFAOYSA-N
-rxn:4:185172:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N1CCCC1CS(=O)(=O)c1ccccc1,LLWITXBOFYNVCA-UHFFFAOYSA-N
-rxn:4:185209:226844,CCOc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCC(C(F)(F)F)CC1,HSYFNYBDBXVDFE-UHFFFAOYSA-N
-rxn:4:185229:225204,Cc1c(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C(F)(F)F)cc1C1CC1,ZUEJABHVHSTMKI-UHFFFAOYSA-N
-rxn:4:185255:224462,COc1ccccc1C(=O)N(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,YCXNJFZLQDYFAG-UHFFFAOYSA-N
-rxn:4:185262:222684,CCN(C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(OC)c1)C1CCCCC1,ZUJUQWKYUWUAAC-UHFFFAOYSA-N
-rxn:4:185268:223895,CCN1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,AYCUGMPMMKGLKV-UHFFFAOYSA-N
-rxn:4:185271:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)(C(F)(F)F)C1,LNRUFYLYZJMAGF-UHFFFAOYSA-N
-rxn:4:185277:224798,CCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cc(OC(F)(F)F)ccc3OC(C)C)cc2)cc1,AARBSTZFGLYNGT-UHFFFAOYSA-N
-rxn:4:185289:224323,Cc1cc(-c2cccc(CN(C(=O)c3ccccc3F)C3CCS(=O)(=O)C3)c2)cc(C)c1S(=O)(=O)N1CCCC1,BEYINWNXSPYWER-UHFFFAOYSA-N
-rxn:4:185298:225723,CCOc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)C2=O)cc1OC,IGLPZGQYGLJBHI-UHFFFAOYSA-N
-rxn:4:185310:222942,CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cc2)CC1,KGEUHGQBLXETDS-UHFFFAOYSA-N
-rxn:4:185317:226502,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3ccn(C(=O)OC(C)(C)C)c3)c2)C1,SBPYIDOCXQXQMI-UHFFFAOYSA-N
-rxn:4:185320:224612,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2Cl)CC1,DWXKFFFRPXBIKR-UHFFFAOYSA-N
-rxn:4:185330:222684,O=C(c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1OCc1ccccc1)N1CCCCC1,DBZYBYDSARENGT-UHFFFAOYSA-N
-rxn:4:185332:222684,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)C1C=CS(=O)(=O)C1,UNVZMUPPAGFINO-UHFFFAOYSA-N
-rxn:4:185333:222858,Cc1cccc(CC(=O)N(c2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)C2C=CS(=O)(=O)C2)c1,GKXZNWJVDIOKLO-UHFFFAOYSA-N
-rxn:4:185344:225723,COc1cc(C=C2SC(=S)N(c3ccccc3-c3ccc(OCCN(C)C)c(Cl)c3)C2=O)cc(OC)c1OC,ZBWSJRRNLZKQKA-UHFFFAOYSA-N
-rxn:4:185350:223753,Cc1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)cc1OCCCN1CCN(C)CC1,JYTCRCAUOFOPQJ-UHFFFAOYSA-N
-rxn:4:185353:224101,CC1CCN(CCOc2cccc(-c3ccc(CC(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)cc3)c2)CC1,UEDZOCCSXLGCMD-UHFFFAOYSA-N
-rxn:4:185376:223239,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cncc(C3CCCN3)c2)C1,HGXFDFGLIOWTIO-UHFFFAOYSA-N
-rxn:4:185381:223490,Cc1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZLXBRZCODONXGP-UHFFFAOYSA-N
-rxn:4:185397:223755,CC1CCN(CCCOc2ccc(-c3ccc(CC(=O)N4CCCC(S(=O)(=O)c5ccc(F)cc5)C4)cc3)cc2F)CC1,MFAFCDOEEWDNHV-UHFFFAOYSA-N
-rxn:4:185415:222988,Cc1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)n1,GDQAGMXUMXOOSW-UHFFFAOYSA-N
-rxn:4:185422:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,VGJYMNDKCGFGFG-UHFFFAOYSA-N
-rxn:4:185428:223845,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)CC1,KGUCXIKUCGMRGG-UHFFFAOYSA-N
-rxn:4:185428:226524,CCOC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(F)c1,CNZYPHSNCZZQMP-UHFFFAOYSA-N
-rxn:4:185429:224198,CCN1CCN(Cc2ccc(-c3ccc(COc4cc(C)c(CN5CCOCC5)cc4C)cc3)c(F)c2)CC1,NDYAQCIZKCQJQN-UHFFFAOYSA-N
-rxn:4:185440:223279,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,YKULWLKIBNEEFK-UHFFFAOYSA-N
-rxn:4:185476:222684,O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1,OPMHHLVPJNBXSM-UHFFFAOYSA-N
-rxn:4:185516:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCCCN4C(=O)C(=O)c5cccc(C)c54)cc3)c2)CC1,HFDSWRKTEUKTFH-UHFFFAOYSA-N
-rxn:4:185538:222684,Cc1cccc(OCCCN2C(=O)C(=O)c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc(C)c32)c1,GNWXBWVQTBKMFF-UHFFFAOYSA-N
-rxn:4:185538:224751,Cc1cccc(OCCCN2C(=O)C(=O)c3cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cc(C)c32)c1,NUWKDYYDHLXINC-UHFFFAOYSA-N
-rxn:4:185548:224932,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(CN(C)C(C)C)ccc4OC)cc(C)c32)cc1OC,RWCFQUODUZUYQL-UHFFFAOYSA-N
-rxn:4:185571:227763,COc1cc(-c2ccc(CN(C(=O)C3COc4ccccc4O3)C3CCS(=O)(=O)C3)o2)c(F)c(F)c1Cl,LYMTYBBIGXGAOT-UHFFFAOYSA-N
-rxn:4:185588:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O,VDDYEQXXYDVCTP-UHFFFAOYSA-N
-rxn:4:185589:222448,COc1ccc(-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,RSHSKJACGPLURP-UHFFFAOYSA-N
-rxn:4:185591:224420,COC(=O)C1=Cc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2N(Cc2ccc(OC)cc2)CCC1,UTNZVAPCXHUWIO-UHFFFAOYSA-N
-rxn:4:185598:225875,Cc1c(C(=O)N(Cc2cccc(-c3ccc(N4CCOCC4)cc3Cl)c2)C2CCS(=O)(=O)C2)oc2ccc(Cl)cc12,JEXYUTRGAZFEOP-UHFFFAOYSA-N
-rxn:4:185687:223895,CCOC(=O)c1sc(-c2ccc(OCCN3CCN(CC)CC3)cc2)nc1C(F)(F)F,QNRMKMDQEISEPO-UHFFFAOYSA-N
-rxn:4:185922:223995,COC(=O)c1c(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)ccc(C(F)(F)F)c1C#N,AURGRTSWOHMQJN-UHFFFAOYSA-N
-rxn:4:185958:223598,CCOC(=O)Cc1ccnc(Cl)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,WQOCSXDCHNTCCF-UHFFFAOYSA-N
-rxn:4:186313:223536,CN(C)CCOc1ccc(F)c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VMEGTJWZRHFXTI-UHFFFAOYSA-N
-rxn:4:186314:223753,Cc1ccc(-c2cccc([N+](=O)[O-])c2OCC(C)C)cc1OCCCN1CCN(C)CC1,OFNSUDSIJUMCRI-UHFFFAOYSA-N
-rxn:4:186354:223834,Cc1cc(-c2cnc(OCC(C)C)c(C(F)(F)F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BRSTXJRSVFYBHW-UHFFFAOYSA-N
-rxn:4:186368:222546,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1OC,AETARBZREPSZCF-UHFFFAOYSA-N
-rxn:4:186368:222676,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)ccc2CNC(=O)OC(C)(C)C)cc1OC,HOETWTFZLSBURW-UHFFFAOYSA-N
-rxn:4:186368:223926,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1OC,WSITWGHSYYLNAA-UHFFFAOYSA-N
-rxn:4:186368:223995,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1OC,GPWDKKOKMFJMKR-UHFFFAOYSA-N
-rxn:4:186368:224061,CCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c(F)c2)CC1,ZSPCMEBJDAZNLR-UHFFFAOYSA-N
-rxn:4:186368:224172,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1OC,DEZBKIVBNLZGKT-UHFFFAOYSA-N
-rxn:4:186461:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(OCC3CC3)c([N+](=O)[O-])cc2C)CC1,KBGKJOBZUJSBMG-UHFFFAOYSA-N
-rxn:4:186629:223533,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,BBLCELJEMNRJRC-UHFFFAOYSA-N
-rxn:4:186629:224022,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,RIIYGKQDKUQKLB-UHFFFAOYSA-N
-rxn:4:186629:224167,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN(C)C(=O)OC(C)(C)C)cc1,ULNHPAQQHQKINB-UHFFFAOYSA-N
-rxn:4:186630:224336,CCOC(=O)c1cc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)c(S(N)(=O)=O)cc1C,DYWRCIQKLZARQQ-UHFFFAOYSA-N
-rxn:4:186663:222808,COc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C(=O)NC(C)C)cc([N+](=O)[O-])c2)c1,PVSKEGPGWMNAQB-UHFFFAOYSA-N
-rxn:4:186699:224007,CCOc1cc(-c2cc(OC(F)(F)F)cc(OCC(C)C)c2F)ccc1C(=O)N1CCC1,XNVCSWDRXNRKBI-UHFFFAOYSA-N
-rxn:4:186796:224781,FC(F)(F)Oc1ccc(CN2CCCC2)cc1-c1ccc(C2CCCO2)c(C(F)(F)F)c1,CEFWASVMQLUAMD-UHFFFAOYSA-N
-rxn:4:186893:222629,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC3)cc2)cc(C2CCCNC2)n1,VDUCWNFHQXWPML-UHFFFAOYSA-N
-rxn:4:186974:224772,O=C(COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCOCC2)cc1Cl)N1CCCCC1,HEXUIPZPVGSNKZ-UHFFFAOYSA-N
-rxn:4:187026:226844,O=C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)CC1,XKYYKQPUYBFSKH-UHFFFAOYSA-N
-rxn:4:187034:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCCCC4)cc3)c(F)cc2C)CC1,QWPJNEAHYSSHDL-UHFFFAOYSA-N
-rxn:4:187074:223786,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1CN1CCOCC1,BTBCUWLDYVVQKD-UHFFFAOYSA-N
-rxn:4:187128:222684,O=C(CS(=O)(=O)c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCCCC1,BOLZNDZBHZPQKM-UHFFFAOYSA-N
-rxn:4:187145:222439,O=C1OC(COc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CN1c1ccccc1,JGYXJSSLHMBXIM-UHFFFAOYSA-N
-rxn:4:187148:226437,O=C(Cc1ccc(-c2cc(C3CCCC3)ncc2F)c(F)c1)N1CCCC(C(F)(F)F)C1,QLHAIUSVWWRJHP-UHFFFAOYSA-N
-rxn:4:187191:224125,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,HREYAXPWPPYRNM-UHFFFAOYSA-N
-rxn:4:187216:225095,CCOC(=O)c1ccc(OCC)c(-c2cc(CN3CCC(F)CC3)cc(C(=O)OC)c2)c1,DFSLRZMGLKOIKT-UHFFFAOYSA-N
-rxn:4:187254:223045,CC(C)NC(=O)c1ccc(F)c(-c2cc(CCN3CCCC(C(F)(F)F)C3)ccc2F)c1,JSOVQPODXGLBLS-UHFFFAOYSA-N
-rxn:4:187289:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCC(C)CC4)cc3)c(F)cc2C)CC1,VAQXKTJKCGJARF-UHFFFAOYSA-N
-rxn:4:187304:224404,COC1CCN(CCc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)ccc2F)CC1,RDGYFCJZAIKQGC-UHFFFAOYSA-N
-rxn:4:187327:223036,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccc(NC(=O)C(C)(C)C)nc3)c2)COS1(=O)=O,FFYIMETXGGIIHL-GOSISDBHSA-N
-rxn:4:187334:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccccc4CN4CC=CC4)cc3)c(F)cc2C)CC1,JUPLDLRFFBWEFJ-UHFFFAOYSA-N
-rxn:4:187338:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4ccc(CN5CC=CC5)cc4)cc3F)cc2F)CC1,USVVCCBKVCESEQ-UHFFFAOYSA-N
-rxn:4:187373:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(S(=O)(=O)N4CCCCC4)cc3OC)c(F)cc2C)CC1,ARWGSJRUTJEWIO-UHFFFAOYSA-N
-rxn:4:187380:225755,COC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2C)cc(C2CC2)n1,ZHQVUGRXRNDVEU-UHFFFAOYSA-N
-rxn:4:187408:225377,CC(CS(=O)(=O)c1ccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1)N1CCCCC1,NZJAXPUQERJWDG-UHFFFAOYSA-N
-rxn:4:187432:225346,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(CN2CCC(C)CC2)c1,XDNSEDSJFLARCN-UHFFFAOYSA-N
-rxn:4:187451:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4cccc(CN5CCCC5)c4)cc3)c(F)cc2C)CC1,KHXLQYVGCCMRSY-UHFFFAOYSA-N
-rxn:4:187500:222607,COc1cc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc(OC)c1C(=O)N1CCCCC1C,DFRKOGKGOLEMBU-UHFFFAOYSA-N
-rxn:4:187513:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)c4cccc(CN5CCOCC5)c4)c3)cc2)CC1,LFFYEDITBWHMPN-UHFFFAOYSA-N
-rxn:4:187542:224877,COc1cc(-c2ccc(COC3CCCCC3)cc2)cc(OC)c1CN1CCC(C)CC1,BQUDQGJXDUCTPU-UHFFFAOYSA-N
-rxn:4:187543:224590,COc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)cc(OC)c1CN1CCCC(C)C1,UWLVRXMAAPOYCV-UHFFFAOYSA-N
-rxn:4:187546:223895,CCN1CCN(CCOc2ccc(-c3ccc(C)c(C(=O)N(CC)C4CCCCC4)c3)cc2)CC1,QKNHLASBCGXZHX-UHFFFAOYSA-N
-rxn:4:187548:222729,CCCc1cc(-c2cc(C)cc(C(=O)N(CC)C3CCCCC3)c2)cc(C2CCCNC2)n1,XRMUOMHPEIKYIH-UHFFFAOYSA-N
-rxn:4:187553:226844,CCOc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,ZHCOYSFEHIYSRR-UHFFFAOYSA-N
-rxn:4:187555:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)c1,VEHUYDLLMMSONE-UHFFFAOYSA-N
-rxn:4:187565:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1C=C1SC(=O)N(Cc2ccc(C)cc2)C1=O,FQCPZDUFWRGCRS-UHFFFAOYSA-N
-rxn:4:187566:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N(C4C=CS(=O)(=O)C4)S(=O)(=O)c4ccc(C)cc4)cc3)c2)CC1,VOIZCHXQEJCVLQ-UHFFFAOYSA-N
-rxn:4:187572:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,DBUROWGNONPMLC-UHFFFAOYSA-N
-rxn:4:187587:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,SLCVPMMIPCRMGZ-UHFFFAOYSA-N
-rxn:4:187594:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,NBYSIVLEUAEQDD-UHFFFAOYSA-N
-rxn:4:187597:222824,Cc1cc(F)c(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)cc1S(=O)(=O)NC(C)C,USLIQWUDEZJSIN-UHFFFAOYSA-N
-rxn:4:187598:226335,N#Cc1cc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1C1COC1,LYLKNSLAHKMPTE-UHFFFAOYSA-N
-rxn:4:187625:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc(OC(C)C)c1CN1CCC(C)CC1,YCXQGXUIMALZPJ-UHFFFAOYSA-N
-rxn:4:187626:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,VWAZEASCXDATLY-UHFFFAOYSA-N
-rxn:4:187632:223183,CNS(=O)(=O)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c(C)c1,ACDRFESKPYUNOJ-UHFFFAOYSA-N
-rxn:4:187632:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1,NPWZAEAFFBBTIC-UHFFFAOYSA-N
-rxn:4:187634:227517,O=C(C1CCCCC1)N(c1ccc(-c2ccc(OC3COC3)nc2)cc1)C1C=CS(=O)(=O)C1,PDPMFHQXANDCRO-UHFFFAOYSA-N
-rxn:4:187641:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1,BKJDUUVYHCVFCN-UHFFFAOYSA-N
-rxn:4:187643:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)OCCCO2,IEZZXDCWGUHDQG-UHFFFAOYSA-N
-rxn:4:187665:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,LJDUMCJQVIUOLG-UHFFFAOYSA-N
-rxn:4:187666:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,FYQITOVYCJWCQI-UHFFFAOYSA-N
-rxn:4:187669:226106,Cc1cc(OCC(C)C)cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,RFBIXIKVIXQPLV-UHFFFAOYSA-N
-rxn:4:187670:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1,BJBKPPCMOWMQHX-UHFFFAOYSA-N
-rxn:4:187678:222394,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)C2)cc1,OZIPBLGULOFPGB-PXZAGRAOSA-N
-rxn:4:187769:223697,CCOC(=O)Cc1c[nH]c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c12,GOZMSYOQWQAWHB-UHFFFAOYSA-N
-rxn:4:187822:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CN(CC(=O)OC(C)(C)C)C2=O)C(C)C,GGHMHGAAAAEYJF-UHFFFAOYSA-N
-rxn:4:187916:225123,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccncc1OCC1CCCCO1,WYKPBVHVHWFUGE-UHFFFAOYSA-N
-rxn:4:187916:226457,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCOC2)c(F)c1,CWPPJTFKTIXWPW-UHFFFAOYSA-N
-rxn:4:187917:225733,CCCCOc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(SC)C3)c(F)cc1F,VHBGWCNTAFYUFC-UHFFFAOYSA-N
-rxn:4:187947:225296,CCN(C(=O)c1cc2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2oc1=O)C1CCCCC1,HCHKCGISLFHBER-UHFFFAOYSA-N
-rxn:4:187961:225105,CCN(CC)C(=O)c1ccc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)cc1F,VAXJWKFNTWPQEB-UHFFFAOYSA-N
-rxn:4:188014:224428,CCCCOc1ccc2cc(-c3ccc(C(=O)Oc4ccccc4N4C(=O)C5C6CCC(C6)C5C4=O)cc3)ccc2c1,FTPCDXKEBPQZQD-UHFFFAOYSA-N
-rxn:4:188026:226606,CC(C)Oc1c(F)cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc1Cl,MBWNLSZKEFRNOA-UHFFFAOYSA-N
-rxn:4:188144:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc([N+](=O)[O-])ccc1OC(F)F,JCPYTTLCRUAFTN-UHFFFAOYSA-N
-rxn:4:188294:222702,N#Cc1cc(C(F)(F)F)c(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1C(F)(F)F,DIPPJHJBUUMPMC-UHFFFAOYSA-N
-rxn:4:188443:223696,COc1cc(C(=O)C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,LTJWDMRKTIKCEP-UHFFFAOYSA-N
-rxn:4:188829:223482,CCOC(=O)c1ccc(C)nc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,NYDRMXLAQUBVAE-UHFFFAOYSA-N
-rxn:4:188975:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc([N+](=O)[O-])cc4OC(C)C)c3C(=O)C1C2(C)C,VGCODFJJXOOSFD-UHFFFAOYSA-N
-rxn:4:189106:223753,COc1cc(S(N)(=O)=O)c(OC)cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,AIKZCYXJBFJCGF-UHFFFAOYSA-N
-rxn:4:189208:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(Cl)c3)cc2)CC1,MTJJEXZHJYSTBZ-UHFFFAOYSA-N
-rxn:4:189600:224257,Cc1ccc(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)cc1C(=O)ON1C(=O)CCC1=O,FVQMKSDFSFRNKF-UHFFFAOYSA-N
-rxn:4:189791:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=N)(=O)C4CCC4)c3)cc2)CC1,QXLCUNQZFXSKHX-UHFFFAOYSA-N
-rxn:4:189919:223895,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])c(SC4CCCCC4)c3)cc2)CC1,QCIBGLAVCMSYIS-UHFFFAOYSA-N
-rxn:4:189921:224022,COC(=O)c1c(C2CCOCC2)ccnc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,PLXHOQXVEMUYLT-UHFFFAOYSA-N
-rxn:4:189944:222721,O=S(=O)(Cc1cccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)c1)N1CCOCC1,LBJWEGKYKISXED-UHFFFAOYSA-N
-rxn:4:190025:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3S(=O)(=O)CN3CCCCC3=O)c2)CC1,VKKWIKFRTFOKEG-UHFFFAOYSA-N
-rxn:4:190085:223901,CC1CCN(CCOc2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCC(F)(F)CC3)cc2Cl)CC1,YOPNDKKUAXZZLP-UHFFFAOYSA-N
-rxn:4:190086:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)c2)c1,PVXYBUWXJHILQY-UHFFFAOYSA-N
-rxn:4:190146:224326,Cc1cc(-c2ccc(F)c(CCN3CCCC(F)(F)C3)c2)ccc1S(=O)(=O)N1CCCCC1,HXZAUUCZQXSOQA-UHFFFAOYSA-N
-rxn:4:190173:226103,CCCOc1c(C)cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc1C,UVIOIRDNPQUDCF-UHFFFAOYSA-N
-rxn:4:190227:224766,CS(=O)(=O)c1ccc(CN2CCOCC2)c(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c1,IHLOJXVRXVFKBY-UHFFFAOYSA-N
-rxn:4:190249:224198,CCN1CCN(Cc2ccc(-c3cccc(C=C4SC(=S)N(c5cccc(C(F)(F)F)c5)C4=O)c3)c(F)c2)CC1,LRYCKOPORCUPBA-UHFFFAOYSA-N
-rxn:4:190253:222465,CN(C(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)C1CCCCC1,XQFTYICPNNWFCW-UHFFFAOYSA-N
-rxn:4:190288:225761,CC(C)Cc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2C(F)(F)F)c([N+](=O)[O-])c1,SVKSHNKVRWAXDV-UHFFFAOYSA-N
-rxn:4:190297:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C(=O)C(=Cc5ccccc5OC)SC4=S)cc3)c2)CC1,NWUNDEZUEOTBBH-UHFFFAOYSA-N
-rxn:4:190355:224738,CC1CCN(S(=O)(=O)c2cc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,GQOCQTPYLWOJGP-UHFFFAOYSA-N
-rxn:4:190373:222813,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,MONFOWBYFKNUCM-UHFFFAOYSA-N
-rxn:4:190373:222943,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(F)c(S(=O)(=O)NC2CC2)c1,QYCWNXGLHJMMTN-UHFFFAOYSA-N
-rxn:4:190374:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1C,MVDXAGVGJXZIPI-UHFFFAOYSA-N
-rxn:4:190377:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,KZWXGJMKWCKVGC-UHFFFAOYSA-N
-rxn:4:190383:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,HATMKCAXZNPCHT-UHFFFAOYSA-N
-rxn:4:190387:225293,CCC(=O)C1CCCN(c2cccc(C)c2-c2ccc(C(F)(F)F)c(OC(C)C)c2)C1=O,NUFFXPUNLFSEKK-UHFFFAOYSA-N
-rxn:4:190397:226310,CC(C)COc1cc(-c2ccc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)cc2)ccc1F,FCTBKVVHUQLVCY-UHFFFAOYSA-N
-rxn:4:190419:222540,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)C1=O,QPAKWCGHEAGDFI-UHFFFAOYSA-N
-rxn:4:190419:222632,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C1=O,JTNVDATZNFTMRY-UHFFFAOYSA-N
-rxn:4:190428:224810,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1,ZQNOSNOLOBLHON-UHFFFAOYSA-N
-rxn:4:190431:223686,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)c(C(=O)N2CCC3(CC2)OCCS3)c1,XMTXBIIHXDPNRI-UHFFFAOYSA-N
-rxn:4:190433:222723,Cc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,NVDVHCFALVGOMT-UHFFFAOYSA-N
-rxn:4:190448:222899,CCCCNS(=O)(=O)c1ccc(-c2c(C)cccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,TWWLLLLQBOAYDU-UHFFFAOYSA-N
-rxn:4:190461:224830,O=C(c1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)ccc1Cl)N1CCSC(c2ccccc2F)CC1,QQCPWZVOXRSAGN-UHFFFAOYSA-N
-rxn:4:190486:222855,COc1cc(-c2ccc(C3CCCN3CC3CCCCC3)cc2)cc(C2CCCNC2)c1,KNSXJAXAOJZZAZ-UHFFFAOYSA-N
-rxn:4:190493:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,MHBHYJHTTRXXQL-UHFFFAOYSA-N
-rxn:4:190497:222719,CC1CCCN(Cc2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc(C(C)(C)C)c2)C1,PNNBYRCXBSHXFA-UHFFFAOYSA-N
-rxn:4:190675:223755,CC(=O)CCN1C(=O)C(=O)c2cc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)ccc21,CVAVLQOUTYTIOM-UHFFFAOYSA-N
-rxn:4:190678:222632,CCOC(=O)C1C=Nc2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)ccc2C1=O,UERKURZOOCFOSO-UHFFFAOYSA-N
-rxn:4:190678:222648,CCOC(=O)C1C=Nc2cc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)ccc2C1=O,VMTCODOLSCKWHH-UHFFFAOYSA-N
-rxn:4:190833:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cc2[N+](=O)[O-])CC1,LIMHXVRXAGNWLH-UHFFFAOYSA-N
-rxn:4:190855:224738,CC(C)(C)OC(=O)N1CCc2c(csc2-c2cc(OCC3CC3)cc(C(F)(F)F)c2)C1,FAELJQZULPAFCH-UHFFFAOYSA-N
-rxn:4:190867:224883,CC(c1ccc(-c2ccccc2CC(=O)N2CC3CC2CS3(=O)=O)cc1)N1CCCCC1,ZCTGVMRZTPMQSM-UHFFFAOYSA-N
-rxn:4:190870:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)cc1,XSDGRSBQRISQLW-UHFFFAOYSA-N
-rxn:4:190899:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(F)ncc21,ULOIEQCMLISSDP-UHFFFAOYSA-N
-rxn:4:190942:222684,COC(=O)C1=CN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2ccccc2S1(=O)=O,QLJVYWQYFICNMC-UHFFFAOYSA-N
-rxn:4:190946:222540,COC(=O)C1=CN(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)c2ccc(F)cc2S1(=O)=O,VCDVOTGTQOCOCH-UHFFFAOYSA-N
-rxn:4:190965:223699,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)ccc(F)c2C1,CGWSUQUZACCLKN-UHFFFAOYSA-N
-rxn:4:191005:223569,COC(=O)c1ccc2c(C3CCCCC3)c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)[nH]c2c1,DCWXDSCULVFOSX-UHFFFAOYSA-N
-rxn:4:191006:222695,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cc1,NEXJWKUTCXTXSN-UHFFFAOYSA-N
-rxn:4:191008:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C)C(C)C,QKYVNNNJOIOWOT-UHFFFAOYSA-N
-rxn:4:191027:223813,COC(=O)C1=CN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c(C)c2)c2cc(F)ccc2S1(=O)=O,JUZJQJPTVPDDLM-UHFFFAOYSA-N
-rxn:4:191031:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)s1,JMLQBRGYEPJVQP-UHFFFAOYSA-N
-rxn:4:191032:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,RNXIAWNTBJCFEU-UHFFFAOYSA-N
-rxn:4:191033:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCC2)C(C)C,YQFFOEZTSUFTBI-UHFFFAOYSA-N
-rxn:4:191033:224967,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)cc(C(C)(C)C)c1,FCAMJMJUOCTERU-UHFFFAOYSA-N
-rxn:4:191039:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1C,AFJHBHHEOPVZPI-UHFFFAOYSA-N
-rxn:4:191041:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,ALTDMUWGRKUYOP-UHFFFAOYSA-N
-rxn:4:191058:225755,COC(=O)c1cc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)cc(C2CC2)n1,PXLFULOCSJJTOQ-UHFFFAOYSA-N
-rxn:4:191062:226414,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2=NCCCO2)cc1,CZEAJCCLLPBBEE-UHFFFAOYSA-N
-rxn:4:191062:226425,CC1CCCCN1c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1,DOIZCNYMAGIYOR-UHFFFAOYSA-N
-rxn:4:191089:224279,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2C(C)(C)C1,OUHRCBSWPBIDOR-UHFFFAOYSA-N
-rxn:4:191091:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,BHUTZSGYKBWAAI-UHFFFAOYSA-N
-rxn:4:191099:223932,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc1C2=O,CLVHCJAIJAJXQI-UHFFFAOYSA-N
-rxn:4:191103:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C,DSPSDBAVXXUQQA-UHFFFAOYSA-N
-rxn:4:191103:226228,COCCCOc1ccccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,HLWCKWSKOYHOTA-UHFFFAOYSA-N
-rxn:4:191103:226844,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,RCYHAYORCZLUKD-UHFFFAOYSA-N
-rxn:4:191104:226125,COCc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)cc(C2CC2)c1,YQKPVIKWBZEGJF-UHFFFAOYSA-N
-rxn:4:191105:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1F,LZWMAGQNIVENNL-UHFFFAOYSA-N
-rxn:4:191105:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,VSIBBTFXQWUXPB-RQNOJGIXSA-N
-rxn:4:191105:226212,CON=C1CCc2cc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)ccc21,VYTOHSISORRCCV-UHFFFAOYSA-N
-rxn:4:191105:226997,CCCOc1cc(C)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,IVOVLSVZWHGOMZ-UHFFFAOYSA-N
-rxn:4:191105:227072,COc1cc(C2CC2)ccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,ALCPFLIYAJNRNB-UHFFFAOYSA-N
-rxn:4:191112:223753,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)c3)c3ccccc3S2(=O)=O)cc1,LYSNPHHVISKXIX-UHFFFAOYSA-N
-rxn:4:191118:226091,CCCCOc1ccc(C)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,NZVYDHBAJQJJQJ-UHFFFAOYSA-N
-rxn:4:191124:226844,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,HVFZUMMHLZQSDC-UHFFFAOYSA-N
-rxn:4:191125:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,NETMLELPRRFBPJ-UHFFFAOYSA-N
-rxn:4:191125:223109,CC(NC1CC1)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,AMPCNVFZBRTGKY-UHFFFAOYSA-N
-rxn:4:191155:223755,CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1,VJWXJJOJZGRFDJ-UHFFFAOYSA-N
-rxn:4:191157:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C=NCC34CC5CC(CC(C5)C3)C4)cc2)c1,MRSUJPIEZSMZOG-UHFFFAOYSA-N
-rxn:4:191171:223695,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc1c32,MRWFYFYCCFWSPY-UHFFFAOYSA-N
-rxn:4:191173:225827,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccnc(N6CCN(C)CC6)c5)c4)cc1c32,RWVRGKUDPFGAEG-UHFFFAOYSA-N
-rxn:4:191195:222831,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(CNc3ccccc3)cc1)c1c2CCC1,VHHPROGWHOXSAB-UHFFFAOYSA-N
-rxn:4:191195:227048,CC(C)C(=O)c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,YYXZQSPCOYQWPR-UHFFFAOYSA-N
-rxn:4:192188:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C3CC3)cc2)CC1,IIKGGDYDMDAWQW-UHFFFAOYSA-N
-rxn:4:192620:223492,Cc1cc(-c2cccc(CN3C(=O)C=CC3=O)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UWKVIBGESAUGBV-UHFFFAOYSA-N
-rxn:4:192732:223712,COc1ccc(-c2ccc(C(=O)N3CCOCC3)o2)cc1C12CC3CC(CC(C3)C1)C2,SURURNYTXRHWAM-UHFFFAOYSA-N
-rxn:4:192937:223842,COc1cc(N2CCOC2=O)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,QSBNSUDEKSFRKG-UHFFFAOYSA-N
-rxn:4:193104:224360,CCc1cc(-c2ccc(C(=O)OC)n2C(=O)OC(C)(C)C)ccc1N1C(=O)C=CC1=O,ZJZSAEKYORZLLS-UHFFFAOYSA-N
-rxn:4:193269:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCCC4)c(F)cc3F)cn2)CC1,YTWSWYVURYQELN-UHFFFAOYSA-N
-rxn:4:193277:222540,CCN1C(=O)C(=Cc2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)SC1=S,JQJWAUOJILZCPL-UHFFFAOYSA-N
-rxn:4:193277:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C=C4SC(=S)N(CC)C4=O)c3)c2)CC1,NDNYOTBFTGXJDL-UHFFFAOYSA-N
-rxn:4:193354:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,NAGNZTGPWRRXJX-UHFFFAOYSA-N
-rxn:4:193354:223895,CCN1CCN(CCOc2ccc(-c3ccc(C=NC4CCS(=O)(=O)C4)cc3)cc2)CC1,RFZRMWXVSXAZFU-UHFFFAOYSA-N
-rxn:4:193455:223814,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1CCCOC1,MSTYCXCLKPOXOA-UHFFFAOYSA-N
-rxn:4:193475:223748,O=C1CCN(Cc2cc(F)ccc2-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)CC1,YBXXHSBFZSQECQ-UHFFFAOYSA-N
-rxn:4:193507:224713,CCCCOc1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2Cl)c(C(F)(F)F)c1,JHHZTYYVVVEMAA-UHFFFAOYSA-N
-rxn:4:193561:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)c(F)c2)CC1,WXHYTYKVFCVCIC-UHFFFAOYSA-N
-rxn:4:193563:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,PHVXWYXVKFDGDI-UHFFFAOYSA-N
-rxn:4:193589:222524,Cc1ccc(CN2CCC(F)(F)C2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,XMCCKVBPZJITTM-UHFFFAOYSA-N
-rxn:4:193652:223753,Cc1ccc(-c2ccc(C3=NC(=Cc4ccc(Cl)cc4)C(=O)O3)cc2)cc1OCCCN1CCN(C)CC1,KSZDHFDHBHMSKZ-UHFFFAOYSA-N
-rxn:4:193710:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C(=O)C(=Cc5ccc(Cl)cc5)SC4=S)c3)cc2)CC1,GGBFVSOWPOZHMG-UHFFFAOYSA-N
-rxn:4:193769:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C)cc(C(=O)N4CCCCC4)c3F)cc2)CC1,KPEKUGQWDXDRNF-UHFFFAOYSA-N
-rxn:4:193770:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)cc1OCCCN1CCN(C)CC1,AFBZEZGXABHFJD-UHFFFAOYSA-N
-rxn:4:193775:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c1F,LMMCETQPBSGGDM-UHFFFAOYSA-N
-rxn:4:193835:223528,CC1CCCCN1S(=O)(=O)c1ccccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,TXMFCUMGJWILPX-UHFFFAOYSA-N
-rxn:4:193845:224329,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cc2)CC1,MXCOAXAVJQZJFT-UHFFFAOYSA-N
-rxn:4:193895:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OC)cc(N4CCC(C)CC4)c3)cc2)CC1,PSRRFNHBFLWIAJ-UHFFFAOYSA-N
-rxn:4:193898:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCC(OC)CC4)c3C)cc2)CC1,KXGQJLBCMRRHEF-UHFFFAOYSA-N
-rxn:4:193909:222514,COc1ccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)cc1S(=O)(=O)NC1CCCCC1,UNMRFVDKOWYUGQ-UHFFFAOYSA-N
-rxn:4:193924:222632,Cc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)c(C(=O)N2CCCCC2C)c1,QHMOTZWVJAZUBI-UHFFFAOYSA-N
-rxn:4:193957:224588,Cc1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,CINIDQMILCSRJR-UHFFFAOYSA-N
-rxn:4:193962:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCCCC4)cc3C)cc2)CC1,YXGCNBBPLMBJAM-UHFFFAOYSA-N
-rxn:4:193975:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCS3)cc1,CDGPAONKTCTGFU-UHFFFAOYSA-N
-rxn:4:193979:222861,CCCCNC(=O)c1cc(-c2ccc(C3SCC(=O)N3C3CCCCC3)cc2)ccc1F,JEKOJMYYMNWZPG-UHFFFAOYSA-N
-rxn:4:193980:224612,O=C1CSC(c2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)N1C1CCCCC1,VNYSGSWWAXCXAT-UHFFFAOYSA-N
-rxn:4:193990:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(=C5CCC5)CC4)cc3)cc2)CC1,CESXBJYHZAIJAD-UHFFFAOYSA-N
-rxn:4:193992:224127,CCN1CCN(C(C)c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3C)cc2)CC1,IWWOAFCSPGTDJO-UHFFFAOYSA-N
-rxn:4:194052:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(OC(F)(F)F)cc3cc[nH]c23)CC1,NTHLUKFLURAKFR-UHFFFAOYSA-N
-rxn:4:194456:224155,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)cc(C3CC3)c2)CC1,JTBNJSFMHRDNCB-UHFFFAOYSA-N
-rxn:4:194592:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1C2C=CCC1CC2,DGWQMJTWHPVJOU-UHFFFAOYSA-N
-rxn:4:194644:222718,C=C1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,CJQZTQJHTQTUCB-UHFFFAOYSA-N
-rxn:4:194644:223753,C=C1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,OLUCDRSKVFRUHY-UHFFFAOYSA-N
-rxn:4:194649:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C=C(C(=O)N3CCOCC3)C=CO4)c(F)cc2C)CC1,MVLQCDQDPFOVBP-UHFFFAOYSA-N
-rxn:4:194715:225305,FC(F)(F)c1cc(-c2cccc3c2CCC3N2CCC(C(F)(F)F)CC2)cnc1C1CCC1,ISSUEHPHJHIPGY-UHFFFAOYSA-N
-rxn:4:194750:223227,CC(NC1CC1)c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)s1,AULRHZJEDSMIFI-UHFFFAOYSA-N
-rxn:4:194753:223489,Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3C2)cc1,PNPGJRUKTYIZOE-UHFFFAOYSA-N
-rxn:4:194768:224687,COC1CCN(C2CCCc3cc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)ccc32)CC1,DNWKJQREOXZUSZ-UHFFFAOYSA-N
-rxn:4:194773:225177,O=C1OC2(CCN(S(=O)(=O)c3ccccc3-c3ccc(CN4CCSCC4)c(F)c3)CC2)c2ccccc21,UCUNKMQDQLTJTO-UHFFFAOYSA-N
-rxn:4:194783:224488,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)cc2)c2ccc(C)cc21,KKMKUVCUTPLQGU-UHFFFAOYSA-N
-rxn:4:194796:223583,COC(=O)c1ccc2c(-c3ccc(-c4cc5c(n4-c4ccc(C)cc4C)CC(C)(C)CC5=O)cc3)cn(C(=O)OC(C)(C)C)c2c1,NJRYRZBMLPSWRL-UHFFFAOYSA-N
-rxn:4:194799:226844,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(=O)C12,GOMGTHLIYJEHOB-UHFFFAOYSA-N
-rxn:4:196138:223531,Cc1ccc(S(N)(=O)=O)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,JSRHKXSWKQOTHP-UHFFFAOYSA-N
-rxn:4:196841:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3CCOCC3)cc2)CC1,INTLDCMVKHBEFP-UHFFFAOYSA-N
-rxn:4:196842:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccccc3N3CCOCC3)ccc2OC(F)(F)F)CC1,HLXGSHJRNQFVJW-UHFFFAOYSA-N
-rxn:4:196926:223755,CC1CCN(CCCOc2ccc(-c3cc(F)ccc3N3CCCCC3=O)cc2F)CC1,QUMXAXRKUHNMRG-UHFFFAOYSA-N
-rxn:4:197039:223588,Cc1cc(-c2ccc(N3CCCCCC3=O)c(F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UJKUDFSVTGUSGF-UHFFFAOYSA-N
-rxn:4:197720:222514,COc1ccc(-c2ccc3c(c2)C(S(N)(=O)=O)CCO3)cc1S(=O)(=O)NC1CCCCC1,FZVXRVWDDQFHHT-UHFFFAOYSA-N
-rxn:4:197721:223755,CC1CCN(CCCOc2ccc(-c3cc4c(c(S(N)(=O)=O)c3)OCCC4)cc2F)CC1,IEDWNOYDPXTCRD-UHFFFAOYSA-N
-rxn:4:197974:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc4c3CCCC4N3CCCCC3)c2)CC1,JFTBEYPDQLLESI-UHFFFAOYSA-N
-rxn:4:197977:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc2c1CCCC2N1CCC(F)(F)CC1,NLLFMYPVSLXMAD-UHFFFAOYSA-N
-rxn:4:198069:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4C(=O)C5C6C=C(Cl)C(c7ccccc76)C5C4=O)c3)cc2F)CC1,DPOYJSJXVKCAGX-UHFFFAOYSA-N
-rxn:4:198069:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C(=O)C5C6C=C(Cl)C(c7ccccc76)C5C4=O)c3)cc2)CC1,PYVCDKWIUURERQ-UHFFFAOYSA-N
-rxn:4:198952:223504,CN1C(=O)C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc21,OLUJTFVTRFJNPK-UHFFFAOYSA-N
-rxn:4:199317:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(C)(C)C(C)=N4)cc21,ZPPIUHICMNTFJU-UHFFFAOYSA-N
-rxn:4:199499:222834,CCC(CC)NC(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)cc1,VREULXSENLIXOS-UHFFFAOYSA-N
-rxn:4:199499:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)cc1,OXLUQRNMRBPDQM-UHFFFAOYSA-N
-rxn:4:199505:222684,CCOC(=O)c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1Cc1cc(Cl)ccc1[N+](=O)[O-],OHXYRNXSRRJHMM-UHFFFAOYSA-N
-rxn:4:199528:222684,CCn1c(SCC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)nc(C(F)(F)F)cc1=O,KNEFBBNABHNFCV-UHFFFAOYSA-N
-rxn:4:199534:224753,CCN(Cc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)nc1)C(=O)OC(C)(C)C,NLVCBNFYNAMQRI-UHFFFAOYSA-N
-rxn:4:199570:225996,CCOc1ncc(C(F)(F)F)cc1-c1cncc(OC[C@H]2CCN2C(=O)OC(C)(C)C)c1,LCBOJXRPYUTLRK-MRXNPFEDSA-N
-rxn:4:199617:225723,CN(C)CCOc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)cn2)cc1Cl,NYLBBMHUEYSBLK-UHFFFAOYSA-N
-rxn:4:199618:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N(CCN(C)C)C2CCOCC2)o1,GWVHYZNNTPCGOW-UHFFFAOYSA-N
-rxn:4:199662:224680,O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(-c3cc(C(=O)N4CCCCC4)ccc3F)cn2)C1,HOKGIMNFFGHLQL-UHFFFAOYSA-N
-rxn:4:199669:226338,O=C(CSC1CCCC1)N1CCC(Oc2ccncc2-c2ccnc(OC3CCCC3)c2)C1,ZBOWJIZMQLUGCQ-UHFFFAOYSA-N
-rxn:4:199671:222684,CCOC(=O)c1cc(C(C)(C)C)nn1Cc1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,LYAQHEIAKSWMJG-UHFFFAOYSA-N
-rxn:4:199690:226844,CC(C)(C)OC(=O)N(Cc1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCCC1,KQEUKSFBPCYULS-UHFFFAOYSA-N
-rxn:4:199694:226248,CCOC(=O)Cc1cccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)c1,JJJLUGHQJRMYPC-UHFFFAOYSA-N
-rxn:4:199709:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,ZUDOMQZAVFIOCN-UHFFFAOYSA-N
-rxn:4:199712:225210,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCC(C)CC2)nc1C,YAVQLQUMLRWXOJ-UHFFFAOYSA-N
-rxn:4:199718:226844,CC(C)Oc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCN(CC(F)(F)F)CC1,NTCTZXLZYOSHKP-UHFFFAOYSA-N
-rxn:4:199757:227103,CN(Cc1ccc(-c2sccc2C2CCCCC2)cc1N1CCCC1)C(=O)OC(C)(C)C,CQIBHEXXJIYHCR-UHFFFAOYSA-N
-rxn:4:199783:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1)C(=O)OC(C)(C)C,ARIHCIOAWQBTMO-UHFFFAOYSA-N
-rxn:4:199783:227089,CN(Cc1ccc(-c2ccncc2C2CCCC2)cc1N1CCOCC1)C(=O)OC(C)(C)C,YSXXGZGWMNCFJA-UHFFFAOYSA-N
-rxn:4:199789:224753,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(S(=O)(=O)N4CCCC4)ccc3C)CC2)ccn1,RXWDRMAEHILHTE-UHFFFAOYSA-N
-rxn:4:199790:223167,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(N2CCNCC2)c1,RQXKLDUZUYUINU-UHFFFAOYSA-N
-rxn:4:199814:223098,COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)cc3)CC2)c1,XZCIQLNLFSLTDY-UHFFFAOYSA-N
-rxn:4:199821:222803,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)c3)C(=O)N2CC)cc1,SYJZRIXNNHRRIW-UHFFFAOYSA-N
-rxn:4:199825:227103,CN(Cc1ccc(-c2sccc2C2CCCCC2)cc1N1CCCCC1)C(=O)OC(C)(C)C,WZUCCUGJPFBVPH-UHFFFAOYSA-N
-rxn:4:199841:226560,CCOc1cc(F)c(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1OC,OBPYUVZGSFECAY-UHFFFAOYSA-N
-rxn:4:199846:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,WXQMZYRKFFJHEZ-UHFFFAOYSA-N
-rxn:4:199854:226236,CCCCOc1ncc(C)cc1-c1ccccc1CCC(=O)N1CCC(N2CCC(OC)C2)CC1,BOCWYZXDLVVQAV-UHFFFAOYSA-N
-rxn:4:199864:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5cccc(OC)c5OC)C4)cc3)c2)CC1,WIWNNRMMLNAQRC-UHFFFAOYSA-N
-rxn:4:199870:222698,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)N2CCC(O)CC2)c(Cl)c1,ZDCZJDBHJMWWOU-UHFFFAOYSA-N
-rxn:4:199870:222994,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(N2CCC(O)CC2)c1,RTVWNQGIKJZFOS-UHFFFAOYSA-N
-rxn:4:199870:223239,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cncc(C2CCCN2)c1,RJSZQOMJCHCCJU-UHFFFAOYSA-N
-rxn:4:199870:223242,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccnc(C2CCNC2)c1,NOLLPPLZZRVOCS-UHFFFAOYSA-N
-rxn:4:199870:223255,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(=O)NOC)c1,IKPUMNAPVBRAGT-UHFFFAOYSA-N
-rxn:4:199870:223279,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCCN2)nc1,DKFXBLRXUVYESB-UHFFFAOYSA-N
-rxn:4:199870:225227,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,PXHGLMBESCSGKK-UHFFFAOYSA-N
-rxn:4:199870:225871,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,NIPATKSJQXILEE-UHFFFAOYSA-N
-rxn:4:199870:226663,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N2CCSCC2)nc1,IXJMGSRRWARWOO-UHFFFAOYSA-N
-rxn:4:199870:227020,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cncc(C#CC2CC2)c1,NTMZXKKOVONNPN-UHFFFAOYSA-N
-rxn:4:199873:223858,COc1cc2c(cc1-c1ccc(C3CCCN3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc1)-c1ccccc1C2(C)C,YCQZVSLDVKHCJI-UHFFFAOYSA-N
-rxn:4:199883:223622,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)CC2)CC1,MAZXWBSMEWSVRA-UHFFFAOYSA-N
-rxn:4:199936:222684,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)sc2cc(OC)ccc21,SKDZPSIXLKEVIF-UHFFFAOYSA-N
-rxn:4:199974:223895,CCN1CCN(CCOc2ccc(-c3ccc4[nH]cc(C(=O)[C@H]5CCCN5C(=O)OCc5ccccc5)c4c3)cc2)CC1,QYDLXZZMGQJLFF-MGBGTMOVSA-N
-rxn:4:199999:227377,CC(C)(C)OC(=O)N=c1c2ccc(-c3cncnc3C3CCCC3)cc2ccn1C(=O)OC(C)(C)C,NAVQFPIBCUTMDG-UHFFFAOYSA-N
-rxn:4:200016:223279,O=C(COc1cccc2c1CCN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cc1)C2=O)N1CCCC1,BCONWIWSJMOQSF-UHFFFAOYSA-N
-rxn:4:200023:225166,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc1)C2=O)N1CCOCC1,CRBSNKCAIVYCBT-UHFFFAOYSA-N
-rxn:4:200043:227957,Cc1nc(C(C)C)ccc1-c1ccc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c2ccccc12,JHSYVCGPJSZZFN-UHFFFAOYSA-N
-rxn:4:200056:224612,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2ccc(OCCN3CCOCC3)cc2)c1,VNOIPPLQWOXMMA-UHFFFAOYSA-N
-rxn:4:200070:223559,COCCOCn1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,MYEPJHMQTPXEJQ-UHFFFAOYSA-N
-rxn:4:200089:223895,CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1-c1ccc(OCCN2CCN(CC)CC2)cc1,DLVPCXMLMCZGMX-UHFFFAOYSA-N
-rxn:4:200104:222540,CCOC(=O)c1cc([N+](=O)[O-])c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1C#N,BOUODRHSYLXEEJ-UHFFFAOYSA-N
-rxn:4:200109:222632,CCOC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc([N+](=O)[O-])c1C#N,QUPCNGJHQKIGOL-UHFFFAOYSA-N
-rxn:4:200111:224257,CCOC(=O)c1c(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)ccc(C#N)c1[N+](=O)[O-],QWMPIWDYNNZQDJ-UHFFFAOYSA-N
-rxn:4:200138:222540,COC(=O)Cc1cc(C#N)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)c([N+](=O)[O-])c1,VNZOOXQHSNJLIB-UHFFFAOYSA-N
-rxn:4:200309:222693,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1,RJOUEGUARWUOEV-UHFFFAOYSA-N
-rxn:4:200323:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC4CN(C(=O)N(C)C)C4)cc3)cc2)CC1,RFGZTEDVRNFPRH-UHFFFAOYSA-N
-rxn:4:200360:224594,CC(=O)N1CCCCC1c1ccccc1-c1cncc(C(=O)OCC(=O)N2CCCCC2C)c1,AWACXIVDMRUPRB-UHFFFAOYSA-N
-rxn:4:200373:222684,CCOC(=O)c1sc(=NC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)n(C)c1C,OSXAVBJMZGGCQW-UHFFFAOYSA-N
-rxn:4:200385:225548,CCOC(=O)c1ccc(CC)cc1-c1cc(F)ccc1CC(=O)N1CCN(CC(F)(F)F)CC1,WOENQGMAVYHYPI-UHFFFAOYSA-N
-rxn:4:200425:222439,CCOC(=O)C1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)nc2)CC1,CHIQXZHLGYXZAH-UHFFFAOYSA-N
-rxn:4:200434:222465,CCCOc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)n1nc(C)cc1C,NRDYOSBHKAOMIH-UHFFFAOYSA-N
-rxn:4:200450:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)CC1,NKZAMBLKAIPUSH-UHFFFAOYSA-N
-rxn:4:200459:224612,O=C(CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,WYKXDRVNYNJOBS-UHFFFAOYSA-N
-rxn:4:200462:222611,CCN1CCN(CCOc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)c2)CC1,OXUSSVHHXBCFQX-UHFFFAOYSA-N
-rxn:4:200475:225917,CCOC(=O)c1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(CCOC)CC3)cc2)c(F)c1,HUBUEPZHAABQAI-UHFFFAOYSA-N
-rxn:4:200505:224821,CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)C1=O,RJXKLSOYNUVDMJ-UHFFFAOYSA-N
-rxn:4:200518:222684,CCN1CCN(C(=O)c2cc(C(=O)OC)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,GQFUSEMQDVDDOU-UHFFFAOYSA-N
-rxn:4:200519:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)nc1,HCFHVDYOJVKUKR-QFIPXVFZSA-N
-rxn:4:200542:224198,CCN1CCN(Cc2ccc(-c3ccc(OC(C)=O)c(C4=NN(C(C)=O)C(c5ccccc5)O4)c3)c(F)c2)CC1,AJLPHIZHGZEQJP-UHFFFAOYSA-N
-rxn:4:200555:223072,CCCNS(=O)(=O)c1ccc(-c2cccc(CC3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,ADPMKJOBSZBBME-UHFFFAOYSA-N
-rxn:4:200558:222684,CC(C)COC(=O)N1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,HXKGWPHQGQTTNR-UHFFFAOYSA-N
-rxn:4:200574:225168,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccc(CN4CCOCC4)c(F)c3)c2)CC1,NFGNJGPOOOTVPD-UHFFFAOYSA-N
-rxn:4:200575:224269,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c(C(F)(F)F)n2)C1,XPOQZBCESBNTKB-UHFFFAOYSA-N
-rxn:4:200594:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CCN3CCN(CC4CC4)CC3)cc2)c1,ORDMBCPOZSJAAA-UHFFFAOYSA-N
-rxn:4:200603:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,NRQHDHDAPIMTCW-UHFFFAOYSA-N
-rxn:4:200606:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,PFXSGQAWCCONLW-UHFFFAOYSA-N
-rxn:4:200633:222633,COc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,CERPQZDNEOGQBM-UHFFFAOYSA-N
-rxn:4:200635:223755,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,DVURWCVKONSJEV-UHFFFAOYSA-N
-rxn:4:200650:226496,CCN(CC)c1cc(F)c(-c2ccccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,BIVRZLCQNPSQQD-UHFFFAOYSA-N
-rxn:4:200662:224575,CC1CCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(N4C(=O)CSC4=O)CC3)c(C#N)c2)CC1,QIJYLBOTUOOFDI-UHFFFAOYSA-N
-rxn:4:200693:226844,CC(C)(C)OC(=O)CN1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,NMRZAURNTWNZSF-UHFFFAOYSA-N
-rxn:4:200722:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1,GODLUIGGTRSWSX-UHFFFAOYSA-N
-rxn:4:200723:222624,CC(C)Cc1cc(-c2ccc(C(=O)CCN3CCN(c4cccc(Cl)c4)CC3)cc2)cc(C2CCNCC2)n1,HMQZIPWHELBSBV-UHFFFAOYSA-N
-rxn:4:200723:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)CCN4CCN(c5cccc(Cl)c5)CC4)cc3)ccc2F)CC1,UIQKYPALTYWNED-UHFFFAOYSA-N
-rxn:4:200725:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2)CC1,KRGNYIATDCAWLG-UHFFFAOYSA-N
-rxn:4:200727:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,LXPKPFCWTQETOM-UHFFFAOYSA-N
-rxn:4:200733:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cn2)CC1,UQRYRWXVPIHFNW-UHFFFAOYSA-N
-rxn:4:200755:226511,COc1cc(-c2cc(Cl)cnc2OCC2CC2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,DBWPJLWPKJOLSU-UHFFFAOYSA-N
-rxn:4:200755:226865,COc1cc(-c2ccc(Cl)c(OC(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,NQQQJXDAGICSGY-UHFFFAOYSA-N
-rxn:4:200760:225803,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(OC2CCOCC2)c1,LBBVJSOERYWXJB-UHFFFAOYSA-N
-rxn:4:200763:226844,COc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,YGHQWTCSGUTTSE-UHFFFAOYSA-N
-rxn:4:200773:222989,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(N5CCNCC5)cc4C)cc3)=NN2S(C)(=O)=O)c1,QFWMPBWEJSSADD-UHFFFAOYSA-N
-rxn:4:200777:223960,CCN1CCN(C(=O)c2cc(-c3cncc(N(S(=O)(=O)c4ccc(C)cc4)S(=O)(=O)c4ccc(C)cc4)c3)ccc2F)CC1,YVVGICRPAGIBBH-UHFFFAOYSA-N
-rxn:4:200787:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)cc3Cl)c(F)c2)CC1,KKMZAZOUAPSOSR-NRFANRHFSA-N
-rxn:4:200789:224771,Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2F)cc1S(=O)(=O)N1CCCC1,POZUDSIPFKYTIM-UHFFFAOYSA-N
-rxn:4:200811:222540,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cccc(C(=O)NCCN3CCCCC3)c2)CC1,VFBCNACTSZSGAP-UHFFFAOYSA-N
-rxn:4:200822:224195,CCN1CCN(Cc2cc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,WJHPBMFFUVBLLT-UHFFFAOYSA-N
-rxn:4:200824:226865,Cc1ccc(-c2ccc(Cl)c(OC(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CYLUCZKKPKOGFM-UHFFFAOYSA-N
-rxn:4:200834:222639,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)o3)C(c3ccc(C)cc3)C2)cc1,BAVOTJBGQBXEBS-IHOKFDBFSA-N
-rxn:4:200835:222458,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2F)ccc1OCc1ccc(Cl)cc1,LHCYKGNBNXFYLT-UHFFFAOYSA-N
-rxn:4:200848:224009,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C2CC2)cc1S(=O)(=O)N1CCOCC1,XDSRDKBYZKWYSM-UHFFFAOYSA-N
-rxn:4:200854:226654,COC(=O)C1CCCN(Cc2ccc(-c3csc(N4CCC(C)CC4)n3)cc2N2CCOCC2)C1,CZALHRNSOQNNIK-UHFFFAOYSA-N
-rxn:4:200855:222708,Cc1cc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1,CQJZUIONAHYHEN-UHFFFAOYSA-N
-rxn:4:200863:224770,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)cc(S(=O)(=O)N2CCCC2)c1,IQXZHFKBYGEZKW-QHCPKHFHSA-N
-rxn:4:200866:223533,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1,BDQRGZMDXIMRNF-UHFFFAOYSA-N
-rxn:4:200871:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)CC1,QKAWEANCSZTAKZ-UHFFFAOYSA-N
-rxn:4:200878:226352,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(C)c(OC(C)C)cc4Cl)o2)CC3)cc1,PSNPBUXSZFXEBR-UHFFFAOYSA-N
-rxn:4:200879:223609,COc1ccc(-c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)cc1CN1CCCC(C(=O)N2CCCCC2)C1,HNSBOEGRKRUKCX-UHFFFAOYSA-N
-rxn:4:200880:223279,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,LILNTSQVGJSFJO-UHFFFAOYSA-N
-rxn:4:200888:224612,COc1ccc(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,OIDIWNTXAQILLN-UHFFFAOYSA-N
-rxn:4:200897:223136,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccncc1C1CCCNC1,FIRZVJRHOZRYPY-UHFFFAOYSA-N
-rxn:4:200924:224078,CCN(CC)C(=O)CN1C(=O)C(=O)c2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc21,QRXJLVYLGMNYER-UHFFFAOYSA-N
-rxn:4:200944:223474,C[Si](C)(C)CCOCn1ccc2cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cnc21,UETNYOUYGQMYPJ-UHFFFAOYSA-N
-rxn:4:200963:222540,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)sc2cc(C)ccc21,LRWCQEQZBYGYQJ-UHFFFAOYSA-N
-rxn:4:200968:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccccc3F)n4CC(=O)OC)cc2)CC1,QVDVNHJCNBHNCP-UHFFFAOYSA-N
-rxn:4:201012:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(C(C)(C)C#N)cn(C(=O)OC(C)(C)C)c3c2)s1,HQMQNJRNJGGQJO-UHFFFAOYSA-N
-rxn:4:201031:228266,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccc(C)c(Cl)c3SC)ccc21,OXFHIICMFLRYPS-UHFFFAOYSA-N
-rxn:4:201034:225200,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3ccc(F)c(OC4CCCC4)c3F)ccc21)c1ccccc1,RXKPHOACDBSSFI-UHFFFAOYSA-N
-rxn:4:201052:223539,COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)cc1,NXESXDGHNWTTCA-UHFFFAOYSA-N
-rxn:4:201056:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(SCc4ccc(C(F)(F)F)cc4)nc4c(c3=O)SCC4)cc2)CC1,UBWRGWBNLUDTML-UHFFFAOYSA-N
-rxn:4:201066:222632,COCCCn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)nc(=S)c2c1CCCC2,TXNPFKFPVCTESS-UHFFFAOYSA-N
-rxn:4:201091:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)c4oc(=O)c(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4c3)cc2)CC1,SLSCGXZYNJSPFI-UHFFFAOYSA-N
-rxn:4:201106:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4Cc4cccc5ccccc45)cc3OC)c(F)c2)CC1,HUXOMCBRVIILHW-UHFFFAOYSA-N
-rxn:4:201113:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,DGFCMFDEVCXXTD-UHFFFAOYSA-N
-rxn:4:201118:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,VUEHKPGJDHLAAI-UHFFFAOYSA-N
-rxn:4:201140:224612,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)c1,ZPJLKVMJAXYXDF-UHFFFAOYSA-N
-rxn:4:201140:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CN3C(=O)N(c4cc(OC)cc(OC)c4)S(=O)(=O)c4ccccc43)cc2)cc1,LUQRVCDAMVBJHU-UHFFFAOYSA-N
-rxn:4:201144:225218,CC1CCCN(c2ncc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)CC3)C(=O)CO4)cc2Cl)C1,IGBBQTMKYPURQL-UHFFFAOYSA-N
-rxn:4:201165:222540,CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,ABIPVPUNPIIQON-UHFFFAOYSA-N
-rxn:4:201171:222404,O=C1NC(=O)C(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)N1,FIQOTAXXBJANJQ-UHFFFAOYSA-N
-rxn:4:201171:222409,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1S(N)(=O)=O,UPGVWEYXZGIFHN-UHFFFAOYSA-N
-rxn:4:201171:222418,NS(=O)(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,VIUFVCSVSGNROG-UHFFFAOYSA-N
-rxn:4:201171:222421,NS(=O)(=O)c1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,BCPCBKNODPWMRB-UHFFFAOYSA-N
-rxn:4:201171:222480,Cc1cccc(NC(=O)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc2F)c1C,GTFRXGLGEOSOPE-UHFFFAOYSA-N
-rxn:4:201171:222496,O=C(N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,VBDXWIUTOMLZOF-UHFFFAOYSA-N
-rxn:4:201171:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,IQDIBSFQJZGKGS-UHFFFAOYSA-N
-rxn:4:201171:222532,Cc1ccc(C)c(NC(=O)c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)c1,SCXWHBXDGGZJIN-UHFFFAOYSA-N
-rxn:4:201171:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,QGWJVXCICFEWNS-UHFFFAOYSA-N
-rxn:4:201171:222550,O=C(NCc1ccccc1)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,YONWFEOKGQJWJF-UHFFFAOYSA-N
-rxn:4:201171:222554,O=C(NCc1ccccc1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,QABYCBHXVPVLNY-UHFFFAOYSA-N
-rxn:4:201171:222574,O=C(NCc1ccccc1)c1ccc(Cl)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,UDOWYKARVHMJGF-UHFFFAOYSA-N
-rxn:4:201171:222594,Cc1ccc(NS(=O)(=O)c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)cc1,YBSRAACNZAJQJT-UHFFFAOYSA-N
-rxn:4:201171:222597,O=C(Nc1ccccc1Cl)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,KTXVHSQWZSUXBH-UHFFFAOYSA-N
-rxn:4:201171:222599,O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F,FIDOFGYHPIESPT-UHFFFAOYSA-N
-rxn:4:201171:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,ULDQWNUKSSLTRU-UHFFFAOYSA-N
-rxn:4:201171:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,ZMWHFECIJDBKAG-UHFFFAOYSA-N
-rxn:4:201171:222641,O=C(NCc1ccccn1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,GVLYSOKUALCBNL-UHFFFAOYSA-N
-rxn:4:201171:222650,Cc1ccnc(NC(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)c1,MMYJCYXQSPAQFZ-UHFFFAOYSA-N
-rxn:4:201171:222659,O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,JQAVQANXIYAARC-UHFFFAOYSA-N
-rxn:4:201171:222667,O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,ZZDZQZIFUWPEJC-UHFFFAOYSA-N
-rxn:4:201171:222684,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,FNGCKQVGJNTWJC-UHFFFAOYSA-N
-rxn:4:201171:222690,O=C(Nc1ccccn1)c1cc(F)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,QVARBKSMFOANED-UHFFFAOYSA-N
-rxn:4:201171:222698,O=C(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl)N1CCC(O)CC1,HCKIPJCHPQKFPR-UHFFFAOYSA-N
-rxn:4:201171:222729,CCCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCCNC2)n1,GGCXBQLPIMOCDV-UHFFFAOYSA-N
-rxn:4:201171:222730,CCCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)n1,JRIZMSXIMVXKML-UHFFFAOYSA-N
-rxn:4:201171:222737,O=C(Nc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1)c1ccccc1,XQFTXGVIUCBZGA-UHFFFAOYSA-N
-rxn:4:201171:222739,O=C(N1CCN=C1SCc1ccc(-c2ccc(NCc3cccc(F)c3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,VLKPQCXWLBKUQE-UHFFFAOYSA-N
-rxn:4:201171:222766,O=C(Nc1cccnc1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,WIGWUQFACYVOMV-UHFFFAOYSA-N
-rxn:4:201171:222767,O=C(Nc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)c1cccnc1,BQQOIBNUELMBOY-UHFFFAOYSA-N
-rxn:4:201171:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,WWZRDGBIFAFSCW-UHFFFAOYSA-N
-rxn:4:201171:222803,O=C(N1CCN=C1SCc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1)C12CC3CC(CC(C3)C1)C2,VUBAKZDMQJSQFJ-UHFFFAOYSA-N
-rxn:4:201171:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,AFESCAPMKMIRRO-UHFFFAOYSA-N
-rxn:4:201171:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1,SYJJIKLNBLHGCW-UHFFFAOYSA-N
-rxn:4:201171:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,MEESRCRUHSBGBS-UHFFFAOYSA-N
-rxn:4:201171:222979,O=C(N1CCN=C1SCc1ccc(-c2cccc(Nc3ccccn3)c2)cc1)C12CC3CC(CC(C3)C1)C2,NGMPUSSRSHRZGJ-UHFFFAOYSA-N
-rxn:4:201171:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,GTMWAGYAMYNKCP-UHFFFAOYSA-N
-rxn:4:201171:223025,CCCNC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl,YAJFROUUSMZBKO-UHFFFAOYSA-N
-rxn:4:201171:223037,O=C(NC1CC1)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl,DMGCVBMQVYFLLM-UHFFFAOYSA-N
-rxn:4:201171:223077,O=C(N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ICWWMSKTVREIGN-UHFFFAOYSA-N
-rxn:4:201171:223121,O=C(NC1CC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,XXBILLRJEZDKGO-UHFFFAOYSA-N
-rxn:4:201171:223179,CONC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,OZSJGBKSHCABPS-UHFFFAOYSA-N
-rxn:4:201171:223204,N#Cc1ccc2[nH]c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1,HNHYHCSPGQFWNV-UHFFFAOYSA-N
-rxn:4:201171:223206,N#Cc1ccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1,URQUVKJXFHDFKL-UHFFFAOYSA-N
-rxn:4:201171:223209,COc1cccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c12,FUSLYDROTDGKFK-UHFFFAOYSA-N
-rxn:4:201171:223211,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2cc[nH]c12,HMXKSYOIVBIVOL-UHFFFAOYSA-N
-rxn:4:201171:223304,Cc1cc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc2[nH]1,ICLISXLQMGEDQA-UHFFFAOYSA-N
-rxn:4:201171:223361,CC(=NO)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,RNXVIPUFXDQSON-UHFFFAOYSA-N
-rxn:4:201171:223362,C/C(=N\O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,RNXVIPUFXDQSON-ZCTHSVRISA-N
-rxn:4:201171:223396,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(c2)NCC3)cc1)C12CC3CC(CC(C3)C1)C2,YELYOXYUCDYNFD-UHFFFAOYSA-N
-rxn:4:201171:223400,CNCc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,ZBWNZGUODVMUFQ-UHFFFAOYSA-N
-rxn:4:201171:223422,O=C(N1CCN=C1SCc1ccc(-c2ccc(/C=N/O)cc2)cc1)C12CC3CC(CC(C3)C1)C2,LOKPIZYOFRRMNP-OCSSWDANSA-N
-rxn:4:201171:223424,O=C(N1CCN=C1SCc1ccc(-c2ccc(C=NO)cc2)cc1)C12CC3CC(CC(C3)C1)C2,LOKPIZYOFRRMNP-UHFFFAOYSA-N
-rxn:4:201171:223428,O=C(N1CCN=C1SCc1ccc(-c2ccc(/C=N\O)cc2)cc1)C12CC3CC(CC(C3)C1)C2,LOKPIZYOFRRMNP-LQNQUEJISA-N
-rxn:4:201171:223449,O=C(N1CCN=C1SCc1ccc(-c2cc(=O)[nH]cc2F)cc1)C12CC3CC(CC(C3)C1)C2,RFQRYRRMCMFJOR-UHFFFAOYSA-N
-rxn:4:201171:223476,O=C(N1CCN=C1SCc1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,XCTVOVSFGNLYHS-UHFFFAOYSA-N
-rxn:4:201171:223480,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SLEZWXFRZMJWEH-UHFFFAOYSA-N
-rxn:4:201171:223488,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cc(Oc3ccccc3)ccc21,QUGSZZPMHIGLSE-UHFFFAOYSA-N
-rxn:4:201171:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,FDCIKCPZZUPVPB-UHFFFAOYSA-N
-rxn:4:201171:223515,Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)cc1,CYUGWJACLCRXRY-UHFFFAOYSA-N
-rxn:4:201171:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,LYZJXLLUJRANRD-UHFFFAOYSA-N
-rxn:4:201171:223524,COc1ccc2c(c1)c(-c1ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc1)cn2S(=O)(=O)c1ccc(C)cc1,HLQSWEVISCOINU-UHFFFAOYSA-N
-rxn:4:201171:223578,O=C(N1CCN=C1SCc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,AGXZPUMIBYCDJW-UHFFFAOYSA-N
-rxn:4:201171:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,VRWQBXGMGAHDKR-UHFFFAOYSA-N
-rxn:4:201171:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1,HVEGCPGRNDLETL-UHFFFAOYSA-N
-rxn:4:201171:223652,COc1ccc(Cl)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)n(C(=O)OC(C)(C)C)c12,YTKWNTLZAVJTQO-UHFFFAOYSA-N
-rxn:4:201171:223657,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c3cnccc32)cc1,NSBNFRQQGRGRPS-UHFFFAOYSA-N
-rxn:4:201171:223684,O=C(N1CCN=C1SCc1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2,WJGYTSQHPARWJL-UHFFFAOYSA-N
-rxn:4:201171:223729,CC(C)(C)c1ccc(OCc2ccccc2)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,XTCSRRRZIBBUMK-UHFFFAOYSA-N
-rxn:4:201171:223737,O=C(N1CCN=C1SCc1ccc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ADWOTMPJXJIIHA-UHFFFAOYSA-N
-rxn:4:201171:223778,O=C(N1CCN=C1SCc1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,QPXQSPMFIKAMNQ-UHFFFAOYSA-N
-rxn:4:201171:223783,O=C(N1CCN=C1SCc1ccc(-c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)cc1)C12CC3CC(CC(C3)C1)C2,IIGXPVCAKGKTLA-UHFFFAOYSA-N
-rxn:4:201171:223786,CN1CCN(CCCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,AYSMTDYNWZGRGS-UHFFFAOYSA-N
-rxn:4:201171:223798,O=C(N1CCN=C1SCc1ccc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ILEQAPLDLPJHTQ-UHFFFAOYSA-N
-rxn:4:201171:223809,O=C(N1CCN=C1SCc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,WPCUMIVEQNGIGO-UHFFFAOYSA-N
-rxn:4:201171:223816,C[Si](C)(C)CCOCn1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2c(Cl)ccnc21,ZBAKTMPMZUNFKA-UHFFFAOYSA-N
-rxn:4:201171:223819,O=C(N1CCN=C1SCc1ccc(-c2cc3cnccc3n2S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,GPAMVWCLNYYNDD-UHFFFAOYSA-N
-rxn:4:201171:223821,O=C(N1CCN=C1SCc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,MWVWUFUJADIYOE-UHFFFAOYSA-N
-rxn:4:201171:223825,O=C(N1CCN=C1SCc1ccc(-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)cc1)C12CC3CC(CC(C3)C1)C2,RNLJSVPSUPXEHU-UHFFFAOYSA-N
-rxn:4:201171:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,ZJRQJCDWHHGPBW-UHFFFAOYSA-N
-rxn:4:201171:223833,O=C(N1CCN=C1SCc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ICFKFITXYZKVJU-UHFFFAOYSA-N
-rxn:4:201171:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,HKTZVIAVSSHCBX-UHFFFAOYSA-N
-rxn:4:201171:223841,Cc1cc(F)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KCJRCAQZIUEHRA-UHFFFAOYSA-N
-rxn:4:201171:223870,CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,CVNZQIXLMBHNSC-UHFFFAOYSA-N
-rxn:4:201171:223894,CN1CCN(CCCOc2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,FJYTUQOVWUZZCF-UHFFFAOYSA-N
-rxn:4:201171:223925,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c(OCc2ccccc2)c1F,BCNFDCDKTRELNS-UHFFFAOYSA-N
-rxn:4:201171:223932,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2c(Cl)cccc21,RSSAGLDNUNITCJ-UHFFFAOYSA-N
-rxn:4:201171:223933,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cc(F)ccc21,YVKRMAJAEXSGGT-UHFFFAOYSA-N
-rxn:4:201171:223952,CN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,AZJUDRYVOXNCOZ-UHFFFAOYSA-N
-rxn:4:201171:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F,WFFLUCLAWKPKOM-UHFFFAOYSA-N
-rxn:4:201171:223962,O=C(N1CCN=C1SCc1ccc(-c2c(F)ccc(OCc3ccccc3F)c2F)cc1)C12CC3CC(CC(C3)C1)C2,ZTPIVCQMBQWGLV-UHFFFAOYSA-N
-rxn:4:201171:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,ZEGHRJZFWUSBRQ-UHFFFAOYSA-N
-rxn:4:201171:223985,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1S(=O)(=O)N1CCCCC1,TWSXPPUCGRCXMC-UHFFFAOYSA-N
-rxn:4:201171:223987,O=C(N1CCN=C1SCc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,LMUOALUIORIUQV-UHFFFAOYSA-N
-rxn:4:201171:224002,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,BSGXGVCMMXXRIK-UHFFFAOYSA-N
-rxn:4:201171:224034,CCCCc1ccc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,ABIYGXIAIPEIMJ-UHFFFAOYSA-N
-rxn:4:201171:224053,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1OCc1ccccc1,PWQAHDKJAWQVPJ-UHFFFAOYSA-N
-rxn:4:201171:224054,CC(C)Oc1ccc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,ZOTIILIQDFAGFE-UHFFFAOYSA-N
-rxn:4:201171:224066,CC(C)(C)c1cc(-c2ccncc2)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,MHDJKZARQFRWDR-UHFFFAOYSA-N
-rxn:4:201171:224127,CCN1CCN(C(C)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,NKQFGKHDXTYAMP-UHFFFAOYSA-N
-rxn:4:201171:224138,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OCc1cccc(Cl)c1,VVZFFWYQVYYEML-UHFFFAOYSA-N
-rxn:4:201171:224141,Cc1ccc(OCc2ccccc2)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1F,QHJHRRUISNKIIC-UHFFFAOYSA-N
-rxn:4:201171:224155,CN1CCN(c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc(C3CC3)c2)CC1,UOYVKLUBCPSKGX-UHFFFAOYSA-N
-rxn:4:201171:224180,CN1CCN(CCOc2ccccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1,NAUMVZCIUJSQBP-UHFFFAOYSA-N
-rxn:4:201171:224182,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OCCN1CCOCC1,KNBOOWAXROEYPP-UHFFFAOYSA-N
-rxn:4:201171:224194,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,WUSLAUCMDSWUII-UHFFFAOYSA-N
-rxn:4:201171:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,YZSDUFLAEJNWMI-UHFFFAOYSA-N
-rxn:4:201171:224207,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCc3cccc(F)c3F)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ZQDKCSDTBSOTEZ-UHFFFAOYSA-N
-rxn:4:201171:224216,O=C(N1CCN=C1SCc1ccc(-c2ccccc2COc2cc(F)cc(F)c2)cc1)C12CC3CC(CC(C3)C1)C2,YYOXCLKJRXGAMJ-UHFFFAOYSA-N
-rxn:4:201171:224227,O=C(N1CCN=C1SCc1ccc(-c2cc(F)c(OCc3ccccc3)cc2F)cc1)C12CC3CC(CC(C3)C1)C2,NHMNKTSKRWDNKD-UHFFFAOYSA-N
-rxn:4:201171:224241,O=C(N1CCN=C1SCc1ccc(-c2ccc(COc3cccc(F)c3F)cc2)cc1)C12CC3CC(CC(C3)C1)C2,IEQGBSNYRQWURU-UHFFFAOYSA-N
-rxn:4:201171:224259,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,MWKTXEYURKJWTI-UHFFFAOYSA-N
-rxn:4:201171:224268,CC(C)(C)OC(=O)n1ncc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,QJJINWXAYMBHNF-UHFFFAOYSA-N
-rxn:4:201171:224274,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cnccc21,FROUYHPJFWEZCT-UHFFFAOYSA-N
-rxn:4:201171:224275,CC(C)(C)OC(=O)n1nc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21,KXHDWXTVBXXDKQ-UHFFFAOYSA-N
-rxn:4:201171:224286,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,BQDMEWZIFOZDLN-UHFFFAOYSA-N
-rxn:4:201171:224292,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1S(=O)(=O)OCC(C)(C)C,YHXXFPQHTRLAFJ-UHFFFAOYSA-N
-rxn:4:201171:224299,O=C(N1CCN=C1SCc1ccc(-c2cc([N+](=O)[O-])ccc2[Se]c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,ZEZHTVSGDZUNDQ-UHFFFAOYSA-N
-rxn:4:201171:224323,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1S(=O)(=O)N1CCCC1,UNESGKXNWMNQJV-UHFFFAOYSA-N
-rxn:4:201171:224385,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccccc3C(F)(F)F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,HHAMYNLNMLHMLM-UHFFFAOYSA-N
-rxn:4:201171:224386,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RTEYBPNEYFIWGL-UHFFFAOYSA-N
-rxn:4:201171:224396,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1S(=O)(=O)N1CCOCC1,NGPYXJLGEIVKKB-UHFFFAOYSA-N
-rxn:4:201171:224419,CC1(C)c2ccccc2-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,KOBFCAFHMNWYAF-UHFFFAOYSA-N
-rxn:4:201171:224427,CCn1c2ccccc2c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,JNFOLUBLEIACSR-UHFFFAOYSA-N
-rxn:4:201171:224467,CC(C)(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccs2)c1,XJHDUCWUTAKWNR-UHFFFAOYSA-N
-rxn:4:201171:224481,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,OZWMTOFBQLEQQR-UHFFFAOYSA-N
-rxn:4:201171:224497,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,XDOFGTAKYKWXRT-UHFFFAOYSA-N
-rxn:4:201171:224570,CC(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)N1CCN(C)CC1,YLCZYVCUISQSLW-UHFFFAOYSA-N
-rxn:4:201171:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)c1,QYLOMCMSBZZWKQ-UHFFFAOYSA-N
-rxn:4:201171:224602,O=C(N1CCN=C1SCc1ccc(-c2ccc3cnn(C4CCCCO4)c3c2)cc1)C12CC3CC(CC(C3)C1)C2,WPJAVMGJSNROHZ-UHFFFAOYSA-N
-rxn:4:201171:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,BWSZDEGVSRGSIP-UHFFFAOYSA-N
-rxn:4:201171:224628,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)cnc2OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,QGHVRKVUNNQLDO-UHFFFAOYSA-N
-rxn:4:201171:224642,O=C(N1CCN=C1SCc1ccc(-c2cnc(OCc3ccccc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,MFOXXSORBNHLLR-UHFFFAOYSA-N
-rxn:4:201171:224692,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,MSPSKWAZSXKWFA-UHFFFAOYSA-N
-rxn:4:201171:224813,O=C(N1CCN=C1SCc1ccc(-c2ccc(-n3cccn3)c(C(F)(F)F)c2)cc1)C12CC3CC(CC(C3)C1)C2,UPHGMUGZGXSTRY-UHFFFAOYSA-N
-rxn:4:201171:224868,O=C(N1CCN=C1SCc1ccc(-c2cccc(OCC3CCCCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,FRGQEUPYENFSKV-UHFFFAOYSA-N
-rxn:4:201171:224886,CC1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,HACXFQPLOBYZBS-UHFFFAOYSA-N
-rxn:4:201171:224889,N#Cc1ccc(-c2ccccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,FYJJUNPAVHTURF-UHFFFAOYSA-N
-rxn:4:201171:224903,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1-c1ccccc1,BIGKWPYZWLWJQQ-UHFFFAOYSA-N
-rxn:4:201171:224924,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(c2)Sc2ccccc2S3)cc1)C12CC3CC(CC(C3)C1)C2,IVYZXBWGGHVPKD-UHFFFAOYSA-N
-rxn:4:201171:224927,COC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12,CBWVEVXUMAICRN-UHFFFAOYSA-N
-rxn:4:201171:224934,O=C(N1CCN=C1SCc1ccc(-c2cccc(OCCN3CCCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,IEPDDAFYQXFLMS-UHFFFAOYSA-N
-rxn:4:201171:224938,O=C(N1CCN=C1SCc1ccc(-c2cccc(COCc3cccs3)c2)cc1)C12CC3CC(CC(C3)C1)C2,DFSBMTUQZPMLIK-UHFFFAOYSA-N
-rxn:4:201171:224947,O=C(N1CCN=C1SCc1ccc(-c2cccc(OCc3ccccn3)c2)cc1)C12CC3CC(CC(C3)C1)C2,KGLJKPNEPQJFRM-UHFFFAOYSA-N
-rxn:4:201171:224971,CN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,VHHAZKHSCVIYQV-UHFFFAOYSA-N
-rxn:4:201171:225022,COc1cccc(-c2ncccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,CYOBDDZLOGGKRC-UHFFFAOYSA-N
-rxn:4:201171:225032,O=C(N1CCN=C1SCc1ccc(-c2ccc(Oc3ccccc3F)cc2)cc1)C12CC3CC(CC(C3)C1)C2,HQVXHPGSMTVLGB-UHFFFAOYSA-N
-rxn:4:201171:225070,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccc(F)cc3)c(F)c2)cc1)C12CC3CC(CC(C3)C1)C2,PRNXISFNHIRSNF-UHFFFAOYSA-N
-rxn:4:201171:225074,COc1cccc2c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(C(C)C)nn12,JSHCEAQIAFNFME-UHFFFAOYSA-N
-rxn:4:201171:225090,CCOCc1cc(OC)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1,ZXOIXBFMHMDZBE-UHFFFAOYSA-N
-rxn:4:201171:225098,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCCC3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RWNODEAMPBNZQT-UHFFFAOYSA-N
-rxn:4:201171:225112,CCOc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(Cl)c1OC(C)C,MLSUBDIJIGQJRW-UHFFFAOYSA-N
-rxn:4:201171:225141,Cc1ccn(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2C#N)n1,RTGLQDBMPGKGNL-UHFFFAOYSA-N
-rxn:4:201171:225216,Cc1cncc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)c2)n1,ICCPYTBBXZTGJM-UHFFFAOYSA-N
-rxn:4:201171:225220,CC1CCCCN1c1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,MJLCJLBGURMVBN-UHFFFAOYSA-N
-rxn:4:201171:225227,CC1CCN(c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,VLSPEEFFEJEWKA-UHFFFAOYSA-N
-rxn:4:201171:225229,Cc1cccc(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)n2)c1,QIVKMUVOUKELBJ-UHFFFAOYSA-N
-rxn:4:201171:225244,O=C(N1CCN=C1SCc1ccc(-c2cncc(-c3cccc(F)c3F)c2)cc1)C12CC3CC(CC(C3)C1)C2,SXJHBWRVFAFWDF-UHFFFAOYSA-N
-rxn:4:201171:225245,O=C(N1CCN=C1SCc1ccc(-c2cncc(-c3ccc(F)cc3F)c2)cc1)C12CC3CC(CC(C3)C1)C2,OZCAWHDIEXYHKK-UHFFFAOYSA-N
-rxn:4:201171:225255,O=C(N1CCN=C1SCc1ccc(-c2cc(C(F)(F)F)c3ncccc3c2)cc1)C12CC3CC(CC(C3)C1)C2,XNTDQYQHBHWMPK-UHFFFAOYSA-N
-rxn:4:201171:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,LNQJIMDXJYGFLT-UHFFFAOYSA-N
-rxn:4:201171:225396,Cc1ccccc1-c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,WIZUWOPEIATIED-UHFFFAOYSA-N
-rxn:4:201171:225406,Cc1ccc(-c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)cc1,YZCJOEYDWXDJES-UHFFFAOYSA-N
-rxn:4:201171:225451,O=C(N1CCN=C1SCc1ccc(-c2ccc(SC3CCCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,IPCRWLCOJKYLAU-UHFFFAOYSA-N
-rxn:4:201171:225458,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2ccccn2)c1,ROWPQPXZNRYFBT-UHFFFAOYSA-N
-rxn:4:201171:225477,Cc1cccc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)c1,SFRUEGVSKPJMCQ-UHFFFAOYSA-N
-rxn:4:201171:225488,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)ccc2-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,XKCTTXIVPVVPHZ-UHFFFAOYSA-N
-rxn:4:201171:225491,O=C(N1CCN=C1SCc1ccc(-c2cc(F)ccc2-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,TZDDPIDYKHLDHL-UHFFFAOYSA-N
-rxn:4:201171:225495,O=C(N1CCN=C1SCc1ccc(-c2ccccc2-c2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,QJJALSJMKBZWRV-UHFFFAOYSA-N
-rxn:4:201171:225496,O=C(N1CCN=C1SCc1ccc(-c2cccc(-c3ccccc3Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,FUEFDISOCPROPL-UHFFFAOYSA-N
-rxn:4:201171:225502,O=C(N1CCN=C1SCc1ccc(-c2ccc(Cl)cc2-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,ORBRBOLFHJCAPZ-UHFFFAOYSA-N
-rxn:4:201171:225503,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccccc3Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2,PNGRLLOTQAVDQV-UHFFFAOYSA-N
-rxn:4:201171:225513,COc1ccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc2c1Cl,LMYIBQHDKYPJEK-UHFFFAOYSA-N
-rxn:4:201171:225635,Cc1cc(C)n(-c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)n1,PGGLWEJINKQWAV-UHFFFAOYSA-N
-rxn:4:201171:225642,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cnccn2)c1,ZMUBVYRLNOZZFY-UHFFFAOYSA-N
-rxn:4:201171:225643,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-n2cnc(C)c2)c1,XERJHUCPZXXZSI-UHFFFAOYSA-N
-rxn:4:201171:225644,Cc1cccc(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)c1,WDGYFLVKHVNBLP-UHFFFAOYSA-N
-rxn:4:201171:225659,O=C(N1CCN=C1SCc1ccc(-c2c(-c3ccccc3)ccnc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,VDCANNVYKYBGAT-UHFFFAOYSA-N
-rxn:4:201171:225680,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)cc(-c3ccccn3)c2)cc1)C12CC3CC(CC(C3)C1)C2,KOKZISNOTYAINY-UHFFFAOYSA-N
-rxn:4:201171:225681,O=C(N1CCN=C1SCc1ccc(-c2ccnc(-c3ccccc3F)c2)cc1)C12CC3CC(CC(C3)C1)C2,MYJKWPOPVPUISN-UHFFFAOYSA-N
-rxn:4:201171:225696,O=C(N1CCN=C1SCc1ccc(-c2cncc(-c3ccccc3Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,LAYMFQGCQXPCDV-UHFFFAOYSA-N
-rxn:4:201171:225701,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3cccc(F)c3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RAICUOXIXVYPPX-UHFFFAOYSA-N
-rxn:4:201171:225707,O=C(N1CCN=C1SCc1ccc(-c2cccc3c([N+](=O)[O-])cccc23)cc1)C12CC3CC(CC(C3)C1)C2,CXUVPDNUUOZXSI-UHFFFAOYSA-N
-rxn:4:201171:225719,COCCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OC,ONQKOJSRDINYNU-UHFFFAOYSA-N
-rxn:4:201171:225742,CCCOc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(Cl)c1OC,XXDRRECTHYYZPQ-UHFFFAOYSA-N
-rxn:4:201171:225776,CCCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C(F)(F)F)c1,ATUAZBJMEAEZTQ-UHFFFAOYSA-N
-rxn:4:201171:225777,N#Cc1ccccc1-n1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,DXCDQHWJZFQDLX-UHFFFAOYSA-N
-rxn:4:201171:225811,O=C(N1CCN=C1SCc1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,WIAWCOQBDIFWDU-UHFFFAOYSA-N
-rxn:4:201171:225819,O=C(N1CCN=C1SCc1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1)C12CC3CC(CC(C3)C1)C2,OJRJHYCOVMXARA-UHFFFAOYSA-N
-rxn:4:201171:225828,O=C(N1CCN=C1SCc1ccc(-c2cnc(N3CCCCCC3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,REJGDIOOXWJXTL-UHFFFAOYSA-N
-rxn:4:201171:225836,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccccc3F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,PADMCPIBACGWHX-UHFFFAOYSA-N
-rxn:4:201171:225838,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccccc3Cl)nc2)cc1)C12CC3CC(CC(C3)C1)C2,ZPWIPBNLNCELHP-UHFFFAOYSA-N
-rxn:4:201171:225840,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccncc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,ONDZVJSZFCJRNN-UHFFFAOYSA-N
-rxn:4:201171:225848,Cc1cn(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)c2)cn1,JCNKSQYTWSNCRK-UHFFFAOYSA-N
-rxn:4:201171:225850,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3cccnc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,IFQFOONVJFFKSW-UHFFFAOYSA-N
-rxn:4:201171:225861,Cc1cnn(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)c2)c1,KDPCMAFSYFPVTE-UHFFFAOYSA-N
-rxn:4:201171:225871,O=C1C=CC(=O)N1c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,SQIXTZIWYKLUCV-UHFFFAOYSA-N
-rxn:4:201171:225958,Cc1ccn(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)n1,NVCDOTPBIDSNGI-UHFFFAOYSA-N
-rxn:4:201171:225964,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3cncnc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,KOZPVWYDEKJQAK-UHFFFAOYSA-N
-rxn:4:201171:225971,Cc1ccn(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cnc2Cl)n1,UFLCEJUXIJWNCV-UHFFFAOYSA-N
-rxn:4:201171:225972,Cc1cnn(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cnc2Cl)c1,CHCFCHJTNUEDGX-UHFFFAOYSA-N
-rxn:4:201171:226054,O=C(N1CCN=C1SCc1ccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,AQYNHFGNPCAVAC-UHFFFAOYSA-N
-rxn:4:201171:226079,CC(C)c1ccc2sc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1,MIXYABBOSYVCHD-UHFFFAOYSA-N
-rxn:4:201171:226103,CCCOc1c(C)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C,MKLNKEICGYIHJH-UHFFFAOYSA-N
-rxn:4:201171:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,FEZDTLUUUSPJAP-UHFFFAOYSA-N
-rxn:4:201171:226221,Cc1c(Cl)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cccnc12,ZTLAHIVDGUGCQV-UHFFFAOYSA-N
-rxn:4:201171:226392,Cc1ccn(-c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)n1,JEEIORLNWAALPD-UHFFFAOYSA-N
-rxn:4:201171:226434,O=C(N1CCN=C1SCc1ccc(-c2cc(F)cc(-n3cccc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,NEDSVABNNIKWHH-UHFFFAOYSA-N
-rxn:4:201171:226465,Cn1c(=O)n(C)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,RRBKMBXJXXOVKV-UHFFFAOYSA-N
-rxn:4:201171:226498,CCN(CC)c1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,DPGZWKPQCKAUFC-UHFFFAOYSA-N
-rxn:4:201171:226537,CCOC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,LQDVKFHNFDGEMW-UHFFFAOYSA-N
-rxn:4:201171:226567,COC(=O)C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,MBHRQVFLLFSDGF-UHFFFAOYSA-N
-rxn:4:201171:226613,Cn1ccc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)n1,MIOGREHGMMILOH-UHFFFAOYSA-N
-rxn:4:201171:226617,Cc1nn(-c2ccccn2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,TWBMJMSIZLCDDY-UHFFFAOYSA-N
-rxn:4:201171:226622,Cc1nn(-c2ccncc2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,AUMCFEACWFLTTJ-UHFFFAOYSA-N
-rxn:4:201171:226633,Cc1nc(-n2cccn2)ccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,IOWAIEKIKWKGER-UHFFFAOYSA-N
-rxn:4:201171:226641,Cc1cnn(-c2cncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)c1,LJTSETFTCGYFGG-UHFFFAOYSA-N
-rxn:4:201171:226676,O=C(N1CCN=C1SCc1ccc(-c2ccc(-n3cccn3)cc2F)cc1)C12CC3CC(CC(C3)C1)C2,MCTYEEICZBBZKY-UHFFFAOYSA-N
-rxn:4:201171:226677,O=C(N1CCN=C1SCc1ccc(-c2ccc(Cl)cc2-n2ccnc2)cc1)C12CC3CC(CC(C3)C1)C2,WHHSVRIQRSKEQM-UHFFFAOYSA-N
-rxn:4:201171:226702,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccco3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,LLQQKIGTAAORLC-UHFFFAOYSA-N
-rxn:4:201171:226785,Cc1cnn(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)c1,WMHQHUNMDPWVTQ-UHFFFAOYSA-N
-rxn:4:201171:226794,O=C(N1CCN=C1SCc1ccc(-c2cnc(N3CCSCC3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,CHJBUPKGULDHRP-UHFFFAOYSA-N
-rxn:4:201171:226879,O=C(N1CCN=C1SCc1ccc(-c2cnn(-c3ncc(Cl)cn3)c2)cc1)C12CC3CC(CC(C3)C1)C2,UYUMJDORNMDNCJ-UHFFFAOYSA-N
-rxn:4:201171:226931,Cc1ccc2ncccc2c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,SMIPVCVQYWZQPK-UHFFFAOYSA-N
-rxn:4:201171:226932,Cc1ccc2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1,DBEIKRXQIDFJSC-UHFFFAOYSA-N
-rxn:4:201171:226933,Cc1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cnc2ccccc12,PYTGGURWKVOYMM-UHFFFAOYSA-N
-rxn:4:201171:226935,Cc1cncc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc12,BVYNUOOUIALGKK-UHFFFAOYSA-N
-rxn:4:201171:226939,Cc1nccc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc12,PVWNIJSEFJYGFT-UHFFFAOYSA-N
-rxn:4:201171:226999,CCCC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,HMMGWAWRONMZJJ-UHFFFAOYSA-N
-rxn:4:201171:227054,COc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1C1CC1,VIIZAFZPWHLJRF-UHFFFAOYSA-N
-rxn:4:201171:227138,N#Cc1ccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1,FDTDZHGKLKIHPS-UHFFFAOYSA-N
-rxn:4:201171:227153,Cc1nn(C)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc12,WQXJFOQPOFRRIS-UHFFFAOYSA-N
-rxn:4:201171:227156,Cc1nn(C)c2c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cccc12,CKQFYHCMAKRUBY-UHFFFAOYSA-N
-rxn:4:201171:227323,CCC(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cnc1Cl,JOHLYTDFGHQYTB-UHFFFAOYSA-N
-rxn:4:201171:227357,CCC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,DSJKAEJHILERGI-UHFFFAOYSA-N
-rxn:4:201171:227407,CC(C)(C)c1ncc(Cl)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,RTXKAVXSIGCHFF-UHFFFAOYSA-N
-rxn:4:201171:227512,COC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)cn1,HKBXADAZQFBQBK-UHFFFAOYSA-N
-rxn:4:201171:227514,CC(C)Oc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(Cl)n1,SZRUVOIXRSWXIQ-UHFFFAOYSA-N
-rxn:4:201171:227622,Cc1ccn(-c2csc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)n1,DXNDFJUXZJBVOD-UHFFFAOYSA-N
-rxn:4:201171:227730,Cc1nn(-c2nccs2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,UOJNWQIJSWHRQX-UHFFFAOYSA-N
-rxn:4:201171:227846,Cn1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21,XADRGCUDVKCEFM-UHFFFAOYSA-N
-rxn:4:201171:228014,O=C(N1CCN=C1SCc1ccc(-c2cccc(C3CC3)c2Cl)cc1)C12CC3CC(CC(C3)C1)C2,LGHGTCCFYLJNDE-UHFFFAOYSA-N
-rxn:4:201171:228038,Cn1cnc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,GRKSBJNJKPPAQB-UHFFFAOYSA-N
-rxn:4:201171:228050,Cn1ccc2cncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c21,HLGCUEHWBFOOJI-UHFFFAOYSA-N
-rxn:4:201171:228064,O=C1CCc2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc21,LAZKCOIBAIAMGL-UHFFFAOYSA-N
-rxn:4:201171:228147,CCCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cnc1Cl,PDAQKAOUOWVOHB-UHFFFAOYSA-N
-rxn:4:201171:228233,CC(=O)c1cc(C)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,HXCAAUBMWCMABS-UHFFFAOYSA-N
-rxn:4:201171:228237,CC(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cnc1Cl,WSECYUFHVIOKLT-UHFFFAOYSA-N
-rxn:4:201171:228365,O=C(N1CCN=C1SCc1ccc(-c2cnc(C3CC3)nc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,BPHOPKLPEZOURK-UHFFFAOYSA-N
-rxn:4:201171:228544,N#CCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,NNWOIKJHHSSTGT-UHFFFAOYSA-N
-rxn:4:201171:228676,CCCCn1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,HLSAASVFAGOSNI-UHFFFAOYSA-N
-rxn:4:201171:228693,CCN(C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1,BALBHKMDGDBZEN-UHFFFAOYSA-N
-rxn:4:201171:228707,CC(C)(C)n1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,CILWWFRKYTWZEF-UHFFFAOYSA-N
-rxn:4:201171:228875,N#Cc1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccnc1Cl,PRUJYCNBWRUWIY-UHFFFAOYSA-N
-rxn:4:201171:229001,CCc1cnccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,DKAYDEDANCXSBE-UHFFFAOYSA-N
-rxn:4:201171:229021,Cc1nccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C,NAFHGBOGCIEEEH-UHFFFAOYSA-N
-rxn:4:201171:229072,CSc1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,XIDGDBAYSRPCEQ-UHFFFAOYSA-N
-rxn:4:201171:229127,Cc1c(Cl)cncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,RSYVHDRHBUIVPF-UHFFFAOYSA-N
-rxn:4:201171:229193,O=C(N1CCN=C1SCc1ccc(-c2c(F)cncc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,QJIIQYHVECWDCX-UHFFFAOYSA-N
-rxn:4:201182:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCCN4CCOCC4)c3)ccc2F)CC1,DRZPUUUWAZKQBL-UHFFFAOYSA-N
-rxn:4:201632:224571,CCOC(=O)C1(C)CC(c2ccc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cn2)=NO1,SHZIMMJRMJNUMT-UHFFFAOYSA-N
-rxn:4:201741:223542,COC(=O)c1cccc(Cn2nc(C)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)c2C)c1,UWZBGNVRNDLPGX-UHFFFAOYSA-N
-rxn:4:201746:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccnc3OC3CCN(S(=O)(=O)C4CC4)C3)cc2)CC1,DNEZTUQOKDXFIE-UHFFFAOYSA-N
-rxn:4:201774:222913,CC(C)(C)OC(=O)N1CCC[C@H]1c1csc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)n1,RCBRNUNCSINWAM-IBGZPJMESA-N
-rxn:4:201777:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3csc(C4CCN(C(=O)OC(C)(C)C)C4)n3)c(F)c2)CC1,QJENBAXKWMIGLL-UHFFFAOYSA-N
-rxn:4:201789:223977,CCOC(=O)c1ncc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)cc1N1CCCCC1,DAWJKYSNYQRVGM-UHFFFAOYSA-N
-rxn:4:201798:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,QPZVXMCBKXOYMZ-UHFFFAOYSA-N
-rxn:4:201802:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4CCCC(C(=O)C(C)C#N)C4=O)c3)cc2F)CC1,FOFIWVZORJJZTR-UHFFFAOYSA-N
-rxn:4:201809:223753,CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,DMZOARKBUDLTFH-UHFFFAOYSA-N
-rxn:4:201810:223753,Cc1ccc(-c2ccc(Oc3ncc(CN4CCOCC4)s3)cc2)cc1OCCCN1CCN(C)CC1,CYWMYZGOXRDKJF-UHFFFAOYSA-N
-rxn:4:201906:224777,COc1ccc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,DUMCYOIUMNPETO-UHFFFAOYSA-N
-rxn:4:201906:224881,COc1ccc(-c2cccc(CN3CCCCCC3)c2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,FIEWRPHLLVUGSS-UHFFFAOYSA-N
-rxn:4:201913:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncc4Cl)C3)cc2)cc1OCCCN1CCN(C)CC1,KUJILBNADYDVQY-UHFFFAOYSA-N
-rxn:4:201915:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCSC4c4cccc([N+](=O)[O-])c4)cc3)cc2)CC1,BTKVEYIBQDVJEU-UHFFFAOYSA-N
-rxn:4:201929:222910,CCCNS(=O)(=O)c1ccc(-c2nc(C3CCCN(C(=O)OC(C)(C)C)C3)cs2)c(C)c1,TZKAPAUXGULYJP-UHFFFAOYSA-N
-rxn:4:201933:222758,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1NC(=O)OC(C)(C)C,BSPSYUSIJYLKEH-UHFFFAOYSA-N
-rxn:4:201967:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2OC)CC1,ROSYETGPSOHTIC-UHFFFAOYSA-N
-rxn:4:201975:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)cc2)CC1,OHALJMPPBVCMMR-UHFFFAOYSA-N
-rxn:4:201977:224198,CCN1CCN(Cc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN=C4c4ccccc4)c3)c(F)c2)CC1,HXIWELBHBYCJPW-UHFFFAOYSA-N
-rxn:4:201996:225975,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3ccnc(N4CCOCC4)c3Cl)c2)C1,SOMDACHJLCBFBB-UHFFFAOYSA-N
-rxn:4:201997:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccncc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1,ZBONNMRMUIMMPD-UHFFFAOYSA-N
-rxn:4:202001:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)c1F,FBCRLVWHKNCJOS-UHFFFAOYSA-N
-rxn:4:202002:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)c(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,HONFQEBBIBIHHY-UHFFFAOYSA-N
-rxn:4:202015:225984,CC(C)(C)OC(=O)c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)cnc1N1CCOCC1,JQZNKAIMPBCJOG-UHFFFAOYSA-N
-rxn:4:202020:225977,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cc(Cl)cnc2N2CCOCC2)C1,KKXLAQRLSSHVHP-UHFFFAOYSA-N
-rxn:4:202064:222732,CC(C)CC(=O)N1CCN(c2ccccc2-c2ccc(C(=O)NC3CCCCC3)cc2)CC1,XDBXCLCXORWRTO-UHFFFAOYSA-N
-rxn:4:202069:225938,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(C(F)(F)F)ncc3C3CC3)c2)C1,BIMUMUOIPIPWMN-UHFFFAOYSA-N
-rxn:4:202078:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(Oc5cc(C)n(C)c(=O)c5)C4)o3)ccc2OC)CC1,SWQMKQKVVDQJLL-UHFFFAOYSA-N
-rxn:4:202092:222632,CN(C)C1CCN(CCc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)CC1,LARFCJRXTSBCTE-UHFFFAOYSA-N
-rxn:4:202093:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(C(C)C)CC3)cc2)cc1,IJZFDRSDWGVTBY-UHFFFAOYSA-N
-rxn:4:202098:224969,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1C(=O)OC(C)(C)C,CWHOARLLUOBNGE-UHFFFAOYSA-N
-rxn:4:202113:225984,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,PUSBBDNDGBIWKI-UHFFFAOYSA-N
-rxn:4:202118:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnc(N3CCCCC3)c(C(=O)OC(C)(C)C)c2)c1,ANNVWFDPDXIMMA-UHFFFAOYSA-N
-rxn:4:202130:222684,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(F)n2)C1,UBYOCJLLQMJXTD-UHFFFAOYSA-N
-rxn:4:202131:222632,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)CC1,SQNZURUEBZTHTR-UHFFFAOYSA-N
-rxn:4:202152:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)c1,ZOEDKINFAPFHMT-UHFFFAOYSA-N
-rxn:4:202153:228086,N#CCOc1cccc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)c1,SOPKHPGKMOZEIZ-UHFFFAOYSA-N
-rxn:4:202163:224379,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,YNAJNOLWDHXIDA-UHFFFAOYSA-N
-rxn:4:202171:224612,CC(C)(C)C1CC(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NN1C(=O)c1ccco1,VAIXHTJBRKHEAH-UHFFFAOYSA-N
-rxn:4:202175:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)c1,VRJWPEOMBZMWTE-UHFFFAOYSA-N
-rxn:4:202179:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cc(N4CCN(Cc5ccccc5)CC4)ccc3C(F)(F)F)cc21,DWIUWFZGGYPEDL-UHFFFAOYSA-N
-rxn:4:202207:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,VLLGFMCFNKAEAP-UHFFFAOYSA-N
-rxn:4:202212:222632,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(C(=O)NCCN4CCCC4)c3)C2)cc1C,YFEHWUVIPQHXNB-UHFFFAOYSA-N
-rxn:4:202224:222880,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(Cl)ccc2NC(=O)C(C)(C)C)nc1,FUJUZEJNZAZFGS-UHFFFAOYSA-N
-rxn:4:202240:222632,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)cc2)CC1,IVSYIBVCYAHULA-UHFFFAOYSA-N
-rxn:4:202242:222684,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c2)CC1,ALBBNZGIRAXWFQ-UHFFFAOYSA-N
-rxn:4:202258:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccccc5)c(N5CCOCC5)o4)cc3)c(F)c2)CC1,VPBZEVLXZCFOFU-MCZWQBSQSA-N
-rxn:4:202267:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCCCC1,CSLJYCSRLRYBMV-UHFFFAOYSA-N
-rxn:4:202275:225518,CCCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,LOURFFPXJUTLFR-UHFFFAOYSA-N
-rxn:4:202278:224196,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cc2)CC1,CRAMURPJGQPWEK-UHFFFAOYSA-N
-rxn:4:202284:225432,COc1ccc(-c2cccc(COC3CCCC3)c2)cc1CN1CCC(N2CCCC2)CC1,VZSXGWKMRKKXRB-UHFFFAOYSA-N
-rxn:4:202289:222714,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,NIPAPUMSSTVVJX-UHFFFAOYSA-N
-rxn:4:202292:226844,O=C(c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,IIDHMHQNTJIXSE-UHFFFAOYSA-N
-rxn:4:202303:222629,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,PSTPXSFDJAKYHU-UHFFFAOYSA-N
-rxn:4:202305:223753,Cc1ccc(-c2ccc(S(=O)(=O)c3nc(-c4ccco4)oc3N3CCC(C)CC3)cc2)cc1OCCCN1CCN(C)CC1,LBRQIZLGDFBPRO-UHFFFAOYSA-N
-rxn:4:202309:223755,CC1CCN(CCCOc2ccc(-c3ccc(CN(C)C4CCOCC4)c(N4CCOCC4)c3)cc2F)CC1,XXBILVZELJMAOL-UHFFFAOYSA-N
-rxn:4:202311:226844,O=C(C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1)N1CCC(F)(F)CC1,LOYWQKPYMCWPCU-UHFFFAOYSA-N
-rxn:4:202311:228095,O=C(C1CCN(Cc2ccc(-c3cccc(OCCF)c3)cc2)CC1)N1CCC(F)(F)CC1,QIEVCTRMTNWXLH-UHFFFAOYSA-N
-rxn:4:202317:223755,Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CC2c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)cc1,YJZZONCAEQTYIL-UHFFFAOYSA-N
-rxn:4:202328:222923,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)NC4CC4)c3)CC2)CC1,NHJVQAANQONRKF-UHFFFAOYSA-N
-rxn:4:202328:226924,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C4CC4)c3C)CC2)CC1,OWVLGIUUCHKTDE-UHFFFAOYSA-N
-rxn:4:202331:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,CFFHSKAXVAFSRH-UHFFFAOYSA-N
-rxn:4:202332:224198,CCN1CCN(Cc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)c3)c(F)c2)CC1,OVHKFLQIYQTQIR-UHFFFAOYSA-N
-rxn:4:202335:223753,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)=NC23CCCCC3)cc1,VLKMNNVYRUGRAD-UHFFFAOYSA-N
-rxn:4:202344:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cc(C)cc5C)CC4)cc3OC)c2)CC1,LHGRJRPIWZCUIR-UHFFFAOYSA-N
-rxn:4:202347:224257,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(C(=O)N5CCCCC5C)ccc4Cl)c2)CC3)cc1,QQVJXDNDFQLIFS-UHFFFAOYSA-N
-rxn:4:202352:223577,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc2)CC3)ccc1F,NFNGWGIPPXKSCY-UHFFFAOYSA-N
-rxn:4:202387:223829,CCOC(=O)c1c(C(F)(F)F)[nH]c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3C)ccc12,HKAOHYPHSXWWFK-UHFFFAOYSA-N
-rxn:4:202390:223895,CCOC(=O)c1c(C(F)(F)F)nc2ccc(-c3ccc(OCCN4CCN(CC)CC4)cc3)cn12,WJYOCNYXBGYFCV-UHFFFAOYSA-N
-rxn:4:202554:222857,COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(OC)cc(C4CCNCC4)c3)ccc21,YJKTXXZTCMMNSQ-UHFFFAOYSA-N
-rxn:4:202559:222684,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc(C#N)c21,RYLFCAJMKRCRKR-UHFFFAOYSA-N
-rxn:4:202570:223743,COc1cc(OC)cc(C(=O)N=c2sc3cc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)ccc3n2C)c1,VFGMCEILAXTBIY-UHFFFAOYSA-N
-rxn:4:202593:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3c2)cc1,AXSUVZIUQGSXOG-IBGZPJMESA-N
-rxn:4:202654:226559,CC(C)(C)OC(=O)c1csc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)c1,ANWUZGVFPHPFBF-UHFFFAOYSA-N
-rxn:4:202658:225129,CC(C)(C)OC(=O)c1ccc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)c(F)c1,PLPVAVHEGPGGLA-UHFFFAOYSA-N
-rxn:4:202695:223279,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,DEBPIOIFBNUPML-UHFFFAOYSA-N
-rxn:4:202697:223753,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,SQFPHTXXVMRIHK-UHFFFAOYSA-N
-rxn:4:202704:223557,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,HRHJJLRDOAXRJX-UHFFFAOYSA-N
-rxn:4:202707:222397,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C(=O)NCCc5c[nH]cn5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,DLEOTXXFIVMGKT-UHFFFAOYSA-N
-rxn:4:202707:222549,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(NCC(=O)c5ccccc5)c(C)c4)cc3F)C3CS(=O)(=O)CC32)c1,GMMVHBQDVCDBTA-UHFFFAOYSA-N
-rxn:4:202707:222849,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C5CCNCC5)c(C#N)c4)cc3F)C3CS(=O)(=O)CC32)c1,CFRNJYBZIALTTB-UHFFFAOYSA-N
-rxn:4:202707:222925,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C5CNC5)c(C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,KWSYRYLITKGHIJ-UHFFFAOYSA-N
-rxn:4:202707:223595,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3F)C3CS(=O)(=O)CC32)c1,GQBBBXZIWISJIG-UHFFFAOYSA-N
-rxn:4:202707:223649,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,DBMYLQGKQHVVFA-UHFFFAOYSA-N
-rxn:4:202707:223733,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(OCc5ccc(C(C)(C)C)cc5)c4)cc3F)C3CS(=O)(=O)CC32)c1,WSTJTOUCGGHDRY-UHFFFAOYSA-N
-rxn:4:202707:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)cc2Cl)CC1,XRESTWYZTPJSQR-UHFFFAOYSA-N
-rxn:4:202707:223786,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cc3F)C3CS(=O)(=O)CC32)c1,ZLXUDENLZODZSA-UHFFFAOYSA-N
-rxn:4:202707:223787,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cc3F)C3CS(=O)(=O)CC32)c1,BJDOSHTXNJXXTC-UHFFFAOYSA-N
-rxn:4:202707:223813,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cc3F)C3CS(=O)(=O)CC32)c1,KLBFKQFPAZBXIU-UHFFFAOYSA-N
-rxn:4:202707:223814,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc3F)C3CS(=O)(=O)CC32)c1,IRJMHCUPXGPNOC-UHFFFAOYSA-N
-rxn:4:202707:223892,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,DUAGTAWVIMOXAJ-UHFFFAOYSA-N
-rxn:4:202707:223894,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(OCCCN5CCN(C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,OBBUWIQZALHSIH-UHFFFAOYSA-N
-rxn:4:202707:223951,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc3F)C3CS(=O)(=O)CC32)c1,XIDVSZRVTJIUFH-UHFFFAOYSA-N
-rxn:4:202707:224169,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(OCCCN5CCOCC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,IOOYBNXDWBKYFC-UHFFFAOYSA-N
-rxn:4:202707:224197,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)cc2F)CC1,SUHYSBAQHMZDOH-UHFFFAOYSA-N
-rxn:4:202707:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(CN2C(=O)N(c3cccc(SC)c3)C3CS(=O)(=O)CC32)c(F)c1,RDSDFMANKVHCJQ-UHFFFAOYSA-N
-rxn:4:202707:224570,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,KQCTUMNZBDAYMJ-UHFFFAOYSA-N
-rxn:4:202707:224728,COc1cc(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)c(C(=O)OC(C)(C)C)cn1,JKVDZCGXBHRVKB-UHFFFAOYSA-N
-rxn:4:202707:224886,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCC(C)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,JNNWZTXTVOHZKS-UHFFFAOYSA-N
-rxn:4:202707:224916,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCCC(C)C5)cc4C)cc3F)C3CS(=O)(=O)CC32)c1,OPHRVKLRPCTKFH-UHFFFAOYSA-N
-rxn:4:202707:225123,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccncc4OCC4CCCCO4)cc3F)C3CS(=O)(=O)CC32)c1,NFNJBQMVDGVDOD-UHFFFAOYSA-N
-rxn:4:202707:225423,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CCCCN(C)C)cc4)cc3F)C3CS(=O)(=O)CC32)c1,YEPUNGDNBGUYCY-UHFFFAOYSA-N
-rxn:4:202714:225726,CCOC(=O)c1ccc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc1OC,BCSFUXWTBMKAJZ-UHFFFAOYSA-N
-rxn:4:202724:222684,O=C(c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCCCC1,IVWUBJCAJXTMCY-UHFFFAOYSA-N
-rxn:4:202738:222632,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3F)c3ccccc3S2(=O)=O)cc1,DAKHCQNJZOEODR-UHFFFAOYSA-N
-rxn:4:202738:223895,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCN(CC)CC5)cc4)cc3F)c3ccccc3S2(=O)=O)cc1,DLGHJGKEFXXDJZ-UHFFFAOYSA-N
-rxn:4:202751:222684,COc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)C(=O)C3ON2c2ccccc2)cc1,FTECZKNJZOSYSQ-UHFFFAOYSA-N
-rxn:4:202764:223755,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)ON3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2F)CC1,KWKAFBMVQZAQTI-UHFFFAOYSA-N
-rxn:4:202778:222909,CCn1c2c(c3cc(-c4ccnc(NC(=O)OC(C)(C)C)c4)ccc31)CN(C(=O)OC(C)(C)C)CC2,BRXUPXFIVIHXRB-UHFFFAOYSA-N
-rxn:4:202778:222913,CCn1c2c(c3cc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)ccc31)CN(C(=O)OC(C)(C)C)CC2,LNOYACZVZNDTRB-UHFFFAOYSA-N
-rxn:4:202778:225128,CCn1c2c(c3cc(-c4cc(C5(C(=O)OC)CC5)ccc4F)ccc31)CN(C(=O)OC(C)(C)C)CC2,NQZYRXSSAHYQCG-UHFFFAOYSA-N
-rxn:4:202792:223960,CCOc1cccc(C2c3c(oc4ccc(-c5ccc(F)c(C(=O)N6CCN(CC)CC6)c5)cc4c3=O)C(=O)N2c2cc(C)on2)c1,IGABIKDTWVTSAT-UHFFFAOYSA-N
-rxn:4:202805:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)c2)c1,ZWAIZSGCRJVAHW-UHFFFAOYSA-N
-rxn:4:202807:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c1,NCQXYOGFCGTAOH-UHFFFAOYSA-N
-rxn:4:202807:222541,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1,YJSSQKGIQMQQMK-UHFFFAOYSA-N
-rxn:4:202807:222572,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNC(=O)c3cccc(F)c3)cc2)cc1,YUEUOUFEMHFNPO-UHFFFAOYSA-N
-rxn:4:202807:222590,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1,MQAOWWBYGSBKLN-UHFFFAOYSA-N
-rxn:4:202807:222624,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,PMARQCULVHTQQU-UHFFFAOYSA-N
-rxn:4:202807:222633,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,CJZCNOXVSKEBRT-UHFFFAOYSA-N
-rxn:4:202807:223865,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C(C)C)ccc2OCc2ccccc2)cc1,XOAMNKIZJJFFOU-UHFFFAOYSA-N
-rxn:4:202807:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,QNJLKPSALLRRPJ-UHFFFAOYSA-N
-rxn:4:202807:224482,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,JOECLHWQBAXCPQ-UHFFFAOYSA-N
-rxn:4:202807:224501,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCC3CCCCN3C)cc2)cc1,FQAAWTUZXSHASR-UHFFFAOYSA-N
-rxn:4:202807:224654,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(F)c(O[Si](C)(C)C(C)(C)C)c2)cc1,WFLBZHXPRPLSOK-UHFFFAOYSA-N
-rxn:4:202807:224766,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1,WXULQDVNBGBVAN-UHFFFAOYSA-N
-rxn:4:202807:224769,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCC3)cc2C(F)(F)F)cc1,ZDSIRQMMBIHLCT-UHFFFAOYSA-N
-rxn:4:202807:224930,CCN(CC)Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1OC,QNUZWJFRPSHKHJ-UHFFFAOYSA-N
-rxn:4:202807:225011,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C3(C#N)CCCC3)c2F)cc1,SZWCLWYPOPRKEO-UHFFFAOYSA-N
-rxn:4:202807:225197,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cc1,JRPLXRAXBMGTNP-UHFFFAOYSA-N
-rxn:4:202807:225576,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)cc1,MDAYTXPUGIAKFP-UHFFFAOYSA-N
-rxn:4:202807:225859,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(N3CCCCC3)c(Cl)c2)cc1,ZFGSJOPZDXTAJX-UHFFFAOYSA-N
-rxn:4:202807:226101,CCN(CC)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C)c1,VPZADZFKRXSUJX-UHFFFAOYSA-N
-rxn:4:202807:226498,CCN(CC)c1ncc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1Cl,HXCWOICPEGDXFD-UHFFFAOYSA-N
-rxn:4:202807:226740,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(F)(F)F)c2C#N)cc1,NZQKDBRBKOHCFU-UHFFFAOYSA-N
-rxn:4:202807:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,DUVRHYQJSYXHBV-UHFFFAOYSA-N
-rxn:4:202807:227071,COCc1cc(C)c(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C)c1,ZPRIWIFZVSVAAL-UHFFFAOYSA-N
-rxn:4:202807:227468,CCN(CC)c1ncc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cn1,CBNMWTNFTIQEMW-UHFFFAOYSA-N
-rxn:4:202807:227498,COc1cc(N(C)C)ncc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,PCARSYCTBHVTIE-UHFFFAOYSA-N
-rxn:4:203460:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCCC2)c([N+](=O)[O-])c1,DKQOWMPLDSEYAC-UHFFFAOYSA-N
-rxn:4:203464:223895,CCN1CCN(CCOc2ccc(-c3nc(C(=O)OC)c(N4CCOCC4)s3)cc2)CC1,USWKJDYVXWWGIR-UHFFFAOYSA-N
-rxn:4:203594:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc(CN3CCC(F)(F)C3)cc([N+](=O)[O-])c2)c1,AUPFVLXKNIBSRE-UHFFFAOYSA-N
-rxn:4:203619:223595,COc1ccc(-c2nc(C(F)(F)F)cn2C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,UQHOLWYCOYUDPR-UHFFFAOYSA-N
-rxn:4:203639:222542,Cc1ccc(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1OCCCN1CCNCC1,XUUYFIWYAMEXQN-UHFFFAOYSA-N
-rxn:4:203708:222724,O=C(c1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,PPPJNJFHYKBNMC-UHFFFAOYSA-N
-rxn:4:203708:224350,O=C(c1ccccc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,MEWNCZMZBGRNQV-UHFFFAOYSA-N
-rxn:4:203708:224378,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,BQVAZPFIHRZOMS-UHFFFAOYSA-N
-rxn:4:203708:225354,CCOc1cc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc(C(F)(F)F)c1F,DTHQTHLVERBCLU-UHFFFAOYSA-N
-rxn:4:203726:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cnc1N1CCCCC1,YOUGUHYTIVNZHF-UHFFFAOYSA-N
-rxn:4:203739:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(N4CCN(CC(F)(F)F)CC4)cc3)cc2)C1,WURSPXAZPRZNAT-UHFFFAOYSA-N
-rxn:4:203778:222606,CN1CCN(c2cc(OC(F)(F)F)cc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)c2)CC1,BSUDDVJEYSQXER-UHFFFAOYSA-N
-rxn:4:203814:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(CC)CC4)c(Cl)c3)c2)CC1,XCBPTKVIJGACRL-UHFFFAOYSA-N
-rxn:4:203822:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCN(C)CC2)cc1,MDCRSEUWFXLEBC-UHFFFAOYSA-N
-rxn:4:203825:224778,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3c(F)cc(OC4CCOCC4)cc3F)cc2)CC1,HNZDCWOMXSVRTJ-UHFFFAOYSA-N
-rxn:4:203834:225331,CCOc1cc(OC(F)(F)F)cc(-c2cccc(C(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)c1,WYPSQBQZLWDOIJ-UHFFFAOYSA-N
-rxn:4:203872:223835,CCN1CCN(Cc2ccc(F)cc2-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)CC1,JVYKPYNVSMLPFJ-UHFFFAOYSA-N
-rxn:4:203881:224782,CN1CCN(c2cc(-c3cccc(CC4CCN(S(C)(=O)=O)CC4)n3)cc(F)c2F)CC1,GYSGCDZKMXZNTN-UHFFFAOYSA-N
-rxn:4:203895:224597,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CC3)cc(N3CCOCC3)c2)CC1,HTYLKECRRMJBDR-UHFFFAOYSA-N
-rxn:4:203929:223753,Cc1ccc(-c2cc([N+](=O)[O-])c(C)cc2OC2CCN(C)CC2)cc1OCCCN1CCN(C)CC1,POVFYJBRTAVKKP-UHFFFAOYSA-N
-rxn:4:203934:222842,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(C(=O)NC2CCCC2)c1,RMVIBZZCRYQTEO-UHFFFAOYSA-N
-rxn:4:203941:226844,CC(=O)C1CCCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C)cc2[N+](=O)[O-])C1=O,BVZROQFMACBEOZ-UHFFFAOYSA-N
-rxn:4:203966:224750,CN(C)C1CCN(C(=O)c2ccc(Cl)c(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)c2)CC1,MNNUVHFBNJFRSR-UHFFFAOYSA-N
-rxn:4:203976:223797,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccccc3COc3cccc(C(F)(F)F)c3)cc2Cl)CC1,BJIYORUHXUVSMD-UHFFFAOYSA-N
-rxn:4:203976:224949,COc1ccc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1CN1CCCC1,BIRWJVNFKOQVHD-UHFFFAOYSA-N
-rxn:4:203985:224378,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1)N1CCC(N2C(=O)COC2=O)CC1,NOXUTYHDBKRZGB-UHFFFAOYSA-N
-rxn:4:204000:222684,CCN1CCN(Cc2cc(C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,VYKRWUISOWEXTE-UHFFFAOYSA-N
-rxn:4:204002:223969,CCN1CCN(C(C)c2ccccc2-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)CC1,BOTRROVRAGFUPI-UHFFFAOYSA-N
-rxn:4:204006:224424,CCCC1CCC(c2ccc(-c3cc(F)cc(CN4CCC(N(C)C)CC4)c3)cc2)CC1,LKXPMCYGXLHOIE-UHFFFAOYSA-N
-rxn:4:204007:223753,Cc1ccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2F)cc1OCCCN1CCN(C)CC1,MPCULSFARDFROG-UHFFFAOYSA-N
-rxn:4:204012:223894,CN1CCN(CCCOc2cccc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)c2)CC1,MOYPWWAMVZBOHY-UHFFFAOYSA-N
-rxn:4:204015:223998,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)ccc2C)CC1,JEUVVOLKUOYHNC-UHFFFAOYSA-N
-rxn:4:204023:223753,Cc1ccc(-c2cc(F)c(CN3CCN(C(C)C)CC3)c(F)c2)cc1OCCCN1CCN(C)CC1,OUSAIDSEYAYJDO-UHFFFAOYSA-N
-rxn:4:204046:222845,CC(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1)N1CCNCC1,PRIAULMZNCABIC-UHFFFAOYSA-N
-rxn:4:204049:224350,COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1,OZUIABDYLPYGLN-UHFFFAOYSA-N
-rxn:4:204068:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1,FBGWZRMHZJWRAM-UHFFFAOYSA-N
-rxn:4:204068:223775,COc1ccc2c(c1)c(-c1ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc1)cn2C(=O)OC(C)(C)C,LAWJIOJZVPKIAN-UHFFFAOYSA-N
-rxn:4:204075:225891,COc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cnc1C(OC)OC,JYTKEXJTJNETBY-UHFFFAOYSA-N
-rxn:4:204088:222514,COc1ccc(-c2ccccc2-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)cc1S(=O)(=O)NC1CCCCC1,DUCLUSQYHBELNW-UHFFFAOYSA-N
-rxn:4:204103:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CCC(N2CCCC2)CC1,UAKYLRFGDZITEO-UHFFFAOYSA-N
-rxn:4:204106:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CCCCC(c4ccc(F)cc4)C3)c2)CC1,REOBJPINKASYKX-UHFFFAOYSA-N
-rxn:4:204107:223755,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)=NC2(C)C)cc1,ITGZWUKCIZIOJV-UHFFFAOYSA-N
-rxn:4:204123:224378,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)cc1,QMBUIBVPHXNHCA-UHFFFAOYSA-N
-rxn:4:204149:223084,CC1CCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCC2)CC1,DPLRNIWDEBOGAV-UHFFFAOYSA-N
-rxn:4:204150:226222,CCCCCOc1ccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cn1,RCOFBXXNNJYAAE-UHFFFAOYSA-N
-rxn:4:204153:224350,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)c(C)c3)CC2)cc1,FYMCCWCNRNJXOO-UHFFFAOYSA-N
-rxn:4:204153:224378,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)c(C)c3)CC2)cc1,INRHPCAUXKEQDB-UHFFFAOYSA-N
-rxn:4:204156:224378,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)c1,OLLWXHYDPROHQJ-UHFFFAOYSA-N
-rxn:4:204157:224378,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,LMYKMLCLHWDCFR-UHFFFAOYSA-N
-rxn:4:204158:222930,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3Cl)CC2)cc1,CWWSIZFUFFUJFS-UHFFFAOYSA-N
-rxn:4:204162:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccccc5)C4=S)cc3)cc2)CC1,IEAWYZKBTKPVBM-UHFFFAOYSA-N
-rxn:4:204175:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccccc5)C4=S)cc3)c2)CC1,STXGHCPXZJHELM-UHFFFAOYSA-N
-rxn:4:204176:226776,COC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc(Cl)c1F,SZIWDIPKKRKOQF-UHFFFAOYSA-N
-rxn:4:204176:226844,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,FFPOEOAKMJFXLG-UHFFFAOYSA-N
-rxn:4:204182:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2)CC1,NXMPHLDHDBINMV-UHFFFAOYSA-N
-rxn:4:204185:222583,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccc(C(=O)NCCN2CCOCC2)cc1,PILLXQGSHYXWSZ-UHFFFAOYSA-N
-rxn:4:204403:223776,COCn1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1C12CCCC1O2,WCZVBUYHZYNJMX-UHFFFAOYSA-N
-rxn:4:204493:223559,CCC(=O)N=c1sc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2n1CC,WJAUYODMOBUZBW-UHFFFAOYSA-N
-rxn:4:204528:223025,CCCNC(=O)c1cc(-c2ccccc2N2C(=O)C3CSC(C(=O)OC)N3C2=S)ccc1Cl,GMBZNYWLJZHLHH-UHFFFAOYSA-N
-rxn:4:204646:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2C)N(C(=O)OC(C)(C)C)CCO3)cc1,BQGRYJYGRUCJJH-UHFFFAOYSA-N
-rxn:4:204693:226450,CC1(c2cccc(-c3cccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)c3)c2)OCCO1,JBJALKBQPMCAMN-UHFFFAOYSA-N
-rxn:4:204697:225074,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2c(C(C)C)nn3c(OC)cccc23)cc1,NWQQHLZZFZUJQW-UHFFFAOYSA-N
-rxn:4:204697:225723,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,XNICEXTWZZHTBV-UHFFFAOYSA-N
-rxn:4:204722:223219,CC(C)NCc1cncc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)c1,BXJFRMVDWAKMMA-UHFFFAOYSA-N
-rxn:4:204723:222625,Cc1ccc(NC(=O)c2cccc(-c3ccc(N4C(=NC(=O)C(C)C)SC5CS(=O)(=O)CC54)cc3)c2)cc1,NIUXFIUWHALUDJ-UHFFFAOYSA-N
-rxn:4:204723:224420,Cc1cc2c(cc1-c1ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc1)C(C)(C)CCC2(C)C,NJFCAFLSZPNWDT-UHFFFAOYSA-N
-rxn:4:204723:227830,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(C3(C)CC3)cc2)cc1,IFHJDJZKQIOJFH-UHFFFAOYSA-N
-rxn:4:204723:227957,Cc1nc(C(C)C)ccc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,UILXRTXMMUBRSL-UHFFFAOYSA-N
-rxn:4:204738:224096,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccccc3OCc3ccc(C#N)cc3)ccc21,VYHYVZDIQPHZGN-UHFFFAOYSA-N
-rxn:4:204773:223696,O=S(=O)(c1ccc(-c2ccc(C3c4cccn4CCN3S(=O)(=O)c3ccc(F)cc3F)cc2)cc1)N1CCC2(CC1)OCCO2,WNBCYTLXMYRXLI-UHFFFAOYSA-N
-rxn:4:204778:223753,Cc1ccc(-c2ccc(CN3C(=O)N(c4ccc(F)cc4)S(=O)(=O)c4ccccc43)c(F)c2)cc1OCCCN1CCN(C)CC1,IPLDHIWKEPOTHU-UHFFFAOYSA-N
-rxn:4:204783:223895,CCN1CCN(CCOc2ccc(-c3ccc4oc(=O)c(C(=O)N5CCN(c6ccccc6)CC5)cc4c3)cc2)CC1,SEBKOQLATSGZNF-UHFFFAOYSA-N
-rxn:4:204787:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)cc2)cc1OCCCN1CCN(C)CC1,PMBUVZAWARDZCQ-UHFFFAOYSA-N
-rxn:4:204796:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2)CC1,HAMMOPSVXFYZEU-UHFFFAOYSA-N
-rxn:4:204814:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c3ccccc23)cc1OCCCN1CCN(C)CC1,WDDQNLBTQFPKLJ-UHFFFAOYSA-N
-rxn:4:204821:223753,Cc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3F)c3ccccc3S2(=O)=O)cc1,XYDHGNVXBYBRND-UHFFFAOYSA-N
-rxn:4:204830:222684,O=C(C1=CN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c2ccccc2S1(=O)=O)N1CCCCC1,AZPVZPBBVLLARK-UHFFFAOYSA-N
-rxn:4:204833:224612,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(OCCN2CCOCC2)cc1,OPMDFMBVWOZMPF-UHFFFAOYSA-N
-rxn:4:204835:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)c2)CC1,QPZIVISQIIMSQZ-UHFFFAOYSA-N
-rxn:4:204855:222684,Cc1ccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c3ccccc3S2(=O)=O)c(C)c1,IMHWCQNGAZHPED-UHFFFAOYSA-N
-rxn:4:204857:223755,Cc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3F)c3ccccc3S2(=O)=O)cc1C,XNHKVTWNHSTXLH-UHFFFAOYSA-N
-rxn:4:204864:225433,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(CSC2CCCC2)cc1,MURDHBTZYIYXTG-UHFFFAOYSA-N
-rxn:4:204864:225632,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(N2CCN(C)CC2)c1,DCZGEWLOTPRLJI-UHFFFAOYSA-N
-rxn:4:204866:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3ccccc3S2(=O)=O)CC1,UHEKENJATLZDJM-UHFFFAOYSA-N
-rxn:4:204913:222867,Cn1c2c(c3cc(-c4ccc(NC(=O)OC(C)(C)C)cc4)ccc31)CN(C(=O)OC(C)(C)C)CC2,MYBYSSKOWAWNCF-UHFFFAOYSA-N
-rxn:4:204944:222545,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3C3CC(c4ccco4)=NN32)cc1,NEWTZZJXNZJJNH-UHFFFAOYSA-N
-rxn:4:204947:224953,CC12CC(c3ccccc3O1)N(C(=O)c1ccccc1-c1ccc(OCC3CCCCC3)nc1)C(=O)N2c1ccc(Cl)cc1,WCVUAUGPWPFEQG-UHFFFAOYSA-N
-rxn:4:204948:224286,CC12CC(c3ccccc3O1)N(C(=O)c1ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc1)C(=O)N2c1ccc(Cl)cc1,QZVMUJZQHVYULJ-UHFFFAOYSA-N
-rxn:4:204948:225285,CC(C)Cc1ncc(-c2ccc(C(=O)N3C(=O)N(c4ccc(Cl)cc4)C4(C)CC3c3ccccc3O4)cc2)cc1C(F)(F)F,BHEVHYBHCJBQJV-UHFFFAOYSA-N
-rxn:4:205058:223492,Cc1cc(-c2cnn(C(F)(F)C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UZKFLYJUNKWZSO-UHFFFAOYSA-N
-rxn:4:206430:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1cc(N2CCCC2)c([N+](=O)[O-])cc1F,RLUGBDSGROAZPG-UHFFFAOYSA-N
-rxn:4:206543:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,BCDQAYWZRIYCGE-UHFFFAOYSA-N
-rxn:4:206593:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCCCC4)c(C#N)c3)c2)CC1,QSXDZKFRZWDLEK-UHFFFAOYSA-N
-rxn:4:206622:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)n3)c2)CC1,KTRXCQUMXCSSND-UHFFFAOYSA-N
-rxn:4:206622:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)n3)cc2)CC1,FETXLPDFBRUNNA-UHFFFAOYSA-N
-rxn:4:206682:223712,COc1ccc(-c2ccc(F)c(CN3CCCCC3)n2)cc1C12CC3CC(CC(C3)C1)C2,UBUNGBLUKWSZJZ-UHFFFAOYSA-N
-rxn:4:206697:222723,CS(=O)(=O)N1CCCC(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)s2)C1,NUOBPBRHHVNLTG-UHFFFAOYSA-N
-rxn:4:206714:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCCN4S(C)(=O)=O)nc3)cc2)CC1,BEXHWPHWCJUHBG-UHFFFAOYSA-N
-rxn:4:206735:223753,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCCC2)cc1OCCCN1CCN(C)CC1,ABAKGVJMMMAXOR-UHFFFAOYSA-N
-rxn:4:206767:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(N4CCCC(F)(F)C4)c([N+](=O)[O-])cc3F)cc2C1,UEUCUTXOIROIOJ-UHFFFAOYSA-N
-rxn:4:206807:224672,CCN1CCN(c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c(Cl)c2)CC1,GDSZQQVXHWGMEE-UHFFFAOYSA-N
-rxn:4:206919:223712,COc1ccc(-c2ccc(Cl)cc2CN2CCN(C)CC2)cc1C12CC3CC(CC(C3)C1)C2,BKXYKBWCQZCEJM-UHFFFAOYSA-N
-rxn:4:206961:222598,Cc1cc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cc(C)c1S(=O)(=O)NC1CCCC1,ZYYXTLLJKWEYLC-UHFFFAOYSA-N
-rxn:4:206964:222694,CS(=O)(=O)N1CCC(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,BXWXJDKVSRJCCS-UHFFFAOYSA-N
-rxn:4:206985:224376,CN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2C(F)(F)F)CC1,XZEWXMBCZZUHGB-UHFFFAOYSA-N
-rxn:4:206990:222890,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(C2CCCNC2)n1,YQESDRLSDOJKDS-UHFFFAOYSA-N
-rxn:4:207017:224773,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)c(Cl)cc1C(=O)N1CCN(C)CC1,FFYPBZIEOKZRTG-UHFFFAOYSA-N
-rxn:4:207020:224773,Cc1cc(F)c(C(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,SNORFRZOMVNGMZ-UHFFFAOYSA-N
-rxn:4:207057:223997,Cc1ccc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,KBSPIUZNILQZCE-UHFFFAOYSA-N
-rxn:4:207058:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,WXMYDBQFYFFOMU-UHFFFAOYSA-N
-rxn:4:207059:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C)c2)CC1,LHLLLKHAKZQPAD-UHFFFAOYSA-N
-rxn:4:207086:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ZPYJOKSQFUZKKJ-UHFFFAOYSA-N
-rxn:4:207691:224196,CCN1CCN(Cc2cc(F)cc(-c3c(Cl)c(C(F)(F)F)cc4c3cnn4C3CCCCO3)c2)CC1,OFYMVTBSHOXVQS-UHFFFAOYSA-N
-rxn:4:207730:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C#N)S(=O)(=O)c5ccccc54)c(C)c3)cc2)CC1,CPOWKDJZCQIJRT-UHFFFAOYSA-N
-rxn:4:207732:222628,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1,LKCLLKODXIDWJJ-UHFFFAOYSA-N
-rxn:4:207736:222465,CN1C2CCC1CC(Oc1ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn1)C2,FDHYCSYORQEERS-UHFFFAOYSA-N
-rxn:4:207736:223840,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCN(C)CC1,HKKNZXDYVCMDIK-UHFFFAOYSA-N
-rxn:4:207788:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)CC1,YGALKMHISGBPBL-BVOOQYFDSA-N
-rxn:4:207794:224713,CCCCOc1ccc(-c2cc(CN3CCN(C)CC3)cc3c2OCC3)c(C(F)(F)F)c1,YHCUDJMCKMJNQH-UHFFFAOYSA-N
-rxn:4:207796:223687,CN1CCN(S(=O)(=O)c2cc3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)ccc3oc2=O)CC1,KZULXGWCEFRDCM-UHFFFAOYSA-N
-rxn:4:207796:223895,CCN1CCN(CCOc2ccc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCN(C)CC5)cc4c3)cc2)CC1,VBYKRCLBFPHKAT-UHFFFAOYSA-N
-rxn:4:207852:223811,Cc1ccccc1N1C(=O)N(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)C2CS(=O)(=O)CC21,BFKPDCVKUADQIV-UHFFFAOYSA-N
-rxn:4:207858:222579,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(Cl)c(C(=O)Nc4ccccc4C)c3)ccc21,AMGVFSZVVATOLD-UHFFFAOYSA-N
-rxn:4:207869:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C(=O)c5cccc6cc([N+](=O)[O-])cc(c56)C4=O)cc3)cc2F)CC1,ZZHIQTPSYXQCCZ-UHFFFAOYSA-N
-rxn:4:207959:223278,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,XPENUFUTEOMMNL-UHFFFAOYSA-N
-rxn:4:207959:225633,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCCC5)nc4)ccc2OC3C2CCCCC2)cc1,PWKBHVLDKRRIGO-UHFFFAOYSA-N
-rxn:4:207959:225723,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN(C)C)c(Cl)c4)ccc2OC3C2CCCCC2)cc1,MBKALMSNZHSQFT-UHFFFAOYSA-N
-rxn:4:208696:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1[nH]ncc1C(C)C,CUGMUWHFWHWPQJ-UHFFFAOYSA-N
-rxn:4:209634:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(C5CCOCC5)nc(Cl)n4)c3C(=O)C1C2(C)C,KBNBTRHPQANHNT-UHFFFAOYSA-N
-rxn:4:209695:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(C4=NC(C)(C)CO4)c3)c2)CC1,RWPAWCDGKPIDFN-UHFFFAOYSA-N
-rxn:4:209874:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCN(C)CC2)c1,PCQFOTCBZXGZQJ-UHFFFAOYSA-N
-rxn:4:209888:223841,Cc1cc(F)c(-c2cnc(N3CCCC(C)C3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,ONAKORJQJCHLJS-UHFFFAOYSA-N
-rxn:4:209889:223835,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,MAQZTZYESAVKPA-UHFFFAOYSA-N
-rxn:4:209889:223841,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,XNSFGRHPGMMLQI-UHFFFAOYSA-N
-rxn:4:209891:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C)cc(N2CCN(C)CC2)c1,QPWNUWYEZMJWNJ-UHFFFAOYSA-N
-rxn:4:209891:223841,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCN(C)CC2)c1,QVEXSEBWVVTQBY-UHFFFAOYSA-N
-rxn:4:209894:223842,Cc1ccc(N2CCN(C)CC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,QDJHSPFANASQCD-UHFFFAOYSA-N
-rxn:4:210547:223753,Cc1ccc(-c2ccc([N+](=O)[O-])c3c2CN(C)C3=O)cc1OCCCN1CCN(C)CC1,LRTCRSOFYCMUHK-UHFFFAOYSA-N
-rxn:4:210970:223941,Cn1ncc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1C12CC(C)(C)CC1O2,HVWGGCRMSWZQBN-UHFFFAOYSA-N
-rxn:4:211034:223840,COc1ccc(-c2cnc(N3CC4C(C3)C4(C)C)cc2C)cc1S(=O)(=O)N1CCN(C)CC1,IOYHKWMCVGJPAN-UHFFFAOYSA-N
-rxn:4:211055:223712,COc1ccc(-c2c(C)c(C)cc3nn(C4CCCCO4)cc23)cc1C12CC3CC(CC(C3)C1)C2,TYPDZEMRNRWQJL-UHFFFAOYSA-N
-rxn:4:211089:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N3CCCCCC3=C(C#N)S4(=O)=O)c(F)ccc21,OJSMMEOBSCKFOE-UHFFFAOYSA-N
-rxn:4:211096:223753,Cc1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCCC2)O3)cc1OCCCN1CCN(C)CC1,CDHZYLZXMWSWNI-UHFFFAOYSA-N
-rxn:4:212506:223815,COCCCN(C)c1ncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],SJHMTTQWJJQCPN-UHFFFAOYSA-N
-rxn:4:212526:225338,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(F)c(COCC(F)(F)F)c2)CC1,VTDPVPDUDKFTAE-UHFFFAOYSA-N
-rxn:4:212532:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cnn(CC2CN(C(=O)c3cccc(OC(F)(F)F)c3)C2)c1,GMFFELSOOJJEKL-UHFFFAOYSA-N
-rxn:4:212581:225829,CC1CCN(c2ncc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cn2)CC1,COVJJXFKTGGRRP-UHFFFAOYSA-N
-rxn:4:212587:222621,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cn3)C2)cc1,ZLRRALXTPPCAFH-UHFFFAOYSA-N
-rxn:4:212587:224322,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cn3)C2)cc1,BWUXROQBFSHUDV-UHFFFAOYSA-N
-rxn:4:212604:222540,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cc1[N+](=O)[O-],HGDNISBDHQGOAL-UHFFFAOYSA-N
-rxn:4:212605:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WYXFQMIGZCZHDF-UHFFFAOYSA-N
-rxn:4:212623:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)ccc3CC(=O)N3CCCC(COc4ncccn4)C3)ccn2)CC1,ZHWIAHUCHNGLKI-UHFFFAOYSA-N
-rxn:4:212635:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,HGGVDWGKHVATKH-UHFFFAOYSA-N
-rxn:4:212639:222581,CC(C)NS(=O)(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,IODBTGXAUCASFG-UHFFFAOYSA-N
-rxn:4:212651:226892,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cc(F)cc(C(F)(F)F)c2Cl)CC1,GNMPWDCUFMVFAO-UHFFFAOYSA-N
-rxn:4:212654:222684,CCn1c(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)cnc1SCC(=O)N1CCCCC1,OPGIUXXRORVMCR-UHFFFAOYSA-N
-rxn:4:212659:224759,CCOc1ccc(CN2CCC(Oc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)cc1,JCTQWOWIONNDJY-UHFFFAOYSA-N
-rxn:4:212665:225943,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)C1,AVMVDBYUKWSUBP-UHFFFAOYSA-N
-rxn:4:212674:224612,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,MCQZBWBHMMVCEN-UHFFFAOYSA-N
-rxn:4:212677:222632,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2)nn1,WVDBIEATMCUXFS-UHFFFAOYSA-N
-rxn:4:212691:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,VXRMFMWWVVJFFJ-UHFFFAOYSA-N
-rxn:4:212707:224612,COc1ccc(C2=NN(C(=O)c3ccccc3-c3ccc(OCCN4CCOCC4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,IUGIVPJWZPYSAZ-UHFFFAOYSA-N
-rxn:4:212721:222684,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,DLFSDXDBWJZQPT-UHFFFAOYSA-N
-rxn:4:212721:226659,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCCC4)c(Cl)c3)n2)CC1,ZFEDPJNXKXFUTI-UHFFFAOYSA-N
-rxn:4:212732:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)c1,DAKXOUVDGKLUIR-UHFFFAOYSA-N
-rxn:4:212732:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(S(=O)(=O)c4ccc(C(=O)N5CCN(Cc6ccccc6)CC5)cn4)cc3)ccc21,WHSWNLDVPLOGJA-UHFFFAOYSA-N
-rxn:4:212738:223239,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CCCN4)c3)cc2N2CCOCC2)CC1,BKUOWGROFRJQAZ-UHFFFAOYSA-N
-rxn:4:212754:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CC(=O)OC)c(F)c2)CC1,LRKADCRNLAYQQD-UHFFFAOYSA-N
-rxn:4:212768:224017,CCOC(=O)c1nc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2,RELQJBOPURHALS-UHFFFAOYSA-N
-rxn:4:212775:224767,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cccc(C(=O)N4CCOCC4)c3F)ccc21,VJFTXNFICYBDJD-UHFFFAOYSA-N
-rxn:4:212781:223893,CCN1CCN(CCOc2cccc(-c3cccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)c3)c2)CC1,VHSXQGVROFUDAJ-UHFFFAOYSA-N
-rxn:4:212786:222684,COCCn1c(=NC(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)sc2cc(S(N)(=O)=O)ccc21,QDWSCPIMJXEMDD-UHFFFAOYSA-N
-rxn:4:212786:224612,COCCn1c(=NC(=O)c2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)sc2cc(S(N)(=O)=O)ccc21,JUCMSALKITYUBR-UHFFFAOYSA-N
-rxn:4:212798:226844,CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2cccc(OCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c2C1=O,JJAXYJONMGNKBG-UHFFFAOYSA-N
-rxn:4:212927:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCc4nc(C#N)c(N5CCOCC5)o4)cc3)c2)CC1,MMLQFEWHEDMCCL-UHFFFAOYSA-N
-rxn:4:212931:222684,COc1cncc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)C2)n1,RSHYOGLXCJEMLU-UHFFFAOYSA-N
-rxn:4:212932:222540,COc1nccnc1OC1CCN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)o2)C1,CFYNHQPVWPNPLD-UHFFFAOYSA-N
-rxn:4:212934:222684,O=C(c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1Cl)N1CCN=C1SCc1cccnc1,UOHQBHJJJJWHOH-UHFFFAOYSA-N
-rxn:4:212943:226844,CCOC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,SQZVWNGECKMYJG-UHFFFAOYSA-N
-rxn:4:212944:226017,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(OC)c2)CC1,MMMXJZGOVMUSOM-UHFFFAOYSA-N
-rxn:4:212989:222496,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)s2)CC1,BQQROGQMQIDUSP-UHFFFAOYSA-N
-rxn:4:212989:222564,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(C(=O)NCc4ccc(Cl)cc4)c3)s2)CC1,JHARGNXISJJGMF-UHFFFAOYSA-N
-rxn:4:212989:223110,CC(C)(C)NCc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,QLOXJBUFIOVKAT-UHFFFAOYSA-N
-rxn:4:212989:223506,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,LLXBNTNAYKKVJF-UHFFFAOYSA-N
-rxn:4:212989:223508,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)s2)CC1,KVDCAWQZRDEMJJ-UHFFFAOYSA-N
-rxn:4:212989:223597,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)s2)CC1,ZNDVHZACHOEGRJ-UHFFFAOYSA-N
-rxn:4:212989:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)cc1,SVQMIVSJXXHZPW-UHFFFAOYSA-N
-rxn:4:212989:225655,CC1CCN(c2cncc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,AGVXJTYKRAFMSY-UHFFFAOYSA-N
-rxn:4:213011:223945,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,NFLPGOYUDPUBJI-UHFFFAOYSA-N
-rxn:4:213016:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(CSc5nccn5C)CC4)o3)c2)CC1,WMEWXPRQFDVRIU-UHFFFAOYSA-N
-rxn:4:213018:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(C(=O)C5(c6ccc(F)cc6)CC5)C4)c3)c2)CC1,IBQTYADPKVYOEW-UHFFFAOYSA-N
-rxn:4:213053:226340,N#Cc1cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c(Cl)c(C2CC2)c1,OEGUDXJODHWUBS-UHFFFAOYSA-N
-rxn:4:213061:223897,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc1OCCCN1CCOCC1,HYAJFKWIISSUFA-UHFFFAOYSA-N
-rxn:4:213066:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)c1,SUJVTFIORXJJRE-UHFFFAOYSA-N
-rxn:4:213080:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RVCCMYIWKJOPDI-UHFFFAOYSA-N
-rxn:4:213098:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,RCUJZOKPVBKUSA-UHFFFAOYSA-N
-rxn:4:213100:226715,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(C(=O)OC(C)(C)C)c3)c(C(F)(F)F)n2)CC1,LLVVSOJWUMRMGD-UHFFFAOYSA-N
-rxn:4:213113:224198,CCN1CCN(Cc2ccc(-c3cnc(OC4CCCN(S(=O)(=O)Cc5ccc(Cl)cc5)C4)nc3)c(F)c2)CC1,SFPCWEYJZRVYEK-UHFFFAOYSA-N
-rxn:4:213125:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,RRPYJSHJRNFAEX-UHFFFAOYSA-N
-rxn:4:213127:224351,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)ccn2)CC1,CXWVUGJQYWEAGI-UHFFFAOYSA-N
-rxn:4:213136:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cc1Cl,VEQXTZYDURRZQC-UHFFFAOYSA-N
-rxn:4:213144:227261,CCCOc1ccc(F)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,SAFMQGNRVFOLEC-UHFFFAOYSA-N
-rxn:4:213146:223753,Cc1ccc(-c2ccccc2C(=O)N2CCC(CSc3nccn3C)CC2)cc1OCCCN1CCN(C)CC1,AYBIJLGZTNHLNJ-UHFFFAOYSA-N
-rxn:4:213146:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3CCC(CSc4nccn4C)CC3)cc2)CC1,SWWAUZBDKFWCBX-UHFFFAOYSA-N
-rxn:4:213147:222741,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CC1,AQPPKLKBVJGRCZ-UHFFFAOYSA-N
-rxn:4:213168:222684,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nn2)CC1,OVHRNHKIBXEAAT-UHFFFAOYSA-N
-rxn:4:213179:224306,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)c3)CC2)nn1,QRXHDZHQYPRNQI-UHFFFAOYSA-N
-rxn:4:213180:224767,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)N5CCOCC5)c4F)cn3)CC2)c(C)o1,ILEIWFIKPOZVRE-UHFFFAOYSA-N
-rxn:4:213192:225076,COC(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c2cccnc12,RNSWZPHCLDJJFY-UHFFFAOYSA-N
-rxn:4:213192:228223,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4CC4)nc3F)n2)CC1,MXHYIIBQTBBGLX-UHFFFAOYSA-N
-rxn:4:213192:228232,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CC4)c3)n2)CC1,NYXFJRSPAGODRW-UHFFFAOYSA-N
-rxn:4:213203:225233,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(C)C5)c4)cc3)CC2)nn1,RXHPCTNQDLRHFT-UHFFFAOYSA-N
-rxn:4:213205:224773,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cc3)C2)nc1,PQUODOXGTGXGDV-UHFFFAOYSA-N
-rxn:4:213213:223279,CN(c1cccc(-c2cnc(C3CCCN3)nc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,UFHPBDHNDGVTIZ-UHFFFAOYSA-N
-rxn:4:213216:227346,CCCc1cc(F)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c(F)c1,BVNSAIBBVCCBOB-UHFFFAOYSA-N
-rxn:4:213239:222684,O=C(c1cncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,NXQAZGTWWPCDBU-UHFFFAOYSA-N
-rxn:4:213258:223239,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cncc(C2CCCN2)c1,NKYQYNKXALHGII-UHFFFAOYSA-N
-rxn:4:213261:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KWZWFNQUMIVIBU-UHFFFAOYSA-N
-rxn:4:213264:222584,O=C(Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VMEKGABBYNQMIM-UHFFFAOYSA-N
-rxn:4:213280:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)c1,VJXADIYRLMIESJ-UHFFFAOYSA-N
-rxn:4:213281:228028,Cn1cc2c(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cccc2n1,JLPJIORPISCNHB-UHFFFAOYSA-N
-rxn:4:213301:223755,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)ccc21,IMQMJNLQOUKNIW-UHFFFAOYSA-N
-rxn:4:213347:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CSc4nc5c(c(=O)n4-c4ccc([N+](=O)[O-])cc4)SCC5)cc3)ccc2F)CC1,NZWGOFCZTYOJGU-UHFFFAOYSA-N
-rxn:4:213383:224791,CCOc1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(C(=O)OC(C)C)cc5[N+](=O)[O-])cc4s3)CC2)cc1,RTZHOJGBEPFCOY-UHFFFAOYSA-N
-rxn:4:213392:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(Cc5ccc6c(c5)OCCO6)C4)nc3)c(F)cc2C)CC1,YQODRJORHCNNPL-UHFFFAOYSA-N
-rxn:4:213406:222540,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3s2)CC1,CILQIBSPWPWNTD-UHFFFAOYSA-N
-rxn:4:213408:222540,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)nc3ccccn3c2=O)SC1=S,ZCCYQHSOWMWYGC-UHFFFAOYSA-N
-rxn:4:213424:225517,CN(C)CCCOc1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,LSNZKWWWCCPVSG-UHFFFAOYSA-N
-rxn:4:213446:222632,COc1ccc(C2=NN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C(c3cc4ccc(C)cc4nc3Cl)C2)cc1,PNVUTHLPGBRYGF-UHFFFAOYSA-N
-rxn:4:213447:224612,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,SNJDTDAVMRHOBS-UHFFFAOYSA-N
-rxn:4:213458:222632,COc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,RHOYIEHEKXTLOQ-CKOYEXALSA-N
-rxn:4:213604:223755,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cn2)C1,WONFBYNVGDGUDR-UHFFFAOYSA-N
-rxn:4:213632:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)c1,LNKDOSHSFZFHFO-UHFFFAOYSA-N
-rxn:4:213680:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)CC1,PVJQRSCDODGULS-UHFFFAOYSA-N
-rxn:4:213756:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,WKQJKWAXSRODES-UHFFFAOYSA-N
-rxn:4:213760:224941,O=C(C1CCOCC1)N1CC(Cn2cc(-c3ccc(CCN4CCOCC4)cc3)cn2)C1,QRFDHTNIUKOVNP-UHFFFAOYSA-N
-rxn:4:213765:224718,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,IGVARAWIGCIWBF-UHFFFAOYSA-N
-rxn:4:213777:224395,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,OEBRYBJOFWFXHC-UHFFFAOYSA-N
-rxn:4:213801:224718,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,GMYNCIZRENOGLR-UHFFFAOYSA-N
-rxn:4:213801:225898,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,AUFRUEJWUDWSLY-UHFFFAOYSA-N
-rxn:4:213805:222584,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,SIVSXZGRAZGSAG-UHFFFAOYSA-N
-rxn:4:213805:225979,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,FELRSFUQFUBLLX-UHFFFAOYSA-N
-rxn:4:213806:223753,Cc1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCC4)n3)cc2)cc1OCCCN1CCN(C)CC1,FMYAJNISLLMHGJ-UHFFFAOYSA-N
-rxn:4:213822:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5ccnc(C)n5)C4)c3)cc2)CC1,ZTTLXNDKOBDVCA-UHFFFAOYSA-N
-rxn:4:213841:224973,CN1CCN(Cc2cccc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)c2)CC1,MUUOLWHYQSSUDL-UHFFFAOYSA-N
-rxn:4:213870:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccccc5F)CC4)nc3)cc2)CC1,GTAZGASUTGPVLL-UHFFFAOYSA-N
-rxn:4:213872:222891,COc1cc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)cc(C2CCNCC2)n1,LNUISYUHGIOFSI-UHFFFAOYSA-N
-rxn:4:213874:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,SIQXLQBPSDHPJT-UHFFFAOYSA-N
-rxn:4:213898:223676,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(OCc4ccccc4)cc(C(F)(F)F)c3F)cn2)CC1,GYGZCNSKVOREQG-UHFFFAOYSA-N
-rxn:4:213908:222684,CC(C)c1nnc(C2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)o1,WCEUUHNPJKEPMO-UHFFFAOYSA-N
-rxn:4:213924:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)cc1OCCCN1CCN(C)CC1,XPOJRCRTUDLMKP-UHFFFAOYSA-N
-rxn:4:213931:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,DRMYJQRXAKGRKL-UHFFFAOYSA-N
-rxn:4:213931:223897,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCCCN1CCOCC1,SROPRXCGSAHENU-UHFFFAOYSA-N
-rxn:4:213931:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,JRHRNRCGZUUNRE-UHFFFAOYSA-N
-rxn:4:213932:223490,Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UXWOIKRQPONPIR-UHFFFAOYSA-N
-rxn:4:213932:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,FVUGHLXONDFMEL-UHFFFAOYSA-N
-rxn:4:213933:225142,Cc1cnn(-c2ccc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)cc2C#N)c1,ZEDLIRDUEQMAII-UHFFFAOYSA-N
-rxn:4:213938:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1OCCCN1CCN(C)CC1,ASVJJLHPCBWRPA-UHFFFAOYSA-N
-rxn:4:213944:223777,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)[nH]1,MVMDKIPIXCXDOA-UHFFFAOYSA-N
-rxn:4:213968:222684,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)c1,AOGKACSNDLNVRI-UHFFFAOYSA-N
-rxn:4:213968:224566,COC(=O)C1(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5cc(C)ccc5C)C4)nc3)cc2)CCCC1,VMQBGVJCPZQNGM-UHFFFAOYSA-N
-rxn:4:213972:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,ZLTCUDYGNYLLOA-UHFFFAOYSA-N
-rxn:4:213974:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c(F)c2)CC1,YNSPBMMZXSXZLX-UHFFFAOYSA-N
-rxn:4:213980:224162,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)n1,LHEDGUVWAXRLPU-UHFFFAOYSA-N
-rxn:4:213983:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1F,PEMZOPAXCBHBDX-UHFFFAOYSA-N
-rxn:4:213990:222791,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl,PDDSUDFJOFYZNY-UHFFFAOYSA-N
-rxn:4:214002:222540,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,OLSPUXNISMDFGS-UHFFFAOYSA-N
-rxn:4:214008:224890,CC(C)c1sc(-c2cc(C3CC3)cc(N3CCCC3)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,YVXDCXYFGRNFCJ-UHFFFAOYSA-N
-rxn:4:214015:222827,N#CC1CCN(Cc2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2N2CCOCC2)CC1,XHIGXFIOVGPENA-UHFFFAOYSA-N
-rxn:4:214017:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,MKGWFEGWIOTQQY-UHFFFAOYSA-N
-rxn:4:214018:224612,CC(=O)N1N=C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1c1ccc(N(C)C)cc1,RYHLXPLAPKXVRR-UHFFFAOYSA-N
-rxn:4:214019:222684,CN1CCN(c2ccc(/C=C(\C#N)c3ccccc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,XIUJJTGMWZTYGW-HPNDGRJYSA-N
-rxn:4:214027:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,VYVGJNXFIHFLJS-UHFFFAOYSA-N
-rxn:4:214029:227236,CCOC(=O)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1,QNTKVQJMIHCTSA-UHFFFAOYSA-N
-rxn:4:214033:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,XUEWEXPNPQIMEA-JWQCQUIFSA-N
-rxn:4:214033:226645,CC(C)[C@H]1COC(c2cc(-c3ccnc(N4CCOCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ZJJSCMTUKQOPEY-DHIUTWEWSA-N
-rxn:4:214036:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccc(N(C)C)cc3)C2)cc1,YYXKOTAUDVPFFZ-UHFFFAOYSA-N
-rxn:4:214037:222848,CCc1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)cc(C2CCCNC2)n1,ZNJQUJSCRXWLBZ-UHFFFAOYSA-N
-rxn:4:214046:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c1,HEWIJYQEGLOWTK-RBUKOAKNSA-N
-rxn:4:214047:223289,CNS(=O)(=O)c1ccccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C,FSHLYWVUTNGFAC-UHFFFAOYSA-N
-rxn:4:214050:223181,CCNS(=O)(=O)c1cccc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)c1,NIZNYKFXNVFDNW-SJORKVTESA-N
-rxn:4:214054:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cc2)c1,ODQIGHUYGXSKSE-UHFFFAOYSA-N
-rxn:4:214058:222418,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)CC2)CC1,BHIQDOSIAZDUSP-UHFFFAOYSA-N
-rxn:4:214058:224610,CCCCc1nc(-c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)no1,SAUXNYUSKTZHOH-UHFFFAOYSA-N
-rxn:4:214064:222432,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2N2CCOCC2)CC1,OKHKIZGMHRWCQL-UHFFFAOYSA-N
-rxn:4:214064:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,LDJHZQKCVBIALA-UHFFFAOYSA-N
-rxn:4:214068:222684,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)no3)CC2)cc1,RLFZCBSOXHRXBB-UHFFFAOYSA-N
-rxn:4:214074:222702,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,KWNLRZFELROISV-UHFFFAOYSA-N
-rxn:4:214074:225723,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,QZHULWKDHRDJBP-UHFFFAOYSA-N
-rxn:4:214146:225975,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccnc(N3CCOCC3)c2Cl)C1,NQHBNRFOKYPSOA-UHFFFAOYSA-N
-rxn:4:214191:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc3ccn(CC(=O)N4CCN(C(C)=O)CC4)c3c2)c1,OGTZLDKVLYFFJQ-UHFFFAOYSA-N
-rxn:4:214231:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc3nc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)cc1,AIQUZRYMQULWDF-UHFFFAOYSA-N
-rxn:4:214246:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n4C)cc2)CC1,HEWKTJDYDZCGJD-UHFFFAOYSA-N
-rxn:4:214273:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,AAHNSHXIHCFKEO-FQEVSTJZSA-N
-rxn:4:214296:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,DRKWHSZKMBSQMC-UHFFFAOYSA-N
-rxn:4:214302:222684,COc1ccc2cc(C3CC(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,JMTFUEABHXEZEF-UHFFFAOYSA-N
-rxn:4:214306:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1,BXGNBXDCWGBTQB-UHFFFAOYSA-N
-rxn:4:214339:222926,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cnc(N6CCCC(O)C6)nc5C)ccc43)C2=O)cc1,BFRUWKCIJCBVPU-UHFFFAOYSA-N
-rxn:4:214342:222702,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)CC2)c2ccccc2n1,QFROWZJPMHJHTK-UHFFFAOYSA-N
-rxn:4:214349:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c(Cl)c2)CC1,CAIQNMZCNZONJK-UHFFFAOYSA-N
-rxn:4:214388:224678,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(C(=O)N5CCCCC5)c4)c(OC)cc12)CC3,KRLLIKDBOXXIMH-UHFFFAOYSA-N
-rxn:4:214629:223712,COc1ccc(-c2cnc(CCC3CCCN3C)cn2)cc1C12CC3CC(CC(C3)C1)C2,GVEKOQOQTLNNKB-UHFFFAOYSA-N
-rxn:4:214682:223812,CCN1CCN(C(=O)c2ccc(F)c(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)n2)CC1,VRYVDUCXNIXYQC-UHFFFAOYSA-N
-rxn:4:214706:222432,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,AFYYWEBEIPXAFK-UHFFFAOYSA-N
-rxn:4:214715:223637,CCN1CCN(c2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc(F)c2[N+](=O)[O-])CC1,JVLHFZDDDCRFHA-UHFFFAOYSA-N
-rxn:4:214715:225294,CCN1CCN(c2ncc(-c3cc(F)c([N+](=O)[O-])c(N4CCN(CC)CC4)c3)cn2)CC1,GXGXDCSJZXBETM-UHFFFAOYSA-N
-rxn:4:214730:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1,REXWVAKRYILINZ-UHFFFAOYSA-N
-rxn:4:214742:224198,CCN1CCN(Cc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)c(F)c2)CC1,JKHIJPXCGQCMCV-UHFFFAOYSA-N
-rxn:4:214744:222684,CN(C)C1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(C#N)c2)CC1,UVIURNFFCNLAAE-UHFFFAOYSA-N
-rxn:4:214787:224290,O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)CCN1c1ccccn1,BVEHJOZAVMYNSB-UHFFFAOYSA-N
-rxn:4:214804:225093,CCCOc1c(Cl)cc(-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCC,XJHGUPQTWQDMSS-UHFFFAOYSA-N
-rxn:4:214818:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,SEWGUASNZCZRLX-UHFFFAOYSA-N
-rxn:4:214819:226222,CCCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cn1,ZDVRCVAMYNSBHL-UHFFFAOYSA-N
-rxn:4:214829:226844,O=C(C1CN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,GNPRLTFLWPYUQQ-UHFFFAOYSA-N
-rxn:4:214835:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,LDFOLVFOTUFJEQ-UHFFFAOYSA-N
-rxn:4:214835:224290,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)CCO1)N1CCOCC1,RWMACRHCMSFPAX-UHFFFAOYSA-N
-rxn:4:214836:222916,O=C(NC1=NCCS1)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,DELWRKXIKXHQMK-UHFFFAOYSA-N
-rxn:4:214838:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,WIOYLMCVPCMMNP-UHFFFAOYSA-N
-rxn:4:214857:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(c5ccn(C)n5)CC4)cc3)cc2F)CC1,SGOLBPRJPUOVPK-UHFFFAOYSA-N
-rxn:4:214867:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,LZVIBFQLKLVTIM-UHFFFAOYSA-N
-rxn:4:214867:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)c1,ABVDQCGZCGGJMR-UHFFFAOYSA-N
-rxn:4:214867:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)CC1,JALHDXZQQGHLOL-UHFFFAOYSA-N
-rxn:4:214867:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,WTUAAQGZTWJDGT-UHFFFAOYSA-N
-rxn:4:214872:226222,CCCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,JDFPBPWRBXSIEH-UHFFFAOYSA-N
-rxn:4:214873:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,XLMSCODEOFGKCP-UHFFFAOYSA-N
-rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
-rxn:4:214882:223036,CC(C)(C)C(=O)Nc1ccc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cn1,OSOGRZAEQHGJFQ-UHFFFAOYSA-N
-rxn:4:214885:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1)N1CCC(F)(F)CC1,PBQCUOUTUOKVBF-UHFFFAOYSA-N
-rxn:4:214896:222580,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,CYTJNBRZHAMGLZ-UHFFFAOYSA-N
-rxn:4:215164:224195,CCN1CCN(Cc2cc(-c3ccc4c(c3)sc(=NC(=O)CN3C(=O)c5ccccc5C3=O)n4C)ccc2Cl)CC1,SGSQJYDUCNTQTF-UHFFFAOYSA-N
-rxn:4:215184:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,SCZUGQLQQPWWLK-UHFFFAOYSA-N
-rxn:4:215198:224251,CC1CCCN(C(=O)c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)C1,QUJASEYQLBAATN-UHFFFAOYSA-N
-rxn:4:215232:225297,O=C(C1CCCN(c2ccc3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3n2)C1)N1CCOCC1,CXAZKIHPHWNDNM-UHFFFAOYSA-N
-rxn:4:215240:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NN(c5ccccc5)C5C(=O)N(c6ccc7c(c6)OCCO7)C(=O)C45)cc3)c2)CC1,WGYIOYQSYJJWKE-UHFFFAOYSA-N
-rxn:4:215249:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CSC4=Nc5ccccc5C5=NC(=O)CN45)cc3)cc2)CC1,XSUPXDUNIMSXMZ-UHFFFAOYSA-N
-rxn:4:215309:223833,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccc(Oc4ccc(C(F)(F)F)cc4Cl)cc3)cccc1-2,AFVSECHPASWFBO-DEOSSOPVSA-N
-rxn:4:215738:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])cc(N4CCOCC4)n3)cc2)CC1,BLQOKHJGPZXUPK-UHFFFAOYSA-N
-rxn:4:215740:223945,Cn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C(=O)N1CCC(F)(F)C1,DULNKSNQSUOPRA-UHFFFAOYSA-N
-rxn:4:215925:223787,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)n1,MRZWHVSGZZIDQK-UHFFFAOYSA-N
-rxn:4:215929:223753,CSc1ncc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(N2CCCCCC2)n1,OVPRIYLCRIDJFU-UHFFFAOYSA-N
-rxn:4:215940:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc(N3CCC(N(C)C)CC3)cn2)CC1,KFRSNEXCOKRPRQ-UHFFFAOYSA-N
-rxn:4:215941:223835,Cc1cc(F)c(-c2ccncc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,OPWPCSXTUKSOEL-UHFFFAOYSA-N
-rxn:4:215942:223835,Cc1cc(F)c(-c2ncccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,MIXKIWVFKPHDKH-UHFFFAOYSA-N
-rxn:4:215943:223835,Cc1cc(F)c(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,PNZNJTUXTNOXLH-UHFFFAOYSA-N
-rxn:4:215944:223835,Cc1cc(F)c(-c2cccc(N3CCC(N(C)C)CC3)n2)cc1S(=O)(=O)N1CCC(C)CC1,VFYJFEGPCVJVLI-UHFFFAOYSA-N
-rxn:4:215947:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(N4CCCC4)cc(C(C)(C)C)n3)c(F)cc2C)CC1,BRNZMUKVHUKBQN-UHFFFAOYSA-N
-rxn:4:215953:223835,Cc1cc(F)c(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,QWSHCDUHEKSPHB-UHFFFAOYSA-N
-rxn:4:215955:223835,Cc1cc(F)c(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,ZLKMZWPUFAVYFB-UHFFFAOYSA-N
-rxn:4:215956:223835,Cc1cc(F)c(-c2cncc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,GDPDHRQVXXBLKT-UHFFFAOYSA-N
-rxn:4:215957:223835,Cc1cc(F)c(-c2cccnc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,DXKNFQFEPHFAHY-UHFFFAOYSA-N
-rxn:4:215965:223834,Cc1cc(-c2cc(N3CCC(C)CC3)nc(C3CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CKDPUBDHGFQKJW-UHFFFAOYSA-N
-rxn:4:215966:223895,CCN1CCN(CCOc2ccc(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)cc2)CC1,GEDSLXWABGILLI-UHFFFAOYSA-N
-rxn:4:215987:224064,CC1CCCCN1c1cc(-c2nc(N3CCCCC3C)cc(C(C)(C)C)n2)cc(C2CC2)c1,XDESKOJPIFYKGW-UHFFFAOYSA-N
-rxn:4:215988:223895,CCN1CCN(CCOc2ccc(-c3nc(N4CCCC(C)C4)cc(C(C)(C)C)n3)cc2)CC1,JAXARTWXGYLFNO-UHFFFAOYSA-N
-rxn:4:216053:223542,COC(=O)c1cc(Cl)nn2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cnc12,LXISXGAJFWVTHO-UHFFFAOYSA-N
-rxn:4:216423:223492,Cc1cc(-c2cn(C)nc2[N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SMDPMYZZAPZSIU-UHFFFAOYSA-N
-rxn:4:217084:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC=CCC4)nc3)cc2[N+](=O)[O-])CC1,UEVKGUUVHYSLMJ-UHFFFAOYSA-N
-rxn:4:217199:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZARUONUVYFAGPT-UHFFFAOYSA-N
-rxn:4:217199:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(C)CC3)c(F)c2)CC1,HFVLHJYAQWSBFQ-UHFFFAOYSA-N
-rxn:4:217202:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)C(=O)C3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,YRQUOBAKLXINEN-UHFFFAOYSA-N
-rxn:4:217202:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCN(C)C(=O)C1,MGNUORHIRZJKMU-UHFFFAOYSA-N
-rxn:4:217210:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,JSTNVQDZGTYMNA-UHFFFAOYSA-N
-rxn:4:217210:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cnc1N1CCN(C)CC1,BPYBOWDJBCMVRW-UHFFFAOYSA-N
-rxn:4:217211:223841,Cc1cc(F)c(-c2ccc(N3CCCN(C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,GSHLZSXNHBGNPT-UHFFFAOYSA-N
-rxn:4:217211:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCN(C)CC3)nc2)CC1,RRGQNJJVFOWNAA-UHFFFAOYSA-N
-rxn:4:217212:223841,Cc1cc(F)c(-c2c(C)ccnc2N2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,QLGFOEIRFXKRBC-UHFFFAOYSA-N
-rxn:4:217212:223842,Cc1ccnc(N2CCN(C)CC2)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,HOCRIBZNKQLTIW-UHFFFAOYSA-N
-rxn:4:217213:223841,Cc1cc(N2CCN(C)CC2)ncc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,AIMAMIGXUURVNP-UHFFFAOYSA-N
-rxn:4:217213:223842,Cc1cc(N2CCN(C)CC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,JNCJHBMWHMXJOU-UHFFFAOYSA-N
-rxn:4:217214:223841,Cc1cc(F)c(-c2ccc(N3CCN(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,AIACLXKLQPKLBO-UHFFFAOYSA-N
-rxn:4:217214:223842,Cc1nc(N2CCN(C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,WPRFSYOYPHZRCL-UHFFFAOYSA-N
-rxn:4:217215:223841,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,ZSVDCRRIMTZKCS-UHFFFAOYSA-N
-rxn:4:217889:223993,Cc1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,GVUMHNWMSFOFHA-UHFFFAOYSA-N
-rxn:4:217889:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,NUXPKVWKNXVYBY-UHFFFAOYSA-N
-rxn:4:217889:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)C1,YGQKTRCZHYJQBW-UHFFFAOYSA-N
-rxn:4:217889:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,WWAILCCXPMJRGU-GSELWCBASA-N
-rxn:4:217905:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C3CC(c5ccc(C)o5)=NN3C3(CCN(C)CC3)O4)cc2)CC1,LWBFJQSVAMQEOL-UHFFFAOYSA-N
-rxn:4:218555:222684,O=C(CSc1ccncc1)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,OMXLSINRJGSCFO-UHFFFAOYSA-N
-rxn:4:218586:224751,N#Cc1ccc(CN2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cn3)C2)c(F)c1,MAHXEPORSCIKCI-UHFFFAOYSA-N
-rxn:4:218587:222844,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(NC(=O)C5CCCC5)c4)cn3)CC2)cc1,UTFOQDAOAAFTND-UHFFFAOYSA-N
-rxn:4:218600:225877,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,RQMRHNDNGMQPNE-UHFFFAOYSA-N
-rxn:4:218662:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCN(C(=O)c4cccc(N(C)C)c4)CC3)nc2)cc1Cl,MJXMXCZPIWDKDD-UHFFFAOYSA-N
-rxn:4:218666:225233,CC1CCCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cnc2Cl)C1,QLKFAPBINGRBBE-UHFFFAOYSA-N
-rxn:4:218686:229161,COc1ncncc1-c1cnccc1N1CCC(OCC#CCN2CCN(C)CC2)CC1,SHIYXLLKMMSBNT-UHFFFAOYSA-N
-rxn:4:218698:223279,O=C(C1CC(=O)N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YGVIGWWIGDCNTE-UHFFFAOYSA-N
-rxn:4:218714:227734,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Cl)cc([N+](=O)[O-])c4C)c3C)CC2)c(C)c1,SVRNDIXAZIPECE-UHFFFAOYSA-N
-rxn:4:218768:224352,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(C2CCCOC2)c(C(F)(F)F)c1,RJOCUXLYWHNVMX-UHFFFAOYSA-N
-rxn:4:218772:224198,CCN1CCN(Cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)c(F)c2)CC1,ZBJHFFCBSOBUSL-UHFFFAOYSA-N
-rxn:4:218772:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCOCC1,SWBIIRCQRSUQTE-UHFFFAOYSA-N
-rxn:4:218815:223976,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cn2)C1,SZPXMRZUMPJHNU-UHFFFAOYSA-N
-rxn:4:218834:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)cc2F)CC1,NJTGMWMVTGOSEG-UHFFFAOYSA-N
-rxn:4:218867:223166,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCNCC4)nc3)c2)no1,NTWVBXGBNDEEFL-UHFFFAOYSA-N
-rxn:4:218867:223168,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCNCC3)c2)no1,IJCXOOWWCCRRKT-UHFFFAOYSA-N
-rxn:4:218867:223753,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)no1,SVQLMGQXSZUACE-UHFFFAOYSA-N
-rxn:4:218867:225799,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cncc(OC4CCOCC4)c3)c2)no1,QGHYXFBTJHPDPO-UHFFFAOYSA-N
-rxn:4:218867:226675,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCC4)nc3Cl)c2)no1,BIADLADOXSAGEZ-UHFFFAOYSA-N
-rxn:4:218868:223055,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCNCC4)nc3C)cc2)no1,CVYBBEONDXFZTA-UHFFFAOYSA-N
-rxn:4:218875:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCc4nc(C#N)c(N5CCN(C)CC5)o4)cc3)c2)CC1,GHNBIWCXNFDCHJ-UHFFFAOYSA-N
-rxn:4:218876:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cncc(N(C)C)n4)C3)o2)cc1OCCCN1CCN(C)CC1,DUOSYQXLNHFQFT-UHFFFAOYSA-N
-rxn:4:218886:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c2)CC1,NBMKIJCZNPXONL-UHFFFAOYSA-N
-rxn:4:218888:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cnoc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,WRQPSCRGEVOXNA-UHFFFAOYSA-N
-rxn:4:218944:227684,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnn(CC4OCCO4)c3)cc2[N+](=O)[O-])CC1,BZYMVLPARDLYJV-UHFFFAOYSA-N
-rxn:4:218945:223085,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(N4CCC(O)C4)c3)cncc2[N+](=O)[O-])CC1,QNBBHOVDRGPDRJ-UHFFFAOYSA-N
-rxn:4:218947:222684,CSc1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(N2CCCC(COc3ccncc3)C2)n1,RNIYJMNJWVQSDQ-UHFFFAOYSA-N
-rxn:4:218971:222584,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)s1,ABPOZXBCQKOPMQ-UHFFFAOYSA-N
-rxn:4:218972:222546,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)s1,CVNLOTSDVGJOLX-UHFFFAOYSA-N
-rxn:4:218972:223814,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cn3)C2)s1,SYXGXZVUSQHBNB-UHFFFAOYSA-N
-rxn:4:218992:228281,COc1cc(Cl)c(C)c(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,XMMFSDKLMQMKLN-UHFFFAOYSA-N
-rxn:4:218998:223945,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,UYIXHIHZDHYGHS-UHFFFAOYSA-N
-rxn:4:219001:223490,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)C(=O)C1=O,OCKLDJRPGUKLEN-UHFFFAOYSA-N
-rxn:4:219013:226470,CCOC(=O)CCc1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cs1,SPUZRXRQKAITKT-UHFFFAOYSA-N
-rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
-rxn:4:219061:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c1Cl,PLERQOHSQPGKJW-UHFFFAOYSA-N
-rxn:4:219071:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc(-c5ccc(C)cc5)[nH]n4)CC3)cc2)c1,JHRDRVAOKOHKMV-UHFFFAOYSA-N
-rxn:4:219074:223755,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cc4)n[nH]3)CC2)c1,QVWONFCPHZWPPW-UHFFFAOYSA-N
-rxn:4:219078:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4)CC3)cc2)CC1,BGQQQJVFCKQVJH-UHFFFAOYSA-N
-rxn:4:219093:224169,CCC(=O)C1=C(c2ccc(-c3cccc(OCCCN4CCOCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,GSFCNKVXCSZLIY-UHFFFAOYSA-N
-rxn:4:219093:224317,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)cc2)N(C(=O)CC)n2cnnc2S1,ZTXIPHFXVOAGPP-UHFFFAOYSA-N
-rxn:4:219093:224613,CCC(=O)C1=C(c2ccc(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)cc2)N(C(=O)CC)n2cnnc2S1,WIXRLKGBZDDQEP-UHFFFAOYSA-N
-rxn:4:219120:223553,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2)cc1,OPRDZIHGDTWPIO-UHFFFAOYSA-N
-rxn:4:219120:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)CC1,BTUUONCEKFUESX-UHFFFAOYSA-N
-rxn:4:219132:224198,CCN1CCN(Cc2ccc(-c3cnc(OC4CCCN(C(=O)Cn5ccc6ccccc65)C4)nc3)c(F)c2)CC1,WMPOMZSMRUUTSU-UHFFFAOYSA-N
-rxn:4:219182:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,GVIXMFYAZOSARS-UHFFFAOYSA-N
-rxn:4:219184:225313,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,LGXPVZOJFOPRMO-UHFFFAOYSA-N
-rxn:4:219238:223841,Cc1cc(F)c(-c2cnc(OC3CCN(C(=O)c4ccno4)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,ODHOVHDRCFHVGV-UHFFFAOYSA-N
-rxn:4:219257:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)o3)c(F)c2)CC1,ULXAFYJLARAXIN-UHFFFAOYSA-N
-rxn:4:219360:222584,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,LTTGMRCESFTZGJ-UHFFFAOYSA-N
-rxn:4:219374:222634,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)nn2)CC1,WEDUTRFGSPIDFO-UHFFFAOYSA-N
-rxn:4:219375:225723,CN(C)CCOc1ccc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)cc1Cl,MXRMNSAOCXZDOC-UHFFFAOYSA-N
-rxn:4:219402:225800,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)N4CCSC4)cc3)cn2)CC1,PVAZSUGKNBDGPR-UHFFFAOYSA-N
-rxn:4:219407:223933,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)CC1,PZMIOSISJLWSDB-UHFFFAOYSA-N
-rxn:4:219414:226256,CCCCOc1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,SIQMUIOJPIYULP-UHFFFAOYSA-N
-rxn:4:219431:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,XSIQAUXMXZSUNO-UHFFFAOYSA-N
-rxn:4:219431:223697,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)c(C(F)(F)F)c1)N1CCCCC1,BCSWLJYJAREZRL-UHFFFAOYSA-N
-rxn:4:219432:222723,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)C2)cn1C,RPFLAUJZNVYLSI-UHFFFAOYSA-N
-rxn:4:219436:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)cc2)CC1,YIVSBFCAGCMXFZ-UHFFFAOYSA-N
-rxn:4:219471:223787,CSc1ncc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BUZBXLGGVJXHTH-UHFFFAOYSA-N
-rxn:4:219477:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,VKFRETRALUFAES-UHFFFAOYSA-N
-rxn:4:219492:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)c3)c2)CC1,LWFFMIQYESNGNA-UHFFFAOYSA-N
-rxn:4:219496:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C)c(C(=O)N(C)C3CN(c4ccc(C)nn4)C3)c2)CC1,GQGFPWPNJXLDJV-UHFFFAOYSA-N
-rxn:4:219498:224318,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,VWXQRHOTNDORKO-UHFFFAOYSA-N
-rxn:4:219498:227248,CCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1,FBWPGCOQWBOFGK-UHFFFAOYSA-N
-rxn:4:219503:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CC(=O)N4CCN(c5ncnc(C)c5F)CC4)cc3)c2)CC1,AEFFCQSIGWJNKR-UHFFFAOYSA-N
-rxn:4:219506:225462,CC1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)CC1,QVEYJOCRJMDHGW-UHFFFAOYSA-N
-rxn:4:219521:225387,Cn1nc(C2CCN(C(=O)c3ccc(-c4cc([N+](=O)[O-])cc(C(F)(F)F)c4F)o3)CC2)n(C2CC2)c1=O,MUASOGWGDUGDRZ-UHFFFAOYSA-N
-rxn:4:219533:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,IFWJKXMQMRORST-UHFFFAOYSA-N
-rxn:4:219535:224155,CN1CCN(c2cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cc(C3CC3)c2)CC1,JWEGWJGAWHAGAP-UHFFFAOYSA-N
-rxn:4:219535:225213,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(Cl)c2)CC1,QCOLNAKZIFTRSU-UHFFFAOYSA-N
-rxn:4:219539:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccccc2C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)c1,MPWRQCKCFRIWSY-UHFFFAOYSA-N
-rxn:4:219591:223539,COc1ccc(-c2ccc3c(C(=O)N4CC(Oc5nccs5)C4)n(C)nc3c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,MSDHXYKRYJSLDH-UHFFFAOYSA-N
-rxn:4:219653:224668,CCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,BRGAFEAHXSLDPO-UHFFFAOYSA-N
-rxn:4:219654:222684,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc23)CC1,PYDOWOXDDUHEKD-UHFFFAOYSA-N
-rxn:4:219664:222684,O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3s2)CC1,NGAJTIGWYZLCTG-UHFFFAOYSA-N
-rxn:4:219675:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)c2)CC1,FYNSEHHEPDYQLB-UHFFFAOYSA-N
-rxn:4:219687:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,MAOIJUHGUGVBQJ-UHFFFAOYSA-N
-rxn:4:219691:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3n2)C1,UROBYJULOOEPFG-UHFFFAOYSA-N
-rxn:4:219694:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(c5ccccn5)CC4)c3)ccc2F)CC1,NQHBTVNUVAEKQG-UHFFFAOYSA-N
-rxn:4:219706:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc2F)CC1,AGXGYENFMCLPND-UHFFFAOYSA-N
-rxn:4:219706:223895,CCN1CCN(CCOc2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc2)CC1,JHCFZBANLCLRJB-UHFFFAOYSA-N
-rxn:4:219706:224668,CCN1CCN(c2cc(F)cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2)CC1,FCSYBCXXCATLTQ-UHFFFAOYSA-N
-rxn:4:219706:226472,CN(C)CCOc1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccn1,MPWKFPQUYOAXQH-UHFFFAOYSA-N
-rxn:4:219745:224769,COc1ccc(-c2ccc(N3CCCC3)cc2C(F)(F)F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,RKELYCGQJOMCTH-UHFFFAOYSA-N
-rxn:4:219767:225984,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(Cl)c(N6CCOCC6)c5)cc4)nc2=O)CCC3)CC1,MLFKERAITOZWOV-UHFFFAOYSA-N
-rxn:4:219769:225977,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,SVOURUIKHXDLJK-UHFFFAOYSA-N
-rxn:4:219778:223755,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,DSOYAJAJQIKQDJ-UHFFFAOYSA-N
-rxn:4:219778:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(-c5cn(CC)c6cc(N7CCC(C)CC7)c(F)cc6c5=O)n4)cc3)cc2)CC1,SHNUDQLKYQMPGM-UHFFFAOYSA-N
-rxn:4:219793:224485,CC1CCN(C(=O)CSc2nc3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3c3nc4ccccc4n23)CC1,JNKZYVGVHMTLMQ-UHFFFAOYSA-N
-rxn:4:219823:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc([N+](=O)[O-])c1Oc1cnn(C)c1,HREDITUROSPAGB-UHFFFAOYSA-N
-rxn:4:219861:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(n5nccn5)C4)c3C)ccc2OC)CC1,TXMITIROXCIUSN-UHFFFAOYSA-N
-rxn:4:219891:224491,CC(C)N(Cc1cc(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)ccc1F)C(C)C,ZTBKHSGUJIZNNJ-UHFFFAOYSA-N
-rxn:4:219901:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,JTJJEHRMMSCFQK-UHFFFAOYSA-N
-rxn:4:219934:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc2cccnc21,HEIITZJVPJBNQQ-UHFFFAOYSA-N
-rxn:4:219938:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)cc2F)CC1,KPPOEKOJDKVPMG-UHFFFAOYSA-N
-rxn:4:219976:223525,Cc1ccc(N2CCN(Cc3cccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)nn1,SZQNLHZGRWMZJK-UHFFFAOYSA-N
-rxn:4:219988:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C,ADCFCAQYVXMSRT-UHFFFAOYSA-N
-rxn:4:219991:225220,CC1CCCCN1c1ncc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cc1Cl,YLXQCKDFVFNGRG-UHFFFAOYSA-N
-rxn:4:219995:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(c5ccnc(C6CC6)n5)CC4)c3)cc2)CC1,UEAZOAYZSUIHMX-UHFFFAOYSA-N
-rxn:4:220120:223753,Cc1ccc(-c2ccc(C(=O)N3C4CCC3CC(n3ccnn3)C4)cc2)cc1OCCCN1CCN(C)CC1,HUYYTKHLOKEZQC-UHFFFAOYSA-N
-rxn:4:220121:223753,Cc1ccc(-c2cccc(C(=O)N3C4CCC3CC(n3cncn3)C4)c2)cc1OCCCN1CCN(C)CC1,KOMJQLVFNXJIIF-UHFFFAOYSA-N
-rxn:4:220136:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1,OGKAWHSPWQVHQU-UHFFFAOYSA-N
-rxn:4:220161:224258,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N6CCCCC6C)cc5Cl)c(C)c4)C3C2=O)c1,YDEHFYBKNXKDPH-UHFFFAOYSA-N
-rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
-rxn:4:220243:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4noc(-c5cn(C)c6cc(N7CCC(C)CC7)c(F)cc6c5=O)n4)cc3)ccc2F)CC1,KYPCFKCDCSSROJ-UHFFFAOYSA-N
-rxn:4:220267:222684,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)c4ccccc4N23)c1C,YWQSSZSMMGQRJC-UHFFFAOYSA-N
-rxn:4:220399:222439,CN1CCN(c2c(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cncc2[N+](=O)[O-])CC1,ATSVRTGNKVBTFY-UHFFFAOYSA-N
-rxn:4:220443:223755,CCC(=O)N1CCn2nc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)nc2C1,FEMXCUVYMWBAIC-UHFFFAOYSA-N
-rxn:4:220444:223588,Cc1cc(-c2cnc3[nH]nc(C(=O)N4CCC4)c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NMGROKFDCIIEFD-UHFFFAOYSA-N
-rxn:4:220475:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])c(N4CCCCC4)c4nsnc34)c(F)cc2C)CC1,XXBHDZSPJKDOPQ-UHFFFAOYSA-N
-rxn:4:220491:222546,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)nc2C1,ZEVCQGBNBOTCJU-UHFFFAOYSA-N
-rxn:4:220540:222540,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)C3C2=O)c1,LBADEYIHTGZDOH-UHFFFAOYSA-N
-rxn:4:220544:222540,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c(C)c4)C3C2=O)cc1F,CNOXEITZHRLKLU-UHFFFAOYSA-N
-rxn:4:220551:223755,Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1)C3,ASZJWNJOPHEURJ-UHFFFAOYSA-N
-rxn:4:221101:223777,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cn2)C1,PMEZMUAGUDGTBG-UHFFFAOYSA-N
-rxn:4:221105:223054,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)C2)nc1C,JJQCZZZUVKHXNX-UHFFFAOYSA-N
-rxn:4:221105:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cn(CC)c(C)n5)C4)nc3)ccc2F)CC1,WGGCKLJTNXLYFZ-UHFFFAOYSA-N
-rxn:4:221107:225875,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)c(=O)c1C,ORXMJZUIGKBGIX-UHFFFAOYSA-N
-rxn:4:221108:223533,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)c(=O)c1C,CTZKYPFXFKVFMN-UHFFFAOYSA-N
-rxn:4:221110:228373,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(Cl)c(C#N)c4F)cn3)CC2)CC1,YKEZPQMKFCSHRU-UHFFFAOYSA-N
-rxn:4:221110:229220,Cc1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c(C)s1,OTKVNZNTTLKCAO-UHFFFAOYSA-N
-rxn:4:221110:229225,CCn1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)cn1,ZLQPSNQQWQQSNU-UHFFFAOYSA-N
-rxn:4:221112:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,GRNIXFHWLDNJPG-UHFFFAOYSA-N
-rxn:4:221116:229211,CCOc1ccc(-c2cccnc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,JHKFTUJTYIQFLY-UHFFFAOYSA-N
-rxn:4:221121:222399,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)Nc6nc[nH]n6)c5)ccc43)CC2)CC1,MDZQNOWHUDSTJN-UHFFFAOYSA-N
-rxn:4:221121:222652,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,VBEHIGVQLKGMFG-UHFFFAOYSA-N
-rxn:4:221121:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,XNAVELXDELNMKS-UHFFFAOYSA-N
-rxn:4:221121:222794,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6cnccn6)cc5)ccc43)CC2)CC1,YKSCMFLJDXZGMF-UHFFFAOYSA-N
-rxn:4:221121:222840,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CNc6ccccn6)cc5)ccc43)CC2)CC1,BGDPJRGDCNHVLE-UHFFFAOYSA-N
-rxn:4:221121:222847,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)cc(C6CCCNC6)c5)ccc43)CC2)CC1,MCIWTOBNJXLKJR-UHFFFAOYSA-N
-rxn:4:221121:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ZJHUMWWFYWUUBU-UHFFFAOYSA-N
-rxn:4:221121:222963,CCCNC(=O)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,HQGWAAXMPRZEHQ-UHFFFAOYSA-N
-rxn:4:221121:222964,C#CCCC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,UYQKLYGNRVHGMS-UHFFFAOYSA-N
-rxn:4:221121:222980,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCNCC6)cc5)ccc43)CC2)CC1,SDXHXLJKJGEFKX-UHFFFAOYSA-N
-rxn:4:221121:223012,COC(=O)c1cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2[nH]1,MIIUOLHPNFSUKN-UHFFFAOYSA-N
-rxn:4:221121:223081,CNc1nnc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)s1,WMPXHDNSCAZTTK-UHFFFAOYSA-N
-rxn:4:221121:223087,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)cc6[nH]ncc56)ccc43)CC2)CC1,DGWPLQBQXXYCGV-UHFFFAOYSA-N
-rxn:4:221121:223104,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC(=O)C(F)(F)F)cc5)ccc43)CC2)CC1,FDIQBZWTLNZGRP-UHFFFAOYSA-N
-rxn:4:221121:223211,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c2cc[nH]c12,GGTKSWUYNUGGFB-UHFFFAOYSA-N
-rxn:4:221121:223297,Cc1ccc2[nH]c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2c1,NQVOKYKVNLDILC-UHFFFAOYSA-N
-rxn:4:221121:223561,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(C(=O)OC(C)(C)C)c6ccccc6)cc5)ccc43)CC2)CC1,MWMRHZHGNQFYJT-UHFFFAOYSA-N
-rxn:4:221121:223865,CC(C)c1ccc(OCc2ccccc2)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,SRZOVDFISKZSGG-UHFFFAOYSA-N
-rxn:4:221121:223867,CC1CCN(CCCOc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,NCKZGKUWGSLDIB-UHFFFAOYSA-N
-rxn:4:221121:223961,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)N(C)c6ccccc6)cc5)ccc43)CC2)CC1,KHIMXIMIVGXLTM-UHFFFAOYSA-N
-rxn:4:221121:224040,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(ccn6Cc6ccccc6)c5)ccc43)CC2)CC1,OPUDIMRDSREXLV-UHFFFAOYSA-N
-rxn:4:221121:224071,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc([Si](C)(C)C)cc6)cc5)ccc43)CC2)CC1,QGQVDEOJFCYTPC-UHFFFAOYSA-N
-rxn:4:221121:224135,COC(=O)c1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,OHXMLAUGCNRZKQ-UHFFFAOYSA-N
-rxn:4:221121:224227,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(OCc6ccccc6)cc5F)ccc43)CC2)CC1,WJWVKQWUMQTMIX-UHFFFAOYSA-N
-rxn:4:221121:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,JUOVDJLGZLOVLK-UHFFFAOYSA-N
-rxn:4:221121:224384,Cc1cnn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C(F)(F)F)c2)c1,SHVIPXJRBHPVFY-UHFFFAOYSA-N
-rxn:4:221121:224388,Cc1nccn1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,SLVNANJCLCQLDZ-UHFFFAOYSA-N
-rxn:4:221121:224441,CCOc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,CNQDLHNYOZXIEC-UHFFFAOYSA-N
-rxn:4:221121:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1)C(C)C,IJSXBSTYYVTGQS-UHFFFAOYSA-N
-rxn:4:221121:224499,CC(C)Cn1cc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cn1,GZHNZSFTEVKPAE-UHFFFAOYSA-N
-rxn:4:221121:224533,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6Cl)cc5)ccc43)CC2)CC1,RPYNEXPJQIXITO-UHFFFAOYSA-N
-rxn:4:221121:224577,Cc1cn(-c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc(C3CC3)c2)cn1,DNAPOVDHBSRFMQ-UHFFFAOYSA-N
-rxn:4:221121:224674,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6cccc(C#N)c6)c(Cl)c5)ccc43)CC2)CC1,YZPZBDRELVPHCA-UHFFFAOYSA-N
-rxn:4:221121:224853,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCC(C)(C)CC6)cc5)ccc43)CC2)CC1,RKEWOUOEZIVXKV-UHFFFAOYSA-N
-rxn:4:221121:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,NIINDBVBBRTIKZ-UHFFFAOYSA-N
-rxn:4:221121:225218,CC1CCCN(c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)C1,IDTVRAYIWYWVCW-UHFFFAOYSA-N
-rxn:4:221121:225229,Cc1cccc(-c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(Cl)n2)c1,VEIFRTDLKQPYQL-UHFFFAOYSA-N
-rxn:4:221121:225244,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6cccc(F)c6F)c5)ccc43)CC2)CC1,WVTXCRAQDMMTAO-UHFFFAOYSA-N
-rxn:4:221121:225274,COCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)c1F,NLMUTQBXDVIKOF-UHFFFAOYSA-N
-rxn:4:221121:225307,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6COC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,OTAOFCRTFJTZIN-UHFFFAOYSA-N
-rxn:4:221121:225482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)cc5F)ccc43)CC2)CC1,JNCCIAVJSVCFKC-UHFFFAOYSA-N
-rxn:4:221121:225580,CCn1cc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cn1,BEPCVXHFBVCKOP-UHFFFAOYSA-N
-rxn:4:221121:225603,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C6(C#N)CCC6)c5F)ccc43)CC2)CC1,SRWBEEROLPABEZ-UHFFFAOYSA-N
-rxn:4:221121:225608,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccn6)cc5)ccc43)CC2)CC1,OFEJFYDSTAAVQW-UHFFFAOYSA-N
-rxn:4:221121:225627,COc1cccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,OHCWSQXWYXEGEC-UHFFFAOYSA-N
-rxn:4:221121:225645,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C)c2)n1,GNINLXPKTQRABQ-UHFFFAOYSA-N
-rxn:4:221121:225647,Cc1cnn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C)c2)c1,OHXXTUWAULKQRL-UHFFFAOYSA-N
-rxn:4:221121:225723,CN(C)CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,CQCYIJGSZBZADW-UHFFFAOYSA-N
-rxn:4:221121:225902,CON(C)C(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,XMQUWOBRODDCKZ-UHFFFAOYSA-N
-rxn:4:221121:225909,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,FVKGCSHOLZXJBJ-UHFFFAOYSA-N
-rxn:4:221121:225992,CC(C)Cn1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)n1,ZWFKSYNPRYNPEZ-UHFFFAOYSA-N
-rxn:4:221121:226129,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CN6CCCC6)c5)ccc43)CC2)CC1,ZSIXMMWSKNFOKA-UHFFFAOYSA-N
-rxn:4:221121:226196,Cc1sc(-c2ccccc2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,HWKRGTHYTPZHGO-UHFFFAOYSA-N
-rxn:4:221121:226203,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(cnn6C6CC6)c5)ccc43)CC2)CC1,WGHUIWQRCNTSJD-UHFFFAOYSA-N
-rxn:4:221121:226281,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CC(=O)N(C)C)cc5)ccc43)CC2)CC1,WTMNOHQEGZXKRU-UHFFFAOYSA-N
-rxn:4:221121:226323,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC6CCCC6)nc5)ccc43)CC2)CC1,MCFWITCPESZHGB-UHFFFAOYSA-N
-rxn:4:221121:226434,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(-n6cccc6)c5)ccc43)CC2)CC1,UIHIJXVUIOJZKF-UHFFFAOYSA-N
-rxn:4:221121:227138,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(C#N)cc6s5)ccc43)CC2)CC1,VEKKZLXTOHWXBS-UHFFFAOYSA-N
-rxn:4:221121:227255,COC(=O)Cc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HOFCPOBGEXTKIV-UHFFFAOYSA-N
-rxn:4:221121:227257,CCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,QCYDEMIKDZPKFW-UHFFFAOYSA-N
-rxn:4:221121:227275,CCCOc1c(F)cccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,XRGABAIWUJVJAE-UHFFFAOYSA-N
-rxn:4:221121:227491,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(OC6CCC6)nc5)ccc43)CC2)CC1,JISMHFBWFQSIKL-UHFFFAOYSA-N
-rxn:4:221121:227544,COC(=O)c1ccc(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,KDILTWGQJIFPRT-UHFFFAOYSA-N
-rxn:4:221121:227567,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)c1OC,GYSLANXWYXNBFF-UHFFFAOYSA-N
-rxn:4:221121:227797,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)c(F)cc5[N+](=O)[O-])ccc43)CC2)CC1,UNXKPBURPVDIPY-UHFFFAOYSA-N
-rxn:4:221121:228173,CCOc1cc(F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,MWAZREWBSRGKJR-UHFFFAOYSA-N
-rxn:4:221121:228192,Cc1nc(N(C)C)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,BADWYENPESAPFB-UHFFFAOYSA-N
-rxn:4:221121:228311,CCCc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)n1,OJVOKHJSCIZORF-UHFFFAOYSA-N
-rxn:4:221121:228798,CSc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,VEHZODPMZZNVJQ-UHFFFAOYSA-N
-rxn:4:221121:228892,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)nc(C#N)c5)ccc43)CC2)CC1,NSCGPRRVSAXMTP-UHFFFAOYSA-N
-rxn:4:221121:229077,CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn1,MWICIHZZDMOIPW-UHFFFAOYSA-N
-rxn:4:221121:229103,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(Cl)n1,CWMJXJIQWAIGNG-UHFFFAOYSA-N
-rxn:4:221124:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCOC)c(C)cn56)n(C)c4=O)cc3)ccc2F)CC1,URQKOMZLWANEBW-UHFFFAOYSA-N
-rxn:4:221127:223841,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)nnn3c3ccsc23)CC1,KSVJKZMAXYWJAN-UHFFFAOYSA-N
-rxn:4:221169:222847,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C#N)cc(C5CCCNC5)c4)cn3)C2)cn1,YHXPKJIHCVRBHX-UHFFFAOYSA-N
-rxn:4:221172:222584,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccc1=O,PMTRAZUOPUFTNJ-UHFFFAOYSA-N
-rxn:4:221175:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)cc2)CC1,PCPLBFMJBPELTJ-UHFFFAOYSA-N
-rxn:4:221175:228724,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C#N)cc4Cl)cn3)C2)C(=O)C1=O,GMDUIVKNBCYSGR-UHFFFAOYSA-N
-rxn:4:221175:228731,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(Cl)c4C#N)cn3)C2)C(=O)C1=O,JTFYWZKYVUQZKP-UHFFFAOYSA-N
-rxn:4:221175:228740,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C#N)cc4F)cn3)C2)C(=O)C1=O,PXVDFSJCASKYOU-UHFFFAOYSA-N
-rxn:4:221175:228741,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ccc4Cl)cn3)C2)C(=O)C1=O,JHTYNFJIPQNOKN-UHFFFAOYSA-N
-rxn:4:221175:228749,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ccc4F)cn3)C2)C(=O)C1=O,PQXXZRJOYYFEEG-UHFFFAOYSA-N
-rxn:4:221180:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c2)CC1,OGJWPGQEIXTEMH-UHFFFAOYSA-N
-rxn:4:221184:223755,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)C2)n1,YIMILTJQTSPUFJ-UHFFFAOYSA-N
-rxn:4:221190:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)cc2)CC1,UBLQDCAGCXTSMH-UHFFFAOYSA-N
-rxn:4:221193:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2F)CC1,OJHJTVMMEHFHLM-UHFFFAOYSA-N
-rxn:4:221193:224324,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)cn3)C2)CC1,AWLKRZCBRPWGIM-UHFFFAOYSA-N
-rxn:4:221194:224375,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)cn3)CC2)cn1C,WQBUCJLQZIEDDI-UHFFFAOYSA-N
-rxn:4:221194:227657,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCOCC5)s4)cn3)CC2)cn1C,NYRQYFKMJSHTNP-UHFFFAOYSA-N
-rxn:4:221204:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccn1)C(F)(F)F,CFNYGCDDZBKNBN-UHFFFAOYSA-N
-rxn:4:221205:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,VZEYJXQAEREGGX-UHFFFAOYSA-N
-rxn:4:221206:222684,Clc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccc1OCCN1CCNCC1,AMOQEUWNRJSOPP-UHFFFAOYSA-N
-rxn:4:221206:224089,CC1CCN(CCOc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)ncn5)CC4)cc3)cc2)CC1,XKWYPIQQKPWRSI-UHFFFAOYSA-N
-rxn:4:221208:224198,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,VLIHYLZEBPBBFG-UHFFFAOYSA-N
-rxn:4:221217:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc5nnc(SCC(=O)N6CCCC6)n5n4)cc3)cc2)CC1,IUDPGGPTEYUECW-UHFFFAOYSA-N
-rxn:4:221228:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)cc2F)CC1,CMZNXQFTGAMWLH-UHFFFAOYSA-N
-rxn:4:221229:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cnc6ccccc6n5)C4)nc3)c2)CC1,XMRPBYSIOYJHGX-UHFFFAOYSA-N
-rxn:4:221249:225557,COC(=O)C1(c2ccc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)cc2)CC1,ZRGFDIPMWNSKLF-UHFFFAOYSA-N
-rxn:4:221249:225943,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C(=O)N6CCOCC6)s5)cnn4c3)cc2)CC1,NRTNIJMWMWXYRB-UHFFFAOYSA-N
-rxn:4:221261:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCO)c(C)cn56)n(C)c4=O)cc3)ccc2F)CC1,LAYNWRMWDDNNBC-UHFFFAOYSA-N
-rxn:4:221375:223602,Cn1cnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cc1=O,FRLNKDXPQKCJOZ-UHFFFAOYSA-N
-rxn:4:221378:222826,CC(C)c1noc(C2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3C#N)CC2)n1,COTAHPHHSUTKPY-UHFFFAOYSA-N
-rxn:4:221389:224485,Cc1ncnc(N2CCCC(COc3ncc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cn3)C2)c1C,ATZUHRFSWGYCRX-UHFFFAOYSA-N
-rxn:4:221398:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(C)CC5)CC4)nc3)cc2F)CC1,FVWMCMJCCYEMJD-UHFFFAOYSA-N
-rxn:4:221402:222540,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)n1,WBPFGESILJEHRO-UHFFFAOYSA-N
-rxn:4:221410:223979,CN(C)c1cc(N2CCN(Cc3ccc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cc3)CC2)ncn1,OMWMADBTIIHTKC-UHFFFAOYSA-N
-rxn:4:221413:224356,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc2sc(Cl)cc21,YQULALKQQKQMNR-UHFFFAOYSA-N
-rxn:4:221413:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c(Cl)c2)CC1,ZOYJRWSBYUHWNO-UHFFFAOYSA-N
-rxn:4:221418:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCN(c5ccc(-c6ccccc6C)nn5)CC4)c3)c(F)cc2C)CC1,JMVFEVYSNYACQS-UHFFFAOYSA-N
-rxn:4:221422:224817,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IFPIUAXWBHVRIN-UHFFFAOYSA-N
-rxn:4:221422:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1C,LJAWBGBFEWXSER-UHFFFAOYSA-N
-rxn:4:221430:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCN(c5c(C)nn(-c6ccccc6)c5C)CC4)c3)c(F)cc2C)CC1,XLXNZICTMHYYMV-UHFFFAOYSA-N
-rxn:4:221430:224327,Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)c2)CC1,NSTPWJKTLKSCAW-UHFFFAOYSA-N
-rxn:4:221433:224397,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cc3)CC2)n1,NRVYSSWYGWODOP-UHFFFAOYSA-N
-rxn:4:221440:222985,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,OCSSTRRDETVZME-UHFFFAOYSA-N
-rxn:4:221440:226844,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,PCOIIZBWHDYYPK-UHFFFAOYSA-N
-rxn:4:221440:227080,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCCC5)c4)cc3)CC2)n1,HWTLOPLJFSWSHA-UHFFFAOYSA-N
-rxn:4:221442:222714,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)CC2)n1,HIWOFJXQZWFXDP-UHFFFAOYSA-N
-rxn:4:221447:222537,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VECYJOQDSLFFSW-UHFFFAOYSA-N
-rxn:4:221447:222694,Cc1cc(N2CCN(Cc3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,BEQFQVDAXIQTLK-UHFFFAOYSA-N
-rxn:4:221447:222861,CCCCNC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,PHILGQXMDLBOQN-UHFFFAOYSA-N
-rxn:4:221447:222864,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCNC(C)C)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,ROLBHFOPSBYUDX-UHFFFAOYSA-N
-rxn:4:221447:222883,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4Cl)cc3)CC2)nc(N2CCOCC2)n1,KOMNUOLOVMEVBP-UHFFFAOYSA-N
-rxn:4:221447:222999,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,DXCALCCVZICEHR-UHFFFAOYSA-N
-rxn:4:221447:223042,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC(C)C)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,NAEOXBRTEYDIKI-UHFFFAOYSA-N
-rxn:4:221447:223045,Cc1cc(N2CCN(Cc3ccc(-c4cc(C(=O)NC(C)C)ccc4F)cc3)CC2)nc(N2CCOCC2)n1,WZEKCYGCNSKRRF-UHFFFAOYSA-N
-rxn:4:221447:223046,Cc1cc(N2CCN(Cc3ccc(-c4ccc(F)c(C(=O)NC5CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,XTAXOEGCDDCCEY-UHFFFAOYSA-N
-rxn:4:221447:223660,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)CC2)nc(N2CCOCC2)n1,VWKLGYVNOGDGHN-UHFFFAOYSA-N
-rxn:4:221447:224462,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,KJCDHFLOOXPCEK-UHFFFAOYSA-N
-rxn:4:221447:226488,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCCF)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,DGJOLUWTQUGBIQ-UHFFFAOYSA-N
-rxn:4:221447:226610,CCc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,CNHRCNACAUKAEY-UHFFFAOYSA-N
-rxn:4:221453:227259,COc1ccc(CSC)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,HUBXBXFGNODGJY-UHFFFAOYSA-N
-rxn:4:221455:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)cc2F)CC1,GYEXCYGSUWXOCV-UHFFFAOYSA-N
-rxn:4:221456:223295,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2)n1,FQEUJGXJCJMOLX-UHFFFAOYSA-N
-rxn:4:221456:228209,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)c(C)cc4Cl)cc3)CC2)n1,GPAWIDDCSIFTBJ-UHFFFAOYSA-N
-rxn:4:221456:228214,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)cc4F)cc3)CC2)n1,KEJXUEIBTQGACR-UHFFFAOYSA-N
-rxn:4:221456:228215,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(C#N)c4F)cc3)CC2)n1,HQJBFOBNSKPOMW-UHFFFAOYSA-N
-rxn:4:221456:228216,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CC5)c4Cl)cc3)CC2)n1,PNPICJZXRGUETC-UHFFFAOYSA-N
-rxn:4:221456:228218,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ncc4F)cc3)CC2)n1,WCQFAIOXUVLAAT-UHFFFAOYSA-N
-rxn:4:221456:228221,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CC5)c4)cc3)CC2)n1,KTVNQVAKAGVSIZ-UHFFFAOYSA-N
-rxn:4:221456:228225,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4C4CC4)cc3)CC2)n1,VBVXXYGYHFOHDS-UHFFFAOYSA-N
-rxn:4:221456:228226,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(Cl)c4C)cc3)CC2)n1,GZTQEELGWQLJNR-UHFFFAOYSA-N
-rxn:4:221498:224196,CCN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,DUOVFHANTLMXND-UHFFFAOYSA-N
-rxn:4:221515:223053,CC(C)NC(=O)c1ccc(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)c(F)c1,UIXSQXOWZXQFNN-UHFFFAOYSA-N
-rxn:4:221522:223532,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,KLPLFXCNMHKFQS-UHFFFAOYSA-N
-rxn:4:221561:223960,CCC(C)n1c(C)cn2c3c(=O)n(Cc4ccc(-c5ccc(F)c(C(=O)N6CCN(CC)CC6)c5)cc4)c(=O)n(C)c3nc12,WEOAYFWJOAMRMV-UHFFFAOYSA-N
-rxn:4:221604:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(-n3cnnn3)cc2C(=O)N2CCSCC2)CC1,UAQVSYMPTLYEMR-UHFFFAOYSA-N
-rxn:4:221609:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,ALZCPSYHYMQATJ-UHFFFAOYSA-N
-rxn:4:221613:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(c5ncc(F)cn5)C(=O)C4)c3)cc2)CC1,ZFTIFKWXUSHENC-UHFFFAOYSA-N
-rxn:4:221621:224129,CN(C(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccncn3)CC2)c1)C1CCCCC1,XNKFJDLULPBCPE-UHFFFAOYSA-N
-rxn:4:221708:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(C)nc4nc(N5CC(Cn6ccnc6)C5)ccc4c3C)c(F)cc2C)CC1,LGKNOUABXVNXCL-UHFFFAOYSA-N
-rxn:4:221728:222584,Cn1nc(C2CCN(c3nc4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4s3)CC2)n(C2CC2)c1=O,SLKFNFKPDBYNGH-UHFFFAOYSA-N
-rxn:4:221730:222540,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,HZFHRAQOYRWUTQ-UHFFFAOYSA-N
-rxn:4:221735:222632,Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)n(C)c1=O,ZMRCVFZVMNLPJB-UHFFFAOYSA-N
-rxn:4:221746:223670,Cn1c(=O)n(Cc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(=O)c2c1nc1n2CCN1c1ccccc1,OESLCJPCGUJVQM-UHFFFAOYSA-N
-rxn:4:221762:222540,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1C(C)C,PRQRSXLYAYDXHQ-UHFFFAOYSA-N
-rxn:4:221836:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,YCORCIQMGRCXEF-UHFFFAOYSA-N
-rxn:4:221933:222657,CN(C(=O)c1cncc(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,PPTQZJPWIUVLSC-UHFFFAOYSA-N
-rxn:4:221945:223755,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)c4)C3)nn2)n1,LKUMDSYTZDKHBD-UHFFFAOYSA-N
-rxn:4:221947:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccc(F)cc4)CC3)o2)c1,YDXQKAKVHYMHKQ-UHFFFAOYSA-N
-rxn:4:221958:224196,CCc1nc(-c2ccc(N3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCN(CC)CC6)c5)c4)CC3)nc2)no1,RDACTMICHWVFGH-UHFFFAOYSA-N
-rxn:4:221960:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)cc2F)CC1,KHNLOOQOBYYDMO-UHFFFAOYSA-N
-rxn:4:221963:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCN4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)c(F)cc2C)CC1,IEKHEBGFFYZHFL-UHFFFAOYSA-N
-rxn:4:221965:224759,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)cc4)CC3)nn2)CC1,HZRIGBGOYASPEN-UHFFFAOYSA-N
-rxn:4:221980:222546,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)sc3n2)CC1,SHVGGODQUUFYMR-UHFFFAOYSA-N
-rxn:4:221981:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)c3)c2)CC1,WKCXIIOPHTUXHA-UHFFFAOYSA-N
-rxn:4:221989:222632,Cc1cn2c3c(=O)n(Cc4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN(C)C,GYESHEBTSXMZML-UHFFFAOYSA-N
-rxn:4:222021:222540,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)c1F,KZKHIQGNTCVSEB-UHFFFAOYSA-N
-rxn:4:222034:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)cc2)c1,HZCSUHFRYAOBEI-UHFFFAOYSA-N
-rxn:4:222044:224101,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(OCCN6CCC(C)CC6)c5)cc4)CC3)nn2)n1,MUSPOUDVRLVRJA-UHFFFAOYSA-N
-rxn:4:222044:224394,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCOCC6)c5)cc4)CC3)nn2)n1,JZHKYUOCXWWCDC-UHFFFAOYSA-N
-rxn:4:222054:224738,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)o4)CC3)nn2)CC1,AYYVIKSYTLQGGP-UHFFFAOYSA-N
-rxn:4:222059:222540,Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)CC3)nn2)c(C)c1C,LICPWSLTCJHUBT-UHFFFAOYSA-N
-rxn:4:222062:222560,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4F)cc3)CC2)n1,ROSABGHIBLZOLI-UHFFFAOYSA-N
-rxn:4:222071:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(Oc5cc(C)nc6ncnn56)C4)c3)ccc2C)CC1,CYNDGIKNCDXFIX-UHFFFAOYSA-N
-rxn:4:222089:222684,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,NURBUJFLULOCAC-UHFFFAOYSA-N
-rxn:4:222108:222582,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,BJRRLLRHBFVEQX-UHFFFAOYSA-N
-rxn:4:222108:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,UBUUMQKVSUGUMW-UHFFFAOYSA-N
-rxn:4:222108:222798,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6C)cc5)no4)C3C2=O)cc1F,OEXSIACSRAPIPC-UHFFFAOYSA-N
-rxn:4:222108:222803,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,AWKGJVUOWUWISA-UHFFFAOYSA-N
-rxn:4:222108:222829,CNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,XBGSFOLQIIMXFF-UHFFFAOYSA-N
-rxn:4:222108:222867,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1F,SJUIOVJGFGKJQO-UHFFFAOYSA-N
-rxn:4:222108:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,DSRXTGZRUBFHID-UHFFFAOYSA-N
-rxn:4:222108:222942,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,SWSKASAXKKCYBY-UHFFFAOYSA-N
-rxn:4:222108:222965,CCCC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,ZCFOAAVNGYXBIM-UHFFFAOYSA-N
-rxn:4:222108:222983,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)C7)c6)cc5)no4)C3C2=O)cc1F,VMEJLEUMKJXOBN-UHFFFAOYSA-N
-rxn:4:222108:222992,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7O)cc6)cc5)no4)C3C2=O)cc1F,DFDZFRRMADCPDQ-UHFFFAOYSA-N
-rxn:4:222108:223002,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1F,XXUDDXHHHQNSMA-UHFFFAOYSA-N
-rxn:4:222108:223103,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)s6)cc5)no4)C3C2=O)cc1F,UXLSFWWIPTVSJV-UHFFFAOYSA-N
-rxn:4:222108:223521,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1F,RGALXKNREPBVON-UHFFFAOYSA-N
-rxn:4:222108:223531,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,WFUDEMAXWKAJFZ-UHFFFAOYSA-N
-rxn:4:222108:223539,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,XGWSDZKRAAMZHT-UHFFFAOYSA-N
-rxn:4:222108:223699,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,CGMAERFUDPYMJQ-UHFFFAOYSA-N
-rxn:4:222108:223885,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)CC7)cc5)no4)C3C2=O)cc1F,DSWRXDNGRKXVSC-UHFFFAOYSA-N
-rxn:4:222108:223893,CCN1CCN(CCOc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)c2)CC1,AOKVAXGVEVCDGV-UHFFFAOYSA-N
-rxn:4:222108:223918,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)C7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1F,JSDAHSMYEPPMAR-UHFFFAOYSA-N
-rxn:4:222108:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)CC1,SOSVANNROBHRDZ-UHFFFAOYSA-N
-rxn:4:222108:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,KVUVZNNLGKLXOK-UHFFFAOYSA-N
-rxn:4:222108:224170,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,BDWLBUXCZJLJKD-UHFFFAOYSA-N
-rxn:4:222108:224172,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,LXLJBDISBPEXSY-UHFFFAOYSA-N
-rxn:4:222108:224566,COC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CCCC1,WXBUBBVCFGYMLD-UHFFFAOYSA-N
-rxn:4:222108:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,CUIRBNAAAXMRTE-UHFFFAOYSA-N
-rxn:4:222108:224758,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,XMOODMIKWAFHOJ-UHFFFAOYSA-N
-rxn:4:222108:224768,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(C(=O)N7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,ZVQADEASFUGMIL-UHFFFAOYSA-N
-rxn:4:222108:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,MUKVBSMUSAYVMB-UHFFFAOYSA-N
-rxn:4:222108:224845,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,DTABWCYAJXBKAR-UHFFFAOYSA-N
-rxn:4:222108:225008,COC1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,WYSJDMDNLQVZET-UHFFFAOYSA-N
-rxn:4:222108:225106,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1Cl,OXVBIEWWBDJWJN-UHFFFAOYSA-N
-rxn:4:222108:225205,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)c(C(F)(F)F)cc6C)cc5)no4)C3C2=O)cc1F,DZVPLWKOXHSWOR-UHFFFAOYSA-N
-rxn:4:222108:225217,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC(C)C7)cc6F)cc5)no4)C3C2=O)cc1F,KYMPJWLFYYOWHH-UHFFFAOYSA-N
-rxn:4:222108:225270,CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,BYTSIAWZCLKYQA-UHFFFAOYSA-N
-rxn:4:222108:225288,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,BANDKXVDFHIFDG-UHFFFAOYSA-N
-rxn:4:222108:225297,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,GVTNAAWMQDJMPN-UHFFFAOYSA-N
-rxn:4:222108:225329,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)c(C#N)c6)cc5)no4)C3C2=O)cc1F,KNHSOVOZRNYIIS-UHFFFAOYSA-N
-rxn:4:222108:225336,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1F,SFKPMLVNTLEFQM-UHFFFAOYSA-N
-rxn:4:222108:225363,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CC(F)(F)C7)nc6)cc5)no4)C3C2=O)cc1F,QWFPECDDVDRJQN-UHFFFAOYSA-N
-rxn:4:222108:225455,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7)ccc6C)cc5)no4)C3C2=O)cc1F,CXOBOSZDVYLYPI-UHFFFAOYSA-N
-rxn:4:222108:225590,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,UNGBEJKJRYYTIH-UHFFFAOYSA-N
-rxn:4:222108:225611,COc1cc(N2CCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,FJKITZHTPISNGK-UHFFFAOYSA-N
-rxn:4:222108:225821,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,NWALNUVBMOQBHA-UHFFFAOYSA-N
-rxn:4:222108:225889,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnn6COCC[Si](C)(C)C)cc5)no4)C3C2=O)cc1F,SEHZOOQMKSSXKZ-UHFFFAOYSA-N
-rxn:4:222108:225906,CON(C)C(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,JDXJAZFNKOSIEJ-UHFFFAOYSA-N
-rxn:4:222108:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,URCWWZHQRJCCNF-UHFFFAOYSA-N
-rxn:4:222108:225945,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C#CC(F)(F)F)c(F)c6)cc5)no4)C3C2=O)cc1F,WWLVAEJHFCHORI-UHFFFAOYSA-N
-rxn:4:222108:226006,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(OCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,VSLPGMBYICHGGH-UHFFFAOYSA-N
-rxn:4:222108:226662,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)s6)cc5)no4)C3C2=O)cc1F,QRSSPVVYEQYBJG-UHFFFAOYSA-N
-rxn:4:222120:224285,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1C,YMAQUDCHYKWSOX-UHFFFAOYSA-N
-rxn:4:222148:224008,O=C(c1cc(-c2cnc(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCOCC1,FRBYEKFMRMXFOJ-UHFFFAOYSA-N
-rxn:4:222162:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)c1,IKYAYGWMMAUKBS-UHFFFAOYSA-N
-rxn:4:222174:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)c2)CC1,KNKPBJJICRVAOA-UHFFFAOYSA-N
-rxn:4:222188:223694,CCc1ncnc(N2CC3CN(c4ncc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cn4)CC3C2)c1F,RXVZDHYTYBDOKK-UHFFFAOYSA-N
-rxn:4:222195:222632,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)CC1,YAKMCDJEIVJLJH-UHFFFAOYSA-N
-rxn:4:222210:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(n5nccn5)C4)nc3)cc2[N+](=O)[O-])CC1,MOVIWIDNOKFYSP-UHFFFAOYSA-N
-rxn:4:222235:224198,CCN1CCN(Cc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n5C(C)C(C)=NN6C)n(C)c4=O)cc3)c(F)c2)CC1,XPBAUIWZCFMCGB-UHFFFAOYSA-N
-rxn:4:222252:224325,CSc1ncc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,CBWYNOHCOYBMMY-UHFFFAOYSA-N
-rxn:4:222275:222584,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCCN7CCNCC7)c(F)c6)o5)CC4)ncnc32)cc1,LYECQSAXKHYQFJ-UHFFFAOYSA-N
-rxn:4:222280:222632,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(-c6cccc(C(=O)NCCN7CCCC7)c6)c5)CC4)ncnc32)cc1,LVVWDJCEURFDDE-UHFFFAOYSA-N
-rxn:4:222280:224198,CCN1CCN(Cc2ccc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(OC)cc5)CC4)c3)c(F)c2)CC1,SKTADXXHCMEZAC-UHFFFAOYSA-N
-rxn:4:222303:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)cc2)CC1,UZJPWUUFDOZWJB-UHFFFAOYSA-N
-rxn:4:222315:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)c3)ccc2F)CC1,NODDMUOQWXLJBU-UHFFFAOYSA-N
-rxn:4:222331:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(F)c2s1,QCOLYVJSPMJONA-UHFFFAOYSA-N
-rxn:4:222331:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cnc1Cl,UDMTURBRERMPMI-UHFFFAOYSA-N
-rxn:4:222331:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,LCSFPSMTDFQQDY-UHFFFAOYSA-N
-rxn:4:222332:222784,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1F,ZVTWYXLFRGGJPS-UHFFFAOYSA-N
-rxn:4:222345:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6C)CC4)o3)cc2)CC1,SJMUMXRHQTXGIQ-UHFFFAOYSA-N
-rxn:4:222347:222632,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5cccc(C(=O)NCCN6CCCC6)c5)c4)CC3)nn12,BQIKZJIVVJQKFE-UHFFFAOYSA-N
-rxn:4:222351:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)cc2)CC1,SXGSEOAUASJLBM-UHFFFAOYSA-N
-rxn:4:222380:222708,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)NC(=O)CC(C)C)cc6)cn5)CC4C3)ncnc21,HFPSADFJILKXDO-UHFFFAOYSA-N
-rxn:4:222380:223567,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc7cc(OC(C)C)ccc7n6C(=O)OC(C)(C)C)cn5)CC4C3)ncnc21,ITZCHPCILAGVRC-UHFFFAOYSA-N
-rxn:4:222380:223572,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC(C)CC7)c7ccccc67)cn5)CC4C3)ncnc21,AUVCONLJPIIXIG-UHFFFAOYSA-N
-rxn:4:222380:223823,CCn1cnc2c(N3CC4CN(c5ncc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,HADTUFQHDJVNKO-UHFFFAOYSA-N
-rxn:4:222387:223753,Cc1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1OCCCN1CCN(C)CC1,RBGMIVIIGJCFOF-UHFFFAOYSA-N
-rxn:4:222540:214859,Cn1ccc(C2CCCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)C2)n1,PEXRGMDIALBKIV-UHFFFAOYSA-N
-rxn:4:222541:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)NCCN2CCCCC2)cc1,HJSLPTFRACPCTF-UHFFFAOYSA-N
-rxn:4:222581:214153,CC(C)NS(=O)(=O)c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c2ccccc12,HKTSUGVWNJLHAX-QGZVFWFLSA-N
-rxn:4:222582:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1OC,OWEBFJJARGIHIL-UHFFFAOYSA-N
-rxn:4:222693:194407,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)o1)N1CC2CC1CS2(=O)=O,ORCHGNSDZWPQGA-UHFFFAOYSA-N
-rxn:4:222721:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,MJESLLBXHFFDSP-UHFFFAOYSA-N
-rxn:4:222723:218590,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,QJMYSKQVMNCJLT-UHFFFAOYSA-N
-rxn:4:222740:215275,CC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cc(C2CCCNC2)n1,KRMUNJGOQTVYJF-UHFFFAOYSA-N
-rxn:4:222742:199698,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,MODLPVTXSCIIBK-UHFFFAOYSA-N
-rxn:4:222821:204897,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c4c([nH]c3c2)CN(C(=O)OC(C)(C)C)CC4)ccc1F,GMBRYZVQOQBFJA-UHFFFAOYSA-N
-rxn:4:222852:214854,OC1CCN(Cc2cccc(-c3cnc(OC4CCN(C5CCOCC5)CC4)nc3)c2)CC1,BNXOKLAJOLBCFJ-UHFFFAOYSA-N
-rxn:4:222890:204131,COc1cc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)cc(C2CCCNC2)n1,SHYCEJSRXJPGPE-UHFFFAOYSA-N
-rxn:4:222902:199499,COC(=O)CNC(=O)c1cccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)c1,UQSVCGPMTGIDIN-UHFFFAOYSA-N
-rxn:4:222910:199589,CCCNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)cn2)c(C)c1,OMNYNBGMBXMJSK-UHFFFAOYSA-N
-rxn:4:222940:187384,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc(C3C(=O)CCN3C(=O)OC(C)(C)C)c2)c1,VQSSMHGNJGCJGW-UHFFFAOYSA-N
-rxn:4:222960:204073,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc(C)cc(C4CCNCC4)c3)c(C)cc2C)CC1,YLBMIALWXDXDFA-UHFFFAOYSA-N
-rxn:4:223061:187485,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCNCC2)ncc1F,WIRIKFWRILJBCD-UHFFFAOYSA-N
-rxn:4:223072:199525,CCCNS(=O)(=O)c1ccc(-c2cn(C(CC)C(=O)OC(C)(C)C)nc2C(F)(F)F)cc1,XSXWBRUYECVLDV-UHFFFAOYSA-N
-rxn:4:223080:185265,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)cc1,MEKHONIDGRHHHB-UHFFFAOYSA-N
-rxn:4:223080:187665,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,OYGJILKXCZRSHM-UHFFFAOYSA-N
-rxn:4:223082:214046,CNS(=O)(=O)c1c(C)cc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1C,KCXKAHOQQQWJOG-RBUKOAKNSA-N
-rxn:4:223093:187325,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1cncc(NS(=O)(=O)C(C)C)c1,YMHJORCDRFBRFQ-UHFFFAOYSA-N
-rxn:4:223279:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCCN2)nc1,DKFXBLRXUVYESB-UHFFFAOYSA-N
-rxn:4:223520:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,YYVWOWGDTMAPIK-UHFFFAOYSA-N
-rxn:4:223570:204895,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4[nH]c5c(c4c3)CCN(C(=O)OC(C)(C)C)C5)c(F)ncc21,MIRDXFCMONLKRZ-UHFFFAOYSA-N
-rxn:4:223580:184223,COC(=O)c1ccc2c(c1)cc(-c1ccc(-c3cc(C(=O)OC(C)C(=O)c4ccc(C)cc4)c4cc(C)ccc4n3)cc1)n2C(=O)OC(C)(C)C,SADKZOUSPALIPR-UHFFFAOYSA-N
-rxn:4:224160:201171,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,MSDOYFLNMVWBKC-UHFFFAOYSA-N
-rxn:5:177180:225636:223064,CCOC(=O)c1c(C)cc(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C2CCNCC2)nc1F,BGVVHVLZWWLKMK-UHFFFAOYSA-N
-rxn:5:177181:223061:222405,CC(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,YUJRNNRSCMXDBH-UHFFFAOYSA-N
-rxn:5:177181:223062:222980,CC(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCNCC3)cc2)c1,FRLRYXRPMIFAKO-UHFFFAOYSA-N
-rxn:5:177184:223065:226427,CCOC(=O)c1c(-c2cc(N3CCC(C)CC3)cs2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,YRXAQCMMJMAMDL-UHFFFAOYSA-N
-rxn:5:177185:223062:226583,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)s1,COJJCDPJWMTWTR-UHFFFAOYSA-N
-rxn:5:177185:225601:222405,CC(C)OC(=O)c1cc(-c2ccc(C3(C#N)CCC3)cc2F)ccc1-c1cccc(C2NC(=O)NC2=O)c1,YZZRVTMATIXOOR-UHFFFAOYSA-N
-rxn:5:177185:225982:225784,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)nc1,JJSDMYJJNIWNDQ-UHFFFAOYSA-N
-rxn:5:177186:223061:225454,CCOC(=O)c1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(-c2cc(C3CCNCC3)ncc2F)cc1C,LZSMDKOHACNQBW-UHFFFAOYSA-N
-rxn:5:177190:223054:226662,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,ZVVIIDWRFXVYCA-UHFFFAOYSA-N
-rxn:5:177190:223148:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccccc2C2CNCCO2)c1,WDUJGZSZBCJOEJ-UHFFFAOYSA-N
-rxn:5:177190:225407:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,LJDDBFDYUMYMFO-UHFFFAOYSA-N
-rxn:5:177190:225462:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,QBYVZWZUUBSESN-UHFFFAOYSA-N
-rxn:5:177190:225470:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(N3CCC(C)CC3)cc2)c1,QBZPTFLRLLZICK-UHFFFAOYSA-N
-rxn:5:177190:225576:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,KBIIEFFFTBFVPF-UHFFFAOYSA-N
-rxn:5:177190:225613:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(OC3CCCCC3)c2)c1,JGYRXUBXEPNOBP-UHFFFAOYSA-N
-rxn:5:177190:225639:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2cccnc2N2CCC(C)CC2)c1,UDGXOHUOODQSRN-UHFFFAOYSA-N
-rxn:5:177190:225655:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,ZCTTWMBJMOIXLA-UHFFFAOYSA-N
-rxn:5:177190:225655:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,MZXFIUFGWOFSAG-UHFFFAOYSA-N
-rxn:5:177190:225656:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cncc(N3CCCCC3C)c2)c1,NABUMZAHWYBQEK-UHFFFAOYSA-N
-rxn:5:177190:225656:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCCCC3C)c2)c1,URBOZGTVXHDATG-UHFFFAOYSA-N
-rxn:5:177190:225656:225470,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c1,ZHCIMEKSSXMLDS-UHFFFAOYSA-N
-rxn:5:177190:225805:223130,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CC(O)C3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,KKBBYTPMFCRHGC-UHFFFAOYSA-N
-rxn:5:177190:225805:226649,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,JBFRPFGFKGEMLX-UHFFFAOYSA-N
-rxn:5:177190:225833:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCCCC3)c2F)c1,YAUMJTVTGTXIHU-UHFFFAOYSA-N
-rxn:5:177190:226415:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2N2CCOCC2)c1,LZTRCCGVRHZPAK-UHFFFAOYSA-N
-rxn:5:177190:226424:222958,CCS(=O)(=O)Cc1ccc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2cc(N3CCCC(C)C3)cs2)c1,WNMWZWPICWBTTL-UHFFFAOYSA-N
-rxn:5:177190:226665:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(C3CCCOC3)nc2)c1,ZEGQQEPGXKIEQV-UHFFFAOYSA-N
-rxn:5:177191:223002:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)cc4F)c3)c2F)CCC1,MULDZIQACAYHAB-UHFFFAOYSA-N
-rxn:5:177193:222989:223062,CCOC(=O)c1cc(C)c(-c2ccc(N3CCNCC3)cc2C)cc1-c1cnc(C2CCNCC2)cc1F,JWLXUPMHUQWXKJ-UHFFFAOYSA-N
-rxn:5:177729:223294:225631,CN1CCN(c2ccc(-c3cc(-c4csc(N5CCNCC5)n4)ccc3C(=O)OC(C)(C)C)cc2)CC1,ZTNJDLULHNOKII-UHFFFAOYSA-N
-rxn:5:177730:225439:226645,CC(c1cccc(-c2ccc(-c3ccnc(N4CCOCC4)c3)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,FNENLKXAPJZNIX-UHFFFAOYSA-N
-rxn:5:177730:225607:223281,CC(c1ccc(-c2ccc(-c3ccc(C4(O)COC4)nc3)c(C(=O)OC(C)(C)C)c2)s1)N1CCCCC1,QGFSMPRUTJZSEK-UHFFFAOYSA-N
-rxn:5:177730:226059:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C(=O)OC(C)(C)C)cc1C,VQUYWDWXYKNRSI-UHFFFAOYSA-N
-rxn:5:177733:223281:225607,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4(O)COC4)nc3)c2)s1)N1CCCCC1,ZPJHEJBCJQYAOT-UHFFFAOYSA-N
-rxn:5:177733:225978:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2ccc(N3CCOCC3)nc2F)c1,MVZZACGJLKLZQK-UHFFFAOYSA-N
-rxn:5:177733:226794:223064,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(C3CCNCC3)nc2F)c1,XCEGWRUXXANSHA-UHFFFAOYSA-N
-rxn:5:177734:226649:226661,Cc1cc(-c2cccnc2N2CCOCC2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,AZBMCAGDXOGMBY-UHFFFAOYSA-N
-rxn:5:177734:226662:226414,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(C3=NCCCO3)cc2)cc1C(=O)OC(C)C,LBMCMBRPTHOLFB-UHFFFAOYSA-N
-rxn:5:177735:226598:225978,Cc1cc(C(=O)OC(C)C)cc(-c2cc(OC(C)C)c(F)cc2F)c1-c1ccc(N2CCOCC2)nc1F,GHDZFPUEOHLMPQ-UHFFFAOYSA-N
-rxn:5:177736:225982:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,VNTCESIYKMVAIK-UHFFFAOYSA-N
-rxn:5:177737:225805:223064,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C(=O)OC(C)(C)C)s1)N1CCOCC1,PWIAXMGSVMCDLE-UHFFFAOYSA-N
-rxn:5:177737:226794:225833,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1cnc(N2CCSCC2)nc1,JIGAAMURJVLFRM-UHFFFAOYSA-N
-rxn:5:177739:223294:225980,CC(C)(C)OC(=O)c1cccc(-c2csc(N3CCNCC3)n2)c1-c1cc(N2CCOCC2)ncc1F,IZBDWFLXDVCRLF-UHFFFAOYSA-N
-rxn:5:177739:225834:226794,CC(C)(C)OC(=O)c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cnc(N2CCSCC2)nc1,RVWHWFRDKXRXNZ-UHFFFAOYSA-N
-rxn:5:177739:226330:223065,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCC1,ZJBNOACVRKZLLW-UHFFFAOYSA-N
-rxn:5:177850:226734:223135,CCOc1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1-c1cccnc1C1CCCNC1,XIGYJAVNIONEOO-UHFFFAOYSA-N
-rxn:5:177850:226826:223082,CCOc1ccc(-c2cc(C)cc(C(F)(F)F)c2F)c(C2OCCO2)c1-c1cc(C)c(S(=O)(=O)NC)c(C)c1,PSHDKRHCCHTVPJ-UHFFFAOYSA-N
-rxn:5:177850:227710:225982,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1cnc(N2CCOCC2)cc1F,BJOJQELGBFNWGU-UHFFFAOYSA-N
-rxn:5:177851:223242:225926,CCOc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C2OCCO2)cc1-c1ccnc(C2CCNC2)c1,FXAUKHAFAZVQLP-UHFFFAOYSA-N
-rxn:5:177891:225514:228878,O=C(SC1CS(=O)(=O)CC1c1cnn(C2COC2)c1)c1ccccc1-c1cccc2c1OCC1(CC1)CO2,AZDJHJMRBMVBIF-UHFFFAOYSA-N
-rxn:5:177891:225798:229009,O=C(SC1CS(=O)(=O)CC1c1cc(C2CC2)cs1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,TVRCEQSWDPIKGE-UHFFFAOYSA-N
-rxn:5:177891:225803:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,PEGONXSBSRFROT-UHFFFAOYSA-N
-rxn:5:177891:226645:223189,CS(=O)(=O)Nc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCOCC3)c2)c(F)c1,SFPQICLGHCMHCQ-UHFFFAOYSA-N
-rxn:5:177891:226685:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1cnc(C2CCOCC2)nc1,WIOFTIGDZMFBNP-UHFFFAOYSA-N
-rxn:5:177891:227437:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1ccnc(C2CCCO2)c1,CBBKMNCVTBFOLS-UHFFFAOYSA-N
-rxn:5:177891:227437:225576,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)ccc1N1CCCC1,YGVNHTSDTPOQLG-UHFFFAOYSA-N
-rxn:5:177891:227438:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,IECMZMDKFFTVSL-UHFFFAOYSA-N
-rxn:5:177891:227449:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1ccc(C2CCOCC2)s1,JBCNAFFLQQJDKP-UHFFFAOYSA-N
-rxn:5:177891:227656:225799,O=C(SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,RDLAQCMNWBEDIM-UHFFFAOYSA-N
-rxn:5:177891:227657:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,UTSBQZPSIWTPEC-UHFFFAOYSA-N
-rxn:5:177891:227657:227444,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCCO2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,CBCRMPAQTYPIFM-UHFFFAOYSA-N
-rxn:5:177891:227684:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cnn(CC2OCCO2)c1,PWCLXGBKSACURH-UHFFFAOYSA-N
-rxn:5:177891:228210:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1ccc(N2CCCC2)s1,PNWZCNJMCWZJHZ-UHFFFAOYSA-N
-rxn:5:177891:228688:225799,CCOc1cnccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1,UIFSYKCULUVYCD-UHFFFAOYSA-N
-rxn:5:177891:228705:225514,CN(C)c1ncccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cccc2c1OCC1(CC1)CO2,AJRXDOYMFMWLOB-UHFFFAOYSA-N
-rxn:5:177891:229016:225799,O=C(SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1)c1ccccc1-c1ccsc1C1CC1,SAGIINWAFCSUGU-UHFFFAOYSA-N
-rxn:5:177970:223000:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2)c([N+](=O)[O-])s1,KVEMCWARGRJKFL-UHFFFAOYSA-N
-rxn:5:177971:223192:225684,CNS(=O)(=O)c1cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)c(OCC3CCCC3)c2)ccc1F,USYNRCAMVJLRFH-UHFFFAOYSA-N
-rxn:5:178118:222958:227710,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc1C1CCNCC1,LULVEAFRYOHCMB-UHFFFAOYSA-N
-rxn:5:178118:223062:226329,N#CC1(c2ccc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(OCC4CCCCO4)c3)cc2F)CC1,RENKTDQIFATDQN-UHFFFAOYSA-N
-rxn:5:178118:225803:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)c(OCC2CCCCO2)c1,IASUFIXXESXJCH-UHFFFAOYSA-N
-rxn:5:178118:226586:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccnc(OC3CCOC3)c2)c(OCC2CCCCO2)c1,CZQBZGREVXMFTN-UHFFFAOYSA-N
-rxn:5:178118:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCCCO2)c1,CFIGRXLJKMFJRP-UHFFFAOYSA-N
-rxn:5:178119:226917:225871,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)(C)C)c1,UFHYLFHJRYULHQ-UHFFFAOYSA-N
-rxn:5:178121:226662:227710,CN1CCN(c2ccc(-c3c(OCC4CCOCC4)cccc3-c3ccc(OS(C)(=O)=O)cc3)s2)CC1,IXRCCECOSQUCTR-UHFFFAOYSA-N
-rxn:5:178225:226898:227769,COc1ncc([N+](=O)[O-])cc1-c1c(OCC2CCCCC2)cccc1-c1cn(S(=O)(=O)N(C)C)nc1C,ITWRYBJGFUAGLT-UHFFFAOYSA-N
-rxn:5:178226:226778:227449,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCOCC3)s2)c(F)c(F)c1OC,SVPVLMMHANYNFU-UHFFFAOYSA-N
-rxn:5:178278:225633:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,YTOUTCGKMRKNEB-UHFFFAOYSA-N
-rxn:5:178278:225833:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1ccnc(N2CCCCC2)c1F,AXQVAXGRXRSLLT-UHFFFAOYSA-N
-rxn:5:178295:223202:228257,COC(=O)C1(c2cc(-c3c(F)cc(C)cc3OC)ccc2-c2ccc(C3(O)CCC3)cc2)CCC(=O)CC1,GNCNCXWKQIKXQI-UHFFFAOYSA-N
-rxn:5:178295:223281:222417,COC(=O)C1(c2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(C3(O)COC3)nc2)CCC(=O)CC1,OLPDFXNQMNIJEB-UHFFFAOYSA-N
-rxn:5:178295:223286:227077,CCC(C)c1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VOTYTRPWXJGEIF-UHFFFAOYSA-N
-rxn:5:178295:223287:227068,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,MRGVMEGHLHUMLH-UHFFFAOYSA-N
-rxn:5:178295:223295:227077,CCC(C)c1ccc(-c2ccc(-c3cncc(NS(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,GMDLNMAJHRPMEU-UHFFFAOYSA-N
-rxn:5:178295:223378:223260,CNC(=O)c1cc(F)cc(-c2ccc(-c3cnc4c(c3)NCCO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HIZFHOLZDUVZCV-UHFFFAOYSA-N
-rxn:5:178295:223421:223269,CNC(C)c1ccc(-c2ccc(-c3ccc(NC(C)=O)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,NIWYTHOEIMOXKJ-UHFFFAOYSA-N
-rxn:5:178295:225451:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GYTUVTVIXDIINQ-UHFFFAOYSA-N
-rxn:5:178295:225515:226082,COC(=O)C1(c2cc(-c3ccc4ccc(OC)cc4c3)ccc2-c2cccc3c2OCC(C)(C)CO3)CCC(=O)CC1,FWHHKBJHAXGRES-UHFFFAOYSA-N
-rxn:5:178295:225592:228696,COCc1ccc(-c2ccc(-c3cc(F)ccc3CN3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,KHXSHLJCDXYIBQ-UHFFFAOYSA-N
-rxn:5:178295:225886:227028,COC(=O)C1(c2cc(-c3cccc(C4(C#N)CC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,NFJZDZYXXLWZHB-UHFFFAOYSA-N
-rxn:5:178295:226058:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ZKWWDNYOIFEMHU-UHFFFAOYSA-N
-rxn:5:178295:226058:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,AVDJKKDCUUVPBK-UHFFFAOYSA-N
-rxn:5:178295:226058:228628,COC(=O)C1(c2cc(-c3cc(C4CCC4)cs3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,HQGMIHSTXQPKKV-UHFFFAOYSA-N
-rxn:5:178295:226059:228556,COCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,VZSGUUOVLCDYQY-UHFFFAOYSA-N
-rxn:5:178295:226067:228598,COC(=O)C1(c2cc(-c3cc(C)ccc3OC)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,FGBCDYOGTRJAQR-UHFFFAOYSA-N
-rxn:5:178295:226070:226579,COC(=O)C1(c2cc(-c3cc(F)cc(C(=O)N(C)C)c3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,FGFINHLDUJBLEY-UHFFFAOYSA-N
-rxn:5:178295:226085:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,GFMKVTNHGQSQDU-UHFFFAOYSA-N
-rxn:5:178295:226140:227867,COC(=O)C1(c2cc(-c3cccc4c3OCCC4)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,QZJNFZWIAXVTBW-UHFFFAOYSA-N
-rxn:5:178295:226140:228583,COC(=O)C1(c2cc(-c3ccnc(C(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,VTDHREWARXKKFY-UHFFFAOYSA-N
-rxn:5:178295:226140:228840,COC(=O)C1(c2cc(-c3c(F)ccc(F)c3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,ZGXYJMKWBKQBKU-UHFFFAOYSA-N
-rxn:5:178295:226153:227935,CCc1cc(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,LEILDUWPDZCDPH-UHFFFAOYSA-N
-rxn:5:178295:226154:225418,CCOc1ccc2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4OC)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2c1,MSNZQHRMQAOJSK-UHFFFAOYSA-N
-rxn:5:178295:226437:227935,CCc1cc(-c2ccc(-c3cc(C4CCCC4)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,YESGJMPZNPNKNR-UHFFFAOYSA-N
-rxn:5:178295:226576:228550,CCCc1cc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,CRLOJSFNSGFRSJ-UHFFFAOYSA-N
-rxn:5:178295:226582:228505,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,ARUMXSGAQNLGPN-UHFFFAOYSA-N
-rxn:5:178295:226589:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(C(F)F)ncc2C(C)C)CCC(=O)CC1,RLYGBJBIPCJHFX-UHFFFAOYSA-N
-rxn:5:178295:226603:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HZPRJUPPNWVFIH-UHFFFAOYSA-N
-rxn:5:178295:226603:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DEUPVOMKOLVHLO-UHFFFAOYSA-N
-rxn:5:178295:226769:228144,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,WIFKAAVBOLCJQC-UHFFFAOYSA-N
-rxn:5:178295:226783:228530,COC(=O)C1(c2cc(-c3ccc4c(c3)OCC4)ccc2-c2c(OC)cc(F)c(F)c2OC)CCC(=O)CC1,IBCZAJBGACWXER-UHFFFAOYSA-N
-rxn:5:178295:226907:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,LBSBYTOKCBGPBT-UHFFFAOYSA-N
-rxn:5:178295:226910:227544,CCC(C)(C)c1ccc(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DNNNWDPCLFSJDW-UHFFFAOYSA-N
-rxn:5:178295:226910:227891,CCC(C)(C)c1ccc(-c2ccc(-c3ccccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SIJZHHNCJCUTER-UHFFFAOYSA-N
-rxn:5:178295:226910:228275,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,NIHYKIPDGGONDC-UHFFFAOYSA-N
-rxn:5:178295:226911:228150,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)OC)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,LKUXPOTZLZXTDR-UHFFFAOYSA-N
-rxn:5:178295:226913:226910,CCc1cc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,DDMSRIIOTPEKIR-UHFFFAOYSA-N
-rxn:5:178295:226914:228242,COC(=O)C1(c2cc(-c3cc(C)c(F)cc3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,MWUGSPRSGUVJBX-UHFFFAOYSA-N
-rxn:5:178295:226917:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(C)cc(C(C)(C)C)c2)CCC(=O)CC1,CTIXMTVMEKMDOT-UHFFFAOYSA-N
-rxn:5:178295:226918:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,VDQZPFGIRCQFFG-UHFFFAOYSA-N
-rxn:5:178295:226919:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cccc(C3CCCC3)c2)CCC(=O)CC1,FEIIWESCRXTKJK-UHFFFAOYSA-N
-rxn:5:178295:226920:227946,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,SNWRTRQWVCIGBS-UHFFFAOYSA-N
-rxn:5:178295:226926:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZAVMNAPTBNVSBG-UHFFFAOYSA-N
-rxn:5:178295:226926:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,WPCAMSJAIFOIHK-UHFFFAOYSA-N
-rxn:5:178295:226969:228400,COC(=O)C1(c2cc(-c3ccc(F)c(F)c3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,NNLAVPVMGKNFOJ-UHFFFAOYSA-N
-rxn:5:178295:226974:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,CFNCTDWNVHOPHY-UHFFFAOYSA-N
-rxn:5:178295:226974:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,JOLRMBCKLCLKSJ-UHFFFAOYSA-N
-rxn:5:178295:227038:228247,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,WVRMEWXWYSEZEH-UHFFFAOYSA-N
-rxn:5:178295:227039:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(OC(C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,XGGHAXMHFLXFQS-UHFFFAOYSA-N
-rxn:5:178295:227042:227989,CC#Cc1ccc(F)c(-c2ccc(-c3c(C)cc(OCC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KMYTWCIJYIRTRA-UHFFFAOYSA-N
-rxn:5:178295:227052:223229,COC(=O)C1(c2cc(-c3cc(NC(C)=O)ccc3C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,BVOULHMKSVNHLM-UHFFFAOYSA-N
-rxn:5:178295:227064:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,FVVCGKAIDNTFLY-UHFFFAOYSA-N
-rxn:5:178295:227070:228275,CCOc1cc(C)c(C)cc1-c1ccc(-c2cc(C)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,KWJDEVWDOUUPMH-UHFFFAOYSA-N
-rxn:5:178295:227075:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,JFDGTDPTMIBTKK-UHFFFAOYSA-N
-rxn:5:178295:227076:228564,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)CC)s3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UFXRCHUDBDVBJU-UHFFFAOYSA-N
-rxn:5:178295:227077:225702,CCC(C)c1ccc(-c2ccc(-c3cc4ccccc4n3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,ZJRBVVDYNJUYOC-UHFFFAOYSA-N
-rxn:5:178295:227077:227326,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,XFJVZAAMPSLWDC-UHFFFAOYSA-N
-rxn:5:178295:227084:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XIFMXJQRSPKVDH-UHFFFAOYSA-N
-rxn:5:178295:227102:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,BUKFKQJZWOJAJV-UHFFFAOYSA-N
-rxn:5:178295:227290:227346,CCCc1cc(F)c(-c2ccc(-c3cccc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MJHDWTBSVCIWDZ-UHFFFAOYSA-N
-rxn:5:178295:227291:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(CN(C)C)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,XWDHSGRFIZYEBX-UHFFFAOYSA-N
-rxn:5:178295:227312:228339,CCC(C)c1ccc(-c2ccc(-c3ccncc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,FZVSPOORHNPVRX-UHFFFAOYSA-N
-rxn:5:178295:227313:228177,CCC(C)c1cc(-c2ccc(-c3cc(F)ccc3COC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,WPRNJSCBQLNXNV-UHFFFAOYSA-N
-rxn:5:178295:227319:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(CC(C)C)ncc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,BCYLMYSTUXKRTF-UHFFFAOYSA-N
-rxn:5:178295:227319:228142,CCCc1cc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,KWVMZSAKDCDVJP-UHFFFAOYSA-N
-rxn:5:178295:227326:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)OC)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,POQSOXOOSMPBLH-UHFFFAOYSA-N
-rxn:5:178295:227342:228142,CCCc1cc(-c2ccc(-c3ccc(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,UKMTXPPGUDMFGX-UHFFFAOYSA-N
-rxn:5:178295:227352:227941,COCc1cc(C)cc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KQUITTCNAUBNCV-UHFFFAOYSA-N
-rxn:5:178295:227353:228241,COC(=O)C1(c2cc(-c3ccc(F)c(C(C)=O)c3)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,CUMCZCLXBDZKDV-UHFFFAOYSA-N
-rxn:5:178295:227409:227996,COC(=O)C1(c2cc(-c3ccc(C(C)=O)cc3C)ccc2-c2cc(C(C)(C)C)ncc2F)CCC(=O)CC1,DFNHMWOPGYRTJD-UHFFFAOYSA-N
-rxn:5:178295:227508:228566,COC(=O)c1cc(-c2ccc(-c3ccsc3CC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C)n1,OPYJPLNHEJVSIY-UHFFFAOYSA-N
-rxn:5:178295:227529:228176,COCc1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,YMYKJZXZASPTJG-UHFFFAOYSA-N
-rxn:5:178295:227540:228153,COC(=O)C1(c2cc(-c3cc(OC)cc(OC)c3)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,KTBHLTBOCYAUQC-UHFFFAOYSA-N
-rxn:5:178295:227543:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(F)c(C(=O)OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KVAMKGCDVQTLDC-UHFFFAOYSA-N
-rxn:5:178295:227568:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,DXRZFEDXUHBUQV-UHFFFAOYSA-N
-rxn:5:178295:227568:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,LCQOGUQQBPKSOD-UHFFFAOYSA-N
-rxn:5:178295:227701:228158,CCOc1cc(F)cc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NNIGIVIJDHDHOE-UHFFFAOYSA-N
-rxn:5:178295:227704:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,BDIIYFULMOKYOE-UHFFFAOYSA-N
-rxn:5:178295:227705:228179,COCc1cc(F)cc(-c2ccc(-c3cnc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BDJPPAWNOGUZEK-UHFFFAOYSA-N
-rxn:5:178295:227807:227309,CCC(C)c1cc(-c2ccc(-c3cccc4c3CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,QOAHXNSBZXAERB-UHFFFAOYSA-N
-rxn:5:178295:227810:227019,CCC(C)c1ccc(-c2ccc(-c3cccc(C(C)(C)C#N)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,OAQHQPKQPSLKOP-UHFFFAOYSA-N
-rxn:5:178295:227812:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc(CC(C)C)c2)CCC(=O)CC1,RGBTUBBPNLEALL-UHFFFAOYSA-N
-rxn:5:178295:227812:227496,CCN(C)c1cc(F)c(-c2ccc(-c3cccc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CWZNTEIGNNXEON-UHFFFAOYSA-N
-rxn:5:178295:227812:227521,COC(=O)c1cnc(C)c(-c2ccc(-c3cccc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YRVSTVJNKCKTLU-UHFFFAOYSA-N
-rxn:5:178295:227814:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(CC3CC3)cc2)CCC(=O)CC1,CWWZESJPMMRHOY-UHFFFAOYSA-N
-rxn:5:178295:227815:226919,CCC(C)c1ccccc1-c1ccc(-c2cccc(C3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,BJUKBWCGPXWXDJ-UHFFFAOYSA-N
-rxn:5:178295:227815:227307,CCC(C)c1ccccc1-c1ccc(-c2ccc(C)nc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,LBFVDKBSODLLNE-UHFFFAOYSA-N
-rxn:5:178295:227816:226581,CCCc1ccc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,KJXLXCHEUFIOCW-UHFFFAOYSA-N
-rxn:5:178295:227817:226334,COC(=O)C1(c2cc(-c3cc(C)cc(C(=O)N(C)C)c3)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,SHPVWYKTSURLIF-UHFFFAOYSA-N
-rxn:5:178295:227818:225499,CCC(C)c1cccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FDQSXDWKUBNJGB-UHFFFAOYSA-N
-rxn:5:178295:227819:226921,CCc1cc(CC)cc(-c2ccc(-c3cc(C4CC4)c(C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UXZYCMOCZDERIL-UHFFFAOYSA-N
-rxn:5:178295:227821:227054,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C3CC3)c(OC)c2)cc1C1(C(=O)OC)CCC(=O)CC1,RLTYPPQSQQXMTE-UHFFFAOYSA-N
-rxn:5:178295:227830:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc(C3(C)CC3)cc2)CCC(=O)CC1,MXUBVRACQPGWHV-UHFFFAOYSA-N
-rxn:5:178295:227830:227305,COC(=O)C1(c2cc(-c3cc(C)nc(OC(C)C)c3)ccc2-c2ccc(C3(C)CC3)cc2)CCC(=O)CC1,BTXKLTYONDXVKD-UHFFFAOYSA-N
-rxn:5:178295:227833:223270,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(F)cc2NC(C)=O)cc1C1(C(=O)OC)CCC(=O)CC1,MKALGOAUSUZJLZ-UHFFFAOYSA-N
-rxn:5:178295:228002:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2sccc2C2CCCC2)CCC(=O)CC1,ZUAYAHSQLBLXJB-UHFFFAOYSA-N
-rxn:5:178295:228002:228179,COCc1cc(F)cc(-c2ccc(-c3sccc3C3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PNQNQTSMDXITMN-UHFFFAOYSA-N
-rxn:5:178295:228005:226907,COC(=O)C1(c2cc(-c3cccc4c3CCC43CC3)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,VVTJMOZQZUAWDJ-UHFFFAOYSA-N
-rxn:5:178295:228005:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,KRDSDNHKPVVBHC-UHFFFAOYSA-N
-rxn:5:178295:228020:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2c(F)cccc2C2CC2)CCC(=O)CC1,OZIRZOLFCAQVBQ-UHFFFAOYSA-N
-rxn:5:178295:228066:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc3c(c2)OCCO3)CCC(=O)CC1,RESJSLDDFXWPLS-UHFFFAOYSA-N
-rxn:5:178295:228107:226777,CCC(C)c1ncncc1-c1ccc(-c2cc(C)c(F)c(OC(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JBPQPDZKPIJARD-UHFFFAOYSA-N
-rxn:5:178295:228156:226601,COC(=O)C1(c2cc(-c3c(OC(C)C)ccc(F)c3F)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,KMYBRXLYDSKYDZ-UHFFFAOYSA-N
-rxn:5:178295:228157:227356,CCOc1cc(F)c(C)cc1-c1ccc(-c2ccc(OC)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,NGZCZDYSQLHPRH-UHFFFAOYSA-N
-rxn:5:178295:228176:227696,COCc1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,CLJYHFSGSAAWBC-UHFFFAOYSA-N
-rxn:5:178295:228177:226582,COCc1ccc(F)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HLFKYVDDOHBJPG-UHFFFAOYSA-N
-rxn:5:178295:228177:226603,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,MYLPZIPGELLXQM-UHFFFAOYSA-N
-rxn:5:178295:228178:227049,CCOc1c(C)cc(-c2ccc(-c3cc(COC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,MOZPQCHVANSCJB-UHFFFAOYSA-N
-rxn:5:178295:228178:227312,CCC(C)c1ccc(-c2ccc(-c3cc(COC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,IBGGSTPOWPGFPS-UHFFFAOYSA-N
-rxn:5:178295:228184:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc(OC)c(SC)c2)CCC(=O)CC1,HCEFAGSKNCQSHA-UHFFFAOYSA-N
-rxn:5:178295:228258:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,FNBMRCZBCWANDU-UHFFFAOYSA-N
-rxn:5:178295:228258:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,KXLFPEVJRVSHKL-UHFFFAOYSA-N
-rxn:5:178295:228332:227077,CCC(C)c1ccc(-c2ccc(-c3cnc(OC)cc3SC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,HLIGGURNAFEWLP-UHFFFAOYSA-N
-rxn:5:178295:228419:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)c(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZTTJRWAISUJZPN-UHFFFAOYSA-N
-rxn:5:178295:228428:223272,CNC(=O)c1ccc(-c2ccc(-c3cc(OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ITRRWFOIYRSXFI-UHFFFAOYSA-N
-rxn:5:178295:228508:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cccc(C(C)C)c2)CCC(=O)CC1,VIELMOGQWITMQP-UHFFFAOYSA-N
-rxn:5:178295:228516:226140,CCc1cc(C)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QTJNKHWBCVDSPS-UHFFFAOYSA-N
-rxn:5:178295:228549:226769,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,MQXQIZMAKVNSBN-UHFFFAOYSA-N
-rxn:5:178295:228551:226580,CCCc1ncccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,FBCMQGRFRAKSGV-UHFFFAOYSA-N
-rxn:5:178295:228631:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2ccsc2C2CCC2)CCC(=O)CC1,OGXQRBAKIGBBDA-UHFFFAOYSA-N
-rxn:5:178295:228697:225499,COCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,GTZXYMQKLRKCHZ-UHFFFAOYSA-N
-rxn:5:178295:228991:226154,CCCc1sccc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,SOMVTGQMVFDNNZ-UHFFFAOYSA-N
-rxn:5:178295:229084:226589,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2scnc2C(C)C)CCC(=O)CC1,FPOCGNZNULZWEY-UHFFFAOYSA-N
-rxn:5:178353:225849:226366,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1ccnc(N2CCCCC2)c1,XQXLTUSUCZOFEL-UHFFFAOYSA-N
-rxn:5:178353:226366:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,CNRMNNGDRMWWSM-UHFFFAOYSA-N
-rxn:5:178353:226366:225849,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,SFDOYCOWEXUESG-UHFFFAOYSA-N
-rxn:5:178368:226366:226420,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(F)c(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,QIOZPHFVUQBXRU-UHFFFAOYSA-N
-rxn:5:178368:226395:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1cncc(N2CCCCC2)c1,CVLZHAAGMLCRPB-UHFFFAOYSA-N
-rxn:5:178466:223063:225980,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IOGGDFVUSGQXHS-UHFFFAOYSA-N
-rxn:5:178466:225583:223062,CC(C)OC(=O)c1sc2cc(-c3cccc(C(=O)N4CCCC4)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,HVGSMTQHUXXSID-UHFFFAOYSA-N
-rxn:5:178466:225976:223056,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,LMXWZWYUSXYUGL-UHFFFAOYSA-N
-rxn:5:178466:225976:225639,CC1CCN(c2ncccc2-c2c(C(=O)OC(C)C)sc3cc(-c4ccnc(N5CCOCC5)c4F)ccc23)CC1,ZBEJRUFPTTUXCH-UHFFFAOYSA-N
-rxn:5:178466:225976:225976,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,POHVGHFNIWWUBV-UHFFFAOYSA-N
-rxn:5:178466:225980:225980,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,UAPSECUJCAVNQT-UHFFFAOYSA-N
-rxn:5:178466:226661:223065,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1ccc(N2CCNCC2)cc1F,JUGGLKSAVJPBKR-UHFFFAOYSA-N
-rxn:5:178467:223002:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(C4CCNCC4)cc3F)c2OC1,HRVLESOAQIQFAK-UHFFFAOYSA-N
-rxn:5:178467:223061:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,IKCFUGSGPGTIFH-UHFFFAOYSA-N
-rxn:5:178467:223061:227975,CCOC(=O)C1=Cc2cc(-c3cccc([Si](C)(C)C)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ZAUCNUXTMYXYFP-UHFFFAOYSA-N
-rxn:5:178467:223137:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cncc(C4CCCNC4)c3)c2OC1,BFIQUBRLHZANLA-UHFFFAOYSA-N
-rxn:5:178467:223142:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(C4CCCNC4)nc3)c2OC1,RHEPPUCFXOEJPU-UHFFFAOYSA-N
-rxn:5:178467:223294:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,NETKFCPVNZUGIC-UHFFFAOYSA-N
-rxn:5:178467:225603:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,FICCWSFRWLDWLC-UHFFFAOYSA-N
-rxn:5:178467:225638:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(N4CCC(C)CC4)nc3)c2OC1,LQLAXKOHUGWYGN-UHFFFAOYSA-N
-rxn:5:178467:225980:226959,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(C)(C)O4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,VDKLCHXFXPIJLA-UHFFFAOYSA-N
-rxn:5:178467:226426:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(N4CCC(C)CC4)s3)c2OC1,RZEOSLJKKMLYGX-UHFFFAOYSA-N
-rxn:5:178467:226644:227702,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cnc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,ZLPDGAWSLFTEQG-UHFFFAOYSA-N
-rxn:5:178467:226645:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,BJIUDQUONDFUOP-UHFFFAOYSA-N
-rxn:5:178467:226665:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,KWEKKQMOGCSUSP-UHFFFAOYSA-N
-rxn:5:178467:226794:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,KEIMNILFIZCCPY-UHFFFAOYSA-N
-rxn:5:178467:227278:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,GJGXFDPTKUKTNU-UHFFFAOYSA-N
-rxn:5:178467:227299:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cc(F)cc(CN(C)C)c3)c2OC1,OGUIIRSFXNOKFQ-UHFFFAOYSA-N
-rxn:5:178467:227303:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,IIVGQHVWCJKDKC-UHFFFAOYSA-N
-rxn:5:178467:227409:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(C(C)(C)C)ncc3F)c2OC1,YGXKUONMHZJOBE-UHFFFAOYSA-N
-rxn:5:178467:227458:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc4c(c3)OCCN4C)c2OC1,NJGDFQCIMYKLJI-UHFFFAOYSA-N
-rxn:5:178467:227507:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,QAGRTRVRPQNCSP-UHFFFAOYSA-N
-rxn:5:178467:227507:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,RRGDSJHKZOANCS-UHFFFAOYSA-N
-rxn:5:178467:227524:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(OC)c(C#N)cc3F)c2OC1,PNMAQVIVFYCRIQ-UHFFFAOYSA-N
-rxn:5:178467:227574:226732,CCOC(=O)C1=Cc2cc(-c3ccc(C#N)c(C(F)(F)F)c3)cc(-c3ccc(F)c(OC)c3OC)c2OC1,XEEAMHLIWJTBCE-UHFFFAOYSA-N
-rxn:5:178467:227803:228338,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCC4)s3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,USPPVMFPLDNMRZ-UHFFFAOYSA-N
-rxn:5:178467:228321:222998,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,PDZNHFCVRNLBTM-UHFFFAOYSA-N
-rxn:5:178467:228692:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3ccc(CN(C)C)s3)c2OC1,HGVKSMOQEWJXJY-UHFFFAOYSA-N
-rxn:5:178467:228964:223008,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3cnc(C(=O)OC)s3)c2OC1,UYJONMYKWFRSQP-UHFFFAOYSA-N
-rxn:5:178556:223007:226320,N#CC1(c2ccc(F)c(-c3ccc(-c4cc(F)cc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CC1,VXTLXKRKSKTARN-UHFFFAOYSA-N
-rxn:5:179418:225798:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCOCC1,KYLIVXPBAXOXTK-UHFFFAOYSA-N
-rxn:5:179629:223065:225613,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(OC2CCCCC2)c1,XBKIPVARVFEOSL-UHFFFAOYSA-N
-rxn:5:179629:225833:225849,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,NXSDWLVZQGFXMO-UHFFFAOYSA-N
-rxn:5:179629:225849:225849,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,PDQQCUYZIZCGGA-UHFFFAOYSA-N
-rxn:5:180021:223054:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(C(C)N2CCC(O)C2)s1,LCDBPAKHXNSSPE-UHFFFAOYSA-N
-rxn:5:180021:226130:225834,COc1c(-c2ccc(CN3CCCC3)cc2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2)ncc1F,CUVXKGSSEXCJND-UHFFFAOYSA-N
-rxn:5:180022:223148:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)ccc(-c2ccccc2C2CNCCO2)c1C1OCCO1,HXTGHEDSDUIRGZ-UHFFFAOYSA-N
-rxn:5:180022:223173:226662,COc1c(-c2ccc(N3CCN(C)CC3)s2)ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1C1OCCO1,NEBSBPJPOOPNDN-UHFFFAOYSA-N
-rxn:5:180202:223134:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(-c2cnccc2C2CCCNC2)ccc1OC1CCOCC1,LBKMCDRRJRPCAP-UHFFFAOYSA-N
-rxn:5:180203:227710:225607,CC(c1ccc(-c2cc(OC3CCOCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCCCC1,FIYJBEZLSJQYGZ-UHFFFAOYSA-N
-rxn:5:180377:223062:225800,CC(C)c1cc(-c2ccc(C(=O)N3CCSC3)cc2)cc(C(C)C)c1-c1cnc(C2CCNCC2)cc1F,JFFRVEPOEWQVPD-UHFFFAOYSA-N
-rxn:5:180602:226794:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,CPNXKZKYSRJEDO-UHFFFAOYSA-N
-rxn:5:180662:223062:223018,COC(=O)C1=Cc2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,JRPNFZOIIYRIDF-UHFFFAOYSA-N
-rxn:5:180662:223064:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,CZDBKBCYGUDDMC-JLHYYAGUSA-N
-rxn:5:180662:223139:226733,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,DETVDYGHRLBFEQ-UHFFFAOYSA-N
-rxn:5:180662:223141:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,MTAWAYVEDAIUBA-UHFFFAOYSA-N
-rxn:5:180662:225926:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,RAKLOYKRCHDANB-UHFFFAOYSA-N
-rxn:5:180662:225926:223201,COC(=O)C1=Cc2cc(-c3ccccc3C3CCNC3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,DPPQUOYGSMJLBT-UHFFFAOYSA-N
-rxn:5:180662:226428:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(N4CCCCC4C)cs3)c2OC1,BGZQSNKITJJDST-UHFFFAOYSA-N
-rxn:5:180662:227710:222986,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,MJSMXVUQAGUNGZ-UHFFFAOYSA-N
-rxn:5:181907:226686:226428,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1,RTCCAEBIMCXGIG-UHFFFAOYSA-N
-rxn:5:182010:226686:222998,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ccc1C1CCOCC1,IEEAXGYGMVKPGO-UHFFFAOYSA-N
-rxn:5:183189:222957:225407,Cc1cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,BFJLSPWZNWSDED-UHFFFAOYSA-N
-rxn:5:183189:222960:225881,Cc1cc(-c2cc(-c3ccc(C4CCOCC4)nc3F)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)c1,INQDLPCPHAYYOG-UHFFFAOYSA-N
-rxn:5:188254:225941:225638,COC(=O)c1cc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(C#N)cc1-c1ccc(N2CCC(C)CC2)nc1,LZWRLDIWCQUWKU-UHFFFAOYSA-N
-rxn:5:188445:226424:226349,COC(=O)c1cc(-c2cc(N3CCCC(C)C3)cs2)cc([N+](=O)[O-])c1-c1cc(F)cc(OC(C)(C)C)c1,BAOLIHXEUSTKOM-UHFFFAOYSA-N
-rxn:5:188446:223191:225834,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2-c2cc(N3CCCCC3)ncc2F)cc1F,XCOYIHXDDGLIJI-UHFFFAOYSA-N
-rxn:5:188448:225598:227768,COC(=O)c1cc(-c2cccn2S(=O)(=O)N(C)C)c([N+](=O)[O-])cc1-c1cccc(CN2CCSCC2)c1,MQQUIWACBNOSMD-UHFFFAOYSA-N
-rxn:5:188867:222996:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1ccc(F)cc1C1CCCNC1,MOYVTAHXBRMQJW-UHFFFAOYSA-N
-rxn:5:188868:225976:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCOCC2)c1F,LBSJZFSNOITEGC-UHFFFAOYSA-N
-rxn:5:188868:226662:222996,CC(C)OC(=O)c1ccnc(-c2ccc(F)cc2C2CCCNC2)c1-c1ccc(N2CCN(C)CC2)s1,BZJQPPIQDOMVOL-UHFFFAOYSA-N
-rxn:5:188930:225639:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccc(C2CCNCC2)nc1,NEHKXPCXLCVZPW-UHFFFAOYSA-N
-rxn:5:188930:227295:225600,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(OC3CCC3)c2)cc1-c1cccnc1OC1CCCCC1,WRLAZCOPZNLUFK-UHFFFAOYSA-N
-rxn:5:188932:225452:226382,COC(=O)c1cc(-c2ccc(OC3C=CCCC3)cc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,OLFWYZIKZKURFX-UHFFFAOYSA-N
-rxn:5:188932:225452:227381,COC(=O)c1cc(-c2ccc(OC3C=CCCC3)cc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,KAVZZGBOEAUYSN-UHFFFAOYSA-N
-rxn:5:188932:225600:227295,COC(=O)c1cc(-c2ccnc(OC3CCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)c1,RKSFQUKITCPRDH-UHFFFAOYSA-N
-rxn:5:188932:225613:227296,COC(=O)c1cc(-c2ccc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)c1,WFNLAIOGHHBYFS-UHFFFAOYSA-N
-rxn:5:188932:225794:227085,COC(=O)c1cc(-c2ccc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)c1,FXDYSIOKOOYYCV-UHFFFAOYSA-N
-rxn:5:188932:225794:227381,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,QBMBMBMDJBCSJL-UHFFFAOYSA-N
-rxn:5:188932:226180:226338,COC(=O)c1cc(-c2ccnc(OC3CCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)c1,PJNOVYUOKDEBEF-UHFFFAOYSA-N
-rxn:5:188932:226181:223138,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,RNHGVMKKHYCOKO-UHFFFAOYSA-N
-rxn:5:188932:226338:226586,COC(=O)c1cc(-c2ccnc(OC3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCOC3)c2)c1,PSJJKGRTWYGIGS-UHFFFAOYSA-N
-rxn:5:188932:226572:226174,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCC3)nc2)c1,SDOYGVYCQDWACM-UHFFFAOYSA-N
-rxn:5:188932:227086:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCC3)c2)c1,WFORIPPYVXWUKQ-UHFFFAOYSA-N
-rxn:5:188932:227517:225613,COC(=O)c1cc(-c2ccc(OC3COC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)c1,KVJVOVQQMRHOOD-UHFFFAOYSA-N
-rxn:5:189001:225810:226589,COC(=O)C1(c2nc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2ccc(OC)cc2C2OCCO2)CC1,VXOBCOLVVJMJAG-UHFFFAOYSA-N
-rxn:5:189079:225784:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1,CZZFEYUGNNSHSZ-UHFFFAOYSA-N
-rxn:5:189079:226654:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2csc(N3CCC(C)CC3)n2)c1,AQDKHOYUGTYLMZ-UHFFFAOYSA-N
-rxn:5:189079:226661:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,QMVYIEXDNBBRMF-UHFFFAOYSA-N
-rxn:5:189079:226662:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,WNHDIJNNLLXSOP-UHFFFAOYSA-N
-rxn:5:189207:226582:228388,Cc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C(=O)ON1C(=O)CCC1=O,YBPWYTUZNTZICA-UHFFFAOYSA-N
-rxn:5:189207:226926:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,HXWOSWCGMRSUPO-UHFFFAOYSA-N
-rxn:5:189207:228713:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(-c2ccn(C(C)(C)C)n2)cc1C(=O)ON1C(=O)CCC1=O,PTZXSWGFCJLDRE-UHFFFAOYSA-N
-rxn:5:189208:225849:228304,CC(C)Oc1ncc(-c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)cn1,ATRMRSASKZNFRO-UHFFFAOYSA-N
-rxn:5:189209:223294:227951,C[N+](C)(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3csc(N4CCNCC4)n3)c2)cc1,GFOXTYRRLMLDMP-UHFFFAOYSA-N
-rxn:5:189209:226320:227413,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CCC5)cc4F)c3)c2)CC1,KZGUBCNJAKAVSL-UHFFFAOYSA-N
-rxn:5:189209:228201:225602,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CCC5)nc4)c3)c2)CCC1,FVFBCZZMIOOMGV-UHFFFAOYSA-N
-rxn:5:189209:228210:226320,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(N5CCCC5)s4)c3)c2)CC1,PTVJRMBCPYSBKK-UHFFFAOYSA-N
-rxn:5:189209:228681:226320,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnn4CC4CC4)c3)c2)CC1,AYLXSMHNQJBCHF-UHFFFAOYSA-N
-rxn:5:189211:226840:223388,N#Cc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(S(=O)(=O)O)cc2)cc(C(F)(F)F)n1,QULQMTSCSPDCQG-UHFFFAOYSA-N
-rxn:5:189319:225447:225450,CC(C)(C)OC(=O)c1nc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccc(OC2CCCCC2)cc1,OTYLQLLZRKWOIC-UHFFFAOYSA-N
-rxn:5:189320:223018:226350,COC(=O)c1c(C)ccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1C,SJWXXWRJSFDGQE-UHFFFAOYSA-N
-rxn:5:189665:227710:226330,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)s1)N1CCCC1,ZGMAKQBSOZYGEX-UHFFFAOYSA-N
-rxn:5:189668:225987:227416,O=C(Cc1ccc(-c2cc(F)nc(C3CCC3)c2)cc1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCCC1,XTNGKKANFYNMLR-UHFFFAOYSA-N
-rxn:5:189718:225440:228375,N#Cc1ccc(F)c(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(C3(C#N)CCCC3)cc2)c1F,ZCQIUZJLCOWTIX-UHFFFAOYSA-N
-rxn:5:189829:225814:226185,COc1c(-c2ccc(C3CCOCC3)cc2)cc(C(=O)N2CCCC2)cc1-c1cccc(C2(C(F)(F)F)CC2)c1,KIINGWFOXFROCA-UHFFFAOYSA-N
-rxn:5:189908:227505:222959,Cc1cc(-c2ncc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCC2)ccc1C1CCNCC1,ISXMARJZXBFEGC-OBGWFSINSA-N
-rxn:5:189952:226347:228399,COc1c(F)cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C)c(F)cc3OC(C)C)c2OC)cc1F,SRWWOXAWAGMILA-UHFFFAOYSA-N
-rxn:5:189952:226794:226644,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,TWQMCTWGJYIXNC-UHFFFAOYSA-N
-rxn:5:189952:227684:222417,COc1c(-c2cnn(CC3OCCO3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,WQXBMXKPKVTINS-UHFFFAOYSA-N
-rxn:5:190000:225987:227387,O=C(Cc1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCCCC1,OYXAAFPTMAUFBI-UHFFFAOYSA-N
-rxn:5:190097:225607:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1CCN1CCCCC1,VRQMRLXUUYKCEK-UHFFFAOYSA-N
-rxn:5:190127:227710:227626,COC1CCN(C(=O)c2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cnc(C3CCOC3)nc2)CC1,GFVACFFINZXVFR-UHFFFAOYSA-N
-rxn:5:190131:225987:227531,COC(=O)c1cc(F)cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC)c1,LSEFODPUWQEYFG-UHFFFAOYSA-N
-rxn:5:190177:225674:223058,O=C1CC(Sc2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)C(=O)N1c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1,CKEUDTCZMGHBPV-UHFFFAOYSA-N
-rxn:5:190194:227561:225498,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)cc1OC,DQCSDNFNBYSLBC-UHFFFAOYSA-N
-rxn:5:190196:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,SVGJWSFEFXDHOJ-UHFFFAOYSA-N
-rxn:5:190196:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cnn(CC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,FQSOKPZQLIPNHZ-UHFFFAOYSA-N
-rxn:5:190196:226643:226412,CN(Cc1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1cc(F)cc(N2CCCC2)c1)C1CCOCC1,FXRNGDGYLDUPNM-UHFFFAOYSA-N
-rxn:5:190196:226645:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DFHWLRXGKZSZJS-UHFFFAOYSA-N
-rxn:5:190197:227458:225976,CN1CCOc2cc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3CN(C)C3CCOCC3)cnc21,VUNJSOBXLGLRMC-UHFFFAOYSA-N
-rxn:5:190198:225930:227535,CCOc1cc(F)c(F)cc1-c1cccc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c1CN(C)C1CCOCC1,HOMYXDQSHWIKRT-UHFFFAOYSA-N
-rxn:5:190200:222417:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cnc(=O)[nH]c2C(C)C)c1,KRUOUQTUOGNRLI-UHFFFAOYSA-N
-rxn:5:190264:227048:226917,Cc1cc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(C(=O)C(C)C)cc2)cc(C(C)(C)C)c1,VVJOCPOAYUEVEE-UHFFFAOYSA-N
-rxn:5:190265:227956:226464,COc1ccc2c(c1-c1ccc(CC(=O)N3CCCC(C)C3)cc1-c1cc(C)nc(C(C)C)c1)OCCO2,LLXYXKUGKWKJSZ-UHFFFAOYSA-N
-rxn:5:190307:227070:226332,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccccc2C(=O)N2CCC2)c(CCN2CCC(C)CC2)c1,DICQQEFTADPXAW-UHFFFAOYSA-N
-rxn:5:190459:226920:227684,Cc1ccc(C(C)(C)C)cc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2cnn(CC3OCCO3)c2)CC1,QXOKLLQYYWYGMZ-UHFFFAOYSA-N
-rxn:5:190484:223240:227507,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,ZJWBDBOFOCOHKQ-UHFFFAOYSA-N
-rxn:5:190484:226583:223147,O=C(c1cccc(-c2ccc(CN3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,VWVSKIWOJTYHAA-UHFFFAOYSA-N
-rxn:5:190484:227069:228721,COc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnn4C(C)(C)C)S(=O)(=O)CC3)c2)c(C(C)C)c1,ATPYCCOURZTHMH-UHFFFAOYSA-N
-rxn:5:190484:227449:223311,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,NJBWZAQHPKDVNS-UHFFFAOYSA-N
-rxn:5:190484:227501:223142,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCCNC3)nc2)S(=O)(=O)CC1,QOZIYTAWTMCHMC-UHFFFAOYSA-N
-rxn:5:190585:225805:225833,CCOC(=O)c1[nH]c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,AKBLRUJCSPXHHV-UHFFFAOYSA-N
-rxn:5:190589:225805:225833,CCOC(=O)c1[nH]c2cccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccc(C(C)N2CCOCC2)s1,OUSATTLXDZIBQN-UHFFFAOYSA-N
-rxn:5:190596:225805:225982,CCOC(=O)c1cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,YUONSIHYNCJPCV-UHFFFAOYSA-N
-rxn:5:190647:225833:225607,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc2cc(-c3ccnc(N4CCCCC4)c3F)ccc12,RTFFICMDLOYRFD-UHFFFAOYSA-N
-rxn:5:190651:225805:225833,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)c2nccc(-c3ccnc(N4CCCCC4)c3F)c2c1,RTKLODDQNXIXEZ-UHFFFAOYSA-N
-rxn:5:190651:225805:225976,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)c2nccc(-c3ccnc(N4CCOCC4)c3F)c2c1,PUXAZQPBOMOBKQ-UHFFFAOYSA-N
-rxn:5:190740:223006:225655,CCOC(=O)c1cnc2c(C)cc(-c3ccc(F)c(C4CCNCC4)c3)cc2c1-c1cncc(N2CCC(C)CC2)c1,NBWCHJLAGVNTEI-UHFFFAOYSA-N
-rxn:5:190740:223061:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,CPJWMBPXCGIXMF-UHFFFAOYSA-N
-rxn:5:190740:223064:225600,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cccnc1OC1CCCCC1,GOMTZXRLCZMMAC-UHFFFAOYSA-N
-rxn:5:190740:223065:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,FXCBMQVQXKJFHM-UHFFFAOYSA-N
-rxn:5:190740:223065:225803,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccnc(OC2CCOCC2)c1,HYVCLENMONJNLN-UHFFFAOYSA-N
-rxn:5:190740:225592:225638,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)ccc3CN3CCCC3)cc2c1-c1ccc(N2CCC(C)CC2)nc1,ZVZNHFPUMAZEOX-UHFFFAOYSA-N
-rxn:5:190740:225594:225638,CCOC(=O)c1cnc2c(C)cc(-c3ccc(F)cc3CN3CCCC3)cc2c1-c1ccc(N2CCC(C)CC2)nc1,KQTBCXSWJFLXBM-UHFFFAOYSA-N
-rxn:5:190740:225794:223007,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCCC4)nc3)cc2c1-c1cc(F)cc(C2CCNCC2)c1,ZCHCQOUGXXLAPO-UHFFFAOYSA-N
-rxn:5:190740:225833:226654,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1csc(N2CCC(C)CC2)n1,AUCRYUOQTHPKOK-UHFFFAOYSA-N
-rxn:5:190740:225976:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCCCC2)ncc1F,CDABGLFSWCLECT-UHFFFAOYSA-N
-rxn:5:190740:225978:225641,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,NJPAXISBNFGQNB-UHFFFAOYSA-N
-rxn:5:190740:225980:225636,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,DFEVDHWWVZIUHD-UHFFFAOYSA-N
-rxn:5:190740:225982:225798,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(OC2CCOCC2)nc1,FLWAVSOVNVCADD-UHFFFAOYSA-N
-rxn:5:190741:223008:225794,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ccc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,KNELMSFGZIFAIM-UHFFFAOYSA-N
-rxn:5:190741:223064:225803,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,CNUGGGUYENOWEY-UHFFFAOYSA-N
-rxn:5:190741:223065:225598,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cccc(CN2CCSCC2)c1,ABYZDXIJVYWSIZ-UHFFFAOYSA-N
-rxn:5:190741:225794:223000,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)cc(C)cc2c1-c1ccc(C2CCCNC2)c(F)c1,ZMLBHKNWXKWZLJ-UHFFFAOYSA-N
-rxn:5:190741:225794:225870,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)cc(C)cc2c1-c1cc(F)cc(N2CCOCC2)c1,YRUBXMFMZVOVBH-UHFFFAOYSA-N
-rxn:5:190741:225833:225598,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cccc(CN2CCSCC2)c1,WGYNYYMLFFUMLH-UHFFFAOYSA-N
-rxn:5:190741:225833:225639,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,KWLOCSFBZMUKQG-UHFFFAOYSA-N
-rxn:5:190741:225870:225794,CCOC(=O)c1cnc2c(-c3cc(F)cc(N4CCOCC4)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,LIUNNTHQFYDUET-UHFFFAOYSA-N
-rxn:5:190741:225881:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,DBILAUGASIHJFL-UHFFFAOYSA-N
-rxn:5:190741:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,LPJDMTAHVNCSKT-UHFFFAOYSA-N
-rxn:5:190741:225976:225605,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cc(C)cnc1OC1CCCC1,WWGLHGHWKOUFRS-UHFFFAOYSA-N
-rxn:5:190741:225976:225652,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cncc(N2CCCC(C)C2)c1,DRFRPZVPRWZATA-UHFFFAOYSA-N
-rxn:5:190741:225976:225980,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,XVHKKHRIFRBFST-UHFFFAOYSA-N
-rxn:5:190741:225982:225638,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,CKCPXEJZCWPYPU-UHFFFAOYSA-N
-rxn:5:190741:225982:225794,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,UBYZLGIMLRXVRU-UHFFFAOYSA-N
-rxn:5:190741:226424:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCCC(C)C4)cs3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,DJKTYTDFRUDZQM-UHFFFAOYSA-N
-rxn:5:190741:226426:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,AYRFECMCQWNUHQ-UHFFFAOYSA-N
-rxn:5:190741:226662:223000,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1ccc(C2CCCNC2)c(F)c1,KDENUMUIXQPUMJ-UHFFFAOYSA-N
-rxn:5:190741:226662:223006,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,YZNPYMDLBNCDLW-UHFFFAOYSA-N
-rxn:5:190742:223000:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCCNC4)c(F)c3)c2c1-c1cnc(OC2CCCCC2)nc1,RRUZCHNQNLWAAK-UHFFFAOYSA-N
-rxn:5:190742:223062:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,IDLBUMVOSJGBMP-UHFFFAOYSA-N
-rxn:5:190742:223064:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccc(C2CCNCC2)nc1F,RILKTAPHDLGCMG-UHFFFAOYSA-N
-rxn:5:190742:223064:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cnc(N2CCCCC2)cc1F,AVYJXVIZXVYBGO-UHFFFAOYSA-N
-rxn:5:190742:223065:225639,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccnc1N1CCC(C)CC1,XECPSSSBQNZIQQ-UHFFFAOYSA-N
-rxn:5:190742:223065:225798,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(OC2CCOCC2)nc1,DZBXIKKLDDWKOE-UHFFFAOYSA-N
-rxn:5:190742:225655:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(C2CCNCC2)nc1F,XWNNMMPKEOLZCT-UHFFFAOYSA-N
-rxn:5:190742:225794:223007,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCCC4)nc3)c2c1-c1cc(F)cc(C2CCNCC2)c1,VJGFDNXVSKQOJK-UHFFFAOYSA-N
-rxn:5:190742:225794:225868,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCCC4)nc3)c2c1-c1ccc(N2CCOCC2)c(F)c1,CFWLPVGSVXDNDI-UHFFFAOYSA-N
-rxn:5:190742:225803:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,PCODJNKENVMCJF-UHFFFAOYSA-N
-rxn:5:190742:225806:225639,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCC4)cc3F)c2c1-c1cccnc1N1CCC(C)CC1,SVFZJLWJRCVCIW-UHFFFAOYSA-N
-rxn:5:190742:225870:225794,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCOCC4)c3)c2c1-c1cnc(OC2CCCCC2)nc1,QZAILJVDKAEBTH-UHFFFAOYSA-N
-rxn:5:190742:225874:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(N4CCOCC4)c3)c2c1-c1cnc(OC2CCCCC2)nc1,DJCWGHHCIUYXQA-UHFFFAOYSA-N
-rxn:5:190742:225976:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JDIAKVQJGZMIRG-UHFFFAOYSA-N
-rxn:5:190742:225976:225637,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccccc1N1CCN(C)CC1,QEOKJYCWDHDQKL-UHFFFAOYSA-N
-rxn:5:190742:225976:225654,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCCC(C)C2)nc1,SYWCXZLTRAHRMY-UHFFFAOYSA-N
-rxn:5:190742:225976:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(N2CCCCC2)c1F,ZZSZKPYPICNAOF-UHFFFAOYSA-N
-rxn:5:190742:225978:225639,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cccnc1N1CCC(C)CC1,MCVORVMURZCZSF-UHFFFAOYSA-N
-rxn:5:190742:225978:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(C2CCOCC2)nc1F,YGAAMMZYPSYICB-UHFFFAOYSA-N
-rxn:5:190742:225978:226583,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCOCC2)s1,LFTWPNIITBQPBQ-UHFFFAOYSA-N
-rxn:5:190742:225978:226661,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cc(N2CCN(C)CC2)cs1,PVWAATXLRANTCC-UHFFFAOYSA-N
-rxn:5:190742:225982:225636,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCC(C)CC2)c1,HOXHKBCCQVRLJA-UHFFFAOYSA-N
-rxn:5:190742:225982:225637,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccccc1N1CCN(C)CC1,YMIYWBRGILQDCK-UHFFFAOYSA-N
-rxn:5:190742:226661:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccnc(N2CCOCC2)c1F,DFYRJVUWUYGHJZ-UHFFFAOYSA-N
-rxn:5:190743:223007:225794,CCOC(=O)c1cnc2c(C)c(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1cnc(OC2CCCCC2)nc1,SGBZJQGUCUDLLV-UHFFFAOYSA-N
-rxn:5:190743:225976:223062,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,NGPYRMSBTPVDSJ-UHFFFAOYSA-N
-rxn:5:190744:223061:223064,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,WMJCEUBOLDWZIE-UHFFFAOYSA-N
-rxn:5:190744:223062:225833,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,STDQNCBYBJDPKS-UHFFFAOYSA-N
-rxn:5:190744:223062:225834,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,FUSTWCKTONMCOB-UHFFFAOYSA-N
-rxn:5:190744:223064:225631,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccc(N2CCN(C)CC2)cc1,KAGICQSRIBWJEZ-UHFFFAOYSA-N
-rxn:5:190744:223064:225849,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,FNARRVXHFOTKSV-UHFFFAOYSA-N
-rxn:5:190744:223065:225638,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCC(C)CC2)nc1,MLZQJUQKILMBGD-UHFFFAOYSA-N
-rxn:5:190744:225639:225593,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cc(F)cc(CN2CCCC2)c1,ADQWWKJMPKOSOH-UHFFFAOYSA-N
-rxn:5:190744:225639:225833,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,QOFPPSZVDMPVTM-UHFFFAOYSA-N
-rxn:5:190744:225655:223061,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,ILZYNMJMIOELRI-UHFFFAOYSA-N
-rxn:5:190744:225833:223064,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,UKZZPDAMZNBLDG-UHFFFAOYSA-N
-rxn:5:190744:225976:225636,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,VKUJZCUIFHTGGI-UHFFFAOYSA-N
-rxn:5:190744:225982:223061,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,FZLPQFVEUNGNLH-UHFFFAOYSA-N
-rxn:5:190744:226426:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,JYOVGTDHEADKJP-UHFFFAOYSA-N
-rxn:5:190744:226662:223006,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,XCEFUVLDKQPJAG-UHFFFAOYSA-N
-rxn:5:190797:225407:225450,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(=O)C4CCCC4)cc3)cc(-c3ccc(C4CCCCCC4)cc3)cc21,QTYULHHZIUFJLE-UHFFFAOYSA-N
-rxn:5:190798:226085:225450,CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)CCC(C)(C)O3)c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc21,IMNLPFPLMVBSBY-UHFFFAOYSA-N
-rxn:5:190799:225871:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1-c1cccc(N2C(=O)C=CC2=O)c1,FNNCKJSIYRESNE-UHFFFAOYSA-N
-rxn:5:190799:226140:225450,COc1ccc(C(C)(C)C)cc1-c1c(-c2ccc(C(=O)C3CCCC3)cc2)ccc2c1ccn2C(=O)OC(C)(C)C,IOOGCSSYLDLFPZ-UHFFFAOYSA-N
-rxn:5:190859:227939:227119,COC(C)c1ccccc1-c1ccc2c(c1-c1cc(C3CCCCC3)cs1)CCN2C(=O)OC(C)(C)C,QIWIVTMTKWLXDV-UHFFFAOYSA-N
-rxn:5:190998:227379:223141,COC(=O)c1cc(-c2cncc(C3CCNCC3)c2)ccc1N1Cc2cc(-c3cccnc3N3CCCC3)ccc2OCC1=O,PQXXAZKSKALNSX-UHFFFAOYSA-N
-rxn:5:190998:227810:226068,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)cc1,AGWCUBSQPWCHTK-UHFFFAOYSA-N
-rxn:5:190998:228712:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3ccnn3C3CCC3)ccc2OCC1=O,VXLPPLJRRHTDIJ-UHFFFAOYSA-N
-rxn:5:191026:227810:226974,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc5c(c4)COC5(C)C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,CQQLABNYDVKGGY-UHFFFAOYSA-N
-rxn:5:191026:228547:226322,CCCc1ccncc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(=O)N(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,XFQABRZBQRZMBV-UHFFFAOYSA-N
-rxn:5:191802:225607:225613,CC(c1ccc(-c2cc(-c3ccnc(OC4CCCCC4)c3)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,JXLJJKBKSHUHBW-UHFFFAOYSA-N
-rxn:5:192234:226649:223054,COc1c(-c2ccc(C(C)N3CCC(O)C3)s2)cc(-c2cccnc2N2CCOCC2)cc1S(N)(=O)=O,HSXIKXSCJILJSC-UHFFFAOYSA-N
-rxn:5:192236:225454:222988,COc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(S(N)(=O)=O)cc1-c1ccc(C2=CCN(C)CC2)cc1,WLJJXUZVLUWRDI-UHFFFAOYSA-N
-rxn:5:192236:225806:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cnc(OC2CCCC2)cc1F,FKDDPNYWFXEIGE-UHFFFAOYSA-N
-rxn:5:192562:225674:225987,N#CC1(c2ccc(-c3cnc(C4CCCCC4)cc3F)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)CCC1,BTWRAQZRCFRGBG-UHFFFAOYSA-N
-rxn:5:192563:223062:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(C(=O)N2CCC2)cc(-c2cnc(C3CCNCC3)cc2F)c1,NIGIEHNUOVKDRE-UHFFFAOYSA-N
-rxn:5:192568:223065:225871,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCC1,JCUJHBDGHRVGDM-UHFFFAOYSA-N
-rxn:5:192570:223105:225833,CNS(=O)(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2-c2ccnc(N3CCCCC3)c2F)c(F)cc1C,ARODZBQWRMQYCW-UHFFFAOYSA-N
-rxn:5:192571:223065:225985,O=C(c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cccc(N2CCCS2(=O)=O)c1)N1CCC1,YPYZHHJOCKIWEO-UHFFFAOYSA-N
-rxn:5:192571:225833:225987,O=C(c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCC1,GQRUVFIXXDALTB-UHFFFAOYSA-N
-rxn:5:193046:223065:225873,CC(C)(C)c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cccc(N3CCOCC3=O)c2)c([N+](=O)[O-])c1,XOJPHJUFQJTMGS-UHFFFAOYSA-N
-rxn:5:193226:226794:225834,O=C(c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(N3CCCCC3)ncc2F)c1)N1CCOCC1,GPPPQQPVJATDEX-UHFFFAOYSA-N
-rxn:5:193229:225976:226395,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cncc(N2CCCCC2)c1)N1CCOCC1,MWAVQCZEWQSWRZ-UHFFFAOYSA-N
-rxn:5:193229:226679:225987,O=C(c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1ccc(N2CCCS2(=O)=O)cc1)N1CCOCC1,UGSHEBWVNQMUPT-UHFFFAOYSA-N
-rxn:5:193229:227491:223006,O=C(c1cccc(-c2cnc(OC3CCC3)nc2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,WMDVDLOPGUUMFC-UHFFFAOYSA-N
-rxn:5:193230:225655:223006,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2)CC1,HZFOOWATMWGYDQ-UHFFFAOYSA-N
-rxn:5:193334:223058:223054,CC(c1ccc(-c2cccc(CN3CCOCC3)c2-c2cc(F)nc(C3CCCNC3)c2)s1)N1CCC(O)C1,WKKKMXAIVRBPKX-UHFFFAOYSA-N
-rxn:5:193382:222958:223311,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNC4)c3)c2)cc1C1CCNCC1,QGDYZJRYRYCXTQ-UHFFFAOYSA-N
-rxn:5:193382:222998:223002,O=S(=O)(c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,OUIJXNDFIQQKPG-UHFFFAOYSA-N
-rxn:5:193382:223008:225640,CC1CCCCN1c1cc(-c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)ccn1,JDDHCWAMOKFIDS-UHFFFAOYSA-N
-rxn:5:193382:223134:222960,Cc1cc(-c2cc(-c3cnccc3C3CCCNC3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,SNAYPQPMKZGWFU-UHFFFAOYSA-N
-rxn:5:193382:223137:225636,CC1CCN(c2cc(-c3cc(-c4cncc(C5CCCNC5)c4)ccc3S(=O)(=O)N3CCOCC3)ccn2)CC1,ATYQGHVYKGVFDX-UHFFFAOYSA-N
-rxn:5:193382:223148:223138,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1ccnc(C2CCNCC2)c1)N1CCOCC1,IGBRSMAGHFYSDR-UHFFFAOYSA-N
-rxn:5:193382:223148:226330,CC(c1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,RUWJWASZRMCEKV-UHFFFAOYSA-N
-rxn:5:193382:223200:226415,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)cc2)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,HPARPRKVJQRTQV-UHFFFAOYSA-N
-rxn:5:193382:223285:227656,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(N3CCOCC3)cs2)c1,YFHOLFVZSAMRSX-UHFFFAOYSA-N
-rxn:5:193382:223286:227449,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)s3)c2)c1,QRBLPZLGCLCIHL-UHFFFAOYSA-N
-rxn:5:193382:223287:226643,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c2)cc1,CUCFOOOMGKGLJV-UHFFFAOYSA-N
-rxn:5:193382:223295:223138,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNCC4)c3)c2)c1,DMEZAFTYQAHWCQ-UHFFFAOYSA-N
-rxn:5:193382:225636:226413,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(N5CCOCC5)c4)c3)ccn2)CC1,MHWKWOHYHDASBU-UHFFFAOYSA-N
-rxn:5:193382:225803:223064,O=S(=O)(c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,FJMKEVTVWYGPAW-UHFFFAOYSA-N
-rxn:5:193382:225868:225926,O=S(=O)(c1ccc(-c2cc(-c3ccc(N4CCOCC4)c(F)c3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,VBLVQPYEVTVXCJ-UHFFFAOYSA-N
-rxn:5:193382:225925:225641,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,FIGRCDLWKDAPIP-UHFFFAOYSA-N
-rxn:5:193382:225943:225987,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)s1)N1CCOCC1,YBJBEKSKFVYGFB-UHFFFAOYSA-N
-rxn:5:193382:225976:223002,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,JBBSAXJMKQOKGM-UHFFFAOYSA-N
-rxn:5:193382:225982:225926,O=S(=O)(c1ccc(-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,FHLYRLXQGWGOMB-UHFFFAOYSA-N
-rxn:5:193382:226177:223148,O=S(=O)(c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1ccccc1C1CNCCO1)N1CCOCC1,YKOHYYJCSWZACI-UHFFFAOYSA-N
-rxn:5:193382:226366:223136,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccncc1C1CCCNC1)N1CCOCC1,DOKWFUXRPVCISV-UHFFFAOYSA-N
-rxn:5:193382:226645:225657,Cc1cc(-c2cc(-c3ccnc(N4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,JBSBJFOHRYKRAL-UHFFFAOYSA-N
-rxn:5:193382:226662:223294,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4csc(N5CCNCC5)n4)c3)s2)CC1,BHLAORDNFYPCJD-UHFFFAOYSA-N
-rxn:5:193382:226662:223311,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CNC5)c4)c3)s2)CC1,CPJDIKBQZWRGLJ-UHFFFAOYSA-N
-rxn:5:193382:227376:226366,O=S(=O)(c1ccc(-c2cncc(N3CCCC3)c2)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,MGTMSDYTCSTIBM-UHFFFAOYSA-N
-rxn:5:193382:227684:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1S(=O)(=O)N1CCOCC1,WLJOBHHCUYEMTF-UHFFFAOYSA-N
-rxn:5:193382:227710:226654,CC1CCN(c2nc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)ccc3S(=O)(=O)N3CCOCC3)cs2)CC1,GMSWOJSIJHHKEH-UHFFFAOYSA-N
-rxn:5:193382:227803:227438,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,ZTOSSIFQIMOPAL-UHFFFAOYSA-N
-rxn:5:193464:226424:225802,CC1CCCN(c2csc(-c3ccc(C4(C#N)CCCCC4)c(-c4ccc(OC5CCCC5)nc4F)c3)c2)C1,NGJYIQTXEQBWBS-UHFFFAOYSA-N
-rxn:5:193469:226891:225926,C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2F)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,XBJWCGSWSWGBOV-QGZVFWFLSA-N
-rxn:5:193506:223133:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCNCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,LEMRQWFAJWWJCC-UHFFFAOYSA-N
-rxn:5:193506:223139:223355,CNC(=O)c1ccccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,FMVSCKAMVSLRFB-UHFFFAOYSA-N
-rxn:5:193506:223201:226330,CC(c1ccc(-c2cc(-c3ccccc3C3CCNC3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,JZNABAILXSQNEX-UHFFFAOYSA-N
-rxn:5:193506:225805:228878,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4COC4)c3)c2)s1)N1CCOCC1,WVWVPPUOKJZWEL-UHFFFAOYSA-N
-rxn:5:193506:226420:227093,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2cccnc2C2CCCC2)CC1,GGESJEQVCXAQOS-UHFFFAOYSA-N
-rxn:5:193506:226441:227089,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2ccncc2C2CCCC2)CC1,JXMHWWWBKWJNAX-UHFFFAOYSA-N
-rxn:5:193506:227438:225805,CC(c1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,SSASLROCNDWJLT-UHFFFAOYSA-N
-rxn:5:193506:228103:222959,Cc1cc(-c2cc(-c3cnc(CC(C)C)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,LJQPVFZGXHWBGZ-UHFFFAOYSA-N
-rxn:5:193506:228103:223148,CC(C)Cc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)cn1,YTPQCXPIDBZWSC-UHFFFAOYSA-N
-rxn:5:193506:228692:223138,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)s1,LEVMWUYLZWBWQE-UHFFFAOYSA-N
-rxn:5:193598:226611:226145,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(OC3CCCC3)cc2)c(C(=O)N2CCOC(C)C2)c1,AHRBEPRRNGGAFF-UHFFFAOYSA-N
-rxn:5:193750:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C(=O)N2CCC(C)CC2)c1,HWPZPWMGSLVWDH-UHFFFAOYSA-N
-rxn:5:193750:225601:228435,CSc1ccc(F)c(F)c1-c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)cc1C(=O)N1CCC(C)CC1,FQHIBXXCTYZIPH-UHFFFAOYSA-N
-rxn:5:193752:223189:227048,CC1CCCN(C(=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)c(-c3ccc(C(=O)C(C)C)cc3)c2)C1,SGZTVLYQFJICMS-UHFFFAOYSA-N
-rxn:5:193754:226679:225987,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(N3CCCS3(=O)=O)cc2)CC1,MBCAXOABVVMROC-UHFFFAOYSA-N
-rxn:5:193756:226324:226844,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,MHVHGEVFRIBNBA-UHFFFAOYSA-N
-rxn:5:193756:226844:225592,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cc(F)ccc1CN1CCCC1,BYOHMFYBZHZXHH-UHFFFAOYSA-N
-rxn:5:193809:223173:225655,CC1CCN(Cc2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2cncc(N3CCC(C)CC3)c2)CC1,QIPJNDIHLOGKOT-UHFFFAOYSA-N
-rxn:5:193866:227059:226914,COc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(CC(C)C)cc2C)cc1C(C)C,FXKFEHZRFPRHOY-UHFFFAOYSA-N
-rxn:5:193866:227311:227591,CCC(C)c1cc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C(F)F)cc2OC)cn1,LRLHBIVJYGGYHW-UHFFFAOYSA-N
-rxn:5:193867:226058:228148,COc1cccc(-c2cc(-c3c(C(C)C)cccc3C(C)C)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,QVYAIUKJLCININ-UHFFFAOYSA-N
-rxn:5:193868:227772:225594,CC1CN(C(=O)c2cc(-c3cncc(OC(F)(F)F)c3)ccc2-c2ccc(F)cc2CN2CCCC2)CC(C)O1,SBSFRDVBROPLCE-UHFFFAOYSA-N
-rxn:5:193868:228923:225784,CSc1ccnc(F)c1-c1ccc(-c2ccc(CN3CCOCC3)nc2)c(C(=O)N2CC(C)OC(C)C2)c1,JMCBJWONDYNSOU-UHFFFAOYSA-N
-rxn:5:193869:225666:229057,Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,CQHUBVDPFOCAAB-UHFFFAOYSA-N
-rxn:5:193869:225849:228584,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,MJHDHQGOVVNMOQ-UHFFFAOYSA-N
-rxn:5:193869:226440:227080,Cc1cc(-c2cc(F)nc(C3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(N2CCCC2)c1,KSOXSRSGVQCYRT-UHFFFAOYSA-N
-rxn:5:193869:227106:227387,Cc1cc(-c2cc(C3CC3)c(C)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,KIIKJYDPHUFZIH-UHFFFAOYSA-N
-rxn:5:193869:227684:222420,Cc1cc(-c2cnn(CC3OCCO3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,LOBFIUZTXJBXTA-UHFFFAOYSA-N
-rxn:5:193869:228064:226412,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,WFQIOMLZZRSETO-UHFFFAOYSA-N
-rxn:5:193869:228064:226420,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(F)c(N2CCCC2)c1,QOPYFAURINAWHE-UHFFFAOYSA-N
-rxn:5:193869:228064:226431,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)c(F)c1,VDDQEHSGTZMBRP-UHFFFAOYSA-N
-rxn:5:193869:228234:226395,Cc1cc(-c2c(C3CC3)ccnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,AFIRFUDAWGOKBT-UHFFFAOYSA-N
-rxn:5:193869:228883:225652,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC(C)C2)c1,IORSMLXUMQKNAX-UHFFFAOYSA-N
-rxn:5:193869:228883:225655,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,GEVRCVVPQHYBDF-UHFFFAOYSA-N
-rxn:5:193869:229057:225666,Cc1cc(-c2cnn(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,OQPXBYDIPIKKFD-UHFFFAOYSA-N
-rxn:5:193870:223397:225833,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc2c(c1)CCN2,LTQGIJKYCGTPQW-UHFFFAOYSA-N
-rxn:5:193870:225633:228649,Cc1cc(C)c(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(F)c1,YDXIVCSNIULTKD-UHFFFAOYSA-N
-rxn:5:193870:225636:228635,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(C)c2C)cc1-c1ccnc(N2CCC(C)CC2)c1,PLHUEJGUOZZCMI-UHFFFAOYSA-N
-rxn:5:193870:225636:228888,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)ncc2F)cc1-c1ccnc(N2CCC(C)CC2)c1,QJSPIRBSFLEAND-UHFFFAOYSA-N
-rxn:5:193870:225833:228574,Cc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)c(C#N)c1,SMMNGOCICFIGAZ-UHFFFAOYSA-N
-rxn:5:193870:225833:228575,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccc1C#N,JYTBRNOFWMJAFZ-UHFFFAOYSA-N
-rxn:5:193870:225833:228588,CC#Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccn1,WTZPAGPZGQOCDG-UHFFFAOYSA-N
-rxn:5:193870:225833:228637,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,HXPMLQXVPMIFRU-UHFFFAOYSA-N
-rxn:5:193870:225833:228709,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,WFBHDQIYSIGFOL-UHFFFAOYSA-N
-rxn:5:193870:225849:228572,Cc1ccc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)cc1C#N,UYNZTIGDOIOYRV-UHFFFAOYSA-N
-rxn:5:193870:225849:228574,Cc1ccc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)c(C#N)c1,JCMUJJOANBBJGO-UHFFFAOYSA-N
-rxn:5:193870:225849:228709,Cc1cc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,CUICWNYNRVASRJ-UHFFFAOYSA-N
-rxn:5:193870:226366:227952,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)cc1C#N,YKVFAYSMNKACKL-UHFFFAOYSA-N
-rxn:5:193870:226366:228234,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C3CC3)ccnc2F)cc1-c1ccnc(N2CCCCC2)c1,XWQNPUKCFJVPKG-UHFFFAOYSA-N
-rxn:5:193870:226395:228214,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CC3)cc2F)cc1-c1cncc(N2CCCCC2)c1,SIIFENIZRBESSR-UHFFFAOYSA-N
-rxn:5:193870:226420:227091,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C3CCCC3)c2)cc1-c1ccc(F)c(N2CCCC2)c1,ODNDFJHYBGHAOJ-UHFFFAOYSA-N
-rxn:5:193870:226420:227093,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccnc2C2CCCC2)cc1-c1ccc(F)c(N2CCCC2)c1,MNUAZPLRWNUFEX-UHFFFAOYSA-N
-rxn:5:193870:226420:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccc(F)c(N2CCCC2)c1,SUJRNKDJBMTJOI-UHFFFAOYSA-N
-rxn:5:193870:226431:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccc(N2CCCC2)c(F)c1,URXYOLPDAAPAJL-UHFFFAOYSA-N
-rxn:5:193870:226441:227089,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccncc2C2CCCC2)cc1-c1ccc(N2CCCC2)cc1F,DPHYFBVBMKQQIV-UHFFFAOYSA-N
-rxn:5:193870:226661:223147,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cc(N2CCN(C)CC2)cs1,RQNZNEIAEIAWNJ-UHFFFAOYSA-N
-rxn:5:193870:226679:227870,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)C(=O)CC3)cc1-c1cnc(N2CCCC2)cc1F,BXBNYVOMVBMFCV-UHFFFAOYSA-N
-rxn:5:193870:226679:227959,Cc1cnc(C2CC2)c(-c2cc(-c3cnc(N4CCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)c1,BZKCXSPZBJOWBX-UHFFFAOYSA-N
-rxn:5:193870:227387:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1ccnc(N2CCCC2)c1,RKLHVYPEEGZSLH-UHFFFAOYSA-N
-rxn:5:193870:227387:227106,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CC3)c(C)cc2F)cc1-c1ccnc(N2CCCC2)c1,JUSFXCCBYJFTIL-UHFFFAOYSA-N
-rxn:5:193870:227387:227413,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCC3)cc2F)cc1-c1ccnc(N2CCCC2)c1,DMIRBRGUGLJFAQ-UHFFFAOYSA-N
-rxn:5:193870:227958:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1ccnc(C2CCC2)c1,NUJCUWOMHRJDJP-UHFFFAOYSA-N
-rxn:5:193870:228234:226729,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCOC3)nc2)cc1-c1c(C2CC2)ccnc1F,DYQSCCSQBSYFOY-UHFFFAOYSA-N
-rxn:5:193870:228584:225679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)cc2F)cc1-c1ccnc(C2CC2)c1,TVGIJESDHBCTJU-UHFFFAOYSA-N
-rxn:5:193870:228584:225833,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccnc(C2CC2)c1,XYUZWNNICUELQF-UHFFFAOYSA-N
-rxn:5:193870:228584:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccnc(C2CC2)c1,LBOJWTLXQUHNLQ-UHFFFAOYSA-N
-rxn:5:193870:228701:225679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)cc2F)cc1-c1cnc(C2CC2)nc1,SWCIJRYVVLCOFB-UHFFFAOYSA-N
-rxn:5:193870:228709:225833,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C#N)n1,KFFZAOCUNFPNGO-UHFFFAOYSA-N
-rxn:5:193870:228868:223146,COC(=O)c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)s1,NKUYZSLYURTNJN-UHFFFAOYSA-N
-rxn:5:193870:229057:225666,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCCC3)c2)cc1-c1cnn(C2CC2)c1,SGHCNIGQMOOBHV-UHFFFAOYSA-N
-rxn:5:193872:223389:227451,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc(C2CC2(F)F)cc1,AJUXCYAMKJHVOC-UHFFFAOYSA-N
-rxn:5:193889:225633:225454,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(C3=CCN(C)CC3)cc2)n1,ZBNGJXDYZFTYJM-UHFFFAOYSA-N
-rxn:5:193889:225633:225833,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccnc(N3CCCCC3)c2F)n1,KYVYSDUNOXRIKW-UHFFFAOYSA-N
-rxn:5:193889:225633:225849,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2cnc(N3CCCCC3)cc2F)n1,QXVFAZCKEHQYBZ-UHFFFAOYSA-N
-rxn:5:193889:225833:225987,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccnc(N4CCCCC4)c3F)c2C)c(-c2ccc(N3CCCS3(=O)=O)cc2)n1,QTIJAWRPHIDZGH-UHFFFAOYSA-N
-rxn:5:193889:225849:225987,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cnc(N4CCCCC4)cc3F)c2C)c(-c2ccc(N3CCCS3(=O)=O)cc2)n1,YOLYUENOWMBPKW-UHFFFAOYSA-N
-rxn:5:193912:223001:225593,O=C1CS(=O)C(c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)C(=O)N1c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1,KHIXXLJNOWDQCE-UHFFFAOYSA-N
-rxn:5:193912:226351:222990,Cc1cc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccc(N6CCC(O)CC6)cc5)cc4)C3=O)cc2)cc(OC(C)C)c1F,NQTJPRCODWSISL-UHFFFAOYSA-N
-rxn:5:193967:227562:226907,COc1ccc(F)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCC43CC3)c2)c1OC,GPZRFUFQMDWHGG-UHFFFAOYSA-N
-rxn:5:193972:225805:222420,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,DBLBQTRZFQMLGJ-UHFFFAOYSA-N
-rxn:5:193972:225833:228976,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C=C2,SFWPESPFDMKFMT-UHFFFAOYSA-N
-rxn:5:193972:225833:229059,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnccc1C#N,XTQDKDLMEZODCV-UHFFFAOYSA-N
-rxn:5:193972:225833:229060,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,LIELBQWPRZHDKB-UHFFFAOYSA-N
-rxn:5:193972:225833:229063,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C#N,WPWWNFYSWSXZDT-UHFFFAOYSA-N
-rxn:5:193972:225849:228976,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C=C2,FJJPGAWHAPBHBM-UHFFFAOYSA-N
-rxn:5:193972:225849:229059,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnccc1C#N,ODNJWSDLFUCAPM-UHFFFAOYSA-N
-rxn:5:193972:225849:229060,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,LDGIPEPMMOLVCU-UHFFFAOYSA-N
-rxn:5:193972:225849:229063,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C#N,CMNSYOHAQZGHOA-UHFFFAOYSA-N
-rxn:5:193972:225853:225636,Cc1cc(-c2ccc(-n3ccnc3C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,ILJYFOGUUVHHEP-UHFFFAOYSA-N
-rxn:5:193972:226412:229057,Cc1cc(-c2cc(F)cc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CC2)c1,AFLVJIIBQXXCDR-UHFFFAOYSA-N
-rxn:5:193972:226441:229057,Cc1cc(-c2ccc(N3CCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CC2)c1,RASHOUFZONRSLQ-UHFFFAOYSA-N
-rxn:5:193972:226679:228584,Cc1cc(-c2cnc(N3CCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CC2)c1,VMBBZXGGXODWTJ-UHFFFAOYSA-N
-rxn:5:193972:227459:225636,Cc1cc(-c2cc3c(cnn3C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,XFLYKRGSODYDTF-UHFFFAOYSA-N
-rxn:5:193972:228234:227376,Cc1cc(-c2c(C3CC3)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCC2)c1,IFMJWNCEELLDJP-UHFFFAOYSA-N
-rxn:5:193972:228333:225820,COc1nccc(SC)c1-c1cc(C)c(-c2c(C3CC3)cccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCCC1,YGIMEUATIKMXSO-UHFFFAOYSA-N
-rxn:5:193972:228430:223200,CSc1cc(F)c(-c2cc(C)c(-c3ccc(C4CCNC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,WDCHSGUFMYRVTQ-UHFFFAOYSA-N
-rxn:5:193972:228753:226366,Cc1cc(-c2cccc(F)c2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,RAOYGVFRFNBGDH-UHFFFAOYSA-N
-rxn:5:193972:228883:226177,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCCCC2)c1,DREMEGYPBHDECG-UHFFFAOYSA-N
-rxn:5:193972:228883:226366,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MPTFVGZOICQPRZ-UHFFFAOYSA-N
-rxn:5:193972:228888:225636,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,GJUNXVKNVOYGBV-UHFFFAOYSA-N
-rxn:5:193972:228888:226177,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCCCC2)c1,FNSNMUJEEMZMMF-UHFFFAOYSA-N
-rxn:5:193972:228888:226366,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,NSPIINOPIADEDV-UHFFFAOYSA-N
-rxn:5:193972:229097:225636,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,AHVJOQDXJVCFIK-UHFFFAOYSA-N
-rxn:5:193972:229097:226661,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,BHCHFJHXECUGEP-UHFFFAOYSA-N
-rxn:5:193972:229097:226662,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,QVHVFQZDNUTGIL-UHFFFAOYSA-N
-rxn:5:193972:229099:225636,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,ZELCWPOOLHDRGX-UHFFFAOYSA-N
-rxn:5:193972:229099:225655,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,IIQONPCPTJKJMR-UHFFFAOYSA-N
-rxn:5:193972:229099:226661,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,YXPAEISVLBGPAK-UHFFFAOYSA-N
-rxn:5:193972:229099:226662,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,QPHRDVLDAWGYIZ-UHFFFAOYSA-N
-rxn:5:193972:229107:225636,Cc1cc(-c2c(C)cncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,OEKPXLACJNUNJS-UHFFFAOYSA-N
-rxn:5:193972:229110:226662,Cc1cc(-c2ccnc(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,QPAQNJMOAFVQSZ-UHFFFAOYSA-N
-rxn:5:194058:223054:226661,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCC(O)C1,NUZOLWLPOVHUHF-UHFFFAOYSA-M
-rxn:5:194058:225607:225633,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCCC3)nc2)s1)N1CCCCC1,GNNHHOPAYNGFOC-UHFFFAOYSA-M
-rxn:5:194058:225607:225978,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCCCC1,DBQLYZFYBHUMQE-UHFFFAOYSA-M
-rxn:5:194058:225805:225833,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCOCC1,SOSDPCLWXDXCAV-UHFFFAOYSA-M
-rxn:5:194058:225833:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCCCC1,XPIZQWQJDXCFBS-UHFFFAOYSA-M
-rxn:5:194058:225849:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCCCC1,FFHPYXFIGHTYAL-UHFFFAOYSA-M
-rxn:5:194058:225872:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)c(F)c(N3CCCC3)c2)s1)N1CCCCC1,PUTZSZWRGXMATF-UHFFFAOYSA-M
-rxn:5:194058:226571:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCC(O)C1,POTJICDEZURFAA-UHFFFAOYSA-M
-rxn:5:194522:223132:225985,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCNCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,UTMWZVNORISNIM-UHFFFAOYSA-N
-rxn:5:194522:225985:226177,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccnc(C2CCCCC2)c1,KPWHBPDTMVSYRC-UHFFFAOYSA-N
-rxn:5:194522:225985:226364,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccc(N2CCCCC2)nc1,AJQURZODWILFOX-UHFFFAOYSA-N
-rxn:5:194522:225985:226395,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1cncc(N2CCCCC2)c1,VIOLHWGJQGLASU-UHFFFAOYSA-N
-rxn:5:194522:226395:225985,CC(C)CN1CCc2c1ccc(-c1cncc(N3CCCCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,BAIXWBFFYVQJBY-UHFFFAOYSA-N
-rxn:5:194522:226658:225985,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCCC3)nc1F)c2-c1cccc(N2CCCS2(=O)=O)c1,FPVCKRAPERPWTR-UHFFFAOYSA-N
-rxn:5:194522:226679:225985,CC(C)CN1CCc2c1ccc(-c1cnc(N3CCCC3)cc1F)c2-c1cccc(N2CCCS2(=O)=O)c1,GUPWALKLVIWCJK-UHFFFAOYSA-N
-rxn:5:194733:222987:225623,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cccc(OC3CCOCC3)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RCSDJNYGCOBKLL-UHFFFAOYSA-N
-rxn:5:194733:225461:228758,CSc1ncc(C)cc1-c1ccc(-c2ccc(N3CCCCC3)cc2C)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,YPCNHNZKGNHTTL-UHFFFAOYSA-N
-rxn:5:194733:225607:228844,Cc1c(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc(F)c1F,SLZXXXVIMRGXHP-UHFFFAOYSA-N
-rxn:5:194767:223004:228516,CCc1cc(C)cc(-c2ccc(-c3ccc(C4CCNCC4)c(F)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,POBSFMFDXGZJBT-UHFFFAOYSA-N
-rxn:5:194791:227350:228363,COc1cc(C)cc(OC)c1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cnc(N(C)C)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NFUBQBPIJGYWAB-UHFFFAOYSA-N
-rxn:5:194791:227740:229206,CCc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(C)nc(C(F)(F)F)c5)C(=O)C34)cc2)cs1,HBOGMQLLBCKMJG-UHFFFAOYSA-N
-rxn:5:194792:227051:222956,CCC(=O)c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C)cc6C6CCCNC6)cc5)C(=O)C34)cc2)c(C)c1,KBRSONXICINRIJ-UHFFFAOYSA-N
-rxn:5:194792:228554:228890,CCOc1ccccc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(F)c(C#N)c5)cc4)C(=O)C23)cc1,MXKLLJRGMPXIDB-UHFFFAOYSA-N
-rxn:5:194792:228821:227379,Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccnc6N6CCCC6)cc5)C(=O)C34)cc2)c(F)c1F,XJYDHAIZUKREDB-UHFFFAOYSA-N
-rxn:5:196198:226068:225927,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(N2C(=O)C=CC2=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,WRKJVIILWHTTSF-UHFFFAOYSA-N
-rxn:5:196198:226664:225986,O=C1C=CC(=O)N1c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,PPGPTMHOTAPGJJ-UHFFFAOYSA-N
-rxn:5:196408:225931:223065,Cc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C2=NOCCO2)cc(S(=O)(=O)N(C)C)c1,KKAFJQUFXFHANT-UHFFFAOYSA-N
-rxn:5:196618:225931:223061,Cc1cc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(N3CCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,LNQFMZPZEDXXOK-UHFFFAOYSA-N
-rxn:5:196619:225833:223105,CNS(=O)(=O)c1cc(-c2cc(N3CCCC3=O)ccc2-c2ccnc(N3CCCCC3)c2F)c(F)cc1C,DZFWVISEOFKUJU-UHFFFAOYSA-N
-rxn:5:196790:226431:225870,O=C1COCCN1c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(N2CCCC2)c(F)c1,HATHUSKNUWWUOP-UHFFFAOYSA-N
-rxn:5:196792:225849:223173,O=C1COCCN1c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)ccc1-c1cnc(N2CCCCC2)cc1F,FCGQRMLESHGHKP-UHFFFAOYSA-N
-rxn:5:196792:226047:223143,O=C1COCCN1c1cc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1ccc(OC(F)(F)F)c(F)c1F,DUAFVQSODZGLLU-UHFFFAOYSA-N
-rxn:5:196859:223007:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cc(F)cc(C2CCNCC2)c1,ORLFYHGRJWJPSF-UHFFFAOYSA-N
-rxn:5:196859:226686:223063,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cc(F)nc(C2CCNCC2)c1,BTHFSJKNFBFWEQ-UHFFFAOYSA-N
-rxn:5:196859:226686:225672,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cc(F)nc(C2CCCCC2)c1,IYKLRVYETNAUNJ-UHFFFAOYSA-N
-rxn:5:196873:225982:223064,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,ULRNQKNGQTVXBF-UHFFFAOYSA-N
-rxn:5:196916:225849:223189,CS(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)c(F)c1,YYIYNNMWRGXILK-UHFFFAOYSA-N
-rxn:5:196917:225834:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,JJMYXMUQIPDXCH-UHFFFAOYSA-N
-rxn:5:196917:225926:223006,CC1(C)COC(c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,GUTFTSTYAQQHDK-UHFFFAOYSA-N
-rxn:5:196917:225985:223065,CC1(C)COC(c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QMLMUFJBQFJKJU-UHFFFAOYSA-N
-rxn:5:196917:225985:225833,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,VRMVCGDFMRCRIJ-UHFFFAOYSA-N
-rxn:5:196917:225986:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,DBFJMCMPWPWFOV-UHFFFAOYSA-N
-rxn:5:196917:226679:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cnc(N3CCCC3)cc2F)=N1,VJWPAURFCPOBBH-UHFFFAOYSA-N
-rxn:5:196918:225849:223189,CS(=O)(=O)Nc1ccc(-c2c(-c3cnc(N4CCCCC4)cc3F)cccc2N2CCCCC2=O)c(F)c1,DDZPCHUYMKSFSG-UHFFFAOYSA-N
-rxn:5:196919:223065:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,OXFKDIMIHQGITJ-UHFFFAOYSA-N
-rxn:5:196919:225834:225985,CC1(C)COC(c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QTTHDIZCUKWLHJ-UHFFFAOYSA-N
-rxn:5:196919:225868:223173,CC1(C)COC(c2ccc(-c3ccc(N4CCOCC4)c(F)c3)cc2-c2ccc3c(c2)C(O)CS3(=O)=O)=N1,VUSRXWWEAWCYEX-UHFFFAOYSA-N
-rxn:5:196919:225870:223173,CC1(C)COC(c2ccc(-c3cc(F)cc(N4CCOCC4)c3)cc2-c2ccc3c(c2)C(O)CS3(=O)=O)=N1,GEXFNPHQIBVIJK-UHFFFAOYSA-N
-rxn:5:196919:225926:223006,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccc(F)c(C3CCNCC3)c2)=N1,OFZPGTMFMOXCJX-UHFFFAOYSA-N
-rxn:5:196919:225985:223065,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCNCC3)cc2F)=N1,TWYCXZJTWACSLP-UHFFFAOYSA-N
-rxn:5:196919:225987:226679,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCC3)cc2F)=N1,CSJZCXFCPFNLJL-UHFFFAOYSA-N
-rxn:5:196919:226658:225986,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,ZRZHRCIOXSHIFK-UHFFFAOYSA-N
-rxn:5:196922:225833:223173,O=C1CCCCN1c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc(-c2ccnc(N3CCCCC3)c2F)c1,WQPRCHZUOLJHTL-UHFFFAOYSA-N
-rxn:5:196922:226847:225636,CSc1ncc(C(F)(F)F)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(N2CCCCC2=O)c1,NNOCJYKZIISQRI-UHFFFAOYSA-N
-rxn:5:196923:223065:223173,O=C1CCCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,SQIPUQOGEBSKAF-UHFFFAOYSA-N
-rxn:5:196923:225833:223173,O=C1CCCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,AZKYUUCOOHPLSG-UHFFFAOYSA-N
-rxn:5:196923:225849:223173,O=C1CCCCN1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,DHVLMRZCHIKOCK-UHFFFAOYSA-N
-rxn:5:196969:225931:223065,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(N3CCNCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,BRBFTDAPKGDDLE-UHFFFAOYSA-N
-rxn:5:196970:225576:225987,N#Cc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(N3CCCS3(=O)=O)cc2)ccc1N1CCCC1,HWANRFYDRWNGGE-UHFFFAOYSA-N
-rxn:5:196970:225931:223065,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(N3CCNCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,YYQQRKQYHYPRPY-UHFFFAOYSA-N
-rxn:5:196970:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cnc(C2CCCCC2)nc1,FWIOCEVHRJUMHR-UHFFFAOYSA-N
-rxn:5:196971:226686:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)cnn2C2CCCCO2)c(C2CCCCC2)cn1,VIFUNWKTXXJWCK-UHFFFAOYSA-N
-rxn:5:196977:225849:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(N3CCCCC3)ccc2-c2cnc(N3CCCCC3)cc2F)cc1C,MACQWCITAUQGCH-UHFFFAOYSA-N
-rxn:5:196977:225849:223105,CNS(=O)(=O)c1cc(-c2cc(N3CCCCC3)ccc2-c2cnc(N3CCCCC3)cc2F)c(F)cc1C,VKAYBHAJCWHQHJ-UHFFFAOYSA-N
-rxn:5:196977:225931:223062,Cc1cc(-c2ccc(N3CCCCC3)cc2-c2cnc(C3CCNCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,IJAMXBSVECXSBS-UHFFFAOYSA-N
-rxn:5:196977:225985:225639,CC1CCN(c2ncccc2-c2cc(N3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,JWJJZLDCYWEOEZ-UHFFFAOYSA-N
-rxn:5:196978:225930:223062,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)c1,MJSJMZRVVZCWLY-UHFFFAOYSA-N
-rxn:5:196979:225655:225985,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)c2)CC1,CDSGUWBGQLDFPZ-UHFFFAOYSA-N
-rxn:5:197169:225986:225655,CC1CCN(c2cncc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)c2)CC1,BVGFHPIBFLPVCA-UHFFFAOYSA-N
-rxn:5:197876:225499:228583,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,PUNYHGVFTYLUJG-UHFFFAOYSA-N
-rxn:5:197876:225591:228583,CC(C)c1cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,LPOGGUNPTZCOOL-UHFFFAOYSA-N
-rxn:5:197876:225879:228592,CC(C)c1cncc(-c2cc3c(cc2-c2ccc(N4CCOCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DMTRKQQFPWJFCD-UHFFFAOYSA-N
-rxn:5:197876:226366:227840,Cc1cccc(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1C1CC1,HOHWWTVWNSXHTF-UHFFFAOYSA-N
-rxn:5:197876:227124:225438,CC(c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,DFHUSJBINAPXNW-UHFFFAOYSA-N
-rxn:5:197876:228713:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccn(C(C)(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2=O,HKPRPQLCNFNGES-UHFFFAOYSA-N
-rxn:5:197876:228802:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ATIQQJCPDSRYIT-UHFFFAOYSA-N
-rxn:5:225639:196977:225985,CC1CCN(c2ncccc2-c2ccc(N3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,GKRDLBVYPXKVJQ-UHFFFAOYSA-N
-rxn:5:225666:193869:229057,Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,CQHUBVDPFOCAAB-UHFFFAOYSA-N
-rxn:5:225833:193870:227959,Cc1cnc(C2CC2)c(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)c1,IWZHLKVRIPSFBI-UHFFFAOYSA-N
-rxn:5:225833:193972:228976,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C=C2,SFWPESPFDMKFMT-UHFFFAOYSA-N
-rxn:5:225833:193972:229060,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,LIELBQWPRZHDKB-UHFFFAOYSA-N
-rxn:5:225833:196919:225985,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,IWZDNKXMGSDEFG-UHFFFAOYSA-N
-rxn:5:225985:196917:225833,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,VRMVCGDFMRCRIJ-UHFFFAOYSA-N
-rxn:5:225986:196919:225834,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cc(N3CCCCC3)ncc2F)=N1,NTRBRKVTONQBFM-UHFFFAOYSA-N
-rxn:5:226420:193870:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccc(F)c(N2CCCC2)c1,SUJRNKDJBMTJOI-UHFFFAOYSA-N
-rxn:5:226422:193972:229057,Cc1cc(-c2cc(F)ccc2N2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CC2)c1,YQRPOXKBLASPTC-UHFFFAOYSA-N
-rxn:5:226658:193870:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccc(N2CCCC2)nc1F,YSQLVUABXJHPDG-UHFFFAOYSA-N
-rxn:5:226658:196198:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)nc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,LWRJHMKYZQRBPK-UHFFFAOYSA-N
-rxn:5:226664:193870:227959,Cc1cnc(C2CC2)c(-c2cc(-c3cc(N4CCCC4)ncc3F)c(C)cc2S(=O)(=O)N2CCCCC2)c1,ATKSVKNTVQKGIM-UHFFFAOYSA-N
-rxn:5:226679:193870:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1cnc(N2CCCC2)cc1F,JIAGZPCYXVWNDN-UHFFFAOYSA-N
-rxn:5:227900:178295:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2ccccc2C(C)C#N)CCC(=O)CC1,PHWFPKTUEUPHPX-UHFFFAOYSA-N
-rxn:5:227901:178295:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(CC(C)C)nc2)CCC(=O)CC1,WNXQUVPIXDOBJG-UHFFFAOYSA-N
-rxn:5:227906:178295:226190,CCC(C)c1ncccc1-c1ccc(-c2ccc(C3CCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,BXGUYWCSHBXQGL-UHFFFAOYSA-N
-rxn:5:227906:178295:226334,CCC(C)c1ncccc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,IBYBUSQJHZVANF-UHFFFAOYSA-N
-rxn:5:227909:178295:226067,CCC(C)c1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,OIMIVBVZDRXNOG-UHFFFAOYSA-N
-rxn:5:227909:178295:226150,CCC(C)c1cc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,CBOXGMXRCLENQU-UHFFFAOYSA-N
-rxn:5:227922:178295:227319,CCc1cc(OC)ccc1-c1ccc(-c2cc(CC(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MMRWJHSKSAPYFF-UHFFFAOYSA-N
-rxn:5:227926:178295:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(SC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,XMSYLPGFHQGOGK-UHFFFAOYSA-N
-rxn:5:227932:178295:227117,COCc1ccc(C)c(-c2ccc(-c3cc(C4CC4)cc(C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QVAOOCUWHAKWSJ-UHFFFAOYSA-N
-rxn:5:227935:178295:227103,CCc1cc(-c2ccc(-c3sccc3C3CCCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,NCKOQKCVKZZSJL-UHFFFAOYSA-N
-rxn:5:227939:178295:227302,COC(=O)C1(c2cc(-c3cnc(OC(C)C)c(C)c3)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,UFRRKHQDLAXXCA-UHFFFAOYSA-N
-rxn:5:227939:178295:227569,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3OC)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,PCJXHLHOQJINTK-UHFFFAOYSA-N
-rxn:5:227940:178295:226913,CCc1cc(SC)cc(-c2ccc(-c3cc(CC)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LRWWMBDFHIVECA-UHFFFAOYSA-N
-rxn:5:227942:178295:226579,CCc1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,KWGRQBXPYLHDOO-UHFFFAOYSA-N
-rxn:5:227965:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2c(C)ccnc2C(C)C)CCC(=O)CC1,NYDHKOXJXLNUSR-UHFFFAOYSA-N
-rxn:5:227979:178295:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,IXANTWMRCVAWBC-UHFFFAOYSA-N
-rxn:5:228000:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,FGWSMGWDNYNBRT-UHFFFAOYSA-N
-rxn:5:228064:193869:226420,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(F)c(N2CCCC2)c1,QOPYFAURINAWHE-UHFFFAOYSA-N
-rxn:5:228064:193869:226431,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)c(F)c1,VDDQEHSGTZMBRP-UHFFFAOYSA-N
-rxn:5:228584:193870:225666,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCCC3)c2)cc1-c1ccnc(C2CC2)c1,RIGMCFBVQDRHHP-UHFFFAOYSA-N
-rxn:5:228588:193972:226414,CC#Cc1cc(-c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2S(=O)(=O)N2CCCCCC2)ccn1,FYAUOLRLRHZFGG-UHFFFAOYSA-N
-rxn:5:228715:193869:225833,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,UYVYDAVTWIBGDO-UHFFFAOYSA-N
-rxn:5:228883:193972:226177,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCCCC2)c1,DREMEGYPBHDECG-UHFFFAOYSA-N
-rxn:5:228888:193869:225638,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,CZWATPBIZDSRKQ-UHFFFAOYSA-N
-rxn:5:228888:193869:225655,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,FMJQYFMOMDIAMI-UHFFFAOYSA-N
-rxn:5:228985:193972:225849,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,WKCOPEQJVRTUPB-UHFFFAOYSA-N
-rxn:5:229107:193972:225655,Cc1cc(-c2c(C)cncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,ILSPUGVXNQZUJV-UHFFFAOYSA-N
-rxn:4:173338:222782,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cnc(NC(=O)OC(C)(C)C)c(C)c2)cc1,UAHRQTGZGCXHNM-UHFFFAOYSA-N
-rxn:4:173413:223888,CCOC(=O)C(Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1)C(C)=O,GWHGYZCSQHSZEY-UHFFFAOYSA-N
-rxn:4:173421:223994,COCCCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1C(C)(F)F,MJJCXNKXKJNSPN-UHFFFAOYSA-N
-rxn:4:173445:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2OCC(F)F)cc1,QNWPXJNOSFNELS-UHFFFAOYSA-N
-rxn:4:173580:222684,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)cc1,PGTGJPMIOLTJLO-UHFFFAOYSA-N
-rxn:4:173581:223776,COC(=O)c1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)cc1,QBIWIZTXCSMITB-UHFFFAOYSA-N
-rxn:4:173596:222636,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,WMBDJAPLUMKYGM-XMMPIXPASA-N
-rxn:4:173611:225269,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(=O)OC)cc3C(=O)OC)cc1)C2=O,IXRDIDKWPDLAAC-UHFFFAOYSA-N
-rxn:4:173622:224351,CCOC(=O)c1c(C)oc2cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c(OC(=O)c3ccccc3F)cc12,XJLGIHVCZFORFD-UHFFFAOYSA-N
-rxn:4:173636:222972,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccccc3NC(=O)C(C)(C)C)ccc1OC)C2=O,HMWWWUREFFWDEM-UHFFFAOYSA-N
-rxn:4:173684:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C=C4Oc5cc(OCC(=O)OC(C)(C)C)ccc5C4=O)cc3)ccc2F)CC1,PHVMNHIBTYRUJJ-UHFFFAOYSA-N
-rxn:4:173723:222514,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCCC1,KGWFBPYKHGTWJX-UHFFFAOYSA-N
-rxn:4:173723:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,ICNWUZOVQCEPKA-UHFFFAOYSA-N
-rxn:4:173723:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,HNEGBIZOGVSMMN-UHFFFAOYSA-N
-rxn:4:173723:224462,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,JUTOLHCUCMYEAF-UHFFFAOYSA-N
-rxn:4:173723:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1)C(C)C,ZISISUQETOUZGQ-UHFFFAOYSA-N
-rxn:4:173723:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccn1,KTJMVLZHMQRUDL-UHFFFAOYSA-N
-rxn:4:173802:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,FQWLWDIDIKLNCU-UHFFFAOYSA-N
-rxn:4:173802:223032,CCCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,JLOPKLREVOMMDM-UHFFFAOYSA-N
-rxn:4:173802:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cs1,NMIPHCHYZZIZTG-UHFFFAOYSA-N
-rxn:4:173802:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,NEOSJRGOHXGFRS-UHFFFAOYSA-N
-rxn:4:173802:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,RNPINYBLWZGKEG-UHFFFAOYSA-N
-rxn:4:173802:224008,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1)N1CCOCC1,OUVUYVLXKPXVEW-UHFFFAOYSA-N
-rxn:4:173802:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc21,XEVWRRBUMLHOKT-UHFFFAOYSA-N
-rxn:4:173802:224286,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,ZOQNFPAHPKXFBJ-UHFFFAOYSA-N
-rxn:4:173802:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GQUGNOHABOCKCE-UHFFFAOYSA-N
-rxn:4:173802:224868,O=S(=O)(OC(c1ccc(-c2cccc(OCC3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,HEPYBAFIGZKNPZ-UHFFFAOYSA-N
-rxn:4:173802:224933,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,BDISOIXMUJKYEU-UHFFFAOYSA-N
-rxn:4:173802:224941,O=S(=O)(OC(c1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,JXEJUQLGJZEUDZ-UHFFFAOYSA-N
-rxn:4:173802:225000,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,CJRCVTLMVJILFI-UHFFFAOYSA-N
-rxn:4:173802:225155,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCOCC1,MQLXNRHWDDMTQG-UHFFFAOYSA-N
-rxn:4:173802:225172,O=S(=O)(OC(c1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1)C(F)(F)F)C(F)(F)F,HIVPGQRFKBZLAN-UHFFFAOYSA-N
-rxn:4:173802:225369,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c([N+](=O)[O-])c1,OARIJWPXFCISTL-UHFFFAOYSA-N
-rxn:4:173802:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,PNKGEKVDYDYRQU-UHFFFAOYSA-N
-rxn:4:173802:225519,CCOC(=O)CCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,ZLADJBDSNUTISC-UHFFFAOYSA-N
-rxn:4:173802:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,KYEQBCAVAUEFAX-UHFFFAOYSA-N
-rxn:4:173802:225732,CCOC(=O)Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,CRSXQUHSXICJEV-UHFFFAOYSA-N
-rxn:4:173808:226232,CN(C)CCOc1cccc(-c2cccc(C(F)(F)F)c2OC(C(F)(F)F)C(F)(F)F)c1,ADIKWPKWPOGOJI-UHFFFAOYSA-N
-rxn:4:174008:224393,CCOC(=O)C(F)(F)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1,LVIZLPCFYPMSHL-UHFFFAOYSA-N
-rxn:4:174100:224059,COC(=O)C(C)(C(=O)OC)c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1,PFGZEQIDLBQKDW-UHFFFAOYSA-N
-rxn:4:174306:222545,CCOC(=O)CC1CC(c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2)C1,URZHNBUKWSSSOR-UHFFFAOYSA-N
-rxn:4:174403:224291,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2ccc(OCCN3CCOCC3)c(F)c2)c1,ZTWSFXPBKVSUNQ-UHFFFAOYSA-N
-rxn:4:174406:224864,COC(=O)C1(c2ccc(-c3ccc(CN(C(C)C)C(C)C)cc3)cc2)CC(OC)(OC)C1,YHDJHPLOSYEHKI-UHFFFAOYSA-N
-rxn:4:174406:224865,COC(=O)C1(c2ccc(-c3ccc(CCN4CCCCC4)cc3)cc2)CC(OC)(OC)C1,IARCZYXXKMBHDR-UHFFFAOYSA-N
-rxn:4:174437:223844,CC(C)(C)OC(=O)C1(Cc2ccc(F)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)CC1,VGNOTROFGPZNPB-UHFFFAOYSA-N
-rxn:4:174444:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cc(C(=O)OC)cc(F)c2OCC2CCCCC2)c1,WXSIUOBRYJUDOY-UHFFFAOYSA-N
-rxn:4:174514:224420,Cc1cc2c(cc1-c1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1)C(C)(C)CCC2(C)C,DSUGRMGJHUPZLD-UHFFFAOYSA-N
-rxn:4:174528:224961,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1,PJZUBPHMZXPAOG-UHFFFAOYSA-N
-rxn:4:174604:225123,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccncc1OCC1CCCCO1)C2=O,LZRPMHJHEYTIRF-UHFFFAOYSA-N
-rxn:4:174635:222545,COc1ccc(C2=C(Sc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3)c3ccc(OC)cc3S2=O)cc1,JFIGKUWBUMDPBZ-UHFFFAOYSA-N
-rxn:4:174963:223507,CCCCOc1cc(Cl)cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SJEMNOABQBLHGU-UHFFFAOYSA-N
-rxn:4:175337:222439,CC(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1OCC1CC1,VQOZGBWDUVDKAO-UHFFFAOYSA-N
-rxn:4:175341:223928,COC(=O)C(c1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1F)C1CC1,BXODVRZVETWHSC-UHFFFAOYSA-N
-rxn:4:175520:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CC(=O)OC(C)(C)C)cc2F)CC1,RJIWBAQYEDIZSI-UHFFFAOYSA-N
-rxn:4:175703:223567,COC(=O)CC1CC(c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)C1,RASMSFBXSCCAEE-UHFFFAOYSA-N
-rxn:4:175926:223753,COc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1,BDWJZEQHKZZWQP-UHFFFAOYSA-N
-rxn:4:176117:223482,CC(=O)c1cccc(OS(=O)(=O)c2cc(C)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C)c1,DFPDXULKFJVFIS-UHFFFAOYSA-N
-rxn:4:176292:224975,CCN1CCN(c2ccc(-c3ccccc3C=C3Oc4cc(OCc5c(F)c(F)c(F)c(F)c5F)ccc4C3=O)cc2)CC1,FKJGPFKOMGVACZ-UHFFFAOYSA-N
-rxn:4:176321:223753,Cc1ccc(-c2cccc(C(=O)Oc3cc4c5c(oc4cc3C(C)(C)C)CCCC5)c2)cc1OCCCN1CCN(C)CC1,QGDKNGTTZOOBKL-UHFFFAOYSA-N
-rxn:4:176512:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(OC(F)=CC(F)(F)F)cc1)N1CCC(O)CC1,UUMLLHBXCYNZHN-UHFFFAOYSA-N
-rxn:4:177109:223559,COC(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)c1,ZOLVHRMIWVLXMO-UHFFFAOYSA-N
-rxn:4:177742:223810,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)c(F)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,FNWZPZMSQBHXTE-UHFFFAOYSA-N
-rxn:4:177835:223559,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)CCC1,GPUABNPLDPZHOJ-UHFFFAOYSA-N
-rxn:4:178023:223959,CCN1CCN(C(=O)c2cc(-c3ccc(OC)c(C4OCCO4)c3OC)ccc2Cl)CC1,YAAUDYCFMUPDLP-UHFFFAOYSA-N
-rxn:4:178384:227312,CCC(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)n1,RPPSQROPZGOLCN-UHFFFAOYSA-N
-rxn:4:178384:229037,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,YBJIAQGGZLIHTB-UHFFFAOYSA-N
-rxn:4:178384:229047,Cc1sc(C)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C,VGVHNYOWFYZAEI-UHFFFAOYSA-N
-rxn:4:178567:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c(=O)c(C)c(-c3ccccc3)oc12,HPPVDUMENCTGLV-UHFFFAOYSA-N
-rxn:4:178588:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,JLGLHRSBAKQFMX-UHFFFAOYSA-N
-rxn:4:178594:222466,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,ZYMFZHVMFRRLIW-UHFFFAOYSA-N
-rxn:4:178597:225641,CC1CCCN(c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccn2)C1,KRAYHDURDPXXRU-UHFFFAOYSA-N
-rxn:4:178597:227999,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)c1,LKVKXBLGKOWSMP-UHFFFAOYSA-N
-rxn:4:178606:223497,CC(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,BQILTGQVDZZMII-UHFFFAOYSA-N
-rxn:4:178695:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC(F)(F)F)c(Cl)c3F)cc(F)c2F)CC1,LOTGJLSQOKKLMY-UHFFFAOYSA-N
-rxn:4:180046:222698,CC1(c2cc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cc(C(F)(F)F)c2)CC1(F)F,IPHHEQSCCSKJOG-UHFFFAOYSA-N
-rxn:4:180453:222389,Cc1cc(OC2CCCCC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,HFEBQVVPJWJMFZ-UHFFFAOYSA-N
-rxn:4:180492:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2)CC1,KWLGFAUAGZNNTH-UHFFFAOYSA-N
-rxn:4:180792:224669,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCN(C)CC4)cc3F)cc1C2=O,DDWWYNNDXMXFEH-UHFFFAOYSA-N
-rxn:4:180815:222743,COc1ccc(-c2ccc(C(C)N3CCC(O)CC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,KTXHEISRVLGHAY-UHFFFAOYSA-N
-rxn:4:182109:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)c1,PUKWHHRFVZKSCZ-UHFFFAOYSA-N
-rxn:4:183269:223562,Cc1cc2c(cc1-c1ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)(C)C=CC2(C)C,GSMDUBONFPSQQR-UHFFFAOYSA-N
-rxn:4:183271:223712,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1C12CC3CC(CC(C3)C1)C2,JUXLZTUFOFMXAS-UHFFFAOYSA-N
-rxn:4:183273:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3)cccc12,YPXUFVIZCPAWII-UHFFFAOYSA-N
-rxn:4:183273:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KUPXCNQBHCGJRM-UHFFFAOYSA-N
-rxn:4:183273:228425,COc1c(Cl)cc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JEZYFMIPAIHZPP-UHFFFAOYSA-N
-rxn:4:183274:223323,Cc1cc2cn[nH]c2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,CTBGCEXGDGLREO-UHFFFAOYSA-N
-rxn:4:183379:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1,LEKHKIPFKTWVMC-UHFFFAOYSA-N
-rxn:4:183535:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C#N)c(CC(=O)OCC)c(C(F)(F)F)c3)cc2)CC1,JUHBDDPJNTUEJR-MXVIHJGJSA-N
-rxn:4:183635:224817,CCN(CC)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1OC(F)(F)F,JBZYCGLGHZFXTC-UHFFFAOYSA-N
-rxn:4:183667:224653,COC(=O)C(Oc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1OCC1CCCCO1)C(C)C,UWGIYDCHFIGXHC-UHFFFAOYSA-N
-rxn:4:183693:225329,COC(=O)C1CN(Cc2cc(-c3ccc(OCC(F)(F)F)c(C#N)c3)ccc2OC(F)(F)F)C1,YTHIZAZQHHNRPN-UHFFFAOYSA-N
-rxn:4:183695:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)CC1,LXRQYMUHDLGABB-UHFFFAOYSA-N
-rxn:4:183726:225733,CCCCOc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCCC)c2)c(F)cc1F,XXELQQMDFKBKRL-UHFFFAOYSA-N
-rxn:4:183765:225337,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc(F)cc(COCC(F)(F)F)c2)C1,YQFHQDQCKUMSRL-UHFFFAOYSA-N
-rxn:4:183808:226566,COC(=O)c1ccc(OC)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)CC1,QIUOVGNMYWSITQ-UHFFFAOYSA-N
-rxn:4:183913:223279,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1,NCYNTCHPPCGSPY-UHFFFAOYSA-N
-rxn:4:183966:223904,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)C1,HNBRWWMEVMOKSK-UHFFFAOYSA-N
-rxn:4:183969:223141,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)c(OC)c2)CC1,HFPJDHMWWOPYFB-UHFFFAOYSA-N
-rxn:4:183983:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)c(C)c1,NAVRSOGMJKGTLY-UHFFFAOYSA-N
-rxn:4:184001:223975,COC(=O)C1(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,UWURILLPXSCOKN-UHFFFAOYSA-N
-rxn:4:184005:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N(c4ccc(OC)cc4OC)C4C=CS(=O)(=O)C4)cc3)c(F)c2)CC1,KOQFBLWJYQLMHT-UHFFFAOYSA-N
-rxn:4:184012:223187,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cccc(S(=O)(=O)NOC)c1,KDYFWAJPQBNMSV-UHFFFAOYSA-N
-rxn:4:184017:223858,COc1cc2c(cc1-c1ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc1)-c1ccccc1C2(C)C,NWZQEQGUUQLXCX-UHFFFAOYSA-N
-rxn:4:184023:223934,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)CC1,NYBRJRSUDHWPKO-UHFFFAOYSA-N
-rxn:4:184044:222693,COc1ccc(C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)C2CCS(=O)(=O)C2)cc1,LUOLYLZBAKBCDI-UHFFFAOYSA-N
-rxn:4:184072:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,BZLAMIDFBFDCSB-UHFFFAOYSA-N
-rxn:4:184073:223055,Cc1nc(N2CCNCC2)ccc1-c1cccc(S(=O)(=O)CC2CCCN(C(=O)OC(C)(C)C)C2)c1,SIRWRKKDDPEAOX-UHFFFAOYSA-N
-rxn:4:184073:223239,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3cncc(C4CCCN4)c3)c2)C1,HGSLZKHSXAZRLI-UHFFFAOYSA-N
-rxn:4:184073:224296,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)C1,BJXJKCQMRCZFDG-UHFFFAOYSA-N
-rxn:4:184076:224766,O=C(CCc1ccccc1-c1cc(N2CCCC2)cc(C(F)(F)F)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1,MLKNFWFTIPNICW-UHFFFAOYSA-N
-rxn:4:184099:225860,Cc1nccn1-c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(Cl)c1,ZUPJCSLYPBGDKR-UHFFFAOYSA-N
-rxn:4:184125:225220,CC1CCCCN1c1ncc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)cc1Cl,JQNLSUGGVYLCPJ-UHFFFAOYSA-N
-rxn:4:184140:224397,COC(=O)c1c(C)oc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc12,WCHMFNCWWXCBLC-UHFFFAOYSA-N
-rxn:4:184158:225743,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(CC(=O)OC)ccc3OC)cc1)C2=O,WOBDKESUHUQTIF-UHFFFAOYSA-N
-rxn:4:184183:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1C2CCC1CC(SC)C2,RDXNPFQMNSBAJG-UHFFFAOYSA-N
-rxn:4:184188:224612,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)c2ccccc12)C1CCC1,GDCMAPCKKVASBS-UHFFFAOYSA-N
-rxn:4:184222:227371,COc1c(C)ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1OC,APLDOBWITIUTTR-UHFFFAOYSA-N
-rxn:4:184275:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(C#N)c1OC(C(F)(F)F)C(F)(F)F,LNFRYNRVYDTBLD-UHFFFAOYSA-N
-rxn:4:184465:223785,CCN1CCN(CCOc2ccc(-c3cc(CC(=O)OC)c(C#N)cc3C(F)(F)F)cc2Cl)CC1,MLYVTRNLJPLIFJ-UHFFFAOYSA-N
-rxn:4:184470:222396,CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,AORULUALJOLJLK-UHFFFAOYSA-N
-rxn:4:184477:224682,CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)c(Cl)c1,IPMZBLOSMPHQQY-UHFFFAOYSA-N
-rxn:4:184499:224619,CCOC(=O)c1c(-c2ccc(OCCN3CCCC3)c(F)c2)ccc(C#N)c1C(F)(F)F,AIOKMUDHZUIWEG-UHFFFAOYSA-N
-rxn:4:184682:222721,COC(=O)c1cc(C(=O)N(C)OC)cc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)c1,BNFXAUXJTDCRAI-UHFFFAOYSA-N
-rxn:4:184685:224756,CN(C)C(=O)Cc1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1OC(F)(F)F,ICQXKRSSSMTQER-UHFFFAOYSA-N
-rxn:4:184735:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(C(=O)N4CC(OCC(F)(F)F)C4)c3)cc2C1,XQPIOPSCBUXGMG-UHFFFAOYSA-N
-rxn:4:184774:224763,O=C(CCc1cccc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c1)ON1C(=O)CCC1=O,MIVVFAUSUDKBQB-UHFFFAOYSA-N
-rxn:4:184775:222948,O=C(CCc1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1)ON1C(=O)CCC1=O,VZGSDWDFGRCUHL-UHFFFAOYSA-N
-rxn:4:184865:223895,CCN1CCN(CCOc2ccc(-c3cc(C(C#N)O[Si](C)(C)C)ccc3OC)cc2)CC1,SKORFXXTXPQTGS-UHFFFAOYSA-N
-rxn:4:184867:224160,CCCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,IMMHJHGPYIGHBO-UHFFFAOYSA-N
-rxn:4:184871:222628,CCSc1ncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1C(=O)OC(C)(C)C,YHSCSXTUIAXQKL-UHFFFAOYSA-N
-rxn:4:184904:222432,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(OCCCN3CCCC3)c(F)c2)c2ccccc12,CENSBJJBERZIOP-UHFFFAOYSA-N
-rxn:4:184938:224398,Cc1cc(F)c(-c2cccc(OCCCN3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1,ZEJRWLUKNRFHLR-UHFFFAOYSA-N
-rxn:4:185004:225548,CCOC(=O)c1ccc(CC)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCCC1,OQIKYFJTIFUWLI-UHFFFAOYSA-N
-rxn:4:185004:226514,CCc1cnc(C(=O)OC)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCCC1,MULOOIMQJNBZTJ-UHFFFAOYSA-N
-rxn:4:185004:226844,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,NDHMBQPXEGVLFN-UHFFFAOYSA-N
-rxn:4:185013:223696,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,QCLRMFODTPHKMR-UHFFFAOYSA-N
-rxn:4:185056:222885,O=C(NC1CCOC1)c1ccc(-c2cccc(F)c2OCCCN2CCC(F)(F)CC2)cc1,DQWDQSXPICQXQI-UHFFFAOYSA-N
-rxn:4:185079:224609,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnccc2C(=O)N(C(C)C)C(C)C)cc1,PTDYPENZRRIXHH-UHFFFAOYSA-N
-rxn:4:185116:225549,CCCCC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,MNAVDAFEQAAYNG-UHFFFAOYSA-N
-rxn:4:185122:225204,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4cc(C(F)(F)F)cc(C5CC5)c4C)cc3)o2)SC1=S,DFQXMJOFBVNYKS-UHFFFAOYSA-N
-rxn:4:185126:222684,CC(C)(C)[Si](C)(C)OCc1c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cccc1[N+](=O)[O-],LWVHABJEDBFNGM-UHFFFAOYSA-N
-rxn:4:185135:224101,COC(=O)C1CCN(CCc2cc(-c3cccc(OCCN4CCC(C)CC4)c3)ccc2Cl)CC1,LHERVZNQEUNUAF-UHFFFAOYSA-N
-rxn:4:185140:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CCN4CCCC(C(=O)OC)C4)ccc3F)cc2)CC1,RGOXSJQGTCDAHC-WHJHLYOLSA-N
-rxn:4:185158:223279,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,BBHNCPBHGOYCTB-UHFFFAOYSA-N
-rxn:4:185167:224155,CN1CCN(c2cc(-c3ccc(CN(C(=O)c4ccccc4)C4CCS(=O)(=O)C4)o3)cc(C3CC3)c2)CC1,XNSSHSGICJVAEI-UHFFFAOYSA-N
-rxn:4:185200:225607,COC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(CN2CCC(OC)CC2)c1,RRVUSFPRJGGZST-UHFFFAOYSA-N
-rxn:4:185225:227472,CCCOc1ncc(Cl)cc1-c1cc(OC)c(C(=O)N2CCCC(C(F)(F)F)C2)c(OC)c1,DCMRDQNXIMWZCW-UHFFFAOYSA-N
-rxn:4:185238:223712,CCN(C(=O)Cc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)C1CCCCC1,QABZRNCDHKNZHA-UHFFFAOYSA-N
-rxn:4:185247:222424,COc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,SHYOCWWSDGHVGJ-UHFFFAOYSA-N
-rxn:4:185247:222967,COc1cc(-c2cccc(C(=O)NCC(C)C)c2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,BSDVXGZGGVRKIH-UHFFFAOYSA-N
-rxn:4:185249:224014,COc1cc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)cc(OC)c1CN1CCCCC1C(F)(F)F,VKFHAQULHLKCBV-UHFFFAOYSA-N
-rxn:4:185270:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1,NVLNMIKISOMYDE-UHFFFAOYSA-N
-rxn:4:185347:224934,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cccc(OCCN3CCCC3)c2)cc1OC,NHKRXCCHTUOHFB-UHFFFAOYSA-N
-rxn:4:185350:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,NGMNKWSEAFIXMI-UHFFFAOYSA-N
-rxn:4:185367:226512,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccncc2OCC2CCO2)CC1,PDDFJGJOEILWCO-UHFFFAOYSA-N
-rxn:4:185370:226056,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2c3c(cc4c2CCC4)CCC3)cc1,PTJRNGIJEIKLCQ-UHFFFAOYSA-N
-rxn:4:185375:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCNCC2)n1,FBZROTQOSGJSBP-UHFFFAOYSA-N
-rxn:4:185376:223242,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCNC3)c2)C1,PANNFAHQQJXFMH-UHFFFAOYSA-N
-rxn:4:185393:224621,O=C(c1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1,AOSHTOBRYRDOPR-UHFFFAOYSA-N
-rxn:4:185393:224634,COc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cc2)cc1CN1CCOCC1,LCMDYMWIQHRXBI-UHFFFAOYSA-N
-rxn:4:185403:223831,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,NWRXXQFDOUIFJK-UHFFFAOYSA-N
-rxn:4:185404:223279,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)C1,JPLAPPYVYNCAPD-UHFFFAOYSA-N
-rxn:4:185407:223529,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,GBLGMXKZWFMEPI-UHFFFAOYSA-N
-rxn:4:185410:227364,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)c(OC)c1C,RLOBWHGBDIFZBL-UHFFFAOYSA-N
-rxn:4:185415:225734,CCCCOc1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(Cl)c1F,AZPTVGNJHDEIQN-UHFFFAOYSA-N
-rxn:4:185418:223097,CNC(=O)c1cc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1,DEVUSKXAYVRRKX-UHFFFAOYSA-N
-rxn:4:185418:225723,COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3-c3ccc(OCCN(C)C)c(Cl)c3)CC2)cc1,BMYPKQKLFUXUEC-UHFFFAOYSA-N
-rxn:4:185426:225227,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,APFVODCYPOKKBS-UHFFFAOYSA-N
-rxn:4:185434:223123,COc1cc(-c2ccc(NC(=O)C(C)C)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,XAYMEKWUWYVLEL-UHFFFAOYSA-N
-rxn:4:185442:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2COC2)c1,MOCPCUPGAYZNHV-UHFFFAOYSA-N
-rxn:4:185499:224059,COc1ccc(OCCN2C(=O)C(=O)c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OC)ccc32)cc1,KZZNOLDWSRXWTN-UHFFFAOYSA-N
-rxn:4:185609:222684,COc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)c3ccccc3S2(=O)=O)cc1OC,KZHGJQSFNJVGKK-UHFFFAOYSA-N
-rxn:4:185626:228146,CCc1cncc(-c2cc(F)cc3c2C[C@](c2ccccc2)([C@@H]2CCCN2C(=O)OC(C)(C)C)O3)c1OC,JJAXHMUUIOSQDY-DHIFEGFHSA-N
-rxn:4:185917:223969,COC(=O)c1cc(C#N)c(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c(C(F)(F)F)c1,XLPLWEWJOOHOMF-UHFFFAOYSA-N
-rxn:4:186135:223480,Cc1cc(-c2cc(OC(F)(F)F)c(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HVIKGCUGFJXUIJ-UHFFFAOYSA-N
-rxn:4:186155:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,QWPMLRPEQLSMGT-UHFFFAOYSA-N
-rxn:4:186235:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)c([N+](=O)[O-])c(OCC2CC2)c1,CHUBNQOIQLGPTK-UHFFFAOYSA-N
-rxn:4:186368:224328,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1OC,AKWFSWIJDFJMTO-UHFFFAOYSA-N
-rxn:4:186368:224401,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)cc1OC,OHXUDKNWIMHIKV-UHFFFAOYSA-N
-rxn:4:186439:222439,CCN(CC)C(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1,VREIWVNBAUSVOG-UHFFFAOYSA-N
-rxn:4:186540:226483,COCCOc1nc(C)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)c1,SYRFCJBRCVTUDN-UHFFFAOYSA-N
-rxn:4:186629:223508,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,XDAUIEUATSMPAJ-UHFFFAOYSA-N
-rxn:4:186629:223777,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,DVHFZVUDWOUFEX-UHFFFAOYSA-N
-rxn:4:186629:223903,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccccc1CCC(=O)N1CCC(=O)CC1,RNVWZEZTKPZIOC-UHFFFAOYSA-N
-rxn:4:186629:224009,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,NHTMPHSOTMLRPL-UHFFFAOYSA-N
-rxn:4:186629:224101,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCN2CCC(C)CC2)c1,NPFORZBPRIEIDS-UHFFFAOYSA-N
-rxn:4:186629:224250,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)N2CCCCC2C)ccc1F,HBQFNZJCGWWIHM-UHFFFAOYSA-N
-rxn:4:186687:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(OCC(=O)N4CCCC4)c3)c2)C1,XXGYOTYIVSQLSF-UHFFFAOYSA-N
-rxn:4:186708:222623,CCC(C)c1cc(-c2ccc(Cl)c(OCC(=O)N3CCCC3)c2)cc(C2CCNCC2)n1,RDVRUDADDAHTLY-UHFFFAOYSA-N
-rxn:4:186716:223698,COC(=O)C1CN(Cc2cc(F)cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c2)C1,SKDCKSQHKRABOW-UHFFFAOYSA-N
-rxn:4:186782:222684,O=C(COc1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCOCC1,KBOANDYTOSSTFV-UHFFFAOYSA-N
-rxn:4:186819:224667,CN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCCC4)c(OC(F)(F)F)c3)ccc2Cl)CC1,JRQIDGIGQADNDZ-UHFFFAOYSA-N
-rxn:4:186876:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(F)cc1OCCN1CCOCC1,PFQAGOZWOHRCCV-UHFFFAOYSA-N
-rxn:4:186890:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)CC(=O)N4CCOCC4)cc3)cc2F)CC1,KDMLYQPRZUSNQD-UHFFFAOYSA-N
-rxn:4:186892:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC2)c1,QSUSNSIGGZZTRT-UHFFFAOYSA-N
-rxn:4:186922:226121,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccc1OC(C)C,LWXCVJCDNRJOBT-UHFFFAOYSA-N
-rxn:4:186968:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CCCN1CCC(F)(F)C1,ILHQCIGSGIBMGJ-UHFFFAOYSA-N
-rxn:4:186981:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N(C(=O)CC)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,ZMEDMSUWKOQWKT-BWZATIJHSA-N
-rxn:4:187004:225376,O=C(COc1ccc(-c2cc(F)c(F)c(OCC(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,DBNKQRIDQGCRIH-UHFFFAOYSA-N
-rxn:4:187011:223753,Cc1ccc(-c2ccc(CN3CC[C@H](OS(C)(=O)=O)C3=O)c(F)c2)cc1OCCCN1CCN(C)CC1,CEZGWTSDKQYEIT-VWLOTQADSA-N
-rxn:4:187042:223866,CC(C)N(C(=O)c1cccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1)C(C)C,UIVDRRYUNFXJEX-UHFFFAOYSA-N
-rxn:4:187117:223738,C#Cc1ccc(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)cc1N1CCC(C(=O)OC)CC1,LJGMFSNLCHXSNE-UHFFFAOYSA-N
-rxn:4:187153:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(F)(F)C1,GBKGANDFDYADSI-UHFFFAOYSA-N
-rxn:4:187155:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)CC(=O)N1CCCC(F)(F)C1,SEDNKBOGZGKLOF-UHFFFAOYSA-N
-rxn:4:187184:224425,CCCC1CCC(c2ccccc2-c2cccc(CN3CCC(C(=O)OC)CC3)c2)CC1,FYDGZRVRAJWVDX-UHFFFAOYSA-N
-rxn:4:187200:224737,COC(=O)c1ccc(-c2ccc(OCC(C)C)cc2C(F)(F)F)c(CN2CCCCC2)c1,OHOJGPSRWIXYQU-UHFFFAOYSA-N
-rxn:4:187222:225334,CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2-c2ccc(F)cc2COCC(F)(F)F)C1,RQEUEKUZNRZEKB-UHFFFAOYSA-N
-rxn:4:187230:222432,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)CC1,AJJWBVIHFRBUIL-UHFFFAOYSA-N
-rxn:4:187250:225724,COC(=O)c1ccc(-c2ccc(OCCN(C)C)c(F)c2)c(CN2CCCC(F)(F)C2)c1,JVVABCUQINLGJQ-UHFFFAOYSA-N
-rxn:4:187253:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(CCN2CCC(C(F)(F)F)CC2)ccc1F,XIWVLKMVPUADPR-UHFFFAOYSA-N
-rxn:4:187276:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,IRXGTYWMQCBJMH-UHFFFAOYSA-N
-rxn:4:187395:224198,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(CN5CCN(CC)CC5)cc4F)cc3)SC2=S)cc1,QHZREZUTKYIDNE-UHFFFAOYSA-N
-rxn:4:187403:222538,CCN(Cc1cc(F)cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1)C1CCCCC1,XEGPTTFDYMWECA-UHFFFAOYSA-N
-rxn:4:187419:222905,Cc1cc(-c2cccnc2NC(=O)OC(C)(C)C)ccc1C1CN(C(=O)OC(C)(C)C)C1,JLRGUNPTEGPQML-UHFFFAOYSA-N
-rxn:4:187432:222883,COC(=O)c1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2Cl)c(CN2CCC(C)CC2)c1,DPUPAZPOZZQODK-UHFFFAOYSA-N
-rxn:4:187435:224425,CCCC1CCC(c2ccccc2-c2cc(C)cc(CN3CCC(C(=O)OC)CC3)c2)CC1,WYRVNPJVXWJVIA-UHFFFAOYSA-N
-rxn:4:187463:222684,COc1ccc(N2C(=O)CSC2c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c(OC)c1,IVHWYAPAGTWEDW-UHFFFAOYSA-N
-rxn:4:187505:225876,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(Cl)ccc3N3CCOCC3)cc2Cl)C1,ZOBLNZQKZKDNDA-UHFFFAOYSA-N
-rxn:4:187537:224507,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OCc2ccccc2)n1,WFSPLRAAXNLYAK-UHFFFAOYSA-N
-rxn:4:187585:222699,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)C1,RMTRKRGWFLPYII-UHFFFAOYSA-N
-rxn:4:187598:228091,CCN(CC)c1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)s1,KTOAHUNCYFXOBA-UHFFFAOYSA-N
-rxn:4:187632:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,LTTVCLIEJRMIGA-UHFFFAOYSA-N
-rxn:4:187640:223755,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)CC2)cc(=O)o1,JNFNXWLCQWLUGU-UHFFFAOYSA-N
-rxn:4:187659:226353,COc1cc(C2CC2)cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1Cl,LRBGVYVCPWPJKC-UHFFFAOYSA-N
-rxn:4:187663:222852,Cc1cc(-c2cccc(CN3CCC(O)CC3)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,IAQLZDIHZQNGEO-UHFFFAOYSA-N
-rxn:4:187663:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C)c3)cn2)CC1,UPQAWEACZMPUKX-UHFFFAOYSA-N
-rxn:4:187669:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1,UGFYXGSXMSPJLB-UHFFFAOYSA-N
-rxn:4:187692:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)s1,LBWSPYJDEWHYMG-UHFFFAOYSA-N
-rxn:4:187916:223058,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)nc(C2CCCNC2)c1,PTYHDWSVDUDBIT-UHFFFAOYSA-N
-rxn:4:187944:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)OCCCC5OCCN4CCOCC4)c3)cccc12,JJXBAGVXCXPELI-UHFFFAOYSA-N
-rxn:4:187957:226273,CCN(C)C(=O)c1ccc(-c2cccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)cc1,OZDOIRCJFSQANX-UHFFFAOYSA-N
-rxn:4:187961:224966,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(OCC4CCOCC4)cc3)cc1)CC(C)(C)CC2=O,NRVWVIJHWYHTJW-UHFFFAOYSA-N
-rxn:4:187969:222539,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cccc21,CGMFYRHXDQKGMV-UHFFFAOYSA-N
-rxn:4:187985:224429,CC(C)COc1ccc2cc(-c3ccc(C45CCOCC4N(C(=O)OC(C)(C)C)CC5)cc3)ccc2c1,NMXVODJTAAKUSK-UHFFFAOYSA-N
-rxn:4:188014:226844,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZVRWOCWYIYKXBH-UHFFFAOYSA-N
-rxn:4:188041:223502,C#CCOc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)nc1,NIVUCJXPPAKBSI-UHFFFAOYSA-N
-rxn:4:188101:223482,N#Cc1ccc(OC(F)F)c(F)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,USHCGVXSSWJLLU-UHFFFAOYSA-N
-rxn:4:188155:223608,O=[N+]([O-])c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)(F)F,BHUCWSRSTYJGGZ-UHFFFAOYSA-N
-rxn:4:188286:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(CC#N)cc(C(F)(F)F)c3Cl)c(F)c2)CC1,RQRLPXNCAYXZCF-UHFFFAOYSA-N
-rxn:4:188478:223777,COC(=O)c1ccnc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c1C(F)(F)F,QDYBDWHXHGAONU-UHFFFAOYSA-N
-rxn:4:188572:223562,COC(=O)c1ncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC,AFQZGVMMLHITKJ-UHFFFAOYSA-N
-rxn:4:188932:222524,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,VLBWUQAEZZTWOX-UHFFFAOYSA-N
-rxn:4:189348:222514,COc1ccc(-c2cc(C)cc(C(=O)N(C)OC)c2F)cc1S(=O)(=O)NC1CCCCC1,DCBSFQVJVLDUIJ-UHFFFAOYSA-N
-rxn:4:189424:223840,COc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,AKHATBSLEAYQFZ-UHFFFAOYSA-N
-rxn:4:189507:222699,O=S(=O)(c1cc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1)N1CCC1,ASIGATAAZSYWNN-UHFFFAOYSA-N
-rxn:4:189598:224420,Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,XKLMPUGAHYWPAB-UHFFFAOYSA-N
-rxn:4:189604:222724,Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,DJPHCLBVVHPXNT-UHFFFAOYSA-N
-rxn:4:189731:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCCC4)cc(C(F)(F)F)c3)cc2Cl)CC1,QWCGGBAQCVYQIX-UHFFFAOYSA-N
-rxn:4:189866:224773,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)ccc1S(=O)(=O)N1CCCC1,CZLQKWDFOLNVHU-UHFFFAOYSA-N
-rxn:4:189876:224826,CCOC(=O)c1cc(-c2cc(N3CCC(F)(F)C3)c(F)cc2C(=O)OC)cnc1C(F)(F)F,GWWULCZIWPTLGU-UHFFFAOYSA-N
-rxn:4:189885:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1c(C(F)(F)F)ccc(F)c1C(=O)N1CCOCC1,YYFCKXXCLDNNHH-UHFFFAOYSA-N
-rxn:4:189943:222695,Cc1ccc(-c2ccccc2CS(=O)(=O)N2CCOCC2)cc1S(=O)(=O)NC1CCCC1,QACBHZVRBIMUTJ-UHFFFAOYSA-N
-rxn:4:189984:223889,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc1,REFPQRCNCHRALA-DUCLKSEESA-N
-rxn:4:190019:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)c1,GTHANJNAEJOUDK-UHFFFAOYSA-N
-rxn:4:190019:224617,CN(C(=O)c1cccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c1)C1CCS(=O)(=O)C1,QZFCIDPIBGMWBO-UHFFFAOYSA-N
-rxn:4:190020:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)cc2)c1,YVOYXEAPCFQDTF-UHFFFAOYSA-N
-rxn:4:190053:222624,CC(C)Cc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCCC2)cc(C2CCNCC2)n1,FJQRVTWYHYFQPO-UHFFFAOYSA-N
-rxn:4:190056:224821,O=C(Cc1cc(F)ccc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCCC(F)(F)C1,VLRSVGZEENCXAT-UHFFFAOYSA-N
-rxn:4:190072:223872,CCN(C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)c1)C1CCCCC1,GSJOPWXMQIROHL-UHFFFAOYSA-N
-rxn:4:190072:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C(F)(F)F)c3)c2)CC1,NNIUVHQXQRCGIN-UHFFFAOYSA-N
-rxn:4:190085:225117,CC(C)CCOc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)c(F)cc1F,GQZPGYXZPKTWIU-UHFFFAOYSA-N
-rxn:4:190086:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)c2)c1,RMMHALQBESSOFE-UHFFFAOYSA-N
-rxn:4:190099:223712,COc1ccc(-c2ccc(F)c(CCN3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,ISSZECLMJMTUIU-UHFFFAOYSA-N
-rxn:4:190138:224368,COc1c(F)cc(C(=O)N2CCCCC2)cc1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,NSWFIHRVYJWQTB-UHFFFAOYSA-N
-rxn:4:190166:223844,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c(C(F)(F)F)c1)N1CCCCC1,XKGZEBMRKXBTGP-UHFFFAOYSA-N
-rxn:4:190214:224010,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,AKJYPKIMGGVTGD-UHFFFAOYSA-N
-rxn:4:190228:224009,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCOCC1,NJEUYYPTYYDTEL-UHFFFAOYSA-N
-rxn:4:190228:224394,Cc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCOCC1,IAKAWBTUVQRXII-UHFFFAOYSA-N
-rxn:4:190269:223831,COc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,SANLUBLRMCFGDS-UHFFFAOYSA-N
-rxn:4:190275:223658,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1,VOXLWLTZMPPJFF-UHFFFAOYSA-N
-rxn:4:190317:223974,CC1CCN(c2ccc(-c3cc(CCN4CCCC(C)C4)ccc3F)c(C(F)(F)F)c2)CC1,KCYDCMCLMKLDAO-UHFFFAOYSA-N
-rxn:4:190354:222842,Cc1cc(-c2cccc(C(=O)NC3CCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,DEUOGFTYPCTZAE-UHFFFAOYSA-N
-rxn:4:190375:224170,COc1ccc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc1S(=O)(=O)N1CCCC(C)C1,OXTGMWLDXOCGIJ-UHFFFAOYSA-N
-rxn:4:190444:225115,CCOc1c(Cl)cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCOCC3)cc2C)cc1OC(C)C,JKHSLFAACTUADN-UHFFFAOYSA-N
-rxn:4:190447:223755,Cc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)ccc1N1CCCC(C(=O)C(C)C)C1=O,WCGRWEJGTYOZHT-UHFFFAOYSA-N
-rxn:4:190452:222424,COc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,XATLJQLILRVPMA-UHFFFAOYSA-N
-rxn:4:190675:222684,CC(=O)CCN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,COFVZBOESFXXRC-UHFFFAOYSA-N
-rxn:4:190847:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)c1,XGOKJCSQXXNOAD-UHFFFAOYSA-N
-rxn:4:190926:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O,KCKYJBGZXHHPBX-UHFFFAOYSA-N
-rxn:4:190976:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c1,DTCNSKWTOGQRNP-UHFFFAOYSA-N
-rxn:4:191008:224395,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C1(C)C,USLPEXVFLBMYMP-UHFFFAOYSA-N
-rxn:4:191014:223755,COc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,ZAPOLVONPJPGAH-UHFFFAOYSA-N
-rxn:4:191033:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c1,AIHRPJSSULZWEM-UHFFFAOYSA-N
-rxn:4:191041:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,GIVFPEUCSYBLBQ-UHFFFAOYSA-N
-rxn:4:191043:225723,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccc(OCCN(C)C)c(Cl)c4)ccc3C2=O)CC1,BNCXMSJDBDHBTB-CYWCHRQTSA-N
-rxn:4:191062:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4S(=O)(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)cccc12,FJKPEJDIKALUGG-UHFFFAOYSA-N
-rxn:4:191062:223054,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1)N1CCC(O)C1,FHUSETKDXKOGID-UHFFFAOYSA-N
-rxn:4:191062:223199,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CCNC2)c1,OMHLPGBDAOILQA-UHFFFAOYSA-N
-rxn:4:191062:226123,COCc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1C1CC1,DCPFZQHTKAACGS-UHFFFAOYSA-N
-rxn:4:191062:226923,Cc1cc(C2CC2)c(C)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,LZUDOUJWWNBKCG-UHFFFAOYSA-N
-rxn:4:191062:227626,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCOC2)nc1,WLBIHMJQHJYFSG-UHFFFAOYSA-N
-rxn:4:191080:224420,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2S1(=O)=O,AQYYMTQTZBBXFG-UHFFFAOYSA-N
-rxn:4:191087:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(C)c1,VTFBCNSIZFBJMK-UHFFFAOYSA-N
-rxn:4:191089:223036,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc(NC(=O)C(C)(C)C)nc3)ccc2C(C)(C)C1,XGGKBLLKISGSSG-UHFFFAOYSA-N
-rxn:4:191089:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,ZUSAEBXMMNXOGX-UHFFFAOYSA-N
-rxn:4:191090:222932,COCCNS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,CBOXVWWVFNJNBZ-UHFFFAOYSA-N
-rxn:4:191090:224842,CC(C)(C)OC(=O)N1Cc2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2C(C)(C)C1,BWMWMAHRZGKLJV-UHFFFAOYSA-N
-rxn:4:191091:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)c1,AIXJQVVTFSVLMX-UHFFFAOYSA-N
-rxn:4:191091:222974,CC(C)(C)NC(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,PSHKUWBCVZGSEP-UHFFFAOYSA-N
-rxn:4:191095:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4ccc5c(c4)CCO5)C3)cc2)CC1,NWYHITDFHMBCCT-UHFFFAOYSA-N
-rxn:4:191097:222843,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C)cc3C(=O)NC(C)(C)C)cc21,OHIHUGIRGYPYFI-UHFFFAOYSA-N
-rxn:4:191103:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,LJAKHQIXTWZKBB-UHFFFAOYSA-N
-rxn:4:191103:226115,CC(C)CC(=O)c1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,QWYGLSDOUQMHML-UHFFFAOYSA-N
-rxn:4:191103:226212,CON=C1CCc2cc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)ccc21,PZXNITCKEANJPR-UHFFFAOYSA-N
-rxn:4:191105:227216,COCCOc1ccccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,MUXNCWSVKSDCFH-UHFFFAOYSA-N
-rxn:4:191123:226923,Cc1cc(C2CC2)c(C)cc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,PQLZBYDRJOSSMQ-UHFFFAOYSA-N
-rxn:4:191132:222540,Cc1ccc(C(=O)C2=CN(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c3ccccc3S2(=O)=O)c(C)c1,KTTSEIVZKSYPPE-UHFFFAOYSA-N
-rxn:4:191146:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)ON3C(=O)c4cccc5c(Cl)ccc(c45)C3=O)cc2)CC1,SHRIQDLYUUSWOW-UHFFFAOYSA-N
-rxn:4:191157:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C=NCC56CC7CC(CC(C7)C5)C6)cc4)c3)cccc12,CDPPJFXATBGQFN-UHFFFAOYSA-N
-rxn:4:191172:226551,CCOc1cc(-c2ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc2)cc(Cl)c1OC,NRGNILNFEHSTRW-UHFFFAOYSA-N
-rxn:4:191184:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(Cl)cc2)N(CC2CCCO2)C4=O)c1,CHJYEAVUZQEGIE-UHFFFAOYSA-N
-rxn:4:191195:222526,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3cc(OCc4ccccc4)ccc3[nH]1)c1c2CCC1,NDROENKITRZHNF-UHFFFAOYSA-N
-rxn:4:191195:222760,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(=O)Nc3ccccn3)cc1)c1c2CCC1,PMXYGYZNSCVFLD-UHFFFAOYSA-N
-rxn:4:191196:222684,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2ccc(OCCN4CCNCC4)c(Cl)c2)cc1)N(CC1CCCO1)C3=O,KFYVQDMCTLCTRX-UHFFFAOYSA-N
-rxn:4:191196:226010,COc1ccc(OC(F)(F)F)cc1-c1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC2CCCO2)cc1,WWRISEGZNVJABR-UHFFFAOYSA-N
-rxn:4:191206:223279,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cnc(C5CCCN5)nc4)c3)C3=C(CCCC3=O)N1CC2,KKEFLRFJUNYHRB-UHFFFAOYSA-N
-rxn:4:191206:227972,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cncc(C5CCC5)c4)c3)C3=C(CCCC3=O)N1CC2,SHBSXNJWALZPHH-UHFFFAOYSA-N
-rxn:4:192657:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C(F)(F)F)OCCO4)nc3)cn2)CC1,NKXINAYTPJGNEZ-UHFFFAOYSA-N
-rxn:4:193131:222693,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)C=C1,LWDQFIWYUXOICL-UHFFFAOYSA-N
-rxn:4:193191:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c2)CC1,NYNIDFCEIWJYRJ-UHFFFAOYSA-N
-rxn:4:193246:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(F)(F)F)c3N3CCCC3)cc2)CC1,MBCPDWGRNRXYJZ-HZCBDIJESA-N
-rxn:4:193293:222645,O=S1(=O)CCCN1c1cc(-c2cccc(OCCN3CCC(O)CC3)c2)cc(C(F)(F)F)c1,VOYAFCDIXOYIKP-UHFFFAOYSA-N
-rxn:4:193338:223712,COc1ccc(-c2cc(Cl)cc(CN3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,JEFATVGGKCQDQF-UHFFFAOYSA-N
-rxn:4:193386:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,UWNGLRXECPRTEM-UHFFFAOYSA-N
-rxn:4:193405:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc(F)c2s1,NGULIGNNIBAYSB-UHFFFAOYSA-N
-rxn:4:193555:223753,Cc1ccc(-c2cccc(S(=N)(=O)C3CCOCC3)c2)cc1OCCCN1CCN(C)CC1,UEIZWDTXUZUUTJ-UHFFFAOYSA-N
-rxn:4:193563:223895,CCN1CCN(CCOc2ccc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,KIKHLWQGVKGDKP-UHFFFAOYSA-N
-rxn:4:193651:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N2CCC(F)(F)CC2)c(F)cc1F,IGIBLKSLTCYWPJ-UHFFFAOYSA-N
-rxn:4:193667:223699,C[C@@H]1COCCN1Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1,MOYWRHWVBCCRDP-QGZVFWFLSA-N
-rxn:4:193693:222724,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,DTLPZAGRMOFTPI-UHFFFAOYSA-N
-rxn:4:193766:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(F)cccc2C(=O)N2CCC(C)CC2)cc1,WJDNCHUNHNZJLX-UHFFFAOYSA-N
-rxn:4:193875:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(N2CCC(C)CC2)cc(C(F)(F)F)c1,HQTBZNWGEKIDOD-UHFFFAOYSA-N
-rxn:4:193875:224770,Cc1cc(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,NSYMRMOYXDNXJW-UHFFFAOYSA-N
-rxn:4:193876:224761,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,SNXSKXXFSFSDOC-UHFFFAOYSA-N
-rxn:4:193877:224782,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,NPZFPXZEKMUWHK-UHFFFAOYSA-N
-rxn:4:193883:224762,CC1CCCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)c(F)cc2F)C1,KUYYDOWIWSELFH-UHFFFAOYSA-N
-rxn:4:193886:224593,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1ccc(F)c(CN2CCC(C)CC2)c1,DXJIQUVYHRFGOS-UHFFFAOYSA-N
-rxn:4:193898:223812,COC1CCN(c2cccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2C)CC1,SQTABRSXSYWHCX-UHFFFAOYSA-N
-rxn:4:193910:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C=C5SC(=S)N(C6CCS(=O)(=O)C6)C5=O)cc4)c3)cccc12,GDWRCKQOOFYHEC-UHFFFAOYSA-N
-rxn:4:193933:222808,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cc(C(=O)NC(C)C)cc([N+](=O)[O-])c2)c1,QZYDLBXICFKKQK-UHFFFAOYSA-N
-rxn:4:193956:223809,Cc1ccc(C2(N3CCC(=O)CC3)CC2)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1,VBHJITRDXYSGRV-UHFFFAOYSA-N
-rxn:4:193957:223753,Cc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1OCCCN1CCN(C)CC1,BATJJKLOAMUAMO-UHFFFAOYSA-N
-rxn:4:193957:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)ccc2C)CC1,MITBOWKJDZLRTC-UHFFFAOYSA-N
-rxn:4:193963:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)CC1,LIOJDIPVQSAGHC-UHFFFAOYSA-N
-rxn:4:193975:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4S(=O)(=O)N4CCC5(CC4)OCCS5)c3)cccc12,PDTMVDXXPYVQPD-UHFFFAOYSA-N
-rxn:4:193994:223992,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,PKDZQTRZOOACQY-UHFFFAOYSA-N
-rxn:4:193997:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1C,PVOHGPJXWLNPLC-UHFFFAOYSA-N
-rxn:4:193997:224793,Cc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1cc(C(F)(F)F)cnc1OCC(C)C,TVIQMNCUMBLZLC-UHFFFAOYSA-N
-rxn:4:194000:222684,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,CVNCLDOBQMMMGO-UHFFFAOYSA-N
-rxn:4:194035:223491,COC(=O)c1noc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)ccc12,PRNLYFSCUBNPSH-UHFFFAOYSA-N
-rxn:4:194171:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)C(=O)C(=O)N4CC(F)(F)F)ccc2F)CC1,HOACESYNBIYEBA-UHFFFAOYSA-N
-rxn:4:194255:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(C(F)(F)F)nc4ccc(C(F)(F)F)cc34)c(F)c2)CC1,UPHXDSVKZRDIGO-UHFFFAOYSA-N
-rxn:4:194352:223699,CCC(=O)N1CCc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)ccc21,WSLCNYLSVWEGBJ-UHFFFAOYSA-N
-rxn:4:194369:222623,CCC(C)c1cc(-c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)cc(C2CCNCC2)n1,JQPCLVJWJFFAII-UHFFFAOYSA-N
-rxn:4:194421:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CC5CC4CS5)c3)cc2)CC1,NOFXHANCGUREKI-UHFFFAOYSA-N
-rxn:4:194427:223482,O=C(c1ccccc1)n1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2ccccc21,PLGAIENDEBNBRV-UHFFFAOYSA-N
-rxn:4:194443:223698,CCC(=O)N1CCc2c(cccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)C1,MEPMQOOQKGSEOL-UHFFFAOYSA-N
-rxn:4:194585:223884,CC(=O)N1c2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2CC1C(C)C,JQWCKOLITRSOSI-UHFFFAOYSA-N
-rxn:4:194615:222514,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)c4ccccc43)cc2)cc1S(=O)(=O)NC1CCCCC1,JKJPYABYKSDDEF-UHFFFAOYSA-N
-rxn:4:194649:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)C=C(C(=O)N4CCOCC4)C=CO5)c3)cccc12,MWCMBKJHNOFVLS-UHFFFAOYSA-N
-rxn:4:194715:225117,CC(C)CCOc1cc(-c2cccc3c2CCC3N2CCC(C(F)(F)F)CC2)c(F)cc1F,QDVVKPCQAGCCCE-UHFFFAOYSA-N
-rxn:4:194730:223812,COC1CCN(C2CCc3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,LAAXCNQPOLWDAU-UHFFFAOYSA-N
-rxn:4:194730:224653,COC1CCN(C2CCc3cc(-c4ccc(Cl)cc4OCC4CCCCO4)ccc32)CC1,KLSFVRIEGXQNDC-UHFFFAOYSA-N
-rxn:4:194731:224586,COC1CCN(C2CCc3ccc(-c4cc(F)ccc4CN4CCC(C)CC4)cc32)CC1,LDSYSBTVWAAHML-UHFFFAOYSA-N
-rxn:4:194750:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccn1)C(F)(F)F,MGRHZGLAJQQCFK-UHFFFAOYSA-N
-rxn:4:194768:224585,COC1CCN(C2CCCc3cc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)ccc32)CC1,SEOFCCBOUOIAMD-UHFFFAOYSA-N
-rxn:4:194794:224877,O=C1C2C(c3ccc(-c4ccc(COC5CCCCC5)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(F)cc1,NEFVWDBFPCABHT-UHFFFAOYSA-N
-rxn:4:194853:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)cc1,ZLIJNLXHIGMJSF-UHFFFAOYSA-N
-rxn:4:195157:223490,Cc1ccc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BZRADNPWFFGFOY-UHFFFAOYSA-N
-rxn:4:195644:223490,Cc1ccc(-c2cc(C)c([N+](=O)[O-])c(F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PJAJQMFYKUQEAK-UHFFFAOYSA-N
-rxn:4:196580:223542,CN1CCN(S(=O)(=O)c2cc(-c3cccc(C4(C)OCCO4)n3)ccc2OC(F)(F)F)CC1,ARLIOWPZYZLUDX-UHFFFAOYSA-N
-rxn:4:196710:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cc(C4COCCC4=O)ccn3)cc2)C1,DHKBDPJXBHTTFQ-UHFFFAOYSA-N
-rxn:4:197027:223809,CN1CCC(=O)CC1c1ccccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,IQOXWWAAYKNNPR-UHFFFAOYSA-N
-rxn:4:197059:224612,O=C1CC2(CCCC2)C(=O)N1c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,LLNHQESBGVOWQZ-UHFFFAOYSA-N
-rxn:4:197169:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cc4c3OCC(C#N)=C4)cn2)CC1,DPZBMNIKCREGOE-UHFFFAOYSA-N
-rxn:4:197982:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)CN(c2ccc4c(c2)OCCO4)C(=O)CO3)CC1,PYAIDIKSASVXQD-UHFFFAOYSA-N
-rxn:4:197988:224662,CC1CCN(C2CCCc3c(-c4cc(F)ccc4CN4CCN(C)CC4)cccc32)CC1,QCVJGOKPMVVYER-UHFFFAOYSA-N
-rxn:4:198294:223482,Cc1ccc[n+]([O-])c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AXCPQUITYNUBEG-UHFFFAOYSA-N
-rxn:4:199459:223652,CCOC(=O)Cc1cc(C#N)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],HKYAASKCNCFJCH-UHFFFAOYSA-N
-rxn:4:199500:222912,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cn1,WLMIIYBIRBJZML-UHFFFAOYSA-N
-rxn:4:199537:224962,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2COC2CCOCC2)c([N+](=O)[O-])c1,DQWYDXJFDFACCD-UHFFFAOYSA-N
-rxn:4:199570:223075,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1,ODDPLSCECPAKDG-LJQANCHMSA-N
-rxn:4:199595:225126,CN(C(=O)COC(=O)c1cncc(-c2cc(F)ccc2OCC2CCCO2)c1)C1CCCCC1,RVFWVTRHEOAJCD-UHFFFAOYSA-N
-rxn:4:199597:222580,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)CC1,FZQUITFTGLAEAZ-UHFFFAOYSA-N
-rxn:4:199624:224198,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1ccc(CN2CCN(CC)CC2)cc1F,ONBIJYUNKNKNDV-UHFFFAOYSA-N
-rxn:4:199633:223699,COc1ccc(-c2noc(CS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)n2)cc1OC,AKTLZMAZBOUFJU-UHFFFAOYSA-N
-rxn:4:199637:226474,CN(C)CCOc1cncc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)c1,SPKMTLHWKNUXCG-UHFFFAOYSA-N
-rxn:4:199650:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,DYMPELLAXGVEHA-UHFFFAOYSA-N
-rxn:4:199694:222424,COc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1CCC(=O)N1CCC(N2C(=O)CSC2=O)C1,NCPPBMCKXSUTLI-UHFFFAOYSA-N
-rxn:4:199698:225346,CCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,BYFBWVIZLHJVHU-UHFFFAOYSA-N
-rxn:4:199701:225377,O=C(OCc1ccccc1)N1CCN(C(=O)c2cc(F)cc(-c3ccc(OC(F)F)c(C(F)(F)F)c3)c2)CC1,DDCISQGPODPUQH-UHFFFAOYSA-N
-rxn:4:199709:225984,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,DUXCIYREVKYZJT-UHFFFAOYSA-N
-rxn:4:199712:223958,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)N2CCN(CC)CC2)c(F)c1,OBVCBXSPRNFVOZ-UHFFFAOYSA-N
-rxn:4:199712:226844,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,DFSGEHVKWQDUMD-UHFFFAOYSA-N
-rxn:4:199714:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,AADRWAUNVAGSME-UHFFFAOYSA-N
-rxn:4:199724:226794,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCSCC4)nc3)cc(F)c2[N+](=O)[O-])CC1,NXPQCMRRSPXUTG-UHFFFAOYSA-N
-rxn:4:199730:224243,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3-c3cc(F)cc(C(=O)N4CCCCC4C)c3)CC2)cc1,MRQVAEWOYBMQCW-UHFFFAOYSA-N
-rxn:4:199757:223035,CN(Cc1ccc(-c2cccnc2NC(=O)C(C)(C)C)cc1N1CCCC1)C(=O)OC(C)(C)C,QDDUYHYCRSEYRP-UHFFFAOYSA-N
-rxn:4:199759:223184,C[Si](C)(C)CCOC(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)nc3)c2)CC1,SONHFMYIYZCTPU-UHFFFAOYSA-N
-rxn:4:199833:225723,CC1CN(CCc2cc(-c3ccc(OCCN(C)C)c(Cl)c3)ccc2F)CCN1C(=O)OC(C)(C)C,FUOCYGGXBWCSCU-UHFFFAOYSA-N
-rxn:4:199841:225110,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccc(OC(=O)OC(C)(C)C)cc2)CCN1C(=O)OC(C)(C)C,WPNOYRMPOQDWGS-UHFFFAOYSA-N
-rxn:4:199855:223279,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,RQXQNDTUMNRKHJ-UHFFFAOYSA-N
-rxn:4:199870:222405,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C2NC(=O)NC2=O)c1,SSFAJAFRPCCJJK-UHFFFAOYSA-N
-rxn:4:199870:222595,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1,MSPSDODBMDNPSL-UHFFFAOYSA-N
-rxn:4:199870:222838,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(CNC(=O)C(C)(C)C)cc1,QSFYCMUIHUDBEX-UHFFFAOYSA-N
-rxn:4:199870:222934,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C(=O)NCC)cc([N+](=O)[O-])c1,VDFSSXYNXMKKJE-UHFFFAOYSA-N
-rxn:4:199870:222966,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cncc(CNCC(C)(C)C)c1,SAHKYHSBSJSJIJ-UHFFFAOYSA-N
-rxn:4:199870:223019,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(=O)NCCC#N)c1,JEPLFKAOSNIVNT-UHFFFAOYSA-N
-rxn:4:199870:223024,CCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OCCC)ccc1F,ARSCEJNSEYIUKU-UHFFFAOYSA-N
-rxn:4:199870:223106,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(N2CCC(O)C2)nc1Cl,SFGPCXSJPFQURJ-UHFFFAOYSA-N
-rxn:4:199870:223116,C#CCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OCCC)cc1,PTLLYNPSUKNHLN-UHFFFAOYSA-N
-rxn:4:199870:223119,C#CCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OCCC)c1,URCMJVAVXBCJSM-UHFFFAOYSA-N
-rxn:4:199870:223121,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NC2CC2)cc1,SIOGNXXUMXWSRZ-UHFFFAOYSA-N
-rxn:4:199870:223179,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,WOOKYNUUTFXTMK-UHFFFAOYSA-N
-rxn:4:199870:223180,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NOC)c(F)c1,KPYGUMGNENDUCH-UHFFFAOYSA-N
-rxn:4:199870:223228,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(NC(=O)CC)cc1,WTDITGDNFYSNHE-UHFFFAOYSA-N
-rxn:4:199870:223272,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NC)cc1F,FCJQWUUNZJXDLC-UHFFFAOYSA-N
-rxn:4:199870:223577,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,CNAFYIUMZLFTHV-UHFFFAOYSA-N
-rxn:4:199870:223817,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnn(CCN2C(=O)c3ccccc3C2=O)c1,NMJNTMUUOHOISW-UHFFFAOYSA-N
-rxn:4:199870:224274,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc2cnccc2n1C(=O)OC(C)(C)C,UVWMMCIBGFDBAO-UHFFFAOYSA-N
-rxn:4:199870:224415,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccnc(C(F)(F)C(F)(F)C(F)(F)F)c1,GNFROMBTQPDECJ-UHFFFAOYSA-N
-rxn:4:199870:224614,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N(C)C(=O)OC(C)(C)C)cc1,ISSZPQNKNUZMDP-UHFFFAOYSA-N
-rxn:4:199870:224705,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N2CCC(C)CC2)c(F)c1F,MAZWOBULKSARCL-UHFFFAOYSA-N
-rxn:4:199870:225003,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N2CCCCC2)cc1OC,LYPZUYVFTGSNNP-UHFFFAOYSA-N
-rxn:4:199870:225797,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(C)(C)C)c([N+](=O)[O-])c1,JPPFPJRXICDARO-UHFFFAOYSA-N
-rxn:4:199870:226115,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(=O)CC(C)C)c1,LJDBJYAAPNFPIU-UHFFFAOYSA-N
-rxn:4:199870:226336,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C#N)c(C2CC2)cc1Cl,BKUQPNLOAIKMBV-UHFFFAOYSA-N
-rxn:4:199870:226567,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)C(=O)OC)cc1,XUDQXABIRBRFTF-UHFFFAOYSA-N
-rxn:4:199870:226577,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(Cl)cc(C(=O)N(C)C)c1,TZYHBOUYTQONLW-UHFFFAOYSA-N
-rxn:4:199870:226843,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)C(F)(F)F)nc1,UDBUMQCJXPKCAH-UHFFFAOYSA-N
-rxn:4:199870:226918,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C2=CCCC2)cc1,ZNAAFKNCVADXEQ-UHFFFAOYSA-N
-rxn:4:199870:227035,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C#N)cc(C2CC2)c1,UOQVBUGXXZXMMT-UHFFFAOYSA-N
-rxn:4:199870:227505,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(/C=C/[N+](=O)[O-])cc1,OKGCVAYSMOEECD-CCEZHUSRSA-N
-rxn:4:199870:227506,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,NWTLCJFIVKOFQC-BUHFOSPRSA-N
-rxn:4:199870:227507,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C=C[N+](=O)[O-])c1,NWTLCJFIVKOFQC-UHFFFAOYSA-N
-rxn:4:199870:227508,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C)nc(C(=O)OC)c1,UIIMUDOAISSPBQ-UHFFFAOYSA-N
-rxn:4:199870:227565,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(Cl)cc(OC)c1OC,UCBINAMOGLLFIL-UHFFFAOYSA-N
-rxn:4:199870:227625,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCCO2)nc1,MFACKJZPAMOMEU-UHFFFAOYSA-N
-rxn:4:199870:227738,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C(F)(F)F)ncc1C,XILMZVZVDRZHHY-UHFFFAOYSA-N
-rxn:4:199883:224024,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)CC2)CC1,MCZFHMSCLRVVEA-UHFFFAOYSA-N
-rxn:4:199982:224808,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3)ccc21,NXNVBBOMVRGEMJ-UHFFFAOYSA-N
-rxn:4:199993:228734,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2c(C)ccnc2OC)ccc1OC,GAFXYDLVNSYFCA-UHFFFAOYSA-N
-rxn:4:199996:225053,CCOCCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(-c3ccc(N4CCCCC4C)cc3F)ccc21,RBSRWHHUDCVNTF-UHFFFAOYSA-N
-rxn:4:200009:224820,O=C(CSc1cn(Cc2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)c2ccccc12)N1CCCCC1,IZYMZMXZAZCREV-UHFFFAOYSA-N
-rxn:4:200026:225219,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)C(=O)N2C1c1ccc(OC)cc1,XQTYVRAXWSCTQM-UHFFFAOYSA-N
-rxn:4:200027:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CSc4cn(CC(=O)N5CCCCCC5)c5ccccc45)cc3)ccc2F)CC1,KPFGCJHSZLTGFS-UHFFFAOYSA-N
-rxn:4:200034:224399,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(-c4ccc(N5CCOCC5)cc4C(F)(F)F)ccc23)cc1,NQKPDEPFJUAXAE-UHFFFAOYSA-N
-rxn:4:200039:222412,CNC(=O)Nc1ccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)cc1,OFBOLABGMYXROU-UHFFFAOYSA-N
-rxn:4:200039:222504,COc1ccc(-c2ccc(F)c(C(=O)NCc3ccc(F)cc3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,LQTIATZKWWJETH-UHFFFAOYSA-N
-rxn:4:200039:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,MEOCTXFGYILHTO-UHFFFAOYSA-N
-rxn:4:200039:222564,COc1ccc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,SGCQQAZHHLZHPG-UHFFFAOYSA-N
-rxn:4:200039:222577,COc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JOBNNXUZBNZFEY-UHFFFAOYSA-N
-rxn:4:200039:222587,COc1ccc(-c2cc(NCc3ccccc3)cc([N+](=O)[O-])c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,NOPYCDGRNNPDCT-UHFFFAOYSA-N
-rxn:4:200039:222628,COc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,BQXVMJBINOOCPR-UHFFFAOYSA-N
-rxn:4:200039:222698,COc1ccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JBFSNZGIAXNRRY-UHFFFAOYSA-N
-rxn:4:200039:222833,COc1ccc(-c2cccc(NC(=O)CCC(C)C)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,IKRGKNVLPZUCFM-UHFFFAOYSA-N
-rxn:4:200039:222861,CCCCNC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)ccc1F,AOULEPLKQPRTAX-UHFFFAOYSA-N
-rxn:4:200039:222996,COc1ccc(-c2ccc(F)cc2C2CCCNC2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JCMBBDHUHYDCMO-UHFFFAOYSA-N
-rxn:4:200039:223046,COc1ccc(-c2ccc(F)c(C(=O)NC3CC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,YKGARESEDFQHLL-UHFFFAOYSA-N
-rxn:4:200039:223060,COc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,YMZPZQLYRUHBRZ-UHFFFAOYSA-N
-rxn:4:200039:223118,CCCC(=O)Nc1cccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c1,UAAGQEIXTKZJJL-UHFFFAOYSA-N
-rxn:4:200039:223139,COc1ccc(-c2ccc(C3CCNCC3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,YXMMBOILKNVYHE-UHFFFAOYSA-N
-rxn:4:200039:223151,COc1ccc(-c2ccc(C(=O)NCC#N)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,VDFLWBAXAMIJSQ-UHFFFAOYSA-N
-rxn:4:200039:223154,CCNC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)ccc1F,XFWSSJBLPFITHM-UHFFFAOYSA-N
-rxn:4:200039:223180,CONC(=O)c1ccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)cc1F,GPCOMVJGYHXIHI-UHFFFAOYSA-N
-rxn:4:200039:223255,CONC(=O)c1cccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c1,FZYMVQRAJVXFGX-UHFFFAOYSA-N
-rxn:4:200039:223577,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,HKSNXHSRVVYOQY-UHFFFAOYSA-N
-rxn:4:200039:223579,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,XIKHFODYBIQJAX-UHFFFAOYSA-N
-rxn:4:200039:223582,COC(=O)c1ccc2cc(-c3ccc(OC)c(CCC(=O)N4CCC(N5CCc6ccccc6C5)C4)c3)n(C(=O)OC(C)(C)C)c2c1,HHSFZCBJKWZPBE-UHFFFAOYSA-N
-rxn:4:200039:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,KMYMMDRUPPPISI-UHFFFAOYSA-N
-rxn:4:200039:223637,COc1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,HZZBZKJYRPHZRS-UHFFFAOYSA-N
-rxn:4:200039:223859,COc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,BVQYPMCZGPJISN-UHFFFAOYSA-N
-rxn:4:200039:223923,COc1ccc(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,GSGUULHHYXOACH-UHFFFAOYSA-N
-rxn:4:200039:223938,COc1ccc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JNIFYXDOOHNYJV-UHFFFAOYSA-N
-rxn:4:200039:224187,COc1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,WKCAOOJYAQYMEB-UHFFFAOYSA-N
-rxn:4:200039:225326,CCOC(=O)c1ccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c([N+](=O)[O-])c1,JFBVPTQQTLDQAN-UHFFFAOYSA-N
-rxn:4:200039:225577,COc1ccc(-c2ccc(N3CCCC3)cc2C#N)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,YGGFNTRDSRSMTL-UHFFFAOYSA-N
-rxn:4:200039:226002,COc1ccc(-c2ccc([N+](=O)[O-])c(OC(C)=O)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,XOPXLFQNTXZVER-UHFFFAOYSA-N
-rxn:4:200039:226270,COc1ccc(-c2cccc(C=C(C#N)C#N)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,ICEODGMMZBFVEW-UHFFFAOYSA-N
-rxn:4:200039:226501,CCOC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)cnc1C,NTXXLQQPNDZRBV-UHFFFAOYSA-N
-rxn:4:200039:226843,COc1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,WKCOOBURWDRHIY-UHFFFAOYSA-N
-rxn:4:200039:227022,COc1ccc(-c2ccc(CN3CCC3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JJWTWUUGRFEQMA-UHFFFAOYSA-N
-rxn:4:200039:227037,COc1ccc(-c2cc(C#N)ccc2C2CC2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JHUDHVIEVHYEOV-UHFFFAOYSA-N
-rxn:4:200039:227071,COCc1cc(C)c(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c(C)c1,GDZMVYLVCOGVNK-UHFFFAOYSA-N
-rxn:4:200039:227376,COc1ccc(-c2cncc(N3CCCC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,VAAYLWQCNBGGPR-UHFFFAOYSA-N
-rxn:4:200039:227489,COc1ccc(-c2cnc(N(C)C)c(C#N)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,DXXMWMGPEKGRQI-UHFFFAOYSA-N
-rxn:4:200039:228092,CCN(CC)c1csc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c1,QRVICBZWRIUEPX-UHFFFAOYSA-N
-rxn:4:200056:228436,COc1ccc(F)c(Cl)c1-c1cccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)c1,RNSALZPCLIPQKM-UHFFFAOYSA-N
-rxn:4:200089:223809,CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,XAEWJXQGBUGHDD-UHFFFAOYSA-N
-rxn:4:200158:223570,COC(=O)C(C(=O)OC)c1ncc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cn1,IAAJHZHNJNNDIK-UHFFFAOYSA-N
-rxn:4:200277:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC2)cc1S(=O)(=O)NC1CCCCC1,WQPZMUNTYUDZBL-UHFFFAOYSA-N
-rxn:4:200280:222628,CCC(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,QJUXZZFPRGXEGT-UHFFFAOYSA-N
-rxn:4:200282:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc([N+](=O)[O-])ccc4OCC(=O)N4CCOCC4)c3)cccc12,XSDRJFHUBPGBJC-UHFFFAOYSA-N
-rxn:4:200308:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(CSC2=NCCN2C(=O)C2CC2)cc1,MCPXOZOVKSMFGH-UHFFFAOYSA-N
-rxn:4:200308:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(CSC3=NCCN3C(=O)C3CC3)cc2)CC1,FSAZOHFAJNTUAH-UHFFFAOYSA-N
-rxn:4:200386:227721,O=C(Cc1ccc(-c2cc(Cl)cc(OC(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,GMAJPLMTFBZCJO-UHFFFAOYSA-N
-rxn:4:200441:226374,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cncnc1C1CCCCC1,QRTHBCPULKPKNE-UHFFFAOYSA-N
-rxn:4:200467:222461,CCN1CCN(CCOc2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2F)CC1,LBJINWLQZUCYLR-UHFFFAOYSA-N
-rxn:4:200472:225197,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(F)c(OC3CCCC3)c(Cl)c2)CC1,WHBMCIAYIOKVQL-UHFFFAOYSA-N
-rxn:4:200479:222436,COCCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)Nc4cccc(OC(F)(F)F)c4)c3)c2)CC1,VBBYWWDLFVJMEU-UHFFFAOYSA-N
-rxn:4:200492:224708,O=C(CCc1ccccc1-c1ccc2cc(OC(F)(F)F)ccc2c1)N1CC(N2C(=O)CCC2=O)C1,BUSLBEYRXSAFOY-UHFFFAOYSA-N
-rxn:4:200505:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)CC(N(Cc5ccco5)C(C)=O)C4=O)cc3)cc2)CC1,SBWVCROUNBQSJD-UHFFFAOYSA-N
-rxn:4:200513:225674,O=C(c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1Cl)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1,IWEBUBCPMRQXFR-UHFFFAOYSA-N
-rxn:4:200515:224198,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C4CCCC4)cc3)c(F)c2)CC1,RXXLSICJPQTLGF-UHFFFAOYSA-N
-rxn:4:200534:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccccc3)o2)c1,TYSDXJIAGMFOFD-UHFFFAOYSA-N
-rxn:4:200599:226501,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2OCC)cnc1C,MUGSEFKTSWMBOU-UHFFFAOYSA-N
-rxn:4:200611:225977,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cc2F)C1,RMGCFVMWCPMOEP-UHFFFAOYSA-N
-rxn:4:200643:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,DXPLURYJRQUZQC-UHFFFAOYSA-N
-rxn:4:200645:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CSC5=NCCN5C(=O)C5CCCCC5)cc4)c3)cccc12,WXQGXFHYVRVNRX-UHFFFAOYSA-N
-rxn:4:200646:222934,CCNC(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)cc([N+](=O)[O-])c1,QRYNDVKIVFPKEG-UHFFFAOYSA-N
-rxn:4:200647:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,LOBRSHNMCAWKNX-UHFFFAOYSA-N
-rxn:4:200671:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4CCC(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)cccc12,AFKFEXAGZYGDLD-UHFFFAOYSA-N
-rxn:4:200690:222540,CC(C)CN1CCN(CCc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,COUURXPXOUQBIP-UHFFFAOYSA-N
-rxn:4:200694:226844,CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PGSUBSFLXKMYKU-UHFFFAOYSA-N
-rxn:4:200700:223939,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,YHBSLTICUIDOJP-UHFFFAOYSA-N
-rxn:4:200720:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,CEAINXXSQCELIL-UHFFFAOYSA-N
-rxn:4:200729:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)CC1,GHUROQPPMLNYCC-UHFFFAOYSA-N
-rxn:4:200732:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C(F)(F)F)CC1,XTGGNRCTBHIXLQ-UHFFFAOYSA-N
-rxn:4:200740:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F,IRUGAWRFJHJWBA-UHFFFAOYSA-N
-rxn:4:200746:222632,Cc1cc(OC2CN(C(=O)c3cc(-c4cccc(C(=O)NCCN5CCCC5)c4)ccc3Cl)C2)cc(=O)n1C1CC1,YAGZUUAXJVJALL-UHFFFAOYSA-N
-rxn:4:200746:224198,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CC(Oc5cc(C)n(C6CC6)c(=O)c5)C4)c3)c(F)c2)CC1,KVVKBCCHJRGVFZ-UHFFFAOYSA-N
-rxn:4:200773:224612,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NN2S(C)(=O)=O)c1,ZZPMGAMBHBSLCT-UHFFFAOYSA-N
-rxn:4:200780:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1,IHQMEHSPEDVBKT-UHFFFAOYSA-N
-rxn:4:200804:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC2(C)C)cc1OC,DUHSBDOOCDASDX-UHFFFAOYSA-N
-rxn:4:200807:222629,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,JCRYBUOPFAJHGE-UHFFFAOYSA-N
-rxn:4:200813:227781,CC(c1ccc(-c2cnc(Cl)cc2C(F)(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,UOCZQIVCWFBRNJ-UHFFFAOYSA-N
-rxn:4:200822:228786,COc1cccc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)c1Cl,SDFDQVPSROBZPY-UHFFFAOYSA-N
-rxn:4:200823:223057,Cc1cc(-c2cc(Cl)nc(C3CCCNC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SNCXNVYKCNZCMF-UHFFFAOYSA-N
-rxn:4:200846:223637,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,HBCMMSJPJYDGKZ-UHFFFAOYSA-N
-rxn:4:200854:228629,COC(=O)C1CCCN(Cc2ccc(-c3ccc(C4CCC4)s3)cc2N2CCOCC2)C1,WRTOVOAJNXTKRU-UHFFFAOYSA-N
-rxn:4:200857:224018,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,RHETZYJRZOOIQV-LJQANCHMSA-N
-rxn:4:200868:223181,CCNS(=O)(=O)c1cccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,GYYUGYFJEZZLPN-UHFFFAOYSA-N
-rxn:4:200876:222666,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)Nc5ccccc5F)c4)cc3)=NC23CCCC3)cc1OC,QYGVYPOZDMYXBE-UHFFFAOYSA-N
-rxn:4:200887:222540,COc1ccccc1C1CC(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,YUAZNMXXDYXTTG-UHFFFAOYSA-N
-rxn:4:200892:224316,CCOc1ccc(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,SGDNFEQNDLETSK-UHFFFAOYSA-N
-rxn:4:200895:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCCCC5CCN5CCCCCC5)cc4)c3)cccc12,LSLFDXQAAIYAAX-UHFFFAOYSA-N
-rxn:4:200899:224289,COc1cc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1-c1ccc(N(C)C(=O)OC(C)(C)C)cc1F,WSVBCXBZIOUTNP-UHFFFAOYSA-N
-rxn:4:200900:222632,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)=NC23CCCCC3)cc1OC,MRHSUWPSQUNYFN-UHFFFAOYSA-N
-rxn:4:200900:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCCC3)cc1OC,GFNZEIXEBLNPQU-UHFFFAOYSA-N
-rxn:4:200900:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc1OC,HTYFSOWFBSOBCT-UHFFFAOYSA-N
-rxn:4:200938:223568,COC(=O)c1nn(C(=O)OC(C)(C)C)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c12,PCUZPDHPYWZCRH-UHFFFAOYSA-N
-rxn:4:200939:222540,CCOC(=O)c1cc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2n1[C@@]1(C#N)C[C@@H]1C,WSTJUNKZVHPPGG-URAOTHONSA-N
-rxn:4:201069:226494,CCN(CC)c1ncc(-c2cc([N+](=O)[O-])c(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)c(C)n1,GRPLNKZBBWQNHI-UHFFFAOYSA-N
-rxn:4:201072:227705,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(C(F)F)cc4OC)ccc3OC)N2C1=O,RTQHQCJGTOFFFP-UHFFFAOYSA-N
-rxn:4:201088:223539,COc1ccc(-c2ccc(CC(=O)N3C4CCC3CC(Oc3ccccn3)C4)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VKFLJUWDELLBLU-UHFFFAOYSA-N
-rxn:4:201098:228080,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc4c(Cl)cccc4s3)ccc21,OQIHCDBXJGARIQ-UHFFFAOYSA-N
-rxn:4:201101:223609,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cc2)N2C(=O)C(C)SC2=N1,VUSCMQMAFQELKZ-UHFFFAOYSA-N
-rxn:4:201105:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12,ZTACEIJGFZQLNB-UHFFFAOYSA-N
-rxn:4:201119:223957,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)cc3)C2=O)c2ccccc21,YARJMULKLKFPCQ-UHFFFAOYSA-N
-rxn:4:201123:223156,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cc(C(=O)NCC)ccc3F)ccc21,BMPGQQWOALWHNQ-UHFFFAOYSA-N
-rxn:4:201123:223963,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3c(F)ccc(OCc4ccccc4Cl)c3F)ccc21,NUGVXVVPMLZFCE-UHFFFAOYSA-N
-rxn:4:201171:222399,O=C(Nc1nc[nH]n1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,CIZZMKMFSDBXLE-UHFFFAOYSA-N
-rxn:4:201171:222405,O=C1NC(=O)C(c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)N1,UPKZEYNGPSYOPD-UHFFFAOYSA-N
-rxn:4:201171:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,ORPPHXZDLNNAJU-UHFFFAOYSA-N
-rxn:4:201171:222501,Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,TXCZUEIHWXWGQJ-UHFFFAOYSA-N
-rxn:4:201171:222516,Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,QYHUJHOLPFJFQT-UHFFFAOYSA-N
-rxn:4:201171:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)c(C)c1,OCFPXRUQTFAVOE-UHFFFAOYSA-N
-rxn:4:201171:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,CRCZQNINLFPVEC-UHFFFAOYSA-N
-rxn:4:201171:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,PEVFTGWWZNUZIN-UHFFFAOYSA-N
-rxn:4:201171:222577,Cc1ccc(NC(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1Cl,XJRYEEYZIXGHFZ-UHFFFAOYSA-N
-rxn:4:201171:222761,O=C(Nc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1)c1ccncc1,YBBIHQRGSRHVRW-UHFFFAOYSA-N
-rxn:4:201171:222853,O=C(N1CCN=C1SCc1ccc(-c2ccc(CN3CCC(O)CC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,MGXPSHBHTTYQOJ-UHFFFAOYSA-N
-rxn:4:201171:222889,O=C(N1CCN=C1SCc1ccc(-c2cc(F)cc(CN3CCNCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,AVEUWNWPSXBLNJ-UHFFFAOYSA-N
-rxn:4:201171:222903,COCCNC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1,VVHJIANQACGVBC-UHFFFAOYSA-N
-rxn:4:201171:223033,CCCNC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1,CUQMWTTYQGBIEV-UHFFFAOYSA-N
-rxn:4:201171:223212,COc1ccc2c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c[nH]c2c1,RIEUQWFAVUKDQO-UHFFFAOYSA-N
-rxn:4:201171:223220,O=C(N1CCN=C1SCc1ccc(-c2ccc(NCC3CC3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RMVGJIXPYWDDPT-UHFFFAOYSA-N
-rxn:4:201171:223247,Cc1n[nH]c2cc(F)c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc12,PTICIJSBOINDRE-UHFFFAOYSA-N
-rxn:4:201171:223296,Cc1ccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1,GLQRWMCBCMNSMI-UHFFFAOYSA-N
-rxn:4:201171:223307,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(c2)CCNC3)cc1)C12CC3CC(CC(C3)C1)C2,DOGWTYMWFWXZQW-UHFFFAOYSA-N
-rxn:4:201171:223366,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)c3cn[nH]c3c2)cc1)C12CC3CC(CC(C3)C1)C2,FEBBOTZYQQVHKO-UHFFFAOYSA-N
-rxn:4:201171:223398,CNCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,AHTBBBBRJADGSZ-UHFFFAOYSA-N
-rxn:4:201171:223423,O=C(N1CCN=C1SCc1ccc(-c2cccc(C=NO)c2)cc1)C12CC3CC(CC(C3)C1)C2,WAVMCDQOEBAZTJ-UHFFFAOYSA-N
-rxn:4:201171:223426,O=C(N1CCN=C1SCc1ccc(-c2cccc(/C=N/O)c2)cc1)C12CC3CC(CC(C3)C1)C2,WAVMCDQOEBAZTJ-OCSSWDANSA-N
-rxn:4:201171:223427,O=C(N1CCN=C1SCc1ccc(-c2ccccc2/C=N/O)cc1)C12CC3CC(CC(C3)C1)C2,UPSHAWIVHZHASP-OCSSWDANSA-N
-rxn:4:201171:223633,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1,QQYUVVOTYLKEOO-UHFFFAOYSA-N
-rxn:4:201171:223672,O=C(N1CCN=C1SCc1ccc(-c2ccccc2COc2cc(C(F)(F)F)ccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,MBEDQUYRHWQUDR-UHFFFAOYSA-N
-rxn:4:201171:223674,O=C(N1CCN=C1SCc1ccc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2,BXGJTQWLNQLDRW-UHFFFAOYSA-N
-rxn:4:201171:223725,CCCCCc1ccc(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(F)c2)cc1,CJPAZIFRHXZCHS-UHFFFAOYSA-N
-rxn:4:201171:223767,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2ccc(C#N)cc21,VFISYORMOVBASF-UHFFFAOYSA-N
-rxn:4:201171:223779,O=C(N1CCN=C1SCc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1)C12CC3CC(CC(C3)C1)C2,CABNHHBBJDVQIJ-UHFFFAOYSA-N
-rxn:4:201171:223785,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,AJVZXKZHPNWMFM-UHFFFAOYSA-N
-rxn:4:201171:223857,CCCCn1c2ccccc2c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,SARPGPCVRQQKEU-UHFFFAOYSA-N
-rxn:4:201171:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,SXEFRYNRMYEYIB-UHFFFAOYSA-N
-rxn:4:201171:223892,CN1CCN(CCCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,OPHDWJZFVIAKOC-UHFFFAOYSA-N
-rxn:4:201171:223907,O=C(OCc1ccccc1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1,WEDZXJZFASUUCJ-UHFFFAOYSA-N
-rxn:4:201171:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2C1,PLFLOOCEXBAXBQ-UHFFFAOYSA-N
-rxn:4:201171:223937,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cccc(Cl)c21,LPOBNDSRPWEICJ-UHFFFAOYSA-N
-rxn:4:201171:223961,CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,FJNNCBLXARYHTO-UHFFFAOYSA-N
-rxn:4:201171:224077,CC(C)(C)[Si](C)(C)n1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21,RJXCWUMHCVVMPJ-UHFFFAOYSA-N
-rxn:4:201171:224088,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCCCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ISDPOIMYQNTOFI-UHFFFAOYSA-N
-rxn:4:201171:224100,CC1CCN(CCOc2ccccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1,DWRGIYMTHLEANO-UHFFFAOYSA-N
-rxn:4:201171:224116,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OCc2ccccc2)c1,OUBPCBUTVRVSSE-UHFFFAOYSA-N
-rxn:4:201171:224119,COc1ccc(OCc2ccccc2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,HNMWMQJTPSQRAV-UHFFFAOYSA-N
-rxn:4:201171:224126,CCN1CCN(C(C)c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,ZKIXWJMRCNOBFU-UHFFFAOYSA-N
-rxn:4:201171:224139,Cc1cc(OCc2cccc(Cl)c2)ccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,SXTOPZSHGUKJBP-UHFFFAOYSA-N
-rxn:4:201171:224149,Cc1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc(OCc2ccccc2)c1Cl,REUINYFCMNCVRS-UHFFFAOYSA-N
-rxn:4:201171:224197,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2F)CC1,QWSZQEYZFACEAD-UHFFFAOYSA-N
-rxn:4:201171:224198,CCN1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(F)c2)CC1,KOQKAKIMVOAXPS-UHFFFAOYSA-N
-rxn:4:201171:224228,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCc3c(F)cccc3F)cc2)cc1)C12CC3CC(CC(C3)C1)C2,DUVLQKSWAWAMJI-UHFFFAOYSA-N
-rxn:4:201171:224335,O=C(N1CCN=C1SCc1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,WVZKOQBITPVMLR-UHFFFAOYSA-N
-rxn:4:201171:224344,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccccc3C(F)(F)F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,YBWSNVUTJHDJMS-UHFFFAOYSA-N
-rxn:4:201171:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC,BRODOBXPPUBOPT-UHFFFAOYSA-N
-rxn:4:201171:224450,Cc1cccc(COc2ccccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,IUALLDWPLWFRRQ-UHFFFAOYSA-N
-rxn:4:201171:224547,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,DMFAMYFTRWCMCD-UHFFFAOYSA-N
-rxn:4:201171:224658,CC(=O)N1CCN(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,IBTVHEOLGPFXEQ-UHFFFAOYSA-N
-rxn:4:201171:224668,CCN1CCN(c2cc(F)cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,CBESHCIMPRGOBQ-UHFFFAOYSA-N
-rxn:4:201171:224696,COc1cccc(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cnc2Cl)c1,ZBYXUCOTLLMDSD-UHFFFAOYSA-N
-rxn:4:201171:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,WJBNNCBLVJFHOD-UHFFFAOYSA-N
-rxn:4:201171:224882,O=C(N1CCN=C1SCc1ccc(-c2ccc(CN3CCCCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,UWGGYWULMNRFQK-UHFFFAOYSA-N
-rxn:4:201171:224933,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,UGOOCWUGPQWNIX-UHFFFAOYSA-N
-rxn:4:201171:224978,O=C(N1CCN=C1SCc1ccc(-c2cc(-n3ccnc3)ccc2C2CC2)cc1)C12CC3CC(CC(C3)C1)C2,VSJXAJRFHWDIBF-UHFFFAOYSA-N
-rxn:4:201171:225049,Cc1cccc(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc(C)n2)n1,LSBIGUZPSVXVSW-UHFFFAOYSA-N
-rxn:4:201171:225236,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3cccc(F)c3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,JYTBIDQXHJLRHT-UHFFFAOYSA-N
-rxn:4:201171:225246,O=C(N1CCN=C1SCc1ccc(-c2cnc(Cl)c(-c3cccc(F)c3)c2)cc1)C12CC3CC(CC(C3)C1)C2,LBGIIMYNFYPOSC-UHFFFAOYSA-N
-rxn:4:201171:225388,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1)C12CC3CC(CC(C3)C1)C2,NJRWSJPSHVHNQU-UHFFFAOYSA-N
-rxn:4:201171:225423,CN(C)CCCCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,LVKBFZLSQMTKCS-UHFFFAOYSA-N
-rxn:4:201171:225479,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccccc3)c(F)c2)cc1)C12CC3CC(CC(C3)C1)C2,UQUHJBLUPFPRNG-UHFFFAOYSA-N
-rxn:4:201171:225480,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccc(F)cc3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,CGWDOMAXSOHZFA-UHFFFAOYSA-N
-rxn:4:201171:225484,O=C(N1CCN=C1SCc1ccc(-c2cccc(-c3ccc(Cl)cc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,ANXWRTLNMJVCIB-UHFFFAOYSA-N
-rxn:4:201171:225559,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCC3CCOC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,MRVCNWSWCFXACR-UHFFFAOYSA-N
-rxn:4:201171:225692,O=C(N1CCN=C1SCc1ccc(-c2cncc(-c3cccc(Cl)c3)c2)cc1)C12CC3CC(CC(C3)C1)C2,VUUURMRMONJPRQ-UHFFFAOYSA-N
-rxn:4:201171:225757,COC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C(C)C)n1,DFZNSZJALONASQ-UHFFFAOYSA-N
-rxn:4:201171:225932,CN(C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C(F)(F)F,IFIQNMVWOYXHHR-UHFFFAOYSA-N
-rxn:4:201171:226060,O=C(N1CCN=C1SCc1ccc(-c2cc(C3CC3)cc(C3CC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,QNVQSAPUPYOJLE-UHFFFAOYSA-N
-rxn:4:201171:226172,Cc1ccc(N2CCCC2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,FCHAEEDLIDWELG-UHFFFAOYSA-N
-rxn:4:201171:226195,Cc1cccc(-c2csc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)c1,GARPFUAWYXKEOH-UHFFFAOYSA-N
-rxn:4:201171:226202,CCc1nn(C)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc12,QGKMUTVJSKXGFC-UHFFFAOYSA-N
-rxn:4:201171:226213,COc1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12,QQIIYUIECANRSH-UHFFFAOYSA-N
-rxn:4:201171:226300,CCCC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,YOUCDBFNYFFDKS-UHFFFAOYSA-N
-rxn:4:201171:226510,CC(C)COc1nccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1Cl,MWSJASPLSSDTPU-UHFFFAOYSA-N
-rxn:4:201171:226574,CN(C)C(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl,LOAXEQQOBYFCIM-UHFFFAOYSA-N
-rxn:4:201171:226627,Cc1nn(-c2cccnc2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,GMMHECLENQPGHN-UHFFFAOYSA-N
-rxn:4:201171:226673,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)ccc2-n2ccnc2)cc1)C12CC3CC(CC(C3)C1)C2,DOVWZBNSPNKNTG-UHFFFAOYSA-N
-rxn:4:201171:226701,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccsc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,WZYGXEQXQLUNEP-UHFFFAOYSA-N
-rxn:4:201171:226787,Cc1nc(-n2ccnc2)ncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,MGULOMJXXGYYNN-UHFFFAOYSA-N
-rxn:4:201171:226842,O=C(c1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1)C(F)(F)F,SGLSWXSJODIRKS-UHFFFAOYSA-N
-rxn:4:201171:226843,O=C(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1)C(F)(F)F,JNSZOGRKFJUVDN-UHFFFAOYSA-N
-rxn:4:201171:226913,CCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CC2)c1,JEAQIHARVODNFZ-UHFFFAOYSA-N
-rxn:4:201171:226930,Cc1cccc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cnc12,BWUQAPHWIRPJSJ-UHFFFAOYSA-N
-rxn:4:201171:226936,Cc1cncc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc12,AASNLEOPRLONLV-UHFFFAOYSA-N
-rxn:4:201171:226957,Cc1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12,FASNQSSVOLSYIT-UHFFFAOYSA-N
-rxn:4:201171:226958,Cc1ccc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2n1,ZPLPQIJFQZKKOH-UHFFFAOYSA-N
-rxn:4:201171:227048,CC(C)C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,BWZMTXDSTVALRU-UHFFFAOYSA-N
-rxn:4:201171:227265,CCOCc1cc(F)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,YIUHFRVCHHVVCY-UHFFFAOYSA-N
-rxn:4:201171:227277,CN(C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C#N,SAZATULDGWLLLF-UHFFFAOYSA-N
-rxn:4:201171:227318,CC(C)Cc1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,MRFSLVUHWQAHFS-UHFFFAOYSA-N
-rxn:4:201171:227665,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1C(F)(F)F,VMEWLAIXCKGQMM-UHFFFAOYSA-N
-rxn:4:201171:227879,N#CCCc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,RPDHCTPMHHKDKR-UHFFFAOYSA-N
-rxn:4:201171:227880,N#CCCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,AURXYCZWAJXXLF-UHFFFAOYSA-N
-rxn:4:201171:227881,CCCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,HTTFSBBWQZJFOU-UHFFFAOYSA-N
-rxn:4:201171:227897,N#CC=Cc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,QPDYDARDKLKCLP-UHFFFAOYSA-N
-rxn:4:201171:227972,O=C(N1CCN=C1SCc1ccc(-c2cncc(C3CCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,PYUHEXMLEHVCMR-UHFFFAOYSA-N
-rxn:4:201171:228017,O=C(N1CCN=C1SCc1ccc(-c2cc(C3CC3)ccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,JKWYQHXUBAPUMC-UHFFFAOYSA-N
-rxn:4:201171:228088,CCCSc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,SGRFILJZZBJUPG-UHFFFAOYSA-N
-rxn:4:201171:228591,CC(C)c1cnccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,NDXHPWXKYUYDGR-UHFFFAOYSA-N
-rxn:4:201171:228633,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1Cl,PZQRIFBBGIYQMA-UHFFFAOYSA-N
-rxn:4:201171:228711,Cc1cnc(C#N)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,JQXQFUAODJSACZ-UHFFFAOYSA-N
-rxn:4:201171:228885,N#Cc1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F,OIOINIDIRYJGOY-UHFFFAOYSA-N
-rxn:4:201171:229020,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)n1,KYWFOKNBPNOMDA-UHFFFAOYSA-N
-rxn:4:201171:229026,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)cn1,BJLUWQPATRLSSV-UHFFFAOYSA-N
-rxn:4:201171:229171,Cc1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)n1,ASULEAHWCIBYLI-UHFFFAOYSA-N
-rxn:4:201171:229172,Cc1ncnc(Cl)c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,DBSARLMTWXZVGF-UHFFFAOYSA-N
-rxn:4:201171:229208,Cc1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,BKDNIUMYKWYTKE-UHFFFAOYSA-N
-rxn:4:201191:222467,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)ccc2OC3c2ccc(C(C)C)cc2)cc1,IAKZFISUHHGRPG-UHFFFAOYSA-N
-rxn:4:201224:223659,COC(=O)c1nn(CC(F)F)cc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,HWPXVCWORSUXEG-UHFFFAOYSA-N
-rxn:4:201379:226708,CC(=O)n1nc(C)c(-c2cc(C3OCCO3)ccc2Cl)c1C(F)(F)C(F)(F)C(F)(F)F,HJLVOSLXOZHTLP-UHFFFAOYSA-N
-rxn:4:201576:223753,Cc1ccc(-c2cccc(S(=N)(=O)CC(=O)N3CCC3)c2)cc1OCCCN1CCN(C)CC1,JTDOSOZDZPDNJZ-UHFFFAOYSA-N
-rxn:4:201621:224666,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1,LQCVAKHXJOYECI-UHFFFAOYSA-N
-rxn:4:201621:224667,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)cc1,RWMLTAFWOHMFAF-UHFFFAOYSA-N
-rxn:4:201683:222636,CC(C)c1nc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cn1C(=O)OC(C)(C)C,IWKNBJOUVOJAEN-MRXNPFEDSA-N
-rxn:4:201733:224570,COC(=O)c1cc(-c2ccc(C(C)N3CCN(C)CC3)cc2)nn1CC1CCCCC1,KDDDLDZIMVXNDS-UHFFFAOYSA-N
-rxn:4:201746:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccnc3OC3CCN(S(=O)(=O)C4CC4)C3)c2)CC1,MSBGMPYFSNCOJB-UHFFFAOYSA-N
-rxn:4:201746:224552,O=S(=O)(C1CC1)N1CCC(Oc2ncccc2-c2cc(F)cc(COC3CCCCC3)c2)C1,DZYTYCXEWTXWLZ-UHFFFAOYSA-N
-rxn:4:201772:224022,COC(=O)CC1CCCCN1c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1,YQXSELOGIHTHMH-UHFFFAOYSA-N
-rxn:4:201773:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1F,HEUDTHIAVHXWQU-UHFFFAOYSA-N
-rxn:4:201774:222910,CCCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)cs2)c(C)c1,AREXCPNPTGBRDO-IBGZPJMESA-N
-rxn:4:201775:222910,CCCNS(=O)(=O)c1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)c(C)c1,XPTFXHFRDIQEKH-UHFFFAOYSA-N
-rxn:4:201786:223645,CCOC(=O)C1CCN(c2ncccc2-c2cccc(C(=O)N3CCCC(C(=O)OCC)C3)c2)CC1,GOMHYFQBUNWRNP-UHFFFAOYSA-N
-rxn:4:201823:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)cc2)CC1,PUIGHDQIJMXBBN-UHFFFAOYSA-N
-rxn:4:201908:223697,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)C1,FUJVALJDMMMTLA-UHFFFAOYSA-N
-rxn:4:201908:226019,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3ccc(F)cc3OCC(F)(F)F)cc2)C1,QNEMINQJDCVUQM-UHFFFAOYSA-N
-rxn:4:201932:224754,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3S(=O)(=O)N3CCCCC3)ccn2)C1,JVLKGRJEQGPXHS-UHFFFAOYSA-N
-rxn:4:201933:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,DVVHTLZIDDYXRO-UHFFFAOYSA-N
-rxn:4:201940:222634,CCN1CCN(C(=O)c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2OC)CC1,CIMSQLWFWBTZOV-UHFFFAOYSA-N
-rxn:4:201997:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccncc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1,HLGYVGMNXGWIBD-UHFFFAOYSA-N
-rxn:4:201999:223482,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,XDGVENOQBFYVGP-UHFFFAOYSA-N
-rxn:4:202004:223007,CCOc1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,BSOGIGKPXYFXMN-UHFFFAOYSA-N
-rxn:4:202018:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5CCOCC5)nc4C(=O)OC(C)(C)C)c3)cccc12,YLDIHCFBINBJGJ-UHFFFAOYSA-N
-rxn:4:202035:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5ccncc5)CC4)cc3)cc2F)CC1,WKJSJAVGRDJDMN-UHFFFAOYSA-N
-rxn:4:202038:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC(Oc5ccncc5)C4)cc3)cc2F)CC1,AOIWFZAQIXISPA-UHFFFAOYSA-N
-rxn:4:202046:222684,O=C(c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1Cl)N1CCC(Oc2ccncc2)CC1,MRZPQUXCBQDEQO-UHFFFAOYSA-N
-rxn:4:202061:223882,Cc1cccc2c1cc(-c1cccc(CC3CCN(C(=O)C(C)(C)C)C3)n1)n2C(=O)OC(C)(C)C,ZBMOEQYKFHQRHG-UHFFFAOYSA-N
-rxn:4:202068:224328,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,BTSSJXCQYQFDFM-UHFFFAOYSA-N
-rxn:4:202069:223578,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)C1,SJFDKEJTPJJTOP-UHFFFAOYSA-N
-rxn:4:202098:225731,CCOC(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(OC)c1,BPTKYUAXFZIFNF-UHFFFAOYSA-N
-rxn:4:202117:222856,COc1ccc(C2CCNCC2)cc1-c1cnccc1OC1CCN(CC2CCCCO2)C1,RSYZIMJZHXUOKE-UHFFFAOYSA-N
-rxn:4:202121:223573,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,RILOLAWHDUYSRU-UHFFFAOYSA-N
-rxn:4:202128:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cncc(N3CCC(C(=O)OC(C)(C)C)CC3)c2Cl)cc1,JCVUXHBQXBQSJN-UHFFFAOYSA-N
-rxn:4:202146:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(F)c2F)CC1,STGHLDKSVILQBG-UHFFFAOYSA-N
-rxn:4:202152:222923,Cc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1S(=O)(=O)NC1CC1,PPYPBOYCDYYKPE-UHFFFAOYSA-N
-rxn:4:202164:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(OC)cc3C)c2)CC1,QLHAQKRDNUUKRS-UHFFFAOYSA-N
-rxn:4:202164:225432,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(COC4CCCC4)c3)c(C)cc2OC)CC1,CNGZPGPSOFGECT-UHFFFAOYSA-N
-rxn:4:202166:225715,COCCOCc1cc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)ccc1F,ILUAHLQJYAJDLS-UHFFFAOYSA-N
-rxn:4:202167:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)c1,VLSHJXQZFJZZKF-UHFFFAOYSA-N
-rxn:4:202168:225723,CN(C)CCOc1ccc(-c2ccc(CN3CCOC(C(=O)N4CCCC4)C3)cc2)cc1Cl,MOYQDHIRQJUFRY-UHFFFAOYSA-N
-rxn:4:202185:222540,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)=NC2(C)C)cc1,WHJKPMPRHPNHGQ-UHFFFAOYSA-N
-rxn:4:202197:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCOC(C(=O)N6CCSCC6)C5)cc4)c3)cccc12,VGMJHJOLAOWPSN-UHFFFAOYSA-N
-rxn:4:202242:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)cc3)ccc2F)CC1,POXLFSSLBODORM-UHFFFAOYSA-N
-rxn:4:202250:222540,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c(F)c2)CC1,ZJDMVEXAZNFNOM-UHFFFAOYSA-N
-rxn:4:202257:223606,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1)c1nc(-c2ccccc2)oc1N1CCOCC1,XIGUMVJSVKKCPF-UHFFFAOYSA-N
-rxn:4:202268:227576,CCOc1c(Cl)cc(F)cc1-c1ccccc1CN1CCOC(C(=O)N2CCCCC2)C1,OYIGSBCAMOVZBO-UHFFFAOYSA-N
-rxn:4:202297:225326,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)cc2OC)c([N+](=O)[O-])c1,HJSFRHIUNHFENL-UHFFFAOYSA-N
-rxn:4:202328:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,LGQUSXSJYYVZTC-UHFFFAOYSA-N
-rxn:4:202328:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,CPEOKVVQCAMLIB-UHFFFAOYSA-N
-rxn:4:202328:223076,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)NC4CC4)c3)CC2)CC1,NEMKMFXFKDKDIW-UHFFFAOYSA-N
-rxn:4:202328:223101,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)ccc1OC,GRJASCPHDMATEU-UHFFFAOYSA-N
-rxn:4:202328:227837,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C4CC4)c3)CC2)CC1,LCERHIKWSJIHOA-UHFFFAOYSA-N
-rxn:4:202346:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCCCC3)cc1,PATRIOABWARLAB-UHFFFAOYSA-N
-rxn:4:202379:223559,COC(=O)c1nn2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cccc2c1C(=O)OC,IOWLSYPOVHAZFX-UHFFFAOYSA-N
-rxn:4:202459:223606,O=C(OCc1ccccc1)N1CCc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cnc21,PUMCSLNOFXMKON-UHFFFAOYSA-N
-rxn:4:202594:223644,CCOC(=O)c1cnc2c(-c3ccc(C(=O)N4CCCC(C(=O)OCC)C4)cc3)cccc2c1N1CCCCC1,OXDWFGAKPBOXQB-UHFFFAOYSA-N
-rxn:4:202663:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCOC(c5ccccc5)C4)c3)ccc2F)CC1,MUCSFBXEIRAMDP-UHFFFAOYSA-N
-rxn:4:202677:222725,CCNS(=O)(=O)c1ccc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(C(F)(F)F)c1,RWJSDFPDIOCFAA-UHFFFAOYSA-N
-rxn:4:202677:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)CC1,OEFMQOSSACRKIV-UHFFFAOYSA-N
-rxn:4:202680:223836,COc1ncnc2c1cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1Cl)n2C(=O)OC(C)(C)C,CJRUMGBMBVMKOQ-UHFFFAOYSA-N
-rxn:4:202681:223836,COc1ncnc2c1cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1F)n2C(=O)OC(C)(C)C,LWYMNOCCMSLNAC-UHFFFAOYSA-N
-rxn:4:202692:228741,COc1ccc(-c2cc(C#N)ccc2Cl)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,FRXWWYQTIPSVCN-UHFFFAOYSA-N
-rxn:4:202698:227550,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(OCC)c(Cl)c3F)ccc21,YPQIOVFPJVBMJH-UHFFFAOYSA-N
-rxn:4:202707:223179,CONC(=O)c1cc(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)ccc1F,OBBFKHZQSJAIJT-UHFFFAOYSA-N
-rxn:4:202707:223561,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N(C(=O)OC(C)(C)C)c5ccccc5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,NMOFCTJFBRNQIY-UHFFFAOYSA-N
-rxn:4:202707:223669,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,HCUUMTODZZMIKC-UHFFFAOYSA-N
-rxn:4:202707:224182,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCOCC5)c(C)c4)cc3F)C3CS(=O)(=O)CC32)c1,UBSAEXQVSKDLFM-UHFFFAOYSA-N
-rxn:4:202707:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)c(F)c2)CC1,PEBQWMCOWZOHQS-UHFFFAOYSA-N
-rxn:4:202707:225827,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,UNNLBDCFZTZVIS-UHFFFAOYSA-N
-rxn:4:202729:223038,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(Cl)c(C(=O)NC(C)C)c3)ccc21,HKWRDRJFQGTGAR-UHFFFAOYSA-N
-rxn:4:202744:223697,O=C(C(=O)N1CCCc2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)ccc21)c1c(-c2ccccc2)[nH]c2ccccc12,USTQIWXRZZURPP-UHFFFAOYSA-N
-rxn:4:202750:222684,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,NGCMLRWDYKFHNF-UHFFFAOYSA-N
-rxn:4:202761:225047,COc1ccc(C2C3C(=O)N(c4ccc(-c5cnc(N6CCC(C)CC6)c(C)c5)cc4)C(=O)C3ON2c2ccccc2C)cc1,GZGLSQUUANEZNY-UHFFFAOYSA-N
-rxn:4:202778:223880,CCn1c2c(c3cc(-c4cc5cc(C)ccc5n4C(=O)OC(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,FLEUNOPZYYROKD-UHFFFAOYSA-N
-rxn:4:202807:223880,Cc1ccc2c(c1)cc(-c1ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc1)n2C(=O)OC(C)(C)C,GQWBUTHGKYAECS-UHFFFAOYSA-N
-rxn:4:202807:224881,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(CN3CCCCCC3)c2)cc1,QRBGWPQYSISDCO-UHFFFAOYSA-N
-rxn:4:202807:225228,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCN(C)CC3)cc2F)cc1,QZUQOZIQWHTCII-UHFFFAOYSA-N
-rxn:4:202807:226118,CCC(C)Oc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1C,JLDMEUYOOWMTMA-UHFFFAOYSA-N
-rxn:4:203222:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)nc2)c1,DSMYHKBGVPKDQB-UHFFFAOYSA-N
-rxn:4:203410:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CC(CF)C2)c(C(F)(F)F)c1,LWCJNSUALSBOAB-UHFFFAOYSA-N
-rxn:4:203545:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CC(N5C(=O)CSC5=O)C4)o3)cc2F)CC1,KKNZLVOOZVFYHA-UHFFFAOYSA-N
-rxn:4:203596:222695,Cc1ccc(-c2ccc([N+](=O)[O-])c(CN3CCC(F)(F)C3)c2)cc1S(=O)(=O)NC1CCCC1,GSTMQTWAGYYWCV-UHFFFAOYSA-N
-rxn:4:203708:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1,IKNWHRPTLWWEIH-UHFFFAOYSA-N
-rxn:4:203709:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(N6C(=O)COC6=O)C5)o4)c3)cccc12,ULZWZQRRMLCYDA-UHFFFAOYSA-N
-rxn:4:203757:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KQHFUUYJOCDJBO-UHFFFAOYSA-N
-rxn:4:203775:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(OC)CC2)c1,CYRFLIHCSCWBQN-UHFFFAOYSA-N
-rxn:4:203786:222828,O=C(c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1)N1CC(N2C(=O)CCC2=O)C1,NKXNIERDPAQMHK-UHFFFAOYSA-N
-rxn:4:203804:224371,COC(=O)C1CCN(c2ncc(-c3cncc(CC4CCCN(C(C)=O)C4)c3)cn2)CC1,HALZCPOYNTYYGP-UHFFFAOYSA-N
-rxn:4:203830:224677,CCN1CCN(C(=O)c2c(F)cc(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)cc2F)CC1,UOEOLQRWPINUBN-UHFFFAOYSA-N
-rxn:4:203833:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(N6C(=O)CSC6=O)CC5)o4)c3)cccc12,QZRMTCBSXPEDAF-UHFFFAOYSA-N
-rxn:4:203841:223681,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc2cc([N+](=O)[O-])ccc21,SKPAWKVGVJBSBJ-UHFFFAOYSA-N
-rxn:4:203895:224170,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(OCCCN3CCCC3)c(Cl)c2)CC1,UCKHOPHCOPLBKO-UHFFFAOYSA-N
-rxn:4:203903:225157,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCSCC4)c3)cc2F)CC1,SXNBQOFRMYATIJ-UHFFFAOYSA-N
-rxn:4:203903:225160,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCCC4)c3)cc2F)CC1,FLPGEGLGUPPSLU-UHFFFAOYSA-N
-rxn:4:203903:225161,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cc2F)CC1,SIVQZFHJLBDYLT-UHFFFAOYSA-N
-rxn:4:203903:225167,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCC4)c3)cc2F)CC1,OWCVHXGJERXXHZ-UHFFFAOYSA-N
-rxn:4:203903:225217,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC(C)C4)cc3F)cc2F)CC1,CQGWCDIZYPZIRB-UHFFFAOYSA-N
-rxn:4:203903:225218,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2F)CC1,UPLUMFSSZKGVGX-UHFFFAOYSA-N
-rxn:4:203903:225221,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC(C)C4)ncc3F)cc2F)CC1,NNRILGVARZLASW-UHFFFAOYSA-N
-rxn:4:203903:225223,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C)CC4)cc3F)cc2F)CC1,WAAPHKJKNNWNOY-UHFFFAOYSA-N
-rxn:4:203903:225227,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc2F)CC1,SKXIFXJDPYJKRG-UHFFFAOYSA-N
-rxn:4:203903:225228,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)cc3F)cc2F)CC1,CXKPIVZVWZSOCO-UHFFFAOYSA-N
-rxn:4:203903:225232,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCC(C)CC4)c3)cc2F)CC1,ZUNWHWSUQJNFRS-UHFFFAOYSA-N
-rxn:4:203903:225233,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCCC(C)C4)c3)cc2F)CC1,LQOHTIYDXUNCOW-UHFFFAOYSA-N
-rxn:4:203912:223040,CCN1C(=O)C(=Cc2cc(-c3ccc(C(=O)NC4CC4)c(F)c3)cc(Cl)c2OC)N(C)C1=S,MRPMBPPGSQPAMB-UHFFFAOYSA-N
-rxn:4:203935:225227,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,UYHAOGYQHHUDTR-UHFFFAOYSA-N
-rxn:4:203937:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,WLCKPUVCLGDAIG-UHFFFAOYSA-N
-rxn:4:203938:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)cc1,TZIXKGWUCDMIIO-UHFFFAOYSA-N
-rxn:4:203939:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,QEABVUZAGDUFDX-UHFFFAOYSA-N
-rxn:4:203939:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,OUFLMBCIYQWNPS-UHFFFAOYSA-N
-rxn:4:203940:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,FYUIGYQBVABGFR-UHFFFAOYSA-N
-rxn:4:203940:225223,CC1CCN(c2cc(F)c(-c3ccccc3N3CCN(S(=O)(=O)C4CC4)CC3)cn2)CC1,AGCBXRGVYPEWHP-UHFFFAOYSA-N
-rxn:4:203985:224572,CC1CCCN(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)c(C#N)c2)C1,UXBQAAFBRWNYAY-UHFFFAOYSA-N
-rxn:4:203987:228203,CC(C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c(Cl)n1,JMCPQHLUYUARNP-UHFFFAOYSA-N
-rxn:4:204019:224421,CC(C)c1cc(C(C)C)c(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)c(C(C)C)c1,YDZVAXMRYLTNGI-UHFFFAOYSA-N
-rxn:4:204025:222723,CN1CCN(Cc2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2S(C)(=O)=O)CC1,LZKPZCHIXLSJDN-UHFFFAOYSA-N
-rxn:4:204026:224065,CC1CCN(c2cc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cc(C3CC3)c2)CC1,FINAXTZXPRKTSQ-UHFFFAOYSA-N
-rxn:4:204028:222819,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc(NC(=O)N3CCOCC3)nc2)c1,BCFMASMCNGPTPG-SFHVURJKSA-N
-rxn:4:204046:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4S(=O)(=O)N4CCC(N5C(=O)CSC5=O)CC4)c3)cccc12,LXTFTUDBAWDGTC-UHFFFAOYSA-N
-rxn:4:204051:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(F)cc5)C4=S)cc3)cc2)CC1,BZJMJZVFAKEVAM-UHFFFAOYSA-N
-rxn:4:204055:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSC3)CC2)o1,JZHKRLZIDUMSIO-UHFFFAOYSA-N
-rxn:4:204079:224198,CCN1CCN(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN=C4c4ccccc4)cc3C)c(F)c2)CC1,RGWZHRRWGSVSDH-UHFFFAOYSA-N
-rxn:4:204080:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCN=C3c3ccccc3)c2)CC1,GRFBBHPLKOJSFA-UHFFFAOYSA-N
-rxn:4:204093:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cncc(CC3CCCN(C(C)C)CC3)c2)cc1,DTQLXSMYLRRGGS-UHFFFAOYSA-N
-rxn:4:204099:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCOCC5)c(N5CCOCC5)c4)c3)cccc12,ZZLMWDXARALKIR-UHFFFAOYSA-N
-rxn:4:204101:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(C(=O)N5CCC(N6CCCC6)CC5)c4)c3)cccc12,IKYFCYHSVPVKSL-UHFFFAOYSA-N
-rxn:4:204103:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(N6CCCC6)CC5)cc4)c3)cccc12,AQYSYAGBZVYDOD-UHFFFAOYSA-N
-rxn:4:204103:225998,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc([N+](=O)[O-])c1,BTKUXHADULWKKA-UHFFFAOYSA-N
-rxn:4:204109:225569,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1C1CC1,IIBBVSIFTHWPSY-UHFFFAOYSA-N
-rxn:4:204109:227915,CCOc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1C,FYONSOBBYNKXLQ-UHFFFAOYSA-N
-rxn:4:204125:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)c(Cl)c5)CC4)cc3)c(F)c2)CC1,XRWILVLTXWYHGK-UHFFFAOYSA-N
-rxn:4:204129:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5=NC6(CCCC6)N(C(=O)c6ccc(Cl)cc6)C5=S)cc4)c3)cccc12,VDHQAYGYYKYYLN-UHFFFAOYSA-N
-rxn:4:204135:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccn1)C(F)(F)F,PDDYJTBNMDQJEP-UHFFFAOYSA-N
-rxn:4:204157:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3)c2)CC1,ARZZLDFRAOVJCU-UHFFFAOYSA-N
-rxn:4:204163:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5C(=S)C(c6ccccc6)=NC56CCCCC6)cc4)c3)cccc12,VSTYAGIZFOJKBS-UHFFFAOYSA-N
-rxn:4:204172:225386,CC1CCN(Cc2ccc(-c3cc(F)c(C(F)(F)F)cc3[N+](=O)[O-])cc2N2CCCCC2)CC1,XLNGBGKWASRPJB-UHFFFAOYSA-N
-rxn:4:204172:226778,COc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)c(F)c(F)c1OC,NAJPECKBRRIPOJ-UHFFFAOYSA-N
-rxn:4:204175:225776,CCCc1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc(C(F)(F)F)c1,ZRWLPJHGLHLFIG-UHFFFAOYSA-N
-rxn:4:204176:223810,Cc1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,QEBOVZFIAZEQJG-UHFFFAOYSA-N
-rxn:4:204176:225723,CN(C)CCOc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1Cl,GXRHQBXGNBPZCH-UHFFFAOYSA-N
-rxn:4:204177:226844,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,OJYANALFKLLCHT-UHFFFAOYSA-N
-rxn:4:204460:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4ccn(C(=O)OC(C)(C)C)c4c3)cc21,IPBATSNCWCJWSD-UHFFFAOYSA-N
-rxn:4:204514:222647,Cc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(C)cc1NC(=O)OC(C)(C)C,XVKOVPWGMKTICT-UHFFFAOYSA-N
-rxn:4:204681:222729,CCCc1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc(C2CCCNC2)n1,ZIUQOGQUDBKQHY-UHFFFAOYSA-N
-rxn:4:204683:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)c2)C1,RSUJNJOQKKGJCV-UHFFFAOYSA-N
-rxn:4:204719:222439,CCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)ccc21,VZFGDVHRNPQKLP-UHFFFAOYSA-N
-rxn:4:204722:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)c1,XNGWQHIPGLTGRL-UHFFFAOYSA-N
-rxn:4:204722:223195,CC(C)NCc1ccc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)cc1,AAAQSANKGGRFSN-UHFFFAOYSA-N
-rxn:4:204764:223421,CNC(C)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)s1,LOKDWUZRTMAQBK-UHFFFAOYSA-N
-rxn:4:204764:229101,Cc1ccnc(Cl)c1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,CKGFBDZXBDGENM-UHFFFAOYSA-N
-rxn:4:204779:222684,O=C1N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)c2ccccc2S(=O)(=O)N1c1cc(F)ccc1F,VWVHWNHOFUUKHM-UHFFFAOYSA-N
-rxn:4:204796:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5C=C(C(=O)N6CCCC6)S(=O)(=O)c6ccc(Cl)cc65)cc4)c3)cccc12,BDUMLAYNEDMEQO-UHFFFAOYSA-N
-rxn:4:204808:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5C=C(C(=O)N6CCOCC6)S(=O)(=O)c6ccc(Cl)cc65)cc4)c3)cccc12,CVFZXWMSVZVIQD-UHFFFAOYSA-N
-rxn:4:204833:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3C)cc2)CC1,PXURZNMBPKMESE-UHFFFAOYSA-N
-rxn:4:204846:225876,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cc(Cl)ccc4N4CCOCC4)cc3F)C3CS(=O)(=O)CC32)c1,XWZFWIXYUWVVHJ-UHFFFAOYSA-N
-rxn:4:204846:226844,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,YETHIWJDLSKYKI-UHFFFAOYSA-N
-rxn:4:204864:224976,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(N2CCCCC2)c1C#N,WWKBCGZOJSZNOC-UHFFFAOYSA-N
-rxn:4:204867:224683,CC1CCN(C(=O)C2=CN(c3cccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,ZVSDZHJHUUCKFI-UHFFFAOYSA-N
-rxn:4:204874:225318,O=C1C2C(c3ccc(-c4c(F)cc(N5CCOCC5)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,RMNOFULJIUAZQM-UHFFFAOYSA-N
-rxn:4:204895:222758,Cc1cc(-c2ccc3[nH]c4c(c3c2)CCN(C(=O)OC(C)(C)C)C4)ccc1NC(=O)OC(C)(C)C,JUKSAHCTNTWOQL-UHFFFAOYSA-N
-rxn:4:204900:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c6c(cccc46)C(=O)N(CCN4CCOCC4)C5=O)c3)cccc12,FXDYUPBXZYMLPY-UHFFFAOYSA-N
-rxn:4:204900:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O,FTTXVWSPJFKMJJ-UHFFFAOYSA-N
-rxn:4:205133:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ncc(C(F)F)cc1[N+](=O)[O-],COGJVSFWGPGZOR-UHFFFAOYSA-N
-rxn:4:205703:223755,Cc1c(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-],MOJVWFVVAGGCAS-UHFFFAOYSA-N
-rxn:4:205957:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CC(F)(F)C4)c([N+](=O)[O-])c3)cc2Cl)CC1,VIFIPHZWZDHJNC-UHFFFAOYSA-N
-rxn:4:206586:223712,COc1ccc(-c2ccc(N3CCOCC3)c(OC)n2)cc1C12CC3CC(CC(C3)C1)C2,PTARUTRWEMQZEO-UHFFFAOYSA-N
-rxn:4:206626:223531,Cc1cc(C)c(S(=O)(=O)n2cccn2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,PNGKDQQRWMNJLR-UHFFFAOYSA-N
-rxn:4:206639:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(F)(F)CC4)cc3C#N)c2)C1,OGONDYXRBHECDO-UHFFFAOYSA-N
-rxn:4:206729:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,TYXRKVIJKXLBRV-UHFFFAOYSA-N
-rxn:4:206729:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,ZKWWOGCZDLYVGR-UHFFFAOYSA-N
-rxn:4:206735:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cnc3N3CCCCC3)c2)CC1,SLWFGLFFBGLSNY-UHFFFAOYSA-N
-rxn:4:206737:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)cc2)CC1,FZNPISCQTNIPFC-UHFFFAOYSA-N
-rxn:4:206778:223712,COc1ccc(-c2cccc(OC3CCN(C)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,VXSODMNRLMPVKZ-UHFFFAOYSA-N
-rxn:4:206844:223970,CC(=O)N1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,DOZPGAJDSOEXII-UHFFFAOYSA-N
-rxn:4:206912:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N(C)C4CCCC4)c(C)c3)c(F)cc2C)CC1,FOLIOGRGYSVNHO-UHFFFAOYSA-N
-rxn:4:206956:222607,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,MLRYYCPXNXWDIM-UHFFFAOYSA-N
-rxn:4:206959:222693,CS(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,NFGWWLZDDVMGKT-UHFFFAOYSA-N
-rxn:4:206962:222582,CS(=O)(=O)N1CCCC(c2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,ZQHJHWDXYKNQLI-UHFFFAOYSA-N
-rxn:4:206964:222693,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)CC1,YIELCIRURYHYTI-UHFFFAOYSA-N
-rxn:4:206964:224009,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,PQEMUZBAOHAQNJ-UHFFFAOYSA-N
-rxn:4:206977:222694,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2F)CC1,JSEPTLFIORXIEV-UHFFFAOYSA-N
-rxn:4:207017:222711,COc1ccc(-c2cc(C)c(C(=O)N3CCN(C)CC3)cc2Cl)cc1S(=O)(=O)NC(C)(C)C,INVZLGYDWQYDQH-UHFFFAOYSA-N
-rxn:4:207054:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)c(F)c(CN2CCN(C)CC2)c1,BRYOHPZGZVRPTI-UHFFFAOYSA-N
-rxn:4:207057:222724,Cc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,QJGUJKZTRSKIJR-UHFFFAOYSA-N
-rxn:4:207059:222724,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,PRXFGDFBIZUQIJ-UHFFFAOYSA-N
-rxn:4:207060:222826,CN1CCCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,OVFXXWHASPYZBQ-UHFFFAOYSA-N
-rxn:4:207061:222724,CN1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,HJYZDIWAADKYLP-UHFFFAOYSA-N
-rxn:4:207064:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,AHKGMRAKWSPYCO-UHFFFAOYSA-N
-rxn:4:207080:222899,CCCCNS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)cc1,OXESIMPBQVCRJM-UHFFFAOYSA-N
-rxn:4:207080:225723,CN(C)CCOc1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)cc1Cl,QYDCRALWLWAYCH-UHFFFAOYSA-N
-rxn:4:207081:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1Cl,ZMWMNRJLIOKQAJ-UHFFFAOYSA-N
-rxn:4:207081:223945,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c1)C2,RZEUMYVOGJOJQE-UHFFFAOYSA-N
-rxn:4:207081:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,MTKPSWCFOPIAQE-UHFFFAOYSA-N
-rxn:4:207090:226223,CCOCCOc1ccccc1-c1ccc(N2C(=O)CC(N3CCC(C)CC3)C2=O)cc1,GANBAVQIJLJYDK-UHFFFAOYSA-N
-rxn:4:207311:222466,COC(=O)c1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)nc2n1CCOC2,VZMVLAZUOGLMRF-UHFFFAOYSA-N
-rxn:4:207624:223567,CC(C)Oc1ccc2c(c1)cc(-c1cncc3c1CCN3C(=O)C(C)(C)C)n2C(=O)OC(C)(C)C,MYIGNHKAEPDDMY-UHFFFAOYSA-N
-rxn:4:207625:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3c[nH]c(C(=O)N4CCc5ccccc5C4)c3)c2)CC1,SZYFZYHXYKSCPD-UHFFFAOYSA-N
-rxn:4:207732:224153,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,GXAKMGDEQYFAST-UHFFFAOYSA-N
-rxn:4:207779:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,PFGXKRDSWMOFTA-UHFFFAOYSA-N
-rxn:4:207788:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)CC1,FLHFFLOIQARMRZ-ALLRNTDFSA-N
-rxn:4:207856:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,GXGPKRRMERYOEY-UHFFFAOYSA-N
-rxn:4:207959:223227,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)NC5CC5)s4)ccc2OC3C2CCCCC2)cc1,ACHIVAAAEVDSTP-UHFFFAOYSA-N
-rxn:4:207959:225656,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(N5CCCCC5C)c4)ccc2OC3C2CCCCC2)cc1,JRPOZRWUNCLXPP-UHFFFAOYSA-N
-rxn:4:210406:223597,COc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)nc2n1CCOC2,MUZCDBZUDMCZGW-UHFFFAOYSA-N
-rxn:4:211033:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CC5CCCC5C4)c(C)c3)cc2)CC1,XQUQYZXYQQCWOM-UHFFFAOYSA-N
-rxn:4:211053:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)c4ccccc34)c(F)cc2C)CC1,WZRUPUCPJKTIKQ-UHFFFAOYSA-N
-rxn:4:211271:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(C)n(C)c1C,SUAMUQHMJVXQII-UHFFFAOYSA-N
-rxn:4:212523:225312,CN1CCCN(c2ncc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)cn2)CC1,ZBZVIOOFRCBMQC-UHFFFAOYSA-N
-rxn:4:212542:223044,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)NC(C)C)c(F)c3)cn2)C1,ZBOZVECADUPYCC-UHFFFAOYSA-N
-rxn:4:212542:224755,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,OMNLSSWLOTUEOZ-UHFFFAOYSA-N
-rxn:4:212547:224627,CCOCCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cn2)CC1,UTXAXGORMSIPAB-UHFFFAOYSA-N
-rxn:4:212549:223093,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3cncc(NS(=O)(=O)C(C)C)c3)c2)CC1,NHLKBSRPTGWAKP-UHFFFAOYSA-N
-rxn:4:212556:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)CSc5ccc(F)cc5)C4)nc3)ccc2F)CC1,UFIMBNAEIZREBR-UHFFFAOYSA-N
-rxn:4:212568:223279,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,BSHPSHWLUFPZJN-UHFFFAOYSA-N
-rxn:4:212571:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)cc1,PKVWLTNPRNBZFM-UHFFFAOYSA-N
-rxn:4:212587:224462,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1,AHEKRIZEXPJTCH-UHFFFAOYSA-N
-rxn:4:212587:224820,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,AWYNMUGWEDYPMB-UHFFFAOYSA-N
-rxn:4:212593:224280,CN(C(=O)c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)nc1)C1CN(C(=O)OC(C)(C)C)C1,LZNSWNJIIOZACX-UHFFFAOYSA-N
-rxn:4:212603:225535,CCN(CC)Cc1cc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl,WOOHRGRUMJTGPX-UHFFFAOYSA-N
-rxn:4:212604:222424,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)cc1[N+](=O)[O-],BTEXLNQROSGZAY-UHFFFAOYSA-N
-rxn:4:212609:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)cc12,VDACGHSMCXSLOC-UHFFFAOYSA-N
-rxn:4:212649:224759,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,WUYHTNWFYHPVHW-UHFFFAOYSA-N
-rxn:4:212649:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1Cl,LVBJMMYURNDNJA-UHFFFAOYSA-N
-rxn:4:212650:222948,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,NRMYJOSZOGPROH-UHFFFAOYSA-N
-rxn:4:212650:225875,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,NBFBEZIJHJWKHL-UHFFFAOYSA-N
-rxn:4:212650:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1Cl,FSGGWYYFQLQDRL-UHFFFAOYSA-N
-rxn:4:212656:223938,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c1,WWRIBAIKQPBRPU-UHFFFAOYSA-N
-rxn:4:212662:222709,COc1ccc(CN2CCCC(COc3ncc(-c4cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c4)cn3)C2)cc1,UKYPSWFWGXCCKC-UHFFFAOYSA-N
-rxn:4:212666:224396,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)CC2)cc1,RUPXXVIOAGRUJY-UHFFFAOYSA-N
-rxn:4:212667:222442,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cn3)C2)cc1,NHWPXHVVEAOLFB-UHFFFAOYSA-N
-rxn:4:212682:222684,O=C(CSc1ncc(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)n1-c1cccc(Cl)c1)N1CCCC1,DQEJROHMTCRBJD-UHFFFAOYSA-N
-rxn:4:212685:225636,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCC(C)CC5)c4)cc3)CC2)c([N+](=O)[O-])c1,UJVRLGSZDHCSSG-UHFFFAOYSA-N
-rxn:4:212709:226844,CCOC(=O)c1c(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,CKGGPYRFMIRTBL-UHFFFAOYSA-N
-rxn:4:212711:222684,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)nn1,JXCHOXLEOSIDJH-UHFFFAOYSA-N
-rxn:4:212722:223482,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C(=O)N2CCN(C)CC2)cc1,HXFHDXXLWXFMHD-UHFFFAOYSA-N
-rxn:4:212734:226844,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,PFDUEWXTYQJWKI-UHFFFAOYSA-N
-rxn:4:212737:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,FNBKYJJRKVLAEL-UHFFFAOYSA-N
-rxn:4:212756:222632,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)ccc21,WFPIFVIHIJBLKX-UHFFFAOYSA-N
-rxn:4:212778:226844,Cn1c(=NC(=O)CSCC(=O)N2CCCC2)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,BLYNGTSCCKAMGF-UHFFFAOYSA-N
-rxn:4:212783:224753,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc32)CC1,WPOWPQJRTXFLSZ-UHFFFAOYSA-N
-rxn:4:212840:222718,Cc1ccc(C2CC(c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)=NN2C(=O)CSc2cn(C)c3ccccc23)cc1,LGWDEFQVCXYXCF-UHFFFAOYSA-N
-rxn:4:212846:223835,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,IHCDZRBAAKZXRX-UHFFFAOYSA-N
-rxn:4:212846:224198,CCN1CCN(Cc2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c(F)c2)CC1,VTPYQSDYEZKZQQ-UHFFFAOYSA-N
-rxn:4:212892:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1,QFWNFZIWKHPTAW-UHFFFAOYSA-N
-rxn:4:212892:224718,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCN3CCOCC3)nc2)cn1)C1CC1,DNRHTUSVGGZTQM-UHFFFAOYSA-N
-rxn:4:212905:223883,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)n2)C1,MESCOHLJWMGLRT-UHFFFAOYSA-N
-rxn:4:212914:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cncc(C(=O)N3CC(Oc4ccnc(C(F)(F)F)c4)C3)c2)c1,VWKBADHROGRDPQ-UHFFFAOYSA-N
-rxn:4:212927:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OCc4nc(C#N)c(N5CCOCC5)o4)cc3)cnc2C1,JIQKZKCLSSIEQV-UHFFFAOYSA-N
-rxn:4:212927:223970,Cc1ccc(-c2ccc(OCc3nc(C#N)c(N4CCOCC4)o3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,USMWHEBGWMALQZ-UHFFFAOYSA-N
-rxn:4:212939:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1,BGHCOVIMSARBSI-UHFFFAOYSA-N
-rxn:4:212983:223753,Cc1ccc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)C3)nc2)cc1OCCCN1CCN(C)CC1,FZWKGHYJOBPKSH-UHFFFAOYSA-N
-rxn:4:212989:222568,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(=O)NCc4ccccc4F)cc3)s2)CC1,FAFLWTCBPAHGRW-UHFFFAOYSA-N
-rxn:4:212989:222581,CC(C)NS(=O)(=O)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c2ccccc12,DANMOHJGETWFMB-UHFFFAOYSA-N
-rxn:4:212989:223109,CC(NC1CC1)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,XUFAHGXBIPCJIK-UHFFFAOYSA-N
-rxn:4:212989:223387,CCOC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)[nH]n1,LDHIGODQTIMAMD-UHFFFAOYSA-N
-rxn:4:212989:223895,CCN1CCN(CCOc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,YXANSOGETHVBPS-UHFFFAOYSA-N
-rxn:4:212989:226413,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cccc(N4CCOCC4)c3)s2)CC1,RRTGLDNTQOIGSF-UHFFFAOYSA-N
-rxn:4:212989:227036,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C4CC4)ccc3C#N)s2)CC1,KQZZUJZATOLEDL-UHFFFAOYSA-N
-rxn:4:212989:227213,CCCCSc1cncc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,UTIZPNDJDQGJQS-UHFFFAOYSA-N
-rxn:4:212991:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OCC5CCN(S(=O)(=O)C6CC6)CC5)nc4)c3)cccc12,HZAYTORHDGOTDL-UHFFFAOYSA-N
-rxn:4:212997:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCCC(Oc5cncc(OC)n5)C4)o3)cc2)CC1,HOUJOBXCIXQLGT-OOZDBRQBSA-N
-rxn:4:213012:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)CC(C)C)CC2)nc1,ZTLTUEDFASBNOY-UHFFFAOYSA-N
-rxn:4:213013:223945,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GDCVUMSHDSPRRE-UHFFFAOYSA-N
-rxn:4:213015:222540,Cn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,FINDWFRZTGHMQD-UHFFFAOYSA-N
-rxn:4:213061:223834,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,UIEIASQUJUHBSZ-UHFFFAOYSA-N
-rxn:4:213079:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,ZESSUJBUBGEAHZ-UHFFFAOYSA-N
-rxn:4:213080:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SWMWBUGNFXLQRD-UHFFFAOYSA-N
-rxn:4:213081:223184,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2C#N)CC1,HXDWDPKFWVYWID-UHFFFAOYSA-N
-rxn:4:213105:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1,ZGYAVXBNRFPDFQ-UHFFFAOYSA-N
-rxn:4:213131:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,AFNUUJZVSNUDRY-UHFFFAOYSA-N
-rxn:4:213133:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)cc1Cl,NTBRRBNQFJRDBT-UHFFFAOYSA-N
-rxn:4:213134:223970,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cn2)CC1,QDLNTMZHZZLJSR-UHFFFAOYSA-N
-rxn:4:213134:224171,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)CC1,XBTPDCLPQMAUMS-UHFFFAOYSA-N
-rxn:4:213134:225172,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,XEBNRZYGRIOLGX-UHFFFAOYSA-N
-rxn:4:213134:225389,CCC(C)c1cc(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)cc(C2CC2)c1,AFEBULQBSXOWCE-UHFFFAOYSA-N
-rxn:4:213135:222546,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,VGWGEUCVBLSYMG-UHFFFAOYSA-N
-rxn:4:213145:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4C)cc3)cc2F)CC1,NVOVQPYWYVCKIA-UHFFFAOYSA-N
-rxn:4:213150:225227,CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)CC1,SGIBTDUAZCUNSJ-UHFFFAOYSA-N
-rxn:4:213158:225145,COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2ccncc2-c2ccc(N3CCOCC3)c(C#N)c2)C1,RANSZSAZRMFQMS-UHFFFAOYSA-N
-rxn:4:213160:222778,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cn2)CC1,WMDQBGQANVWLGQ-UHFFFAOYSA-N
-rxn:4:213172:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)cc1,QITWKKBVOFZPHI-UHFFFAOYSA-N
-rxn:4:213178:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)c(F)c2)CC1,UJBQEQIGOLYSDK-JFJJZVRQSA-N
-rxn:4:213192:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cn2)CC1,WJNLKBRCSUWKEZ-UHFFFAOYSA-N
-rxn:4:213195:223812,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,VZBLGTRWMUZVFH-UHFFFAOYSA-N
-rxn:4:213197:224410,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3)C2=O)CC1,HHSIKDICQQALLX-UHFFFAOYSA-N
-rxn:4:213203:224760,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)CC2)nn1,FMPGHMWFUUOSAE-UHFFFAOYSA-N
-rxn:4:213217:225158,CCN1CCN(c2ncc(-c3ccc(C(=O)N4CCSCC4)cc3)cc2C(=O)OC(C)(C)C)CC1,GFOZDGZPFLCUAP-UHFFFAOYSA-N
-rxn:4:213223:224607,COc1ccc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,ZGORBGMTXJAMTC-UHFFFAOYSA-N
-rxn:4:213227:222632,COc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1CN1CCC(Oc2ncc(C)cn2)CC1,OXKKHOBYSXVPNO-UHFFFAOYSA-N
-rxn:4:213241:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N(C)c5ccccc5)c4C)cc3)c2)CC1,HABYATTVHPTIFD-UHFFFAOYSA-N
-rxn:4:213253:222973,CC(C)(C)NC(=O)c1cccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,CBSCGJVRSFHGFY-UHFFFAOYSA-N
-rxn:4:213275:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)n3)ccc2C)CC1,MSYCUNFAXLTWPO-UHFFFAOYSA-N
-rxn:4:213279:223508,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,YHPKXQPMHPDEJV-UHFFFAOYSA-N
-rxn:4:213281:228845,Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(F)cc1Cl,KMICSWSSKYBBNO-UHFFFAOYSA-N
-rxn:4:213285:222632,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C2)c1,MSKXESHATLJBLS-UHFFFAOYSA-N
-rxn:4:213289:223791,COc1ccc(N(C)C(=O)c2ccc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,UQWMQZCVDSUYNM-UHFFFAOYSA-N
-rxn:4:213289:223904,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,IQGJWCGTIIZURP-UHFFFAOYSA-N
-rxn:4:213302:223755,C#CCn1c(=NC(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)s2)sc2cc([N+](=O)[O-])ccc21,AAEVJLAIFTVEDT-UHFFFAOYSA-N
-rxn:4:213337:224617,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3s2)CC1,UXHIVEMCMYQNKR-UHFFFAOYSA-N
-rxn:4:213387:226305,COc1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(C)C,LAFRVROHVLAWAJ-UHFFFAOYSA-N
-rxn:4:213412:222729,CCCc1cc(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)cc(C2CCCNC2)n1,KLEKIJYVONZDBV-UHFFFAOYSA-N
-rxn:4:213412:224485,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3nn2C)CC1,NBTWWEPUEGDLRO-UHFFFAOYSA-N
-rxn:4:213424:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(COc6cc7c(nn6)CCCC7)CC5)cc4)c3)cccc12,FKNQYCMUURQPDC-UHFFFAOYSA-N
-rxn:4:213444:227017,CC=CCOc1ccccc1-c1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1,XTFIZNZATZDZOF-UHFFFAOYSA-N
-rxn:4:213570:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnn(CCC(=O)N3CCCC3)c2)c1,XCCFFTHGSIWPAJ-UHFFFAOYSA-N
-rxn:4:213588:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(Cn5ccnc5)C4)o3)ccc2OC)CC1,QAMMCKZQKSMSOM-UHFFFAOYSA-N
-rxn:4:213613:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cnccn4)C3)o2)cc1OCCCN1CCN(C)CC1,XHRWQEYRBCOJPA-UHFFFAOYSA-N
-rxn:4:213679:222537,O=S(=O)(c1ccc(Cl)cc1)N1CC(Cn2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)C1,ZZZVBZCBPJPRQQ-UHFFFAOYSA-N
-rxn:4:213680:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)c1,JEQLMRKBWHFJFJ-UHFFFAOYSA-N
-rxn:4:213718:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3COCCO3)C2)c1,IUQGOBMZDKAOPD-UHFFFAOYSA-N
-rxn:4:213758:224187,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2ccc(OCCN3CCCCC3)cc2F)cn1,OZCLOKRWMXRRLN-UHFFFAOYSA-N
-rxn:4:213795:222948,OC1CCN(c2ncc(-c3cnn(CC4CN(CC5CCCOC5)C4)c3)c(Cl)n2)CC1,WUFJJLVONNIGOH-UHFFFAOYSA-N
-rxn:4:213817:222584,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)s1,SOPVEWCTWXDFBW-UHFFFAOYSA-N
-rxn:4:213828:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)c1Cl,DUVSBARQNNLPRS-UHFFFAOYSA-N
-rxn:4:213853:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(CN3CCC(Oc4ncc(F)cn4)CC3)c2)CC1,IMABFRAILDHUDS-UHFFFAOYSA-N
-rxn:4:213876:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RMLWHWRBDMGZEI-UHFFFAOYSA-N
-rxn:4:213899:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC)cc1,SIVDCLLGQVJGGT-UHFFFAOYSA-N
-rxn:4:213929:222634,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)C2)n1,YYISHWZXJCNQMD-UHFFFAOYSA-N
-rxn:4:213929:223945,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)o3)C2)n1,XOLJXXKCTFJZIG-UHFFFAOYSA-N
-rxn:4:213937:224649,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)ccc3OCC3CCCCO3)CC2=O)ccn1,HOELVEPMFUFECY-UHFFFAOYSA-N
-rxn:4:213951:222684,Cn1cncc1C1CCN(C(=O)Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,JGNWYFIBMQUQDV-UHFFFAOYSA-N
-rxn:4:213954:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)c1,NQKLBCSFFJMOGY-UHFFFAOYSA-N
-rxn:4:213971:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,SFJNMIGVXTVOOH-UHFFFAOYSA-N
-rxn:4:213971:227480,CCCOc1nccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,OWWKVQLDLMHQPD-UHFFFAOYSA-N
-rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
-rxn:4:213992:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCN(CC6CCOCC6)CC5)nc4)c3)cccc12,YFWBOPNPTVDGCC-UHFFFAOYSA-N
-rxn:4:213994:224763,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c1,RGAUNQSZGJIYJA-GOSISDBHSA-N
-rxn:4:213997:222899,CCCCNS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,GKKQJYVRRXVVPD-UHFFFAOYSA-N
-rxn:4:214002:222826,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,ZICWYUWLYIMUPT-UHFFFAOYSA-N
-rxn:4:214003:223034,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cncc(C(=O)NC(C)(C)C)c3)CC2)CC1=O,NRDZIHLHQBIVSI-UHFFFAOYSA-N
-rxn:4:214010:223959,CCN1CCN(C(=O)c2cc(-c3ccccc3C(=O)n3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)ccc2Cl)CC1,PHLKFBAAAVXSJH-UHFFFAOYSA-N
-rxn:4:214025:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(N(C)c3ccccn3)CC2)c1,MBMIIORURUXTRI-UHFFFAOYSA-N
-rxn:4:214026:226981,CCCCCCc1ccsc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,GFWDVEDPCTXYOJ-UHFFFAOYSA-N
-rxn:4:214028:224163,Cc1c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc2c1cnn2C1CCCCO1,XNPNEDGUCPLTLZ-UHFFFAOYSA-N
-rxn:4:214033:226294,COc1cc(OC(C)C)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,JZYUAVCISYRXCS-DNQXCXABSA-N
-rxn:4:214035:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)CC1,HSKGWDKZKAAQSI-UHFFFAOYSA-N
-rxn:4:214037:224858,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cccc5c4C(=O)c4ccccc4-5)cc3)C2)CC1,GYDBEPVSEVKDJA-UHFFFAOYSA-N
-rxn:4:214054:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4S(=O)(=O)N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)c3)cccc12,FCVDLJCBSBBEQF-UHFFFAOYSA-N
-rxn:4:214059:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)CC1,CIXDCXPRNIGSQI-UHFFFAOYSA-N
-rxn:4:214065:222409,COc1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1S(N)(=O)=O,OOTGPMCLCPGYOB-UHFFFAOYSA-N
-rxn:4:214065:223572,Cc1nn(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,VEASICPBFNQOTJ-UHFFFAOYSA-N
-rxn:4:214069:223753,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cc4)no3)C2)cc1,SXSNQBAZSXDIEY-UHFFFAOYSA-N
-rxn:4:214071:224725,CCN(CC)S(=O)(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)ccc1C,BYGFVZRPYQNDDT-UHFFFAOYSA-N
-rxn:4:214074:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,OUINNGJZFVJWRX-UHFFFAOYSA-N
-rxn:4:214074:224612,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,XISUHQLVSITDAS-UHFFFAOYSA-N
-rxn:4:214074:226665,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCOC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,MMRJVHYLDJRDLZ-UHFFFAOYSA-N
-rxn:4:214081:227003,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3ccc(OCC4CC4)cc3)cc2)=NC12CCCCCC2,YTEXAXWHUZAZON-UHFFFAOYSA-N
-rxn:4:214108:223541,CCOC(=O)c1nc2c([N+](=O)[O-])c(C)ccn2c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,OYIKNGWRKNMRBQ-UHFFFAOYSA-N
-rxn:4:214135:222816,CCN(CC)S(=O)(=O)c1c(-c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)nc2n1CCOC2,TZLXUVVNVWMSRT-UHFFFAOYSA-N
-rxn:4:214147:222608,CC(C)(C)OC(=O)N1CCn2c(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)nc(C(F)(F)F)c2C1,RODLKPRMMMRIMT-UHFFFAOYSA-N
-rxn:4:214153:224634,COc1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1CN1CCOCC1,ZGCHVAUWJIDRPS-LJQANCHMSA-N
-rxn:4:214153:225059,CC1CCN(c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)c(Cl)c2)CC1,UFNVRCKNOQESNS-GOSISDBHSA-N
-rxn:4:214153:225607,CC(c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)s1)N1CCCCC1,QSYDAQJYXCADFR-ZYMOGRSISA-N
-rxn:4:214221:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1,QDWJSUNFJJBGDR-LUTIACGYSA-N
-rxn:4:214246:224182,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n3C)ccc1OCCN1CCOCC1,VYCXCGDAIMHJGH-UHFFFAOYSA-N
-rxn:4:214331:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)sc(=NC(=O)c4ccc(S(=O)(=O)N6CCOCC6)cc4)n5C)c3)cccc12,DWJXAXQIALSGAA-UHFFFAOYSA-N
-rxn:4:214347:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCCC5)cc3)n4C)cc2F)CC1,RRSCRPGGCVJGTJ-UHFFFAOYSA-N
-rxn:4:214347:225159,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc21,QPGMNLOLXHMOTB-UHFFFAOYSA-N
-rxn:4:214379:227502,CC(C)Oc1ncc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc1Cl,WAOQLTKRUPNPDX-UHFFFAOYSA-N
-rxn:4:214584:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C)c(N=CN(C)C)c([N+](=O)[O-])c3)c(F)cc2C)CC1,GORGKHBFDPJPDH-UHFFFAOYSA-N
-rxn:4:214584:223815,Cc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c1N=CN(C)C,RBQXEPBAAAZZEJ-UHFFFAOYSA-N
-rxn:4:214585:222604,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,PWYGFFOGHDDYAO-UHFFFAOYSA-N
-rxn:4:214631:222432,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,QLZICOCWVZFEDF-UHFFFAOYSA-N
-rxn:4:214694:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CN(C(C)C)CCO3)c2)c1,SEMGODRFXDCWCL-UHFFFAOYSA-N
-rxn:4:214705:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)c2)CC1,MAFVHPBKLVXWCM-UHFFFAOYSA-N
-rxn:4:214709:224686,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cn2)CC1,YYWRVEYTLSJHLL-UHFFFAOYSA-N
-rxn:4:214710:224683,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)CC1,KCTQVPPFDCNVDX-UHFFFAOYSA-N
-rxn:4:214711:224683,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cn2)CC1,MTNVVDNNDSTQGZ-UHFFFAOYSA-N
-rxn:4:214740:224782,CC(=O)N1CCCC(Cc2cnc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,XIFKEEVQSQFFQA-UHFFFAOYSA-N
-rxn:4:214749:224566,COC(=O)C1(c2ccc(-c3cnc(OC4CCN(C5CCC5)CC4)nc3)cc2)CCCC1,JJCKTPFEQXYBLD-UHFFFAOYSA-N
-rxn:4:214768:225200,CN(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)c(OC4CCCC4)c3F)c2)CC1,LBLKEXHTDBGQGN-UHFFFAOYSA-N
-rxn:4:214804:225518,CCCCCOc1ncc(C)cc1-c1cnccc1N1CCOC(C(=O)N2CCCC2)C1,OQEAIRDFNMHWEK-UHFFFAOYSA-N
-rxn:4:214805:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5CCCN(S(=O)(=O)C6CC6)CC5)nc4)c3)cccc12,JPDHFLUKZVJMMI-UHFFFAOYSA-N
-rxn:4:214829:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,IRPSUXJRNSAGIO-UHFFFAOYSA-N
-rxn:4:214829:226231,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,HSOIYBPUYHMEBF-UHFFFAOYSA-N
-rxn:4:214835:223901,CC1CCN(CCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2Cl)CC1,IFEBNARBXOZXER-UHFFFAOYSA-N
-rxn:4:214836:222553,O=C(NCc1ccccc1)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,RRHRDMFROQCWDI-UHFFFAOYSA-N
-rxn:4:214837:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,BFOORAJXUJEUIO-UHFFFAOYSA-N
-rxn:4:214839:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,IDELUBKYDUANHB-UHFFFAOYSA-N
-rxn:4:214855:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCN(C6CCSCC6)CC5)nc4)c3)cccc12,NTZIUAXMMQNNKC-UHFFFAOYSA-N
-rxn:4:214860:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCCC(c4cnn(C)c4)C3)cc2)CC1,MBNJEVFQSNWXAN-UHFFFAOYSA-N
-rxn:4:214862:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,ODNRRZYURVRKNT-UHFFFAOYSA-N
-rxn:4:214867:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,HSZYDXUHMQYFJE-UHFFFAOYSA-N
-rxn:4:214867:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1F,GKOSOGSDMUUJFF-UHFFFAOYSA-N
-rxn:4:214868:222864,CC(C)NCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,SGPNMZUUQWKJFU-UHFFFAOYSA-N
-rxn:4:214873:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,CREUTKUDXMLDKK-FTYYUIOPSA-N
-rxn:4:214873:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,PJZHJMDYSOKCJF-UHFFFAOYSA-N
-rxn:4:214873:226792,O=C(C1CCCN(c2ncc(-c3cnc(N4CCOCC4)nc3)cc2F)C1)N1CCOCC1,BULZHWXSMCLICG-UHFFFAOYSA-N
-rxn:4:214874:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1,BIPCCCVGLOEIBX-UHFFFAOYSA-N
-rxn:4:214880:222424,Cc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,WGBFMOCOYXKQFI-UHFFFAOYSA-N
-rxn:4:214888:225914,CCOc1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)cc(C(F)(F)F)c1,NRUCSZAJQNLJRO-UHFFFAOYSA-N
-rxn:4:214889:223084,CN1CCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCC2)CC1,UVVRQKFQOUXHJJ-UHFFFAOYSA-N
-rxn:4:215170:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,VGOAJWFYYVEZHV-UHFFFAOYSA-N
-rxn:4:215189:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4nc(N5CCN(C(=O)C(C)(C)C)CC5)sc4c3)c(F)ccc21,PUIZZBRTQSBMNY-UHFFFAOYSA-N
-rxn:4:215216:222584,O=C(C1CCCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)C1)N1CCOCC1,NPXXINKNEBNUNS-UHFFFAOYSA-N
-rxn:4:215304:224689,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,KVOXJTXKGOPRPE-UHFFFAOYSA-N
-rxn:4:215642:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cn(C)nc2CN2C(=O)C=CC2=O)CC1,SUOOIYVUVOJDRH-UHFFFAOYSA-N
-rxn:4:215642:223841,Cc1cc(F)c(-c2cn(C)nc2CN2C(=O)C=CC2=O)cc1S(=O)(=O)N1CCN(C)CC1,WPHWGXBUUBPZEJ-UHFFFAOYSA-N
-rxn:4:215704:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCOCC3)c(C#N)c2)CC1,STOLGPNUICCPDO-UHFFFAOYSA-N
-rxn:4:215708:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)nc3)ccn2)CC1,QLLMQKUNZMGLJJ-UHFFFAOYSA-N
-rxn:4:215805:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc([N+](=O)[O-])cc(N4CCC(F)(F)CC4)n3)cn2)CC1,OKLXUNRFRSIABN-UHFFFAOYSA-N
-rxn:4:215840:222465,Cn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1CN1CCCCC1,NTVDBLUOSJUQGV-UHFFFAOYSA-N
-rxn:4:215849:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCC(F)(F)CC2)n1,DSQCIZPVVBSTLH-UHFFFAOYSA-N
-rxn:4:215852:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(N4CCOCC4)nc(C4CC4)n3)cc2F)CC1,ICBPQDPAFPFZIN-UHFFFAOYSA-N
-rxn:4:215867:224399,CN1CCN(C(=O)c2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc2Cl)CC1,IZNLXYKJFGRGOJ-UHFFFAOYSA-N
-rxn:4:215896:222607,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)CC1,ALTUVOFVRLRSJW-UHFFFAOYSA-N
-rxn:4:215897:222729,CCCc1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc(C2CCCNC2)n1,WGNOCEBFEJORKH-UHFFFAOYSA-N
-rxn:4:215906:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,QEKRDZFQZNYKNQ-UHFFFAOYSA-N
-rxn:4:215915:223588,Cc1cc(-c2cnc(N3CCN(C)CC3)cc2C(F)(F)F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OFRSHAOYKSCORH-UHFFFAOYSA-N
-rxn:4:215950:223602,CCN1CCN(c2ncc(C)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,LLOPUOQIFNIYCG-UHFFFAOYSA-N
-rxn:4:215960:223753,Cc1ccc(-c2cc([N+](=O)[O-])c(C)cc2N2CCN(C)CC2)cc1OCCCN1CCN(C)CC1,LNMBPMIYWVMKNV-UHFFFAOYSA-N
-rxn:4:215983:223835,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,QFJOJLBCFKDSCH-UHFFFAOYSA-N
-rxn:4:215989:222424,CN1CCN(C2CCN(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2)CC1,VPFWJYVWYHUHKH-UHFFFAOYSA-N
-rxn:4:216231:224022,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,ZIGAQGFHLNSOFZ-UHFFFAOYSA-N
-rxn:4:216774:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC4)n3)cc2[N+](=O)[O-])CC1,ACJIUHKOGBXUQB-UHFFFAOYSA-N
-rxn:4:216904:223482,O=c1ccccn1-c1ncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(Cl)n1,DYAYJSADCKVHHM-UHFFFAOYSA-N
-rxn:4:217173:223505,CC1CCCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)C1,LDJIWJBPQRQOCL-UHFFFAOYSA-N
-rxn:4:217874:223828,CCN1CCN(c2cc(-c3cnc4c(c3)c(C)nn4C3CCS(=O)(=O)C3)cc(C(F)(F)F)c2)CC1,MOSVJSJVTVLWCS-UHFFFAOYSA-N
-rxn:4:217889:224424,CCCC1CCC(c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,WWAILCCXPMJRGU-UHFFFAOYSA-N
-rxn:4:218568:222655,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)cn3)C2)cn1,PTHSXZXRKTVVCA-UHFFFAOYSA-N
-rxn:4:218582:222703,O=C(Cc1cccnc1)N1CCCC(COc2ncc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cn2)C1,QXDRVOFINUIRCT-UHFFFAOYSA-N
-rxn:4:218621:226844,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,RPMBPGQMWGGWHM-UHFFFAOYSA-N
-rxn:4:218631:228171,CCOc1ccc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1F,ODOHVEWARWXIIV-UHFFFAOYSA-N
-rxn:4:218664:225877,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)cc1,AHCVCHAICZBLQU-UHFFFAOYSA-N
-rxn:4:218665:224289,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4F)cn3)C2)c1,BNAVBCSMENAERJ-UHFFFAOYSA-N
-rxn:4:218666:225222,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)c(F)cn1,XZOVHUMIVAAUOR-UHFFFAOYSA-N
-rxn:4:218682:223945,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)CC1,VSOUHMYMYWPZNH-UHFFFAOYSA-N
-rxn:4:218702:225379,CC(Oc1ccccc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)n[nH]2)CC1,YRRURSFDWKEPHE-UHFFFAOYSA-N
-rxn:4:218718:223557,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(C)nn12,IQWXYZYBAACYGB-UHFFFAOYSA-N
-rxn:4:218754:225300,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(OC5CCOCC5)nc4F)c3n(CC#N)c2=O)CC1,BRGJVUCMIGACEU-UHFFFAOYSA-N
-rxn:4:218773:224886,CC1CCN(Cc2ccc(-c3ccc(-n4c(SCC(=O)N5CCN(c6ccccc6)CC5)nc5c(c4=O)SCC5)cc3)cc2)CC1,DNTHUTXOFKGJEX-UHFFFAOYSA-N
-rxn:4:218775:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1,CIGHPCQRLNPXQE-UHFFFAOYSA-N
-rxn:4:218775:228225,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(Cl)cnc4C4CC4)ccc32)CC1)N1CCCCCC1,HNSIGJNMXJJFCA-UHFFFAOYSA-N
-rxn:4:218831:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,KDPZBTSVFXEOCN-UHFFFAOYSA-N
-rxn:4:218867:225227,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)c2)no1,QCZNPOCSPUHBGI-UHFFFAOYSA-N
-rxn:4:218868:225638,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCC(C)CC4)nc3)cc2)no1,OIUGNZOUIDLTAZ-UHFFFAOYSA-N
-rxn:4:218868:225799,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncc(OC4CCOCC4)c3)cc2)no1,BILJJPNRUCAOOX-UHFFFAOYSA-N
-rxn:4:218888:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(F)c2)CC1,BQFVIOSEOBZPBV-ANRZFKABSA-N
-rxn:4:218894:223812,N#Cc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,HTQDDPCVVQNIAB-UHFFFAOYSA-N
-rxn:4:218944:223184,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCNCC4)nc3)cc2[N+](=O)[O-])CC1,IDVBJRAGBPZXMG-UHFFFAOYSA-N
-rxn:4:218945:228088,CCCSc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,MWFVQIPZJZRCNA-UHFFFAOYSA-N
-rxn:4:218969:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)c5cccc(N(C)C)c5)C4)nc3)c2)CC1,UTDCMLIGWHELBG-UHFFFAOYSA-N
-rxn:4:218971:225172,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)s1,FCVARZKZXJTOKG-UHFFFAOYSA-N
-rxn:4:218972:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(F)c2)CC1,NFLIDNXTZYSHOJ-PECFQXNXSA-N
-rxn:4:218972:223945,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)s1,RSDRUUOBBPQNKX-UHFFFAOYSA-N
-rxn:4:218982:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)c3)c2)CC1,SYEFBIWPRWJEBJ-UHFFFAOYSA-N
-rxn:4:219001:222424,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)C2)C(=O)C1=O,XQPGBQFCXBESAO-UHFFFAOYSA-N
-rxn:4:219002:224884,CC1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c2)CC1,FCIFHVVSFQAPLX-UHFFFAOYSA-N
-rxn:4:219013:226562,CCOc1c(F)cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1OC,JLOORMIBOZXOMW-UHFFFAOYSA-N
-rxn:4:219034:222915,CN(C)c1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)NC5=NCCS5)cc4)cn3)CC2)c1,LQUANBQQEVDSRH-UHFFFAOYSA-N
-rxn:4:219042:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cnc(C2CCCN2)nc1,WVTKQHAUJIPKHT-UHFFFAOYSA-N
-rxn:4:219073:225665,O=C(c1ccc(-c2ccc(Cl)cc2N2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,OHEQSOVHDJOXOO-UHFFFAOYSA-N
-rxn:4:219081:222684,Cc1ccc(C)c(C2=NN(c3nc(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)cs3)C(c3cccc([N+](=O)[O-])c3)C2)c1,RDSVUPGAANZHIH-UHFFFAOYSA-N
-rxn:4:219120:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VPYYIHQIRWPKDS-UHFFFAOYSA-N
-rxn:4:219120:225043,O=C(c1cncc(-c2ccc(OC3CCCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,IHYRWERXXMDZFO-UHFFFAOYSA-N
-rxn:4:219130:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c3ccccc23)CC1,ISDKQHLGUXSNHV-UHFFFAOYSA-N
-rxn:4:219136:225055,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccc(N5CCCC(C)C5)cc4Cl)C3C2=O)cc1,GWFUHFXZVMVJTE-UHFFFAOYSA-N
-rxn:4:219142:225320,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(N5CCOCC5)c(F)c4F)cc23)CC1,AOLMWTSOBDYCAT-UHFFFAOYSA-N
-rxn:4:219187:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(-c5csc(N6CCN(CCN7C(=O)c8ccccc8C7=O)CC6)n5)cc4)c3)cccc12,CPMJZYYYGILJOI-UHFFFAOYSA-N
-rxn:4:219207:226525,CCCOc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c(F)c1F,YSQQBJRQUHUWAD-UHFFFAOYSA-N
-rxn:4:219207:228441,CSc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c(Cl)c1F,JPISBYWTUKQGJS-UHFFFAOYSA-N
-rxn:4:219340:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)c1,KMKUOBWXJQXEOL-UHFFFAOYSA-N
-rxn:4:219353:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCN(S(=O)(=O)N(C)C)CC5)nc4)c3)cccc12,BQNRKLYLQHQLAS-UHFFFAOYSA-N
-rxn:4:219360:223753,Cc1ccc(-c2cccnc2OC2CCN(C(=O)c3snnc3C)CC2)cc1OCCCN1CCN(C)CC1,VSNXKBFDQRVVMA-UHFFFAOYSA-N
-rxn:4:219377:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5nccn5CC)CC4)o3)c2)CC1,RKVDBKPIYMSZPK-UHFFFAOYSA-N
-rxn:4:219383:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,KMRVPYSOUCPZSC-UHFFFAOYSA-N
-rxn:4:219388:225098,O=C(c1ccc(-c2ccc(OCCN3CCCC3)nc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MMWMPECLWXFMGH-UHFFFAOYSA-N
-rxn:4:219390:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)c(C#N)c2)CC1,OIALFZOUZFDVJR-UHFFFAOYSA-N
-rxn:4:219406:222546,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,BASLMAPZRSDALQ-UHFFFAOYSA-N
-rxn:4:219407:225943,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)CC1,POZZBRYGAOUWRP-UHFFFAOYSA-N
-rxn:4:219410:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCN(S(=O)(=O)N6CCOCC6)C5)nc4)c3)cccc12,IUSQTQPJAUMTFB-UHFFFAOYSA-N
-rxn:4:219436:222419,N#Cc1cc(-c2cccc(S(N)(=O)=O)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,NTAXYTAYBBYOJN-UHFFFAOYSA-N
-rxn:4:219438:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccccc2CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1,JJUNHYCUUVUFHV-UHFFFAOYSA-N
-rxn:4:219462:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCCN(S(=O)(=O)N6CCCC6)C5)nc4)c3)cccc12,MWNJJXGGEXKEDQ-UHFFFAOYSA-N
-rxn:4:219467:223993,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)C2)n1,DMQLPYBRNPPJQK-UHFFFAOYSA-N
-rxn:4:219469:226473,CSc1ncc(-c2cccnc2OCCN(C)C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,RNPZDRJFUMZSOG-UHFFFAOYSA-N
-rxn:4:219477:222695,Cc1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1S(=O)(=O)NC1CCCC1,ODUOOMREDHCEFB-UHFFFAOYSA-N
-rxn:4:219479:223753,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc1OCCCN1CCN(C)CC1,ZCWRPIWEKICIRH-UHFFFAOYSA-N
-rxn:4:219488:224078,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cn1,QHQCXTZKGFIXHW-FQEVSTJZSA-N
-rxn:4:219497:228331,CCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1Cl,ROCMXUXEYIJWKM-UHFFFAOYSA-N
-rxn:4:219501:228143,CCCc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,GVTDSLWDNQYNIY-UHFFFAOYSA-N
-rxn:4:219506:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,OKFNRFRXKRLVKF-UHFFFAOYSA-N
-rxn:4:219532:224200,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(OCc2cccnc2)c(Cl)cc1C,HVWXNLHDJZCTHE-UHFFFAOYSA-N
-rxn:4:219534:225219,CC1CCCCN1c1cc(F)c(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)cn1,IWDMBPKLPFZSPZ-UHFFFAOYSA-N
-rxn:4:219538:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(C#N)c3)cc2)CC1,BUUWWLUOBNMQRG-UHFFFAOYSA-N
-rxn:4:219552:225329,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCC(F)(F)F)c(C#N)c1,MOXDWNTZJTWAJG-UHFFFAOYSA-N
-rxn:4:219565:222522,COc1ccc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,IZKBUYHDLBLGLX-UHFFFAOYSA-N
-rxn:4:219641:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccnc3OC3CCN(C(=O)c4cc5n(n4)CCCO5)C3)cc21,VLUHQPXKNPRJRF-UHFFFAOYSA-N
-rxn:4:219653:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2)CC1,MAOVXNBHUDJNRO-UHFFFAOYSA-N
-rxn:4:219769:222806,CCCNC(=O)c1cc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C(C)C)CC5)cc4CO3)cc2)cc([N+](=O)[O-])c1,YYYOMORWKLNKJK-UHFFFAOYSA-N
-rxn:4:219840:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2[N+](=O)[O-])CC1,OMDBNONCDYIEOM-UHFFFAOYSA-N
-rxn:4:219907:222523,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,IEUPZJWTDSJJKO-UHFFFAOYSA-N
-rxn:4:219909:223602,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)C2)cc1=O,YUHLTSMSUKYSNP-UHFFFAOYSA-N
-rxn:4:219942:223699,O=S(=O)(c1ccc(-c2cccnc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C(F)(F)F)c1)N1CCOCC1,JBOJMNVGAUTSMK-UHFFFAOYSA-N
-rxn:4:219975:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCOC(C(=O)N6CCCCC6)C5)nc4)c3)cccc12,SDYPFGHOFAQTDB-UHFFFAOYSA-N
-rxn:4:219975:222835,CC(C)CC(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1,ZOKWQFLHICLAPY-UHFFFAOYSA-N
-rxn:4:219991:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,OBQGPHQWSYAUJB-UHFFFAOYSA-N
-rxn:4:219991:226540,CCOC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,VKCFMWLLMHGIDA-UHFFFAOYSA-N
-rxn:4:220039:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,ZBRBLMDXSOCSBQ-UHFFFAOYSA-N
-rxn:4:220121:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccc(C(=O)N2C3CCC2CC(n2cncn2)C3)c1,OELRFUAEFNSWBJ-UHFFFAOYSA-N
-rxn:4:220205:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,STSXAHMQGAOULR-UHFFFAOYSA-N
-rxn:4:220224:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4Cn5nnc(C(=O)N6CCCCCC6)c5CO4)cc3)c3ccccc23)CC1,ONNFNBCXFJQNFB-UHFFFAOYSA-N
-rxn:4:220241:223753,Cc1ccc(-c2cccc(-c3noc(-c4cn(C)c5cc(N6CCCCC6)c(F)cc5c4=O)n3)c2)cc1OCCCN1CCN(C)CC1,DZVMOWWEDXXOLU-UHFFFAOYSA-N
-rxn:4:220257:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)nn3c(C)c(CC(=O)N5CCOCC5)c(C)nc43)c2)CC1,JSQJHSAAQRJGNT-UHFFFAOYSA-N
-rxn:4:220257:224689,Cc1nc2c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3nn2c(C)c1CC(=O)N1CCOCC1,FSLQDNPRIKRKAW-UHFFFAOYSA-N
-rxn:4:220415:222621,CC(C)Cc1cc(-c2cnc(N3CCN(C4CCC4)CC3)nc2)cc(C2CCCNC2)n1,BSFXWCCXYBXYPU-UHFFFAOYSA-N
-rxn:4:220540:222724,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCNCC6)c(C(F)(F)F)c5)cc4)C3C2=O)c1,LJAMAYRWBOHCJW-UHFFFAOYSA-N
-rxn:4:220547:222720,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(N6CCNCC6)cc5C(F)(F)F)c(C)c4)C3C2=O)c1,CSERLAQXLJFRBV-UHFFFAOYSA-N
-rxn:4:220547:222724,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCNCC6)c(C(F)(F)F)c5)c(C)c4)C3C2=O)c1,WIPYOIJGXORRBF-UHFFFAOYSA-N
-rxn:4:220815:223505,CN1CCN(c2ncncc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,OHKCQTLELQINAX-UHFFFAOYSA-N
-rxn:4:221099:225898,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c(C(F)F)n1,FIYAJRCMAFTQJV-UHFFFAOYSA-N
-rxn:4:221103:222916,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NC5=NCCS5)c4)cn3)C2)cn1,MYWVUQPQQBCURC-UHFFFAOYSA-N
-rxn:4:221107:225898,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c(=O)c1C,KXEZPYJYINQDBF-UHFFFAOYSA-N
-rxn:4:221121:222824,Cc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1S(=O)(=O)NC(C)C,QOQCGDAFWCYFRH-UHFFFAOYSA-N
-rxn:4:221121:222832,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(CNc6ccccc6)c5)ccc43)CC2)CC1,INFFSDIPBWIANJ-UHFFFAOYSA-N
-rxn:4:221121:222934,CCNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,ZSZSKWPZGVQGKV-UHFFFAOYSA-N
-rxn:4:221121:223178,CONC(=O)c1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,DYPWDBKJZOZKIT-UHFFFAOYSA-N
-rxn:4:221121:223279,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCN6)nc5)ccc43)CC2)CC1,AOJHGYWZSSQTTP-UHFFFAOYSA-N
-rxn:4:221121:223353,CC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,BJFBITPMLHQGNX-UHFFFAOYSA-N
-rxn:4:221121:223499,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)CC1,MRURIEDRXVMGOU-UHFFFAOYSA-N
-rxn:4:221121:223806,COc1ccc(COc2c(F)ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2F)cc1,BFPYQGASNZSQEZ-UHFFFAOYSA-N
-rxn:4:221121:223876,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C)c1OCc1ccccc1Cl,XZSQGOWUGDRRSC-UHFFFAOYSA-N
-rxn:4:221121:223892,CN1CCN(CCCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,LXJLKYSLEOMXLY-UHFFFAOYSA-N
-rxn:4:221121:224354,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(Oc6cccc(F)c6)c(F)c5)ccc43)CC2)CC1,RLWWHWBMHUSPSL-UHFFFAOYSA-N
-rxn:4:221121:224368,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c5)ccc43)CC2)CC1,LYRPSFVCANZUNL-UHFFFAOYSA-N
-rxn:4:221121:224864,CC(C)N(Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1)C(C)C,QQFNSPGBBRXRMO-UHFFFAOYSA-N
-rxn:4:221121:224972,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6nccc6C6CC6)cc5)ccc43)CC2)CC1,IKJLSNIGHSCYIM-UHFFFAOYSA-N
-rxn:4:221121:225167,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(C(=O)N6CCCC6)c5)ccc43)CC2)CC1,TUQXIWNGOTUVTD-UHFFFAOYSA-N
-rxn:4:221121:225492,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(-c6ccccc6)ccc5F)ccc43)CC2)CC1,OPYVNJQUONTBQD-UHFFFAOYSA-N
-rxn:4:221121:225503,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6Cl)cc5)ccc43)CC2)CC1,WHAFMPZGTYOJMP-UHFFFAOYSA-N
-rxn:4:221121:225590,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CCCC6)c(F)c5)ccc43)CC2)CC1,GWXJFPVIOGLZBF-UHFFFAOYSA-N
-rxn:4:221121:225946,CC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C(F)(F)F)c1,HWVNQRZXMCRNTG-UHFFFAOYSA-N
-rxn:4:221121:226711,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cnn(C(F)F)c6c5)ccc43)CC2)CC1,ZTUSXPAPNMPSNI-UHFFFAOYSA-N
-rxn:4:221121:228470,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc([N+](=O)[O-])ccc5Cl)ccc43)CC2)CC1,RGDCGMJLCCIKJS-UHFFFAOYSA-N
-rxn:4:221139:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5nnco5)C4)nc3)c3ccccc23)CC1,LEDOZQOAERJKPR-UHFFFAOYSA-N
-rxn:4:221152:222632,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1,USVYGQWCWRAMCV-UHFFFAOYSA-N
-rxn:4:221154:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(OCC2CCCN(c3cccnc3C#N)C2)nc1,OGWMQGBYZOSGDE-UHFFFAOYSA-N
-rxn:4:221169:222857,COc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cc(C2CCNCC2)c1,WOTMENDKOUBRFD-UHFFFAOYSA-N
-rxn:4:221173:224796,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cn3)C2)ccc1=O,YPDKMYGLNKQWNW-UHFFFAOYSA-N
-rxn:4:221177:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YIKFIWQZVDLIQF-UHFFFAOYSA-N
-rxn:4:221181:224325,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)nn1C,BCAHDBJZPXDHER-UHFFFAOYSA-N
-rxn:4:221189:222684,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)nn1,ZTIWOFFLWDWBCT-UHFFFAOYSA-N
-rxn:4:221190:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)c2)CC1,JXAHHVSMPKOHOH-UHFFFAOYSA-N
-rxn:4:221202:226554,CCCOc1cc(F)c(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)cc1F,NWCWJLUQSLFXCS-UHFFFAOYSA-N
-rxn:4:221204:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccc1F,QBWBDDBDXWGIJM-UHFFFAOYSA-N
-rxn:4:221205:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1F,JHQIZHHLJMSXQQ-UHFFFAOYSA-N
-rxn:4:221206:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CCN5CCN(c6cc(N7CCOCC7)ncn6)CC5)cc4)c3)cccc12,HWNOIAFZOJTOPT-UHFFFAOYSA-N
-rxn:4:221232:222775,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)c(F)c4)cn3)C1)CCOC2,ZUYDAOOAFDUYRD-UHFFFAOYSA-N
-rxn:4:221232:224759,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCOC2,UYUDFKWGVKWICE-UHFFFAOYSA-N
-rxn:4:221240:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)c1,ZOERMINVLABWNX-UHFFFAOYSA-N
-rxn:4:221263:222389,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,FGJAOMLTEMZKJK-UHFFFAOYSA-N
-rxn:4:221398:226417,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(N5CCCC5)c4)cn3)CC2)CC1,MFUSDMVKYXPDIH-UHFFFAOYSA-N
-rxn:4:221413:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc2c(Cl)ccnc21,QRJCRYYRTZCIOP-UHFFFAOYSA-N
-rxn:4:221415:225952,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCOCC5)nc4C)cc3)CC2)n1,RAVBXOCRADNCOY-UHFFFAOYSA-N
-rxn:4:221429:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCN(c6nccc(N7CCOCC7)n6)CC5)cc4)c3)cccc12,ATYZNWGVOXLLTB-UHFFFAOYSA-N
-rxn:4:221432:224330,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)c3)CC2)n1,DDRMLGXMYORAOD-UHFFFAOYSA-N
-rxn:4:221432:226524,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c(F)c1,RMNZPBIZRWAAKB-UHFFFAOYSA-N
-rxn:4:221433:225186,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(CN5CCSCC5)c4)cc3)CC2)n1,SBHLFLGQGGVSGI-UHFFFAOYSA-N
-rxn:4:221439:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,DOKFHCIDTNOHNX-UHFFFAOYSA-N
-rxn:4:221447:222718,Cc1cc(N2CCN(Cc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)CC2)nc(N2CCOCC2)n1,HDONGSWMNLMGLA-UHFFFAOYSA-N
-rxn:4:221447:222833,Cc1cc(N2CCN(Cc3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,VDGKYZRCLMLFGD-UHFFFAOYSA-N
-rxn:4:221447:223159,CCNC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1Cl,KSOQDECSHOVIHF-UHFFFAOYSA-N
-rxn:4:221447:225325,CCOC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,DCUUSVGVXRYGOV-UHFFFAOYSA-N
-rxn:4:221447:225611,COc1cc(N2CCCC2)ccc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,LCQNPSVHOWXHMM-UHFFFAOYSA-N
-rxn:4:221447:226115,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(=O)CC(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,WIXHIWYCAJHFJP-UHFFFAOYSA-N
-rxn:4:221451:227360,CCC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,GVOUVNAQHIQLRH-UHFFFAOYSA-N
-rxn:4:221453:227360,CCC(=O)c1ccc(Cl)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,ANCVLZPNHKTMBR-UHFFFAOYSA-N
-rxn:4:221456:227360,CCC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,MSVXGCPKLIFQLP-UHFFFAOYSA-N
-rxn:4:221498:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c23)CC1,HLLCMPPZGGPGEX-UHFFFAOYSA-N
-rxn:4:221528:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HQVYVKOMFSVVRC-UHFFFAOYSA-N
-rxn:4:221528:225172,CC(C)c1sc(-c2cc(CN3CCOCC3)ccc2F)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,NIQSKEBKVYSYRL-UHFFFAOYSA-N
-rxn:4:221539:222632,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)CC(C)O1,INNSKKVBICDERC-UHFFFAOYSA-N
-rxn:4:221546:222430,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2)n(C)c1=O,BIHRIZKENKRDLQ-UHFFFAOYSA-N
-rxn:4:221596:224392,COCn1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1N1CCN(C)CC1,QPKRUVAMCFRNRF-UHFFFAOYSA-N
-rxn:4:221642:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCC(N6CC(=O)N(C7CC7)C6=O)CC5)nc4)c3)cccc12,GJGBYCQHSIEXAH-UHFFFAOYSA-N
-rxn:4:221645:223970,Cc1ccc(-c2cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,BMMUDHYYWARDBA-UHFFFAOYSA-N
-rxn:4:221693:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(n5c(C6CC6)nc6ccccc65)C4)nc3)cc2[N+](=O)[O-])CC1,HSKXHKMKNMWDBK-UHFFFAOYSA-N
-rxn:4:221727:224679,O=C(c1cc(Cl)cc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)c1)N1CCCCC1,NTUZPLGZJQVDHQ-UHFFFAOYSA-N
-rxn:4:221768:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCN6c5ccc(C)c(C)c5)n(C)c4=O)cc3)ccc2F)CC1,CDCLBLHXIANQCS-UHFFFAOYSA-N
-rxn:4:221779:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCC6(CC4)OCCO6)c4ccccc45)cc3)cc2)CC1,PORIEADFIXHYOU-UHFFFAOYSA-N
-rxn:4:221933:222654,CN(C(=O)c1cncc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,LPDIAJJWMWFDQX-UHFFFAOYSA-N
-rxn:4:221952:222540,Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)CC3)nn2)n1,LERRSYVUVGMSOA-UHFFFAOYSA-N
-rxn:4:221975:224349,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,BMYTWQMAKDRZDN-UHFFFAOYSA-N
-rxn:4:221980:225170,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)ccc5CN5CCOCC5)c4)sc3n2)CC1,UCGCRPFGBJWPCN-UHFFFAOYSA-N
-rxn:4:221980:226708,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(C6OCCO6)ccc5Cl)c4)sc3n2)CC1,YZDLYXJYBBMDLR-UHFFFAOYSA-N
-rxn:4:221986:224599,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(=O)C4CCCCC4)ccc3F)cc2)CC1,VZZNWWNAKPEDJZ-UHFFFAOYSA-N
-rxn:4:221986:225382,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)CC1,STRYMDVWCUBUSM-UHFFFAOYSA-N
-rxn:4:222002:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(N(C)c5ncc(Cl)cn5)CC4)c(C#N)c3)cc2)CC1,DLOFRGCNAKOMOS-UHFFFAOYSA-N
-rxn:4:222056:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCN(c6cc(C(C)(C)C)nc(C7CC7)n6)CC5)nc4)c3)cccc12,ZMWBQISEZLZEOC-UHFFFAOYSA-N
-rxn:4:222062:223311,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2)n1,HFKACXXSJAZIOW-UHFFFAOYSA-N
-rxn:4:222062:228638,Cc1cc(C)c(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,PNSKKMHVPQHXNN-UHFFFAOYSA-N
-rxn:4:222062:228791,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,DJBCUECXDBFSGD-UHFFFAOYSA-N
-rxn:4:222062:228812,CSc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,QRGXEKAYVTWTTI-UHFFFAOYSA-N
-rxn:4:222062:228832,Cc1cc(F)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ZPFHWHGQQORSAL-UHFFFAOYSA-N
-rxn:4:222062:228835,Cc1cc(Cl)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ARBDPSPWGPTBGR-UHFFFAOYSA-N
-rxn:4:222102:222389,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,UMTIQUMJNMKBND-UHFFFAOYSA-N
-rxn:4:222102:222394,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N[C@H]7CC[C@H](O)CC7)cc6)cc5)no4)C3C2=O)cc1,BZQZAIJATMAQOV-KITUSQEJSA-N
-rxn:4:222102:222537,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,ODDBPWMEDHRCKE-UHFFFAOYSA-N
-rxn:4:222102:222541,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCN7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,OBVSENIEVZVKOR-UHFFFAOYSA-N
-rxn:4:222102:222543,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(NC(=O)OC(C)(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,CCVWAOYIRAOIBW-UHFFFAOYSA-N
-rxn:4:222102:222545,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(C)NC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,ZMDWGZOIZHGENP-UHFFFAOYSA-N
-rxn:4:222102:222546,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC7CCCCC7)c(F)c6)cc5)no4)C3C2=O)cc1,LNUSYCRIPMHSMC-UHFFFAOYSA-N
-rxn:4:222102:222582,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,PPSFBTXCGXXGRO-UHFFFAOYSA-N
-rxn:4:222102:222584,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1,UXBHCFCCTSDHKN-UHFFFAOYSA-N
-rxn:4:222102:222615,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CC(C)C)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,NYDYKIXKUAUNJD-UHFFFAOYSA-N
-rxn:4:222102:222622,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,DZCNPNUXLWLJPX-UHFFFAOYSA-N
-rxn:4:222102:222623,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,DXFXZVOAJNNFAN-UHFFFAOYSA-N
-rxn:4:222102:222630,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,XDKKNRXFODTNAK-UHFFFAOYSA-N
-rxn:4:222102:222635,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc([C@H](C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,JRUMSONAAOLMKI-FMJDMSIASA-N
-rxn:4:222102:222637,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)NC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,YCJMDVLFJXVTDB-UHFFFAOYSA-N
-rxn:4:222102:222651,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,KFBVMJATUBWTPL-UHFFFAOYSA-N
-rxn:4:222102:222673,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CCCCC7)ccc6Cl)cc5)no4)C3C2=O)cc1,LCUDYAFBGPOVGR-UHFFFAOYSA-N
-rxn:4:222102:222681,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNC(=O)OC(C)(C)C)c6F)cc5)no4)C3C2=O)cc1,XTQWMHYMWJGUAQ-UHFFFAOYSA-N
-rxn:4:222102:222694,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,HAMKPTXSDQBTFD-UHFFFAOYSA-N
-rxn:4:222102:222698,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,KEJZQZPFTTVADR-UHFFFAOYSA-N
-rxn:4:222102:222702,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,FFTUUWSXVVDVSC-UHFFFAOYSA-N
-rxn:4:222102:222704,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,NXKCFTBATWWGHP-UHFFFAOYSA-N
-rxn:4:222102:222720,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,NDHBJASEMHJOHS-UHFFFAOYSA-N
-rxn:4:222102:222722,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,UDBFEAFVBNDYFL-UHFFFAOYSA-N
-rxn:4:222102:222723,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NS(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,ONNWKQNIHQLHRS-UHFFFAOYSA-N
-rxn:4:222102:222741,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,YBRUVRFVGVZFBQ-UHFFFAOYSA-N
-rxn:4:222102:222742,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C7CC7)c6)cc5)no4)C3C2=O)cc1,NOUITRDCQLXWER-UHFFFAOYSA-N
-rxn:4:222102:222774,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,YREQUPQOHJQHID-UHFFFAOYSA-N
-rxn:4:222102:222775,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,PTGZATLWGDOSRC-UHFFFAOYSA-N
-rxn:4:222102:222777,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,DKEZBTFLEIFUNJ-UHFFFAOYSA-N
-rxn:4:222102:222780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1,WRHUUJLPQGKWRD-UHFFFAOYSA-N
-rxn:4:222102:222784,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,INNVPZSSNMKLGP-UHFFFAOYSA-N
-rxn:4:222102:222787,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)(C)C)cc6Cl)cc5)no4)C3C2=O)cc1,VCMHCHSBLLWZLJ-UHFFFAOYSA-N
-rxn:4:222102:222791,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OC(C)(C)C)ccc6Cl)cc5)no4)C3C2=O)cc1,QLOWAEVWPFYBJD-UHFFFAOYSA-N
-rxn:4:222102:222792,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OC(C)(C)C)ccc6F)cc5)no4)C3C2=O)cc1,LDDPPWOUNPUUEM-UHFFFAOYSA-N
-rxn:4:222102:222801,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,PYAOLNMITGUIMY-UHFFFAOYSA-N
-rxn:4:222102:222803,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,RLFYFGAAHAUWIQ-UHFFFAOYSA-N
-rxn:4:222102:222806,CCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,XSROECRWRDEJLP-UHFFFAOYSA-N
-rxn:4:222102:222808,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,VJVPBOYPTLWGEV-UHFFFAOYSA-N
-rxn:4:222102:222815,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(=O)C(C)C)cc6)cc5)no4)C3C2=O)cc1,JXSZNGHIYDXNGY-UHFFFAOYSA-N
-rxn:4:222102:222816,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)C,DRYYQWZCKZZPCF-UHFFFAOYSA-N
-rxn:4:222102:222818,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(F)cc1NC(C)=O,DVWZABAABVOEID-UHFFFAOYSA-N
-rxn:4:222102:222826,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCNCC7)c6)cc5)no4)C3C2=O)cc1,QUHBNHYMGZIIHI-UHFFFAOYSA-N
-rxn:4:222102:222833,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)CCC(C)C)c6)cc5)no4)C3C2=O)cc1,HTRFNFCQUROOGA-UHFFFAOYSA-N
-rxn:4:222102:222838,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)C(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,LIMMWJCFOWKPGP-UHFFFAOYSA-N
-rxn:4:222102:222842,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CCCC7)c6)cc5)no4)C3C2=O)cc1,UUXPPVIWZJATIY-UHFFFAOYSA-N
-rxn:4:222102:222849,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,FJNVQKLQWUYQMS-UHFFFAOYSA-N
-rxn:4:222102:222851,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,PGHNOMSWTKYMMU-UHFFFAOYSA-N
-rxn:4:222102:222855,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,CITRYRCZJSCYGI-UHFFFAOYSA-N
-rxn:4:222102:222858,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1,HVNHNTMUMOGXJG-UHFFFAOYSA-N
-rxn:4:222102:222864,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,RSXMJONKRYNKAJ-UHFFFAOYSA-N
-rxn:4:222102:222875,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)(C)C)ccc6F)cc5)no4)C3C2=O)cc1,XXMFJHLQIKXLLV-UHFFFAOYSA-N
-rxn:4:222102:222881,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,IFYKBGRIUYYQQN-UHFFFAOYSA-N
-rxn:4:222102:222883,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)cc6Cl)cc5)no4)C3C2=O)cc1,UYGGFFJZNZXWKU-UHFFFAOYSA-N
-rxn:4:222102:222884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,ZGUHDSVJVFVJQS-UHFFFAOYSA-N
-rxn:4:222102:222886,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C#N)cc5)no4)C3C2=O)cc1,LXPSEBGUQGTPOW-UHFFFAOYSA-N
-rxn:4:222102:222888,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCNCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,MLOHMEFAKIZILT-UHFFFAOYSA-N
-rxn:4:222102:222890,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,WUUJGNLQXTVJLD-UHFFFAOYSA-N
-rxn:4:222102:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,SFTISMFLDGJTNN-UHFFFAOYSA-N
-rxn:4:222102:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,LSNRIVZMSKDKCG-UHFFFAOYSA-N
-rxn:4:222102:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(Cl)c1,BGZLDVALECMFBS-UHFFFAOYSA-N
-rxn:4:222102:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(C)c1,ZTTNATFNLHLAAK-UHFFFAOYSA-N
-rxn:4:222102:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,UIHBQGCWCHQONU-UHFFFAOYSA-N
-rxn:4:222102:222918,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,RCTAILJWQXOWDP-UHFFFAOYSA-N
-rxn:4:222102:222919,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,SRLQLJGHASZABB-UHFFFAOYSA-N
-rxn:4:222102:222923,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,HTYHDDFRBWLOBR-UHFFFAOYSA-N
-rxn:4:222102:222925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,TVEZNFBDSNMMHV-UHFFFAOYSA-N
-rxn:4:222102:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,SODUZIRHXMPWBL-UHFFFAOYSA-N
-rxn:4:222102:222937,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,UZDHHDRRCCOSPL-UHFFFAOYSA-N
-rxn:4:222102:222938,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,NNWPVYIBKAQPNB-UHFFFAOYSA-N
-rxn:4:222102:222948,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6Cl)cc5)no4)C3C2=O)cc1,KLTBCPAZRRODIV-UHFFFAOYSA-N
-rxn:4:222102:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cn1,KHXVLUPCYFLDMG-UHFFFAOYSA-N
-rxn:4:222102:223091,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(NC(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,QCWWWJALURWPHF-UHFFFAOYSA-N
-rxn:4:222102:223550,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COc6c(C(C)C)cccc6C(C)C)cc5)no4)C3C2=O)cc1,VEUPTSWJPCCCNV-UHFFFAOYSA-N
-rxn:4:222102:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1,IWGXYTTXKOXQLM-UHFFFAOYSA-N
-rxn:4:222102:223597,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(Cl)c6)cc5)no4)C3C2=O)cc1,VZJYKGHXLJCTPN-UHFFFAOYSA-N
-rxn:4:222102:223604,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,FJRDFPOSGNCYHM-UHFFFAOYSA-N
-rxn:4:222102:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)ccc2OC)CC1,YXGGSOPAKQMCER-UHFFFAOYSA-N
-rxn:4:222102:223696,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)cc6)cc5)no4)C3C2=O)cc1,YTHDCPFNKSUZRJ-UHFFFAOYSA-N
-rxn:4:222102:223754,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCC(C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,JHQXYVLGXPUIOT-UHFFFAOYSA-N
-rxn:4:222102:223767,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7ccc(C#N)cc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,IFQAMTKBISGUQH-UHFFFAOYSA-N
-rxn:4:222102:223831,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,YSVNNRFLWGVRDD-UHFFFAOYSA-N
-rxn:4:222102:223872,CCN(C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1)C1CCCCC1,WDPDSDACZFNMPH-UHFFFAOYSA-N
-rxn:4:222102:223884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,ZXPYEQUBUMWZCZ-UHFFFAOYSA-N
-rxn:4:222102:223886,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7c6CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,VXAXGAXZHDZUAK-UHFFFAOYSA-N
-rxn:4:222102:223888,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)N(C(=O)OC(C)(C)C)CCC7)cc5)no4)C3C2=O)cc1,YFNVFGPLEQEPFZ-UHFFFAOYSA-N
-rxn:4:222102:223916,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,WDNNOUDZFWJWPH-UHFFFAOYSA-N
-rxn:4:222102:223929,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,DBWKXDVSIWPOIE-UHFFFAOYSA-N
-rxn:4:222102:223932,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(Cl)cccc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,RHYRHBCZLQZHOL-UHFFFAOYSA-N
-rxn:4:222102:223951,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,WXMUJFNAIYDOQC-UHFFFAOYSA-N
-rxn:4:222102:223979,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,SLLDQZPOOUSNBY-UHFFFAOYSA-N
-rxn:4:222102:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)c2)CC1,NYPHGGWUQXHHIU-UHFFFAOYSA-N
-rxn:4:222102:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)CC1,WVTWVRXWEAGRRH-UHFFFAOYSA-N
-rxn:4:222102:223985,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCCCC1,JYPSZNWQGOBAEJ-UHFFFAOYSA-N
-rxn:4:222102:224009,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCOCC1,GEUTWIYRENMKFR-UHFFFAOYSA-N
-rxn:4:222102:224011,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,DWGQQNMHHJJVJN-UHFFFAOYSA-N
-rxn:4:222102:224125,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C8CC8)CC7)cc6)cc5)no4)C3C2=O)cc1,XSRDDAMRJCLPQW-UHFFFAOYSA-N
-rxn:4:222102:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)c2)CC1,LVACLIBPZSANIT-UHFFFAOYSA-N
-rxn:4:222102:224127,CCN1CCN(C(C)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc2)CC1,TWYRQOHKFAXVPS-UHFFFAOYSA-N
-rxn:4:222102:224129,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N(C)C7CCCCC7)c6)cc5)no4)C3C2=O)cc1,IWBRZKPMTFKMNV-UHFFFAOYSA-N
-rxn:4:222102:224153,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,BFFOHGHSAADAMN-UHFFFAOYSA-N
-rxn:4:222102:224167,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN(C)C(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,RTGYSNWYTRSUND-UHFFFAOYSA-N
-rxn:4:222102:224170,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,NECDMKFCLKYXJV-UHFFFAOYSA-N
-rxn:4:222102:224172,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,COLUMNZQHMCUGK-UHFFFAOYSA-N
-rxn:4:222102:224193,CCN1CCN(Cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)ccc2F)CC1,NCFAUWFSSQKHCA-UHFFFAOYSA-N
-rxn:4:222102:224194,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,KBOHFYXCRCGTTE-UHFFFAOYSA-N
-rxn:4:222102:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc2)CC1,QYGOCMLNMQGRQM-UHFFFAOYSA-N
-rxn:4:222102:224249,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCC(C)C7)ccc6F)cc5)no4)C3C2=O)cc1,LWSDMVDBFRHXDN-UHFFFAOYSA-N
-rxn:4:222102:224285,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,SVHGPFDICGDFGG-UHFFFAOYSA-N
-rxn:4:222102:224286,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,ILSZHOJCCCMRSF-UHFFFAOYSA-N
-rxn:4:222102:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1C,QUZWWBFRFZWJLY-UHFFFAOYSA-N
-rxn:4:222102:224309,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c6F)cc5)no4)C3C2=O)cc1,TVSKCIXDAYANRN-UHFFFAOYSA-N
-rxn:4:222102:224313,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,AQOBFNKFSSZREK-UHFFFAOYSA-N
-rxn:4:222102:224317,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,QTCXJDIIPBTWFI-UHFFFAOYSA-N
-rxn:4:222102:224318,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,DMFLAUITWJWAKY-UHFFFAOYSA-N
-rxn:4:222102:224321,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,ZTWXHDVSRTYLBZ-UHFFFAOYSA-N
-rxn:4:222102:224325,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCN(S(C)(=O)=O)CC7)cc6)cc5)no4)C3C2=O)cc1,XZYHVIGRXZHVAZ-UHFFFAOYSA-N
-rxn:4:222102:224359,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,UZKSOUDCFJXECW-UHFFFAOYSA-N
-rxn:4:222102:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,ZDRCUDDAWLSENQ-UHFFFAOYSA-N
-rxn:4:222102:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(F)cc1C,MWTSLMJIMMVJBJ-UHFFFAOYSA-N
-rxn:4:222102:224372,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,QHWXDOFOIYQPLR-UHFFFAOYSA-N
-rxn:4:222102:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,JMLPTUIEDJJKNV-UHFFFAOYSA-N
-rxn:4:222102:224377,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,ZCQMXJAZZNQMJE-UHFFFAOYSA-N
-rxn:4:222102:224379,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCN(C)CC6)cc5)no4)C3C2=O)cc1,QXBITMBXUIJPMU-UHFFFAOYSA-N
-rxn:4:222102:224395,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCOCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,KVHDNMVKLUZPBR-UHFFFAOYSA-N
-rxn:4:222102:224396,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCOCC7)c(C)c6)cc5)no4)C3C2=O)cc1,BJVHNUBFZFQDAM-UHFFFAOYSA-N
-rxn:4:222102:224399,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,BDDIHCNHIPUPIK-UHFFFAOYSA-N
-rxn:4:222102:224401,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,ZWHQALYUGZJRED-UHFFFAOYSA-N
-rxn:4:222102:224403,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,SYKKGWZMVVBYAU-UHFFFAOYSA-N
-rxn:4:222102:224421,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5)no4)C3C2=O)cc1,DUTYQKOULFQYMO-UHFFFAOYSA-N
-rxn:4:222102:224426,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCCC7)cc(C7CC7)c6)cc5)no4)C3C2=O)cc1,SQIBRRXUJLQFLR-UHFFFAOYSA-N
-rxn:4:222102:224502,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCCCN7C)c6)cc5)no4)C3C2=O)cc1,DRXLFAOMSOPIOS-UHFFFAOYSA-N
-rxn:4:222102:224570,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,FNAYJUZRTPUECP-UHFFFAOYSA-N
-rxn:4:222102:224571,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,JFFZZPXUPVWGNI-UHFFFAOYSA-N
-rxn:4:222102:224584,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,PUQUNDYKKMCIMI-UHFFFAOYSA-N
-rxn:4:222102:224597,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,OIPZDFVMNJBUHP-UHFFFAOYSA-N
-rxn:4:222102:224599,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)C7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,NZBALXKGKDMSQJ-UHFFFAOYSA-N
-rxn:4:222102:224607,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OCC[Si](C)(C)C)cc6)cc5)no4)C3C2=O)cc1,JBEVGJQYUKAQBW-UHFFFAOYSA-N
-rxn:4:222102:224615,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,VSYWRGJMSQLBIY-UHFFFAOYSA-N
-rxn:4:222102:224616,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6OCCN6CCOCC6)cc5)no4)C3C2=O)cc1,CNIDUGIOIXHHQO-UHFFFAOYSA-N
-rxn:4:222102:224617,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,BMALIIKPCRXLAL-UHFFFAOYSA-N
-rxn:4:222102:224627,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CC(N(C)C)C7)cc6)cc5)no4)C3C2=O)cc1,PMIJAPHOLQZNRV-UHFFFAOYSA-N
-rxn:4:222102:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,ZOZVUBGVCJJCHW-UHFFFAOYSA-N
-rxn:4:222102:224634,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1CN1CCOCC1,JTQSXORBBZZYSH-UHFFFAOYSA-N
-rxn:4:222102:224648,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6Cl)cc5)no4)C3C2=O)cc1,SFQUKQWLAFOBGJ-UHFFFAOYSA-N
-rxn:4:222102:224666,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,DSCDSORYXOQVOC-UHFFFAOYSA-N
-rxn:4:222102:224670,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCN(C)CC7)ccc6F)cc5)no4)C3C2=O)cc1,MUYFVWTZMACQBU-UHFFFAOYSA-N
-rxn:4:222102:224672,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,JPXVBFBARZAWOC-UHFFFAOYSA-N
-rxn:4:222102:224682,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,RHNBWEORAXMHGK-UHFFFAOYSA-N
-rxn:4:222102:224686,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1,OTGZZFZFGHAFSR-UHFFFAOYSA-N
-rxn:4:222102:224687,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCC(=O)CC7)c6)cc5)no4)C3C2=O)cc1,XRQFMEKNTIGVJA-UHFFFAOYSA-N
-rxn:4:222102:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1,CPMVJYFRSSEEGM-UHFFFAOYSA-N
-rxn:4:222102:224718,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,FGKBSQKBDMTYMS-UHFFFAOYSA-N
-rxn:4:222102:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,RFNWQJWCPZTMGI-UHFFFAOYSA-N
-rxn:4:222102:224753,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCCC7)ccc6C)cc5)no4)C3C2=O)cc1,OBHIBOFVRWVVNG-UHFFFAOYSA-N
-rxn:4:222102:224761,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCCC7)c6)cc5)no4)C3C2=O)cc1,HYBBTELAESYIDH-UHFFFAOYSA-N
-rxn:4:222102:224762,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1,UHIPKJYDKCQXTI-UHFFFAOYSA-N
-rxn:4:222102:224771,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,JJMBWINWXZAGMO-UHFFFAOYSA-N
-rxn:4:222102:224773,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)c(C)c6)cc5)no4)C3C2=O)cc1,BVYYPIDCLWDDAP-UHFFFAOYSA-N
-rxn:4:222102:224780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,GDIAILIKUGKGNG-UHFFFAOYSA-N
-rxn:4:222102:224790,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1OC(F)(F)F,NCXRVKHZRIPDJU-UHFFFAOYSA-N
-rxn:4:222102:224791,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)C)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,CTUBZBDGGLCWCT-UHFFFAOYSA-N
-rxn:4:222102:224796,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(S(=O)(=O)OCC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,GCABTOGTPVEQIO-UHFFFAOYSA-N
-rxn:4:222102:224797,CCCCOc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(F)c1F,XOLRDZSMDHWIDS-UHFFFAOYSA-N
-rxn:4:222102:224802,COC(OC)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,XTXGQOQLDITGNU-UHFFFAOYSA-N
-rxn:4:222102:224804,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)c(OC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,IQCJIVIGAHOIOU-UHFFFAOYSA-N
-rxn:4:222102:224824,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7OCCO7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,ZUJVETPUKBVPBV-UHFFFAOYSA-N
-rxn:4:222102:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1F,YIGNZPGIEOGWPS-UHFFFAOYSA-N
-rxn:4:222102:224842,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)C(C)(C)CCC7(C)C)cc5)no4)C3C2=O)cc1,MZLQRDFTDRCBLH-UHFFFAOYSA-N
-rxn:4:222102:224845,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,YGFURROPTCOUDW-UHFFFAOYSA-N
-rxn:4:222102:224863,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN(C(C)C)C(C)C)cc5)no4)C3C2=O)cc1,RLHHYMCZRFMYJO-UHFFFAOYSA-N
-rxn:4:222102:224930,CCN(CC)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1OC,ATNSUMNSJXJNIA-UHFFFAOYSA-N
-rxn:4:222102:224931,CCN(CC)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C2CC2)n1,VXAIYIAJQIHYCY-UHFFFAOYSA-N
-rxn:4:222102:224933,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)cc6)cc5)no4)C3C2=O)cc1,BCAGVVIGKSQPHA-UHFFFAOYSA-N
-rxn:4:222102:224937,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc2)CC1,FDYXRFBKUKMQEC-UHFFFAOYSA-N
-rxn:4:222102:224941,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,GWTKMVOYWRITOG-UHFFFAOYSA-N
-rxn:4:222102:224952,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,XLHSZADYJFLIBK-UHFFFAOYSA-N
-rxn:4:222102:224962,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COC6CCOCC6)cc5)no4)C3C2=O)cc1,NDHXSAGOVQAQLA-UHFFFAOYSA-N
-rxn:4:222102:224963,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,NAZFNTGVVJPSFU-UHFFFAOYSA-N
-rxn:4:222102:224999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,GDFGQKDKOBKYON-UHFFFAOYSA-N
-rxn:4:222102:225007,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCCCC7)c6F)cc5)no4)C3C2=O)cc1,SPPWNAXGYPOLTE-UHFFFAOYSA-N
-rxn:4:222102:225008,COC1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc2)CC1,FMHMHDCNUVMVGF-UHFFFAOYSA-N
-rxn:4:222102:225054,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6Cl)cc5)no4)C3C2=O)cc1,FFJAESOZPMSTHJ-UHFFFAOYSA-N
-rxn:4:222102:225086,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1,HBVQZDKUWJMHJL-UHFFFAOYSA-N
-rxn:4:222102:225088,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1OCCN(C)C,FZKLJROGMGKLET-UHFFFAOYSA-N
-rxn:4:222102:225098,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)nc6)cc5)no4)C3C2=O)cc1,NDBRHSDWUHPBMP-UHFFFAOYSA-N
-rxn:4:222102:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,DYSACBDUAIYSCK-UHFFFAOYSA-N
-rxn:4:222102:225101,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1Cl,DGGUVBPQXOCOIT-UHFFFAOYSA-N
-rxn:4:222102:225102,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1F,NGQDGQZZWPMZEB-UHFFFAOYSA-N
-rxn:4:222102:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,JPISGSVVEXKBIM-UHFFFAOYSA-N
-rxn:4:222102:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,BVWYHMWMPGXERS-UHFFFAOYSA-N
-rxn:4:222102:225107,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1F,OGLOMOTVDTYYGK-UHFFFAOYSA-N
-rxn:4:222102:225115,CCOc1c(Cl)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1OC(C)C,RCIYVXKXLOGUJF-UHFFFAOYSA-N
-rxn:4:222102:225124,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(OCC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,VRZIZQVZTZYLKP-UHFFFAOYSA-N
-rxn:4:222102:225144,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6C#N)cc5)no4)C3C2=O)cc1,GXPSYTXHJDUTPO-UHFFFAOYSA-N
-rxn:4:222102:225145,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,ATIUSYAVXATEGP-UHFFFAOYSA-N
-rxn:4:222102:225155,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,RWMODIYOOWSSSW-UHFFFAOYSA-N
-rxn:4:222102:225158,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCSCC7)cc6)cc5)no4)C3C2=O)cc1,HQOZWZPIWWIHLA-UHFFFAOYSA-N
-rxn:4:222102:225160,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,VOZOACBQHVMIOP-UHFFFAOYSA-N
-rxn:4:222102:225162,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,GNGMLWGICYWCJY-UHFFFAOYSA-N
-rxn:4:222102:225165,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1N1CCOCC1,VYTWRBNUVOVOPZ-UHFFFAOYSA-N
-rxn:4:222102:225171,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,XPASWRQRONHRGX-UHFFFAOYSA-N
-rxn:4:222102:225178,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,VMDQAHOWIMYPSZ-UHFFFAOYSA-N
-rxn:4:222102:225180,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)cc6Cl)cc5)no4)C3C2=O)cc1,OXXZXLYLWUCJHK-UHFFFAOYSA-N
-rxn:4:222102:225182,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(OC7CCCCC7)c6Cl)cc5)no4)C3C2=O)cc1,HRSKLZCZXNJWKC-UHFFFAOYSA-N
-rxn:4:222102:225189,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7C(=O)CCC7=O)c6)cc5)no4)C3C2=O)cc1,MRKXFUUNIWHSJY-UHFFFAOYSA-N
-rxn:4:222102:225193,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COCCO7)c(C#N)c6)cc5)no4)C3C2=O)cc1,JLUFAIYGXFTGQZ-UHFFFAOYSA-N
-rxn:4:222102:225203,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)c(C7CC7)cc6C)cc5)no4)C3C2=O)cc1,DKHXIXFRNLJUBH-UHFFFAOYSA-N
-rxn:4:222102:225212,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,SUDXDASOAUVDRZ-UHFFFAOYSA-N
-rxn:4:222102:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,XFRRZIJGPWAKOF-UHFFFAOYSA-N
-rxn:4:222102:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1,XWDNCQFLZDAJCB-UHFFFAOYSA-N
-rxn:4:222102:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,KZKRMMCSNVQXRV-UHFFFAOYSA-N
-rxn:4:222102:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,RRUBSEFCYHJPFE-UHFFFAOYSA-N
-rxn:4:222102:225264,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1C(=O)OC,ZWCMIQQTNWASKG-UHFFFAOYSA-N
-rxn:4:222102:225267,CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,XOSQERKWCNZTLI-UHFFFAOYSA-N
-rxn:4:222102:225270,CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,CVULBQJYIRYJIC-UHFFFAOYSA-N
-rxn:4:222102:225282,CCC(C)c1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,QQRATMNMEPWPPN-UHFFFAOYSA-N
-rxn:4:222102:225284,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C(F)(F)F)c(CC(C)C)c6)cc5)no4)C3C2=O)cc1,FTANMLXBQPDSQP-UHFFFAOYSA-N
-rxn:4:222102:225288,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,PFMKOLPOSZZXMI-UHFFFAOYSA-N
-rxn:4:222102:225291,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)cc6OC(C)C)cc5)no4)C3C2=O)cc1,YMLZDJHFVSEQFC-UHFFFAOYSA-N
-rxn:4:222102:225295,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCCC6)cc5)no4)C3C2=O)cc1,HSGRYPHXWFFJJI-UHFFFAOYSA-N
-rxn:4:222102:225303,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,XYHQIZBCGCDPFB-UHFFFAOYSA-N
-rxn:4:222102:225305,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,GZKZJLCRXRWUBQ-UHFFFAOYSA-N
-rxn:4:222102:225307,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,CPHCIUHTUMMMST-UHFFFAOYSA-N
-rxn:4:222102:225320,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(F)c6F)cc5)no4)C3C2=O)cc1,UCBWELYCOLTURC-UHFFFAOYSA-N
-rxn:4:222102:225326,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,KYSFVFUOEFHFOF-UHFFFAOYSA-N
-rxn:4:222102:225340,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1OC(F)(F)F,UHJGDURTBJEVJP-UHFFFAOYSA-N
-rxn:4:222102:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,DLXSSWYPRZZHBD-UHFFFAOYSA-N
-rxn:4:222102:225346,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N(C)C,RDCZIXHRFBUONG-UHFFFAOYSA-N
-rxn:4:222102:225347,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,XSPVONVFBPVWAI-UHFFFAOYSA-N
-rxn:4:222102:225349,CCCOc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(F)c1F,FRWAMZYLZRALLC-UHFFFAOYSA-N
-rxn:4:222102:225352,CC(=O)Oc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,WGCDQZZNRQGHAL-UHFFFAOYSA-N
-rxn:4:222102:225358,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,XAQQCLKCRARQKX-UHFFFAOYSA-N
-rxn:4:222102:225364,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N(C)C)c(C)cc6F)cc5)no4)C3C2=O)cc1,AEIYMFGPLYJDBJ-UHFFFAOYSA-N
-rxn:4:222102:225366,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(F)F)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,UXAHAITUFMOKOG-UHFFFAOYSA-N
-rxn:4:222102:225383,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,NGIVNTZSPDWIHS-UHFFFAOYSA-N
-rxn:4:222102:225805,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)s6)cc5)no4)C3C2=O)cc1,RBNKDLKXTIRVPW-UHFFFAOYSA-N
-rxn:4:222102:225898,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,PXEFWCZLPGTHMJ-UHFFFAOYSA-N
-rxn:4:222102:225992,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(CC(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1,HDBVLXOWNFNUSG-UHFFFAOYSA-N
-rxn:4:222108:222819,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)N7CCOCC7)nc6)cc5)no4)C3C2=O)cc1F,XNDWVPKDLWIJGM-UHFFFAOYSA-N
-rxn:4:222108:222991,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC(O)C7)cc6)cc5)no4)C3C2=O)cc1F,ZOELZYBKNBQCRY-UHFFFAOYSA-N
-rxn:4:222108:223007,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,RABLNBJJKCNXKO-UHFFFAOYSA-N
-rxn:4:222108:223652,COc1ccc(Cl)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c12,QMIYCPHAKXZDOQ-UHFFFAOYSA-N
-rxn:4:222108:223673,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COc7cc(C(F)(F)F)ccc7Cl)c6)cc5)no4)C3C2=O)cc1F,GYOALSZEMPGZGU-UHFFFAOYSA-N
-rxn:4:222108:224597,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,ZIJDGCATKZMSTC-UHFFFAOYSA-N
-rxn:4:222108:225978,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1F,PVJFFNMUPMEICG-UHFFFAOYSA-N
-rxn:4:222120:222388,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)Nc7ccc([N+](=O)[O-])cc7)c6)cc5)no4)C3C2=O)cc1C,HMWKPECSVAXLFG-UHFFFAOYSA-N
-rxn:4:222120:222389,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1C,ZXDBRPVTERGWFX-UHFFFAOYSA-N
-rxn:4:222120:222393,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N[C@H]7CC[C@H](O)CC7)c6)cc5)no4)C3C2=O)cc1C,MNNNEBIYHSOPAV-UWUJHKGQSA-N
-rxn:4:222120:222402,CCCNC(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,NRNGOOAVTLVZJH-UHFFFAOYSA-N
-rxn:4:222120:222404,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7NC(=O)NC7=O)cc6)cc5)no4)C3C2=O)cc1C,ZSDWIPJCIGRWNJ-UHFFFAOYSA-N
-rxn:4:222120:222405,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7NC(=O)NC7=O)c6)cc5)no4)C3C2=O)cc1C,UCEWKXRYIJTPAD-UHFFFAOYSA-N
-rxn:4:222120:222426,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)C6(CCN(C(=O)OC(C)(C)C)CC6)C(=O)N7)cc5)no4)C3C2=O)cc1C,LIUVRBAKRHDUGK-UHFFFAOYSA-N
-rxn:4:222120:222448,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NCc7ccccc7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,AXJNQPUZOZQKPM-UHFFFAOYSA-N
-rxn:4:222120:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)cc1,HOTWUHJQPUIXGG-UHFFFAOYSA-N
-rxn:4:222120:222461,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)cc5)no4)C3C2=O)cc1C,GIMZPFUCHAEKIA-UHFFFAOYSA-N
-rxn:4:222120:222466,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1C,YNEBLUCVMTUADA-UHFFFAOYSA-N
-rxn:4:222120:222601,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7sc(NC(=O)OC(C)(C)C)nc67)cc5)no4)C3C2=O)cc1C,FVXBREXIQVCXEZ-UHFFFAOYSA-N
-rxn:4:222120:222607,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC7CCN(S(C)(=O)=O)CC7)cc6)cc5)no4)C3C2=O)cc1C,KDCYSONKIWJJHF-UHFFFAOYSA-N
-rxn:4:222120:222614,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,WVCGBXCDELPSRU-UHFFFAOYSA-N
-rxn:4:222120:222698,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,HFJWCYGFIYQLIL-UHFFFAOYSA-N
-rxn:4:222120:222699,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,RKALOIZEFTVHLM-UHFFFAOYSA-N
-rxn:4:222120:222701,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,MSNNFHJFOFSXCN-UHFFFAOYSA-N
-rxn:4:222120:222705,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,XCIXXPJPUYBTDI-UHFFFAOYSA-N
-rxn:4:222120:222706,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,MBKHBERRKOTABY-UHFFFAOYSA-N
-rxn:4:222120:222724,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCNCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,GBARKMSSNDVEFW-UHFFFAOYSA-N
-rxn:4:222120:222725,CCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,DTWJVCSYRKGWDX-UHFFFAOYSA-N
-rxn:4:222120:222741,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1C,GHMPQVYVBPCTHM-UHFFFAOYSA-N
-rxn:4:222120:222742,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C7CC7)c6)cc5)no4)C3C2=O)cc1C,WFAHSWBLLBUQQS-UHFFFAOYSA-N
-rxn:4:222120:222772,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)NC7CCCC7)c6)cc5)no4)C3C2=O)cc1C,ZVRZVDFVRZQGPK-UHFFFAOYSA-N
-rxn:4:222120:222774,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1C,NXGFMDCWHVGRJH-UHFFFAOYSA-N
-rxn:4:222120:222780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1C,DWAKOIVREKIPMU-UHFFFAOYSA-N
-rxn:4:222120:222791,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OC(C)(C)C)ccc6Cl)cc5)no4)C3C2=O)cc1C,SHEPXUYRQFKUFN-UHFFFAOYSA-N
-rxn:4:222120:222803,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,BUOGLXHUKAUKAZ-UHFFFAOYSA-N
-rxn:4:222120:222808,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,VYYSWEPLHPOWJU-UHFFFAOYSA-N
-rxn:4:222120:222835,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)CC(C)C)cc6)cc5)no4)C3C2=O)cc1C,NXCDRNAGOGMNOW-UHFFFAOYSA-N
-rxn:4:222120:222848,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,NDAACAVMUGCTDW-UHFFFAOYSA-N
-rxn:4:222120:222851,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,LLSSODAJFTVDIN-UHFFFAOYSA-N
-rxn:4:222120:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,IHFHXSDXWRHDGM-UHFFFAOYSA-N
-rxn:4:222120:222861,CCCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1F,UUJLVJGKABFDPM-UHFFFAOYSA-N
-rxn:4:222120:222864,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1C,ZMMYBIBXOAIVNG-UHFFFAOYSA-N
-rxn:4:222120:222886,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C#N)cc5)no4)C3C2=O)cc1C,VKZAVMZOUPTAOP-UHFFFAOYSA-N
-rxn:4:222120:222887,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCNCC7)c6)cc5)no4)C3C2=O)cc1C,CHXXONXLFAKAEC-UHFFFAOYSA-N
-rxn:4:222120:222890,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,UTTILLNHWBULBA-UHFFFAOYSA-N
-rxn:4:222120:222891,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,CBVOPZRITLLNHI-UHFFFAOYSA-N
-rxn:4:222120:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,YQSJDJCCVFTMQB-UHFFFAOYSA-N
-rxn:4:222120:222896,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1C,IAIULDRAFVHNPE-UHFFFAOYSA-N
-rxn:4:222120:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,BQEISGHXXIVVGV-UHFFFAOYSA-N
-rxn:4:222120:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,NYUHSVXCQWGWLK-UHFFFAOYSA-N
-rxn:4:222120:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(Cl)c1,IIMPHRZNHBGMPA-UHFFFAOYSA-N
-rxn:4:222120:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,MZVNJKAGNYQAML-UHFFFAOYSA-N
-rxn:4:222120:222913,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)C7CC7)cc6)cc5)no4)C3C2=O)cc1C,PVINOUZDPQBUAZ-UHFFFAOYSA-N
-rxn:4:222120:222916,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7=NCCS7)c6)cc5)no4)C3C2=O)cc1C,LOPKZFWZWXPYNE-UHFFFAOYSA-N
-rxn:4:222120:222922,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)NC(C)(C)C)cc5)no4)C3C2=O)cc1C,RKOABHASQFFBOS-UHFFFAOYSA-N
-rxn:4:222120:222923,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1C,JKENGGIQACQYLJ-UHFFFAOYSA-N
-rxn:4:222120:222925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,QXHSDNIFFPEYBB-UHFFFAOYSA-N
-rxn:4:222120:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,SDQADNMCTQKSTO-UHFFFAOYSA-N
-rxn:4:222120:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,KKAPBXYNLVZXOB-UHFFFAOYSA-N
-rxn:4:222120:222947,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC(O)C7)nc6Cl)cc5)no4)C3C2=O)cc1C,WTIBWBRTVCQWPA-UHFFFAOYSA-N
-rxn:4:222120:222961,CCCCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,WGLMFAJUPBBYPL-UHFFFAOYSA-N
-rxn:4:222120:222963,CCCNC(=O)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,ZTEBKBSFPCPRFK-UHFFFAOYSA-N
-rxn:4:222120:222965,CCCC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,JJOGYAGCBSFNIC-UHFFFAOYSA-N
-rxn:4:222120:222967,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC(C)C)c6)cc5)no4)C3C2=O)cc1C,LFEPLLXYFZTPTR-UHFFFAOYSA-N
-rxn:4:222120:222978,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CCC7)cc6)cc5)no4)C3C2=O)cc1C,FUFKHBLSLUKUJB-UHFFFAOYSA-N
-rxn:4:222120:222983,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)C7)c6)cc5)no4)C3C2=O)cc1C,QYWCIDZOGWFUDJ-UHFFFAOYSA-N
-rxn:4:222120:222985,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCNC7)nc6C)cc5)no4)C3C2=O)cc1C,AXNMKEHTIGIOBS-UHFFFAOYSA-N
-rxn:4:222120:222989,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C)cc5)no4)C3C2=O)cc1C,UOJMXMJSDHTSGS-UHFFFAOYSA-N
-rxn:4:222120:222990,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1C,QKAXEPBLYRODIM-UHFFFAOYSA-N
-rxn:4:222120:222993,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCCC7O)c6)cc5)no4)C3C2=O)cc1C,AIRDPSNFTWLUIQ-UHFFFAOYSA-N
-rxn:4:222120:222994,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1C,GPZCYBJNYDVECL-UHFFFAOYSA-N
-rxn:4:222120:222998,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1C,IIGYNKFOZVOUQK-UHFFFAOYSA-N
-rxn:4:222120:222999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1C,ZOVYHKPEAXMXIM-UHFFFAOYSA-N
-rxn:4:222120:223001,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6F)cc5)no4)C3C2=O)cc1C,CMKHVGIVVUELSJ-UHFFFAOYSA-N
-rxn:4:222120:223018,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)NC(=O)C(C)(C)O7)cc5)no4)C3C2=O)cc1C,WBJIWGOYOLCJIO-UHFFFAOYSA-N
-rxn:4:222120:223020,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCC#N)cc6)cc5)no4)C3C2=O)cc1C,IGQCJBHMBLTHPX-UHFFFAOYSA-N
-rxn:4:222120:223026,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1F,IIZWLENOANLQTB-UHFFFAOYSA-N
-rxn:4:222120:223029,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)C)cc6)cc5)no4)C3C2=O)cc1C,BOWDDFUSZZOBFS-UHFFFAOYSA-N
-rxn:4:222120:223033,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(Cl)c1,DIMWPJLJQQVKNQ-UHFFFAOYSA-N
-rxn:4:222120:223040,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,XFGRZUSULOTXCX-UHFFFAOYSA-N
-rxn:4:222120:223041,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)ccc6F)cc5)no4)C3C2=O)cc1C,BXYGBHFHXHSPOG-UHFFFAOYSA-N
-rxn:4:222120:223042,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1C,DEKZZYDVOXCCSR-UHFFFAOYSA-N
-rxn:4:222120:223050,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1C,VOEORMOHVLBTOP-UHFFFAOYSA-N
-rxn:4:222120:223051,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)ccc6Cl)cc5)no4)C3C2=O)cc1C,NHNSSXMTAXNENS-UHFFFAOYSA-N
-rxn:4:222120:223055,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)nc6C)cc5)no4)C3C2=O)cc1C,GVTORUHHOCNPCG-UHFFFAOYSA-N
-rxn:4:222120:223056,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1C,KQZZVJKVKBBNPK-UHFFFAOYSA-N
-rxn:4:222120:223058,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1C,XEMAIAUUGYTLPR-UHFFFAOYSA-N
-rxn:4:222120:223061,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ncc6F)cc5)no4)C3C2=O)cc1C,WQVODOUGQXEMMK-UHFFFAOYSA-N
-rxn:4:222120:223062,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1C,GCFGTRCEOABZOI-UHFFFAOYSA-N
-rxn:4:222120:223065,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1C,LIEBGCSCDKMVAN-UHFFFAOYSA-N
-rxn:4:222120:223076,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1C,IGMKVXQYGAIJMK-UHFFFAOYSA-N
-rxn:4:222120:223078,CCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C)c1,XHSCPIBHXHQMLL-UHFFFAOYSA-N
-rxn:4:222120:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1C,MHIATDIZWRLBKL-UHFFFAOYSA-N
-rxn:4:222120:223095,CC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],IELZHQRRUFNCLG-UHFFFAOYSA-N
-rxn:4:222120:223101,CNS(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1OC,KSNQOYKWZGBSMK-UHFFFAOYSA-N
-rxn:4:222120:223106,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)C7)nc6Cl)cc5)no4)C3C2=O)cc1C,BKNCAFDFZHYKDH-UHFFFAOYSA-N
-rxn:4:222120:223490,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1C,ODMKZGBUUDIMAZ-UHFFFAOYSA-N
-rxn:4:222120:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c3ccccc23)CC1,ZKQHYVBZWNCTMG-UHFFFAOYSA-N
-rxn:4:222120:223577,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1C,CPVAFMRHXQTNCD-UHFFFAOYSA-N
-rxn:4:222120:223650,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6N6CCN(C(=O)OC(C)(C)C)CC6)cc5)no4)C3C2=O)cc1C,MOMNMXYNDWJGFO-UHFFFAOYSA-N
-rxn:4:222120:223660,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc5)no4)C3C2=O)cc1C,OTNSSWMFFXVUJV-UHFFFAOYSA-N
-rxn:4:222120:223685,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c(OCc7cccnc7)c6)cc5)no4)C3C2=O)cc1C,JAWBUZXAESBZII-UHFFFAOYSA-N
-rxn:4:222120:223690,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cn1S(=O)(=O)c1ccc(C)cc1,SPOCRIOOZZRXMA-UHFFFAOYSA-N
-rxn:4:222120:223743,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(OCCCN7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1C,MWYSQPLPJZPICS-UHFFFAOYSA-N
-rxn:4:222120:223755,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCC(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,XGPVDTLXWALUGW-UHFFFAOYSA-N
-rxn:4:222120:223761,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCN7C(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1C,DWOXZCFJDUTWNZ-UHFFFAOYSA-N
-rxn:4:222120:223762,COC(=O)c1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C)n(Cc2ccccc2)c1C,PDMLYLPYVCLZEM-UHFFFAOYSA-N
-rxn:4:222120:223812,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCC8(CC7)OCCO8)c6)cc5)no4)C3C2=O)cc1C,IYCFBIYEJOUVLB-UHFFFAOYSA-N
-rxn:4:222120:223823,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1C,GYSKXZYMMCIEFO-UHFFFAOYSA-N
-rxn:4:222120:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,HBXHKJBLEKATIQ-UHFFFAOYSA-N
-rxn:4:222120:223838,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(S(=O)(=O)N(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1C,BJVKCTHJWDQVJT-UHFFFAOYSA-N
-rxn:4:222120:223872,CCN(C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1)C1CCCCC1,KXGOAIHTMXEQIL-UHFFFAOYSA-N
-rxn:4:222120:223893,CCN1CCN(CCOc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)CC1,KHRFAJASDJVQPE-UHFFFAOYSA-N
-rxn:4:222120:223979,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,APQPCERRULAXAF-UHFFFAOYSA-N
-rxn:4:222120:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)CC1,SEUXRXWASPXXLY-UHFFFAOYSA-N
-rxn:4:222120:223992,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,MAIHFBWRHFQYOX-UHFFFAOYSA-N
-rxn:4:222120:223993,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(C)c6)cc5)no4)C3C2=O)cc1C,ZJIHFGZXEGDNJP-UHFFFAOYSA-N
-rxn:4:222120:223998,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,VSTQNQUEELANEN-UHFFFAOYSA-N
-rxn:4:222120:224006,COc1nc2ccc(OC(F)(F)F)cc2cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,CGEFERIYMHZPNM-UHFFFAOYSA-N
-rxn:4:222120:224008,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCOCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,PEXCRGFKUQCKJN-UHFFFAOYSA-N
-rxn:4:222120:224009,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCOCC1,VWEMBMCQZZFBSG-UHFFFAOYSA-N
-rxn:4:222120:224011,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,ZPKGUSQPDKJUCT-UHFFFAOYSA-N
-rxn:4:222120:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)CC1,YTXDHPSBRNIZGX-UHFFFAOYSA-N
-rxn:4:222120:224127,CCN1CCN(C(C)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)CC1,AXZOKFVMLXUFCP-UHFFFAOYSA-N
-rxn:4:222120:224170,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,CRCJWIMFLPXNFC-UHFFFAOYSA-N
-rxn:4:222120:224194,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2Cl)CC1,WEDOHCBPHZUEHO-UHFFFAOYSA-N
-rxn:4:222120:224258,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7C)cc6Cl)cc5)no4)C3C2=O)cc1C,JHFIZMKNXDTJDO-UHFFFAOYSA-N
-rxn:4:222120:224286,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,VDQPXVVHXPCIPR-UHFFFAOYSA-N
-rxn:4:222120:224313,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,XRIBKJKJJPXFHB-UHFFFAOYSA-N
-rxn:4:222120:224355,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC8(CC7)OCCO8)nc6)cc5)no4)C3C2=O)cc1C,WABMVTYOSCJKBU-UHFFFAOYSA-N
-rxn:4:222120:224376,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,FSBKWBACDWZDRV-UHFFFAOYSA-N
-rxn:4:222120:224377,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1C,KBHDBQLDDPQVFA-UHFFFAOYSA-N
-rxn:4:222120:224379,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCN(C)CC6)cc5)no4)C3C2=O)cc1C,BNVCUBXOOPYFNE-UHFFFAOYSA-N
-rxn:4:222120:224400,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,YCVOTLMJYCELCK-UHFFFAOYSA-N
-rxn:4:222120:224401,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,ONHMOZIKJXRZSQ-UHFFFAOYSA-N
-rxn:4:222120:224487,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCCC7)c6)cc5)no4)C3C2=O)cc1C,KSKKHTUVOLDCGV-UHFFFAOYSA-N
-rxn:4:222120:224492,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCC(=O)N7CCCC7)cc6)cc5)no4)C3C2=O)cc1C,ABOYMDDNNUTYDJ-UHFFFAOYSA-N
-rxn:4:222120:224494,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCOC7CCCCO7)cc6)cc5)no4)C3C2=O)cc1C,PCHUAJNWNIMWPP-UHFFFAOYSA-N
-rxn:4:222120:224501,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCCCN7C)cc6)cc5)no4)C3C2=O)cc1C,GSNDOZDOFDANRQ-UHFFFAOYSA-N
-rxn:4:222120:224570,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1C,PPLIFMOBBOXKRC-UHFFFAOYSA-N
-rxn:4:222120:224571,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1C,QIBXWCVBHPBLFR-UHFFFAOYSA-N
-rxn:4:222120:224582,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C8CC8)CC7)c6)cc5)no4)C3C2=O)cc1C,XMNDXGPIBMTCSA-UHFFFAOYSA-N
-rxn:4:222120:224597,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,WSTJPWRGQUAHCK-UHFFFAOYSA-N
-rxn:4:222120:224605,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(OC)c1,ZMGDWKOVUIBFQF-UHFFFAOYSA-N
-rxn:4:222120:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,IJWWKFZGWWCNSO-UHFFFAOYSA-N
-rxn:4:222120:224646,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1C,KZXFRHPEMCLZHL-UHFFFAOYSA-N
-rxn:4:222120:224656,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)c1OC1CCCC1,YQQPMHGUJLKPEE-UHFFFAOYSA-N
-rxn:4:222120:224659,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,UDVMNNNLRZAXGF-UHFFFAOYSA-N
-rxn:4:222120:224672,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,LPQDVSBFDKKSSB-UHFFFAOYSA-N
-rxn:4:222120:224687,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCC(=O)CC7)c6)cc5)no4)C3C2=O)cc1C,HETMVXQPRNROQB-UHFFFAOYSA-N
-rxn:4:222120:224690,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6F)cc5)no4)C3C2=O)cc1C,TVNMNLQUEIOPEH-UHFFFAOYSA-N
-rxn:4:222120:224729,COc1nccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1C(=O)OC(C)(C)C,WYXHCARNBOFPQD-UHFFFAOYSA-N
-rxn:4:222120:224731,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)OCC(C)(C)C)c6)cc5)no4)C3C2=O)cc1C,YZFDTUNSHIVFHP-UHFFFAOYSA-N
-rxn:4:222120:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,WRKXJOHZWUSNIG-UHFFFAOYSA-N
-rxn:4:222120:224746,CC(=O)N1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cn2)CC1,VXCMQOZXDOQLIC-UHFFFAOYSA-N
-rxn:4:222120:224772,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)cc6Cl)cc5)no4)C3C2=O)cc1C,BLLBKXGPMSEURE-UHFFFAOYSA-N
-rxn:4:222120:224773,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)c(C)c6)cc5)no4)C3C2=O)cc1C,KEBIJTSNGUKLIC-UHFFFAOYSA-N
-rxn:4:222120:224781,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,SUSGIFJJFKDLQJ-UHFFFAOYSA-N
-rxn:4:222120:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1F,JQLIBWKRZFEDQI-UHFFFAOYSA-N
-rxn:4:222120:224806,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C7CC7)cc6F)cc5)no4)C3C2=O)cc1C,RMRBXLOSNMSXSB-UHFFFAOYSA-N
-rxn:4:222120:224811,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,OJJHUPDDUBBJLK-UHFFFAOYSA-N
-rxn:4:222120:224824,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7OCCO7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,IWMRKHDIXVUTSN-UHFFFAOYSA-N
-rxn:4:222120:224829,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1OC(F)(F)F,HHBUPDJMHPFBLK-UHFFFAOYSA-N
-rxn:4:222120:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)CC1,PCTBBSMXZYSJRU-BPFSXECUSA-N
-rxn:4:222120:224883,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCCCC7)cc6)cc5)no4)C3C2=O)cc1C,ZLUPBUZYCZERHQ-UHFFFAOYSA-N
-rxn:4:222120:224893,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)nc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1C,RBPIOQAUVIZJPA-UHFFFAOYSA-N
-rxn:4:222120:224931,CCN(CC)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CC2)n1,AMFMKNAYGWDXQD-UHFFFAOYSA-N
-rxn:4:222120:224974,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCN(C)CC6)cc5)no4)C3C2=O)cc1C,CHUMXHMDZAKACD-UHFFFAOYSA-N
-rxn:4:222120:224975,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)CC1,QBOCIMGFRANKBI-UHFFFAOYSA-N
-rxn:4:222120:224977,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1C,XUMRJNCSNYYIQK-UHFFFAOYSA-N
-rxn:4:222120:224991,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1C,OEOPSTBQHRYYQA-UHFFFAOYSA-N
-rxn:4:222120:224999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1C,SBIKBHDIYYWBEA-UHFFFAOYSA-N
-rxn:4:222120:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,JVESIJSDSARFNS-UHFFFAOYSA-N
-rxn:4:222120:225086,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1C,XXTINHSDDMCHFL-UHFFFAOYSA-N
-rxn:4:222120:225101,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1Cl,XXWTVSWJZNRAGG-UHFFFAOYSA-N
-rxn:4:222120:225106,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1Cl,DLLLPNJYHNVZQJ-UHFFFAOYSA-N
-rxn:4:222120:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)CC1,FILWBXLZNQROMF-UHFFFAOYSA-N
-rxn:4:222120:225163,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6C(=O)N6CCOCC6)cc5)no4)C3C2=O)cc1C,LFALJUYEWXAOQU-UHFFFAOYSA-N
-rxn:4:222120:225176,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,JXXBEZYSSRORAG-UHFFFAOYSA-N
-rxn:4:222120:225191,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1C,OAXBDMZDLCUXFI-UHFFFAOYSA-N
-rxn:4:222120:225212,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,FEBMLBDCDKGXFQ-UHFFFAOYSA-N
-rxn:4:222120:225227,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,DVHCEKZJLKRUHW-UHFFFAOYSA-N
-rxn:4:222120:225234,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)c(F)c6F)cc5)no4)C3C2=O)cc1C,ABMUVMOGWYYIOQ-UHFFFAOYSA-N
-rxn:4:222120:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,MCPFFTGJWGMEMW-UHFFFAOYSA-N
-rxn:4:222120:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,ZYFGYIOMLKMQMI-UHFFFAOYSA-N
-rxn:4:222120:225268,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,RWHGGRYZVWXIBG-UHFFFAOYSA-N
-rxn:4:222120:225277,COC(=O)c1c(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1OC,KOTSQBUWDNPGSI-UHFFFAOYSA-N
-rxn:4:222120:225288,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)C)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,SYJFTMVTGVHYMC-UHFFFAOYSA-N
-rxn:4:222120:225289,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6OC(C)C)cc5)no4)C3C2=O)cc1C,HWZALXXCTSBZJC-UHFFFAOYSA-N
-rxn:4:222120:225311,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)c(C7CC7)cc6Cl)cc5)no4)C3C2=O)cc1C,GLQFQQKYZAQAJN-UHFFFAOYSA-N
-rxn:4:222120:225313,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)nc6F)cc5)no4)C3C2=O)cc1C,QGPULJOMKNOHJL-UHFFFAOYSA-N
-rxn:4:222120:225319,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,FUOFAEDTGZHEHN-UHFFFAOYSA-N
-rxn:4:222120:225320,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(F)c6F)cc5)no4)C3C2=O)cc1C,AKEMBCFQIROFSR-UHFFFAOYSA-N
-rxn:4:222120:225326,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,MVGMFWSENLKOFI-UHFFFAOYSA-N
-rxn:4:222120:225329,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)c(C#N)c6)cc5)no4)C3C2=O)cc1C,GFPOOQJOJQKPQX-UHFFFAOYSA-N
-rxn:4:222120:225330,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(=O)OC)n1,ASNNHENMXBLELH-UHFFFAOYSA-N
-rxn:4:222120:225336,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1C,MOTAHOWOHYWHOD-UHFFFAOYSA-N
-rxn:4:222120:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,WPKOSSLXVPXCQD-UHFFFAOYSA-N
-rxn:4:222120:225346,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N(C)C,YUZRYLQBZPBPIZ-UHFFFAOYSA-N
-rxn:4:222120:225359,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)cc1OC,BVWMOBFAEPJCSZ-UHFFFAOYSA-N
-rxn:4:222120:225370,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)n1,UFQYWTJMLXWEFE-UHFFFAOYSA-N
-rxn:4:222120:225385,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,IAJIWVLQQGTFOZ-UHFFFAOYSA-N
-rxn:4:222120:225387,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc([N+](=O)[O-])cc(C(F)(F)F)c6F)cc5)no4)C3C2=O)cc1C,KYRJSZOKHLMHBD-UHFFFAOYSA-N
-rxn:4:222120:225395,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1C,UGYWAKUUADDYAM-UHFFFAOYSA-N
-rxn:4:222120:225426,CCN(CC)C(C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,WHIKARFATNIQGU-UHFFFAOYSA-N
-rxn:4:222120:225435,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCCCC6)cc5)no4)C3C2=O)cc1C,FFCRTDQWRXFUIR-UHFFFAOYSA-N
-rxn:4:222120:225450,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)C7CCCC7)cc6)cc5)no4)C3C2=O)cc1C,OXWDGZUHSMBKJV-UHFFFAOYSA-N
-rxn:4:222120:225454,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1C,GZJZOCWTSYVYGD-UHFFFAOYSA-N
-rxn:4:222120:225455,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7)ccc6C)cc5)no4)C3C2=O)cc1C,UUYMRJSFXQRNRC-UHFFFAOYSA-N
-rxn:4:222120:225472,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1C,LOGJYUHCKPOAAI-UHFFFAOYSA-N
-rxn:4:222120:225523,CCOC(=O)CCc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,ZECMLCPOJKEIOT-UHFFFAOYSA-N
-rxn:4:222120:225554,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)(C)C)c(C#N)c6)cc5)no4)C3C2=O)cc1C,YTXFOQBVDJOBKK-UHFFFAOYSA-N
-rxn:4:222120:225558,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6OCC6CCOC6)cc5)no4)C3C2=O)cc1C,NBXVVZQFQZZTPR-UHFFFAOYSA-N
-rxn:4:222120:225560,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOC7)c6)cc5)no4)C3C2=O)cc1C,BLTOESKZAVPPAD-UHFFFAOYSA-N
-rxn:4:222120:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,ZDVXMVAFZCCYHM-UHFFFAOYSA-N
-rxn:4:222120:225565,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCCO7)c6)cc5)no4)C3C2=O)cc1C,GDXXJXSOQVZYPN-UHFFFAOYSA-N
-rxn:4:222120:225566,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)no4)C3C2=O)cc1C,RMNWTMLPMYGZEZ-UHFFFAOYSA-N
-rxn:4:222120:225573,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CC2)c1,RCLHSNQMLZKJGB-UHFFFAOYSA-N
-rxn:4:222120:225581,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1C,NUGZBRVOBGYXME-UHFFFAOYSA-N
-rxn:4:222120:225587,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,KQEPMFMWHAOTEB-UHFFFAOYSA-N
-rxn:4:222120:225588,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCSCC6)cc5)no4)C3C2=O)cc1C,NARVPORZKSUGLF-UHFFFAOYSA-N
-rxn:4:222120:225589,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCSCC7)cc6)cc5)no4)C3C2=O)cc1C,DTEXNXCZCSZXPU-UHFFFAOYSA-N
-rxn:4:222120:225591,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1C,IRYXXKGZDNBDAX-UHFFFAOYSA-N
-rxn:4:222120:225593,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1C,KPAXSBSJUUSBHY-UHFFFAOYSA-N
-rxn:4:222120:225596,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1C,IWBXWVIQQKIDCR-UHFFFAOYSA-N
-rxn:4:222120:225617,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCCCO7)cc6)cc5)no4)C3C2=O)cc1C,SJNIDBXFRWGENM-UHFFFAOYSA-N
-rxn:4:222120:225618,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC7CCCCO7)c6)cc5)no4)C3C2=O)cc1C,IHPYAZXNLKIMGX-UHFFFAOYSA-N
-rxn:4:222120:225620,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1C,YBKNHJDFCRYQPT-UHFFFAOYSA-N
-rxn:4:222120:225631,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1C,RDGQVBRNQYPQCK-UHFFFAOYSA-N
-rxn:4:222120:225632,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,QTIOWYNNEFJLPL-UHFFFAOYSA-N
-rxn:4:222120:225634,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7)c(C)c6)cc5)no4)C3C2=O)cc1C,ZNZWHZYOKMIPDU-UHFFFAOYSA-N
-rxn:4:222120:225654,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC(C)C7)nc6)cc5)no4)C3C2=O)cc1C,GCQWXEUZSCTXPU-UHFFFAOYSA-N
-rxn:4:222120:225679,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1C,DZBOFNGPBXKQGI-UHFFFAOYSA-N
-rxn:4:222120:225715,COCCOCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1F,OJEAGIVNKCCJRO-UHFFFAOYSA-N
-rxn:4:222120:225724,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN(C)C)c(F)c6)cc5)no4)C3C2=O)cc1C,OPKVGQCRIIZITL-UHFFFAOYSA-N
-rxn:4:222120:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,VUSLQLXNVJHGPI-UHFFFAOYSA-N
-rxn:4:222120:225726,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1OC,MUYSZWMETNUEBJ-UHFFFAOYSA-N
-rxn:4:222120:225731,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(OC)c1,OURYLSORBRMXTE-UHFFFAOYSA-N
-rxn:4:222120:225735,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(Cl)c1OCC,YGFNSCPHULNHJI-UHFFFAOYSA-N
-rxn:4:222120:225745,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CC(C)C)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,GGPPHBCCCCUKQL-UHFFFAOYSA-N
-rxn:4:222120:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,MWXWCQWWQAQWHU-UHFFFAOYSA-N
-rxn:4:222120:225764,CCCOc1c(F)c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1F,JVBBAGXYJJFFRR-UHFFFAOYSA-N
-rxn:4:222120:225769,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCC7CC7)c(F)cc6F)cc5)no4)C3C2=O)cc1C,CKDRWRKWBMEXTP-UHFFFAOYSA-N
-rxn:4:222120:225775,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(OC)c1C,SSZVKZXMFVQXKY-UHFFFAOYSA-N
-rxn:4:222120:225798,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)nc6)cc5)no4)C3C2=O)cc1C,QWGGIYHPCTUXNF-UHFFFAOYSA-N
-rxn:4:222120:225805,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)s6)cc5)no4)C3C2=O)cc1C,VDWIWYYWLXPZHW-UHFFFAOYSA-N
-rxn:4:222120:225810,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C2OCCO2)c1,RMICTAQQMXECCM-UHFFFAOYSA-N
-rxn:4:222120:225811,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C(F)(F)F)CC7)cc6)cc5)no4)C3C2=O)cc1C,SIIAPYLHBNXYSE-UHFFFAOYSA-N
-rxn:4:222120:225815,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,DMYNPASQGNHEQZ-UHFFFAOYSA-N
-rxn:4:222120:225817,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(C7CC7)c6)cc5)no4)C3C2=O)cc1C,HVPCUCXCXIXMEB-UHFFFAOYSA-N
-rxn:4:222120:225821,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,NGAHZLYDZICUGC-UHFFFAOYSA-N
-rxn:4:222120:225827,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,BDROIOPVSHFLQA-UHFFFAOYSA-N
-rxn:4:222120:225829,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(C)CC7)nc6)cc5)no4)C3C2=O)cc1C,BGSUTSWCXNLFJM-UHFFFAOYSA-N
-rxn:4:222120:225873,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCOCC7=O)c6)cc5)no4)C3C2=O)cc1C,TYLYELBWVVDOKG-UHFFFAOYSA-N
-rxn:4:222120:225878,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,BWMQDUFHIBABPZ-UHFFFAOYSA-N
-rxn:4:222120:225879,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1C,PSGZUPSYYCEJLP-UHFFFAOYSA-N
-rxn:4:222120:225881,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1C,XCFCGVKHWUOHHG-UHFFFAOYSA-N
-rxn:4:222120:225907,CCCc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,MBROKQKVSJIXQL-UHFFFAOYSA-N
-rxn:4:222120:225909,CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,YWWLUSJVAILMSW-UHFFFAOYSA-N
-rxn:4:222120:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,ABLSBLHBZQIKTA-UHFFFAOYSA-N
-rxn:4:222120:225912,CCCOc1c(F)cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1F,HDVFBTXCMVZHTG-UHFFFAOYSA-N
-rxn:4:222120:225913,CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,PKTNNDFJNFKMMU-UHFFFAOYSA-N
-rxn:4:222120:225914,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,WKTIKOFGBGDSCK-UHFFFAOYSA-N
-rxn:4:222120:225916,COC(=O)c1cc(OC)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,VIDGABBZMFPLPQ-UHFFFAOYSA-N
-rxn:4:222120:225917,CCOC(=O)c1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)c1,WJAZOZYXAKQSNP-UHFFFAOYSA-N
-rxn:4:222120:225925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N(C)C)ccc6C)cc5)no4)C3C2=O)cc1C,RYQVWMFFMXAYLC-UHFFFAOYSA-N
-rxn:4:222120:225926,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC7)cc6)cc5)no4)C3C2=O)cc1C,HEINVHLFAGQRRW-UHFFFAOYSA-N
-rxn:4:222120:225928,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1C,UULARRPZVFURHT-UHFFFAOYSA-N
-rxn:4:222120:225929,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C)c(C)c6)cc5)no4)C3C2=O)cc1C,JAJKKIKZRXUOMB-UHFFFAOYSA-N
-rxn:4:222120:225931,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(S(=O)(=O)N(C)C)c1,VNZLIAIVTNWIGZ-UHFFFAOYSA-N
-rxn:4:222120:225935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)C)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,PQCJMVGLDXPDNE-UHFFFAOYSA-N
-rxn:4:222120:225941,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,FMUQSCFPAYMRPF-UHFFFAOYSA-N
-rxn:4:222120:225943,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)s6)cc5)no4)C3C2=O)cc1C,UXHDQEKKMQSLLH-UHFFFAOYSA-N
-rxn:4:222120:225975,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCOCC7)c6Cl)cc5)no4)C3C2=O)cc1C,AIOUIQCZKBKKHO-UHFFFAOYSA-N
-rxn:4:222120:225978,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1C,VSCJZMBKXOSUDX-UHFFFAOYSA-N
-rxn:4:222120:225982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1C,NOQQLWFQNMEITP-UHFFFAOYSA-N
-rxn:4:222120:225984,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(Cl)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,HCHBJKZYSXJZOR-UHFFFAOYSA-N
-rxn:4:222120:225986,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6N6CCCS6(=O)=O)cc5)no4)C3C2=O)cc1C,WHXQWERQTNKDLX-UHFFFAOYSA-N
-rxn:4:222120:225995,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1C,YXJZDOLWBFKQOB-UHFFFAOYSA-N
-rxn:4:222120:225998,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,WOTWUEILPFVTPE-UHFFFAOYSA-N
-rxn:4:222120:225999,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,BBWCDARCRSISMH-UHFFFAOYSA-N
-rxn:4:222120:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,ZAFGCXQJYBLLMN-UHFFFAOYSA-N
-rxn:4:222120:226008,COc1ccc(OC(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,IXVSEOICOHAWNR-UHFFFAOYSA-N
-rxn:4:222120:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,IXVOZWUEIYYYMW-UHFFFAOYSA-N
-rxn:4:222120:226011,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OCC(F)(F)F)cc5)no4)C3C2=O)cc1C,HXPJXCXJZQIPAO-UHFFFAOYSA-N
-rxn:4:222120:226012,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1C,TXSFQCZTYRJELH-UHFFFAOYSA-N
-rxn:4:222120:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,UPNNZRHXSXUULE-UHFFFAOYSA-N
-rxn:4:222120:226015,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(OC(F)(F)F)c1,PKNLKFMUGABMQW-UHFFFAOYSA-N
-rxn:4:222120:226022,COc1cccc(OC(F)(F)F)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,GKUQYVDAAWXRFR-UHFFFAOYSA-N
-rxn:4:222120:226024,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1C,VQWOZTGVIPDUCM-UHFFFAOYSA-N
-rxn:4:222120:226027,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1C,WJMINJNEOBCRQP-UHFFFAOYSA-N
-rxn:4:222120:226028,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(C#N)c6F)cc5)no4)C3C2=O)cc1C,SGUHPLZWKASGHB-UHFFFAOYSA-N
-rxn:4:222120:226029,CCOc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)c1F,NJAXFTLQFNUPFY-UHFFFAOYSA-N
-rxn:4:222120:226034,COc1c(Cl)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1C(F)(F)F,HMNUNFXZKBXSQP-UHFFFAOYSA-N
-rxn:4:222120:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,DPXZFDCRYFPBMD-UHFFFAOYSA-N
-rxn:4:222120:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,JASZAVJENHTHSA-UHFFFAOYSA-N
-rxn:4:222120:226040,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6C)cc5)no4)C3C2=O)cc1C,MEVJMUJIFPJXFA-UHFFFAOYSA-N
-rxn:4:222120:226041,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c([N+](=O)[O-])cccc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,ZOCVAGMSDFBACR-UHFFFAOYSA-N
-rxn:4:222120:226042,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc([N+](=O)[O-])cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,AIYLGURQYZNVSF-UHFFFAOYSA-N
-rxn:4:222120:226043,COc1c(F)cc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],ZIKXNRAURMEQNJ-UHFFFAOYSA-N
-rxn:4:222120:226046,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C(F)(F)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,JZBJXIFHRMEUQT-UHFFFAOYSA-N
-rxn:4:222120:226052,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ccc(OC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1C,QWZCCSBHFXHETE-UHFFFAOYSA-N
-rxn:4:222120:226053,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(OC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1C,NJGOOZTZCLZXCS-UHFFFAOYSA-N
-rxn:4:222120:226426,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)s6)cc5)no4)C3C2=O)cc1C,JCOOHEOBHJQJBK-UHFFFAOYSA-N
-rxn:4:222120:226470,CCOC(=O)CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cs1,CKZVTTSONRFARP-UHFFFAOYSA-N
-rxn:4:222120:226499,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccn6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1C,SXIVVGRJNZFFLP-UHFFFAOYSA-N
-rxn:4:222120:226583,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)s6)cc5)no4)C3C2=O)cc1C,ATXBGOWPJRQFTQ-UHFFFAOYSA-N
-rxn:4:222120:226662,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)s6)cc5)no4)C3C2=O)cc1C,VYHITVRXPSZKSI-UHFFFAOYSA-N
-rxn:4:222120:226836,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,CORWDBPOFPVOPN-UHFFFAOYSA-N
-rxn:4:222120:226896,COCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,OXJLMKFBDRJFTQ-UHFFFAOYSA-N
-rxn:4:222120:226898,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(S(=O)(=O)N(C)C)nc6C)cc5)no4)C3C2=O)cc1C,PUYZUYJHXTVHMY-UHFFFAOYSA-N
-rxn:4:222123:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)cc1,WMLGPEBVDMQBIK-UHFFFAOYSA-N
-rxn:4:222131:223753,Cc1ccc(-c2ccc(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cc1OCCCN1CCN(C)CC1,MZIYWEYMIKCKPY-UHFFFAOYSA-N
-rxn:4:222144:222424,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1,JSAISRVCYUOLFV-UHFFFAOYSA-N
-rxn:4:222153:222540,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)n1,LADHJWABKXWJMR-UHFFFAOYSA-N
-rxn:4:222161:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)c2)CC1,POECTMAMSABIHV-UHFFFAOYSA-N
-rxn:4:222165:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ccc(C(C)(C)C)nn5)CC4)nc3)c2)CC1,LQVJGOMDFUBOON-UHFFFAOYSA-N
-rxn:4:222165:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCN(c4ccc(C(C)(C)C)nn4)CC3)nc2)c1,HQHSRIVICUOVAE-UHFFFAOYSA-N
-rxn:4:222168:222853,OC1CCN(Cc2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2)CC1,MYXDBXADYDXRGZ-UHFFFAOYSA-N
-rxn:4:222184:222511,Cn1nc2cc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,LOGSNXOEPOEHQB-UHFFFAOYSA-N
-rxn:4:222204:222540,Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)n(C)c1=O,OHOCEXQISAIRII-UHFFFAOYSA-N
-rxn:4:222288:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c2)c1,KNYVAYFSVZJQGP-UHFFFAOYSA-N
-rxn:4:222331:224612,c1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)n1,KIYSSYDTMOKNNC-UHFFFAOYSA-N
-rxn:4:222332:224356,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc2sc(Cl)cc21,OKGVBBKRCOMNHK-UHFFFAOYSA-N
-rxn:4:222333:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)c1,FIYIJYBZAMLRMY-UHFFFAOYSA-N
-rxn:4:222338:224398,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cn3)CC2)n1,ZBERUYKNDQSNAS-UHFFFAOYSA-N
-rxn:4:222380:222632,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)NCCN7CCCC7)c6)cn5)CC4C3)ncnc21,KCYKRJZVDDHHHG-UHFFFAOYSA-N
-rxn:4:222389:215879,CN(C)C1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,DFZRJDBFWZZKBW-UHFFFAOYSA-N
-rxn:4:222522:207764,CCN1CC=C(c2c[nH]c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCC(O)CC5)c4)cc23)CC1,BUDPLGLGYBHNOQ-UHFFFAOYSA-N
-rxn:4:222543:174515,CC(C)[Si](Oc1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1)(C(C)C)C(C)C,HMRMALGQDPSSLA-UHFFFAOYSA-N
-rxn:4:222581:185264,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)cc2)c2ccccc12,WLAYYCOYJZAODR-UHFFFAOYSA-N
-rxn:4:222581:187572,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc12,XRDXULCXFBBPII-UHFFFAOYSA-N
-rxn:4:222600:187438,Cc1cc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,YFJZHPRDSWVUSJ-UHFFFAOYSA-N
-rxn:4:222601:183928,CC(c1ccc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)cc1)N(C(=O)OC(C)(C)C)C1CC1,NAQHOUZLSBGZFX-UHFFFAOYSA-N
-rxn:4:222602:194834,Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,LORNRRWFNOOUHZ-UHFFFAOYSA-N
-rxn:4:222622:215262,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)cc(C2CCCNC2)n1,VOUHAVMRPPFQBQ-UHFFFAOYSA-N
-rxn:4:222680:204513,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnc2c(c1)CCN2C(=O)OC(C)(C)C,BOCFFVAHZOEJPW-UHFFFAOYSA-N
-rxn:4:222711:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1,RMGYPGZWZHMKMA-UHFFFAOYSA-N
-rxn:4:222742:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)C2)cc1,KYLLOZRNBDCKPB-UHFFFAOYSA-N
-rxn:4:222910:178588,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)c(C)c1,TZSCDCVRMLKQLG-UHFFFAOYSA-N
-rxn:4:222910:199893,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)c(C)c1,XKUJMNRMWBCPQK-UHFFFAOYSA-N
-rxn:4:222950:199550,CONS(=O)(=O)c1cc(-c2cnc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)ccc1OC,GPVCSRIZKJWAOS-UHFFFAOYSA-N
-rxn:4:223031:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NCC)cc1OC,WJWSZEOFHJEDNO-UHFFFAOYSA-N
-rxn:4:223061:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C2CCNCC2)ncc1F,GVGLXASKFLVOMN-UHFFFAOYSA-N
-rxn:4:223080:185355,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VFSLFCUZCQTCBG-UHFFFAOYSA-N
-rxn:4:223481:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,WRGKPKZAUOPYCC-UHFFFAOYSA-N
-rxn:4:223520:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,PQWVOFCLWKJLDU-UHFFFAOYSA-N
-rxn:4:223530:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,WOQKLOIVADBRBN-UHFFFAOYSA-N
-rxn:4:223540:195716,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(N)(=O)=O)c(F)cc1F,HSCIKXYCKOTBBN-UHFFFAOYSA-N
-rxn:4:223570:204681,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CC4(C)C)c(F)ncc21,WRJWVLSPFHRPIQ-UHFFFAOYSA-N
-rxn:4:223580:175416,C#Cc1cc(-c2cc3cc(C(=O)OC)ccc3n2C(=O)OC(C)(C)C)ccc1C(=O)OC(C)(C)C,MZEFNOIVVTURPP-UHFFFAOYSA-N
-rxn:4:223830:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(CC)CC2)c1,NWGYNGNVBOXRQY-UHFFFAOYSA-N
-rxn:4:223830:219268,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(n4nccn4)C3)ccc2C)CC1,IIOSXKLUGHIGNK-UHFFFAOYSA-N
-rxn:5:177180:223065:225639,CCOC(=O)c1c(C)cc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cccnc1N1CCC(C)CC1,KEGUPQSKPQDEKK-UHFFFAOYSA-N
-rxn:5:177184:222987:223062,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1C,YLFLZSRFNLVJGU-UHFFFAOYSA-N
-rxn:5:177185:222996:226330,CC(C)OC(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1-c1ccc(C(C)N2CCCC2)s1,HDLPXWQEHZHJLY-UHFFFAOYSA-N
-rxn:5:177185:225602:222405,CC(C)OC(=O)c1cc(-c2cc(C3(C#N)CCC3)ccc2F)ccc1-c1cccc(C2NC(=O)NC2=O)c1,ZFRLILYFGHQMKD-UHFFFAOYSA-N
-rxn:5:177187:222987:223065,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2C)c1-c1ccc(N2CCNCC2)cc1F,CMCBNPUHKNMWJU-UHFFFAOYSA-N
-rxn:5:177190:225464:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCC(C)C3)c2)c1,AAPBGIHPYUDGKD-UHFFFAOYSA-N
-rxn:5:177190:225472:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCCC3C)c2)c1,BHALVDQPZLKVHQ-UHFFFAOYSA-N
-rxn:5:177190:225472:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3C)c2)c1,RAETWEOHKFQEIU-UHFFFAOYSA-N
-rxn:5:177190:225577:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC3)cc2C#N)c1,UUTHIXHYMIVKAP-UHFFFAOYSA-N
-rxn:5:177190:225577:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCC3)cc2C#N)c1,ZJFVSMVFSZOWSA-UHFFFAOYSA-N
-rxn:5:177190:225607:223146,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CNCCO3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,IQCSOVLWFJZHDL-UHFFFAOYSA-N
-rxn:5:177190:225633:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,IUGQHUZIDKLKGQ-UHFFFAOYSA-N
-rxn:5:177190:225633:225466,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,OPKQTVGVFNSNGE-UHFFFAOYSA-N
-rxn:5:177190:225633:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,JVBCLOUUPFQXOI-UHFFFAOYSA-N
-rxn:5:177190:225636:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,XCIZNFBWSQLLGT-UHFFFAOYSA-N
-rxn:5:177190:225639:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cccnc2N2CCC(C)CC2)c1,JPDNWKWHLVFBOY-UHFFFAOYSA-N
-rxn:5:177190:225655:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,LFVQHHMMYJJPIR-UHFFFAOYSA-N
-rxn:5:177190:225655:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,SRKPUFGKYWQFJK-UHFFFAOYSA-N
-rxn:5:177190:225805:223144,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,VPSGCNDVVQSPFQ-UHFFFAOYSA-N
-rxn:5:177191:223065:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(N5CCNCC5)cc4F)c3)c2)CCC1,FREMJCBHBMBZKB-UHFFFAOYSA-N
-rxn:5:177373:225805:225985,CC(c1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2OCC2OCCO2)s1)N1CCOCC1,BFEVRJBYVTWASF-UHFFFAOYSA-N
-rxn:5:177445:225661:223058,CC(C)=CCOc1ccc(-c2ccc(N3CCOCC3)cc2C)cc1-c1cc(F)nc(C2CCCNC2)c1,ZSUDYJVWNYPPJF-UHFFFAOYSA-N
-rxn:5:177449:225674:225934,COc1cc(-c2cnc(C3CCCCC3)cc2F)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OC(C)C,JKJGDFBARQSYDB-UHFFFAOYSA-N
-rxn:5:177729:226068:225871,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)OC(C)(C)C)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,FPAYMUFVFRTQSN-UHFFFAOYSA-N
-rxn:5:177730:223240:223054,CC(c1ccc(-c2ccc(-c3ccc(C4CCNC4)nc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,BNFMPRDHPBEHTH-UHFFFAOYSA-N
-rxn:5:177731:223062:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cnc(C4CCNCC4)cc3F)c2)s1)N1CCCC1,MTYNOUMWAXMKTL-UHFFFAOYSA-N
-rxn:5:177731:225438:223138,CC(c1ccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,UAEGGAOSESHPMB-UHFFFAOYSA-N
-rxn:5:177731:225439:223007,CC(c1cccc(-c2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,XFVDLQWVYHKWHS-UHFFFAOYSA-N
-rxn:5:177732:223133:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccccc2N2CCNCC2)s1)N1CCC(O)C1,FEGPFKCEIOQUJU-UHFFFAOYSA-N
-rxn:5:177732:226649:225438,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)cc1)N1CCCC1,JZFIZLWDCCJNRM-UHFFFAOYSA-N
-rxn:5:177733:225465:223294,CN1CCC(c2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4csc(N5CCNCC5)n4)c3)c2)CC1,BDBNJIKSMVSHHX-UHFFFAOYSA-N
-rxn:5:177733:226061:225515,CC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc4c3OCC(C)(C)CO4)c2)cc(C2CC2)c1,WHLXRZVADQCXAT-UHFFFAOYSA-N
-rxn:5:177735:223294:225982,Cc1cc(C(=O)OC(C)C)cc(-c2csc(N3CCNCC3)n2)c1-c1cnc(N2CCOCC2)cc1F,JBKUBDWOCZYMIF-UHFFFAOYSA-N
-rxn:5:177736:225982:223062,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,DZTRQJNVVSQFCK-UHFFFAOYSA-N
-rxn:5:177737:223018:226140,COc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(=O)OC(C)(C)C)c1,LIVAEJFSGLYFMW-UHFFFAOYSA-N
-rxn:5:177737:223065:226330,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)c2)s1)N1CCCC1,XZQSLCGZGCZERT-UHFFFAOYSA-N
-rxn:5:177737:223065:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,NRQQJSGVIOEZKF-UHFFFAOYSA-N
-rxn:5:177739:225833:226663,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccc(N2CCSCC2)nc1,YPDDTXDNLXVWOQ-UHFFFAOYSA-N
-rxn:5:177739:226794:223064,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccc(C2CCNCC2)nc1F,PMZIZCQDOKWJQQ-UHFFFAOYSA-N
-rxn:5:177850:227710:226661,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1cc(N2CCN(C)CC2)cs1,DFOSMFXIONFJJL-UHFFFAOYSA-N
-rxn:5:177851:227710:222956,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(C)cc1C1CCCNC1,RSXYRWFLKXHVRM-UHFFFAOYSA-N
-rxn:5:177891:223135:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cccnc1C1CCCNC1,VVMZSNWDVXQDBA-UHFFFAOYSA-N
-rxn:5:177891:223146:226426,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(C4CNCCO4)c3)s2)CC1,CINCCKHQNCDTSA-UHFFFAOYSA-N
-rxn:5:177891:223186:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnn(C2CCCCO2)c1,RPJPMWNWDHLWBJ-UHFFFAOYSA-N
-rxn:5:177891:225514:229167,CN(C)c1nc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc3c2OCC2(CC2)CO3)cs1,PTCOXCGTKIRRFD-UHFFFAOYSA-N
-rxn:5:177891:225607:223146,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(C3CNCCO3)c2)s1)N1CCCCC1,NWVBTTVFDAWMHS-UHFFFAOYSA-N
-rxn:5:177891:225784:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,HGTTWPNJOKOZBS-UHFFFAOYSA-N
-rxn:5:177891:225803:229013,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CC1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,FIFRBBVVJXBSJI-UHFFFAOYSA-N
-rxn:5:177891:226364:223285,CS(=O)(=O)Nc1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(N2CCCCC2)nc1,MBUFXGMRSYOXJO-UHFFFAOYSA-N
-rxn:5:177891:226447:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCOCC2)c1,CCHSPPBYBWBDAL-UHFFFAOYSA-N
-rxn:5:177891:226583:222960,Cc1cc(C2CCNCC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(CN3CCOCC3)s2)c1,LZKGFVPDFVPJIN-UHFFFAOYSA-N
-rxn:5:177891:226583:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,OFTHNADDOGSMPP-UHFFFAOYSA-N
-rxn:5:177891:226643:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VANUSFCMZSVUGU-UHFFFAOYSA-N
-rxn:5:177891:226649:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1cccnc1N1CCOCC1,INOYYLMCOXQAQY-UHFFFAOYSA-N
-rxn:5:177891:226665:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnc(C2CCCOC2)nc1,KRKAEJZFNSCENE-UHFFFAOYSA-N
-rxn:5:177891:226729:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnc(OC2CCOC2)nc1,XUIVWNMSRCHNCX-UHFFFAOYSA-N
-rxn:5:177891:227438:227119,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCCC2)cs1)c1ccccc1-c1ccnc(C2CCOC2)c1,BHEPJCPHANTNRD-UHFFFAOYSA-N
-rxn:5:177891:227438:228211,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCC2)cs1)c1ccccc1-c1ccnc(C2CCOC2)c1,SLXCTXWZHUYMIR-UHFFFAOYSA-N
-rxn:5:177891:227449:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)ccc1C1COC1,PDAIHSQMUDAPEA-UHFFFAOYSA-N
-rxn:5:177891:227517:227403,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCCCC2)s1)c1ccccc1-c1ccc(OC2COC2)nc1,UJGVVVANXNESIS-UHFFFAOYSA-N
-rxn:5:177891:227654:223131,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCNCC2)cc1)c1ccccc1-c1ccc(C2OCCO2)nc1,ZSPDKFZBXABOPD-UHFFFAOYSA-N
-rxn:5:177891:227657:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,PGGBBUUBMFHVGV-UHFFFAOYSA-N
-rxn:5:177891:227657:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)s2)s1)N1CCCC1,ZBLXKCDGEUKWGL-UHFFFAOYSA-N
-rxn:5:177891:228623:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1sccc1C1CCC1,KCUAPISHWURGFM-UHFFFAOYSA-N
-rxn:5:178118:227507:222988,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)n1,OZAFMDACUMMYNI-UHFFFAOYSA-N
-rxn:5:178118:227710:222958,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc1C1CCNCC1,DCZFFYOQBVJKTK-UHFFFAOYSA-N
-rxn:5:178118:227803:225803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1OCC1CCCCO1,YXPPPNJOTGTNOT-UHFFFAOYSA-N
-rxn:5:178119:222959:223281,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc(C3(O)COC3)nc2)ccc1C1CCNCC1,ZVIKGMFQFPIBRP-UHFFFAOYSA-N
-rxn:5:178119:223183:226059,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc(C(C)C)cc2C(C)C)c(C)c1,ZLVALWOLQGYXOC-UHFFFAOYSA-N
-rxn:5:178119:225636:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCC(C)CC3)c2)c1-c1ccc(C2(O)COC2)nc1,OORORYBMXZMGAN-UHFFFAOYSA-N
-rxn:5:178120:226583:223295,CS(=O)(=O)Nc1cncc(-c2c(OCC3CCOCC3)cccc2-c2ccc(CN3CCOCC3)s2)c1,KMPPBMVVVAWJHR-UHFFFAOYSA-N
-rxn:5:178121:226898:227205,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(OCC2CCOCC2)cccc1-c1cccc2c1OCCCO2,UWODSQLTZWTPGK-UHFFFAOYSA-N
-rxn:5:178224:223006:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2)c([N+](=O)[O-])s1,AZTJIGMGAQCMOH-UHFFFAOYSA-N
-rxn:5:178224:225499:227361,COc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCCCC4)cc3F)c2)c(OC)cc1C,NWWZRROKVFZFOF-UHFFFAOYSA-N
-rxn:5:178225:225394:227592,COc1cc(F)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,FTZDYEKDOBRURQ-UHFFFAOYSA-N
-rxn:5:178295:222405:223112,COC(=O)C1(c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,BOODAOBICNKQGG-UHFFFAOYSA-N
-rxn:5:178295:223215:227810,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)NC(=O)CC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,TTYFMHKSVARQKQ-UHFFFAOYSA-N
-rxn:5:178295:223229:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,ZYHSKYCMWYSRPT-UHFFFAOYSA-N
-rxn:5:178295:223230:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,LAYXNVXDJCPDEN-UHFFFAOYSA-N
-rxn:5:178295:223266:227831,CCc1c(C)cc(-c2ccc(-c3cc(F)ccc3C(=O)NC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,VPLGIAQYFKLMRX-UHFFFAOYSA-N
-rxn:5:178295:223271:223359,CNCc1ccc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,TUZCLLCVONQIOZ-UHFFFAOYSA-N
-rxn:5:178295:223285:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,RGVOTEFUWFZZPF-UHFFFAOYSA-N
-rxn:5:178295:223287:227811,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,GFBDEQUGZDHDNH-UHFFFAOYSA-N
-rxn:5:178295:225886:227338,COC(=O)C1(c2cc(-c3cc(OC(C)C)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,HMABTBVPPPYTNO-UHFFFAOYSA-N
-rxn:5:178295:226058:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,AIIHWZJNFNUBPT-UHFFFAOYSA-N
-rxn:5:178295:226058:227402,COC(=O)C1(c2cc(-c3cc(F)nc(C(C)(C)C)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,UFKSWOKGKRADGH-UHFFFAOYSA-N
-rxn:5:178295:226059:227185,COC(=O)C1(c2cc(-c3ccc4c(c3)N(C)CCO4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,XNLWOJYINNSFPP-UHFFFAOYSA-N
-rxn:5:178295:226061:223398,CNCc1ccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KDEPQIRUMNGSPL-UHFFFAOYSA-N
-rxn:5:178295:226068:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,DOWAAUMZHUHEPH-UHFFFAOYSA-N
-rxn:5:178295:226085:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,DJIZWNAYAXMBOM-UHFFFAOYSA-N
-rxn:5:178295:226132:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3(C#N)CC3)cc2C)CCC(=O)CC1,LAYNMHAOFNOQAL-UHFFFAOYSA-N
-rxn:5:178295:226188:228519,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3C)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CCC(=O)CC1,BFTLWMHXVCGPMM-UHFFFAOYSA-N
-rxn:5:178295:226341:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,QREWWGPKWCPXKZ-UHFFFAOYSA-N
-rxn:5:178295:226461:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,LHVQGJURPVVYHT-UHFFFAOYSA-N
-rxn:5:178295:226579:228766,CCc1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,USUPYHCONREHHZ-UHFFFAOYSA-N
-rxn:5:178295:226582:228687,CCSc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,HEWOCFZSFKPXNC-UHFFFAOYSA-N
-rxn:5:178295:226782:228146,CCc1cncc(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,XUJSKTZVIXLNFG-UHFFFAOYSA-N
-rxn:5:178295:226907:227346,CCCc1cc(F)c(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MJDNQCYZZAQWAA-UHFFFAOYSA-N
-rxn:5:178295:226912:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C)cc(CC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,OZWIZQKYXHEUTH-UHFFFAOYSA-N
-rxn:5:178295:226913:227079,CCc1cc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,XEQUVGHNHLEZLR-UHFFFAOYSA-N
-rxn:5:178295:226913:227807,CCc1cc(-c2ccc(-c3cccc4c3CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,RHJDAXYEWPGXMA-UHFFFAOYSA-N
-rxn:5:178295:226914:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,LLQBFBBTRCWQHY-UHFFFAOYSA-N
-rxn:5:178295:226914:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,KHGVRPUEPJPNIZ-UHFFFAOYSA-N
-rxn:5:178295:226914:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,FFVRYMJUAAOKBO-UHFFFAOYSA-N
-rxn:5:178295:226916:227831,CCc1c(C)cc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,PWEHGDSQDUYTFP-UHFFFAOYSA-N
-rxn:5:178295:226917:227313,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,PHQLQFGZQZDQCP-UHFFFAOYSA-N
-rxn:5:178295:226920:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(C)(C)C)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QMVWCJALGZJKHL-UHFFFAOYSA-N
-rxn:5:178295:226921:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cc(C3CC3)c(C)cc2C)CCC(=O)CC1,UARPJANQMFSVHA-UHFFFAOYSA-N
-rxn:5:178295:226922:227077,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(C4CC4)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,NYTFXLDTFDMCHS-UHFFFAOYSA-N
-rxn:5:178295:226946:227818,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)CCN(C)C4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AVUZHKHKXYFIGQ-UHFFFAOYSA-N
-rxn:5:178295:226968:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,UPTZHOSYQVKOIT-UHFFFAOYSA-N
-rxn:5:178295:226968:227863,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCO4)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,QGKAMHHFELBWOJ-UHFFFAOYSA-N
-rxn:5:178295:226969:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,WHVDTNGCVXSBJP-UHFFFAOYSA-N
-rxn:5:178295:226969:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,VUIOGKBTDHBMGD-UHFFFAOYSA-N
-rxn:5:178295:227038:225451,COC(=O)C1(c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,LMSWWLKDNHTRLC-UHFFFAOYSA-N
-rxn:5:178295:227038:228393,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3OC)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,SYCDZYPLQLPGHO-UHFFFAOYSA-N
-rxn:5:178295:227046:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C)cc(OC(C)C)c2)CCC(=O)CC1,AEWPBWWTFUISLO-UHFFFAOYSA-N
-rxn:5:178295:227046:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)cc(OC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VSAUIUKQNCKXSN-UHFFFAOYSA-N
-rxn:5:178295:227048:228610,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)s3)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,LPAUYLQEBQXYEN-UHFFFAOYSA-N
-rxn:5:178295:227052:227508,COC(=O)c1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,QGNQALIIEXCUAM-UHFFFAOYSA-N
-rxn:5:178295:227052:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,PYRKEIUIIPDVFH-UHFFFAOYSA-N
-rxn:5:178295:227053:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2cccc(OC(C)(C)C)c2)CCC(=O)CC1,DHXHBIBVJNCIOG-UHFFFAOYSA-N
-rxn:5:178295:227058:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2cc(C3CC3)ccc2OC)CCC(=O)CC1,WMJGAOSRZDBQBM-UHFFFAOYSA-N
-rxn:5:178295:227059:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(OC)c(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,XHVACEPLJRPHQT-UHFFFAOYSA-N
-rxn:5:178295:227065:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,LWZGJAPDKNDIEC-UHFFFAOYSA-N
-rxn:5:178295:227065:227933,CCc1ccc(OC)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WEZZHAPBMNQQLT-UHFFFAOYSA-N
-rxn:5:178295:227069:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,CYMUWRBDXWJXOC-UHFFFAOYSA-N
-rxn:5:178295:227069:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,MUNLOFLEMCYIAB-UHFFFAOYSA-N
-rxn:5:178295:227075:228388,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,SCAGFZMXGLBDAA-UHFFFAOYSA-N
-rxn:5:178295:227076:228320,CCC(C)c1ccc(F)c(-c2ccc(-c3ccnc(C(=O)OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JIPIQHKRRZULRM-UHFFFAOYSA-N
-rxn:5:178295:227076:228346,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OTKUVTHESBWLCK-UHFFFAOYSA-N
-rxn:5:178295:227124:228713,COC(=O)C1(c2cc(-c3ccn(C(C)(C)C)n3)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,SCBKAYLEBLEVAH-UHFFFAOYSA-N
-rxn:5:178295:227206:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,VPPKUXJUKVJKLI-UHFFFAOYSA-N
-rxn:5:178295:227286:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,ZULBWVJJRRDMMP-UHFFFAOYSA-N
-rxn:5:178295:227288:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,LMJBPMQLJHCCNR-UHFFFAOYSA-N
-rxn:5:178295:227309:223230,CCC(C)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,UFSSFKAZXYZLBO-UHFFFAOYSA-N
-rxn:5:178295:227311:227964,CCC(C)c1cc(F)c(-c2ccc(-c3cncc(C4(C)CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,FZZAVSMEBMUZSD-UHFFFAOYSA-N
-rxn:5:178295:227312:227831,CCc1c(C)cc(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,OJKVITFWPWZBOP-UHFFFAOYSA-N
-rxn:5:178295:227319:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cc(CC(C)C)ncc2F)CCC(=O)CC1,CVYOYWZPQWEVLU-UHFFFAOYSA-N
-rxn:5:178295:227322:227077,CCC(C)c1ccc(-c2ccc(-c3cncc(C(C)C)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MAAWJPVUPCCYQR-UHFFFAOYSA-N
-rxn:5:178295:227329:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,BPSINCAZBKPEBL-UHFFFAOYSA-N
-rxn:5:178295:227336:227309,CCC(C)c1cc(-c2ccc(-c3ccc(F)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,BBVYWKUBKRTRRQ-UHFFFAOYSA-N
-rxn:5:178295:227345:228144,CCCc1ccc(-c2ccc(-c3ccc(OC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,WMMCUHRZOJPZRL-UHFFFAOYSA-N
-rxn:5:178295:227346:227290,CCCc1cc(F)c(-c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NESQOMYWVGLOEC-UHFFFAOYSA-N
-rxn:5:178295:227346:228318,CCCc1cc(F)c(-c2ccc(-c3cnccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,ORJYGWMSAQRLGI-UHFFFAOYSA-N
-rxn:5:178295:227346:228400,CCCc1cc(F)c(-c2ccc(-c3ccc(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,AUSGNISQELBNES-UHFFFAOYSA-N
-rxn:5:178295:227363:227910,CCC(C)c1ccc(-c2ccc(-c3cccc(F)c3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FNPFQSIQIMSJCC-UHFFFAOYSA-N
-rxn:5:178295:227369:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2cc(F)ccc2OC2CC2)CCC(=O)CC1,WMQCTFUPTBFNOA-UHFFFAOYSA-N
-rxn:5:178295:227520:227810,CCC(C)c1ccc(-c2ccc(-c3cnc(OC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,YPQXQGZZUBSFOJ-UHFFFAOYSA-N
-rxn:5:178295:227522:228180,COCc1cc(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,HGQUQECKMKVWID-UHFFFAOYSA-N
-rxn:5:178295:227540:228255,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,HSLRKKPZPZXNSG-UHFFFAOYSA-N
-rxn:5:178295:227540:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,QQCIVQMKHHKZHO-UHFFFAOYSA-N
-rxn:5:178295:227554:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cccc(F)c2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,XXNORJYZORGDKQ-UHFFFAOYSA-N
-rxn:5:178295:227568:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,VIIDCHNXDXXXMM-UHFFFAOYSA-N
-rxn:5:178295:227704:228119,COC(=O)C1(c2cc(-c3ccc(SC(C)C)nc3)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,SMKXHFMFOAAMMQ-UHFFFAOYSA-N
-rxn:5:178295:227807:227704,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3OC)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,AYWVPSVLUBUADT-UHFFFAOYSA-N
-rxn:5:178295:227808:227309,CCC(C)c1cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,FVWNNUYMCWUVMY-UHFFFAOYSA-N
-rxn:5:178295:227811:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,OAZSEZSLAQKSEJ-UHFFFAOYSA-N
-rxn:5:178295:227812:223231,CNC(=O)c1ccc(-c2ccc(-c3cccc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,JLOPUTXWFAFRDG-UHFFFAOYSA-N
-rxn:5:178295:227815:227702,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)cnc2F)cc1C1(C(=O)OC)CCC(=O)CC1,YJIOKOOJLDFNHY-UHFFFAOYSA-N
-rxn:5:178295:227817:227307,COC(=O)C1(c2cc(-c3ccc(C)nc3OC(C)C)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,FGQHKGXUGQAJJI-UHFFFAOYSA-N
-rxn:5:178295:227817:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,BEGVDHGDWOYPFM-UHFFFAOYSA-N
-rxn:5:178295:227818:226154,CCC(C)c1cccc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JHWYSQYWAOBYKB-UHFFFAOYSA-N
-rxn:5:178295:227818:227326,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)OC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VYNMXBGADAAFTE-UHFFFAOYSA-N
-rxn:5:178295:227818:227569,CCC(C)c1cccc(-c2ccc(-c3c(OC)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KWSHCPSMOZEMSO-UHFFFAOYSA-N
-rxn:5:178295:227820:226946,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN(C)C4)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,PPZADGSLSWTRNV-UHFFFAOYSA-N
-rxn:5:178295:227820:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,JMMOFWXNJQRMNU-UHFFFAOYSA-N
-rxn:5:178295:227821:226334,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,UNDFGTOLPRBXQX-UHFFFAOYSA-N
-rxn:5:178295:227822:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2c(C)cccc2C(C)C)CCC(=O)CC1,CCTXVBOHGCVNJU-UHFFFAOYSA-N
-rxn:5:178295:227826:227051,CCC(=O)c1ccc(-c2ccc(-c3cccc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,SVVNLRVDLYIHEA-UHFFFAOYSA-N
-rxn:5:178295:227831:227412,CCc1c(C)cc(-c2ccc(-c3cnc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,CGJYRCVOGUUTGY-UHFFFAOYSA-N
-rxn:5:178295:227836:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(C)cc2C2CC2)CCC(=O)CC1,BPXDJTPAZQYGRL-UHFFFAOYSA-N
-rxn:5:178295:228003:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,QLEOORRTIMGYPU-UHFFFAOYSA-N
-rxn:5:178295:228079:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,CELJOQUCCPBNBT-UHFFFAOYSA-N
-rxn:5:178295:228141:226582,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XWHCVONBDQHNKO-UHFFFAOYSA-N
-rxn:5:178295:228141:227050,CCCc1cc(F)c(-c2ccc(-c3ccc(OC(C)C)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XADHHBBRVCDMCX-UHFFFAOYSA-N
-rxn:5:178295:228142:227561,CCCc1cc(-c2ccc(-c3cc(OC)c(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,DISOOQXQXSUKIU-UHFFFAOYSA-N
-rxn:5:178295:228150:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VUHIBLFLJFLNGQ-UHFFFAOYSA-N
-rxn:5:178295:228170:227051,CCOc1ccc(F)cc1-c1ccc(-c2ccc(C(=O)CC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,PNGJPOFOMZHZRG-UHFFFAOYSA-N
-rxn:5:178295:228179:226971,COCc1cc(F)cc(-c2ccc(-c3ccc4c(c3)CCCOC4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BSCTZYQYDHONTM-UHFFFAOYSA-N
-rxn:5:178295:228181:226068,COCc1cc(F)ccc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,XZQNEDLNWBVSRA-UHFFFAOYSA-N
-rxn:5:178295:228219:227312,CCC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XAXYQMNARVFGSV-UHFFFAOYSA-N
-rxn:5:178295:228241:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(F)c(C(C)=O)c2)CCC(=O)CC1,CRIYCDUFFKPKRV-UHFFFAOYSA-N
-rxn:5:178295:228242:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(C)c(F)cc2OC)CCC(=O)CC1,HLWINAIHBRCWGN-UHFFFAOYSA-N
-rxn:5:178295:228258:226946,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN(C)C4)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,LDHNZNNHKJRIJF-UHFFFAOYSA-N
-rxn:5:178295:228268:223229,COC(=O)C1(c2cc(-c3cc(NC(C)=O)ccc3C)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,YLFNODZBUNYFPL-UHFFFAOYSA-N
-rxn:5:178295:228277:227313,CCC(C)c1cc(-c2ccc(-c3c(OC)ccc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,WXIJEOFEPWUPHO-UHFFFAOYSA-N
-rxn:5:178295:228278:227077,CCC(C)c1ccc(-c2ccc(-c3cc(F)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XSPUSJOAIWKGRB-UHFFFAOYSA-N
-rxn:5:178295:228306:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2cnc(SC(C)C)nc2)CCC(=O)CC1,GPUOVIJRAVINEP-UHFFFAOYSA-N
-rxn:5:178295:228396:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2c(F)cc(OC)cc2F)CCC(=O)CC1,HEEGNJBFRUCPBI-UHFFFAOYSA-N
-rxn:5:178295:228435:227071,COCc1cc(C)c(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,SXTGTABOKQDSRP-UHFFFAOYSA-N
-rxn:5:178295:228506:226058,CCCc1ccccc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,PCRCPFLKLBNEEO-UHFFFAOYSA-N
-rxn:5:178295:228560:226062,CCSc1ccccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,AMXYRMOCLDKRIO-UHFFFAOYSA-N
-rxn:5:178295:228560:226154,CCSc1ccccc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FGSBIPCUFFFHDG-UHFFFAOYSA-N
-rxn:5:178295:228562:225451,CCC(C)c1csc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WANCDKWHEFZMBY-UHFFFAOYSA-N
-rxn:5:178295:228567:227039,CCC(C)c1sccc1-c1ccc(-c2ccc(OC(C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,SKFVJKSNKFNURD-UHFFFAOYSA-N
-rxn:5:178295:228567:227124,CCC(C)c1sccc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,JAZMXYXEBTYVCS-UHFFFAOYSA-N
-rxn:5:178295:228617:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2c(C)cccc2OC)CCC(=O)CC1,KJIZUBPGPFIGID-UHFFFAOYSA-N
-rxn:5:178295:228756:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccc(SC)nc2C)CCC(=O)CC1,YCBFPFJIIYJFEN-UHFFFAOYSA-N
-rxn:5:178295:228772:226580,CCc1c(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccnc1F,OBLOHJQYFBDOSC-UHFFFAOYSA-N
-rxn:5:178295:228790:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cccc(C(F)F)c2)CCC(=O)CC1,TZGMUQCXXDHTOB-UHFFFAOYSA-N
-rxn:5:178295:228918:226350,COC(=O)c1c(C)ccc(-c2ccc(-c3cnccc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1C,FVNUHVVMVRJSOS-UHFFFAOYSA-N
-rxn:5:178313:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccnc(C2CCOCC2)c1,FRCROWXDVGCROK-UHFFFAOYSA-N
-rxn:5:178314:223062:223062,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cnc(C2CCNCC2)cc1F,QGFKXLAVLASXHZ-UHFFFAOYSA-N
-rxn:5:178353:226172:225656,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(N4CCCC4)ccc3C)cc2C)ccc1-c1cncc(N2CCCCC2C)c1,WWMDKNHNZKQBNB-UHFFFAOYSA-N
-rxn:5:178466:225978:225982,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,VAWYQGGRTBTOJR-UHFFFAOYSA-N
-rxn:5:178467:222980:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,WSQBETGSYVCELK-UHFFFAOYSA-N
-rxn:5:178467:222985:227507,CCOC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,MCXQMDJEQFWBOX-UHFFFAOYSA-N
-rxn:5:178467:223018:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2OC1,RNFGCUXFRZAAAX-UHFFFAOYSA-N
-rxn:5:178467:223141:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,OYUJGRGRNMFELE-UHFFFAOYSA-N
-rxn:5:178467:223141:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,FDCGHYSWUUTSJN-UHFFFAOYSA-N
-rxn:5:178467:223241:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(C4CCNC4)c3)c2OC1,JWDBDKNKUQTFTR-UHFFFAOYSA-N
-rxn:5:178467:225498:228393,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(F)c3OC)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,WYDXVXKDTARDMG-UHFFFAOYSA-N
-rxn:5:178467:225631:228062,CCOC(=O)C1=Cc2cc(-c3cncc4c3CCCO4)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,HVOFFIGBQJZJSI-UHFFFAOYSA-N
-rxn:5:178467:225632:228878,CCOC(=O)C1=Cc2cc(-c3cnn(C4COC4)c3)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,DSDRTXXAJFNNCU-UHFFFAOYSA-N
-rxn:5:178467:225849:227970,CCOC(=O)C1=Cc2cc(-c3ccncc3C(C)(C)C)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,ARMRYGZRSWXEJV-UHFFFAOYSA-N
-rxn:5:178467:226679:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,SRUBWPSKBJPEQC-UHFFFAOYSA-N
-rxn:5:178467:226898:227626,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOC4)nc3)cc(-c3cn(S(=O)(=O)N(C)C)nc3C)c2OC1,FOQXYMSWBGDDCJ-UHFFFAOYSA-N
-rxn:5:178467:227505:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,ZOZLGFSECGUQPS-JLHYYAGUSA-N
-rxn:5:178467:227611:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnn3C3CCCCO3)c2OC1,HIOSRJCOJXLSGU-UHFFFAOYSA-N
-rxn:5:178467:227701:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,KGICWRXWVOZILD-UHFFFAOYSA-N
-rxn:5:178467:228321:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,GFUFSWBYCIRWRB-UHFFFAOYSA-N
-rxn:5:178467:228712:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccnn3C3CCC3)c2OC1,OXEZQTSMXJZKSM-UHFFFAOYSA-N
-rxn:5:178467:228974:225803,CCOC(=O)C1=Cc2cc(-c3ccnc(OC4CCOCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,MHYNSGAIPKDKKT-UHFFFAOYSA-N
-rxn:5:178556:223006:226326,N#CC1(c2cccc(-c3ccc(-c4ccc(F)c(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2F)CC1,VPQFWJJOARTKQA-UHFFFAOYSA-N
-rxn:5:179418:222982:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(CN3CC[C@@H](O)C3)cc2)s1)N1CCOCC1,FWLFBRHRTWUCAO-UIDYPRJRSA-N
-rxn:5:179418:225684:225805,Cc1nc(C2CCOCC2)ccc1-c1cc(CS(C)(=O)=O)ccc1-c1ccc(C(C)N2CCOCC2)s1,HGBDHCQXJWBNDJ-UHFFFAOYSA-N
-rxn:5:179418:226330:225805,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCC1,SIMCWQXXEHSXMK-UHFFFAOYSA-N
-rxn:5:180021:225987:227656,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(N2CCOCC2)cs1,MJGFETIOGLSCCQ-UHFFFAOYSA-N
-rxn:5:180022:225986:226429,COc1c(-c2ccc(N3CCCC(C)C3)s2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,WYWIJWAIIGKFKB-UHFFFAOYSA-N
-rxn:5:180377:225937:222405,CC(C)c1cnc(C(F)(F)F)cc1-c1c(C(C)C)cc(-c2cccc(C3NC(=O)NC3=O)c2)cc1C(C)C,KLGQJEZQMFDQII-UHFFFAOYSA-N
-rxn:5:180421:223146:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,ZLEBSFKTMMWIIT-UHFFFAOYSA-N
-rxn:5:180421:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccccc1C1CNCCO1,QTILXTFDJLNHMH-UHFFFAOYSA-N
-rxn:5:180602:226794:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cnc(N4CCSCC4)nc3)c2O1,LJQNVJOSWBBJFF-UHFFFAOYSA-N
-rxn:5:180662:223000:226729,COC(=O)C1=Cc2cc(-c3cnc(OC4CCOC4)nc3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,PJEUOXNNIWSMCW-UHFFFAOYSA-N
-rxn:5:180662:223001:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,SAHOMMVESRUBLV-UHFFFAOYSA-N
-rxn:5:180662:223061:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ZTIWFWXMODLEFB-UHFFFAOYSA-N
-rxn:5:180662:223064:226679,COC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,FMSUCCLMSMXKDW-UHFFFAOYSA-N
-rxn:5:180662:223134:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cnccc3C3CCCNC3)c2OC1,DTLRXHYUAIGSIT-UHFFFAOYSA-N
-rxn:5:180662:223138:226854,COC(=O)C1=Cc2cc(-c3c(F)ccc(OC)c3[N+](=O)[O-])cc(-c3ccnc(C4CCNCC4)c3)c2OC1,QXBLSVKSGRHJNV-UHFFFAOYSA-N
-rxn:5:180662:225683:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCCOC4)nc3C)c2OC1,FQLARIKMIMDDPS-UHFFFAOYSA-N
-rxn:5:180662:225684:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCOCC4)nc3C)c2OC1,SRYYFCVBGQDXPH-UHFFFAOYSA-N
-rxn:5:180662:225833:225834,COC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,BJDBHWXKKZLQIF-UHFFFAOYSA-N
-rxn:5:180662:225881:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,HVCIMJJIGVDRRV-UHFFFAOYSA-N
-rxn:5:180662:225926:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,OFOMBJBPKYKYAW-UHFFFAOYSA-N
-rxn:5:180662:226572:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(OC4CCCC4)nc3)c2OC1,JQEFDHVEPFXVEW-UHFFFAOYSA-N
-rxn:5:180662:227505:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,NBMDOXAFENLLPC-JLHYYAGUSA-N
-rxn:5:180662:227710:225684,COC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)nc3C)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,AOLVOVBSJDXJFF-UHFFFAOYSA-N
-rxn:5:181904:222956:225394,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2cc(C3CCC3)cc(C3CC3)c2)c(C2CCCNC2)c1,YYVIPYHBBDYVKQ-UHFFFAOYSA-N
-rxn:5:181904:225683:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2ccc(C3CCCOC3)nc2C)ccc(C2OCCO2)c1C,AVCAJZMWXDHJJW-UHFFFAOYSA-N
-rxn:5:181907:222988:222996,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,KOQJRDRWGWXCSK-UHFFFAOYSA-N
-rxn:5:181907:225394:225514,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,YMZWFQNOYBTSHT-UHFFFAOYSA-N
-rxn:5:181907:225805:223140,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCCNC3)c2)c(C2OCCO2)c1,HTVWENIHIJHBMQ-UHFFFAOYSA-N
-rxn:5:181907:225805:223141,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cncc(C3CCNCC3)c2)c(C2OCCO2)c1,JTLLWMNYZTUCBD-UHFFFAOYSA-N
-rxn:5:182012:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(C2CCCOC2)c1,VFXLUUOVDFEAEQ-UHFFFAOYSA-N
-rxn:5:182012:225832:226366,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(C2CCCOC2)c1,UUXMDBLDHFAYNT-UHFFFAOYSA-N
-rxn:5:183228:223065:225987,CC1(C)CCc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2O1,SVLDCPMONBCJBQ-UHFFFAOYSA-N
-rxn:5:188387:225943:225833,CCOC(=O)c1nc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,VZGRKELSTLWXQW-UHFFFAOYSA-N
-rxn:5:188448:225944:225672,COC(=O)c1cc(-c2cc(F)nc(C3CCCCC3)c2)c([N+](=O)[O-])cc1-c1c(F)cc(F)c(OC(C)C)c1F,XMFFWACZTHAPQD-UHFFFAOYSA-N
-rxn:5:188867:223065:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(N2CCNCC2)cc1F,ZCLNSSJMUPDEFP-UHFFFAOYSA-N
-rxn:5:188930:225597:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC3CCCCC3)nc2)cc1-c1cncnc1C1CCCC1,LCSTTXPMVZFFFS-UHFFFAOYSA-N
-rxn:5:188930:225607:227438,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1ccnc(C2CCOC2)c1,WBNWAZCJHREZHR-UHFFFAOYSA-N
-rxn:5:188930:225794:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)cc1-c1cccnc1C1CCCCC1,NLGJSOWVNYRIBX-UHFFFAOYSA-N
-rxn:5:188930:227093:225794,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCC2)cc1-c1cnc(OC2CCCCC2)nc1,UJWDBQRHPVNBMK-UHFFFAOYSA-N
-rxn:5:188932:225597:227381,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,HWGFSJAQFCCDDA-UHFFFAOYSA-N
-rxn:5:188932:225794:226174,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)c1,IDPFLHQQYHLFST-UHFFFAOYSA-N
-rxn:5:188932:225794:226177,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,IRTGTJMUYHUKJI-UHFFFAOYSA-N
-rxn:5:188932:226139:223140,COC(=O)c1cc(-c2ccnc(C3CCCNC3)c2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,JFSMEFLBJAGTLZ-UHFFFAOYSA-N
-rxn:5:188932:226181:223139,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,JXOHXEPGKNCRLW-UHFFFAOYSA-N
-rxn:5:188932:226319:223065,COC(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(N3CCNCC3)cc2F)c1,IWZBDWWOPIDWSC-UHFFFAOYSA-N
-rxn:5:188932:226382:226177,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,XDPNJZVBCVDBHP-UHFFFAOYSA-N
-rxn:5:188932:226382:226338,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCC3)c2)c1,FPAQQIZPJWGRNP-UHFFFAOYSA-N
-rxn:5:189078:225976:225784,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)nc1,NPGZERCHPMJBQU-UHFFFAOYSA-N
-rxn:5:189207:226177:227904,CCN(C)c1ccc(-c2ccc(-c3ccnc(C4CCCCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cc1,JHQBBSPLFJZKAS-UHFFFAOYSA-N
-rxn:5:189208:227045:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(-c2cccc(SC(C)(C)C)c2)ccc1C(=O)ON1C(=O)CCC1=O,QSNFJOKRNNSKDK-UHFFFAOYSA-N
-rxn:5:189209:223294:227076,CCC(C)c1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3csc(N4CCNCC4)n3)c2)c1,GUWJAINXEPGYKD-UHFFFAOYSA-N
-rxn:5:189209:226188:225622,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccccc2OC2CCCCO2)c1,DDEFLOVMLSBQJC-UHFFFAOYSA-N
-rxn:5:189209:226422:228306,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)ccc3N3CCCC3)c2)cn1,QUJONTLCEFTNRH-UHFFFAOYSA-N
-rxn:5:189209:227377:226320,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cncnc4C4CCCC4)c3)c2)CC1,GUKYDBUHYRTLGF-UHFFFAOYSA-N
-rxn:5:189209:228306:226441,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCCC4)cc3F)c2)cn1,GULCBAHUIDKFBH-UHFFFAOYSA-N
-rxn:5:189210:227076:227409,CCC(C)c1ccc(F)c(-c2cccc(-c3cc(C(C)(C)C)ncc3F)c2C(=O)ON2C(=O)CCC2=O)c1,SAOOAOZBXASUEP-UHFFFAOYSA-N
-rxn:5:189212:225623:227937,CC(C)Sc1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(OC3CCOCC3)c2)c1,RMBVZIPQVTZGEA-UHFFFAOYSA-N
-rxn:5:189212:226331:227377,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cncnc3C3CCCC3)c(F)c2)CC1,JEAZFVZETSNNSN-UHFFFAOYSA-N
-rxn:5:189212:227381:226331,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCCC4)nc3)c(F)c2)CC1,BGAODHDSFFVMTL-UHFFFAOYSA-N
-rxn:5:189321:222993:226761,CSc1ccc(-c2ccc(-c3cccc(N4CCCCC4O)c3)nc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,MJLJVECGUPCKNA-UHFFFAOYSA-N
-rxn:5:189322:222989:226844,Cc1cc(N2CCNCC2)ccc1-c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)OC(C)(C)C)c1,XPCZIBGZHFSOJP-UHFFFAOYSA-N
-rxn:5:189323:222989:226844,Cc1cc(N2CCNCC2)ccc1-c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C(=O)OC(C)(C)C,LIDZJXLHUFDXKN-UHFFFAOYSA-N
-rxn:5:189323:226144:223018,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ncc1-c1ccc(C#C[Si](C)(C)C)cc1,NUVCZWAWJMASFP-UHFFFAOYSA-N
-rxn:5:189676:225515:227048,CC(C)C(=O)c1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cccc3c2OCC(C)(C)CO3)cc1,SLRXMDPLYUJFGR-UHFFFAOYSA-N
-rxn:5:189826:223054:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)N4CCC(O)C4)s3)c2)c(F)c(C(F)(F)F)c1,GBQSKYQUWGOJCB-UHFFFAOYSA-N
-rxn:5:189908:222988:227506,Cc1cc(-c2cnc(-c3cccc(/C=C/[N+](=O)[O-])c3)c(OCC3CCCCC3)c2)cc(C2CCNCC2)n1,YPNOMYKHZJNJOG-NTCAYCPXSA-N
-rxn:5:189909:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOCC3)c2)CC1,TUGSBCZALJIFND-UHFFFAOYSA-N
-rxn:5:189909:225982:225976,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,VMYBTDLJMPFKNQ-UHFFFAOYSA-N
-rxn:5:189952:222417:223006,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FCDYSQNXTPEUTJ-UHFFFAOYSA-N
-rxn:5:189952:222981:227799,COc1c(-c2ccnc(NC3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(F)(F)F)c(F)c1,RSAJTKIKEOSLSQ-UHFFFAOYSA-N
-rxn:5:189952:226645:225976,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,AZZSNMJNBPOUIJ-UHFFFAOYSA-N
-rxn:5:190001:222992:222404,O=C1NC(=O)C(c2ccc(-c3ccc(CC(=O)N4CCCCC4)cc3-c3ccc(N4CCCCC4O)cc3)cc2)N1,KJTHKDRXEUOLCC-UHFFFAOYSA-N
-rxn:5:190001:228567:225507,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc2c(c1)CCC2C(=O)OC,BXKDRHUNOPOGNQ-UHFFFAOYSA-N
-rxn:5:190127:225881:228461,COC1CCN(C(=O)c2cc(-c3ccc(C4CCOCC4)nc3F)ccc2-c2cccnc2OC(F)F)CC1,GSSUVMPXXPUMFU-UHFFFAOYSA-N
-rxn:5:190127:225988:226827,COC1CCN(C(=O)c2cc(-c3c(F)cc(C4OCCO4)cc3F)ccc2-c2ccc(C(F)(F)F)c(C)c2F)CC1,POJCVZGWRMXXEZ-UHFFFAOYSA-N
-rxn:5:190131:225655:227943,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C)ccc1N(C)C,UAVNKPKBPRCCMK-UHFFFAOYSA-N
-rxn:5:190194:225636:223388,COC1CCN(Cc2cccc(-c3ccnc(N4CCC(C)CC4)c3)c2-c2ccc(S(=O)(=O)O)cc2)CC1,ZAUIKPKXNARVIV-UHFFFAOYSA-N
-rxn:5:190194:225805:228692,COC1CCN(Cc2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2ccc(CN(C)C)s2)CC1,KSYGFCFITKAYDH-UHFFFAOYSA-N
-rxn:5:190194:227040:225453,COC1CCN(Cc2cccc(-c3cc(C)ccc3OC(C)C)c2-c2cccc(SC3CCCCC3)c2)CC1,WPCIWEYLMKPULD-UHFFFAOYSA-N
-rxn:5:190194:227348:226150,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c(C)c1OC,LTHGGXBLRGXLFA-UHFFFAOYSA-N
-rxn:5:190194:228079:225450,COC1CCN(Cc2cccc(-c3cccc4c3COC4=O)c2-c2ccc(C(=O)C3CCCC3)cc2)CC1,PETHAWCMUKNCHF-UHFFFAOYSA-N
-rxn:5:190195:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,SETTWTWCNJHMDG-UHFFFAOYSA-N
-rxn:5:190195:225978:223113,CN(Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,BRQYZHKOVRRHER-UHFFFAOYSA-N
-rxn:5:190195:226364:223113,CN(Cc1ccc(-c2ccc(N3CCCCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,NJUDCOUBVGJGDP-UHFFFAOYSA-N
-rxn:5:190196:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cccc(CN3CCSCC3)c2)c1,MOAQDCVCVGETCZ-UHFFFAOYSA-N
-rxn:5:190196:223113:225784,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(CN2CCOCC2)nc1)C1CCOCC1,VUDZBLUMFOHSCV-UHFFFAOYSA-N
-rxn:5:190197:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(C3CCNCC3)ncc2F)c1,QAAKPPBHLSNWOX-UHFFFAOYSA-N
-rxn:5:190199:225633:226740,CN(Cc1cc(-c2cccc(C(F)(F)F)c2C#N)ccc1-c1ccc(N2CCCCCC2)nc1)C1CCOCC1,ZFSQOMBDTVHQKF-UHFFFAOYSA-N
-rxn:5:190199:225985:227376,CN(Cc1cc(-c2cncc(N3CCCC3)c2)ccc1-c1cccc(N2CCCS2(=O)=O)c1)C1CCOCC1,QPPHIIOHACDWMM-UHFFFAOYSA-N
-rxn:5:190231:222995:227507,COc1c(-c2cccc(C=C[N+](=O)[O-])c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(N2CCCC(O)C2)c1,OSAKNJZALVPYCZ-UHFFFAOYSA-N
-rxn:5:190231:227498:226851,COc1cc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cnc(N(C)C)cc3OC)c2OC)c(C(F)(F)F)cn1,URNTYJHPYHINPO-UHFFFAOYSA-N
-rxn:5:190264:227935:226062,CCc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)ccc1OC,VRRVFGICOLIMLV-UHFFFAOYSA-N
-rxn:5:190335:223001:228305,COc1c(-c2cnc(OC(C)C)cn2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CCCNC2)ccc1F,LXQCWJGRMOBPLI-UHFFFAOYSA-N
-rxn:5:190336:226469:223421,CNC(C)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc4c(c3)N(C)C(=O)CO4)c2OC)s1,HCZUJZICBGNXTH-UHFFFAOYSA-N
-rxn:5:190404:226921:226164,Cc1cc(C)c(C2CC2)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccc(N4CCCCC4)cc3)CC2)o1,KMTJXLATXUZHRK-UHFFFAOYSA-N
-rxn:5:190421:223054:227992,CC(c1ccc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(C7COC7)cc6)c5)C4=O)o3)cc2)s1)N1CCC(O)C1,JOOLEBYCDCTKCV-UHFFFAOYSA-N
-rxn:5:190484:223139:227501,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,RMKYXYXYHUHLCD-UHFFFAOYSA-N
-rxn:5:190484:223142:228965,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,WAWPPRDQSKSADL-UHFFFAOYSA-N
-rxn:5:190484:223354:223138,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNCC5)c4)S(=O)(=O)CC3)c2)cc1,IRZUHUHDUQKGMJ-UHFFFAOYSA-N
-rxn:5:190484:226777:228381,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(F)cc(C#N)cc4F)S(=O)(=O)CC3)c2)cc(OC(F)F)c1F,MDVYYSXTLDLHMX-UHFFFAOYSA-N
-rxn:5:190484:227309:228195,CCC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C(C)(C)C)nc4C)S(=O)(=O)CC3)c2)cc(F)n1,RMDLTZICUSXFBJ-UHFFFAOYSA-N
-rxn:5:190484:227412:227971,CC(C)(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(C)(C)C)S(=O)(=O)CC3)c2)cn1,OXZMRPOXGNBRLD-UHFFFAOYSA-N
-rxn:5:190484:227449:223147,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,HQQAKHDMZYNKOB-UHFFFAOYSA-N
-rxn:5:190484:227810:227409,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cc1,KJKSSRYATBZTQE-UHFFFAOYSA-N
-rxn:5:190484:227907:227076,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)CC)ccc4F)S(=O)(=O)CC3)c2)c1,BMVBDEYIGPUEHB-UHFFFAOYSA-N
-rxn:5:190587:225976:225607,CCOC(=O)c1cc2c(-c3ccnc(N4CCOCC4)c3F)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,BIHNJVGCPYSVJE-UHFFFAOYSA-N
-rxn:5:190587:225976:225805,CCOC(=O)c1cc2c(-c3ccnc(N4CCOCC4)c3F)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,ZNPHTDIISIRYGK-UHFFFAOYSA-N
-rxn:5:190646:225805:225833,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cccc2c1-c1ccnc(N2CCCCC2)c1F,IGHZMAMEDGLOPW-UHFFFAOYSA-N
-rxn:5:190646:225943:223063,CCOC(=O)c1cnc2c(-c3ccc(C(=O)N4CCOCC4)s3)cccc2c1-c1cc(F)nc(C2CCNCC2)c1,VOXLKMZVBSHRJA-UHFFFAOYSA-N
-rxn:5:190647:225805:225833,CCOC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)nc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc12,ZOWHDVQCUXUNME-UHFFFAOYSA-N
-rxn:5:190651:225607:225976,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)c2nccc(-c3ccnc(N4CCOCC4)c3F)c2c1,HYZPBLBBVMAYER-UHFFFAOYSA-N
-rxn:5:190711:225634:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)c2cc(-c3cnc(N4CCCCC4)c(C)c3)ccc2n1C,TWHCDAQWHYHSEW-UHFFFAOYSA-N
-rxn:5:190711:225833:222987,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2n1C,GPOPJKQRAGATIF-UHFFFAOYSA-N
-rxn:5:190740:223002:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)cc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,QXLYWJALHBPDHN-UHFFFAOYSA-N
-rxn:5:190740:223008:225794,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ccc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,UWMLWOOTNLBAGG-UHFFFAOYSA-N
-rxn:5:190740:223061:225600,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cccnc1OC1CCCCC1,OTDJHSDSYOGEKG-UHFFFAOYSA-N
-rxn:5:190740:223062:225833,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,DQACYQPCCNCSLO-UHFFFAOYSA-N
-rxn:5:190740:223065:225631,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCN(C)CC2)cc1,MOZNNERYYAEDAE-UHFFFAOYSA-N
-rxn:5:190740:223065:225798,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(OC2CCOCC2)nc1,PAVYWUUZWYQSFR-UHFFFAOYSA-N
-rxn:5:190740:225784:223006,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)nc3)cc2c1-c1ccc(F)c(C2CCNCC2)c1,BDJFYLVMMCNJRE-UHFFFAOYSA-N
-rxn:5:190740:225794:225870,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCCC4)nc3)cc2c1-c1cc(F)cc(N2CCOCC2)c1,LSKWWLJSJHLPOQ-UHFFFAOYSA-N
-rxn:5:190740:225806:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,FPXKJPCYJHPCCM-UHFFFAOYSA-N
-rxn:5:190740:225881:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,DUCWYEUCBSGSTI-UHFFFAOYSA-N
-rxn:5:190740:225881:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,KRHMEHRDKWGZPY-UHFFFAOYSA-N
-rxn:5:190740:225976:222981,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(NC2CCCCC2)c1,UPNPHBALAPBPQW-UHFFFAOYSA-N
-rxn:5:190740:225976:225652,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cncc(N2CCCC(C)C2)c1,TVJOPFYQBZAOQJ-UHFFFAOYSA-N
-rxn:5:190740:225982:225605,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(C)cnc1OC1CCCC1,DHRDTMPKZJKFRB-UHFFFAOYSA-N
-rxn:5:190740:225982:226330,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(C(C)N2CCCC2)s1,VXAOOWSBVQDJBQ-UHFFFAOYSA-N
-rxn:5:190741:223056:223062,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,GKDNTDUFCOMZOL-UHFFFAOYSA-N
-rxn:5:190741:223062:225597,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(OC2CCCCC2)nc1,SJGDYTQUSIPPIR-UHFFFAOYSA-N
-rxn:5:190741:223064:225641,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,RIYHLVHGSUGLBC-UHFFFAOYSA-N
-rxn:5:190741:223065:225589,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCSCC2)cc1,CPYFYYJDNIIAPY-UHFFFAOYSA-N
-rxn:5:190741:223065:225637,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccccc1N1CCN(C)CC1,YQDPMIVRJNNGCK-UHFFFAOYSA-N
-rxn:5:190741:225607:225833,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,VOACUXCCVWHLET-UHFFFAOYSA-N
-rxn:5:190741:225806:225639,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,RKNUJGSUTFNLCC-UHFFFAOYSA-N
-rxn:5:190741:225806:225655,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,VNNDNRHQQWVGJZ-UHFFFAOYSA-N
-rxn:5:190741:225806:225784,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,QLTBHRNQDIZQBU-UHFFFAOYSA-N
-rxn:5:190741:225833:223065,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCNCC2)cc1F,BAUWMPMPNXUENE-UHFFFAOYSA-N
-rxn:5:190741:225833:225452,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(OC2C=CCCC2)cc1,HZMIDYDXTNHMFY-UHFFFAOYSA-N
-rxn:5:190741:225833:225589,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(CN2CCSCC2)cc1,DAUDGHOFZOKFOC-UHFFFAOYSA-N
-rxn:5:190741:225833:225605,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cc(C)cnc1OC1CCCC1,BNDAMRWTNQRBRB-UHFFFAOYSA-N
-rxn:5:190741:225833:225613,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,UGWCMSMYDMWEJK-UHFFFAOYSA-N
-rxn:5:190741:225833:225798,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(OC2CCOCC2)nc1,RHMQZSSTWVZOSZ-UHFFFAOYSA-N
-rxn:5:190741:225833:225799,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cncc(OC2CCOCC2)c1,CWGRASMUXOGTOM-UHFFFAOYSA-N
-rxn:5:190741:225849:225639,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,YDPVPLKPVCUGOA-UHFFFAOYSA-N
-rxn:5:190741:225868:225636,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)c(F)c3)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,VWRBJGGIZHMRIG-UHFFFAOYSA-N
-rxn:5:190741:225976:225799,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cncc(OC2CCOCC2)c1,NHBLVPZJDNEURP-UHFFFAOYSA-N
-rxn:5:190741:226427:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ODDMTSYGQLYURM-UHFFFAOYSA-N
-rxn:5:190741:226429:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCCC(C)C4)s3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YFVBGRLFCJUJOY-UHFFFAOYSA-N
-rxn:5:190741:226661:222998,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)cc(C)cc2c1-c1cc(F)cc(C2CCCNC2)c1,LRNFPJYONQKRJQ-UHFFFAOYSA-N
-rxn:5:190741:226662:222996,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1ccc(F)cc1C1CCCNC1,NCILWOXRRSNAOK-UHFFFAOYSA-N
-rxn:5:190742:222990:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)cc3)c2c1-c1ccc(N2CCNCC2)cc1F,KOVTZQRDOGEQBC-UHFFFAOYSA-N
-rxn:5:190742:223056:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,XRENYLQBOOBXGG-UHFFFAOYSA-N
-rxn:5:190742:223061:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(CN2CCOCC2)nc1,DJGNZUYAERBDDW-UHFFFAOYSA-N
-rxn:5:190742:223061:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cc(N2CCCCC2)ncc1F,GQXRXNSHSHVWGZ-UHFFFAOYSA-N
-rxn:5:190742:223064:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccnc(N2CCCCC2)c1F,SYXHRHGTYLJQGW-UHFFFAOYSA-N
-rxn:5:190742:223065:225597,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(OC2CCCCC2)nc1,DHWQJJDCMOADBH-UHFFFAOYSA-N
-rxn:5:190742:223065:225600,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccnc1OC1CCCCC1,XGZOUQQPXNFCFC-UHFFFAOYSA-N
-rxn:5:190742:223065:225638,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(C)CC2)nc1,RZDVATBROYLOAL-UHFFFAOYSA-N
-rxn:5:190742:225655:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(CN2CCOCC2)nc1,WVZMUIORADEYGG-UHFFFAOYSA-N
-rxn:5:190742:225784:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCC(O)CC2)nc1,JTPSAAYQNSSKRP-UHFFFAOYSA-N
-rxn:5:190742:225784:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(C2CCNCC2)ncc1F,YOTPRXYHVHCVOE-UHFFFAOYSA-N
-rxn:5:190742:225784:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCNCC2)cc1F,IKPHMBKNTWSMAE-UHFFFAOYSA-N
-rxn:5:190742:225784:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(CN2CCCC2)c(F)c1,CTPFQPVUZRLCNL-UHFFFAOYSA-N
-rxn:5:190742:225794:225870,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCCC4)nc3)c2c1-c1cc(F)cc(N2CCOCC2)c1,MHTOBGKKHOGQBL-UHFFFAOYSA-N
-rxn:5:190742:225805:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1-c1ccnc(N2CCCCC2)c1F,ZHQXUJGRSCWHNN-UHFFFAOYSA-N
-rxn:5:190742:225805:226679,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1-c1cnc(N2CCCC2)cc1F,QKMBEWCNLKSFGX-UHFFFAOYSA-N
-rxn:5:190742:225806:225636,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCC4)cc3F)c2c1-c1ccnc(N2CCC(C)CC2)c1,UQGURIJTODVYCF-UHFFFAOYSA-N
-rxn:5:190742:225833:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccnc(OC2CCOCC2)c1,JTCUPCYGLUDUCS-UHFFFAOYSA-N
-rxn:5:190742:225976:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cncc(N2CCC(C)CC2)c1,FMURSKQTWOWGNL-UHFFFAOYSA-N
-rxn:5:190742:225976:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(OC2CCOCC2)c1,SLYZGPAFTPNJOZ-UHFFFAOYSA-N
-rxn:5:190742:225980:225600,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cccnc1OC1CCCCC1,CAXXOLVZNSPDOV-UHFFFAOYSA-N
-rxn:5:190742:225982:225638,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCC(C)CC2)nc1,CILBBAUMGONZOM-UHFFFAOYSA-N
-rxn:5:190742:226330:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1cnc(N2CCOCC2)cc1F,RYPZHWSMHPJARM-UHFFFAOYSA-N
-rxn:5:190742:226583:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(C2CCNCC2)nc1F,DKQJTHQIXBOBPB-UHFFFAOYSA-N
-rxn:5:190742:226661:223006,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccc(F)c(C2CCNCC2)c1,PSXJAOGYSKZNDN-UHFFFAOYSA-N
-rxn:5:190743:225784:225784,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccc(CN2CCOCC2)nc1,ZDEUGJPEDGQLNX-UHFFFAOYSA-N
-rxn:5:190743:225834:223062,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,KHRFBFBQCQSBOH-UHFFFAOYSA-N
-rxn:5:190744:223062:225976,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,IARXVAXUWVIOMP-UHFFFAOYSA-N
-rxn:5:190744:223065:225639,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,BFTNKECETXPNPY-UHFFFAOYSA-N
-rxn:5:190744:225639:225595,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1ccc(F)c(CN2CCCC2)c1,PZUFEPMZBFDZGO-UHFFFAOYSA-N
-rxn:5:190744:225639:225849,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,ZAKIWILXUILSEL-UHFFFAOYSA-N
-rxn:5:190744:225655:225980,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,JDWOTJRBZBPNBJ-UHFFFAOYSA-N
-rxn:5:190744:225794:225870,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1cc(F)cc(N2CCOCC2)c1,NHMZOSLGHJJWTO-UHFFFAOYSA-N
-rxn:5:190744:225849:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,ZDARRTNUWHXGGF-UHFFFAOYSA-N
-rxn:5:190744:225870:225794,CCOC(=O)c1cnc2c(-c3cc(F)cc(N4CCOCC4)c3)c(C)ccc2c1-c1cnc(OC2CCCCC2)nc1,YTJKDSVPVQBAQJ-UHFFFAOYSA-N
-rxn:5:190744:225980:223061,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,SIYPXDKTYVWXCK-UHFFFAOYSA-N
-rxn:5:190797:225451:226140,COc1ccc(C(C)(C)C)cc1-c1cc(-c2ccc(SC3CCCCC3)cc2)cc2c1ccn2C(=O)OC(C)(C)C,VLXPYUWDAMQFSU-UHFFFAOYSA-N
-rxn:5:190832:225613:225806,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(OC4CCCCC4)c3)c(C)c2c1-c1cnc(OC2CCCC2)cc1F,PBCJIUQFWDRMAB-UHFFFAOYSA-N
-rxn:5:190833:223295:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3cncc(NS(C)(=O)=O)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,HBKDTUJSRDMVPV-UHFFFAOYSA-N
-rxn:5:190833:226580:229012,CC(C)c1ccsc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,QQUCZUSTYUCZSY-UHFFFAOYSA-N
-rxn:5:190833:227048:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,IXVFUMKTHFKFBV-UHFFFAOYSA-N
-rxn:5:190833:227048:227898,CC(C)Cc1cncc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,KDEGRTCDXQVSND-UHFFFAOYSA-N
-rxn:5:190833:227530:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(=O)OC)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,DRAKDXTYLHUADA-UHFFFAOYSA-N
-rxn:5:190833:228906:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccnc(C(F)F)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,GDUQPAVWMHQLJY-UHFFFAOYSA-N
-rxn:5:190859:223089:226414,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3[nH]c(C(F)(F)F)nc3c1)c2-c1ccc(C2=NCCCO2)cc1,IWFDJSMYIXJXLY-UHFFFAOYSA-N
-rxn:5:190993:225655:225881,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(C6CCOCC6)nc5F)cc3)C(=O)CO4)c2)CC1,HPHMZGQGMOGBBJ-UHFFFAOYSA-N
-rxn:5:190993:225804:226349,CC(C)(C)Oc1cc(F)cc(-c2ccc(CCN3Cc4cc(-c5ccc(C(=O)N6CCC6)c(F)c5)ccc4OCC3=O)cc2)c1,AVGNYFOGMLDQKA-UHFFFAOYSA-N
-rxn:5:190998:227077:227048,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(=O)C(C)C)cc4)cc2C(=O)OC)C(=O)CO3)c(F)c1,RFJLVBFIDNKYJO-UHFFFAOYSA-N
-rxn:5:191026:227076:227309,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)nc(C(C)CC)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,ZWBSTWUNVRWXQH-UHFFFAOYSA-N
-rxn:5:191026:227076:227706,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(OC)cnc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)c1,UZYCEJSEQKQBFJ-UHFFFAOYSA-N
-rxn:5:191026:227276:226920,CCc1cc(N(C)C)ncc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C(C)(C)C)ccc3C)c1)C=C(C(=O)OC)S2(=O)=O,ZNBABPRJCGVFNQ-UHFFFAOYSA-N
-rxn:5:191026:228567:226974,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc4c(c3)COC4(C)C)c1)C=C(C(=O)OC)S2(=O)=O,ILYUCPGBCLTIIX-UHFFFAOYSA-N
-rxn:5:191802:225605:225607,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2C=C[N+](=O)[O-])c1,LUXHBQAIUOQHIQ-UHFFFAOYSA-N
-rxn:5:192234:222989:226330,COc1c(-c2ccc(C(C)N3CCCC3)s2)cc(-c2ccc(N3CCNCC3)cc2C)cc1S(N)(=O)=O,BQRYGSPLDZLMRP-UHFFFAOYSA-N
-rxn:5:192236:223139:223054,COc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1,KRIIJZRUXKONKZ-UHFFFAOYSA-N
-rxn:5:192236:225671:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C2CCCCC2)ncc1F,XJIHCBIMBLNWLT-UHFFFAOYSA-N
-rxn:5:192236:225677:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1ccc(C2CCCCC2)nc1F,TYCPEDBYRVXYLL-UHFFFAOYSA-N
-rxn:5:192570:225871:223065,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCC1,UHOWJXKBUVACQB-UHFFFAOYSA-N
-rxn:5:193053:225872:225986,O=C(c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCCC1,YCWJVGWUGSVDTH-UHFFFAOYSA-N
-rxn:5:193229:227087:225440,Cc1cnc(C(C)(C)C)c(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(C3(C#N)CCCC3)cc2)c1,OWCBUILANZRSFG-UHFFFAOYSA-N
-rxn:5:193230:223062:223006,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,LIMIRMPTKXFQFH-UHFFFAOYSA-N
-rxn:5:193230:223062:223065,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,KJMZBKZNYLRWGL-UHFFFAOYSA-N
-rxn:5:193230:223065:223061,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,GZKFKSVMDKRHTP-UHFFFAOYSA-N
-rxn:5:193230:223065:227316,CC(C)Cc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C(=O)N2CCOCC2)cc(F)n1,NLYQXRXWEVGBPL-UHFFFAOYSA-N
-rxn:5:193231:225588:226431,O=C(c1ccc(-c2ccccc2CN2CCSCC2)cc1-c1ccc(N2CCCC2)c(F)c1)N1CCSCC1,WOIKZXRXIDEZJO-UHFFFAOYSA-N
-rxn:5:193382:222958:227656,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)cc1C1CCNCC1,XPVXIKBQBVNYTO-UHFFFAOYSA-N
-rxn:5:193382:222996:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCOCC1,XQTJFXKVRGVNNH-UHFFFAOYSA-N
-rxn:5:193382:222996:223061,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,XSGRILDRAQPZBY-UHFFFAOYSA-N
-rxn:5:193382:223054:223138,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNCC4)c3)c2)s1)N1CCC(O)C1,MURVIFDQUUASLO-UHFFFAOYSA-N
-rxn:5:193382:223054:227657,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)s3)c2)s1)N1CCC(O)C1,MOWRWYGIVFXYMP-UHFFFAOYSA-N
-rxn:5:193382:223136:225982,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,ZMOCQVWWRZFKNP-UHFFFAOYSA-N
-rxn:5:193382:223142:223137,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,SAGYQPDJESWEFI-UHFFFAOYSA-N
-rxn:5:193382:223241:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cncc(C3CCNC3)c2)ccc1S(=O)(=O)N1CCOCC1,NVKSZCYHVPHXQP-UHFFFAOYSA-N
-rxn:5:193382:223285:223131,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCNCC3)cc2)c1,URORQUPCFNNLRD-UHFFFAOYSA-N
-rxn:5:193382:223289:227449,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCOCC3)s2)c1,RIQFVGDDPQCXRS-UHFFFAOYSA-N
-rxn:5:193382:223311:223054,CC(c1ccc(-c2cc(-c3cccc(C4CNC4)c3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,FRDUHRIYENOUPE-UHFFFAOYSA-N
-rxn:5:193382:225636:223001,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(C5CCCNC5)ccc4F)c3)ccn2)CC1,KWEHRLSFOMIHNM-UHFFFAOYSA-N
-rxn:5:193382:225805:228965,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])nc3)c2)s1)N1CCOCC1,HQVNWVXKXLCCDB-UHFFFAOYSA-N
-rxn:5:193382:225926:226415,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3N3CCOCC3)c2)cc1)N1CCC1,XJHQHIKPVFGGAJ-UHFFFAOYSA-N
-rxn:5:193382:225976:223140,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,BOUZRMCZYPHUHA-UHFFFAOYSA-N
-rxn:5:193382:225982:223000,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,JTNGWQLGGNNVCR-UHFFFAOYSA-N
-rxn:5:193382:226447:222956,Cc1ccc(-c2cc(-c3ccnc(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,NRLNDPIAKQTJDY-UHFFFAOYSA-N
-rxn:5:193382:226665:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1S(=O)(=O)N1CCOCC1,LXBYPTCVTMTTRG-UHFFFAOYSA-N
-rxn:5:193382:226898:223140,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCCNC3)c2)c1,GPIBLJNSYJCAGT-UHFFFAOYSA-N
-rxn:5:193382:227657:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)cc1,ZFRZKAATIPHFLB-UHFFFAOYSA-N
-rxn:5:193460:227626:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1c(C(=O)N2CCCCC2)cccc1-c1cnc(C2CCOC2)nc1,UFDCXJDNXKWRMZ-UHFFFAOYSA-N
-rxn:5:193464:226151:225871,Cc1cc(OC(C)C)c(-c2ccc(C3(C#N)CCCCC3)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cc1C,FSOYASVXAFPXOA-UHFFFAOYSA-N
-rxn:5:193506:222417:225805,CC(C)c1[nH]c(=O)ncc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,WIELMDULHDKSCK-UHFFFAOYSA-N
-rxn:5:193506:223149:226426,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCC(C)CC3)s2)c1,CYTGRNOXGKUJIQ-UHFFFAOYSA-N
-rxn:5:193506:223201:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3ccccc3C3CCNC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,ZHYYXRAPYJXLRB-UHFFFAOYSA-N
-rxn:5:193506:223251:227782,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2-c2ccc(C(F)(F)F)nc2F)CC1,KWYWKHUGXAAPJD-UHFFFAOYSA-N
-rxn:5:193506:223311:226662,CN1CCN(c2ccc(-c3cc(-c4cccc(C5CNC5)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,WZBJMZAKCSAHMK-UHFFFAOYSA-N
-rxn:5:193506:223439:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2-c2ccc(N3CCSCC3)nc2)CC1,OAHMOZFQWOQJJZ-UHFFFAOYSA-N
-rxn:5:193506:225833:228511,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(C3CC3)cc2)CC1,ATELRVNISTUWIP-UHFFFAOYSA-N
-rxn:5:193506:226664:228629,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(C3CCC3)s2)CC1,AEIKIEILLQCGCJ-UHFFFAOYSA-N
-rxn:5:193506:226794:228392,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2ccc(C(F)(F)F)cc2)CC1,DCWVDJHQTJMCOD-UHFFFAOYSA-N
-rxn:5:193506:227684:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,JOHPYKGHJQKTFO-UHFFFAOYSA-N
-rxn:5:193506:228207:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,USOFAMNRYBYAAS-UHFFFAOYSA-N
-rxn:5:193506:228221:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccc(N3CCNCC3)cc2)CC1,ZVXSXRFLIGRLDV-UHFFFAOYSA-N
-rxn:5:193506:228223:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,WXAPWRQBSHYHHB-UHFFFAOYSA-N
-rxn:5:193506:228236:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCNCC3)cc2)CC1,DIIXAAGSKJSVEE-UHFFFAOYSA-N
-rxn:5:193506:228391:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2-c2cnc(N3CCSCC3)nc2)CC1,MPRIXQQVMKVRHS-UHFFFAOYSA-N
-rxn:5:193506:228394:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2-c2cnc(N3CCSCC3)nc2)CC1,CZPRRMKIGIFXSG-UHFFFAOYSA-N
-rxn:5:193506:228631:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccsc3C3CCC3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,QEWVGWMUCLWJPO-UHFFFAOYSA-N
-rxn:5:193506:228970:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)s3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,RBUCBFRSQCAIOH-UHFFFAOYSA-N
-rxn:5:193541:226597:226052,CC(C)Oc1c(F)cc(-c2cc(CN3CCCCC3)cc(-c3c(F)ccc(OC(F)(F)F)c3F)c2)cc1F,DUKRDKBRACDJDG-UHFFFAOYSA-N
-rxn:5:193711:223001:227561,COc1cc(F)c(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)C2=O)cc1OC,NQVBRDCBAGIFBU-UHFFFAOYSA-N
-rxn:5:193750:223189:227065,CC1CCN(C(=O)c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2cccc(C(=O)C(C)C)c2)CC1,RYOCZOAFMIQEIL-UHFFFAOYSA-N
-rxn:5:193752:225870:226146,CC1CCCN(C(=O)c2ccc(-c3cc(F)cc(N4CCOCC4)c3)c(-c3ccc(SC4CCCC4)cc3)c2)C1,XIMGYWPSRAOCKY-UHFFFAOYSA-N
-rxn:5:193752:227048:223189,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C(C)C)cc3)c(-c3ccc(NS(C)(=O)=O)cc3F)c2)C1,LQSDAQSSQXFJBG-UHFFFAOYSA-N
-rxn:5:193754:227925:222988,Cc1cc(-c2c(C(=O)N3CCC(C)CC3)cccc2-c2cccc(OC(C)C)c2)cc(C2CCNCC2)n1,WZOWNGMBMKPTGV-UHFFFAOYSA-N
-rxn:5:193756:225653:225613,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1ccnc(OC2CCCCC2)c1,SVUSPVBOUSDSBM-UHFFFAOYSA-N
-rxn:5:193756:225674:227701,COC(=O)c1cc(-c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c(F)cn1,XWSCCYPCEQCYPB-UHFFFAOYSA-N
-rxn:5:193756:225808:226842,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cncc(C(=O)C(F)(F)F)c1,IDKVBRFUERNZDI-UHFFFAOYSA-N
-rxn:5:193756:225938:226437,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C2CC2)cc1-c1cc(C2CCCC2)ncc1F,QPWDREVOIHHLMW-UHFFFAOYSA-N
-rxn:5:193756:226324:227387,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(N2CCCC2)c1,NZVTXOFCRUBPGA-UHFFFAOYSA-N
-rxn:5:193756:227702:226664,COC(=O)c1cnc(F)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(N4CCCC4)ncc3F)c2)c1,AWDHFEKQFHIWLG-UHFFFAOYSA-N
-rxn:5:193809:226427:225820,CC1CCN(Cc2ccc(-c3cc(N4CCC(C)CC4)cs3)cc2-c2c(C3CC3)cccc2C(F)(F)F)CC1,QHFPJBNNRNNSJD-UHFFFAOYSA-N
-rxn:5:193868:225988:223135,CC1CN(C(=O)c2cc(-c3c(F)cc(C4OCCO4)cc3F)ccc2-c2cccnc2C2CCCNC2)CC(C)O1,DOSRLCMBWCRXFF-UHFFFAOYSA-N
-rxn:5:193869:222420:226330,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(C)N2CCCC2)s1,ZNSYOJQPLOKLOX-UHFFFAOYSA-N
-rxn:5:193869:225816:223378,Cc1cc(-c2cc(C3CC3)ccc2C(F)(F)F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc2c(c1)NCCO2,WJAIDNLWPJXSHX-UHFFFAOYSA-N
-rxn:5:193869:226335:228292,Cc1cc(-c2ccc(C3COC3)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc2c1OCCO2,KFAWQIPERRNFBJ-UHFFFAOYSA-N
-rxn:5:193869:227976:222996,Cc1cc(-c2ccc([Si](C)(C)C)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(F)cc1C1CCCNC1,GFEZUUGEXOSVTJ-UHFFFAOYSA-N
-rxn:5:193870:223294:228476,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccnc2C(F)(F)F)cc1-c1csc(N2CCNCC2)n1,BRRBMCBSUXYAOR-UHFFFAOYSA-N
-rxn:5:193872:226190:226742,N#Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C3CCCC3)cc2F)c(C(F)(F)F)c1,XCKJRQXIUYLPMK-UHFFFAOYSA-N
-rxn:5:193892:227702:223061,COC(=O)c1cnc(F)c(-c2ccc(N3C(=O)CSC(c4ccc(-c5cc(C6CCNCC6)ncc5F)cc4)C3=O)cc2)c1,QXAQJZAPWURXEP-UHFFFAOYSA-N
-rxn:5:193968:223388:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1CN1CCC2(CC1)OCCO2,GHAZMYGVPJYZAK-UHFFFAOYSA-N
-rxn:5:193968:227024:223344,CC(c1cccc(-c2ccc(-c3cccc4c3CC(=O)N4)c(CN3CCC4(CC3)OCCO4)c2)c1)N(C)C,DMSAAGUEAKUKIG-UHFFFAOYSA-N
-rxn:5:193968:228784:225514,COc1cc(-c2ccc(-c3cccc4c3OCC3(CC3)CO4)c(CN3CCC4(CC3)OCCO4)c2)ccc1F,MRZVVXCGOCZVAB-UHFFFAOYSA-N
-rxn:5:193972:222958:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C)c(C4CCNCC4)c3)cc2C)s1,IMYDZVVKXFOWFU-UHFFFAOYSA-N
-rxn:5:193972:223054:222420,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,ZIVJPYMANGOAHL-UHFFFAOYSA-N
-rxn:5:193972:223138:222420,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,LWYGZWKDYGDIAE-UHFFFAOYSA-N
-rxn:5:193972:223146:227449,Cc1cc(-c2cccc(C3CNCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CCOCC2)s1,SUNBIQPAMRPZBS-UHFFFAOYSA-N
-rxn:5:193972:223294:228476,Cc1cc(-c2csc(N3CCNCC3)n2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C(F)(F)F,YGDQPMUECCSLNJ-UHFFFAOYSA-N
-rxn:5:193972:228995:225454,CCc1cncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,NYCBHHNOGDKTML-UHFFFAOYSA-N
-rxn:5:194058:222980:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCCCC1,AHXXRXIBLSSPGS-UHFFFAOYSA-M
-rxn:5:194058:223054:223006,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCC(O)C1,MGSVCBGYPMZZQJ-UHFFFAOYSA-M
-rxn:5:194058:223054:225593,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(CN3CCCC3)c2)s1)N1CCC(O)C1,MJLRPVYKCSQRDL-UHFFFAOYSA-M
-rxn:5:194058:223054:226571,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCC(O)C1,RYBTVNXFTZDMKE-UHFFFAOYSA-M
-rxn:5:194058:223054:226662,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCC(O)C1,QDNNUXDAVBPHRA-UHFFFAOYSA-M
-rxn:5:194058:225462:225607,CC1CCN(c2cccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,FCHUTTYGOJMJRG-UHFFFAOYSA-M
-rxn:5:194058:225588:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccccc2CN2CCSCC2)s1)N1CCCCC1,APBKECHRCSANCE-UHFFFAOYSA-M
-rxn:5:194058:225589:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCSCC3)cc2)s1)N1CCCCC1,KQIQTMZFOVEHGE-UHFFFAOYSA-M
-rxn:5:194058:225607:222980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCCCC1,PKSZNLKORUBBMM-UHFFFAOYSA-M
-rxn:5:194058:225607:222984,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCC(O)C3)cc2)s1)N1CCCCC1,OUFLSHODVOXQEB-UHFFFAOYSA-M
-rxn:5:194058:225607:223002,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCCCC1,ZRHXTEJWTRQVTL-UHFFFAOYSA-M
-rxn:5:194058:225607:223008,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ccc2F)s1)N1CCCCC1,NDOAHDXDPYMICC-UHFFFAOYSA-M
-rxn:5:194058:225607:225435,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccccc2CN2CCCCC2)s1)N1CCCCC1,YWPANJYSQRKOAY-UHFFFAOYSA-M
-rxn:5:194058:225607:225591,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(CN3CCCC3)ccc2F)s1)N1CCCCC1,KXTUTMMSKQFXQT-UHFFFAOYSA-M
-rxn:5:194058:225607:225593,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(CN3CCCC3)c2)s1)N1CCCCC1,AUUIBDJGWYTFKH-UHFFFAOYSA-M
-rxn:5:194058:225607:225631,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)cc2)s1)N1CCCCC1,GYAONVJKQOROQD-UHFFFAOYSA-M
-rxn:5:194058:225607:225637,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCCCC1,VXMIPSRSAIEJGL-UHFFFAOYSA-M
-rxn:5:194058:225607:226662,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCCCC1,MAUIQZBWBDADCI-UHFFFAOYSA-M
-rxn:5:194058:225631:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)cc2)s1)N1CCCCC1,SFLZQUNWCNHKMF-UHFFFAOYSA-M
-rxn:5:194058:225637:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCCCC1,LMXMIXDNSXAZCO-UHFFFAOYSA-M
-rxn:5:194058:225666:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCOCC1,ODPUPSBSCOARJQ-UHFFFAOYSA-M
-rxn:5:194058:225679:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,SHKYKZFMLLTOPO-UHFFFAOYSA-M
-rxn:5:194058:225805:225465,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCOCC1,CBSVCNGZJJLLGV-UHFFFAOYSA-M
-rxn:5:194058:225805:225666,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCOCC1,WPTJDCVLWMBUTO-UHFFFAOYSA-M
-rxn:5:194058:226662:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCC(O)C1,QBKXQWYZNGPRFY-UHFFFAOYSA-M
-rxn:5:194058:226662:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCCCC1,KYAIGKDGJFQTJL-UHFFFAOYSA-M
-rxn:5:194398:226190:226197,O=C(c1ccc(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2CCCOC2)cc1)N1CC2CC2C1,NLTFYHOSRAGJNC-UHFFFAOYSA-N
-rxn:5:194522:226364:225985,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCCCC3)nc1)c2-c1cccc(N2CCCS2(=O)=O)c1,DHZDKSMGVMRXHD-UHFFFAOYSA-N
-rxn:5:194733:228138:228733,COc1cc(C)ncc1-c1ccc(-c2ccc(CC#N)c(F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,ZDSPJUUFTILGKO-UHFFFAOYSA-N
-rxn:5:194782:222415:228829,Cc1c(F)cc(-c2ccc(-c3ccc(F)c(S(N)(=O)=O)c3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1F,MIYHIDPDANXTPU-UHFFFAOYSA-N
-rxn:5:194782:222985:226180,Cc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc(C2CCCC2)n1,UYSIXHPYLXODCE-UHFFFAOYSA-N
-rxn:5:194791:225622:227969,Cc1nccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccccc5OC5CCCCO5)C(=O)C34)cc2)c1C1CC1,ABASEHGSULPMIF-UHFFFAOYSA-N
-rxn:5:194791:226867:223013,COC(=O)c1ccc2cc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6c(F)cccc6OC(F)(F)F)C(=O)C45)cc3)[nH]c2c1,PKOGGUKDVZYMEC-UHFFFAOYSA-N
-rxn:5:194792:229283:225584,O=C(c1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccncc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1)N1CCCC1,MHCSFCBJWYCOKN-UHFFFAOYSA-N
-rxn:5:196170:226662:225805,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCN(C)CC3)s2)cc1S(N)(=O)=O,GCEGWKSLDQAUMR-UHFFFAOYSA-N
-rxn:5:196198:225576:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(N2C(=O)C=CC2=O)ccc1-c1ccc(N2CCCC2)c(C#N)c1,HXNZLGULBRWLCW-UHFFFAOYSA-N
-rxn:5:196198:226441:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,YFKZATABCINNLH-UHFFFAOYSA-N
-rxn:5:196408:225653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCCCC3C)nc2)c1,HOAZIDXZBCOOMR-UHFFFAOYSA-N
-rxn:5:196408:225986:225395,CC(C)(C)c1cc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cc(C2CC2)c1,ZJGNKQUFMNAEIC-UHFFFAOYSA-N
-rxn:5:196408:225986:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,NEMVADRDPDXUDE-UHFFFAOYSA-N
-rxn:5:196533:225461:226842,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2C(=O)CC(c3cncc(C(=O)C(F)(F)F)c3)C2=O)cc1,ASYDOVJSWFMODD-UHFFFAOYSA-N
-rxn:5:196620:225986:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,SDTSIEJDBZBRBM-UHFFFAOYSA-N
-rxn:5:196789:225834:226679,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cnc(N2CCCC2)cc1F,KXDSTANMRLVWGS-UHFFFAOYSA-N
-rxn:5:196791:225834:226366,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1,SXEHNWQSGVANNM-UHFFFAOYSA-N
-rxn:5:196791:225978:223006,O=C1COCCN1c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1ccc(F)c(C2CCNCC2)c1,YMKCOHMJZSHREC-UHFFFAOYSA-N
-rxn:5:196792:223065:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(N3CCOCC3=O)c2)c(C)c1,MNSHAIWVNJESSN-UHFFFAOYSA-N
-rxn:5:196794:226190:225985,O=C1COCCN1c1cc(-c2ccc(C3CCCC3)cc2F)ccc1-c1cccc(N2CCCS2(=O)=O)c1,SPIKLXDUIHLJPE-UHFFFAOYSA-N
-rxn:5:196858:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccncc1C1CCCNC1,MJJKHNWXPBZGBW-UHFFFAOYSA-N
-rxn:5:196858:226794:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnc(N2CCSCC2)nc1,LLMMVJXHURYAAO-UHFFFAOYSA-N
-rxn:5:196869:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cccnc2C2CCCCC2)c1,FZEYDLTUEQZBNZ-UHFFFAOYSA-N
-rxn:5:196916:226172:225986,Cc1ccc(N2CCCC2)cc1-c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1N1CCCCC1=O,NPHLXJMLKMURFG-UHFFFAOYSA-N
-rxn:5:196916:226366:225986,O=C1CCCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccnc(N2CCCCC2)c1,MSTBPFCJLSXJHK-UHFFFAOYSA-N
-rxn:5:196916:226366:225987,O=C1CCCCN1c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1-c1ccnc(N2CCCCC2)c1,VKKWHKOMXUUSHP-UHFFFAOYSA-N
-rxn:5:196916:226371:225931,Cc1cc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3C)c2)cc(S(=O)(=O)N(C)C)c1,AYSXXLBXSCRYEP-UHFFFAOYSA-N
-rxn:5:196916:226374:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cncnc2C2CCCCC2)c1,NEVGANPTVDDJSC-UHFFFAOYSA-N
-rxn:5:196917:223065:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCNCC3)cc2F)=N1,NKIZLKRXIXJRDY-UHFFFAOYSA-N
-rxn:5:196917:225833:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,CIIBGDPXBJKRHF-UHFFFAOYSA-N
-rxn:5:196917:225980:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cc(N3CCOCC3)ncc2F)=N1,PGCMCMMXTMMNGH-UHFFFAOYSA-N
-rxn:5:196917:225985:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,NFOVLIMFISZGGN-UHFFFAOYSA-N
-rxn:5:196917:225985:226422,CC1(C)COC(c2cc(-c3cc(F)ccc3N3CCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RZTWGTWZYDBAAQ-UHFFFAOYSA-N
-rxn:5:196917:225985:226431,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)c(F)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DRUIZHVRLRLXNL-UHFFFAOYSA-N
-rxn:5:196917:225985:226441,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)cc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,UCCUWPSSOKRERN-UHFFFAOYSA-N
-rxn:5:196917:225987:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,MOCWLMVCUPLTQF-UHFFFAOYSA-N
-rxn:5:196917:225987:226664,CC1(C)COC(c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,WPYJJNONPLZZSY-UHFFFAOYSA-N
-rxn:5:196917:226159:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cccc(N3CCCCC3)c2)=N1,FXMUXTNNIBCCOI-UHFFFAOYSA-N
-rxn:5:196917:226180:225985,Cc1cc(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C2=NC(C)(C)CO2)cc(C2CCCC2)n1,QAFFNHPKCXBBSK-UHFFFAOYSA-N
-rxn:5:196917:226182:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cccnc2C2CCCCC2)=N1,NTVFTNSSFRACQD-UHFFFAOYSA-N
-rxn:5:196917:226183:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnccc2C2CCCCC2)=N1,QAOBAHIGQCTDPS-UHFFFAOYSA-N
-rxn:5:196917:226189:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(C3CCCC3)c(F)c2)=N1,QYACOCDPMQOBOG-UHFFFAOYSA-N
-rxn:5:196917:226190:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccc(C3CCCC3)cc2F)=N1,QIHPNCNLVMVJMN-UHFFFAOYSA-N
-rxn:5:196917:226366:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCCC3)c2)=N1,NYWLFMGGICCTPH-UHFFFAOYSA-N
-rxn:5:196917:226431:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCC3)c(F)c2)=N1,AWBXTTFKUGFDDI-UHFFFAOYSA-N
-rxn:5:196917:226664:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cc(N3CCCC3)ncc2F)=N1,AGLNJQWZKFHEKF-UHFFFAOYSA-N
-rxn:5:196918:226159:225985,O=C1CCCCN1c1cccc(-c2cccc(N3CCCCC3)c2)c1-c1cccc(N2CCCS2(=O)=O)c1,FZNRZLNRAWEGBY-UHFFFAOYSA-N
-rxn:5:196918:226164:225985,O=C1CCCCN1c1cccc(-c2ccc(N3CCCCC3)cc2)c1-c1cccc(N2CCCS2(=O)=O)c1,IYRDQYMMDQXDTB-UHFFFAOYSA-N
-rxn:5:196919:225985:226412,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(F)cc(N3CCCC3)c2)=N1,JSCVATGLZACIRX-UHFFFAOYSA-N
-rxn:5:196919:225985:226431,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCC3)c(F)c2)=N1,XTGHOLIOQQFZSR-UHFFFAOYSA-N
-rxn:5:196919:225986:226664,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cc(N3CCCC3)ncc2F)=N1,PXQLGZHWLWGJKZ-UHFFFAOYSA-N
-rxn:5:196919:225987:225834,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cc(N3CCCCC3)ncc2F)=N1,YZYQUSUUGVDFSI-UHFFFAOYSA-N
-rxn:5:196919:225987:226664,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cc(N3CCCC3)ncc2F)=N1,NCSYPTOKAXEHCZ-UHFFFAOYSA-N
-rxn:5:196919:226137:225986,CC(C)c1ncc(C2CC2)cc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,APLZQNMINDDPMD-UHFFFAOYSA-N
-rxn:5:196919:226150:225985,CC1(C)COC(c2ccc(-c3cccc(SC4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RRKKMNMZUVMYKN-UHFFFAOYSA-N
-rxn:5:196919:226176:225926,CC1(C)COC(c2ccc(-c3ccncc3C3CCCCC3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,LZYDFAZFWOJVGC-UHFFFAOYSA-N
-rxn:5:196919:226190:225985,CC1(C)COC(c2ccc(-c3ccc(C4CCCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,GNAHEPZXIWCDKB-UHFFFAOYSA-N
-rxn:5:196919:226190:225986,CC1(C)COC(c2ccc(-c3ccc(C4CCCC4)cc3F)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,MNLMMTKGEIOWKU-UHFFFAOYSA-N
-rxn:5:196919:226366:225985,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,OKMJDTGIZMTTKQ-UHFFFAOYSA-N
-rxn:5:196919:226371:225985,Cc1cc(N2CCCC2)ncc1-c1ccc(C2=NC(C)(C)CO2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,URUYLQBOACNUBG-UHFFFAOYSA-N
-rxn:5:196919:226422:225985,CC1(C)COC(c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HIPXONKNDJKAFD-UHFFFAOYSA-N
-rxn:5:196919:226431:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DMRWKYCGJASSKH-UHFFFAOYSA-N
-rxn:5:196919:226441:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,VTNCCFTWYVDKSL-UHFFFAOYSA-N
-rxn:5:196919:226658:225987,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,OHKJWAYOOUMBOF-UHFFFAOYSA-N
-rxn:5:196922:226159:225986,O=C1CCCCN1c1cc(-c2cccc(N3CCCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,YJMALEDWOVHNHB-UHFFFAOYSA-N
-rxn:5:196922:226164:225987,O=C1CCCCN1c1cc(-c2ccc(N3CCCCC3)cc2)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1,RAWWEDUATNTPLS-UHFFFAOYSA-N
-rxn:5:196922:226177:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccnc(C4CCCCC4)c3)cc(N3CCCCC3=O)c2)c1,RYEHZBOLHRBISW-UHFFFAOYSA-N
-rxn:5:196922:226182:225931,Cc1cc(-c2cc(-c3cccnc3C3CCCCC3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,VRFRIZGWKBJFCR-UHFFFAOYSA-N
-rxn:5:196922:226366:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,GIVOBCUJUAHASE-UHFFFAOYSA-N
-rxn:5:196923:226191:225985,O=C1CCCCN1c1ccc(-c2cc(C3CCCC3)ccc2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,FRYYBUJJVULLES-UHFFFAOYSA-N
-rxn:5:196969:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccccc1C1CNCCO1,ZOEQUAGOOJKGMU-UHFFFAOYSA-N
-rxn:5:196969:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,FJLDWXSFSAYRQS-UHFFFAOYSA-N
-rxn:5:196969:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccncc1C1CCCNC1,UHZSGINEDHUSCC-UHFFFAOYSA-N
-rxn:5:196970:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCS2(=O)=O)c1,XXTSKEOWBHNSJX-UHFFFAOYSA-N
-rxn:5:196977:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,KCJBVBVYANGWAB-UHFFFAOYSA-N
-rxn:5:196977:225985:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,ZNUVBRDSEBSZBP-UHFFFAOYSA-N
-rxn:5:196977:225985:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,DWZAALWTIIROCA-UHFFFAOYSA-N
-rxn:5:196978:225441:225926,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(N2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,VFNZRIFMZQELFQ-UHFFFAOYSA-N
-rxn:5:196978:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,UMHBPLSRIUDYBQ-UHFFFAOYSA-N
-rxn:5:196978:225985:225576,N#Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2N2CCCCC2)ccc1N1CCCC1,ICJYBONROKFHKQ-UHFFFAOYSA-N
-rxn:5:196979:225576:225985,N#Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)ccc1N1CCCC1,RGKYYRKGNLQXPX-UHFFFAOYSA-N
-rxn:5:196979:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(N2CCCCC2)c1,HDTPTSYQZIVPCW-UHFFFAOYSA-N
-rxn:5:196979:226330:225987,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(N3CCCCC3)c2)s1)N1CCCC1,KZHGAIPKVXCVPQ-UHFFFAOYSA-N
-rxn:5:197169:225871:223065,N#CC1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cccc(N4C(=O)C=CC4=O)c3)c2OC1,IBJYJMGJSBHJQH-UHFFFAOYSA-N
-rxn:5:197169:225986:225638,CC1CCN(c2ccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)cn2)CC1,OEOFYDGUGLBHNE-UHFFFAOYSA-N
-rxn:5:197526:223065:225641,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(N3CCNCC3)cc1F)c2-c1ccnc(N2CCCC(C)C2)c1,FTLWVWIQMDGFMZ-UHFFFAOYSA-N
-rxn:5:197526:223065:225674,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(N3CCNCC3)cc1F)c2-c1cnc(C2CCCCC2)cc1F,FPJVEWFMQLJLOR-UHFFFAOYSA-N
-rxn:5:197876:223008:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCNCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,WEBSDTHBGQMHEV-UHFFFAOYSA-N
-rxn:5:197876:223215:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)CC4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CVJXLBWUNBKXMC-UHFFFAOYSA-N
-rxn:5:197876:226741:228483,CC(C)(C)N1C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3F)c(-c3cc(C(F)(F)F)ccc3C#N)cc2S1(=O)=O,XRUCSSTZMXMOGT-UHFFFAOYSA-N
-rxn:5:197876:227311:227065,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(C(=O)C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,UIKRHCIUIAHRGN-UHFFFAOYSA-N
-rxn:5:197876:227408:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KJNYBIXNUYUUTP-UHFFFAOYSA-N
-rxn:5:197876:227409:225439,CC(c1cccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,PEZZSESKPXJNFF-UHFFFAOYSA-N
-rxn:5:227868:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc3c(c2)OCCC3)CCC(=O)CC1,VQQQNFVGMLPILE-UHFFFAOYSA-N
-rxn:5:227898:178295:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cncc(CC(C)C)c2)CCC(=O)CC1,QYXQCMGXVRZKCY-UHFFFAOYSA-N
-rxn:5:227903:178295:226926,CCN(C)c1cccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MDFLTIWTBRUJKN-UHFFFAOYSA-N
-rxn:5:227903:178295:227591,CCN(C)c1cccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LJNGEOXXZGDZQG-UHFFFAOYSA-N
-rxn:5:227907:178295:227591,CCC(C)c1cncc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XBHKKYXUMKCUOW-UHFFFAOYSA-N
-rxn:5:227909:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccnc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,APXBDDMWVXDTIY-UHFFFAOYSA-N
-rxn:5:227910:178295:227038,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VVEJAZLPWLMAHS-UHFFFAOYSA-N
-rxn:5:227914:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,PSPZLEDWMKYKDW-UHFFFAOYSA-N
-rxn:5:227920:178295:227353,CCC(=O)c1ccc(-c2ccc(-c3c(C)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,KTRGQVMGVZGGDQ-UHFFFAOYSA-N
-rxn:5:227921:178295:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2cccc(C(C)OC)c2)CCC(=O)CC1,JJNJAAJGZMARLF-UHFFFAOYSA-N
-rxn:5:227922:178295:226971,CCc1cc(OC)ccc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1C1(C(=O)OC)CCC(=O)CC1,VBQUGCGOJVBDHX-UHFFFAOYSA-N
-rxn:5:227922:178295:227060,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C)c(OC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,WIIYHYQVZTUYBV-UHFFFAOYSA-N
-rxn:5:227922:178295:227067,CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C2CC2)cc1C1(C(=O)OC)CCC(=O)CC1,WIXUOCNLNNSFMJ-UHFFFAOYSA-N
-rxn:5:227922:178295:227107,CCc1cc(OC)ccc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,UDTARXRYOCAPII-UHFFFAOYSA-N
-rxn:5:227926:178295:227523,COC(=O)c1cnc(C)cc1-c1ccc(-c2ccc(SC(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,LLFMODYVUWURTH-UHFFFAOYSA-N
-rxn:5:227937:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cccc(SC(C)C)c2)CCC(=O)CC1,YDUGAHOOEWSUSS-UHFFFAOYSA-N
-rxn:5:227940:178295:228346,CCc1cc(SC)cc(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LNSMIRLYWQRWGK-UHFFFAOYSA-N
-rxn:5:227942:178295:226907,CCc1ccc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,BVLMVYZIJGVVOO-UHFFFAOYSA-N
-rxn:5:227942:178295:227409,CCc1ccc(-c2ccc(-c3cc(C(C)(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,FOGDHACOQOMKHR-UHFFFAOYSA-N
-rxn:5:227953:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,WIRHPLIJXPLFIX-UHFFFAOYSA-N
-rxn:5:227964:178295:227029,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C#N)ccc2-c2cncc(C3(C)CC3)c2)CCC(=O)CC1,RDHVCSUHKOQOFT-UHFFFAOYSA-N
-rxn:5:227966:178295:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2cccnc2C(C)(C)C)CCC(=O)CC1,CJZQPRBSXJGBRO-UHFFFAOYSA-N
-rxn:5:227976:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,GFKUYWLHWHEAEM-UHFFFAOYSA-N
-rxn:5:227999:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,WANFTBAICQCDOR-UHFFFAOYSA-N
-rxn:5:228000:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cc(C)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,NQTZAMYAGJQWAB-UHFFFAOYSA-N
-rxn:4:173283:222583,CCOC(=S)SCC(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,HKLXONWHQUFWPD-UHFFFAOYSA-N
-rxn:4:173303:222583,CCOC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,PZBVEUQOZXPUJM-UHFFFAOYSA-N
-rxn:4:173306:222583,CCOC(=O)C(=O)CC(=O)c1cccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1,SDACGVSNBJQUGS-UHFFFAOYSA-N
-rxn:4:173333:223809,CCCCOc1cc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)ccc1OC(F)(F)F,GIWZWVGFQDNICV-UHFFFAOYSA-N
-rxn:4:173474:222389,CCOC(=O)c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OCc2ccccc2)c1Cl,ZDYRDZNJJVGQMD-UHFFFAOYSA-N
-rxn:4:173502:222540,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,HYVZMBHOBIZZNF-UHFFFAOYSA-N
-rxn:4:173578:222583,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1,ITDNOUXUQKJETJ-UHFFFAOYSA-N
-rxn:4:173579:222583,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)c1,DTBHOBRPFVUFPN-UHFFFAOYSA-N
-rxn:4:173580:222583,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)cc1,VYZYTGMLRSKCRC-UHFFFAOYSA-N
-rxn:4:173596:222581,COc1ccc(OC)c(-c2ccc(S(=O)(=O)NC(C)C)c3ccccc23)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,HLJLDGTXIIQWRJ-UHFFFAOYSA-N
-rxn:4:173609:222583,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c(OC(C)=O)cc12,JTKSXIMAMBCVIH-UHFFFAOYSA-N
-rxn:4:173614:222583,CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)cc12,BAYWGTPCIRGGLQ-UHFFFAOYSA-N
-rxn:4:173614:223960,CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCN(CC)CC5)c4)cc3)cc12,LECBKORCQZBHNZ-UHFFFAOYSA-N
-rxn:4:173634:222583,CCOC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1OS(=O)(=O)c1ccc2ccccc2c1,RCASYUNDPBXTIW-UHFFFAOYSA-N
-rxn:4:173645:222740,COc1cc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc2cc(C(=O)OC(C)C(=O)c3ccc(F)cc3)c(=O)oc12,PETZDTXCHIEPIL-UHFFFAOYSA-N
-rxn:4:173655:222424,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c1)C2=O,YNHDQFGUBKJBMN-UHFFFAOYSA-N
-rxn:4:173656:222908,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cncc(NC(=O)OC(C)(C)C)c3)cc1)C2=O,JIKAYKSWAHLVIV-UHFFFAOYSA-N
-rxn:4:173657:222424,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c1)C2=O,LJJSREZOOHZKHI-UHFFFAOYSA-N
-rxn:4:173659:222583,Cc1oc2ccc(OC(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)cc2c1C(=O)OC(C)C,YVZPGOWCWUPGFW-UHFFFAOYSA-N
-rxn:4:173659:222633,Cc1oc2ccc(OC(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)cc2c1C(=O)OC(C)C,GCFHGHPRTRDFIQ-UHFFFAOYSA-N
-rxn:4:173684:222540,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)C2=O,SXKPCZWBCMEZHT-UHFFFAOYSA-N
-rxn:4:173686:222684,Cc1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,KUEYTVDJGPUZPN-UHFFFAOYSA-N
-rxn:4:173688:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4C=C4Oc5cc(OCC(=O)OC(C)(C)C)ccc5C4=O)c3)cccc12,KXBVYLORKIMQPI-UHFFFAOYSA-N
-rxn:4:173692:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)Oc4ccc5c(=O)c(Oc6cccc(C)c6)c(C(F)(F)F)oc5c4)c3)ccc2F)CC1,KAMUYBICPJKGAB-UHFFFAOYSA-N
-rxn:4:173700:222424,COc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,RDKQVRVSTMCRJA-UHFFFAOYSA-N
-rxn:4:173701:222583,Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)Oc2ccc3ccccc3c2)c(C)cc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,DVTSQBUCWXXKQK-UHFFFAOYSA-N
-rxn:4:173702:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(=O)COc3ccc4c(c3)OC(=Cc3ccc(C(C)C)cc3)C4=O)cc2)c1,JDGSYHTZPHXMDA-UHFFFAOYSA-N
-rxn:4:173723:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,KCSIIVTYOYUAHG-UHFFFAOYSA-N
-rxn:4:173723:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,SNACBNKIHHPMOS-UHFFFAOYSA-N
-rxn:4:173723:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)cc1,DSKXRNNOFHVGNX-UHFFFAOYSA-N
-rxn:4:173723:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,KOZGEDJJNXURLI-UHFFFAOYSA-N
-rxn:4:173723:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,XYTYNEUMMQYMDP-UHFFFAOYSA-N
-rxn:4:173723:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,JQHYIVWSHOCFQE-UHFFFAOYSA-N
-rxn:4:173723:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,JJMQDYDLDQFAAP-UHFFFAOYSA-N
-rxn:4:173723:224101,CC1CCN(CCOc2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,ZGKMXAXNYJESFS-UHFFFAOYSA-N
-rxn:4:173723:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OC,ZHSNMTSODZOEIZ-UHFFFAOYSA-N
-rxn:4:173723:224619,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1,TVZGODKVLXLLGQ-UHFFFAOYSA-N
-rxn:4:173723:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,JPFYYOZAGHIKFM-UHFFFAOYSA-N
-rxn:4:173763:222583,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,AXQIAZIGCIJUND-UHFFFAOYSA-N
-rxn:4:173787:224291,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccc(OCCN2CCOCC2)c(F)c1,OZNGVNWNCJMZMI-UHFFFAOYSA-N
-rxn:4:173802:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,MKVRSHAULRTNNV-UHFFFAOYSA-N
-rxn:4:173802:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,MUUKIZAEXARYCT-UHFFFAOYSA-N
-rxn:4:173802:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,AGAAUMIAJDCHMK-UHFFFAOYSA-N
-rxn:4:173802:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C)c1,LTBDTHBHJAKSPJ-UHFFFAOYSA-N
-rxn:4:173802:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,ACPSUJLNMSVPBW-UHFFFAOYSA-N
-rxn:4:173802:223065,O=S(=O)(OC(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,MWXNWGGQPWWOBI-UHFFFAOYSA-N
-rxn:4:173802:223077,O=S(=O)(NC1CC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,VLPUIKNEQCJTPL-UHFFFAOYSA-N
-rxn:4:173802:223520,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BPGSMEYWWOFYDO-UHFFFAOYSA-N
-rxn:4:173802:223607,O=S(=O)(OC(c1ccc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,HWUFOOWUTAJHIM-UHFFFAOYSA-N
-rxn:4:173802:223608,O=S(=O)(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC(F)(F)F)N1CCOCC1,VUKLBLRVGQOBRB-UHFFFAOYSA-N
-rxn:4:173802:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2c1,QOUUQDPCLCDKDI-UHFFFAOYSA-N
-rxn:4:173802:224176,O=S(=O)(OC(c1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,RMMBADQRHPZCSH-UHFFFAOYSA-N
-rxn:4:173802:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1F,HBPDVFGKENPEJW-UHFFFAOYSA-N
-rxn:4:173802:224403,O=S(=O)(OC(c1ccc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,UFKNCMMBOYQZPB-UHFFFAOYSA-N
-rxn:4:173802:224502,CN1CCCCC1COc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,MKBZIVFKWXWDST-UHFFFAOYSA-N
-rxn:4:173802:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)C1,YJTMPNOROBHPEW-UHFFFAOYSA-N
-rxn:4:173802:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,ZTCLBNOLRQRSAE-UHFFFAOYSA-N
-rxn:4:173802:224677,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl)N1CCCCC1,LHAWGRJANNPXTD-UHFFFAOYSA-N
-rxn:4:173802:224689,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c1)N1CCCCC1,FZODQMXDYIYWTE-UHFFFAOYSA-N
-rxn:4:173802:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,AZVBKABELKGLPU-UHFFFAOYSA-N
-rxn:4:173802:224758,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1Cl)N1CCOCC1,AZAMUFZQYRDCCV-UHFFFAOYSA-N
-rxn:4:173802:224817,O=S(=O)(c1ccccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1,AVMRKIBLJNXIQK-UHFFFAOYSA-N
-rxn:4:173802:224877,O=S(=O)(OC(c1ccc(-c2ccc(COC3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,KKFHOPOBOVYBHL-UHFFFAOYSA-N
-rxn:4:173802:224882,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,ATUCHDGLVZBNDN-UHFFFAOYSA-N
-rxn:4:173802:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,ZOVBDPIZTTVOEL-UHFFFAOYSA-N
-rxn:4:173802:224999,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCOCC1,PPRQLFCLEGDZSK-UHFFFAOYSA-N
-rxn:4:173802:225118,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC(C)C,NCZCMGDGIINLAA-UHFFFAOYSA-N
-rxn:4:173802:225318,O=S(=O)(OC(c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,RJOGWCTUAKWTPS-UHFFFAOYSA-N
-rxn:4:173802:225520,CCCCOC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,DQMACYSJUSUSGI-UHFFFAOYSA-N
-rxn:4:173802:225812,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c(OC(C)C)c1F,JAACAUCLPWNJLV-UHFFFAOYSA-N
-rxn:4:173802:225882,O=S(=O)(OC(c1ccc(-c2cnc(Cl)c(C3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,ZURUYGFFAPWWRI-UHFFFAOYSA-N
-rxn:4:173802:226662,CN1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)s2)CC1,QFBAGQPGVCCVMJ-UHFFFAOYSA-N
-rxn:4:173853:222583,CCOC(=O)CC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1F,OVHLFDLAOQRTMS-UHFFFAOYSA-N
-rxn:4:173881:223559,CC(=O)CCCSc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,MLXALGRTWNJNQX-UHFFFAOYSA-N
-rxn:4:174009:222637,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1,DVTIAXLWNIVYRS-UHFFFAOYSA-N
-rxn:4:174011:223992,CCOC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(OCC)c(F)c1F,LCXHTZAWLFMRKA-UHFFFAOYSA-N
-rxn:4:174071:223902,CC(C)COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cc1OC(F)(F)F,YZOWRJVXNGUVKA-UHFFFAOYSA-N
-rxn:4:174100:222545,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,FZFBXVLJZIHVLJ-UHFFFAOYSA-N
-rxn:4:174180:223842,CCOC(=O)c1cc(-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2)oc1C(F)(F)F,DLVFVDQAMPNTGG-UHFFFAOYSA-N
-rxn:4:174247:223608,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,ZZUGYJYTQMKRNH-UHFFFAOYSA-N
-rxn:4:174306:222639,CCOC(=O)CC1CC(c2ccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc2)C1,JBLCKWTZWSWDEC-BHWOZTKKSA-N
-rxn:4:174372:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c(C(=O)OC)c3)cc2)CC1,PGGRXTADWMPSGB-UHFFFAOYSA-N
-rxn:4:174375:224426,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1cc(C2CCCCC2)cc(C2CC2)c1,XKPUUJAOKUVKFV-UHFFFAOYSA-N
-rxn:4:174406:223549,COC(=O)C1(c2ccc(-c3ccc(COc4c(C(C)C)cccc4C(C)C)cc3)cc2)CC(OC)(OC)C1,YGZZHJHDPQLWSS-UHFFFAOYSA-N
-rxn:4:174489:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4C(=O)CCCC4OCC(C)(C)CO4)c3)cccc12,VVMYEDPERAZZGV-UHFFFAOYSA-N
-rxn:4:174502:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(OC)OC)cc(C(C)(C)C)c3OC)cc2)CC1,KSRQTSONCFXPSP-MEMLXQNLSA-N
-rxn:4:174518:222907,CC(C)[Si](Oc1ccc(F)c(-c2ccncc2NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,CNRHTUDWSOKUNM-UHFFFAOYSA-N
-rxn:4:174522:222787,CC(C)[Si](C#Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1)(C(C)C)C(C)C,RPLGEYCUHILTSB-UHFFFAOYSA-N
-rxn:4:174575:223776,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CCO3)C2=O,BOTPPORAOAYXOJ-UHFFFAOYSA-N
-rxn:4:174639:224612,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccc(OCCN5CCOCC5)cc4)cc2)C3=O)cc1,SLYQIAOCCMALLE-UHFFFAOYSA-N
-rxn:4:174656:223883,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,YZKCHUKLAFIVGW-UHFFFAOYSA-N
-rxn:4:174657:223239,COc1ccc(-c2cncc(C3CCCN3)c2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,XDXWWGALWWFBOF-UHFFFAOYSA-N
-rxn:4:174663:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(S(=O)(=O)OCC(=O)[C@H]5CC[C@H]6[C@@H]7CCC8=CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)cc4)c3)cccc12,JUQSDMWYQJHXEW-AZALKDOCSA-N
-rxn:4:174688:224612,O=C(c1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1OC(F)(F)F)C(F)(F)F,RNHPTKNYUXAYON-UHFFFAOYSA-N
-rxn:4:174729:223954,COC(=O)c1cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)ccc1OC(F)(F)F,XUOHTQNFQMIIPM-UHFFFAOYSA-N
-rxn:4:175211:223559,C#Cc1ccc(OCC(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,BLOQEGOWSLIZIQ-UHFFFAOYSA-N
-rxn:4:175556:224411,CN(C)S(=O)(=O)c1ccc(-c2c(OC[C@H]3CO3)ccc(F)c2C2OCCO2)c(C(F)(F)F)c1,LTIQCMZJTUKBFM-GFCCVEGCSA-N
-rxn:4:175628:223559,CC(=O)Oc1ccc(C(=O)c2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,XHPHNYHUEIPWJX-UHFFFAOYSA-N
-rxn:4:175917:222856,COC(=O)c1cc(-c2cc(C3CCNCC3)ccc2OC)c(OC2CCCCO2)cc1F,MPEMBJFNZYRVBJ-UHFFFAOYSA-N
-rxn:4:175933:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)c1,XWNASEDQNMQFDD-UHFFFAOYSA-N
-rxn:4:176094:223753,Cc1ccc(-c2ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,SHUXAEORKFSMMS-UHFFFAOYSA-N
-rxn:4:176094:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c3)cc2)CC1,PXYOEPAKGMLDJH-UHFFFAOYSA-N
-rxn:4:176121:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4F)c3)cc2)CC1,ZVTGSMCCMMECOL-UHFFFAOYSA-N
-rxn:4:176131:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c(C(F)(F)F)c1,MLXAEPIWOFMXNO-UHFFFAOYSA-N
-rxn:4:176181:223695,CC(C)(C)c1cc(Oc2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)cc(C(C)(C)C)c1,UIGLULJEDJHCSO-UHFFFAOYSA-N
-rxn:4:176207:224063,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)ccc2O1,XVMQZLGEBNZVII-COTLDPOVSA-N
-rxn:4:176236:222637,CC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1)C2=O,WKCONBIXDWXPCB-UHFFFAOYSA-N
-rxn:4:176237:223559,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc1)C2=O,HTCMNINKHBFOAP-UHFFFAOYSA-N
-rxn:4:176261:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C=C2Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1,SIEDOTLAOPTKBF-UHFFFAOYSA-N
-rxn:4:176287:224009,COc1ccc(-c2ccccc2C=C2Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1S(=O)(=O)N1CCOCC1,ATWFUWMBOXWIFU-UHFFFAOYSA-N
-rxn:4:176701:223755,COC(=O)c1ccc(C(F)(F)F)c(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1,AGGNLHTXLROHTO-UHFFFAOYSA-N
-rxn:4:178296:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C4(C(=O)OC)CCC(=O)CC4)ccc3F)cc2)CC1,PYNOGXFCPYRHPY-MEMLXQNLSA-N
-rxn:4:178296:224847,COC(=O)C1(c2ccc(F)c(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c2)CCC(=O)CC1,ICWMQHMMYZRCJH-UHFFFAOYSA-N
-rxn:4:178327:223569,COC(=O)C1(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)CCCCC1,WMVRCQKNIDCIJU-UHFFFAOYSA-N
-rxn:4:178327:224191,COC(=O)C1(c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3OC)cc2)CCCCC1,XGNGAKILXZXZRJ-UHFFFAOYSA-N
-rxn:4:178330:224420,COC(=O)C1(c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)CC2(C1)OCCO2,LQRLVSCOBSIRDW-UHFFFAOYSA-N
-rxn:4:178384:227362,CCOc1cc(C)cc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WETMAJNPNZUOGE-UHFFFAOYSA-N
-rxn:4:178384:228908,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,YAGOPAUCLRMQLG-UHFFFAOYSA-N
-rxn:4:178384:229109,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)n1,XBWKMPMAPZELEY-UHFFFAOYSA-N
-rxn:4:178384:229248,Cc1cnn(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YPKKNJLQNPFHIR-UHFFFAOYSA-N
-rxn:4:178509:223635,COC(=O)C1(c2ccc3cc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3c2)CC1,SMCODCSSVOTVGD-UHFFFAOYSA-N
-rxn:4:178754:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(Cl)ccc3C(=O)C(F)(F)F)c2)CC1,MCLYCWLIAMVJFX-UHFFFAOYSA-N
-rxn:4:178935:223693,COC(=O)c1c(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc(F)c(F)c1F,FRCSPROCSZPWGY-UHFFFAOYSA-N
-rxn:4:179276:223698,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1C(=O)C(F)(F)F,LFLDYZKAKVITDY-UHFFFAOYSA-N
-rxn:4:179307:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(C(C)=O)c3Cl)c2)C1,LVFFAOKWPSBBJW-UHFFFAOYSA-N
-rxn:4:179897:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3C3OCCO3)c(F)c2)CC1,WRPDBONLKDVJPI-UHFFFAOYSA-N
-rxn:4:180128:223712,COc1ccc(-c2ccc(OC3CCCC3)c(F)c2F)cc1C12CC3CC(CC(C3)C1)C2,KNAPUNXIYURSLX-UHFFFAOYSA-N
-rxn:4:180414:222583,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C(=O)O1,BAYJSUZAUCQARK-UHFFFAOYSA-N
-rxn:4:180414:222633,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C(=O)O1,UEQXTVFKMREZEN-UHFFFAOYSA-N
-rxn:4:180430:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)C3CCCCC3)cc2)cc1,RPAWJQAWGKCLIZ-UHFFFAOYSA-N
-rxn:4:180509:222424,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,LXPNMFVMSATBLX-UHFFFAOYSA-N
-rxn:4:180538:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4sc(C(=O)C(F)(F)F)cc4c3)c2)CC1,PONVDUKVIPNHHZ-UHFFFAOYSA-N
-rxn:4:180610:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)CC(C(=O)C(F)(F)F)C3=O)cc1,OAQACVCXSZLYSF-UHFFFAOYSA-N
-rxn:4:180611:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)cc1,AZTMKZQAFOSGPE-UHFFFAOYSA-N
-rxn:4:180662:222466,COC(=O)C1=Cc2cc(Cl)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2OC1,VEOHMZCRJLFVRI-UHFFFAOYSA-N
-rxn:4:180682:222540,COC(=O)C1OCc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2C1=O,FSHWWKLPURCWSH-UHFFFAOYSA-N
-rxn:4:180708:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc2c1CCCC2=O,WTVAHCOMPZYKDU-UHFFFAOYSA-N
-rxn:4:180721:223559,COC(=O)C1(C)CCc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc21,XFLFIWWDWNEDLF-UHFFFAOYSA-N
-rxn:4:180766:223559,COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)C2=O,VDNFPMMTPPPQIE-UHFFFAOYSA-N
-rxn:4:180792:225109,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC(=O)OC(C)(C)C)c3)cc1C2=O,SGWSSYLNNDRHRR-UHFFFAOYSA-N
-rxn:4:180855:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc2C1,BFBNHWIEIYETNR-UHFFFAOYSA-N
-rxn:4:180856:223922,CN(C(=O)c1cc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)ccc1Cl)C1CCCCC1,HABQEKGEXKXFGT-UHFFFAOYSA-N
-rxn:4:181631:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C4CC(=O)C4)c(F)c3)c2)CC1,CRSAIOMFHRWPAI-UHFFFAOYSA-N
-rxn:4:182293:223598,COc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc(C)c2c1CCC2,AIFGZOKQGZSKAP-UHFFFAOYSA-N
-rxn:4:182372:224420,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1C2=O,PCRTWDFUNUWYQC-SLEJYSNSSA-N
-rxn:4:182396:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,INTYPDNNLRILCJ-UHFFFAOYSA-N
-rxn:4:182410:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4CC(=O)c5c(C)cc6oc(=O)c(C)c(C)c6c5O4)cc3)cc2)CC1,NHAORAAPIGJUBI-UHFFFAOYSA-N
-rxn:4:182416:222583,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,IHRCRXAPIPNRHE-UHFFFAOYSA-N
-rxn:4:183269:222447,COc1ccc2c(c1-c1cc3c(cc1C)C(C)(C)C=CC3(C)C)N=C(NC(=O)OC(C)(C)C)C2,OAZJZZVZYUMBSP-UHFFFAOYSA-N
-rxn:4:183271:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)OCCOCCOCCOCCO5)c3)cccc12,MLZRKGFPSQJVCL-UHFFFAOYSA-N
-rxn:4:183272:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCO2,MZYFOELDBATMFY-UHFFFAOYSA-N
-rxn:4:183273:222965,CCCC(=O)NCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VCWYHCZXHVQHOQ-UHFFFAOYSA-N
-rxn:4:183274:229170,Cc1nc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,INLKCWSBJUDSAA-UHFFFAOYSA-N
-rxn:4:183471:222583,CCOC(=O)COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-],NXESRVPYFDHZPI-UHFFFAOYSA-N
-rxn:4:183482:222540,CCOC(=O)C(=O)Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1[N+](=O)[O-],HUUDGSWBRPTJQX-UHFFFAOYSA-N
-rxn:4:183483:222583,CCOC(=O)CC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc([N+](=O)[O-])c1,CQYDSHGRIAZAST-UHFFFAOYSA-N
-rxn:4:183548:224394,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,SQLBBPSQHLGIQV-UHFFFAOYSA-N
-rxn:4:183665:223687,COC(=O)C(Oc1ccc([N+](=O)[O-])cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C(C)C,IWFOKQVTTRNOMD-UHFFFAOYSA-N
-rxn:4:183668:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1,QINMRUJABKYXHK-UHFFFAOYSA-N
-rxn:4:183668:224842,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1,JZZIVTVAWQTXBT-UHFFFAOYSA-N
-rxn:4:183671:223958,CCN1CCN(C(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3S(=O)(=O)N(CC)CC)cc2F)CC1,JSJQSIXJUINPQV-UHFFFAOYSA-N
-rxn:4:183729:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,SLYOKQALMRHKAT-UHFFFAOYSA-N
-rxn:4:183732:223239,FC1(F)CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cncc(C3CCCN3)c2)C1,SBLMZNIVQPKVBP-UHFFFAOYSA-N
-rxn:4:183751:222684,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)SC1=S,OGRLYPJUSNBJNU-UHFFFAOYSA-N
-rxn:4:183753:222583,COC(=O)CN(c1cccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1)S(=O)(=O)c1ccccc1,GAYQHXGFSXXYPV-UHFFFAOYSA-N
-rxn:4:183770:226093,CC(C)CCSc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)cc1,NCPALIRPYLVSDT-UHFFFAOYSA-N
-rxn:4:183799:222424,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,JXQGVCQPKZJRHJ-UHFFFAOYSA-N
-rxn:4:183805:222583,CCOc1ccc(C=C(C#N)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cc1OC,DYSVYHHMTDKVOK-UHFFFAOYSA-N
-rxn:4:183824:222583,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1Cl)C1CC1,WHUQXMFSCMXOGO-UHFFFAOYSA-N
-rxn:4:183863:222424,COC(=O)CN1CCCC(COc2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)C1,LVRDJOBHZAQIBR-UHFFFAOYSA-N
-rxn:4:183865:224420,COC(=O)CN1CCCC(COc2ccccc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1,OXRXIOCHYPGEEZ-UHFFFAOYSA-N
-rxn:4:183873:222424,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,XSFJBLYWUYSTKU-UHFFFAOYSA-N
-rxn:4:183875:222583,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2Cl)C1,UXZSFFXIPRCLSX-UHFFFAOYSA-N
-rxn:4:183886:222826,O=S(=O)(c1cccc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)c1)N1CCNCC1,PXYSLXUMJRNPNJ-UHFFFAOYSA-N
-rxn:4:183892:225827,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccnc(N3CCN(C)CC3)c2)c1,DEPVMBWOYNLDSV-UHFFFAOYSA-N
-rxn:4:183910:222424,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,KBDFUHCJXYPWLJ-UHFFFAOYSA-N
-rxn:4:183913:225894,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cccc(COCC(F)(F)F)c1,VGNYMXLNNPPGJG-UHFFFAOYSA-N
-rxn:4:183923:222855,COc1cc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)c1,FAEVANUDKQMONJ-UHFFFAOYSA-N
-rxn:4:183923:225221,CC1CCCN(c2cc(-c3ccc(OCC(=O)N(c4ccccc4)C4C=CS(=O)(=O)C4)cc3)c(F)cn2)C1,BCTPBHGRMDALAJ-UHFFFAOYSA-N
-rxn:4:183932:224017,Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)ccc1CN(C(=O)OC(C)(C)C)C1CC1,DXSOBGMWUJUZTE-UHFFFAOYSA-N
-rxn:4:183940:222583,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1)c1ccccc1,REIUTWHUECLJCC-UHFFFAOYSA-N
-rxn:4:183948:222684,N#Cc1ccc(Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(COC3CCCCO3)c2)cc1,BZERPJSEOUPKHA-UHFFFAOYSA-N
-rxn:4:183963:226844,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccnc(C(=O)C(F)(F)F)c1,ULMSVZXAFZAOMW-UHFFFAOYSA-N
-rxn:4:183964:222424,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,PKMRHHVMZNNFDN-UHFFFAOYSA-N
-rxn:4:183997:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCCC1,QBPUYNJHMJBJJA-UHFFFAOYSA-N
-rxn:4:184011:223061,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cc(C2CCNCC2)ncc1F,WHLIJEJDVDZRGX-UHFFFAOYSA-N
-rxn:4:184011:226844,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ACNVICIEPFNBMC-UHFFFAOYSA-N
-rxn:4:184017:226859,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OC(F)(F)F)cc3Cl)cc2)CC1,IJRPPCUJUPXOST-UHFFFAOYSA-N
-rxn:4:184027:224651,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)cc2F)CC1,XDCKFWLWBHCUFT-UHFFFAOYSA-N
-rxn:4:184034:225770,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3c(F)cc(OCC4CC4)cc3F)c(C)cc2OC)CC1,JGHSZPAVYCLAPX-UHFFFAOYSA-N
-rxn:4:184034:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2OC)CC1,GJOZJGDLHRSCAM-UHFFFAOYSA-N
-rxn:4:184041:222804,O=C(c1cccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)c1)N1CCC(COCc2ccc(F)cc2)CC1,VSABJQVIHVXYLZ-UHFFFAOYSA-N
-rxn:4:184046:222999,COc1cccc(C(=O)N(Cc2cccc(-c3cc(Cl)cc(C4CCCNC4)c3)c2)C2CCS(=O)(=O)C2)c1,FTYORTMTDNEEJS-UHFFFAOYSA-N
-rxn:4:184046:223506,COc1cccc(C(=O)N(Cc2cccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C2CCS(=O)(=O)C2)c1,SBXNYRSIGOCLPI-UHFFFAOYSA-N
-rxn:4:184056:226844,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QQJXIQQJPGPIKA-UHFFFAOYSA-N
-rxn:4:184070:228107,CCC(C)c1ncncc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(C)c1,BZWKVWVYELSOLM-UHFFFAOYSA-N
-rxn:4:184089:224197,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N(Cc4ccc(OC)cc4)C4CCCCC4)cc3)cc2F)CC1,KQUBUPOCIOWAQP-UHFFFAOYSA-N
-rxn:4:184094:226250,CCCCOc1ccc(Cl)c(-c2ccccc2C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)c1,SXNHXXDIGFLQFE-UHFFFAOYSA-N
-rxn:4:184095:223279,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,QFIMPHJHIHQUHG-FKHAVUOCSA-N
-rxn:4:184096:223746,COC(=O)c1ccc(C#Cc2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)cc1,DFDMJCLSZBQOQM-UHFFFAOYSA-N
-rxn:4:184096:229012,CC(C)c1ccsc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,MVRNEHLSLCJAPC-UHFFFAOYSA-N
-rxn:4:184158:224159,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)cc1)C2=O,TYPUQJYNDUSOKF-UHFFFAOYSA-N
-rxn:4:184175:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)C(=O)N4Cc3ccc(OCCC(C)C)cc3)c2)CC1,OWUCMKGGFKUOKU-UHFFFAOYSA-N
-rxn:4:184181:224420,Cc1cc2c(cc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc13)C(C)(C)CCC2(C)C,KMVQJQWATLEFPW-UHFFFAOYSA-N
-rxn:4:184189:227312,CCC(C)c1ccc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)c(F)n1,IQTMRSAWIOCLQS-UHFFFAOYSA-N
-rxn:4:184230:224756,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cc(F)ccc4C(=O)N4CCOCC4)ccc(c23)C1=O,QURRCQJYNGWXSB-UHFFFAOYSA-N
-rxn:4:184231:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)c(C4c5c(oc6ccccc6c5=O)C(=O)N4CCCOC)c3)c2)CC1,BGKNVTFFRYMPLI-UHFFFAOYSA-N
-rxn:4:184244:224612,O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,OOARDBKITVRCFW-UHFFFAOYSA-N
-rxn:4:184248:224403,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cnc(N4CCOCC4)c(C(F)(F)F)c2)c1)N(CCCOC(C)C)C3=O,UEKBAAAKMOWWCR-UHFFFAOYSA-N
-rxn:4:184328:223785,CCOC(=O)CC(=O)c1ncccc1-c1ccc(OCCN2CCN(CC)CC2)c(Cl)c1,SSAWGMYPJPPHLS-UHFFFAOYSA-N
-rxn:4:184459:224773,COC(=O)Cc1cc(C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)cc1C#N,FRMLDUAQLZTEAU-UHFFFAOYSA-N
-rxn:4:184460:224736,COC(=O)Cc1c(C#N)cc(-c2ccc(C(F)(F)F)cc2OCC(C)C)cc1C(F)(F)F,QNXRYJXYYLIUJH-UHFFFAOYSA-N
-rxn:4:184495:223649,CCOC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)cc1C#N,RBBNPXXEVOFFLR-UHFFFAOYSA-N
-rxn:4:184515:223526,CCOc1cc(C#N)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1OC(C)=O,AKYRDZCTRQWQOT-UHFFFAOYSA-N
-rxn:4:184721:223939,CCOc1cc(C(=O)N(C)OC)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,LONAPFPHIZNPLA-UHFFFAOYSA-N
-rxn:4:184829:223809,CCOc1cc(C(=O)N(C)CC)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,JZOROTZMBUGWOK-UHFFFAOYSA-N
-rxn:4:184845:225052,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1cc(F)cc(N2CCCCC2C)c1,RBPGUFWGXXABFN-UHFFFAOYSA-N
-rxn:4:184882:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(CC(=O)N2CCCC2)c(OC(F)(F)F)c1,JMSYZEHSFDFXRW-UHFFFAOYSA-N
-rxn:4:184891:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1,FYTCOPNAQMNMIR-UHFFFAOYSA-N
-rxn:4:184894:222424,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)SC1=S,GMLVZNWKDHMFAU-UHFFFAOYSA-N
-rxn:4:184929:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)N4CCOCC4)c3)cc2)CC1,GWFMVGZKDTULCM-UHFFFAOYSA-N
-rxn:4:184930:225640,CC1CCCCN1c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccn1,QZTSGPZRFPKGEA-UHFFFAOYSA-N
-rxn:4:184943:222635,CCN(CC)C(=O)C1(c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)CC1,VBQQCJVFUQUZPO-IBGZPJMESA-N
-rxn:4:184955:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCCCN4CCOCC4)c(Cl)c3)c2)CC1,PSFWKVJMKPJMPT-UHFFFAOYSA-N
-rxn:4:184962:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CC(S(=O)(=O)CC(C)C)C4)o3)c2)CC1,PJCAXKHDBJXTAK-UHFFFAOYSA-N
-rxn:4:184969:224078,CC(C)Oc1cc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)ccc1C(=O)ON1C(=O)CCC1=O,JLOFFXVFFFRJBV-UHFFFAOYSA-N
-rxn:4:184987:222808,CC(C)COc1cc(-c2cc(C(=O)NC(C)C)cc([N+](=O)[O-])c2)ccc1C(=O)N1CCC1,KCALEVSUNYJBRF-UHFFFAOYSA-N
-rxn:4:185023:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCC2CCCCC2)cc1S(=O)(=O)NC1CCCCC1,LKAPZFLECJRSIC-UHFFFAOYSA-N
-rxn:4:185049:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(OCCN5CCCC(C(F)(F)F)C5)cc4)c3)cccc12,VEFJGEMMTCMEQO-UHFFFAOYSA-N
-rxn:4:185108:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,BKCROWIJEVVGRD-UHFFFAOYSA-N
-rxn:4:185113:224801,CCCOc1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc(C(F)(F)F)c1F,IGIZOCKANRGINK-UHFFFAOYSA-N
-rxn:4:185133:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,BMADSSMYNZMXFN-UHFFFAOYSA-N
-rxn:4:185145:225304,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cnc3C(C)(C)C)cc2)C1,HBUGJGINTNKBHN-UHFFFAOYSA-N
-rxn:4:185156:225061,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)cc2F)ccc1CN1CCC(C(F)(F)F)CC1,ZLWPLEIDRJHNPM-UHFFFAOYSA-N
-rxn:4:185163:222439,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc(C(F)(F)F)c2)C1,HJWVLDHKPWWMQN-UHFFFAOYSA-N
-rxn:4:185164:223049,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(C(=O)NC4CC4)cc3F)c(C(F)(F)F)c2)C1,DPQNXYIRDZDTSK-UHFFFAOYSA-N
-rxn:4:185194:222916,CCCOc1ccc(-c2cccc(C(=O)NC3=NCCS3)c2)cc1S(=O)(=O)N1CCCCC1,OCFIKLIFBWCRJJ-UHFFFAOYSA-N
-rxn:4:185209:226508,CCOc1cccc(-c2ccc(OCC3CC3)nc2F)c1CN1CCC(C(F)(F)F)CC1,KOLCIPLCSKZNDT-UHFFFAOYSA-N
-rxn:4:185225:226792,COc1cc(-c2cnc(N3CCOCC3)nc2)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,LMSXGLJQZAMNHU-UHFFFAOYSA-N
-rxn:4:185229:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)C1,IONNXBVZBBGZMI-UHFFFAOYSA-N
-rxn:4:185246:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(CC5C(=O)CCN5C(=O)OC(C)(C)C)c4)c3)cccc12,OYBYQEIWHGVYDX-UHFFFAOYSA-N
-rxn:4:185255:222624,COc1ccccc1C(=O)N(c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,QQABAKSPJRORRJ-UHFFFAOYSA-N
-rxn:4:185260:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)s1,BYOKNCLLXBUNGW-UHFFFAOYSA-N
-rxn:4:185263:224842,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1ccc2c(c1)C(C)(C)CCC2(C)C,NLKCSPZVKARWMI-UHFFFAOYSA-N
-rxn:4:185267:226243,CCOC(=O)Cc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)c2)cc1,AYRYTOHZFJXHBV-UHFFFAOYSA-N
-rxn:4:185310:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(SC5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)cccc12,JWRUTYHYGXTOAS-UHFFFAOYSA-N
-rxn:4:185310:226059,CC(C)c1ccc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(C)C)c1,ZCZCTIUMKPMMLA-UHFFFAOYSA-N
-rxn:4:185314:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(OC5CCCN(C(=O)OC(C)(C)C)C5)c4)c3)cccc12,HQAWEYSGAVSEPG-UHFFFAOYSA-N
-rxn:4:185329:222703,O=C(OCc1ccccc1)c1ccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)cc1N1CCCCC1,VQBMILTXUODREO-UHFFFAOYSA-N
-rxn:4:185355:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,AUYNSJZVUAMKDJ-UHFFFAOYSA-N
-rxn:4:185356:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(F)c(C(=O)C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)cccc12,ODDIJTKQMQFVFF-UHFFFAOYSA-N
-rxn:4:185364:222424,CC(C)N1C(=O)C(=Cc2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc2OCc2ccc(Cl)cc2)SC1=S,CPHFEYDVYAGVLO-UHFFFAOYSA-N
-rxn:4:185371:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)cccc12,BBSIIBAZNISSOF-UHFFFAOYSA-N
-rxn:4:185374:225723,CN(C)CCOc1ccc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)cc1Cl,FCAYQAJRIYOTQJ-UHFFFAOYSA-N
-rxn:4:185375:223965,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1,NTKXNTONLBWBEH-UHFFFAOYSA-N
-rxn:4:185377:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,FLZFWKZEEMXRKU-UHFFFAOYSA-N
-rxn:4:185383:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,NQMVXALSDVDJQY-UHFFFAOYSA-N
-rxn:4:185384:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CCCN(C(=O)OC(C)(C)C)C1,IBVMSHTYAGJZMW-UHFFFAOYSA-N
-rxn:4:185398:222424,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,GNNFKUKELHBWJH-UHFFFAOYSA-N
-rxn:4:185402:225226,CCCOc1ccc(-c2cc(N3CCC(C)CC3)ncc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,AWJOYEHCBMCXTK-UHFFFAOYSA-N
-rxn:4:185413:227322,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cncc(C(C)C)c1OC,SSWRSUSUOKDJGU-UHFFFAOYSA-N
-rxn:4:185417:224612,CC(C)c1ccc(N(C(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C2C=CS(=O)(=O)C2)cc1,ZBKBDHUMENMZPR-UHFFFAOYSA-N
-rxn:4:185433:224429,CC(C)COc1ccc2cc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2c1,DKDWRQXGBLAONM-UHFFFAOYSA-N
-rxn:4:185437:226844,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OUYRGIJKLVJHEO-UHFFFAOYSA-N
-rxn:4:185527:223810,COc1ccc(CCC(=O)N2C3C=CCC2CC3)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,SMHXTWMTSCXWJA-UHFFFAOYSA-N
-rxn:4:185535:227232,COC(=O)[C@@H]1Cc2ccc(-c3cccnc3OCC3CC3)cc2CN1C(=O)OC(C)(C)C,COKCBSLNXTUPEG-NRFANRHFSA-N
-rxn:4:185547:224612,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3oc2=O)CC1,PJNAMPYTWQOPKJ-UHFFFAOYSA-N
-rxn:4:185567:223099,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cccc(NC(=O)C(F)(F)F)c1,KBTABNJZYLEIDB-UHFFFAOYSA-N
-rxn:4:185578:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(-c5c(C(F)(F)F)oc6cc(OC(=O)N7CCOCC7)ccc6c5=O)cc4)c3)cccc12,SNVUQJOYXCYXIK-UHFFFAOYSA-N
-rxn:4:185613:226890,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1cc(F)c(C(F)(F)F)cc1Cl,XZJKPIFNBWDLBI-UHFFFAOYSA-N
-rxn:4:185619:222621,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)c3)C3CCS(=O)(=O)C3)oc2c1,DPZLOMUKGJUEHS-UHFFFAOYSA-N
-rxn:4:185636:224398,Cc1cc(F)c(-c2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2)cc1S(=O)(=O)N1CCCC1,GITMZNNULIBZOT-UHFFFAOYSA-N
-rxn:4:185696:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C#N)c3OCC(F)(F)F)cc2)CC1,OLPMOFWXQGDDHK-UHFFFAOYSA-N
-rxn:4:185895:224196,CCN1CCN(Cc2cc(F)cc(-c3c(C(=O)OC)ccc(C(F)(F)F)c3C#N)c2)CC1,NAZDKXAUUNIVHJ-UHFFFAOYSA-N
-rxn:4:185942:223559,COC(=O)CCc1ccncc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,PUIZGCVATGMECG-UHFFFAOYSA-N
-rxn:4:186071:223482,CCOC(=O)c1ccc(OC)nc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CEXXKHSTIJZCLS-UHFFFAOYSA-N
-rxn:4:186133:222524,Cc1cc([N+](=O)[O-])cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1OS(=O)(=O)C(F)(F)F,ZGXUGBMQGVZESA-UHFFFAOYSA-N
-rxn:4:186368:222537,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1OC,HBOZTTNKTLNUOD-UHFFFAOYSA-N
-rxn:4:186368:223526,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC,PNADRIKCFVMVNM-UHFFFAOYSA-N
-rxn:4:186368:223748,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1OC,MBKPWCLFVBIIDH-UHFFFAOYSA-N
-rxn:4:186616:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc([N+](=O)[O-])c3)cc2)CC1,ZMDYKYIKYYDHQS-UHFFFAOYSA-N
-rxn:4:186629:222648,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(NC(=O)OC(C)(C)C)c(C)cc1C,PZGQOGAXVKTAMO-UHFFFAOYSA-N
-rxn:4:186629:222708,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)NC(=O)CC(C)C)cc1,YQSHJRVSAFCFSL-UHFFFAOYSA-N
-rxn:4:186683:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=N)(=O)CC4CC4)c3)cc2)CC1,KYGIQSFGWSOBJK-UHFFFAOYSA-N
-rxn:4:186685:223895,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OCCN2CCN(CC)CC2)cc1,VJMFIVSDIQZLRG-UHFFFAOYSA-N
-rxn:4:186736:222432,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c(CN2CC(F)(F)C2)c1,FWYQQYLXBAQIRB-UHFFFAOYSA-N
-rxn:4:186749:222424,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)SC1=S,HCLVTNVBNQEJOO-UHFFFAOYSA-N
-rxn:4:186825:223638,COc1cccc(S(=O)(=O)c2cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc2[N+](=O)[O-])c1,UPVFPDJIBMSTJP-UHFFFAOYSA-N
-rxn:4:186890:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccc(S(=O)CC(=O)N3CCOCC3)cc2)c1,LZGWRMHOTUPERH-UHFFFAOYSA-N
-rxn:4:186970:224243,COC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)cc1,UZHBAVUPXNQQFI-LUTIACGYSA-N
-rxn:4:187081:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])cc(F)c1OCC1CCCCC1,VSHBOAUQDMCWPT-UHFFFAOYSA-N
-rxn:4:187085:222784,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OC3CCN(CC(F)(F)F)CC3)cc2)cc1F,ULTKTQSBWFLFJF-UHFFFAOYSA-N
-rxn:4:187095:223753,Cc1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCOC(C)C3)c2)cc1OCCCN1CCN(C)CC1,FWNVWLSVYRSCPN-UHFFFAOYSA-N
-rxn:4:187142:222424,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)SC1=S,BWSDAMWLVJJWLO-UHFFFAOYSA-N
-rxn:4:187148:224751,O=C(Cc1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,RYYYOHLKFQHEQC-UHFFFAOYSA-N
-rxn:4:187149:224615,O=C(Cc1ccc(-c2cccc(OCCN3CCOCC3)c2)c(F)c1)N1CCC(C(F)(F)F)CC1,HOJWJMFIWMFDSL-UHFFFAOYSA-N
-rxn:4:187192:222635,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)cc1,PDZMZWXZPXITKE-JXQFQVJHSA-N
-rxn:4:187196:224653,COc1cc(-c2ccc(Cl)cc2OCC2CCCCO2)cc(OC)c1CN1CCOCC1,RJUOYJVVZQFYHR-UHFFFAOYSA-N
-rxn:4:187197:224404,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1CN1CCCCC1,ZPYDRYUFMKATPG-UHFFFAOYSA-N
-rxn:4:187203:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(Cl)ccc2C2CN(C(=O)OC(C)(C)C)C2)c1,VXZMAVWXGZLUOE-UHFFFAOYSA-N
-rxn:4:187209:224462,COC(=O)C1CCN(Cc2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2F)CC1,QEMJNZIYJIKRQJ-UHFFFAOYSA-N
-rxn:4:187212:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cc2Cl)CC1,QGHUWDMJPCWRSH-UHFFFAOYSA-N
-rxn:4:187213:222705,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)cc2F)C1,JOGUCSSPLMXSOI-UHFFFAOYSA-N
-rxn:4:187216:225123,COC(=O)c1cc(CN2CCC(F)CC2)cc(-c2ccncc2OCC2CCCCO2)c1,ZDTFHPQYORCZDR-UHFFFAOYSA-N
-rxn:4:187226:222465,CC(C)C(=O)N(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)C1C=CS(=O)(=O)C1,HZEUAGDLYBFHKE-UHFFFAOYSA-N
-rxn:4:187252:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(F)c(CCN2CCC(C(F)(F)F)CC2)c1,RJQPLTHYJMFFSZ-UHFFFAOYSA-N
-rxn:4:187343:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)c3ccccc3CN3CC=CC3)c(F)c2)CC1,DKQDEQQRQJRGSH-UHFFFAOYSA-N
-rxn:4:187348:223895,CCN1CCN(CCOc2ccc(-c3ccccc3Oc3ccc(C(=O)N4CCC(F)(F)C4)cc3)cc2)CC1,JYFJDQXGYYNRBN-UHFFFAOYSA-N
-rxn:4:187351:223753,Cc1ccc(-c2ccc(S(=O)(=O)c3nc(-c4ccc(F)cc4)oc3S(C)(=O)=O)cc2)cc1OCCCN1CCN(C)CC1,FJHJGQOBEIUYOG-UHFFFAOYSA-N
-rxn:4:187374:224593,CC1CCN(Cc2cc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)ccc2F)CC1,CJELRUPDFMNEHY-UHFFFAOYSA-N
-rxn:4:187405:222803,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YREBCZGUHCFDEV-UHFFFAOYSA-N
-rxn:4:187405:222912,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(S(=O)(=O)NCC(C)C)cc1,OKVFQCIURQFLFF-UHFFFAOYSA-N
-rxn:4:187427:223840,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1CN1CCCC(C)C1,RFDRUMAZWWVDPQ-UHFFFAOYSA-N
-rxn:4:187449:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCCC5)cc4)cc3)c(F)cc2C)CC1,WBEIRHXGGCKTHW-UHFFFAOYSA-N
-rxn:4:187462:223755,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)cc1,HLBREXARTCDNLW-UHFFFAOYSA-N
-rxn:4:187483:222693,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(OC)c1,BVUIZHGUIALWFE-UHFFFAOYSA-N
-rxn:4:187485:226003,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc([N+](=O)[O-])ccc1C(=O)OC,LDZJKZRJHPTEHL-UHFFFAOYSA-N
-rxn:4:187490:223008,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(C2CCNCC2)ccc1F,PRXJYLRIJPCNEC-UHFFFAOYSA-N
-rxn:4:187501:226034,COc1c(Cl)cc(-c2cccc(OC(C)C)c2CN2CCCC(F)(F)C2)cc1C(F)(F)F,ZGFFLBGJLIHRJA-UHFFFAOYSA-N
-rxn:4:187510:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCOCC5)cc4)cc3)c(F)cc2C)CC1,LRDBXZMSFWJFFI-UHFFFAOYSA-N
-rxn:4:187538:223060,O=C(c1cc(-c2cc(Cl)nc(C3CCNCC3)c2)ccc1Cl)N1CCOC(c2ccc(C(F)(F)F)cc2)C1,YFYUVQGARSLAOZ-UHFFFAOYSA-N
-rxn:4:187541:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC2CCN(C)CC2)cc1OC(C)C,DOUIORLTFLWSGK-UHFFFAOYSA-N
-rxn:4:187542:224589,COc1cc(-c2ccc(F)cc2CN2CCC(C)CC2)cc(OC)c1CN1CCC(C)CC1,BWGRWQDOQNSFQU-UHFFFAOYSA-N
-rxn:4:187548:224763,CCN(C(=O)c1cc(C)cc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c1)C1CCCCC1,LDNLXPCKQQFGIH-UHFFFAOYSA-N
-rxn:4:187553:226256,CCCCOc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(OCC)c1,OCVOSURMTFASBB-UHFFFAOYSA-N
-rxn:4:187554:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(C(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)c3)cnc21,DDEGXYRSNSUADF-UHFFFAOYSA-N
-rxn:4:187554:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)c3)cc2)CC1,NFRMDRNZQQNZLH-UHFFFAOYSA-N
-rxn:4:187558:226860,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)ccc3OC(F)(F)F)cc2)C(=O)C1,LKDLYZUOGNMVLK-UHFFFAOYSA-N
-rxn:4:187574:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,OEZSHIXILPSGCM-UHFFFAOYSA-N
-rxn:4:187578:226831,CCCn1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c(C(F)(F)F)n1,VWCIQIIUHMVBRV-UHFFFAOYSA-N
-rxn:4:187582:226844,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,KMEHIYXGMVMJCT-UHFFFAOYSA-N
-rxn:4:187588:225308,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)cc2)CC1,JUUPAKJLPBAMRI-UHFFFAOYSA-N
-rxn:4:187590:223835,Cc1cc(F)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,KPXUAMHBXPHPAF-UHFFFAOYSA-N
-rxn:4:187613:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(S(=O)(=O)c5ccccc5)CC4)c3)cc2)CC1,YPPSSRJKFFVLAV-UHFFFAOYSA-N
-rxn:4:187615:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,PEEJBSIWVOJCIV-UHFFFAOYSA-N
-rxn:4:187640:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)cc2)CC1,IFBUAYBAAORTNG-UHFFFAOYSA-N
-rxn:4:187659:226254,CCCOc1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OC,JOVSGRJKTDQBJE-UHFFFAOYSA-N
-rxn:4:187669:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5(C)CCCN(C(=O)OC(C)(C)C)C5)cc4)c3)cccc12,YWQWHCKPFLCMBR-UHFFFAOYSA-N
-rxn:4:187682:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(C(=O)c5ccc(CN6CCC7(CC6)OCCO7)cc5)c4)c3)cccc12,NEFKTXDDIZMPFQ-UHFFFAOYSA-N
-rxn:4:187688:225801,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccnc(OC3CCCC3)c2Cl)c(F)c1,FZZQHCWMHPSTLK-UHFFFAOYSA-N
-rxn:4:187847:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,GLIXJWQDLQVGDD-UHFFFAOYSA-N
-rxn:4:187911:222424,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,NCGWUUVWXLDNBU-UHFFFAOYSA-N
-rxn:4:187916:224904,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C(=O)C2CCCCC2)cc1,LMOVUNXNIKDKBR-UHFFFAOYSA-N
-rxn:4:187945:226062,COC(=O)C1=Cc2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2N(CC(C)C)CCC1,HWXOEEPWSPPQIN-UHFFFAOYSA-N
-rxn:4:187961:223884,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1)CC(C)(C)CC2=O,NNCZCHUKPVSTSV-UHFFFAOYSA-N
-rxn:4:187971:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)c1,JKUXTRZAGHLYBE-UHFFFAOYSA-N
-rxn:4:187981:224612,Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)c3ccccc3C2=O)cc1,IMEFQRBZBYBVOJ-UHFFFAOYSA-N
-rxn:4:187990:222424,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1,AGKZYRALRDHGSQ-UHFFFAOYSA-N
-rxn:4:187991:222424,CC1CCC2C(=O)N(c3ccc(OC(=O)c4ccccc4-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)C(=O)C2C1,UKDSLALZSZHHHJ-UHFFFAOYSA-N
-rxn:4:187995:227807,CCc1cc(-c2cccc3c2CCCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,JVUJEKIJUIAVCK-UHFFFAOYSA-N
-rxn:4:187995:228503,CCc1cc(-c2ccc3c(c2)CCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,XLYSGAJXWRGGHQ-UHFFFAOYSA-N
-rxn:4:188002:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)Oc4ccc5c(c4C)OC(=Cc4cn(C)c6ccccc46)C5=O)cc3)c2)CC1,RZWRBYHMRUKCNJ-UHFFFAOYSA-N
-rxn:4:188457:223637,COC(=O)c1c(F)cc([N+](=O)[O-])cc1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,JACIUEFGUHVZCV-UHFFFAOYSA-N
-rxn:4:188683:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(N)(=O)=O)c(OC(F)(F)F)c3)c(F)cc2C)CC1,ZOUYCTLLZOTUAY-UHFFFAOYSA-N
-rxn:4:188742:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(C=C[N+](=O)[O-])c3)c(F)cc2C)CC1,PFCBTPOJGANHEV-UHFFFAOYSA-N
-rxn:4:189464:222655,O=C(NC1CCCCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CC(C(F)F)C2)cc1Cl,NACHDXYZUFIKMC-UHFFFAOYSA-N
-rxn:4:189517:224634,COc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)cc1CN1CCOCC1,TZYLMSOSPRODRK-UHFFFAOYSA-N
-rxn:4:189594:224198,CCN1CCN(Cc2ccc(-c3cc(C=C4N=C(SC)SC4=O)ccc3OC)c(F)c2)CC1,ODXZNZUCBWCVCE-UHFFFAOYSA-N
-rxn:4:189642:222466,CN(C)C(=O)C1(c2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,FAKLLQPIVNGVGR-UHFFFAOYSA-N
-rxn:4:189847:222740,CC(=O)N(c1ccc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc1)C1C=CS(=O)(=O)C1,ZIMPIKZHOIHRCE-UHFFFAOYSA-N
-rxn:4:190015:222647,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)c(NC(=O)OC(C)(C)C)cc1C,SJDZUJPJUISATE-UHFFFAOYSA-N
-rxn:4:190057:224407,O=C(Cc1ccc(F)cc1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1)N1CCCC(F)(F)C1,XZMJTDMLJOWORX-UHFFFAOYSA-N
-rxn:4:190228:222514,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,VLYNSQOCKLXIHR-UHFFFAOYSA-N
-rxn:4:190249:224904,O=C(c1ccc(-c2cccc(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1)C1CCCCC1,YZURGCONCBHEFN-UHFFFAOYSA-N
-rxn:4:190274:222729,CCCc1cc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)cc2OC)cc(C2CCCNC2)n1,KOIPZUPFHJEGOT-UHFFFAOYSA-N
-rxn:4:190297:222583,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C1=O,PMFREPBJHMBRAX-UHFFFAOYSA-N
-rxn:4:190298:222583,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)SC1=S,DOEYMFDTIGLTAF-UHFFFAOYSA-N
-rxn:4:190298:222633,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)SC1=S,MTQJTILDQZUWQX-UHFFFAOYSA-N
-rxn:4:190343:225220,CC1CCCCN1Cc1cc(C(F)(F)F)ccc1-c1cnc(N2CCCCC2C)c(Cl)c1,XLAHMJBEIDWEPB-UHFFFAOYSA-N
-rxn:4:190355:225952,Cc1nc(N2CCOCC2)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,NZALFMFKUQLPOZ-UHFFFAOYSA-N
-rxn:4:190392:222424,CC(C)C(=O)C1CCCN(c2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2F)C1=O,ZIZAPCKKEQMULU-UHFFFAOYSA-N
-rxn:4:190396:224366,CC(C)C(=O)C1CCCN(c2cccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)c2F)C1=O,KKQVVUCEHZPCAR-UHFFFAOYSA-N
-rxn:4:190406:222583,C[Si](C)(C)N(c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1)[Si](C)(C)C,DNQMOLUGELMRBW-UHFFFAOYSA-N
-rxn:4:190419:222583,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O,UCCFTZCWSOGYRO-UHFFFAOYSA-N
-rxn:4:190419:222633,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O,WSASGDOCJPQSNM-UHFFFAOYSA-N
-rxn:4:190425:224769,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1ccc(N2CCCC2)cc1C(F)(F)F,IMPFPWOJOHBNIC-UHFFFAOYSA-N
-rxn:4:190433:226366,Cc1cc(-c2ccnc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,ABEBNHRNPNBEJD-UHFFFAOYSA-N
-rxn:4:190433:227403,Cc1cc(-c2ccc(N3CCCCC3)s2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,YHIPVSSGNRYKNC-UHFFFAOYSA-N
-rxn:4:190441:222424,COc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,LODJPPLBZFGDSC-UHFFFAOYSA-N
-rxn:4:190443:222723,COc1cc(C)c(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1C,UFQXHSKLPWHRNE-UHFFFAOYSA-N
-rxn:4:190447:223891,Cc1cc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)ccc1N1CCCC(C(=O)C(C)C)C1=O,GOOONJLUDRIUPL-UHFFFAOYSA-N
-rxn:4:190447:225723,Cc1cc(-c2ccc(OCCN(C)C)c(Cl)c2)ccc1N1CCCC(C(=O)C(C)C)C1=O,ZIXTZTRDAOPRAM-UHFFFAOYSA-N
-rxn:4:190448:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2c(C)cccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,RUAFWYUHPCPCEO-UHFFFAOYSA-N
-rxn:4:190469:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(-c5ccc(C=C6SC(=S)N(C7CCS(=O)(=O)C7)C6=O)o5)c4)c3)cccc12,PSDOQELTLCAGFR-UHFFFAOYSA-N
-rxn:4:190469:223895,CCN1CCN(CCOc2ccc(-c3cccc(-c4ccc(C=C5SC(=S)N(C6CCS(=O)(=O)C6)C5=O)o4)c3)cc2)CC1,XFJPWIAPZTUVNB-UHFFFAOYSA-N
-rxn:4:190475:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,CIOVJALBKKJNIV-UHFFFAOYSA-N
-rxn:4:190485:224842,CC1(C)CCC(C)(C)c2cc(-c3cccc(C(=O)N4CCC(c5ccccc5F)S(=O)(=O)CC4)c3)ccc21,AISJCSVQSJONTD-UHFFFAOYSA-N
-rxn:4:190498:224688,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1ccc(CN2CCC(=O)CC2)c(Cl)c1,AGQHBWADUDUNLT-UHFFFAOYSA-N
-rxn:4:190634:222583,COCCN1C(=O)C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc21,UUOLTWJANDUUKR-UHFFFAOYSA-N
-rxn:4:190665:223559,COCCN1Cc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2C1=O,LWVAORLTBMSPGY-UHFFFAOYSA-N
-rxn:4:190690:223958,CCOC(=O)c1[nH]c2c(c1-c1ccc(C(=O)N3CCN(CC)CC3)c(F)c1)CCCC2=O,OFLIXFLUSWFRAW-UHFFFAOYSA-N
-rxn:4:190822:222751,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3=O)cc1NC(=O)OC(C)(C)C,RVBXZAADUAALHM-UHFFFAOYSA-N
-rxn:4:190829:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cc1F,LDRJVASTKWUQRY-UHFFFAOYSA-N
-rxn:4:190846:222684,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2C1,VWABALGLBHXPIS-UHFFFAOYSA-N
-rxn:4:190854:224401,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)cc2C1,ZRLWDCDPAPTCEU-UHFFFAOYSA-N
-rxn:4:190899:222758,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)ccc1NC(=O)OC(C)(C)C,BIBKLLHAZDIAOV-UHFFFAOYSA-N
-rxn:4:190932:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)CN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,RHHYCKMGWHEXPR-UHFFFAOYSA-N
-rxn:4:190945:224612,COC(=O)C1=CN(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2cc(F)ccc2S1(=O)=O,CFMBZMZXQLRCJJ-UHFFFAOYSA-N
-rxn:4:190951:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1,MQJUSKHHAYKHEA-UHFFFAOYSA-N
-rxn:4:190960:222782,Cc1cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)cnc1NC(=O)OC(C)(C)C,JSXBIQMHFDCLQB-UHFFFAOYSA-N
-rxn:4:190982:222583,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc21,NYHCQZVMVUGXNB-UHFFFAOYSA-N
-rxn:4:190982:224612,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc21,SSMFUIFRIQEZDP-UHFFFAOYSA-N
-rxn:4:191034:223882,Cc1cccc2c1cc(-c1ccc3c(c1)CCCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,LRLRAHZVLMBEEG-UHFFFAOYSA-N
-rxn:4:191036:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(C)N(C(=O)OC(C)(C)C)C3)cc1F,QNVZXSALHFTETH-UHFFFAOYSA-N
-rxn:4:191038:224398,Cc1cc(F)c(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C)cc1S(=O)(=O)N1CCCC1,AJCHJTGUPSBTIN-UHFFFAOYSA-N
-rxn:4:191039:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,DJGYMPSHEXTSKM-UHFFFAOYSA-N
-rxn:4:191057:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,KJGBAFHZYOQASM-UHFFFAOYSA-N
-rxn:4:191062:222931,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(Cl)c(N2CCCCC2O)c1,MXGUGYGYQFVIBP-UHFFFAOYSA-N
-rxn:4:191074:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)c4oc(=O)c(C(=O)N5CCCCC5C)cc4c3)cc2)CC1,VTDLGNZLDIXTDB-UHFFFAOYSA-N
-rxn:4:191076:222583,COc1cc(C)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1S(=O)(=O)N1c2ccccc2CC1C,SCYHODGTZXNKPN-UHFFFAOYSA-N
-rxn:4:191086:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(N3C=C(C(=O)c4ccc(Cl)cc4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,WPDHAALQCRYAQV-UHFFFAOYSA-N
-rxn:4:191087:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,KHYSTFGOMADPNY-UHFFFAOYSA-N
-rxn:4:191087:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,SLLBRFQZQBXZRC-UHFFFAOYSA-N
-rxn:4:191091:225431,CCOc1ccc(C(C)(C)C)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,VTRQVTJOUXMMJT-UHFFFAOYSA-N
-rxn:4:191092:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc1,KACOWUKDQSUDPP-UHFFFAOYSA-N
-rxn:4:191097:222583,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc21,RWOGKQPZQQUEKM-UHFFFAOYSA-N
-rxn:4:191097:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)c1,INWNWCLMUUPSOS-UHFFFAOYSA-N
-rxn:4:191097:226345,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)cc1C,WAADBPPKZDBVHA-UHFFFAOYSA-N
-rxn:4:191103:223181,CCNS(=O)(=O)c1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,YJNRZYUDFRQDOJ-UHFFFAOYSA-N
-rxn:4:191103:224846,CCC1CCC(c2ccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YQIPRTFPMDWQBN-UHFFFAOYSA-N
-rxn:4:191103:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,YKXWGHLZNHYWMZ-UHFFFAOYSA-N
-rxn:4:191105:227115,Cc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1C1CC1,GHGSZJCIKCIKBA-UHFFFAOYSA-N
-rxn:4:191111:222583,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)cc1,AQLBVEGTXBJTHI-UHFFFAOYSA-N
-rxn:4:191112:222583,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)c3ccccc3S2(=O)=O)cc1,CFHAKMCGGGODJW-UHFFFAOYSA-N
-rxn:4:191113:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccc(F)cc54)cc3)c2)CC1,CHEGUWCKHUJQKR-UHFFFAOYSA-N
-rxn:4:191114:222633,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)c3cc(F)ccc3S2(=O)=O)cc1,ZFZAJLDINWYCMM-UHFFFAOYSA-N
-rxn:4:191117:226724,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccc(OCC(F)(F)F)cc3)c12,SDHXVZAEFJBWTG-UHFFFAOYSA-N
-rxn:4:191118:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)c(Cl)c2)CC1,CDKIHJMHGRWBAX-UHFFFAOYSA-N
-rxn:4:191122:224612,COc1ccc(S(=O)(=O)N2c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3C(C)=CC2(C)C)cc1,STJNFRQYTFHSKU-UHFFFAOYSA-N
-rxn:4:191123:226098,CCCCOc1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1C,HQQALHOXRGJXDH-UHFFFAOYSA-N
-rxn:4:191126:226541,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1OC,BLVSVGYEOGBYBU-UHFFFAOYSA-N
-rxn:4:191132:222583,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)c(C)c1,VWYSSOAZIOCBRV-UHFFFAOYSA-N
-rxn:4:191133:222540,Cc1ccc(C(=O)C2=CN(c3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1,LLZWMYJEZPLJDD-UHFFFAOYSA-N
-rxn:4:191135:223846,Cc1cc(-c2cccc(C3(C)CC(C)(C)N(C(=O)c4ccccc4)c4ccccc43)c2)cc(C2CC3CCC2(C)C3(C)C)c1,PJAZBZKHBFKNKI-UHFFFAOYSA-N
-rxn:4:191137:222424,COc1ccc(N2C(=O)C3C(c4ccccc4-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MMHQEMPZJJACRG-UHFFFAOYSA-N
-rxn:4:191150:225898,CC(C)(C)OC(=O)N1C2CCC1c1cc(-c3cnn(CCN4CCOCC4)c3)ccc12,IKGHQOQLBJFFRH-UHFFFAOYSA-N
-rxn:4:191169:222583,COc1cccc2c1N(C(=O)c1ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc1)C(C)(C)c1ssc(=S)c1-2,MBOXSIBBDCNBRT-UHFFFAOYSA-N
-rxn:4:191172:224612,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)cc1c32,ZVSCWAQFLGMULH-UHFFFAOYSA-N
-rxn:4:191173:225833,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccnc(N6CCCCC6)c5F)c4)cc1c32,JUSJWGVHNQQMIT-UHFFFAOYSA-N
-rxn:4:191173:226438,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cnc(C6CCCC6)cc5F)c4)cc1c32,FNFIFZRYASESBA-UHFFFAOYSA-N
-rxn:4:191183:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(Cl)c2)N(CC2CCCO2)C4=O)cc1,YUKCKSYXFTUUDI-UHFFFAOYSA-N
-rxn:4:191195:224851,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C=Cc3ccccc3)cc1)c1c2CCC1,AYCLOMCZCKTMPO-UHFFFAOYSA-N
-rxn:4:191196:222583,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2ccc(C(=O)NCCN4CCOCC4)cc2)cc1)N(CC1CCCO1)C3=O,APTNNFGHCVOMSD-UHFFFAOYSA-N
-rxn:4:191204:222583,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc12,HFGMYPXYASEPJZ-UHFFFAOYSA-N
-rxn:4:191204:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C(C)(C)C)cc1,FWUKACGOPNVMHE-UHFFFAOYSA-N
-rxn:4:191205:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)C2c4sc(=O)n(Cc5ccccc5)c4SC(c4ccccc4)C2C(=O)O3)cc1,ICXGORNDXUVHBJ-UHFFFAOYSA-N
-rxn:4:192740:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CC=CCC3)o2)CC1,ACGKZKLVKUUTDS-UHFFFAOYSA-N
-rxn:4:192775:222583,CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)o2)SC1=S,FXKYYXPGOTZSTG-UHFFFAOYSA-N
-rxn:4:193124:224198,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(F)(F)C4)c3)c(F)c2)CC1,IAHFLSDCWMKQOD-UHFFFAOYSA-N
-rxn:4:193131:222583,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C=C1,LBTNVTYNQSQBQU-UHFFFAOYSA-N
-rxn:4:193281:223911,CCOC(=O)C1(c2ccc(-c3cc(F)c(C(=O)N4CCOCC4)c(Cl)c3)cc2)CCOCC1,DICIKLKQAKSOEX-UHFFFAOYSA-N
-rxn:4:193464:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4(C#N)CCCCC4)c(Cl)c3)cc2)CC1,NAGXSISWLKQFQL-UHFFFAOYSA-N
-rxn:4:193570:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1,YEYGLPYFUIKUBD-UHFFFAOYSA-N
-rxn:4:193645:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(F)(F)F)c(N3CCC(F)(F)CC3)c2)cc1,YCYCMHAWASGVNO-UHFFFAOYSA-N
-rxn:4:193708:222583,CN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)o2)SC1=S,NORNEGZSDZJJQB-UHFFFAOYSA-N
-rxn:4:193712:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)C(=Cc5ccc(F)cc5)SC4=S)cc3)cc2)CC1,WCCHTGBHITXCHW-UHFFFAOYSA-N
-rxn:4:193713:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4C(=O)C(=Cc5ccc(F)cc5)SC4=S)c3)cc2)CC1,UPQMEUJUBSDLQY-UHFFFAOYSA-N
-rxn:4:193754:223897,Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)c2Cl)cc1OCCCN1CCOCC1,NPKDXROPMDAVNI-UHFFFAOYSA-N
-rxn:4:193756:222583,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1Cl,BPNZHDFDXJWSJI-UHFFFAOYSA-N
-rxn:4:193775:224607,CC(C)(C)c1cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)ccc1N1C(=O)C=CC1=O,QZQKVZBAKMMPJF-UHFFFAOYSA-N
-rxn:4:193827:224317,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)cc2)CC1,ZNSAHQNYCIKLQP-UHFFFAOYSA-N
-rxn:4:193827:224378,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,GEQLNDXPWHXQLG-UHFFFAOYSA-N
-rxn:4:193829:224378,CC1CCCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)C1,YPVUWINGVPIFRP-UHFFFAOYSA-N
-rxn:4:193832:224378,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,WJGSLYGXBLZFBT-UHFFFAOYSA-N
-rxn:4:193836:224318,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,MFYSTSDFLAGIIG-UHFFFAOYSA-N
-rxn:4:193836:224349,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,HPWRGANCVXWPED-UHFFFAOYSA-N
-rxn:4:193836:224378,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,SEYCOCDIDIVUCK-UHFFFAOYSA-N
-rxn:4:193837:224350,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1,LNIDSJISDYDQKV-UHFFFAOYSA-N
-rxn:4:193837:224378,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,WQCSFPLADZORAG-UHFFFAOYSA-N
-rxn:4:193838:224378,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,BRGDYSYYQPVNDC-UHFFFAOYSA-N
-rxn:4:193840:224378,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)C1,IBAXDYCVKJURLW-UHFFFAOYSA-N
-rxn:4:193841:224378,CC1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)CC1,AFGDMYBYVBLHBN-UHFFFAOYSA-N
-rxn:4:193843:224350,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1,PNAQTUJKGFEOQP-UHFFFAOYSA-N
-rxn:4:193843:224378,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,MHGAQGZIICAVDD-UHFFFAOYSA-N
-rxn:4:193844:224350,Cc1cc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCCC2)c1,UYFDHMBHTKPMRN-UHFFFAOYSA-N
-rxn:4:193844:224378,Cc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCCC2)c1,PUWFOLISRVRXBW-UHFFFAOYSA-N
-rxn:4:193846:224378,Cc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc(C)c1S(=O)(=O)N1CCCC1,HCMXDJALAGPARM-UHFFFAOYSA-N
-rxn:4:193850:224319,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc(N2CCC(F)(F)CC2)c1,NFWJKLQBMLHKBD-UHFFFAOYSA-N
-rxn:4:193850:224320,CCc1cc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(N2CCC(F)(F)CC2)c1,ROQQNBVHACWXLM-UHFFFAOYSA-N
-rxn:4:193867:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(Cl)cc(C4(N5CCC(=O)CC5)CC4)c3)cn2)CC1,PMBIJVHLMSCDSY-UHFFFAOYSA-N
-rxn:4:193881:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,NFTBSJXESJOTRL-UHFFFAOYSA-N
-rxn:4:193881:222886,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCNCC3)cc2C#N)CC1,JVCHAFHIEWSVKS-UHFFFAOYSA-N
-rxn:4:193888:222886,Cc1cc(-c2ccc(N3CCNCC3)cc2C#N)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,FITAVGIVSASVBM-UHFFFAOYSA-N
-rxn:4:193924:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C)cc3C(=O)N3CCCCC3C)cc2)CC1,IWNZXKBBDDPDFV-UHFFFAOYSA-N
-rxn:4:193936:224757,CC1(C)OCC2(CO1)CN(C(=O)c1ccc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)o1)C2,UNKFXLKZNRHVTK-UHFFFAOYSA-N
-rxn:4:194275:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc4c(cc3C=C[N+](=O)[O-])OCCO4)ccc2Cl)CC1,SAPPMIVBAWHEAF-UHFFFAOYSA-N
-rxn:4:194441:223507,CC(C)CN1Cc2c(cccc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O,IOLDKCRUUGTYFO-UHFFFAOYSA-N
-rxn:4:194456:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc1S(=O)(=O)N1CCN(C)CC1,NYNKVBJQJDQTBZ-UHFFFAOYSA-N
-rxn:4:194572:222839,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(NCC2CCCCC2)nc1,GBFFTJOARRMAET-UHFFFAOYSA-N
-rxn:4:194572:224953,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(OCC2CCCCC2)nc1,QVDZWFSABOTZIN-UHFFFAOYSA-N
-rxn:4:194657:223499,Cc1ccc(S(=O)(=O)N2Cc3cccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2)cc1,MLAAORQJOAURLK-UHFFFAOYSA-N
-rxn:4:194736:224323,Cc1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC(C)C4)cc3c2)cc(C)c1S(=O)(=O)N1CCCC1,BOTMVIMROGQPRW-UHFFFAOYSA-N
-rxn:4:194738:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4Cc5cccc(OC)c5OC(C)C4=O)c3)cc2)CC1,DCYJSQLBEDIHKC-UHFFFAOYSA-N
-rxn:4:194750:226429,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(=C3CC3)C4)s2)C1,RLBMQPLPPHECIZ-UHFFFAOYSA-N
-rxn:4:194758:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)CCCC5N4CCC(C(F)(F)F)CC4)c3)cccc12,HCECVZMFILVDHV-UHFFFAOYSA-N
-rxn:4:194764:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)o3)c(F)c2)CC1,AAERDGOPVVSIPQ-UHFFFAOYSA-N
-rxn:4:194768:224649,COC1CCN(C2CCCc3cc(-c4cc(F)ccc4OCC4CCCCO4)ccc32)CC1,JPRLEEJIYFHYDQ-UHFFFAOYSA-N
-rxn:4:194768:225161,COC1CCN(C2CCCc3cc(-c4ccc(F)c(C(=O)N5CCCC5)c4)ccc32)CC1,APXYVJWYQPQZNJ-UHFFFAOYSA-N
-rxn:4:194774:223896,COc1cccc(-c2ccc(CN3CCCC(C)(C)C3)c3ccccc23)c1C(=O)N(C(C)C)C(C)C,RCVASTZCTGIGQB-UHFFFAOYSA-N
-rxn:4:194785:223009,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)cc3)CC2)Oc2ccccc21,KXFIMOHYDIEBDL-UHFFFAOYSA-N
-rxn:4:194785:225619,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4OC4CCCC4)cc3)CC2)Oc2ccccc21,BZYNSMGQCYBELA-UHFFFAOYSA-N
-rxn:4:194797:222997,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(Cl)cc4C4CCCNC4)C(=O)C23)cc1,JPJBBQCEUMUBFY-UHFFFAOYSA-N
-rxn:4:194801:222424,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,QGGZJJWKGJCMKL-UHFFFAOYSA-N
-rxn:4:194852:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)C4CC(C)(O5)N(C)C(=O)C4S(=O)(=O)c4ccccc4)c3)cccc12,ZIKFOHCEXOKREE-UHFFFAOYSA-N
-rxn:4:194852:222684,CN1C(=O)C(S(=O)(=O)c2ccccc2)C2CC1(C)Oc1ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc12,IMYRLVAGXXFWBW-UHFFFAOYSA-N
-rxn:4:194855:226874,Cc1ccc(S(=O)(=O)C2C(=O)N(C)C3(C)CC2c2cc(-c4c(Cl)cccc4OC(F)(F)F)ccc2O3)cc1,ZBTUZTNZIMQNDC-UHFFFAOYSA-N
-rxn:4:196925:223712,COc1ccc(-c2ccc(F)c(N3CCCCC3=O)c2)cc1C12CC3CC(CC(C3)C1)C2,VMPOEYUGEMNHEX-UHFFFAOYSA-N
-rxn:4:197011:223507,CC1C(=O)N(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)CS1=O,PKJBZISDFMFYMQ-UHFFFAOYSA-N
-rxn:4:197128:223482,N#Cc1c(F)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2c1OCC2,JMYCEYMNOGTLJC-UHFFFAOYSA-N
-rxn:4:197971:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc3c2CCC3N2CCCCC2C)c1,HUEXCHMGCOZZSJ-UHFFFAOYSA-N
-rxn:4:197975:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CCCC4N3CCCCC3)c2)CC1,MDYHHFQKTMUKLE-UHFFFAOYSA-N
-rxn:4:199145:223574,CN1C(=O)c2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2S1(=O)=O,DHCWTDJWRQAJHF-UHFFFAOYSA-N
-rxn:4:199452:224703,CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)c1,VUEKULSICYLOER-UHFFFAOYSA-N
-rxn:4:199525:226844,CCC(C(=O)OC(C)(C)C)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)n1,OVQBVSPNSFUWOB-UHFFFAOYSA-N
-rxn:4:199553:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(COc4cnn(C(=O)OC(C)(C)C)c4)cc3)cnc21,GLRISLVEXNBOSR-UHFFFAOYSA-N
-rxn:4:199570:225977,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1,KFDLJXYPQRSXKI-GOSISDBHSA-N
-rxn:4:199589:224842,CC(C)N(Cc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1)C(=O)OC(C)(C)C,IOPPTLFWGOHVBP-UHFFFAOYSA-N
-rxn:4:199621:222458,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2F)CC1,IASMBFDRXULHFJ-UHFFFAOYSA-N
-rxn:4:199622:222424,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)CC1,IPVISWITVKVWRQ-UHFFFAOYSA-N
-rxn:4:199660:222838,COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cc2)cc1,GTABGUZTEYSIKD-UHFFFAOYSA-N
-rxn:4:199669:227571,CCOc1cc(F)c(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)cc1Cl,VUOJFXZRKJSOIV-UHFFFAOYSA-N
-rxn:4:199712:226001,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(OC(F)(F)F)c(C#N)c1,XZIDJMZBOFUJBW-UHFFFAOYSA-N
-rxn:4:199714:224157,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cn2)CC1,WJKHLWKWXCDQBN-UHFFFAOYSA-N
-rxn:4:199730:224194,CCN1CCN(Cc2ccc(-c3cccnc3OC3CCN(C(=O)c4ccc(C(=O)OC)cc4)CC3)cc2Cl)CC1,UAKBVOILQKVHTE-UHFFFAOYSA-N
-rxn:4:199758:223184,C[Si](C)(C)CCOC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)CC1,QWOOTWRWQQSOSG-UHFFFAOYSA-N
-rxn:4:199764:227489,COC(=O)c1cc(-c2cnc(N(C)C)c(C#N)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,LVKDXTVCNOEOOW-UHFFFAOYSA-N
-rxn:4:199771:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UIINMYYFUBJGCD-UHFFFAOYSA-N
-rxn:4:199789:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccccc1CC(=O)N1CCC(COc2ccnc(C)c2)CC1,NQZYCPKXKWMOEW-UHFFFAOYSA-N
-rxn:4:199815:222927,COc1ccc(C(=O)N2CCN(Cc3ccc(-c4cnc(N5CCCCC5O)nc4C)cc3)CC2)cc1OC,HPYOXWCRRDRVTO-UHFFFAOYSA-N
-rxn:4:199829:226844,CC1CN(CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CCN1C(=O)OC(C)(C)C,WAPDXDVXUJTGBN-UHFFFAOYSA-N
-rxn:4:199834:226844,CC1CN(CCc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,BGULZDGCXCWOPV-UHFFFAOYSA-N
-rxn:4:199840:224989,CC(C)n1cc(-c2cccc(-c3ccc(C4CCCN4C(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)c2)cn1,ANVGWDHIEGLTAJ-UHFFFAOYSA-N
-rxn:4:199870:222808,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C(=O)NC(C)C)cc([N+](=O)[O-])c1,PNCPRHYTLNTTMW-UHFFFAOYSA-N
-rxn:4:199870:223048,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(=O)NC2CC2)c1F,SAJIUYBILITUNR-UHFFFAOYSA-N
-rxn:4:199870:223058,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(F)nc(C2CCCNC2)c1,CDNJHMBZWSLQAO-UHFFFAOYSA-N
-rxn:4:199879:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C(C)(C)C)c1,VVRQYACMFPTABV-VGOKPJQXSA-N
-rxn:4:199954:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N=c4sc5cc(S(C)(=O)=O)ccc5n4CC(=O)OC)cc3)c(F)c2)CC1,SZINYJGZTBKPOL-UHFFFAOYSA-N
-rxn:4:199968:222666,COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cccc(C(=O)Nc2ccccc2F)c1,LMELYNKPWQBWPX-UHFFFAOYSA-N
-rxn:4:199999:223075,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc2ccn1C(=O)OC(C)(C)C,HLCDWJKFEZCYJP-UHFFFAOYSA-N
-rxn:4:199999:223215,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc4c(c3)NC(=O)CC4)cc2ccn1C(=O)OC(C)(C)C,IXTWWEGXRPPCOU-UHFFFAOYSA-N
-rxn:4:200008:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)OCc4ccccc4)CC3)c2)c1,XFWBNEBGYKGVSQ-UHFFFAOYSA-N
-rxn:4:200009:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCC4)c4ccccc43)cc2)cc1,BJNGVCTVCCFPDJ-UHFFFAOYSA-N
-rxn:4:200013:222583,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc3OC)N2C1=O,GCFAHXYEXVDWPY-UHFFFAOYSA-N
-rxn:4:200014:225898,COc1ccc(-c2cnn(CCN3CCOCC3)c2)cc1C1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21,QIHOAYMXVHNWKQ-UHFFFAOYSA-N
-rxn:4:200016:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4CCc5c(OCC(=O)N6CCCC6)cccc5C4=O)cc3)c(F)c2)CC1,MAYMFCKUBYKRKP-UHFFFAOYSA-N
-rxn:4:200023:225369,COC(=O)c1cc(-c2ccc(CN3CCc4c(OCC(=O)N5CCOCC5)cccc4C3=O)cc2)c(Cl)c([N+](=O)[O-])c1,TVIRIPXIFRRHTK-UHFFFAOYSA-N
-rxn:4:200023:225723,CN(C)CCOc1ccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCOCC5)cccc4C3=O)cc2)cc1Cl,MGRKHWQJTNASSO-UHFFFAOYSA-N
-rxn:4:200029:222540,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c3ccccc23)CC1,GAJPFVZCRNESSY-UHFFFAOYSA-N
-rxn:4:200029:222583,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3ccccc23)CC1,OXPUDNXEGOJESQ-UHFFFAOYSA-N
-rxn:4:200039:223063,COc1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,BTHZSZYSGAWJIH-UHFFFAOYSA-N
-rxn:4:200039:223178,CONC(=O)c1ccc(F)c(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)c1,PMLVTWLJXFYJCO-UHFFFAOYSA-N
-rxn:4:200039:225159,COc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,KNGHTAGIDXMTDT-UHFFFAOYSA-N
-rxn:4:200039:226567,COC(=O)C(=O)c1ccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)cc1,FVLAHJGCEKMJRI-UHFFFAOYSA-N
-rxn:4:200039:227426,COc1ccc(-c2ccc(C3CCCO3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,QRTQRIADYLIFCQ-UHFFFAOYSA-N
-rxn:4:200041:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCc6ccccc65)cccc4C3=O)cc2)cc1,VTIQBZXWDBCZHI-UHFFFAOYSA-N
-rxn:4:200065:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VAFKGMAUMUTTNO-UHFFFAOYSA-N
-rxn:4:200108:222540,CCOC(=O)c1cc(C#N)c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1[N+](=O)[O-],YPQMOIIPJWIKHD-UHFFFAOYSA-N
-rxn:4:200114:223753,CCOC(=O)c1c([N+](=O)[O-])ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1C#N,WSEFTHORWXREDS-UHFFFAOYSA-N
-rxn:4:200118:222583,COC(=O)C(C#N)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-],OZHNVTGYZVAOLM-UHFFFAOYSA-N
-rxn:4:200213:223902,CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(OCCN2CCC(C)CC2)c(F)c1,LDTRIAGBBNCDEA-UHFFFAOYSA-N
-rxn:4:200251:222583,COC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nn1Cc1ccc(C(F)(F)F)cc1,SCZQIFCFHBKKNQ-UHFFFAOYSA-N
-rxn:4:200280:222633,CCC(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,SRBYDLSRPWWLOZ-UHFFFAOYSA-N
-rxn:4:200280:224196,CCC(=O)N1CCN=C1SCc1ccc(-c2cc(F)cc(CN3CCN(CC)CC3)c2)cc1,BLNCXRNQYJPDCJ-UHFFFAOYSA-N
-rxn:4:200286:222583,COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C=Cc1ccc([N+](=O)[O-])cc1C#N,POQOWHBRLNDHJW-UHFFFAOYSA-N
-rxn:4:200309:222854,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCCNC3)ccc2OC)cc1,ADXJTVBEUBHFTL-UHFFFAOYSA-N
-rxn:4:200330:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2)c1,QXGURFQECVQGLG-UHFFFAOYSA-N
-rxn:4:200339:222880,CC(C)(C)C(=O)Nc1ccc(Cl)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCCC(F)(F)C1,MNLCVGMNIGTJGR-UHFFFAOYSA-N
-rxn:4:200373:222583,CCOC(=O)c1sc(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)n(C)c1C,QWFFQNZTAWAYDT-UHFFFAOYSA-N
-rxn:4:200374:222583,CCOC(=O)c1sc(=NC(=O)c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)n(C)c1C,XDAAJUQJRPVHOM-UHFFFAOYSA-N
-rxn:4:200386:225285,CC(C)Cc1ncc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1C(F)(F)F,LECCIDLDGQHUAK-UHFFFAOYSA-N
-rxn:4:200430:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CCN5CCN(CC(F)(F)F)CC5)cc4)c3)cccc12,ZNBKVIVFFJYFGE-UHFFFAOYSA-N
-rxn:4:200433:222630,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,LSSAXZDBRIWQKK-UHFFFAOYSA-N
-rxn:4:200433:223138,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)CC1,BRQPRARYXVUNNL-UHFFFAOYSA-N
-rxn:4:200443:222471,COC(=O)c1ccc(NCc2ccccc2-c2cc(C(=O)N3CCN(CC(F)(F)F)CC3)cc(Cl)c2OC)cc1,UTSMGZMMDRQBDH-UHFFFAOYSA-N
-rxn:4:200445:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3)cc2)cc1,OFRCTTHJRYXHCF-UHFFFAOYSA-N
-rxn:4:200452:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3Cl)cc2)cc1,BPXIXGMRMVXZNS-UHFFFAOYSA-N
-rxn:4:200453:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(Cl)c3)cc2)cc1,QFLFCOSXGXOYER-UHFFFAOYSA-N
-rxn:4:200458:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1,DLDWYYXCAQEACR-UHFFFAOYSA-N
-rxn:4:200472:224180,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccccc2OCCN2CCN(C)CC2)CC1,HUQMEDYUCFYHSD-UHFFFAOYSA-N
-rxn:4:200475:222424,COCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)CC1,CPMTVKKCDDVAQS-UHFFFAOYSA-N
-rxn:4:200488:222633,COc1cc(S(=O)(=O)n2ccnc2C(C)C)c(OC)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,DKPHHMAXLXFOEI-UHFFFAOYSA-N
-rxn:4:200513:222946,O=C(c1cc(-c2cnc(N3CCCCC3O)nc2Cl)ccc1Cl)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1,AUCXHOGSZWGAOX-UHFFFAOYSA-N
-rxn:4:200518:222424,CCN1CCN(C(=O)c2cc(C(=O)OC)cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,ULWDDXUPRIJHKQ-UHFFFAOYSA-N
-rxn:4:200519:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c(C)c1,HYONBURVWGQJJT-NRFANRHFSA-N
-rxn:4:200521:222583,Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,QCALVLYCNMZMGT-UHFFFAOYSA-N
-rxn:4:200522:222583,Cc1cccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c1,VOYKJMNZRVWSBY-UHFFFAOYSA-N
-rxn:4:200528:222583,Cc1cccc(CSC2=NCCN2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c1,GDAMDGQBPJNHHK-UHFFFAOYSA-N
-rxn:4:200534:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N(C(=O)N1CCCCC1)c1ccccc1,QQUVECXYDGBHHV-UHFFFAOYSA-N
-rxn:4:200536:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3cccc(Cl)c3)o2)cc1,GDDSMHTXDNPEPR-UHFFFAOYSA-N
-rxn:4:200537:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccc(Cl)cc3)o2)cc1,IKIOCYIRCKSYPC-UHFFFAOYSA-N
-rxn:4:200537:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccc(Cl)cc3)o2)c1,MMIROYJKRQSLFG-UHFFFAOYSA-N
-rxn:4:200561:224075,CCN1CCN(Cc2ccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)cc2C(=O)OC)CC1,QEQATFXRUJDSAW-UHFFFAOYSA-N
-rxn:4:200566:223139,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(C2CCNCC2)nc1,IJRVJQSMZZKVLI-UHFFFAOYSA-N
-rxn:4:200567:222956,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C)cc3C3CCCNC3)c(C)c2)CC1,ZNYWQOKMCSLOIF-UHFFFAOYSA-N
-rxn:4:200567:223604,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)c(C)c2)CC1,KHANEHWDMDOZOK-UHFFFAOYSA-N
-rxn:4:200568:222424,CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,KTFAGEOJGPHXJJ-UHFFFAOYSA-N
-rxn:4:200574:222641,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3cccc(C(=O)NCc4ccccn4)c3)c2)CC1,LIRDNGZWGUYUNB-UHFFFAOYSA-N
-rxn:4:200579:224198,CCN1CCN(Cc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN=C4Cc4ccccc4)c3)c(F)c2)CC1,LXKUZTGVTQRGLY-UHFFFAOYSA-N
-rxn:4:200582:222583,Cc1ccccc1CSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,CZKBOLWRAQVBSO-UHFFFAOYSA-N
-rxn:4:200584:222583,Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cc1,FIYSLWHSKPIEAR-UHFFFAOYSA-N
-rxn:4:200584:222633,Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)cc1,CPHVIGWTTTUTCP-UHFFFAOYSA-N
-rxn:4:200598:222583,CCOc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(CC)CC1,KWAOHKZMFGOCGY-UHFFFAOYSA-N
-rxn:4:200599:222598,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C)c(S(=O)(=O)NC2CCCC2)c(C)c1,XBJGDFOZNRZVGO-UHFFFAOYSA-N
-rxn:4:200602:223533,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,XMNAIPQVGUHTSM-UHFFFAOYSA-N
-rxn:4:200615:223895,CCN1CCN(CCOc2ccc(-c3cc(OC)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3OC)cc2)CC1,JCHVPROFLFVRMU-UHFFFAOYSA-N
-rxn:4:200621:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(COc5ccncc5C)CC4)o3)cc2)CC1,OGDPJHIUMQBEME-UHFFFAOYSA-N
-rxn:4:200627:225748,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccncc3OCC3CCCO3)c(C(F)(F)F)n2)C1,ZAUOFTHNEVRPAW-UHFFFAOYSA-N
-rxn:4:200631:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(C=C5SC(=S)N(CCC(=O)N6CCOCC6)C5=O)c4)c3)cccc12,JIWQVJVEEWHZQC-UHFFFAOYSA-N
-rxn:4:200633:222583,COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,KTYBKORMUJCFOA-UHFFFAOYSA-N
-rxn:4:200639:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccnc1OC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1,GVTMESGCQABXLI-UHFFFAOYSA-N
-rxn:4:200643:222684,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,AKZOYSLXUHIXMX-UHFFFAOYSA-N
-rxn:4:200643:225806,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(OC4CCCC4)cc3F)nc2)CC1,NBQUICUUFDHVSG-UHFFFAOYSA-N
-rxn:4:200646:227878,CCCCCc1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)s1,KZMKOWPAAIZGJC-UHFFFAOYSA-N
-rxn:4:200653:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5=O)cc4)c3)cccc12,IPUFTCIWHSSNOY-UHFFFAOYSA-N
-rxn:4:200658:222583,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2Cl)CC1,APFSPLDWKZQKCI-UHFFFAOYSA-N
-rxn:4:200658:222597,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)Nc4ccccc4Cl)c3)cc2Cl)CC1,JQTCLQBRKBBNAI-UHFFFAOYSA-N
-rxn:4:200662:226500,CC(C)COc1ncc(Cl)cc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)CSC2=O)CC1,CWPPPJZXBIRLBK-UHFFFAOYSA-N
-rxn:4:200663:222583,CCC(=O)N1N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1c1ccc(OC)cc1,IIAAKZDWDBTWHG-UHFFFAOYSA-N
-rxn:4:200666:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(=O)N(C(=O)N3CCCCC3)c3ccccc3)c2)cc1,NXCMGNUKZMBFEW-UHFFFAOYSA-N
-rxn:4:200674:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(COc4ccncc4)C3)cc2)cc1,HHOUSIVZHKGVNW-UHFFFAOYSA-N
-rxn:4:200675:222633,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2Cl)c1,JGMSUHDOAOBFJT-UHFFFAOYSA-N
-rxn:4:200689:222540,CC(C)N1CCN(CCCc2ccccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)CC1,HIBHNSRAMZJNTM-UHFFFAOYSA-N
-rxn:4:200691:222583,CC(C)CN(c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-])C1CCCCC1,SXMMLFBHKNEDEL-UHFFFAOYSA-N
-rxn:4:200698:222424,COC(=O)c1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)ccc1CN1CCN(C(C)C)CC1,LVUXMJLIPLZKRC-UHFFFAOYSA-N
-rxn:4:200698:223123,COC(=O)c1cc(-c2ccc(NC(=O)C(C)C)cc2)ccc1CN1CCN(C(C)C)CC1,YKAWCJHOPFDHOB-UHFFFAOYSA-N
-rxn:4:200699:226330,COC(=O)c1ccc(-c2ccc(C(C)N3CCCC3)s2)c(CN2CCN(C(C)C)CC2)c1,LYIXSCVHTNLDGR-UHFFFAOYSA-N
-rxn:4:200708:223687,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)c2)CC1,GQOCZWRRNADQBO-UHFFFAOYSA-N
-rxn:4:200712:223047,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(F)cc(C(=O)NC3CC3)c2)CC1,LPBDCDPGCUJZJW-UHFFFAOYSA-N
-rxn:4:200718:222583,O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,XDQNIONCMOPWLA-UHFFFAOYSA-N
-rxn:4:200724:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1,WFLXLRHHSZHKDT-UHFFFAOYSA-N
-rxn:4:200726:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HZQGVKJHLSPRQF-UHFFFAOYSA-N
-rxn:4:200732:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)CC1,DMAOKWIDEOKOEN-UHFFFAOYSA-N
-rxn:4:200733:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cc2)CC1,ZDNUCJHFELYHOR-UHFFFAOYSA-N
-rxn:4:200733:224755,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCOCC4)ccc3F)cc2C(F)(F)F)CC1,WIPIWTLQHXHMRM-UHFFFAOYSA-N
-rxn:4:200739:224485,COc1ccc(OC)c(C2CC(c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)=NN2C(C)=O)c1,NOZSNJWRFYZWDN-UHFFFAOYSA-N
-rxn:4:200746:222424,Cc1cc(OC2CN(C(=O)c3cc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)ccc3Cl)C2)cc(=O)n1C1CC1,PUVGGYVIVNTHMN-UHFFFAOYSA-N
-rxn:4:200750:222583,COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)o2)cc1,XIOIHWYOFUVMOI-UHFFFAOYSA-N
-rxn:4:200751:222583,COc1cccc(C(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2ccco2)c1,XZCMDDGDAVRIQT-UHFFFAOYSA-N
-rxn:4:200756:223077,COC1CCN(C2CN(C(=O)Cc3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)C2)CC1,IDFXFSOPVJUJQA-UHFFFAOYSA-N
-rxn:4:200763:222424,COc1ncc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,OFQBSDSUQJUEKF-UHFFFAOYSA-N
-rxn:4:200773:222424,COc1ccc(OC)c(C2CC(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NN2S(C)(=O)=O)c1,QIDZDSIPISKIFX-UHFFFAOYSA-N
-rxn:4:200773:222583,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2S(C)(=O)=O)c1,WXBSPLUKRSAWIZ-UHFFFAOYSA-N
-rxn:4:200774:222424,COc1cccc(C2CC(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NN2S(C)(=O)=O)c1OC,NBYNVXICKZJOPO-UHFFFAOYSA-N
-rxn:4:200775:222424,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)SC2=S)cc1,QAJXTAGBFMBIDH-UHFFFAOYSA-N
-rxn:4:200775:222583,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)SC2=S)cc1,KOCBESHASBIDGQ-UHFFFAOYSA-N
-rxn:4:200777:222583,Cc1ccc(S(=O)(=O)N(c2cncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1,FSPJHCCDTFKGLE-UHFFFAOYSA-N
-rxn:4:200799:225237,O=C(CCc1ccccc1-c1ccnc(-c2ccc(F)c(F)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,VFMGFENELOUGEN-UHFFFAOYSA-N
-rxn:4:200803:222424,CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,QDWXLGHVVHFJRW-UHFFFAOYSA-N
-rxn:4:200804:222540,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)=NC2(C)C)cc1OC,JMTLERDCJNNLHW-UHFFFAOYSA-N
-rxn:4:200804:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC2(C)C)cc1OC,JAHPQEKBNZVDMQ-UHFFFAOYSA-N
-rxn:4:200804:222632,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)=NC2(C)C)cc1OC,YAWGYMQOGCQSSD-UHFFFAOYSA-N
-rxn:4:200815:223093,CC(c1cccc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JWWUNCFQJQEPLA-UHFFFAOYSA-N
-rxn:4:200821:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,RSUCBQDMGQJRCF-UHFFFAOYSA-N
-rxn:4:200823:222583,Cc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UCVCVNTXMIBBDK-UHFFFAOYSA-N
-rxn:4:200829:222633,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,LHPJXUNDHHNLJF-UHFFFAOYSA-N
-rxn:4:200831:222424,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)CC2)cc1C,JTOHHSCKHDIKDD-UHFFFAOYSA-N
-rxn:4:200832:222633,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,FZHQRAFDFPOOBY-UHFFFAOYSA-N
-rxn:4:200833:222583,COc1ccccc1C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)=NN1C(=O)c1ccccc1,LBGYGNNPQVHTMA-UHFFFAOYSA-N
-rxn:4:200835:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OCc2ccc(Cl)cc2)c(C=C2SC(N3CCOCC3)=NC2=O)c1,QUDMCZPRDBCAKI-UHFFFAOYSA-N
-rxn:4:200835:225977,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2cc(Cl)cnc2N2CCOCC2)ccc1OCc1ccc(Cl)cc1,NFLQISUDNJSELU-UHFFFAOYSA-N
-rxn:4:200853:228256,COC(=O)C1CCN(Cc2ccc(-c3cc(C)c(F)c(OC)c3)cc2N2CCOCC2)CC1,UEWVUKQSIDVVQV-UHFFFAOYSA-N
-rxn:4:200858:222583,CC(C)N1CCN(Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2Oc2ccccc2)CC1,XGNHZALYIFVDSU-UHFFFAOYSA-N
-rxn:4:200871:222583,Cc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ONCUDJMQZKXIIU-UHFFFAOYSA-N
-rxn:4:200871:223504,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GWMDJCMIUMLONP-UHFFFAOYSA-N
-rxn:4:200876:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC23CCCC3)cc1OC,NGLBULMHTSJEAB-UHFFFAOYSA-N
-rxn:4:200876:222633,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NC23CCCC3)cc1OC,HPHMBUQBILWQRO-UHFFFAOYSA-N
-rxn:4:200878:222633,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)o2)CC3)cc1,VFYXSEYVJOSMJW-UHFFFAOYSA-N
-rxn:4:200878:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(OC)cc4)o3)c2)CC1,OBJKOQBNTMDDSF-UHFFFAOYSA-N
-rxn:4:200880:226844,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,OCMVWSIZFKMLTM-UHFFFAOYSA-N
-rxn:4:200887:222583,COc1ccccc1C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,IPALVSIBSTXKIX-UHFFFAOYSA-N
-rxn:4:200888:222583,COc1ccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,HYGODQZWVQSCEF-UHFFFAOYSA-N
-rxn:4:200895:227377,O=C(c1ccc(-c2cncnc2C2CCCC2)cc1)N1CCCCC1CCN1CCCCCC1,IJMJISMTXAAVBZ-UHFFFAOYSA-N
-rxn:4:200900:222424,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NC23CCCCC3)cc1OC,AWZYFTNNMLNYMF-UHFFFAOYSA-N
-rxn:4:200900:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC23CCCCC3)cc1OC,WDLNTQFWPYFDKA-UHFFFAOYSA-N
-rxn:4:200901:222633,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2=S)c1,SBHJKQMJLAZZTF-UHFFFAOYSA-N
-rxn:4:200903:222583,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2C(C)C)CC1,JJZYZMBAJXOHFW-UHFFFAOYSA-N
-rxn:4:200904:222424,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NC23CCCCCC3)cc1OC,VENCXZCXYYYJQF-UHFFFAOYSA-N
-rxn:4:200938:222636,COC(=O)c1nn(C(=O)OC(C)(C)C)c2cccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c12,GJJORYBCFHMAAD-MRXNPFEDSA-N
-rxn:4:200956:223776,CC(=O)C(Sc1ncnc2scc(-c3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cc3)c12)C(C)=O,ZREAWTCKGSLNSD-UHFFFAOYSA-N
-rxn:4:201004:222583,CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c1)n2C,FXZAUPWIBFXOHR-UHFFFAOYSA-N
-rxn:4:201004:223960,CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1cccc(-c3ccc(F)c(C(=O)N4CCN(CC)CC4)c3)c1)n2C,DTHZSEDRDPWGEJ-UHFFFAOYSA-N
-rxn:4:201008:222583,C#CCn1c(=NC(=O)c2ccccc2-c2ccc(C(=O)NCCN3CCOCC3)cc2)sc2cc(S(C)(=O)=O)ccc21,WQCAIPIKTSHVRB-UHFFFAOYSA-N
-rxn:4:201023:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N=c4sc5cc(C(=O)OC)ccc5n4CC)c3)cc2)CC1,ORNVDORHDDWEDB-UHFFFAOYSA-N
-rxn:4:201030:226844,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3oc2=O)CC1,JMJFASNAGVQFGV-UHFFFAOYSA-N
-rxn:4:201046:222540,CCn1c(=NC(=O)c2c(OC)cccc2OC)sc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc21,GKPFBCZLCUDMMC-UHFFFAOYSA-N
-rxn:4:201059:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1,VPYZXIMTQKMJGB-UHFFFAOYSA-N
-rxn:4:201060:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc4ccccc34)cc2)cc1,UWLDQKIWGGMJRE-UHFFFAOYSA-N
-rxn:4:201066:222583,COCCCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)nc(=S)c2c1CCCC2,FPNKCGWWQMKBPJ-UHFFFAOYSA-N
-rxn:4:201068:223927,C[Si](C)(C)CCOCn1c(-c2ccccc2CCC(=O)N2CC(N3CCc4sccc4C3)C2)cc2cccnc21,UVXWWUFHPNYYCS-UHFFFAOYSA-N
-rxn:4:201071:222583,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1OC,OOFVFGILEKCQON-UHFFFAOYSA-N
-rxn:4:201072:222583,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc3OC)N2C1=O,GKHXUNFIAIOBPL-UHFFFAOYSA-N
-rxn:4:201072:226792,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCOCC5)nc4)ccc3OC)N2C1=O,UOMSYVKSFQIGHV-UHFFFAOYSA-N
-rxn:4:201072:228255,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccc(C)c(F)c4OC)ccc3OC)N2C1=O,XUYZHZBGAWLZIG-UHFFFAOYSA-N
-rxn:4:201074:222583,Cc1ccc(C)c2sc(N(CC3CCCO3)C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)o3)nc12,RZLJSOWRKVCQGA-UHFFFAOYSA-N
-rxn:4:201075:222700,O=C(CSc1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1)N1CCC(c2nc3ccccc3s2)CC1,IGCIGDPUDCMQEG-UHFFFAOYSA-N
-rxn:4:201079:222583,COCCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21,KAHRCRVHYHGYDR-UHFFFAOYSA-N
-rxn:4:201091:223491,COc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,ZUJXPNKESVXSIT-UHFFFAOYSA-N
-rxn:4:201099:223895,CCN1CCN(CCOc2ccc(-c3cccc(C4C(C(=O)OCC(C)C)=C(C)N=C5SC(C)C(=O)N54)c3)cc2)CC1,LIIFXLUHGUEFPU-UHFFFAOYSA-N
-rxn:4:201104:226860,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5cc(Cl)ccc5OC(F)(F)F)cc4)C(=S)N32)cc1OC,STBQTSKBFRGFRQ-UHFFFAOYSA-N
-rxn:4:201118:224061,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(C4CCC(CCC)CC4)cc3F)ccc21,GVIVTMWNXVOZIV-UHFFFAOYSA-N
-rxn:4:201119:222424,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)C2=O)c2ccccc21,FDZPESCEXFUJSP-UHFFFAOYSA-N
-rxn:4:201119:222583,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C2=O)c2ccccc21,WXAOKFPCZYVTHH-UHFFFAOYSA-N
-rxn:4:201119:222633,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2=O)c2ccccc21,HNMRDJWBFODXNF-UHFFFAOYSA-N
-rxn:4:201120:224198,CCN1CCN(Cc2ccc(-c3ccc(CC4SC5=NC(C)=C(C(=O)OC)C(c6ccccc6)N5C4=O)cc3)c(F)c2)CC1,LYUGANKSOYPZCZ-UHFFFAOYSA-N
-rxn:4:201135:222633,COc1cc(C)c(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12,YZUUNUUAFYYGLP-UHFFFAOYSA-N
-rxn:4:201154:224458,CC1CCN(C(C)c2ccc(-c3ccc(C4(C)CC(C)(C)N(C(=O)CSc5nc6ccccc6s5)c5ccccc54)cc3)cc2)CC1,QHLDKFCMUPOCBI-UHFFFAOYSA-N
-rxn:4:201171:222743,CC(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)N1CCC(O)CC1,WFRIBAYFRQAVMT-UHFFFAOYSA-N
-rxn:4:201171:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,VOXMQVOKITXJOW-UHFFFAOYSA-N
-rxn:4:201171:223305,Cc1c[nH]c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc12,QPSMTTDBBADMQZ-UHFFFAOYSA-N
-rxn:4:201171:224125,O=C(N1CCN=C1SCc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,GBYGDVNBSPVGEU-UHFFFAOYSA-N
-rxn:4:201171:224354,O=C(N1CCN=C1SCc1ccc(-c2cc(F)c(Oc3cccc(F)c3)c(F)c2)cc1)C12CC3CC(CC(C3)C1)C2,XWHIEQOTDFVQIX-UHFFFAOYSA-N
-rxn:4:201171:224425,CCCC1CCC(c2ccccc2-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1,XVVQXKNPDPBUKE-UHFFFAOYSA-N
-rxn:4:201171:224488,CC(C)N(C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(C)C,KABMLLBCSLOKEA-UHFFFAOYSA-N
-rxn:4:201171:224556,O=C(N1CCN=C1SCc1ccc(-c2cccc(OCc3ccccc3)c2Cl)cc1)C12CC3CC(CC(C3)C1)C2,TXDAHGVNOFHMSF-UHFFFAOYSA-N
-rxn:4:201171:224567,COc1ccc(Oc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,GPFSGFZDXVCJNO-UHFFFAOYSA-N
-rxn:4:201171:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl,MVAQULNYEVQGBN-UHFFFAOYSA-N
-rxn:4:201171:224779,O=C(N1CCN=C1SCc1ccc(-c2ccc(-c3ccccc3C(F)(F)F)s2)cc1)C12CC3CC(CC(C3)C1)C2,OULMVZTVDNFGEY-UHFFFAOYSA-N
-rxn:4:201171:224843,O=C(N1CCN=C1SCc1ccc(-c2ccccc2CCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,SCZMFVYQOZQXEF-UHFFFAOYSA-N
-rxn:4:201171:224979,O=C(N1CCN=C1SCc1ccc(-c2ccc(-n3ccnc3)cc2C2CC2)cc1)C12CC3CC(CC(C3)C1)C2,HWUUVSGOXIXORF-UHFFFAOYSA-N
-rxn:4:201171:225077,COc1cc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cnc2cc1OC,WLMPEYMBTKDWNQ-UHFFFAOYSA-N
-rxn:4:201171:225086,CN(C)CCCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,RTJADIPMYXPCMH-UHFFFAOYSA-N
-rxn:4:201171:225194,O=C(N1CCN=C1SCc1ccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,LDXWNHDTJRYTEY-UHFFFAOYSA-N
-rxn:4:201171:225457,Cc1ccc(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccn2)cc1,KQVIITPOGUSNKV-UHFFFAOYSA-N
-rxn:4:201171:225670,O=C(N1CCN=C1SCc1ccc(-c2cccc(-c3cccc(Cl)n3)c2)cc1)C12CC3CC(CC(C3)C1)C2,SMLNJGLDDKZUQK-UHFFFAOYSA-N
-rxn:4:201171:225821,O=C(N1CCN=C1SCc1ccc(-c2ccc(C3CC3)c(C(F)(F)F)c2)cc1)C12CC3CC(CC(C3)C1)C2,LRVCPFKSBDXFKZ-UHFFFAOYSA-N
-rxn:4:201171:225852,O=C(N1CCN=C1SCc1ccc(-c2cnc(C3CCCCC3)nc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,DKUOKFDMHHQEGI-UHFFFAOYSA-N
-rxn:4:201171:225917,CCOC(=O)c1cc(F)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1,PNBYAHYJORVUEG-UHFFFAOYSA-N
-rxn:4:201171:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,PZEZUCSNILNUHW-UHFFFAOYSA-N
-rxn:4:201171:226077,COc1ccc2ccccc2c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,OWLRPOGEPNJVOH-UHFFFAOYSA-N
-rxn:4:201171:226423,O=C(N1CCN=C1SCc1ccc(-c2ccc(Cl)c(N3CCCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,DHSGWHFDFZRCFP-UHFFFAOYSA-N
-rxn:4:201171:226481,COc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OCC#N,MCZIKPDHHSHNMX-UHFFFAOYSA-N
-rxn:4:201171:226663,O=C(N1CCN=C1SCc1ccc(-c2ccc(N3CCSCC3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,PRDRVJHEONJOBZ-UHFFFAOYSA-N
-rxn:4:201171:226672,O=C(N1CCN=C1SCc1ccc(-c2ccc(-n3cccn3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,DMZWVLLXMSFVST-UHFFFAOYSA-N
-rxn:4:201171:226815,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccsc3)nc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,SVCPNJMTTTZALC-UHFFFAOYSA-N
-rxn:4:201171:226890,O=C(N1CCN=C1SCc1ccc(-c2cc(F)c(C(F)(F)F)cc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,JGMGPKDHIGLTRE-UHFFFAOYSA-N
-rxn:4:201171:227233,COc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1CC#N,BZGIZQWGTWUGHG-UHFFFAOYSA-N
-rxn:4:201171:227935,CCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC,DYZBHNAFECOYHT-UHFFFAOYSA-N
-rxn:4:201171:228109,CCc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C#N)n1,MAOSGWSNJKSJNB-UHFFFAOYSA-N
-rxn:4:201171:228374,Cc1cc([N+](=O)[O-])ccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,UAFKPXBGSUBKII-UHFFFAOYSA-N
-rxn:4:201171:228524,O=C(N1CCN=C1SCc1ccc(-c2cnc3c(c2)CCC3)cc1)C12CC3CC(CC(C3)C1)C2,HETCCAGVXYWHDP-UHFFFAOYSA-N
-rxn:4:201171:228547,CCCc1ccncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,LCRWSQYPQRIQKE-UHFFFAOYSA-N
-rxn:4:201171:228582,CC(C)c1ccncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,GUAZWDTXBRHMTQ-UHFFFAOYSA-N
-rxn:4:201171:229000,CCc1ccncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,MOKPQCKDEMGVPE-UHFFFAOYSA-N
-rxn:4:201182:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)cc1,FAHKVVOUTICGJP-UHFFFAOYSA-N
-rxn:4:201183:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5c6c(oc7ccccc7c6=O)C(=O)N5CCCN5CCOCC5)cc4)c3)cccc12,ZJFKIVQPQHTYIF-UHFFFAOYSA-N
-rxn:4:201183:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)cc1,LDWMBPSVUYGOBR-UHFFFAOYSA-N
-rxn:4:201184:223118,CCCC(=O)Nc1cccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)c1,QUFOKEDJCVUUMI-UHFFFAOYSA-N
-rxn:4:201185:222632,CC1(C)Cc2c(sc3nc(SCC(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)n(-c4ccccc4)c(=O)c23)CO1,HYBFGRDPYNPPAA-UHFFFAOYSA-N
-rxn:4:201188:223279,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cnc(C3CCCN3)nc2)c1,DMAOIWDWIADALR-UHFFFAOYSA-N
-rxn:4:201190:222424,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c2)c1)N(CCCN1CCOCC1)C3=O,BEQMTUCTKUWERP-UHFFFAOYSA-N
-rxn:4:201190:222632,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cccc(C(=O)NCCN4CCCC4)c2)c1)N(CCCN1CCOCC1)C3=O,PYWYIXVDPIXKET-UHFFFAOYSA-N
-rxn:4:201191:222907,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccncc4NC(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,UUTAWRDSDRZVPY-UHFFFAOYSA-N
-rxn:4:201208:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cncc([N+](=O)[O-])c2OS(=O)(=O)C(F)(F)F)cc1,SWZPNXCSEBPPSG-UHFFFAOYSA-N
-rxn:4:201244:222583,COC(=O)c1c(C#N)ccc([N+](=O)[O-])c1-c1ccc(C(=O)NCCN2CCOCC2)cc1,QZCVKMKRTGTPLP-UHFFFAOYSA-N
-rxn:4:201269:223753,Cc1ccc(-c2ccc(C=C(C#N)C#N)c(C(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,MZEPVTUCUKQFHS-UHFFFAOYSA-N
-rxn:4:201378:222855,COc1cc(-c2c(C(F)(F)C(F)(F)C(F)(F)F)nn(C(C)=O)c2C)cc(C2CCCNC2)c1,VJDMEWXUCYZDAX-UHFFFAOYSA-N
-rxn:4:201459:223754,CCN(CC)c1ncc(C(F)(F)F)cc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,QTNQYXQSNMEXSZ-UHFFFAOYSA-N
-rxn:4:201622:222583,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,KZBQGFPOXGPWQW-UHFFFAOYSA-N
-rxn:4:201674:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(F)ccc4N4CCCC(C(=O)CC#N)C4=O)c3)cccc12,SETUPOULVIUTLX-UHFFFAOYSA-N
-rxn:4:201676:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(F)c4N4CCCC(C(=O)CC#N)C4=O)c3)cccc12,PPMXVMBRFIVGGC-UHFFFAOYSA-N
-rxn:4:201733:224458,COC(=O)c1cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)nn1CC1CCCCC1,HHZAONBUPXIHIL-UHFFFAOYSA-N
-rxn:4:201758:223038,CC(C)NC(=O)c1cc(-c2cncc(CC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1Cl,NYTCCLDBDRBBSW-UHFFFAOYSA-N
-rxn:4:201777:222945,CC(C)NS(=O)(=O)c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1F,ZJYOHDDZUDVNOS-UHFFFAOYSA-N
-rxn:4:201797:223755,Cc1cc(N2CCCC(C(=O)CC#N)C2=O)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,SCTIVANFVMLGKW-UHFFFAOYSA-N
-rxn:4:201798:225723,Cc1cc(-c2ccc(OCCN(C)C)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,YESILACLOXNIEX-UHFFFAOYSA-N
-rxn:4:201799:225291,Cc1cccc(N2CCCC(C(=O)CC#N)C2=O)c1-c1ccc(C(F)(F)F)cc1OC(C)C,CPKUMOMRBGJXNK-UHFFFAOYSA-N
-rxn:4:201801:224277,CC(C#N)C(=O)C1CCCN(c2ccccc2-c2ccnc3c2ccn3C(=O)OC(C)(C)C)C1=O,CNPDTBPUACGIIA-UHFFFAOYSA-N
-rxn:4:201802:224272,CC(C#N)C(=O)C1CCCN(c2cccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)c2)C1=O,HJYSSTITXORHPC-UHFFFAOYSA-N
-rxn:4:201813:222424,COC(=O)C1CCN(S(=O)(=O)c2cncc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,MTMJFGJMEOWDAK-UHFFFAOYSA-N
-rxn:4:201823:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1,BIDHWIARPFWIJB-UHFFFAOYSA-N
-rxn:4:201823:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1,TUIVHERLCIBKOY-UHFFFAOYSA-N
-rxn:4:201844:222424,CCN1CCN(c2cc(OC(F)(F)F)cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,ZVDYPGRPZXOIJZ-UHFFFAOYSA-N
-rxn:4:201846:222424,CN1CCN(Cc2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2OC(F)(F)F)CC1,XMGJIQUAJGWWGR-UHFFFAOYSA-N
-rxn:4:201855:223753,Cc1ccc(-c2cccc(C(=O)N3CCC(Oc4ccncc4)C3)c2)cc1OCCCN1CCN(C)CC1,DHEOLMUOYVAONT-UHFFFAOYSA-N
-rxn:4:201855:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCC(Oc5ccncc5)C4)c3)cc2F)CC1,RTXVEJJATKETDM-UHFFFAOYSA-N
-rxn:4:201866:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)o2)cc1,QEWSDYQLHXMEFQ-UHFFFAOYSA-N
-rxn:4:201870:222616,CC(C)(C)c1cc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)cc(C2CCNCC2)c1,BEGIBBFUBMTRHO-UHFFFAOYSA-N
-rxn:4:201894:222583,CN1CCN(C(=O)CCc2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)CC1,FBHYJIGUAFLWAQ-UHFFFAOYSA-N
-rxn:4:201899:222424,COC(=O)c1cc(C(=O)N2CCN(C)CC2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,ZLCXELSTWJJTPJ-UHFFFAOYSA-N
-rxn:4:201922:224612,CCN1CCN(CCc2ccc(F)c(-c3ccc(OCCN4CCOCC4)cc3)c2)CC1,PFDXPTFPNMQPKQ-UHFFFAOYSA-N
-rxn:4:201940:223754,CCN1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)cc2OC)CC1,LQSZCVZVCPBVDH-UHFFFAOYSA-N
-rxn:4:201960:222424,CCN1CCN(Cc2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc(C(F)(F)F)c2)CC1,ZYJQULPTLZDHKU-UHFFFAOYSA-N
-rxn:4:201976:222633,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(C(=O)NCCN2CCCC2)cc1,NDUJAGWTMPFFPV-UHFFFAOYSA-N
-rxn:4:201979:228303,CCN(C)c1ncc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cn1,CGDJNDNZRLHMMC-UHFFFAOYSA-N
-rxn:4:201995:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,WNFSGRLSOPJKGG-UHFFFAOYSA-N
-rxn:4:202004:222624,CCOc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,BDULWUKXYXKEFG-UHFFFAOYSA-N
-rxn:4:202006:222424,CCOc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DYHLRJKJEGBITD-UHFFFAOYSA-N
-rxn:4:202007:222424,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,WUVGDAOZMIARGP-UHFFFAOYSA-N
-rxn:4:202008:223493,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,AJJHXVIVDSJSIH-UHFFFAOYSA-N
-rxn:4:202023:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(CN5CCN(C6CC6)CC5)cc(C(F)(F)F)c4)c3)cccc12,KOWCZSCCFJDHCV-UHFFFAOYSA-N
-rxn:4:202027:222583,CCC(=O)N1N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1c1ccccc1,GSEGHGWGOLEUEK-UHFFFAOYSA-N
-rxn:4:202036:223755,Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)C2)n1,KACUPDKIRFGBFZ-UHFFFAOYSA-N
-rxn:4:202040:223755,Cc1cc(OC2CN(C(=O)c3cccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)c3C)C2)ccn1,XORKXKZJXIKPLX-UHFFFAOYSA-N
-rxn:4:202044:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)cc2)cc1,GYINYNIYPDHBFU-UHFFFAOYSA-N
-rxn:4:202061:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(CC3CCN(C(=O)C(C)(C)C)C3)n2)cc1,XTVIGERSRASPHV-FIWHBWSRSA-N
-rxn:4:202069:226843,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(C(=O)C(F)(F)F)nc3)c2)C1,ZGLJSYHJOCAWDO-UHFFFAOYSA-N
-rxn:4:202076:222583,CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)o2)CC1,ZJGUAPNVDAIUIE-UHFFFAOYSA-N
-rxn:4:202081:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ccncc4)C3)cc2)cc1,PDKYUQXKVJJTRU-UHFFFAOYSA-N
-rxn:4:202083:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4Cl)CC3)cc2)cc1,JJXMLFIZGVQFLJ-UHFFFAOYSA-N
-rxn:4:202087:222633,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)cc1[N+](=O)[O-],NLYBKQNPHSRPFE-UHFFFAOYSA-N
-rxn:4:202097:223608,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)n2)CC1,MFBCAZLQTZBGNG-UHFFFAOYSA-N
-rxn:4:202109:222684,Cc1cc(OCC(=O)N2CCN(C)CC2)cc(C)c1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BEYZKZIKJYPHLG-UHFFFAOYSA-N
-rxn:4:202112:222424,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)CC1,RAKFJOPWORACCM-UHFFFAOYSA-N
-rxn:4:202112:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(CC(C)C)CC4)cc3)cc2)CC1,WBVAMBMYARRUTP-UHFFFAOYSA-N
-rxn:4:202114:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cncc(C5CCCCN5C(=O)OC(C)(C)C)c4)c3)cccc12,SKKWVCUQIFXOMM-UHFFFAOYSA-N
-rxn:4:202124:222424,COc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,LJWNLBWWFSAVTQ-UHFFFAOYSA-N
-rxn:4:202133:223294,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2csc(N3CCNCC3)n2)CC1,YDXDZNHSRMTEQH-UHFFFAOYSA-N
-rxn:4:202133:223761,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,CUVYYFLEMVUPQF-UHFFFAOYSA-N
-rxn:4:202135:222583,COc1c(Cl)cc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,XUUNMSRRNJUMJA-UHFFFAOYSA-N
-rxn:4:202138:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,PPJHPHQDULRCTR-UHFFFAOYSA-N
-rxn:4:202143:224483,COc1cc(C)c(-c2ccc(OCCN3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,BJSDPYVTJCODIK-UHFFFAOYSA-N
-rxn:4:202144:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)o2)cc1,JRWLMCIWVYXLLC-UHFFFAOYSA-N
-rxn:4:202149:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C(=S)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1,DXNBJCIQCAZXLS-UHFFFAOYSA-N
-rxn:4:202150:222583,CCC1(C)N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C(=S)N1C(=O)c1ccccc1,QNCBCFSJZQVDOS-UHFFFAOYSA-N
-rxn:4:202152:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1,FHTXTURNZHBMLZ-UHFFFAOYSA-N
-rxn:4:202153:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(C=C5SC(=S)N(CC(=O)N6CCCCC6)C5=O)c4)c3)cccc12,WLSVNQYGUJSBSG-UHFFFAOYSA-N
-rxn:4:202153:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)cc1,RTMJJRZRSJUUDZ-UHFFFAOYSA-N
-rxn:4:202156:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3)cc2)CC1,ZCBXZFOJMGIBJP-UHFFFAOYSA-N
-rxn:4:202158:224826,CCOC(=O)c1cc(-c2cncc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)c2)cnc1C(F)(F)F,GNISPWHEIOODBO-UHFFFAOYSA-N
-rxn:4:202159:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N=C(c3ccc(Cl)cc3)N3CCOCC3)cc2)cc1,ZBKWSCNIJFAUET-UHFFFAOYSA-N
-rxn:4:202166:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(CN5CCCN(S(=O)(=O)C6CC6)CC5)c4)c3)cccc12,SAIUFWOOMQBWSL-UHFFFAOYSA-N
-rxn:4:202167:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCCN(S(=O)(=O)C6CC6)CC5)cc4)c3)cccc12,VOJUSKMGDDVOQZ-UHFFFAOYSA-N
-rxn:4:202171:222583,CC(C)(C)C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)=NN1C(=O)c1ccco1,XDJLBENYYRJAQP-UHFFFAOYSA-N
-rxn:4:202185:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC2(C)C)cc1,IFPZTPHVUJLCPP-UHFFFAOYSA-N
-rxn:4:202185:222633,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NC2(C)C)cc1,MVSIAORAFZFBQF-UHFFFAOYSA-N
-rxn:4:202194:222583,COc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,PCGOFCDCABDVFA-UHFFFAOYSA-N
-rxn:4:202207:222633,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,BZDVHTAZFCJMSY-UHFFFAOYSA-N
-rxn:4:202211:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5cccc(C)n5)CC4)cc3)cc2)CC1,AXKNBWNCNGYYBS-UHFFFAOYSA-N
-rxn:4:202212:222684,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(OCCN4CCNCC4)c(Cl)c3)C2)cc1C,NVADAPCJPMUEED-UHFFFAOYSA-N
-rxn:4:202222:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JIWRODSNOXCYFH-UHFFFAOYSA-N
-rxn:4:202237:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,SXOVTEUENOTVQX-UHFFFAOYSA-N
-rxn:4:202239:222583,CN1CCN(Cc2ccc(C(=O)c3cccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)cc2)CC1,FGCNTCDXJGFUNQ-UHFFFAOYSA-N
-rxn:4:202239:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)c3)ccc2F)CC1,OCIXZKWIGOAAIT-UHFFFAOYSA-N
-rxn:4:202240:222583,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)cc2)CC1,ZHPHTEPBUYOFMO-UHFFFAOYSA-N
-rxn:4:202242:222583,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c2)CC1,GMVDVTMHBCPVSB-UHFFFAOYSA-N
-rxn:4:202243:222583,CN1CCN(Cc2ccccc2C(=O)c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)CC1,XKDMHRFLNYIAPZ-UHFFFAOYSA-N
-rxn:4:202244:222583,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,PYMVMXBWAYBPTA-UHFFFAOYSA-N
-rxn:4:202245:223697,CCN1CCN(C(=O)c2cccc(-c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)CC1,VLQYZHQIRYNKGY-UHFFFAOYSA-N
-rxn:4:202247:222583,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3F)cc2)CC1,SWPHTGGZCBRNES-UHFFFAOYSA-N
-rxn:4:202249:222583,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3F)c2)CC1,BVOITSZGXVKLQF-UHFFFAOYSA-N
-rxn:4:202250:222583,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c(F)c2)CC1,SAZSZIATQKQZBT-UHFFFAOYSA-N
-rxn:4:202251:222583,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2F)CC1,GIJNHVBICURBRY-UHFFFAOYSA-N
-rxn:4:202252:222583,Cc1ccc(S(=O)(=O)N2CCN(C(=S)c3cccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)CC2)cc1,UIOPKNBLZKJXHR-UHFFFAOYSA-N
-rxn:4:202253:222583,CCC1(C)N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,VCTPYYKDAWIXKN-UHFFFAOYSA-N
-rxn:4:202254:222583,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2ccco2)cc1,QXDVQFQSKXVJGM-UHFFFAOYSA-N
-rxn:4:202257:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)c3nc(-c4ccccc4)oc3N3CCOCC3)cc2)cc1,AASRWIIHEHKRJB-UHFFFAOYSA-N
-rxn:4:202259:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4ccccc4Cl)C3)cc2)cc1,LQJPPMOJPQSABE-UHFFFAOYSA-N
-rxn:4:202261:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,XDOLAVBPVVHQNN-UHFFFAOYSA-N
-rxn:4:202262:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5CCC(O[Si](C)(C)C(C)(C)C)C5)nc4)c3)cccc12,FSZRKJMVHBFAPU-UHFFFAOYSA-N
-rxn:4:202262:222583,CC(C)(C)[Si](C)(C)OC1CCN(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,WQDCWXKXSPAMIN-UHFFFAOYSA-N
-rxn:4:202263:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(S(=O)(=N[Si](C)(C)C(C)(C)C)N(C)C)cc4)c3)cccc12,WIBBXVKFUAHUBJ-UHFFFAOYSA-N
-rxn:4:202276:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)cc1,GRHODKRCMZLDFT-UHFFFAOYSA-N
-rxn:4:202278:222583,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,PUBVJDXMYRXQEG-UHFFFAOYSA-N
-rxn:4:202278:222633,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,SDFQGRSOFKDANJ-UHFFFAOYSA-N
-rxn:4:202279:222583,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,VLCGSJADHAQFOY-UHFFFAOYSA-N
-rxn:4:202284:226295,COc1ccc(-c2cc(F)ccc2COC(C)C)cc1CN1CCC(N2CCCC2)CC1,HMUJQRHRBJEXDD-UHFFFAOYSA-N
-rxn:4:202286:223895,CCN1CCN(CCOc2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3C)cc2)CC1,CWUSRQNJWMJENK-UHFFFAOYSA-N
-rxn:4:202290:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(N3CCC(OC)C3)CC2)cc1,UDKUJVXTBLFUKD-UHFFFAOYSA-N
-rxn:4:202290:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC(N5CCC(OC)C5)CC4)cc3)c2)CC1,ZFEFHEWBRIOWSC-UHFFFAOYSA-N
-rxn:4:202290:227507,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C=C[N+](=O)[O-])c4)cc3)CC2)C1,QMBYAUAMINWPKF-UHFFFAOYSA-N
-rxn:4:202293:222583,CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C1,ONSHSFOFMDYGRS-UHFFFAOYSA-N
-rxn:4:202294:222633,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(C(=O)NCCN2CCCC2)cc1,SSCVZYSQCOHHRC-UHFFFAOYSA-N
-rxn:4:202310:223189,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(F)c1,KSVVLJSGUKNMOU-UHFFFAOYSA-N
-rxn:4:202316:222583,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2ccccc2)cc1,ACOJTIPBZMSGKX-UHFFFAOYSA-N
-rxn:4:202319:222633,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2c2ccccc2Cl)cc1,NCRSOBZDWZWBSO-UHFFFAOYSA-N
-rxn:4:202321:225140,Cc1nccn1-c1ccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)cc1C#N,PLURDJZRVXGAAW-UHFFFAOYSA-N
-rxn:4:202325:222583,Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)o3)CC2)c1,FKGPKXNMFQBNRC-UHFFFAOYSA-N
-rxn:4:202329:225005,COc1cc(C)c(-c2cccc(C(C)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,WDRGMSYMJOUFLK-UHFFFAOYSA-N
-rxn:4:202335:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC23CCCCC3)cc1,KYPOBQOPRDWPRA-UHFFFAOYSA-N
-rxn:4:202336:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccccc5)c(N5CCCCCC5)o4)cc3)cc2)CC1,RRHODGDHFQPRKF-UHFFFAOYSA-N
-rxn:4:202337:222855,COc1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)o2)cc(C2CCCNC2)c1,HJPSODXWFTXGGC-UHFFFAOYSA-N
-rxn:4:202346:222583,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NC23CCCCCC3)cc1,KSCHDKSKJYLANV-UHFFFAOYSA-N
-rxn:4:202346:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc1,NHGXXDWOTCYRIQ-UHFFFAOYSA-N
-rxn:4:202354:222540,COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1-c1cccc(C(=O)NCCN2CCCCC2)c1,HJPAWMYIIJMNKP-UHFFFAOYSA-N
-rxn:4:202354:222583,COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,FZPMKJSMHSBNFH-UHFFFAOYSA-N
-rxn:4:202456:222583,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c2cccc([N+](=O)[O-])c21,UEMORWORGOMZSL-UHFFFAOYSA-N
-rxn:4:202518:224268,CC(C)[C@H]1c2nc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)sc2CN1C(=O)OC(C)(C)C,OADUHZIBRRBKKH-FQEVSTJZSA-N
-rxn:4:202593:223774,COc1cccc2c1cc(-c1ccc3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3c1)n2C(=O)OC(C)(C)C,FKSHBURWBMPNPK-UHFFFAOYSA-N
-rxn:4:202593:224668,CCN1CCN(c2cc(F)cc(-c3ccc4ccc(C5CN(C(=O)OC(C)(C)C)C5)nc4c3)c2)CC1,HQJVCFRCEWZXEL-UHFFFAOYSA-N
-rxn:4:202596:222424,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc32)SC1=S,OLYGJTIDOKOBML-UHFFFAOYSA-N
-rxn:4:202602:222583,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)N2C1=O,DQOQKYFZTKBXOV-UHFFFAOYSA-N
-rxn:4:202603:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)N2C1=O,YYEUMQAXAYDKEB-UHFFFAOYSA-N
-rxn:4:202618:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc([N+](=O)[O-])cc4)cc3c2)cc1,NINGIEWBOSTMRX-UHFFFAOYSA-N
-rxn:4:202639:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3Cc3cccc4ccccc34)cc2)cc1,MSMLQPYRNZJDCZ-UHFFFAOYSA-N
-rxn:4:202647:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)cc1,LMECHVRNOQUBJK-UHFFFAOYSA-N
-rxn:4:202658:222647,Cc1cc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)c(C)cc1NC(=O)OC(C)(C)C,PSXWCGURPLKCDU-UHFFFAOYSA-N
-rxn:4:202661:225759,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3ccc(C(=O)N(C)CC)c(F)c3)ccc21,ADYBEAYHHAZURU-UHFFFAOYSA-N
-rxn:4:202663:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCOC(c4ccccc4)C3)c2)cc1,FAZWMKBOKIWJFK-UHFFFAOYSA-N
-rxn:4:202670:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccccc34)cc2)cc1,JOFYEFVEJXVCNY-UHFFFAOYSA-N
-rxn:4:202682:224764,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2F)cc1,XPOZACQQFDYAJH-UHFFFAOYSA-N
-rxn:4:202683:225920,Cc1ccc(OCC(F)(F)F)c(-c2ccc(CC(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,GCHDUVXLAUBSOU-UHFFFAOYSA-N
-rxn:4:202687:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CC(N2CCc3ccccc3C2)C1,NQMVQTMPNSWFCF-UHFFFAOYSA-N
-rxn:4:202690:222583,CC1Oc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,UWWHDCRNFCOMSK-UHFFFAOYSA-N
-rxn:4:202692:225239,COc1ccc(-c2ccc(-c3ccccc3F)nc2F)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,JJSNWPNPNUTWLP-UHFFFAOYSA-N
-rxn:4:202697:223219,COc1ccc(N2C(=NC(=O)c3ccc(-c4cncc(CNC(C)C)c4)cc3)SC3CS(=O)(=O)CC32)cc1,XRHHABHNICBKMO-UHFFFAOYSA-N
-rxn:4:202698:222892,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(N4CCNCC4)cc3OC)ccc21,RCRAPBRTUALEHF-UHFFFAOYSA-N
-rxn:4:202700:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)cc1,XGVGQYDGHROSMZ-UHFFFAOYSA-N
-rxn:4:202704:222583,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cc1,ZETFKIHFARPDCJ-UHFFFAOYSA-N
-rxn:4:202707:222456,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(NC(=O)c5ccc(C(F)(F)F)cc5)c4)cc3F)C3CS(=O)(=O)CC32)c1,WZRHLBCIVFDYFD-UHFFFAOYSA-N
-rxn:4:202707:223488,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cc5cc(Oc6ccccc6)ccc5n4C(=O)OC(C)(C)C)cc3F)C3CS(=O)(=O)CC32)c1,DTJXCOHRJUTNCF-UHFFFAOYSA-N
-rxn:4:202707:224127,CCN1CCN(C(C)c2ccc(-c3ccc(CN4C(=O)N(c5cccc(SC)c5)C5CS(=O)(=O)CC54)c(F)c3)cc2)CC1,USUNGIPWYDZKPO-UHFFFAOYSA-N
-rxn:4:202707:224572,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCCC(C)C5)cc4C#N)cc3F)C3CS(=O)(=O)CC32)c1,FKQNYLCIAVBYPU-UHFFFAOYSA-N
-rxn:4:202707:224865,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,IYOVUDXNWUICBG-UHFFFAOYSA-N
-rxn:4:202707:226846,COc1nc(C(F)(F)F)ccc1-c1ccc(CN2C(=O)N(c3cccc(SC)c3)C3CS(=O)(=O)CC32)c(F)c1,XVXLCNKWJOHGKU-UHFFFAOYSA-N
-rxn:4:202707:227385,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(C(C)(C)C)nc4C)cc3F)C3CS(=O)(=O)CC32)c1,GFSIFCHNJOEFQM-UHFFFAOYSA-N
-rxn:4:202719:222800,Cc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccccc34)cc2)cc(C)c1S(=O)(=O)NC(C)C,PRCJFOURRPBARB-UHFFFAOYSA-N
-rxn:4:202723:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1,YWDHNANNPHKICN-UHFFFAOYSA-N
-rxn:4:202726:227658,CN(C)c1cc(Cl)c(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1F,VUPXPRDMERRXRM-UHFFFAOYSA-N
-rxn:4:202727:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CC(=O)N5CCC(N6CCc7sccc7C6)CC5)cc4)c3)cccc12,FPORQFRSLZZWBN-UHFFFAOYSA-N
-rxn:4:202727:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)c1,PSSIMPPTCFMFJN-UHFFFAOYSA-N
-rxn:4:202739:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CN3CC(=O)N(Cc4ccc(F)cc4)c4ccccc4S3(=O)=O)cc2)cc1,NDBUDNSICOCXOB-UHFFFAOYSA-N
-rxn:4:202742:222632,Cc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(C)cc1-c1cccc(C(=O)NCCN2CCCC2)c1,UEPZLSRICQWDTB-UHFFFAOYSA-N
-rxn:4:202745:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3C4C(=O)N(Cc5ccccc5)C(=O)C4ON3c3ccccc3)cc2)cc1,HAEXUYHOZSXSJS-UHFFFAOYSA-N
-rxn:4:202747:222583,COc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)c(=O)oc12,ZFTMWZYESPUGMT-UHFFFAOYSA-N
-rxn:4:202750:224321,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,VHNYZOBCWMXICK-UHFFFAOYSA-N
-rxn:4:202751:222583,COc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1,GEWXSVYXKOTDIR-UHFFFAOYSA-N
-rxn:4:202757:224612,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)c3ccccc3S2(=O)=O)cc1,FLUHKBCRLYWCHO-UHFFFAOYSA-N
-rxn:4:202761:222583,COc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)C(=O)C3ON2c2ccccc2C)cc1,SMZAOWNAKUZVSH-UHFFFAOYSA-N
-rxn:4:202764:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2C(=O)ON2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1,LCJWAIUYPWMKKN-UHFFFAOYSA-N
-rxn:4:202784:222583,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,MBGIIUFWFSQLLF-UHFFFAOYSA-N
-rxn:4:202799:222583,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,IKTYHDNSSQKOAR-UHFFFAOYSA-N
-rxn:4:202804:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc1,LQUKOLLMSBEOJX-UHFFFAOYSA-N
-rxn:4:202807:222411,CNC(=S)Nc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,GSHDPDLNTWINMF-UHFFFAOYSA-N
-rxn:4:202807:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,HAAHFPNNEBIZFE-UHFFFAOYSA-N
-rxn:4:202807:222886,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,DIWQBWXTPRPWDQ-UHFFFAOYSA-N
-rxn:4:202807:222924,Cc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1S(=O)(=O)NC(C)C,NYOQDEHNFWJNAT-UHFFFAOYSA-N
-rxn:4:202807:223065,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1,ZYIVURVEIYYIOV-UHFFFAOYSA-N
-rxn:4:202807:223691,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc1,UQPKDYIIJUQFGL-UHFFFAOYSA-N
-rxn:4:202807:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,CSXTUZDSZSWYSC-UHFFFAOYSA-N
-rxn:4:202807:224421,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1,JZJKGOYUJLENQY-UHFFFAOYSA-N
-rxn:4:202807:224666,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1,RVXWJCWQYYEUHC-UHFFFAOYSA-N
-rxn:4:202807:224846,CCC1CCC(c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,MQGJYTCSPZQHPR-UHFFFAOYSA-N
-rxn:4:202807:224864,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN(C(C)C)C(C)C)cc2)cc1,KFJBEEFQOZHMIO-UHFFFAOYSA-N
-rxn:4:202807:225869,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1,YVMLDPTZWKHNGU-UHFFFAOYSA-N
-rxn:4:202807:226181,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3=CCCCC3)nc2)cc1,FCCKKVLHBAVMOR-UHFFFAOYSA-N
-rxn:4:202807:226842,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1,RPFQSHXUOFGTKF-UHFFFAOYSA-N
-rxn:4:202807:227022,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCC3)cc2)cc1,XVIIVRLBRMFNTQ-UHFFFAOYSA-N
-rxn:4:202807:227739,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cnc1C(F)(F)F,QDKWAKSIHVJWOM-UHFFFAOYSA-N
-rxn:4:202813:222583,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc2OC3c2ccccc2Cl)cc1,QIRPXIIXNNZHHG-UHFFFAOYSA-N
-rxn:4:202814:222583,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc2OC3c2ccc(Cl)cc2)cc1,UDXIKIQAFQMMRL-UHFFFAOYSA-N
-rxn:4:202818:222913,Cc1ccc(C2Oc3ccc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,PQAZTSZMZBZEHW-UHFFFAOYSA-N
-rxn:4:203410:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CC(CF)C3)c(C(F)(F)F)c2)cc1,MDLDGGJTSMBXPW-UHFFFAOYSA-N
-rxn:4:203545:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)c1,HMAQFFGMDXICPD-UHFFFAOYSA-N
-rxn:4:203634:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCCC3)c(F)cc2C)CC1,GVVCIFRWVDFIPK-UHFFFAOYSA-N
-rxn:4:203637:222583,COc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc(N2CCCC2)c1[N+](=O)[O-],PAYGAFZOJFSYPU-UHFFFAOYSA-N
-rxn:4:203639:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1,QUBCJPDMMNMHNX-UHFFFAOYSA-N
-rxn:4:203649:222583,N#CC1CCN(C(=O)c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2Cl)CC1,CZIMQVSGVWOPLQ-UHFFFAOYSA-N
-rxn:4:203649:223753,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(C#N)CC3)c2)cc1OCCCN1CCN(C)CC1,QMLVNGNYQHWMDU-UHFFFAOYSA-N
-rxn:4:203668:222585,CN(C)C1COCC1Oc1ncccc1-c1ccccc1C(=O)NCCN1CCOCC1,JTNNEHYKOOSPFS-UHFFFAOYSA-N
-rxn:4:203677:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4C(=O)CCC(C#N)=C4C)cc3)cc2)CC1,QSTGYPOMIDXYCB-UHFFFAOYSA-N
-rxn:4:203677:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3C(=O)CCC(C#N)=C3C)cc2)CC1,KEUSXHHEKPKQRK-UHFFFAOYSA-N
-rxn:4:203708:224672,CCN1CCN(c2ccc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)c(Cl)c2)CC1,JPQIEESBUZOWPP-UHFFFAOYSA-N
-rxn:4:203712:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,APAJRDUVAABLDN-UHFFFAOYSA-N
-rxn:4:203792:222583,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,OIEWEFMUIQMMBK-UHFFFAOYSA-N
-rxn:4:203796:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(N3C(=O)C(=Cc4ccccc4[N+](=O)[O-])SC3=S)c2)cc1,MLLNJZDWBGSOPY-UHFFFAOYSA-N
-rxn:4:203796:224612,O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(-c2ccc(OCCN3CCOCC3)cc2)c1,NMKLCOCNAZOKBN-UHFFFAOYSA-N
-rxn:4:203801:222633,CN1CCN(C(=O)Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,DCLMBEOCUTUHTJ-UHFFFAOYSA-N
-rxn:4:203825:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,QRQFCTLVAAWKNP-UHFFFAOYSA-N
-rxn:4:203841:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(N6C(=O)COC6=O)C5)cc4)c3)cccc12,RCCAZKSWPWVRBL-UHFFFAOYSA-N
-rxn:4:203841:226495,CCN(CC)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)c(F)cn1,QZPQQTRPDQOLNR-UHFFFAOYSA-N
-rxn:4:203852:223755,COc1ccc(N2C(=O)C(=O)N(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)C2=S)cc1,LFJHCCDBBVOXNK-UHFFFAOYSA-N
-rxn:4:203897:222694,CCS(=O)(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,CGDHNGWRQKNHRW-UHFFFAOYSA-N
-rxn:4:203917:224612,Cc1ccc(C2=NC(=Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)C(=O)O2)cc1[N+](=O)[O-],DHHYTGDLBLCRPF-UHFFFAOYSA-N
-rxn:4:203985:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)ccc21,SSPMFPIOIZLWLQ-UHFFFAOYSA-N
-rxn:4:204023:223895,CCN1CCN(CCOc2ccc(-c3cc(F)c(CN4CCN(C(C)C)CC4)c(F)c3)cc2)CC1,ILTQBWIBQAVOIS-UHFFFAOYSA-N
-rxn:4:204026:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCN(C)CC1,DIFRXRLWWHOGAN-UHFFFAOYSA-N
-rxn:4:204027:222514,COc1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)cc1S(=O)(=O)NC1CCCCC1,JZZZASNUWFBUJV-FQEVSTJZSA-N
-rxn:4:204030:225161,CC(C)S(=O)(=O)N1CCN(c2cccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)c2)CC1,JJDSKLUWKLUTSC-UHFFFAOYSA-N
-rxn:4:204046:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)CSC4=O)CC3)ccc2F)CC1,KJNDSPFIHKHQGN-UHFFFAOYSA-N
-rxn:4:204046:224378,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)CC1,NJSUQTZSFIYAHX-UHFFFAOYSA-N
-rxn:4:204049:224378,COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,OKAYBZFVHRXLML-UHFFFAOYSA-N
-rxn:4:204050:224612,CC1(C)N=C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C(=S)N1C(=O)c1ccc(Cl)cc1,UONATVXVZYROQL-UHFFFAOYSA-N
-rxn:4:204057:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OCCCN1CCN(C)CC1,AYWMGSCYEGSICZ-UHFFFAOYSA-N
-rxn:4:204070:223572,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12,LKAMQSCISVDFGB-UHFFFAOYSA-N
-rxn:4:204072:222684,Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,MFDWSSSGIWFUPR-UHFFFAOYSA-N
-rxn:4:204103:224404,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1)N1CCC(N2CCCC2)CC1,SSYNJJCVXZCTGW-UHFFFAOYSA-N
-rxn:4:204104:222684,O=C(C1CCCC1)N1CCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,ZNVJFLGDLMQCGR-UHFFFAOYSA-N
-rxn:4:204109:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(C2CCNCC2)n1,HDEHOTZIQAFCLR-UHFFFAOYSA-N
-rxn:4:204109:224470,COCCOc1ccc2cc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)ccc2c1,WATZGFCRDKXSQY-UHFFFAOYSA-N
-rxn:4:204115:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,YUIHPTVGYIUDRI-UHFFFAOYSA-N
-rxn:4:204118:222439,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)N1CCCN(C2CCSC2)CC1,XGAFLRGQHICSRV-UHFFFAOYSA-N
-rxn:4:204122:222538,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)nc2)cc1,WIMBJXHCXFXUQB-UHFFFAOYSA-N
-rxn:4:204122:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4CCCCN4S(=O)(=O)c4ccc(C)cc4)cn3)cc2)CC1,RAIOKLWIMJSIQM-UHFFFAOYSA-N
-rxn:4:204125:224065,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(N5CCC(C)CC5)c4)cc3)CC2)cc1Cl,LRPIFGPFMJSFQW-UHFFFAOYSA-N
-rxn:4:204129:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2)CC1,LZXZQHWFUYJCHP-UHFFFAOYSA-N
-rxn:4:204148:223084,CC1CCCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCC2)C1,JVJJWVYPMUCMHJ-UHFFFAOYSA-N
-rxn:4:204150:224248,CC1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2Cl)CC1,NQPBRLLLSSMYLW-UHFFFAOYSA-N
-rxn:4:204157:224683,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,MEWSJWOAVYZVDY-UHFFFAOYSA-N
-rxn:4:204177:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)cc2)CC1,OSWXVVYVCXDWQD-UHFFFAOYSA-N
-rxn:4:204350:223917,COCn1ncc(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)c1C12COCC1O2,GWVIASQKLDIUAS-UHFFFAOYSA-N
-rxn:4:204459:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4ccn(C(=O)OC(C)(C)C)c4cn3)cc21,SAZMMWZXRIHILY-UHFFFAOYSA-N
-rxn:4:204552:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2OCCN3C(=O)OC(C)(C)C)cc1,KGLIVEDTXNKJTD-UHFFFAOYSA-N
-rxn:4:204556:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1,FDXWDYNCTSZBKP-UHFFFAOYSA-N
-rxn:4:204594:223761,Cc1ccc(S(=O)(=O)n2cc(C(F)(F)F)c3cc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cnc32)cc1,ZPUSEKFCUJCVSH-UHFFFAOYSA-N
-rxn:4:204598:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)CCCN3C(=O)OC(C)(C)C)cc1,CKIZTXLAILFOAP-UHFFFAOYSA-N
-rxn:4:204648:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)CC1,AIRKOYYGYXTLRD-UHFFFAOYSA-N
-rxn:4:204658:222539,CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc21,MENBILCXCXTIPR-UHFFFAOYSA-N
-rxn:4:204659:225367,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cnc(N4CCC(F)(F)CC4)nc3)cnc12,ABDOLBYSPQTZTG-UHFFFAOYSA-N
-rxn:4:204683:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,XPAMOGTZDXOKFW-UHFFFAOYSA-N
-rxn:4:204683:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,LGEYMSYYBZNYQV-UHFFFAOYSA-N
-rxn:4:204694:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1,VTMUJJHHKVTUSK-UHFFFAOYSA-N
-rxn:4:204694:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1,UBSCZLOZNYAXFS-UHFFFAOYSA-N
-rxn:4:204695:225758,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccncc2C(=O)OC(C)(C)C)c1,ALOVDUCCBACYLH-UHFFFAOYSA-N
-rxn:4:204695:227289,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cccnc2OC(C)(C)C)c1,AWUIHRJGKWQPIH-UHFFFAOYSA-N
-rxn:4:204697:226068,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1,MMITWFIJQIQYGJ-UHFFFAOYSA-N
-rxn:4:204723:227025,CCc1ncc(C2CC2)cc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,KBCJQZSYBNADNY-UHFFFAOYSA-N
-rxn:4:204737:224372,COCC1CN=C(c2ccccc2Cl)c2cc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)ccc2N1C,GEDCMGTVUSSBKM-UHFFFAOYSA-N
-rxn:4:204740:223823,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,RJJUDIBZVGPIJZ-UHFFFAOYSA-N
-rxn:4:204764:223058,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)C1,BODPWKZXDMTREU-UHFFFAOYSA-N
-rxn:4:204774:222424,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,DTBJWESJGKXWDO-UHFFFAOYSA-N
-rxn:4:204775:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,JZLYXUUWUNMBST-UHFFFAOYSA-N
-rxn:4:204778:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5ccc(F)cc5)S(=O)(=O)c5ccccc54)c(F)c3)c(F)c2)CC1,NTNHSRDVVUKQBB-UHFFFAOYSA-N
-rxn:4:204782:222424,COc1cccc(N2C(=S)N(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)C3CS(=O)(=O)CC32)c1,VQKRYLRUOUBTFC-UHFFFAOYSA-N
-rxn:4:204787:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)cc2)CC1,MELLYYTYVWDBCZ-UHFFFAOYSA-N
-rxn:4:204797:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,HBLKWQYTEFHSTH-UHFFFAOYSA-N
-rxn:4:204804:227145,COc1cccc2sc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc12,IQSKJZREEDEYDQ-UHFFFAOYSA-N
-rxn:4:204805:222704,O=C(C1=CN(c2ccc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,DBGBQQPGAIZIGP-UHFFFAOYSA-N
-rxn:4:204816:222424,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,UVFWGVXYZWUUQA-UHFFFAOYSA-N
-rxn:4:204826:222588,Cc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cc3F)c3ccccc3S2(=O)=O)cc1F,SOOSHQQVINNLJT-UHFFFAOYSA-N
-rxn:4:204831:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,VOIWOQNCZRTLQC-UHFFFAOYSA-N
-rxn:4:204846:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2C(=O)N(c3cc(C)ccc3C)C3CS(=O)(=O)CC32)c(F)c1,GZOIYQKWQYOMTR-UHFFFAOYSA-N
-rxn:4:204847:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4c5cccn5CCN4S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)cc2)CC1,JFDCUNDTYKXGIV-UHFFFAOYSA-N
-rxn:4:204850:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)N(c5cc(C)cc(C)c5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,SDZUTIMHFNCVFZ-UHFFFAOYSA-N
-rxn:4:204858:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5cccc(C)c5C)S(=O)(=O)c5ccccc54)c(F)c3)c(F)c2)CC1,YQTBUKHTNDVRBY-UHFFFAOYSA-N
-rxn:4:204865:222424,CC1CCN(C(=O)C2=CN(c3cccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)c3)c3ccccc3S2(=O)=O)CC1,FTSZAEZDRRLKBK-UHFFFAOYSA-N
-rxn:4:204868:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cc2F)CC1,WIKQXAPLKNZXLP-UHFFFAOYSA-N
-rxn:4:204955:224014,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(-c5cccc(C(F)(F)F)c5)nc4Cl)ccc2OC3C2CCCCC2)cc1,SZJNTZGUIDSOPU-UHFFFAOYSA-N
-rxn:4:205655:223520,CC(c1ccc(-c2cncc(C(=O)N3CCC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,NEZKCGQHOXSSOJ-UHFFFAOYSA-N
-rxn:4:205824:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)cc2)CC1,LWVHEYFDJIYLOP-UHFFFAOYSA-N
-rxn:4:206338:222465,O=[N+]([O-])c1ccc(N2CCCC2)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,MIAFZRQPBQNHAF-UHFFFAOYSA-N
-rxn:4:206367:223541,N#Cc1c(C2CCOCC2)ccnc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YGFCVHANLCLOMX-UHFFFAOYSA-N
-rxn:4:206387:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CCOCC4)c3)ccn2)CC1,QVIFTXCNPYODEF-UHFFFAOYSA-N
-rxn:4:206543:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)ccn2)CC1,MLLXYXJFTUHMKK-UHFFFAOYSA-N
-rxn:4:206694:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(C2CCCN2S(C)(=O)=O)n1,XARQSJDIKJJSMW-UHFFFAOYSA-N
-rxn:4:206697:223895,CCN1CCN(CCOc2ccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)cc2)CC1,CEAXBHZYOMDOHB-UHFFFAOYSA-N
-rxn:4:206766:225364,Cc1cc(F)c(-c2cc(F)c([N+](=O)[O-])c(N3CCC(F)(F)CC3)c2)cc1S(=O)(=O)N(C)C,QZVPPNSJIZHRRA-UHFFFAOYSA-N
-rxn:4:206793:222684,NS(=O)(=O)c1ccc(N2CCOCC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,FNMNLGJIDBEBRZ-UHFFFAOYSA-N
-rxn:4:206939:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(C)cc3N3CCCCC3)cc2)CC1,NPBIAGXZDFJZFU-UHFFFAOYSA-N
-rxn:4:206960:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,AZFGMHXMTLWVSH-UHFFFAOYSA-N
-rxn:4:206962:222684,CS(=O)(=O)N1CCCC(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,VYZVDLBGNIWSDF-UHFFFAOYSA-N
-rxn:4:206976:224829,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2F)cc1OC(F)(F)F,SHOPXWYCTUXMSK-UHFFFAOYSA-N
-rxn:4:207008:223712,COc1ccc(-c2c(C)nn(CC3CCCCC3)c2C)cc1C12CC3CC(CC(C3)C1)C2,CCUAZUNOUMRLGM-UHFFFAOYSA-N
-rxn:4:207061:222694,CN1CCCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,XHVDGNIQTGLUNK-UHFFFAOYSA-N
-rxn:4:207081:225898,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cnn(CCN4CCOCC4)c3)c1)C2,UPRIXZRWDZGMQE-UHFFFAOYSA-N
-rxn:4:207081:225977,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(Cl)cnc3N3CCOCC3)c1)C2,NTVXLMLUGZLHPG-UHFFFAOYSA-N
-rxn:4:207381:223533,COC(=O)c1c[nH]c2nc(C)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc12,PYYIEQWRMHMLTA-UHFFFAOYSA-N
-rxn:4:207447:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC3CC2CS3)c1,RATMVMRBPJKUAV-UHFFFAOYSA-N
-rxn:4:207736:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,PMPRBMSECROGNE-UHFFFAOYSA-N
-rxn:4:207736:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,FUUFELYRIBBJLU-UHFFFAOYSA-N
-rxn:4:207769:223827,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)ccc21,AICPWFREQSUKQG-UHFFFAOYSA-N
-rxn:4:207789:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)C(=C4SC(=S)N(Cc6ccco6)C4=O)C(=O)N5C)c3)cccc12,RHYTWXJRJJMNEZ-UHFFFAOYSA-N
-rxn:4:207796:224462,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)ccc3oc2=O)CC1,JPWUANDBUAEDFI-UHFFFAOYSA-N
-rxn:4:207811:223712,COc1ccc(-c2ccc3c(C4=CCN(C(C)C)CC4)c[nH]c3c2)cc1C12CC3CC(CC(C3)C1)C2,FMSIDDLTNRODPP-UHFFFAOYSA-N
-rxn:4:207825:224738,O=C1OC2(CCCN(C(=O)c3cncc(-c4cc(OCC5CC5)cc(C(F)(F)F)c4)c3)C2)c2ccccc21,AEBJNIMOFCDRRR-UHFFFAOYSA-N
-rxn:4:207913:223753,Cc1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C(c2cccc(Cl)c2)O3)cc1OCCCN1CCN(C)CC1,VUVNKZHAEFJVID-UHFFFAOYSA-N
-rxn:4:207914:223753,Cc1ccc(-c2ccc(-c3cn4c5c(sc4n3)CC(C(C)(C)C)CC5)cc2)cc1OCCCN1CCN(C)CC1,NEDFIVQBSPOXEM-UHFFFAOYSA-N
-rxn:4:207959:226446,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCOC5)nc4C)ccc2OC3C2CCCCC2)cc1,SUUIUFJHGJHSFK-UHFFFAOYSA-N
-rxn:4:207965:222424,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)ccc2OC32CCC(C)CC2)cc1,LPMRRQPMIGBLOJ-UHFFFAOYSA-N
-rxn:4:208454:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(Cl)nc(C)c1[N+](=O)[O-],CUXOZRNNBWDZST-UHFFFAOYSA-N
-rxn:4:209221:223492,Cc1cc(-c2ccnc(N3CCSC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JRULSITVQYKZNW-UHFFFAOYSA-N
-rxn:4:209245:223521,CC(c1cccc(-c2cncc(N3CCSC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,RPZINNQWAHLRBI-UHFFFAOYSA-N
-rxn:4:209525:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C4COCCC4=O)n3)ccc2OC)CC1,RBRAWUVMJJRNPN-UHFFFAOYSA-N
-rxn:4:209774:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ncccc3N3CCC(F)(F)CC3)c2)CC1,HUENYIHHDPVTLY-UHFFFAOYSA-N
-rxn:4:209883:223842,Cc1cc(N2CCC(C)CC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,TYEXOFQPOHPMBY-UHFFFAOYSA-N
-rxn:4:209883:223845,Cc1cc(N2CCC(C)CC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,WHFOCYAMEWDDPJ-UHFFFAOYSA-N
-rxn:4:209885:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCCCC1C,SZLNIAKUPXTQCS-UHFFFAOYSA-N
-rxn:4:209887:223845,Cc1cc(N2CCCC(C)C2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,RYTLPHXWXFDHGV-UHFFFAOYSA-N
-rxn:4:209888:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCCC(C)C1,ONYGLRJVMLWZNY-UHFFFAOYSA-N
-rxn:4:209889:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCC(C)CC1,RIMKMNAAOMZIKQ-UHFFFAOYSA-N
-rxn:4:209891:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(N2CCN(C)CC2)c1,QJQYCOLFCZJLGE-UHFFFAOYSA-N
-rxn:4:209891:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(N2CCN(C)CC2)c1,QEHPAJCRHLFPAV-UHFFFAOYSA-N
-rxn:4:209892:223845,Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cccc1N1CCN(C)CC1,KSOBYCPATGVFMM-UHFFFAOYSA-N
-rxn:4:209893:223842,Cc1ccc(N2CCN(C)CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,YEHKRCULVZKQOS-UHFFFAOYSA-N
-rxn:4:209893:223845,Cc1ccc(N2CCN(C)CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,GMIKXZRLADMCPP-UHFFFAOYSA-N
-rxn:4:209894:223845,Cc1ccc(N2CCN(C)CC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c1,VCVGIAHDIWEIHB-UHFFFAOYSA-N
-rxn:4:210681:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,HAGOGXFHMQTHAK-UHFFFAOYSA-N
-rxn:4:210863:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc4sc(N5CCOCC5)nc34)c(F)cn2)CC1,HQAXNNOSYUBPQX-UHFFFAOYSA-N
-rxn:4:210955:223712,COc1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)cc1C12CC3CC(CC(C3)C1)C2,LTLLBMFQZHGCMJ-UHFFFAOYSA-N
-rxn:4:211033:223712,COc1ccc(-c2cnc(N3CC4CCCC4C3)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,BLGOXJSGOPIPDV-UHFFFAOYSA-N
-rxn:4:211059:222583,CN1C(=O)C2(c3ccccc31)N(c1ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc1)C(=O)CS2(=O)=O,KIDYPCDRLBBXCZ-UHFFFAOYSA-N
-rxn:4:211089:222633,N#CC1=C2CCCCCN2c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2S1(=O)=O,ONJBMNBXTXJHNG-UHFFFAOYSA-N
-rxn:4:211096:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCCC2)O3)cc1,GKWBFSVNIWWVQC-UHFFFAOYSA-N
-rxn:4:211098:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)cc2)CC1,RMCALCATFAXPQM-UHFFFAOYSA-N
-rxn:4:211100:224612,CC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCOCC4)cc3)cc1C1CC(c3ccc(Cl)cc3)=NN12,WTYFADPUBJQCCF-UHFFFAOYSA-N
-rxn:4:212284:223660,CN1C(=O)COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc21,LMGULMHBKWAFAI-UHFFFAOYSA-N
-rxn:4:212542:224759,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,VAEWNJPFKCQACZ-UHFFFAOYSA-N
-rxn:4:212551:222684,O=C(OCc1ccccc1)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,IYLSTRWNEJKDAS-UHFFFAOYSA-N
-rxn:4:212557:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)c3ccccc3[N+](=O)[O-])cc2)cc1,JIVKQCKJWOHCPD-UHFFFAOYSA-N
-rxn:4:212563:224612,O=C(c1ccccc1-c1ccc(OCCN2CCOCC2)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,VGUABLLOGDBQLB-UHFFFAOYSA-N
-rxn:4:212568:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)C(=Cc5ccco5)N5C=CC=CC5=C(C#N)C#N)cc4)c3)cccc12,SREMKUPLCKQYRY-UHFFFAOYSA-N
-rxn:4:212578:222583,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,FPSOYWUAFHDHIY-UHFFFAOYSA-N
-rxn:4:212583:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)cc1,CFWPBOVXTLQPEV-UHFFFAOYSA-N
-rxn:4:212583:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)cc1,MAHRYBIOFPBBOT-UHFFFAOYSA-N
-rxn:4:212583:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)cc3)c(F)c2)CC1,NFGFDXACANDUAB-UHFFFAOYSA-N
-rxn:4:212584:222424,CC(C)N(Cc1nn(C)cc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1)C(=O)OC(C)(C)C,OHYKSTHSESGZBL-UHFFFAOYSA-N
-rxn:4:212587:224742,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C5OCCO5)c(OC)cc4OC)cn3)C2)cc1,LYGNWCPOYCNMBL-UHFFFAOYSA-N
-rxn:4:212606:223042,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC(C)C)c(Cl)c3)cn2)C1,BUFYDJNYFQWWDT-UHFFFAOYSA-N
-rxn:4:212608:223059,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCNCC4)cc3Cl)cn2)C1,SNJRUHHTAIIEEO-UHFFFAOYSA-N
-rxn:4:212608:224393,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,UGNDLKFPLMRYGV-UHFFFAOYSA-N
-rxn:4:212610:222583,CCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCCC1,PAKTVBKFYCVMTC-UHFFFAOYSA-N
-rxn:4:212618:226844,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JVKLEIFGFZRFOF-UHFFFAOYSA-N
-rxn:4:212619:226844,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,NUOKHJPKZLJKRI-UHFFFAOYSA-N
-rxn:4:212626:222583,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)c1,SZOPYFKYXCYKEK-UHFFFAOYSA-N
-rxn:4:212650:224612,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)cc3)cn2)C1,YCIIPUVFRCYNCI-UHFFFAOYSA-N
-rxn:4:212654:222583,CCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,YNNRKTHGALQWIA-UHFFFAOYSA-N
-rxn:4:212654:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4CC)cc3)c(F)c2)CC1,AKJRLYCIJKNRMP-UHFFFAOYSA-N
-rxn:4:212658:222424,COC(=O)c1ncc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,WSDBYPGBUPNJMI-UHFFFAOYSA-N
-rxn:4:212665:224399,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cn2)C1,MWSTZPOHICDKHH-UHFFFAOYSA-N
-rxn:4:212667:225394,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCC5)cc(C5CC5)c4)cn3)C2)cc1,TVSWDCAFOVZDJM-UHFFFAOYSA-N
-rxn:4:212681:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccccc3)cc2)cc1,HZEHXVDUQDFGFO-UHFFFAOYSA-N
-rxn:4:212683:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(Cl)cc3)cc2)c1,NECGPKXVYXNYDS-UHFFFAOYSA-N
-rxn:4:212694:222816,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)CC2)C1=O,NMOZFMNJTUBTSX-UHFFFAOYSA-N
-rxn:4:212706:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4CC(c5ccc(OC)cc5)=NN4C(=O)c4cccc([N+](=O)[O-])c4)cc3)c2)CC1,LBIMLQVGFMISHM-UHFFFAOYSA-N
-rxn:4:212708:222583,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,IVIKTKJYOYQEPH-UHFFFAOYSA-N
-rxn:4:212711:222984,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(CN5CCC(O)C5)cc4)o3)CC2)nn1,PXHJTKTXILCHRB-UHFFFAOYSA-N
-rxn:4:212727:222633,Cc1ccccc1-n1c(-c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,CKRQYHZFHAHODM-UHFFFAOYSA-N
-rxn:4:212729:225947,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCN(C)CC6)nc5)cc4)C3)n2)cc1OC,ZBKGMRATRWHTSE-UHFFFAOYSA-N
-rxn:4:212744:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,DGCRSLBJOWYPBZ-UHFFFAOYSA-N
-rxn:4:212748:223279,CC1CN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,URSUMYSVKRWADV-UHFFFAOYSA-N
-rxn:4:212767:222583,COCCn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)s2)sc2cc(S(N)(=O)=O)ccc21,WPLSJIVUNKQOBH-UHFFFAOYSA-N
-rxn:4:212776:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N(CCN(C)C)c4nc5c(F)cc(F)cc5s4)cc3)ccc2F)CC1,UYMBMDNHEGBFRJ-UHFFFAOYSA-N
-rxn:4:212780:222583,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)sc2cc(S(N)(=O)=O)ccc21,RMLJZOSLBNDPRX-UHFFFAOYSA-N
-rxn:4:212781:222583,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)sc2cc(S(N)(=O)=O)ccc21,XYZJFMHDESELFQ-UHFFFAOYSA-N
-rxn:4:212785:222583,COCCn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)sc2cc(S(N)(=O)=O)ccc21,WPHZJKFGTWJKJC-UHFFFAOYSA-N
-rxn:4:212796:222583,CCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCc2ccccc21,RNDRDZSXYQNUPR-UHFFFAOYSA-N
-rxn:4:212823:222583,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)ccc43)CC2)cc1,HNPXUUOSKQGCKZ-UHFFFAOYSA-N
-rxn:4:212824:222424,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)cc4s3)CC2)cc(OC)c1OC,VGHKQDCTLDKZCZ-UHFFFAOYSA-N
-rxn:4:212831:226727,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cccc(SCC(F)(F)F)c3)cc2C1c1ccccc1,LWYVUDXUULHMQN-UHFFFAOYSA-N
-rxn:4:212839:228208,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)cnc4Cl)ccn23)CC1,ISHVVCSLZUHGBR-UHFFFAOYSA-N
-rxn:4:212846:222583,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)n(Cc4ccco4)c(=O)c23)C1,IQXYLQMULGRYAW-UHFFFAOYSA-N
-rxn:4:212884:223761,CC(C)n1nc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)nc1Oc1ccccc1OC(F)(F)F,LJNPCMWNRSGYSQ-UHFFFAOYSA-N
-rxn:4:212927:222583,N#Cc1nc(COc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)oc1N1CCOCC1,WQZKTDGJOSQWPB-UHFFFAOYSA-N
-rxn:4:212927:222684,N#Cc1nc(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)oc1N1CCOCC1,WLMKKUAZAVYBTO-UHFFFAOYSA-N
-rxn:4:212947:224593,CC1CCN(Cc2cc(-c3cnn(CC4CN(S(=O)(=O)Cc5cc(F)ccc5F)C4)c3)ccc2F)CC1,ZCMODYCUTRGOHS-UHFFFAOYSA-N
-rxn:4:212948:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccnc3)cc2)cc1,XGZYKJORXWTVED-UHFFFAOYSA-N
-rxn:4:212972:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc(SCC(=O)N4CCCC4)nn3)cc2)cc1,FSZZMAODGIETGK-UHFFFAOYSA-N
-rxn:4:212974:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(OC3CCN(C(=O)Cc4cccnc4)C3)nc2)cc1,LTITVOLDLNWTRC-UHFFFAOYSA-N
-rxn:4:212989:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)cc1,FTFQDMQQRMYSNL-UHFFFAOYSA-N
-rxn:4:212989:223524,COc1ccc2c(c1)c(-c1ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s1)cn2S(=O)(=O)c1ccc(C)cc1,NLMFUVFHTVZSPP-UHFFFAOYSA-N
-rxn:4:212989:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,NDSXAVTZOBPDBD-UHFFFAOYSA-N
-rxn:4:212989:223681,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc4cc([N+](=O)[O-])ccc4n3C(=O)OC(C)(C)C)s2)CC1,RZAMWSJFDDUZNW-UHFFFAOYSA-N
-rxn:4:212989:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,ARBARIIKWHYSJJ-UHFFFAOYSA-N
-rxn:4:212989:226232,CN(C)CCOc1cccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,MFBWWCISWNWJQX-UHFFFAOYSA-N
-rxn:4:212989:227329,COc1ccc(C(C)=O)cc1-c1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1,MWDMOPKCGSLRBI-UHFFFAOYSA-N
-rxn:4:212992:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)C5CC5)C4)nc3)c2)CC1,FTSYBIMBAXAUTR-UHFFFAOYSA-N
-rxn:4:213011:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c2)CC1,REBGUQYCVNFTAK-UHFFFAOYSA-N
-rxn:4:213015:222583,Cn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCCC1,RKFQGFMCKPCUSW-UHFFFAOYSA-N
-rxn:4:213042:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCCN(C(=O)OC(C)(C)C)C5)cn4)c3)cccc12,UTCYEXOVQUGVKU-UHFFFAOYSA-N
-rxn:4:213042:222684,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,FJSNTGNVGXMHPG-UHFFFAOYSA-N
-rxn:4:213045:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OCC5CCCN(C(=O)C6CCC6)C5)nc4)c3)cccc12,OIMRZGMKNLHBQX-UHFFFAOYSA-N
-rxn:4:213049:222583,CC1CCN(c2oc(COc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)nc2C#N)CC1,MUPLXGAWKUDVHV-UHFFFAOYSA-N
-rxn:4:213066:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,INBSMCGQEHIWTR-UHFFFAOYSA-N
-rxn:4:213067:222583,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,FUYKHKJPSXORKD-UHFFFAOYSA-N
-rxn:4:213079:222540,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)nc2)CC1,QNYWFVKTBFWNHG-UHFFFAOYSA-N
-rxn:4:213089:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(CN3CCC(COc4cnccn4)CC3)c2)cc1,HZSJKLSUEIQTTJ-UHFFFAOYSA-N
-rxn:4:213093:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C#N)c2)CC1,WBZQAJAMYKUXPI-UHFFFAOYSA-N
-rxn:4:213123:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4CC(=O)N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)c3)cccc12,LRXHNACLKVEHPA-UHFFFAOYSA-N
-rxn:4:213123:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,ZFWCSGOKPVLPEW-UHFFFAOYSA-N
-rxn:4:213124:223150,CC(C)CN(c1ncc(-c2ccnc(NCCN(C)C)c2)cc1[N+](=O)[O-])C1CCCCC1,KGUTUBZAZDLSIU-UHFFFAOYSA-N
-rxn:4:213126:223581,COC(=O)c1cccc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,XMGOPWSIXVHHAE-UHFFFAOYSA-N
-rxn:4:213127:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccnc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)cccc12,VUKLYHLXSJZJIW-UHFFFAOYSA-N
-rxn:4:213130:225975,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,ITZDHNBKAGTBJW-UHFFFAOYSA-N
-rxn:4:213138:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cnc2F)CC1,XABUEGPCZQMNPM-UHFFFAOYSA-N
-rxn:4:213145:222583,Cn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,AUVYDTDTQVYXJH-UHFFFAOYSA-N
-rxn:4:213152:224619,COc1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,GTXLACFHJDLJFO-UHFFFAOYSA-N
-rxn:4:213163:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)C5CCCC5)CC4)nc3)cc2F)CC1,GLCKOGHOVQTCFO-UHFFFAOYSA-N
-rxn:4:213167:222583,CC1CC(C)CN(c2oc(COc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)nc2C#N)C1,SJTQMWFPISGFGM-UHFFFAOYSA-N
-rxn:4:213169:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCCC4)nn3)cc2)cc1,MIKTVAHVJFFCCY-UHFFFAOYSA-N
-rxn:4:213172:222583,Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,JKRUBWIUVGEQFB-UHFFFAOYSA-N
-rxn:4:213185:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccccc5)cs4)CC3)o2)cc1,NKTKLDUAJPAMAC-UHFFFAOYSA-N
-rxn:4:213196:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)c1,DVIJPNPQMVLECI-UHFFFAOYSA-N
-rxn:4:213198:222424,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)nc1C,NEOVCRBZZFDPAS-UHFFFAOYSA-N
-rxn:4:213203:223505,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nn1,ZSWAZNBPODQINP-UHFFFAOYSA-N
-rxn:4:213207:222584,COc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c1,WBNBCMGTASDLDN-UHFFFAOYSA-N
-rxn:4:213211:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C3=NN(C(=O)c4ccccc4)C(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1,WVLHUHQPXHVYMZ-UHFFFAOYSA-N
-rxn:4:213216:227564,COc1ccc(Cl)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1OC,YGZBCBGLCFWXBE-UHFFFAOYSA-N
-rxn:4:213219:222927,CCN1CCN(c2ccc(-c3cnc(N4CCCCC4O)nc3C)c(C(=O)OC(C)(C)C)n2)CC1,UQOIDDTXAONXMQ-UHFFFAOYSA-N
-rxn:4:213240:222583,COc1ccccc1C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)=NN1C(=O)c1ccncc1,NUTRFUHHVFPSBB-UHFFFAOYSA-N
-rxn:4:213241:222583,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(C)c1S(=O)(=O)N(C)c1ccccc1,FCYAPUVWSVEFHQ-UHFFFAOYSA-N
-rxn:4:213242:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1,LKTJCUKKNODMFO-UHFFFAOYSA-N
-rxn:4:213243:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)ccc2F)CC1,DOYVSPFVLSURKG-UHFFFAOYSA-N
-rxn:4:213245:222583,CN(C(=O)Cn1nc(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)ccc1=O)C1CCCCC1,JJVKNWNWSCYSST-UHFFFAOYSA-N
-rxn:4:213247:225723,CN(C)CCOc1ccc(-c2cnn(CC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)c2)cc1Cl,UKRCPIKGALSWON-UHFFFAOYSA-N
-rxn:4:213251:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(S(=O)(=O)N4CCCCC4)cnc3N(C)Cc3ccccc3)c2)CC1,GRBFGYGKZRICQT-UHFFFAOYSA-N
-rxn:4:213257:223279,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,VCYZJOAGCPSUCJ-UHFFFAOYSA-N
-rxn:4:213262:222424,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2)cc1,GFDOPGASCPIANJ-UHFFFAOYSA-N
-rxn:4:213263:222424,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)c3)CC2)cc1,HFUWKMWVJHRKCZ-UHFFFAOYSA-N
-rxn:4:213266:228337,CCOc1cc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)cn1,UBXKTSFXRLWMQE-UHFFFAOYSA-N
-rxn:4:213268:222867,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,KJMUCFAMQCXCGN-DFBJGRDBSA-N
-rxn:4:213268:225834,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(N5CCCCC5)ncc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,BLSFUMDWGSZMGD-DFBJGRDBSA-N
-rxn:4:213268:225977,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,VPSBOWWNOHKOPO-UUOWRZLLSA-N
-rxn:4:213269:223658,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,QKWYZACLMBKTCO-UHFFFAOYSA-N
-rxn:4:213275:224497,CCN1CCN(Cc2ccc(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)n3)cc2)CC1,ATJZLMJVRORZRU-UHFFFAOYSA-N
-rxn:4:213277:222808,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5cc(C(=O)NC(C)C)cc([N+](=O)[O-])c5)c4)no3)CC2)cc1,IMCNDOCUAPCAFQ-UHFFFAOYSA-N
-rxn:4:213278:223568,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)cc4)C3)n2)c1,HYVISMSWYOINOK-UHFFFAOYSA-N
-rxn:4:213279:222583,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,VFWOIRSAJRDWQH-UHFFFAOYSA-N
-rxn:4:213279:222633,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,MEUIEEJZEKDQBV-UHFFFAOYSA-N
-rxn:4:213281:225505,CCCCn1ncc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,DTOHXHGCGDCYEY-UHFFFAOYSA-N
-rxn:4:213281:227159,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2nccnc12,SDEUBAGSNVSDJJ-UHFFFAOYSA-N
-rxn:4:213281:227616,Cc1cnn(-c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)s2)c1,CRTPQFWNJLYVQW-UHFFFAOYSA-N
-rxn:4:213289:228468,Cc1c(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)cncc1[N+](=O)[O-],JZGISCHLUSKQBK-UHFFFAOYSA-N
-rxn:4:213292:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5C(=O)CC(N6CCN(CC=Cc7ccccc7)CC6)C5=O)cc4)c3)cccc12,IGIJOXHBKSFHFD-UHFFFAOYSA-N
-rxn:4:213292:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(N3C(=O)CC(N4CCN(CC=Cc5ccccc5)CC4)C3=O)cc2)c1,HMTFVDVBUNMGMY-UHFFFAOYSA-N
-rxn:4:213315:222583,C#CCn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)s2)sc2cc(S(N)(=O)=O)ccc21,XDWILBMHNKCQTR-UHFFFAOYSA-N
-rxn:4:213324:222633,C#CCn1c(=NC(=O)c2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)sc2cc(S(N)(=O)=O)ccc21,FQUQPSGRVGMQJY-UHFFFAOYSA-N
-rxn:4:213347:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CSc3nc4c(c(=O)n3-c3ccc([N+](=O)[O-])cc3)SCC4)cc2)cc1,YAXQWASCITVPIL-UHFFFAOYSA-N
-rxn:4:213354:224394,Cc1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1S(=O)(=O)N1CCOCC1,MFELSSOPEUAYLR-UHFFFAOYSA-N
-rxn:4:213361:222424,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,PJBUGFMXBIHHFO-UHFFFAOYSA-N
-rxn:4:213363:223790,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cncc(C6CCCN6C(=O)OC(C)(C)C)c5)c4)CC3)nc2c1,XVBDNBPIULUJAB-UHFFFAOYSA-N
-rxn:4:213415:227719,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(Cl)c(OC(F)F)c3)cc1)SCC2)N1CCCCCC1,IVQZPXCROJNSCR-UHFFFAOYSA-N
-rxn:4:213417:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4CC)cc2)CC1,BRTKUKPSDZNADX-UHFFFAOYSA-N
-rxn:4:213427:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)cc1,OQWXGLYIQHCIIS-UHFFFAOYSA-N
-rxn:4:213441:222684,O=C(Cn1ccc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,RZDMNJOBJWYFAK-UHFFFAOYSA-N
-rxn:4:213446:222583,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C(c3cc4ccc(C)cc4nc3Cl)C2)cc1,MUMIRZQTXMVZHS-UHFFFAOYSA-N
-rxn:4:213459:222583,COC(=O)CC[C@@H]1C=C(c2ccccn2)c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2-n2c(C)cnc21,GHBWVQZJJYATCM-MUUNZHRXSA-N
-rxn:4:213469:222583,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,HANCSJMWJNNRJP-SXLOSVNLSA-N
-rxn:4:213469:222684,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,OWAWKGWDPPDOOR-SXLOSVNLSA-N
-rxn:4:213469:224198,CCN1CCN(Cc2ccc(-c3ccc([C@@H]4[C@@H](C(=O)C(C)(C)C)N5c6ccccc6C=C[C@@H]5C4(C#N)C#N)c(F)c3)c(F)c2)CC1,VKNQIQBMBGGCRD-VATRIRCNSA-N
-rxn:4:213471:223279,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,TVGFMRXEEUMFPN-UHFFFAOYSA-N
-rxn:4:213604:222583,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,DBANJYNPTCDOFE-UHFFFAOYSA-N
-rxn:4:213622:223753,Cc1ccc(-c2ccc(Sc3cc(C(F)(F)F)nc(N(C)C)n3)cc2)cc1OCCCN1CCN(C)CC1,IDVPEMSWXBWEGH-UHFFFAOYSA-N
-rxn:4:213652:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cnsn3)C2)cc1S(=O)(=O)NC1CCCCC1,MOGOLKQDSOXFIK-UHFFFAOYSA-N
-rxn:4:213653:224659,CN1CCN(C(=O)c2cccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)c2)CC1,URNKMXDOELTFKD-UHFFFAOYSA-N
-rxn:4:213653:224660,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)cc2)CC1,TXQRXRVYFGBKOG-UHFFFAOYSA-N
-rxn:4:213653:225320,O=C(c1cncc(-c2ccc(N3CCOCC3)c(F)c2F)c1)N1CC(CN2C(=O)COC2=O)C1,MTFCXQFXGHAGHR-UHFFFAOYSA-N
-rxn:4:213664:222633,CCC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,VQVGCVKOPAUHIZ-UHFFFAOYSA-N
-rxn:4:213692:224976,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2cccc(N3CCCCC3)c2C#N)cn1,SLXKOEAXYSUKSY-UHFFFAOYSA-N
-rxn:4:213720:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc1,AYZGGIAHCHPTHU-UHFFFAOYSA-N
-rxn:4:213757:225080,COC(=O)C1CCc2cc(-c3cccc(CC4CCN(S(=O)(=O)N(C)C)C4)n3)ccc2O1,PUADCHBZKJXMTD-UHFFFAOYSA-N
-rxn:4:213765:222546,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)C1,VJKFLXDHZGCXCF-UHFFFAOYSA-N
-rxn:4:213789:225371,COC(=O)c1cc(-c2ccccc2C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cnc1C(F)(F)F,GEKASZLPOIBBKG-UHFFFAOYSA-N
-rxn:4:213805:225984,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,BYKARIPDFKDQBL-UHFFFAOYSA-N
-rxn:4:213813:222583,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,URLVTSWPKKKBQL-UHFFFAOYSA-N
-rxn:4:213818:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OC3CCN(C(=O)c4ccccc4)CC3)nc2)cc1,OLDKQWNXOSZTFT-UHFFFAOYSA-N
-rxn:4:213858:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCSCC5)n4)cc3)c(F)cc2C)CC1,LMWQQPUKZUKECC-UHFFFAOYSA-N
-rxn:4:213892:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,VVTABJRBLKIWPE-UHFFFAOYSA-N
-rxn:4:213892:225910,CCOc1cc(C(F)(F)F)ccc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,WGYQZLZGMSXGHR-UHFFFAOYSA-N
-rxn:4:213915:222583,N#Cc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1N1CCN(Cc2ccccc2)CC1,RWVREBBUJLRNAC-UHFFFAOYSA-N
-rxn:4:213917:222583,N#Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1N1CCN(Cc2ccccc2)CC1,VETVZLPLGMUPBT-UHFFFAOYSA-N
-rxn:4:213921:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])cc1,PCOYQLJYFIJPIL-UHFFFAOYSA-N
-rxn:4:213921:222696,O=C(c1cc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])ccc1F)N1CCC(O)CC1,ASXKIEHLAVCPIH-UHFFFAOYSA-N
-rxn:4:213923:223895,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])c(N4CCN(Cc5ccccc5)CC4)c3)cc2)CC1,RUFHQDVKXUUZKK-UHFFFAOYSA-N
-rxn:4:213925:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCCC4)n3)cc2)cc1,DAWDZRLLZBOCDL-UHFFFAOYSA-N
-rxn:4:213929:224679,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)o3)C2)n1,XVKGBDBDRJVXNX-UHFFFAOYSA-N
-rxn:4:213932:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CCO1)N1CCCC1,ANLLFLGYHSTFCR-UHFFFAOYSA-N
-rxn:4:213938:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)cc2)CC1,OYWPLLWIVHXGNN-UHFFFAOYSA-N
-rxn:4:213954:225381,O=C1C(N2CCC(Oc3ccncc3-c3ccc(C(F)(F)F)c(C(F)(F)F)c3)C2)CCN1C1CC1,JBLBBKCHFMEAKH-UHFFFAOYSA-N
-rxn:4:213956:222583,CC(c1ccccc1)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,ZLUQBIMYBUIUQW-UHFFFAOYSA-N
-rxn:4:213966:222583,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,ZBDZCSYFRUAYDH-UHFFFAOYSA-N
-rxn:4:213972:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cn1,IDXIKMPUELZJNY-UHFFFAOYSA-N
-rxn:4:213972:228694,CCN(C)c1csc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,HWSXAGKTNCVORY-UHFFFAOYSA-N
-rxn:4:213973:227472,CCCOc1ncc(Cl)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,RVIVDFNFCONLSV-UHFFFAOYSA-N
-rxn:4:213978:222424,CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)n2)CC1,HUQRSKAJJJLCQU-UHFFFAOYSA-N
-rxn:4:213991:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,ASRJUFVNPSDRRD-UHFFFAOYSA-N
-rxn:4:213992:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NIPKAZSVVMXZAL-UHFFFAOYSA-N
-rxn:4:213993:222424,CN1CCN(c2ncc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2C(=O)OC(C)(C)C)CC1,PAFQGZSSDWXPJF-UHFFFAOYSA-N
-rxn:4:214011:222524,Cc1nn(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c(C)c1S(=O)(=O)N1CCCC1,LGAQTHBOKARLCR-UHFFFAOYSA-N
-rxn:4:214011:225294,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N5CCCC5)c4C)cc3)cn2)CC1,UAVIAQGOYMMFGS-UHFFFAOYSA-N
-rxn:4:214018:222583,CC(=O)N1N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1c1ccc(N(C)C)cc1,SCCNSDKLVMFLHC-UHFFFAOYSA-N
-rxn:4:214018:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3=NN(C(C)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c1,FLMZAWSORIFNQM-UHFFFAOYSA-N
-rxn:4:214026:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,VUIBCDXGWXYNFH-UHFFFAOYSA-N
-rxn:4:214029:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1Cl,UKACZPUOTYPKQC-UHFFFAOYSA-N
-rxn:4:214033:223168,CC(C)[C@H]1COC(c2cc(-c3cccnc3N3CCNCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,JOOLAGLFJRPZJC-DHIUTWEWSA-N
-rxn:4:214033:227706,COc1cnc(C(F)F)c(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,ZKCJIOVDLBVQFP-WOJBJXKFSA-N
-rxn:4:214036:222583,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2S(C)(=O)=O)cc1,RFGBYRNOQMYGTC-UHFFFAOYSA-N
-rxn:4:214039:223960,CCN1CCN(C(=O)c2cc(-c3cc(C4SCCN4S(=O)(=O)c4c(C)nn(C)c4C)ccc3OC)ccc2F)CC1,UTRAQQJUDJQBDM-UHFFFAOYSA-N
-rxn:4:214051:222583,CC(C)c1sc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,TVQKTTPWOYHQOD-UHFFFAOYSA-N
-rxn:4:214054:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)c(F)c2)CC1,VTJBGFRITRDQJS-UHFFFAOYSA-N
-rxn:4:214067:222583,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)no3)CC2)cc1,RLLOGOUVBNKIHD-UHFFFAOYSA-N
-rxn:4:214073:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)cc2)cc1,AZZRGOKHMGNREX-UHFFFAOYSA-N
-rxn:4:214074:222583,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,BYXGTUSZNFZKOP-UHFFFAOYSA-N
-rxn:4:214080:222684,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)CC2)n1,SCZUHEGAZOEQRQ-UHFFFAOYSA-N
-rxn:4:214080:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)cc1Cl,WGKBCBQEPSBEDT-UHFFFAOYSA-N
-rxn:4:214081:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5=NC6(CCCCCC6)N(C(=O)c6ccc(Cl)c([N+](=O)[O-])c6)C5=S)cc4)c3)cccc12,AEVQQYJCXUUHBR-UHFFFAOYSA-N
-rxn:4:214084:222583,CN1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)oc2-c2ccc(Cl)cc2)CC1,POWRGTUCZIXKSW-UHFFFAOYSA-N
-rxn:4:214085:222583,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)N=C1C1CCCCC1,TXMQYSRHMQGOTH-UHFFFAOYSA-N
-rxn:4:214085:223755,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)N=C1C1CCCCC1,FJDFMSGTQLTDTQ-UHFFFAOYSA-N
-rxn:4:214096:222583,COC(=O)c1nn(CC(F)(F)F)c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc12,ZSESGOYABVKJHO-UHFFFAOYSA-N
-rxn:4:214147:226844,CC(C)(C)OC(=O)N1CCn2c(-c3ccnc(C(=O)C(F)(F)F)c3)nc(C(F)(F)F)c2C1,FQODJKMUJCYBDR-UHFFFAOYSA-N
-rxn:4:214153:224586,CC1CCN(Cc2ccc(F)cc2-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)CC1,NPQFHFDRPLDFCG-HXUWFJFHSA-N
-rxn:4:214159:222583,CN1CCc2nc(SCc3cccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)c(C#N)cc2C1,DNAJCCOMKAXBKW-UHFFFAOYSA-N
-rxn:4:214159:223686,CN1CCc2nc(SCc3cccc(-c4ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c4)c3)c(C#N)cc2C1,NUIQUSRULSPTBJ-UHFFFAOYSA-N
-rxn:4:214203:224077,CC(C)(C)[Si](C)(C)n1cc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)c2ccccc21,RTLYOBJQZMXXCM-UHFFFAOYSA-N
-rxn:4:214213:223812,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,RFAQLLSFBQCKDH-UHFFFAOYSA-N
-rxn:4:214230:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1,CYZWZPBMULPXNP-UHFFFAOYSA-N
-rxn:4:214231:225980,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(N5CCOCC5)ncc4F)cccc3n2)C1,LPLKITIUNVPEFP-UHFFFAOYSA-N
-rxn:4:214239:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3nc(N4CCN(C(=O)Cc5ccccc5)CC4)sc3c2)cc1,WFWZWXDWMCNDFO-UHFFFAOYSA-N
-rxn:4:214257:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5C6CCC5CN(C(=O)OC(C)(C)C)C6)nc4)c3)cccc12,KNYMIFKWEQDPQO-UHFFFAOYSA-N
-rxn:4:214273:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,XKVAZCIEHXOAEF-UHFFFAOYSA-N
-rxn:4:214273:225526,CCN(CC)C(=O)c1cccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,ZGLCEKYGKVONNQ-UHFFFAOYSA-N
-rxn:4:214303:223952,CC(C)N1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)nc3ccccn3c2=O)SC1=S,IGJAWWHHGWGUQW-UHFFFAOYSA-N
-rxn:4:214336:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCC(N(C)C6=NS(=O)(=O)c7ccccc76)CC5)cc4)c3)cccc12,RATSORGVUNLJQQ-UHFFFAOYSA-N
-rxn:4:214336:226522,CCOC(=O)c1cc(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)ccc1F,HUKQVGNNJGCAIM-UHFFFAOYSA-N
-rxn:4:214342:224323,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)c2ccccc2n1,FSONKJOHYQIQQP-UHFFFAOYSA-N
-rxn:4:214352:222583,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21,QRXHVSOCKWNLNK-UHFFFAOYSA-N
-rxn:4:214357:222583,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,FABBQGBLIKOCAM-UHFFFAOYSA-N
-rxn:4:214360:222424,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)ccc4n3C)cc2)C1,LZPAUSSCQSJQKP-UHFFFAOYSA-N
-rxn:4:214391:222424,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,LYUJKUVEESBANY-UHFFFAOYSA-N
-rxn:4:214584:222583,Cc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc([N+](=O)[O-])c1N=CN(C)C,MLNCFGSKYJSVCW-UHFFFAOYSA-N
-rxn:4:214622:223960,CCN1CCN(C(=O)c2cc(-c3ccc(N4CCC(C#N)CC4)c([N+](=O)[O-])c3)ccc2F)CC1,UXTYXBTVXIWTFQ-UHFFFAOYSA-N
-rxn:4:214663:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cnn(C)c3C(=O)N3CCCC(C(F)(F)F)C3)cc2C)c1,KMNQTCKISJERPW-UHFFFAOYSA-N
-rxn:4:214663:224484,CC(C)N(C(=O)c1ccccc1-c1cnn(C)c1C(=O)N1CCCC(C(F)(F)F)C1)C(C)C,AZRIWWOSKVCZBG-UHFFFAOYSA-N
-rxn:4:214709:224704,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cn2)CC1,IXEDVTOLEIBIRO-UHFFFAOYSA-N
-rxn:4:214716:224764,CCN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3F)c(F)cc2[N+](=O)[O-])CC1,PGIRLGXFQPUCCZ-UHFFFAOYSA-N
-rxn:4:214730:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,YNNMWSYZJWBNCO-UHFFFAOYSA-N
-rxn:4:214735:223601,COc1ccc(COc2ncc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2C(F)(F)F)cc1,VBCPMLNTTFLJPQ-UHFFFAOYSA-N
-rxn:4:214745:224672,CCN1CCN(c2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c(Cl)c2)CC1,TWYKJZIUNXVKRM-UHFFFAOYSA-N
-rxn:4:214751:222583,CC(C)N1CCN(c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2C#N)CC1,CKQGFGADKNZWTH-UHFFFAOYSA-N
-rxn:4:214775:222947,OC1CCCN(c2ncc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)c(Cl)n2)C1,HIZPDTVJKQWBGI-UHFFFAOYSA-N
-rxn:4:214780:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3CCC(c4nnc(C)s4)CC3)c2)CC1,DQDKPODUEOUZHV-UHFFFAOYSA-N
-rxn:4:214786:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)cc1,LQCJFUPILOWJIH-UHFFFAOYSA-N
-rxn:4:214829:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,IRDDCUNBQZHANY-UHFFFAOYSA-N
-rxn:4:214835:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,DINGRNPMWLUFAQ-UHFFFAOYSA-N
-rxn:4:214836:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,UTRWZNPFKNPWTB-UHFFFAOYSA-N
-rxn:4:214836:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,AHOHBDOHHKQUFY-UHFFFAOYSA-N
-rxn:4:214838:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,RRQGDMJDOPJAMP-UHFFFAOYSA-N
-rxn:4:214838:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,ZWUMVTOUKRZXDV-RZWCHVLBSA-N
-rxn:4:214839:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,MWUQFMRNXMRJIY-UHFFFAOYSA-N
-rxn:4:214839:225431,CCOc1ccc(C(C)(C)C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,BVXJJEUELGMALS-UHFFFAOYSA-N
-rxn:4:214839:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1C,NSHLALONXTVOAR-UHFFFAOYSA-N
-rxn:4:214853:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(N5CCN(C6CCCC6)CC5)c4C#N)c3)cccc12,MYLGWTJNLNSFOA-UHFFFAOYSA-N
-rxn:4:214854:225165,COc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)ccc1N1CCOCC1,QLYYCJVPUIOYPA-UHFFFAOYSA-N
-rxn:4:214855:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,RPRQWXMRIWTRDU-UHFFFAOYSA-N
-rxn:4:214856:222684,O=C(N1CCCC1)N1CCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,TXRRYJARNQSXQM-UHFFFAOYSA-N
-rxn:4:214858:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1S(=O)(=O)NC1CCCCC1,CXYQQQYWXDVIMJ-UHFFFAOYSA-N
-rxn:4:214862:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,QVSFSXXPUYDKRY-UHFFFAOYSA-N
-rxn:4:214872:224672,CCN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c(Cl)c2)CC1,KSDVJYKKZUIVHS-UHFFFAOYSA-N
-rxn:4:214872:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DLIOAGJXSUOGEB-UHFFFAOYSA-N
-rxn:4:214873:222965,CCCC(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,ASVDIBSKDAIUBZ-UHFFFAOYSA-N
-rxn:4:214874:222806,CCCNC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc([N+](=O)[O-])c1,VMNWRWABEGLGHR-UHFFFAOYSA-N
-rxn:4:214875:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,CSMJSSPFRCSOKJ-UHFFFAOYSA-N
-rxn:4:214875:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,DAYMDKSCONUASA-UHFFFAOYSA-N
-rxn:4:214886:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WEDWQGCZBLBYNU-UHFFFAOYSA-N
-rxn:4:214895:223755,Cc1c(N2C(=O)C(=Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C,OXLPKYDQHJDTOD-UHFFFAOYSA-N
-rxn:4:214897:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)CC(N5CCN(c6ccccc6)CC5)C4=O)cc3)cc2)CC1,GMNZYKVFELUFSA-UHFFFAOYSA-N
-rxn:4:214900:222943,CN1CCN(Cc2ccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2N2CCCCC2)CC1,FCUUHOMHRAMEEF-UHFFFAOYSA-N
-rxn:4:215153:223970,Cc1ccc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc1S(=O)(=O)N1CCC(C)CC1,YJTFAWGUSCCCFU-UHFFFAOYSA-N
-rxn:4:215216:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5nc(N6CCCC(C(=O)N7CCOCC7)C6)sc5c4)c3)cccc12,USNXIDMFZJOXEZ-UHFFFAOYSA-N
-rxn:4:215232:224672,CCN1CCN(c2ccc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c(Cl)c2)CC1,FCDPJYLVYLUHBR-UHFFFAOYSA-N
-rxn:4:215233:222583,CN1c2ccccc2N(C2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)S1(=O)=O,CUDHGOOBOVSSPG-UHFFFAOYSA-N
-rxn:4:215262:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)cc1,FDZPFQUMWQEXBG-UHFFFAOYSA-N
-rxn:4:215303:222583,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,SWDZQEJNVMVGNP-UHFFFAOYSA-N
-rxn:4:215373:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(C4(C(F)(F)F)N=N4)c(F)c3)c(F)cc2C)CC1,ZSBYEYRIAYQQLS-UHFFFAOYSA-N
-rxn:4:215740:224199,CC(=O)N1CCN(Cc2ccc(-c3cnn(C)c3C(=O)N3CCC(F)(F)C3)cc2)CC1,RBMISSFCSPUFDJ-UHFFFAOYSA-N
-rxn:4:215803:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1,TYAPKKCMOVVZHD-UHFFFAOYSA-N
-rxn:4:215818:223842,CC(=O)N1CCC(n2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,MHEJJICKBWHPOK-UHFFFAOYSA-N
-rxn:4:215828:222583,CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2[N+](=O)[O-])CCO1,LBLHCXAZECEAFC-UHFFFAOYSA-N
-rxn:4:215894:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([N+](=O)[O-])c(N4CCN(C)CC4)c3)c(F)c2)CC1,JODGFMDNNRMRLW-HZCBDIJESA-N
-rxn:4:215895:222583,CC1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2)CC1,HGALIFIMQIHKHM-UHFFFAOYSA-N
-rxn:4:215906:223755,CC1CCN(CCCOc2ccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)cc2F)CC1,YMVJZGGDCMYTHK-UHFFFAOYSA-N
-rxn:4:215926:223813,Fc1cc(-c2cc(N3CCCCC3)nc(C3CC3)n2)ccc1CN1CCC2(CC1)OCCO2,BYIQKTBRULXUBG-UHFFFAOYSA-N
-rxn:4:215968:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCCCC4C)nc(C4CC4)n3)cc2)CC1,WDGKQIZPJDQGRC-UHFFFAOYSA-N
-rxn:4:215981:222684,CC(C)(C)c1cc(N2CCCCC2)nc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)n1,WLSBVPSQXNCBQW-UHFFFAOYSA-N
-rxn:4:215988:224612,CC1CCCN(c2cc(C(C)(C)C)nc(-c3ccc(OCCN4CCOCC4)cc3)n2)C1,UDGKLMQRPIFDOW-UHFFFAOYSA-N
-rxn:4:216160:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cc3nc(N4CCOCC4)sc3cc2[N+](=O)[O-])cc1,AXSJIQLDKIOECJ-UHFFFAOYSA-N
-rxn:4:216204:223813,COc1ccc2c(n1)c(-c1ccc(CN3CCC4(CC3)OCCO4)c(F)c1)nn2C1CCCCO1,FJXAOTOHPXWGCF-UHFFFAOYSA-N
-rxn:4:216341:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(N3C(=O)CC(N4CCc5c([nH]c6ccccc56)C4)C3=O)cc2)ccn1,XZBPXZLBONXLFL-UHFFFAOYSA-N
-rxn:4:216354:222583,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc1C1CC(c3ccccc3)=NN12,WSCJGGLROFPSNL-UHFFFAOYSA-N
-rxn:4:216423:223504,Cn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1,GKENXROGCRXNDI-UHFFFAOYSA-N
-rxn:4:216891:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3n[nH]nc3[Si](C)(C)C)cc2[N+](=O)[O-])CC1,FEQXLYPIPKRTQV-UHFFFAOYSA-N
-rxn:4:217200:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c(C)n3)c2)CC1,UKLWFJATNBTPCZ-UHFFFAOYSA-N
-rxn:4:217200:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C)n3)cc2)CC1,ZNYMCAXMJZLPAO-UHFFFAOYSA-N
-rxn:4:217200:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(F)(F)CC3)c(C)n2)CC1,TUCAUDFFCCERLL-UHFFFAOYSA-N
-rxn:4:217202:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(C)C(=O)C2)c(C)c1,CWQPOGVTUHSCCT-UHFFFAOYSA-N
-rxn:4:217202:224011,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cnc1N1CCN(C)C(=O)C1,QWRNOPPSFQMJJZ-UHFFFAOYSA-N
-rxn:4:217203:223993,Cc1cc(N2CCN(C)C(=O)C2)ncc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,IVELUSVDKNTLMN-UHFFFAOYSA-N
-rxn:4:217203:223998,Cc1cc(N2CCN(C)C(=O)C2)ncc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,RCBKHPWMUYPKEW-UHFFFAOYSA-N
-rxn:4:217765:223528,Cc1nc(N2CCC2)c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,JOZIEDXFHCZKEN-UHFFFAOYSA-N
-rxn:4:217856:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2ncc(N3CCC(F)(F)C3)nc2c1,MUGBRXDTSFGDRQ-UHFFFAOYSA-N
-rxn:4:217857:223993,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)ccc1S(=O)(=O)N1CCN(C)CC1,HLGQFOJBLVADSZ-UHFFFAOYSA-N
-rxn:4:218579:222583,CCN1CCN(c2oc(COc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)nc2C#N)CC1,YXEGEZBNDCMXSF-UHFFFAOYSA-N
-rxn:4:218600:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnn(CCN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)cccc12,UTOZISAMSCVNJD-UHFFFAOYSA-N
-rxn:4:218604:224125,COc1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cn3)CC2)cn1,LMRYXTYPBMZCDN-UHFFFAOYSA-N
-rxn:4:218631:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OCC5CCN(C6CCN(CC(F)(F)F)C6=O)CC5)nc4)c3)cccc12,ZNJZSVYIMKOKGD-UHFFFAOYSA-N
-rxn:4:218642:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c2)cc1,KJMKNLXSOUQVAC-UHFFFAOYSA-N
-rxn:4:218652:226505,CC(C)COc1ncc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1Cl,IPWBTUWIZXJSMB-UHFFFAOYSA-N
-rxn:4:218655:224337,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cn2)CC1,CQVGEZSPDUSOEE-UHFFFAOYSA-N
-rxn:4:218666:223812,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)C2)nn1,BTIXKNQDCGPNGZ-UHFFFAOYSA-N
-rxn:4:218666:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cc2)CC1,UMBFSUGXSIZWQF-UHFFFAOYSA-N
-rxn:4:218684:223279,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,DEXQOEHJBDTZPK-UHFFFAOYSA-N
-rxn:4:218698:227334,CC(C)Oc1cc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)ccc1Cl,SOMAOGVNKJCZMA-UHFFFAOYSA-N
-rxn:4:218700:222424,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,PYHRISPGOFIONL-UHFFFAOYSA-N
-rxn:4:218700:222583,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,HTMQLMDTBJPSCO-UHFFFAOYSA-N
-rxn:4:218704:224719,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc3)n[nH]2)CC1,GPJWNIQCLLBSGW-UHFFFAOYSA-N
-rxn:4:218710:222583,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUBUFGLDEKEBID-UHFFFAOYSA-N
-rxn:4:218711:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc([N+](=O)[O-])ccc4N4CCC(N5CCN(C(=O)OC(C)(C)C)CC5)CC4)c3)cccc12,QHEHOIRGXDXJHW-UHFFFAOYSA-N
-rxn:4:218712:229027,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(Cl)c(C)c4)c3C)CC2)c(C)c1,YTHAVLRAMZEEOC-UHFFFAOYSA-N
-rxn:4:218768:225313,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(N2CCN(C)CC2)nc1F,YVFMHJHLTSWZEF-UHFFFAOYSA-N
-rxn:4:218787:223753,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,VNLDIAVKYBCPKM-UHFFFAOYSA-N
-rxn:4:218809:223753,Cc1ccc(-c2cnn(CC3CN(S(=O)(=O)c4ccccc4C#N)C3)c2)cc1OCCCN1CCN(C)CC1,AJATWTCOJRGOPS-UHFFFAOYSA-N
-rxn:4:218847:222583,COc1ncccc1C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,LJDRHCTZKFTCPX-UHFFFAOYSA-N
-rxn:4:218867:223133,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCNCC3)c2)no1,NOSNZYJUUVQTGO-UHFFFAOYSA-N
-rxn:4:218868:222583,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)no1,WTABYVOEQULTJR-UHFFFAOYSA-N
-rxn:4:218868:225654,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC(C)C4)nc3)cc2)no1,MCHIHBADJSKCKS-UHFFFAOYSA-N
-rxn:4:218868:226645,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2)no1,ISQQBLRIYXIABX-UHFFFAOYSA-N
-rxn:4:218875:222583,CN1CCN(c2oc(COc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)nc2C#N)CC1,ACXOHCWPBZXAAG-UHFFFAOYSA-N
-rxn:4:218876:222583,CN(C)c1cncc(OC2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)o3)C2)n1,ZHXIOGICANOBNA-UHFFFAOYSA-N
-rxn:4:218879:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc1,QIGLJBXMLXDEPW-UHFFFAOYSA-N
-rxn:4:218880:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5)CC4)nc3)cc2F)CC1,TUTGBAGMWAONAU-UHFFFAOYSA-N
-rxn:4:218881:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccncc4)C3)nc2)cc1OCCCN1CCN(C)CC1,NVMYLZSEXTZVQE-UHFFFAOYSA-N
-rxn:4:218885:222583,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,BXMYKAPAMVISAB-UHFFFAOYSA-N
-rxn:4:218888:223658,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cn2)C1,KPTUUYUMXYRAOX-UHFFFAOYSA-N
-rxn:4:218889:222583,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)no1,WQKFEBFECVBOSX-UHFFFAOYSA-N
-rxn:4:218895:223755,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)c3)C2)c1F,UOBKSGWFYHERJB-UHFFFAOYSA-N
-rxn:4:218896:222634,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,GUFJNMVXFHSNCH-UHFFFAOYSA-N
-rxn:4:218905:224257,Cc1nc(CN2CCCC(COc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4Cl)cn3)C2)co1,HUZLOTWVQOOLSP-UHFFFAOYSA-N
-rxn:4:218945:223294,CC(C)(C)OC(=O)N1CCN(c2c(-c3csc(N4CCNCC4)n3)cncc2[N+](=O)[O-])CC1,LXEBJAURPYCXGW-UHFFFAOYSA-N
-rxn:4:218946:222684,Cc1ccc(N2CC(N(C)C(=O)Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)nn1,HNHOQBHHBIPOGL-UHFFFAOYSA-N
-rxn:4:218948:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,GSXQXKWGTZYMGW-UHFFFAOYSA-N
-rxn:4:218951:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(Oc4ncc(OC)cn4)CC3)c(C(F)(F)F)c2)cc1,BIBXDZOCSYPYIH-UHFFFAOYSA-N
-rxn:4:218971:222583,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)s1,XRTOJODZCHVXPC-UHFFFAOYSA-N
-rxn:4:218972:222583,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)s1,SSTXSGRYEYXMNF-UHFFFAOYSA-N
-rxn:4:218976:226458,Cn1nc(C#N)c2cc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)ccc21,YXMMQPUZXFRULG-UHFFFAOYSA-N
-rxn:4:218992:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnn(CC5CN(C(=O)C6CCN(S(C)(=O)=O)CC6)C5)c4)c3)cccc12,DCIDTGRBRUQDLV-UHFFFAOYSA-N
-rxn:4:218993:222712,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cn3)CC2)s1,WVUXQFPBOMXFCZ-UHFFFAOYSA-N
-rxn:4:219001:223753,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)C2)C(=O)C1=O,KPJXXDPAVHBJJG-UHFFFAOYSA-N
-rxn:4:219001:227478,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cncc(C(OC)OC)c3)C2)C(=O)C1=O,ORLGIZHJCURZHR-UHFFFAOYSA-N
-rxn:4:219030:222583,CC(C)N1CCN(CCc2nc(-c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)no2)CC1,FIPSZYUICNIKHF-UHFFFAOYSA-N
-rxn:4:219034:222583,CN(C)c1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)c1,UIRJNYNHQLXGPJ-UHFFFAOYSA-N
-rxn:4:219043:222424,CC1CN(Cc2nn(C)cc2-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)CCN1C(=O)OC(C)(C)C,DAXQZTJOGVUVFP-UHFFFAOYSA-N
-rxn:4:219048:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc1,ZSUAMCXPYJSJLC-UHFFFAOYSA-N
-rxn:4:219050:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(-c2csc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)cc1,BSWTZTGWYBARNT-UHFFFAOYSA-N
-rxn:4:219053:223061,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(C5CCNCC5)ncc4F)c3)cn2)CC1,PINKOMLVIOUQFM-UHFFFAOYSA-N
-rxn:4:219072:226844,O=C(Cc1nnc(-c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)o1)N1CCN(C2CCCCC2)CC1,KCUZYSNLHMYZGP-UHFFFAOYSA-N
-rxn:4:219088:223901,CCCCn1c(=O)c2c(nc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)n2CC(C)=O)n(C)c1=O,BHDUDVYVFZENJK-UHFFFAOYSA-N
-rxn:4:219093:222918,CCC(=O)C1=C(c2ccc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)cc2)N(C(=O)CC)n2cnnc2S1,UCGMVCBCJBEEOU-UHFFFAOYSA-N
-rxn:4:219093:223786,CCC(=O)C1=C(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc2)N(C(=O)CC)n2cnnc2S1,UDIPDCARPWTVLP-UHFFFAOYSA-N
-rxn:4:219093:223983,CCC(=O)C1=C(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CC)CC3)cc2)N(C(=O)CC)n2cnnc2S1,PVSSTFNKCPOYBE-UHFFFAOYSA-N
-rxn:4:219093:224361,CCC(=O)C1=C(c2ccc(-c3ccc(OC)c(S(=O)(=O)N(CC)CC)c3)cc2)N(C(=O)CC)n2cnnc2S1,SCICWCBYYOEUHN-UHFFFAOYSA-N
-rxn:4:219093:224712,CCC(=O)C1=C(c2ccc(-c3ccc(C(OC(C)=O)OC(C)=O)cc3)cc2)N(C(=O)CC)n2cnnc2S1,HVIAXVNCUXNALJ-UHFFFAOYSA-N
-rxn:4:219100:222948,CC(=O)Cn1c(-c2cnc(N3CCC(O)CC3)nc2Cl)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,ZOQJCDJETXJDJZ-UHFFFAOYSA-N
-rxn:4:219144:222684,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,FQWNNICJVZANAW-UHFFFAOYSA-N
-rxn:4:219154:224253,CC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCN(c4ccccn4)CC3)c2)ccc1F,GVSFQOYSXNBCEH-UHFFFAOYSA-N
-rxn:4:219207:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)c(F)c2)CC1,LOTZNKGVGVVBQN-UHFFFAOYSA-N
-rxn:4:219245:222684,CC(C)(C)OC(=O)N1CC(n2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)C1,PYRPMMAZJSBYKD-UHFFFAOYSA-N
-rxn:4:219270:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(Cn2ccnn2)C1,ZEVYEPQARVAUSY-UHFFFAOYSA-N
-rxn:4:219353:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,UMCSXCMNUMQMKG-UHFFFAOYSA-N
-rxn:4:219372:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,XWVYSWOUQXUKSO-UHFFFAOYSA-N
-rxn:4:219403:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,KKVHWKLUFZOESK-UHFFFAOYSA-N
-rxn:4:219404:223895,CCN1CCN(CCOc2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1,MSBFMMQGJJYPGL-UHFFFAOYSA-N
-rxn:4:219407:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,WLWJLSWSTZRFSV-UHFFFAOYSA-N
-rxn:4:219414:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,NNVMCWGPSLQQFP-UHFFFAOYSA-N
-rxn:4:219437:222583,COc1ccccc1N1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2C#N)CC1,MCDMQLMBDFZMSO-UHFFFAOYSA-N
-rxn:4:219437:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ccccc5OC)CC4)c(C#N)c3)c2)CC1,QEASOXUGFWRVDG-UHFFFAOYSA-N
-rxn:4:219441:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)cc2)cc1,OLUMINSAOXTELD-UHFFFAOYSA-N
-rxn:4:219456:223649,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,SNAAMXRQFFGQLE-UHFFFAOYSA-N
-rxn:4:219469:224384,CSc1ncc(-c2ccc(-n3cc(C)cn3)cc2C(F)(F)F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WRNFYMQWDGLZQQ-UHFFFAOYSA-N
-rxn:4:219469:224388,CSc1ncc(-c2ccc(-n3ccnc3C)cc2C(F)(F)F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,ABTRCDSQHUMRPS-UHFFFAOYSA-N
-rxn:4:219469:224389,CSc1ncc(-c2ccc(-n3ccc(C)n3)cc2C(F)(F)F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,PYMQNXJZXNVHAB-UHFFFAOYSA-N
-rxn:4:219472:222583,COc1ccnc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,DTGUCMJDFXZWSR-UHFFFAOYSA-N
-rxn:4:219497:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)cc2)CC1,LYHVVFUMFRLKQP-UHFFFAOYSA-N
-rxn:4:219500:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,FOUCEKHBDGUYGV-UHFFFAOYSA-N
-rxn:4:219501:228353,CSc1ncc(-c2cnc(N(C)C)c(Cl)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,YTGVCYXJEHESAJ-UHFFFAOYSA-N
-rxn:4:219519:222583,Cc1ccnc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,BYUGNGAHSFISKC-UHFFFAOYSA-N
-rxn:4:219520:222583,Cc1cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)ncn1,QTDWQCHQNGXEBH-UHFFFAOYSA-N
-rxn:4:219533:224003,CSc1ncc(-c2cnc(Cl)c(-c3cccc(C(F)(F)F)c3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,VWGSNRBZGGTSGF-UHFFFAOYSA-N
-rxn:4:219538:223779,N#Cc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,OGGFDYCEDVRFGN-UHFFFAOYSA-N
-rxn:4:219543:222719,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)CC2)n1,FZINEXRDOOHOSA-UHFFFAOYSA-N
-rxn:4:219545:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)c(F)c2)CC1,ZAOMCSJWQHUWTC-UHFFFAOYSA-N
-rxn:4:219566:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3cc(N4CCCN(C(=O)c5ccccc5)CC4)[nH]n3)cc2)cc1,CKFZOTZUIXUCEZ-UHFFFAOYSA-N
-rxn:4:219569:224196,CCN1CCN(Cc2cc(F)cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)c2)CC1,OTZACVOMQKPAFO-UHFFFAOYSA-N
-rxn:4:219620:223696,CS(=O)(=O)c1cccc2sc(N3CC(Cn4cc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cn4)C3)nc12,OWPNCSYHUZHEBB-UHFFFAOYSA-N
-rxn:4:219624:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)CC1,NBALAXFHUUSDOI-UHFFFAOYSA-N
-rxn:4:219639:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)CC1,MJNGQCIWFNIHAX-UHFFFAOYSA-N
-rxn:4:219649:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)ccc2F)CC1,NPAIUMHTPJDFAK-UHFFFAOYSA-N
-rxn:4:219653:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,YCTGQKIDDIMOBZ-UHFFFAOYSA-N
-rxn:4:219667:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,HBXUVIBDDIEPKN-UHFFFAOYSA-N
-rxn:4:219679:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c2)cc1,TZQRWWANKRIARR-UHFFFAOYSA-N
-rxn:4:219696:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6n5C)CC4)o3)cc2)CC1,YMVJXZCPUDBLGA-UHFFFAOYSA-N
-rxn:4:219743:224666,CC(C)c1sc(-c2ccc(F)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VVSONEGGXFAVKG-UHFFFAOYSA-N
-rxn:4:219749:222583,CC(C)c1nn(Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(=O)c2c1cnn2C(C)(C)C,SLJWPJDPIPAKRB-UHFFFAOYSA-N
-rxn:4:219775:222583,Cc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)c4cc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)ccc4n3)CC2)cc1,MXVORWSHEDYQIK-UHFFFAOYSA-N
-rxn:4:219780:223279,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C6CCCN6)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SKVRNJADYKBCPR-UHFFFAOYSA-N
-rxn:4:219780:226236,CCCCOc1ncc(C)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,UXCLABBWOSUCGH-UHFFFAOYSA-N
-rxn:4:219784:222583,CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,WPWGKYRJZYBXJR-UHFFFAOYSA-N
-rxn:4:219867:222430,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2[N+](=O)[O-])CC1,NFQCUEJKJQFVQV-UHFFFAOYSA-N
-rxn:4:219878:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)ccc(F)c2s1,PYFWBZRMVJNZEK-UHFFFAOYSA-N
-rxn:4:219882:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1,SVJNZWMPDDUEQU-UHFFFAOYSA-N
-rxn:4:219908:223753,Cc1ccc(-c2ccc(-c3nc(C#N)c(N4CCCN(C)CC4)o3)o2)cc1OCCCN1CCN(C)CC1,XOUFOMXRKRJOIS-UHFFFAOYSA-N
-rxn:4:219959:226485,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1Cl,DAGKZADTDFNDMB-UHFFFAOYSA-N
-rxn:4:219988:222430,O=C(C1CCCN(c2ncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cn2)C1)N1CCOCC1,ZFNBGTCMIULEDO-UHFFFAOYSA-N
-rxn:4:220131:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)cn1,SIUTZWCKPQGPOF-UHFFFAOYSA-N
-rxn:4:220158:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)c2)CC1,AKXAMKVIYWRQRD-UHFFFAOYSA-N
-rxn:4:220158:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,QAUHXMSCHCEPLR-UHFFFAOYSA-N
-rxn:4:220162:226353,COc1cc(C2CC2)cc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c1Cl,KCEJGOGJBVVIMQ-UHFFFAOYSA-N
-rxn:4:220164:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(c5nnc6ccccn56)CC4)cc3)cc2F)CC1,RYAPUXZACUJZMS-UHFFFAOYSA-N
-rxn:4:220194:222424,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)c(C)c4)C3C2=O)cc1,HRWFBZHQTHLMHX-UHFFFAOYSA-N
-rxn:4:220194:222540,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c(C)c4)C3C2=O)cc1,NATAEZNRVAJWDN-UHFFFAOYSA-N
-rxn:4:220194:222583,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)c(C)c4)C3C2=O)cc1,OKRKTSCKRGUMMQ-UHFFFAOYSA-N
-rxn:4:220194:223753,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c(C)c4)C3C2=O)cc1,DHHDTJYRSUTYKB-UHFFFAOYSA-N
-rxn:4:220204:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)CC1,HPNZAESOOYVVDO-UHFFFAOYSA-N
-rxn:4:220223:222633,CC1CCN(C(=O)c2nnn3c2COC(c2ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc2)C3)CC1,MXQLUXOGZNHTPX-UHFFFAOYSA-N
-rxn:4:220240:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4noc(-c5cn(C)c6cc(N7CCCCC7)c(F)cc6c5=O)n4)cc3)cc2F)CC1,BNCXEDPXXDVLRD-UHFFFAOYSA-N
-rxn:4:220243:222633,CC1CCN(c2cc3c(cc2F)c(=O)c(-c2nc(-c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)no2)cn3C)CC1,MQJZXBBPITVCPL-UHFFFAOYSA-N
-rxn:4:220394:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(C)CC4)c(C#N)c3)c2)CC1,VYXNDVZGPULPQE-UHFFFAOYSA-N
-rxn:4:220405:223985,COc1ccc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)cc1S(=O)(=O)N1CCCCC1,JZOYTFBZJDGQOU-UHFFFAOYSA-N
-rxn:4:220405:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(N5CCOC5=O)C4)nc3)c2)CC1,AXJSWJVHWKJRHZ-UHFFFAOYSA-N
-rxn:4:220405:224825,CON(C)C(=O)c1cc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)cc([N+](=O)[O-])c1,OEPNTURUPMCWBH-UHFFFAOYSA-N
-rxn:4:220414:224751,Cc1c(-c2ccc(F)c(C(=O)N3CCOCC3)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],HKFPCUSWDUQTGJ-UHFFFAOYSA-N
-rxn:4:220533:225053,CC1CCCCN1c1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)c(F)c1,MPAZTSRDEPWAAQ-UHFFFAOYSA-N
-rxn:4:220540:222583,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)C3C2=O)c1,LKSOLTBYVDBDRJ-UHFFFAOYSA-N
-rxn:4:220544:222424,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)c(C)c4)C3C2=O)cc1F,WGWFIZYXVAIWGR-UHFFFAOYSA-N
-rxn:4:220546:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)cc1,RGWRRBMZUXYLQE-UHFFFAOYSA-N
-rxn:4:220547:222583,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)c(C)c4)C3C2=O)c1,QOSXHEGQWZWRML-UHFFFAOYSA-N
-rxn:4:220946:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncc(N5CCN(C)CC5)nc4c3)c(F)cc2C)CC1,YKIUQHFHXRCEPA-UHFFFAOYSA-N
-rxn:4:221097:223541,Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cn2)C1,IGGXFVKZEYEUKJ-UHFFFAOYSA-N
-rxn:4:221098:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OCC5CCN(C(=O)c6cn(C)nc6C(F)F)CC5)nc4)c3)cccc12,ULGRLLXYPBOQSC-UHFFFAOYSA-N
-rxn:4:221098:222583,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)c(C(F)F)n1,NXCIVLBILXJWBT-UHFFFAOYSA-N
-rxn:4:221100:222633,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,XKXAVBKNRWNOHV-UHFFFAOYSA-N
-rxn:4:221109:222583,Cc1ccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2C(=O)CSc2nncn2C)cc1,JDXYBYFYSFKBPD-UHFFFAOYSA-N
-rxn:4:221110:222632,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)CC2)CC1,JJXBJZBGBIXDFK-UHFFFAOYSA-N
-rxn:4:221110:229052,CCCn1nccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,BQHSSMJNNAQPKH-UHFFFAOYSA-N
-rxn:4:221121:222468,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(NC(=O)OC(C)(C)C)ccc6c5)ccc43)CC2)CC1,DNEMXMIZDZNMHP-UHFFFAOYSA-N
-rxn:4:221121:222500,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(=O)NCc6ccc(F)cc6)ccc5F)ccc43)CC2)CC1,FZXYWSIPLVATIH-UHFFFAOYSA-N
-rxn:4:221121:222560,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCc6ccccc6)cc5F)ccc43)CC2)CC1,IUQGNAHRVKCPHQ-UHFFFAOYSA-N
-rxn:4:221121:222607,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC6CCN(S(C)(=O)=O)CC6)cc5)ccc43)CC2)CC1,ARJZFEMODHGIQG-UHFFFAOYSA-N
-rxn:4:221121:222609,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)Nc6ccc(F)cc6)cc5)ccc43)CC2)CC1,CDLDCVSRTSWBJF-UHFFFAOYSA-N
-rxn:4:221121:222827,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(S(=O)(=O)NC6CC6)cc5F)ccc43)CC2)CC1,VCCLCMCLCPCRGX-UHFFFAOYSA-N
-rxn:4:221121:222871,CC(C)CNC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,UYTAWHKVPXYSAX-UHFFFAOYSA-N
-rxn:4:221121:222900,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5csc(CNC(=O)OC(C)(C)C)c5)ccc43)CC2)CC1,ZUWNHBCEVCNWDU-UHFFFAOYSA-N
-rxn:4:221121:223091,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(NC(=O)OC(C)(C)C)s5)ccc43)CC2)CC1,XXHCGUNXJKRRKI-UHFFFAOYSA-N
-rxn:4:221121:223109,CC(NC1CC1)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ZNPPCPFBUFJHQP-UHFFFAOYSA-N
-rxn:4:221121:223159,CCNC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,OGIUOSFHTWSFLG-UHFFFAOYSA-N
-rxn:4:221121:223189,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NS(C)(=O)=O)cc5F)ccc43)CC2)CC1,MPVFDPHDGHFRPF-UHFFFAOYSA-N
-rxn:4:221121:223321,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c2cn[nH]c12,FLJNRLPGCRMLEL-UHFFFAOYSA-N
-rxn:4:221121:223444,CNc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccn1,FVPXKDHUJFCGEJ-UHFFFAOYSA-N
-rxn:4:221121:223505,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)ccc43)CC2)CC1,QKSJAFLRSFGHME-UHFFFAOYSA-N
-rxn:4:221121:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c3ccccc23)CC1,PKTWVHQHNIJSTO-UHFFFAOYSA-N
-rxn:4:221121:223576,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OC6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)CC1,JKLXGMVICWHNSA-UHFFFAOYSA-N
-rxn:4:221121:223649,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)CC1,SUPYKQUXLSVWMX-UHFFFAOYSA-N
-rxn:4:221121:223657,Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c3cnccc32)cc1,IZTXLHCUBXTTAI-UHFFFAOYSA-N
-rxn:4:221121:223721,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COc6cccc7ccccc67)c5)ccc43)CC2)CC1,RQVKMWRDOMDUPQ-UHFFFAOYSA-N
-rxn:4:221121:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,MUOGNMBJMVUJAW-UHFFFAOYSA-N
-rxn:4:221121:224225,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6cccc(Cl)c6)cc5F)ccc43)CC2)CC1,GVZCZVIVFXORHN-UHFFFAOYSA-N
-rxn:4:221121:224298,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)ccc43)CC2)CC1,DMYZFMMOOPFAIF-UHFFFAOYSA-N
-rxn:4:221121:224333,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cc(C(F)(F)F)ccn6)c5)ccc43)CC2)CC1,IYOMWVNUDOKWJJ-UHFFFAOYSA-N
-rxn:4:221121:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,RTBGKBVJKUUPOE-UHFFFAOYSA-N
-rxn:4:221121:224482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCCN6CCCC6)c5)ccc43)CC2)CC1,DKMZJMUSBGIEQZ-UHFFFAOYSA-N
-rxn:4:221121:224556,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6ccccc6)c5Cl)ccc43)CC2)CC1,MUZDIYBQFZJHAG-UHFFFAOYSA-N
-rxn:4:221121:225098,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCCC6)nc5)ccc43)CC2)CC1,JXHJEZDKECSJQW-UHFFFAOYSA-N
-rxn:4:221121:225138,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccn(-c6ccnc(C7CC7)c6)n5)ccc43)CC2)CC1,UXCMSPGQHABZEX-UHFFFAOYSA-N
-rxn:4:221121:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,PDOZXMHNHCDBLR-UHFFFAOYSA-N
-rxn:4:221121:225308,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)cc(C6CC6)c5Cl)ccc43)CC2)CC1,DXOVTRCGXPTAEJ-UHFFFAOYSA-N
-rxn:4:221121:225521,CCCCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OC,IZPTZFNPCBRYPC-UHFFFAOYSA-N
-rxn:4:221121:226082,COc1ccc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2c1,HLMCDRDTFWVEJA-UHFFFAOYSA-N
-rxn:4:221121:226207,COc1cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2cn1,AFUDXAHREOECOF-UHFFFAOYSA-N
-rxn:4:221121:226231,CCCCOc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,TXZFIWBMTIHEEX-UHFFFAOYSA-N
-rxn:4:221121:226259,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,WPJRKKKYBXVPAP-UHFFFAOYSA-N
-rxn:4:221121:226419,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCC6)cc5Cl)ccc43)CC2)CC1,JQMJIKNFXUWCTR-UHFFFAOYSA-N
-rxn:4:221121:226423,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(N6CCCC6)c5)ccc43)CC2)CC1,MIWOERVTZHQDAO-UHFFFAOYSA-N
-rxn:4:221121:226440,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)nc(C6CCCC6)c5)ccc43)CC2)CC1,NOFSUMQHDRVSPK-UHFFFAOYSA-N
-rxn:4:221121:226447,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C6CCOCC6)c5)ccc43)CC2)CC1,VFEBTZNYKAFAKN-UHFFFAOYSA-N
-rxn:4:221121:226747,CCc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)(F)F,DMXRAWAWCMARAV-UHFFFAOYSA-N
-rxn:4:221121:226839,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)ncc5C#N)ccc43)CC2)CC1,WPGMQLBCZHTONV-UHFFFAOYSA-N
-rxn:4:221121:226861,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(F)(F)F)c(F)c5)ccc43)CC2)CC1,JDCBMJUTRSTLGY-UHFFFAOYSA-N
-rxn:4:221121:227135,CCn1ncc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc21,FNDUWMYXUZBYIS-UHFFFAOYSA-N
-rxn:4:221121:227136,CCn1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cnc21,AHSAXLWKBCRNMU-UHFFFAOYSA-N
-rxn:4:221121:227175,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(Cl)nccc6c5)ccc43)CC2)CC1,ZHKVLUOKTOOTEO-UHFFFAOYSA-N
-rxn:4:221121:227221,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCCF)c5)ccc43)CC2)CC1,NTRAMFZWQQGJII-UHFFFAOYSA-N
-rxn:4:221121:227303,CN(C)Cc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,XLFVMQWSMYUCNK-UHFFFAOYSA-N
-rxn:4:221121:227357,CCC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,BSJJTSUBTXYHAR-UHFFFAOYSA-N
-rxn:4:221121:227488,CSCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,OGCFJCTYEFDTEB-UHFFFAOYSA-N
-rxn:4:221121:227507,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C=C[N+](=O)[O-])c5)ccc43)CC2)CC1,GPATYSDTIUPTHP-UHFFFAOYSA-N
-rxn:4:221121:228033,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6ncn(C)c6c5)ccc43)CC2)CC1,QZZCHIBLBVQBGF-UHFFFAOYSA-N
-rxn:4:221121:228091,CCN(CC)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,SMLBFJQDLIRSKD-UHFFFAOYSA-N
-rxn:4:221121:228284,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc6nn(C)cc6c5)ccc43)CC2)CC1,MXESBJLQPKKBIA-UHFFFAOYSA-N
-rxn:4:221121:228490,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(S(=O)(=O)F)c5)ccc43)CC2)CC1,SNLIYEHUXZXAKL-UHFFFAOYSA-N
-rxn:4:221121:228707,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(C(C)(C)C)c5)ccc43)CC2)CC1,LGJJXMUMIMZWOC-UHFFFAOYSA-N
-rxn:4:221121:229136,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(Cl)c5)ccc43)CC2)CC1,RAJASYYQCPPZEP-UHFFFAOYSA-N
-rxn:4:221130:222583,COc1ccccc1N1CCN(C(=O)CSc2nc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3c3nc4ccccc4n23)CC1,BSFOLPIDVOSETC-UHFFFAOYSA-N
-rxn:4:221133:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OC3CCN(C(=O)Cn4cccn4)C3)nc2)cc1,TWMNAMFLXXIVTF-UHFFFAOYSA-N
-rxn:4:221133:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)Cn5cccn5)C4)nc3)cc2)CC1,ZMPZIZLLAQWDEB-UHFFFAOYSA-N
-rxn:4:221144:222583,CN(Cc1cccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1)C1CN(c2nccnc2C#N)C1,MAADCAZIWBKTLY-UHFFFAOYSA-N
-rxn:4:221167:222583,COc1cc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)ncn1,USOMVPTVIURQJJ-UHFFFAOYSA-N
-rxn:4:221171:222583,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)c1F,YWRAFUMXSCUXGD-UHFFFAOYSA-N
-rxn:4:221173:225274,COCCOc1c(F)cc(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c(C)c1F,AGBKDUMXWUXRGA-UHFFFAOYSA-N
-rxn:4:221173:225898,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)ccc1=O,JHRQRAAMVCTPKB-UHFFFAOYSA-N
-rxn:4:221175:222633,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)C(=O)C1=O,RCMOATMERBFGKS-UHFFFAOYSA-N
-rxn:4:221175:227478,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(C(OC)OC)c4)cn3)C2)C(=O)C1=O,FEWKCYMDVKOQGE-UHFFFAOYSA-N
-rxn:4:221175:227580,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(OC)cc4Cl)cn3)C2)C(=O)C1=O,BPCYYXTYXJKSGN-UHFFFAOYSA-N
-rxn:4:221175:227747,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)cc4C(F)(F)F)cn3)C2)C(=O)C1=O,MZKAQDQZTZWQGA-UHFFFAOYSA-N
-rxn:4:221175:228251,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(OC)cc4Cl)cn3)C2)C(=O)C1=O,CFNQJAOFNSMLGX-UHFFFAOYSA-N
-rxn:4:221175:228254,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4C)cn3)C2)C(=O)C1=O,SPFXNHGKFZMUNL-UHFFFAOYSA-N
-rxn:4:221175:228281,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)cc(Cl)c4C)cn3)C2)C(=O)C1=O,SLBRZNFBCFOCIV-UHFFFAOYSA-N
-rxn:4:221175:228699,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(N(C)C)c4)cn3)C2)C(=O)C1=O,MVHAOBLKFCSDSH-UHFFFAOYSA-N
-rxn:4:221175:228797,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(Cl)c4)cn3)C2)C(=O)C1=O,NDIVKXLCMOARJC-UHFFFAOYSA-N
-rxn:4:221186:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCC(CN(C)c6cc(C(F)(F)F)ccn6)CC5)nc4)c3)cccc12,MJQUXTILXCVVQU-UHFFFAOYSA-N
-rxn:4:221193:227917,CCc1ccc(OC)c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1,GQOYYNKFNAORGL-UHFFFAOYSA-N
-rxn:4:221194:223227,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)NC5CC5)s4)cn3)CC2)cn1C,FWNKWCVSPVDVGZ-UHFFFAOYSA-N
-rxn:4:221194:226661,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(N5CCN(C)CC5)cs4)cn3)CC2)cn1C,QAWWOAUJLZLAAH-UHFFFAOYSA-N
-rxn:4:221197:224248,CC1CCN(C(=O)c2ccc(-c3cccc(N4CC(C(=O)N5CC(c6nc(-c7ccncc7)no6)C5)CC4=O)c3)cc2Cl)CC1,PZWPJEQJLURPTF-UHFFFAOYSA-N
-rxn:4:221203:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1,CBYZROLPWZFQKK-UHFFFAOYSA-N
-rxn:4:221205:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CCN5CCN(c6ccnc(N7CCOCC7)n6)CC5)cc4)c3)cccc12,AVZUNSKVYBHNLL-UHFFFAOYSA-N
-rxn:4:221205:224691,O=C(c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1)N1CC2(COC2)C1,XONZSWZLUYMUMT-UHFFFAOYSA-N
-rxn:4:221205:225428,CCCCC(=O)c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c(C)c1,PVJGSXWGOQYUDF-UHFFFAOYSA-N
-rxn:4:221207:222583,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,GEEGFMUYHYUHKU-UHFFFAOYSA-N
-rxn:4:221208:223999,Cc1cc(N2CCN(CCc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2)nc(N2CCOCC2)n1,VWASKIXMNRVEKW-UHFFFAOYSA-N
-rxn:4:221230:223753,Cc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)cc1OCCCN1CCN(C)CC1,PEIOHZDFORJBMC-UHFFFAOYSA-N
-rxn:4:221240:222633,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C1)CCC2,ACILWGNYBXNMFF-UHFFFAOYSA-N
-rxn:4:221247:223800,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4)cc3)nc2n(C)c1=O,ZUQYJOKWPCBNAC-UHFFFAOYSA-N
-rxn:4:221268:222684,CCOCCn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)c(C)c(C)n23)n(C)c1=O,WGXCWEIXGVIVPW-UHFFFAOYSA-N
-rxn:4:221365:222583,Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,FKWGSJOYGDFFCZ-UHFFFAOYSA-N
-rxn:4:221373:222634,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,ZYNKDMOCNJHUOH-UHFFFAOYSA-N
-rxn:4:221379:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cc2)CC1,LZFCLUBNFJOPNL-SOAUALDESA-N
-rxn:4:221381:222540,Cc1nc(N2CCN(C(=O)c3cncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)CC2)cc(C(F)(F)F)n1,HWUXRBHMPAMVBF-UHFFFAOYSA-N
-rxn:4:221387:223671,Cc1ncnc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,BORJCZIWIKBBDV-UHFFFAOYSA-N
-rxn:4:221390:222583,COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,PMQOTTNJFKCEFZ-UHFFFAOYSA-N
-rxn:4:221395:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)c1,ZFUWGJLPYWKKGN-UHFFFAOYSA-N
-rxn:4:221395:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1,WJHYJTXJKVQKRJ-UHFFFAOYSA-N
-rxn:4:221401:222583,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)CC2)n1,SWAHDRGGAKQTMN-UHFFFAOYSA-N
-rxn:4:221410:222583,CN(C)c1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)ncn1,KSQBNXTZOQEMAM-UHFFFAOYSA-N
-rxn:4:221411:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)c2)CC1,KOXMXOQGRXRTCW-UHFFFAOYSA-N
-rxn:4:221413:225999,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c([N+](=O)[O-])c1,SQJOGEMXQBKNDQ-UHFFFAOYSA-N
-rxn:4:221415:222540,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)n1,PUPTWPLTTJAWLS-UHFFFAOYSA-N
-rxn:4:221415:222583,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,VJWJVDHXAGBAPX-UHFFFAOYSA-N
-rxn:4:221415:226429,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(C)C5)s4)cc3)CC2)n1,DTYYEENJYNMRKQ-UHFFFAOYSA-N
-rxn:4:221422:225979,O=C(c1cc(-c2cnc(N3CCOCC3)c(Cl)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IKFRWLYRNLMYEK-UHFFFAOYSA-N
-rxn:4:221432:225312,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(N5CCCN(C)CC5)nc4)c3)CC2)n1,JMJIBEIAZRFDED-UHFFFAOYSA-N
-rxn:4:221436:225902,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1F,ZQAWDEFBAYNEFR-UHFFFAOYSA-N
-rxn:4:221440:227360,CCC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,ZKZZYOUAAAOECX-UHFFFAOYSA-N
-rxn:4:221446:223169,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cnc(C5CCNCC5)nc4)cc3)CC2)n1,VVJZVQZREITTOG-UHFFFAOYSA-N
-rxn:4:221447:222742,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VOMBULQXRKDTBE-UHFFFAOYSA-N
-rxn:4:221447:223162,CNC(=O)c1ccc(OC)c(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,OXKVGPOXUZDZOQ-UHFFFAOYSA-N
-rxn:4:221447:224275,Cc1cc(N2CCN(Cc3ccc(-c4nn(C(=O)OC(C)(C)C)c5ccccc45)cc3)CC2)nc(N2CCOCC2)n1,XXUDTKGAMBPAER-UHFFFAOYSA-N
-rxn:4:221447:225830,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCCCC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,ZQKHDUDILARMAO-UHFFFAOYSA-N
-rxn:4:221447:226018,CSc1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1OC(F)(F)F,GZLWSHVNKPLHSW-UHFFFAOYSA-N
-rxn:4:221447:226900,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)cc3)CC2)nc(N2CCOCC2)n1,QRQYSEXXDTYTEU-UHFFFAOYSA-N
-rxn:4:221449:223239,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,HECGAVJVJHUPBW-UHFFFAOYSA-N
-rxn:4:221449:227086,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCC5)c4)cc3)CC2)n1,SGDRCFWGEUNDPV-UHFFFAOYSA-N
-rxn:4:221456:222633,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)n1,BYQCKMUHJOLOIU-UHFFFAOYSA-N
-rxn:4:221456:223279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YMQJKCMGOSOPEA-UHFFFAOYSA-N
-rxn:4:221492:222633,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)o4)CC3)n2n1,IJXCOBZFRIUXEY-UHFFFAOYSA-N
-rxn:4:221495:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3[nH]cc(C(=O)C(=O)N4CCN(c5ncccn5)CC4)c3c2)cc1,ALCMYOYUMQGJTD-UHFFFAOYSA-N
-rxn:4:221520:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c2nc(Cl)ccc21,QEKAYRGISQIMJH-UHFFFAOYSA-N
-rxn:4:221528:222633,CC(C)c1sc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,AWYDWDZFQMEZBT-UHFFFAOYSA-N
-rxn:4:221538:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,IOUNEBSKXHWWMV-UHFFFAOYSA-N
-rxn:4:221550:223812,CCCCn1c(=O)c2c(nc3n(-c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)c(C)cn23)n(C)c1=O,UXPZNMNZLGLNSZ-UHFFFAOYSA-N
-rxn:4:221639:223904,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)cn3)CC2)n1,AKUMFROYFYMEFA-UHFFFAOYSA-N
-rxn:4:221721:222602,CC(C)Cc1cc(-c2cnc(N3CCC(Cn4cnc5ccccc5c4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,VESNEMIUWULUJB-UHFFFAOYSA-N
-rxn:4:221726:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCC(N(C)C6=NS(=O)(=O)c7ccccc76)CC5)nc4)c3)cccc12,HLXWQYXWRLBDMJ-UHFFFAOYSA-N
-rxn:4:221727:222632,O=C(NCCN1CCCC1)c1cccc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)c1,AZENETLQRMPEJB-UHFFFAOYSA-N
-rxn:4:221727:222633,O=C(NCCN1CCCC1)c1ccc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)cc1,WFSDMULTVSQGIM-UHFFFAOYSA-N
-rxn:4:221728:223753,Cc1ccc(-c2ccc3nc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)sc3c2)cc1OCCCN1CCN(C)CC1,ISBVUNJFBKVTDM-UHFFFAOYSA-N
-rxn:4:221742:222584,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,XKWPPVGSOMNFAJ-UHFFFAOYSA-N
-rxn:4:221745:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)c1F,XTNBSGUXXHLBGY-UHFFFAOYSA-N
-rxn:4:221745:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCCCCC4)c4sccc45)cc3)cc2)CC1,QUYUVFRJACUWEJ-UHFFFAOYSA-N
-rxn:4:221761:223637,Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,DISDALIQORLVKM-UHFFFAOYSA-N
-rxn:4:221780:222583,Cn1c(=O)n(Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,XOWZOEMHQYVBLC-UHFFFAOYSA-N
-rxn:4:221822:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(n5cnc6ccccc65)C4)nc3)cc2[N+](=O)[O-])CC1,XTFJMWOUOCJAQY-UHFFFAOYSA-N
-rxn:4:221832:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1,DSDFKOCIFWNAAO-UHFFFAOYSA-N
-rxn:4:221832:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,DJNIORIJSLWJFC-UHFFFAOYSA-N
-rxn:4:221910:222583,CN(C)/C=N/c1nc(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c(C#N)c(C#N)c1C#N,ISNKLPDWIJGLMG-JEPNHJGPSA-N
-rxn:4:221916:222633,CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)CC3)nn2)n1,PMPQFZLXPKHYLA-UHFFFAOYSA-N
-rxn:4:221929:226874,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(Cl)cccc5OC(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LNXWFZQDVPZDTL-UHFFFAOYSA-N
-rxn:4:221931:222583,CSc1ncc(C#N)c(N2CC(Cn3cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)n1,ULBMYLKHUAJHAZ-UHFFFAOYSA-N
-rxn:4:221931:223895,CCN1CCN(CCOc2ccc(-c3cnn(CC4CN(c5nc(SC)ncc5C#N)C4)c3)cc2)CC1,RQTRMRYFAXFVOQ-UHFFFAOYSA-N
-rxn:4:221933:222684,CN(C(=O)c1cncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)C1CN(c2nccnc2C#N)C1,KRKSILPRQDXTPT-UHFFFAOYSA-N
-rxn:4:221933:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)c2)c1,DVXMKNCJJAHGNK-UHFFFAOYSA-N
-rxn:4:221950:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OC3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2)cc1,VZNMNUAAUCRHMX-UHFFFAOYSA-N
-rxn:4:221954:222633,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)c4)CC3)nn2)n1,CODBUOJBVJLKBY-UHFFFAOYSA-N
-rxn:4:221966:222583,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,ITKFHLCIZUPVHR-UHFFFAOYSA-N
-rxn:4:221975:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,GLYHXHXBPGJKDI-UHFFFAOYSA-N
-rxn:4:221975:224612,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,YTPCMDOCJLEKTN-UHFFFAOYSA-N
-rxn:4:221976:224818,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(S(=O)(=O)N7CCSCC7)cc6)c5)no4)C3C2=O)cc1,FLSBYUCLVDXQQM-UHFFFAOYSA-N
-rxn:4:221978:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2Cl)CC1,FDECLSIQLFMJOH-UHFFFAOYSA-N
-rxn:4:221986:222583,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,VZXOZXKVVGBNAF-UHFFFAOYSA-N
-rxn:4:222002:224182,Cc1cc(-c2cnc(N3CCC(N(C)c4ncc(Cl)cn4)CC3)c(C#N)c2)ccc1OCCN1CCOCC1,WDSHHNCYIVBZOK-UHFFFAOYSA-N
-rxn:4:222029:222633,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(C(=O)NCCN4CCCC4)cc3)CC2)n1,RNPNTAWSBJEIDW-UHFFFAOYSA-N
-rxn:4:222034:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)cc2)cc1,SOUXONXFCXPCIN-UHFFFAOYSA-N
-rxn:4:222037:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)cc2)cc1,MGQPPZWIPADLJY-UHFFFAOYSA-N
-rxn:4:222041:222583,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)o4)CC3)nn2)n1,WTOHMBSULIEOAM-UHFFFAOYSA-N
-rxn:4:222044:222583,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)CC3)nn2)n1,XJRIAFATCJNCKE-UHFFFAOYSA-N
-rxn:4:222044:222633,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)CC3)nn2)n1,RHLJBZLDPKZYNI-UHFFFAOYSA-N
-rxn:4:222046:224325,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,YBKONQSXPSRESC-UHFFFAOYSA-N
-rxn:4:222050:222684,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)CC3)nn2)n1,KICRGMRTCOUZKB-UHFFFAOYSA-N
-rxn:4:222053:222684,CCc1cc(N2CCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)nc(C(C)(C)C)n1,IIAAYEOEXRKGFH-UHFFFAOYSA-N
-rxn:4:222054:222583,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)o4)CC3)nn2)CC1,QKEBLNQOVIYRTP-UHFFFAOYSA-N
-rxn:4:222062:224392,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)cc3)CC2)n1,QWYXKTKVNYMLKS-UHFFFAOYSA-N
-rxn:4:222062:226844,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,LEWQXGANWJQEJF-UHFFFAOYSA-N
-rxn:4:222089:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,UAZLMYJOCQHMDL-UHFFFAOYSA-N
-rxn:4:222089:225297,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(S(=O)(=O)N6CCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LOKTZZDPRYUBEV-UHFFFAOYSA-N
-rxn:4:222099:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2CC(=O)N2CCCN(c3ccc4nncn4n3)CC2)cc1,LSSFSNTYLOEHGI-UHFFFAOYSA-N
-rxn:4:222102:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,FQVIHSUGOOZZSX-UHFFFAOYSA-N
-rxn:4:222102:222866,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,BUEXDHWIGPJKDT-UHFFFAOYSA-N
-rxn:4:222102:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,XKBHIAJBVGPWTL-UHFFFAOYSA-N
-rxn:4:222102:224178,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,ZJQCWQDJQDUSPF-UHFFFAOYSA-N
-rxn:4:222102:224752,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)cc6C)cc5)no4)C3C2=O)cc1,VZERQYDSBBRYII-UHFFFAOYSA-N
-rxn:4:222102:224964,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,YFDWJABRWFRUMB-UHFFFAOYSA-N
-rxn:4:222102:224986,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6C#N)cc5)no4)C3C2=O)cc1,YHIQRISOABIKDB-UHFFFAOYSA-N
-rxn:4:222102:225357,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c(F)c(C(F)(F)F)c1,ZJUPUWYEGWKEFU-UHFFFAOYSA-N
-rxn:4:222108:222458,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)Nc7cccc([N+](=O)[O-])c7)ccc6F)cc5)no4)C3C2=O)cc1F,ZUDONNMVHSXOIK-UHFFFAOYSA-N
-rxn:4:222108:222719,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HFBAWONKFWWTDG-UHFFFAOYSA-N
-rxn:4:222108:222720,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1F,ZVPYUJKSIOHHBL-UHFFFAOYSA-N
-rxn:4:222108:222742,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C7CC7)c6)cc5)no4)C3C2=O)cc1F,RHPOCUGVRSJGMJ-UHFFFAOYSA-N
-rxn:4:222108:222747,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC7CCCO7)cc6)cc5)no4)C3C2=O)cc1F,NLEGPNFOXTWQLT-UHFFFAOYSA-N
-rxn:4:222108:222881,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1F,IBGZYUMPPILPIK-UHFFFAOYSA-N
-rxn:4:222108:222959,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C)c6)cc5)no4)C3C2=O)cc1F,MICVZUKUIMXKFN-UHFFFAOYSA-N
-rxn:4:222108:223048,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CC7)c6F)cc5)no4)C3C2=O)cc1F,LFEKLOXTTHNXDI-UHFFFAOYSA-N
-rxn:4:222108:223534,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cc5)no4)C3C2=O)cc1F,HMOYLTSXPZTECB-UHFFFAOYSA-N
-rxn:4:222108:223663,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7ccccc7)cc(OC(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,GSCJQIIFGKDHMT-UHFFFAOYSA-N
-rxn:4:222108:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,MGHWCLDMIFYIFA-UHFFFAOYSA-N
-rxn:4:222108:223828,CCN1CCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc(C(F)(F)F)c2)CC1,NORSIDIMGAIBEV-UHFFFAOYSA-N
-rxn:4:222108:224087,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCCCC7)c6)cc5)no4)C3C2=O)cc1F,FBEHEHIYNQTISY-UHFFFAOYSA-N
-rxn:4:222108:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)c2)CC1,ILTRXXVUODZDJZ-UHFFFAOYSA-N
-rxn:4:222108:224178,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,QBFZSWDJUQSRAU-UHFFFAOYSA-N
-rxn:4:222108:224373,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCCC1,MEHAEWNKJBRCHY-UHFFFAOYSA-N
-rxn:4:222108:224421,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5)no4)C3C2=O)cc1F,RKWFZYGUCYNQGE-UHFFFAOYSA-N
-rxn:4:222108:224552,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(COC7CCCCC7)c6)cc5)no4)C3C2=O)cc1F,PFVYOCPUUWFRFS-UHFFFAOYSA-N
-rxn:4:222108:224801,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1F,ABWRAFZIHMOCNH-UHFFFAOYSA-N
-rxn:4:222108:224986,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6C#N)cc5)no4)C3C2=O)cc1F,ZBIWFOBMQCQISO-UHFFFAOYSA-N
-rxn:4:222108:225301,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC7CCOCC7)ncc6F)cc5)no4)C3C2=O)cc1F,CFKOTXRUHBLNMZ-UHFFFAOYSA-N
-rxn:4:222108:225440,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C#N)CCCC7)cc6)cc5)no4)C3C2=O)cc1F,FDOZBFJBYAGLSW-UHFFFAOYSA-N
-rxn:4:222108:225526,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,FBEDVEXRLXOXMS-UHFFFAOYSA-N
-rxn:4:222108:225620,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,NICSYNUTAWVBEG-UHFFFAOYSA-N
-rxn:4:222108:225757,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C(C)C)n1,BXSLEINONHTKEH-UHFFFAOYSA-N
-rxn:4:222108:225765,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(OCC(C)C)c6F)cc5)no4)C3C2=O)cc1F,XVTLLFKDTHVVSX-UHFFFAOYSA-N
-rxn:4:222108:225806,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCCC7)cc6F)cc5)no4)C3C2=O)cc1F,RYSYLPMJZLUURB-UHFFFAOYSA-N
-rxn:4:222108:226025,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCOC7)nc6Cl)cc5)no4)C3C2=O)cc1F,FVQTYPUPLNRVIY-UHFFFAOYSA-N
-rxn:4:222120:222429,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)c7ccc(F)cc7C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1C,XNIKNRHIUIHLQY-UHFFFAOYSA-N
-rxn:4:222120:222523,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,NIKXDFATNQLIMN-UHFFFAOYSA-N
-rxn:4:222120:222589,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,RMAHVPOMKNBTPZ-UHFFFAOYSA-N
-rxn:4:222120:222937,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC(F)(F)F)cc6)cc5)no4)C3C2=O)cc1C,PHFGCOWMZMVLTL-UHFFFAOYSA-N
-rxn:4:222120:223004,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1C,WJNAJCCFTCCTLV-UHFFFAOYSA-N
-rxn:4:222120:223047,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1C,WEASZDYKDIFYET-UHFFFAOYSA-N
-rxn:4:222120:223049,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)cc6F)cc5)no4)C3C2=O)cc1C,SPIHBNGKFGZYKW-UHFFFAOYSA-N
-rxn:4:222120:223652,COc1ccc(Cl)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c12,BBZFGZWQUQPCHF-UHFFFAOYSA-N
-rxn:4:222120:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,NQKGXOPCFIQKPY-UHFFFAOYSA-N
-rxn:4:222120:224761,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCCC7)c6)cc5)no4)C3C2=O)cc1C,KRUPAHBXBIPYED-UHFFFAOYSA-N
-rxn:4:222120:224930,CCN(CC)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)ccc1OC,QHALLKUOYJUWNJ-UHFFFAOYSA-N
-rxn:4:222120:224936,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1C,VBXRNFDEZRXIBW-UHFFFAOYSA-N
-rxn:4:222120:225156,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1C,GNWWNCMADIKKJU-UHFFFAOYSA-N
-rxn:4:222120:225181,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6F)cc5)no4)C3C2=O)cc1C,OIBRZKMYVRTLTI-UHFFFAOYSA-N
-rxn:4:222120:225719,COCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1OC,HQBPJZCDBGTGRL-UHFFFAOYSA-N
-rxn:4:222120:225834,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7)ncc6F)cc5)no4)C3C2=O)cc1C,ZNNFTHRTVQQQFQ-UHFFFAOYSA-N
-rxn:4:222120:225874,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,QFGPHMJGHLDYQC-UHFFFAOYSA-N
-rxn:4:222120:225940,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cnc6C6CC6)cc5)no4)C3C2=O)cc1C,ISHCMOYSISHLBA-UHFFFAOYSA-N
-rxn:4:222120:226037,COc1c(C(F)(F)F)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1F,XEEOWVDZLJAIAT-UHFFFAOYSA-N
-rxn:4:222153:222537,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,NBLDVITUBWQLKF-UHFFFAOYSA-N
-rxn:4:222159:222583,CCc1cc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)nc(C)n1,FLUWJYDBGVZNRV-UHFFFAOYSA-N
-rxn:4:222162:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)cc1,OYTGDNXGGCFJHH-UHFFFAOYSA-N
-rxn:4:222165:222633,CC(C)(C)c1ccc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)CC2)nn1,AGEACRSDOHCNKV-UHFFFAOYSA-N
-rxn:4:222166:222583,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)ncn1,WNCUYALAWGXLAG-UHFFFAOYSA-N
-rxn:4:222169:222582,Cc1nc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)cc(C(C)(C)C)n1,NNNGNEHCLJZFSP-UHFFFAOYSA-N
-rxn:4:222169:222583,Cc1nc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)cc(C(C)(C)C)n1,XQXNPMUREAPBCD-UHFFFAOYSA-N
-rxn:4:222180:222583,N#Cc1ccc(N2CC3CCN(c4ncc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cn4)C3C2)nc1,JEHDDEIGLWNDDP-UHFFFAOYSA-N
-rxn:4:222180:222684,N#Cc1ccc(N2CC3CCN(c4ncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cn4)C3C2)nc1,PZYLZYDMMQFONZ-UHFFFAOYSA-N
-rxn:4:222191:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4CCN(c5ccc6nnc(C7CC7)n6n5)CC4)c3)cc2F)CC1,JOSQVNYOBTVYNO-UHFFFAOYSA-N
-rxn:4:222191:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(c5ccc6nnc(C7CC7)n6n5)CC4)c3)cc2)CC1,ZMPYKRLOPIEXRG-UHFFFAOYSA-N
-rxn:4:222204:222583,Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)n(C)c1=O,HOGNDOUZMORHIB-UHFFFAOYSA-N
-rxn:4:222214:223696,Cc1ccc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CC2)nn1,BRXZXIDMSPFPNG-UHFFFAOYSA-N
-rxn:4:222229:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)c1,FDVCEBHXIKHYRO-UHFFFAOYSA-N
-rxn:4:222253:222583,COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c1,AKTATWRFZVXNMB-UHFFFAOYSA-N
-rxn:4:222275:222432,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(S(=O)(=O)NC7CCCCC7)c7ccccc67)o5)CC4)ncnc32)cc1,WZBVWWXJCVKGAT-UHFFFAOYSA-N
-rxn:4:222281:222633,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cc5)CC4)ncnc32)cc1,UBJGZPRVRMBSKL-UHFFFAOYSA-N
-rxn:4:222284:222633,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cc5)CC4)ncnc32)c1,LRFHIHQVYCUZIK-UHFFFAOYSA-N
-rxn:4:222287:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c2)cc1,DWQQXUFZWXTDTH-UHFFFAOYSA-N
-rxn:4:222287:223755,CC1CCN(CCCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(-n6cncn6)nn5)CC4)c3)cc2F)CC1,IKCHKJNWFYCDCB-UHFFFAOYSA-N
-rxn:4:222288:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c2)cc1,QASTWZXNEZRPMC-UHFFFAOYSA-N
-rxn:4:222297:222633,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)o4)CC3)ncnc21,HGVYAHSYHDZYIP-UHFFFAOYSA-N
-rxn:4:222303:222583,Cn1ncc2c(N3CCCC(COc4ncc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cn4)C3)ncnc21,FFTPCHXHJHQAFI-UHFFFAOYSA-N
-rxn:4:222313:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4cccc(F)c4)CC3)cc2)cc1,XWRQIBSFABRQMC-UHFFFAOYSA-N
-rxn:4:222313:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)cc3)cc2)CC1,RYBYGTNGZHTABB-UHFFFAOYSA-N
-rxn:4:222315:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(F)cc4)CC3)c2)c1,JVDITMQYJRMGCS-UHFFFAOYSA-N
-rxn:4:222315:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(F)cc4)CC3)c2)cc1,WPDASNDZGKKPSM-UHFFFAOYSA-N
-rxn:4:222316:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(F)cc4)CC3)cc2)cc1,HYEOUPKWGGCPPP-UHFFFAOYSA-N
-rxn:4:222319:222583,Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)cc5)CC4)ncnc32)cc1,NLKROXAEHLZQKQ-UHFFFAOYSA-N
-rxn:4:222328:222583,Cc1cc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)nc(N(C)C)n1,ULJOSPWTVCCVSF-UHFFFAOYSA-N
-rxn:4:222334:224368,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c4)cn3)CC2)n1,ZABZTGQSLFEJHR-UHFFFAOYSA-N
-rxn:4:222334:225209,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCCC5C)nc4C)cn3)CC2)n1,KNICHINPIIOZIZ-UHFFFAOYSA-N
-rxn:4:222337:222537,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,GBWAFFBHOXGSBG-UHFFFAOYSA-N
-rxn:4:222337:225428,CCCCC(=O)c1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c(C)c1,KTRKPZIIUCHANJ-UHFFFAOYSA-N
-rxn:4:222338:222633,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)CC2)n1,XMOSSOPABTXXES-UHFFFAOYSA-N
-rxn:4:222338:223595,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)n1,OCUHFTVSLBCQHY-UHFFFAOYSA-N
-rxn:4:222345:222583,Cn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)o4)CC3)ncnc21,XYHVVYYEZUDMCX-UHFFFAOYSA-N
-rxn:4:222367:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(N2CCN(c3ncnc4c3ncn4CC3CCCO3)CC2)nc1,QDCMGLCHYJAGHD-UHFFFAOYSA-N
-rxn:4:222378:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC)CC4)nc3)c(F)cc2C)CC1,QMNNAUSBDQVAJR-UHFFFAOYSA-N
-rxn:4:222379:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc1,ZCKBMKSSQGFMIL-UHFFFAOYSA-N
-rxn:4:222380:224061,CCCC1CCC(c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)c2)CC1,KOWCWOQQCYGDON-UHFFFAOYSA-N
-rxn:4:222380:224167,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CN(C)C(=O)OC(C)(C)C)cc6)cn5)CC4C3)ncnc21,IOBAPDOYGXXTHB-UHFFFAOYSA-N
-rxn:4:222380:224319,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6C)cn5)CC4C3)ncnc21,NTCBWLGPCFOZER-UHFFFAOYSA-N
-rxn:4:222380:224321,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(S(=O)(=O)N7CCC(C)CC7)c6)cn5)CC4C3)ncnc21,PTMHRDYBXLDWGO-UHFFFAOYSA-N
-rxn:4:222389:197945,c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c2c(c1)C(N1CCCC1)CCC2,SVAAIYPYSDRSOK-UHFFFAOYSA-N
-rxn:4:222389:207426,CCn1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C12CCCC1O2,LVWNFWUHMXOWQT-UHFFFAOYSA-N
-rxn:4:222513:177843,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)CC2CC2)cc1C,WJAIVNFAVQRCLP-UHFFFAOYSA-N
-rxn:4:222680:194621,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc2c(c1)CN(CC(C)C)C(=O)CO2,USFAXCUALHGTFG-UHFFFAOYSA-N
-rxn:4:222693:204010,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)n2)CC1,LDLPPAHEQXMXCY-UHFFFAOYSA-N
-rxn:4:222723:187811,CC(C)(C)OC(=O)n1cc(C(F)F)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc21,QTBMKAZQNXQQNX-UHFFFAOYSA-N
-rxn:4:222810:185079,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cc1,RJDMLBLQDONHKP-UHFFFAOYSA-N
-rxn:4:222880:184159,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)c1)C2=O,UBQZXFFHBIOXKY-UHFFFAOYSA-N
-rxn:4:222883:178295,COC(=O)C1(c2cc(Cl)ccc2-c2ccc(C(=O)NC(C)(C)C)cc2Cl)CCC(=O)CC1,INNVULHCGJAXNT-UHFFFAOYSA-N
-rxn:4:222940:185025,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,DDGKQCHVHLMJMO-UHFFFAOYSA-N
-rxn:4:222942:214064,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cc2N2CCOCC2)CC1,AZGCQCFRFVMZMX-UHFFFAOYSA-N
-rxn:4:222972:199825,CN(Cc1ccc(-c2ccccc2NC(=O)C(C)(C)C)cc1N1CCCCC1)C(=O)OC(C)(C)C,ZEFKHGRBLVVHJU-UHFFFAOYSA-N
-rxn:4:222981:199999,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccnc(NC4CCCCC4)c3)cc2ccn1C(=O)OC(C)(C)C,SWBAVVWVDNUOQW-UHFFFAOYSA-N
-rxn:4:222991:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N2CCCC(O)C2)cc1,DIHZYGPPRXAKDK-UHFFFAOYSA-N
-rxn:4:223020:199870,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NCCC#N)cc1,FOMLCRPQOZEZFN-UHFFFAOYSA-N
-rxn:4:223072:187632,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1,PXONGDXROJXRMV-UHFFFAOYSA-N
-rxn:4:223093:174624,COc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,OUGUKPGABXSKIY-UHFFFAOYSA-N
-rxn:4:223580:194859,CCc1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(-c4cc5cc(C(=O)OC)ccc5n4C(=O)OC(C)(C)C)ccc3c1C2=O,RMYUTRARBJLWAV-UHFFFAOYSA-N
-rxn:4:223960:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(F)c(C(=O)N2CCN(CC)CC2)c1,FXLDYXJSWJCLDU-UHFFFAOYSA-N
-rxn:5:177185:225982:223062,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(C2CCNCC2)cc1F,YJKRJJMMCUXCES-UHFFFAOYSA-N
-rxn:5:177185:226662:223062,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,RPPYCNOVSJUPRE-UHFFFAOYSA-N
-rxn:5:177190:226330:225831,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCCC3)s2)c1,STHJCSBXYKKKBC-UHFFFAOYSA-N
-rxn:5:177190:226330:226571,CCS(=O)(=O)Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)c1,AGDRBWIIOBOPEF-UHFFFAOYSA-N
-rxn:5:177190:226794:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnc(N3CCSCC3)nc2)c1,NBLHDFTUBFXFAD-UHFFFAOYSA-N
-rxn:5:177191:222998:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c2)CCC1,SOERAXKYCHKUFS-UHFFFAOYSA-N
-rxn:5:177373:225803:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccnc(OC3CCOCC3)c2)c1,HJZLQLIZXPKDOK-UHFFFAOYSA-N
-rxn:5:177729:223131:223065,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1-c1ccc(N2CCNCC2)cc1F,JGXCSFZPKJRIAI-UHFFFAOYSA-N
-rxn:5:177729:225438:223131,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCNCC4)cc3)c2)cc1)N1CCCC1,SUVWKOGONYYADA-UHFFFAOYSA-N
-rxn:5:177731:225978:223294,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1ccc(N2CCOCC2)nc1F,UNNRLBSNWGECCF-UHFFFAOYSA-N
-rxn:5:177733:226059:225871,CC(C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(N4C(=O)C=CC4=O)c3)c2)c(C(C)C)c1,JRLUUIVTSGKATQ-UHFFFAOYSA-N
-rxn:5:177734:225868:223294,Cc1cc(-c2ccc(N3CCOCC3)c(F)c2)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,CLDDMQWLJXYTGQ-UHFFFAOYSA-N
-rxn:5:177737:225438:225982,CC(c1ccc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,GBKDIJPGLZNEEU-UHFFFAOYSA-N
-rxn:5:177739:225607:223281,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C3(O)COC3)nc2)s1)N1CCCCC1,QMMLXRVZYNSFOD-UHFFFAOYSA-N
-rxn:5:177850:225926:223138,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(C2OCCO2)c1-c1ccnc(C2CCNCC2)c1,ZSYZLIIRLOCICU-UHFFFAOYSA-N
-rxn:5:177850:226185:226764,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(F)c(C(=O)OC)c1F,IPUXFHKPKJTBLY-UHFFFAOYSA-N
-rxn:5:177851:222986:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(C)nc(C2CCCNC2)c1,CYCSLNBOFCFPAW-UHFFFAOYSA-N
-rxn:5:177851:223058:227291,CCOc1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C2OCCO2)cc1-c1ccc(CN(C)C)c(F)c1,HAUIEPBOMHAOJR-UHFFFAOYSA-N
-rxn:5:177891:223141:227446,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)cc1)c1ccccc1-c1cncc(C2CCNCC2)c1,BWLZZWFTMCYKPW-UHFFFAOYSA-N
-rxn:5:177891:223142:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(C2CCCNC2)nc1,HGQVPIXDDZOERL-UHFFFAOYSA-N
-rxn:5:177891:223172:225652,CC1CCCN(c2cncc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cc4cc([N+](=O)[O-])ccc4[nH]3)c2)C1,DDMJLWJPUDRMTF-UHFFFAOYSA-N
-rxn:5:177891:223284:223142,CS(=O)(=O)Nc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCCNC3)nc2)cc1,QQQZBUFBNFHMCE-UHFFFAOYSA-N
-rxn:5:177891:223285:225613,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(OC2CCCCC2)c1,ISUUTPSYGJPXDN-UHFFFAOYSA-N
-rxn:5:177891:225798:228629,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCC2)s1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,DACRKOMNELVHDK-UHFFFAOYSA-N
-rxn:5:177891:226452:223294,O=C(SC1CS(=O)(=O)CC1c1csc(N2CCNCC2)n1)c1ccccc1-c1ccc(C2OCCCO2)cc1,KBMXQZRYOOWXTP-UHFFFAOYSA-N
-rxn:5:177891:226586:228628,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCC2)cs1)c1ccccc1-c1ccnc(OC2CCOC2)c1,MSZGGMOJQXXWEX-UHFFFAOYSA-N
-rxn:5:177891:226649:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cccnc1N1CCOCC1,YHAPHGDAWJPFRT-UHFFFAOYSA-N
-rxn:5:177891:227438:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1ccnc(C2CCOC2)c1,ZPXFJDPVTVPNIP-UHFFFAOYSA-N
-rxn:5:177891:227449:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)c1,LEHKYHGXFDZCFP-UHFFFAOYSA-N
-rxn:5:177891:227517:225653,CC1CCCCN1c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)cn1,YHMYUAJZZGADRF-UHFFFAOYSA-N
-rxn:5:177891:227654:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2OCCO2)nc1,WGTKKPLKZSFHCB-UHFFFAOYSA-N
-rxn:5:178118:222960:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCNCC2)c1,VIYPMGYUKNJNBT-UHFFFAOYSA-N
-rxn:5:178118:225832:228866,COCc1noc(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(OCC2CCCCO2)c1,SYXHILMZIAVUHU-UHFFFAOYSA-N
-rxn:5:178118:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3CCOCC3)s2)c(OCC2CCCCO2)c1,HUEVOQYDLIVYCA-UHFFFAOYSA-N
-rxn:5:178118:227710:222960,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)c1,UOWZRUPSYFJJLH-UHFFFAOYSA-N
-rxn:5:178119:226920:223018,Cc1ccc(C(C)(C)C)cc1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)NC(=O)C(C)(C)O2,UVSXBZJJEFHPJS-UHFFFAOYSA-N
-rxn:5:178119:227077:223018,CCC(C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)c1,DGSFDBMIKQJBPY-UHFFFAOYSA-N
-rxn:5:178226:225684:228016,Cc1nc(C2CCOCC2)ccc1-c1c(OCC2CCCCC2)cccc1-c1cc(C2CCCC2)cs1,SKVCSBCOAMAKDS-UHFFFAOYSA-N
-rxn:5:178295:223012:226914,COC(=O)c1cc2cc(-c3ccc(-c4ccc(CC(C)C)cc4C)cc3C3(C(=O)OC)CCC(=O)CC3)ccc2[nH]1,FGIXDNGZTBQYHC-UHFFFAOYSA-N
-rxn:5:178295:223141:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2cncc(C3CCNCC3)c2)CCC(=O)CC1,KGGJGLXSMCTGEG-UHFFFAOYSA-N
-rxn:5:178295:223287:228344,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(SC(F)F)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,AVNDMXDFIFFMBO-UHFFFAOYSA-N
-rxn:5:178295:223358:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,ZEINUOAMSUOZRJ-UHFFFAOYSA-N
-rxn:5:178295:223401:226068,CNc1cc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,ZAICZTCBLSIYLN-UHFFFAOYSA-N
-rxn:5:178295:223421:227315,CNC(C)c1ccc(-c2ccc(-c3cnc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,NSEOOVBLYIFKAJ-UHFFFAOYSA-N
-rxn:5:178295:225395:228616,COC(=O)C1(c2cc(-c3ccc(SC)cc3C)ccc2-c2cc(C3CC3)cc(C(C)(C)C)c2)CCC(=O)CC1,JEXMFTORLZOQCQ-UHFFFAOYSA-N
-rxn:5:178295:225439:223421,CNC(C)c1ccc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,HSVQREIJJWOJGU-UHFFFAOYSA-N
-rxn:5:178295:225666:228696,COCc1ccc(-c2ccc(-c3cc(F)cc(N4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,GPGMQGNJGBEAJV-UHFFFAOYSA-N
-rxn:5:178295:225703:227309,CCC(C)c1cc(-c2ccc(-c3ccc4sc(C(=O)OC)cc4c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,LQIVMJPFWUQURS-UHFFFAOYSA-N
-rxn:5:178295:225886:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,FJHZTPWLGCCFBJ-UHFFFAOYSA-N
-rxn:5:178295:225886:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,IVWLMMAHDMPWHE-UHFFFAOYSA-N
-rxn:5:178295:226058:228548,CCCc1cncc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VNBQWOMZSXFBHI-UHFFFAOYSA-N
-rxn:5:178295:226058:228921,COC(=O)C1(c2cc(-c3ccc(C(F)F)nc3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,VRRHPSGFXQBXPM-UHFFFAOYSA-N
-rxn:5:178295:226062:227905,COC(=O)C1(c2cc(-c3ccnc(CC(C)C)c3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,NUMZCWPDHYNLIJ-UHFFFAOYSA-N
-rxn:5:178295:226064:227831,CCc1c(C)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,BDJBGFRWGJRZKT-UHFFFAOYSA-N
-rxn:5:178295:226067:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,XWBZTOSNOYEPAI-UHFFFAOYSA-N
-rxn:5:178295:226067:229053,COCc1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,KATIEMRZVQDCKC-UHFFFAOYSA-N
-rxn:5:178295:226070:225395,COC(=O)C1(c2cc(-c3cc(C4CC4)cc(C(C)(C)C)c3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,GQEZUOIHPHHANC-UHFFFAOYSA-N
-rxn:5:178295:226085:227872,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC4=O)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,XTUAPWYDEOBRAF-UHFFFAOYSA-N
-rxn:5:178295:226140:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,QRDFAAPINVFLAJ-UHFFFAOYSA-N
-rxn:5:178295:226140:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,RFYHSEWPQSFKOI-UHFFFAOYSA-N
-rxn:5:178295:226140:228791,COC(=O)C1(c2cc(-c3ccc(SC)cc3F)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,ASXQEYXJXHQBAZ-UHFFFAOYSA-N
-rxn:5:178295:226144:223242,COC(=O)C1(c2cc(-c3ccnc(C4CCNC4)c3)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,VZCIMSHYFZIRIF-UHFFFAOYSA-N
-rxn:5:178295:226144:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,WIPXENPLSFZMHZ-UHFFFAOYSA-N
-rxn:5:178295:226146:227309,CCC(C)c1cc(-c2ccc(-c3ccc(SC4CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,BZUWVNGFXMLNHD-UHFFFAOYSA-N
-rxn:5:178295:226154:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KTMJHTDLHZJABM-UHFFFAOYSA-N
-rxn:5:178295:226154:228518,CC#Cc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,HCBOMOJBTQXSBO-UHFFFAOYSA-N
-rxn:5:178295:226188:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C)c([Si](C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SGNRRQKABAOYSL-UHFFFAOYSA-N
-rxn:5:178295:226211:227913,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,XGBVEFQBZOSFGD-UHFFFAOYSA-N
-rxn:5:178295:226212:228512,CC#Cc1cccc(-c2ccc(-c3ccc4c(c3)CCC4=NOC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WKKIBDUMPVBFHB-UHFFFAOYSA-N
-rxn:5:178295:226322:228624,COC(=O)C1(c2cc(-c3ccc(C)c(SC)c3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,WYGBNEZTCCKLAK-UHFFFAOYSA-N
-rxn:5:178295:226589:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,IROMWZLHJTXCTJ-UHFFFAOYSA-N
-rxn:5:178295:226589:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,UCRZLQLNANLNBL-UHFFFAOYSA-N
-rxn:5:178295:226764:228594,CCc1cc(-c2ccc(-c3ccc(F)c(C(=O)OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,WSVMNJFTYRCFON-UHFFFAOYSA-N
-rxn:5:178295:226769:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MYSOMKUTMRZAFM-UHFFFAOYSA-N
-rxn:5:178295:226772:228687,CCSc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,OHVZCEAQNRUKJV-UHFFFAOYSA-N
-rxn:5:178295:226910:227591,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XEKGYOYQODXFLC-UHFFFAOYSA-N
-rxn:5:178295:226910:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,LYZXTSHQCQKBQQ-UHFFFAOYSA-N
-rxn:5:178295:226910:227970,CCC(C)(C)c1ccc(-c2ccc(-c3ccncc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,QOQMNTHNZXPYBN-UHFFFAOYSA-N
-rxn:5:178295:226911:227529,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XSTRYTHZODBYHP-UHFFFAOYSA-N
-rxn:5:178295:226911:227980,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HUPWIVADTUGXRT-UHFFFAOYSA-N
-rxn:5:178295:226917:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(C)cc(C(C)(C)C)c2)CCC(=O)CC1,MDQPVYWHICXUIY-UHFFFAOYSA-N
-rxn:5:178295:226920:227838,COC(=O)C1(c2cc(-c3cc(C)ccc3C3CC3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,QSEBYSWARVYGBB-UHFFFAOYSA-N
-rxn:5:178295:226920:227964,COC(=O)C1(c2cc(-c3cncc(C4(C)CC4)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,XTWZYFHWTXNOEZ-UHFFFAOYSA-N
-rxn:5:178295:226920:228383,COC(=O)C1(c2cc(-c3cnc(C(F)F)c(C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,QSOZCQUJFHPJIK-UHFFFAOYSA-N
-rxn:5:178295:226959:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,LVIPJBNWSWWNGA-UHFFFAOYSA-N
-rxn:5:178295:226966:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,SPAQFQJZXZLFRD-UHFFFAOYSA-N
-rxn:5:178295:226974:227050,COC(=O)C1(c2cc(-c3ccc(OC(C)C)c(C)c3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,RYODGWKVZUSGBC-UHFFFAOYSA-N
-rxn:5:178295:226974:227063,COC(=O)C1(c2cc(-c3ccc(C)cc3OC(C)C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,BGFXVRPHJNJFOY-UHFFFAOYSA-N
-rxn:5:178295:226974:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)COC3(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,VQIYPAREPXWKLC-UHFFFAOYSA-N
-rxn:5:178295:227019:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2cccc(C(C)(C)C#N)c2)CCC(=O)CC1,HQRFSJVRCYOXBS-UHFFFAOYSA-N
-rxn:5:178295:227038:227946,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,QMZYTRPPPZMDMM-UHFFFAOYSA-N
-rxn:5:178295:227047:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cccc(SC3CCC3)c2)CCC(=O)CC1,FKXSBVRSCUOHRN-UHFFFAOYSA-N
-rxn:5:178295:227048:227955,COC(=O)C1(c2cc(-c3cc(C)cnc3C(C)C)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,MNNHBDGTPPJSKY-UHFFFAOYSA-N
-rxn:5:178295:227052:227316,COC(=O)C1(c2cc(-c3cc(F)nc(CC(C)C)c3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,MOCCSMIXAMBCDR-UHFFFAOYSA-N
-rxn:5:178295:227052:227932,COCc1ccc(C)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GKWLRMFNQYRGQE-UHFFFAOYSA-N
-rxn:5:178295:227052:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,NHLDPVFTSSWULP-UHFFFAOYSA-N
-rxn:5:178295:227059:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(OC)c(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,APMYARZPQTZJKH-UHFFFAOYSA-N
-rxn:5:178295:227065:227816,CCCc1ccc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,STSNSZKDXZVLIP-UHFFFAOYSA-N
-rxn:5:178295:227075:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,ZBQMCLDBGWNNRM-UHFFFAOYSA-N
-rxn:5:178295:227075:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NFPMECLXQQLLIN-UHFFFAOYSA-N
-rxn:5:178295:227076:225702,CCC(C)c1ccc(F)c(-c2ccc(-c3cc4ccccc4n3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VLKRBCJGOMOARP-UHFFFAOYSA-N
-rxn:5:178295:227076:228967,CCC(C)c1ccc(F)c(-c2ccc(-c3cn(C)nc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RBLSZUIRNMDKDH-UHFFFAOYSA-N
-rxn:5:178295:227077:223343,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)NC(=O)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,AQGDENSFSHOMQD-UHFFFAOYSA-N
-rxn:5:178295:227078:228407,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3F)ccc2-c2cc(OC)ccc2C2CC2)CCC(=O)CC1,VIDHDEIKJRQRHO-UHFFFAOYSA-N
-rxn:5:178295:227079:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ISMXQKYVXNJFQP-UHFFFAOYSA-N
-rxn:5:178295:227120:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YGSCQKQTOWYIQV-UHFFFAOYSA-N
-rxn:5:178295:227124:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,JVDMEDFPHWVVGD-UHFFFAOYSA-N
-rxn:5:178295:227209:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,KKDFXNPVCXXVBK-UHFFFAOYSA-N
-rxn:5:178295:227286:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PSXVFKKLLSANSH-UHFFFAOYSA-N
-rxn:5:178295:227288:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,RTAJEXSXCZLZSC-UHFFFAOYSA-N
-rxn:5:178295:227309:227312,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)CC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AROQAZBRMFCGKH-UHFFFAOYSA-N
-rxn:5:178295:227311:227024,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(C(C)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,IWQJFSRPUNQRDQ-UHFFFAOYSA-N
-rxn:5:178295:227314:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IEXPRXREAFVWPS-UHFFFAOYSA-N
-rxn:5:178295:227314:228180,COCc1cc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,KKXWGYDRDVBCTF-UHFFFAOYSA-N
-rxn:5:178295:227361:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,PDWWLGKAZYFCPF-UHFFFAOYSA-N
-rxn:5:178295:227364:228430,COC(=O)C1(c2cc(-c3c(F)cc(SC)cc3F)ccc2-c2ccc(OC)c(C)c2OC)CCC(=O)CC1,MNRPCOWOGRMDMT-UHFFFAOYSA-N
-rxn:5:178295:227409:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2cc(C(C)(C)C)ncc2F)CCC(=O)CC1,PBXJLZGWUWPHDD-UHFFFAOYSA-N
-rxn:5:178295:227522:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IQHZMKDXALRINR-UHFFFAOYSA-N
-rxn:5:178295:227702:228180,COCc1cc(-c2ccc(-c3cc(C(=O)OC)cnc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,PQPCYWIRHCRSFI-UHFFFAOYSA-N
-rxn:5:178295:227704:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,JGRFXOFTPYPKLX-UHFFFAOYSA-N
-rxn:5:178295:227704:228443,COC(=O)C1(c2cc(-c3ccc(F)c(SC)c3F)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,NRDKDXBXRAIMBI-UHFFFAOYSA-N
-rxn:5:178295:227810:226061,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ODHOZBYHLBDOIG-UHFFFAOYSA-N
-rxn:5:178295:227810:227510,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,MTVSSTAOAZXXRM-UHFFFAOYSA-N
-rxn:5:178295:227812:227289,COC(=O)C1(c2cc(-c3cccnc3OC(C)(C)C)ccc2-c2cccc(CC(C)C)c2)CCC(=O)CC1,MRTYUYOOYFYREX-UHFFFAOYSA-N
-rxn:5:178295:227817:227313,CCC(C)c1cc(-c2ccc(-c3ccccc3CC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,HTOITYBOMDTEQL-UHFFFAOYSA-N
-rxn:5:178295:227818:226068,CCC(C)c1cccc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HRHBEEUMJGDTAZ-UHFFFAOYSA-N
-rxn:5:178295:227819:227074,CCOc1c(C)cc(C)cc1-c1ccc(-c2cc(CC)cc(CC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GFFUDJFPKDIRNB-UHFFFAOYSA-N
-rxn:5:178295:227820:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,XYKJJFJTVOQTMM-UHFFFAOYSA-N
-rxn:5:178295:227820:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,GNHOOMHKXJOQKX-UHFFFAOYSA-N
-rxn:5:178295:227821:226603,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,WTWDPSBAKFDTQM-UHFFFAOYSA-N
-rxn:5:178295:227822:227312,CCC(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PMUZTQVMJJJTTE-UHFFFAOYSA-N
-rxn:5:178295:227825:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cccc(C3CCC3)c2)CCC(=O)CC1,VQMFYUVXDDHBHC-UHFFFAOYSA-N
-rxn:5:178295:227826:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2cccc(C(C)(C)C)c2)CCC(=O)CC1,OQCNUTNZLCKKGV-UHFFFAOYSA-N
-rxn:5:178295:227835:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C)c(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NCCKOMXGJHJUCA-UHFFFAOYSA-N
-rxn:5:178295:228003:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,PQPLFYYRHSZZJI-UHFFFAOYSA-N
-rxn:5:178295:228003:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,GJFAWSISHPAZBF-UHFFFAOYSA-N
-rxn:5:178295:228078:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,GDHPNHKNNGWGTL-UHFFFAOYSA-N
-rxn:5:178295:228125:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccnc(OC(C)C)c2)CCC(=O)CC1,NZHHCIBZVFGTRR-UHFFFAOYSA-N
-rxn:5:178295:228144:226058,CCCc1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,ATXYCTRNMMCOJJ-UHFFFAOYSA-N
-rxn:5:178295:228177:227079,COCc1ccc(F)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,COGAHZAAJYFMSY-UHFFFAOYSA-N
-rxn:5:178295:228178:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cc(COC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,AEBDLHGDXMIDHV-UHFFFAOYSA-N
-rxn:5:178295:228189:227329,CCSc1ccc(F)c(-c2ccc(-c3cc(C(C)=O)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KTNUASYYGQTXGK-UHFFFAOYSA-N
-rxn:5:178295:228195:227818,CCC(C)c1cccc(-c2ccc(-c3cn(C(C)(C)C)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GDJMFZWZAICPPJ-UHFFFAOYSA-N
-rxn:5:178295:228279:227339,CCc1cc(F)c(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,ILORWHNWVFMFGJ-UHFFFAOYSA-N
-rxn:5:178295:228279:227569,CCc1cc(F)c(-c2ccc(-c3c(OC)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LMGPHYINIWRQRF-UHFFFAOYSA-N
-rxn:5:178295:228317:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)OC)nc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KAXMXEKIDKTGER-UHFFFAOYSA-N
-rxn:5:178295:228325:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2cnc(OC)cc2OC)CCC(=O)CC1,WDRFCHPWDRIELR-UHFFFAOYSA-N
-rxn:5:178295:228396:226969,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4=O)ccc2-c2c(F)cc(OC)cc2F)CCC(=O)CC1,KMHSYTVIRNQIFK-UHFFFAOYSA-N
-rxn:5:178295:228416:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2c(F)cc(F)cc2OC)CCC(=O)CC1,FMQBDJDBAWLZGA-UHFFFAOYSA-N
-rxn:5:178295:228430:227311,CCC(C)c1cc(F)c(-c2ccc(-c3c(F)cc(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DOXQOPRRZVYQAE-UHFFFAOYSA-N
-rxn:5:178295:228430:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(F)cc(SC)cc2F)CCC(=O)CC1,KGMJYQGOEOMMCD-UHFFFAOYSA-N
-rxn:5:178295:228447:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cccc(C(F)F)c2F)CCC(=O)CC1,SZMYLDGMQHYMTE-UHFFFAOYSA-N
-rxn:5:178295:228467:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C(=O)OC)sc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IMDZNOANUFTPFE-UHFFFAOYSA-N
-rxn:5:178295:228503:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2ccc3c(c2)CCC3)CCC(=O)CC1,KGUPYOXHGDYBIV-UHFFFAOYSA-N
-rxn:5:178295:228505:226580,CCCc1ccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,YVOSHKPMQXDKGW-UHFFFAOYSA-N
-rxn:5:178295:228506:226153,CCCc1ccccc1-c1ccc(-c2cc(C3CC3)c(OC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,BHLVVRGOCRIJIJ-UHFFFAOYSA-N
-rxn:5:178295:228519:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2c(C)cc(C)cc2C)CCC(=O)CC1,HGHRUSSXBJZTHK-UHFFFAOYSA-N
-rxn:5:178295:228562:227703,CCC(C)c1csc(-c2ccc(-c3cnc(F)c(C(=O)OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IBSMWFMXVNOURH-UHFFFAOYSA-N
-rxn:5:178295:228563:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(CC(C)C)cs2)CCC(=O)CC1,DEJPUHHDIFIGHW-UHFFFAOYSA-N
-rxn:5:178295:228567:226971,CCC(C)c1sccc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1C1(C(=O)OC)CCC(=O)CC1,VRIBPBWFVPVSIQ-UHFFFAOYSA-N
-rxn:5:178295:228588:226067,CC#Cc1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,DLUWVFYJFJHANY-UHFFFAOYSA-N
-rxn:5:178295:228605:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cccc(C)c2OC)CCC(=O)CC1,OYOXNUHGLQTVLZ-UHFFFAOYSA-N
-rxn:5:178295:228610:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)s2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SJMXJORHARJWGV-UHFFFAOYSA-N
-rxn:5:178295:228622:226062,CCc1cc(F)ccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,HCSUQPUUASLXPC-UHFFFAOYSA-N
-rxn:5:178295:228624:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccc(C)c(SC)c2)CCC(=O)CC1,DVJDKLBUFNULRT-UHFFFAOYSA-N
-rxn:5:178295:228635:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(F)c(C)c2C)CCC(=O)CC1,WXXATZKGTUXUIB-UHFFFAOYSA-N
-rxn:5:178295:228777:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(OC)cc2F)CCC(=O)CC1,YXSSUJBGKPQGIH-UHFFFAOYSA-N
-rxn:5:178295:229089:226149,COC(=O)C1(c2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2-c2ccsc2C(C)=O)CCC(=O)CC1,HLEKOQZJKUNKTN-UHFFFAOYSA-N
-rxn:5:178353:226323:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(OC4CCCC4)nc3)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,XSHLAHAHKYEVFD-UHFFFAOYSA-N
-rxn:5:178353:226366:223004,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1-c1ccc(C2CCNCC2)c(F)c1,KKGPHJGXFALQLF-UHFFFAOYSA-N
-rxn:5:178466:223061:223061,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,FCQPMYQPCZIVFK-UHFFFAOYSA-N
-rxn:5:178466:223065:226661,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(N2CCN(C)CC2)cs1,GLBKWKLSPCHFPH-UHFFFAOYSA-N
-rxn:5:178466:225784:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(N2CCOCC2)ncc1F,VOFJUEXBPIZCEU-UHFFFAOYSA-N
-rxn:5:178466:225833:225834,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,HWKPGGQQDYQCCM-UHFFFAOYSA-N
-rxn:5:178467:223011:226583,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)s3)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,POEKCXSEECQMFD-UHFFFAOYSA-N
-rxn:5:178467:223058:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,CETZCEAECDJXMR-CSKARUKUSA-N
-rxn:5:178467:223132:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cccc(N4CCNCC4)c3)c2OC1,HZWZROSMGNZYLM-UHFFFAOYSA-N
-rxn:5:178467:223134:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cnccc3C3CCCNC3)c2OC1,IFNDFESAGCNVAN-UHFFFAOYSA-N
-rxn:5:178467:223135:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cccnc3C3CCCNC3)c2OC1,HUDJSODFXJENGB-UHFFFAOYSA-N
-rxn:5:178467:223140:227501,CCOC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,AIMKTFNGAZUQQB-UHFFFAOYSA-N
-rxn:5:178467:223378:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cnc4c(c3)NCCO4)c2OC1,BIOFMNIEXZLXMZ-UHFFFAOYSA-N
-rxn:5:178467:225515:227375,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)nc3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,XZORPCFOECNUNU-UHFFFAOYSA-N
-rxn:5:178467:225976:226959,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(C)(C)O4)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,ANWSJLRNEAAEMC-UHFFFAOYSA-N
-rxn:5:178467:225976:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,QFXACFKNXILFNM-UHFFFAOYSA-N
-rxn:5:178467:225980:227458,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)OCCN4C)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,OWAURXQOTJBQEJ-UHFFFAOYSA-N
-rxn:5:178467:226331:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,RRAFVYUWBDYCEC-UHFFFAOYSA-N
-rxn:5:178467:226331:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,ABHLPXUHEYNPME-UHFFFAOYSA-N
-rxn:5:178467:226366:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,NWIIIVPDGFHAMA-UHFFFAOYSA-N
-rxn:5:178467:226733:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2OC1,UKSRCYRECISNKZ-UHFFFAOYSA-N
-rxn:5:178467:227065:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cccc(C(=O)C(C)C)c3)c2OC1,VITSDZQLGVSGDB-UHFFFAOYSA-N
-rxn:5:178467:227297:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(CN(C)C)ccc3F)c2OC1,IXXPHEJIFXDMEY-UHFFFAOYSA-N
-rxn:5:178467:228321:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,CFNKRZMEPKLUIM-UHFFFAOYSA-N
-rxn:5:178467:228339:222956,CCOC(=O)C1=Cc2cc(-c3ccc(C)cc3C3CCCNC3)cc(-c3ccncc3C(=O)OC)c2OC1,ZXVMJLIOOQMQAS-UHFFFAOYSA-N
-rxn:5:178556:223002:226329,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)cc2F)CC1,JGCAILAERVGCLR-UHFFFAOYSA-N
-rxn:5:179418:223054:225884,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCC(O)C1,ISCLRNXAJKQNFN-UHFFFAOYSA-N
-rxn:5:179418:225585:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccccc2CN2CCOCC2)s1)N1CCC(O)C1,WEZJNAYFKCORDZ-UHFFFAOYSA-N
-rxn:5:179418:225805:225884,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCOCC1,BAEPVDZOQAUUFU-UHFFFAOYSA-N
-rxn:5:180020:226466:222983,CN1C(=O)COc2cc(-c3cc(-c4cccc(CN5CCC(O)C5)c4)ccc3OC3CCCC3=O)ccc21,LHLWCNFMELLDTK-UHFFFAOYSA-N
-rxn:5:180021:225986:227103,COc1c(-c2ccccc2N2CCCS2(=O)=O)cc(C2OCCO2)cc1-c1sccc1C1CCCCC1,OREZOFGWPMWOIA-UHFFFAOYSA-N
-rxn:5:180022:222996:223058,COc1c(-c2cc(F)nc(C3CCCNC3)c2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,KWVSBYFGAMRYKG-UHFFFAOYSA-N
-rxn:5:180022:227103:223058,COc1c(-c2cc(F)nc(C3CCCNC3)c2)ccc(-c2sccc2C2CCCCC2)c1C1OCCO1,QHMPGLJIYOYYQF-UHFFFAOYSA-N
-rxn:5:180202:225805:227710,CC(c1ccc(-c2ccc(OC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,KCCWUWLGOVNQLL-UHFFFAOYSA-N
-rxn:5:180204:225805:225987,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2OC2CCOCC2)s1)N1CCOCC1,MVPLBNXCPAWHFN-UHFFFAOYSA-N
-rxn:5:180297:226863:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(C2(C)OCCO2)c(-c2ccc(OC(F)(F)F)cc2F)cc1OC,KFEGDFVVPILJMS-UHFFFAOYSA-N
-rxn:5:180506:226857:225395,CC(C)(C)c1cc(-c2c(-c3cc(OC(F)(F)F)ccc3F)cc(C(C)(C)C)cc2C2OCCO2)cc(C2CC2)c1,VXJGOBJCLFRXNI-UHFFFAOYSA-N
-rxn:5:180602:223061:226395,COC(=O)C1Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2O1,IHLCPYXUTXPGRH-UHFFFAOYSA-N
-rxn:5:180602:223135:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cccnc3C3CCCNC3)c2O1,GVAHHMPPZJLAGL-UHFFFAOYSA-N
-rxn:5:180602:223140:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(C4CCCNC4)c3)c2O1,TVPLKABICZEBLY-UHFFFAOYSA-N
-rxn:5:180602:225926:223140,COC(=O)C1Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2O1,GNLASJUQOIZQJP-UHFFFAOYSA-N
-rxn:5:180602:226794:225833,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,MLTACUGBJUGDEG-UHFFFAOYSA-N
-rxn:5:180662:222985:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,XZJYIVHLDRWMCZ-UHFFFAOYSA-N
-rxn:5:180662:223139:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,NSQNMNFUUOVVPO-UHFFFAOYSA-N
-rxn:5:180662:223140:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,UYWQXBMBYVFSHS-UHFFFAOYSA-N
-rxn:5:180662:226427:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(N4CCC(C)CC4)cs3)c2OC1,FOUBOESRTYAXDF-UHFFFAOYSA-N
-rxn:5:180662:226665:222409,COC(=O)C1=Cc2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,WWKAMXWEVLHCRK-UHFFFAOYSA-N
-rxn:5:180662:227710:225683,COC(=O)C1=Cc2cc(-c3ccc(C4CCCOC4)nc3C)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,RCNZQSRMSXYYES-UHFFFAOYSA-N
-rxn:5:181904:222957:226330,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCC3)s2)cc(C2CCCNC2)c1,QIEFDRHUIPEJHQ-UHFFFAOYSA-N
-rxn:5:181904:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(C2CNCCO2)c1,JXCDCEWTDYTAMD-UHFFFAOYSA-N
-rxn:5:181908:222957:222985,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)c1,VGZTXVIVBZWNEO-UHFFFAOYSA-N
-rxn:5:181908:223002:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)cc2F)cc(C2CCCNC2)n1,NYZHTOVYXXZBKS-UHFFFAOYSA-N
-rxn:5:181908:225638:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)nc2)cc(C2CCNCC2)c1,ZYMXWLZCWPLOGB-UHFFFAOYSA-N
-rxn:5:181908:226330:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C(C)N3CCCC3)s2)cc(C2CCCNC2)c1,WTFXHNDTZAQQDI-UHFFFAOYSA-N
-rxn:5:182012:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccncc2C2CCCCC2)c(C2CCCOC2)c1,QSTCEZYCYMGMQC-UHFFFAOYSA-N
-rxn:5:182012:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCCC2)cc1C1CCCOC1,GBWUJCUKGKEQAD-UHFFFAOYSA-N
-rxn:5:183189:225683:223063,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)cc2c1OC(C)(C)OC2,QIVPPMRAVIPILT-UHFFFAOYSA-N
-rxn:5:183189:225684:222996,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccc(F)cc2C2CCCNC2)cc2c1OC(C)(C)OC2,CJIQZBDQBVZXGN-UHFFFAOYSA-N
-rxn:5:188787:226649:225799,O=[N+]([O-])c1cc(-c2cccnc2N2CCOCC2)c(-c2cncc(OC3CCOCC3)c2)cc1OC1CC1,SPMSWLKHMHKQDT-UHFFFAOYSA-N
-rxn:5:188867:226661:223065,CC(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCN(C)CC2)cs1,QSDQSLKXEMIGAB-UHFFFAOYSA-N
-rxn:5:188867:226662:223065,CC(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,UNTHNWKQISLUMP-UHFFFAOYSA-N
-rxn:5:188930:223105:227314,CNS(=O)(=O)c1cc(-c2cc(-c3ccc(CC(C)C)nc3F)c(C(=O)OC)cc2S(N)(=O)=O)c(F)cc1C,CDDDUTLGURDGHF-UHFFFAOYSA-N
-rxn:5:188930:227381:225600,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cccnc1OC1CCCCC1,BISGJOYTCRZKBT-UHFFFAOYSA-N
-rxn:5:188930:227451:223058,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CC3(F)F)cc2)cc1-c1cc(F)nc(C2CCCNC2)c1,NRSWTRWNAHXEGI-UHFFFAOYSA-N
-rxn:5:188930:227491:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)cc1-c1ccc(C2CCCCC2)nc1F,KGMHDYSJLKKCAJ-UHFFFAOYSA-N
-rxn:5:188932:223140:226729,COC(=O)c1cc(-c2cnc(OC3CCOC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCNC3)c2)c1,YSGTXGHRJDQBJA-UHFFFAOYSA-N
-rxn:5:188932:225613:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)c1,RFTDRMJCKSCWSQ-UHFFFAOYSA-N
-rxn:5:188932:226177:225597,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,POJLGIWZZYJEBI-UHFFFAOYSA-N
-rxn:5:188932:226177:226323,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,XJBHYSDHYHTVBQ-UHFFFAOYSA-N
-rxn:5:188932:226324:226586,COC(=O)c1cc(-c2ccnc(OC3CCOC3)c2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCC2)c1,KBQAZDXWVJOUPS-UHFFFAOYSA-N
-rxn:5:188932:226382:225597,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,WOCMYSYDOUHGHH-UHFFFAOYSA-N
-rxn:5:188932:226382:226174,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,MPLBKGZZXMXBAK-UHFFFAOYSA-N
-rxn:5:188932:226382:226323,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,JAYHQGZGPNLURJ-UHFFFAOYSA-N
-rxn:5:188932:226572:226440,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(F)nc(C3CCCC3)c2)c1,MFDCGINHRDISKE-UHFFFAOYSA-N
-rxn:5:188932:226729:223142,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCOC3)nc2)c1,RZWHEIMPTFYVKU-UHFFFAOYSA-N
-rxn:5:188932:227086:225613,COC(=O)c1cc(-c2ccnc(OC3CCCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCC3)c2)c1,NKCKUZOMLGWMDT-UHFFFAOYSA-N
-rxn:5:188932:227416:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(F)nc(C3CCC3)c2)c1,GKGLQUVUPGNSMA-UHFFFAOYSA-N
-rxn:5:189078:225978:226661,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,KTORCBGRYDJZCN-UHFFFAOYSA-N
-rxn:5:189078:226425:226583,CCN(C)C(=O)c1cc(-c2ccc(N3CCCCC3C)s2)ccc1-c1ccc(CN2CCOCC2)s1,GKFLSRBLWVYNMD-UHFFFAOYSA-N
-rxn:5:189083:226662:225976,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCOCC2)c1F,LUXXNSPGYLNQHW-UHFFFAOYSA-N
-rxn:5:189207:223252:223281,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c3c(c2)NCCO3)ccc1-c1ccc(C2(O)COC2)nc1,RPPLZGSNCFUHAI-UHFFFAOYSA-N
-rxn:5:189207:228304:225634,Cc1cc(-c2ccc(-c3cnc(OC(C)C)nc3)cc2C(=O)ON2C(=O)CCC2=O)cnc1N1CCCCC1,YJUKIKWOXQJBQW-UHFFFAOYSA-N
-rxn:5:189208:223147:228869,COC(=O)c1cc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cs1,GICWZYMTXCOQPB-UHFFFAOYSA-N
-rxn:5:189208:225636:228586,CC1CCN(c2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccnc4C(C)C)c3)ccn2)CC1,SDUZMSJCBSGETA-UHFFFAOYSA-N
-rxn:5:189208:227934:223065,CCOc1ccc(C)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(N4CCNCC4)cc3F)c2)c1,JAXATCCMFQMHIE-UHFFFAOYSA-N
-rxn:5:189209:223131:228306,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCNCC4)cc3)c2)cn1,URDOLKKGVJIEBV-UHFFFAOYSA-N
-rxn:5:189209:223252:223132,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCNCC3)c2)cc(-c2cc(F)c3c(c2)NCCO3)c1,ICIDPHAEEIIOJC-UHFFFAOYSA-N
-rxn:5:189209:223294:227027,N#CC1(c2ccccc2-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3csc(N4CCNCC4)n3)c2)CC1,WLMYWQOXULOWLC-UHFFFAOYSA-N
-rxn:5:189209:226320:223240,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C5CCNC5)nc4)c3)c2)CC1,SVSSRNNIQGSUNW-UHFFFAOYSA-N
-rxn:5:189211:227385:225868,Cc1nc(C(C)(C)C)ncc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(N2CCOCC2)c(F)c1,LCAWCVABTWKOPM-UHFFFAOYSA-N
-rxn:5:189211:227965:222958,Cc1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2c(C)ccnc2C(C)C)cc1C1CCNCC1,UPCHRXWEGOXMJK-UHFFFAOYSA-N
-rxn:5:189212:223294:227021,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3csc(N4CCNCC4)n3)cc2)CC1,PDNJYWZUWAXRIR-UHFFFAOYSA-N
-rxn:5:189212:227377:226320,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cncnc3C3CCCC3)c2)CC1,YMYZAQVQHZZLAA-UHFFFAOYSA-N
-rxn:5:189448:227387:225986,COC1CN(C(=O)c2ccc(-c3ccnc(N4CCCC4)c3)c(-c3ccccc3N3CCCS3(=O)=O)c2)C1,FFQYGKPTGCONDR-UHFFFAOYSA-N
-rxn:5:189665:222988:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc(C2CCNCC2)n1,SUCBQRKGNWXNRY-UHFFFAOYSA-N
-rxn:5:189674:223018:227076,CCC(C)c1ccc(F)c(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c1,AFRTYKOXHSEVQG-DPNNOFEESA-N
-rxn:5:189908:222988:227507,Cc1cc(-c2cnc(-c3cccc(C=C[N+](=O)[O-])c3)c(OCC3CCCCC3)c2)cc(C2CCNCC2)n1,YPNOMYKHZJNJOG-UHFFFAOYSA-N
-rxn:5:189952:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,OUONOJKQUJDVPP-UHFFFAOYSA-N
-rxn:5:189952:225655:223113,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,KOMQNWSGLXRJFW-UHFFFAOYSA-N
-rxn:5:189952:227316:223061,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,ISLPBOXWLOZCJP-UHFFFAOYSA-N
-rxn:5:189952:228703:226679,COc1c(-c2cnn(C3CCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,AXDNMWWNXDWPQS-UHFFFAOYSA-N
-rxn:5:190131:226450:223263,CNC(=O)c1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3cccc(C4(C)OCCO4)c3)c2OC)c1,WQACPVBQQICMAZ-UHFFFAOYSA-N
-rxn:5:190132:225985:227387,COC1CCN(C(=O)c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,CYZTWLGVTIJDBG-UHFFFAOYSA-N
-rxn:5:190132:227935:226062,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cc(C(C)C)cc(C(C)C)c3)c2)ccc1OC,MCZBOHNNJLZDQY-UHFFFAOYSA-N
-rxn:5:190194:225677:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)nc2F)c1OC,FTLYLWHBTUIABJ-UHFFFAOYSA-N
-rxn:5:190194:227810:225507,CCC(C)c1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc3c(c2)CCC3C(=O)OC)cc1,JKHQRSJIDHTPKC-UHFFFAOYSA-N
-rxn:5:190195:223056:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(N2CCC(O)CC2)nc1,IGUNDNRRTJFAPG-UHFFFAOYSA-N
-rxn:5:190195:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(C3CCNCC3)cc2F)c1)C1CCOCC1,CKOKAHNSRKPACC-UHFFFAOYSA-N
-rxn:5:190196:223056:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1CN(C)C1CCOCC1,OMHQTQBVYJUVRP-UHFFFAOYSA-N
-rxn:5:190196:226590:227495,CCN(C)c1cc(-c2cc(-c3ccc(OC4CCOC4)nc3)ccc2CN(C)C2CCOCC2)c(F)cn1,DNJORKKVOSAZFW-UHFFFAOYSA-N
-rxn:5:190197:223113:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ICNNIRDASQVLQN-UHFFFAOYSA-N
-rxn:5:190197:225679:227950,Cc1ccc(N(C)C)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCCCC3)cc2F)c1,YXHIOSYAYHZEJO-UHFFFAOYSA-N
-rxn:5:190197:226583:227297,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,LXJNUKQKANCFOB-UHFFFAOYSA-N
-rxn:5:190199:228141:222960,CCCc1cc(F)c(-c2ccc(-c3cc(C)cc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cn1,UHLXETWOKXNTJG-UHFFFAOYSA-N
-rxn:5:190201:225976:223113,CC1CN(CCc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,OYUZUPDYXGTHFB-UHFFFAOYSA-N
-rxn:5:190307:222988:226737,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)c(CCN3CCC(C)CC3)c2)cc(C2CCNCC2)n1,VAOFOSLXDJTKFY-UHFFFAOYSA-N
-rxn:5:190484:227385:227068,Cc1nc(C(C)(C)C)ncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(CC(C)C)cc3F)S(=O)(=O)CC2)c1,XAEILDJVSKEEOU-UHFFFAOYSA-N
-rxn:5:190484:227525:227415,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)CC2)c1,VPKOCZMWKCUDPB-UHFFFAOYSA-N
-rxn:5:190484:227820:227415,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cc1,HZVWHRBSHQMHIK-UHFFFAOYSA-N
-rxn:5:190484:227831:228195,CCc1c(C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C(C)(C)C)nc4C)S(=O)(=O)CC3)c2)cc1C,STZMFCIGQNLEFP-UHFFFAOYSA-N
-rxn:5:190484:227906:227706,CCC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(OC)cnc3C(F)F)S(=O)(=O)CC2)c1,SDKMMSKKFZCUJT-UHFFFAOYSA-N
-rxn:5:190484:227910:227412,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)cn1,XNCFAIQGWLNHBE-UHFFFAOYSA-N
-rxn:5:190484:228107:226346,CCC(C)c1ncncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C)cc(OC(C)C)c3F)S(=O)(=O)CC2)c1,NJFNFYWEAFPFDK-UHFFFAOYSA-N
-rxn:5:190484:228222:227415,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cc(F)n1,IVEBUTOIQQBVEP-UHFFFAOYSA-N
-rxn:5:190484:228306:227124,CC(C)Sc1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)cn1,DXAAKUINKNBJMK-UHFFFAOYSA-N
-rxn:5:190484:228965:223138,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,ZGVZFVPWWWFCRU-UHFFFAOYSA-N
-rxn:5:190579:223065:223054,CCOC(=O)c1[nH]c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(C(C)N2CCC(O)C2)s1,RQCYYFIXGAHJTQ-UHFFFAOYSA-N
-rxn:5:190579:225834:225607,CCOC(=O)c1[nH]c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,WEOKYAVEEZFZRA-UHFFFAOYSA-N
-rxn:5:190579:225849:225805,CCOC(=O)c1[nH]c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,NVYBOEMSNYTHPG-UHFFFAOYSA-N
-rxn:5:190651:225976:225805,CCOC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c2nccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1,LLYSGUDCHRBYFI-UHFFFAOYSA-N
-rxn:5:190651:225976:225943,CCOC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c2nccc(-c3ccc(C(=O)N4CCOCC4)s3)c2c1,BPDRGAVKGUFGIL-UHFFFAOYSA-N
-rxn:5:190651:225982:225943,CCOC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)c2nccc(-c3ccc(C(=O)N4CCOCC4)s3)c2c1,MEGOWPLDOYZJGO-UHFFFAOYSA-N
-rxn:5:190740:222989:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3C)cc2c1-c1ccnc(N2CCOCC2)c1F,HWLHFVJVKZZGPL-UHFFFAOYSA-N
-rxn:5:190740:223000:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCCNC4)c(F)c3)cc2c1-c1cnc(OC2CCCCC2)nc1,BAGLNMJSIVCMCP-UHFFFAOYSA-N
-rxn:5:190740:223061:223064,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,BKVJZXFQPWZOIX-UHFFFAOYSA-N
-rxn:5:190740:223061:225784,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,NMIDJBNDMRTULT-UHFFFAOYSA-N
-rxn:5:190740:223061:225976,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,WIGPFCRJLLKLSQ-UHFFFAOYSA-N
-rxn:5:190740:223064:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cc(C2CCNCC2)ncc1F,ZWXHSPLQBAFSQP-UHFFFAOYSA-N
-rxn:5:190740:223064:225799,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cncc(OC2CCOCC2)c1,MHOPKJLOMYNFHK-UHFFFAOYSA-N
-rxn:5:190740:223065:225653,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCCCC2C)nc1,SGJLFNUTKGLTGC-UHFFFAOYSA-N
-rxn:5:190740:225638:225595,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)nc3)cc2c1-c1ccc(F)c(CN2CCCC2)c1,WBFRFAJSNMSQQW-UHFFFAOYSA-N
-rxn:5:190740:225808:225636,CCOC(=O)c1cnc2c(C)cc(-c3cc(OC4CCCC4)ncc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,WVJVSGDTQURSOL-UHFFFAOYSA-N
-rxn:5:190740:225833:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,HKODHCSFOVQERE-UHFFFAOYSA-N
-rxn:5:190740:225833:225798,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(OC2CCOCC2)nc1,BVIDOJUWPWDBSP-UHFFFAOYSA-N
-rxn:5:190740:225833:225799,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cncc(OC2CCOCC2)c1,VSTKQITXNSKCDP-UHFFFAOYSA-N
-rxn:5:190740:225849:225452,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(OC2C=CCCC2)cc1,LXTQRKPZXZQSRM-UHFFFAOYSA-N
-rxn:5:190740:225870:225794,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)cc(N4CCOCC4)c3)cc2c1-c1cnc(OC2CCCCC2)nc1,LYYPREMKBJCIRE-UHFFFAOYSA-N
-rxn:5:190740:225881:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,WOWRHNGDOJQEHS-UHFFFAOYSA-N
-rxn:5:190740:225976:225640,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCCCC2C)c1,BMYRHIYESIREGS-UHFFFAOYSA-N
-rxn:5:190740:225980:225639,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cccnc1N1CCC(C)CC1,KHINVFUZFUFROD-UHFFFAOYSA-N
-rxn:5:190740:225980:226662,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(N2CCN(C)CC2)s1,RZPMHGGBZUKVRW-UHFFFAOYSA-N
-rxn:5:190740:225982:225655,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,YMKFOVSWITVSPW-UHFFFAOYSA-N
-rxn:5:190740:225982:225799,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cncc(OC2CCOCC2)c1,ASOYHPHFFBMAMI-UHFFFAOYSA-N
-rxn:5:190741:223064:225597,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(OC2CCCCC2)nc1,GUPHZEPADQESFV-UHFFFAOYSA-N
-rxn:5:190741:223065:225439,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cccc(C(C)N2CCCC2)c1,ZGCQGVZTNMYDTQ-UHFFFAOYSA-N
-rxn:5:190741:223065:225462,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cccc(N2CCC(C)CC2)c1,KWGZZXJTAQFSTE-UHFFFAOYSA-N
-rxn:5:190741:225607:226679,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1cnc(N2CCCC2)cc1F,QRRZHXHUQGMSOI-UHFFFAOYSA-N
-rxn:5:190741:225639:223065,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)cc(C)cc2c1-c1ccc(N2CCNCC2)cc1F,OUIIUMRHMQBVHQ-UHFFFAOYSA-N
-rxn:5:190741:225639:225595,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)cc(C)cc2c1-c1ccc(F)c(CN2CCCC2)c1,IVLJJNPRKAIEKG-UHFFFAOYSA-N
-rxn:5:190741:225639:225833,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,AQOSTPHYHALGHG-UHFFFAOYSA-N
-rxn:5:190741:225802:223063,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1cc(F)nc(C2CCNCC2)c1,VMRFHZLHHODKDZ-UHFFFAOYSA-N
-rxn:5:190741:225802:225641,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,LMSABYQAHDQBGI-UHFFFAOYSA-N
-rxn:5:190741:225802:225784,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,VYSWXWGMQNPFPX-UHFFFAOYSA-N
-rxn:5:190741:225833:225636,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,LLKMDWXBADCNJV-UHFFFAOYSA-N
-rxn:5:190741:225833:225638,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,WWZFDCLMNLAGTL-UHFFFAOYSA-N
-rxn:5:190741:225879:225794,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,JHWSEODMQHSDFI-UHFFFAOYSA-N
-rxn:5:190741:225976:222987,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1C,GTRWDUPJPOKLNZ-UHFFFAOYSA-N
-rxn:5:190741:225976:225640,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCCC2C)c1,FIAOYFKJAIDTAC-UHFFFAOYSA-N
-rxn:5:190741:225980:225636,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,RDHJRDUHDNKKOB-UHFFFAOYSA-N
-rxn:5:190741:225982:225654,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCCC(C)C2)nc1,PBWRUIIGQZVPIZ-UHFFFAOYSA-N
-rxn:5:190741:226426:225595,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1ccc(F)c(CN2CCCC2)c1,YZOHJJVTIXCTMP-UHFFFAOYSA-N
-rxn:5:190741:226426:225666,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1cc(F)cc(N2CCCCC2)c1,RLHHLNLKSZMYLE-UHFFFAOYSA-N
-rxn:5:190742:223056:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,UHEUNKUINAMMTO-UHFFFAOYSA-N
-rxn:5:190742:223062:226583,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)s1,LQFWJRCVSWUOHA-UHFFFAOYSA-N
-rxn:5:190742:223065:225641,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(N2CCCC(C)C2)c1,BZBLFHHPBVGQHQ-UHFFFAOYSA-N
-rxn:5:190742:223065:225654,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCCC(C)C2)nc1,FQJJPYHNJMSADP-UHFFFAOYSA-N
-rxn:5:190742:225590:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,AIGOHYPSGJNCKV-UHFFFAOYSA-N
-rxn:5:190742:225794:225874,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(OC4CCCCC4)nc3)c2c1-c1ccc(F)c(N2CCOCC2)c1,CILWQBDHFSAFME-UHFFFAOYSA-N
-rxn:5:190742:225978:225600,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cccnc1OC1CCCCC1,FSWFAPQHTSSFRW-UHFFFAOYSA-N
-rxn:5:190742:225978:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cnc(N2CCOCC2)cc1F,GSAIDTIJNCPGAY-UHFFFAOYSA-N
-rxn:5:190742:225982:225641,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCCC(C)C2)c1,YSVHLISGYUDYBK-UHFFFAOYSA-N
-rxn:5:190742:225982:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,GZWYDMXSUQXZML-UHFFFAOYSA-N
-rxn:5:190742:226330:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1ccc(N2CCNCC2)cc1F,DYMTVSVHHCDLAA-UHFFFAOYSA-N
-rxn:5:190742:226330:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1ccnc(N2CCCCC2)c1F,BXRKZNDKXAADKC-UHFFFAOYSA-N
-rxn:5:190742:226661:222996,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccc(F)cc1C1CCCNC1,PHPUAFIDMMSJOJ-UHFFFAOYSA-N
-rxn:5:190743:225784:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(C2CCNCC2)ncc1F,KCYHOHPAIZJPOX-UHFFFAOYSA-N
-rxn:5:190743:225976:223006,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,FFWDZPHAIBEYGA-UHFFFAOYSA-N
-rxn:5:190744:223062:225881,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCOCC2)nc1F,ULALGTXFXOFADX-UHFFFAOYSA-N
-rxn:5:190744:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,MBJMRCXYRFQWOK-UHFFFAOYSA-N
-rxn:5:190744:223065:225613,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(OC2CCCCC2)c1,HNKZSEUFPCPOAT-UHFFFAOYSA-N
-rxn:5:190744:223065:225631,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCN(C)CC2)cc1,BWZWSKKJVZRHCU-UHFFFAOYSA-N
-rxn:5:190744:225592:225638,CCOC(=O)c1cnc2c(-c3cc(F)ccc3CN3CCCC3)c(C)ccc2c1-c1ccc(N2CCC(C)CC2)nc1,NGLJPIJTXXTSTI-UHFFFAOYSA-N
-rxn:5:190744:225639:225870,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cc(F)cc(N2CCOCC2)c1,KCXIUMCLGZOYQP-UHFFFAOYSA-N
-rxn:5:190744:225794:223000,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1ccc(C2CCCNC2)c(F)c1,ZJXWLKOZTLQQEQ-UHFFFAOYSA-N
-rxn:5:190744:225833:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,QGZUZZKTJAOBMC-UHFFFAOYSA-N
-rxn:5:190744:225980:225980,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,TYHXYJIVUPMPEX-UHFFFAOYSA-N
-rxn:5:190744:226662:222998,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1cc(F)cc(C2CCCNC2)c1,NQMYAVPWFWJQOZ-UHFFFAOYSA-N
-rxn:5:190744:226662:223065,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,HFXZJRRKNGWBJM-UHFFFAOYSA-N
-rxn:5:190799:226898:225583,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2cccc(C(=O)N3CCCC3)c2)ccc2c1ccn2C(=O)OC(C)(C)C,PZVBGCDKSALWFL-UHFFFAOYSA-N
-rxn:5:190832:222982:226450,CCOC(=O)c1cnc2cc(C)c(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C)c2c1-c1cccc(C2(C)OCCO2)c1,LQGDMBSQLLWQRN-MUUNZHRXSA-N
-rxn:5:190832:226794:225804,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1ccc(C(=O)N2CCC2)c(F)c1,KBMCQJFPBJXJRU-UHFFFAOYSA-N
-rxn:5:190832:226794:225833,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,VBRFMHNRFRJKPA-UHFFFAOYSA-N
-rxn:5:190833:226322:228515,CCc1cccc(C)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,KCWPNNSQGJBNFH-UHFFFAOYSA-N
-rxn:5:190833:228231:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(N(C)C)cc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,PLDMMVPENDTZPG-UHFFFAOYSA-N
-rxn:5:190998:225982:227387,COC(=O)c1cc(-c2ccnc(N3CCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,VSMQKVWLAZDKGM-UHFFFAOYSA-N
-rxn:5:190998:226449:227989,CC#Cc1ccc(F)c(-c2ccc(N3Cc4cc(-c5ccccc5C5(C)OCCO5)ccc4OCC3=O)c(C(=O)OC)c2)c1,WXZRRUZFSZSWKP-UHFFFAOYSA-N
-rxn:5:190998:228567:226059,CCC(C)c1sccc1-c1ccc2c(c1)CN(c1ccc(-c3ccc(C(C)C)cc3C(C)C)cc1C(=O)OC)C(=O)CO2,AMDHIGPHYIMMEE-UHFFFAOYSA-N
-rxn:5:191026:226211:228524,COC(=O)C1=CN(c2ccc(C)c(-c3cnc4c(c3)CCC4)c2)c2cc(-c3ccc4c(c3)CCN4C(C)=O)ccc2S1(=O)=O,WRDOQQVWADZGOV-UHFFFAOYSA-N
-rxn:5:191026:227821:227052,CCc1c(C)cc(C)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(SC(C)(C)C)cc3)c1)C=C(C(=O)OC)S2(=O)=O,OOSZTAQFRVXJFG-UHFFFAOYSA-N
-rxn:5:191026:227909:226058,CCC(C)c1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C(C)C)cccc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)ccn1,NEWMHEAUBZHFFQ-UHFFFAOYSA-N
-rxn:5:191026:228567:227102,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C(C)(C)C)ccc3F)c1)C=C(C(=O)OC)S2(=O)=O,NELCRIMTRYBESE-UHFFFAOYSA-N
-rxn:5:191049:226322:227736,COc1cc(N2Cc3cc(-c4ccc(C(=O)N(C)C)cc4C)ccc3OCC2=O)c(OC)cc1-c1cc(C(F)(F)F)cnc1C,WDXDREYEPVRUPZ-UHFFFAOYSA-N
-rxn:5:191802:225607:225802,CC(c1ccc(-c2cc(-c3ccc(OC4CCCC4)nc3F)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,LJLHBYBSWYZPPG-UHFFFAOYSA-N
-rxn:5:191802:225607:225806,CC(c1ccc(-c2cc(-c3cnc(OC4CCCC4)cc3F)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,PTSLPWHYJPJRME-UHFFFAOYSA-N
-rxn:5:192235:226649:223054,COc1cc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(N)(=O)=O,XAPFWAVHRWKGHS-UHFFFAOYSA-N
-rxn:5:192236:225674:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cnc(C2CCCCC2)cc1F,PIZSXRKNTLSQEL-UHFFFAOYSA-N
-rxn:5:192562:223001:225985,N#CC1(c2ccc(-c3cc(C4CCCNC4)ccc3F)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)CCC1,NJFUTRRMNWDLGX-UHFFFAOYSA-N
-rxn:5:192565:223007:225985,N#CC1(c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CCC1,CSNQBRUGGAAFBN-UHFFFAOYSA-N
-rxn:5:192565:223008:225985,N#CC1(c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)CCC1,LNWSPFBFSNYOJP-UHFFFAOYSA-N
-rxn:5:192566:222998:225985,N#CC1(c2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2)CCC1,UWJQPZOSVZEJEL-UHFFFAOYSA-N
-rxn:5:193046:225621:226762,CSc1cc(-c2c(-c3ccc(OC4CCOC4)c(C)c3)cc(C(C)(C)C)cc2[N+](=O)[O-])cc(C(F)(F)F)c1,CONDKBPHVQRGHI-UHFFFAOYSA-N
-rxn:5:193055:226347:222998,Cc1cc(-c2ccc(C3(C#N)CCCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)c(OC(C)C)cc1F,UXCYRBTYTNJGJN-UHFFFAOYSA-N
-rxn:5:193156:226424:225985,CC1CCCN(c2csc(-c3cc(CN4CCCC4)cc(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)C1,IQLBRZSEEHHFEB-UHFFFAOYSA-N
-rxn:5:193225:223004:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1C(=O)N1CCOCC1,NVNJIEWAVMAGMM-UHFFFAOYSA-N
-rxn:5:193227:225978:223061,O=C(c1cc(-c2cc(C3CCNCC3)ncc2F)cc(-c2ccc(N3CCOCC3)nc2F)c1)N1CCOCC1,DJWNWPVWNFVHOE-UHFFFAOYSA-N
-rxn:5:193228:226047:225818,O=C(c1cc(-c2ccc(C(F)(F)F)cc2C2CC2)cc(-c2ccc(OC(F)(F)F)c(F)c2F)c1)N1CCSCC1,PTMQBQKVRCUDFW-UHFFFAOYSA-N
-rxn:5:193229:223061:226664,O=C(c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cc(N2CCCC2)ncc1F)N1CCOCC1,OJORYNYGPKBMIO-UHFFFAOYSA-N
-rxn:5:193335:225654:227103,CC1CCCN(c2ccc(-c3cccc(-c4sccc4C4CCCCC4)c3CN3CCOCC3)cn2)C1,IDHRXHHYJNMZNR-UHFFFAOYSA-N
-rxn:5:193338:222988:226085,Cc1cc(-c2cc(CN3CCOCC3)cc(-c3ccc4c(c3)CCC(C)(C)O4)c2)cc(C2CCNCC2)n1,PEDBPOHWNKOWGA-UHFFFAOYSA-N
-rxn:5:193382:222986:222985,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCNC4)nc3C)c2)cc(C2CCCNC2)n1,GJOMDWFWYUKYNQ-UHFFFAOYSA-N
-rxn:5:193382:222986:226411,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)cc3)c2)cc(C2CCCNC2)n1,MTGSWGHSKIFMCF-UHFFFAOYSA-N
-rxn:5:193382:223058:226415,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,DQZHMXXXEHJTKZ-UHFFFAOYSA-N
-rxn:5:193382:223058:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1S(=O)(=O)N1CCOCC1,IZMDLYUBLPLAEZ-UHFFFAOYSA-N
-rxn:5:193382:223240:225926,O=S(=O)(c1ccc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,XQNNSOBVQGTTGK-UHFFFAOYSA-N
-rxn:5:193382:223241:222960,Cc1cc(-c2cc(-c3cncc(C4CCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,FJEOOGXIBCDREI-UHFFFAOYSA-N
-rxn:5:193382:223295:227684,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(CC4OCCO4)c3)c2)c1,KMORFOBBMQYINK-UHFFFAOYSA-N
-rxn:5:193382:225639:227780,CC1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3c(F)ccc([N+](=O)[O-])c3F)c2)CC1,YBKFSMISSFEFET-UHFFFAOYSA-N
-rxn:5:193382:225868:226413,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,LFJIQWMUNCKALB-UHFFFAOYSA-N
-rxn:5:193382:225880:226644,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,PUHQTXPDBXFCPU-UHFFFAOYSA-N
-rxn:5:193382:225880:226645,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,YRHSHKMVPAFYSW-UHFFFAOYSA-N
-rxn:5:193382:225980:223200,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,RDVDFLVFKVKCCX-UHFFFAOYSA-N
-rxn:5:193382:225982:223142,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,UHLFLQYTMOZWHL-UHFFFAOYSA-N
-rxn:5:193382:226050:226826,Cc1cc(-c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2S(=O)(=O)N2CCOCC2)c(F)c(C(F)(F)F)c1,NGIZFZLSAKDZIC-UHFFFAOYSA-N
-rxn:5:193382:226366:222958,Cc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,NQJNXJMPQZKHEH-UHFFFAOYSA-N
-rxn:5:193382:226662:223054,CC(c1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,UJGCBTJDAQCDMD-UHFFFAOYSA-N
-rxn:5:193382:226662:226583,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(CN5CCOCC5)s4)c3)s2)CC1,GYVSBZJJFLUWRC-UHFFFAOYSA-N
-rxn:5:193382:227498:225438,COc1cc(N(C)C)ncc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C(C)N3CCCC3)cc2)c1,QROHDKBFLQMNHC-UHFFFAOYSA-N
-rxn:5:193382:227684:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,AQEYQXCZFVBIOI-UHFFFAOYSA-N
-rxn:5:193459:225583:225821,O=C(c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1)N1CCCCC1,XDFUBIFIJXPSGZ-UHFFFAOYSA-N
-rxn:5:193463:227587:225594,COc1cc(-c2ccc(CN3CCC(=O)CC3)c(-c3ccc(F)cc3CN3CCCC3)c2)cc(F)c1OC,BEANHIHKXSBQES-UHFFFAOYSA-N
-rxn:5:193464:226779:225472,CC1CCCCN1c1cccc(-c2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2C2(C#N)CCCCC2)c1,XIUZZQRIHHIULK-UHFFFAOYSA-N
-rxn:5:193506:222993:228918,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCCC4O)c3)cc2-c2cnccc2C(F)F)CC1,BPLMNGUPJIJSNO-UHFFFAOYSA-N
-rxn:5:193506:223065:228623,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2sccc2C2CCC2)CC1,BSZZMNOQLJHJTR-UHFFFAOYSA-N
-rxn:5:193506:223065:228631,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccsc2C2CCC2)CC1,CAEYPEBSNMJABN-UHFFFAOYSA-N
-rxn:5:193506:223131:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2-c2cc(F)nc(C3CC3)c2)CC1,KBOYJTDQIJQUPO-UHFFFAOYSA-N
-rxn:5:193506:223135:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cccnc3C3CCCNC3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,WXKCMUKECUQUJH-UHFFFAOYSA-N
-rxn:5:193506:223148:223384,CNC(=O)c1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,OOUQPOPEBRYLQN-UHFFFAOYSA-N
-rxn:5:193506:223148:226429,CC1CCCN(c2ccc(-c3cc(-c4ccccc4C4CNCCO4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)C1,ASOICNKOEIMQCO-UHFFFAOYSA-N
-rxn:5:193506:223240:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccc(C3CCNC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,NSFKBCLSUWJNTL-UHFFFAOYSA-N
-rxn:5:193506:223242:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCNC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,IVNDOPOUQBKDDP-UHFFFAOYSA-N
-rxn:5:193506:223252:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2ccc(N3CCCC3)s2)CC1,FWUOKPPWCYICMO-UHFFFAOYSA-N
-rxn:5:193506:223313:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(O)CC4)cc3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ZGIHFNFFDNRWNO-UHFFFAOYSA-N
-rxn:5:193506:223355:223138,CNC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNCC3)c2)c1,VFARDYYBKBPIPZ-UHFFFAOYSA-N
-rxn:5:193506:225448:228540,Cc1ccc(OC2CCCC2)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc4c3COC4)c2)c1,MLDKJUNQYTWJRL-UHFFFAOYSA-N
-rxn:5:193506:225666:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2cc(C3CC3)cs2)CC1,YSJKUVKGTGQEAV-UHFFFAOYSA-N
-rxn:5:193506:225666:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2ccc(C3CC3)s2)CC1,DVKKWOMLXDPDSG-UHFFFAOYSA-N
-rxn:5:193506:225679:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2cc(C3CC3)cs2)CC1,VNHUZQBQAQMWTG-UHFFFAOYSA-N
-rxn:5:193506:225679:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2ccc(C3CC3)s2)CC1,POQWEHOUEWEPQB-UHFFFAOYSA-N
-rxn:5:193506:225805:226665,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCOC4)nc3)c2)s1)N1CCOCC1,ULQDTLLKSXFOLJ-UHFFFAOYSA-N
-rxn:5:193506:225849:229016,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccsc2C2CC2)CC1,JJGFMZPSDKSBLN-UHFFFAOYSA-N
-rxn:5:193506:226414:223313,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccc(C3(O)CC3)cc2)CC1,GVZGWUWXGZQUSR-UHFFFAOYSA-N
-rxn:5:193506:226414:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,KIOWKGUQNJVXFS-UHFFFAOYSA-N
-rxn:5:193506:226414:228236,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccnc(F)c2C2CC2)CC1,GLZPGQONAGKFLC-UHFFFAOYSA-N
-rxn:5:193506:226679:228623,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2sccc2C2CCC2)CC1,MQLDOQTXLQKXGK-UHFFFAOYSA-N
-rxn:5:193506:227403:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cc(F)nc(C3CC3)c2)CC1,IQEWWYPAVLHDNV-UHFFFAOYSA-N
-rxn:5:193506:227404:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(F)nc(C3CC3)c2)CC1,USYVUPVQRRZQHO-UHFFFAOYSA-N
-rxn:5:193506:227416:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ICGXQGFQFMIJPS-UHFFFAOYSA-N
-rxn:5:193506:227654:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3OCCO3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,XPPGZNKYHAUFEE-UHFFFAOYSA-N
-rxn:5:193506:227657:225805,CC(c1ccc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,RAUIHNBVBAZHAG-UHFFFAOYSA-N
-rxn:5:193506:227679:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2-c2ccc(N3CCSCC3)nc2)CC1,NCUZSLXAENVVEK-UHFFFAOYSA-N
-rxn:5:193506:227680:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OC(F)(F)O4)cc2-c2ccc(N3CCSCC3)nc2)CC1,WYRSBYGSLCKMRB-UHFFFAOYSA-N
-rxn:5:193506:227980:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,YCJGHQWPJYCQJN-UHFFFAOYSA-N
-rxn:5:193506:227992:222959,Cc1cc(-c2cc(-c3ccc(C4COC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,NMILJKYYSFVQTG-UHFFFAOYSA-N
-rxn:5:193506:227997:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,BXTGCXXHCIFHBV-UHFFFAOYSA-N
-rxn:5:193506:227997:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,ONRVKCPUDHLUAY-UHFFFAOYSA-N
-rxn:5:193506:228002:223252,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CCCC3)cc2-c2cc(F)c3c(c2)NCCO3)CC1,CPMVOYFIJUMNOT-UHFFFAOYSA-N
-rxn:5:193506:228020:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCCCC3)s2)CC1,WLXLGUKRMZTLMI-UHFFFAOYSA-N
-rxn:5:193506:228079:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2ccnc(N3CCCCC3)c2F)CC1,ACOYPYAHYQTMJD-UHFFFAOYSA-N
-rxn:5:193506:228079:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2ccc(N3CCCC3)nc2F)CC1,YBKSUBQDIJAJEP-UHFFFAOYSA-N
-rxn:5:193506:228211:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cs3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,JWERHLPWBOEXAA-UHFFFAOYSA-N
-rxn:5:193506:228221:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2cccc(N3CCNCC3)c2)CC1,HLKLMBGWBIRHQI-UHFFFAOYSA-N
-rxn:5:193506:228221:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2cc(N3CCCCC3)cs2)CC1,VDWBITMYODQVGU-UHFFFAOYSA-N
-rxn:5:193506:228236:226159,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2cccc(N3CCCCC3)c2)CC1,PCFUFIVHDPJWLG-UHFFFAOYSA-N
-rxn:5:193506:228527:223063,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCC4)cc2-c2cc(F)nc(C3CCNCC3)c2)CC1,KGNQRISAIWURJO-UHFFFAOYSA-N
-rxn:5:193506:229009:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cs3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,CUWYXOIJLCMQED-UHFFFAOYSA-N
-rxn:5:193506:229011:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)s3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,DGAOSNHVLBOGRZ-UHFFFAOYSA-N
-rxn:5:193506:229016:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3ccsc3C3CC3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,CGSMNVJZLADDBA-UHFFFAOYSA-N
-rxn:5:193506:229079:225805,CC(c1ccc(-c2cc(-c3csc(C4CC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,MHOVAFXAMBIVDJ-UHFFFAOYSA-N
-rxn:5:193598:227402:226887,CC1CN(C(=O)c2cc(-c3cc(F)nc(C(C)(C)C)c3)ccc2-c2ccc(F)c(C(F)(F)F)c2F)CCO1,VOUZGPONUFTWQV-UHFFFAOYSA-N
-rxn:5:193598:227558:226749,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(OC(F)F)cc2C)cc1C(=O)N1CCOC(C)C1,SHEGHBWKFOWLFY-UHFFFAOYSA-N
-rxn:5:193710:226147:225803,Cc1cc(OC(C)C)cc(C)c1-c1cccc(N2C(=O)C(=Cc3ccc(-c4ccnc(OC5CCOCC5)c4)cc3)SC2=S)c1,WQQJBFHKGLPCKC-UHFFFAOYSA-N
-rxn:5:193710:226733:225602,CN(C)S(=O)(=O)c1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5cc(C6(C#N)CCC6)ccc5F)cc4)SC3=S)c2)cc1,GOTZBXPRMSPYQK-UHFFFAOYSA-N
-rxn:5:193753:226046:225986,CC1CCCCN1C(=O)c1cc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,NEGFSRLEIWGTOK-UHFFFAOYSA-N
-rxn:5:193756:225591:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,VUMVIKCRAPKCQP-UHFFFAOYSA-N
-rxn:5:193756:225636:227968,CC1CCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cnccc4C4CCC4)c3)ccn2)CC1,GUQJHZFLZHMDAK-UHFFFAOYSA-N
-rxn:5:193756:225656:226744,CCc1cc(-c2cc(-c3cncc(N4CCCCC4C)c3)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,LYBOOYULVKJTFO-UHFFFAOYSA-N
-rxn:5:193756:225819:225591,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(CN2CCCC2)ccc1F,ICEZZZAMARNYBZ-UHFFFAOYSA-N
-rxn:5:193756:226177:225808,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cc(OC2CCCC2)ncc1F,NGDPPMYEKMJGNX-UHFFFAOYSA-N
-rxn:5:193756:226744:227413,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCC4)cc3F)c2)cnc1C(F)(F)F,PDHCANTWKGVMQE-UHFFFAOYSA-N
-rxn:5:193866:227390:228468,Cc1c(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccnn2C2CCCCC2)cncc1[N+](=O)[O-],VUJAFCRLBCDHJT-UHFFFAOYSA-N
-rxn:5:193869:223146:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cccc(C4CNCCO4)c3)cc2C)s1,XUVPUGQJGOECEX-UHFFFAOYSA-N
-rxn:5:193869:225462:228890,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,AKUBVEZAEGPZDD-UHFFFAOYSA-N
-rxn:5:193869:225470:228890,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,JGVYEVWSONQHDP-UHFFFAOYSA-N
-rxn:5:193869:225636:228744,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(F)c(C#N)c1,MAXDXTRPNSORJD-UHFFFAOYSA-N
-rxn:5:193869:225636:228885,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C#N)c(F)c1,PHKXJBDSYWRHNK-UHFFFAOYSA-N
-rxn:5:193869:225636:228890,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,MEIDEQOKAJBBNP-UHFFFAOYSA-N
-rxn:5:193869:226661:223148,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,RUIBQVYWFJTZGS-UHFFFAOYSA-N
-rxn:5:193869:228133:226366,Cc1cc(-c2ccc(F)c(CC#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,GCBXSOOOJSYSLE-UHFFFAOYSA-N
-rxn:5:193869:228744:225636,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,WYWGTODVEYPSKB-UHFFFAOYSA-N
-rxn:5:193869:228885:225636,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,JCARGNNEUXLXTP-UHFFFAOYSA-N
-rxn:5:193869:228890:225636,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,LTBXFTRMBWLSHZ-UHFFFAOYSA-N
-rxn:5:193869:228890:226426,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)s1,XCLRFUFFWIPXNE-UHFFFAOYSA-N
-rxn:5:193870:223146:223312,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CNC3)cc2)cc1-c1cccc(C2CNCCO2)c1,YKAWFOAVAALPRG-UHFFFAOYSA-N
-rxn:5:193870:225636:228723,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)c(F)c2)cc1-c1ccnc(N2CCC(C)CC2)c1,UJMDECQTODZSCJ-UHFFFAOYSA-N
-rxn:5:193870:225636:228753,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(F)c2C#N)cc1-c1ccnc(N2CCC(C)CC2)c1,ZJJQMFNLJASDFI-UHFFFAOYSA-N
-rxn:5:193870:225636:228885,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C#N)c(F)c2)cc1-c1ccnc(N2CCC(C)CC2)c1,YSKFLLZDLLYVAZ-UHFFFAOYSA-N
-rxn:5:193870:226422:225448,Cc1ccc(OC2CCCC2)c(-c2cc(-c3cc(F)ccc3N3CCCC3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,LKZQLOQLDNOPTL-UHFFFAOYSA-N
-rxn:5:193870:226661:226452,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3OCCCO3)cc2)cc1-c1cc(N2CCN(C)CC2)cs1,QYQRUONPLAVNQT-UHFFFAOYSA-N
-rxn:5:193870:227626:226898,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)cc1-c1cnc(C2CCOC2)nc1,VAVPKGJWMDPQNX-UHFFFAOYSA-N
-rxn:5:193870:228133:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc(F)c(CC#N)c1,SPLJIVMWQIXODI-UHFFFAOYSA-N
-rxn:5:193870:228723:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C#N)c(F)c1,CXBJUONWAYLHJG-UHFFFAOYSA-N
-rxn:5:193870:228744:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(F)c(C#N)c1,UWQQPYZOUGIYPC-UHFFFAOYSA-N
-rxn:5:193870:228885:225462,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCC(C)CC3)c2)cc1-c1cnc(C#N)c(F)c1,UNYXNQLUWAEYAD-UHFFFAOYSA-N
-rxn:5:193870:228885:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1cnc(C#N)c(F)c1,WMVXUULEBAKYAL-UHFFFAOYSA-N
-rxn:5:193870:228890:225462,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCC(C)CC3)c2)cc1-c1cnc(F)c(C#N)c1,MARWDQYIRFADLL-UHFFFAOYSA-N
-rxn:5:193870:228890:225470,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1-c1cnc(F)c(C#N)c1,KLGAIXQQFAHOTD-UHFFFAOYSA-N
-rxn:5:193870:228890:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1cnc(F)c(C#N)c1,KNPORKNWCCXZAG-UHFFFAOYSA-N
-rxn:5:193870:228890:226426,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCC(C)CC3)s2)cc1-c1cnc(F)c(C#N)c1,GYVXTSLFSOOYII-UHFFFAOYSA-N
-rxn:5:193972:222420:227654,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2OCCO2)nc1,XYFIEYWGBPGSMM-UHFFFAOYSA-N
-rxn:5:193972:225454:229270,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)s1,NBUPKGXEYFYLCK-UHFFFAOYSA-N
-rxn:5:193972:225577:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCC4)cc3C#N)cc2C)c1,UWHUPDYCTVRQGT-UHFFFAOYSA-N
-rxn:5:193972:225636:228885,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(F)c1,RTDOBNPAPIKZGS-UHFFFAOYSA-N
-rxn:5:193972:226181:228885,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(F)c1,JHAHBUZTRWIHET-UHFFFAOYSA-N
-rxn:5:193972:226382:228256,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(C4CCCCC4)nc3)cc2C)cc(C)c1F,TVMKFJJYDYHNMK-UHFFFAOYSA-N
-rxn:5:193972:227954:227047,Cc1cc(-c2ccc(C3CCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC2CCC2)c1,INAMNFXXCZVMQN-UHFFFAOYSA-N
-rxn:5:193972:228885:225636,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,YFTGIYSONDWONP-UHFFFAOYSA-N
-rxn:5:193972:228885:226181,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,OKNDCYRKEAIUEC-UHFFFAOYSA-N
-rxn:5:193972:228885:227403,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,FMPPZNJKDPEUSB-UHFFFAOYSA-N
-rxn:5:193972:228890:226366,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,NDTDYEISFFPAIG-UHFFFAOYSA-N
-rxn:5:193972:228890:227404,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)cs1,UUYOTJYUCNLYNL-UHFFFAOYSA-N
-rxn:5:193972:228995:225465,CCc1cncc(-c2cc(C)c(-c3cccc(C4CCN(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,KFDAIJTXZOHABX-UHFFFAOYSA-N
-rxn:5:193972:229065:225849,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,YZXKGUHWWRVUBX-UHFFFAOYSA-N
-rxn:5:194058:222958:223054,Cc1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc1C1CCNCC1,XDNJDISFCHTSEM-UHFFFAOYSA-M
-rxn:5:194058:222959:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)ccc1C1CCNCC1,FCGMROVDYBKHRJ-UHFFFAOYSA-M
-rxn:5:194058:222960:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2CCNCC2)c1,ADNIKWBVENEYJJ-UHFFFAOYSA-M
-rxn:5:194058:223054:222958,Cc1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc1C1CCNCC1,MPEJSPCMBDUZRP-UHFFFAOYSA-M
-rxn:5:194058:223054:222959,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)ccc1C1CCNCC1,DXVFHJOOXBEUOB-UHFFFAOYSA-M
-rxn:5:194058:223054:222960,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2CCNCC2)c1,LAJWBXRWPWAMSU-UHFFFAOYSA-M
-rxn:5:194058:223054:225794,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(OC3CCCCC3)nc2)s1)N1CCC(O)C1,PBPSWNZUISQWMZ-UHFFFAOYSA-M
-rxn:5:194058:223064:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCC(O)C1,TUXBFHKBUGJVJE-UHFFFAOYSA-M
-rxn:5:194058:225456:225943,CN1CCC(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(=O)N4CCOCC4)s3)cc2)CC1,IVXDLNFIVXOSTH-UHFFFAOYSA-M
-rxn:5:194058:225576:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCCCC1,OHTKQKFPRKXYID-UHFFFAOYSA-M
-rxn:5:194058:225607:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCCCC2)s1,ACMFCNMDKDFELZ-UHFFFAOYSA-M
-rxn:5:194058:225794:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(OC3CCCCC3)nc2)s1)N1CCC(O)C1,LKWQQDFELOUUES-UHFFFAOYSA-M
-rxn:5:194058:225805:225456,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCOCC1,JWUUIFKRPVAQJU-UHFFFAOYSA-M
-rxn:5:194522:226411:225447,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCOCC3)cc1)c2-c1ccc(OC2CCCCC2)cc1,UYKQQDHGWXIZIK-UHFFFAOYSA-N
-rxn:5:194688:225618:226881,COc1cc(-c2c(F)c(F)c(OC)c(F)c2F)cc2c1OCC(=O)N(c1ccc(-c3cccc(OC4CCCCO4)c3)cc1)C2,JFWVXYJMPQOZOY-UHFFFAOYSA-N
-rxn:5:194733:227302:229188,Cc1cc(-c2ccc(-c3ccnc(F)c3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cnc1OC(C)C,BKQKPPJUZRVUQC-UHFFFAOYSA-N
-rxn:5:194767:227522:227867,COC(=O)c1ccc(-c2ccc(-c3cccc4c3OCCC4)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c(C)n1,SEQQBMJMPJQCOM-UHFFFAOYSA-N
-rxn:5:194782:225656:227446,CC1CCCCN1c1cncc(-c2ccc(-c3ccc(C4OCCO4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,CFVJDCOCUMXYFJ-UHFFFAOYSA-N
-rxn:5:194782:228867:227714,CCc1nc(OC)c(-c2ccc(-c3ccc(SC(F)(F)F)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)s1,RRVSEVDIPHFRAK-UHFFFAOYSA-N
-rxn:5:194791:223200:223141,O=C1C2C(c3ccc(-c4cncc(C5CCNCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(C2CCNC2)cc1,UMFGXLUXCZNPAK-UHFFFAOYSA-N
-rxn:5:194792:226346:225644,Cc1cccc(-c2ncc(-c3ccc(N4C(=O)C5C(c6ccc(-c7cc(C)cc(OC(C)C)c7F)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)cn2)c1,SQALWBRQCLUZLC-UHFFFAOYSA-N
-rxn:5:196170:225805:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,OZIZNDYDKFMLGS-UHFFFAOYSA-N
-rxn:5:196533:225632:226794,CN1CCN(c2cccc(-c3ccc(N4C(=O)CC(c5cnc(N6CCSCC6)nc5)C4=O)cc3)c2)CC1,RQBDHDBNRBGJNO-UHFFFAOYSA-N
-rxn:5:196618:225924:223064,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(N2CCCC2=O)c1,AFSRHYGMVBHCSY-UHFFFAOYSA-N
-rxn:5:196621:225931:222988,Cc1cc(-c2cc(N3CCCC3=O)ccc2-c2cc(C)nc(C3CCNCC3)c2)cc(S(=O)(=O)N(C)C)c1,XECKXLKEZCQFPT-UHFFFAOYSA-N
-rxn:5:196669:225672:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCC2)ncc1-c1cc(F)nc(C2CCCCC2)c1,OJADAHNSBNDOFX-UHFFFAOYSA-N
-rxn:5:196789:223061:225598,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cccc(CN2CCSCC2)c1,KCZSDDKVFKNYRA-UHFFFAOYSA-N
-rxn:5:196789:226468:223065,CN1C(=O)COc2c(-c3ccc(N4CCOCC4=O)c(-c4ccc(N5CCNCC5)cc4F)c3)cccc21,QEPUTFOLQWJWAA-UHFFFAOYSA-N
-rxn:5:196792:225834:223173,O=C1COCCN1c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)ccc1-c1cc(N2CCCCC2)ncc1F,ATFOIHKFEOVUJT-UHFFFAOYSA-N
-rxn:5:196794:226468:223001,CN1C(=O)COc2c(-c3ccc(-c4cc(C5CCCNC5)ccc4F)c(N4CCOCC4=O)c3)cccc21,KNPCSSPIJXTTLS-UHFFFAOYSA-N
-rxn:5:196873:225832:226382,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1cnc(C2CCCCC2)nc1,PHRWOJKBJPLHJB-UHFFFAOYSA-N
-rxn:5:196916:225849:222409,COc1ccc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)cc1S(N)(=O)=O,NUBJHMFQAYEJLU-UHFFFAOYSA-N
-rxn:5:196916:225931:223063,Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2N2CCCCC2=O)cc(S(=O)(=O)N(C)C)c1,VRDOBTOWEFDYCS-UHFFFAOYSA-N
-rxn:5:196917:225926:223062,CC1(C)COC(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,KOCOTRKWZGVMFS-UHFFFAOYSA-N
-rxn:5:196918:225925:223137,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(N2CCCCC2=O)c1-c1cncc(C2CCCNC2)c1,ZSZABFYAEUELMB-UHFFFAOYSA-N
-rxn:5:196918:225931:223062,Cc1cc(-c2cccc(N3CCCCC3=O)c2-c2cnc(C3CCNCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,MMNOKQUJYNSKRG-UHFFFAOYSA-N
-rxn:5:196922:225930:223058,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(N3CCCCC3=O)c2)c1,RPBGKQAVISRTMC-UHFFFAOYSA-N
-rxn:5:196922:225930:223061,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cc(C4CCNCC4)ncc3F)cc(N3CCCCC3=O)c2)c1,OSIQABJCVOPWTJ-UHFFFAOYSA-N
-rxn:5:196922:225930:223063,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(N3CCCCC3=O)c2)c1,GONCZBMDSURFIP-UHFFFAOYSA-N
-rxn:5:196922:225931:222988,Cc1cc(-c2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,CWITWOWVVXDODT-UHFFFAOYSA-N
-rxn:5:196922:225931:223058,Cc1cc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,SURHNLIPXIQMJA-UHFFFAOYSA-N
-rxn:5:196922:225931:223062,Cc1cc(-c2cc(-c3cnc(C4CCNCC4)cc3F)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,BKRLVMXXZRXNHT-UHFFFAOYSA-N
-rxn:5:196922:225931:223063,Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,VONZZTHKOHYRGA-UHFFFAOYSA-N
-rxn:5:196922:225931:223064,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,TYSDSTPVQZKKDQ-UHFFFAOYSA-N
-rxn:5:196922:226366:225931,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,DKGQSLUKGSWWKX-UHFFFAOYSA-N
-rxn:5:196923:225931:222988,Cc1cc(-c2ccc(N3CCCCC3=O)cc2-c2cc(C)nc(C3CCNCC3)c2)cc(S(=O)(=O)N(C)C)c1,KWUYFDHYLDZHBL-UHFFFAOYSA-N
-rxn:5:196969:225931:222989,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(N3CCNCC3)cc2C)cc(S(=O)(=O)N(C)C)c1,STYGRJQJAUKRMR-UHFFFAOYSA-N
-rxn:5:196970:225672:226652,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cc(F)nc(C3CCCCC3)c2)n(C2CCCCO2)n1,UMZZTFZLGIKZLP-UHFFFAOYSA-N
-rxn:5:196970:225931:222989,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(N3CCNCC3)cc2C)cc(S(=O)(=O)N(C)C)c1,QGDOUGJRIGDCMK-UHFFFAOYSA-N
-rxn:5:196977:225931:222986,Cc1cc(-c2ccc(N3CCCCC3)cc2-c2cc(C)nc(C3CCCNC3)c2)cc(S(=O)(=O)N(C)C)c1,ANNBISOHJWVQJU-UHFFFAOYSA-N
-rxn:5:196977:225931:222987,Cc1cc(-c2ccc(N3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2C)cc(S(=O)(=O)N(C)C)c1,XISWLVWRIWEWGT-UHFFFAOYSA-N
-rxn:5:196977:225931:223058,Cc1cc(-c2ccc(N3CCCCC3)cc2-c2cc(F)nc(C3CCCNC3)c2)cc(S(=O)(=O)N(C)C)c1,VXGIVGCZVJYVSU-UHFFFAOYSA-N
-rxn:5:196978:225832:226382,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cnc(C3CCCCC3)nc2)c1,SFBQLWIPVDEOKX-UHFFFAOYSA-N
-rxn:5:196978:225925:223058,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,LWTRTUKFUCHIDJ-UHFFFAOYSA-N
-rxn:5:196978:225925:223064,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,ZCGDPZLBMJHYSY-UHFFFAOYSA-N
-rxn:5:196978:225930:223058,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,IAOMKHSMOSCERN-UHFFFAOYSA-N
-rxn:5:196978:225931:222988,Cc1cc(-c2ccc(N3CCCCC3)c(-c3cc(C)nc(C4CCNCC4)c3)c2)cc(S(=O)(=O)N(C)C)c1,INJGHSYIBQSYAM-UHFFFAOYSA-N
-rxn:5:196979:225931:223063,Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(N3CCCCC3)c2)cc(S(=O)(=O)N(C)C)c1,LUGPZUPHINJBGD-UHFFFAOYSA-N
-rxn:5:197169:225986:225636,CC1CCN(c2cc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)ccn2)CC1,UPYGSKDOGOZSHV-UHFFFAOYSA-N
-rxn:5:197876:223065:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(N4CCNCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,CJFDFTAWYBSQKX-UHFFFAOYSA-N
-rxn:5:197876:225498:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LYGHCPMSSQTFBQ-UHFFFAOYSA-N
-rxn:5:197876:226062:226973,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,FIBJBQDBEQOPDX-UHFFFAOYSA-N
-rxn:5:197876:226322:227946,Cc1cc(C(=O)N(C)C)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,VMFOWJJXGYTYCH-UHFFFAOYSA-N
-rxn:5:197876:227412:226330,CC(c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1)N1CCCC1,WIQSKZUEOINDMW-UHFFFAOYSA-N
-rxn:5:197876:227412:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IZGDBZJYKJDFMK-UHFFFAOYSA-N
-rxn:5:197876:227807:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCCC3)S(=O)(=O)N(C(C)(C)C)C2=O,ZWJQPDSXTLKWPK-UHFFFAOYSA-N
-rxn:5:197876:227811:223018,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,RAGVJJMJMPWQHS-UHFFFAOYSA-N
-rxn:5:227901:178295:227024,COC(=O)C1(c2cc(-c3cccc(C(C)N(C)C)c3)ccc2-c2ccc(CC(C)C)nc2)CCC(=O)CC1,RHLPSWJOWOHOLT-UHFFFAOYSA-N
-rxn:5:227905:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccnc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CUBNHIFERUYOBV-UHFFFAOYSA-N
-rxn:5:227906:178295:227027,CCC(C)c1ncccc1-c1ccc(-c2ccccc2C2(C#N)CC2)cc1C1(C(=O)OC)CCC(=O)CC1,JPFREPSQXCINPU-UHFFFAOYSA-N
-rxn:5:227907:178295:226582,CCC(C)c1cncc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LZKPPZKBYYCHCG-UHFFFAOYSA-N
-rxn:5:227908:178295:227290,COC(=O)C1(c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2-c2cccnc2CC(C)C)CCC(=O)CC1,RLVPJSMCQVMHDT-UHFFFAOYSA-N
-rxn:5:227922:178295:226920,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,AZJZONZRMIDOKI-UHFFFAOYSA-N
-rxn:5:227932:178295:226922,COCc1ccc(C)c(-c2ccc(-c3c(C)cc(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RBJOTJMYYZKLQN-UHFFFAOYSA-N
-rxn:5:227933:178295:227409,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(C)(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,GGLCIGJTYJCICN-UHFFFAOYSA-N
-rxn:5:227935:178295:227073,CCc1cc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,SJTZLILVCDTGHG-UHFFFAOYSA-N
-rxn:5:227939:178295:223286,COC(=O)C1(c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,HYRQLPCPKLYHGX-UHFFFAOYSA-N
-rxn:5:227939:178295:226922,COC(=O)C1(c2cc(-c3c(C)cc(C4CC4)cc3C)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,LFLSRYRZJLSPDX-UHFFFAOYSA-N
-rxn:5:227939:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,NXGFDHOYUMZSGB-UHFFFAOYSA-N
-rxn:5:227942:178295:226603,CCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,YGBDONIJEAUHKX-UHFFFAOYSA-N
-rxn:5:227950:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cc(N(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,LOYGZMDELOTIIG-UHFFFAOYSA-N
-rxn:5:227970:178295:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,DZSCXADSWLRDMI-UHFFFAOYSA-N
-rxn:5:227971:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cnccc2C(C)(C)C)CCC(=O)CC1,BDDMRSZWZXKSQR-UHFFFAOYSA-N
-rxn:5:227971:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnccc3C(C)(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GFTJPQHOWFVRII-UHFFFAOYSA-N
-rxn:5:227985:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc(F)c(C(C)C)c2)CCC(=O)CC1,WPOHNOVVDMLPKH-UHFFFAOYSA-N
-rxn:5:227995:178295:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(C)cc(C)c2OC)CCC(=O)CC1,LKNOHTSUBWJIMI-UHFFFAOYSA-N
-rxn:5:227998:178295:227071,COCc1cc(C)c(-c2ccc(-c3ccc(F)cc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,PSNBOVVMLWMRFL-UHFFFAOYSA-N
-rxn:5:228000:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QWTHBBQKNCHPIO-UHFFFAOYSA-N
-rxn:4:173306:222633,CCOC(=O)C(=O)CC(=O)c1cccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,NASPFOJPINBJJM-UHFFFAOYSA-N
-rxn:4:173338:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)C(C(=O)OC)C(=O)OC)cc3)cc2)CC1,YNJWFYLDBUZUKO-MXVIHJGJSA-N
-rxn:4:173401:223836,COC(=O)C(C(=O)OC)c1cc(-c2cc3c(OC)ncnc3n2C(=O)OC(C)(C)C)ccc1OC,FRSJWVWBPSVPLH-UHFFFAOYSA-N
-rxn:4:173413:223928,CCOC(=O)C(Cc1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1)C(C)=O,SNERQCYGTIQXSI-UHFFFAOYSA-N
-rxn:4:173422:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCC(C)C)c(OCC(F)(F)F)c1,MOVRVWAYBQIWEH-UHFFFAOYSA-N
-rxn:4:173433:222754,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1cc(OC)ccc1C(=O)NC(C)(C)C,VSJSNTZJPPXEQP-UHFFFAOYSA-N
-rxn:4:173443:224337,CCOC(=O)c1ccc(OCC(C)C)c(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)c1,WVFQEMXQBSRZJN-UHFFFAOYSA-N
-rxn:4:173525:223885,COC(=O)C(CC(=O)c1cccc(C)c1)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,JHWLRNUCPYOWNW-UHFFFAOYSA-N
-rxn:4:173551:224198,CCN1CCN(Cc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)c(F)c2)CC1,VAHAARWTGOGKML-UHFFFAOYSA-N
-rxn:4:173577:222633,COc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1COC(=O)c1ccc(C(C)(C)C)cc1,APFJXGSUXYWPGB-UHFFFAOYSA-N
-rxn:4:173578:222633,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,MPHZMXUUUPHCRK-UHFFFAOYSA-N
-rxn:4:173579:222633,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)c1,CFUHYOHAKPOCOB-UHFFFAOYSA-N
-rxn:4:173593:222633,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)cc(C(C)(C)C)c1,RFGDRSFIPNKNCS-UHFFFAOYSA-N
-rxn:4:173596:222875,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(C(=O)NC(C)(C)C)ccc1F,CBPXTWFQHIVVRW-UHFFFAOYSA-N
-rxn:4:173596:223623,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1COc1ccc(C(C)(C)C)cc1C,YOCNFXMUYGFNSY-UHFFFAOYSA-N
-rxn:4:173596:224874,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(COC2CCCCC2)c1,RHFPRSJDECOHFS-UHFFFAOYSA-N
-rxn:4:173641:222974,Cc1oc2cc(-c3ccc(C(=O)NC(C)(C)C)cc3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,ZBEZHAAMHYTCAA-UHFFFAOYSA-N
-rxn:4:173642:222424,CCOC(=O)c1c(C)oc2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c(OC(=O)C(C)(C)C)cc12,JACKCQXCTHPXGR-UHFFFAOYSA-N
-rxn:4:173650:224279,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c1)C2=O,BNQSCGZWBOWQPF-UHFFFAOYSA-N
-rxn:4:173651:222540,CCOC(=O)COc1ccc2c(=O)c(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c(C)oc2c1,KRCMBSRHTVNAIQ-UHFFFAOYSA-N
-rxn:4:173700:222633,COc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12,GLTPHDLRGGSSCQ-UHFFFAOYSA-N
-rxn:4:173702:225269,COC(=O)c1ccc(-c2ccc(C(=O)COc3ccc4c(c3)OC(=Cc3ccc(C(C)C)cc3)C4=O)cc2)c(C(=O)OC)c1,UPXWWEMMKRIHQX-UHFFFAOYSA-N
-rxn:4:173712:224265,FC(F)(F)COc1ccc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)cc1OC(F)(F)F,JVVOGKFOHHKLIJ-UHFFFAOYSA-N
-rxn:4:173723:222522,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCC(O)CC1,QLPCOGXQIXIQMM-UHFFFAOYSA-N
-rxn:4:173723:222633,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,ZSLOOTPRSXYPJY-UHFFFAOYSA-N
-rxn:4:173723:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,CYEDZCIAGIGIDF-UHFFFAOYSA-N
-rxn:4:173723:222816,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC(C)C,PANOQQDGXOWYCF-UHFFFAOYSA-N
-rxn:4:173723:223766,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc2cc(C#N)ccc21,ZXRDPHNXLVBMNE-UHFFFAOYSA-N
-rxn:4:173723:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,IZSTUVIDRDGFGP-UHFFFAOYSA-N
-rxn:4:173723:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,DKCGSBNYKXPBTN-UHFFFAOYSA-N
-rxn:4:173723:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,YMKXUAHAWVCZNS-UHFFFAOYSA-N
-rxn:4:173723:224285,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1,JBZAMHMJWAPGMT-UHFFFAOYSA-N
-rxn:4:173723:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,YYUWRKUCQGTPCG-UHFFFAOYSA-N
-rxn:4:173723:224393,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,UTKXXUXQKJRGHW-UHFFFAOYSA-N
-rxn:4:173783:224180,COC(=O)c1cc(-c2ccccc2OCCN2CCN(C)CC2)ccc1OCC(F)(F)F,HURFHEAILDRMTO-UHFFFAOYSA-N
-rxn:4:173797:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(F)c(C(=O)OC)c(OCC(F)(F)F)c3)c2)CC1,ICXDHHNHYBTBTK-UHFFFAOYSA-N
-rxn:4:173799:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,ZFQDKMPFUHXTTK-UHFFFAOYSA-N
-rxn:4:173802:222403,CC(C)NC(=S)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,RFMDRARWVQNNDE-UHFFFAOYSA-N
-rxn:4:173802:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GZDRPGJCBRFWOU-UHFFFAOYSA-N
-rxn:4:173802:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GEFOHHCMXSYJCL-UHFFFAOYSA-N
-rxn:4:173802:222758,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C,NMWXWCFZZGQTTL-UHFFFAOYSA-N
-rxn:4:173802:222769,O=C(NC1CCCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,NEKGPTFQCSFPNO-UHFFFAOYSA-N
-rxn:4:173802:222807,O=C(NC1CC1)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,SXFPCFQTOGTNJF-UHFFFAOYSA-N
-rxn:4:173802:222868,CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,HQPQKFNALGVRBM-UHFFFAOYSA-N
-rxn:4:173802:222876,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,GNTRQWDXAOBDTP-UHFFFAOYSA-N
-rxn:4:173802:222913,O=S(=O)(NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1)C1CC1,COUMZKFXGQITHD-UHFFFAOYSA-N
-rxn:4:173802:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,BRKKXHPEBZGMKH-UHFFFAOYSA-N
-rxn:4:173802:222997,O=S(=O)(OC(c1ccc(-c2ccc(Cl)cc2C2CCCNC2)cc1)C(F)(F)F)C(F)(F)F,GEHIBLCYPXCMPW-UHFFFAOYSA-N
-rxn:4:173802:222999,O=S(=O)(OC(c1ccc(-c2cc(Cl)cc(C3CCCNC3)c2)cc1)C(F)(F)F)C(F)(F)F,TZCAITFJYJILDM-UHFFFAOYSA-N
-rxn:4:173802:223031,CCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(OC)c1,RQBFCPPMHPMQQB-UHFFFAOYSA-N
-rxn:4:173802:223036,CC(C)(C)C(=O)Nc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,QRVBKVYBKDORBB-UHFFFAOYSA-N
-rxn:4:173802:223037,O=C(NC1CC1)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,OZALVBADOJKXTB-UHFFFAOYSA-N
-rxn:4:173802:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,QAKWQAOAGSRUHH-UHFFFAOYSA-N
-rxn:4:173802:223677,O=S(=O)(OC(c1ccc(-c2cc(Cl)c(OCc3ccccc3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,ADKQQCVMBDSTJJ-UHFFFAOYSA-N
-rxn:4:173802:223678,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)cc(OCc3ccccc3)c2F)cc1)C(F)(F)F)C(F)(F)F,RQNJLUBXXMZFSU-UHFFFAOYSA-N
-rxn:4:173802:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1Cl,UATHONYIEJOSRR-UHFFFAOYSA-N
-rxn:4:173802:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,DVVIUUAGLBDPJX-UHFFFAOYSA-N
-rxn:4:173802:224396,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCOCC1,CHBFOQZDYVVHLY-UHFFFAOYSA-N
-rxn:4:173802:224591,CC1CCN(Cc2cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)ccc2Cl)CC1,VGPYZBBUMGDEGY-UHFFFAOYSA-N
-rxn:4:173802:224678,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCCCC1,SXLGLVKYNCNQOL-UHFFFAOYSA-N
-rxn:4:173802:224775,O=S(=O)(OC(c1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,PHUMGSROBSNPOY-UHFFFAOYSA-N
-rxn:4:173802:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,AENFKTHFXIRPCK-UHFFFAOYSA-N
-rxn:4:173802:224821,O=S(=O)(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCCC1,QSELWKAFRDEGKE-UHFFFAOYSA-N
-rxn:4:173802:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,HXULKTVZPWUYLR-UHFFFAOYSA-N
-rxn:4:173802:225047,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cnc1N1CCC(C)CC1,GLWOWUHVNIUWMI-UHFFFAOYSA-N
-rxn:4:173802:225264,COC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(=O)OC,OHNLOOBDFIURGP-UHFFFAOYSA-N
-rxn:4:173802:225337,O=S(=O)(OC(c1ccc(-c2cc(F)cc(COCC(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,FUBLYGVUBGXXNS-UHFFFAOYSA-N
-rxn:4:173802:225364,Cc1cc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C,QDJWLKFWHMBCDB-UHFFFAOYSA-N
-rxn:4:173802:225377,O=S(=O)(OC(c1ccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,IVXFMXNLGHPLCS-UHFFFAOYSA-N
-rxn:4:173802:225381,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,LHAVGYDMXRNCDM-UHFFFAOYSA-N
-rxn:4:173802:225535,CCN(CC)Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,ZHPAMCIVYPEACA-UHFFFAOYSA-N
-rxn:4:173802:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,IDKLIRZGHRUHLN-UHFFFAOYSA-N
-rxn:4:173802:225596,O=S(=O)(OC(c1ccc(-c2ccc(Cl)c(CN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,UMXDFJAVTNTEKG-UHFFFAOYSA-N
-rxn:4:173802:225653,CC1CCCCN1c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,GWSVJFYPSZPZBO-UHFFFAOYSA-N
-rxn:4:173802:225794,O=S(=O)(OC(c1ccc(-c2cnc(OC3CCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,JAEKVRMCODOFHF-UHFFFAOYSA-N
-rxn:4:173802:225797,CC(C)(C)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1[N+](=O)[O-],YBJWNAGBHYPMLT-UHFFFAOYSA-N
-rxn:4:173802:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,XQPXKGWXKGCGFM-UHFFFAOYSA-N
-rxn:4:173802:226016,O=S(=O)(OC(c1ccc(-c2ccc(OCC(F)(F)F)cc2Cl)cc1)C(F)(F)F)C(F)(F)F,TWFBLZMLHGXVNV-UHFFFAOYSA-N
-rxn:4:173802:226031,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)cc1)C(F)(F)F)C(F)(F)F,OQNSAYDOVSDPHC-UHFFFAOYSA-N
-rxn:4:173808:226844,O=C(c1cc(-c2cccc(C(F)(F)F)c2OC(C(F)(F)F)C(F)(F)F)ccn1)C(F)(F)F,RVDNXCUZNWPLNN-UHFFFAOYSA-N
-rxn:4:173819:223559,COCCCOc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,YPRYFPYZKDOKOQ-UHFFFAOYSA-N
-rxn:4:173834:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OCCOS(C)(=O)=O)cc1,ADEBJBKKPUZWND-UHFFFAOYSA-N
-rxn:4:173858:223873,CCCOc1cc(OC(F)(F)F)cc(-c2ccccc2CCC(=O)N2CCC(C)CC2)c1,NSEBVPJWPRGUJA-UHFFFAOYSA-N
-rxn:4:173868:223974,CCOC(=O)CC(=O)c1cc(F)c(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)cc1Cl,KMSIZFRUEWFJEE-UHFFFAOYSA-N
-rxn:4:174054:223888,CCOC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(OC)cc1OC,FKTRTMXGVVZDFH-UHFFFAOYSA-N
-rxn:4:174075:222684,O=C(CC(=O)c1ccc(F)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)CC1CC1,JPZXTNDCHRBTIW-UHFFFAOYSA-N
-rxn:4:174099:223993,CCOC(=O)C(F)(F)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1CC,ZQBVFIHLTSJVHK-UHFFFAOYSA-N
-rxn:4:174134:223928,COC(=O)C(Oc1ccccc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(C)C,WUOXKEONCFLQBQ-UHFFFAOYSA-N
-rxn:4:174267:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OC(F)(F)F)cc1OCC1CCCC1,VOMBXXKXJQGAMH-UHFFFAOYSA-N
-rxn:4:174373:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4ccccc4C(F)(F)F)c(C(=O)OC)c3)cc2)CC1,QEXRGDMMTTWGKL-UHFFFAOYSA-N
-rxn:4:174406:224878,COC(=O)C1(c2ccc(-c3ccccc3COC3CCCCC3)cc2)CC(OC)(OC)C1,ZHINXBUXWJVAPA-UHFFFAOYSA-N
-rxn:4:174406:225234,COC(=O)C1(c2ccc(-c3ccc(N4CCCCC4)c(F)c3F)cc2)CC(OC)(OC)C1,DHCUHWHLPFORRT-UHFFFAOYSA-N
-rxn:4:174407:223561,COC(=O)C1(c2cccc(-c3ccc(N(C(=O)OC(C)(C)C)c4ccccc4)cc3)c2)CC(OC)(OC)C1,CKUCIVDHDQNGMV-UHFFFAOYSA-N
-rxn:4:174407:224492,COC(=O)C1(c2cccc(-c3ccc(CCC(=O)N4CCCC4)cc3)c2)CC(OC)(OC)C1,LMNKAFWSDTVQNE-UHFFFAOYSA-N
-rxn:4:174450:225288,CC(C)Oc1ccc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)OC(C)(C)C)c2)c(C(F)(F)F)c1,UZNFECVATPRSDC-LJQANCHMSA-N
-rxn:4:174499:224719,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)c2)c(F)c1,SNWFQZDGHPQKMH-UHFFFAOYSA-N
-rxn:4:174524:226844,COc1cc(C=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C)c(C(F)(F)F)cc1C1OCCO1,JCHKFBGJTUAYIU-UHFFFAOYSA-N
-rxn:4:174528:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc(C)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1,RGXDCOQEVRUJSN-UHFFFAOYSA-N
-rxn:4:174531:223982,CCOC(=O)c1cc2cc(OC(F)(F)F)cc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)cc3)c2o1,ZYPVLSCRWDZAMB-UHFFFAOYSA-N
-rxn:4:174573:223775,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)c1)C2=O,HSNTWBRKCSLZSY-UHFFFAOYSA-N
-rxn:4:174646:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=CC=Cc3ccccc3)C4=O)cc2)c1,JFERGZKEELLBLJ-UHFFFAOYSA-N
-rxn:4:174648:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)Oc4ccc(C=C5C(=O)c6ccccc6C5=O)cc4OC)c3)cc2)CC1,OVHGHNZHLIDCPL-UHFFFAOYSA-N
-rxn:4:174673:222674,O=C(NC1CCCCC1)c1cccc(-c2cc(OC(F)(F)F)cc(SC(F)(F)F)c2)c1F,INEUSJKWPDEGBU-UHFFFAOYSA-N
-rxn:4:174688:224821,O=C(c1cc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)(F)F)C(F)(F)F,BMLADACWXWTRNS-UHFFFAOYSA-N
-rxn:4:174689:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(OC(F)(F)F)ccc2C(=O)C(F)(F)F)c1,FHRCYEFKMYPJTC-UHFFFAOYSA-N
-rxn:4:174940:223810,CCOC(=O)c1cc(C(F)(F)F)cc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1F,XPPCBCNWZSEYBR-UHFFFAOYSA-N
-rxn:4:174941:222706,CCOC(=O)c1c(F)ccc(C(F)(F)F)c1-c1cc(C2CCNCC2)ccc1C(F)(F)F,SDLJQPDKFGGOBH-UHFFFAOYSA-N
-rxn:4:175416:223583,C#Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cc(C(=O)OC)ccc23)ccc1C(=O)OC(C)(C)C,BEOVEXXOLALOEG-UHFFFAOYSA-N
-rxn:4:175440:222740,CC(C)c1cc(-c2ccc(S(=O)(=O)OCC3CC(F)(F)C3)cc2)cc(C2CCCNC2)n1,FASGSGHRKKJRBD-UHFFFAOYSA-N
-rxn:4:175740:222826,C[Si](C)(C)C(F)(F)C(F)(F)Oc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,BNEWFEIEKWJOIQ-UHFFFAOYSA-N
-rxn:4:175784:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1cccc(Cl)c1,OOUOEMRPPLGINT-UHFFFAOYSA-N
-rxn:4:175869:223928,CCc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1C(=O)OC(C)(C)C,BPMRLOPGAZVGEK-UHFFFAOYSA-N
-rxn:4:175988:224710,CCCCOc1cc(-c2c(OCC3CCCCC3)cccc2C(F)F)cc(C(F)(F)F)c1,CAVOALAZZUAMHH-UHFFFAOYSA-N
-rxn:4:175995:223542,CC(C)COc1ccc(-c2ccccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1,IULUEMWLFNKXQM-UHFFFAOYSA-N
-rxn:4:176091:222619,CC(C)(C)[Si](C)(C)OCc1ccc(Cl)cc1-c1ccc(CNC(=O)C2CCCCC2)cc1,JWKPOVTZLUFQQW-UHFFFAOYSA-N
-rxn:4:176131:224325,CC(C)(C)Sc1cc(SC(C)(C)C)cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c1,LMQVFPRLFFYSNL-UHFFFAOYSA-N
-rxn:4:176147:223894,CN1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)Oc4ccc(C5SCCCS5)cc4)cc3)c2)CC1,YWWZGDXOAGVJBX-UHFFFAOYSA-N
-rxn:4:176224:223542,COc1cccc(OC(=O)c2cc3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccc3oc2=O)c1,JVFFJTZPVJAFMR-UHFFFAOYSA-N
-rxn:4:176293:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)cc2)s1,HNBFPDSQPFJDFX-UHFFFAOYSA-N
-rxn:4:176294:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)cc1,GFKFMLVQCZWWAH-UHFFFAOYSA-N
-rxn:4:176322:222424,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)C(C)(C)CC1(CC)CC,RXZCQGYNAZPXJF-UHFFFAOYSA-N
-rxn:4:176322:223176,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc(CNS(C)(=O)=O)c2)C(C)(C)CC1(CC)CC,SDVBIZHEMHCRSR-UHFFFAOYSA-N
-rxn:4:176422:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C(F)F)cc3OC(F)(F)F)cc2)CC1,LLWUDPYVPVSURB-UHFFFAOYSA-N
-rxn:4:176459:223559,C#Cc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1C(=O)OC,SKYJBXBUAWBDNI-UHFFFAOYSA-N
-rxn:4:176900:222439,COCc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,POHCSSVUNRUIFP-UHFFFAOYSA-N
-rxn:4:176938:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(C)(=O)=O)c3)cc2)CC1,HWHPUQFDFIRQGP-UHFFFAOYSA-N
-rxn:4:177082:224584,CC(=O)c1cc(C(F)(F)F)c(-c2cccc(C(=O)N3CCC(C)CC3)c2)cc1C(F)(F)F,KWXGMFFXFOVBOY-UHFFFAOYSA-N
-rxn:4:178380:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c1,IDRGFUKGTAUARE-UHFFFAOYSA-N
-rxn:4:178381:223488,CC(C)(C)OC(=O)n1c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc2cc(Oc3ccccc3)ccc21,AHXYKLTWBKIONZ-UHFFFAOYSA-N
-rxn:4:178381:223774,COc1cccc2c1cc(-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)n2C(=O)OC(C)(C)C,UWYMKGYCMXCRPS-UHFFFAOYSA-N
-rxn:4:178384:227701,COC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,LCUFYBSFJYTRJW-UHFFFAOYSA-N
-rxn:4:178384:227938,CCOc1c(C)cccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QCBDIGWLIMUUDL-UHFFFAOYSA-N
-rxn:4:178384:228922,COc1ccnc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZPTCCAVEKDUGNT-UHFFFAOYSA-N
-rxn:4:178384:229267,Cc1nc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)sc1C,WDZNGOFLWXSMQO-UHFFFAOYSA-N
-rxn:4:178478:223562,COC(=O)c1cccc2c(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(OC)ccc12,HBNJJWXZORIYAY-UHFFFAOYSA-N
-rxn:4:178495:223712,CCOC(=O)C1CCc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2C1=O,FALKVRRRMXOGHI-UHFFFAOYSA-N
-rxn:4:178597:224163,Cc1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccc2c1cnn2C1CCCCO1,NNKYOGPKGWKYBJ-UHFFFAOYSA-N
-rxn:4:179841:223504,CC(=O)C1CC1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1F,SFKDPVRMBYPHNP-UHFFFAOYSA-N
-rxn:4:180414:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(SC=C4C(=O)OC(C)(C)OC4=O)cc3)c2)CC1,WCZPIGCHDOMVCG-UHFFFAOYSA-N
-rxn:4:180415:223695,COc1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(C)cc1C(C)(C)C,MAYKESHRSUNOKH-UHFFFAOYSA-N
-rxn:4:180494:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc(C3CCCCO3)ccc2C2CC2)c1,UHYFXPGGIATYCQ-UHFFFAOYSA-N
-rxn:4:180534:222633,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)o2)C(=O)O1,UGZATPIRPHYOOJ-UHFFFAOYSA-N
-rxn:4:180609:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc3c2CC(C(=O)C(F)(F)F)C3=O)cc1,UMLAJMXJGDUXSM-UHFFFAOYSA-N
-rxn:4:180610:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc3c(c2)CC(C(=O)C(F)(F)F)C3=O)cc1,GBYVFYUYBDYIJH-UHFFFAOYSA-N
-rxn:4:180611:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)c1,ZHOXSAUTVDXYIM-UHFFFAOYSA-N
-rxn:4:180702:223814,COC(=O)c1cc2c(c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)c1)OCCC2,XIPPFUUJSYFYJM-UHFFFAOYSA-N
-rxn:4:180708:223889,COC(=O)c1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc2c1CCCC2=O,JRVBPCPZDXKQQC-UHFFFAOYSA-N
-rxn:4:180792:222846,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCNC4)ccc3C#N)cc1C2=O,IMUGNUAJSRGKJL-UHFFFAOYSA-N
-rxn:4:180792:223564,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C)c(COc4cc(OC)cc(OC)c4)c(C)c3)cc1C2=O,RGXANCKHLJWEMV-UHFFFAOYSA-N
-rxn:4:180792:224198,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCN(CC)CC4)cc3F)cc1C2=O,GFNYESMISIOACK-UHFFFAOYSA-N
-rxn:4:180792:224350,CCOC1CCC2(CC1)Cc1ccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc1C2=O,LKUGKCQXSNNHFI-UHFFFAOYSA-N
-rxn:4:182368:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)(F)F)CC1)C2,HHEXJLDLSXQWDC-UHFFFAOYSA-N
-rxn:4:182374:222636,CC(=O)c1cc2c(cc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,FTGVANWRAVCVFD-GOSISDBHSA-N
-rxn:4:182374:222646,CC(=O)c1cc2c(cc1-c1c(C)cc(NC(=O)OC(C)(C)C)cc1C)C(C)(C)CCC2(C)C,WPHUGTOXCGYOHQ-UHFFFAOYSA-N
-rxn:4:182376:224960,COc1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc1OC1CCCC1,CBJDKKUUSGITBO-UBHXRJOGSA-N
-rxn:4:182376:225439,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(C(C)N5CCCC5)c4)cc3C2=O)C[C@@H]1C,QHHSLBYONLYCMG-CTECAUNBSA-N
-rxn:4:182396:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,LRUITWGMOIANSG-UHFFFAOYSA-N
-rxn:4:182531:223489,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(Cl)c1F,MXIVDQSGZMUXAA-UHFFFAOYSA-N
-rxn:4:183272:227839,Cc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,PREFXDJNFMSPFR-UHFFFAOYSA-N
-rxn:4:183273:228410,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)c1F,GVEWHHKBCFTFBJ-UHFFFAOYSA-N
-rxn:4:183273:228916,COc1cnc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FSELOSMIESIYTM-UHFFFAOYSA-N
-rxn:4:183274:227675,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c(F)c1C,MQZVJWCGYFNZRM-UHFFFAOYSA-N
-rxn:4:183379:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cc2c(c3c1OC(C)(C)C=C3)OC(C)(C)OC2=O,NBQWRWVOZMBBGU-UHFFFAOYSA-N
-rxn:4:183470:222583,CCOC(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,NUQZTPDWIVDFHP-UHFFFAOYSA-N
-rxn:4:183482:222633,CCOC(=O)C(=O)Cc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1[N+](=O)[O-],ODYCVODKHVCCTN-UHFFFAOYSA-N
-rxn:4:183529:224196,CCOC(=O)Cc1cc(-c2cc(F)cc(CN3CCN(CC)CC3)c2)c(C#N)c(C(F)(F)F)c1,MBQIJOICJRMSCT-UHFFFAOYSA-N
-rxn:4:183532:223755,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1C(F)(F)F,RPFVTLNXJYIEGU-UHFFFAOYSA-N
-rxn:4:183553:224257,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1cc(C(=O)N2CCCCC2C)ccc1Cl,OAGJBYOVQRPMSH-UHFFFAOYSA-N
-rxn:4:183591:222809,CCOC(=O)C(C)Oc1ccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-],VGHISZMGYHUIQW-UHFFFAOYSA-N
-rxn:4:183639:222633,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1[N+](=O)[O-],ZYARFIQVXFZARX-UHFFFAOYSA-N
-rxn:4:183641:224128,CN(C(=O)c1ccc(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)cc1)C1CCCCC1,GYTZLRGINONCPP-UHFFFAOYSA-N
-rxn:4:183641:225390,CC(C)Cc1cc(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)cc(C2CC2)c1,NIJBCIVNJVMDBC-UHFFFAOYSA-N
-rxn:4:183665:224395,COC(=O)C(Oc1ccc([N+](=O)[O-])cc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1)C(C)C,OONMCMQTGVFBTI-UHFFFAOYSA-N
-rxn:4:183668:222633,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,WQYWNQDVSMCEIJ-UHFFFAOYSA-N
-rxn:4:183730:222806,CCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)cc([N+](=O)[O-])c1,HDDFVUZGQBTPIQ-UHFFFAOYSA-N
-rxn:4:183731:227250,CCCOc1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)C1,RSPORLJCMCCTGW-UHFFFAOYSA-N
-rxn:4:183769:223239,O=C(COc1ccc(OC(F)(F)F)cc1-c1cncc(C2CCCN2)c1)N1CCCCC1,HCQYWGCRZSVDIB-UHFFFAOYSA-N
-rxn:4:183799:222638,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)c1,IZELDXYQHDIYIZ-UHFFFAOYSA-N
-rxn:4:183892:227544,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(F)ccc2C(=O)OC)c1,FWASIYAITJFAMG-UHFFFAOYSA-N
-rxn:4:183923:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCC(=O)N(c4ccccc4)C4C=CS(=O)(=O)C4)cc3)c2)CC1,UXGZAFDCMMZSCW-UHFFFAOYSA-N
-rxn:4:183958:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,YWASVMQVXPQMSA-UHFFFAOYSA-N
-rxn:4:183969:223505,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(OC)c2)CC1,LSERRQCVWYWNPH-UHFFFAOYSA-N
-rxn:4:183971:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1,DSFABFJKQDSIHT-UHFFFAOYSA-N
-rxn:4:183982:222632,CCCCN(C)Cc1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc(C(C)(C)C)c1,KUIGSHKYOIZCSL-UHFFFAOYSA-N
-rxn:4:184015:226844,CC(C)(C)OC(=O)N1CCC(OCc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,MKGDMRORXUVPDL-UHFFFAOYSA-N
-rxn:4:184023:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(Cl)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,VZZFMKAVKUHUKJ-UHFFFAOYSA-N
-rxn:4:184023:228218,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(C4CC4)ncc3F)c2)CC1,IQFSHOYOALJVGJ-UHFFFAOYSA-N
-rxn:4:184030:226868,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(OC(F)(F)F)c(Cl)c2)CC1,HUYROTLTSXQBGR-UHFFFAOYSA-N
-rxn:4:184058:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCC(COCc4ccccc4)C3)cc2)cc1)N1CCC2(CC1)OCCO2,NLJPSVSEXMIGKA-UHFFFAOYSA-N
-rxn:4:184073:226496,CCN(CC)c1cc(F)c(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1,JJMXUHJJKXRAQN-UHFFFAOYSA-N
-rxn:4:184075:224817,CCc1ccc(CN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)C2CCS(=O)(=O)C2)cc1,MEBMOVOBKCQSMV-UHFFFAOYSA-N
-rxn:4:184085:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1C,PXXYSKNUQFBUQG-UHFFFAOYSA-N
-rxn:4:184092:222633,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)o2)C2CCS(=O)(=O)C2)cc1,DPNNHEWVYMABPM-UHFFFAOYSA-N
-rxn:4:184096:225723,CN(C)CCOc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1Cl,TXZPOYRMCZDOCL-UHFFFAOYSA-N
-rxn:4:184096:227059,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C(C)C,MHAQTGQYZYHGRX-UHFFFAOYSA-N
-rxn:4:184099:223013,COC(=O)c1ccc2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)[nH]c2c1,AWGGUPYSXZXGNL-UHFFFAOYSA-N
-rxn:4:184099:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,GWMRREUAUMZLFI-UHFFFAOYSA-N
-rxn:4:184111:224101,CC1CCN(CCOc2cccc(-c3ccc4oc(=O)c(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4c3)c2)CC1,KYGUNAJQVHJJDP-UHFFFAOYSA-N
-rxn:4:184115:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc2)c1,CRVHMLRADILIQF-UHFFFAOYSA-N
-rxn:4:184121:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cc(F)ccc3OCCCCN3C(=O)c4ccccc4C3=O)cc2)CC1,QGLFVPGEJASALN-UHFFFAOYSA-N
-rxn:4:184128:222638,COC(=O)c1c(C)oc2cc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,ATTCSIFNZJDVSD-UHFFFAOYSA-N
-rxn:4:184133:224818,CCOC(=O)c1cc2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2n1C(=O)OC(C)(C)C,XNDXHKGBIHFKLH-UHFFFAOYSA-N
-rxn:4:184219:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)cc1,UOGNUQUCIHPYAI-UHFFFAOYSA-N
-rxn:4:184223:223941,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc3)nc3ccc(C)cc23)cc1,VHKNOBKMSTVUNN-UHFFFAOYSA-N
-rxn:4:184224:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C)c4nc(-c5ccccc5)cc(C(=O)OC(C)C(=O)c5ccc(C)cc5)c4c3)cc21,RFGYWRGFEYJDLZ-UHFFFAOYSA-N
-rxn:4:184244:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)COC(=O)c4ccc5c(c4)C(=O)N(c4ccc6c(c4)oc4ccccc46)C5=O)cc3)c(F)c2)CC1,ALDVVNPMVPQQJR-UHFFFAOYSA-N
-rxn:4:184249:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)cc1,DPRIQJJKUCCELE-SSEXGKCCSA-N
-rxn:4:184620:223540,CCCOc1ncc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1OCC,KENXGRBSMMSDCQ-UHFFFAOYSA-N
-rxn:4:184627:223971,CCOC(=O)Cc1ccc(C)c(C#N)c1-c1cc(N2CCC(C)CC2)cc(C(F)(F)F)c1,AEQWCZUBFHHXQS-UHFFFAOYSA-N
-rxn:4:184695:227502,CC(C)Oc1ncc(-c2cc(OC(F)(F)F)cc(C(=O)ON3C(=O)CCC3=O)c2)cc1Cl,FNPBUHSTKPKPDI-UHFFFAOYSA-N
-rxn:4:184753:223559,CCCN(C)C(=O)Cc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,NLTQBKWVVQSOFR-UHFFFAOYSA-N
-rxn:4:184805:222623,CCC(C)c1cc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2Oc2ccc(F)cc2F)cc(C2CCNCC2)n1,GQIRYILENACYJX-UHFFFAOYSA-N
-rxn:4:184873:223541,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,XNCCLPORRFQRIH-UHFFFAOYSA-N
-rxn:4:184873:223594,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RDKWUCGEVWQAGJ-UHFFFAOYSA-N
-rxn:4:184918:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccccc3OCCCN3CCC(F)(F)C3)c2)C1,ARXSYRUGSFRBHP-UHFFFAOYSA-N
-rxn:4:184922:225156,COC(=O)c1cc(OC2CCCC2)c(-c2cc(C(=O)N3CCCC3)ccc2F)cc1[N+](=O)[O-],OHDQEMMMCJEOIH-UHFFFAOYSA-N
-rxn:4:184936:222704,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)c1,HHGNVVFOZKBXJE-UHFFFAOYSA-N
-rxn:4:184983:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)CCCN4CCCC4)cc3)c(F)c2)CC1,XAUDVFJIQNGEES-UHFFFAOYSA-N
-rxn:4:184985:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(OCC3CN(C(=O)C(C)C)C3)cc2)cc1,HQRKQBBAVCGGDY-UHFFFAOYSA-N
-rxn:4:184985:223836,COc1ncnc2c1cc(-c1ccc(OCC3CN(C(=O)C(C)C)C3)cc1)n2C(=O)OC(C)(C)C,DCUXRDUTAVQCBK-UHFFFAOYSA-N
-rxn:4:185003:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(C(F)(F)F)CC1,YHBRYSYPYHOEFS-UHFFFAOYSA-N
-rxn:4:185013:222723,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,ZQLSEJIBFDXONA-UHFFFAOYSA-N
-rxn:4:185023:222684,O=[N+]([O-])c1ccc(OCCC2CCCCC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,QGZBSWBYBPOIGB-UHFFFAOYSA-N
-rxn:4:185024:224322,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1,YXEPFLKAUOQLCK-UHFFFAOYSA-N
-rxn:4:185026:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,DCARIBYYXWHCOO-UHFFFAOYSA-N
-rxn:4:185030:224246,CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCC(F)(F)CC4)cc3)cc2F)CC1,ZHLDYYOZACBZMR-UHFFFAOYSA-N
-rxn:4:185048:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(OCCN5CCC(C(F)(F)F)CC5)cc4)c3)cccc12,CTYIMCGNAGPXTA-UHFFFAOYSA-N
-rxn:4:185067:225331,CCOc1cc(OC(F)(F)F)cc(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)c1,ASBHHPYAAKKHSY-UHFFFAOYSA-N
-rxn:4:185086:224802,COC(OC)c1ccc(-c2ccc(OCCCN3CCOCC3)c(C)c2)c(C(F)(F)F)c1,VREDBIQJGFMABS-UHFFFAOYSA-N
-rxn:4:185121:222638,CCN1C(=O)C(=Cc2ccc(COc3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)o2)SC1=S,ZWELXUYHVZSMNP-UHFFFAOYSA-N
-rxn:4:185122:222638,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)o2)SC1=S,PMXIAGMIUSTQTJ-UHFFFAOYSA-N
-rxn:4:185126:224612,CC(C)(C)[Si](C)(C)OCc1c(-c2ccc(OCCN3CCOCC3)cc2)cccc1[N+](=O)[O-],ADFKNCXKVYUAFY-UHFFFAOYSA-N
-rxn:4:185137:224819,O=S(=O)(c1ccc(-c2ccccc2CCCN2CCCC(C(F)(F)F)C2)cc1)N1CCOCC1,JTRVRMPESOWVEX-UHFFFAOYSA-N
-rxn:4:185156:223815,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)ccc1CN1CCC(C(F)(F)F)CC1,HQEYTRBBEHVVEC-UHFFFAOYSA-N
-rxn:4:185161:223279,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,TZZHWGJZIVXKAQ-UHFFFAOYSA-N
-rxn:4:185164:227628,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cnc(C4CCC4)nc3Cl)c(C(F)(F)F)c2)C1,SPTLVPQRIKSZLI-UHFFFAOYSA-N
-rxn:4:185165:222770,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(C(=O)NC4CCCC4)c(Cl)c3)ccc2C(F)(F)F)C1,YBTXBLNSHHOVEX-UHFFFAOYSA-N
-rxn:4:185172:224756,O=C(c1ccc(F)cc1-c1ccc(C(=O)N2CCCC2CS(=O)(=O)c2ccccc2)o1)N1CCOCC1,OKIZAGYNYKQOIQ-UHFFFAOYSA-N
-rxn:4:185182:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3CN(C)CC3CCCC3)c(F)c2)CC1,IYOOXGJXFYGQCH-HCGLCNNCSA-N
-rxn:4:185196:222424,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,XERJUBUHKFVKGO-UHFFFAOYSA-N
-rxn:4:185196:225564,COC(=O)C(C)(C)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2OC)c1,JRHVIBFEBFLGMB-UHFFFAOYSA-N
-rxn:4:185235:225723,COc1cc(C=C2N=C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)OC2=O)ccc1OC(C)=O,DJEKAJASHVHZLT-UHFFFAOYSA-N
-rxn:4:185267:225093,CCCOc1c(Cl)cc(-c2cc(C)cc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)c2)cc1OCC,OESJSVZUICQKMW-UHFFFAOYSA-N
-rxn:4:185273:225195,Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)c(OC4CCCCO4)c3)o2)C2CCS(=O)(=O)C2)cc1,BNIVQOUTGALDMO-UHFFFAOYSA-N
-rxn:4:185286:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N(Cc3cccc(Cl)c3)C3CCS(=O)(=O)C3)cc2Cl)CC1,QPPURYYBOKGRSS-UHFFFAOYSA-N
-rxn:4:185287:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N(Cc4cccc(Cl)c4)C4CCS(=O)(=O)C4)cc3)c(F)c2)CC1,FZHRZMHDIPMZAM-UHFFFAOYSA-N
-rxn:4:185297:222684,CCOc1ccc(C=C2SC(=S)N(c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)C2=O)cc1OC,LZWJKSRQISYFRH-UHFFFAOYSA-N
-rxn:4:185298:222638,CCOc1ccc(C=C2SC(=S)N(c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)C2=O)cc1OC,LWSMEDJJYCGFRW-UHFFFAOYSA-N
-rxn:4:185306:222497,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(NC(=O)OCc2ccccc2)c(Cl)c1,LBZPUVYOOXKUKO-UHFFFAOYSA-N
-rxn:4:185322:225310,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)ccc2Cl)CC1,PFDPDPKBSFJRGC-UHFFFAOYSA-N
-rxn:4:185332:223895,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(OCCN3CCN(CC)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,HIINZUGQSANPSL-UHFFFAOYSA-N
-rxn:4:185351:224842,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1,NDPJOOVGFRYPTK-UHFFFAOYSA-N
-rxn:4:185355:224274,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c2)CC1,JYGLQMSSEQSJCG-UHFFFAOYSA-N
-rxn:4:185367:225223,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2cnc(N3CCC(C)CC3)cc2F)CC1,PWERHFZOHDVWTL-UHFFFAOYSA-N
-rxn:4:185370:224075,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc1,KRMIWQJBKAVDCW-UHFFFAOYSA-N
-rxn:4:185383:226021,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(Cl)ccc3OCC(F)(F)F)cc(C(F)(F)F)c2)CC1,QVHHVWLNZHUQTM-UHFFFAOYSA-N
-rxn:4:185398:225269,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2ccc(C(=O)OC)cc2C(=O)OC)c1,YJQCFGYUUKGFQP-UHFFFAOYSA-N
-rxn:4:185405:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,YJLQEYMEIOHCHG-UHFFFAOYSA-N
-rxn:4:185405:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FPQTTYMCZURPBM-UHFFFAOYSA-N
-rxn:4:185419:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccc1C1CC1,JSGNALOCPHEVQY-UHFFFAOYSA-N
-rxn:4:185420:227473,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cccc(CC[N+](=O)[O-])c2)C1,AITRSBCDLRIJTJ-UHFFFAOYSA-N
-rxn:4:185421:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)C1,UVHUMMOLPIBRMR-UHFFFAOYSA-N
-rxn:4:185433:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)CC1,QWLIJEWSTJUMGH-UHFFFAOYSA-N
-rxn:4:185438:223840,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KTDNYGDGZDPHLD-UHFFFAOYSA-N
-rxn:4:185441:223034,CC(C)(C)NC(=O)c1cncc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KYYYUIYPGYISFB-UHFFFAOYSA-N
-rxn:4:185446:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1,HSOABTLDSWYSHF-UHFFFAOYSA-N
-rxn:4:185510:226124,COCc1ccc(C2CC2)cc1-c1cc2c(c(C(=O)OC)c1)N(C(=O)OC(C)(C)C)CC2,NUMHWSUICXKFRG-UHFFFAOYSA-N
-rxn:4:185515:222638,Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1,NFDBRWNXFJEDNH-UHFFFAOYSA-N
-rxn:4:185516:222638,Cc1cccc2c1N(CCCOc1ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc1)C(=O)C2=O,WYTQRSIIFMAFDI-UHFFFAOYSA-N
-rxn:4:185547:222684,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3oc2=O)CC1,RTXILGQOSWUWGO-UHFFFAOYSA-N
-rxn:4:185589:226098,CCCCOc1ccc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)cc1C,DXAJCTFNNOULJZ-UHFFFAOYSA-N
-rxn:4:185602:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(C)c(C(=O)N(Cc5cccc(F)c5)C5CCS(=O)(=O)C5)oc4c3)c2)CC1,YWPRFLMOTMNRRA-UHFFFAOYSA-N
-rxn:4:185610:222684,COc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)cc1OC,OIDBBBLYKSYFFG-UHFFFAOYSA-N
-rxn:4:185616:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)Oc3ccc4c(c3)OC(=Cc3cn(CC)c5ccccc35)C4=O)cc2)CC1,YOYPCBANAUBQGA-UHFFFAOYSA-N
-rxn:4:185620:222638,Cc1oc2cc(OCCN3CCCCC3)ccc2c(=O)c1-c1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1,LGXRLAWUKFNXAQ-UHFFFAOYSA-N
-rxn:4:185743:222603,COc1cc(-c2cc(F)cc([N+](=O)[O-])c2OCC(F)(F)F)c(Cl)cc1NC(=O)OC(C)(C)C,SRUVDYGIWVWVRW-UHFFFAOYSA-N
-rxn:4:185917:224395,COC(=O)c1cc(C#N)c(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,QOKMMIIVSNBTAV-UHFFFAOYSA-N
-rxn:4:186368:222645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(OCCN3CCC(O)CC3)c2)cc1OC,RRUUIVZCNNKUHV-UHFFFAOYSA-N
-rxn:4:186368:222648,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(NC(=O)OC(C)(C)C)c(C)cc2C)cc1OC,BKXAZLGZDWMERB-UHFFFAOYSA-N
-rxn:4:186368:223652,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1OC,NYHGALPAMQJHCB-UHFFFAOYSA-N
-rxn:4:186368:223809,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1OC,VWWUXOJZCJAXNO-UHFFFAOYSA-N
-rxn:4:186368:223969,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)cc1OC,LRWFCBTWKIJVTM-UHFFFAOYSA-N
-rxn:4:186368:224007,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC(F)(F)F)cc(OCC(C)C)c2F)cc1OC,ALHRIWQDBIMSJB-UHFFFAOYSA-N
-rxn:4:186368:224160,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1OC,DTXHCWQPKUXVHH-UHFFFAOYSA-N
-rxn:4:186368:224283,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1OC,XKAKGJQRYBOCKF-UHFFFAOYSA-N
-rxn:4:186368:224292,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)cc1OC,SYJQOCHXYNMILF-UHFFFAOYSA-N
-rxn:4:186463:222607,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,FDYAHLVYURAXPM-FQEVSTJZSA-N
-rxn:4:186476:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)OC)cc(C(=O)N(C)C)c2)c(Cl)c1,MPGQNGFHHTYIGX-UHFFFAOYSA-N
-rxn:4:186629:222396,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,BHYYFXOUEFXHGM-UHFFFAOYSA-N
-rxn:4:186629:222638,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,OMSLDKJXFXHCDB-UHFFFAOYSA-N
-rxn:4:186629:222657,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(F)c(C(=O)NC2CCCCC2)c1,SMIPTDIAOFYRDS-UHFFFAOYSA-N
-rxn:4:186629:222705,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C2CCNCC2)cc(C(F)(F)F)c1,BWZCDHGKPVWDJR-UHFFFAOYSA-N
-rxn:4:186629:223534,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,YQDQGERXALDIJZ-UHFFFAOYSA-N
-rxn:4:186629:223679,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(CC)CC2)c(C)c1,BEESUDLRTSTSMD-UHFFFAOYSA-N
-rxn:4:186629:224252,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,IVKYTQMPKPRDRG-UHFFFAOYSA-N
-rxn:4:186629:224257,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)N2CCCCC2C)ccc1Cl,POGBKRYYMJCUIC-UHFFFAOYSA-N
-rxn:4:186629:224719,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,VUAXDDHQSUCWPR-UHFFFAOYSA-N
-rxn:4:186749:222638,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)c2)SC1=S,HWGPJLXAFZKDLS-UHFFFAOYSA-N
-rxn:4:186751:225199,O=C(N(c1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1)C1C=CS(=O)(=O)C1)C(F)(F)F,CZDYFQGBGKFMGB-UHFFFAOYSA-N
-rxn:4:186799:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(OCC(=O)N3CCOCC3)c(F)c2)c1F,MUTOHKYVIQZKKL-UHFFFAOYSA-N
-rxn:4:186807:225990,CCCCn1nc(C(F)(F)F)cc1-c1cc(OC(F)F)cc(C(=O)N2CCOCC2)c1,ZAJUZGSNTLONEI-UHFFFAOYSA-N
-rxn:4:186819:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(OC(F)(F)F)c2)c(Cl)c1,UOBNCLWELDBBOD-UHFFFAOYSA-N
-rxn:4:186893:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCCC4)cc3)c(F)c2)CC1,BFVPKXKZZIKAHF-UHFFFAOYSA-N
-rxn:4:186969:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)OC)cc3CN3CCCC3)c(F)c2)CC1,RFEMRMGDQTUTQW-UHFFFAOYSA-N
-rxn:4:186975:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(OCC(=O)N3CCCCC3)c2)c1,DMLKPUPMMONNDK-UHFFFAOYSA-N
-rxn:4:187028:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1,RCPOBTLNJCOZEY-UHFFFAOYSA-N
-rxn:4:187090:222828,COC(=O)C1CC(C#N)(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)c2)CCC1=O,RDVBQRZVQXNUJQ-UHFFFAOYSA-N
-rxn:4:187092:226844,O=C(c1cc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)ccn1)C(F)(F)F,OMUZHLLZSKKONB-UHFFFAOYSA-N
-rxn:4:187102:222636,Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,KAKPJABHBCAMAL-GOSISDBHSA-N
-rxn:4:187121:225007,CCN(C(=O)c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1)C1CCS(=O)(=O)C1,RQKYHRLVKXIEAE-UHFFFAOYSA-N
-rxn:4:187133:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(OC)c(C(=O)N3CCSCC3)c2OC)c1,FGYYELQMEDWUKB-UHFFFAOYSA-N
-rxn:4:187143:224968,Cc1ccc(OCC2CCCO2)c(-c2cc(CC(=O)N3CCC(C(F)(F)F)CC3)ccc2Cl)c1,OAXUVZXZYAAUSE-UHFFFAOYSA-N
-rxn:4:187148:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCCC(C(F)(F)F)C4)cc3F)cc2)CC1,HYMVXEAFWPTPIL-DUNBPCILSA-N
-rxn:4:187154:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)s1,QFJIWAZYOIFJCS-UHFFFAOYSA-N
-rxn:4:187191:222716,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1,JDCCLOMMZVPKSH-UHFFFAOYSA-N
-rxn:4:187198:224322,COC(=O)c1cc(CN2CCCCC2)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1,DKKIXFRNPGMPMM-UHFFFAOYSA-N
-rxn:4:187253:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(CCN2CCC(C(F)(F)F)CC2)ccc1F,UMCWLORQILKSLL-UHFFFAOYSA-N
-rxn:4:187262:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCC5)c4)c(F)c3)cc2F)CC1,PYUMUVKBAJIPOY-UHFFFAOYSA-N
-rxn:4:187264:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC4)c(F)c3)cc2F)CC1,LGBVYKRJNKCCOC-UHFFFAOYSA-N
-rxn:4:187284:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(CN3CCC(COC)CC3)c2)c1,NUBVSCRUTYVOJT-UHFFFAOYSA-N
-rxn:4:187309:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1S(=N)(=O)CC1CCOCC1,CNMZTBCEIYVXQI-UHFFFAOYSA-N
-rxn:4:187311:222944,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(S(=O)(=O)NC3CC3)cc2F)C1,FHIUTTVGLPWMBA-UHFFFAOYSA-N
-rxn:4:187318:222864,COC(=O)c1ccc(-c2ccc(OCCNC(C)C)c(F)c2)c(CN2CCOC(C)C2)c1,VIGTWSQPVVFQJP-UHFFFAOYSA-N
-rxn:4:187318:224825,COC(=O)c1ccc(-c2cc(C(=O)N(C)OC)cc([N+](=O)[O-])c2)c(CN2CCOC(C)C2)c1,HYGHGYVLZDKDFF-UHFFFAOYSA-N
-rxn:4:187327:226844,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)COS1(=O)=O,UJJPVLYXQATIBS-MRXNPFEDSA-N
-rxn:4:187346:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N(C(=O)c2ccccc2)C2C=CS(=O)(=O)C2)cc1,WOHJJGHJBFNCGV-UHFFFAOYSA-N
-rxn:4:187357:224589,COc1cc(-c2ccc(F)cc2CN2CCC(C)CC2)cc(OC)c1CN1CCCCC1,IQXAEVLSDLOLSR-UHFFFAOYSA-N
-rxn:4:187390:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4SCC(=O)N4Cc4ccc(OC)cc4)cc3)cc2)CC1,BNTZLSDILRFXAM-UHFFFAOYSA-N
-rxn:4:187420:222905,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cccnc1NC(=O)OC(C)(C)C,JTDZHOKQDFDFDU-UHFFFAOYSA-N
-rxn:4:187423:224656,COC(=O)c1ccc(-c2ccc(OC)c(OC3CCCC3)c2F)cc1CN1CCCCC1C,TXDHHZSZVPMESN-UHFFFAOYSA-N
-rxn:4:187441:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)o4)c3)cccc12,LCVQJLOSGIHLER-UHFFFAOYSA-N
-rxn:4:187490:225374,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(OC(F)(F)F)cc(OC)c1F,HHXJHCPKLQNASZ-UHFFFAOYSA-N
-rxn:4:187530:223992,Cc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,FZSZRYSOHQJXBM-UHFFFAOYSA-N
-rxn:4:187543:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCCC(C)C4)c(OC)c3)c(F)c2)CC1,HZRUOOLYGCTRDB-FMWDMEFWSA-N
-rxn:4:187555:226297,CC(C)OCc1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)ccc1F,WUJCKPBRABXICW-UHFFFAOYSA-N
-rxn:4:187566:224377,Cc1ccc(S(=O)(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)C2C=CS(=O)(=O)C2)cc1,QSGIWQJCTOJMBL-UHFFFAOYSA-N
-rxn:4:187569:225087,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2ccc(OCCCN(C)C)c(F)c2)c1,RCNYCVFGTFFLFV-UHFFFAOYSA-N
-rxn:4:187572:223979,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2)C1,PFIPCRPRWNHBCY-UHFFFAOYSA-N
-rxn:4:187590:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3F)c2)CC1,NSWDGBCCTAOQJC-UHFFFAOYSA-N
-rxn:4:187594:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cc(F)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,YUXFEPFLKCQVQM-UHFFFAOYSA-N
-rxn:4:187597:226873,O=C(c1cccc(-c2cccc(Cl)c2OC(F)(F)F)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,NWYWUOKHJBOZDM-UHFFFAOYSA-N
-rxn:4:187631:226289,COc1cccc(OC(C)C)c1-c1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)cc1,ZUYNUHICVKOIJM-UHFFFAOYSA-N
-rxn:4:187675:223559,COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(F)cc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C,WBCXQDZDZYKACO-UHFFFAOYSA-N
-rxn:4:187677:226124,COCc1ccc(C2CC2)cc1-c1ccc(C2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1,IRGIHYZDVBUXID-UHFFFAOYSA-N
-rxn:4:187685:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)cc3)cc2)CC1,QFDPBNKFKJNGQL-UHFFFAOYSA-N
-rxn:4:187687:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)c1ccccc1CN1CCC2(CC1)OCCO2,XSZDWNDJDINVGU-UHFFFAOYSA-N
-rxn:4:187689:223077,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1F,NYUFZKYDSUMMDJ-UHFFFAOYSA-N
-rxn:4:187731:222638,CCOC(=O)CN1C(=O)C(=O)c2cc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)ccc21,OFBTZQWBWNMCCO-UHFFFAOYSA-N
-rxn:4:187828:225688,CC(C)(C)OC(=O)CN1C(=O)c2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2S1(=O)=O,SGGZSUQZHZPBBE-UHFFFAOYSA-N
-rxn:4:187841:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4Cc3ccc(C(=O)OC)cc3)c(F)c2)CC1,PFGURVZFRKXIQU-UHFFFAOYSA-N
-rxn:4:187893:222684,COC(=O)C1C(=O)N(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)C(=O)c2ccc(F)cc21,XNBJYRVGXKVIAD-UHFFFAOYSA-N
-rxn:4:187916:225170,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)ccc1CN1CCOCC1,JGEOJZLFIMRNSI-UHFFFAOYSA-N
-rxn:4:187916:225596,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(Cl)c(CN2CCCC2)c1,SIYKGGPWOZNATK-UHFFFAOYSA-N
-rxn:4:187917:226472,COc1ccc(-c2ccnc(OCCN(C)C)c2)c(C(=O)N2C3CCC2CC(SC)C3)c1,WDJGSBDZFXPRLC-UHFFFAOYSA-N
-rxn:4:187920:222537,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,FUAPZACPFQIKCI-UHFFFAOYSA-N
-rxn:4:187945:226241,COC(=O)CCc1cccc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)c1,UCSPDEATFHSHMW-UHFFFAOYSA-N
-rxn:4:187950:224999,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)cc1)N1CCOCC1,HMQVIPYZVYTOJI-UHFFFAOYSA-N
-rxn:4:187961:222759,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(C)cc(NC(=O)OC(C)(C)C)c3)cc1)CC(C)(C)CC2=O,KSYKYBZYYCZDRU-UHFFFAOYSA-N
-rxn:4:187973:225744,CC(C)(C)OC(=O)c1cncc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1,SRMDHHAZTTXRFZ-UHFFFAOYSA-N
-rxn:4:187995:226005,CCc1cc(-c2ccc(OCC(F)(F)F)c(F)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,UMSWUJWXRAWEDS-UHFFFAOYSA-N
-rxn:4:188029:222638,CCOC(=O)Cn1c2c(sc1=O)C1c3cc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)ccc3OCC1CS2,PNPJLVNNARSSJH-UHFFFAOYSA-N
-rxn:4:188465:223753,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1F,HKZJKRQCEZKSOT-UHFFFAOYSA-N
-rxn:4:188482:222465,COC(=O)c1cnc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(C(F)(F)F)c1,YBTLQNOUIFSZAB-UHFFFAOYSA-N
-rxn:4:188921:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)cc(S(N)(=O)=O)c3)c(F)cc2C)CC1,MKUVOSBLXDAIGD-UHFFFAOYSA-N
-rxn:4:189552:223954,COC(=O)c1cnc(C2CCOC2)cc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,ANZKVPQMBAPUKC-UHFFFAOYSA-N
-rxn:4:189602:224612,Cc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(OCCN2CCOCC2)cc1,XOZWSPWTUIBUSM-UHFFFAOYSA-N
-rxn:4:189812:223712,COc1ccc(-c2ccc(C(=O)N3CC(OC)C3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,DAQHBXLKJYXPCK-UHFFFAOYSA-N
-rxn:4:189926:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CS(=O)(=O)N2CCOCC2)cc1,JRJVJCGRUVKCDD-UHFFFAOYSA-N
-rxn:4:189927:223508,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,MEGPPDJMWKRFEF-UHFFFAOYSA-N
-rxn:4:189973:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCOCC4)c3)cnc2C1,RYPKATCAXGKPHK-UHFFFAOYSA-N
-rxn:4:189973:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,SZDITZJVBOCHSD-UHFFFAOYSA-N
-rxn:4:189989:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(CN4CCOCC4)c3OC)c2)CC1,RTPVPYHRZAVZDC-UHFFFAOYSA-N
-rxn:4:190048:224248,CC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCCCC3)cc2Cl)CC1,IMDLNURJVATLTB-UHFFFAOYSA-N
-rxn:4:190072:223039,CC(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)ccc1F,PTBSNVXRBIKOII-UHFFFAOYSA-N
-rxn:4:190075:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3F)cn2)CC1,IFHLXIJBGGEKJX-UHFFFAOYSA-N
-rxn:4:190086:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)c2)c1,GYQPVLIXDQNRQM-UHFFFAOYSA-N
-rxn:4:190087:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)cc1,GCOPHIXZIJWZSF-UHFFFAOYSA-N
-rxn:4:190103:222583,C#Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1N1CCC(OC)CC1,RMHMGCYJFDOIGT-UHFFFAOYSA-N
-rxn:4:190109:222604,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1,OABIRAKWWQBUDM-UHFFFAOYSA-N
-rxn:4:190152:222684,CCC(C)N1C(=O)SC(=Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)C1=O,RJMMUPWPLMVHFO-UHFFFAOYSA-N
-rxn:4:190180:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(F)(F)CC4)c3)cc2Cl)CC1,MVSCMHLYVQEMAH-UHFFFAOYSA-N
-rxn:4:190228:222604,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCC1,RTRSBISFZRYZNN-UHFFFAOYSA-N
-rxn:4:190296:223960,CCN1CCN(C(=O)c2cc(-c3cccc(N4C(=O)C(=Cc5ccccc5OC)SC4=S)c3)ccc2F)CC1,RYVOMWRMMQAVHL-UHFFFAOYSA-N
-rxn:4:190297:222633,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C1=O,SKFAMEYJCVHMLX-UHFFFAOYSA-N
-rxn:4:190298:224393,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)SC1=S,FEYSVGNWRJAAFW-UHFFFAOYSA-N
-rxn:4:190319:224482,CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,DRBKFDOZMCEEQO-UHFFFAOYSA-N
-rxn:4:190351:224770,Cc1cc(-c2ccc(CC(=O)N3CCC4(CC3)CC4(F)F)cc2)cc(S(=O)(=O)N2CCCC2)c1,UXAUHHXQIOUBHX-UHFFFAOYSA-N
-rxn:4:190354:226794,Cc1cc(-c2cnc(N3CCSCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,XFOHSGCLXFRYRD-UHFFFAOYSA-N
-rxn:4:190355:222424,CC1CCN(S(=O)(=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc(C(F)(F)F)c2)CC1,BVLXODGTRIQRHK-UHFFFAOYSA-N
-rxn:4:190355:226844,CC1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,FMZASHBZPQWBLZ-UHFFFAOYSA-N
-rxn:4:190367:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN(C)C4CCOCC4)cc3C)c2)CC1,VANYOVQSTYELAM-UHFFFAOYSA-N
-rxn:4:190374:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1,XYFHRWVINHEWSA-UHFFFAOYSA-N
-rxn:4:190375:224317,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1S(=O)(=O)N1CCCC(C)C1,VJSZXFOSZOVGCM-UHFFFAOYSA-N
-rxn:4:190380:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2OC)cc(C2CCCNC2)n1,GHZRAZZLSNRTGO-UHFFFAOYSA-N
-rxn:4:190384:224835,CC(C)C(=O)C1CCCN(c2cccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)c2)C1=O,BINZVOWZFKKFTE-UHFFFAOYSA-N
-rxn:4:190409:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(F)cc2C)CC1,CYCCBPPEHYIOKE-UHFFFAOYSA-N
-rxn:4:190419:224403,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)C1=O,AZECRVMXNGHRFH-UHFFFAOYSA-N
-rxn:4:190427:223979,O=C(c1cc(-c2ccc(C3CCN(C(=O)C4CCC4)CC3)cc2)cc([N+](=O)[O-])c1)N1CCCCC1,KOUABKUSXLTKAK-UHFFFAOYSA-N
-rxn:4:190441:225524,CCCCCOc1cc(Cl)ccc1-c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1,ADHDWWHWUDQINS-UHFFFAOYSA-N
-rxn:4:190465:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCSC(c5ccccc5)CC4)cc3)c(F)c2)CC1,ZAFHVQJEMHGTJW-UHFFFAOYSA-N
-rxn:4:190469:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)o3)c2)cc1,FDARPXPLWNJROS-UHFFFAOYSA-N
-rxn:4:190475:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5CCCN5C(=O)C5CCCCC5)cc4)c3)cccc12,HYLNCYLFAOTINQ-UHFFFAOYSA-N
-rxn:4:190487:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)c(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC,PKMZFKMXOPUTPZ-UHFFFAOYSA-N
-rxn:4:190492:222633,C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1F,UMQWYNHYIKPODP-IHOKFDBFSA-N
-rxn:4:190492:222684,C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1F,DBHQQFLAVRWZRU-VUUJKMBOSA-N
-rxn:4:190493:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)n1,KUOTVHIMPMAPRK-UHFFFAOYSA-N
-rxn:4:190493:222857,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCNCC2)c1,RCPOFRXNTMIFDO-UHFFFAOYSA-N
-rxn:4:190599:222632,COC(=O)CN1C(=O)C(=O)c2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)ccc21,ZIFITRWRMIKDDF-UHFFFAOYSA-N
-rxn:4:190675:224373,COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCC(C)=O)cc1S(=O)(=O)N1CCCC1,KZQDBSCHOAJSCZ-UHFFFAOYSA-N
-rxn:4:190752:222638,COc1cc(C=C[N+](=O)[O-])c2c(c1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1)CCCO2,FQSDZBIEKDIMDY-UHFFFAOYSA-N
-rxn:4:190844:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)c4cc5cc([N+](=O)[O-])ccc5oc4=O)cc3)c(F)cc2C)CC1,UGUJXAVUVRNJNV-UHFFFAOYSA-N
-rxn:4:190869:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)c1,NUSLJTRZBFBGMF-UHFFFAOYSA-N
-rxn:4:190885:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCN4C(=O)c3cccc(C(F)(F)F)c3)c(F)c2)CC1,WAIBEULWJKALEN-YHBQERECSA-N
-rxn:4:190928:223712,COC(=O)c1cc2c(c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c1)N(C(C)C)CCC2=O,FXFYHOLZVIKYTK-UHFFFAOYSA-N
-rxn:4:190942:222633,COC(=O)C1=CN(c2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)c2ccccc2S1(=O)=O,KPKXKLSZWYSCRX-UHFFFAOYSA-N
-rxn:4:190943:222633,COC(=O)C1=CN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)c2ccccc2S1(=O)=O,XUSAIJQPOLZGPR-UHFFFAOYSA-N
-rxn:4:190945:222633,COC(=O)C1=CN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)c2cc(F)ccc2S1(=O)=O,PZWSZUSVMJXOSW-UHFFFAOYSA-N
-rxn:4:190953:223776,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2C1,BWRJAYOSAGNRSI-UHFFFAOYSA-N
-rxn:4:190957:222782,Cc1cc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)cnc1NC(=O)OC(C)(C)C,QNOKBTGWOOUIPH-UHFFFAOYSA-N
-rxn:4:190972:223836,COc1ncnc2c1cc(-c1ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o1)n2C(=O)OC(C)(C)C,JGKOGVXEYMBCPO-UHFFFAOYSA-N
-rxn:4:190976:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c2ccccc12,XLQQKVBYBHZHAZ-UHFFFAOYSA-N
-rxn:4:190985:222718,COC1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,DJFMLJJTNJYCDF-UHFFFAOYSA-N
-rxn:4:190990:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1OCCCN2C(=O)OC(C)(C)C,LIRUZKOTUQNICV-UHFFFAOYSA-N
-rxn:4:191008:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c1,PVULLXMPJCMVLT-UHFFFAOYSA-N
-rxn:4:191012:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(S(=O)(=O)N4c5ccccc5CC4C)c3)cc2)CC1,IXVDMMOYFQGBMN-UHFFFAOYSA-N
-rxn:4:191022:222633,COC(=O)C1=CN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c(C)c2)c2ccccc2S1(=O)=O,KXECTMRDPVXBMY-UHFFFAOYSA-N
-rxn:4:191022:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,JHFOZKQZMGKUED-UHFFFAOYSA-N
-rxn:4:191023:222633,CC1Oc2ccccc2C(=O)N(CC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C1=O,PAZPOSWRRKPVBC-UHFFFAOYSA-N
-rxn:4:191026:222633,COC(=O)C1=CN(c2ccc(C)c(Cl)c2)c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2S1(=O)=O,ZKKQOSWKEQLCJT-UHFFFAOYSA-N
-rxn:4:191027:222540,COC(=O)C1=CN(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c(C)c2)c2cc(F)ccc2S1(=O)=O,GAFXQTKWXNKYTE-UHFFFAOYSA-N
-rxn:4:191039:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C)C(C)C,KMEDCGAYFDFZAQ-UHFFFAOYSA-N
-rxn:4:191041:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c2)CC1,GKDZSJBJRIXSNW-UHFFFAOYSA-N
-rxn:4:191043:226844,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,DZVSPIHTAOOOBL-WJYNOGRTSA-N
-rxn:4:191046:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(c3cc(OC)cc(OC)c3)C(=O)CO4)cc2)CC1,QYWORCFTJNQDTL-UHFFFAOYSA-N
-rxn:4:191058:225092,CCCCOc1cc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)cc(Cl)c1OC,KHXZXFURWPDMSL-UHFFFAOYSA-N
-rxn:4:191058:225529,CCN(CC)Cc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)cc1F,ORKRETOMLVRAEP-UHFFFAOYSA-N
-rxn:4:191058:225979,COC(=O)C1CCN(C2CCc3cc(-c4cnc(N5CCOCC5)c(Cl)c4)ccc32)CC1,PKLONVRDTORVMX-UHFFFAOYSA-N
-rxn:4:191062:224163,Cc1c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc2c1cnn2C1CCCCO1,BUVNDIILGNBOHN-UHFFFAOYSA-N
-rxn:4:191062:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,NMKKXIFQWOOAIG-UHFFFAOYSA-N
-rxn:4:191062:225514,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc2c1OCC1(CC1)CO2,UTEUTMLFAFLZTL-UHFFFAOYSA-N
-rxn:4:191062:227207,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc2c1OCCC2=O,FBGDHIITHRYWJJ-UHFFFAOYSA-N
-rxn:4:191063:226844,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3O2)C1,VDTLEQYONGRMKS-UHFFFAOYSA-N
-rxn:4:191073:226844,CC(C)(C)OC(=O)N1CCC2(C1)OCc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,ATJXMAXRTGDRJT-UHFFFAOYSA-N
-rxn:4:191075:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc([C@@]34CN(Cc5ccccc5)C[C@@H]3S(=O)(=O)C4)cc2)cc1,XKMIGHXJKJYBIX-SMCANUKXSA-N
-rxn:4:191080:222583,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2S1(=O)=O,RANRWAJCHCJIIR-UHFFFAOYSA-N
-rxn:4:191086:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(N3C=C(C(=O)c4ccc(Cl)cc4)S(=O)(=O)c4ccc(F)cc43)c2)c1,OUXHNMIIUGNBKZ-UHFFFAOYSA-N
-rxn:4:191086:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(N3C=C(C(=O)c4ccc(Cl)cc4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,JYBMWKBRZNYPLT-UHFFFAOYSA-N
-rxn:4:191087:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,GCXOTGQUWGESNI-UHFFFAOYSA-N
-rxn:4:191087:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,ZLHVDWWZJPXRTI-UHFFFAOYSA-N
-rxn:4:191088:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,PTJRZARFOIGCET-UHFFFAOYSA-N
-rxn:4:191089:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccn1,ZKLGPRRXJKSZHG-UHFFFAOYSA-N
-rxn:4:191090:225756,COC(=O)c1cc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)c(C(C)C)cn1,ICDNZDKVVGASHM-UHFFFAOYSA-N
-rxn:4:191092:222874,CC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc1Cl,XLIJNVJPHNQSIS-UHFFFAOYSA-N
-rxn:4:191099:224720,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc1C2=O,XNCCUVLBMQLMEB-UHFFFAOYSA-N
-rxn:4:191105:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,OWTWSNMSJUWMHR-UHFFFAOYSA-N
-rxn:4:191105:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,OFIUJYLAKQUUPS-UHFFFAOYSA-N
-rxn:4:191111:223960,CCN1CCN(C(=O)c2cc(-c3ccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccccc54)cc3)ccc2F)CC1,PPHOMGCPHIKYFJ-UHFFFAOYSA-N
-rxn:4:191113:222633,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3cc(F)ccc3S2(=O)=O)cc1,SXMYWRHSMGWFJF-UHFFFAOYSA-N
-rxn:4:191117:227938,CCOc1c(C)cccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,FXJDIASXNRLKFG-UHFFFAOYSA-N
-rxn:4:191118:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c2ccccc12,QWYDASYSKMYRNF-UHFFFAOYSA-N
-rxn:4:191118:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,HDGLIJXLCQLUQL-UHFFFAOYSA-N
-rxn:4:191122:222633,COc1ccc(S(=O)(=O)N2c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3C(C)=CC2(C)C)cc1,DMKXYEIUOYKEEW-UHFFFAOYSA-N
-rxn:4:191123:226109,CC(C)(C)COc1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,DKKWRSXTQYTXRI-UHFFFAOYSA-N
-rxn:4:191124:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,SLJMCXNQRVLGGB-UHFFFAOYSA-N
-rxn:4:191126:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc1O2,MFZRKRYNZLSMKI-UHFFFAOYSA-N
-rxn:4:191129:227991,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(Cl)cc4C4CC4)ccc3O2)CC1,NVGBVZUDMMRYPY-UHFFFAOYSA-N
-rxn:4:191131:222633,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)c3ccccc3S2(=O)=O)c(C)c1,YSIJXQLBAVVEBM-UHFFFAOYSA-N
-rxn:4:191131:223753,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)c3)c3ccccc3S2(=O)=O)c(C)c1,YWAGFHIXXGWDGK-UHFFFAOYSA-N
-rxn:4:191132:222684,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)c(C)c1,ZPGJFSGMYIQLHA-UHFFFAOYSA-N
-rxn:4:191134:222633,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1,RGCPVZJNDVBPAW-UHFFFAOYSA-N
-rxn:4:191171:225226,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cc(N5CCC(C)CC5)ncc4F)cc1c32,MCPKBTVSFLMIMN-UHFFFAOYSA-N
-rxn:4:191171:225947,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cnc(N5CCN(C)CC5)nc4)cc1c32,MRUWVYAEMIRBJE-UHFFFAOYSA-N
-rxn:4:191172:223771,COc1ccc2c(c1)cc(-c1ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc1)n2C(=O)OC(C)(C)C,BOAHIQXFSNYGNO-UHFFFAOYSA-N
-rxn:4:191172:225367,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cnc(N6CCC(F)(F)CC6)nc5)cc4)cc1c32,HTZNSCRKKBRXAF-UHFFFAOYSA-N
-rxn:4:191173:222980,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccc(CN6CCNCC6)cc5)c4)cc1c32,PWFRUEUYEFUZFR-UHFFFAOYSA-N
-rxn:4:191173:225367,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cnc(N6CCC(F)(F)CC6)nc5)c4)cc1c32,IKXQYADMFILQFJ-UHFFFAOYSA-N
-rxn:4:191174:222633,COc1ccc(C2c3c(oc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4c3=O)C(=O)N2C)cc1OC,QPOPWLMQPSGNSF-UHFFFAOYSA-N
-rxn:4:191185:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,XXPRZXKRJRIKTL-UHFFFAOYSA-N
-rxn:4:191194:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c5c(cccc35)C(=O)N(c3c(C(C)C)cccc3C(C)C)C4=O)cc2)CC1,XDKGYBVMHBULFO-MCZWQBSQSA-N
-rxn:4:191195:228604,COc1cc(C)cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,BOIAGRCIHJRIDO-UHFFFAOYSA-N
-rxn:4:191195:228623,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1sccc1C1CCC1)c1c2CCC1,IHZIUIDTOUXSPT-UHFFFAOYSA-N
-rxn:4:191205:223753,Cc1ccc(-c2ccc3c(c2)C2c4sc(=O)n(Cc5ccccc5)c4SC(c4ccccc4)C2C(=O)O3)cc1OCCCN1CCN(C)CC1,UZMAXJRJRKDQMA-UHFFFAOYSA-N
-rxn:4:191623:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)c(F)cc3[N+](=O)[O-])cc(F)c2F)CC1,TVGVCRMCBHCXDC-UHFFFAOYSA-N
-rxn:4:191718:223492,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1[N+](=O)[O-],NXTCEEGHRNYOED-UHFFFAOYSA-N
-rxn:4:192239:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(F)c3S(N)(=O)=O)c(F)cc2C)CC1,AGSQLJWOMXFXCK-UHFFFAOYSA-N
-rxn:4:192450:223492,Cc1cc(-c2ncccc2CC(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GSXHWSQZRWUMSM-UHFFFAOYSA-N
-rxn:4:192623:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(C)(=O)=O)cc1S(N)(=O)=O,PKYFJUPLLZBCAF-UHFFFAOYSA-N
-rxn:4:192701:223542,COc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cnc1C(C)C,MXLQOGJULWBVGG-UHFFFAOYSA-N
-rxn:4:192772:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)ccc2F)CC1,FYFVFFXVFRDYIR-UHFFFAOYSA-N
-rxn:4:192775:222633,CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)o2)SC1=S,KFGLCZVFTICCRM-UHFFFAOYSA-N
-rxn:4:192775:222638,CCN1C(=O)C(=Cc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)o2)SC1=S,LGCOIGHJVGDITB-UHFFFAOYSA-N
-rxn:4:192775:222684,CCN1C(=O)C(=Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)SC1=S,VZKPSHDWCZKPBI-UHFFFAOYSA-N
-rxn:4:192775:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C=C4SC(=S)N(CC)C4=O)o3)c2)CC1,YXTLYIPVCOMUQH-UHFFFAOYSA-N
-rxn:4:192862:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cccnc2OC2CCCC2)c(C(F)(F)F)c1,SKZTUQGVZHNDJI-UHFFFAOYSA-N
-rxn:4:193183:222522,COc1ccc(-c2c(C)cc(OC)c(S(N)(=O)=O)c2C)cc1S(=O)(=O)N1CCC(O)CC1,DFEYQSIOCLGOTQ-UHFFFAOYSA-N
-rxn:4:193233:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1,SQLMPVNTPWJYSJ-UHFFFAOYSA-N
-rxn:4:193293:224198,CCN1CCN(Cc2ccc(-c3cc(N4CCCS4(=O)=O)cc(C(F)(F)F)c3)c(F)c2)CC1,PLUXAWQKDWYDMT-UHFFFAOYSA-N
-rxn:4:193347:223840,COc1ccc(-c2cccc(CN3CCOCC3)c2F)cc1S(=O)(=O)N1CCN(C)CC1,XIPHXWVPHNBWLG-UHFFFAOYSA-N
-rxn:4:193475:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(F)cc1CN1CCC(=O)CC1,IILQAKAYXPQVQS-UHFFFAOYSA-N
-rxn:4:193500:223922,CN(C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)ccc1Cl)C1CCCCC1,OTBGHFIFIXRPRQ-UHFFFAOYSA-N
-rxn:4:193507:224195,CCN1CCN(Cc2cc(-c3cccc(C(=O)N4CCC(F)(F)CC4)c3Cl)ccc2Cl)CC1,IHCDNKUEVPISAV-UHFFFAOYSA-N
-rxn:4:193557:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,GOWVJBALDSHMMJ-UHFFFAOYSA-N
-rxn:4:193579:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)c(C(F)F)c3)cc2)CC1,NPFVMXIKLOECKR-UHFFFAOYSA-N
-rxn:4:193617:224306,Cc1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c(C(=O)N2CCSCC2)c1F,OJWVYFFPPLCBIE-UHFFFAOYSA-N
-rxn:4:193626:222633,CC(C)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)SC1=S,XARDIHXYVRTBES-UHFFFAOYSA-N
-rxn:4:193631:224125,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1,PCKQMLVKTIPWBJ-UHFFFAOYSA-N
-rxn:4:193685:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,JWGGOOSYQZAYKJ-UHFFFAOYSA-N
-rxn:4:193697:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3C=CN(S(C)(=O)=O)CC3)cc2)CC1,OMKOATSBQOAVBO-UHFFFAOYSA-N
-rxn:4:193708:222540,CN1C(=O)C(=Cc2ccc(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)o2)SC1=S,LIMYTUQOFOOJBX-UHFFFAOYSA-N
-rxn:4:193711:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(N3C(=O)C(=Cc4ccccc4Cl)SC3=S)cc2)c1,KAGMHBWZYAACCT-UHFFFAOYSA-N
-rxn:4:193778:224751,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1,PLXXLGKDLCYSKV-UHFFFAOYSA-N
-rxn:4:193792:222522,COc1ccc(-c2ccccc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CCC(O)CC1,HKQWINZNVPWROK-UHFFFAOYSA-N
-rxn:4:193808:222588,CC1CCN(Cc2cc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)ccc2Cl)CC1,NVQMBAWBFXUJFD-UHFFFAOYSA-N
-rxn:4:193825:224397,O=C1CCN(C2(c3cccc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)c3)CC2)CC1,HRFXNUHSECNXGK-UHFFFAOYSA-N
-rxn:4:193827:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,JDPWIPSVKWSDKK-UHFFFAOYSA-N
-rxn:4:193837:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,ABILEGYXFYMXHP-UHFFFAOYSA-N
-rxn:4:193838:222684,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,UUJXPZNVTMRTCN-UHFFFAOYSA-N
-rxn:4:193838:224410,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1,GYMWJIYEOSJDOF-UHFFFAOYSA-N
-rxn:4:193908:224194,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3C)cc2Cl)CC1,RDNLXEFGALBRAY-UHFFFAOYSA-N
-rxn:4:193934:223970,Cc1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,PNPCTUFOFUKOEI-UHFFFAOYSA-N
-rxn:4:193964:224597,Cc1cc(-c2cc(C3CC3)cc(N3CCOCC3)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1,SLXKWHOZZCVYGZ-UHFFFAOYSA-N
-rxn:4:193997:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)c(S(=O)(=O)N4CCCC(C)C4)cc3C)cc2)CC1,LDWKBEKVSNYSOD-UHFFFAOYSA-N
-rxn:4:194421:223993,Cc1cc(-c2cccc(C(=O)N3CC4CC3CS4)c2)ccc1S(=O)(=O)N1CCN(C)CC1,RZVTUIJVZQQHCU-UHFFFAOYSA-N
-rxn:4:194516:223755,CC1CCN(CCCOc2ccc(-c3cccc(S(=O)(=O)N4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,KRQJEPVHQIEDOE-UHFFFAOYSA-N
-rxn:4:194730:224680,COC1CCN(C2CCc3cc(-c4cc(C(=O)N5CCCCC5)ccc4F)ccc32)CC1,SLQDOZHICXLXCL-UHFFFAOYSA-N
-rxn:4:194750:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,DAVWNDLPPUQEPE-UHFFFAOYSA-N
-rxn:4:194750:222956,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)c(C2CCCNC2)c1,KPSBUNPWIVLZII-UHFFFAOYSA-N
-rxn:4:194750:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,POYHTYHVVTXFCK-UHFFFAOYSA-N
-rxn:4:194751:222581,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccc(S(=O)(=O)NC(C)C)c4ccccc34)ccc21,PNZHWSSFPWWIMV-UHFFFAOYSA-N
-rxn:4:194776:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4(N5C(=O)c6ccccc6C5=O)CC5(C4)OCCO5)cc3)cc2)CC1,QMTRXUIRQOGLLJ-UHFFFAOYSA-N
-rxn:4:194785:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)cc3)c2)CC1,UHJYRHGHUNTQEO-UHFFFAOYSA-N
-rxn:4:194794:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(F)cc1,YQVITZOQXBYZKR-UHFFFAOYSA-N
-rxn:4:194802:224319,Cc1ccc(N2C(=O)C3C(c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,ROIYCICWMZARPU-UHFFFAOYSA-N
-rxn:4:195406:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1csc(C2COC2)n1,IKJBHQSYLCMJQD-UHFFFAOYSA-N
-rxn:4:196022:223490,Cc1ccc(-c2ccc(C3COC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DVQMZBCBQNPVKK-UHFFFAOYSA-N
-rxn:4:196184:223530,Cc1cc(F)c(S(N)(=O)=O)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,VVLVFDPEQOQREF-UHFFFAOYSA-N
-rxn:4:196601:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(N4CCCC4=O)c3)cn2)CC1,QRVWKAVOMCHCGK-UHFFFAOYSA-N
-rxn:4:196987:223490,Cc1ccc(-c2ccccc2N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VPJZZEPEKYMXAG-UHFFFAOYSA-N
-rxn:4:197224:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc4c(c([N+](=O)[O-])c3)OCCO4)c2)CC1,ZQOTWLIEXGMUIO-UHFFFAOYSA-N
-rxn:4:197714:223492,CCc1cn(C)c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(F)cc12,BLARRBOINHQCKM-UHFFFAOYSA-N
-rxn:4:197722:222514,COc1ccc(-c2ccc3c(c2)OCCC3S(N)(=O)=O)cc1S(=O)(=O)NC1CCCCC1,CBLBBRZNKQRQCQ-UHFFFAOYSA-N
-rxn:4:197880:223593,Cc1cccc(N2C(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3C2=O)c1,DQTAGMHETIESAO-UHFFFAOYSA-N
-rxn:4:197988:224406,CC1CCN(C2CCCc3c(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cccc32)CC1,ISSYLPSOLPWMGM-UHFFFAOYSA-N
-rxn:4:197991:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CCCC3N2CCC(C)CC2)CC1,VGDUWIXIIWURIB-UHFFFAOYSA-N
-rxn:4:199468:224170,CCOC(=O)Cc1c(-c2ccc(OCCCN3CCCC3)c(Cl)c2)ccc([N+](=O)[O-])c1C#N,JHDCFNQMYBPJCB-UHFFFAOYSA-N
-rxn:4:199550:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(OCC(C)(C)C(=O)OC(C)(C)C)nc1,OXEGXECQNPFCNA-UHFFFAOYSA-N
-rxn:4:199570:225984,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cnc(Cl)c(N3CCOCC3)c2)c1,VOVVIBMHSRFBOH-GOSISDBHSA-N
-rxn:4:199575:223294,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2csc(N3CCNCC3)n2)c1,OZJNPBKJEGJQPI-UHFFFAOYSA-N
-rxn:4:199577:223831,COc1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,LPXFAYGKVQBYKC-UHFFFAOYSA-N
-rxn:4:199606:222740,CC(C)c1cc(-c2cnccc2OC2CCN(C(=O)COc3ccc(Cl)cc3)C2)cc(C2CCCNC2)n1,CKLXRFMHJFOGDG-UHFFFAOYSA-N
-rxn:4:199624:224379,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,IGNFCGVXCBJYEP-UHFFFAOYSA-N
-rxn:4:199626:222638,COc1ccccc1C(=O)N1CCN=C1SCc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1,NUNIKTNQICHJBW-UHFFFAOYSA-N
-rxn:4:199637:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1,XHJOTAAMVZGNFJ-UHFFFAOYSA-N
-rxn:4:199640:222638,CCN1CCN(CCCOc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)CC1,FGAHJIAXHJYKQE-UHFFFAOYSA-N
-rxn:4:199643:222638,CCN1CCN(CCCOc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2F)CC1,NYASKWPUQNDLMI-UHFFFAOYSA-N
-rxn:4:199645:225537,CCN(CC)Cc1ccc(F)c(-c2cccc(OCC3CCCN3C(=O)OC(C)(C)C)n2)c1,UWSGZTKUNOLAQU-UHFFFAOYSA-N
-rxn:4:199664:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(OC3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)ccc1F,HOFMQSWLKIAVSE-UHFFFAOYSA-N
-rxn:4:199689:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)nc1,WTUJTQGUGGSUNV-UHFFFAOYSA-N
-rxn:4:199691:223239,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cncc(C2CCCN2)c1,VULFNLKXHIXGGZ-UHFFFAOYSA-N
-rxn:4:199698:222538,CCOc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,MBWAYEBETIUNHD-UHFFFAOYSA-N
-rxn:4:199698:224680,CCOc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,FILRONOIZSIINN-UHFFFAOYSA-N
-rxn:4:199712:223139,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C2CCNCC2)nc1,RHWNFTWOQUUFBD-UHFFFAOYSA-N
-rxn:4:199712:223697,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,UWQZGIUGHVBHMC-UHFFFAOYSA-N
-rxn:4:199714:223574,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,XBKGXMULJBPGNJ-UHFFFAOYSA-N
-rxn:4:199719:223673,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cccc(COc3cc(C(F)(F)F)ccc3Cl)c2)CC1,AJEIRJORACETMY-UHFFFAOYSA-N
-rxn:4:199726:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C#N)c2F)CC1,KEIGQHVEWVINLN-UHFFFAOYSA-N
-rxn:4:199757:226374,CN(Cc1ccc(-c2cncnc2C2CCCCC2)cc1N1CCCC1)C(=O)OC(C)(C)C,IAGQEXCDQXWNFI-UHFFFAOYSA-N
-rxn:4:199778:227251,CCCOc1ccc(F)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,AYXGABDVYAFEPG-UHFFFAOYSA-N
-rxn:4:199783:226174,CN(Cc1ccc(-c2ccc(C3CCCCC3)nc2)cc1N1CCOCC1)C(=O)OC(C)(C)C,GCGKLEOWCPBMQC-UHFFFAOYSA-N
-rxn:4:199785:223727,CCCCCc1ccc(-c2cccc(F)c2-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1,LNDAJEZNQZXDFF-UHFFFAOYSA-N
-rxn:4:199790:225971,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(Cl)c(-n2ccc(C)n2)c1,PSRQWFYNTQHKBJ-UHFFFAOYSA-N
-rxn:4:199791:224832,COc1ccc(-c2ccc(-c3ncon3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PAAUORBVQMHQAY-UHFFFAOYSA-N
-rxn:4:199792:222684,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)o2)cc1,KKBJGQNXMIMNGX-UHFFFAOYSA-N
-rxn:4:199794:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)Oc4c(Sc5ccccc5)c(C)nn4C(C)(C)C)c3)cc2)CC1,DVEDSPNDWCYYSX-UHFFFAOYSA-N
-rxn:4:199811:226844,CC1CN(C(=O)Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,YINZXFUSJWSAKN-UHFFFAOYSA-N
-rxn:4:199825:227325,CN(Cc1ccc(-c2ccc(OC(C)(C)C)nc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,WTPFPZOMOOKUMR-UHFFFAOYSA-N
-rxn:4:199828:223279,CN(Cc1c(Cl)cccc1-c1cnc(C2CCCN2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LQEIBTDWUUWELC-UHFFFAOYSA-N
-rxn:4:199829:223279,CC1CN(CCc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CCN1C(=O)OC(C)(C)C,ZKSWFNYOLVGNFQ-UHFFFAOYSA-N
-rxn:4:199863:223279,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cnc(C2CCCN2)nc1,NFSSMQQXKFUMCT-UHFFFAOYSA-N
-rxn:4:199863:225369,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C(=O)OC)cc([N+](=O)[O-])c1Cl,JNGWVHWYHKBBBW-UHFFFAOYSA-N
-rxn:4:199869:223970,CCCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,WMCXCMXTESFBQL-UHFFFAOYSA-N
-rxn:4:199870:222413,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(S(N)(=O)=O)cc1C,CHGHFPNUZICXCO-UHFFFAOYSA-N
-rxn:4:199870:223257,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NOC)cc1,ILGMLHCWKODGHI-UHFFFAOYSA-N
-rxn:4:199870:223280,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCNC2)nc1,JKHUXZZJRLVXPL-UHFFFAOYSA-N
-rxn:4:199870:224825,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C(=O)N(C)OC)cc([N+](=O)[O-])c1,MWIVIGIOEZUWKH-UHFFFAOYSA-N
-rxn:4:199870:227593,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(OC)c(Cl)cc1OC,UVUDLRUTCQSWEN-UHFFFAOYSA-N
-rxn:4:199870:227682,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C#N)cc([N+](=O)[O-])c1,ZRBQKUNBOQCFDG-UHFFFAOYSA-N
-rxn:4:199883:223704,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)CC2)CC1,LLBCNADFDOEBGO-UHFFFAOYSA-N
-rxn:4:199883:223852,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)CC2)CC1,CNVWZHCYEGTJKY-UHFFFAOYSA-N
-rxn:4:199911:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N=c4sc5cc(OC)ccc5n4CC(=O)OC)s3)c(F)c2)CC1,OSEXRMWTWUICFM-UHFFFAOYSA-N
-rxn:4:199967:223184,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cnc(N3CCNCC3)nc2)cc1,KKLZXOTWIMYCSX-UHFFFAOYSA-N
-rxn:4:199981:227182,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc5cc(Cl)ccc45)cc32)SC1=S,WFPGGYMSGGDVQM-UHFFFAOYSA-N
-rxn:4:199983:223279,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,VNMYGSUPBRBAFY-UHFFFAOYSA-N
-rxn:4:199999:226437,CC(C)(C)OC(=O)N=c1c2ccc(-c3cc(C4CCCC4)ncc3F)cc2ccn1C(=O)OC(C)(C)C,SULGZKDOEHYLEY-UHFFFAOYSA-N
-rxn:4:199999:228211,CC(C)(C)OC(=O)N=c1c2ccc(-c3cc(N4CCCC4)cs3)cc2ccn1C(=O)OC(C)(C)C,BVEPYJDSWAFSCS-UHFFFAOYSA-N
-rxn:4:200013:222540,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4cccc(C(=O)NCCN5CCCCC5)c4)ccc3OC)N2C1=O,HFGGLKZRWBINGB-UHFFFAOYSA-N
-rxn:4:200015:222633,COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc31)CC2,LMCBNCIMKUSDKJ-UHFFFAOYSA-N
-rxn:4:200016:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)cc1,OSSZIYYUWYYKDU-UHFFFAOYSA-N
-rxn:4:200017:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2CCC(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1,OVVQKFFAQQNPKI-UHFFFAOYSA-N
-rxn:4:200019:222638,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)C2=O)c2ccccc21,SUOCDARIJYHJST-UHFFFAOYSA-N
-rxn:4:200019:223960,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(F)c(C(=O)N5CCN(CC)CC5)c4)cc3)C2=O)c2ccccc21,RVYLNLQWCLZGSN-UHFFFAOYSA-N
-rxn:4:200023:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCOCC5)cccc4C3=O)cc2)c1,XGCOSHRFCKDPMD-UHFFFAOYSA-N
-rxn:4:200027:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CSc3cn(CC(=O)N4CCCCCC4)c4ccccc34)cc2)cc1,SAQJRLLAGFMOLS-UHFFFAOYSA-N
-rxn:4:200028:222633,CC1CCN(C(=O)Cn2cc(SCc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3ccccc32)CC1,OGUDKVWMYXKUHS-UHFFFAOYSA-N
-rxn:4:200029:222633,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3ccccc23)CC1,VTAKEWGOEIGJIL-UHFFFAOYSA-N
-rxn:4:200030:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCCC4)c4ccccc43)cc2)cc1,LQNNUXFKKOKSFJ-UHFFFAOYSA-N
-rxn:4:200033:222633,CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3o2)C1,QGKMUXXFKQUNTI-UHFFFAOYSA-N
-rxn:4:200038:222633,CC(C)(C)[Si](OCc1nn2c(c1-c1ccc(C(=O)NCCN3CCCC3)cc1)CCC2)(c1ccccc1)c1ccccc1,KOGXQBMFMDPJTF-UHFFFAOYSA-N
-rxn:4:200039:222415,COc1ccc(-c2ccc(F)c(S(N)(=O)=O)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,LWEVRQWLGHTWJI-UHFFFAOYSA-N
-rxn:4:200039:222741,COc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,QHXMRVJSCSFADS-UHFFFAOYSA-N
-rxn:4:200039:222998,COc1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,HFXQVRVGMLQENE-UHFFFAOYSA-N
-rxn:4:200039:223170,COc1ccc(-c2cnc(C3CCCNC3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,KRSBOXLGWDCSFH-UHFFFAOYSA-N
-rxn:4:200039:223200,COc1ccc(-c2ccc(C3CCNC3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,BPMLSKNLLJOLNL-UHFFFAOYSA-N
-rxn:4:200039:224614,COc1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,JEBHAZZCIYFDTL-UHFFFAOYSA-N
-rxn:4:200040:224198,CCN1CCN(Cc2ccc(-c3ccc(CS(=O)(=O)c4cn(CC(=O)N5CCCCCC5)c5ccccc45)cc3)c(F)c2)CC1,MEUPJGXORVAAOI-UHFFFAOYSA-N
-rxn:4:200042:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc3c(c2)CCCN3C(=O)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,GCSJPCDFTHSEAG-UHFFFAOYSA-N
-rxn:4:200043:222633,CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c3ccccc23)CC1,DEQAOTOBLTUXPT-UHFFFAOYSA-N
-rxn:4:200046:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCCCC5)cccc4C3=O)cc2)cc1,OPKPELOJTGRCAY-UHFFFAOYSA-N
-rxn:4:200048:222540,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,XHXXLYHUMLHZMC-UHFFFAOYSA-O
-rxn:4:200057:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)cc1,YEJGVWTXVJRLQV-UHFFFAOYSA-N
-rxn:4:200057:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)c1,HYCQZRWMUKBFNT-UHFFFAOYSA-N
-rxn:4:200066:226844,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,NJMKHFDNWHVGKE-UHFFFAOYSA-N
-rxn:4:200104:222633,CCOC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1C#N,ZEZSQUUOTAJQBG-UHFFFAOYSA-N
-rxn:4:200105:222638,CCOC(=O)c1c(C#N)cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],BFFXITMBIPGMPO-UHFFFAOYSA-N
-rxn:4:200118:222633,COC(=O)C(C#N)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1[N+](=O)[O-],GLKKDXYRWZXBJX-UHFFFAOYSA-N
-rxn:4:200158:222540,COC(=O)C(C(=O)OC)c1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cn1,NTFLBEKZIUWBMR-UHFFFAOYSA-N
-rxn:4:200198:222632,O=C(NCCN1CCCC1)c1cccc(-c2cncc(C(=O)N3CC(OCC(F)(F)F)C3)c2)c1,FCANWEPEXVOCEY-UHFFFAOYSA-N
-rxn:4:200215:222633,CC(C)(C)OC(=O)C(C#N)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cn1,KNFZITQSARQCAU-UHFFFAOYSA-N
-rxn:4:200217:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c1,CRCDVYKYHZRLJF-UHFFFAOYSA-N
-rxn:4:200235:222465,CCN(CC)Cc1cc([N+](=O)[O-])ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,KYKRNSBGGISHRK-UHFFFAOYSA-N
-rxn:4:200314:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4)o3)cc2)CC1,QKONEKALPIUCNW-UHFFFAOYSA-N
-rxn:4:200316:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCN=C3SCc3cccc(F)c3)o2)cc1,XEQONZLNNVELDF-UHFFFAOYSA-N
-rxn:4:200318:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccccc3F)o2)c1,GVHVAGJFUUGIGB-UHFFFAOYSA-N
-rxn:4:200319:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCN=C3SCc3c(F)cccc3Cl)o2)cc1,RFTPQDVQWIDBBA-UHFFFAOYSA-N
-rxn:4:200330:223836,COc1ncnc2c1cc(-c1cc([N+](=O)[O-])ccc1OCCN1CCCCC1)n2C(=O)OC(C)(C)C,NIRGUXMKXJPSHW-UHFFFAOYSA-N
-rxn:4:200356:222633,N#CC1CCN(CCCc2ccccc2-c2ccc(C(=O)NCCN3CCCC3)cc2)CC1,LPLOGXBTZNLZHA-UHFFFAOYSA-N
-rxn:4:200367:225087,CN(C)CCCOc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C#N)c2)cc1F,RXJHIBZBHKHOHJ-UHFFFAOYSA-N
-rxn:4:200371:222684,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)C1,RCRHPRFPOGHHSQ-UHFFFAOYSA-N
-rxn:4:200394:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc(F)cc3)cc2)c1,VHWHGODIKHNVMW-UHFFFAOYSA-N
-rxn:4:200395:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4ccccc4F)cc3)cc2)CC1,ATYLCOFHDYUICK-UHFFFAOYSA-N
-rxn:4:200446:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccccc4)cc3)cc2)CC1,GCSKDGNHVATTJL-UHFFFAOYSA-N
-rxn:4:200452:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3Cl)cc2)s1,RQAOOHSCTDLDLY-UHFFFAOYSA-N
-rxn:4:200455:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(F)cc3)cc2)c1,FNNLSTHWWVHXNU-UHFFFAOYSA-N
-rxn:4:200497:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(OC3CCN(C(=O)Cc4ccccc4Cl)C3)nc2)cc1,ROTVEDJGVKMHET-UHFFFAOYSA-N
-rxn:4:200512:222638,COc1ccc([N+](=O)[O-])cc1N1C(=O)CC(Sc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)C1=O,MQNQOWGDBDFGMF-UHFFFAOYSA-N
-rxn:4:200519:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c1,LKAHMLAPFBCRFO-QHCPKHFHSA-N
-rxn:4:200521:222638,Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1,DMZUWWSXSLNSNJ-UHFFFAOYSA-N
-rxn:4:200522:222638,Cc1cccc(C(=O)N2CCN=C2SCc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)c1,DXNUEMHTZRETKK-UHFFFAOYSA-N
-rxn:4:200526:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3CCN=C3SCc3cccc(C)c3)cc2)CC1,WRJZSZLYIMEFHP-UHFFFAOYSA-N
-rxn:4:200527:223522,Cc1cccc(CSC2=NCCN2C(=O)c2cccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)c1,QXNFBIMXPJSXGM-UHFFFAOYSA-N
-rxn:4:200534:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccccc3)o2)cc1,NZCUTFTXKCWISM-UHFFFAOYSA-N
-rxn:4:200536:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3cccc(Cl)c3)o2)cc1,UGNODZLAOMNAPR-UHFFFAOYSA-N
-rxn:4:200536:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1,AZHPHYLXGSKBHV-UHFFFAOYSA-N
-rxn:4:200542:222633,CC(=O)Oc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1C1=NN(C(C)=O)C(c2ccccc2)O1,NGHHOVCYSMNFDM-UHFFFAOYSA-N
-rxn:4:200542:222636,CC(=O)Oc1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1C1=NN(C(C)=O)C(c2ccccc2)O1,YNUWDNGWVIMPCA-COBFLCELSA-N
-rxn:4:200542:224612,CC(=O)Oc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1C1=NN(C(C)=O)C(c2ccccc2)O1,XJIYZUOWMBDMIW-UHFFFAOYSA-N
-rxn:4:200565:222583,CCOC(=O)c1cnn(-c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)c1C1CCCC1,MYCJDXWDUQEVNG-UHFFFAOYSA-N
-rxn:4:200567:223829,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3C)c(C)c2)CC1,KWLHEYYLCCPXCD-UHFFFAOYSA-N
-rxn:4:200568:223141,CCOc1ccc(-c2cncc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,MRXMFADREXYPTL-UHFFFAOYSA-N
-rxn:4:200575:228129,COc1cc(C#N)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C(F)(F)F,BJFOAXWKVSLGCH-UHFFFAOYSA-N
-rxn:4:200578:224196,CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1cc(F)cc(CN2CCN(CC)CC2)c1,BOKKKNQFIVUJAK-UHFFFAOYSA-N
-rxn:4:200587:224681,COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)cn2)C1,RDVJLJUZWXTYES-UHFFFAOYSA-N
-rxn:4:200599:226691,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cnc(Cl)c(N2CCCC2)c1,ICOKPGOBQGDLKN-UHFFFAOYSA-N
-rxn:4:200601:222684,CC(C)(C)N(C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)C(=O)N1CCCCC1,UKABWFOGWFWJKZ-UHFFFAOYSA-N
-rxn:4:200611:225975,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2F)C1,WBQGQLKZMNUQLI-UHFFFAOYSA-N
-rxn:4:200614:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)cc1,YKRYEUOEIPMEDE-UHFFFAOYSA-N
-rxn:4:200614:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)c2)CC1,QPTREINYBDNXIB-UHFFFAOYSA-N
-rxn:4:200631:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(C=C3SC(=S)N(CCC(=O)N4CCOCC4)C3=O)c2)cc1,XNHVZNMSHIUUKE-UHFFFAOYSA-N
-rxn:4:200631:227000,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccccc3OCC3CC3)c2)SC1=S)N1CCOCC1,UGSSLYAJLRUWRA-UHFFFAOYSA-N
-rxn:4:200643:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,PAKJLXLJSXJCHH-UHFFFAOYSA-N
-rxn:4:200644:225218,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2OC)CC1,QPQIERFEWUVPMU-UHFFFAOYSA-N
-rxn:4:200645:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C3CCCCC3)cc2)c1,FBTJDKMVMFDATO-UHFFFAOYSA-N
-rxn:4:200663:222633,CCC(=O)N1N=C(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1c1ccc(OC)cc1,PDQFLPSEOKTSMF-UHFFFAOYSA-N
-rxn:4:200667:222583,Cc1ccc(N(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)o2)C(=O)N2CCCCC2)cc1,VZXWWVXBHLDXNA-UHFFFAOYSA-N
-rxn:4:200674:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(COc4ccncc4)C3)cc2)cc1,DNVHFVXSHIBFAG-UHFFFAOYSA-N
-rxn:4:200693:225984,CC(C)(C)OC(=O)CN1CCN(c2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,XPPFNUHKWUTWKT-UHFFFAOYSA-N
-rxn:4:200701:222632,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2cccc(C(=O)NCCN3CCCC3)c2)CC1,BUVZTWRJWQWICQ-UHFFFAOYSA-N
-rxn:4:200701:223166,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2ccc(N3CCNCC3)nc2)CC1,VCLBIWBYNUGOHC-UHFFFAOYSA-N
-rxn:4:200716:225161,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(F)c(C(=O)N3CCCC3)c2)CC1,RPFCYVUZNYDKJF-UHFFFAOYSA-N
-rxn:4:200718:222633,O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,PSFRQYRKVATHGX-UHFFFAOYSA-N
-rxn:4:200720:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,QUFGDLHFDORFEY-UHFFFAOYSA-N
-rxn:4:200725:225199,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(OC4CCCC4)c(F)c3)cc(C(F)(F)F)c2)CC1,SAKPFBFAIFWTFL-UHFFFAOYSA-N
-rxn:4:200729:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,CDIJCWASSHYSTD-UHFFFAOYSA-N
-rxn:4:200739:222632,COc1ccc(OC)c(C2CC(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)=NN2C(C)=O)c1,NIAMZNBDXDMNPR-UHFFFAOYSA-N
-rxn:4:200739:222633,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NN2C(C)=O)c1,PTVQKYPKAZYYLD-UHFFFAOYSA-N
-rxn:4:200773:222958,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(C)c(C5CCNCC5)c4)cc3)=NN2S(C)(=O)=O)c1,AWVRJEOCAYSBSC-UHFFFAOYSA-N
-rxn:4:200774:222633,COc1cccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NN2S(C)(=O)=O)c1OC,YUXJEKLXNLGPPW-UHFFFAOYSA-N
-rxn:4:200775:222633,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)SC2=S)cc1,SWWMVQJJMXEVDT-UHFFFAOYSA-N
-rxn:4:200775:222638,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)SC2=S)cc1,OOMIPWDQJCVMMQ-UHFFFAOYSA-N
-rxn:4:200787:222632,C[C@H]1CN(C(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,OVVZFABOTASBAC-NRFANRHFSA-N
-rxn:4:200787:222633,C[C@H]1CN(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,AYGLPIIOOBWWKN-NRFANRHFSA-N
-rxn:4:200790:222633,C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c(F)c2)CCN1C(=O)OC(C)(C)C,NMOQIURSXWIDLY-OAQYLSRUSA-N
-rxn:4:200794:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(CC=Cc4ccccc4)CC3)cc2)cc1,ZQORIKGBZSVHHU-UHFFFAOYSA-N
-rxn:4:200797:222583,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,NSEFXRIOMQYKAN-UHFFFAOYSA-N
-rxn:4:200800:224377,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2)ccn1,UWLZDCMNBLAALE-UHFFFAOYSA-N
-rxn:4:200805:225158,CCN1C(=O)C(=Cc2cc(-c3ccc(C(=O)N4CCSCC4)cc3)c(OC)cc2OC)SC1=Nc1ccccc1,APHLTUUTGAAOMW-UHFFFAOYSA-N
-rxn:4:200811:226844,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UGXLXNHKSRCHCH-UHFFFAOYSA-N
-rxn:4:200813:222633,CC(c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FBAHNXXLTDGCQT-UHFFFAOYSA-N
-rxn:4:200820:223697,C[C@@H]1CN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)CCN1C(=O)OC(C)(C)C,IDHFUCBZMMCWGG-HXUWFJFHSA-N
-rxn:4:200822:222701,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CC1,OKNBSDIGOIPSFF-UHFFFAOYSA-N
-rxn:4:200828:226844,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)cc1F,OTRSOCQJYQEFSG-UHFFFAOYSA-N
-rxn:4:200837:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2CCC(=O)N2CCCN(C3CCSC3)CC2)cc1,UKAXLSSYNHQSDB-UHFFFAOYSA-N
-rxn:4:200838:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2CCC(=O)N2CCCN(C3CCOC3)CC2)cc1,PPPLHTQRWLUHLE-UHFFFAOYSA-N
-rxn:4:200841:222632,COC(=O)C1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2N2CCCC2)CC1,NULQYFWQENHUMU-UHFFFAOYSA-N
-rxn:4:200846:223776,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)CC1,VMSVROYJPKQTBW-UHFFFAOYSA-N
-rxn:4:200851:222583,COc1ccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2S(=O)(=O)c2ccccc2)cc1,DALLFTXUFUOHOY-UHFFFAOYSA-N
-rxn:4:200852:222633,COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2)cc1,YUCVOEPBHUJTLT-UHFFFAOYSA-N
-rxn:4:200853:222943,COC(=O)C1CCN(Cc2ccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2N2CCOCC2)CC1,IMAZHWXQVPNMBK-UHFFFAOYSA-N
-rxn:4:200854:225688,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2N2CCOCC2)C1,OYVZGQIOJATOLM-UHFFFAOYSA-N
-rxn:4:200862:223184,CCOc1ccc(-c2cnc(N3CCNCC3)nc2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,QCTDMNYCKSKBJJ-UHFFFAOYSA-N
-rxn:4:200866:223036,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(NC(=O)C(C)(C)C)nc2)c1,LDRNXYLHJGBMCN-UHFFFAOYSA-N
-rxn:4:200878:223279,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,ZEORFJKYPRLGNE-UHFFFAOYSA-N
-rxn:4:200880:222583,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)CC1,WHIZNZSTGQXXSD-UHFFFAOYSA-N
-rxn:4:200882:222632,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c1)C2,ATPHDWNTXMZUGQ-UHFFFAOYSA-N
-rxn:4:200884:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cc1)C2,ZRANOKDGUMMHJZ-UHFFFAOYSA-N
-rxn:4:200886:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)c1,YJXRUEFYGHMAAV-UHFFFAOYSA-N
-rxn:4:200886:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1,IQPHFACWYDYYHK-UHFFFAOYSA-N
-rxn:4:200887:222633,COc1ccccc1C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,QTUZKKJRIYKLTQ-UHFFFAOYSA-N
-rxn:4:200888:222633,COc1ccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,VRMLQBWSFHSZJR-UHFFFAOYSA-N
-rxn:4:200892:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,GVDIQAIILMZWEO-UHFFFAOYSA-N
-rxn:4:200900:222633,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)=NC23CCCCC3)cc1OC,OFXGFULBUBNMIG-UHFFFAOYSA-N
-rxn:4:200901:222924,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)NC(C)C)c4)cc3)C2=S)c1,BBLUYVNSKJQLSM-UHFFFAOYSA-N
-rxn:4:200902:222633,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc2)CC3)cc1,LBRNVKRJFWRKBK-UHFFFAOYSA-N
-rxn:4:200902:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)CC1,XJBBZTRQVFDWQK-UHFFFAOYSA-N
-rxn:4:200904:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(OC)c(OC)c5)C4=S)cc3)c2)CC1,GXBMGSCUGZPGIK-UHFFFAOYSA-N
-rxn:4:200904:225723,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)=NC23CCCCCC3)cc1OC,MXUHEURODZABLR-UHFFFAOYSA-N
-rxn:4:200904:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc1OC,APXBNMDXMARHCP-UHFFFAOYSA-N
-rxn:4:200906:222684,Cc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,HNWGRKIGLMHJRB-UHFFFAOYSA-N
-rxn:4:200906:224247,Cc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,GCLNGZOQUYTUEE-UHFFFAOYSA-N
-rxn:4:200950:222583,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c2c(Cl)ccnc21,WDUKJFQPZBMHCA-UHFFFAOYSA-N
-rxn:4:200966:223569,CCn1c(=NC(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)s2)sc2cc(C(=O)OC)ccc21,KMYXUKIMUJSACJ-UHFFFAOYSA-N
-rxn:4:200971:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(F)ccc5n4CC(=O)OC)cc3)cc2)CC1,VHLNQTUDNPYQNU-UHFFFAOYSA-N
-rxn:4:200973:223810,CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C(C)(C)C)cc2c1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,VTEZWJJIFUIKJD-UHFFFAOYSA-N
-rxn:4:201013:222632,CCCN1C(SCc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)=NS(=O)(=O)c2ccccc21,WNIGNTJQYJENRT-UHFFFAOYSA-N
-rxn:4:201014:222633,CCCN1C(SCc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)=NS(=O)(=O)c2ccccc21,WABVBMWIFGKWOH-UHFFFAOYSA-N
-rxn:4:201014:222684,CCCN1C(SCc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=NS(=O)(=O)c2ccccc21,ZDEVBMGKTRTYRA-UHFFFAOYSA-N
-rxn:4:201034:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)N(c2ccccc2)C(C)C)c1,FHFKSZRJLREPHN-UHFFFAOYSA-N
-rxn:4:201044:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(OC)cc3OC)n4CC)cc2)CC1,GEBXLMPSHFYOSZ-UHFFFAOYSA-N
-rxn:4:201049:222540,COc1ccc2sc(OC3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)nc2c1,OCIZOUUFDJCWQV-UHFFFAOYSA-N
-rxn:4:201057:225240,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(-c5cc(F)cc(F)c5)c4)cc32)SC1=S,XVMPRCSJDXEWRU-UHFFFAOYSA-N
-rxn:4:201059:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1,YPISBILARMTGFP-UHFFFAOYSA-N
-rxn:4:201060:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc4ccccc34)cc2)cc1,WLKNIGFBDPEBJI-UHFFFAOYSA-N
-rxn:4:201072:225294,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCN(CC)CC5)nc4)ccc3OC)N2C1=O,AVFXXOQZPSBUCL-UHFFFAOYSA-N
-rxn:4:201075:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)cc1,QBUYJKJCMUXXEH-UHFFFAOYSA-N
-rxn:4:201085:222633,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2=O)c2ccccc21,KCWGKSSZKWKWMP-UHFFFAOYSA-N
-rxn:4:201085:223753,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)C2=O)c2ccccc21,MDAOJFNUDINWAN-UHFFFAOYSA-N
-rxn:4:201090:224704,CC1CCN(c2cc(-c3ccc(C(=O)Oc4c(CN5CCOCC5)cc(Cl)c5cccnc45)cc3)cc(F)c2F)CC1,ILTSSZNPPBCPKV-UHFFFAOYSA-N
-rxn:4:201108:222923,Cc1ccc(-c2ccccc2CCC(=O)N2CC(N3CC4CCCC4C3)C2)cc1S(=O)(=O)NC1CC1,BTHZPRDIVBOESL-UHFFFAOYSA-N
-rxn:4:201123:225227,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)ccc21,VPEVCRGNMWOCEC-UHFFFAOYSA-N
-rxn:4:201130:222583,CCOc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)cc1,IATRFPIXWLYNHD-UHFFFAOYSA-N
-rxn:4:201140:222632,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)c3ccccc3S2(=O)=O)c1,VOTBFCGHCMPCMQ-UHFFFAOYSA-N
-rxn:4:201141:222583,COc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)cc1OC,BAEFIDRLDLATMG-UHFFFAOYSA-N
-rxn:4:201141:222633,COc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3ccccc3S2(=O)=O)cc1OC,IKTMUXHBXZTSER-UHFFFAOYSA-N
-rxn:4:201145:222633,CN1CCN(CCOc2ccc3c(=O)c(-c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)coc3c2)CC1,JYYGQGRURJUYTH-UHFFFAOYSA-N
-rxn:4:201146:226844,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,LJHNZLSRNVBJBY-UHFFFAOYSA-N
-rxn:4:201164:222633,CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,KYROWFBMWFOARK-UHFFFAOYSA-N
-rxn:4:201171:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,TWOWGKOMSWTKQT-KTUXTGMZSA-N
-rxn:4:201171:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,VARBAXODFXJCAH-UHFFFAOYSA-N
-rxn:4:201171:222572,O=C(NCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)c1cccc(F)c1,QLZNIQXVQIXMJL-UHFFFAOYSA-N
-rxn:4:201171:222591,O=C(N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,PSXVDLAIEZIISQ-UHFFFAOYSA-N
-rxn:4:201171:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,NYRSMECBRCJEMZ-UHFFFAOYSA-N
-rxn:4:201171:222664,O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,KAEPONPDFIKLDP-UHFFFAOYSA-N
-rxn:4:201171:222669,O=C(Nc1cccc(Cl)c1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,UQIAUECPBXRPFO-UHFFFAOYSA-N
-rxn:4:201171:222671,O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,YHYPGZQIAXSULB-UHFFFAOYSA-N
-rxn:4:201171:222688,O=C(Nc1ccccn1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F,XOQZLJMCVPEMKM-UHFFFAOYSA-N
-rxn:4:201171:222832,O=C(N1CCN=C1SCc1ccc(-c2cccc(CNc3ccccc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,VGFGXALXFPOIAO-UHFFFAOYSA-N
-rxn:4:201171:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,MSKGUKYUEDXRDC-UHFFFAOYSA-N
-rxn:4:201171:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1,OMKUTOHLMWJUDR-UHFFFAOYSA-N
-rxn:4:201171:223076,O=C(N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,ILRNYBMZFWGOTB-UHFFFAOYSA-N
-rxn:4:201171:223116,C#CCNC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,XWRHDYJUSUKGRP-UHFFFAOYSA-N
-rxn:4:201171:223328,Cc1c[nH]c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc12,HVFHJHMTMOAYCE-UHFFFAOYSA-N
-rxn:4:201171:223425,O=C(N1CCN=C1SCc1ccc(-c2ccccc2C=NO)cc1)C12CC3CC(CC(C3)C1)C2,UPSHAWIVHZHASP-UHFFFAOYSA-N
-rxn:4:201171:223690,COC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1S(=O)(=O)c1ccc(C)cc1,IYENDFNIMLUAFV-UHFFFAOYSA-N
-rxn:4:201171:223766,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cc(C#N)ccc21,BMFMLZGMGCBFPA-UHFFFAOYSA-N
-rxn:4:201171:223859,O=C(N1CCN=C1SCc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ZYQHWSWFMLYHRL-UHFFFAOYSA-N
-rxn:4:201171:223938,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cc(Cl)ccc21,NMUOPVVFNUWZCD-UHFFFAOYSA-N
-rxn:4:201171:224069,CC(C)(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2ccccn2)c1,YDURRFZYRRTVPL-UHFFFAOYSA-N
-rxn:4:201171:224104,COc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OCc1ccccc1,JUBFXBQQELZPNM-UHFFFAOYSA-N
-rxn:4:201171:224112,COc1ccc(OCc2ccccc2)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,NTQUSBPEXQTDEG-UHFFFAOYSA-N
-rxn:4:201171:224195,CCN1CCN(Cc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc2Cl)CC1,SKNWUCLJGZWQRO-UHFFFAOYSA-N
-rxn:4:201171:224202,Cc1cc(Cl)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OCc1cccnc1,LHDQCLZRCXUNKJ-UHFFFAOYSA-N
-rxn:4:201171:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc21,NPZKLMVBIHMTEB-UHFFFAOYSA-N
-rxn:4:201171:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1F,CLKLWZVGFBEFRA-UHFFFAOYSA-N
-rxn:4:201171:224516,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,JWGBAPKPWYVLQW-UHFFFAOYSA-N
-rxn:4:201171:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,MMVQMODUKYKBSR-UHFFFAOYSA-N
-rxn:4:201171:224784,O=C(N1CCN=C1SCc1ccc(-c2cc(OC(F)(F)F)cc3cccnc23)cc1)C12CC3CC(CC(C3)C1)C2,ORHLCRNBIVQGKR-UHFFFAOYSA-N
-rxn:4:201171:224785,O=C(N1CCN=C1SCc1ccc(-c2ccc(OC(F)(F)F)c3ncccc23)cc1)C12CC3CC(CC(C3)C1)C2,NHJZQRHQFHVOHA-UHFFFAOYSA-N
-rxn:4:201171:224883,CC(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)N1CCCCC1,DWYGTWVLIOLTEN-UHFFFAOYSA-N
-rxn:4:201171:224969,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1C(=O)OC(C)(C)C,ANXDKCPRCIEQOK-UHFFFAOYSA-N
-rxn:4:201171:224977,N#Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1N1CCCCC1,XSNNGJYVYYVDSI-UHFFFAOYSA-N
-rxn:4:201171:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,CSKLAAGFHLYHJP-UHFFFAOYSA-N
-rxn:4:201171:225464,CC1CCCN(c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)C1,RIPQHZFPBLMVQV-UHFFFAOYSA-N
-rxn:4:201171:225655,CC1CCN(c2cncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,VUSQXIZFYAPKKW-UHFFFAOYSA-N
-rxn:4:201171:225740,CCCOc1c(Cl)cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OC,OZKUUVLZPLSURX-UHFFFAOYSA-N
-rxn:4:201171:225800,O=C(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)N1CCSC1,GOROTMAGIMJVKY-UHFFFAOYSA-N
-rxn:4:201171:225908,CCOc1ccc(C(F)(F)F)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,XBDBTZNCPUAVNX-UHFFFAOYSA-N
-rxn:4:201171:226101,CCN(CC)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1,VUJFHJYBXSQBSR-UHFFFAOYSA-N
-rxn:4:201171:226421,O=C(N1CCN=C1SCc1ccc(-c2ccc(Cl)cc2N2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2,OWIMHIKNTISKEB-UHFFFAOYSA-N
-rxn:4:201171:226615,Cc1cnn(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccn2)c1,MEJYGHQVZVGVMT-UHFFFAOYSA-N
-rxn:4:201171:226651,O=C(N1CCN=C1SCc1ccc(-c2cnn(-c3cccc(Cl)c3)c2)cc1)C12CC3CC(CC(C3)C1)C2,YAWSSLISAJFWSL-UHFFFAOYSA-N
-rxn:4:201171:226682,O=C(N1CCN=C1SCc1ccc(-c2cnc(-n3cccc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,DSOXXIBRTTYQNB-UHFFFAOYSA-N
-rxn:4:201171:227028,N#CC1(c2cccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,GPYSLHLSPRSJAG-UHFFFAOYSA-N
-rxn:4:201171:227148,Cc1cc2c(cnn2C)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,XKNSLPWSRYDZRO-UHFFFAOYSA-N
-rxn:4:201171:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,VNVJNSUIZJAVKN-UHFFFAOYSA-N
-rxn:4:201171:227938,CCOc1c(C)cccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,KLPJTPUXNBJOKG-UHFFFAOYSA-N
-rxn:4:201171:228058,Cc1nc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2o1,LFVTXSJVWRCWLM-UHFFFAOYSA-N
-rxn:4:201171:228075,O=C(N1CCN=C1SCc1ccc(-c2cc3c(F)cccc3s2)cc1)C12CC3CC(CC(C3)C1)C2,ZJJVYWVDEHBFAK-UHFFFAOYSA-N
-rxn:4:201171:228190,Cc1cc(N(C)C)ncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,HFHSIMIPGQCNRM-UHFFFAOYSA-N
-rxn:4:201171:228635,Cc1c(F)ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C,GCBJWVKOSOXMOC-UHFFFAOYSA-N
-rxn:4:201171:228862,N#CCCn1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,NWWWDKJNJNARGU-UHFFFAOYSA-N
-rxn:4:201171:228995,CCc1cncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,BEEYUDPQFDHYAI-UHFFFAOYSA-N
-rxn:4:201171:229280,O=C(N1CCN=C1SCc1ccc(-c2cnc(F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,SAGXPTMWLHKPDR-UHFFFAOYSA-N
-rxn:4:201183:224410,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)N1CCCN1CCOCC1,OYCNRNDINYXQTI-UHFFFAOYSA-N
-rxn:4:201189:222456,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1,MFBYJPLDWIFHHL-UHFFFAOYSA-N
-rxn:4:201190:222633,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(C(=O)NCCN4CCCC4)cc2)c1)N(CCCN1CCOCC1)C3=O,FABWIMQCKJNLGJ-UHFFFAOYSA-N
-rxn:4:201192:224727,COC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)cc(OC(C)(C)C)n1,XQPVWPMDQZZFHF-UHFFFAOYSA-N
-rxn:4:201208:222633,O=C(NCCN1CCCC1)c1ccc(-c2cncc([N+](=O)[O-])c2OS(=O)(=O)C(F)(F)F)cc1,DBQXRWDTGORODK-UHFFFAOYSA-N
-rxn:4:201234:223755,CCOC(=O)c1nc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)[nH]c1C(F)(F)F,UQOHFJFMBIURQY-UHFFFAOYSA-N
-rxn:4:201251:222583,COC(=O)c1cc(C#N)c([N+](=O)[O-])c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1,XRVUGNKPAVNHQF-UHFFFAOYSA-N
-rxn:4:201264:223753,COC(=O)c1c([N+](=O)[O-])ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1C#N,BROOOYZKWUQXSE-UHFFFAOYSA-N
-rxn:4:201321:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OCC2CC2)c([N+](=O)[O-])c1,HNLUJEWYWSFHQS-UHFFFAOYSA-N
-rxn:4:201426:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCC3)c([N+](=O)[O-])c2)c1,XGDFPEGLQJJQMS-UHFFFAOYSA-N
-rxn:4:201559:222545,COC(=O)c1c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(CC(C)C)nn1C,KTVPIUSQHQVXEZ-UHFFFAOYSA-N
-rxn:4:201576:222633,N=S(=O)(CC(=O)N1CCC1)c1cccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,ORMXMJKVCPPFPT-UHFFFAOYSA-N
-rxn:4:201621:223839,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1,UKJNYJSZPGSUQA-UHFFFAOYSA-N
-rxn:4:201644:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)on3)c(F)cn2)CC1,LDLDRZZSDSYSSO-UHFFFAOYSA-N
-rxn:4:201659:222633,N#CCC(=O)C1CCCN(c2ccccc2-c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O,RZPDFHBSNRSKDS-UHFFFAOYSA-N
-rxn:4:201674:222633,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O,IURPYYKWJKJCPU-UHFFFAOYSA-N
-rxn:4:201676:222632,N#CCC(=O)C1CCCN(c2c(F)cccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C1=O,ZHCJKOSCCCGHSH-UHFFFAOYSA-N
-rxn:4:201676:222633,N#CCC(=O)C1CCCN(c2c(F)cccc2-c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O,GIBMZUSOEBEGDD-UHFFFAOYSA-N
-rxn:4:201676:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc(F)c2N2CCCC(C(=O)CC#N)C2=O)c1,WBYPPZANIPQCHH-UHFFFAOYSA-N
-rxn:4:201677:222633,N#CCC(=O)C1CCCN(c2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2F)C1=O,KQVPRHJXVHZLLC-UHFFFAOYSA-N
-rxn:4:201683:224059,COc1c(-c2cn(C(=O)OC(C)(C)C)c(C(C)C)n2)cc(C(C)(C)C)cc1C(C)(C)C,AXGVSIBBAKTHJG-UHFFFAOYSA-N
-rxn:4:201693:222638,CCOC(=O)c1ncc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1N1CCOCC1,IRJSEAZFBWEXRP-UHFFFAOYSA-N
-rxn:4:201785:222622,CCOC(=O)C1CCN(c2ccc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)cn2)CC1,FIYSFTYEAWOCPA-UHFFFAOYSA-N
-rxn:4:201790:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,WGFQVAOGPRKBDB-UHFFFAOYSA-N
-rxn:4:201797:225723,Cc1cc(N2CCCC(C(=O)CC#N)C2=O)ccc1-c1ccc(OCCN(C)C)c(Cl)c1,YLJPYCYJPLVADP-UHFFFAOYSA-N
-rxn:4:201799:222633,Cc1cccc(N2CCCC(C(=O)CC#N)C2=O)c1-c1ccc(C(=O)NCCN2CCCC2)cc1,CRAZNRFRNLVWGZ-UHFFFAOYSA-N
-rxn:4:201801:222633,CC(C#N)C(=O)C1CCCN(c2ccccc2-c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O,GNUVLYIDMBGFQX-UHFFFAOYSA-N
-rxn:4:201804:222903,COCCNC(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCN(C)CC3)c2)c(Cl)c1,VUQNZLKTQUKAFZ-UHFFFAOYSA-N
-rxn:4:201823:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1,QYBCBVKYWFXBEV-UHFFFAOYSA-N
-rxn:4:201823:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)s1,UFJXRYNSWRQVAU-UHFFFAOYSA-N
-rxn:4:201823:223960,CCN1CCN(C(=O)c2cc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)ccc2F)CC1,BHWDCQIJDRVWEK-UHFFFAOYSA-N
-rxn:4:201827:224377,CN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,YFPSSZHDFFFBQJ-UHFFFAOYSA-N
-rxn:4:201835:223830,CCN1CCN(c2cc(OC(F)F)cc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,CGYYQSIQUBFLQW-UHFFFAOYSA-N
-rxn:4:201861:223279,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],WCKFBZHQJDZLGF-UHFFFAOYSA-N
-rxn:4:201862:226844,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],DQZPVBPFRGBNBP-UHFFFAOYSA-N
-rxn:4:201872:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCN(C(=O)c5ccccc5F)C4)nc3)cc2)CC1,OLXPTQFMBVYIKP-UHFFFAOYSA-N
-rxn:4:201887:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(F)cc4F)C3)c(F)cc2C)CC1,KSEZXLBFSIMQNT-UHFFFAOYSA-N
-rxn:4:201893:222633,CN1CCN(C(=O)CCc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,RAOHCFKDVOGPDX-UHFFFAOYSA-N
-rxn:4:201908:222743,CC(c1ccc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc1)N1CCC(O)CC1,LRQRMLCPMUUVGB-UHFFFAOYSA-N
-rxn:4:201915:224415,O=[N+]([O-])c1cccc(C2SCCN2S(=O)(=O)c2ccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2)c1,OCYOTDSLZCOAMJ-UHFFFAOYSA-N
-rxn:4:201916:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCSC3c3ccc([N+](=O)[O-])cc3)cc2)s1,PEKRYVGVEIAVAS-UHFFFAOYSA-N
-rxn:4:201924:223672,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccccc3COc3cc(C(F)(F)F)ccc3Cl)s2)CC1,IZJDCDHCWPFAIU-UHFFFAOYSA-N
-rxn:4:201933:222751,Cc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1NC(=O)OC(C)(C)C,KSURMGFVBOCVDE-UHFFFAOYSA-N
-rxn:4:201934:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccn3)c2)CC1,ZEKWOCQBHFEPGD-UHFFFAOYSA-N
-rxn:4:201937:223658,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1,GJSSLJPKXJACMZ-UHFFFAOYSA-N
-rxn:4:201939:222633,Cc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)ccc1OCC(=O)N1CCN(C)CC1,SKVCNMOQZLANIJ-UHFFFAOYSA-N
-rxn:4:201946:223882,Cc1cccc2c1cc(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)nc1)n2C(=O)OC(C)(C)C,ZUXKDVSGGMVCAI-UHFFFAOYSA-N
-rxn:4:201947:225233,CC1CCCN(c2cc(-c3cnc(N4CCCC4)c(C(=O)OC(C)(C)C)c3)cnc2Cl)C1,PTCGPNZNBHSXTE-UHFFFAOYSA-N
-rxn:4:201968:222740,CC(C)c1cc(-c2ccc(N3CCC(F)(F)C3)nc2C(=O)OC(C)(C)C)cc(C2CCCNC2)n1,MNPDXLRAJAOIHK-UHFFFAOYSA-N
-rxn:4:201968:226471,CN(C)CCOc1ccc(-c2ccc(N3CCC(F)(F)C3)nc2C(=O)OC(C)(C)C)cn1,HJBXHFWEQYHVGW-UHFFFAOYSA-N
-rxn:4:201977:222633,COc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,GKOPKGFRPWFUCY-UHFFFAOYSA-N
-rxn:4:201987:224653,CCN1CCN(Cc2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2OC)CC1,XWBOLYJDNVDGMK-UHFFFAOYSA-N
-rxn:4:201992:225980,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(N4CCOCC4)ncc3F)nc2)C1,HTFBKJBPYOUTKX-UHFFFAOYSA-N
-rxn:4:201995:225977,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(Cl)cnc3N3CCOCC3)ccn2)C1,MMUSMEPOIRJECW-UHFFFAOYSA-N
-rxn:4:202012:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cc1,XDSMAOOCLDHYJE-UHFFFAOYSA-N
-rxn:4:202014:225507,COC(=O)C1CCc2cc(-c3ccccc3CN3CCN(S(=O)(=O)C4CC4)CC3)ccc21,AQHZNDOMMUQALS-UHFFFAOYSA-N
-rxn:4:202035:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5ccncc5)CC4)cc3)cc2)CC1,GUWNVBQRPBGMRL-UHFFFAOYSA-N
-rxn:4:202038:223753,Cc1ccc(-c2ccc(C(=O)N3CCCC(Oc4ccncc4)C3)cc2)cc1OCCCN1CCN(C)CC1,OWFCITMXECDJHV-UHFFFAOYSA-N
-rxn:4:202075:223107,COc1ncc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1NS(C)(=O)=O,HMWMRWQIVBYVAU-UHFFFAOYSA-N
-rxn:4:202076:222633,CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)o2)CC1,GITICBJBAOZJDX-UHFFFAOYSA-N
-rxn:4:202080:222633,Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2)nc1,ATHSHHCFMWRACK-UHFFFAOYSA-N
-rxn:4:202086:223671,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)ccc1F,WJAGNSJTXUJFNA-UHFFFAOYSA-N
-rxn:4:202087:224612,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)cc1[N+](=O)[O-],YKIVWZQNSSDYJT-UHFFFAOYSA-N
-rxn:4:202093:222540,CC(C)N1CCN(CCc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,LKZSASDSHCGDHG-UHFFFAOYSA-N
-rxn:4:202114:225288,CC(C)Oc1ccc(-c2cncc(C3CCCCN3C(=O)OC(C)(C)C)c2)c(C(F)(F)F)c1,LQGUPVIXAZJCJV-UHFFFAOYSA-N
-rxn:4:202116:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1,KOGMFGVPKFVSTN-UHFFFAOYSA-N
-rxn:4:202121:224270,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c2)CC1,GOJIGXNNNJUGCH-UHFFFAOYSA-N
-rxn:4:202123:225318,CC(C)(C)OC(=O)c1nc(N2CCCCC2)ccc1-c1c(F)cc(N2CCOCC2)cc1F,VJHPVVKKSMUVLR-UHFFFAOYSA-N
-rxn:4:202134:223997,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc(C)c1S(=O)(=O)N1CCOCC1,WTWFPUAQGDOOFX-UHFFFAOYSA-N
-rxn:4:202150:222633,CCC1(C)N=C(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C(=S)N1C(=O)c1ccccc1,QQZUVXOMNFQNDR-UHFFFAOYSA-N
-rxn:4:202151:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3=NN(C(=O)C4CCCO4)C(c4ccco4)C3)cc2)cc1,XHDREIBQZJZENS-UHFFFAOYSA-N
-rxn:4:202153:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)cc1,UEUNZLPVMCIHAN-UHFFFAOYSA-N
-rxn:4:202153:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C=C4SC(=S)N(CC(=O)N5CCCCC5)C4=O)c3)c2)CC1,YGONIIIVPWXRRP-UHFFFAOYSA-N
-rxn:4:202156:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)c1,QFCVUYCOKJDKHM-UHFFFAOYSA-N
-rxn:4:202157:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(S(=O)(=O)c5ccccc5)CC4)c3)c(F)c2)CC1,HWQFJVXCJIRMHI-UHFFFAOYSA-N
-rxn:4:202175:223421,CNC(C)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)s1,HRZXHVVSSFJJBL-UHFFFAOYSA-N
-rxn:4:202180:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)c(Cl)c1,UMHRHPRFGOEHFW-UHFFFAOYSA-N
-rxn:4:202185:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(OC)cc5)C4=S)cc3)c(F)c2)CC1,RUPNCANAPHUTKO-UHFFFAOYSA-N
-rxn:4:202197:225723,CN(C)CCOc1ccc(-c2ccc(CN3CCOC(C(=O)N4CCSCC4)C3)cc2)cc1Cl,COFKNRZWWFGLPN-UHFFFAOYSA-N
-rxn:4:202198:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(CN5CCOC(C(=O)N6CCSCC6)C5)c4)c3)cccc12,CHVBCAKOPQXWEX-UHFFFAOYSA-N
-rxn:4:202200:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCOCC1,SBZBKWRNVAIZLR-UHFFFAOYSA-N
-rxn:4:202215:222638,COc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,NWIYYFAJNLNZSV-UHFFFAOYSA-N
-rxn:4:202221:222540,COc1ccc(C=C2SC(=Nc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)N(C)C2=O)c(OC)c1,DWRKCXVMZYTFSS-UHFFFAOYSA-N
-rxn:4:202221:222633,COc1ccc(C=C2SC(=Nc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)N(C)C2=O)c(OC)c1,HUMNTVJTOSRLJG-UHFFFAOYSA-N
-rxn:4:202227:222702,Cc1cc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,ALIQMGDTGLIMKX-UHFFFAOYSA-N
-rxn:4:202239:222633,CN1CCN(Cc2ccc(C(=O)c3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)cc2)CC1,NJJCFWRFXCSSDR-UHFFFAOYSA-N
-rxn:4:202240:222633,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)cc2)CC1,ACVLSVBUNJOZRP-UHFFFAOYSA-N
-rxn:4:202242:222540,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c2)CC1,YJJSBOQGSKVGNF-UHFFFAOYSA-N
-rxn:4:202242:222633,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c2)CC1,MSJPDCBXFGWUMK-UHFFFAOYSA-N
-rxn:4:202242:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)c3cccc(CN4CCN(C)CC4)c3)cc2)c1,MNWZZRUELUCMSO-UHFFFAOYSA-N
-rxn:4:202244:222633,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,MXQRKSZVBBGNKY-UHFFFAOYSA-N
-rxn:4:202248:222633,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c(F)c3)c2)CC1,GECLJNXLFVABHO-UHFFFAOYSA-N
-rxn:4:202249:222633,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3F)c2)CC1,FAPUOHAPRZIDTF-UHFFFAOYSA-N
-rxn:4:202250:222633,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c(F)c2)CC1,GRISDUZGZVINHG-UHFFFAOYSA-N
-rxn:4:202253:222633,CCC1(C)N=C(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,UAPSVZPGSNOPFV-UHFFFAOYSA-N
-rxn:4:202261:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)c(F)c2)CC1,DVRKASHRBGVEAD-UHFFFAOYSA-N
-rxn:4:202272:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCCC(C(=O)N6CCSCC6)C5)cc4)c3)cccc12,XOBMTOFDEGCCGL-UHFFFAOYSA-N
-rxn:4:202272:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCC(C(=O)N3CCSCC3)C2)cc1,BLEOFHVOTORGIY-UHFFFAOYSA-N
-rxn:4:202284:225181,COc1ccc(-c2cccc(CN3CCOCC3)c2F)cc1CN1CCC(N2CCCC2)CC1,OZGYENYEWBZHJN-UHFFFAOYSA-N
-rxn:4:202290:228490,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)F)c4)cc3)CC2)C1,UBDNVIVELJGBHY-UHFFFAOYSA-N
-rxn:4:202293:222633,CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)C(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C1,SSHJCQBFGIWUHO-UHFFFAOYSA-N
-rxn:4:202306:224677,CCN1CCN(Cc2cc(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)cc(C(C)(C)C)c2)CC1,NUTZWGVRIGBKIE-UHFFFAOYSA-N
-rxn:4:202312:223268,CNC(=O)c1cc(Cl)cc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)c1,PYANIVQOZXTNGG-UHFFFAOYSA-N
-rxn:4:202313:226844,O=C(C1CCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,TXIDBJOIGVTDHF-UHFFFAOYSA-N
-rxn:4:202318:222638,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)oc2N2CCOCC2)cc1,PJVGTZGNYRULMF-UHFFFAOYSA-N
-rxn:4:202318:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4nc(S(=O)(=O)c5ccc(C)cc5)c(N5CCOCC5)o4)cc3)c2)CC1,VLBSXFOASUIILU-UHFFFAOYSA-N
-rxn:4:202323:222633,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,DRIUABOJQSMASM-UHFFFAOYSA-N
-rxn:4:202328:222755,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)NCc4cccs4)cc3)CC2)CC1,HVPNKXMWQZTJRY-UHFFFAOYSA-N
-rxn:4:202330:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,NUXPQCNYZARALG-UHFFFAOYSA-N
-rxn:4:202337:222486,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)o2)CC3)cc1,QQLDAIXXKWWKFR-UHFFFAOYSA-N
-rxn:4:202338:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)cc1,DKGMRJZVRMPPAH-UHFFFAOYSA-N
-rxn:4:202339:222633,CC1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)oc2-c2ccc(Cl)cc2)C1,OSRQTYCWCGIQLQ-UHFFFAOYSA-N
-rxn:4:202346:222684,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC23CCCCCC3)cc1,OVGZVLLLCAWPMK-UHFFFAOYSA-N
-rxn:4:202346:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(OC)cc5)C4=S)cc3)c(F)c2)CC1,YDNANTJRWJGMAN-UHFFFAOYSA-N
-rxn:4:202346:224612,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)=NC23CCCCCC3)cc1,IWJHKLOWIUYXRK-UHFFFAOYSA-N
-rxn:4:202353:222583,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,ULRYXRZVYOPULB-UHFFFAOYSA-N
-rxn:4:202518:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1,CEJNHXPANLVTFK-MRNPHLECSA-N
-rxn:4:202518:222907,CC(C)[C@H]1c2nc(-c3ccncc3NC(=O)OC(C)(C)C)sc2CN1C(=O)OC(C)(C)C,KXUVTTLNZPVDIA-SFHVURJKSA-N
-rxn:4:202596:226844,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,LEDCWROBUBMKOP-UHFFFAOYSA-N
-rxn:4:202598:225327,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(C(F)(F)F)cnc3OCCC)ccc21,NCVJFGWHSSLRJZ-UHFFFAOYSA-N
-rxn:4:202600:226844,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LCZVMLIHODKFCK-UHFFFAOYSA-N
-rxn:4:202604:222633,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,BMWLRUWDWJQWSS-UHFFFAOYSA-N
-rxn:4:202632:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)CC3)o2)c1,JCOXTGCPOTZYDP-UHFFFAOYSA-N
-rxn:4:202641:222633,COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2S1(=O)=O,GUZRFWQBNPOBOK-UHFFFAOYSA-N
-rxn:4:202656:223072,CCCNS(=O)(=O)c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)cc1,XJONSKLGAWCAJV-UHFFFAOYSA-N
-rxn:4:202659:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc3ccn(CC(=O)N4CCOC(c5ccccc5)C4)c3c2)c1,HYGGCAGMDGUEAH-UHFFFAOYSA-N
-rxn:4:202661:224527,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cccc(COc4ccc(Cl)cc4)c3)ccc21,ASTDUUOUGNCPNH-UHFFFAOYSA-N
-rxn:4:202661:229039,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cccc(Cl)c3C)ccc21,ILPPRHMIQHYOJF-UHFFFAOYSA-N
-rxn:4:202662:222826,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)N2C(=O)C(C)SC2=N1,HAMVUGIINUOZCY-UHFFFAOYSA-N
-rxn:4:202676:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)cc1,MRVVGVGWGNCYKO-UHFFFAOYSA-N
-rxn:4:202682:222540,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,ASEADVZQDIWZFJ-UHFFFAOYSA-N
-rxn:4:202685:222622,CCC(C)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)cc(C2CCCNC2)n1,WLMYTKIPFURKSX-UHFFFAOYSA-N
-rxn:4:202685:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)c1,DKBZMVCTXMLARJ-UHFFFAOYSA-N
-rxn:4:202687:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CC(=O)N3CC(N4CCc5ccccc5C4)C3)cc2)cc1,DJTAEJGQDDIRLO-UHFFFAOYSA-N
-rxn:4:202690:222638,CC1Oc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,MKFJSTHNTRSUDZ-UHFFFAOYSA-N
-rxn:4:202694:226286,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccc(Cl)c(OCC(C)C)c3)ccc21,UHLFTRHVXQHDAV-UHFFFAOYSA-N
-rxn:4:202696:222540,COc1cccc(N2C(=NC(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)SC3CS(=O)(=O)CC32)c1,MNVRHSOLPXDHHO-UHFFFAOYSA-N
-rxn:4:202700:222491,O=C(Nc1ccc(F)c(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)c1)OCc1ccccc1,RFYDGFISHJNEAX-UHFFFAOYSA-N
-rxn:4:202703:224808,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3)ccc21,BJPHTMPWLLQTSQ-UHFFFAOYSA-N
-rxn:4:202707:222845,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C(C)N5CCNCC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,BKATZRHBEXOTJO-UHFFFAOYSA-N
-rxn:4:202707:223062,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(C5CCNCC5)cc4F)cc3F)C3CS(=O)(=O)CC32)c1,IAKGELOVMBKWMQ-UHFFFAOYSA-N
-rxn:4:202707:223199,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(C5CCNC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,AQKUYIULYQZOJK-UHFFFAOYSA-N
-rxn:4:202707:224199,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCN(C(C)=O)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,IQHUWMBBJXFONT-UHFFFAOYSA-N
-rxn:4:202707:224501,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCC5CCCCN5C)cc4)cc3F)C3CS(=O)(=O)CC32)c1,XPFOEJUXEIPWJY-UHFFFAOYSA-N
-rxn:4:202707:225144,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCOCC5)cc4C#N)cc3F)C3CS(=O)(=O)CC32)c1,CDRXYFUYEBWKNK-UHFFFAOYSA-N
-rxn:4:202720:223753,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)c2c1,JQOBCWDOXBYKDH-UHFFFAOYSA-N
-rxn:4:202728:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CC(=O)N3CCC(N4CCc5ccccc5C4)C3)cc2)cc1,KTWBXQLDRZMSNF-UHFFFAOYSA-N
-rxn:4:202736:223666,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)ccc21,QHXZFAOJNGFICD-UHFFFAOYSA-N
-rxn:4:202745:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4C5C(=O)N(Cc6ccccc6)C(=O)C5ON4c4ccccc4)cc3)c2)CC1,FREBZTLPYQRWGK-UHFFFAOYSA-N
-rxn:4:202751:223755,COc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cc4)C(=O)C3ON2c2ccccc2)cc1,OUUPCDJXEBMGPE-UHFFFAOYSA-N
-rxn:4:202755:222633,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc3OCC2=O)CC1,GYWKHQGOLCAADO-UHFFFAOYSA-N
-rxn:4:202756:225299,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cc(C)c(S(=O)(=O)N(C)C)c(C)c3)ccc21,NIQCLSYQEDDAOI-UHFFFAOYSA-N
-rxn:4:202757:222633,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)c3ccccc3S2(=O)=O)cc1,VRJGASPZLFLMKF-UHFFFAOYSA-N
-rxn:4:202764:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccccc2C(=O)ON2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1,DFYPRNHAVKDENV-UHFFFAOYSA-N
-rxn:4:202797:222633,COc1cccc2c1OC1(C)CC2N(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)o2)C(=S)N1c1ccc(F)cc1,UDQXMSUVFIYEGY-UHFFFAOYSA-N
-rxn:4:202804:225044,C[Si](C)(C)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc([Si](C)(C)C)c1,JLFSVLGRTANEFJ-UHFFFAOYSA-N
-rxn:4:202807:222391,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)cc1,OPXGAPBJHNFMGC-UHFFFAOYSA-N
-rxn:4:202807:222459,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2F)cc1,DUSNCJJHRVBXJP-UHFFFAOYSA-N
-rxn:4:202807:222609,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1,HMVOYOVUBZLVSU-UHFFFAOYSA-N
-rxn:4:202807:222722,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1,QXYHQLSUCURACF-UHFFFAOYSA-N
-rxn:4:202807:222915,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)cc1,KPTDWSNOQDAKDH-UHFFFAOYSA-N
-rxn:4:202807:222958,Cc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1C1CCNCC1,SSTOLYWZYZIFEF-UHFFFAOYSA-N
-rxn:4:202807:223195,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNC(C)C)cc2)cc1,QFFONGZPXXFBRD-UHFFFAOYSA-N
-rxn:4:202807:223262,CNC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1Cl,QKAVOWHQEXTEKA-UHFFFAOYSA-N
-rxn:4:202807:223690,COC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cn1S(=O)(=O)c1ccc(C)cc1,KYDDZDZSUZXPCH-UHFFFAOYSA-N
-rxn:4:202807:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,HMKQQLCVKYYMRJ-UHFFFAOYSA-N
-rxn:4:202807:224286,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1,SKUMHUIIWBAMCV-UHFFFAOYSA-N
-rxn:4:202807:224426,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1,NQBVPAOSNIRGRY-UHFFFAOYSA-N
-rxn:4:202807:224497,CCN1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,IKSLLPCSPFXAMJ-UHFFFAOYSA-N
-rxn:4:202807:224573,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCCC3C)cc2C#N)cc1,KGAYHPQSLTUOCX-UHFFFAOYSA-N
-rxn:4:202807:224999,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCOCC3)cc2)cc1,XHWWMQLQXXVIEN-UHFFFAOYSA-N
-rxn:4:202807:225817,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc1,ODIXNEGPIHHIFM-UHFFFAOYSA-N
-rxn:4:202807:226395,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cncc(N3CCCCC3)c2)cc1,XJXQFNLJUYIVKK-UHFFFAOYSA-N
-rxn:4:202807:226921,Cc1cc(C)c(C2CC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,PMEZTZBTAJMROE-UHFFFAOYSA-N
-rxn:4:202807:227767,CCn1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c(C(F)(F)F)n1,WMWDWCROFLXKBI-UHFFFAOYSA-N
-rxn:4:202813:222633,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc2OC3c2ccccc2Cl)cc1,BFMXWDXGHQJOCI-UHFFFAOYSA-N
-rxn:4:202817:222583,CCc1cccc(N2C(=O)N(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C3CC2(C)Oc2ccccc23)c1,QAUNDAQDLOHLOY-UHFFFAOYSA-N
-rxn:4:202817:222633,CCc1cccc(N2C(=O)N(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C3CC2(C)Oc2ccccc23)c1,PXVVZSFFBLQUJM-UHFFFAOYSA-N
-rxn:4:202818:222633,Cc1ccc(C2Oc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,WNIGBIIEMSVTTK-UHFFFAOYSA-N
-rxn:4:202819:222633,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc2OC3c2ccc(C(C)C)cc2)cc1,LSSCAHKCGVAGPD-UHFFFAOYSA-N
-rxn:4:202961:222633,O=C(NCCN1CCCC1)c1ccc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1,JETDNXRYANURNZ-UHFFFAOYSA-N
-rxn:4:203220:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)n2)cc1,RDZBBPXKMDQPAF-UHFFFAOYSA-N
-rxn:4:203221:222633,O=C(NCCN1CCCC1)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccn2)cc1,IVZXTMKVBQLWPI-UHFFFAOYSA-N
-rxn:4:203223:222633,O=C(NCCN1CCCC1)c1ccc(-c2cncc(C(=O)ON3C(=O)CCC3=O)c2)cc1,OAMMJLMNGDZEOY-UHFFFAOYSA-N
-rxn:4:203478:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(OC4CCOCC4)c(C#N)c3)c(F)ccc21,NYCNBYLSNKDBLI-UHFFFAOYSA-N
-rxn:4:203630:222466,CCCc1nc(N2CCOCC2)sc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,WQSTZNVWZUHTBW-UHFFFAOYSA-N
-rxn:4:203649:222633,N#CC1CCN(C(=O)c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2Cl)CC1,FYAHXNGKZFRMFB-UHFFFAOYSA-N
-rxn:4:203676:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCOCC3)cc2)CC1,BMRRPDYPEQOYLY-UHFFFAOYSA-N
-rxn:4:203684:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCOCC2)c1OC,YUBILYDOQROMBP-UHFFFAOYSA-N
-rxn:4:203769:223895,CCN1CCN(CCOc2ccc(-c3ccc(N(C)CC4CCOCC4)nc3)cc2)CC1,SOVNPKDOBNDBEG-UHFFFAOYSA-N
-rxn:4:203792:222633,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,NVMXHJZIUILJIY-UHFFFAOYSA-N
-rxn:4:203796:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc(N3C(=O)C(=Cc4ccccc4[N+](=O)[O-])SC3=S)c2)c1,DIGHGXMAMZCALZ-UHFFFAOYSA-N
-rxn:4:203834:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(C(=O)N5CCC(N6C(=O)CSC6=O)C5)c4)c3)cccc12,GEGUQWHBVRYCFA-UHFFFAOYSA-N
-rxn:4:203852:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C(=O)C(=O)N(c5ccc(OC)cc5)C4=S)cc3)c(F)c2)CC1,QMRONXFCJIQENU-UHFFFAOYSA-N
-rxn:4:203863:222638,CCN1CCN(Cc2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2Cl)CC1,MPCIXFGWBDLZDZ-UHFFFAOYSA-N
-rxn:4:203880:222723,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)C1,DGQMIFDNTILWSY-UHFFFAOYSA-N
-rxn:4:203884:224323,Cc1cc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCCC1,YKPAJOKVPMSURF-UHFFFAOYSA-N
-rxn:4:203887:224169,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(OCCCN4CCOCC4)c3)cc2)CC1,HELYMMRITCKJBT-UHFFFAOYSA-N
-rxn:4:203889:224598,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)cc1N1CCN(C)CC1,VUQRCVINUBHSQV-UHFFFAOYSA-N
-rxn:4:203893:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cncc(CC4CCCN(S(C)(=O)=O)C4)c3)cc2)CC1,TZCZVPOFVDILSZ-UHFFFAOYSA-N
-rxn:4:203902:225377,COc1c(Cl)cc(C(=O)N2CCN(C)CC2)cc1-c1ccc(OC(F)F)c(C(F)(F)F)c1,CSBRNALVLUYKQO-UHFFFAOYSA-N
-rxn:4:203915:225665,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)cc2N2CCCCC2)C1,FGLDAXJOVNFPDF-UHFFFAOYSA-N
-rxn:4:203926:223980,CCN1CCN(c2cc(OC)cc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,JNPHVCVPHNBAFU-UHFFFAOYSA-N
-rxn:4:203964:223994,CC(=O)N(C)C1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)c2)CC1,ZEFLQYOIYWDULG-UHFFFAOYSA-N
-rxn:4:204014:224751,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(F)c(C(=O)N4CCOCC4)c3)c2)CC1,PRTJWWSJNOJWDW-UHFFFAOYSA-N
-rxn:4:204049:223755,COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,XPYNULXYJZNZIO-UHFFFAOYSA-N
-rxn:4:204069:222798,Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C)ccc1C(=O)N1CCC(N(C)C)CC1,DSIWTQGHXTYUKN-UHFFFAOYSA-N
-rxn:4:204070:224248,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1,ZTPJLQWTJDWDQR-UHFFFAOYSA-N
-rxn:4:204078:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(C)cc5)C4)cc3)c(F)c2)CC1,IMIUPDFJVLSKAP-UHFFFAOYSA-N
-rxn:4:204082:224387,Cc1cn(-c2ccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)c(C(F)(F)F)c2)cn1,HQNZZUFUXHSDNU-UHFFFAOYSA-N
-rxn:4:204101:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)c(Cl)c1,IVFXJYLFXDVASE-UHFFFAOYSA-N
-rxn:4:204107:222638,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)=NC2(C)C)cc1,JNZOGQNZFJAYPE-UHFFFAOYSA-N
-rxn:4:204109:223565,CN(C)c1ccc(-c2cnc(-c3ccc(-c4ccccc4S(=O)(=O)N4CCC(N5C(=O)COCC5=O)CC4)cc3)o2)cc1,ICBLNYCKKNHFGJ-UHFFFAOYSA-N
-rxn:4:204111:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3ccc(C=C4SC(=S)N(N5CCOCC5)C4=O)o3)cc2)c1,QAGQUVVGPKDWMG-UHFFFAOYSA-N
-rxn:4:204114:223106,O=C(c1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)o1)N1CCCN(C2CCSCC2)CC1,NANYVHHATXTBIZ-UHFFFAOYSA-N
-rxn:4:204116:224672,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c(Cl)c2)CC1,KXXYKOPLXOCDOK-UHFFFAOYSA-N
-rxn:4:204121:222456,O=C(Nc1cccc(-c2ccc(Cl)c(C(=O)N3CCCN(C4CCOC4)CC3)c2)c1)c1ccc(C(F)(F)F)cc1,ZHACBOPYINCXTG-UHFFFAOYSA-N
-rxn:4:204122:222718,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)nc2)cc1,JMEHNYUQFWXDFX-UHFFFAOYSA-N
-rxn:4:204128:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC45CCCC5)cc3)cc2F)CC1,SQKVQPMYAVNGFZ-UHFFFAOYSA-N
-rxn:4:204129:222684,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)=NC12CCCC2,VGSMRGIFPNATMF-UHFFFAOYSA-N
-rxn:4:204135:226485,COCCOc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1Cl,ADACFKMSPABLFG-UHFFFAOYSA-N
-rxn:4:204157:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1,PYGLJSPYYJSVSJ-UHFFFAOYSA-N
-rxn:4:204160:225233,Cc1cc(-c2cnc(Cl)c(N3CCCC(C)C3)c2)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,WKKRQQGPNHXRMA-UHFFFAOYSA-N
-rxn:4:204164:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)c1,CBQZZOFXLODTRH-UHFFFAOYSA-N
-rxn:4:204175:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5=NC6(CCCCCC6)N(C(=O)c6ccccc6)C5=S)cc4)c3)cccc12,CSGUSVUJFZEWPI-UHFFFAOYSA-N
-rxn:4:204179:223061,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(C5CCNCC5)ncc4F)cc3C)CC2)cc1C,BRYJOPFNKLOOHQ-UHFFFAOYSA-N
-rxn:4:204180:225990,CCCCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c(C)cc1C,PQXRXNAWYPFTAP-UHFFFAOYSA-N
-rxn:4:204181:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(c5ccc(C)cc5C)CC4)cc3C)cc2)CC1,USPXYSPSVXOXGV-UHFFFAOYSA-N
-rxn:4:204350:222538,COCn1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12COCC1O2,AGMWUVPQUFJHET-UHFFFAOYSA-N
-rxn:4:204426:222615,CC(C)Cc1cc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)N(C)C)cc(C2CCNCC2)c1,UVZUBZGHJWSRNO-UHFFFAOYSA-N
-rxn:4:204551:224064,COC(=O)C1C2CCC1CN(c1nc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)cs1)C2,HTFNYAPNXKJPCX-UHFFFAOYSA-N
-rxn:4:204605:223652,COc1ccc(Cl)c2cc(-c3cnc4c(c3)C(C)CN4C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c12,UFFYHEMEDSDAPQ-UHFFFAOYSA-N
-rxn:4:204643:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3C4CCC3CC(SC)C4)c2)cc1OCC,UFKWHBSAGHTNEY-UHFFFAOYSA-N
-rxn:4:204681:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,ICPJOBKBEZKGRF-UHFFFAOYSA-N
-rxn:4:204683:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,DWEWFLIUIBSSEW-QGZVFWFLSA-N
-rxn:4:204683:222866,CC(C)(C)OC(=O)Nc1cccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,BXVGDABDAOROSS-UHFFFAOYSA-N
-rxn:4:204683:224936,CC(C)(C)OC(=O)Cc1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,KZQACNALLIXXKU-UHFFFAOYSA-N
-rxn:4:204690:223239,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cncc(C5CCCN5)c4)cc32)SC1=S,HBPOLLPZBQCLJU-UHFFFAOYSA-N
-rxn:4:204735:222394,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)c3ccccc23)CC1,CXRYTZYHNNVQMI-RQNOJGIXSA-N
-rxn:4:204739:226844,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,XRTKFRRIHBTBOD-UHFFFAOYSA-N
-rxn:4:204764:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)cc3)cc2)CC1,ZEOFBLPVXIMMOP-UHFFFAOYSA-N
-rxn:4:204764:226547,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)ccc1OC,RNZVSBISSFGKKA-UHFFFAOYSA-N
-rxn:4:204781:227526,COC(=O)c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1Cl,WAGXUXTVSXCJMP-UHFFFAOYSA-N
-rxn:4:204797:224396,Cc1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1S(=O)(=O)N1CCOCC1,ZKLWCMFQDBLWSY-UHFFFAOYSA-N
-rxn:4:204799:224612,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,UZMNJEWLUKRQLQ-UHFFFAOYSA-N
-rxn:4:204819:223753,Cc1ccc(-c2cccc(CN3C(=O)N(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc43)c2)cc1OCCCN1CCN(C)CC1,BYXIMEQNCXKEGF-UHFFFAOYSA-N
-rxn:4:204829:225830,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(N2CCCCC2)nc1C,DROFGANWIIFAAD-UHFFFAOYSA-N
-rxn:4:204829:225833,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(N2CCCCC2)c1F,ZDMVZXFARMDUAN-UHFFFAOYSA-N
-rxn:4:204831:225828,O=C(C1=CN(c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,WJGKBCZJFYDRSO-UHFFFAOYSA-N
-rxn:4:204831:225829,CC1CCN(c2ncc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)cc3)cn2)CC1,UVIPBQBTTYWIEL-UHFFFAOYSA-N
-rxn:4:204834:225090,CCOCc1cc(OC)c(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)c(OC)c1,ZUNWDOXQUHEHGZ-UHFFFAOYSA-N
-rxn:4:204835:225828,O=C(C1=CN(c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,NRYSZHJAGREDJY-UHFFFAOYSA-N
-rxn:4:204836:225828,O=C(C1=CN(c2cccc(-c3cnc(N4CCCCCC4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,BHFDITCQVPQRIO-UHFFFAOYSA-N
-rxn:4:204845:223815,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc3F)C3CS(=O)(=O)CC32)c1,IHCFSCLKZLAMIJ-UHFFFAOYSA-N
-rxn:4:204848:223895,CCN1CCN(CCOc2ccc(-c3cccc(CN4C(=O)N(c5ccc(C)c(C)c5)S(=O)(=O)c5ccccc54)c3)cc2)CC1,GHUJJFJBYJVGDS-UHFFFAOYSA-N
-rxn:4:204864:222638,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,AFBJBAIJCRXVBL-UHFFFAOYSA-N
-rxn:4:204865:225828,CC1CCN(C(=O)C2=CN(c3cccc(-c4cnc(N5CCCCCC5)nc4)c3)c3ccccc3S2(=O)=O)CC1,MRYZUTCKGLTNBD-UHFFFAOYSA-N
-rxn:4:204866:224612,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)c3ccccc3S2(=O)=O)CC1,QOXJACFKUAYXGU-UHFFFAOYSA-N
-rxn:4:204867:223157,CCNC(=O)c1cc(F)cc(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccc(Cl)cc43)c2)c1,KFNKXUYZLKRUNR-UHFFFAOYSA-N
-rxn:4:204869:222684,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BFTLMHHLALDSPR-UHFFFAOYSA-N
-rxn:4:204870:224808,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cnn(-c2cccc(C(F)(F)F)c2)c1,ANGBSXNZRHWILM-UHFFFAOYSA-N
-rxn:4:204875:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,HWJMDEUCFPUJKL-UHFFFAOYSA-N
-rxn:4:204945:222684,Cc1cccc(N2C(=S)N(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)C3CC2(C)Oc2ccccc23)c1,PGWIOVVRUWJRLK-UHFFFAOYSA-N
-rxn:4:204945:224328,Cc1cccc(N2C(=S)N(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)o3)C3CC2(C)Oc2ccccc23)c1,UQFRVAMSPNLMJF-UHFFFAOYSA-N
-rxn:4:205382:223755,CC1CCN(CCCOc2ccc(-c3cc(S(N)(=O)=O)cc([N+](=O)[O-])c3F)cc2F)CC1,KIONGROPQOKYRL-UHFFFAOYSA-N
-rxn:4:206333:223698,O=[N+]([O-])c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc(N2CCCC2)c1,ZUPJXEXGCGRSJT-UHFFFAOYSA-N
-rxn:4:206444:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)c(Cl)c2)CC1,GBMOIFVYAFAUBK-UHFFFAOYSA-N
-rxn:4:206644:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(C#N)ccc3N3CCC(F)(F)CC3)c2)C1,LZAFWNWWFMMIEN-UHFFFAOYSA-N
-rxn:4:206819:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4C(=O)C(=Cc5ccccn5)SC4=S)c3)c(F)cc2C)CC1,GXLXOXVXRBBLEX-UHFFFAOYSA-N
-rxn:4:206843:224015,Cc1cc(F)c(-c2cncc(C(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,ADPXLPJOTUAXAL-UHFFFAOYSA-N
-rxn:4:206854:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCCC(C)C4)c(C#N)c3)cc2)CC1,QUTXTBJKGWBAGF-UHFFFAOYSA-N
-rxn:4:206945:223830,CCN1CCN(S(=O)(=O)c2cc(-c3sc(C4CCCN(S(C)(=O)=O)C4)nc3C)ccc2C)CC1,UWKMYXXMARDXII-UHFFFAOYSA-N
-rxn:4:206946:222694,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)n2)C1,VUPYWTGYAPSKCN-UHFFFAOYSA-N
-rxn:4:206948:223895,CCN1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)n3)cc2)CC1,GCYHEZZRHMRFRC-UHFFFAOYSA-N
-rxn:4:206953:222684,CN(C)C=C1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1=O,SJLGTGOHAILYFZ-UHFFFAOYSA-N
-rxn:4:206953:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCC(=CN(C)C)C2=O)cc1,SADBHYFIYKXEPG-UHFFFAOYSA-N
-rxn:4:206955:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,RAQJDUMTJZCAIX-UHFFFAOYSA-N
-rxn:4:206962:222522,COc1ccc(-c2ccc(C3CCCN(S(C)(=O)=O)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,WBVZOPGHLBWSJJ-UHFFFAOYSA-N
-rxn:4:206980:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(F)c(S(=O)(=O)N2CCN(C)CC2)c1,LRMNISLPTAXMGG-UHFFFAOYSA-N
-rxn:4:206984:224680,CC1CCCN(c2cc(C(F)(F)F)c(-c3cc(C(=O)N4CCCCC4)ccc3F)cn2)C1,XAUHXRZRSCNTGM-UHFFFAOYSA-N
-rxn:4:207007:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2)cc1,NNZMPLNJXGPACH-UHFFFAOYSA-N
-rxn:4:207022:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C)c(F)c1C(=O)N1CCN(C)CC1,QDVBVTSINGHFQC-UHFFFAOYSA-N
-rxn:4:207042:223896,COc1cccc(-c2ccc(C3CCN(C(C)C)CC3)nc2)c1C(=O)N(C(C)C)C(C)C,UURKJVQSJJNOIA-UHFFFAOYSA-N
-rxn:4:207056:224810,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cnc(N3CCCC3)c(C(F)(F)F)c2)CC1,JORXODNKWXDUPB-UHFFFAOYSA-N
-rxn:4:207057:224810,Cc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,RLGBWFDBFHOSJW-UHFFFAOYSA-N
-rxn:4:207058:224377,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,HADTXXJXLBCNDZ-UHFFFAOYSA-N
-rxn:4:207058:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DPBITDPJDVXGAR-UHFFFAOYSA-N
-rxn:4:207059:224810,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,RJRFJQBEFAQFRZ-UHFFFAOYSA-N
-rxn:4:207080:222862,CCCCNC(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)cc1F,XWDOHDPTAAWJAV-UHFFFAOYSA-N
-rxn:4:207085:224810,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,MHPSBWQEGGCJLJ-UHFFFAOYSA-N
-rxn:4:207402:223491,CCCc1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c2ccccc2n1,POEWIVYRVXCPKK-UHFFFAOYSA-N
-rxn:4:207442:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(N4CC5CC5C4)c([N+](=O)[O-])c3)cc2)CC1,YOKPGHKTXXDMTQ-UHFFFAOYSA-N
-rxn:4:207447:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3CC2CS3)c1,MAQRXCMDQLCUOQ-UHFFFAOYSA-N
-rxn:4:207514:223539,COc1ccc(-c2cncc(CN3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NZLICHUMVJMKKC-UHFFFAOYSA-N
-rxn:4:207617:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(N4C=C(C#N)S(=O)(=O)c5ccc(F)cc54)c3)cnc2C1,QQDVJAMGYVZNEZ-UHFFFAOYSA-N
-rxn:4:207769:223037,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(Cl)c(C(=O)NC4CC4)c3)ccc21,ZNMRRJFSJWLXCW-UHFFFAOYSA-N
-rxn:4:207779:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,QSMGREAJVXWYCG-UHFFFAOYSA-N
-rxn:4:207795:223993,Cc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1S(=O)(=O)N1CCN(C)CC1,LKYUTUOYSCANNN-UHFFFAOYSA-N
-rxn:4:207826:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4C(=O)N(c5ccccc5Cl)C5CS(=O)(=O)CC54)cc3)cc2F)CC1,WJLISILHLPWYAK-UHFFFAOYSA-N
-rxn:4:207830:222896,CN1C(=O)C(=C2SC(=O)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc21,XSCCPXPOBNEFLW-UHFFFAOYSA-N
-rxn:4:207831:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4nc5sccn5c4C=C4C(=O)OC(C)(C)OC4=O)cc3)c(F)c2)CC1,IAHJREPCGGYERZ-UHFFFAOYSA-N
-rxn:4:207832:222424,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)C2=O)c2ccccc21,KEQLSUKSKOANFL-UHFFFAOYSA-N
-rxn:4:207843:224424,CCCC1CCC(c2ccc(-c3ccc4c(c3)CCCC4N3CCN(CC)CC3)cc2)CC1,NCNLBXWPOBLUPY-UHFFFAOYSA-N
-rxn:4:207847:225003,COc1cc(N2CCCCC2)ccc1-c1cccc(N2C(=O)N(c3ccc(C)cc3)C3CS(=O)(=O)CC32)c1,FYLGFQYRVJQLRS-UHFFFAOYSA-N
-rxn:4:207946:224426,COc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VSZGKFRGOOLSSG-UHFFFAOYSA-N
-rxn:4:207959:225209,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5C)nc4C)ccc2OC3C2CCCCC2)cc1,SFPCBZZMZUZAAK-UHFFFAOYSA-N
-rxn:4:208756:223493,CCc1nc(C)cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)n1,UGHPBRFWQQSKOX-UHFFFAOYSA-N
-rxn:4:209526:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3COCCC3=O)nn2)CC1,OQVXIANOLFNIQO-UHFFFAOYSA-N
-rxn:4:209798:223493,Cc1cc(C2CCOCC2)nc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)n1,UQSMUQHIGVVUOO-UHFFFAOYSA-N
-rxn:4:210995:223606,CC1Oc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2CN(c2nccs2)C1=O,VKOGHAKCWLCIGG-UHFFFAOYSA-N
-rxn:4:210995:223696,CC1Oc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2CN(c2nccs2)C1=O,DNUSLDPOHAYUKR-UHFFFAOYSA-N
-rxn:4:212419:223505,CN1Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2N(C)S1(=O)=O,HEXGCDCMIANRIT-UHFFFAOYSA-N
-rxn:4:212523:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)o2)s1,IVLXZWUPMKMFQM-UHFFFAOYSA-N
-rxn:4:212558:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3)cc2)s1,MQLSUZGKFCUCTH-UHFFFAOYSA-N
-rxn:4:212562:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)c1,VWCNSTYJFPACBI-UHFFFAOYSA-N
-rxn:4:212564:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cccc(C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)c2)ccn1,AXIWWBUPFOCYKX-UHFFFAOYSA-N
-rxn:4:212568:222633,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,LZYQADNQQQTUBP-UHFFFAOYSA-N
-rxn:4:212578:222616,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cn2)C1,PWGOXEBLEUFNMD-UHFFFAOYSA-N
-rxn:4:212581:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,YPDBPMJOYUGLPP-UHFFFAOYSA-N
-rxn:4:212582:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)s1,LWHDUTUXLBFOMQ-UHFFFAOYSA-N
-rxn:4:212583:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)c1,ZGMWUFSEOQEYOH-UHFFFAOYSA-N
-rxn:4:212583:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)s1,FGKZSMRMEWHNJF-UHFFFAOYSA-N
-rxn:4:212610:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cnc(SCC(=O)N5CCCC5)n4CC)cc3)c2)CC1,UZNYJQQKULUJBR-UHFFFAOYSA-N
-rxn:4:212614:222633,COC(=O)c1cn(Cc2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)nc1S(=O)(=O)N1CCCC1,SEDLKPYRILKORX-UHFFFAOYSA-N
-rxn:4:212615:222633,O=C(NCCN1CCCC1)c1ccc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1,CFQOGOJMKBHJIJ-UHFFFAOYSA-N
-rxn:4:212626:222633,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)c1,JCXPSVPISNTORE-UHFFFAOYSA-N
-rxn:4:212627:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(COc4cc(C#N)ccn4)C3)cc2)CC1,MWSXRJXKRSFCCO-UHFFFAOYSA-N
-rxn:4:212628:222633,O=C(NCCN1CCCC1)c1ccc(-c2cnc(OC3CCCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)cc1,KHTPCHJMFQKFJX-UHFFFAOYSA-N
-rxn:4:212630:226524,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c(F)c1,CUGASLXUMLLPLJ-UHFFFAOYSA-N
-rxn:4:212649:224772,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,LCHFBBGSNVTBMT-UHFFFAOYSA-N
-rxn:4:212659:223694,CCOc1ccc(CN2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCN(CC)CC5)c(C)cc4F)cn3)CC2)cc1,BSPCEPUUTSFHRQ-UHFFFAOYSA-N
-rxn:4:212665:222638,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cn2)C1,IFSIOXCSSUXRNQ-UHFFFAOYSA-N
-rxn:4:212667:222630,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,VSNHCNRAXAPWFL-UHFFFAOYSA-N
-rxn:4:212667:225047,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(C)CC5)c(C)c4)cn3)C2)cc1,IAQBHBLWBPKYFK-UHFFFAOYSA-N
-rxn:4:212674:222633,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,QCGCEPJDTBRZJD-UHFFFAOYSA-N
-rxn:4:212677:222633,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)nn1,OZIIFJTXENZJEV-UHFFFAOYSA-N
-rxn:4:212683:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(Cl)cc3)cc2)c1,RNXTVNRTIUNUNX-UHFFFAOYSA-N
-rxn:4:212684:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cnc(SCC(=O)N5CCCC5)n4-c4ccc(F)cc4)cc3)c2)CC1,IVEHAWHRCHHGFT-UHFFFAOYSA-N
-rxn:4:212696:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)cc1,IQJSIALEKQQKBV-UHFFFAOYSA-N
-rxn:4:212709:225336,CCOC(=O)c1c(-c2ccc(COCC(F)(F)F)cc2F)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,HXHOROUUGUUJCI-UHFFFAOYSA-N
-rxn:4:212714:222632,Cc1ccccc1-n1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,GJIBCUAEAKXYEY-UHFFFAOYSA-N
-rxn:4:212725:222583,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)nn1,HOWZEENSPCAGKC-UHFFFAOYSA-N
-rxn:4:212736:223239,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CCCN4)c3)cc2N2CCCC2)CC1,UVFSLYOKFWSYNG-UHFFFAOYSA-N
-rxn:4:212741:222632,CC1CN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,AUJGOBDWRPSTSE-UHFFFAOYSA-N
-rxn:4:212743:222633,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)CC1,RFNANYYVLNRVJA-UHFFFAOYSA-N
-rxn:4:212745:223279,CC1CN(c2cc(CN3CCOCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,VVDAHKMOQCMNAY-UHFFFAOYSA-N
-rxn:4:212750:222540,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1N1CCCCC1,HKOXXZVPHHYWBN-UHFFFAOYSA-N
-rxn:4:212756:222633,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc21,SDIJDGDTRLCZTL-UHFFFAOYSA-N
-rxn:4:212761:222540,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,KICORMPODRUZDI-UHFFFAOYSA-N
-rxn:4:212764:223570,COC(=O)CSc1nnc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)n1-c1ccc(C2CC2)c2ccccc12,PGSLZEFUMTYHHC-UHFFFAOYSA-N
-rxn:4:212766:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3C(=O)N=c3sc4cc([N+](=O)[O-])ccc4n3CCOC)c2)CC1,UECPBRWSYFCJIO-UHFFFAOYSA-N
-rxn:4:212767:222633,COCCn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)s2)sc2cc(S(N)(=O)=O)ccc21,SXLXZAKLDIKIBR-UHFFFAOYSA-N
-rxn:4:212771:222947,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2s1,VPGBUDWDXIENJR-UHFFFAOYSA-N
-rxn:4:212780:222633,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)sc2cc(S(N)(=O)=O)ccc21,RCZCAKXSXYWRJQ-UHFFFAOYSA-N
-rxn:4:212801:225160,CCOC(=O)Cn1c(C2CC(=O)N(c3ccccc3-c3ccc(Cl)c(C(=O)N4CCCC4)c3)C2)nc2ccccc21,WKTARQWMKGMRMI-UHFFFAOYSA-N
-rxn:4:212808:226844,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc3ccccn3c2=O)SC1=S,JBJDDOMWSNLBRU-UHFFFAOYSA-N
-rxn:4:212809:222633,Cn1c(=NC(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc21,XOEKCTHFVXUPMC-UHFFFAOYSA-N
-rxn:4:212809:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCc4ccccc42)n3C)c1,CRFYCKUVUQPTIF-UHFFFAOYSA-N
-rxn:4:212814:223510,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C1(C)C,UZTCCPGVOMRIPE-UHFFFAOYSA-N
-rxn:4:212816:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)cc1,URXDKHKQETXOPM-UHFFFAOYSA-N
-rxn:4:212823:222633,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCCN6CCCC6)cc5)ccc43)CC2)cc1,CIOIFRCIGMRHFJ-UHFFFAOYSA-N
-rxn:4:212829:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c2ccccc12,NSFWCGORRRFSCE-UHFFFAOYSA-N
-rxn:4:212833:225977,Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccccc3-c3cc(Cl)cnc3N3CCOCC3)nc2c1,QFWXHZICISWPFI-UHFFFAOYSA-N
-rxn:4:212839:223057,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(Cl)nc(C5CCCNC5)c4)ccn23)CC1,HKXZBDZTAKJAGT-UHFFFAOYSA-N
-rxn:4:212839:223279,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCCN5)nc4)ccn23)CC1,XBZWCZSXLWYQCD-UHFFFAOYSA-N
-rxn:4:212840:222540,Cc1ccc(C2CC(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)=NN2C(=O)CSc2cn(C)c3ccccc23)cc1,CJQSEALSEDZIBK-UHFFFAOYSA-N
-rxn:4:212845:222633,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)c4)n(Cc4ccco4)c(=O)c23)C1,ZXHORKYCSVUPJI-UHFFFAOYSA-N
-rxn:4:212846:224612,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)n(Cc4ccco4)c(=O)c23)C1,VLOGVCJOJQKUQQ-UHFFFAOYSA-N
-rxn:4:212905:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,WGBWNTPSLIKYLV-UHFFFAOYSA-N
-rxn:4:212927:223755,CC1CCN(CCCOc2ccc(-c3ccc(OCc4nc(C#N)c(N5CCOCC5)o4)cc3)cc2F)CC1,PCFGLACAPIKXOK-UHFFFAOYSA-N
-rxn:4:212939:222867,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1,RENJXBZIACSDBD-UHFFFAOYSA-N
-rxn:4:212948:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccnc3)cc2)c(C(F)(F)F)c1,QVIOFISHSVHGPJ-UHFFFAOYSA-N
-rxn:4:212964:223508,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,QDRITZVSXQHUML-UHFFFAOYSA-N
-rxn:4:212968:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)cc1OCCCN1CCN(C)CC1,FPWVUJXNJJXELO-UHFFFAOYSA-N
-rxn:4:212973:226088,CCN(CC)Cc1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cc1,ZWKCBXGVICHCLY-UHFFFAOYSA-N
-rxn:4:212989:222502,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)s2)CC1,BHAQPDHMFWLAJI-UHFFFAOYSA-N
-rxn:4:212989:222506,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)s2)CC1,DKEZEWXEFPHMPG-UHFFFAOYSA-N
-rxn:4:212989:222589,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)s2)CC1,GDIPJBVIVLJXPG-UHFFFAOYSA-N
-rxn:4:212989:223520,CC(c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BPWYTLMQQLJSAC-UHFFFAOYSA-N
-rxn:4:212989:223556,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)s2)CC1,DQJKOARJDAPMKN-UHFFFAOYSA-N
-rxn:4:212989:225156,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C(=O)N4CCCC4)ccc3F)s2)CC1,GDKSAPLEAHDZOT-UHFFFAOYSA-N
-rxn:4:212989:227694,COC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc(Cl)n1,IZAQSQIBVKFLPC-UHFFFAOYSA-N
-rxn:4:213010:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2C1,QXGHSGWQFLNMMN-QHCPKHFHSA-N
-rxn:4:213011:222634,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YTOODIBJBHURDB-UHFFFAOYSA-N
-rxn:4:213016:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(CSc5nccn5C)CC4)o3)cc2)CC1,MLCYQUJXURWCPD-UHFFFAOYSA-N
-rxn:4:213057:222540,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)C2)c1F,XUMAJHYCWYVSPC-UHFFFAOYSA-N
-rxn:4:213058:224751,O=C(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cn2)C1,FGVAZPLPTWCYBE-UHFFFAOYSA-N
-rxn:4:213061:222633,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,UQKCUFHHGAFUFO-UHFFFAOYSA-N
-rxn:4:213075:224672,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)n3)c(Cl)c2)CC1,PAWAFMHNEAXJDS-UHFFFAOYSA-N
-rxn:4:213091:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CCC(COc4cnccn4)CC3)cc2)cc1,RXEKYJWTRKYTAQ-UHFFFAOYSA-N
-rxn:4:213097:225982,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(N4CCOCC4)cc3F)cn2)CC1,HAJOHLIRBGMKFX-UHFFFAOYSA-N
-rxn:4:213101:224737,CC(C)COc1ccc(-c2ccc(C(=O)N3CC(Cn4nc(C5CC5)ccc4=O)C3)cc2)c(C(F)(F)F)c1,PKYADVUTUMIMBE-UHFFFAOYSA-N
-rxn:4:213131:226437,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(C4CCCC4)ncc3F)cn2)CC1,PJSSNFJDGBUAMD-UHFFFAOYSA-N
-rxn:4:213134:225898,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,MBZTZXCOPAJVFF-UHFFFAOYSA-N
-rxn:4:213135:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1C,IMNPMMFAXAZKRJ-UHFFFAOYSA-N
-rxn:4:213143:228347,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC4)nc3)ccc2[N+](=O)[O-])CC1,RMGDZKXKKRLVAA-UHFFFAOYSA-N
-rxn:4:213144:224891,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(N3CCCC3)ccc2C2CC2)CC1,VZRZGIXQTKCKIJ-UHFFFAOYSA-N
-rxn:4:213145:222633,Cn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,KBELQBFHBUGXEX-UHFFFAOYSA-N
-rxn:4:213145:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCCCC5)n4C)cc3)c(F)c2)CC1,YONPTEMNWNAHEI-UHFFFAOYSA-N
-rxn:4:213168:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCC(C)CC5)nn4)cc3)cc2)CC1,OPIIXXIQDOQWAT-UHFFFAOYSA-N
-rxn:4:213177:222638,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)c3)C2)n1,ABOLZDJWCNHZSH-UHFFFAOYSA-N
-rxn:4:213181:222684,Cc1cccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)c1,KBRGRYKZKSOFDQ-UHFFFAOYSA-N
-rxn:4:213195:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,DJEZTEIGPCJVIH-UHFFFAOYSA-N
-rxn:4:213201:222540,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)ncn1,HJUJGMAHLWBCLG-UHFFFAOYSA-N
-rxn:4:213202:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2)nn1,PDICWCPMBAVIGJ-UHFFFAOYSA-N
-rxn:4:213203:222693,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3)CC2)nn1,BCNLRFBEBZIITL-UHFFFAOYSA-N
-rxn:4:213213:223525,CN(c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,JCRMPVLNMHVMDS-UHFFFAOYSA-N
-rxn:4:213217:222424,CCN1CCN(c2ncc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2C(=O)OC(C)(C)C)CC1,AVRPXFPKSKTWJM-UHFFFAOYSA-N
-rxn:4:213222:225898,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnn(CCN5CCOCC5)c4)o3)CC2)n1,CTWBOLOIUUSUEG-UHFFFAOYSA-N
-rxn:4:213236:223054,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)C2)cc1C,FPSYNLJPOYDDEQ-UHFFFAOYSA-N
-rxn:4:213241:222633,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)c(C)c1S(=O)(=O)N(C)c1ccccc1,OKTCJHAIBWDDNM-UHFFFAOYSA-N
-rxn:4:213242:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1,HHPIIYYGDCRVSU-UHFFFAOYSA-N
-rxn:4:213243:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1,SYHNYXKCDZUSJT-UHFFFAOYSA-N
-rxn:4:213243:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1,BXCTVRFDNQCWLI-UHFFFAOYSA-N
-rxn:4:213262:222633,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)cc1,ITBAZXFLDBYGAT-UHFFFAOYSA-N
-rxn:4:213264:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CC(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,RSDUYVRRYZGMJN-UHFFFAOYSA-N
-rxn:4:213265:223031,CCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)c(OC)c1,TVMZGOKDZWNWBP-UHFFFAOYSA-N
-rxn:4:213268:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc(-c4c[nH]c([C@@H]5C[C@H](C)CN5C(=O)OC(C)(C)C)n4)cc3)c2)cc1,DORVYYVNDMRFOP-CHJDUVSTSA-N
-rxn:4:213268:222758,Cc1cc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)ccc1NC(=O)OC(C)(C)C,WDMPEBREWAUUNQ-SIBVEZHUSA-N
-rxn:4:213272:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1,HMEVUBJCDBJFPA-UHFFFAOYSA-N
-rxn:4:213285:222633,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C2)c1,SXBPMHCGGJJHCW-UHFFFAOYSA-N
-rxn:4:213285:224198,CCN1CCN(Cc2ccc(-c3ccc(C4CC(c5cccc(OC)c5)=NN4c4ccc(S(N)(=O)=O)cc4)cc3)c(F)c2)CC1,NHVNHXQNTUNUAC-UHFFFAOYSA-N
-rxn:4:213285:224612,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)C2)c1,RGWLYCABPGIPLC-UHFFFAOYSA-N
-rxn:4:213302:222583,C#CCn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)s2)sc2cc([N+](=O)[O-])ccc21,NSSKXTDOQOMBRX-UHFFFAOYSA-N
-rxn:4:213351:223755,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc2F)CC1,MOBSEYFSRFQAJV-UHFFFAOYSA-N
-rxn:4:213355:222540,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3nn2C)C1,HEPUNKRCWVZNMF-UHFFFAOYSA-N
-rxn:4:213361:222684,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,UFQWXDJLRMXZNZ-UHFFFAOYSA-N
-rxn:4:213361:225723,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3ccc(OCCN(C)C)c(Cl)c3)ccc21,IROSZEMYZROHSP-UHFFFAOYSA-N
-rxn:4:213368:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1cccn1)C2,FUWLIGHZFBXTOD-UHFFFAOYSA-N
-rxn:4:213381:222638,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5cccc(C(C)NC(=O)OC(C)(C)C)c5)cc4)cc3s2)CC1,BYHILCXRHCSBNP-UHFFFAOYSA-N
-rxn:4:213381:224398,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4)cc3s2)CC1,ZZXOHXMFKJXSBJ-UHFFFAOYSA-N
-rxn:4:213398:222583,CN(C)CCCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)nc(=S)c2c1CCCC2,XMCRFOAWKYYTJD-UHFFFAOYSA-N
-rxn:4:213398:222633,CN(C)CCCn1c(-c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)nc(=S)c2c1CCCC2,CHFLJDCMTNEBFT-UHFFFAOYSA-N
-rxn:4:213406:222424,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3s2)CC1,WHWVPEWUURKYJR-UHFFFAOYSA-N
-rxn:4:213406:225914,CCOc1cc(-c2ccc3nc(N4CCN(C(=O)c5ccccc5S(=O)(=O)CC)CC4)sc3c2)cc(C(F)(F)F)c1,UJPNGLPEALUEKV-UHFFFAOYSA-N
-rxn:4:213407:222633,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4s3)CC2)cc1,ADPDEAFRLHAJRC-UHFFFAOYSA-N
-rxn:4:213412:224049,CCc1cc(OCc2ccccc2)ccc1-c1ccc2c(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)n(C)nc2c1,WGWPGJZQAYOQGL-UHFFFAOYSA-N
-rxn:4:213424:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,OMYCCEKOELNCKE-UHFFFAOYSA-N
-rxn:4:213459:223557,COC(=O)CC[C@@H]1C=C(c2ccccn2)c2cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2-n2c(C)cnc21,AWMOPAROPPAVLY-GDLZYMKVSA-N
-rxn:4:213470:222540,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)n(-c4ccccc4)c(=O)c23)C1,JOCOJRCEZFNOSN-UHFFFAOYSA-N
-rxn:4:213480:222724,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PAMYNLMULLDOIS-UCKIBBKRSA-N
-rxn:4:213480:224759,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GCFNDCJWLNSPJS-SIGULORKSA-N
-rxn:4:213604:222585,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,BHNYBXKOLPMRKI-UHFFFAOYSA-N
-rxn:4:213615:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccncn4)C3)o2)cc1OCCCN1CCN(C)CC1,JLYXJAJPXUWUJA-UHFFFAOYSA-N
-rxn:4:213653:226500,CC(C)COc1ncc(Cl)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,WOKXEYAKLJRNJA-UHFFFAOYSA-N
-rxn:4:213658:222901,CCCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cc1,ZAZWQLZPMCIGSK-UHFFFAOYSA-N
-rxn:4:213705:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(Oc5ccncc5Cl)C4)c3)cc2)CC1,YVUARTRFLZHGBK-UHFFFAOYSA-N
-rxn:4:213717:224606,CCCOc1cc(-c2cnc(CCC3CCCCN3C(C)=O)cn2)cc(Cl)c1OC(C)C,LZAIJYXFMIHTES-UHFFFAOYSA-N
-rxn:4:213737:222612,O=S(=O)(c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncn4)C3)cc2)c1)N1CCC(O)CC1,XXAVFKXXIDEQIE-UHFFFAOYSA-N
-rxn:4:213755:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,HKORNTFBQHLSRT-UHFFFAOYSA-N
-rxn:4:213765:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,DFUXGQZFFAOJOD-UHFFFAOYSA-N
-rxn:4:213790:223753,Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1OCCCN1CCN(C)CC1,IFLBDCPUVYXLIH-UHFFFAOYSA-N
-rxn:4:213798:224336,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)C1,BJEFWBBSXCJPLV-UHFFFAOYSA-N
-rxn:4:213798:225975,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,JBFCPIVJPPBRGC-UHFFFAOYSA-N
-rxn:4:213802:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccnc4OC4CCN(S(=O)(=O)N(C)C)CC4)c3)cccc12,REGQHUCKYJGTNS-UHFFFAOYSA-N
-rxn:4:213803:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,BPLZLLWKBNVVIC-UHFFFAOYSA-N
-rxn:4:213804:223712,COc1ccc(-c2ccc(-n3cc(OCC4CCCCC4)cn3)nc2)cc1C12CC3CC(CC(C3)C1)C2,LWKRMRODQLYCBT-UHFFFAOYSA-N
-rxn:4:213812:222702,Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)o3)CC2)nn1,KRYJRUMFDHYOGK-UHFFFAOYSA-N
-rxn:4:213839:222546,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,NMCMBWDVMCPMCS-UHFFFAOYSA-N
-rxn:4:213839:222634,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,RYDYRUIVCYWBKA-UHFFFAOYSA-N
-rxn:4:213843:225734,CCCCOc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)cc(Cl)c1F,XJIPNAYDKQVCPW-UHFFFAOYSA-N
-rxn:4:213850:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(Cc5ccccc5)CC4)nc3)cc2F)CC1,ROTOCDAYSKCGGI-UHFFFAOYSA-N
-rxn:4:213852:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCC(Oc5ncc(F)cn5)CC4)cc3)cc2)CC1,VDWGMFOBNJZQHE-UHFFFAOYSA-N
-rxn:4:213860:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cnccn4)CC3)cc2)c1,HDQVIBXSABGZCD-UHFFFAOYSA-N
-rxn:4:213863:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,ZIOJTSUERGULNA-UHFFFAOYSA-N
-rxn:4:213872:222929,OC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cnc2Cl)CC1,BZDUTGISCZCOIQ-UHFFFAOYSA-N
-rxn:4:213880:222584,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,ICXCGTQCKIOCCS-UHFFFAOYSA-N
-rxn:4:213881:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,MIUYGCODLHVOGK-UHFFFAOYSA-N
-rxn:4:213882:224596,COc1cc(N2CCCCC2C)ccc1-c1cnn(CC2CN(CC3CCS(=O)(=O)CC3)C2)c1,GOJQYLNIJLCLIX-UHFFFAOYSA-N
-rxn:4:213894:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,CKUUDOUUEGUVNV-UHFFFAOYSA-N
-rxn:4:213897:222634,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,FNGHKNLOJOVPMJ-UHFFFAOYSA-N
-rxn:4:213906:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,UVSDRKRLEZIWCW-UHFFFAOYSA-N
-rxn:4:213910:223175,CCS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,QJVXBCAODPRWGX-UHFFFAOYSA-N
-rxn:4:213921:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])c1,CEWKBSQIVRVSAV-UHFFFAOYSA-N
-rxn:4:213928:222612,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)C2)n1,DQXUEJBAKWQSCR-UHFFFAOYSA-N
-rxn:4:213938:224324,O=C1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)ccc2F)CC1,IXDBSRSNEUYSKY-UHFFFAOYSA-N
-rxn:4:213946:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,UMRHODDBSOKGGA-UHFFFAOYSA-N
-rxn:4:213947:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,WXQUVIOKJNQGKI-UHFFFAOYSA-N
-rxn:4:213948:225553,CC(C)N(C)C(=O)c1ccc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cc1,UABLEQJQCKFUJA-UHFFFAOYSA-N
-rxn:4:213949:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(C)cc5C)CC4)o3)cc2)CC1,AZWVLANFUTTWRZ-UHFFFAOYSA-N
-rxn:4:213950:225723,CN(C)CCOc1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1Cl,HZHFSDXXOPZESQ-UHFFFAOYSA-N
-rxn:4:213971:227229,CCOc1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1C#N,HWXVBQQAQRULMY-UHFFFAOYSA-N
-rxn:4:213976:223093,CC1CN(c2cccc(-c3cncc(NS(=O)(=O)C(C)C)c3)n2)CCN1C(=O)OC(C)(C)C,RRFPYAVOYFDYDR-UHFFFAOYSA-N
-rxn:4:213976:226844,CC1CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CCN1C(=O)OC(C)(C)C,WBRZNWJTOPWBAF-UHFFFAOYSA-N
-rxn:4:213985:223888,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,JHNSJZOZHQYYBZ-UHFFFAOYSA-N
-rxn:4:213988:223046,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(F)c(C(=O)NC4CC4)c3)cn2)CC1,FSTKMVHYDFDUCN-UHFFFAOYSA-N
-rxn:4:213995:224732,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)n2)CC1,AARZMGUMBFVQLN-UHFFFAOYSA-N
-rxn:4:214002:222583,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,HVWCCEQISYTRJG-UHFFFAOYSA-N
-rxn:4:214011:223755,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,UJDGWVFRGMCUKG-UHFFFAOYSA-N
-rxn:4:214012:222959,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)ccc1C1CCNCC1,ZLSRXXYCBZOWRJ-UHFFFAOYSA-N
-rxn:4:214013:223753,COc1cc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)c3C)CC2=O)ccn1,JFXMKDLQTKLJPP-UHFFFAOYSA-N
-rxn:4:214013:225233,COc1cc(N2CCN(C(=O)c3cccc(-c4cnc(Cl)c(N5CCCC(C)C5)c4)c3C)CC2=O)ccn1,SEOBIHPDHICRFI-UHFFFAOYSA-N
-rxn:4:214019:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccccc2/C(C#N)=C/c2ccc(N3CCN(C)CC3)cc2)c1,DVNLATGEOWAOSO-SGWCAAJKSA-N
-rxn:4:214033:227115,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(F)cc1C1CC1,NDTKTRXXNKMRKL-JWQCQUIFSA-N
-rxn:4:214035:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,MWLAHUNAYQCXQF-UHFFFAOYSA-N
-rxn:4:214037:227464,CCCCSc1ncc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)cn1,DZUUYBOPOLQNNJ-UHFFFAOYSA-N
-rxn:4:214054:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1,GMJBPWXXNJOJCC-UHFFFAOYSA-N
-rxn:4:214056:222424,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)o3)S2)CC1,ZUZPTEVFGYQVMV-UHFFFAOYSA-N
-rxn:4:214056:222638,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)o3)S2)CC1,KVCCBXOIJVSXIF-UHFFFAOYSA-N
-rxn:4:214059:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)cc2F)CC1,XZNXWDCLLMBQSA-UHFFFAOYSA-N
-rxn:4:214062:227710,CCN1CCN(Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2N2CCOCC2)CC1,KWAZESSPQWKPPP-UHFFFAOYSA-N
-rxn:4:214064:228562,CCC(C)c1csc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1,JWNLWCPUBYKKBL-UHFFFAOYSA-N
-rxn:4:214079:226866,CC(C)N1CCN(Cc2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)cc2N2CCCC2)CC1,NKJDVRBOTJDION-UHFFFAOYSA-N
-rxn:4:214080:222540,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)n1,YXRGNBHCGPVSDW-UHFFFAOYSA-N
-rxn:4:214082:224612,CC(C)N1CCN(Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2N2CCOCC2)CC1,XZQJQUNCOZWKRV-UHFFFAOYSA-N
-rxn:4:214085:228788,COc1ccc(Cl)cc1-c1ccc(C=C2N=C(C3CCCCC3)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1,JHZONMFZZKTAPK-UHFFFAOYSA-N
-rxn:4:214153:225217,CC1CCCN(c2cc(F)c(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cn2)C1,ZTRRRMCVDWUBMB-OEMAIJDKSA-N
-rxn:4:214162:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc2[nH]c(C(=O)N3CCN(CC(F)(F)F)CC3)cc2c1,DAUYMXJVZAUCGE-UHFFFAOYSA-N
-rxn:4:214179:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)c1,IMYDYXXZGGWTGV-UHFFFAOYSA-N
-rxn:4:214185:223737,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)c2C1,WBDJNSUXQRLGGD-UHFFFAOYSA-N
-rxn:4:214201:224278,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cn1)C2,CWGWZNICFGLPQC-UHFFFAOYSA-N
-rxn:4:214234:225709,CN(C)CCCOc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cn1,NSEUMNIHDYBSHI-UHFFFAOYSA-N
-rxn:4:214253:222638,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)nc3ccccn3c2=O)SC1=S,QAANKCTVCLYWNS-UHFFFAOYSA-N
-rxn:4:214271:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(=O)N3CCC(Oc4cnc5ccccc5n4)CC3)c2)cc1,VCGVUCXHXSHMLF-UHFFFAOYSA-N
-rxn:4:214294:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C5Cc6ccccc6C5)C4)nc3)cc2F)CC1,CANLGEUUEOFICT-UHFFFAOYSA-N
-rxn:4:214295:224011,COc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,PSUBMKZEPQNUNF-UHFFFAOYSA-N
-rxn:4:214322:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c(F)c2)CC1,MXBQEYJIKMDXRH-UHFFFAOYSA-N
-rxn:4:214628:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4nccs4)C(=O)C3)o2)CC1,XBPWUDFTQIQQIB-UHFFFAOYSA-N
-rxn:4:214630:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cnc21,QWQHARZIUXQSRG-UHFFFAOYSA-N
-rxn:4:214705:222442,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)CC1,IAGQBDSCEIGWJC-UHFFFAOYSA-N
-rxn:4:214707:224254,CC1CCCN(C(=O)c2cc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)ccc2F)C1,CCFFXAJOACWKHH-UHFFFAOYSA-N
-rxn:4:214711:224321,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cn2)CC1,IIGXUFSXLNNIBS-UHFFFAOYSA-N
-rxn:4:214712:222585,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2ccccc2C(=O)NCCN2CCOCC2)cn1,OEGWRFIEQZGKIE-UHFFFAOYSA-N
-rxn:4:214735:225712,CCOC(=O)COc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc1,LKUFRBNJBADNSS-UHFFFAOYSA-N
-rxn:4:214745:224198,CCN1CCN(Cc2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,BRSHPGDGXPQOPP-UHFFFAOYSA-N
-rxn:4:214745:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c2)CC1,ZVIDSPMKSLWCLS-UHFFFAOYSA-N
-rxn:4:214770:223895,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])c(N4CCC(N(C)C)CC4)c3)cc2)CC1,WMNORUJLKJCAEW-UHFFFAOYSA-N
-rxn:4:214772:225379,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1,QFDJMGTZUUVIHD-UHFFFAOYSA-N
-rxn:4:214775:225226,CC1CCN(c2cc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)c(F)cn2)CC1,PJUFXVLLHUIPDK-UHFFFAOYSA-N
-rxn:4:214777:222943,CC(C)N1CCN(c2cc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)c(F)cc2[N+](=O)[O-])CC1,AGEJREVXHMKTLZ-UHFFFAOYSA-N
-rxn:4:214805:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,RWDOVXHEGCYYLV-UHFFFAOYSA-N
-rxn:4:214819:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OUHRZPHVVOXLJY-UHFFFAOYSA-N
-rxn:4:214820:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,OQZSWMLWRYIEKK-UHFFFAOYSA-N
-rxn:4:214838:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(Cl)c2)CC1,WKYWKEILBZBGNF-UHFFFAOYSA-N
-rxn:4:214839:226990,CN(C)CCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZBPUEEHTAXELJS-UHFFFAOYSA-N
-rxn:4:214839:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,ZSJNVYFLLXTVSF-UHFFFAOYSA-N
-rxn:4:214850:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(CC4CCCN(C(C)C)CC4)cn3)c2)CC1,DYUHJTBEGZWUOU-UHFFFAOYSA-N
-rxn:4:214852:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cncc(C(=O)N5CCC(N6CCCC6)CC5)c4)c3)cccc12,UWFKEDDNQIADQA-UHFFFAOYSA-N
-rxn:4:214857:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N3CCC(c4ccn(C)n4)CC3)cc2)c1,GUYYZKXHARNFIK-UHFFFAOYSA-N
-rxn:4:214862:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)ccn2)CC1,FTCGVJDBZFYNOU-UHFFFAOYSA-N
-rxn:4:214867:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C)c3)c(F)c2)CC1,MYHVXSIPOHPOSG-BIBMFLLGSA-N
-rxn:4:214867:225383,Cc1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,GMWWTBGEUZKWAM-UHFFFAOYSA-N
-rxn:4:214873:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c2)CC1,YRVBKPCZPSQQTB-UHFFFAOYSA-N
-rxn:4:214874:225726,CCOC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1OC,DIFDONXUCZRSGI-UHFFFAOYSA-N
-rxn:4:214881:227899,CCC#Cc1cncc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,RANDTPSZEBAFSA-UHFFFAOYSA-N
-rxn:4:214882:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5CCC(C(=O)N6CCC(F)(F)CC6)CC5)nc4)c3)cccc12,WPWFIPUWHWDLGA-UHFFFAOYSA-N
-rxn:4:214885:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(N5CCC(C(=O)N6CCC(F)(F)CC6)CC5)c(Cl)c4)c3)cccc12,BNHXNRBDFWJBSI-UHFFFAOYSA-N
-rxn:4:214891:224612,O=C1CC(c2noc(-c3cccc(-c4ccc(OCCN5CCOCC5)cc4)c3)n2)CN1C1CCCCC1,TYFAYTHUQRXCTB-UHFFFAOYSA-N
-rxn:4:214896:227899,CCC#Cc1cncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)c1,DNEAVNMYUYJTGX-UHFFFAOYSA-N
-rxn:4:214995:223844,CCOC(=O)C1CCc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nnn2C1,LAHPSYJPCDUINT-UHFFFAOYSA-N
-rxn:4:215096:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)c1,ZGIRLKCUEQCGPO-UHFFFAOYSA-N
-rxn:4:215102:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)c1,RWGBCSXEGOOJHI-UHFFFAOYSA-N
-rxn:4:215143:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)cc2)CC1,LSXMJJBSFYVYQF-UHFFFAOYSA-N
-rxn:4:215197:224657,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)c1F,OHLNQGWRBWHEEK-UHFFFAOYSA-N
-rxn:4:215198:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc1F,ZOMMMHREYAMQOC-UHFFFAOYSA-N
-rxn:4:215205:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(CCc3nc5ccccc5n3C)C(=O)CO4)cc2)CC1,WNQMVHZTKSKVLV-UHFFFAOYSA-N
-rxn:4:215216:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c(Cl)c2)CC1,SLBPALLPOBXTLS-UHFFFAOYSA-N
-rxn:4:215216:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,XZAAINFSGAUZMK-UHFFFAOYSA-N
-rxn:4:215218:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4noc(C5CC(=O)N(c6ccc7c(c6)OCCO7)C5)n4)cc3)c2)CC1,GKKWNMNLASTOQD-UHFFFAOYSA-N
-rxn:4:215233:222823,CN1c2ccccc2N(C2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4F)cc3)CC2)S1(=O)=O,URWQNVPONDAJRE-UHFFFAOYSA-N
-rxn:4:215234:223866,Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc12,JIDXGDRVCXXRLF-UHFFFAOYSA-N
-rxn:4:215239:226844,O=C1C2ON(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,BKAPYYGDIQMLAS-UHFFFAOYSA-N
-rxn:4:215295:226307,COCc1cc(C)cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1OC,XZSOJOWLLJGNTD-UHFFFAOYSA-N
-rxn:4:215295:228140,CC(c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)s1)N(C)C,JYIUANRXCXLCQP-UHFFFAOYSA-N
-rxn:4:215300:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,MDWIOTPZWQDAPO-UHFFFAOYSA-N
-rxn:4:215391:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(S(N)(=O)=O)c([N+](=O)[O-])c3)cc2C)CC1,FILPFDRRMSCQIH-UHFFFAOYSA-N
-rxn:4:215772:223835,Cc1cc(F)c(-c2cncc(N3CCC(C#N)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,LLXBRIHIFYAIDE-UHFFFAOYSA-N
-rxn:4:215772:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,HDOYJISMXBRMSD-UHFFFAOYSA-N
-rxn:4:215772:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,QDZHMEFGTOZWSP-UHFFFAOYSA-N
-rxn:4:215775:223835,Cc1cc(F)c(-c2cnc(N3CCCCC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZCPPCIRHIRYMKO-UHFFFAOYSA-N
-rxn:4:215800:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(N3CCC(C(F)(F)F)CC3)n2)CC1,KLXVDXOYDVEREE-UHFFFAOYSA-N
-rxn:4:215801:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(N3CCCC(C(F)(F)F)C3)n2)CC1,ZYQMBEGZDQQBOJ-UHFFFAOYSA-N
-rxn:4:215837:223835,CCN1CCC(n2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cn2)CC1,KDJNZDBKXIRAOA-UHFFFAOYSA-N
-rxn:4:215837:223842,CCN1CCC(n2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,ISVUPVMKOWCIMM-UHFFFAOYSA-N
-rxn:4:215844:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(C)CC3)n2)CC1,OYZGLBHGGFZVEF-UHFFFAOYSA-N
-rxn:4:215844:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCN(C)CC4)n3)cc2)CC1,FSXWULKLLGCQHG-UHFFFAOYSA-N
-rxn:4:215848:223951,CN1CCN(CCOc2ccc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc2F)CC1,MRTXGQGVOHQJAA-UHFFFAOYSA-N
-rxn:4:215848:223952,CN1CCN(CCOc2ccc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc2Cl)CC1,CUHYYZBUIVFFEG-UHFFFAOYSA-N
-rxn:4:215852:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)ccn2)CC1,YRDQXSQOBHPIEX-UHFFFAOYSA-N
-rxn:4:215853:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCN(C)CC3)c2)CC1,UDRDPRCOEWZWTO-UHFFFAOYSA-N
-rxn:4:215853:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,RJSWWORAHGDRKU-UHFFFAOYSA-N
-rxn:4:215855:223841,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,MYCOLGPFDXZIIK-UHFFFAOYSA-N
-rxn:4:215862:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(Cl)cc3C(=O)N3CCN(C)CC3)cc2)CC1,JTISHIHMGRTRHF-UHFFFAOYSA-N
-rxn:4:215866:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)cc2)CC1,SULWGWVORMVZAF-UHFFFAOYSA-N
-rxn:4:215867:223895,CCN1CCN(CCOc2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,FFMLTAGUBAUNMC-UHFFFAOYSA-N
-rxn:4:215867:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,TUVIINBFOPVZIL-UHFFFAOYSA-N
-rxn:4:215868:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,QMJOOEAEADYOEH-UHFFFAOYSA-N
-rxn:4:215870:223835,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)nc2)CC1,SVPLEIOKAUQHNV-UHFFFAOYSA-N
-rxn:4:215870:223842,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)nc2)CC1,GQFRORXWQOHMNV-UHFFFAOYSA-N
-rxn:4:215871:223640,CCOC12C(=O)c3cc(F)cc(-c4cccc(CN5CCN(C)CC5)n4)c3C(=O)C1C2(C)C,APEGZTCLZLFLFR-UHFFFAOYSA-N
-rxn:4:215872:223841,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)n2)CC1,WMSJXUILYQUIBH-UHFFFAOYSA-N
-rxn:4:215872:223842,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)n2)CC1,LJSVPMZZEISIIU-UHFFFAOYSA-N
-rxn:4:215877:223835,CCN1CCN(c2cncc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)CC1,HUOVNWZXUNVWAW-UHFFFAOYSA-N
-rxn:4:215877:223838,CCN1CCN(c2cncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)c2)CC1,AWSQFFGNURLGTB-UHFFFAOYSA-N
-rxn:4:215877:223842,CCN1CCN(c2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c2)CC1,KMMSDFMMNQTGKZ-UHFFFAOYSA-N
-rxn:4:215880:223835,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cn2)CC1,ZIELRRQMLUJFDJ-UHFFFAOYSA-N
-rxn:4:215880:223841,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,UDVQGGXJEHRNKU-UHFFFAOYSA-N
-rxn:4:215880:223842,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,YDIOUATXQZNPLH-UHFFFAOYSA-N
-rxn:4:215883:223838,CCN1CCN(c2ncccc2-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1,NJZWZJFSGGLKDH-UHFFFAOYSA-N
-rxn:4:215898:223831,COc1ccc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)cc1S(=O)(=O)N1CCC(C)CC1,IRIKMNAJPZUSBA-UHFFFAOYSA-N
-rxn:4:215898:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,WMZSOMGGDCIEOM-UHFFFAOYSA-N
-rxn:4:215904:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)c2)CC1,OGSUUBWASJBQQW-UHFFFAOYSA-N
-rxn:4:215908:223841,Cc1cc(F)c(-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PJSKYCWVEKIBGT-UHFFFAOYSA-N
-rxn:4:215908:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)CC1,LJXWGGVZKKVRKT-UHFFFAOYSA-N
-rxn:4:215908:223953,COCCN1CCN(c2cc(F)cc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,AKWJSRRSBSQLHV-UHFFFAOYSA-N
-rxn:4:215908:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(N2CCN(S(C)(=O)=O)CC2)c1,CKANZNXABYJIDI-UHFFFAOYSA-N
-rxn:4:215912:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,CHITYLDIOIQTHJ-UHFFFAOYSA-N
-rxn:4:215920:223697,CC1CCN(C(=O)c2c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cnn2C)CC1,ZLKJQDDEPOADPC-UHFFFAOYSA-N
-rxn:4:215936:223712,COc1ccc(-c2cnc(SC)nc2N2CC(C)OC(C)C2)cc1C12CC3CC(CC(C3)C1)C2,JCAJJJJOFMAURW-UHFFFAOYSA-N
-rxn:4:215940:223753,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc1OCCCN1CCN(C)CC1,OZRVYVSWVQPNHQ-UHFFFAOYSA-N
-rxn:4:215941:223786,CN1CCN(CCCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,CJXRZJVSXXHGFY-UHFFFAOYSA-N
-rxn:4:215941:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,HLNZINAJDATRSJ-UHFFFAOYSA-N
-rxn:4:215944:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,IMVNDWIIQLFZCA-UHFFFAOYSA-N
-rxn:4:215945:223970,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCC(C)CC1,ZGLMEMMRRKQRQT-UHFFFAOYSA-N
-rxn:4:215956:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,OXVQRDNUQRSNKE-UHFFFAOYSA-N
-rxn:4:215982:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCCC(C)C4)nc(C(C)C)n3)cc2)CC1,RUIYWTOEVAWGDF-UHFFFAOYSA-N
-rxn:4:215990:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c1,ZLFJGIRPSIPDSR-UHFFFAOYSA-N
-rxn:4:216240:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C(=O)C(=Cc5nc6ccccc6[nH]5)SC4=S)cc3)cc2F)CC1,WIILYKIMVJUWFG-UHFFFAOYSA-N
-rxn:4:216245:223771,COc1ccc2c(c1)cc(-c1cnc3c(c1)N(C(=O)C(C)(C)C)CCN3C)n2C(=O)OC(C)(C)C,MFAJUUGXZBXXOQ-UHFFFAOYSA-N
-rxn:4:216299:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CCc4nc5ccccn5c(=O)c4C3)c(F)cc2C)CC1,CEGLSLDHYRPYRT-UHFFFAOYSA-N
-rxn:4:216341:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)CC(N5CCc6c([nH]c7ccccc67)C5)C4=O)cc3)cc2)CC1,ZZVQHCFBCDMOQY-UHFFFAOYSA-N
-rxn:4:216355:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)cc1F,YECFFYRBNVCPNE-UHFFFAOYSA-N
-rxn:4:217107:223649,CN1CCN(c2cncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,XPEZABDKZIMYBP-UHFFFAOYSA-N
-rxn:4:217860:223902,CC1CCN(CCOc2ccc(-c3cc4n(n3)CC(=O)N(C(C)C)CC4)cc2F)CC1,RVWPKEPJVFRZDK-UHFFFAOYSA-N
-rxn:4:217865:222537,C=C1CC2CCC(C1)N2c1ncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cn1,YBMWLBNEROWZHQ-UHFFFAOYSA-N
-rxn:4:217865:223568,C=C1CC2CCC(C1)N2c1ncc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cn1,SGKGZGOMFXIIRR-UHFFFAOYSA-N
-rxn:4:218578:226844,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VWJZXJSYBIESLM-UHFFFAOYSA-N
-rxn:4:218583:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)c1,ZQNSFTWXNYCFAU-UHFFFAOYSA-N
-rxn:4:218587:222684,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)cc1,UUHRTYFJTMUHCV-UHFFFAOYSA-N
-rxn:4:218588:223873,CC1CCN(C(=O)CCc2ccccc2-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)CC1,FQXSSQVVDKPDGT-UHFFFAOYSA-N
-rxn:4:218590:225598,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(CN4CCSCC4)c3)cn2)C1,RUTPGLVQIMDQNX-UHFFFAOYSA-N
-rxn:4:218655:225168,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,LPMZQSBWUDLFOW-UHFFFAOYSA-N
-rxn:4:218655:225898,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,XRYQPYAQEBCXFI-UHFFFAOYSA-N
-rxn:4:218662:222684,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)c1,GKEYDRQFSLQQIT-UHFFFAOYSA-N
-rxn:4:218668:226550,CCCOc1c(F)cc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)cc1F,BKKZYZXHSASKJU-UHFFFAOYSA-N
-rxn:4:218687:225537,CCN(CC)Cc1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c2)c1,JLSQRHFBVKFTGO-UHFFFAOYSA-N
-rxn:4:218688:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cc(N5CCCN(C(=O)COc6ccccc6)CC5)[nH]n4)cc3)c2)CC1,MVYZBQOKGJWKHN-UHFFFAOYSA-N
-rxn:4:218689:223929,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)CC3)[nH]n2)cc1,BQWTVJUZYUOTBH-UHFFFAOYSA-N
-rxn:4:218703:224569,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cc(F)cc(OCC5CCCCC5)c4)CC3)[nH]n2)cc1,PCDKATUBOWHESK-UHFFFAOYSA-N
-rxn:4:218704:224621,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OCCN5CCSCC5)cc4)cc3)n[nH]2)CC1,DKXORCNBKFDAOJ-UHFFFAOYSA-N
-rxn:4:218704:225984,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)n[nH]2)CC1,BSVBSHHLTCGEDF-UHFFFAOYSA-N
-rxn:4:218705:222424,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)n[nH]2)CC1,QEOYABLRVAHHAX-UHFFFAOYSA-N
-rxn:4:218709:225975,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccnc(N6CCOCC6)c5Cl)cc4)n[nH]3)CC2)c1,GRGQGKAKCFZDLE-UHFFFAOYSA-N
-rxn:4:218710:222424,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YGGJHOUFXNWHPI-UHFFFAOYSA-N
-rxn:4:218711:226820,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cscn4)cc3F)CC2)CC1,IZNSPBSLDDHGBT-UHFFFAOYSA-N
-rxn:4:218713:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1C,CMSJRBQMBBYEEA-UHFFFAOYSA-N
-rxn:4:218768:225162,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(C(=O)N2CCCC2)c(Cl)c1,RQZGZGFCYWACQU-UHFFFAOYSA-N
-rxn:4:218773:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)s1,KLIGVEOBPXKZBR-UHFFFAOYSA-N
-rxn:4:218786:222465,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cccc4c3C2)CC1,SPUDJFQKRANGDN-UHFFFAOYSA-N
-rxn:4:218808:223753,Cc1ccc(-c2cnn(CC3CN(Cc4ccc(C#N)cc4F)C3)c2)cc1OCCCN1CCN(C)CC1,CMQYUINGZATJDQ-UHFFFAOYSA-N
-rxn:4:218831:222541,O=C(NCCN1CCCCC1)c1ccc(-c2cnc(OCC3CCN(C(=O)c4cscn4)CC3)nc2)cc1,WBZJFANZYWPOQJ-UHFFFAOYSA-N
-rxn:4:218832:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)c2)CC1,KVOFVRKPWYKJFN-UHFFFAOYSA-N
-rxn:4:218867:224891,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCC4)ccc3C3CC3)c2)no1,FAEUZUPEUHZBPG-UHFFFAOYSA-N
-rxn:4:218867:224953,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OCC4CCCCC4)nc3)c2)no1,BLECSIGMQYGQON-UHFFFAOYSA-N
-rxn:4:218867:225672,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(F)nc(C4CCCCC4)c3)c2)no1,SRIPQXZKXHQNSL-UHFFFAOYSA-N
-rxn:4:218867:226177,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C4CCCCC4)c3)c2)no1,DWSRDRCMZPGWGC-UHFFFAOYSA-N
-rxn:4:218867:226729,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCOC4)nc3)c2)no1,LKJHZELNBHVBPC-UHFFFAOYSA-N
-rxn:4:218867:227404,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCCC4)cs3)c2)no1,ZOGUNTSEEPJFRQ-UHFFFAOYSA-N
-rxn:4:218868:225723,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2)no1,APQVQPGXJFGXIH-UHFFFAOYSA-N
-rxn:4:218868:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccccc3OC3CCCC3)cc2)no1,VYIVWNOWGURADQ-UHFFFAOYSA-N
-rxn:4:218875:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(OCc3nc(C#N)c(N4CCN(C)CC4)o3)cc2)c1,MZGBZRCMECSIBW-UHFFFAOYSA-N
-rxn:4:218875:222896,CN1CCN(c2oc(COc3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)nc2C#N)CC1,ROENMSFPZXNUMW-UHFFFAOYSA-N
-rxn:4:218886:224819,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)C1,VOCHIFCOFRAMSQ-UHFFFAOYSA-N
-rxn:4:218888:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(F)c2)CC1,OFQPGHIISVHSHC-UHFFFAOYSA-N
-rxn:4:218889:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c(F)c2)CC1,ITUPLNQMCSLWFB-ANRZFKABSA-N
-rxn:4:218892:222631,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)c3)C2)nn1,YODMVIXAJLYKMM-UHFFFAOYSA-N
-rxn:4:218901:222638,COCCc1nsc(N2CCN(c3cccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)c3)CC2)n1,AMFAKGCIRZDQOS-UHFFFAOYSA-N
-rxn:4:218903:222948,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2C#N)CC1,PNORTGKQCUNOIK-UHFFFAOYSA-N
-rxn:4:218917:227224,CCN(CC)c1cncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,HLJBGEPIGXFMGE-UHFFFAOYSA-N
-rxn:4:218970:223812,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SMZPXZJSBGQIAO-UHFFFAOYSA-N
-rxn:4:218971:222638,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)CC2)s1,FKKQMFHBPMRVSF-UHFFFAOYSA-N
-rxn:4:218972:225898,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)s1,SOURGOGAKIFONV-UHFFFAOYSA-N
-rxn:4:218973:224196,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCN(CC)CC5)c4)c3)CC2)nc1,VVTVCZPXARDICW-UHFFFAOYSA-N
-rxn:4:218992:224298,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)cn3)C2)CC1,DVICPXLKJOYJMB-UHFFFAOYSA-N
-rxn:4:218997:222638,Cc1noc(C)c1CN1CCCC(COc2ncc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cn2)C1,ACNVRRKTKSLNTK-UHFFFAOYSA-N
-rxn:4:219001:225967,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(-n4ccnc4C)c(Cl)c3)C2)C(=O)C1=O,YCFXTOPBSQSQPP-UHFFFAOYSA-N
-rxn:4:219015:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)cc2)CC1,TVWOUGDMUXETLV-UHFFFAOYSA-N
-rxn:4:219033:224612,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,UEYRHGYABQCSKZ-UHFFFAOYSA-N
-rxn:4:219048:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c1,ZJJKCKQGIQWIGL-UHFFFAOYSA-N
-rxn:4:219061:227482,CCCOc1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)cn1,LRAXWOFTXPSCIP-UHFFFAOYSA-N
-rxn:4:219074:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4cc(N5CCCN(C(=O)c6cccc(OC)c6)CC5)[nH]n4)cc3)c2)CC1,IOBNVRXNMWINCU-UHFFFAOYSA-N
-rxn:4:219093:223525,CCC(=O)C1=C(c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,JNHGNSVXMLWLEF-UHFFFAOYSA-N
-rxn:4:219093:223533,CCC(=O)C1=C(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2)N(C(=O)CC)n2cnnc2S1,VTFKOLYKCXLCEP-UHFFFAOYSA-N
-rxn:4:219107:222684,CCC(=O)C1=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,SGPYZMRKZZLIDC-UHFFFAOYSA-N
-rxn:4:219108:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(OC3CCN(C(=O)Cn4cnc5ccccc54)C3)nc2)c1,DLDHDLGMQQPHGC-UHFFFAOYSA-N
-rxn:4:219135:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)ccc3OC)c2)CC1,HWTXUFXCMJGDTR-UHFFFAOYSA-N
-rxn:4:219144:226844,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,MFFDOPVVMWUYIX-UHFFFAOYSA-N
-rxn:4:219155:225527,CCN(CC)C(=O)c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc1,KOUNDNIKATTWEE-UHFFFAOYSA-N
-rxn:4:219174:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4CCC(=O)N4CCCc5cnc(N6CCOCC6)nc54)c3)cccc12,GSLUFSGUVNHPKI-UHFFFAOYSA-N
-rxn:4:219175:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1,UKIJJMLPZYCWEQ-UHFFFAOYSA-N
-rxn:4:219182:224579,COc1ccc(-c2cc(-n3cnc(C)c3)ccc2C2CC2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,PGWUHGPPEDFYTP-UHFFFAOYSA-N
-rxn:4:219184:223960,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(C(=O)N5CCN(CC)CC5)c4)cc2)OC3)CC1,QMFITSCBAGYXRQ-UHFFFAOYSA-N
-rxn:4:219207:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c1,WWIWQXLYJHGMEF-UHFFFAOYSA-N
-rxn:4:219207:224658,CC(=O)N1CCN(c2ccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)cc2)CC1,MXUAYPLAAKJPOJ-UHFFFAOYSA-N
-rxn:4:219340:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)cc2)CC1,NUZAJNLSMVTWMQ-UHFFFAOYSA-N
-rxn:4:219354:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,HJLGIWWQFWEADQ-UHFFFAOYSA-N
-rxn:4:219378:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CC(=O)N4CCC(n5ccnn5)CC4)cc3)c(F)cc2C)CC1,JYGHQGLMJRPTJC-UHFFFAOYSA-N
-rxn:4:219382:223755,CC1CCN(CCCOc2ccc(-c3ccc(-n4cnn(CCN5CCOCC5)c4=O)c(F)c3)cc2F)CC1,UOQULVCIQJMJSG-UHFFFAOYSA-N
-rxn:4:219388:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,VSVLGFCZUMIVDW-UHFFFAOYSA-N
-rxn:4:219388:224767,O=C(c1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JBMQRHCACZURHJ-UHFFFAOYSA-N
-rxn:4:219419:223529,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)o3)CC2)cc(C(F)(F)F)n1,XJPSKRKGRLSTJM-UHFFFAOYSA-N
-rxn:4:219436:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,MZUCXKKVFONLDM-UHFFFAOYSA-N
-rxn:4:219437:222638,COc1ccccc1N1CCN(c2ncc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2C#N)CC1,KMKITMVXCGDQJG-UHFFFAOYSA-N
-rxn:4:219442:223753,Cc1ccc(-c2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)cc1OCCCN1CCN(C)CC1,ZLDZFLMMOIHYPN-UHFFFAOYSA-N
-rxn:4:219451:225741,CCCCOc1c(F)cc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cc1Cl,VLQUHYOYYVFJPU-UHFFFAOYSA-N
-rxn:4:219462:226844,O=C(c1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccn1)C(F)(F)F,HNLWMPLNBODQFU-UHFFFAOYSA-N
-rxn:4:219479:223927,C[Si](C)(C)CCOCn1c(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc2cccnc21,KLWAECIZVQTQRA-UHFFFAOYSA-N
-rxn:4:219479:224612,O=C(c1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,NFAQPUFXUHNLRZ-UHFFFAOYSA-N
-rxn:4:219493:223755,Cc1nn(C)c(C)c1C(=O)N1CCC(Oc2ccncc2-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)C1,YODFNDRGROWPTJ-UHFFFAOYSA-N
-rxn:4:219496:223985,COc1ccc(-c2ccc(C)c(C(=O)N(C)C3CN(c4ccc(C)nn4)C3)c2)cc1S(=O)(=O)N1CCCCC1,BJJKAYYPHNYILI-UHFFFAOYSA-N
-rxn:4:219498:224782,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,APOIZNGPYLCQIV-UHFFFAOYSA-N
-rxn:4:219498:227366,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(Cl)cc(OC(C)C)c1,GEPPXDKXYDROGM-UHFFFAOYSA-N
-rxn:4:219501:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,QYGNZZXMBORUOE-UHFFFAOYSA-N
-rxn:4:219501:226554,CCCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,QEEKQHBHTFZELK-UHFFFAOYSA-N
-rxn:4:219501:227252,CCCOc1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,KJNJSJONEOGFPB-UHFFFAOYSA-N
-rxn:4:219503:222638,Cc1ncnc(N2CCN(C(=O)Cc3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)CC2)c1F,BSXBGSDZKYWMLW-UHFFFAOYSA-N
-rxn:4:219506:225638,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cn2)CC1,JREJRSSZIPLGLB-UHFFFAOYSA-N
-rxn:4:219516:226844,CN1CC(CN2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1=O,YLDUXWUMHVRHIZ-UHFFFAOYSA-N
-rxn:4:219530:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(OC5CCN(C6CCN(C7CC7)C6=O)CC5)nc4)c3)cccc12,CRHZNBDGPXAHMO-UHFFFAOYSA-N
-rxn:4:219531:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,GNSQIJHKVZNKHZ-UHFFFAOYSA-N
-rxn:4:219532:222424,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,KWURXJHDKOSFBP-UHFFFAOYSA-N
-rxn:4:219533:226474,CSc1ncc(-c2cncc(OCCN(C)C)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,XTOBBPDPDRRDNU-UHFFFAOYSA-N
-rxn:4:219534:224421,CC(C)c1cc(C(C)C)c(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)c(C(C)C)c1,JDZZPAJXTFZYCX-UHFFFAOYSA-N
-rxn:4:219543:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1,OLSKNJCFWZATCX-UHFFFAOYSA-N
-rxn:4:219543:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(C)c5C#N)CC4)cc3)cc2)CC1,KGOSSDKKWPNCKM-UHFFFAOYSA-N
-rxn:4:219626:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(Cl)c6nonc56)CC4)o3)cc2)CC1,FPQGFVJGODGYLE-UHFFFAOYSA-N
-rxn:4:219651:222478,COc1ccc(-c2cc(C(=O)NCc3ccccc3C)ccc2Cl)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,BDBXWPZMLVGFGW-UHFFFAOYSA-N
-rxn:4:219654:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,ISMZPDYMFZMQPJ-UHFFFAOYSA-N
-rxn:4:219687:222948,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc32)CC1,DQKTVYYKAQQKAG-UHFFFAOYSA-N
-rxn:4:219688:225979,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3n2)CC1,UVZHUOUBPPJIAM-UHFFFAOYSA-N
-rxn:4:219697:224198,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)c(F)c2)CC1,FPUUASFNGMVNEC-UHFFFAOYSA-N
-rxn:4:219704:225898,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3n2)CC1,MRHXUHCLWMNLMX-UHFFFAOYSA-N
-rxn:4:219706:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,GJYWBGYJIDSFHO-UHFFFAOYSA-N
-rxn:4:219707:224394,Cc1ccc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cc1S(=O)(=O)N1CCOCC1,GZADJGKTCNSJPT-UHFFFAOYSA-N
-rxn:4:219749:223755,CC1CCN(CCCOc2ccc(-c3ccc(Cn4nc(C(C)C)c5cnn(C(C)(C)C)c5c4=O)cc3)cc2F)CC1,CIFXLCVCMKDXCA-UHFFFAOYSA-N
-rxn:4:219750:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,OMWMVJKPOJZZLP-UHFFFAOYSA-N
-rxn:4:219759:222638,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc2)OC3)CC1,ZOKRZFABRMAQLO-UHFFFAOYSA-N
-rxn:4:219763:224790,CCCOc1cc(-c2cncc(C(=O)N3CCC(Cn4c(C)nc5ccccc5c4=O)CC3)c2)ccc1OC(F)(F)F,MWBZAAKTNMPZTB-UHFFFAOYSA-N
-rxn:4:219766:225173,O=C(c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c(F)c1)N1CCCC1,HLEYDVYWJCNMNM-UHFFFAOYSA-N
-rxn:4:219767:222684,CN1CCN(n2c3c(c(SCc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)nc2=O)CCC3)CC1,OAGLVKFTHNVNLY-UHFFFAOYSA-N
-rxn:4:219778:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(-c5cn(CC)c6cc(N7CCC(C)CC7)c(F)cc6c5=O)n4)cc3)c(F)c2)CC1,JGLSWIISWMJSNI-UHFFFAOYSA-N
-rxn:4:219793:224612,CC1CCN(C(=O)CSc2nc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3c3nc4ccccc4n23)CC1,JENYVQMBWAYEAV-UHFFFAOYSA-N
-rxn:4:219848:223588,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(n3ccnn3)C2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HBIPUQVLXDVWSY-UHFFFAOYSA-N
-rxn:4:219867:222638,CCN1CCN(c2ncc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,VTIHYZXDACRFBL-UHFFFAOYSA-N
-rxn:4:219867:222812,CCN1CCN(c2ncc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,BDNXIXZCSKNREY-UHFFFAOYSA-N
-rxn:4:219880:225281,CSc1ncc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,APLVWFZIGRXZMN-UHFFFAOYSA-N
-rxn:4:219894:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,OYMRJXWVSLWRIA-UHFFFAOYSA-N
-rxn:4:219895:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C(=O)N2CCC(n3ccnn3)CC2)CC1,KXSHSBUHUCSQBH-UHFFFAOYSA-N
-rxn:4:219903:222694,CC(C)N1CCN(c2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2[N+](=O)[O-])CC1,LYVIBFJZLOVURM-UHFFFAOYSA-N
-rxn:4:219904:222582,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,HOPLXWQEBBGFQH-UHFFFAOYSA-N
-rxn:4:219914:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1,NWUJIXGVOYBSMF-UHFFFAOYSA-N
-rxn:4:219915:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1,ZISURLNETBIYAU-UHFFFAOYSA-N
-rxn:4:219916:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,WXKDEVMIWIRCGF-UHFFFAOYSA-N
-rxn:4:219937:222607,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)n3)C2)c1,JJBVSFIPHYGQDX-UHFFFAOYSA-N
-rxn:4:219959:222973,CC(C)(C)NC(=O)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,UJALBZCOGILAGD-UHFFFAOYSA-N
-rxn:4:219959:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1Cl,ZPJOKNDAVYMIAO-UHFFFAOYSA-N
-rxn:4:219965:224325,Cc1ncnc(N2CCN(C(=O)c3ccccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)c1F,XFNKFAZDKRMPCK-UHFFFAOYSA-N
-rxn:4:219975:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,GTEGLIABRRJNJZ-UHFFFAOYSA-N
-rxn:4:219975:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2)CC1,BWDISPWYXYBXOP-UHFFFAOYSA-N
-rxn:4:219998:222431,O=C(C1CCN(c2ncc(-c3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)cn2)CC1)N1CCC(F)(F)CC1,DRLDBSRISVJQEZ-UHFFFAOYSA-N
-rxn:4:219998:223753,Cc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1OCCCN1CCN(C)CC1,FLSKUMLVODBMMQ-UHFFFAOYSA-N
-rxn:4:220124:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)c2)CC1,SPXYFOZSVUSJFY-UHFFFAOYSA-N
-rxn:4:220135:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cncn2)C3)c1,QXXVVHXATKLNDU-UHFFFAOYSA-N
-rxn:4:220150:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(N6CC(C(=O)N7CCSCC7)CC6=O)[nH]nc5c4)c3)cccc12,USJXHYIHYWUAAV-UHFFFAOYSA-N
-rxn:4:220158:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)c1Cl,GZGFAOUPSZSSJO-UHFFFAOYSA-N
-rxn:4:220162:222633,CSc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c(N2CC(N3CC4CCCC4C3)C2)n1,DNJJKDQMQSFHHQ-UHFFFAOYSA-N
-rxn:4:220162:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(SC)nc3N3CC(N4CC5CCCC5C4)C3)c(F)cc2C)CC1,ABGVSKYFEVTQJV-UHFFFAOYSA-N
-rxn:4:220171:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)c2)CC1,VHWCCTCFDPIEHU-UHFFFAOYSA-N
-rxn:4:220191:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)cc1,HMFZEVWFMVAOSE-UHFFFAOYSA-N
-rxn:4:220191:224198,CCN1CCN(Cc2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)c(F)c2)CC1,FGOBXJSULSWFDS-UHFFFAOYSA-N
-rxn:4:220194:222633,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)c(C)c4)C3C2=O)cc1,PYNZMKBMZNQVKY-UHFFFAOYSA-N
-rxn:4:220194:222638,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C(C)NC(=O)OC(C)(C)C)c5)c(C)c4)C3C2=O)cc1,HSHGZKIFSFUPCD-UHFFFAOYSA-N
-rxn:4:220205:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,WSNZCESGEHVFCX-UHFFFAOYSA-N
-rxn:4:220221:224818,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc2)OC3)CC1,OHYOHBGAHCJFMV-UHFFFAOYSA-N
-rxn:4:220228:223660,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)s5)c4)c2=O)CCCCC3)no1,JBRGQVMLEQHMDJ-UHFFFAOYSA-N
-rxn:4:220230:223602,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,KOGGSLJVZBUPSC-UHFFFAOYSA-N
-rxn:4:220267:222633,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)c4ccccc4N23)c1C,WLKHNPWXUDTRNF-UHFFFAOYSA-N
-rxn:4:220356:222540,O=C(NCCN1CCCCC1)c1cccc(-c2nc([N+](=O)[O-])nn2C2CCCCC2)c1,XADJTNJOODJWOZ-UHFFFAOYSA-N
-rxn:4:220414:222638,Cc1c(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],GEWZXLBKOSRUSW-UHFFFAOYSA-N
-rxn:4:220426:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCOCC4)nc3N3CCOCC3)c(F)c2s1,TVTKPRUVEZNKRH-UHFFFAOYSA-N
-rxn:4:220429:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c2)CC1,PWNZNGIRVRVTQK-UHFFFAOYSA-N
-rxn:4:220430:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,MQTXPWHZYALCPE-UHFFFAOYSA-N
-rxn:4:220519:223671,CCN1CCN(c2ncnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,DGXOQGCFEUFZBW-UHFFFAOYSA-N
-rxn:4:221090:222658,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cn1,DGIQCCBZWHFLCO-UHFFFAOYSA-N
-rxn:4:221098:222633,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)CC2)c(C(F)F)n1,PSJNBFIWTXWUHG-UHFFFAOYSA-N
-rxn:4:221105:223558,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc5c(c4)CCN(C(=O)OCc4ccccc4)C5)cn3)C2)nc1C,FGVSIOPNOPVQPD-UHFFFAOYSA-N
-rxn:4:221105:224458,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(C)N5CCC(C)CC5)cc4)cn3)C2)nc1C,XDLCZNIPYUHFRJ-UHFFFAOYSA-N
-rxn:4:221110:228551,CCCc1ncccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,UTOXPVSXBNHNQX-UHFFFAOYSA-N
-rxn:4:221110:229231,CCc1ncc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)s1,DNCYGFMLMPHQEN-UHFFFAOYSA-N
-rxn:4:221111:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(N2CC(C(=O)N3CCN(CCn4ccnc4)CC3)CC2=O)c1,KMYYKNFXWXIRTH-UHFFFAOYSA-N
-rxn:4:221114:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,ONPJFMNKXOWEIH-UHFFFAOYSA-N
-rxn:4:221121:222543,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6(NC(=O)OC(C)(C)C)CC6)cc5)ccc43)CC2)CC1,QAEPJJDMAMISDK-UHFFFAOYSA-N
-rxn:4:221121:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,NMHKTNYNKDUSER-UHFFFAOYSA-N
-rxn:4:221121:222865,CCCCNC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,ALVWOLDRKITAHY-UHFFFAOYSA-N
-rxn:4:221121:222982,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CN6CC[C@@H](O)C6)cc5)ccc43)CC2)CC1,OEQNAXWRFXBQCF-GDLZYMKVSA-N
-rxn:4:221121:223020,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)NCCC#N)cc5)ccc43)CC2)CC1,PBAUGZSSAIJJPP-UHFFFAOYSA-N
-rxn:4:221121:223105,CNS(=O)(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cc1C,UPKLYPDEKJIQRK-UHFFFAOYSA-N
-rxn:4:221121:223194,CCCNCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,SFCHIRKYDFQTPX-UHFFFAOYSA-N
-rxn:4:221121:223287,CNS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,ICUYCCLZZLCJSP-UHFFFAOYSA-N
-rxn:4:221121:223300,Cc1c[nH]c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,DSGQJZYGTVCVMT-UHFFFAOYSA-N
-rxn:4:221121:223488,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)ccc43)CC2)CC1,VUBPFSAMHHSHFN-UHFFFAOYSA-N
-rxn:4:221121:223491,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,INPDBPUNBMVPEI-UHFFFAOYSA-N
-rxn:4:221121:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,DTFOPGFBYASQGQ-UHFFFAOYSA-N
-rxn:4:221121:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c1)n2C(=O)OC(C)(C)C,NXMCYPRBDXNYKO-UHFFFAOYSA-N
-rxn:4:221121:223587,COc1cc(COc2ccc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2F)cc(OC)c1,VIWIQDLOZGXVRJ-UHFFFAOYSA-N
-rxn:4:221121:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2C)CC1,GEDGHRVLGNEJNB-UHFFFAOYSA-N
-rxn:4:221121:223741,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(CN6CCCc7ccccc76)ccc5F)ccc43)CC2)CC1,VJDXFVYPUHRKQE-UHFFFAOYSA-N
-rxn:4:221121:223794,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(C(F)(F)F)c5)ccc43)CC2)CC1,LPVGJQBUDFHWBT-UHFFFAOYSA-N
-rxn:4:221121:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)CC1,PPWSSPGIPWLQNO-UHFFFAOYSA-N
-rxn:4:221121:223877,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C)c1OCc1cccc(Cl)c1,XTNKAIHAJUYZSX-UHFFFAOYSA-N
-rxn:4:221121:223911,CCOC(=O)C1(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CCOCC1,SQHQLJMCJIHFTH-UHFFFAOYSA-N
-rxn:4:221121:223952,CN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)CC1,XEVLSAJZMIHQDW-UHFFFAOYSA-N
-rxn:4:221121:224034,CCCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,OCEXSMGTDJCMQJ-UHFFFAOYSA-N
-rxn:4:221121:224092,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C#N)ccc5OCc5ccccc5)ccc43)CC2)CC1,SRJHGDYMZRBOPO-UHFFFAOYSA-N
-rxn:4:221121:224260,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc(C(F)(F)F)cc6)c5)ccc43)CC2)CC1,KOEKUDQDIFQJNT-UHFFFAOYSA-N
-rxn:4:221121:224301,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(F)c5F)ccc43)CC2)CC1,OMNLNUGFXYFOGF-UHFFFAOYSA-N
-rxn:4:221121:224312,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(C(=O)N6CCN(C)CC6)c5)ccc43)CC2)CC1,VNUYZBQCWVAZKZ-UHFFFAOYSA-N
-rxn:4:221121:224381,Cc1cn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2C(F)(F)F)cn1,LELXNAQLEICLBM-UHFFFAOYSA-N
-rxn:4:221121:224493,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CO[Si](C)(C)C(C)(C)C)cc5)ccc43)CC2)CC1,UNJNYVAYFBZMTB-UHFFFAOYSA-N
-rxn:4:221121:224547,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccc(F)cc6)cc5)ccc43)CC2)CC1,BZJMNGTWHNIDGS-UHFFFAOYSA-N
-rxn:4:221121:224584,CC1CCN(C(=O)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,STSISQKHRMDAKQ-UHFFFAOYSA-N
-rxn:4:221121:225082,Cc1nc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)cc2n1C(C)C,BZXSTILQWXGNGT-UHFFFAOYSA-N
-rxn:4:221121:225088,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCCN(C)C,OTMNQNCCQRMXFI-UHFFFAOYSA-N
-rxn:4:221121:225392,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Cc6ccccc6)c5)ccc43)CC2)CC1,HALURPUGBAOTLP-UHFFFAOYSA-N
-rxn:4:221121:225452,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC6C=CCCC6)cc5)ccc43)CC2)CC1,HQUXCHZJNSQBHE-UHFFFAOYSA-N
-rxn:4:221121:225487,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cc(-c6ccccc6)c5)ccc43)CC2)CC1,QQAJSUDBEKKFJP-UHFFFAOYSA-N
-rxn:4:221121:225619,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)cc5OC5CCCC5)ccc43)CC2)CC1,KHXRPWVZSBZHTL-UHFFFAOYSA-N
-rxn:4:221121:225707,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc6c([N+](=O)[O-])cccc56)ccc43)CC2)CC1,NQWDRIRDEOOULD-UHFFFAOYSA-N
-rxn:4:221121:225764,CCCOc1c(F)c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,LHSSQQIJYKIIJD-UHFFFAOYSA-N
-rxn:4:221121:225845,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccccn6)c(Cl)c5)ccc43)CC2)CC1,CEBSCOSNMBNBOG-UHFFFAOYSA-N
-rxn:4:221121:225906,CON(C)C(=O)c1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QMVXVUQOPUBEMY-UHFFFAOYSA-N
-rxn:4:221121:226037,COc1c(C(F)(F)F)ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,IHGQOIKZONGMTM-UHFFFAOYSA-N
-rxn:4:221121:226548,COC(=O)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)c1,RHZXZYNWWPVPGZ-UHFFFAOYSA-N
-rxn:4:221121:226571,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(CC6CCOCC6)c5)ccc43)CC2)CC1,MFUFPVIKTXEDGG-UHFFFAOYSA-N
-rxn:4:221121:226595,CC(C)Oc1c(Cl)ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,AFEPKRPBQZTZCE-UHFFFAOYSA-N
-rxn:4:221121:226668,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(-n6ccnc6)c5)ccc43)CC2)CC1,FWFQKSGIWFGZSM-UHFFFAOYSA-N
-rxn:4:221121:226695,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cncs6)cc5F)ccc43)CC2)CC1,CECNSLHMEMBPPD-UHFFFAOYSA-N
-rxn:4:221121:226909,CCC/C=C/c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,JVGGTFVTIBRNCO-AATRIKPKSA-N
-rxn:4:221121:227403,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCCC6)s5)ccc43)CC2)CC1,UEGJXLAAQJUQIN-UHFFFAOYSA-N
-rxn:4:221121:227582,CCOc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc(F)c1F,IXUCITPQIWIGMO-UHFFFAOYSA-N
-rxn:4:221121:227587,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)c1OC,CULXZGDJLSWGSB-UHFFFAOYSA-N
-rxn:4:221121:227628,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCC6)nc5Cl)ccc43)CC2)CC1,RGNSEHWXAYIGDR-UHFFFAOYSA-N
-rxn:4:221121:227736,Cc1ncc(C(F)(F)F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,KWDQOCSKTCTPCR-UHFFFAOYSA-N
-rxn:4:221121:227759,COc1c(F)cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1F,PMSYQRJAGPIMDP-UHFFFAOYSA-N
-rxn:4:221121:227779,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc([N+](=O)[O-])cc(F)c5F)ccc43)CC2)CC1,ZGIVXBZHYFPYGA-UHFFFAOYSA-N
-rxn:4:221121:227903,CCN(C)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,KUJPQIFJAYTMHR-UHFFFAOYSA-N
-rxn:4:221121:227952,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)cc1C#N,RJGLYWXGJPZWNZ-UHFFFAOYSA-N
-rxn:4:221121:228046,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc6c5ccn6C)ccc43)CC2)CC1,DEZPBDQGVCJQOM-UHFFFAOYSA-N
-rxn:4:221121:228202,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(N(C)C)c5)ccc43)CC2)CC1,WSVXAHJHJLCMKX-UHFFFAOYSA-N
-rxn:4:221121:228267,COc1c(C)ccc(F)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,IVMTYFKMAUJDEM-UHFFFAOYSA-N
-rxn:4:221121:228478,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(C(F)(F)F)c5)ccc43)CC2)CC1,DDWCNVWNZAYSJD-UHFFFAOYSA-N
-rxn:4:221121:228544,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CC#N)cc5)ccc43)CC2)CC1,PQPFVBAOMQUQGB-UHFFFAOYSA-N
-rxn:4:221121:228846,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)c1F,BCEQYHSEGFYKOT-UHFFFAOYSA-N
-rxn:4:221121:228907,COc1nccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1Cl,GVMXBCUYJYVIIN-UHFFFAOYSA-N
-rxn:4:221121:228926,CSc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,BTZBLBXLYYXVHY-UHFFFAOYSA-N
-rxn:4:221121:229226,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C#N)s5)ccc43)CC2)CC1,KWPCQZLQSNEIMC-UHFFFAOYSA-N
-rxn:4:221126:222633,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)nnn3c3ccsc23)C1,OFHUVXPGBNEJHI-UHFFFAOYSA-N
-rxn:4:221154:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(c4cccnc4C#N)C3)nc2)c1,XILINVXFMVAEQA-UHFFFAOYSA-N
-rxn:4:221154:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cccnc5C#N)C4)nc3)cc2F)CC1,LDSHBFZRFLLRLI-UHFFFAOYSA-N
-rxn:4:221157:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,ZIBGUKRHQPFIHS-UHFFFAOYSA-N
-rxn:4:221164:222633,COc1ccnc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)n1,JIEKOWZAMJUYQC-UHFFFAOYSA-N
-rxn:4:221166:222638,CSc1ncc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)c(N2CCC(COc3cnccn3)CC2)n1,SEUSNXALALXAQO-UHFFFAOYSA-N
-rxn:4:221169:223902,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cc2F)CC1,FYZGRDJAWVXTPQ-UHFFFAOYSA-N
-rxn:4:221171:222632,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1F,IJRPEDDPRBTEDW-UHFFFAOYSA-N
-rxn:4:221171:222638,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)C2)c1F,XHOWDHJQJIDAPY-UHFFFAOYSA-N
-rxn:4:221175:228753,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(F)c4C#N)cn3)C2)C(=O)C1=O,SRMCZYSWQANEJM-UHFFFAOYSA-N
-rxn:4:221175:228896,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)c(F)c4)cn3)C2)C(=O)C1=O,IOBWUXDWLKQCHG-UHFFFAOYSA-N
-rxn:4:221175:228905,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)c(Cl)c4)cn3)C2)C(=O)C1=O,XZWNOBOFCRKFTG-UHFFFAOYSA-N
-rxn:4:221176:222633,Cc1nc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)cc(C(F)(F)F)n1,LTMSHUGZAJQXIU-UHFFFAOYSA-N
-rxn:4:221176:222638,Cc1nc(N2CCCC(COc3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)C2)cc(C(F)(F)F)n1,LSUSCQYXZTXZAE-UHFFFAOYSA-N
-rxn:4:221180:223690,COC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)cn1S(=O)(=O)c1ccc(C)cc1,OHAGJBLQLJYZKC-UHFFFAOYSA-N
-rxn:4:221180:224718,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)nn1C,LJPOEQWRHOQCKV-UHFFFAOYSA-N
-rxn:4:221191:222638,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)C2)nc(C2CC2)n1,NQYCARDOJHUZQS-UHFFFAOYSA-N
-rxn:4:221195:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)ccc2F)CC1,XFKHEJKHOVKYPU-UHFFFAOYSA-N
-rxn:4:221199:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)n3)cc2)cc1,DYJZBRLYJZMYFK-UHFFFAOYSA-N
-rxn:4:221199:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCN(c6ccccn6)CC5)n4)cc3)c2)CC1,YDAOOTMKIOWFTG-UHFFFAOYSA-N
-rxn:4:221202:222457,O=C(Nc1cccc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)c1)c1cccc(C(F)(F)F)c1,AVLZOMXKDSBIEJ-UHFFFAOYSA-N
-rxn:4:221202:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)cc1,LADKGSAGCBAZMN-UHFFFAOYSA-N
-rxn:4:221205:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,NIGHIGHPOIVDOE-UHFFFAOYSA-N
-rxn:4:221207:222638,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)CC2)n1,FNZYOSNZDAYVPM-UHFFFAOYSA-N
-rxn:4:221207:224198,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,KKZKIQDRHJWVPX-UHFFFAOYSA-N
-rxn:4:221208:223239,Cc1cc(N2CCN(CCc3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)nc(N2CCOCC2)n1,LVWNWYUWDJVVQO-UHFFFAOYSA-N
-rxn:4:221221:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)c1,PAVDEIUKQIFMHD-UHFFFAOYSA-N
-rxn:4:221232:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)C1,AWVIXJJPUQHIDM-UHFFFAOYSA-N
-rxn:4:221233:222540,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)CC3)ccc2n1,UPPNSOZIYUGUST-UHFFFAOYSA-N
-rxn:4:221243:222633,CN(C(=O)Cn1ncn2nc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)cc2c1=O)C1CCCCC1,LGMCCLRLXAWJOW-UHFFFAOYSA-N
-rxn:4:221243:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4cc5c(=O)n(CC(=O)N(C)C6CCCCC6)ncn5n4)cc3)cc2)CC1,AHGBIRTXDRJTFA-UHFFFAOYSA-N
-rxn:4:221245:223812,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nn2c1C,GNXLYBVASOYTKU-UHFFFAOYSA-N
-rxn:4:221249:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c1,HHCCWRWUEXEWQE-UHFFFAOYSA-N
-rxn:4:221257:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CC(=O)OC)c(C)cn56)n(C)c4=O)cc3)c2)CC1,VUOFVEZFWCJTHN-UHFFFAOYSA-N
-rxn:4:221275:224762,CC1CN(c2ccc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,VRHRGTBJSDRGDF-UHFFFAOYSA-N
-rxn:4:221278:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(SCC(=O)N4CCN(c5ccccc5)CC4)n4c5ccccc5nc4c3c2)c1,JOGCGJNDBNUORK-UHFFFAOYSA-N
-rxn:4:221347:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)cc1,VARUCRQLLYQDLU-UHFFFAOYSA-N
-rxn:4:221353:224182,Cc1cc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)ccc1OCCN1CCOCC1,IDDJVSPPKLTNSM-UHFFFAOYSA-N
-rxn:4:221360:222522,COc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,DXWPPRNLHYSSOT-UHFFFAOYSA-N
-rxn:4:221360:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,JJAMZEDKBPBXJQ-UHFFFAOYSA-N
-rxn:4:221365:222540,Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,UQNXEFMWZPZBTA-UHFFFAOYSA-N
-rxn:4:221372:222772,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)NC5CCCC5)c4)o3)CC2)c1,DKXWJWDAOCZZRK-UHFFFAOYSA-N
-rxn:4:221373:223753,Cc1ccc(-c2cnc(OC3CCCN(C(=O)c4c(C)n[nH]c4C)C3)nc2)cc1OCCCN1CCN(C)CC1,WZEHIDBYNIKDMP-UHFFFAOYSA-N
-rxn:4:221374:223533,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1=O,IKVMONRIPMSXKS-UHFFFAOYSA-N
-rxn:4:221375:223753,Cc1ccc(-c2cnc(OCC3CCCN(c4cc(=O)n(C)cn4)C3)nc2)cc1OCCCN1CCN(C)CC1,WNCXGESPLQGLDA-UHFFFAOYSA-N
-rxn:4:221381:223085,Cc1nc(N2CCN(C(=O)c3cncc(-c4cnc(Cl)c(N5CCC(O)C5)c4)c3)CC2)cc(C(F)(F)F)n1,SCBPYEWSROCWAU-UHFFFAOYSA-N
-rxn:4:221387:222634,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)c1C,JNAHHWVQXKPETL-UHFFFAOYSA-N
-rxn:4:221395:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)c1,HFVLSFCRNALGNA-UHFFFAOYSA-N
-rxn:4:221405:222633,CN(C)c1cc(N2CCN(Cc3ccccc3-c3ccc(C(=O)NCCN4CCCC4)cc3)CC2)ncn1,NRIXLFGVECDKFU-UHFFFAOYSA-N
-rxn:4:221407:222633,CN(C)c1ccc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)nn1,AOHHAPFZBCLJKD-UHFFFAOYSA-N
-rxn:4:221409:222633,CN(C)c1nccc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)n1,GABIGSLWOHXPLZ-UHFFFAOYSA-N
-rxn:4:221410:222633,CN(C)c1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)ncn1,XCXHWFDRGRZUQJ-UHFFFAOYSA-N
-rxn:4:221413:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc1,PEGIYFOEIOZXIN-UHFFFAOYSA-N
-rxn:4:221415:225723,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)CC2)n1,XRRYQVNRITZODU-UHFFFAOYSA-N
-rxn:4:221416:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)cc1,MALTYHOJHCIEJX-UHFFFAOYSA-N
-rxn:4:221421:225723,CN(C)CCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1Cl,SEHAFTWTQCZNMJ-UHFFFAOYSA-N
-rxn:4:221424:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2C1,QYFJWCWZMBAGNR-UHFFFAOYSA-N
-rxn:4:221426:225909,CCOc1ccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c(C(F)(F)F)c1,VMCGLUBDNVZKMJ-UHFFFAOYSA-N
-rxn:4:221428:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)s1,BBWGYFYXJMPHGQ-UHFFFAOYSA-N
-rxn:4:221429:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1,MDSYKKDKDWRYOU-UHFFFAOYSA-N
-rxn:4:221429:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)s1,KIPCJHJKTHWJHY-UHFFFAOYSA-N
-rxn:4:221429:223755,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cc2F)CC1,QEJNRNJDANLXEX-UHFFFAOYSA-N
-rxn:4:221432:225640,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(N5CCCCC5C)c4)c3)CC2)n1,FKYPBZJIKHRYPA-UHFFFAOYSA-N
-rxn:4:221432:226438,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CCCC5)cc4F)c3)CC2)n1,DWAZKNKGNSIBPI-UHFFFAOYSA-N
-rxn:4:221433:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,FDPOHFCTIZHORG-UHFFFAOYSA-N
-rxn:4:221437:224612,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,PTIQQNSFCFOFHY-UHFFFAOYSA-N
-rxn:4:221438:223279,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)o3)CC2)nn1,WQXWTRXTTOSKIS-UHFFFAOYSA-N
-rxn:4:221440:222540,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)n1,YVFQKRCJGOVGQV-UHFFFAOYSA-N
-rxn:4:221440:224612,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)CC2)n1,PGPYNVAUGUXNSN-UHFFFAOYSA-N
-rxn:4:221440:225527,CCN(CC)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1,VMIOJCLRXAXLAA-UHFFFAOYSA-N
-rxn:4:221440:226336,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)c(C5CC5)cc4Cl)cc3)CC2)n1,YBYHRIHIBWIYGK-UHFFFAOYSA-N
-rxn:4:221441:222684,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)n1,VACAWTMURNNKJU-UHFFFAOYSA-N
-rxn:4:221441:223895,CCN1CCN(CCOc2ccc(-c3cccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)c3)cc2)CC1,SKNUSCPUVFVDAZ-UHFFFAOYSA-N
-rxn:4:221446:223999,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2)n1,GPSMRSMMOTZFCV-UHFFFAOYSA-N
-rxn:4:221447:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(CN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)cc2)cc1,ZHGUNKAGLLYLIE-UHFFFAOYSA-N
-rxn:4:221447:222866,Cc1cc(N2CCN(Cc3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,YZDLFHBBKNSYJV-UHFFFAOYSA-N
-rxn:4:221447:222888,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CN5CCNCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,HDQKYOBNTBZFRZ-UHFFFAOYSA-N
-rxn:4:221447:223533,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)CC2)nc(N2CCOCC2)n1,QWDHTLWKKRRCPP-UHFFFAOYSA-N
-rxn:4:221447:224008,Cc1cc(N2CCN(Cc3ccc(-c4cc(C(=O)N5CCOCC5)cc([N+](=O)[O-])c4)cc3)CC2)nc(N2CCOCC2)n1,BPBGVNWODKBLNJ-UHFFFAOYSA-N
-rxn:4:221447:224571,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,ZSVROPSVQWZAQH-UHFFFAOYSA-N
-rxn:4:221447:225047,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCC(C)CC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,AJYTXRQDDVIWRD-UHFFFAOYSA-N
-rxn:4:221447:225207,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4C)cc3)CC2)nc(N2CCOCC2)n1,NXEWXOACLUSGTL-UHFFFAOYSA-N
-rxn:4:221447:225395,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)cc(C(C)(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,STRVVBRRMCNBJM-UHFFFAOYSA-N
-rxn:4:221447:225634,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCCCC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,KUBWEVKDRHNRHT-UHFFFAOYSA-N
-rxn:4:221447:225756,COC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(C(C)C)cn1,LKEWRCVTYYVCSQ-UHFFFAOYSA-N
-rxn:4:221447:225775,COC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(OC)c1C,OLNJUNKUVFFKFF-UHFFFAOYSA-N
-rxn:4:221447:226513,COC(=O)c1cc(C#N)cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,SQGYCNZGZXKDPC-UHFFFAOYSA-N
-rxn:4:221447:226897,Cc1cc(N2CCN(Cc3ccc(-c4cnc(OCC(F)(F)F)nc4)cc3)CC2)nc(N2CCOCC2)n1,KPROKGWCEMLNRC-UHFFFAOYSA-N
-rxn:4:221449:222969,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC5CC5)cc4)cc3)CC2)n1,TWKUUMBPFFFYGB-UHFFFAOYSA-N
-rxn:4:221449:223077,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)CC2)n1,WROZXKYEUXQUIH-UHFFFAOYSA-N
-rxn:4:221449:223279,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YHSNBDHWKFOOHY-UHFFFAOYSA-N
-rxn:4:221449:224150,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(C)c(OCc5ccccc5)c4)cc3)CC2)n1,IMDOIFNWXWYKKO-UHFFFAOYSA-N
-rxn:4:221453:223753,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)CC2)n1,SVSNBBDUEGFXNV-UHFFFAOYSA-N
-rxn:4:221455:222950,CONS(=O)(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)ccc1OC,SQILJDVKUVJIQV-UHFFFAOYSA-N
-rxn:4:221456:222841,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)n1,NHKUNZOYNSNUST-UHFFFAOYSA-N
-rxn:4:221456:225871,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)CC2)n1,OJIOKOYTPWSMOE-UHFFFAOYSA-N
-rxn:4:221495:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc3[nH]cc(C(=O)C(=O)N4CCN(c5ncccn5)CC4)c3c2)cc1,HBNWYNJJWSNBGU-UHFFFAOYSA-N
-rxn:4:221507:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)c1,APQLXTOWZWDUSJ-UHFFFAOYSA-N
-rxn:4:221507:224825,CON(C)C(=O)c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc([N+](=O)[O-])c1,PUNDZVYFIKKBRY-UHFFFAOYSA-N
-rxn:4:221521:223993,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cn4)C3)n1)CCC2,JJLCSKPPDCSPGE-UHFFFAOYSA-N
-rxn:4:221535:222633,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)n(C)c1=O,GYQRHKUJXPXZKC-UHFFFAOYSA-N
-rxn:4:221538:222684,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,ICDGATFMINALIF-UHFFFAOYSA-N
-rxn:4:221545:223755,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cc4)c(=O)n(C)c3nc2n1CCO,SGQONIHHLBABRS-UHFFFAOYSA-N
-rxn:4:221564:225270,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCC)c(C(F)(F)F)c3)cc2)n(C)c1=O,OCYGOIOKAYXHCI-UHFFFAOYSA-N
-rxn:4:221569:222684,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c(=O)n2C)cc1,JUTYDHLRTNUOKM-UHFFFAOYSA-N
-rxn:4:221570:222684,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)c(=O)n2C)c1,IGXIJAWSBIVHEC-UHFFFAOYSA-N
-rxn:4:221639:223505,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)n1,WUCVWFAXYUOCOC-UHFFFAOYSA-N
-rxn:4:221723:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)c1,MYYNXKGUTCCZOQ-UHFFFAOYSA-N
-rxn:4:221726:222583,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,IXSAWPQORVZXAI-UHFFFAOYSA-N
-rxn:4:221728:222540,Cn1nc(C2CCN(c3nc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4s3)CC2)n(C2CC2)c1=O,KFDUZTMJNTVDPV-UHFFFAOYSA-N
-rxn:4:221736:224252,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(C(=O)N7CCCC(C)C7)c(F)c6)c5)CC4C3)n1)CCC2,YDCWUHKYDDMGLT-UHFFFAOYSA-N
-rxn:4:221764:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(C7CCCC7)c(C)cn56)n(C)c4=O)cc3)ccc2F)CC1,ZSAFHCIXVDPYIR-UHFFFAOYSA-N
-rxn:4:221780:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6C5CCCCC5)n(C)c4=O)cc3)cc2)CC1,GLDMGLMHDMYWFY-UHFFFAOYSA-N
-rxn:4:221792:222633,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)c(=O)n3C)n2C1,ZWSLMGZSXMLBFZ-UHFFFAOYSA-N
-rxn:4:221836:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,IRPBIKZMJHDVOR-UHFFFAOYSA-N
-rxn:4:221914:222905,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cccnc4NC(=O)OC(C)(C)C)cc3)n2)CC1,ULNYVNHKSVJZJJ-UHFFFAOYSA-N
-rxn:4:221916:222540,CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)CC3)nn2)n1,MIDLLYGTWHWDCH-UHFFFAOYSA-N
-rxn:4:221920:226486,CCOc1ccc(-c2ccc(OCC(=O)OC)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,WFPHREBTJDXRLP-UHFFFAOYSA-N
-rxn:4:221929:226844,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JBGBFLNIVNYVMQ-UHFFFAOYSA-N
-rxn:4:221935:222540,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,PRZSOXBYBMZWOJ-UHFFFAOYSA-N
-rxn:4:221940:222633,Cn1cnnc1CN1CCC(COc2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,QRFBRYZDNGIKRO-UHFFFAOYSA-N
-rxn:4:221940:223595,Cn1cnnc1CN1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,CVYUTBJOUTVYPS-UHFFFAOYSA-N
-rxn:4:221952:224198,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)c(F)c2)CC1,UQEHAEPVJQSWTB-UHFFFAOYSA-N
-rxn:4:221963:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CCN4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)ccc2F)CC1,AZLIUKLFJCEYIM-UHFFFAOYSA-N
-rxn:4:221965:222892,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)cc5OC)cc4)CC3)nn2)CC1,RICLRQUZTLRDKD-UHFFFAOYSA-N
-rxn:4:221967:222708,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(S(=O)(=O)NC(=O)CC(C)C)cc3)cc2)c1=O,KFLATGGLTLOYCL-UHFFFAOYSA-N
-rxn:4:221977:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(OCC3CCCN(c4nccn5nc(C6CC6)cc45)C3)nc2)cc1,PIJWQRDTADDFEK-UHFFFAOYSA-N
-rxn:4:221978:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)cnc2C1,NYPAOKPGJVVHCY-UHFFFAOYSA-N
-rxn:4:221982:222633,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cc5)no4)C3C2=O)cc1,KAGOMBKUQVXIQD-UHFFFAOYSA-N
-rxn:4:221982:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,OFQUBXDHTXIHBS-UHFFFAOYSA-N
-rxn:4:221986:223960,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(F)c(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,ZMECSCIQBDBQEV-UHFFFAOYSA-N
-rxn:4:221989:222540,Cc1cn2c3c(=O)n(Cc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN(C)C,NGOPOXIELZOOSN-UHFFFAOYSA-N
-rxn:4:221989:222633,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)c(=O)n(C)c3nc2n1CCN(C)C,WSQCWHFDLHDGDN-UHFFFAOYSA-N
-rxn:4:222002:222633,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2C#N)CC1,CINYNXKWSZTYSW-UHFFFAOYSA-N
-rxn:4:222021:222638,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)CC2)c1F,IMMLCHRVVUJKQZ-UHFFFAOYSA-N
-rxn:4:222031:222633,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(C(=O)NCCN4CCCC4)cc3)CC2)n1,GNCKVRHYRQUNTC-UHFFFAOYSA-N
-rxn:4:222041:222638,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)NC(=O)OC(C)(C)C)c5)o4)CC3)nn2)n1,HVPQEANVVBKSNT-UHFFFAOYSA-N
-rxn:4:222044:223568,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)cc4)CC3)nn2)n1,HDBKXQVUHDVKCY-UHFFFAOYSA-N
-rxn:4:222054:222633,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)o4)CC3)nn2)CC1,WFEMTOWQNSSEKX-UHFFFAOYSA-N
-rxn:4:222054:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c1,IUKWUDWRSPDNFE-UHFFFAOYSA-N
-rxn:4:222056:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c1,QNJJCLBOECZKKV-UHFFFAOYSA-N
-rxn:4:222062:223092,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N(C)C)c4)cc3)CC2)n1,NJFJRORPMIIVGH-UHFFFAOYSA-N
-rxn:4:222075:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,IEIGXNSYJZPDLR-UHFFFAOYSA-N
-rxn:4:222075:223712,COc1ccc(-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,BTPTZNZEXKOZDM-UHFFFAOYSA-N
-rxn:4:222080:222583,Cc1nnc2ccc(N3CC(N(C)C(=O)c4cccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)c4)C3)nn12,ZCFJTJXYHORTRD-UHFFFAOYSA-N
-rxn:4:222089:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VXRSZUSAPUHTBZ-UHFFFAOYSA-N
-rxn:4:222102:222631,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)nc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,MKMZZQNBYOAGRV-UHFFFAOYSA-N
-rxn:4:222102:222701,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,VZGWVHBWZVUQET-UHFFFAOYSA-N
-rxn:4:222102:222799,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)c(C)c6)cc5)no4)C3C2=O)cc1,LBONUIDPXSFVFF-UHFFFAOYSA-N
-rxn:4:222102:222852,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,LCZKZJIWYAGUBI-UHFFFAOYSA-N
-rxn:4:222102:223497,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O[Si](C)(C)C(C)(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,BHOJJBBYUDRUBH-UHFFFAOYSA-N
-rxn:4:222102:223653,COc1cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c2cc1Cl,YYVJAGFCNXCZRI-UHFFFAOYSA-N
-rxn:4:222102:223771,COc1ccc2c(c1)cc(-c1ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc1)n2C(=O)OC(C)(C)C,ZJLGFEFMSVGFEU-UHFFFAOYSA-N
-rxn:4:222102:223823,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1,QQIQUKOMPYWGAV-UHFFFAOYSA-N
-rxn:4:222102:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)ccc2C)CC1,ZLTMSZXGGMYSHJ-UHFFFAOYSA-N
-rxn:4:222102:223904,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7CN(C(=O)OC(C)(C)C)C7)c6)cc5)no4)C3C2=O)cc1,NLZPQFYBRZKEEL-UHFFFAOYSA-N
-rxn:4:222102:224155,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,JYFWHVBHVCXSER-UHFFFAOYSA-N
-rxn:4:222102:224177,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)c(OC(C)C)c(OCC(C)C)c6)cc5)no4)C3C2=O)cc1,IBXYOVFPMZDATE-UHFFFAOYSA-N
-rxn:4:222102:224703,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,PONRSYMLNWCVPO-UHFFFAOYSA-N
-rxn:4:222102:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,UUQNTJNFLWOJBW-UHFFFAOYSA-N
-rxn:4:222102:224766,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,SEEGONNPWICAIV-UHFFFAOYSA-N
-rxn:4:222102:224934,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCC7)c6)cc5)no4)C3C2=O)cc1,TTWIUZNBTDNOGE-UHFFFAOYSA-N
-rxn:4:222102:224949,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1CN1CCCC1,HPAVHTLYQJGSBE-UHFFFAOYSA-N
-rxn:4:222102:225268,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,GJWSKQRSWYNNOX-UHFFFAOYSA-N
-rxn:4:222103:222633,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cc5)C(=O)C43)n2)cc1,BOOAYAVVKMUJCQ-UHFFFAOYSA-N
-rxn:4:222108:222580,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)c7ccccc67)cc5)no4)C3C2=O)cc1F,DQRYVYBZLSPEOO-UHFFFAOYSA-N
-rxn:4:222108:222635,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc([C@H](C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,CVKWXVOXDIJHAD-SIVPSFGVSA-N
-rxn:4:222108:222695,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC7CCCC7)c6)cc5)no4)C3C2=O)cc1F,JLUIPPYNUHEXOD-UHFFFAOYSA-N
-rxn:4:222108:222859,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCN(C)C)cc6)cc5)no4)C3C2=O)cc1F,WPHKSPCFZPZNCL-UHFFFAOYSA-N
-rxn:4:222108:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,MTBFHNRUTDAYMM-UHFFFAOYSA-N
-rxn:4:222108:222938,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,ZEECTQGFJDOLQG-UHFFFAOYSA-N
-rxn:4:222108:222961,CCCCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,MCSVFGXQCSGMSI-UHFFFAOYSA-N
-rxn:4:222108:222982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CC[C@@H](O)C7)cc6)cc5)no4)C3C2=O)cc1F,WIZAXJNLYSUDHN-CGRGFOQSSA-N
-rxn:4:222108:222988,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,UUHRVUWCEXSUER-UHFFFAOYSA-N
-rxn:4:222108:223039,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1F,DOTPEWQXSDUVRC-UHFFFAOYSA-N
-rxn:4:222108:223047,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1F,DIVKRRHJYYGKAS-UHFFFAOYSA-N
-rxn:4:222108:223062,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1F,JMIWJWXXXFHTNY-UHFFFAOYSA-N
-rxn:4:222108:223646,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCN(C(=O)OC(C)(C)C)C7)cc6)cc5)no4)C3C2=O)cc1F,XXPCZMKHURICLC-UHFFFAOYSA-N
-rxn:4:222108:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,QOIJQMWBJAHKDZ-UHFFFAOYSA-N
-rxn:4:222108:224125,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C8CC8)CC7)cc6)cc5)no4)C3C2=O)cc1F,QVFVSTPKLAQEQP-UHFFFAOYSA-N
-rxn:4:222108:224127,CCN1CCN(C(C)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2)CC1,USGGKHQWTMABDH-UHFFFAOYSA-N
-rxn:4:222108:224617,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,BMIMZWKDKMWGMR-UHFFFAOYSA-N
-rxn:4:222108:225110,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1F,HMKAHQOEOCAKTA-UHFFFAOYSA-N
-rxn:4:222108:225178,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,YHDPMPVPFJQDBN-UHFFFAOYSA-N
-rxn:4:222108:225181,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6F)cc5)no4)C3C2=O)cc1F,QHPFWLNXVQCDTQ-UHFFFAOYSA-N
-rxn:4:222108:225274,COCCOc1c(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C)c1F,HSYJRSOCHQBHJE-UHFFFAOYSA-N
-rxn:4:222108:225299,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(S(=O)(=O)N(C)C)c(C)c6)cc5)no4)C3C2=O)cc1F,BMWCHQHBYQXPIL-UHFFFAOYSA-N
-rxn:4:222108:225319,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,WVSZYXHQKLUFAS-UHFFFAOYSA-N
-rxn:4:222108:225384,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1F,WKFHWGDWOARSAR-UHFFFAOYSA-N
-rxn:4:222108:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,UKJFQTOUVVMSCK-UHFFFAOYSA-N
-rxn:4:222108:225453,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(SC7CCCCC7)c6)cc5)no4)C3C2=O)cc1F,MMRLSRUHICVTFK-UHFFFAOYSA-N
-rxn:4:222108:225520,CCCCOC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,IZVOXOAFOJDNER-UHFFFAOYSA-N
-rxn:4:222108:225595,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1F,ACLKUWHGTQFYKL-UHFFFAOYSA-N
-rxn:4:222108:225824,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,DERNQGAYCTXAJM-UHFFFAOYSA-N
-rxn:4:222108:226026,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,MXCCQJGHWLDGAU-UHFFFAOYSA-N
-rxn:4:222108:226031,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)cc6C(F)F)cc5)no4)C3C2=O)cc1F,NFONQCKLKXOMII-UHFFFAOYSA-N
-rxn:4:222108:226051,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(OC(F)(F)F)ccc(F)c6F)cc5)no4)C3C2=O)cc1F,OGWUHIJTRDJTNG-UHFFFAOYSA-N
-rxn:4:222120:222634,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1C,DWZMWVOEBXWAQN-UHFFFAOYSA-N
-rxn:4:222120:222681,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNC(=O)OC(C)(C)C)c6F)cc5)no4)C3C2=O)cc1C,OGGWRADJMNJRHV-UHFFFAOYSA-N
-rxn:4:222120:222795,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1C,VEWOELDYWANANK-UHFFFAOYSA-N
-rxn:4:222120:222977,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)ccc6C)cc5)no4)C3C2=O)cc1C,ABIAANHZLITLKP-UHFFFAOYSA-N
-rxn:4:222120:223500,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1C,GBERKOHYAAWANC-UHFFFAOYSA-N
-rxn:4:222120:223603,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)c(OC(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1C,WZVVHIYBSFIXAE-UHFFFAOYSA-N
-rxn:4:222120:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)C1,DLZALVNUFTVQRU-UHFFFAOYSA-N
-rxn:4:222120:224015,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCOCC7)c(C)cc6F)cc5)no4)C3C2=O)cc1C,MTJCNPDDWXPNRM-UHFFFAOYSA-N
-rxn:4:222120:224125,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C8CC8)CC7)cc6)cc5)no4)C3C2=O)cc1C,KKVZMVGKOGHXRU-UHFFFAOYSA-N
-rxn:4:222120:224312,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1C,VLQLLULXMOYSCF-UHFFFAOYSA-N
-rxn:4:222120:224403,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,DGGBOBRYAVJSIT-UHFFFAOYSA-N
-rxn:4:222120:224734,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)cc6OCC6CC6)cc5)no4)C3C2=O)cc1C,RVVBQMWDRLWLOX-UHFFFAOYSA-N
-rxn:4:222120:224845,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1C,WACIDDNWDDWBRF-UHFFFAOYSA-N
-rxn:4:222120:224937,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)CC1,ULJCCOIHNYCSMZ-UHFFFAOYSA-N
-rxn:4:222120:224962,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COC6CCOCC6)cc5)no4)C3C2=O)cc1C,HFMOCVYDEPEPIF-UHFFFAOYSA-N
-rxn:4:222120:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1C,SXYSREIBMVCJBC-UHFFFAOYSA-N
-rxn:4:222120:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,XPDLXHQYETYWPU-UHFFFAOYSA-N
-rxn:4:222120:225338,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(COCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,MCYYMARAWIYJFL-UHFFFAOYSA-N
-rxn:4:222120:225366,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(F)F)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,FOWKXVDWVGZJSC-UHFFFAOYSA-N
-rxn:4:222120:225408,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c8c(c6)CCCN8CCC7)cc5)no4)C3C2=O)cc1C,PKVSAHJDYRTLPY-UHFFFAOYSA-N
-rxn:4:222120:225507,COC(=O)C1CCc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)ccc21,JIZVVWWUCZBHEG-UHFFFAOYSA-N
-rxn:4:222120:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1,IHJRBAJACUBRTI-UHFFFAOYSA-N
-rxn:4:222120:225732,CCOC(=O)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1F,FHKGKBIYDRSZCF-UHFFFAOYSA-N
-rxn:4:222120:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,UQZCMNAPKWZPIC-UHFFFAOYSA-N
-rxn:4:222120:225750,CCN(CC)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(F)c1F,YCKVFHCDFBZPER-UHFFFAOYSA-N
-rxn:4:222120:225946,CC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,LWGOJWDNKLCWIN-UHFFFAOYSA-N
-rxn:4:222120:225992,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(CC(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,FMFVOAASRYHANL-UHFFFAOYSA-N
-rxn:4:222120:226018,CSc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1OC(F)(F)F,XWLMZAJCQLIJFT-UHFFFAOYSA-N
-rxn:4:222120:226032,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)c(C(F)(F)F)c1,YQIRLYDWSYXCMB-UHFFFAOYSA-N
-rxn:4:222120:226428,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7C)cs6)cc5)no4)C3C2=O)cc1C,AEEARUGDGXZDLL-UHFFFAOYSA-N
-rxn:4:222126:222684,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,VCQYZXNSIASIDD-UHFFFAOYSA-N
-rxn:4:222136:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCN(CC)CC4)c4ccccc45)cc3)c2)CC1,GYNODHJHRZEGAM-UHFFFAOYSA-N
-rxn:4:222136:224391,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)cc4)nnn3c3ccccc23)CC1,HADDJXGSEKVLGL-UHFFFAOYSA-N
-rxn:4:222159:223755,CCc1cc(N2CCN(c3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nc(C)n1,IUFSFXAZAYOMQD-UHFFFAOYSA-N
-rxn:4:222195:222633,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)CC1,WOIPOYZIKONMMD-UHFFFAOYSA-N
-rxn:4:222249:222633,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C(=O)NCCN7CCCC7)cc6)o5)CC4)ncnc32)cc1,ZNAYEKPUQYMCEN-UHFFFAOYSA-N
-rxn:4:222251:222540,CN(c1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1C#N)C1CN(c2nccnc2C#N)C1,XBJBOHQUXGAUAR-UHFFFAOYSA-N
-rxn:4:222251:222633,CN(c1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1C#N)C1CN(c2nccnc2C#N)C1,MZZJKOCBUZFXGV-UHFFFAOYSA-N
-rxn:4:222252:222633,CSc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,LQIVZUBALXPYHN-UHFFFAOYSA-N
-rxn:4:222294:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nncn6n5)C4)c3)c(F)cc2C)CC1,GQMBNZYCDSYICL-UHFFFAOYSA-N
-rxn:4:222331:223932,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc2c(Cl)cccc21,WJPRTLARFPPTSM-UHFFFAOYSA-N
-rxn:4:222347:222583,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)c4)CC3)nn12,MEGUBEGGKZXHBA-UHFFFAOYSA-N
-rxn:4:222347:222684,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)CC3)nn12,IJJRCILBIHLNRB-UHFFFAOYSA-N
-rxn:4:222347:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(c5ccc6nnc(C)n6n5)CC4)c3)cc2)CC1,HQONTQGDDFYRSQ-UHFFFAOYSA-N
-rxn:4:222351:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nc2)CC1,ZFFZOWAWTDHVSZ-UHFFFAOYSA-N
-rxn:4:222360:223539,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(OC)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cn4)CC3)ncnc21,SKGWLGVQGLHXMI-UHFFFAOYSA-N
-rxn:4:222361:222633,COCCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cn5)CC4C3)ncnc21,SQXVCMKJFLBWRE-UHFFFAOYSA-N
-rxn:4:222362:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3C(=O)C1C2(C)C,HBJVQQZNDMYUOG-UHFFFAOYSA-N
-rxn:4:222380:222583,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)cn5)CC4C3)ncnc21,RBLDAYYIWLUNOB-UHFFFAOYSA-N
-rxn:4:222380:222588,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCC(O)CC7)c(F)c6)cn5)CC4C3)ncnc21,NBUWGAFTJLNIKY-UHFFFAOYSA-N
-rxn:4:222380:222682,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(OC)c6NC(=O)OC(C)(C)C)cn5)CC4C3)ncnc21,QXWJTZZGLJYSMF-UHFFFAOYSA-N
-rxn:4:222380:223589,CCn1cnc2c(N3CC4CN(c5ncc(-c6cnc(N7CCN(C(=O)OC(C)(C)C)CC7)cc6C)cn5)CC4C3)ncnc21,HDFFZQDTFRJWPQ-UHFFFAOYSA-N
-rxn:4:222380:223649,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(N7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,IOQJOPSGHKIABC-UHFFFAOYSA-N
-rxn:4:222387:223712,COc1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,QMQHIAFOJHIQDP-UHFFFAOYSA-N
-rxn:4:222432:214709,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,BGQXHBTZGGGYOI-UHFFFAOYSA-N
-rxn:4:222543:173910,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1,PYQGXQDAIVEGOU-UHFFFAOYSA-N
-rxn:4:222603:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cc1OC,RHVVOJAKCFSTKD-UHFFFAOYSA-N
-rxn:4:222611:175719,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCC2CCC2)c(C(C)=O)c1,GJBMZRQLUJUBQQ-UHFFFAOYSA-N
-rxn:4:222611:203835,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccco3)C2)cc1,YKSOVRXNYFGBDL-UHFFFAOYSA-N
-rxn:4:222623:215275,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cc(C2CCNCC2)n1,NIINVTONJVIMCV-UHFFFAOYSA-N
-rxn:4:222632:219093,CCC(=O)C1=C(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,CDVKKTGVJJIGLO-UHFFFAOYSA-N
-rxn:4:222693:206980,CN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)ccc2F)CC1,HFKOWAORTKHDBP-UHFFFAOYSA-N
-rxn:4:222701:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1OC,NKMRSVPMPRWYCR-UHFFFAOYSA-N
-rxn:4:222713:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC)ccc2S(=O)(=O)NC(C)(C)C)cc1OC,OQOFAMMNSMLROY-UHFFFAOYSA-N
-rxn:4:222723:216219,CN1C2CCC1CC(Oc1ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn1)C2,PCOGCUJOLKUKBV-UHFFFAOYSA-N
-rxn:4:222723:219892,CC(=O)N(C)C1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,RLCWQCQTVSVRNA-UHFFFAOYSA-N
-rxn:4:222752:187185,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3C)cc2)C1,YUMOYHVMORCYEW-UHFFFAOYSA-N
-rxn:4:222822:203937,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CC1,BRQBQSMFSQFSTJ-UHFFFAOYSA-N
-rxn:4:222890:185375,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)n1,XKBGJGAOWWVVTB-UHFFFAOYSA-N
-rxn:4:222940:187659,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,OIBUZDWTMZVQRH-UHFFFAOYSA-N
-rxn:4:222941:187417,CONS(=O)(=O)c1c(C)cc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)cc1C,FLXRTNHOXKEMAL-UHFFFAOYSA-N
-rxn:4:222950:204683,CONS(=O)(=O)c1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)ccc1OC,ISGKIXIYIJEYHO-UHFFFAOYSA-N
-rxn:4:223080:185317,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)cc1,HQHBYZMMWUUGEH-UHFFFAOYSA-N
-rxn:4:223093:184085,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cncc(NS(=O)(=O)C(C)C)c1,KALXFQLSNGTXIJ-UHFFFAOYSA-N
-rxn:4:223570:206941,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4N=C(C(C)(C)C)CC4=O)cc3)c(F)ncc21,ALPGUPFTZZINGU-UHFFFAOYSA-N
-rxn:4:223580:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2cc(C(=O)OC)ccc2n1C(=O)OC(C)(C)C,MCOXKWJHTOEEFD-UHFFFAOYSA-N
-rxn:5:176859:225849:225849,COC(=O)c1cc(OC)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1cnc(N2CCCCC2)cc1F,GZMTYYCPHAXSTG-UHFFFAOYSA-N
-rxn:5:176865:226330:225978,COC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)cc(OC)c1-c1ccc(C(C)N2CCCC2)s1,ZOBAPRICXLOFKN-UHFFFAOYSA-N
-rxn:5:177177:223065:225636,COC(=O)Cc1cc(C)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccnc(N2CCC(C)CC2)c1,JAPNMYIZNUUPQG-UHFFFAOYSA-N
-rxn:5:177182:225804:223056,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(C(=O)N2CCC2)c(F)c1,ODKJGGGHFAXDNN-UHFFFAOYSA-N
-rxn:5:177182:225804:223062,CCOC(=O)c1cc(C)cc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(C(=O)N2CCC2)c(F)c1,NPVJKYAMDNKSQY-UHFFFAOYSA-N
-rxn:5:177183:225849:222990,CCOC(=O)c1cc(C)c(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cnc(N3CCCCC3)cc2F)c1,XGFHETLZYVEZLU-UHFFFAOYSA-N
-rxn:5:177184:225849:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cnc(N2CCCCC2)cc1F,GCAUXCNSWCUDIO-UHFFFAOYSA-N
-rxn:5:177187:225804:223056,CCOC(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCC3)c(F)c2)c1-c1ccc(N2CCC(O)CC2)nc1,RVNHSACYQXAFAG-UHFFFAOYSA-N
-rxn:5:177189:223065:225639,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,WYASMYGAQIMOEA-UHFFFAOYSA-N
-rxn:5:177189:225804:223056,CCOC(=O)c1c(-c2ccc(C(=O)N3CCC3)c(F)c2)ccc(C)c1-c1ccc(N2CCC(O)CC2)nc1,ARIFTTHFTIQLQC-UHFFFAOYSA-N
-rxn:5:177190:222992:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCCC3O)cc2)c1,RUFANDJPWJJZKH-UHFFFAOYSA-N
-rxn:5:177190:222994:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2cccc(N3CCC(O)CC3)c2)c1,SVUQXDFDVXRFBH-UHFFFAOYSA-N
-rxn:5:177190:222994:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,DPHBNDPCSUZHET-UHFFFAOYSA-N
-rxn:5:177190:223054:223135,CCS(=O)(=O)Cc1ccc(-c2cccnc2C2CCCNC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,CYYWBGRPWQXYII-UHFFFAOYSA-N
-rxn:5:177190:223054:223148,CCS(=O)(=O)Cc1ccc(-c2ccccc2C2CNCCO2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,ARGWSADTOADTNQ-UHFFFAOYSA-N
-rxn:5:177190:225407:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,KZWLEMURDYJTPA-UHFFFAOYSA-N
-rxn:5:177190:225407:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCCCCC3)cc2)c1,WAOIMGIFPROBML-UHFFFAOYSA-N
-rxn:5:177190:225462:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2cccc(N3CCC(C)CC3)c2)c1,UWGFUVDOCBWQLR-UHFFFAOYSA-N
-rxn:5:177190:225462:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,AHVYORCVJXRKJZ-UHFFFAOYSA-N
-rxn:5:177190:225464:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCCC(C)C3)c2)c1,YVVCLWHKFGAXGT-UHFFFAOYSA-N
-rxn:5:177190:225466:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3C)cc2)c1,HUBBLMDRFKUDPG-UHFFFAOYSA-N
-rxn:5:177190:225470:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCC(C)CC3)cc2)c1,FUAHEZWXWCUIEH-UHFFFAOYSA-N
-rxn:5:177190:225472:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3C)c2)c1,SFUNRKIWBMJZAM-UHFFFAOYSA-N
-rxn:5:177190:225611:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCC3)cc2OC)c1,SOIIJWZDLHRBRB-UHFFFAOYSA-N
-rxn:5:177190:225633:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,QSYCPQDRAYGDCG-UHFFFAOYSA-N
-rxn:5:177190:225633:222995,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,RDHMAWXHKVCKIR-UHFFFAOYSA-N
-rxn:5:177190:225633:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,SHDAIUCFAYYJGZ-UHFFFAOYSA-N
-rxn:5:177190:225633:225637,CCS(=O)(=O)Cc1ccc(-c2ccccc2N2CCN(C)CC2)c(-c2ccc(N3CCCCCC3)nc2)c1,WEIBKPCHFCUHBL-UHFFFAOYSA-N
-rxn:5:177190:225633:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCCC3)nc2)c1,LXIZOCZUDFWAIE-UHFFFAOYSA-N
-rxn:5:177190:225634:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,YFLPRQRIFQPXGF-UHFFFAOYSA-N
-rxn:5:177190:225636:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,USHLXNYMVCLDRQ-UHFFFAOYSA-N
-rxn:5:177190:225636:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,RVRMZOUTIQXXFH-UHFFFAOYSA-N
-rxn:5:177190:225636:225466,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,PKZYKFUJBYODND-UHFFFAOYSA-N
-rxn:5:177190:225636:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,CQZLXZWNSDMBKS-UHFFFAOYSA-N
-rxn:5:177190:225636:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,HZCBTAQGGNQHNQ-UHFFFAOYSA-N
-rxn:5:177190:225638:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,YNOAGPHMZZGHSO-UHFFFAOYSA-N
-rxn:5:177190:225638:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,JMRUGECBFAJKMS-UHFFFAOYSA-N
-rxn:5:177190:225639:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,YUVOQDPDNYASIE-UHFFFAOYSA-N
-rxn:5:177190:225639:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,OLGBJXMZLIKJHZ-UHFFFAOYSA-N
-rxn:5:177190:225639:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cccnc2N2CCC(C)CC2)c1,UHTFSZQQKUDOTB-UHFFFAOYSA-N
-rxn:5:177190:225639:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,LGOBNMUYUDVFSZ-UHFFFAOYSA-N
-rxn:5:177190:225639:225470,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,FRRINVYONXVHBB-UHFFFAOYSA-N
-rxn:5:177190:225639:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cccnc2N2CCC(C)CC2)c1,QPOCGKBPZROTKV-UHFFFAOYSA-N
-rxn:5:177190:225639:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccnc2N2CCC(C)CC2)c1,IRGAVMZMYBDWTL-UHFFFAOYSA-N
-rxn:5:177190:225655:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,VAMBKTAOXSDASQ-UHFFFAOYSA-N
-rxn:5:177190:225655:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,SZVNGJYTWOJSDB-UHFFFAOYSA-N
-rxn:5:177190:225655:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,FYHSCKPORRHCOQ-UHFFFAOYSA-N
-rxn:5:177190:225805:226452,CCS(=O)(=O)Cc1ccc(-c2ccc(C3OCCCO3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,YOVIYRGECJTYEM-UHFFFAOYSA-N
-rxn:5:177190:225805:226665,CCS(=O)(=O)Cc1ccc(-c2cnc(C3CCCOC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,JYQQVGTZJZMTIZ-UHFFFAOYSA-N
-rxn:5:177190:225806:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2cnc(OC3CCCC3)cc2F)c1,HFGVSYDFANXIBK-UHFFFAOYSA-N
-rxn:5:177190:225849:222991,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(-c2cnc(N3CCCCC3)cc2F)c1,BNXFUPMQUAOGNQ-UHFFFAOYSA-N
-rxn:5:177190:225849:222995,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(-c2cnc(N3CCCCC3)cc2F)c1,JMJJOXOYAROGQF-UHFFFAOYSA-N
-rxn:5:177190:226427:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(N3CCC(C)CC3)cs2)c1,HDZZYYORRCHIDE-UHFFFAOYSA-N
-rxn:5:177190:227656:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cc(N3CCOCC3)cs2)c1,FEDDXBHBTRJYNO-UHFFFAOYSA-N
-rxn:5:177193:225849:225833,CCOC(=O)c1cc(C)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccnc(N2CCCCC2)c1F,MJGALDDFSKATIO-UHFFFAOYSA-N
-rxn:5:177373:227803:225803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1OCC1OCCO1,WMXHBBWUKAEJDV-UHFFFAOYSA-N
-rxn:5:177731:225438:223132,CC(c1ccc(-c2cc(-c3cccc(N4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,ODQUTRPEUITAGN-UHFFFAOYSA-N
-rxn:5:177731:225438:225982,CC(c1ccc(-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,OMYPKHKKHPJTLY-UHFFFAOYSA-N
-rxn:5:177731:225439:223139,CC(c1cccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,NXKNOZGMEAVXHL-UHFFFAOYSA-N
-rxn:5:177731:225980:223294,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1cc(N2CCOCC2)ncc1F,AATAKSXKONHIFG-UHFFFAOYSA-N
-rxn:5:177732:223058:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cc(F)nc(C3CCCNC3)c2)s1)N1CCC(O)C1,QNEKZJSYYJQSKM-UHFFFAOYSA-N
-rxn:5:177734:226794:226662,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,LWWBJLVRBPCNLL-UHFFFAOYSA-N
-rxn:5:177736:223056:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,VHXLAVJCTICTFM-UHFFFAOYSA-N
-rxn:5:177736:223064:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(C3CCNCC3)nc2F)c1,JNBIVFCAPIPTBR-UHFFFAOYSA-N
-rxn:5:177736:225438:225976,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(N3CCOCC3)c2F)cc1)N1CCCC1,QYVUTPXSAKPBCI-UHFFFAOYSA-N
-rxn:5:177736:225439:225982,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCOCC3)cc2F)c1)N1CCCC1,OWKMIDNGFJCLIC-UHFFFAOYSA-N
-rxn:5:177736:225978:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCOCC3)nc2F)cc1)N1CCCC1,FOYPBQXZUJMIAW-UHFFFAOYSA-N
-rxn:5:177737:225439:226649,CC(c1cccc(-c2ccc(-c3cccnc3N3CCOCC3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,IARCTLGYQGDLBK-UHFFFAOYSA-N
-rxn:5:177739:223056:226679,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cnc(N2CCCC2)cc1F,DYNZKINHRITLJW-UHFFFAOYSA-N
-rxn:5:177851:223001:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(C2CCCNC2)ccc1F,MXLUECLKTFLKPP-UHFFFAOYSA-N
-rxn:5:177891:223140:227505,O=C(SC1CS(=O)(=O)CC1c1ccc(/C=C/[N+](=O)[O-])cc1)c1ccccc1-c1ccnc(C2CCCNC2)c1,DDPOUTLHIBLPMB-NTCAYCPXSA-N
-rxn:5:177891:223295:225613,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCCCC3)c2)c1,GEMHGQUPTVOALS-UHFFFAOYSA-N
-rxn:5:177891:225799:228623,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCC1)c1ccccc1-c1cncc(OC2CCOCC2)c1,UPOPXFGQAKLWNO-UHFFFAOYSA-N
-rxn:5:177891:225943:228878,O=C(SC1CS(=O)(=O)CC1c1cnn(C2COC2)c1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,CLCGJXZBNJXXPP-UHFFFAOYSA-N
-rxn:5:177891:226182:222419,NS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCCC2)c1,MQOJCWQFMLADKC-UHFFFAOYSA-N
-rxn:5:177891:226447:228002,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCC1)c1ccccc1-c1ccnc(C2CCOCC2)c1,OBPDDZSHADPFQI-UHFFFAOYSA-N
-rxn:5:177891:226583:223140,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCNC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,SSYWZBOHOZICFD-UHFFFAOYSA-N
-rxn:5:177891:226583:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,MMOIKTIJXPXFHY-UHFFFAOYSA-N
-rxn:5:177891:226586:226444,Cc1nc(C2CCCO2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(OC2CCOC2)c1,CJCZZCSCDXFTLG-UHFFFAOYSA-N
-rxn:5:177891:226645:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccnc(N2CCOCC2)c1,SMRFHYYXTINJOA-UHFFFAOYSA-N
-rxn:5:177891:226649:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1cccnc1N1CCOCC1,WBOXWEJRFIICRP-UHFFFAOYSA-N
-rxn:5:177891:226729:223378,O=C(SC1CS(=O)(=O)CC1c1cnc2c(c1)NCCO2)c1ccccc1-c1cnc(OC2CCOC2)nc1,SLFKAVONNQFAKN-UHFFFAOYSA-N
-rxn:5:177891:227089:223285,CS(=O)(=O)Nc1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccncc1C1CCCC1,TZBJCSBMESXOPZ-UHFFFAOYSA-N
-rxn:5:177891:227404:223281,O=C(SC1CS(=O)(=O)CC1c1ccc(C2(O)COC2)nc1)c1ccccc1-c1cc(N2CCCCC2)cs1,UQXYRCUAXKXQMG-UHFFFAOYSA-N
-rxn:5:177891:227438:227131,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CCOC2)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,ZVNSEYRPGHPHHM-UHFFFAOYSA-N
-rxn:5:177891:227448:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1ccc(C2COC2)c(F)c1,UJWTWCNKSODRCU-UHFFFAOYSA-N
-rxn:5:177891:227517:226197,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCCOC2)cc1)c1ccccc1-c1ccc(OC2COC2)nc1,NLSKRXPGJJNOQF-UHFFFAOYSA-N
-rxn:5:177891:227656:223378,O=C(SC1CS(=O)(=O)CC1c1cnc2c(c1)NCCO2)c1ccccc1-c1cc(N2CCOCC2)cs1,IGPBCICDMFPWEF-UHFFFAOYSA-N
-rxn:5:177891:227656:225639,CC1CCN(c2ncccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCOCC3)cs2)CC1,GOZQJRPARWMTDV-UHFFFAOYSA-N
-rxn:5:177891:227656:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(N2CCOCC2)cs1,SGHKPFPZXOEJDT-UHFFFAOYSA-N
-rxn:5:177891:228794:225803,C[Si](C)(C)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCOCC3)c2)s1,XLXYYLLWEAJDIG-UHFFFAOYSA-N
-rxn:5:177891:228878:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnn(C2COC2)c1,GPTQUAVWODZCRQ-UHFFFAOYSA-N
-rxn:5:178118:222958:227505,Cc1ccc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCO2)cc1C1CCNCC1,PJIVZSXWQGATBD-OBGWFSINSA-N
-rxn:5:178118:225832:228417,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)c(C(F)F)c2)cc1OCC1CCCCO1,IQDHFMUDZFNNAW-UHFFFAOYSA-N
-rxn:5:178118:226438:227804,O=[N+]([O-])c1cc(-c2ccc(-c3cnc(C4CCCC4)cc3F)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,GAMLLUCJAIRHQD-UHFFFAOYSA-N
-rxn:5:178118:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccnc(C3CCOCC3)c2)c(OCC2CCCCO2)c1,VVFPGIIPUHYAGZ-UHFFFAOYSA-N
-rxn:5:178118:226899:227386,O=[N+]([O-])c1ccc(-c2ccc(-c3cnn(C4CCCCC4)c3)cc2OCC2CCCCO2)c([N+](=O)[O-])c1,GKCYYBWUXYYDFB-UHFFFAOYSA-N
-rxn:5:178118:227803:227449,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3CCOCC3)s2)cc1OCC1CCCCO1,YZBSNDQEHGHDBX-UHFFFAOYSA-N
-rxn:5:178119:222980:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCNCC3)cc2)c1-c1ccc(C2(O)COC2)nc1,RSHPLTLSZYTSBI-UHFFFAOYSA-N
-rxn:5:178119:223135:222990,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccnc2C2CCCNC2)c1-c1ccc(N2CCC(O)CC2)cc1,DHMZJTULUFXTLF-UHFFFAOYSA-N
-rxn:5:178119:223281:223061,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1cc(C2CCNCC2)ncc1F,KQXDNDNVSAVAIA-UHFFFAOYSA-N
-rxn:5:178119:226334:226582,Cc1cc(C(=O)N(C)C)cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc(C(=O)N(C)C)cc2F)c1,BHVJREBVQKQRJN-UHFFFAOYSA-N
-rxn:5:178120:225805:228219,CC(C)c1cc(F)c(-c2c(OCC3CCOCC3)cccc2-c2ccc(C(C)N3CCOCC3)s2)cn1,AXCYQBOKIOYBSN-UHFFFAOYSA-N
-rxn:5:178122:223062:227804,O=[N+]([O-])c1cc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,YVBKVENSSDNHGI-UHFFFAOYSA-N
-rxn:5:178224:223002:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCNCC4)cc3F)c2)c([N+](=O)[O-])s1,IPFLNFUTZXVHRH-UHFFFAOYSA-N
-rxn:5:178226:222988:227506,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2cccc(/C=C/[N+](=O)[O-])c2)cc(C2CCNCC2)n1,QJAZSJCDQQNRGK-OBGWFSINSA-N
-rxn:5:178295:223138:226148,COC(=O)C1(c2cc(-c3cccc(C#C[Si](C)(C)C)c3)ccc2-c2ccnc(C3CCNCC3)c2)CCC(=O)CC1,NALRSVINTMDYSA-UHFFFAOYSA-N
-rxn:5:178295:223190:228790,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2cccc(C(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,KRWJTGMJUPLYOZ-UHFFFAOYSA-N
-rxn:5:178295:223266:227077,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3C(=O)NC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LYHKOPQMCXYFOM-UHFFFAOYSA-N
-rxn:5:178295:223267:227816,CCCc1ccc(-c2ccc(-c3ccc(C(=O)NC)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,UWFKCPUTSDGXFG-UHFFFAOYSA-N
-rxn:5:178295:223270:227905,COC(=O)C1(c2cc(-c3ccnc(CC(C)C)c3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,ZBRZPJJRWAJEDI-UHFFFAOYSA-N
-rxn:5:178295:223309:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(NC(C)C)cc2)CCC(=O)CC1,HWJAOMQMEZKAKT-UHFFFAOYSA-N
-rxn:5:178295:225451:227071,COCc1cc(C)c(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,AVEJHWGBMIZENR-UHFFFAOYSA-N
-rxn:5:178295:225506:227343,COC(=O)c1cc(C)cc(-c2ccc(-c3ccc4c(cnn4CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HBIDYALYTSABMQ-UHFFFAOYSA-N
-rxn:5:178295:225886:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,LDJVPAHYAURVLZ-UHFFFAOYSA-N
-rxn:5:178295:225886:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,BCICDPLOIWWHPR-UHFFFAOYSA-N
-rxn:5:178295:226058:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,HKBZAOATWQWVQT-UHFFFAOYSA-N
-rxn:5:178295:226059:227964,COC(=O)C1(c2cc(-c3cncc(C4(C)CC4)c3)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,GLOFPASGWZZIPE-UHFFFAOYSA-N
-rxn:5:178295:226062:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NGBKBBQSHFDBSB-UHFFFAOYSA-N
-rxn:5:178295:226068:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,CCEFYLVNTPSHAJ-UHFFFAOYSA-N
-rxn:5:178295:226069:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc(C3CCCCC3)c2)CCC(=O)CC1,PJYFEHYDTFFVMM-UHFFFAOYSA-N
-rxn:5:178295:226085:227837,COC(=O)C1(c2cc(-c3cc(C)cc(C4CC4)c3)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,LFVLLCHGIKCMTQ-UHFFFAOYSA-N
-rxn:5:178295:226140:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,IBQOOCFCTJSMSD-UHFFFAOYSA-N
-rxn:5:178295:226154:227863,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCO4)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,NDFIKBWKWWLFMR-UHFFFAOYSA-N
-rxn:5:178295:226154:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,DHDCXGJRQCGHOA-UHFFFAOYSA-N
-rxn:5:178295:226322:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,MFJUZUUYYPYMRS-UHFFFAOYSA-N
-rxn:5:178295:226341:226199,COC(=O)C1(c2cc(-c3ccc4c(cnn4C(C)C)c3)ccc2-c2cc(C(C)C)c(F)cc2OC)CCC(=O)CC1,BCKXGCCCQMCVGS-UHFFFAOYSA-N
-rxn:5:178295:226579:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HFXBKUMFMDQMEJ-UHFFFAOYSA-N
-rxn:5:178295:226579:227941,COCc1cc(C)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DAYLQOCHZNQRTQ-UHFFFAOYSA-N
-rxn:5:178295:226580:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,UCSHWOXNBLBVQG-UHFFFAOYSA-N
-rxn:5:178295:226580:228555,COCc1ccccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,CWNGVFIFNXZIDQ-UHFFFAOYSA-N
-rxn:5:178295:226582:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,GMGCPUXZXMPHBJ-UHFFFAOYSA-N
-rxn:5:178295:226603:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UKCMZJHNSRJQGQ-UHFFFAOYSA-N
-rxn:5:178295:226783:228611,COC(=O)C1(c2cc(-c3cc(OC)ccc3C)ccc2-c2c(OC)cc(F)c(F)c2OC)CCC(=O)CC1,ZBGDZLPOBKSHHI-UHFFFAOYSA-N
-rxn:5:178295:226907:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,XBTBQMUARMIQGS-UHFFFAOYSA-N
-rxn:5:178295:226907:228006,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3C)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,BGYGQWJAEHVNHY-UHFFFAOYSA-N
-rxn:5:178295:226907:228141,CCCc1cc(F)c(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DJMSRWAFHYMXEL-UHFFFAOYSA-N
-rxn:5:178295:226910:228276,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WOSDWSFFKGWWGU-UHFFFAOYSA-N
-rxn:5:178295:226914:228115,COC(=O)C1(c2cc(-c3ccc(OC(C)C)nc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,QSEQBYFFNKTSIR-UHFFFAOYSA-N
-rxn:5:178295:226917:228562,CCC(C)c1csc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AZDRKKFGAYCTNC-UHFFFAOYSA-N
-rxn:5:178295:226922:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2c(C)cc(C3CC3)cc2C)CCC(=O)CC1,GKSBFDLRSJXOMX-UHFFFAOYSA-N
-rxn:5:178295:226926:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VJJXSCYYZGDCOO-UHFFFAOYSA-N
-rxn:5:178295:226946:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(c2)CCN(C)C3)CCC(=O)CC1,FVGXOBPHXPCVJD-UHFFFAOYSA-N
-rxn:5:178295:226959:227309,CCC(C)c1cc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,UDVPHMPOQCJLDQ-UHFFFAOYSA-N
-rxn:5:178295:226959:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,JGIINEXRFOLOMP-UHFFFAOYSA-N
-rxn:5:178295:226968:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,AMMIKENUUKTBRH-UHFFFAOYSA-N
-rxn:5:178295:226968:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,RKUNISPZWJOJBA-UHFFFAOYSA-N
-rxn:5:178295:226969:228252,COC(=O)C1(c2cc(-c3c(OC)ccc(C)c3F)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,HPBKYGRUNRTBJS-UHFFFAOYSA-N
-rxn:5:178295:226971:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,SWIZVEUUWIUMOT-UHFFFAOYSA-N
-rxn:5:178295:226973:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,RFLXAXJFCGMPFC-UHFFFAOYSA-N
-rxn:5:178295:226980:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2cccc3c2C(=O)CCC3)CCC(=O)CC1,YMCWUABFOFXXFE-UHFFFAOYSA-N
-rxn:5:178295:227038:223421,CNC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,MMOKHCXDQRBJFJ-UHFFFAOYSA-N
-rxn:5:178295:227038:227976,COC(=O)C1(c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,LVIOFWXVATTXGC-UHFFFAOYSA-N
-rxn:5:178295:227048:228144,CCCc1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PGPIVAGUHKCADC-UHFFFAOYSA-N
-rxn:5:178295:227052:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,DPOAGBJKGRSWRZ-UHFFFAOYSA-N
-rxn:5:178295:227052:227523,COC(=O)c1cnc(C)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,APOWBADVNSMJLB-UHFFFAOYSA-N
-rxn:5:178295:227052:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,NVUCYYBNJNVBGF-UHFFFAOYSA-N
-rxn:5:178295:227063:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(C)cc2OC(C)C)CCC(=O)CC1,TZDVNAMHIDOWOQ-UHFFFAOYSA-N
-rxn:5:178295:227065:228108,CCc1ncc(C#N)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RUJZOAHITLDCAG-UHFFFAOYSA-N
-rxn:5:178295:227068:228178,COCc1ccc(F)c(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NAKRPHGUMRAERW-UHFFFAOYSA-N
-rxn:5:178295:227069:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,BSVRNPYKQINJCE-UHFFFAOYSA-N
-rxn:5:178295:227069:227891,COC(=O)C1(c2cc(-c3ccccc3CN(C)C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,DZHBHCUUXOXFAO-UHFFFAOYSA-N
-rxn:5:178295:227074:227917,CCOc1c(C)cc(C)cc1-c1ccc(-c2cc(CC)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,WEGGVCANECFORD-UHFFFAOYSA-N
-rxn:5:178295:227075:227950,COC(=O)C1(c2cc(-c3cc(N(C)C)ccc3C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,UJXZALYXPYJYOU-UHFFFAOYSA-N
-rxn:5:178295:227076:226215,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)CC/C4=N\OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VRSQNSFSIIAVMS-WIKZRCHHSA-N
-rxn:5:178295:227076:227306,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(OC(C)C)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XZMJLLVAFDHXLA-UHFFFAOYSA-N
-rxn:5:178295:227076:227996,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DEYVLSBHCQLRCY-UHFFFAOYSA-N
-rxn:5:178295:227076:228197,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C(C)(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UDBRLZQJBJAMKQ-UHFFFAOYSA-N
-rxn:5:178295:227077:228247,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)=O)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KWNNUHMEDWFGRZ-UHFFFAOYSA-N
-rxn:5:178295:227077:228325,CCC(C)c1ccc(-c2ccc(-c3cnc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LFEDPOQXOIYMKB-UHFFFAOYSA-N
-rxn:5:178295:227079:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UXUIWJVVJZBJMG-UHFFFAOYSA-N
-rxn:5:178295:227087:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C)cnc3C(C)(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SQYRBGBTPFZBMV-UHFFFAOYSA-N
-rxn:5:178295:227102:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,ZQUWVEZGDUPFMS-UHFFFAOYSA-N
-rxn:5:178295:227108:227071,COCc1cc(C)c(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,WKPIVJHPEBZWSC-UHFFFAOYSA-N
-rxn:5:178295:227124:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WAEMDRFUCUNOGV-UHFFFAOYSA-N
-rxn:5:178295:227309:226923,CCC(C)c1cc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AQHJOXWFBZCQNT-UHFFFAOYSA-N
-rxn:5:178295:227311:227529,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WOUIKMUEGNMAIS-UHFFFAOYSA-N
-rxn:5:178295:227311:227941,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C)cc(COC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LUHKMBBYBMTMNP-UHFFFAOYSA-N
-rxn:5:178295:227313:227904,CCC(C)c1cc(-c2ccc(-c3ccc(N(C)CC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,PVWZHBSFYQAPCI-UHFFFAOYSA-N
-rxn:5:178295:227340:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,COJSYAPYXCNYNA-UHFFFAOYSA-N
-rxn:5:178295:227353:227999,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,QMUJEGLUFKDLBP-UHFFFAOYSA-N
-rxn:5:178295:227353:228400,COC(=O)C1(c2cc(-c3ccc(F)c(F)c3OC)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,JQQNKQYHNLGUQO-UHFFFAOYSA-N
-rxn:5:178295:227543:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(F)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KZPJNHRMWPAMHU-UHFFFAOYSA-N
-rxn:5:178295:227566:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2ccc(OC)c(F)c2OC)CCC(=O)CC1,RXGBQASMNLEFBI-UHFFFAOYSA-N
-rxn:5:178295:227568:227840,COC(=O)C1(c2cc(-c3cccc(C)c3C3CC3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,YZUJRBNWQREFGK-UHFFFAOYSA-N
-rxn:5:178295:227591:227813,CCc1cccc(CC)c1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,ORLZBQSBSYBJDT-UHFFFAOYSA-N
-rxn:5:178295:227703:228562,CCC(C)c1csc(-c2ccc(-c3cnc(F)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HBAYOGQAKCVHQE-UHFFFAOYSA-N
-rxn:5:178295:227705:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2cnc(C(F)F)cc2OC)CCC(=O)CC1,ZWHVKKRBHUQXOH-UHFFFAOYSA-N
-rxn:5:178295:227713:227932,COCc1ccc(C)c(-c2ccc(-c3cc(F)ccc3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NQHXCAWHAJHNKP-UHFFFAOYSA-N
-rxn:5:178295:227807:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,AIBITPRNXNHQPU-UHFFFAOYSA-N
-rxn:5:178295:227810:223215,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)NC(=O)CC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VVKOMILMRRFONQ-UHFFFAOYSA-N
-rxn:5:178295:227813:226579,CCc1cccc(CC)c1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FEIQEWHZXRTXSU-UHFFFAOYSA-N
-rxn:5:178295:227813:227529,CCc1cccc(CC)c1-c1ccc(-c2ccc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NVHZLSBJEUOVIF-UHFFFAOYSA-N
-rxn:5:178295:227815:227052,CCC(C)c1ccccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,RMGIAKYZABSMNJ-UHFFFAOYSA-N
-rxn:5:178295:227815:227113,CCC(C)c1ccccc1-c1ccc(-c2cc(C3CC3)c(F)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,WURQRBYDRDYZFQ-UHFFFAOYSA-N
-rxn:5:178295:227818:227068,CCC(C)c1cccc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AWVHINBOTNKXDY-UHFFFAOYSA-N
-rxn:5:178295:227819:227299,CCc1cc(CC)cc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FAUACFKGDGKZCT-UHFFFAOYSA-N
-rxn:5:178295:227820:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,NSDYWQVZMUAGOU-UHFFFAOYSA-N
-rxn:5:178295:227820:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,AEHNIVUDHRLODU-UHFFFAOYSA-N
-rxn:5:178295:227823:227061,COC(=O)C1(c2cc(-c3cc(OC(C)C)ccc3C)ccc2-c2ccccc2C(C)(C)C)CCC(=O)CC1,QXESAMNKOWWEDX-UHFFFAOYSA-N
-rxn:5:178295:227827:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C3CC3)ccc2C)CCC(=O)CC1,FGRYJSDOIQHGSO-UHFFFAOYSA-N
-rxn:5:178295:227831:226144,CCc1c(C)cc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,OXTKJCBOCGMFCL-UHFFFAOYSA-N
-rxn:5:178295:228002:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2sccc2C2CCCC2)CCC(=O)CC1,QZOIVNMYWVEBJC-UHFFFAOYSA-N
-rxn:5:178295:228005:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)c(SC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZCAZNLKGRLIZLT-UHFFFAOYSA-N
-rxn:5:178295:228005:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,OPMCYPIBKWAZDR-UHFFFAOYSA-N
-rxn:5:178295:228079:227562,COC(=O)C1(c2cc(-c3c(F)ccc(OC)c3OC)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,YQULLMLLPMROCB-UHFFFAOYSA-N
-rxn:5:178295:228140:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N(C)C)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XACCELKJYXAUJP-UHFFFAOYSA-N
-rxn:5:178295:228146:227447,CCc1cncc(-c2ccc(-c3c(F)ccc(C4CC4)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,UOOPIKZYPLSKTD-UHFFFAOYSA-N
-rxn:5:178295:228156:227061,COC(=O)C1(c2cc(-c3cc(OC(C)C)ccc3C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,MPCLYTZGRPKQQK-UHFFFAOYSA-N
-rxn:5:178295:228180:227529,COCc1cc(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,LXGINBRLEXGFFM-UHFFFAOYSA-N
-rxn:5:178295:228189:227330,CCSc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UUCZSMBYFHMWEQ-UHFFFAOYSA-N
-rxn:5:178295:228272:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,MFEPSSOUJXEINJ-UHFFFAOYSA-N
-rxn:5:178295:228278:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(F)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XAPUTISTBDVMDH-UHFFFAOYSA-N
-rxn:5:178295:228388:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,QDTAPXIDBXFXNQ-UHFFFAOYSA-N
-rxn:5:178295:228401:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2c(F)ccc(F)c2OC)CCC(=O)CC1,RDPAJAUITHZVSN-UHFFFAOYSA-N
-rxn:5:178295:228431:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)cc(F)c3SC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,XEOXKZUWFSMNRM-UHFFFAOYSA-N
-rxn:5:178295:228437:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,URAWJGTXDHMDBU-UHFFFAOYSA-N
-rxn:5:178295:228464:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cncc(OC(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IJXHLQMMKGGHIO-UHFFFAOYSA-N
-rxn:5:178295:228551:226059,CCCc1ncccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,XINICSMGHFODHI-UHFFFAOYSA-N
-rxn:5:178295:228562:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(C)CC)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,HMBFCXGVBSBKOG-UHFFFAOYSA-N
-rxn:5:178295:228564:227591,CCC(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)s1,QHUUACKOQBDFKB-UHFFFAOYSA-N
-rxn:5:178295:228611:226581,COC(=O)C1(c2cc(-c3cccc(C(=O)N(C)C)c3F)ccc2-c2cc(OC)ccc2C)CCC(=O)CC1,HVQLBJZEKBBTHA-UHFFFAOYSA-N
-rxn:5:178295:228693:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N(C)CC)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ALSJSXUSXBSIFR-UHFFFAOYSA-N
-rxn:5:178295:228721:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2ccnn2C(C)(C)C)CCC(=O)CC1,BMVVPQHNLWLZMN-UHFFFAOYSA-N
-rxn:5:178295:228789:226153,COC(=O)C1(c2cc(-c3cc(C4CC4)c(OC)cc3C)ccc2-c2ccc(F)cc2OC)CCC(=O)CC1,HMLCVQZIXCKLOL-UHFFFAOYSA-N
-rxn:5:178295:228796:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cc(OC)ccc2F)CCC(=O)CC1,NCUQWKBSRDKVRJ-UHFFFAOYSA-N
-rxn:5:178295:228832:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(C)cc(F)c2F)CCC(=O)CC1,VKAKBNHRPVFAII-UHFFFAOYSA-N
-rxn:5:178295:228965:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc([N+](=O)[O-])nc2)CCC(=O)CC1,DMIRTEFHTFXMOI-UHFFFAOYSA-N
-rxn:5:178295:228982:225454,C#Cc1ccc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,IJIGENPLXVWNQB-UHFFFAOYSA-N
-rxn:5:178314:225407:227048,CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc1,CAUZLFDQHARONU-UHFFFAOYSA-N
-rxn:5:178368:225934:225657,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCOCC4)c(C)c3)c(C)c2)c(C)cc1-c1cnc(C(F)(F)F)c(C2CC2)c1,DVHUHELYNGGVKF-UHFFFAOYSA-N
-rxn:5:178466:223062:223064,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,WGWPNYSNLUSKIQ-UHFFFAOYSA-N
-rxn:5:178466:225982:225982,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,RSPMLZDAWLRYJY-UHFFFAOYSA-N
-rxn:5:178467:222985:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,MCXQMDJEQFWBOX-ACCUITESSA-N
-rxn:5:178467:222988:227983,CCOC(=O)C1=Cc2cc(-c3ccccc3[Si](C)(C)C)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,CZUHHRQTUYOSML-UHFFFAOYSA-N
-rxn:5:178467:223004:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(C4CCNCC4)c(F)c3)c2OC1,ANVSYGCDCSEHAB-UHFFFAOYSA-N
-rxn:5:178467:223011:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,NNMDKPUIQIUELO-UHFFFAOYSA-N
-rxn:5:178467:223061:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PPPVBFDJHFUPOU-UHFFFAOYSA-N
-rxn:5:178467:223062:228695,CCOC(=O)C1=Cc2cc(-c3csc(CN(C)C)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,GSYALTBRWMUZSC-UHFFFAOYSA-N
-rxn:5:178467:223064:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,KPLMIYKQTDOAJH-UHFFFAOYSA-N
-rxn:5:178467:223140:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,AYBLFRPRNNYJFK-FMIVXFBMSA-N
-rxn:5:178467:223140:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,VOKQQODEGWXJAM-UHFFFAOYSA-N
-rxn:5:178467:223202:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,AGZLHXOECZAVHY-UHFFFAOYSA-N
-rxn:5:178467:223281:222956,CCOC(=O)C1=Cc2cc(-c3ccc(C)cc3C3CCCNC3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,UNCPQWVUIUWYMZ-UHFFFAOYSA-N
-rxn:5:178467:225499:228267,CCOC(=O)C1=Cc2cc(-c3c(F)ccc(C)c3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,KTJAGVBLEDNGGU-UHFFFAOYSA-N
-rxn:5:178467:225601:228878,CCOC(=O)C1=Cc2cc(-c3cnn(C4COC4)c3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,ZEHGNHDFJJJIHX-UHFFFAOYSA-N
-rxn:5:178467:225655:223384,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)NC)nc3)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,VSAKHVUBRVXTBW-UHFFFAOYSA-N
-rxn:5:178467:225833:227946,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,YLAOSTKSQPVPTC-UHFFFAOYSA-N
-rxn:5:178467:225834:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,IWBFCUWFZGCDAZ-UHFFFAOYSA-N
-rxn:5:178467:225849:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,BMIMORRXPNQFLO-UHFFFAOYSA-N
-rxn:5:178467:225980:225637,CCOC(=O)C1=Cc2cc(-c3ccccc3N3CCN(C)CC3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,DSDSGGBPESPRKP-UHFFFAOYSA-N
-rxn:5:178467:226148:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,CNCTVVHENSINNU-UHFFFAOYSA-N
-rxn:5:178467:226645:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,ZHNRVQXTAGXHAE-UHFFFAOYSA-N
-rxn:5:178467:226661:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,SHUAOJIPKLALTK-UHFFFAOYSA-N
-rxn:5:178467:226679:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,OKSDHFABRCVGDB-UHFFFAOYSA-N
-rxn:5:178467:227495:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cc(N(C)CC)ncc3F)c2OC1,NAYRZSHXQBAVQL-UHFFFAOYSA-N
-rxn:5:178467:227505:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,LWYIKWCKWVFRNC-PKNBQFBNSA-N
-rxn:5:178467:227528:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C(=O)OC)c(F)c3)c2OC1,KZICBYQZHSRNBY-UHFFFAOYSA-N
-rxn:5:178467:228653:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnn4c3CCCC4)c2OC1,VZSGSHXFKNEIFN-UHFFFAOYSA-N
-rxn:5:178467:228974:225605,CCOC(=O)C1=Cc2cc(-c3cc(C)cnc3OC3CCCC3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,JUJKOPDUYJPJCA-UHFFFAOYSA-N
-rxn:5:178556:226329:223008,N#CC1(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3COc3ccc4c(c3)C(=O)CCC4)cc2F)CC1,YUAIEQLBEQIVLK-UHFFFAOYSA-N
-rxn:5:179393:225805:225987,CC(c1ccc(-c2cc(OC3COC3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2)s1)N1CCOCC1,KHGAPPGALXUEMB-UHFFFAOYSA-N
-rxn:5:179418:225805:225581,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCOCC3)cc2)s1)N1CCOCC1,VQKHMQVIQRKPBZ-UHFFFAOYSA-N
-rxn:5:179418:225884:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCC(O)C1,VGOOBPKYPJRRHS-UHFFFAOYSA-N
-rxn:5:179418:226661:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCC(O)C1,RMPLQJBKGLFXCR-UHFFFAOYSA-N
-rxn:5:179418:226662:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCC(O)C1,QQJWAUPHLWQEFS-UHFFFAOYSA-N
-rxn:5:180095:222995:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(-c2cccc(N3CCCC(O)C3)c2)cc1OC1CCCC1,KQZSLFCSQUGLDP-UHFFFAOYSA-N
-rxn:5:180097:225879:222405,O=C1NC(=O)C(c2cccc(-c3cc(OC4CCCC4)cc(-c4ccc(N5CCOCC5)cc4F)c3)c2)N1,XADONLPZKAUYAU-UHFFFAOYSA-N
-rxn:5:180203:225677:226464,COc1ccc2c(c1-c1cc(OC3CCOCC3)cc(-c3ccc(C4CCCCC4)nc3F)c1)OCCO2,NAQOVHHVWXQKCC-UHFFFAOYSA-N
-rxn:5:180297:223007:227507,COc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(C2(C)OCCO2)cc1-c1cccc(C=C[N+](=O)[O-])c1,XGLIFQOAXCLTAJ-UHFFFAOYSA-N
-rxn:5:180506:223140:225634,Cc1cc(-c2c(-c3ccnc(C4CCCNC4)c3)cc(C(C)(C)C)cc2C2OCCO2)cnc1N1CCCCC1,XXWZTFQNNOUDLS-UHFFFAOYSA-N
-rxn:5:180506:223242:226731,CN(C)S(=O)(=O)c1ccccc1-c1c(-c2ccnc(C3CCNC3)c2)cc(C(C)(C)C)cc1C1OCCO1,XXVBRBCSBKAAHT-UHFFFAOYSA-N
-rxn:5:180602:225926:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2O1,VFTNYHZNVADDKZ-UHFFFAOYSA-N
-rxn:5:180662:222987:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,DFAQNOMZCXWOMW-UHFFFAOYSA-N
-rxn:5:180662:222987:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,NRNACALZCRMQSY-UHFFFAOYSA-N
-rxn:5:180662:222989:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,YKXLCRDRRWGVMT-UHFFFAOYSA-N
-rxn:5:180662:223058:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,IFTYMCYRRWXJGJ-UHFFFAOYSA-N
-rxn:5:180662:223063:223295,COC(=O)C1=Cc2cc(-c3cncc(NS(C)(=O)=O)c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,LUADZSVABLHGOJ-UHFFFAOYSA-N
-rxn:5:180662:223134:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3cnccc3C3CCCNC3)c2OC1,REWDIRDXXMJHIN-UHFFFAOYSA-N
-rxn:5:180662:223173:227449,COC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)s3)cc(-c3ccc4c(c3)C(O)CS4(=O)=O)c2OC1,VMFJWZVRZMJUKQ-UHFFFAOYSA-N
-rxn:5:180662:223202:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,QNAQDTAYAGIQDP-UHFFFAOYSA-N
-rxn:5:180662:225880:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(C4CCOCC4)ncc3F)c2OC1,QJEDVGSRMPSCQI-VMPITWQZSA-N
-rxn:5:180662:226144:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,AFRCUJZAGFGKLZ-UHFFFAOYSA-N
-rxn:5:180662:226144:226685,COC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,HWYIYEZGCOOQLG-UHFFFAOYSA-N
-rxn:5:180662:226783:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)cc(F)c(F)c3OC)c2OC1,ZYRMTRDOBRJEFU-UHFFFAOYSA-N
-rxn:5:180662:227530:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3cc(C(=O)OC)ccc3F)c2OC1,FERCVXCTXNCSDJ-UHFFFAOYSA-N
-rxn:5:180662:227710:222985,COC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3C)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,NIYLYECPNJHAKF-UHFFFAOYSA-N
-rxn:5:181904:226686:225514,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc2c1OCC1(CC1)CO2,SUDTVKLPOYFAPN-UHFFFAOYSA-N
-rxn:5:181906:225832:226179,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cncc(C2CCCCC2)c1,FCNAHQBSCNLJDY-UHFFFAOYSA-N
-rxn:5:181906:225881:226686,Cc1ccc(-c2ccc(C3CCOCC3)nc2F)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,RPDNYLCCCKYJNR-UHFFFAOYSA-N
-rxn:5:181907:226686:222956,Cc1ccc(-c2c(-c3c(C)cnn3C3CCCCO3)cc(C)cc2C2OCCO2)c(C2CCCNC2)c1,YYLVYBXUPJUGAT-UHFFFAOYSA-N
-rxn:5:181908:225655:222987,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,FEOPQRKFHLXOOU-UHFFFAOYSA-N
-rxn:5:183189:225805:222956,Cc1ccc(-c2cc3c(c(-c4ccc(C(C)N5CCOCC5)s4)c2)OC(C)(C)OC3)c(C2CCCNC2)c1,VUFXMEIEXLNGAX-UHFFFAOYSA-N
-rxn:5:188867:226662:222996,CC(C)OC(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ncc1-c1ccc(N2CCN(C)CC2)s1,UWTYKPABQKESNC-UHFFFAOYSA-N
-rxn:5:188930:222994:227515,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(OC(C)C)cnc1F,FYVKOEINOJABLL-UHFFFAOYSA-N
-rxn:5:188930:223056:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccnc(C2CCNCC2)c1,ADAIZCYZEPAXSH-UHFFFAOYSA-N
-rxn:5:188930:223140:226729,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCNC3)c2)cc1-c1cnc(OC2CCOC2)nc1,UVBVTNAHTWYUHR-UHFFFAOYSA-N
-rxn:5:188930:223147:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cccnc1N1CCOCC1,IECJROPWNXNLPO-UHFFFAOYSA-N
-rxn:5:188930:223148:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)cc1-c1ccc(C2CCNCC2)nc1,KNOWDVHEAOZHNF-UHFFFAOYSA-N
-rxn:5:188930:226180:226382,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)cc1-c1cnc(C2CCCCC2)nc1,MVKHDDPUVNFLEP-UHFFFAOYSA-N
-rxn:5:188930:226181:223062,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3=CCCCC3)nc2)cc1-c1cnc(C2CCNCC2)cc1F,QPYVOJSKNQVZGQ-UHFFFAOYSA-N
-rxn:5:188930:226649:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccc(C(C)N2CCCC2)s1,LUPJHDDTGOAVMV-UHFFFAOYSA-N
-rxn:5:188932:223142:226139,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,NOAFRUOIFBQLIP-UHFFFAOYSA-N
-rxn:5:188932:225613:226338,COC(=O)c1cc(-c2ccnc(OC3CCCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(OC3CCCC3)c2)c1,QUUIZXKTZAEBFL-UHFFFAOYSA-N
-rxn:5:188932:225639:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,LLMHFFWGHRVRBU-UHFFFAOYSA-N
-rxn:5:188932:225803:226139,COC(=O)c1cc(-c2ccnc(OC3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,JTTJGAZZEIMHNR-UHFFFAOYSA-N
-rxn:5:188932:225930:226744,CCc1cc(-c2cc(C(=O)OC)cc(-c3cc(C)ccc3S(=O)(=O)N(C)C)c2S(N)(=O)=O)cnc1C(F)(F)F,DXDQIOBATJHQTC-UHFFFAOYSA-N
-rxn:5:188932:226142:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cccc(OC3CCCC3)c2)c1,LBEINRDKFHDYCB-UHFFFAOYSA-N
-rxn:5:188932:226177:226338,COC(=O)c1cc(-c2ccnc(OC3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,YUIBDUNIAPDEFX-UHFFFAOYSA-N
-rxn:5:188932:226180:226177,COC(=O)c1cc(-c2ccnc(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)c1,DMHOWCMHJVUUAC-UHFFFAOYSA-N
-rxn:5:188932:226649:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,KBHJVKUFMMYJMZ-UHFFFAOYSA-N
-rxn:5:188932:227381:225447,COC(=O)c1cc(-c2ccc(OC3CCCCC3)cc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,PUCLCJRWGBJESA-UHFFFAOYSA-N
-rxn:5:188932:227432:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3COC3)nc2C)c1,CYKFQZORHCGHRL-UHFFFAOYSA-N
-rxn:5:188932:227491:225799,COC(=O)c1cc(-c2cnc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2cncc(OC3CCOCC3)c2)c1,BXGWTXPHKNPYOI-UHFFFAOYSA-N
-rxn:5:189078:225976:225978,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCOCC2)nc1F,SFQRDFWQAMWZLW-UHFFFAOYSA-N
-rxn:5:189078:225976:226661,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(N2CCN(C)CC2)cs1,OFQBITUXYDQLFA-UHFFFAOYSA-N
-rxn:5:189079:226654:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,UNRWGJDIVJXPIT-UHFFFAOYSA-N
-rxn:5:189079:226661:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NSVAYRQCXANGCW-UHFFFAOYSA-N
-rxn:5:189079:226661:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,GYWGRINAYVGPPW-UHFFFAOYSA-N
-rxn:5:189207:222989:228306,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cnc(SC(C)C)nc2)c(C(=O)ON2C(=O)CCC2=O)c1,AZTUIEMUYAQNAO-UHFFFAOYSA-N
-rxn:5:189207:226068:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,UIQWVSFHHHPDKE-UHFFFAOYSA-N
-rxn:5:189207:226068:227906,CCC(C)c1ncccc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,MKXOVFPLUYSHHR-UHFFFAOYSA-N
-rxn:5:189207:226438:228306,CC(C)Sc1ncc(-c2ccc(-c3cnc(C4CCCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,GSEKAIXLRAYQKJ-UHFFFAOYSA-N
-rxn:5:189207:227523:223252,COC(=O)c1cnc(C)cc1-c1ccc(-c2cc(F)c3c(c2)NCCO3)c(C(=O)ON2C(=O)CCC2=O)c1,HJHNUKNZYHNEOG-UHFFFAOYSA-N
-rxn:5:189208:225655:223340,CC1CCN(c2cncc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc5c(c4)NCCO5)c3)c2)CC1,BJTBAYDVCJPTCB-UHFFFAOYSA-N
-rxn:5:189209:223142:225509,Cn1nc(C2CC2)c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C5CCCNC5)nc4)c3)cc21,BCTOMGJOEDBCMG-UHFFFAOYSA-N
-rxn:5:189209:226027:227815,CCC(C)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,UVAOJYCKRXNAIB-UHFFFAOYSA-N
-rxn:5:189210:223252:223281,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3(O)COC3)nc2)cccc1-c1cc(F)c2c(c1)NCCO2,MQHNLYQLBGNWPI-UHFFFAOYSA-N
-rxn:5:189210:223378:226679,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1cnc(N2CCCC2)cc1F,CONQAFDMIVFMAQ-UHFFFAOYSA-N
-rxn:5:189210:228629:226342,COC(=O)c1c(C)cc(-c2cccc(-c3ccc(C4CCC4)s3)c2C(=O)ON2C(=O)CCC2=O)cc1C,OCPCHTGPYPSDPY-UHFFFAOYSA-N
-rxn:5:189211:227509:222987,Cc1nc(C2CCNCC2)ccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cnc(F)c(OC(C)C)c1,ZYUZYBATAZHVMR-UHFFFAOYSA-N
-rxn:5:189212:223011:226374,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cncnc1C1CCCCC1,BPDOKAUIZJBBQN-UHFFFAOYSA-N
-rxn:5:189212:226320:223240,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCNC4)nc3)c2)CC1,WCJTYSGSJDTBDW-UHFFFAOYSA-N
-rxn:5:189212:226320:223241,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cncc(C4CCNC4)c3)c2)CC1,IYZPFVBZAXPOFK-UHFFFAOYSA-N
-rxn:5:189212:226331:223240,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCNC4)nc3)c(F)c2)CC1,VXHHVJQGVXUXLN-UHFFFAOYSA-N
-rxn:5:189323:225821:223133,CC(C)(C)OC(=O)c1cc(-c2ccccc2N2CCNCC2)ncc1-c1ccc(C2CC2)c(C(F)(F)F)c1,HHJTVJMRBSINQP-UHFFFAOYSA-N
-rxn:5:189323:226041:226051,CC(C)(C)OC(=O)c1cc(-c2c(OC(F)(F)F)ccc(F)c2F)ncc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,AAJPLHVXNNMZGE-UHFFFAOYSA-N
-rxn:5:189513:225834:225634,Cc1cc(-c2ccc(S(=O)(=O)c3cc(-c4cc(N5CCCCC5)ncc4F)ccc3[N+](=O)[O-])cc2)cnc1N1CCCCC1,JVPHQFKKSFBFPJ-UHFFFAOYSA-N
-rxn:5:189662:225638:227506,CC1CCN(c2ccc(-c3cnc(-c4cccc(/C=C/[N+](=O)[O-])c4)c(OCC4CCOCC4)c3)cn2)CC1,VKSNNBUUXGKXJG-NTEUORMPSA-N
-rxn:5:189665:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,FRVZMRAPYXXNOC-UHFFFAOYSA-N
-rxn:5:189665:227710:225621,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)ccc1OC1CCOC1,BZOSKPLBLBDDTJ-UHFFFAOYSA-N
-rxn:5:189666:227077:223018,CCC(C)c1ccc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)c1,AQRDQKZQZRBZBG-NOVGRVAJSA-N
-rxn:5:189672:226150:226146,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(SC3CCCC3)c2)c1-c1ccc(SC2CCCC2)cc1,AZTGMZUKDYVCCY-PPFNPFNJSA-N
-rxn:5:189676:226319:226414,O=C(Cc1ccc(-c2ccc(C3=NCCCO3)cc2)c(-c2ccc(C(=O)N3CCC3)cc2)c1)N1CCCC1,FUQPVRCRSWKIHF-UHFFFAOYSA-N
-rxn:5:189718:226597:226731,CC(C)Oc1c(F)cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccccc2S(=O)(=O)N(C)C)cc1F,LPGHYMIZUBOEMG-UHFFFAOYSA-N
-rxn:5:189952:222417:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,CATLQPOADLJXNZ-UHFFFAOYSA-N
-rxn:5:190000:226426:226364,CC1CCN(c2ccc(-c3cc(-c4ccc(N5CCCCC5)nc4)ccc3CC(=O)N3CCCCC3)s2)CC1,LDKGLIWQFRGZIV-UHFFFAOYSA-N
-rxn:5:190000:226794:225986,O=C(Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cnc(N2CCSCC2)nc1)N1CCCCC1,WQZDKUZHPPVIQW-UHFFFAOYSA-N
-rxn:5:190001:225592:227935,CCc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(F)ccc2CN2CCCC2)ccc1OC,YCVGMZRKDDDDSL-UHFFFAOYSA-N
-rxn:5:190001:226771:225880,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C2CCOCC2)ncc1F,UDCQJRHTBNBMIC-UHFFFAOYSA-N
-rxn:5:190131:228178:226146,COCc1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(SC4CCCC4)cc3)c2OC)c1,LCYHUEGSYCTVHC-UHFFFAOYSA-N
-rxn:5:190194:225591:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(CN3CCCC3)ccc2F)cc1OC,IYHFZHHCNXJEDC-UHFFFAOYSA-N
-rxn:5:190195:222417:225590,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCCC2)c(F)c1,RCRKFWJWSOBUQL-UHFFFAOYSA-N
-rxn:5:190195:223113:227684,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnn(CC3OCCO3)c2)c1)C1CCOCC1,PJURYUGBYPFFJD-UHFFFAOYSA-N
-rxn:5:190201:225881:223113,CC1CN(CCc2cc(-c3ccc(C4CCOCC4)nc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,CJYQCUPJEMEFFS-UHFFFAOYSA-N
-rxn:5:190265:223113:223148,CC1CCCN(C(=O)Cc2ccc(-c3ccccc3C3CNCCO3)c(-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)C1,JFTXRDYXVGHWSN-UHFFFAOYSA-N
-rxn:5:190265:226743:227306,CCc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(OC(C)C)nc2C)cc(C(F)(F)F)n1,CKKXZEFNGVJEMJ-UHFFFAOYSA-N
-rxn:5:190265:227322:227107,COc1c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cc(C)cc(C3CC3)c2F)cncc1C(C)C,JXAGVHJFUAJBOB-UHFFFAOYSA-N
-rxn:5:190308:226429:227860,CC1CCCN(CCc2cc(-c3ccc(N4CCCC(C)C4)s3)ccc2-c2ccc3c(c2)CCN3C)C1,GZFHITGIJGENFK-UHFFFAOYSA-N
-rxn:5:190308:227403:227534,CCOc1cc(F)c(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2CCN2CCCC(C)C2)c(F)c1,OWOKEVUDLMZWRR-UHFFFAOYSA-N
-rxn:5:190335:225815:225936,COc1c(-c2ccc(C3CC3)cc2C(F)(F)F)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)cnc1C(C)C,HQDFPCSBJDTFKJ-UHFFFAOYSA-N
-rxn:5:190335:228123:227320,CCOc1cncc(C)c1-c1cc(C(=O)N2CCCCC2C)cc(-c2c(OC)cccc2N(C)C)c1OC,SXONVMBNRBCYCW-UHFFFAOYSA-N
-rxn:5:190459:228417:225625,O=C(c1ccccc1-c1ccc(F)c(C(F)F)c1)N1CCSC(c2ccccc2-c2cc(OC3CCCC3)ccc2F)CC1,GPWVJVXQCQJUOS-UHFFFAOYSA-N
-rxn:5:190484:223135:227505,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,UBSXIASWYBZLJA-LTGZKZEYSA-N
-rxn:5:190484:223135:227506,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-HMMYKYKNSA-N
-rxn:5:190484:223147:228965,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,JRIOUTYOKVUWBP-UHFFFAOYSA-N
-rxn:5:190484:223242:227501,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-UHFFFAOYSA-N
-rxn:5:190484:226068:225706,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc4ncn(C(C)C)c4cc3F)S(=O)(=O)CC2)c1,XZTIRFPGQOAKGD-UHFFFAOYSA-N
-rxn:5:190484:227507:223138,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,USDJKBCSDAZEOK-UHFFFAOYSA-N
-rxn:5:190484:227657:223147,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,RFBSBQWYUCFLKO-UHFFFAOYSA-N
-rxn:5:190484:227900:227412,CC(C#N)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(C(C)(C)C)cc3F)S(=O)(=O)CC2)c1,TVHVIPAPDITQBO-UHFFFAOYSA-N
-rxn:5:190584:225833:225805,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3ccnc(N4CCCCC4)c3F)cc2[nH]1,NMBYTFBLCQRJMT-UHFFFAOYSA-N
-rxn:5:190587:225805:225976,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)ccc(-c3ccnc(N4CCOCC4)c3F)c2[nH]1,TYAALJIBWMSCBR-UHFFFAOYSA-N
-rxn:5:190587:225982:225607,CCOC(=O)c1cc2c(-c3cnc(N4CCOCC4)cc3F)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,ZRGRLCZRKXAMAS-UHFFFAOYSA-N
-rxn:5:190589:225607:225976,CCOC(=O)c1[nH]c2cccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(C(C)N2CCCCC2)s1,IPJUAIPYWRLYIJ-UHFFFAOYSA-N
-rxn:5:190596:225805:223065,CCOC(=O)c1cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,BWMLFIUMGSCGSG-UHFFFAOYSA-N
-rxn:5:190649:223065:225607,CCOC(=O)c1cnc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,GRZDDWOGYCQUDX-UHFFFAOYSA-N
-rxn:5:190650:225607:223065,CCOC(=O)c1cnc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,BVMKLXBOHWWVBW-UHFFFAOYSA-N
-rxn:5:190740:223062:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,IELLSEMPKFYIET-UHFFFAOYSA-N
-rxn:5:190740:223065:225598,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cccc(CN2CCSCC2)c1,VHWPVZCQJWLPCV-UHFFFAOYSA-N
-rxn:5:190740:223065:225652,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cncc(N2CCCC(C)C2)c1,FWQQXTJNCKBRNB-UHFFFAOYSA-N
-rxn:5:190740:225607:226679,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cnc(N2CCCC2)cc1F,JYWDEVGOLRIXMC-UHFFFAOYSA-N
-rxn:5:190740:225794:225874,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCCC4)nc3)cc2c1-c1ccc(F)c(N2CCOCC2)c1,CONQTRPLWQNPHA-UHFFFAOYSA-N
-rxn:5:190740:225833:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,YZVLHKWJPCJCGW-UHFFFAOYSA-N
-rxn:5:190740:225849:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,LZZRMCQFQSDEMV-UHFFFAOYSA-N
-rxn:5:190740:225849:226654,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1csc(N2CCC(C)CC2)n1,STIKRJONVIAGCD-UHFFFAOYSA-N
-rxn:5:190740:225879:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)cc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,CVVIZTSWEXBHRH-UHFFFAOYSA-N
-rxn:5:190740:225976:225653,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCCCC2C)nc1,LHEFRYCGSVJQTQ-UHFFFAOYSA-N
-rxn:5:190740:225978:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,BXGRFHVPSPSZGR-UHFFFAOYSA-N
-rxn:5:190740:225980:225881,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(C2CCOCC2)nc1F,VPUUMDVXZLCPFA-UHFFFAOYSA-N
-rxn:5:190740:225982:223056,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,QKTMFPOSHVQQQP-UHFFFAOYSA-N
-rxn:5:190740:225982:225980,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,NAPQIGBNNKMGFP-UHFFFAOYSA-N
-rxn:5:190740:226662:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1ccnc(N2CCOCC2)c1F,GDUPIDKQOHRZQF-UHFFFAOYSA-N
-rxn:5:190741:223004:225613,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(F)c3)cc(C)cc2c1-c1ccnc(OC2CCCCC2)c1,MANPDPIGIDODOK-UHFFFAOYSA-N
-rxn:5:190741:223004:225636,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(F)c3)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,QEFDQENHCIDNLI-UHFFFAOYSA-N
-rxn:5:190741:223007:225794,CCOC(=O)c1cnc2c(-c3cc(F)cc(C4CCNCC4)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,SYTJEEXTRMQKOQ-UHFFFAOYSA-N
-rxn:5:190741:223056:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YZFNWBGORCBPDR-UHFFFAOYSA-N
-rxn:5:190741:223064:225632,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cccc(N2CCN(C)CC2)c1,IKMGZBPHXFZTJK-UHFFFAOYSA-N
-rxn:5:190741:223064:225636,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,SRLGYLJMFBAHNS-UHFFFAOYSA-N
-rxn:5:190741:223064:225799,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cncc(OC2CCOCC2)c1,KXMJYMHHVLEUFZ-UHFFFAOYSA-N
-rxn:5:190741:225638:225595,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)nc3)cc(C)cc2c1-c1ccc(F)c(CN2CCCC2)c1,YQTWABBPQOXHLB-UHFFFAOYSA-N
-rxn:5:190741:225802:222980,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1ccc(CN2CCNCC2)cc1,IHQCRBYIPNCVOU-UHFFFAOYSA-N
-rxn:5:190741:225802:225639,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,MXGYFATXXDWDGG-UHFFFAOYSA-N
-rxn:5:190741:225806:225652,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCCC(C)C2)c1,YIAQMCFMMCGYIE-UHFFFAOYSA-N
-rxn:5:190741:225808:225636,CCOC(=O)c1cnc2c(-c3cc(OC4CCCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,ZNIHVSVZQQPRKR-UHFFFAOYSA-N
-rxn:5:190741:225833:225982,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,WXKBLLAHEVYMAF-UHFFFAOYSA-N
-rxn:5:190741:225834:225784,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,AMNBLKCKHXZBBR-UHFFFAOYSA-N
-rxn:5:190741:225834:225803,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccnc(OC2CCOCC2)c1,AQHKKXCYCURJOZ-UHFFFAOYSA-N
-rxn:5:190741:225849:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,ZOYFLNRHVGFSCZ-UHFFFAOYSA-N
-rxn:5:190741:225874:225794,CCOC(=O)c1cnc2c(-c3ccc(F)c(N4CCOCC4)c3)cc(C)cc2c1-c1cnc(OC2CCCCC2)nc1,ZCMPREFRWQTWDO-UHFFFAOYSA-N
-rxn:5:190741:225978:222981,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccnc(NC2CCCCC2)c1,RNTYMNRPWYLQOP-UHFFFAOYSA-N
-rxn:5:190741:225978:225605,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1cc(C)cnc1OC1CCCC1,SPHYSJQXZKKESY-UHFFFAOYSA-N
-rxn:5:190741:225978:225638,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,QLLZQCUQQFZEKI-UHFFFAOYSA-N
-rxn:5:190741:225978:225868,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCOCC2)c(F)c1,YJABEMYILDWZRE-UHFFFAOYSA-N
-rxn:5:190741:225978:226330,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(C(C)N2CCCC2)s1,OKTNEABOXMRWGR-UHFFFAOYSA-N
-rxn:5:190741:226661:222996,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)cc(C)cc2c1-c1ccc(F)cc1C1CCCNC1,GEWDNRZBYJACOM-UHFFFAOYSA-N
-rxn:5:190741:226661:223000,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)cc(C)cc2c1-c1ccc(C2CCCNC2)c(F)c1,PJWGRRXBEXPSTH-UHFFFAOYSA-N
-rxn:5:190742:223056:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cccc(CN2CCSCC2)c1,BKMQEJHVGCORPQ-UHFFFAOYSA-N
-rxn:5:190742:223065:225636,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(N2CCC(C)CC2)c1,UDLMPHLIMQJTKA-UHFFFAOYSA-N
-rxn:5:190742:223065:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(OC2CCCCC2)nc1,QTLQGLSTGLXJTK-UHFFFAOYSA-N
-rxn:5:190742:223065:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(OC2CCOCC2)c1,DRQDYUBXRXOVFY-UHFFFAOYSA-N
-rxn:5:190742:223065:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,LDJZZEXFDCVQIF-UHFFFAOYSA-N
-rxn:5:190742:225595:225638,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(CN4CCCC4)c3)c2c1-c1ccc(N2CCC(C)CC2)nc1,CEGAVFXTOBCWQA-UHFFFAOYSA-N
-rxn:5:190742:225803:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,VZHNBFHYXQLNQI-UHFFFAOYSA-N
-rxn:5:190742:225833:225656,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cncc(N2CCCCC2C)c1,KLHDNNQAMXQEIY-UHFFFAOYSA-N
-rxn:5:190742:225834:223006,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(F)c(C2CCNCC2)c1,YEQBHNBIPGWZON-UHFFFAOYSA-N
-rxn:5:190742:225849:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(C2CCNCC2)cc1F,BOJUKULSBAZEDF-UHFFFAOYSA-N
-rxn:5:190742:225879:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)cc3F)c2c1-c1cnc(OC2CCCCC2)nc1,HNRYKHIVZLLXJZ-UHFFFAOYSA-N
-rxn:5:190742:225976:226583,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)s1,NEHACQYHEWDVKF-UHFFFAOYSA-N
-rxn:5:190742:225980:225613,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccnc(OC2CCCCC2)c1,NKPNQUBLCNCQGQ-UHFFFAOYSA-N
-rxn:5:190742:225982:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,KRABTCNNOMSCEJ-UHFFFAOYSA-N
-rxn:5:190742:226424:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCC(C)C4)cs3)c2c1-c1ccnc(N2CCCCC2)c1F,ZIKKZBICFQKXGS-UHFFFAOYSA-N
-rxn:5:190742:226583:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccnc(N2CCOCC2)c1F,LGZIDWHFNJLVFT-UHFFFAOYSA-N
-rxn:5:190742:226662:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(N2CCNCC2)cc1F,PSMJKGNTBBKBGN-UHFFFAOYSA-N
-rxn:5:190742:226662:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cnc(N2CCOCC2)cc1F,DSDUVUQCXMGBRJ-UHFFFAOYSA-N
-rxn:5:190743:223061:225976,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,YZEILSHZFOIRNV-UHFFFAOYSA-N
-rxn:5:190743:225794:225870,CCOC(=O)c1cnc2c(C)c(-c3cnc(OC4CCCCC4)nc3)ccc2c1-c1cc(F)cc(N2CCOCC2)c1,FFVJDLHPQUGEJY-UHFFFAOYSA-N
-rxn:5:190743:225834:225833,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,XLLUFGPWKRZCAR-UHFFFAOYSA-N
-rxn:5:190743:225849:223062,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,BVBCMRJSRBQSJU-UHFFFAOYSA-N
-rxn:5:190744:223062:225632,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCN(C)CC2)c1,HLHNKLBNOLKXED-UHFFFAOYSA-N
-rxn:5:190744:223062:225978,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,ZRWBNZUDXARHDM-UHFFFAOYSA-N
-rxn:5:190744:223064:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,YRMFUBGFCSHMPR-UHFFFAOYSA-N
-rxn:5:190744:225594:225638,CCOC(=O)c1cnc2c(-c3ccc(F)cc3CN3CCCC3)c(C)ccc2c1-c1ccc(N2CCC(C)CC2)nc1,IICMGLROYFQLFB-UHFFFAOYSA-N
-rxn:5:190744:225834:223062,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,KANVBFVQEVAGGP-UHFFFAOYSA-N
-rxn:5:190744:226427:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,ADBQVKNHRXQHNJ-UHFFFAOYSA-N
-rxn:5:190744:226661:222998,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)c(C)ccc2c1-c1cc(F)cc(C2CCCNC2)c1,GZMNIAGEGXLLBV-UHFFFAOYSA-N
-rxn:5:190744:226662:222996,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1ccc(F)cc1C1CCCNC1,OTGMUFVAPRDYIY-UHFFFAOYSA-N
-rxn:5:190797:223018:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc2c1ccn2C(=O)OC(C)(C)C,RUKOZQQOIYOVLI-UHFFFAOYSA-N
-rxn:5:190797:226149:225871,COc1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)c3ccn(C(=O)OC(C)(C)C)c3c2)cc1C(C)(C)C,BMIUCOWWXQWVIC-UHFFFAOYSA-N
-rxn:5:190833:226580:228510,CC(C)c1ccccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,ZOJQZJIKSRZSDH-UHFFFAOYSA-N
-rxn:5:190833:227048:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,OHUHPQHLCYAMQO-UHFFFAOYSA-N
-rxn:5:190833:227290:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc(C(=O)N(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,JVTGEZREMKOTLX-UHFFFAOYSA-N
-rxn:5:190859:223183:227065,CNS(=O)(=O)c1ccc(-c2ccc3c(c2-c2cccc(C(=O)C(C)C)c2)CCN3C(=O)OC(C)(C)C)c(C)c1,HAPZNXUCVZYOMA-UHFFFAOYSA-N
-rxn:5:190998:227819:226154,CCc1cc(CC)cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4OC)cc2C(=O)OC)C(=O)CO3)c1,NQEOZKYPYSBYCF-UHFFFAOYSA-N
-rxn:5:191026:226062:227907,CCC(C)c1cncc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5cc(C(C)C)cc(C(C)C)c5)cc43)ccc2C)c1,OIHXBEWOOCMUKQ-UHFFFAOYSA-N
-rxn:5:191026:227076:227312,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)CC)nc4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,VQZOZYHXDYZVOU-UHFFFAOYSA-N
-rxn:5:191026:228512:226140,CC#Cc1cccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,QRCQVKGWLSAPGV-UHFFFAOYSA-N
-rxn:5:191026:229048:226679,COC(=O)C1=CN(c2ccc(C)c(-c3cnc(N4CCCC4)cc3F)c2)c2cc(-c3cnn4c3CCC4)ccc2S1(=O)=O,MGSRVMMFCWEWGW-UHFFFAOYSA-N
-rxn:5:192082:225986:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)cnc2OC2COC2)s1)N1CCOCC1,XUCJZNJHVZHGNW-UHFFFAOYSA-N
-rxn:5:192236:225671:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cc(C2CCCCC2)ncc1F,PWXVMFWYYMHLSV-UHFFFAOYSA-N
-rxn:5:192236:225677:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1ccc(C2CCCCC2)nc1F,ICCNHQDWEUKASO-UHFFFAOYSA-N
-rxn:5:192236:225802:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1ccc(OC2CCCC2)nc1F,SXBYYWNXJIRTCA-UHFFFAOYSA-N
-rxn:5:192236:225806:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cnc(OC2CCCC2)cc1F,IWRUXPJRSDJZNM-UHFFFAOYSA-N
-rxn:5:193151:225639:225987,CC1CCN(c2ncccc2-c2c(CN3CCCC3)cccc2-c2ccc(N3CCCS3(=O)=O)cc2)CC1,CDJLPRCSEBUVNG-UHFFFAOYSA-N
-rxn:5:193155:225639:225986,CC1CCN(c2ncccc2-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(CN3CCCC3)c2)CC1,BAAKEUGGSRTWKC-UHFFFAOYSA-N
-rxn:5:193226:223000:225934,O=C(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)c1)N1CCOCC1,NPJVVRYZUBMNTM-UHFFFAOYSA-N
-rxn:5:193229:223064:226679,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2F)c1-c1cnc(N2CCCC2)cc1F)N1CCOCC1,MHXYLDDQRRXNKN-UHFFFAOYSA-N
-rxn:5:193229:226366:225834,O=C(c1cccc(-c2ccnc(N3CCCCC3)c2)c1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,ZULLAFWMCFQMLI-UHFFFAOYSA-N
-rxn:5:193230:223006:226645,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,AKHKHJYBVKELQB-UHFFFAOYSA-N
-rxn:5:193231:225985:227376,O=C(c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1cncc(N2CCCC2)c1)N1CCSCC1,YEJVUMXPKXBQMS-UHFFFAOYSA-N
-rxn:5:193231:227710:225679,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(N4CCCCC4)cc3F)c2)cc1,NXKKRMCBMNRLPW-UHFFFAOYSA-N
-rxn:5:193335:226061:225672,CC(C)c1cc(-c2cccc(-c3cc(F)nc(C4CCCCC4)c3)c2CN2CCOCC2)cc(C2CC2)c1,ZNMSVWRCHYLPPA-UHFFFAOYSA-N
-rxn:5:193338:223134:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)cc(-c2cnccc2C2CCCNC2)c1,HDNUGTAEFMSFJG-UHFFFAOYSA-N
-rxn:5:193382:222956:227958,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCC4)c3)c2)c(C2CCCNC2)c1,OKKUYCNOHYICDE-UHFFFAOYSA-N
-rxn:5:193382:223008:225982,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,IOSZGQWAAFUJQE-UHFFFAOYSA-N
-rxn:5:193382:223056:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,IJZNDVULABLAGY-UHFFFAOYSA-N
-rxn:5:193382:223142:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1S(=O)(=O)N1CCOCC1,RFTJATCYTSJCNW-UHFFFAOYSA-N
-rxn:5:193382:223201:226662,CN1CCN(c2ccc(-c3cc(-c4ccccc4C4CCNC4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,OJKRCNCEFDWZIA-UHFFFAOYSA-N
-rxn:5:193382:223285:223140,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCCNC3)c2)c1,XBSQJUFGJHDXGC-UHFFFAOYSA-N
-rxn:5:193382:225464:227956,Cc1cc(-c2cc(-c3cccc(N4CCCC(C)C4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C(C)C)n1,FLOBSPZBJGIWOE-UHFFFAOYSA-N
-rxn:5:193382:225641:222960,Cc1cc(-c2cc(-c3ccnc(N4CCCC(C)C4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,WJGMHYSZXMKCHZ-UHFFFAOYSA-N
-rxn:5:193382:225683:226649,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccnc2N2CCOCC2)c1,ANPXTKVGRXWVRC-UHFFFAOYSA-N
-rxn:5:193382:225880:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cc(C3CCOCC3)ncc2F)ccc1S(=O)(=O)N1CCOCC1,LCKCTKQKHPGMBM-UHFFFAOYSA-N
-rxn:5:193382:225978:225641,CC1CCCN(c2cc(-c3cc(-c4ccc(N5CCOCC5)nc4F)ccc3S(=O)(=O)N3CCOCC3)ccn2)C1,MDHDDVYOIBZLGF-UHFFFAOYSA-N
-rxn:5:193382:225978:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1S(=O)(=O)N1CCOCC1,MJPFPPZWESOBFX-UHFFFAOYSA-N
-rxn:5:193382:225986:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,SJBOGHUULODTAT-UHFFFAOYSA-N
-rxn:5:193382:226180:225926,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)cc(C2CCCC2)n1,BUPVEZQVAHGYMC-UHFFFAOYSA-N
-rxn:5:193382:226643:223136,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1ccncc1C1CCCNC1)N1CCOCC1,ALJCFVJPPKNHHA-UHFFFAOYSA-N
-rxn:5:193382:226898:227626,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOC3)nc2)c1,ZJGXYJJUVZXSSI-UHFFFAOYSA-N
-rxn:5:193382:227086:226413,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,WXNBABRIZJWNEK-UHFFFAOYSA-N
-rxn:5:193382:227379:226664,O=S(=O)(c1ccc(-c2cccnc2N2CCCC2)cc1-c1cc(N2CCCC2)ncc1F)N1CCOCC1,OUPDHZKRTGSPQH-UHFFFAOYSA-N
-rxn:5:193382:227449:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CCOCC5)s4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,WMYKEQOXDZDSHM-UHFFFAOYSA-N
-rxn:5:193382:227656:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)c1,URRMTRONNCTJCY-UHFFFAOYSA-N
-rxn:5:193382:228692:226330,CC(c1ccc(-c2cc(-c3ccc(CN(C)C)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,YSTOLNDEVHKCJG-UHFFFAOYSA-N
-rxn:5:193459:225638:225985,CC1CCN(c2ccc(-c3cc(C(=O)N4CCCCC4)cc(-c4cccc(N5CCCS5(=O)=O)c4)c3)cn2)CC1,HTRBLYFSACBIAS-UHFFFAOYSA-N
-rxn:5:193459:225986:227376,O=C(c1cc(-c2cncc(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCCCC1,IOXDMMZXHQJKES-UHFFFAOYSA-N
-rxn:5:193460:225924:226794,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cccc(C(=O)N2CCCCC2)c1-c1cnc(N2CCSCC2)nc1,KOOLRCBVJOOZMH-UHFFFAOYSA-N
-rxn:5:193463:226582:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(-c2ccc(C(=O)N(C)C)cc2F)ccc1CN1CCC(=O)CC1,UVNZGPPUHKNMKM-UHFFFAOYSA-N
-rxn:5:193466:223272:226686,CNC(=O)c1ccc(-c2cc(-c3c(C)cnn3C3CCCCO3)ccc2C(=O)N2CCC[C@H]2C)c(F)c1,ZFJDAIKMKBSWOL-ICCFGIFFSA-N
-rxn:5:193506:223132:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2cc(F)nc(C3CC3)c2)CC1,OLCUVKSIJLWQIE-UHFFFAOYSA-N
-rxn:5:193506:223133:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCNCC3)cc2-c2cc(F)nc(C3CC3)c2)CC1,CMJKHYAKWYNVES-UHFFFAOYSA-N
-rxn:5:193506:223135:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCCNC3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,IRTPSGAFNWUHEO-LICLKQGHSA-N
-rxn:5:193506:223148:225607,CC(c1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCCC1,FCOGBPULZGWSAY-UHFFFAOYSA-N
-rxn:5:193506:223252:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,YDANBGHPFPZDNO-UHFFFAOYSA-N
-rxn:5:193506:223252:227376,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cncc(N3CCCC3)c2)CC1,FYFGGJIKPKIBAQ-UHFFFAOYSA-N
-rxn:5:193506:223285:223142,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCCNC3)nc2)c1,AHKLGSAAKZSZSO-UHFFFAOYSA-N
-rxn:5:193506:223286:223240,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCNC4)nc3)c2)c1,DMJNYEOBUUOIQA-UHFFFAOYSA-N
-rxn:5:193506:223294:223378,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2cnc3c(c2)NCCO3)CC1,NNQXOMXULAWOBZ-UHFFFAOYSA-N
-rxn:5:193506:225666:228580,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2cccnc2C2CC2)CC1,PICWUBOPTRSYHH-UHFFFAOYSA-N
-rxn:5:193506:225666:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2ccnc(C3CC3)c2)CC1,QANFZZYFRHVCEN-UHFFFAOYSA-N
-rxn:5:193506:225679:228580,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2cccnc2C2CC2)CC1,RBGXZQXCWVZUJV-UHFFFAOYSA-N
-rxn:5:193506:225679:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2ccnc(C3CC3)c2)CC1,UXGMKODZGQDCMX-UHFFFAOYSA-N
-rxn:5:193506:225833:225982,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cnc(N3CCOCC3)cc2F)CC1,IKGLAAPHIHWNMQ-UHFFFAOYSA-N
-rxn:5:193506:225833:228514,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc(C3CC3)c2)CC1,WAOFIXMTKSWQEK-UHFFFAOYSA-N
-rxn:5:193506:225833:228531,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc3c2CCO3)CC1,ZYJVSCMMHZEUTN-UHFFFAOYSA-N
-rxn:5:193506:225833:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(C3CC3)nc2)CC1,GWBJNFACNNLGGY-UHFFFAOYSA-N
-rxn:5:193506:225849:228511,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccc(C3CC3)cc2)CC1,FGIUJXWBZABFQT-UHFFFAOYSA-N
-rxn:5:193506:225849:228514,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc(C3CC3)c2)CC1,RTFZYXHZFJYZJW-UHFFFAOYSA-N
-rxn:5:193506:225872:228580,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2cccnc2C2CC2)CC1,ASQBQHJMPZYJNM-UHFFFAOYSA-N
-rxn:5:193506:225872:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccnc(C3CC3)c2)CC1,BBDDBUKKGNVQEA-UHFFFAOYSA-N
-rxn:5:193506:226158:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCCC3)cc2-c2cc(F)nc(C3CC3)c2)CC1,AOSROORWHYVYOK-UHFFFAOYSA-N
-rxn:5:193506:226159:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCCC4)c3)cc2-c2cc(F)nc(C3CC3)c2)CC1,XOJQNKNSLWJFSN-UHFFFAOYSA-N
-rxn:5:193506:226164:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3)cc2-c2cc(F)nc(C3CC3)c2)CC1,HPDPHIIXUPKFCX-UHFFFAOYSA-N
-rxn:5:193506:226364:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2cc(F)nc(C3CC3)c2)CC1,GCTYUYPGHYLVLK-UHFFFAOYSA-N
-rxn:5:193506:226366:227998,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccc(F)cc2C2CC2)CC1,OYZKJNISQRGYFT-UHFFFAOYSA-N
-rxn:5:193506:226366:228012,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cccc(F)c2C2CC2)CC1,NBRAVUHZUDZNKU-UHFFFAOYSA-N
-rxn:5:193506:226366:228020,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2c(F)cccc2C2CC2)CC1,PRMKCUPANDXJRR-UHFFFAOYSA-N
-rxn:5:193506:226366:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cc(F)nc(C3CC3)c2)CC1,TZBKKBFDMNDLFR-UHFFFAOYSA-N
-rxn:5:193506:226366:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,BZVJBQRRUSYWJH-UHFFFAOYSA-N
-rxn:5:193506:226412:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2cnc(N3CCSCC3)nc2)CC1,XFCGMJHZJUVQDU-UHFFFAOYSA-N
-rxn:5:193506:226412:227954,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccc(C3CCC3)nc2)CC1,UWKGZFIWZLLQTP-UHFFFAOYSA-N
-rxn:5:193506:226412:227958,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccnc(C3CCC3)c2)CC1,CZNFUSCEMVHTHF-UHFFFAOYSA-N
-rxn:5:193506:226412:227967,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2cccnc2C2CCC2)CC1,TZGOGDLYTQLWSE-UHFFFAOYSA-N
-rxn:5:193506:226412:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,OISVZKCNGDUPLI-UHFFFAOYSA-N
-rxn:5:193506:226414:227954,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccc(C3CCC3)nc2)CC1,FFAQECGOINZTSA-UHFFFAOYSA-N
-rxn:5:193506:226414:227958,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccnc(C3CCC3)c2)CC1,GULPPOZHCTUJPU-UHFFFAOYSA-N
-rxn:5:193506:226420:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,LEKDWGIOEIHEOC-UHFFFAOYSA-N
-rxn:5:193506:226441:227967,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2cccnc2C2CCC2)CC1,XWSHCIIWKYNJEN-UHFFFAOYSA-N
-rxn:5:193506:226452:226661,CN1CCN(c2csc(-c3cc(-c4ccc(C5OCCCO5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,YTBIZUOKBRYPAH-UHFFFAOYSA-N
-rxn:5:193506:226649:225805,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,YADOYCATTZGIIZ-UHFFFAOYSA-N
-rxn:5:193506:226662:223146,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cccc(C5CNCCO5)c4)c3)s2)CC1,BFWQPBCJPSQJPP-UHFFFAOYSA-N
-rxn:5:193506:226665:225805,CC(c1ccc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,IELUPHNWXHSGCU-UHFFFAOYSA-N
-rxn:5:193506:226679:227824,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(C3CCC3)cc2)CC1,ATCUXZRJLVOEDM-UHFFFAOYSA-N
-rxn:5:193506:226679:227825,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(C3CCC3)c2)CC1,HYIUTEULXLWWSZ-UHFFFAOYSA-N
-rxn:5:193506:226679:227867,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc3c2OCCC3)CC1,PDVQJHCFYBIIEH-UHFFFAOYSA-N
-rxn:5:193506:226679:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,SYQIWATXRCLRGM-UHFFFAOYSA-N
-rxn:5:193506:227108:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ccc3F)cc2-c2cccnc2N2CCCC2)CC1,UJTSRRZSCUSKMB-UHFFFAOYSA-N
-rxn:5:193506:227120:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)cc3F)cc2-c2cccnc2N2CCCC2)CC1,LEJFRVNZVDBKAT-UHFFFAOYSA-N
-rxn:5:193506:227203:227375,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCCO4)cc2-c2ccc(N3CCCC3)nc2)CC1,ZBESSCTXMBKPCV-UHFFFAOYSA-N
-rxn:5:193506:227276:227387,CCc1cc(N(C)C)ncc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(N3CCCC3)c2)c1,IQZCKLUFQKBNKZ-UHFFFAOYSA-N
-rxn:5:193506:227379:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,LNDZVWBRELXGBR-UHFFFAOYSA-N
-rxn:5:193506:227379:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,VGDNNGFBERXXPO-UHFFFAOYSA-N
-rxn:5:193506:227387:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,ROMSGOTZCIGLBJ-UHFFFAOYSA-N
-rxn:5:193506:227413:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HUZKKWOHYMDAIP-UHFFFAOYSA-N
-rxn:5:193506:227413:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2ccc(N3CCCC3)s2)CC1,IPRCHNXGSGSZOG-UHFFFAOYSA-N
-rxn:5:193506:227416:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,UAGYMVYASAHIDZ-UHFFFAOYSA-N
-rxn:5:193506:227438:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCOC4)c3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,SIBJVDZCUJKARE-VGOFMYFVSA-N
-rxn:5:193506:227449:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccc(C3CCOCC3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,VUASJEIWVQVERF-UHFFFAOYSA-N
-rxn:5:193506:227449:226335,N#Cc1cc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1COC1,CKRLBZSEEFPOPQ-UHFFFAOYSA-N
-rxn:5:193506:227867:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2cnc(N3CCCC3)cc2F)CC1,XXCWJKPXABASOB-UHFFFAOYSA-N
-rxn:5:193506:227954:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,YYVHLTDMEMTAEP-UHFFFAOYSA-N
-rxn:5:193506:227954:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,QRFOVLJCULPDAV-UHFFFAOYSA-N
-rxn:5:193506:227958:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,FVQCAKMYKZZULI-UHFFFAOYSA-N
-rxn:5:193506:227958:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,XHCMIUALNNJJDW-UHFFFAOYSA-N
-rxn:5:193506:227958:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,RWLVRIZFZHTMHS-UHFFFAOYSA-N
-rxn:5:193506:227967:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,KVBHYVZIQUCWEY-UHFFFAOYSA-N
-rxn:5:193506:228012:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,LDTVILPUNZXRMF-UHFFFAOYSA-N
-rxn:5:193506:228207:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,YHYKURIBYJMLSB-UHFFFAOYSA-N
-rxn:5:193506:228214:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,OXLWXYXSNVCQNI-UHFFFAOYSA-N
-rxn:5:193506:228214:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccccc2N2CCNCC2)CC1,DYPXYATWVNQOCS-UHFFFAOYSA-N
-rxn:5:193506:228214:226164,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccc(N3CCCCC3)cc2)CC1,RITHNRQOKSFJPK-UHFFFAOYSA-N
-rxn:5:193506:228218:223131,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ncc3F)cc2-c2ccc(N3CCNCC3)cc2)CC1,STNMUPFRUHXYFX-UHFFFAOYSA-N
-rxn:5:193506:228221:226159,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2cccc(N3CCCCC3)c2)CC1,OLCQCTDVJQXCAB-UHFFFAOYSA-N
-rxn:5:193506:228221:226164,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccc(N3CCCCC3)cc2)CC1,CCBFFVPTQMFVSD-UHFFFAOYSA-N
-rxn:5:193506:228221:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccc(N3CCCCC3)nc2)CC1,DZPRFVFPFZGUSH-UHFFFAOYSA-N
-rxn:5:193506:228221:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccnc(N3CCCCC3)c2)CC1,ZGDXRBXVYSCLLD-UHFFFAOYSA-N
-rxn:5:193506:228234:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccccc2N2CCNCC2)CC1,GBBJLIAAKWHRLU-UHFFFAOYSA-N
-rxn:5:193506:228234:226159,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2cccc(N3CCCCC3)c2)CC1,FYOVIDOBNXMDHZ-UHFFFAOYSA-N
-rxn:5:193506:228234:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCCCC3)nc2)CC1,ARKRRRZGFYQZGV-UHFFFAOYSA-N
-rxn:5:193506:228234:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccnc(N3CCCCC3)c2)CC1,UIRUVHNFBQUWGO-UHFFFAOYSA-N
-rxn:5:193506:228234:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCSCC3)nc2)CC1,RHSBISOBWYPDKJ-UHFFFAOYSA-N
-rxn:5:193506:228529:223063,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2-c2cc(F)nc(C3CCNCC3)c2)CC1,DDPNBQUTDNVXPF-UHFFFAOYSA-N
-rxn:5:193506:228580:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CC3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,CDSIOXLZEAALKL-UHFFFAOYSA-N
-rxn:5:193506:228584:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CC4)c3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,FCHCIYVYXOHAQQ-UHFFFAOYSA-N
-rxn:5:193506:228692:223146,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)s1,LSDNYVAFOZWFSQ-UHFFFAOYSA-N
-rxn:5:193539:223004:226437,Fc1cnc(C2CCCC2)cc1-c1cc(CN2CCCCC2)ccc1-c1ccc(C2CCNCC2)c(F)c1,QNZXDWHOSCNZKB-UHFFFAOYSA-N
-rxn:5:193540:227544:225943,COC(=O)c1ccc(F)cc1-c1ccc(CN2CCCCC2)c(-c2ccc(C(=O)N3CCOCC3)s2)c1,IMWQOIRNIGSWKS-UHFFFAOYSA-N
-rxn:5:193653:226661:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(C2=NC(=Cc3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)C(=O)O2)cc1,VDMNPOVLJADROW-UHFFFAOYSA-N
-rxn:5:193749:226839:223002,CC1CCCCN1C(=O)c1cc(-c2cc(C(F)(F)F)ncc2C#N)ccc1-c1ccc(C2CCNCC2)cc1F,JIKSIYQGNNJBSU-UHFFFAOYSA-N
-rxn:5:193750:227051:226371,CCC(=O)c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3C)c(C(=O)N3CCC(C)CC3)c2)c(C)c1,PUIYHRVQAVPXEQ-UHFFFAOYSA-N
-rxn:5:193756:225600:225808,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cc(OC2CCCC2)ncc1F,ZQTUECMSGLIDIW-UHFFFAOYSA-N
-rxn:5:193756:225656:225592,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1cc(F)ccc1CN1CCCC1,CMINLTTYRGLLIY-UHFFFAOYSA-N
-rxn:5:193756:225808:228339,COC(=O)c1cnccc1-c1cc(-c2cc(OC3CCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,NWHQBVYGCUTTOQ-UHFFFAOYSA-N
-rxn:5:193756:225819:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cc(C(F)(F)F)ccc2C2CC2)ccc1C(=O)N1CCCCC1C,LMGVVVUARXOJEB-UHFFFAOYSA-N
-rxn:5:193756:226744:227089,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccncc3C3CCCC3)c2)cnc1C(F)(F)F,OAQOAZCHDJJJSL-UHFFFAOYSA-N
-rxn:5:193756:226844:225940,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,JLSVLGAEVFRKCD-UHFFFAOYSA-N
-rxn:5:193756:227089:226679,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1cnc(N2CCCC2)cc1F,CWEGLUXVLKUYNX-UHFFFAOYSA-N
-rxn:5:193756:228321:225833,COC(=O)c1cncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4)c3F)c2)c1,XAACOETZPFWDIS-UHFFFAOYSA-N
-rxn:5:193807:227525:225507,CCc1cnc(C(F)F)cc1-c1c(CN2CCC(C)CC2)cccc1-c1ccc2c(c1)CCC2C(=O)OC,ZVEGXJRCEJTKKJ-UHFFFAOYSA-N
-rxn:5:193808:227769:225941,COc1ncc([N+](=O)[O-])cc1-c1ccc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(CN2CCC(C)CC2)c1,ORGVEFHUZNHIQZ-UHFFFAOYSA-N
-rxn:5:193866:225465:228508,CC(C)c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(C3CCN(C)CC3)c2)c1,IWCZATODENGQAD-UHFFFAOYSA-N
-rxn:5:193867:225456:227808,CN1CCC(c2ccc(-c3cc(-c4ccc5c(c4)CCCC5)cc(C4(N5CCC(=O)CC5)CC4)c3)cc2)CC1,JPZOARWSOQBRPM-UHFFFAOYSA-N
-rxn:5:193867:226062:227808,CC(C)c1cc(-c2cc(-c3ccc4c(c3)CCCC4)cc(C3(N4CCC(=O)CC4)CC3)c2)cc(C(C)C)c1,MTDWWFUWJSNDLE-UHFFFAOYSA-N
-rxn:5:193867:227784:223008,O=C1CCN(C2(c3cc(-c4cc(F)c(F)c([N+](=O)[O-])c4)cc(-c4cc(C5CCNCC5)ccc4F)c3)CC2)CC1,NZYPDNVVEDUXKC-UHFFFAOYSA-N
-rxn:5:193869:222420:223148,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,FDGOQADTGXLBEA-UHFFFAOYSA-N
-rxn:5:193869:223250:227375,Cc1cc(-c2ccc3c(c2)NC(=O)CO3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)nc1,JGBNNUQPKGDDSU-UHFFFAOYSA-N
-rxn:5:193869:226452:226661,Cc1cc(-c2ccc(C3OCCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,MORPXZSWLRZVQN-UHFFFAOYSA-N
-rxn:5:193869:227080:226371,Cc1cc(N2CCCC2)ncc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCCC3)c2)cc1C,ANDLBFSUSYBLFH-UHFFFAOYSA-N
-rxn:5:193869:227197:227387,Cc1cc(-c2ccc3c(c2)C(=O)N(C)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,GPJAYJRIMBDKFT-UHFFFAOYSA-N
-rxn:5:193869:227209:227375,Cc1cc(-c2ccc3c(c2)OC(C)(C)O3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)nc1,OYNXAPURAUXGLK-UHFFFAOYSA-N
-rxn:5:193869:227280:227387,Cc1cc(-c2cc(C#N)ncc2C(C)C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,APOASVCOGDHEHM-UHFFFAOYSA-N
-rxn:5:193869:227710:223148,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,NDVIMDYVJCSHNP-UHFFFAOYSA-N
-rxn:5:193870:222420:227684,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn(CC3OCCO3)c2)cc1-c1ccccc1S(N)(=O)=O,NEDOTPWGCJMTSD-UHFFFAOYSA-N
-rxn:5:193870:223146:222420,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2S(N)(=O)=O)cc1-c1cccc(C2CNCCO2)c1,NCFNSMFUNPRRTL-UHFFFAOYSA-N
-rxn:5:193870:223252:227376,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCC3)c2)cc1-c1cc(F)c2c(c1)NCCO2,WVSRVHMVERTLHP-UHFFFAOYSA-N
-rxn:5:193870:226710:227351,COC(=O)c1c(C)cccc1-c1cc(-c2ccc(F)c([Si](C)(C)C)c2F)c(C)cc1S(=O)(=O)N1CCCCC1,NQSRLXCYNUTLOJ-UHFFFAOYSA-N
-rxn:5:193870:227183:227387,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(c1)CN(C)C2=O,IUHNMLSDDSLDLQ-UHFFFAOYSA-N
-rxn:5:193870:227197:227387,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(c1)C(=O)N(C)C2,YHXWSJYFSVXEGC-UHFFFAOYSA-N
-rxn:5:193870:227206:227379,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccnc2N2CCCC2)cc1-c1ccc2c(c1C)COC2=O,LKKRTJQQZITJMH-UHFFFAOYSA-N
-rxn:5:193871:228778:226027,COc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1F,UTFMXTCQQCUENL-UHFFFAOYSA-N
-rxn:5:193912:223201:226836,CC(C)n1cc(-c2ccc(C3C(=O)N(c4ccc(-c5ccccc5C5CCNC5)cc4)C(=O)CS3=O)cc2)c(C(F)(F)F)n1,SVIKHLQBAXJHGV-UHFFFAOYSA-N
-rxn:5:193968:225879:228253,CP(C)(=O)c1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2CN2CCC3(CC2)OCCO3)cc1,YKCBBPDOYDESAX-UHFFFAOYSA-N
-rxn:5:193968:227280:227034,CC(C)c1cnc(C#N)cc1-c1ccc(-c2c(C#N)cccc2C2CC2)c(CN2CCC3(CC2)OCCO3)c1,QQHSDCBXFXKWLJ-UHFFFAOYSA-N
-rxn:5:193972:228066:223188,CNc1cc(C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc4c(c3)OCCO4)cc2C)cn1,UDBRODCYIPABQQ-UHFFFAOYSA-N
-rxn:5:194058:223063:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)nc(C3CCNCC3)c2)s1)N1CCC(O)C1,BPWOUXIOLKHHRB-UHFFFAOYSA-M
-rxn:5:194058:225638:223054,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)cn2)CC1,WLVZVURBAYVKGU-UHFFFAOYSA-M
-rxn:5:194058:225640:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3C)c2)s1)N1CCOCC1,DSRLBRKSCFFBNC-UHFFFAOYSA-M
-rxn:5:194058:225803:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCC(O)C1,XGVXHDNUYQYMSP-UHFFFAOYSA-M
-rxn:5:194058:225832:226662,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCN(C)CC2)s1,IMRLSPUMZGLTBO-UHFFFAOYSA-M
-rxn:5:194058:226428:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3C)cs2)s1)N1CCOCC1,FJZCQOQDNAQTID-UHFFFAOYSA-M
-rxn:5:194688:226664:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cc(N4CCCC4)ncc3F)cc1)C2,HTGOQGBNSWEAFK-UHFFFAOYSA-N
-rxn:5:194688:227705:225798,COc1cc(C(F)F)ncc1-c1ccc(N2Cc3cc(-c4ccc(OC5CCOCC5)nc4)cc(OC)c3OCC2=O)cc1,LRQOCAIRROQRTA-UHFFFAOYSA-N
-rxn:5:194733:225456:227670,CN1CCC(c2ccc(-c3ccc(-c4cc(F)cc(C(C)(F)F)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2)CC1,JDQZXDIFCQRLKD-UHFFFAOYSA-N
-rxn:5:194733:227197:225824,CN1Cc2ccc(-c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2C1=O,FAMRYECFJMWMBL-UHFFFAOYSA-N
-rxn:5:194767:223061:227379,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3cccnc3N3CCCC3)C2)c2ccccc21,VFXNVEBDMRVFKV-UHFFFAOYSA-N
-rxn:5:194767:227512:227695,COC(=O)c1cc(-c2ccc(-c3cc(OC)cc([N+](=O)[O-])c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c(C)cn1,IXFCXXVVMRUGDL-UHFFFAOYSA-N
-rxn:5:194792:226144:223064,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C7CCNCC7)nc6F)cc5)C(=O)C34)cc2)cc1,OPZKVPKNUNHCOL-UHFFFAOYSA-N
-rxn:5:194792:227932:226645,COCc1ccc(C)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccnc(N7CCOCC7)c6)cc5)C(=O)C34)cc2)c1,RXXYLFLLHJGMMV-UHFFFAOYSA-N
-rxn:5:194792:228137:226179,CCOc1ncc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(C7CCCCC7)c6)cc5)C(=O)C34)cc2)cc1C,CVBOFUZUPSAXRB-UHFFFAOYSA-N
-rxn:5:194792:228195:227018,Cc1nn(C(C)(C)C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C(C)(C)C#N)cc5)cc4)C(=O)C23)cc1,BGLVTSONUIGBGH-UHFFFAOYSA-N
-rxn:5:196198:226658:225926,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)nc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,AJDUBYFFDVCNHX-UHFFFAOYSA-N
-rxn:5:196198:226679:225926,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,GEEMBZTYHOKMBP-UHFFFAOYSA-N
-rxn:5:196408:222956:225985,Cc1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)c(C2CCCNC2)c1,RTNZKJIOYROKDL-UHFFFAOYSA-N
-rxn:5:196408:226686:225881,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1C1=NOCCO1,WIWCCXMPTFWEGA-UHFFFAOYSA-N
-rxn:5:196619:225674:225986,O=C1CCCN1c1ccc(-c2cnc(C3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,HFLQGUDSUWUKBG-UHFFFAOYSA-N
-rxn:5:196789:223062:226583,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)s1,BZNDDWLQGJXIFV-UHFFFAOYSA-N
-rxn:5:196789:223138:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1N1CCOCC1=O,GMPXHVUIVCSXFM-UHFFFAOYSA-N
-rxn:5:196794:226583:223006,O=C1COCCN1c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1ccc(F)c(C2CCNCC2)c1,YLKAOKDFWOHWSV-UHFFFAOYSA-N
-rxn:5:196859:225683:222958,Cc1ccc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCOC3)nc2C)cc1C1CCNCC1,FZHJGRZMGJZQRH-UHFFFAOYSA-N
-rxn:5:196859:226686:225407,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCCCCC2)cc1,QIQDVDWHYBXGGR-UHFFFAOYSA-N
-rxn:5:196872:223004:225591,Fc1ccc(CN2CCCC2)cc1-c1ccc(N2CCOCC2)c(-c2ccc(C3CCNCC3)c(F)c2)c1,DLXOJAIUXKFYHN-UHFFFAOYSA-N
-rxn:5:196918:225931:227103,Cc1cc(-c2cccc(N3CCCCC3=O)c2-c2sccc2C2CCCCC2)cc(S(=O)(=O)N(C)C)c1,RAMUAMVPRUZRHR-UHFFFAOYSA-N
-rxn:5:196919:226062:223018,CC(C)c1cc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)cc(C(C)C)c1,CDHZWQWNYQKDCC-UHFFFAOYSA-N
-rxn:5:196923:226438:225986,O=C1CCCCN1c1ccc(-c2cnc(C3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,JWGKBYSBWFIIFN-UHFFFAOYSA-N
-rxn:5:196923:226658:225986,O=C1CCCCN1c1ccc(-c2ccc(N3CCCC3)nc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,CRSCJORAEUFAQB-UHFFFAOYSA-N
-rxn:5:196923:226664:225986,O=C1CCCCN1c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,KHDLCVOMVPAZCG-UHFFFAOYSA-N
-rxn:5:197876:223018:228021,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZRYUUQCLRORKTQ-UHFFFAOYSA-N
-rxn:5:197876:223113:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,FJBDXJQSLXKYSB-UHFFFAOYSA-N
-rxn:5:197876:225498:226200,CC(C)n1cnc2cc(-c3cc4c(cc3-c3cc(C5CCCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,LGERPPWZXUABIR-UHFFFAOYSA-N
-rxn:5:197876:225498:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LXFRXVCVZKSGMY-UHFFFAOYSA-N
-rxn:5:197876:225880:229012,CC(C)c1ccsc1-c1cc2c(cc1-c1cc(C3CCOCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WIJBGKYVXOGLJI-UHFFFAOYSA-N
-rxn:5:197876:226441:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VHTROBZMVYLCPY-UHFFFAOYSA-N
-rxn:5:197876:227094:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cnccc2C2CCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PWXACUSQSXTSQI-UHFFFAOYSA-N
-rxn:5:197876:227102:227385,Cc1nc(C(C)(C)C)ncc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GUCPOILYDZORHN-UHFFFAOYSA-N
-rxn:5:197876:227313:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(C)CC)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JWDXKDMDOCAPNR-UHFFFAOYSA-N
-rxn:5:197876:227408:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3CCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DWTATWFCUQUIJP-UHFFFAOYSA-N
-rxn:5:197876:227988:225438,CC(c1ccc(-c2cc3c(cc2-c2cccc(C4CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,OGYQENUQZWQRMA-UHFFFAOYSA-N
-rxn:5:197876:228201:225464,CC1CCCN(c2cccc(-c3cc4c(cc3-c3cnc(C5CCC5)nc3)S(=O)(=O)N(C(C)(C)C)C4=O)c2)C1,ZYCFBPFIVVASMF-UHFFFAOYSA-N
-rxn:5:197876:228234:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1c(C3CC3)ccnc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UJVNEFWNMJHILZ-UHFFFAOYSA-N
-rxn:5:197876:228877:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccnn2C2CC2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,WYQOTTILZVJUJF-UHFFFAOYSA-N
-rxn:5:225833:193506:228529,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc3c(c2)CCO3)CC1,AGWDIPDYYGKMEL-UHFFFAOYSA-N
-rxn:5:225833:196198:226794,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cnc(N3CCSCC3)nc2)c1,UJNOJCROKVVNNM-UHFFFAOYSA-N
-rxn:5:225849:193506:228514,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc(C3CC3)c2)CC1,RTFZYXHZFJYZJW-UHFFFAOYSA-N
-rxn:5:226158:193506:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCCC3)cc2-c2cc(F)nc(C3CC3)c2)CC1,AOSROORWHYVYOK-UHFFFAOYSA-N
-rxn:5:226159:193506:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCCC4)c3)cc2-c2cc(F)nc(C3CC3)c2)CC1,XOJQNKNSLWJFSN-UHFFFAOYSA-N
-rxn:5:226366:196198:223065,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(N3CCNCC3)cc2F)c1,IJJQGQRFTMGFGE-UHFFFAOYSA-N
-rxn:5:226412:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,OISVZKCNGDUPLI-UHFFFAOYSA-N
-rxn:5:226431:193506:227958,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2ccnc(C3CCC3)c2)CC1,LSTOOIABDPHDQS-UHFFFAOYSA-N
-rxn:5:226441:193506:227958,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2ccnc(C3CCC3)c2)CC1,OWDQXHXFCQPHBK-UHFFFAOYSA-N
-rxn:5:226441:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,LCPRHIXVOVNSHJ-UHFFFAOYSA-N
-rxn:5:226679:193506:227824,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(C3CCC3)cc2)CC1,ATCUXZRJLVOEDM-UHFFFAOYSA-N
-rxn:5:226679:193506:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cc(N3CCCC3)cs2)CC1,KPJZHFCCYDDGFX-UHFFFAOYSA-N
-rxn:5:226679:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,SYQIWATXRCLRGM-UHFFFAOYSA-N
-rxn:5:226679:196198:225926,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,GEEMBZTYHOKMBP-UHFFFAOYSA-N
-rxn:5:226794:193506:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,SYBSMOUOZOWHBT-UHFFFAOYSA-N
-rxn:5:227120:193506:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)cc3F)cc2-c2cccnc2N2CCCC2)CC1,LEJFRVNZVDBKAT-UHFFFAOYSA-N
-rxn:5:227413:193506:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2ccc(N3CCCC3)s2)CC1,IPRCHNXGSGSZOG-UHFFFAOYSA-N
-rxn:5:227416:193506:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,UAGYMVYASAHIDZ-UHFFFAOYSA-N
-rxn:5:227860:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccc3c(c2)CCN3C)CCC(=O)CC1,JFFBYUXZFGVUGV-UHFFFAOYSA-N
-rxn:5:227898:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cncc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,YPFUWJDQIPMXDS-UHFFFAOYSA-N
-rxn:5:227907:178295:223284,CCC(C)c1cncc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YETYJXCBNJEBND-UHFFFAOYSA-N
-rxn:5:227907:178295:226576,CCC(C)c1cncc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LFXADUCRQGAELV-UHFFFAOYSA-N
-rxn:5:227909:178295:227039,CCC(C)c1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,PTYCPWRDNOPAOQ-UHFFFAOYSA-N
-rxn:5:227920:178295:227319,CCC(=O)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ACIBYVGLSUVANS-UHFFFAOYSA-N
-rxn:5:227922:178295:227534,CCOc1cc(F)c(-c2ccc(-c3ccc(OC)cc3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,OTCYWOQJBVNHAW-UHFFFAOYSA-N
-rxn:5:227932:178295:226059,COCc1ccc(C)c(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LQWXQUBGBWRCPQ-UHFFFAOYSA-N
-rxn:5:227935:178295:227402,CCc1cc(-c2ccc(-c3cc(F)nc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,QJADYONOUPFMDK-UHFFFAOYSA-N
-rxn:5:227937:178295:227313,CCC(C)c1cc(-c2ccc(-c3cccc(SC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,USOSOLAUNDBIKJ-UHFFFAOYSA-N
-rxn:5:227940:178295:227079,CCc1cc(SC)cc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AXSKVWDJSQLMOD-UHFFFAOYSA-N
-rxn:5:227940:178295:228345,CCc1cc(SC)cc(-c2ccc(-c3cc(C)sc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GYFHEESNJVUSHC-UHFFFAOYSA-N
-rxn:5:227950:178295:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(N(C)C)ccc2C)CCC(=O)CC1,VXFRWTVMAVIXCR-UHFFFAOYSA-N
-rxn:5:227950:178295:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(N(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,GNVUQKSOZOXUQV-UHFFFAOYSA-N
-rxn:5:227958:193506:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,XHCMIUALNNJJDW-UHFFFAOYSA-N
-rxn:5:227977:178295:227071,COCc1cc(C)c(-c2ccc(-c3cc(C)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,GJECVIHWBUTRAC-UHFFFAOYSA-N
-rxn:5:227979:178295:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,QPYQGLLJEBTYCC-UHFFFAOYSA-N
-rxn:5:227988:193506:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CC4)c3F)cc2-c2ccc(N3CCCCC3)nc2)CC1,LQMXVXIEZPMGQC-UHFFFAOYSA-N
-rxn:5:227989:178295:226322,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FWCYBPRFCFKCMS-UHFFFAOYSA-N
-rxn:5:227999:178295:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(C(C)C)cc2F)CCC(=O)CC1,XPHHNQBRMSJJGQ-UHFFFAOYSA-N
-rxn:5:228000:178295:227073,COC(=O)C1(c2cc(-c3cc(OC)cc(C4CC4)c3)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,OTSHQWLQFWKWPC-UHFFFAOYSA-N
-rxn:5:228079:190264:226679,CC1CCN(C(=O)Cc2ccc(-c3cnc(N4CCCC4)cc3F)c(-c3cccc4c3COC4=O)c2)CC1,KIWFXAYHUNYMOA-UHFFFAOYSA-N
-rxn:5:228214:193506:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,OXLWXYXSNVCQNI-UHFFFAOYSA-N
-rxn:5:228292:193506:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,OLMJJMVVSNKRDS-UHFFFAOYSA-N
-rxn:5:228584:193506:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CC4)c3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,FCHCIYVYXOHAQQ-UHFFFAOYSA-N
-rxn:4:173308:223572,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c(OCCC(F)(F)F)c1,CVKRQUQZTFRVRQ-UHFFFAOYSA-N
-rxn:4:173312:223582,CCOC(=O)CC(=O)Cc1ccc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)cc1,LGPUBBHDZZFJJD-UHFFFAOYSA-N
-rxn:4:173337:222513,COCCOc1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c(C(=O)OC)cc1F,PYUBLVNMLXAXHL-UHFFFAOYSA-N
-rxn:4:173435:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(C(=O)OC)cc3OCC3CC3)c(F)c2)CC1,SBSNIVOSYURYCY-KESTWPANSA-N
-rxn:4:173574:225826,CN1CCN(c2cncc(-c3cccc(C(=O)CCCCC4OCC(C)(C)CO4)c3)c2)CC1,KUPDQISZLVSOHK-UHFFFAOYSA-N
-rxn:4:173602:223094,COC(=O)C12CC(COc3ccc(-c4ccc([N+](=O)[O-])c(NC(C)=O)c4)c(OC)c3)(C1)C2,DUCAEYDCXCULMA-UHFFFAOYSA-N
-rxn:4:173607:222899,CCCCNS(=O)(=O)c1ccc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)C(C)C)cc1,STKVQZBMSJCXNA-UHFFFAOYSA-N
-rxn:4:173641:222913,Cc1oc2cc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,WCQXFTPLUWQEFC-UHFFFAOYSA-N
-rxn:4:173650:225262,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(=O)N(C)OC)cc3OC)c1)C2=O,HWHHTWDFIAZTAT-UHFFFAOYSA-N
-rxn:4:173658:222545,COc1cc(C(=O)Oc2ccc3ccccc3c2-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC,OFYRFTKTTVNLRH-UHFFFAOYSA-N
-rxn:4:173723:224782,CN1CCN(c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc(F)c2F)CC1,VKQIOOMOOAMUJM-UHFFFAOYSA-N
-rxn:4:173770:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC)ccc3OCC(F)F)cc2F)CC1,SIHKQYVDGNWWDQ-UHFFFAOYSA-N
-rxn:4:173791:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cccc(OCCC(F)(F)F)c3C(F)(F)F)cc2C1,HMXMDQYVKUHRMV-UHFFFAOYSA-N
-rxn:4:173791:224670,CN1CCN(Cc2ccc(F)c(-c3cccc(OCCC(F)(F)F)c3C(F)(F)F)c2)CC1,ZEIYMLBTLSQULZ-UHFFFAOYSA-N
-rxn:4:173800:223920,CN(C(=O)c1ccc(-c2cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c2)c(Cl)c1)C1CCCCC1,YUBOTTDHMMESIY-UHFFFAOYSA-N
-rxn:4:173802:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccn1,GUPFENYDZKMFKN-UHFFFAOYSA-N
-rxn:4:174018:223903,CC(F)(F)c1cc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)ccc1OCC(F)(F)C(F)(F)F,RMPUAMQUFKPESE-UHFFFAOYSA-N
-rxn:4:174129:223985,CCOC(=O)C(C)(C)Sc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1,UIVCTKZVJSFBMI-UHFFFAOYSA-N
-rxn:4:174161:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC(C)C)c(F)cc3C(=O)OC)cc2)CC1,VVZQAFABALGMDV-MEMLXQNLSA-N
-rxn:4:174407:224421,COC(=O)C1(c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)CC(OC)(OC)C1,FFDKNFDWPSNLPO-UHFFFAOYSA-N
-rxn:4:174407:224656,COC(=O)C1(c2cccc(-c3ccc(OC)c(OC4CCCC4)c3F)c2)CC(OC)(OC)C1,HZLREQNELUAGSL-UHFFFAOYSA-N
-rxn:4:174515:222539,CC(C)[Si](Oc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1)(C(C)C)C(C)C,RCLDFVURNSINOQ-UHFFFAOYSA-N
-rxn:4:174571:223866,CC(C)(C)OC(=O)COc1ccc2cc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)ccc2c1,QISPBEOVVYFQHZ-UHFFFAOYSA-N
-rxn:4:174646:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=CC=Cc3ccccc3)C4=O)cc2)s1,ORQUVQWRVWNZRI-UHFFFAOYSA-N
-rxn:4:174649:225901,COc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,BGTSAOFROMPJJI-UHFFFAOYSA-N
-rxn:4:174649:226085,COc1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,SAKBNRYZVZYGHR-UHFFFAOYSA-N
-rxn:4:174656:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c1,OVNIJBFRFZCARM-UHFFFAOYSA-N
-rxn:4:174740:223697,O=S(=O)(c1ccc(-c2cccc(OCC(F)(F)C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCCCC1,YGFOZGNIOMJBRO-UHFFFAOYSA-N
-rxn:4:174758:225186,Fc1ccc(-c2cc(C(F)(F)F)ccc2OC(F)(F)C(F)(F)F)cc1CN1CCSCC1,NYSHGALSVMPODF-UHFFFAOYSA-N
-rxn:4:174940:223827,CCOC(=O)c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)c1F,HHZQJZUMRDNVAF-UHFFFAOYSA-N
-rxn:4:174944:225318,COC(=O)c1cc(C(F)(F)F)c(-c2c(F)cc(N3CCOCC3)cc2F)cc1C(F)(F)F,SFGCNFLEXWUYPU-UHFFFAOYSA-N
-rxn:4:175058:223831,CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(OC)c1F,QNWCEDKVQWQESR-UHFFFAOYSA-N
-rxn:4:175146:223695,CCCOc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OC)c1F,VPWDYUTZBSSNGR-UHFFFAOYSA-N
-rxn:4:175167:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C(=O)OC)cc(OC)c3OC)c2)CC1,CVHROGKYUKTXKU-UHFFFAOYSA-N
-rxn:4:175178:223606,COC(=O)c1cc(OC)cc(OC)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,UNWYKDSMUZNLCA-UHFFFAOYSA-N
-rxn:4:175195:223970,Cc1ccc(-c2cc(OC(F)(F)F)ccc2OC(C)C)cc1S(=O)(=O)N1CCC(C)CC1,NNOFJOVYYUTJIU-UHFFFAOYSA-N
-rxn:4:175813:222622,CCC(C)c1cc(-c2cc(C(C)=O)ccc2C(=O)OC(C)(C)C)cc(C2CCCNC2)n1,VHEVYCAPJJRDRZ-UHFFFAOYSA-N
-rxn:4:175908:224591,COc1cc(C2OCCO2)c(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)c(OC)c1OC,LDBBXTZYKIXVLL-UHFFFAOYSA-N
-rxn:4:175919:222860,CCCCNC(=O)c1ccc(F)c(-c2cc(OCC3CCOCC3)cc(C(F)(F)F)c2)c1,YOMJNIOBJDCMTA-UHFFFAOYSA-N
-rxn:4:176015:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cccc(CCC(=O)C3CCCCC3)c2)c1,XOUCZTNOZIFWSI-UHFFFAOYSA-N
-rxn:4:176018:224702,COc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2C)c(F)cc1OCC1CCCCC1,PYYNEOCLYRUHDR-UHFFFAOYSA-N
-rxn:4:176102:223979,Cc1cc(OCCC2OCCCO2)cc(C)c1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,CVPJVSXJXXJYIM-UHFFFAOYSA-N
-rxn:4:176126:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(OC(=O)C3=C(c4ccccc4)S(=O)(=O)CCO3)cc2)s1,SMVYQOFFSQIDAP-UHFFFAOYSA-N
-rxn:4:176237:222466,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc1)C2=O,ZFNTYJIYDMURNH-UHFFFAOYSA-N
-rxn:4:176261:222639,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)C2=O,ACECFPSSOWWYCD-FQEVSTJZSA-N
-rxn:4:176269:224421,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)C2=O,LMCRQIXBZHYKLB-UHFFFAOYSA-N
-rxn:4:176294:222843,Cc1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)c(C(=O)NC(C)(C)C)c1,YRVROOJICSNZIY-UHFFFAOYSA-N
-rxn:4:176322:228150,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)OC)cc2)C(C)(C)CC1(CC)CC,TWXOMYBSPXPXEI-UHFFFAOYSA-N
-rxn:4:176630:223493,CCOC(=O)c1cc(F)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1Cl,TXEVBDUSUIHMBC-UHFFFAOYSA-N
-rxn:4:177823:223574,CCc1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1COC,NMQIAZCSMDBXAB-UHFFFAOYSA-N
-rxn:4:178018:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc(OC)c1C1OCCO1,LPFNYPSTBUISKY-UHFFFAOYSA-N
-rxn:4:178025:223786,COc1cc(C2OCCO2)cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)c1OC,INUFFSWEXZPDTD-UHFFFAOYSA-N
-rxn:4:178039:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C)(C)C)c(C(F)(F)F)c2)c(C(F)(F)F)c1,XAZIMKAMJYMAIZ-UHFFFAOYSA-N
-rxn:4:178175:223846,COC(=O)C1(c2ccc(-c3cc(C)cc(C4CC5CCC4(C)C5(C)C)c3)cc2)CCCC1,OVUTZVHYMMOUTQ-UHFFFAOYSA-N
-rxn:4:178209:223573,Cc1ccc(S(=O)(=O)Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)cc1,QDFGIOJBUMTDOA-UHFFFAOYSA-N
-rxn:4:178327:224060,COC(=O)C1(c2ccc(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)cc2)CCCCC1,QGPCUIHVIVWEAU-UHFFFAOYSA-N
-rxn:4:178329:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)CC4CCCCC4)c3)c2)CC1,PLXNXUVBZWDWKO-UHFFFAOYSA-N
-rxn:4:178381:222758,Cc1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)ccc1NC(=O)OC(C)(C)C,RVLYNIUKAXGDKR-UHFFFAOYSA-N
-rxn:4:178381:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)s1,FVHIFLQCRFOHNE-UHFFFAOYSA-N
-rxn:4:178381:223775,COc1ccc2c(c1)c(-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)cn2C(=O)OC(C)(C)C,ACXGWDKZEDJUGX-UHFFFAOYSA-N
-rxn:4:178384:225711,COC(COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1)OC,QSGDDJUKEBXCTE-UHFFFAOYSA-N
-rxn:4:178384:227705,COc1cc(C(F)F)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SSIVBQIBFVJHHG-UHFFFAOYSA-N
-rxn:4:178384:228907,COc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,RJBNJTJWIGXTJL-UHFFFAOYSA-N
-rxn:4:178585:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)cc1,SPBVTIYZIHMXCW-UHFFFAOYSA-N
-rxn:4:178597:226180,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCC2)n1,YAMYAAVGNGXXBM-UHFFFAOYSA-N
-rxn:4:178597:227075,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C(C)C)c1,ASWPNBNQZNVLEL-UHFFFAOYSA-N
-rxn:4:178597:228733,COc1cc(C)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,VNMGFFOVFKWSBY-UHFFFAOYSA-N
-rxn:4:178597:229093,Cc1ncnc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KHMIJBCJTJFTEH-UHFFFAOYSA-N
-rxn:4:178676:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(F)c3OC(F)(F)F)ccc2F)CC1,IMGDRDSVLBVXMW-UHFFFAOYSA-N
-rxn:4:178897:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(CF)ccc2C(F)(F)F)CC1,MGGHPCGOXWHSAC-UHFFFAOYSA-N
-rxn:4:178933:223492,COC(=O)c1cc(F)c(F)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1F,CPNKQGNRASISAI-UHFFFAOYSA-N
-rxn:4:179721:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(OC4CCOC4=O)cc3)cc2)C1,UIIPYTXRVMWDST-UHFFFAOYSA-N
-rxn:4:179900:223847,CCCCCC1CCC(c2ccc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)cc2)CC1,IUAQHBZFLILFRI-UHFFFAOYSA-N
-rxn:4:180165:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)c2)CC1,FRSSNOGFVKJJKF-UHFFFAOYSA-N
-rxn:4:180503:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)ccc3C3CCCOC3)cc2)CC1,PXDGQNHOPWFGOV-UHFFFAOYSA-N
-rxn:4:180815:222776,COc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,YVOGIHBATNALGK-UHFFFAOYSA-N
-rxn:4:180815:223846,COc1ccc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cc1C12CC3CC(CC(C3)C1)C2,TVEPBXAXBMKKNS-UHFFFAOYSA-N
-rxn:4:180815:224063,COc1ccc(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,CYTPSOCBIZUEHK-UHFFFAOYSA-N
-rxn:4:180856:223896,COc1cccc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1C(=O)N(C(C)C)C(C)C,HOPISVYOVUBUCZ-UHFFFAOYSA-N
-rxn:4:182367:222807,O=C(NC1CC1)c1cc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc([N+](=O)[O-])c1,RCVTTXHJLZNQOC-UHFFFAOYSA-N
-rxn:4:182372:222658,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(C(=O)NC4CCCCC4)c3)cc1C2=O,DXGPVCAMIDJCNX-XBTDCMMSSA-N
-rxn:4:182376:222546,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc3C2=O)C[C@@H]1C,VZYKBJJNBRGPFL-AQKSTZRNSA-N
-rxn:4:182376:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)C(=O)[C@@]1(C2)C[C@@H](C)[C@H](OC)[C@@H](C)C1,UOPFQVPXXJULDQ-CAKCGFARSA-N
-rxn:4:182376:226330,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCCC5)s4)cc3C2=O)C[C@@H]1C,RJPNUHACOQMQDZ-FLCHPHGBSA-N
-rxn:4:182416:223466,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cn[nH]c2)cc1,ORBYPLAPVYFAHM-UHFFFAOYSA-N
-rxn:4:182416:226618,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-c3ccccn3)nc2)cc1,COYDCXABKXMXNZ-UHFFFAOYSA-N
-rxn:4:182724:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3OCC4)cc(C(F)(F)F)c2)CC1,OGEGWVOJECGEFQ-UHFFFAOYSA-N
-rxn:4:183269:223520,Cc1cc2c(cc1-c1ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)(C)C=CC2(C)C,RGDDDDCOICWHOL-UHFFFAOYSA-N
-rxn:4:183270:223884,Cc1cc2c(cc1-c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,RRQMWERVZDDESI-UHFFFAOYSA-N
-rxn:4:183272:226374,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C2CCCCC2)n1,XPFMJOXXRSWERB-UHFFFAOYSA-N
-rxn:4:183273:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,IFOGONHHRUTWNL-UHFFFAOYSA-N
-rxn:4:183273:228436,COc1ccc(F)c(Cl)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LKJOZLJTUQBWTN-UHFFFAOYSA-N
-rxn:4:183274:226712,COCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)n1,NLMPWIXYGAIPKQ-UHFFFAOYSA-N
-rxn:4:183274:228257,COc1cc(C)cc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,MJCMIKRJJLZZDT-UHFFFAOYSA-N
-rxn:4:183379:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1,SAQANVLEKPKJHT-UHFFFAOYSA-N
-rxn:4:183381:223520,CC(c1ccc(-c2cccc3c2-c2ccccc2C32CCCCC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HXSVMLCRGOMVJA-UHFFFAOYSA-N
-rxn:4:183738:224252,CCOc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)cc1S(=O)(=O)N(CC)CC,XLRAHCLXKAZQTD-UHFFFAOYSA-N
-rxn:4:183741:222896,CCOc1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)ccc1S(=O)(=O)N(CC)CC,LELHWADPCRZPSI-UHFFFAOYSA-N
-rxn:4:183767:223696,CCOc1cc(C#N)cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1OCc1ccccc1C,KGLMPTGRDUTJLN-UHFFFAOYSA-N
-rxn:4:183770:227479,CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)c(F)n1,WUQKPDHYRQJKBS-UHFFFAOYSA-N
-rxn:4:183784:224319,CCN(CC)C(=O)COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)c(C)c1,PBPNKFGOVUWBOM-UHFFFAOYSA-N
-rxn:4:183800:226844,CN(Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C,HDWNFMBYYWCVRZ-UHFFFAOYSA-N
-rxn:4:183829:225383,CC(C)(C)OC(=O)N(Cc1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)ccc1F)C1CC1,UTNHJYDPHCDFHM-UHFFFAOYSA-N
-rxn:4:183832:226021,CC(C)(C)OC(=O)N(Cc1cccc(F)c1-c1cc(Cl)ccc1OCC(F)(F)F)C1CC1,ARJRAEBDTZLXEA-UHFFFAOYSA-N
-rxn:4:183886:226844,O=C(c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YHNIMENHYQSSCR-UHFFFAOYSA-N
-rxn:4:183892:225570,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(C(=O)OC)ccc2C2CC2)c1,AGJXFLWVIPSLEE-UHFFFAOYSA-N
-rxn:4:183902:223078,CCNS(=O)(=O)c1ccc(-c2cccc(F)c2OCCCN2CCC(OC)CC2)c(C)c1,FLEXSPITNRSPFR-UHFFFAOYSA-N
-rxn:4:183963:223788,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,MKIQKYFRVTUMCE-UHFFFAOYSA-N
-rxn:4:183966:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,KLCWUPMLNWMWBY-UHFFFAOYSA-N
-rxn:4:183967:225869,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(N4CCOCC4)c(Cl)c3)ccc2Cl)C1,PVKLRCIVOCKCAB-UHFFFAOYSA-N
-rxn:4:183991:223059,Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)C2)cc1,IWJRKOWNXNCGFG-UHFFFAOYSA-N
-rxn:4:184001:228710,COC(=O)C1(c2ccc(-c3cnc(C(C)C)nc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,DWDXJKJWAGXBFE-UHFFFAOYSA-N
-rxn:4:184003:225296,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,LOSZGLUQLHYBAS-UHFFFAOYSA-N
-rxn:4:184027:223106,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cc2F)CC1,DPQCYQRUMVOTGI-UHFFFAOYSA-N
-rxn:4:184030:225166,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(C(=O)N3CCCC3)c(F)c2)CC1,IIJXACZCUGITOH-UHFFFAOYSA-N
-rxn:4:184039:225118,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)c2)ccc1OC(C)C,JYTIDPPWRVJOLJ-UHFFFAOYSA-N
-rxn:4:184049:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,VWQRSVDXHVPLBG-UHFFFAOYSA-N
-rxn:4:184053:226130,CN(Cc1cc(-c2ccc(CN3CCCC3)cc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,JYCLCUJCJKKQQF-UHFFFAOYSA-N
-rxn:4:184054:222693,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,HDRYVSOBNGGVRI-UHFFFAOYSA-N
-rxn:4:184060:222896,Cc1ccc(C)c(N2CC(C(=O)OCC(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2=O)c1,CXMYBRSKVAMMGR-UHFFFAOYSA-N
-rxn:4:184061:226006,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4cc(F)cc(OCC(F)(F)F)c4)cc3)C2)cc1,RCZXLVQFRHGUEQ-UHFFFAOYSA-N
-rxn:4:184091:225222,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1cc(N2CCCCC2C)ncc1F,OGCRGQPCMHTHCX-UHFFFAOYSA-N
-rxn:4:184099:226073,CC(c1ccc(-c2ccc3cc(C#N)ccc3c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,DXCGHICUPISRHR-UHFFFAOYSA-N
-rxn:4:184184:225284,CCOC(=O)c1cc2cc(-c3cnc(C(F)(F)F)c(CC(C)C)c3)ccc2n1CCC1CCCCC1,XLLGRZBKIJNEJC-UHFFFAOYSA-N
-rxn:4:184191:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCCOc2ccc(C(C)(C)C)cc2)s1,OWJVKAMDYSBTHZ-UHFFFAOYSA-N
-rxn:4:184218:222896,COc1cccc(CN(C(=O)c2oc3cc(-c4ccc(CNC(=O)OC(C)(C)C)s4)ccc3c2C)C2CCS(=O)(=O)C2)c1,JUWDTRUXMMFEHF-UHFFFAOYSA-N
-rxn:4:184225:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1,MAXIIWCKECWWRQ-UHFFFAOYSA-N
-rxn:4:184226:222896,COc1cc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1OCc1ccccc1C,ADLWROBPNVNNGV-UHFFFAOYSA-N
-rxn:4:184276:224817,N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(-c2ccccc2S(=O)(=O)N2CCOCC2)c1,NUWYHRSJNYTHAM-UHFFFAOYSA-N
-rxn:4:184615:224775,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1,WFOKFIJUYIPECT-UHFFFAOYSA-N
-rxn:4:184799:223586,COc1ccc(COc2cc(-c3ccccc3S(=O)(=O)N3CC(OCC(F)(F)F)C3)cc(C(F)(F)F)c2)cc1,YGEIILOUKVUPJY-UHFFFAOYSA-N
-rxn:4:184818:223831,CCN(CC)CCc1ccc(F)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,DIQGNNFWMVUTLT-UHFFFAOYSA-N
-rxn:4:184894:222896,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)SC1=S,ICXZWXNFVBBZTL-UHFFFAOYSA-N
-rxn:4:184908:224101,COc1ccc(OCC(=O)N2CCCC2)c(-c2cccc(OCCN3CCC(C)CC3)c2)c1,WTMYLSKVRBGJAB-UHFFFAOYSA-N
-rxn:4:184930:223972,CC1CCCCN1c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)c(C(F)(F)F)c1,LEVKGOLLHAYYFK-UHFFFAOYSA-N
-rxn:4:184931:222896,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)SC1=S,WQNXAVDEALOSJP-UHFFFAOYSA-N
-rxn:4:184936:222639,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1,FOOATHATEMBVBV-SFHVURJKSA-N
-rxn:4:184952:224810,CN(Cc1ccc(F)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C,DYOIUVDDURBIPM-UHFFFAOYSA-N
-rxn:4:185004:226515,CCc1ncc(C(=O)OC)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCCC1,CRBRJRHRGAHSSN-UHFFFAOYSA-N
-rxn:4:185018:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1OCCCN1CCCCC1,UPPIFOZHAPCXIS-UHFFFAOYSA-N
-rxn:4:185019:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CC(=O)N(C(C)C)C(C)C)cc2)c1,MISUZLZAYMUAJR-UHFFFAOYSA-N
-rxn:4:185028:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccccc2SC2CN(C(=O)OC(C)(C)C)C2)cc1,DUKVQMJWVXZDLB-UHFFFAOYSA-N
-rxn:4:185030:224800,CC(C)Oc1cc(-c2ccc(OCCCN3CCC(F)(F)CC3)cc2)ccc1OC(F)(F)F,VBRVFPZMXOVKQV-UHFFFAOYSA-N
-rxn:4:185038:225302,CC(C)(C)c1cnc(C(F)(F)F)cc1-c1ccc(OCC2CCN(CC(F)F)CC2)cc1,CDGLFIVESVJLQE-UHFFFAOYSA-N
-rxn:4:185046:224351,Fc1cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)ccc1OCCCN1CCC(F)(F)CC1,DFIWQABWWSSVCB-UHFFFAOYSA-N
-rxn:4:185048:225915,CCOc1cc(-c2ccc(OCCN3CCC(C(F)(F)F)CC3)cc2)ccc1C(F)(F)F,LDQUTLNPMGALIU-UHFFFAOYSA-N
-rxn:4:185054:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(OCCN4CCCC(C(F)(F)F)C4)c3)c(F)c2)CC1,IVDBQCNJFLEWAQ-UHFFFAOYSA-N
-rxn:4:185062:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1,OXUWSJVIBZICRW-UHFFFAOYSA-N
-rxn:4:185063:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CC(COc5ccc(F)cc5)C4)c3)cc2F)CC1,GTILNFUODNVPIH-UHFFFAOYSA-N
-rxn:4:185108:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,RNYKRHJRVDHZEF-UHFFFAOYSA-N
-rxn:4:185122:222896,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)o2)SC1=S,QPBPJYCLWKSCIB-UHFFFAOYSA-N
-rxn:4:185185:224734,CC1CCN(CCCOc2cccc(-c3ccc(C(F)(F)F)cc3OCC3CC3)c2)CC1,PHKCIANEBJNAOM-UHFFFAOYSA-N
-rxn:4:185229:222890,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCCNC2)n1,RXTFOCFLERFAFN-UHFFFAOYSA-N
-rxn:4:185252:224406,O=C(c1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCc1ccccc1)N1CCOCC1,XUAKZIQIODYBCL-UHFFFAOYSA-N
-rxn:4:185265:225341,CCOc1ccc(OC(F)(F)F)c(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)c1,VTZFRFHQGKAWKP-UHFFFAOYSA-N
-rxn:4:185298:225325,CCOC(=O)c1cc(-c2ccc(N3C(=O)C(=Cc4ccc(OCC)c(OC)c4)SC3=S)cc2)cc([N+](=O)[O-])c1,WVKCYLHTOPKSGJ-UHFFFAOYSA-N
-rxn:4:185312:226007,COc1cc(-c2ccc(F)c(OCC(F)(F)F)c2)ccc1C1CCCN1C(=O)OC(C)(C)C,CZVUGXPEXSFULM-UHFFFAOYSA-N
-rxn:4:185317:223816,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)c2)C1,SOMJMDQBDKFIQC-UHFFFAOYSA-N
-rxn:4:185322:226728,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OCC(F)F)cc3F)ccc2Cl)CC1,YXQOJCQTVZXBPT-UHFFFAOYSA-N
-rxn:4:185325:225056,CC1CCCN(c2ccc(-c3cccc(OC(C)C)c3CN3CCCC(C(F)(F)F)C3)c(F)c2)C1,QYOMIFUCKYXSAV-UHFFFAOYSA-N
-rxn:4:185328:222705,O=C(c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)c(OCc2ccccc2)c1)N1CCCCC1,OQEWLIHYPDFYJX-UHFFFAOYSA-N
-rxn:4:185355:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,QPSIYLLUFHKHMS-UHFFFAOYSA-N
-rxn:4:185379:225166,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)c2)CC1,PWRSXLACAVKVDA-UHFFFAOYSA-N
-rxn:4:185386:228742,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3cc(Cl)cc(C#N)c3)c2)C1,BSBZAJPDYIGLAC-UHFFFAOYSA-N
-rxn:4:185398:226143,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(C)c(OC(C)C)c(C)c2)c1,DOVUTMCCRVAGBN-UHFFFAOYSA-N
-rxn:4:185409:223676,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(OCc4ccccc4)cc(C(F)(F)F)c3F)cc(C3CC3)c2)C1,XOYBJZOHKBFSNM-UHFFFAOYSA-N
-rxn:4:185414:222442,Cc1cc(Cl)cc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c1OC1CCN(C(=O)OC(C)(C)C)CC1,UVLJFTOTIFVGMQ-UHFFFAOYSA-N
-rxn:4:185415:225607,CC(c1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCCCC1,XGSKZQCEWDLMFZ-UHFFFAOYSA-N
-rxn:4:185423:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,JIRISEJBOJQWCT-UHFFFAOYSA-N
-rxn:4:185423:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2Cl)CC1,FZUZRXRRYKPQEA-UHFFFAOYSA-N
-rxn:4:185428:223979,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)CC1,OYWNPTPXFGQWOU-UHFFFAOYSA-N
-rxn:4:185431:222896,COc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1C1SCCN1S(=O)(=O)c1ccc(C(C)C)cc1,PUCSZNSPTVTBLZ-UHFFFAOYSA-N
-rxn:4:185449:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cnc21,RBWYUTGGJJCHJH-UHFFFAOYSA-N
-rxn:4:185453:224487,O=S(=O)(Oc1cc2c(-c3cccc(OCCN4CCCCC4)c3)cccc2n1CC(F)(F)F)C(F)(F)F,ZWAHAFQANFQUQA-UHFFFAOYSA-N
-rxn:4:185453:225770,O=S(=O)(Oc1cc2c(-c3c(F)cc(OCC4CC4)cc3F)cccc2n1CC(F)(F)F)C(F)(F)F,OTPSVEDARSWOAI-UHFFFAOYSA-N
-rxn:4:185466:223559,CCN(CC)C(=O)Oc1ccc2ccccc2c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,APHGSZRADZRPSS-UHFFFAOYSA-N
-rxn:4:185491:223583,CON=CC(C)C(=O)c1ccc2c(-c3cn(C(=O)OC(C)(C)C)c4cc(C(=O)OC)ccc34)c(OC)ccc2c1,MUKBFCWYIJIGIX-UHFFFAOYSA-N
-rxn:4:185491:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc3cc(C(=O)C(C)C=NOC)ccc23)c1,UXDCCUKBAKWZCZ-UHFFFAOYSA-N
-rxn:4:185546:227751,COC(=O)c1cc(-c2ccc(C(F)(F)F)c(Cl)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,WNGOPVQIJSUCAT-UHFFFAOYSA-N
-rxn:4:185557:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c23)cc1,LKRKYCDUYMONPC-UHFFFAOYSA-N
-rxn:4:185587:225177,O=C(C1CCCCC1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2ccc(CN3CCSCC3)c(F)c2)cc1,HWOBZTLULBEGDW-UHFFFAOYSA-N
-rxn:4:185605:222896,CCOc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)c3)c3ccccc3S2(=O)=O)cc1,YOHGQIXIFRFSKT-UHFFFAOYSA-N
-rxn:4:185732:222546,N#CC(C(=O)C(F)(F)F)c1cccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,FWEQPAWGYQWHLI-UHFFFAOYSA-N
-rxn:4:185748:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ncccc3OC(C(F)(F)F)C(F)(F)F)c2)C1,CYZDJDXJGRICEQ-UHFFFAOYSA-N
-rxn:4:185836:223785,CCOC(=O)c1c(F)cc(C#N)cc1-c1ccc(OCCN2CCN(CC)CC2)c(Cl)c1,XEGMJOLDUXKPGJ-UHFFFAOYSA-N
-rxn:4:186303:223606,CCCCOc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1C,OKWVFRCGYHIUGV-UHFFFAOYSA-N
-rxn:4:186462:223810,Cc1cc(-c2ccc([N+](=O)[O-])c(OCC3CCC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,NHNVSZCAVUASFR-UHFFFAOYSA-N
-rxn:4:186479:222699,FC(F)(F)Oc1cc(CN2CCC2)cc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)c1,GZKVJCWBTQEURN-UHFFFAOYSA-N
-rxn:4:186712:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cc(CN4CC(C(=O)OC)C4)c3)c(F)c2)CC1,HWLRVDMFYDFUGY-KESTWPANSA-N
-rxn:4:186745:222863,CCCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCCC3)c2)ccc1Cl,OLINSJCFQOIZIC-UHFFFAOYSA-N
-rxn:4:186747:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(C(F)(F)F)c1C(=O)N1CC(OC)C1,YWLNRYUPRZPEGY-UHFFFAOYSA-N
-rxn:4:186873:222522,COc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1,RJPFVBQROHEIKO-UHFFFAOYSA-N
-rxn:4:186942:222718,COC(=O)c1ccc(CN2CCCC2)c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,CYFBBLIIXICQAH-UHFFFAOYSA-N
-rxn:4:186954:223866,COC(=O)C1CN(Cc2ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc2C)C1,SXAYXTPOXJQKQA-UHFFFAOYSA-N
-rxn:4:186991:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)s1,YWLHGIGDRQBGMJ-UHFFFAOYSA-N
-rxn:4:186999:225161,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2ccc(F)c(C(=O)N3CCCC3)c2)c1,LJEWRRGWBRAKDB-UHFFFAOYSA-N
-rxn:4:187013:223675,O=C(c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1OC(F)(F)F)N1CCCCC1,YBXKKRMEJPVSJY-UHFFFAOYSA-N
-rxn:4:187088:226001,N#Cc1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(F)(F)CC2)ccc1OC(F)(F)F,NRSWDHUJXQFFAS-UHFFFAOYSA-N
-rxn:4:187091:224777,O=C(c1ccc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)cc1)C1CCN(C(=O)C(F)(F)F)CC1,PBPUXXLEEFKDPC-UHFFFAOYSA-N
-rxn:4:187091:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1,OPCHTUGVHHYIDJ-UHFFFAOYSA-N
-rxn:4:187095:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCOC(C)C2)c1,MMSCNVYBWYGVHK-UHFFFAOYSA-N
-rxn:4:187116:224973,Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,XLHOYBLANVFIEZ-UHFFFAOYSA-N
-rxn:4:187147:223895,CCN1CCN(CCOc2ccc(-c3ccc(F)cc3CC(=O)N3CCC(C(F)(F)F)CC3)cc2)CC1,USRBVGCOYXGCKZ-UHFFFAOYSA-N
-rxn:4:187154:222697,O=C(CS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)cc1)N1CCC(F)(F)CC1,ACPPTZLTHHKZGQ-UHFFFAOYSA-N
-rxn:4:187185:224161,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)C1,AVXSCTYQFMEBQI-UHFFFAOYSA-N
-rxn:4:187194:224017,Cc1cc(OCCN2CCCC2=O)cc(C)c1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,PZDGWXIHVVVZGC-UHFFFAOYSA-N
-rxn:4:187198:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(C(=O)OC)c3)c(F)c2)CC1,MVBBXFHFNNGANP-AFARHQOCSA-N
-rxn:4:187206:222886,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(N4CCNCC4)cc3C#N)c(Cl)c2)C1,DWPXEXPSOUOHHO-UHFFFAOYSA-N
-rxn:4:187212:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)c2)CC1,OVPMBJIQYKSPNC-UHFFFAOYSA-N
-rxn:4:187220:224306,CC(C)(C)OC(=O)N1CC(c2ccc(F)c(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c2)C1,LEAPKVAFASVXAW-UHFFFAOYSA-N
-rxn:4:187303:223712,COc1ccc(-c2ccc(F)cc2CCN2CCC(OC)CC2)cc1C12CC3CC(CC(C3)C1)C2,LBLARINOQDXPNI-UHFFFAOYSA-N
-rxn:4:187313:224379,CCOc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1,JSXZDEHGBCYRNW-UHFFFAOYSA-N
-rxn:4:187313:225165,CCOc1ccc(-c2ccc(N3CCOCC3)c(OC)c2)cc1S(=O)(=O)N1CCCCC1,LWHNBFOUNUAQPJ-UHFFFAOYSA-N
-rxn:4:187368:222633,CCN(C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c(Cl)c1)C1CCCCC1,UQBXBHFIZMSQAD-UHFFFAOYSA-N
-rxn:4:187374:225666,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(F)cc(N4CCCCC4)c3)c2)CC1,PYTAWKSGHWNRMQ-UHFFFAOYSA-N
-rxn:4:187389:226604,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(Cl)c(F)c(OC(C)C)c1,BNKXXNWUKCTBBT-UHFFFAOYSA-N
-rxn:4:187396:222896,CN1C(=O)C(=Cc2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc2OCc2ccc(Cl)cc2)SC1=S,XZHSVWKMYYTCHZ-UHFFFAOYSA-N
-rxn:4:187416:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)cc1,YFJIQTFSVZLVJW-UHFFFAOYSA-N
-rxn:4:187419:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C)c2)cc1,ONJCRSKOVRHEJP-UHFFFAOYSA-N
-rxn:4:187426:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(C)CC4)c(C(=O)OC)c3)c(F)c2)CC1,COCOHHNETILFLB-YHBQERECSA-N
-rxn:4:187431:224372,COC(=O)c1cc(CN2CCCCC2C)cc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c1,JQCYEYKLCSIXFY-UHFFFAOYSA-N
-rxn:4:187445:225206,Cc1cc(C2CC2)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1C(F)(F)F,MMVIKOMAIJUMIQ-UHFFFAOYSA-N
-rxn:4:187506:222695,Cc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)cc1S(=O)(=O)NC1CCCC1,FCQJIYIJQRAMGT-UHFFFAOYSA-N
-rxn:4:187550:222896,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccc(CNC(=O)OC(C)(C)C)s1,URYWFKCVJFRQKF-UHFFFAOYSA-N
-rxn:4:187566:224592,Cc1ccc(S(=O)(=O)N(c2ccc(-c3cc(C4(C#N)CCCCC4)ccc3F)cc2)C2C=CS(=O)(=O)C2)cc1,YNYCZQFDWXRNHS-UHFFFAOYSA-N
-rxn:4:187595:224811,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)CC1,LTIMWKVLVCZJHW-UHFFFAOYSA-N
-rxn:4:187597:223681,CC(C)(C)OC(=O)n1c(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)cc2cc([N+](=O)[O-])ccc21,IUJFIKJPAMIETI-UHFFFAOYSA-N
-rxn:4:187634:225943,O=C(c1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCOCC1,BYIDDPGZNSPHGH-UHFFFAOYSA-N
-rxn:4:187662:226059,Cc1cc(-c2ccc(C(C)C)cc2C(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,FROJITLGNYWYDX-UHFFFAOYSA-N
-rxn:4:187697:223832,COC(=O)c1cc(OC(F)F)c2nc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)sc2c1,XWBOBRZPPPBBKF-UHFFFAOYSA-N
-rxn:4:187749:223694,CCOC(=O)c1cnc2c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc(C(F)(F)F)cc2c1Cl,QTGJTOMYYLFEGH-UHFFFAOYSA-N
-rxn:4:187758:223815,CCOC(=O)c1[nH]c2c(C(C)=O)cccc2c1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,YNXOESCZMIXFTP-UHFFFAOYSA-N
-rxn:4:187827:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c2c1ccn2C(=O)OC(C)(C)C,XGBCNKNPYHRWEQ-UHFFFAOYSA-N
-rxn:4:187843:224317,CCCCCN1Cc2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)ccc2OCC1=O,WXBLLGFKPWVOIZ-UHFFFAOYSA-N
-rxn:4:187879:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCC(=O)N2CC(=O)OC(C)(C)C,WUYAEAMUFMTXSL-UHFFFAOYSA-N
-rxn:4:187916:225878,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(Cl)cc(N2CCOCC2)c1,XAQWAMDVWLZIID-UHFFFAOYSA-N
-rxn:4:187920:223999,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,ZLSIPRAJTVQIDD-UHFFFAOYSA-N
-rxn:4:187943:223736,COc1ccc(-c2ccc(OCc3ccccc3)c(C(C)(C)C)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,FEZWJZKMZMKMJD-UHFFFAOYSA-N
-rxn:4:187961:224719,COC(=O)Cc1cc2c(n1-c1ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc1)CC(C)(C)CC2=O,DKWMMRQXZOJTOW-UHFFFAOYSA-N
-rxn:4:187961:224937,CCOC(=O)C1(c2ccc(-c3ccc(-n4c(CC(=O)OC)cc5c4CC(C)(C)CC5=O)cc3)cc2)CC1,XYMXFWQDMBDUBW-UHFFFAOYSA-N
-rxn:4:187968:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1,GYLIAVPEIIONKI-UHFFFAOYSA-N
-rxn:4:187970:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)cc1,DTSCNBMRHNMSIP-UHFFFAOYSA-N
-rxn:4:187970:224199,CC(=O)N1CCN(Cc2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ccccc34)cc2)CC1,ZPSDSRFDWYVPIN-UHFFFAOYSA-N
-rxn:4:189090:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OC2CCC2)cc1S(=O)(=O)NC1CCCCC1,YPIAZXFYYVCRDI-UHFFFAOYSA-N
-rxn:4:189389:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)s1,LZDZQFGMDBGPHO-UHFFFAOYSA-N
-rxn:4:189428:223998,CSC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)o2)C1,IVABYASVOPXLSI-UHFFFAOYSA-N
-rxn:4:189521:223814,COC1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)o2)C1,JSIDOUHBFRKTLJ-UHFFFAOYSA-N
-rxn:4:189552:224008,COC(=O)c1cnc(C2CCOC2)cc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,ZJZKBMLSFKLYOD-UHFFFAOYSA-N
-rxn:4:189599:222393,Cc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1,PFDRIYOJOKCZPA-WGSAOQKQSA-N
-rxn:4:189608:222819,O=C(Nc1ccc(-c2cc(OC(F)(F)F)cc(N3CCC(F)(F)C3)c2)cn1)N1CCOCC1,TXBZKBGJWPSASL-UHFFFAOYSA-N
-rxn:4:189852:222896,COC(=O)c1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)ccc1N1CCCS1(=O)=O,YZAXGMXMTIZNQP-UHFFFAOYSA-N
-rxn:4:189868:225112,CCOc1cc(-c2ccc(C(=O)N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1OC(C)C,PKKMALHUXLSYCU-UHFFFAOYSA-N
-rxn:4:189949:223897,Cc1ccc(-c2cc(F)c([N+](=O)[O-])c(OC3CCCCC3)c2)cc1OCCCN1CCOCC1,QYHGPWPVCHMTAF-UHFFFAOYSA-N
-rxn:4:189965:222896,CCN1C(=O)C(=Cc2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc2OC)SC1=S,WLLBPFHIOHGHNS-UHFFFAOYSA-N
-rxn:4:190015:224319,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,QZNPAIPWCPBMMH-UHFFFAOYSA-N
-rxn:4:190053:225061,CC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCCC3)c(F)c2)CC1,DSSBCSPENUIQDK-UHFFFAOYSA-N
-rxn:4:190054:225207,Cc1c(-c2ccc(CC(=O)N3CCC(F)(F)CC3)cc2F)cc(C2CC2)cc1C(F)(F)F,IERVGUCOCMJGJE-UHFFFAOYSA-N
-rxn:4:190111:222628,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,IJRKGRQSCIZSMU-UHFFFAOYSA-N
-rxn:4:190116:223589,CCc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1S(=O)(=O)N1CCCC1,JNPICGPFAJTFGP-UHFFFAOYSA-N
-rxn:4:190124:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CCCCC4)nc3C(=O)OC)c(F)c2)CC1,OAGKHYBLOKTRNL-UHFFFAOYSA-N
-rxn:4:190152:222896,CCC(C)N1C(=O)SC(=Cc2cccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)C1=O,RKHSCTHVGPPZMS-UHFFFAOYSA-N
-rxn:4:190152:224847,CCC(C)N1C(=O)SC(=Cc2cccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c2)C1=O,CZNFZWBZRGQCLL-UHFFFAOYSA-N
-rxn:4:190162:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCC(F)(F)CC2)cc(Cl)c1OC,XCECLJQPJIEJER-UHFFFAOYSA-N
-rxn:4:190166:224682,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1Cl)N1CCCCC1,KSFYWZKHLIXEBT-UHFFFAOYSA-N
-rxn:4:190166:225641,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)ccn2)C1,SQMJXCBYAJVJSS-UHFFFAOYSA-N
-rxn:4:190171:226270,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2cccc(C=C(C#N)C#N)c2)C(=O)O1,PPLRBAKNMTXPIV-UHFFFAOYSA-N
-rxn:4:190213:223993,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,MTYTZBPEYFWNIL-UHFFFAOYSA-N
-rxn:4:190251:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(CC(=O)N4CCCCCC4)cc3)cc2F)CC1,NTPQQCYOYDPFDI-UHFFFAOYSA-N
-rxn:4:190274:223993,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,STVIBFKJRJHIIK-UHFFFAOYSA-N
-rxn:4:190299:222896,COc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O,GWBZBVVSORJBMI-UHFFFAOYSA-N
-rxn:4:190335:225220,COc1c(Cl)cc(C(=O)N2CCCCC2C)cc1-c1cnc(N2CCCCC2C)c(Cl)c1,IIJURKUEJIPKBW-UHFFFAOYSA-N
-rxn:4:190354:223168,Cc1cc(-c2cccnc2N2CCNCC2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,QBPATBWEJWYXJK-UHFFFAOYSA-N
-rxn:4:190354:225634,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,HFUMGSPOGAROSZ-UHFFFAOYSA-N
-rxn:4:190354:226366,Cc1cc(-c2ccnc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KGLYCMMAPWPQFU-UHFFFAOYSA-N
-rxn:4:190376:222913,COc1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,KTRBCWQKKACPLZ-UHFFFAOYSA-N
-rxn:4:190377:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DPQJKSKJHRGYAP-UHFFFAOYSA-N
-rxn:4:190388:224886,CC1CCN(Cc2ccc(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)cc2)CC1,XCNZTFZLABHRLI-UHFFFAOYSA-N
-rxn:4:190410:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(C3CCN(C(=O)C(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,YNRCPBXEOCCABY-UHFFFAOYSA-N
-rxn:4:190447:224076,Cc1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)ccc1N1CCCC(C(=O)C(C)C)C1=O,GMRSMVNZSCTJKS-UHFFFAOYSA-N
-rxn:4:190461:224286,O=C(c1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)ccc1Cl)N1CCSC(c2ccccc2F)CC1,FQGRPAHMIAJBCS-UHFFFAOYSA-N
-rxn:4:190469:222619,O=C(NCc1ccc(-c2cccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)o3)c2)cc1)C1CCCCC1,YGZZRCAAFCYISB-UHFFFAOYSA-N
-rxn:4:190469:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)o3)c2)s1,UWQKFYDINQNULN-UHFFFAOYSA-N
-rxn:4:190471:225228,Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1-c1ccc(N2CCN(C)CC2)cc1F,WZDFDBXQIWLODF-UHFFFAOYSA-N
-rxn:4:190472:222453,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1,SKAKXOBYJUUNMG-UHFFFAOYSA-N
-rxn:4:190472:224584,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(C(=O)N2CCC(C)CC2)c1,BHSOMKALZGSZKY-UHFFFAOYSA-N
-rxn:4:190485:224768,O=C(c1cccc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c1)N1CCC(c2ccccc2F)S(=O)(=O)CC1,XVZSCLDTNQHUMA-UHFFFAOYSA-N
-rxn:4:190494:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2CC)c(C)c(C)c1C,ILLBDNZOKCZAMF-UHFFFAOYSA-N
-rxn:4:190897:224760,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,VQWWPRKBFQIRAC-UHFFFAOYSA-N
-rxn:4:190929:222882,CC(C)(C)NC(=O)c1ccc(F)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2=O,YSDJAGNYBUTFQY-UHFFFAOYSA-N
-rxn:4:190946:222896,COC(=O)C1=CN(c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)c2ccc(F)cc2S1(=O)=O,DFBLACMJJRMCMX-UHFFFAOYSA-N
-rxn:4:190953:223772,COc1ccc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c2c1,BNWBDQFBYCOLNU-UHFFFAOYSA-N
-rxn:4:190972:225300,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(OC3CCOCC3)nc2F)o1,PXKBXVTUQJCMDG-UHFFFAOYSA-N
-rxn:4:190988:225337,CC(C)(C)OC(=O)N1CCOc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)ccc2C1,UUVZMIINGISEPV-UHFFFAOYSA-N
-rxn:4:191006:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,ALZJNEXMSKWAQW-UHFFFAOYSA-N
-rxn:4:191008:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,FDZBCMKGAHJEHL-UHFFFAOYSA-N
-rxn:4:191022:222896,COC(=O)C1=CN(c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c(C)c2)c2ccccc2S1(=O)=O,ZOVYHOGWSHKJOX-UHFFFAOYSA-N
-rxn:4:191023:222896,CC1Oc2ccccc2C(=O)N(CC(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)C1=O,CELBZTCRRCWVLW-UHFFFAOYSA-N
-rxn:4:191026:222896,COC(=O)C1=CN(c2ccc(C)c(Cl)c2)c2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc2S1(=O)=O,VUQDKJOKTSLIHO-UHFFFAOYSA-N
-rxn:4:191028:222896,COC(=O)C1=CN(c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c(C)c2)c2ccc(F)cc2S1(=O)=O,BFNLJZQLQOMYJG-UHFFFAOYSA-N
-rxn:4:191030:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1Cl,KWZBSOZBUVCLCJ-UHFFFAOYSA-N
-rxn:4:191030:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc2c(c1)C(C)(C)N(C(=O)OC(C)(C)C)C2,NUUCQFBEDBVWEI-UHFFFAOYSA-N
-rxn:4:191041:226425,CC1CCCCN1c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1,CCMOBQZWCZLXTD-UHFFFAOYSA-N
-rxn:4:191057:223882,Cc1cccc2c1cc(-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC31CC1)n2C(=O)OC(C)(C)C,RYKTXNQDJNUXJR-UHFFFAOYSA-N
-rxn:4:191062:225447,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCCCC2)cc1,FHVJIGJPZSIKAE-UHFFFAOYSA-N
-rxn:4:191062:225829,CC1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cn2)CC1,SSAXUQICWRPYAG-UHFFFAOYSA-N
-rxn:4:191062:226649,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccnc1N1CCOCC1,GCEFKEUXZXUTPW-UHFFFAOYSA-N
-rxn:4:191062:226685,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCOCC2)nc1,QSQFAKORMMREMQ-UHFFFAOYSA-N
-rxn:4:191062:226913,CCc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CC2)c1,VYWNHEJRMBBZMZ-UHFFFAOYSA-N
-rxn:4:191062:227403,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCCC2)s1,BYVDADMYHRHSCW-UHFFFAOYSA-N
-rxn:4:191071:223175,CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CN(CCC2=CCCCC2)C(=O)CO3)c1,YQBKUKIMWVDQPS-UHFFFAOYSA-N
-rxn:4:191087:225567,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1C(=O)OC(C)C,HXOCSKKNJHGJEP-UHFFFAOYSA-N
-rxn:4:191089:223074,CC(C)(C)OC(=O)N1Cc2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc2C(C)(C)C1,QSIQVYAEQHSWGN-UHFFFAOYSA-N
-rxn:4:191091:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,RHKQJWWCSFNPOC-IBGZPJMESA-N
-rxn:4:191092:225441,CC(C)(C)OC(=O)N1Cc2cc(-c3cc(C4CC4)cnc3C(C)(C)C)ccc2CC1(C)C,CDESIXBRENDOED-UHFFFAOYSA-N
-rxn:4:191097:222545,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc21,XDUAUODCOOYADC-UHFFFAOYSA-N
-rxn:4:191103:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C,GLKKVFVQHSXFBX-UHFFFAOYSA-N
-rxn:4:191104:227059,COc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)cc1C(C)C,UGRCBQZMIWDRRA-UHFFFAOYSA-N
-rxn:4:191105:226913,CCc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,IPQKWTAEOPQJMM-UHFFFAOYSA-N
-rxn:4:191105:226989,CCN(CC)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,MBHWMBMWWZURKJ-UHFFFAOYSA-N
-rxn:4:191105:227075,COc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,HHCPXBKEUIWJGJ-UHFFFAOYSA-N
-rxn:4:191118:227933,CCc1ccc(OC)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,CXFRMYAAVLVRHZ-UHFFFAOYSA-N
-rxn:4:191124:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,MHGWPTYREHIELO-UHFFFAOYSA-N
-rxn:4:191124:224420,Cc1cc2c(cc1-c1ccc3c(c1)C1(CC3)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)CCC2(C)C,NYRUTBTVGWVVRB-UHFFFAOYSA-N
-rxn:4:191136:225053,CC1CCCCN1c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc(C(F)(F)F)c5)C(=O)C34)cc2)c(F)c1,NJYVLXBGPJLALQ-UHFFFAOYSA-N
-rxn:4:191193:222702,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(C4CCCNC4)ccc2C(F)(F)F)c1)N(CC1CCCO1)C3=O,DNYBOXBOBZBNPR-UHFFFAOYSA-N
-rxn:4:191194:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,ODIPDQLNXVEYRP-UHFFFAOYSA-N
-rxn:4:191194:224060,COc1c(C(C)(C)C)cc(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1C(C)(C)C,JHICZWHWDUTYAV-UHFFFAOYSA-N
-rxn:4:191195:224940,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cncc(OCc3ccccc3)c1)c1c2CCC1,KKZXJMVOEILUAK-UHFFFAOYSA-N
-rxn:4:191195:226974,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3c(c1)COC3(C)C)c1c2CCC1,HQYHUJKTAPHBNC-UHFFFAOYSA-N
-rxn:4:191195:228513,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccccc1C1CC1)c1c2CCC1,FVHIXQGOZNCJCP-UHFFFAOYSA-N
-rxn:4:191197:222896,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1)N(CC1CCCO1)C3=O,CMXVZYSCIVKARR-UHFFFAOYSA-N
-rxn:4:191204:222896,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc12,ORUSJGHHBQEJSP-UHFFFAOYSA-N
-rxn:4:191414:222439,O=C(c1ccnc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1Cl)C(F)(F)F,IAEOGJZJHSOGEJ-UHFFFAOYSA-N
-rxn:4:191540:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(CC(F)(F)F)n3)cc2Cl)CC1,DAOIRRGFWVCADS-UHFFFAOYSA-N
-rxn:4:192144:223490,Cc1cc(CON)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QUDVBBMZHANQMX-UHFFFAOYSA-N
-rxn:4:193071:222524,Cc1cc(F)c(C(=O)N2CCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,XWEWBLAUHHWMNW-UHFFFAOYSA-N
-rxn:4:193122:223993,Cc1cc(-c2cc(C(=O)N3CCCC3)cc(F)c2F)ccc1S(=O)(=O)N1CCN(C)CC1,ITRRPXPGSKWTME-UHFFFAOYSA-N
-rxn:4:193280:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCSCC4)c(F)c3Cl)c(F)cc2C)CC1,VFEZFPNCELSRSV-UHFFFAOYSA-N
-rxn:4:193295:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cccc(N3CCC(F)(F)C3)c2C(F)(F)F)c1,CPSWNLRFSLJPEU-UHFFFAOYSA-N
-rxn:4:193355:222465,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CCSCC1,PSFXACOUWOKYQX-UHFFFAOYSA-N
-rxn:4:193485:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)c(C(=O)N4CCCC4)cc3F)c2)CC1,YHEAQNLXLYCSSR-UHFFFAOYSA-N
-rxn:4:193488:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(C(=O)N4CCCC4)c3F)c2)CC1,JWHJBJOKGLZSDY-UHFFFAOYSA-N
-rxn:4:193490:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(C(=O)N4CCCC4)c3C)c2)CC1,PICWUXLMBIUQSM-UHFFFAOYSA-N
-rxn:4:193496:224065,CC1CCN(c2cc(-c3cccc(C(=O)N4CCS(=O)(=O)CC4)c3)cc(C3CC3)c2)CC1,XQCBFOLLMOTXMJ-UHFFFAOYSA-N
-rxn:4:193497:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)c2)CC1,FNFZGRKOUCTTOY-UHFFFAOYSA-N
-rxn:4:193503:224378,Cc1c(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,YAUNOIXCRKVOFO-UHFFFAOYSA-N
-rxn:4:193558:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)cc(C(F)(F)F)c2)CC1,IEAIAOUWGZYOOE-UHFFFAOYSA-N
-rxn:4:193562:224018,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,GKQIJKIDKMCGMI-UHFFFAOYSA-N
-rxn:4:193626:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C=C2SC(=S)N(C(C)C)C2=O)cc1,QYNWXQCIUWELSD-UHFFFAOYSA-N
-rxn:4:193645:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)c(N4CCC(F)(F)CC4)c3)cc2F)CC1,LWPXSWXJSVDRJF-UHFFFAOYSA-N
-rxn:4:193679:223811,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cnc1C1CCCCC1,YTGIYUXKHQEETL-UHFFFAOYSA-N
-rxn:4:193855:224290,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1ccc(Cl)cc1OCCN1CCOCC1,JQZKXPDGQANMKF-LJQANCHMSA-N
-rxn:4:193866:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3Cl)c2)CC1,DGYKKYSYZPSUEM-UHFFFAOYSA-N
-rxn:4:193867:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cc(C4(N5CCC(=O)CC5)CC4)c3)cc2)CC1,VKCYYWPJAXDPBT-UHFFFAOYSA-N
-rxn:4:193886:225227,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,KWVGALRLQVIYPR-UHFFFAOYSA-N
-rxn:4:193888:225215,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,SKVVFNRKOGGAKN-UHFFFAOYSA-N
-rxn:4:193888:225227,Cc1cc(-c2cnc(N3CCC(C)CC3)c(Cl)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,JGNGSUKNWYRMFR-UHFFFAOYSA-N
-rxn:4:193910:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C=C3SC(=S)N(C4CCS(=O)(=O)C4)C3=O)cc2)s1,AXAGAATULDBQSD-UHFFFAOYSA-N
-rxn:4:193910:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(C=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)cc1,RDYYUZPBUAKRED-UHFFFAOYSA-N
-rxn:4:193974:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)s1,NMYJHRKCOBMIDP-UHFFFAOYSA-N
-rxn:4:193992:222537,Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,VJDKRQMRTZQCHI-UHFFFAOYSA-N
-rxn:4:193998:222823,Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1C,YBRYDOFROATFNX-UHFFFAOYSA-N
-rxn:4:193999:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,PPTYWCDPLVTYFB-UHFFFAOYSA-N
-rxn:4:194000:224329,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,VAWARDLVEZOESO-UHFFFAOYSA-N
-rxn:4:194424:222604,COc1ccc(-c2ccc3c(c2)CN(S(=O)(=O)C2CC2)C3)cc1S(=O)(=O)NC1CCCC1,ZFGCYWRHZHPALK-UHFFFAOYSA-N
-rxn:4:194456:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)cc2)CC1,ZEISQWKOKKZGHV-UHFFFAOYSA-N
-rxn:4:194456:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)CC1,WXMOJCTXZHJLNT-UHFFFAOYSA-N
-rxn:4:194456:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)CC1,XQNIVANUJIUKSN-UHFFFAOYSA-N
-rxn:4:194572:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CC3CC2CS3(=O)=O)c1,YWDWFBPCCMDWDW-UHFFFAOYSA-N
-rxn:4:194649:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc3c(c2)C=C(C(=O)N2CCOCC2)C=CO3)s1,ASSDZSJGCMIPPD-UHFFFAOYSA-N
-rxn:4:194653:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1,SNAMLHUSRXOXCX-UHFFFAOYSA-N
-rxn:4:194715:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc4c3CCC4N3CCC(C(F)(F)F)CC3)cc2)CC1,KFNRGKQSNPEYFU-UHFFFAOYSA-N
-rxn:4:194731:224650,COC1CCN(C2CCc3ccc(-c4cc(F)ccc4OCC4CCOCC4)cc32)CC1,CTGOOWGSMBYLKX-UHFFFAOYSA-N
-rxn:4:194736:222607,CC1CCCN(S(=O)(=O)c2cc3cc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)ccc3oc2=O)C1,SOBGRJCZBNGHBJ-UHFFFAOYSA-N
-rxn:4:194748:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc([C@@]23C[C@@H]2CN(C2CCOCC2)C3)cc1,KSCJFWGLTUIKSG-OFSOJUDTSA-N
-rxn:4:194762:223847,CCCCCC1CCC(c2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3c4ccccc4CC3C)cc2)CC1,XPMYASCXAGHPLD-UHFFFAOYSA-N
-rxn:4:194799:224734,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4ccc(C(F)(F)F)cc4OCC4CC4)cc3)C(=O)C12,VUWWFBHRTQFVOF-UHFFFAOYSA-N
-rxn:4:194810:222896,COC(=O)C1=C2CCCN2c2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc2S1(=O)=O,YFPSOXWWVMGNRJ-UHFFFAOYSA-N
-rxn:4:194859:223582,CCc1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(-c4cc5ccc(C(=O)OC)cc5n4C(=O)OC(C)(C)C)ccc3c1C2=O,XLHZKJICCMSFDE-UHFFFAOYSA-N
-rxn:4:195615:223489,Cc1c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(F)cc1[N+](=O)[O-],DRFDXQMJKKUUJO-UHFFFAOYSA-N
-rxn:4:196883:223482,O=C1CC(=O)CC(c2cncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)C1,HGWZOZUTZOGVON-UHFFFAOYSA-N
-rxn:4:197908:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(=O)N(C3CCCC3)C4)c(F)c2)CC1,KUGNWCJCXOJUPU-UHFFFAOYSA-N
-rxn:4:197927:222545,CC(C)N1C(=O)C(C)(C)c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc21,ZZZCHRHGWIQYLL-UHFFFAOYSA-N
-rxn:4:197947:224584,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)CN(C3CCCC3)C(=O)CO4)c2)CC1,XQJLAIKEZCPNFU-UHFFFAOYSA-N
-rxn:4:197963:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(c1)CN([C@H]1CC[C@H](C)CC1)C2=O,JRFCVQORPLGJCN-XEVLDEMTSA-N
-rxn:4:197988:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cccc2c1CCCC2N1CCC(C)CC1,UDGLDPFATUUDDC-UHFFFAOYSA-N
-rxn:4:199447:222896,CCOC(=O)Cc1ccc([N+](=O)[O-])c(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1C#N,QUHVQRDCNJNRJG-UHFFFAOYSA-N
-rxn:4:199451:222896,CCOC(=O)Cc1cc(C#N)cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1[N+](=O)[O-],WJHGOWJSKXTIFX-UHFFFAOYSA-N
-rxn:4:199452:222896,CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1,AHWLZWJVWVSNJQ-UHFFFAOYSA-N
-rxn:4:199453:222896,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1[N+](=O)[O-],HAUBAUKBGNYWNG-UHFFFAOYSA-N
-rxn:4:199454:222896,CCOC(=O)Cc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c([N+](=O)[O-])c1C#N,VMRVTHCUJTYEIH-UHFFFAOYSA-N
-rxn:4:199455:222896,CCOC(=O)Cc1cc([N+](=O)[O-])c(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1C#N,HMWPBUNPWPZINU-UHFFFAOYSA-N
-rxn:4:199456:222896,CCOC(=O)Cc1c(C#N)cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-],LIJZPVNZNFTLSG-UHFFFAOYSA-N
-rxn:4:199539:222465,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,GLTSRWAPKAPOPV-UHFFFAOYSA-N
-rxn:4:199539:222993,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cccc(N3CCCCC3O)c2)cc1,MNITVXSZWYZSJY-UHFFFAOYSA-N
-rxn:4:199539:225607,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1,ODRHJTVVWUGUDW-UHFFFAOYSA-N
-rxn:4:199549:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)nc2)cc1,PJPZRYKKAMEXKL-UHFFFAOYSA-N
-rxn:4:199595:226844,CN(C(=O)COC(=O)c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCCCC1,LFPMBFZQJPANMA-UHFFFAOYSA-N
-rxn:4:199639:222896,CN1CCN(CCCCOc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)CC1,ZFODJJVFLHBMSS-UHFFFAOYSA-N
-rxn:4:199645:224371,COC(=O)C1CCN(c2ncc(-c3cccc(OCC4CCCN4C(=O)OC(C)(C)C)n3)cn2)CC1,DPGQREHCDWVWQW-UHFFFAOYSA-N
-rxn:4:199649:225568,COC(=O)C(C)(C)c1ccc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc1,GITNYVSQHPHBMV-UHFFFAOYSA-N
-rxn:4:199660:222896,COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)cc1,RLJWPWMCHOXZDI-UHFFFAOYSA-N
-rxn:4:199662:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)nc1,FVBRCZUWFMUUFM-UHFFFAOYSA-N
-rxn:4:199689:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N(C)CCO[Si](C)(C)C(C)(C)C)nc3)c2)CC1,BUKNTEFPLZWSGG-UHFFFAOYSA-N
-rxn:4:199691:227958,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(C2CCC2)c1,BEAAWLLWAYLMEN-UHFFFAOYSA-N
-rxn:4:199713:225186,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(F)c(CN2CCSCC2)c1,WASONCBVQKVWBF-UHFFFAOYSA-N
-rxn:4:199743:225161,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(F)c(C(=O)N3CCCC3)c2)CC1,LFYNZLKEJDKTFA-UHFFFAOYSA-N
-rxn:4:199766:222886,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,QLAWBPVNYNVTGW-UHFFFAOYSA-N
-rxn:4:199769:222928,COc1cc(Cl)c(-c2cnc(N3CCC(O)CC3)nc2C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QHCFUEDJPRWYLT-UHFFFAOYSA-N
-rxn:4:199780:222623,CCC(C)c1cc(-c2ccc(-c3cnc(SC4CCCC4)n3-c3ccc(OC(F)(F)F)cc3)cc2)cc(C2CCNCC2)n1,VGDNJWMZYVLZNA-UHFFFAOYSA-N
-rxn:4:199790:223841,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,DRYZMBMKHPUEEX-UHFFFAOYSA-N
-rxn:4:199794:223568,Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)c1Sc1ccccc1,YJWZZTAPQQKKQH-UHFFFAOYSA-N
-rxn:4:199846:225926,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,AJTYUVNYXDLODI-UHFFFAOYSA-N
-rxn:4:199847:222896,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c(OC)c2)CC1,RKUUDDBWMYQRMJ-UHFFFAOYSA-N
-rxn:4:199851:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3ccc(C=C4SC(=S)N(CCCN5CCOCC5)C4=O)o3)cc2)s1,SEAQDTCZKUVCAU-UHFFFAOYSA-N
-rxn:4:199860:223713,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccccc1COc1cccc2c1CCCC2,NYXWCGXMLYLXJP-UHFFFAOYSA-N
-rxn:4:199861:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccccc1CCC(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1,KABAQEIJEWCBKZ-UHFFFAOYSA-N
-rxn:4:199866:225329,N#Cc1cc(-c2ccc(-c3ccc(C=C(C(=O)N4CCOCC4)C(=O)N4CCOCC4)o3)cc2)ccc1OCC(F)(F)F,SINPSJFTNYAPBK-UHFFFAOYSA-N
-rxn:4:199867:227462,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc3c(Cl)nccc3c2)c(C2OCCO2)c1,FDDMSEZBHDEYRP-UHFFFAOYSA-N
-rxn:4:199869:222621,CCCOc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,ZHXNTIHHDGOBRE-UHFFFAOYSA-N
-rxn:4:199869:223051,CCCOc1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,VHCJSXLQTPRWCN-UHFFFAOYSA-N
-rxn:4:199869:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,STIFLOWQHHVAFE-UHFFFAOYSA-N
-rxn:4:199876:225156,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1cc(C(=O)N2CCCC2)ccc1F,YQTCSDWUILXNEH-UHFFFAOYSA-N
-rxn:4:199882:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C(C)(C)C)c1,XIMQABMGFOWUQL-CFNLWSCMSA-N
-rxn:4:199893:224842,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21,HEUCGELACUTRMN-UHFFFAOYSA-N
-rxn:4:199925:222896,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)s2)sc2cc(S(C)(=O)=O)ccc21,CBKXCYQZXATUCJ-UHFFFAOYSA-N
-rxn:4:199937:222896,COCCn1c(=NC(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)s2)sc2cc(S(C)(=O)=O)ccc21,LDDNYLRPOKNFCA-UHFFFAOYSA-N
-rxn:4:199954:222896,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)sc2cc(S(C)(=O)=O)ccc21,JLBYICDFMMUFBT-UHFFFAOYSA-N
-rxn:4:199961:225294,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cnc(N4CCN(CC)CC4)nc3)ccc2n1,OVNSLFMRYYTVFX-UHFFFAOYSA-N
-rxn:4:199961:225977,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cc(Cl)cnc3N3CCOCC3)ccc2n1,NMWSCJCILIRSOJ-UHFFFAOYSA-N
-rxn:4:199983:224692,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(-c5cccc([N+](=O)[O-])c5)cc4)cc32)SC1=S,YJCFXAYVXBHMFQ-UHFFFAOYSA-N
-rxn:4:199989:223180,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3ccc(C(=O)NOC)c(F)c3)c(OC)cc12,LDDIVWJWFSWIRO-UHFFFAOYSA-N
-rxn:4:200030:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCCC4)c4ccccc43)cc2)s1,REZBSBRDPZUPJS-UHFFFAOYSA-N
-rxn:4:200043:223279,CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c3ccccc23)CC1,CYZAOQGGIWFAOT-UHFFFAOYSA-N
-rxn:4:200112:222716,CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1-c1ccc(S(=O)(=O)NC2CCCC2)c(F)c1,CYYKUPNUZSMBMG-UHFFFAOYSA-N
-rxn:4:200147:224326,COC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c(C#N)cc1[N+](=O)[O-],OLSOVTBQCFKQKX-UHFFFAOYSA-N
-rxn:4:200203:223539,COC(=O)c1ccn(COc2ccc(Cl)cc2-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,OLTFPCVMRVKYRN-UHFFFAOYSA-N
-rxn:4:200260:224323,Cc1cc(-c2cc(C(F)(F)F)nnc2OCC[Si](C)(C)C)cc(C)c1S(=O)(=O)N1CCCC1,DIKWSRJXZQMTET-UHFFFAOYSA-N
-rxn:4:200324:225384,O=C(COc1ccc([N+](=O)[O-])cc1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)N1CCCCC1,CIVAXGUWTSSUNT-UHFFFAOYSA-N
-rxn:4:200431:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(CSC5=NCCS5)CC4)o3)cc2)CC1,PNGAJCMKYNLLOC-UHFFFAOYSA-N
-rxn:4:200433:224065,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)cc2)CC1,GHOJGFGZNZHVRF-UHFFFAOYSA-N
-rxn:4:200455:224177,CC(C)COc1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(F)cc3)cc2)cc(Cl)c1OC(C)C,WAIQOIOQXOJLGV-UHFFFAOYSA-N
-rxn:4:200459:225168,O=C(CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O)c1ccc(-c2ccc(CN3CCOCC3)c(F)c2)cc1,RIKNQKUFIZVUPW-UHFFFAOYSA-N
-rxn:4:200471:224163,Cc1c(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C)C2)ccc2c1cnn2C1CCCCO1,UEJQZDVXQUYLPY-UHFFFAOYSA-N
-rxn:4:200513:223603,O=C(c1cc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)ccc1Cl)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1,NYDNECWMXIKPJF-UHFFFAOYSA-N
-rxn:4:200534:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N(C(=O)N4CCCCC4)c4ccccc4)o3)c2)CC1,LTKANACRTVUJDJ-UHFFFAOYSA-N
-rxn:4:200559:225383,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)co2)CC1,PMVJQGDZTXOVKB-UHFFFAOYSA-N
-rxn:4:200561:222896,CCN1CCN(Cc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2C(=O)OC)CC1,DHAFLFQFVDRNIY-UHFFFAOYSA-N
-rxn:4:200561:222944,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2C(=O)OC)CC1,NOSYMAWEXRBFRP-UHFFFAOYSA-N
-rxn:4:200573:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccc(Cl)c(C(=O)N2CCC(CSC3=NCCS3)CC2)c1,RVBNCCITMNKQJW-UHFFFAOYSA-N
-rxn:4:200573:225534,CCN(CC)Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)cc1Cl,OHCGDDCRPFKVFK-UHFFFAOYSA-N
-rxn:4:200595:224009,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1S(=O)(=O)N1CCOCC1,CCQXGUJSBQLXIJ-UHFFFAOYSA-N
-rxn:4:200600:223139,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C2CCNCC2)nc1,BLLGFQGLGRTHQZ-UHFFFAOYSA-N
-rxn:4:200602:225877,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,FQFXQQVBGOCNFT-UHFFFAOYSA-N
-rxn:4:200611:223604,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)cc2F)C1,TVFXFNRLILKKTL-UHFFFAOYSA-N
-rxn:4:200643:224280,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)nc2)CC1,SVGIYQOEQCVVGP-UHFFFAOYSA-N
-rxn:4:200654:223810,Cc1cc(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,NQXFWJPRKYAGHW-UHFFFAOYSA-N
-rxn:4:200700:223637,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,NDVOTZWAUQQQCN-UHFFFAOYSA-N
-rxn:4:200700:224161,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)CC1,QQKJDVJBNCGVQS-UHFFFAOYSA-N
-rxn:4:200711:226844,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DWQOYUMQOUEXCM-UHFFFAOYSA-N
-rxn:4:200728:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CC1,OPXOQKLAJJTWOX-UHFFFAOYSA-N
-rxn:4:200731:223279,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(C4CCCN4)nc3)cccc2C(F)(F)F)CC1,RXQAJJQCTVEQMM-UHFFFAOYSA-N
-rxn:4:200758:225342,COc1cc(-c2cc(C(=O)N(C)C)cc([N+](=O)[O-])c2)cc(OC)c1C(=O)N1CCN(C(C)C)CC1,CDYXKDDNMCWQDC-UHFFFAOYSA-N
-rxn:4:200774:222896,COc1cccc(C2CC(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)=NN2S(C)(=O)=O)c1OC,YVDOFGHIALDBRY-UHFFFAOYSA-N
-rxn:4:200774:225803,COc1cccc(C2CC(c3ccc(-c4ccnc(OC5CCOCC5)c4)cc3)=NN2S(C)(=O)=O)c1OC,PRIGIINFVIPRSQ-UHFFFAOYSA-N
-rxn:4:200802:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(OCC)c(S(=O)(=O)N4CCN(c5ccccc5F)CC4)c3)cc2)C1,JNXANEJRPBQCRB-UHFFFAOYSA-N
-rxn:4:200822:223240,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc(C4CCNC4)nc3)c2)CC1,QORXDHRJJWUWHE-UHFFFAOYSA-N
-rxn:4:200835:226278,Cc1nc(OCC(C)C)ccc1-c1ccc(OCc2ccc(Cl)cc2)c(C=C2SC(N3CCOCC3)=NC2=O)c1,GBYLHLPSZVOZCU-UHFFFAOYSA-N
-rxn:4:200840:223084,COC(=O)C1CCCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCC2)C1,HHUJYXDPBDBDTM-UHFFFAOYSA-N
-rxn:4:200854:228200,COC(=O)C1CCCN(Cc2ccc(-c3ccnn3C3CCCC3)cc2N2CCOCC2)C1,XSKNTDDBCMDUIC-UHFFFAOYSA-N
-rxn:4:200854:229064,COC(=O)C1CCCN(Cc2ccc(-c3ccnn3C3CC3)cc2N2CCOCC2)C1,CRPJIRRJQGSDAY-UHFFFAOYSA-N
-rxn:4:200858:222896,CC(C)N1CCN(Cc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2Oc2ccccc2)CC1,VUEKIWGDDNFAPI-UHFFFAOYSA-N
-rxn:4:200875:224784,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1cc(OC(F)(F)F)cc2cccnc12,HDRNUJGLDGSCGW-UHFFFAOYSA-N
-rxn:4:200877:222896,COc1cc(OC)cc(C2=NC3(CCCC3)N(C(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)C2=S)c1,ZDMQLBOPIYSSMK-UHFFFAOYSA-N
-rxn:4:200880:222686,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(Nc5ccc([N+](=O)[O-])cc5)c4)cc3)CC2)CC1,FWCSLGUXMUOVBA-UHFFFAOYSA-N
-rxn:4:200887:224421,COc1ccccc1C1CC(c2ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,KMZHJSKLROWOMT-UHFFFAOYSA-N
-rxn:4:200892:225573,CCOc1ccc(-c2cc(C(=O)OC)cc(C3CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,IYWHHBAVAOXPHK-UHFFFAOYSA-N
-rxn:4:200901:226522,CCOC(=O)c1cc(-c2ccc(C(=O)N3C(=S)C(c4cc(OC)cc(OC)c4)=NC34CCCCC4)cc2)ccc1F,VTMCVDJVQXBMGU-UHFFFAOYSA-N
-rxn:4:200902:227275,CCCOc1c(F)cccc1-c1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(OC)cc2)cc1,UBDIJVQRHSZQNE-UHFFFAOYSA-N
-rxn:4:200981:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc2c(c1)sc(=NC(=O)C1=COCCO1)n2CCOC,NADAJSZOHVSILM-UHFFFAOYSA-N
-rxn:4:200981:225831,COCCn1c(=NC(=O)C2=COCCO2)sc2cc(-c3cnc(N4CCOCC4)c(C)c3)ccc21,NMTMPMCKZGPCGU-UHFFFAOYSA-N
-rxn:4:200998:223504,CCOc1ccc2ccccc2c1C=Nc1ccc([N+](=O)[O-])cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,DJXNCSDXKPVJCX-UHFFFAOYSA-N
-rxn:4:201072:223184,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCNCC5)nc4)ccc3OC)N2C1=O,VKHSVPDOWHMHOI-UHFFFAOYSA-N
-rxn:4:201072:226572,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(OC5CCCC5)nc4)ccc3OC)N2C1=O,OJVYYMBXZMPKPO-UHFFFAOYSA-N
-rxn:4:201097:223521,CC(c1cccc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OADJHHNJCMSTDY-UHFFFAOYSA-N
-rxn:4:201124:226140,COc1ccc(C(C)(C)C)cc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,FKQKDLJUQIJVLF-UHFFFAOYSA-N
-rxn:4:201154:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5s4)c4ccccc43)cc2)s1,FJXPCYOPDVKWSR-UHFFFAOYSA-N
-rxn:4:201245:223828,CCN1CCN(c2cc(-c3cc([N+](=O)[O-])cc(C#N)c3C(=O)OC)cc(C(F)(F)F)c2)CC1,MJGXCVDOOYEFTN-UHFFFAOYSA-N
-rxn:4:201385:223712,COC(=O)CCn1nc(C)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C,YNFWTHNLVHBDGY-UHFFFAOYSA-N
-rxn:4:201570:224401,COC1CN(Cc2cc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)cc([N+](=O)[O-])c2)C1,IBZOCZACKULPIR-UHFFFAOYSA-N
-rxn:4:201734:223835,Cc1cc(F)c(-c2cnccc2OC2CCN(CC3CC3)C2)cc1S(=O)(=O)N1CCC(C)CC1,LAIQJFQMHIYYGX-UHFFFAOYSA-N
-rxn:4:201758:225191,O=C(Cc1cncc(-c2cnc(OC3CCCCC3)cc2F)c1)N1CCCC(C(F)(F)F)C1,FOWAQYXPIUDJLH-UHFFFAOYSA-N
-rxn:4:201776:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)C2)s1,KKOJCJJGBCERIU-UHFFFAOYSA-N
-rxn:4:201789:223697,CCOC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1N1CCCCC1,JAARKINTHLJLBA-UHFFFAOYSA-N
-rxn:4:201800:225554,COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(OC(C)(C)C)c(C#N)c2)CC1,ORNYBLDAQVCOND-UHFFFAOYSA-N
-rxn:4:201802:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCCC(C(=O)C(C)C#N)C3=O)c2)cc1,XIXXIRQBFVHRRC-UHFFFAOYSA-N
-rxn:4:201812:224404,CCOC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1N1CCC(F)(F)CC1,FFPWYCMLSMOMCE-UHFFFAOYSA-N
-rxn:4:201815:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(OC(F)(F)F)c(C(=O)N2CCN(C)CC2)c1,IQMIJTHLHWSWPW-UHFFFAOYSA-N
-rxn:4:201837:225877,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(Cl)cc3N3CCOCC3)s2)C1,VHZKYVWOUHJWFC-UHFFFAOYSA-N
-rxn:4:201906:227468,CCN(CC)c1ncc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)cn1,NQLAOHABRUWUMS-UHFFFAOYSA-N
-rxn:4:201926:223074,Cc1nc(C2CCCN2C(=O)OC(C)(C)C)sc1-c1cccc(NS(=O)(=O)C2CC2)c1,CTUXOMGXCDLOPF-UHFFFAOYSA-N
-rxn:4:201930:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)s1,GFRTWDBAWPFFGH-UHFFFAOYSA-N
-rxn:4:201931:224415,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)s2)C1,FCJOWRZMHYLDPP-UHFFFAOYSA-N
-rxn:4:201940:224587,CCN1CCN(C(=O)c2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc2OC)CC1,NQQTZXWWOCOBRL-UHFFFAOYSA-N
-rxn:4:201947:224008,CC(C)(C)OC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cnc1N1CCCC1,KSAYFMSKMZVDJX-UHFFFAOYSA-N
-rxn:4:201967:222857,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2OC)cc(C2CCNCC2)c1,IAQYDOUNANHYAR-UHFFFAOYSA-N
-rxn:4:201968:222887,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1cccc(C(=O)N2CCNCC2)c1,AJACDSFJVSIZFE-UHFFFAOYSA-N
-rxn:4:201975:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)s1,GOXKERMYPWMTHZ-UHFFFAOYSA-N
-rxn:4:201975:224169,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cccc(OCCCN4CCOCC4)c3)cc2)CC1,OATYWGSBQOMBNS-UHFFFAOYSA-N
-rxn:4:201979:225885,CCCn1nnc2cc(-c3ccc(OC)cc3C(=O)N3CCC(N4C(=O)COC4=O)C3)c(F)cc21,VQHXPUHUVYOATQ-UHFFFAOYSA-N
-rxn:4:201979:227468,CCN(CC)c1ncc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cn1,PUQFZUFLOJCQCR-UHFFFAOYSA-N
-rxn:4:202004:222958,CCOc1ccc(-c2ccc(C)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MISWSAFLSKRAFG-UHFFFAOYSA-N
-rxn:4:202004:223054,CCOc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(=O)(=O)N1CCN(C)CC1,WLIUPRTZCIVISA-UHFFFAOYSA-N
-rxn:4:202005:225877,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cl)cc3N3CCOCC3)c2)CC1,NUIUCFFIVNNNTC-UHFFFAOYSA-N
-rxn:4:202006:222997,CCOc1cc(-c2ccc(Cl)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCN(C)CC1,ARAGGRSTMMAWLE-UHFFFAOYSA-N
-rxn:4:202007:223009,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(Cl)cc(C2CCNCC2)c1,HOLSIGSSKGOYNK-UHFFFAOYSA-N
-rxn:4:202008:222956,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C)cc1C1CCCNC1,OMDXWEBTRDVHIP-UHFFFAOYSA-N
-rxn:4:202008:223969,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,AEFADMCBRMZFSF-UHFFFAOYSA-N
-rxn:4:202008:224244,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cl)c(C(=O)N2CCC(C)CC2)c1,YDHIMJBODIKWAI-UHFFFAOYSA-N
-rxn:4:202020:222897,CCCCNS(=O)(=O)c1cccc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)c1,LNXJLVLHYUTBLN-UHFFFAOYSA-N
-rxn:4:202021:225898,CC(C)(C)OC(=O)N1CCOCC1c1cncc(-c2cnn(CCN3CCOCC3)c2)c1,NDIYMJNQHORGHL-UHFFFAOYSA-N
-rxn:4:202068:223039,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1ccc(F)c(C(=O)NC(C)C)c1,NYUMIFVWMUIHQE-UHFFFAOYSA-N
-rxn:4:202084:224736,Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(C(F)(F)F)cc2OCC(C)C)C1,DIQQZDNEGFTDAS-UHFFFAOYSA-N
-rxn:4:202101:226716,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccn(C(=O)OC(C)(C)C)n2)cs1,RDCLNTCDBZPQSD-UHFFFAOYSA-N
-rxn:4:202109:223504,Cc1cc(OCC(=O)N2CCN(C)CC2)cc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,WWFDSVJMZJYWCS-UHFFFAOYSA-N
-rxn:4:202152:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CC(c3ccco3)=NN2C(=O)C2CCCO2)cc1,ZMHVWYWLNHVWEY-UHFFFAOYSA-N
-rxn:4:202171:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3=NN(C(=O)c4ccco4)C(C(C)(C)C)C3)cc2)cc1F,WRJPAWBVTRQLMV-UHFFFAOYSA-N
-rxn:4:202175:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc(C2CCCNC2)n1,NEANEBXSDKGRGH-UHFFFAOYSA-N
-rxn:4:202175:226313,CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)c1C,AXEYXMQKQGESQW-UHFFFAOYSA-N
-rxn:4:202182:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1,XNVFYEKCXVBOMN-UHFFFAOYSA-N
-rxn:4:202225:223093,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cncc(NS(=O)(=O)C(C)C)c2)n1,DMDCOVKXAQCBTL-UHFFFAOYSA-N
-rxn:4:202227:225346,COc1ccc(-c2cc(C)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)N(C)C,KPBACFMLTRXOAV-UHFFFAOYSA-N
-rxn:4:202231:224272,Cc1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,OPNIZJUQNHCTNE-UHFFFAOYSA-N
-rxn:4:202239:223831,COc1ccc(-c2cccc(C(=O)c3ccc(CN4CCN(C)CC4)cc3)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZBAHAKBWHJWHLQ-UHFFFAOYSA-N
-rxn:4:202262:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)C3)nc2)cc1,VZGFDEOBRMQWGL-UHFFFAOYSA-N
-rxn:4:202270:222435,O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cccc(CN3CCCC(C(=O)N4CCOCC4)C3)c2)c1,HIUYJKCHJZLBLF-UHFFFAOYSA-N
-rxn:4:202289:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,HSJTVSIVPNEFEY-UHFFFAOYSA-N
-rxn:4:202291:226832,FC(F)(F)COc1ncccc1-c1ccc(CN2CCCC(C(F)(F)F)C2)c(N2CCOCC2)c1,MIPXGOWFRNDKAM-UHFFFAOYSA-N
-rxn:4:202293:224847,CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)C(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)C1,QSUPTAARIHRDJJ-UHFFFAOYSA-N
-rxn:4:202310:223182,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,FFQJPDAUSGQEAT-UHFFFAOYSA-N
-rxn:4:202315:225828,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCCC4)nc3)CC2)cc(=O)n1C,SHJCFBSAYHFCEA-UHFFFAOYSA-N
-rxn:4:202315:225859,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCC4)c(Cl)c3)CC2)cc(=O)n1C,VMSGVYSFJGGFOO-UHFFFAOYSA-N
-rxn:4:202322:226236,CCCCOc1ncc(C)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCCC2)c1,IJKVMLNRCIFKIA-UHFFFAOYSA-N
-rxn:4:202324:225195,Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1ccc(F)c(OC2CCCCO2)c1,LPUIPNYVTWMSRQ-UHFFFAOYSA-N
-rxn:4:202328:224926,CCOc1cc(C)c2cc(-c3ccccc3S(=O)(=O)N3CCC(N4CCC(OC)CC4)CC3)ccc2n1,SGCUOJTZXVYOLO-UHFFFAOYSA-N
-rxn:4:202339:222651,CC1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)oc2-c2ccc(Cl)cc2)C1,OSWGJSAEMTZECA-UHFFFAOYSA-N
-rxn:4:202342:225828,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4cnc(N5CCCCCC5)nc4)c3)CC2)c(C)c1,BIHQOCIDZBNPHD-UHFFFAOYSA-N
-rxn:4:202342:225859,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4cnc(N5CCCCC5)c(Cl)c4)c3)CC2)c(C)c1,NQOTVDSSCMSXCS-UHFFFAOYSA-N
-rxn:4:202351:226557,CCOc1c(OC)ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1F,POCHNOJBYWWKKP-UHFFFAOYSA-N
-rxn:4:202424:223534,CCOC(=O)c1c(C(F)F)nc2c(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc(C)cn12,NCESFXVLWHEPTR-UHFFFAOYSA-N
-rxn:4:202437:222426,COCCn1c(=NC(C)=O)sc2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)ccc21,WTUPSTKJQQBBGJ-UHFFFAOYSA-N
-rxn:4:202561:223569,COC(=O)CN1C(C)=Nc2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2C1c1ccccc1,ITGWYFILCZFUCC-UHFFFAOYSA-N
-rxn:4:202564:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)cc1,XQRZNQSQMNPUDY-UHFFFAOYSA-N
-rxn:4:202593:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3c2)cc1,VNBDVMCTWLFGIZ-UHFFFAOYSA-N
-rxn:4:202648:225167,O=C(c1cc(F)cc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1)N1CCCC1,QWBOBZCPGPAAEH-UHFFFAOYSA-N
-rxn:4:202653:223080,CC(C)NS(=O)(=O)c1ccc(-c2cccc3cc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)cc1,JVYFFYMXOZBDQZ-UHFFFAOYSA-N
-rxn:4:202657:225889,CCOC(=O)c1cnc2c(-c3ccnn3COCC[Si](C)(C)C)cccc2c1N1CCC(C)CC1,FEKLBJGFKVHHBC-UHFFFAOYSA-N
-rxn:4:202658:222782,Cc1cc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)cnc1NC(=O)OC(C)(C)C,XAZBXFHNAAGPTH-UHFFFAOYSA-N
-rxn:4:202675:224199,CC(=O)N1CCN(Cc2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cc2)CC1,AFPHBQOFKQNJOA-UHFFFAOYSA-N
-rxn:4:202695:223038,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(Cl)c(C(=O)NC(C)C)c3)ccc21,KNXHVEISMDNFBH-UHFFFAOYSA-N
-rxn:4:202700:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(CC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1,WLCPZFIZCSRCHP-UHFFFAOYSA-N
-rxn:4:202726:223121,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(C(=O)NC5CC5)cc4)ccc32)CC1,WPIRQTKNXVRIRL-UHFFFAOYSA-N
-rxn:4:202751:222673,COc1ccc(C2C3C(=O)N(c4ccc(-c5cc(C(=O)NC6CCCCC6)ccc5Cl)cc4)C(=O)C3ON2c2ccccc2)cc1,VJIPBJFOJDWCIH-UHFFFAOYSA-N
-rxn:4:202804:224359,CCN(CC)C(=O)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc([N+](=O)[O-])c1,FJCDEDXENKEPCS-UHFFFAOYSA-N
-rxn:4:202811:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2F)CC1,KUIAWJBLIHROJF-UHFFFAOYSA-N
-rxn:4:203245:224817,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCOCC2)n1,IZVLBDMCDZEQDN-UHFFFAOYSA-N
-rxn:4:203545:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)s1,MUJFGPYWRIJJLT-UHFFFAOYSA-N
-rxn:4:203639:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)NN2CCSCC2)cc1,FWUJUZIUDUXAER-UHFFFAOYSA-N
-rxn:4:203686:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cncc(CC(=O)N3CCCC(F)(F)C3)c2)s1,VBNMFEPSCIHEHI-UHFFFAOYSA-N
-rxn:4:203702:224745,CC(C)(C)OC(=O)c1cc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)c(F)cc1Cl,TVJUKPJYLIYVOW-UHFFFAOYSA-N
-rxn:4:203708:222745,CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c1,BXYWNYQIYLXGPH-UHFFFAOYSA-N
-rxn:4:203708:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1,VIERONUIAMBGEP-UHFFFAOYSA-N
-rxn:4:203766:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(C=C3N=C(c4ccc([N+](=O)[O-])cc4)OC3=O)cc2)c1,VSSOGPCTYXMZNX-UHFFFAOYSA-N
-rxn:4:203796:224267,O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)c1,KOPVZNAIAQJADC-UHFFFAOYSA-N
-rxn:4:203821:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(F)cc2CC(=O)N2CCN(C)CC2)c1,VMSJNLSEYZSTAI-UHFFFAOYSA-N
-rxn:4:203827:222896,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)CC1,RXRIAEMVVQBEOR-UHFFFAOYSA-N
-rxn:4:203878:223916,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)CC1,LGVNDNCCSWMQBH-UHFFFAOYSA-N
-rxn:4:203881:222694,CS(=O)(=O)N1CCC(Cc2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)n2)CC1,PXMYDDJFXRPZSE-UHFFFAOYSA-N
-rxn:4:203894:222804,CN1CCN(S(=O)(=O)Cc2cccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)c2)CC1,JTGMSPCZCYDISZ-UHFFFAOYSA-N
-rxn:4:203903:224991,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2F)CC1,RYAMOGAGRSPAQS-UHFFFAOYSA-N
-rxn:4:203909:225827,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccnc(N3CCN(C)CC3)c2)CC1,TUOFSLVFZYEROE-UHFFFAOYSA-N
-rxn:4:203938:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)s1,CQVREZYUTWKDTG-UHFFFAOYSA-N
-rxn:4:203940:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,LRECAWMFCIEJEZ-UHFFFAOYSA-N
-rxn:4:204051:222741,CC1(C)N=C(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)C(=S)N1C(=O)c1ccc(F)cc1,ZKOSWUMHSJFSCO-UHFFFAOYSA-N
-rxn:4:204051:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3=NC(C)(C)N(C(=O)c4ccc(F)cc4)C3=S)cc2)s1,RSRKMRWEFJGHIC-UHFFFAOYSA-N
-rxn:4:204104:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cccc(N3CCN(C(=O)C4CCCC4)CC3)c2)c1,FWNYZOCKLYEFBG-UHFFFAOYSA-N
-rxn:4:204111:222887,O=C(c1cccc(-c2ccc(-c3ccc(C=C4SC(=S)N(N5CCOCC5)C4=O)o3)cc2)c1)N1CCNCC1,WTOKPTHGWDHIFL-UHFFFAOYSA-N
-rxn:4:204115:223191,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1F,FUSXRJLXUSTBLE-UHFFFAOYSA-N
-rxn:4:204125:222896,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)cc1Cl,JMXLTFWVXOQEOY-UHFFFAOYSA-N
-rxn:4:204146:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(CN3CCCCC3)c(N3CCCCC3)c2)c(F)c1,JGBHZJXVMBMLGK-UHFFFAOYSA-N
-rxn:4:204153:224777,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)c(C)c3)CC2)cc1,MEEPRMVPUNRLPD-UHFFFAOYSA-N
-rxn:4:204158:222896,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3Cl)CC2)cc1,KQQMDJWSTVZBIM-UHFFFAOYSA-N
-rxn:4:204158:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCN(C)CC5)nc4)cc3Cl)CC2)cc1,MMFGJTXOFHULJD-UHFFFAOYSA-N
-rxn:4:204165:224757,O=C(c1cc(Cl)cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)c1)N1CCOCC1,USIWKTNUSRANOL-UHFFFAOYSA-N
-rxn:4:204169:223153,CCNC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)ccc1Cl,DLXZQNDKVKERBF-UHFFFAOYSA-N
-rxn:4:204174:225193,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C5COCCO5)c(C#N)c4)cc3C)CC2)cc1Cl,DBPZFTCCSQLNPR-UHFFFAOYSA-N
-rxn:4:204174:225633,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCCCCC5)nc4)cc3C)CC2)cc1Cl,KYJMFLJSHDPFOM-UHFFFAOYSA-N
-rxn:4:204174:225828,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCCC5)nc4)cc3C)CC2)cc1Cl,MFCGXJZROSZOSJ-UHFFFAOYSA-N
-rxn:4:204174:225833,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCCCC5)c4F)cc3C)CC2)cc1Cl,KDYSSBANCPCLBX-UHFFFAOYSA-N
-rxn:4:204174:225849,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCC5)cc4F)cc3C)CC2)cc1Cl,LRKHVMQGGMIUGC-UHFFFAOYSA-N
-rxn:4:204180:222628,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)c(C)cc3C)CC2)c(C)c1,CERRMHZADUQDHT-UHFFFAOYSA-N
-rxn:4:204318:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cnc(OC(F)(F)F)c4c(C(C)=O)c[nH]c34)cc2)CC1,UPFAIWBEMYXMPI-UHFFFAOYSA-N
-rxn:4:204354:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(C45CC(C(=O)OC)(C4)C5)c3)cc2)CC1,RTGLWBBQDKVCGI-VNJSAXHHSA-N
-rxn:4:204507:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,VQTMAEXWSWVTCR-UHFFFAOYSA-N
-rxn:4:204595:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1,FWWZZCMBGXJVDF-UHFFFAOYSA-N
-rxn:4:204595:222945,CC(C)NS(=O)(=O)c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1F,GJJSCEGWWZCMJE-UHFFFAOYSA-N
-rxn:4:204607:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ccn(CC(=O)N5CCC(=O)CC5)c4c3)c2)CC1,XCUKMTHYYGVFRI-UHFFFAOYSA-N
-rxn:4:204643:224679,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)c1,ICYPMPKQVFESFH-UHFFFAOYSA-N
-rxn:4:204648:222604,COc1ccc(-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)cc1S(=O)(=O)NC1CCCC1,ZYPSIJFMZYMZFM-UHFFFAOYSA-N
-rxn:4:204648:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,YLXPSXDMLRPDIP-UHFFFAOYSA-N
-rxn:4:204722:224499,CC(C)Cn1cc(-c2cccc(-c3cccc(N4C(=NC(=O)C(C)C)SC5CS(=O)(=O)CC54)c3)c2)cn1,YVVDTPLSZIEDLS-UHFFFAOYSA-N
-rxn:4:204738:228820,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3c(F)ccc(C)c3Cl)ccc21,CYFURCFDRMVHLL-UHFFFAOYSA-N
-rxn:4:204756:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,GJSJLKMTLFZVIK-UHFFFAOYSA-N
-rxn:4:204780:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,MBKNWGWOWFJSBZ-UHFFFAOYSA-N
-rxn:4:204796:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)C1,RTNUILXNNVQLAY-UHFFFAOYSA-N
-rxn:4:204797:225199,O=C(C1=CN(c2cccc(-c3cc(F)c(OC4CCCC4)c(F)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,XUJVGRYQTIRWNC-UHFFFAOYSA-N
-rxn:4:204804:227285,N#Cc1cnc(C2CC2)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c1,GXKLIUAIHFMBEJ-UHFFFAOYSA-N
-rxn:4:204806:223569,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)c1,GANOLLKEIYLQCS-UHFFFAOYSA-N
-rxn:4:204816:225994,CCSc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)C(=C1SC(=S)N(C(C)c3ccccc3)C1=O)C(=O)N2CC,QRLSWJBWAZHNJC-UHFFFAOYSA-N
-rxn:4:204867:222821,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,MWJKATQCASSLHM-UHFFFAOYSA-N
-rxn:4:204944:222639,CC(C)c1ccc(C2Oc3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3C3CC(c4ccco4)=NN32)cc1,GQVLMTUVOJHISD-MDPXJFMTSA-N
-rxn:4:204947:222845,CC(c1ccc(-c2ccccc2C(=O)N2C(=O)N(c3ccc(Cl)cc3)C3(C)CC2c2ccccc2O3)cc1)N1CCNCC1,CVLCYRZJIGTXJU-UHFFFAOYSA-N
-rxn:4:204955:222409,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(S(N)(=O)=O)c4)ccc2OC3C2CCCCC2)cc1,URAUHAHLELMDNZ-UHFFFAOYSA-N
-rxn:4:205222:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnn(CS(C)(=O)=O)c2)CC1,RSCHBXBQYJXASG-UHFFFAOYSA-N
-rxn:4:205496:223542,COc1nc(C)nc(OC)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,JPKDYYORMLGLEQ-UHFFFAOYSA-N
-rxn:4:205885:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ncc(C(=O)N2CCOCC2)s1,SGOGIBSJLPOEGK-UHFFFAOYSA-N
-rxn:4:206158:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3c[nH]c(C(=O)N4CCSCC4)c3)cn2)CC1,LOJBSBSBCNZYFO-UHFFFAOYSA-N
-rxn:4:206634:223902,CC1CCN(CCOc2ccc(-c3ccc(N4CCC(F)(F)CC4)c(C#N)c3)cc2F)CC1,JRUGZODWBFQTQV-UHFFFAOYSA-N
-rxn:4:206634:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(F)(F)CC4)c(C#N)c3)c2)C1,VTAVNJLOIWZXGY-UHFFFAOYSA-N
-rxn:4:206634:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(N3CCC(F)(F)CC3)c(C#N)c2)c1,ZKBUITRZUFZPSL-UHFFFAOYSA-N
-rxn:4:206643:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(C#N)ccc3N3CCCC(F)(F)C3)c2)C1,DJXFYAYPCGATTJ-UHFFFAOYSA-N
-rxn:4:206644:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(C#N)ccc2N2CCC(F)(F)CC2)c1,LCAZEIYWDLZBRT-UHFFFAOYSA-N
-rxn:4:206647:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)c2)C1,UNQQNBNTTTVSMZ-UHFFFAOYSA-N
-rxn:4:206693:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCC(F)(F)CC3)cn2)CC1,CQAVINMTDQDDTA-UHFFFAOYSA-N
-rxn:4:206698:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCC(F)(F)CC4)n3)cc2)CC1,IMNVZZPBZZWJRE-UHFFFAOYSA-N
-rxn:4:206699:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(CN3CCC(F)(F)CC3)ccn2)CC1,TWZGZGMUGMEZNO-UHFFFAOYSA-N
-rxn:4:206717:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc2)CC1,YLWMVGVENWGAGO-UHFFFAOYSA-N
-rxn:4:206729:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,FSUBKTLWUDYICV-UHFFFAOYSA-N
-rxn:4:206729:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(N3CCC(C(F)(F)F)CC3)n2)CC1,LUOKWMKUZUBXSR-UHFFFAOYSA-N
-rxn:4:206730:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(N3CCCC(C(F)(F)F)C3)n2)CC1,WDFIQVUJQIESHE-UHFFFAOYSA-N
-rxn:4:206736:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,WHDZTKYEHPGQKG-UHFFFAOYSA-N
-rxn:4:206736:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,RXHMYDPHGZVSRK-UHFFFAOYSA-N
-rxn:4:206736:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)CC1,VARIYPQSIBLIFN-UHFFFAOYSA-N
-rxn:4:206737:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnccc2N2CCC(C(F)(F)F)CC2)CC1,YYIOJPUOBJOSDP-UHFFFAOYSA-N
-rxn:4:206739:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCCC(C(F)(F)F)C3)cc2)CC1,SYZJDKXDEOXNDE-UHFFFAOYSA-N
-rxn:4:206759:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)cc2)CC1,LMRIUGDAPIMIDC-UHFFFAOYSA-N
-rxn:4:206759:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)CC1,DWLMDMQUYAOIFS-UHFFFAOYSA-N
-rxn:4:206761:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)cc2)CC1,YRFIDGDTEZIDDD-UHFFFAOYSA-N
-rxn:4:206761:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)CC1,NTWYWAFSBZMONJ-UHFFFAOYSA-N
-rxn:4:206850:222610,Cc1cc(C(=O)N2CCCCC2)ncc1-c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,WUYAPYAYAFALIA-UHFFFAOYSA-N
-rxn:4:206948:222720,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)n2)CC1,ONAJOUHNZDFZNR-UHFFFAOYSA-N
-rxn:4:206948:222724,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)n2)CC1,GWBRKCNOIHSWCQ-UHFFFAOYSA-N
-rxn:4:206955:222724,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,GUHUJCMEKCBMEX-UHFFFAOYSA-N
-rxn:4:206956:222724,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,FUKXIHSMEZGIOU-UHFFFAOYSA-N
-rxn:4:206957:222720,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)c2)CC1,DXGPNFBKVJMCJU-UHFFFAOYSA-N
-rxn:4:206958:222720,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,XCUKPMVZWKJVRT-UHFFFAOYSA-N
-rxn:4:206958:222724,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,NNGUJHOTCNURQT-UHFFFAOYSA-N
-rxn:4:206959:222724,CS(=O)(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,RZCAPZGPIKAFCG-UHFFFAOYSA-N
-rxn:4:206960:222724,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,ZQYFHMCIWOTICD-UHFFFAOYSA-N
-rxn:4:206963:222724,CS(=O)(=O)N1CCN(c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,XCFQKSKDFFCTSH-UHFFFAOYSA-N
-rxn:4:206964:222720,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,RYQWSSBCXYXCTM-UHFFFAOYSA-N
-rxn:4:206981:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,FYWAVOPFUMHKSX-UHFFFAOYSA-N
-rxn:4:206981:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,HQPDUGFSTWKIOZ-UHFFFAOYSA-N
-rxn:4:207060:222705,CN1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)cc2)CC1,JGQRGMZIWWQVEE-UHFFFAOYSA-N
-rxn:4:207069:223508,CN1CCN(c2cc(C3CC3)ccc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)CC1,WWHFQEHJCKFKLU-UHFFFAOYSA-N
-rxn:4:207070:223508,CN1CCN(c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc(C3CC3)c2)CC1,RQDRIHFQXIOQIP-UHFFFAOYSA-N
-rxn:4:207073:223508,CN1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c(C3CC3)c2)CC1,YNBDGDNPEYGKOA-UHFFFAOYSA-N
-rxn:4:207074:223508,CN1CCN(c2ccc(C3CC3)cc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)CC1,KWVKFRLFDOHELF-UHFFFAOYSA-N
-rxn:4:207284:223493,CCOc1c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc2[nH]ncc12,GJLIGCFGSFMSOK-UHFFFAOYSA-N
-rxn:4:207447:223810,Cc1cc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JPJDUCZWNLXJSX-UHFFFAOYSA-N
-rxn:4:207669:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)c1,NMLNEILOESXHPO-UHFFFAOYSA-N
-rxn:4:207689:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(c3)sc(=NC(=O)C3=COCCO3)n4C)c2)CC1,HYQVFYLADYFXNK-UHFFFAOYSA-N
-rxn:4:207779:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1OC(F)(F)F,UIHDNGHWBFCTGF-UHFFFAOYSA-N
-rxn:4:207779:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,AQMOYQJHKLDHON-UHFFFAOYSA-N
-rxn:4:207796:224670,CN1CCN(Cc2ccc(F)c(-c3ccc4oc(=O)c(S(=O)(=O)N5CCN(C)CC5)cc4c3)c2)CC1,SUZLBSZBAMCSNE-UHFFFAOYSA-N
-rxn:4:207831:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3nc4sccn4c3C=C3C(=O)OC(C)(C)OC3=O)cc2)s1,DYEBATVESVEJFO-UHFFFAOYSA-N
-rxn:4:207832:222896,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)C2=O)c2ccccc21,VOSVOPPXOAVKDI-UHFFFAOYSA-N
-rxn:4:207849:223971,Cc1ccccc1N1C(=O)N(c2cccc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)c2)C2CS(=O)(=O)CC21,FIJAZYYPCMFAHX-UHFFFAOYSA-N
-rxn:4:207854:225312,CN1CCCN(c2ncc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,KCJDNWQPBJDEFW-UHFFFAOYSA-N
-rxn:4:207890:225008,COC1CCN(c2ccc(-c3cnn(CC45CC6CC(CC(C6)C4)C5)c3C)cc2)CC1,KJLSORNSRBVDMK-UHFFFAOYSA-N
-rxn:4:208167:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(F)c([N+](=O)[O-])cn3)cc12,BVDVWZVNTWBWQG-UHFFFAOYSA-N
-rxn:4:208400:223507,Cc1cc([N+](=O)[O-])cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1,UAFNVEKDOUZKNI-UHFFFAOYSA-N
-rxn:4:209465:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nccn3C3CCOCC3)cc(C(F)(F)F)c2)CC1,BJTZANCZXBKLDS-UHFFFAOYSA-N
-rxn:4:209494:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1csc(N2CCS(=O)(=O)CC2)n1,CHGDXYINYQXVNZ-UHFFFAOYSA-N
-rxn:4:209771:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccncc3N3CCCC(F)(F)C3)c2)CC1,ZSSQGQDNBUOMIY-UHFFFAOYSA-N
-rxn:4:209772:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccncc3N3CCC(F)(F)CC3)c2)CC1,KOCVYEKALCJJKV-UHFFFAOYSA-N
-rxn:4:209773:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ncccc3N3CCCC(F)(F)C3)c2)CC1,ZQWVLFUJNHMMBN-UHFFFAOYSA-N
-rxn:4:209786:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccnc3N3CCCC(F)(F)C3)c2)CC1,JQDNJEGHKXNSSI-UHFFFAOYSA-N
-rxn:4:209787:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccnc3N3CCC(F)(F)CC3)c2)CC1,TWCGGFJTDPFRFT-UHFFFAOYSA-N
-rxn:4:209792:223838,Cc1cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cnc1N1CCC(F)(F)C1,FTTKZOYKJSXENC-UHFFFAOYSA-N
-rxn:4:210681:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,BBIYELKLTPXHBR-UHFFFAOYSA-N
-rxn:4:211034:223960,CCN1CCN(C(=O)c2cc(-c3cnc(N4CC5C(C4)C5(C)C)cc3C)ccc2F)CC1,JTHYZSVCPDXVQZ-UHFFFAOYSA-N
-rxn:4:211061:222875,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cc(C(=O)NC(C)(C)C)ccc3F)ccc21,QYXRKHKIEVRWLE-UHFFFAOYSA-N
-rxn:4:212283:223602,CN1C(=O)COc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cnc21,LMTKLADFGSDHCZ-UHFFFAOYSA-N
-rxn:4:212407:223606,CC1=Nc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2C1(C)C,DSEOAINMZUHATJ-UHFFFAOYSA-N
-rxn:4:212524:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)o1,KDDGAGZWLMPPSU-UHFFFAOYSA-N
-rxn:4:212581:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)s1,KSHUVMDJAPEIMX-UHFFFAOYSA-N
-rxn:4:212581:225918,CCOC(=O)c1cc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(F)cc1Cl,MHEQYBOTBZUSOJ-UHFFFAOYSA-N
-rxn:4:212604:224797,CCCCOc1c(F)c(F)c(-c2ccc(CSC3=NCCN3C(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(F)c1F,KQOKUEZRRVJAKY-UHFFFAOYSA-N
-rxn:4:212620:222839,O=C(Cc1ccc(F)cc1-c1ccc(NCC2CCCCC2)nc1)N1CCC(COc2ncccn2)CC1,OFNZBSDANLVVQM-UHFFFAOYSA-N
-rxn:4:212620:224063,CC1CCCN(c2cc(-c3cc(F)ccc3CC(=O)N3CCC(COc4ncccn4)CC3)cc(C3CC3)c2)C1,QWRLCACLGPDNER-UHFFFAOYSA-N
-rxn:4:212622:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)c(F)cn2)CC1,NRGBFGIWQKOGOR-UHFFFAOYSA-N
-rxn:4:212631:226118,CCC(C)Oc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc1C,KDXMGNNKKNQQAD-UHFFFAOYSA-N
-rxn:4:212650:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,GYCVNNXZDVGXEB-UHFFFAOYSA-N
-rxn:4:212656:224161,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1,YWWAIYYJAAMPCX-UHFFFAOYSA-N
-rxn:4:212666:224596,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(N5CCCCC5C)cc4OC)cn3)CC2)cc1,NVJSBMRLPUJOIH-UHFFFAOYSA-N
-rxn:4:212685:225952,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCOCC5)nc4C)cc3)CC2)c([N+](=O)[O-])c1,OEVCRFWZFHWVSY-UHFFFAOYSA-N
-rxn:4:212694:222578,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3cccc(C(=O)Nc4ccc(C)cc4Cl)c3)CC2)C1=O,FFUOMIHEDNKCQG-UHFFFAOYSA-N
-rxn:4:212725:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)cc2)s1,GJQMXZJKAMJBEK-UHFFFAOYSA-N
-rxn:4:212738:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,CYKJCQREZQHLFO-UHFFFAOYSA-N
-rxn:4:212740:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,NLDFPXCHDYMERM-UHFFFAOYSA-N
-rxn:4:212754:222896,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3ccc(CNC(=O)OC(C)(C)C)s3)ccc21,CWMYRSNYOOAXED-UHFFFAOYSA-N
-rxn:4:212827:222896,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4ccc(CNC(=O)OC(C)(C)C)s4)ccc3[nH]2)CC1,YRBLEIKSDFHEAU-UHFFFAOYSA-N
-rxn:4:212833:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2cc(C)cc(C)c2s1,YELVANZBCBLWEW-UHFFFAOYSA-N
-rxn:4:212845:222896,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(CNC(=O)OC(C)(C)C)s5)c4)n(Cc4ccco4)c(=O)c23)C1,MFCIKOIEUDEYIM-UHFFFAOYSA-N
-rxn:4:212905:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccnc(OC3CN(C(=O)OC(C)(C)C)C3)n2)c(Cl)cn1,HRWJHJSFUYYLRI-UHFFFAOYSA-N
-rxn:4:212944:225213,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(N3CCN(C)CC3)cc2Cl)CC1,XFNHRKNEZXELCG-UHFFFAOYSA-N
-rxn:4:212967:225902,CON(C)C(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)C4CC4)CC3)nc2)cc1F,CCFRNZJVENHFRA-UHFFFAOYSA-N
-rxn:4:212968:225893,COCCOc1c(Cl)ccc(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)c1F,DFQYXLCVGUXHEB-UHFFFAOYSA-N
-rxn:4:212989:223180,CONC(=O)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1F,XLFLCIVCHKPSPC-UHFFFAOYSA-N
-rxn:4:213012:222875,CC(C)CC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)NC(C)(C)C)ccc3F)cn2)CC1,WEZHLZOCCWNVPJ-UHFFFAOYSA-N
-rxn:4:213031:224729,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccnc(OC)c3C(=O)OC(C)(C)C)cn2)C1,GULFDGKQXNYYLA-UHFFFAOYSA-N
-rxn:4:213037:222633,CC(C)CCN1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,SQAWWCPKZKBEHF-UHFFFAOYSA-N
-rxn:4:213038:226520,COc1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1OC,UGVOEFJFFFAGJJ-UHFFFAOYSA-N
-rxn:4:213049:222896,CC1CCN(c2oc(COc3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)nc2C#N)CC1,OWZDZHCGDAGSQF-UHFFFAOYSA-N
-rxn:4:213062:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)nc1,LTMIVRMIFYSCLB-UHFFFAOYSA-N
-rxn:4:213086:224325,CCc1cnc(OC2CCN(Cc3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)CC2)nc1,JXPLVXOWYRRYTL-UHFFFAOYSA-N
-rxn:4:213106:224773,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,FYUSZDLXYWQWPA-UHFFFAOYSA-N
-rxn:4:213123:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)s1,LUGZNNVDJLRGJB-UHFFFAOYSA-N
-rxn:4:213123:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,LSIAWSHFLGTOKT-UHFFFAOYSA-N
-rxn:4:213131:223945,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,BQWLICMLGFEOIP-UHFFFAOYSA-N
-rxn:4:213132:222634,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYWIUWBHAIBMQD-UHFFFAOYSA-N
-rxn:4:213132:222948,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,IMIJKPNUJBNSTK-UHFFFAOYSA-N
-rxn:4:213135:224290,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,CCSAJMISKTYBBU-UHFFFAOYSA-N
-rxn:4:213136:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3cnc(OCC4CCCN(CC5CCCO5)C4)nc3)cc21,HCOYICQXTDUBLL-UHFFFAOYSA-N
-rxn:4:213165:223279,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,FXSKQRAUYUDQEP-UHFFFAOYSA-N
-rxn:4:213175:223834,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)c3)CC2)ccn1,KERQUSOVEANTTP-UHFFFAOYSA-N
-rxn:4:213198:225947,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)nc3)c2)nc1C,JQWZGGROKDSQEZ-UHFFFAOYSA-N
-rxn:4:213201:222612,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)CC2)ncn1,LZMPTIFBSNLJON-UHFFFAOYSA-N
-rxn:4:213203:222948,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2)nn1,JKBNIFATAWBPRS-UHFFFAOYSA-N
-rxn:4:213216:223712,COc1ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,SGALKECAWFUXHP-UHFFFAOYSA-N
-rxn:4:213226:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)c(F)ccc21,UZODJAZAMQYAIH-HKBQPEDESA-N
-rxn:4:213242:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4cccc([N+](=O)[O-])c4)C3)cc2)s1,APFGFJMJPRYANI-UHFFFAOYSA-N
-rxn:4:213242:224817,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,JFBSCGCLMNPOFO-UHFFFAOYSA-N
-rxn:4:213244:226118,CCC(C)Oc1ccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCC3)c2)cc1C,WPDOAFQUZHNRCM-UHFFFAOYSA-N
-rxn:4:213259:224419,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)nc2)CC1(C)C,JMQZKTRUXJDMAZ-UHFFFAOYSA-N
-rxn:4:213268:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,QXXRYNWWCZGERG-DFBJGRDBSA-N
-rxn:4:213268:225947,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,PDILEDORILRSDR-CYFREDJKSA-N
-rxn:4:213278:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(c5nc(-c6cccc(OC)c6)no5)C4)cc3)c2)CC1,MILVMOKKMFMPSP-UHFFFAOYSA-N
-rxn:4:213279:222896,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,LGSIJTOREKPPOU-UHFFFAOYSA-N
-rxn:4:213281:226083,COc1c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccc2ccccc12,HUSRUEZPUNDERZ-UHFFFAOYSA-N
-rxn:4:213317:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(C#N)c4ccc5c(C(F)(F)F)cc(C(F)(F)F)nc5n4)cc3)cc2F)CC1,DNENCWYGIRMKLB-UHFFFAOYSA-N
-rxn:4:213359:225424,CCCCCC(=O)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCC4)nc4c(c3=O)SCC4)cc2)cc1,LBQSECDSYBQXPR-UHFFFAOYSA-N
-rxn:4:213407:222896,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(CNC(=O)OC(C)(C)C)s5)cc4s3)CC2)cc1,OIWIRETVALZNKV-UHFFFAOYSA-N
-rxn:4:213440:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)c1F,SWXXMWFUPRUFAO-UHFFFAOYSA-N
-rxn:4:213444:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1,OFTFYMMEIUVGML-UHFFFAOYSA-N
-rxn:4:213471:226019,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3OCC(F)(F)F)cc2)CC1,XWIDFQOUWAZVBC-UHFFFAOYSA-N
-rxn:4:213502:223539,COc1ccc(-c2cc(OCCN=[N+]=[N-])ccc2F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VXMCMEQRDBZWEU-UHFFFAOYSA-N
-rxn:4:213604:222615,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)cn2)C1,HIBKDVOXVCLAQP-UHFFFAOYSA-N
-rxn:4:213686:222654,CC(C)(C)C(=O)N1CC(Cn2cc(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cn2)C1,FAFFABGDXLQKNV-UHFFFAOYSA-N
-rxn:4:213715:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,POOJBIXQPLZJMG-UHFFFAOYSA-N
-rxn:4:213737:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ccncn3)C2)cc1,GABWWEPEYXTTKF-UHFFFAOYSA-N
-rxn:4:213796:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCOCC3)C2)c1,YKFLJGQRZMGZPN-UHFFFAOYSA-N
-rxn:4:213798:225898,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,YOASHDPVUYCEAR-UHFFFAOYSA-N
-rxn:4:213803:223662,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cn1,RGJILNYTJSSVTJ-UHFFFAOYSA-N
-rxn:4:213812:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)o1,LSHLQLAJQSQYQF-UHFFFAOYSA-N
-rxn:4:213849:223927,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc2cccnc21,CRQGGGQBJRPNGE-UHFFFAOYSA-N
-rxn:4:213863:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1,RCYMJAOZKXHHTD-UHFFFAOYSA-N
-rxn:4:213881:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,QWZOALDEFJWKGY-UHFFFAOYSA-N
-rxn:4:213884:224171,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)CC1,GSEKAJGZSBDPDG-UHFFFAOYSA-N
-rxn:4:213892:225898,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(CCN3CCOCC3)c2)CC1,CQJJWYJQVHPPES-UHFFFAOYSA-N
-rxn:4:213894:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,DHHPUDAIRODJKX-UHFFFAOYSA-N
-rxn:4:213901:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,GRWPNGSTGUSCBV-UHFFFAOYSA-N
-rxn:4:213902:223120,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4CC4)c3)cc2F)CC1,JWTFUULOWQLNIU-UHFFFAOYSA-N
-rxn:4:213932:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,URCAPXPWZYRWBA-UHFFFAOYSA-N
-rxn:4:213949:224324,Cc1cc(C)n(CC2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)o3)CC2)n1,JAFZVERMFVWBRL-UHFFFAOYSA-N
-rxn:4:213971:228694,CCN(C)c1csc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,OGTGYUMSSFWNTL-UHFFFAOYSA-N
-rxn:4:213972:228089,CCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,YDAQJEHVACHGBS-UHFFFAOYSA-N
-rxn:4:213976:222913,CC1CN(c2cccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)n2)CCN1C(=O)OC(C)(C)C,MXMGJVDPKVGFSP-UHFFFAOYSA-N
-rxn:4:214013:222896,COc1cc(N2CCN(C(=O)c3cccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)c3C)CC2=O)ccn1,FYXBSDWGDPLGDS-UHFFFAOYSA-N
-rxn:4:214026:224306,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)C1)N1CCOCC1,KQHLSJQPJTXLSF-UHFFFAOYSA-N
-rxn:4:214028:223101,CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1OC,DYEZYLSWASLNRF-UHFFFAOYSA-N
-rxn:4:214028:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCCC2)C1,ZASLEAYPDBMCAZ-UHFFFAOYSA-N
-rxn:4:214033:223093,CC(C)[C@H]1COC(c2cc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,SYKNNXCUEQDIOV-DHIUTWEWSA-N
-rxn:4:214033:227819,CCc1cc(CC)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,LMFONNLENSSSHL-JWQCQUIFSA-N
-rxn:4:214065:225754,COC(=O)c1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c(C2CC2)cn1,HNKKURKPGMEPPE-UHFFFAOYSA-N
-rxn:4:214066:226107,Cc1cc(OCC2CC2)cc(-c2cccc(N3C(=O)CC(N4CCN(C(=O)c5ccccc5)CC4)C3=O)c2)c1,HMACSROTVMSNRC-UHFFFAOYSA-N
-rxn:4:214072:222735,O=C(NC1CCCCC1)c1cccc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)c1,AWDDBCOXGDWVFD-UHFFFAOYSA-N
-rxn:4:214080:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)s1,PENMFYIAJLSFHU-UHFFFAOYSA-N
-rxn:4:214081:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)s1,WHUUTBFPZFHOMP-UHFFFAOYSA-N
-rxn:4:214081:226994,CCCOc1ccc(C)cc1-c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=S)cc1,CNKRYZRLMDYWQC-UHFFFAOYSA-N
-rxn:4:214082:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KPJSLJCWGXAHAP-UHFFFAOYSA-N
-rxn:4:214082:224765,CC(C)N1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cc2N2CCOCC2)CC1,PFLMKCRGLZLGJP-UHFFFAOYSA-N
-rxn:4:214115:222896,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c1N=S=N2,YHOGGAUTGQTTFU-UHFFFAOYSA-N
-rxn:4:214179:222819,CC(C)(C)OC(=O)N1CC(c2ncn3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc23)C1,AHZHGDLZPZFHKL-UHFFFAOYSA-N
-rxn:4:214180:222826,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3n2)C1,KEPFLJXUBDBZHO-UHFFFAOYSA-N
-rxn:4:214254:223635,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc21,CPCGAXIXLLORCR-UHFFFAOYSA-N
-rxn:4:214305:222896,Cn1c(C(=O)N2CCN(C(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)cc2ccccc21,NHMPSICFLCECDO-UHFFFAOYSA-N
-rxn:4:214342:222896,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)c2ccccc2n1,ACVCVWZBKFBULZ-UHFFFAOYSA-N
-rxn:4:214390:225977,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cnc4N4CCOCC4)ccc2OC32CCN(C(C)=O)CC2)cc1,VSAYROUBKNJHGX-UHFFFAOYSA-N
-rxn:4:214480:223753,Cc1ccc(-c2cnc(C(=O)ON3C(=O)CCC3=O)cn2)cc1OCCCN1CCN(C)CC1,GRJXUDJAEMAWPK-UHFFFAOYSA-N
-rxn:4:214481:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(-n4cc(C(=O)C(F)(F)F)nn4)cc3F)cc2)C1,JFXOUQQRFBIRCS-UHFFFAOYSA-N
-rxn:4:214655:222886,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(N3CCNCC3)cc2C#N)cn1,DCTJMQJLSBQEKX-UHFFFAOYSA-N
-rxn:4:214683:224398,CCN1CCN(C(=O)c2ncc(-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)cc2Cl)CC1,GHPOZPMCHNBAMO-UHFFFAOYSA-N
-rxn:4:214709:224587,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cn2)CC1,VQUPTDYQCSCCGA-UHFFFAOYSA-N
-rxn:4:214711:222743,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(C)N4CCC(O)CC4)cc3)cn2)CC1,JBPUFGGQHQOHTF-UHFFFAOYSA-N
-rxn:4:214712:224176,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cn1,ZVSBEMGSRBPXOV-UHFFFAOYSA-N
-rxn:4:214718:225144,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCOCC4)cc3C#N)c2)CC1,ZRPCBGAMMWWSKC-UHFFFAOYSA-N
-rxn:4:214718:225173,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(C(=O)N4CCCC4)cc3F)c2)CC1,LCHGSFOGOFAAJM-UHFFFAOYSA-N
-rxn:4:214718:225180,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)CC1,MCLJMSNABJQQQU-UHFFFAOYSA-N
-rxn:4:214730:225212,CN1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,GCVUNOHPVJVFEV-UHFFFAOYSA-N
-rxn:4:214731:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cccnc1N1CCN(S(=O)(=O)C2CC2)CC1,GFALDCPRFPRSFI-UHFFFAOYSA-N
-rxn:4:214734:224283,CC(C)(C)Oc1ncc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)c(OC(C)(C)C)n1,BAWLEEDPIZVLFO-UHFFFAOYSA-N
-rxn:4:214735:222624,CC(C)Cc1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc(C2CCNCC2)n1,WBCJUOKPPHIIMN-UHFFFAOYSA-N
-rxn:4:214737:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,NFDZAVAYAZKYAZ-UHFFFAOYSA-N
-rxn:4:214742:224672,CCN1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)c(Cl)c2)CC1,DHSFXHWDBPRFOO-UHFFFAOYSA-N
-rxn:4:214743:222896,CN(C)C1CCN(c2cccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2C#N)CC1,JMAPANHXNNRJDM-UHFFFAOYSA-N
-rxn:4:214746:224352,CN(C)C1CCN(c2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2C#N)CC1,QFYHBSQAEUSDPH-UHFFFAOYSA-N
-rxn:4:214748:224195,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2Cl)CC1,UVWQCDCGXPEQGS-UHFFFAOYSA-N
-rxn:4:214758:223841,Cc1cc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3cnn(C)c3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PPGSLNPTNISECC-UHFFFAOYSA-N
-rxn:4:214765:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])cc2)C1,ICXQXMKMSADLAZ-UHFFFAOYSA-N
-rxn:4:214772:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)c(F)ccc21,RUERRAZXXQJDCH-UHFFFAOYSA-N
-rxn:4:214818:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)ccn2)CC1,FMMMNNPNWICIEH-UHFFFAOYSA-N
-rxn:4:214819:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)cc2C)cc1,FWEZMGHLAQFPNQ-UHFFFAOYSA-N
-rxn:4:214837:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)ccn2)CC1,QRIULGYAVXMSGK-UHFFFAOYSA-N
-rxn:4:214838:224819,O=C(C1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2F)CCO1)N1CCOCC1,YOZQWFKRHULGOX-UHFFFAOYSA-N
-rxn:4:214854:222989,Cc1cc(N2CCNCC2)ccc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,KYIPHDUUBWYFON-UHFFFAOYSA-N
-rxn:4:214854:224949,COc1ccc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)cc1CN1CCCC1,ILFDIQZSZSDLDP-UHFFFAOYSA-N
-rxn:4:214862:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,DSFCZUJMJOFSQO-UHFFFAOYSA-N
-rxn:4:214862:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c2)CC1,OOAVUBYCPDECIX-UHFFFAOYSA-N
-rxn:4:214865:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,BCKBCNHPLXUAMY-UHFFFAOYSA-N
-rxn:4:214868:226259,CCCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1Cl,NJPPVWYZNMSVCH-UHFFFAOYSA-N
-rxn:4:214880:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1Cl,FODZVXIHTKMPAF-UHFFFAOYSA-N
-rxn:4:214896:223039,Cc1cc(-c2ccc(F)c(C(=O)NC(C)C)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,MSAICCRDRYRRKS-UHFFFAOYSA-N
-rxn:4:215067:223840,COc1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)cc1S(=O)(=O)N1CCN(C)CC1,ZIHHYELNLREDMN-UHFFFAOYSA-N
-rxn:4:215101:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c1,ISELJRAXTOTARA-UHFFFAOYSA-N
-rxn:4:215102:223886,CC(C)(C)OC(=O)N1CCc2nc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2CC1,XYXHEPJUPYMIOM-UHFFFAOYSA-N
-rxn:4:215112:223997,CCC(=O)N1CCN(c2nc3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3s2)CC1,DDWQMKNADZCKML-UHFFFAOYSA-N
-rxn:4:215148:224159,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)n2CC1(C)C,NFBCBFYLUQISNY-UHFFFAOYSA-N
-rxn:4:215166:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)CC1,SKDZBMYDYBAQPW-UHFFFAOYSA-N
-rxn:4:215170:224497,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)c3)cc2)CC1,VHJUSYOGUDAVDT-UHFFFAOYSA-N
-rxn:4:215189:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2nc(N3CCN(C(=O)C(C)(C)C)CC3)sc2c1,CDYJRLJCVUXQSE-UHFFFAOYSA-N
-rxn:4:215198:226477,CCCCOc1ncc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)sc2c1,YCRSDBLKUIXYOD-UHFFFAOYSA-N
-rxn:4:215238:223569,Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)CC2)nc2c(C)cccc12,NYZDDUBZXUJDMS-UHFFFAOYSA-N
-rxn:4:215238:224365,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)cc2)cc(C(F)(F)F)c1F,BKRVVZCPBURCQT-UHFFFAOYSA-N
-rxn:4:215288:225291,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4ccc(C(F)(F)F)cc4OC(C)C)cc2)C1=O)C3,QSDVCNGGORXGNH-UHFFFAOYSA-N
-rxn:4:215688:223748,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nc(N2CCCC2)c1,OMDTXBGNHRZBPE-UHFFFAOYSA-N
-rxn:4:215711:224283,CC(C)(C)Oc1ncc(-c2cncc([N+](=O)[O-])c2N2CCC(F)(F)C2)c(OC(C)(C)C)n1,GWRJPQVIBAVDJE-UHFFFAOYSA-N
-rxn:4:215772:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,OOQCZEABCSBHKR-UHFFFAOYSA-N
-rxn:4:215802:223681,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc2cc([N+](=O)[O-])ccc21,DBRYUCATLNYDQB-UHFFFAOYSA-N
-rxn:4:215899:222542,Cc1ccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cc1OCCCN1CCNCC1,DUHXUUVPWNQACU-UHFFFAOYSA-N
-rxn:4:215900:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1S(=O)(=O)NC1CCCC1,AWZPZNQIYTVMRD-UHFFFAOYSA-N
-rxn:4:215906:223787,CN1CCN(CCCOc2ccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)cc2F)CC1,LVSXEADPGGPBDG-UHFFFAOYSA-N
-rxn:4:215907:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,SDHWDXSIEVCYAS-UHFFFAOYSA-N
-rxn:4:215915:222783,CN1CCN(c2cc(C(F)(F)F)c(-c3ccc(Cl)c(NC(=O)OC(C)(C)C)c3)cn2)CC1,QKYCCUSHQLWHDI-UHFFFAOYSA-N
-rxn:4:215942:223728,CCCCCC1CCC(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-UHFFFAOYSA-N
-rxn:4:215943:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccnc(N4CCC(N(C)C)CC4)c3)c2)CC1,LYWODQPBXKCKNC-UHFFFAOYSA-N
-rxn:4:215945:223894,CN1CCN(CCCOc2cccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)c2)CC1,FVHXARYUFCTIKO-UHFFFAOYSA-N
-rxn:4:215955:223997,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,SKRUZIHLQAWWAF-UHFFFAOYSA-N
-rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
-rxn:4:215956:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(N4CCC(N(C)C)CC4)c3)c2)CC1,OLELFDUIPXJTCM-UHFFFAOYSA-N
-rxn:4:215959:224800,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1ccc(OC(F)(F)F)c(OC(C)C)c1,JYJUMLDKOTUINV-UHFFFAOYSA-N
-rxn:4:215989:222896,CN1CCN(C2CCN(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)CC1,PHTPXYBZJZYNPO-UHFFFAOYSA-N
-rxn:4:216218:222628,COc1nc(N2CC3CCCC3C2)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,QMRICYZJXRKHLU-UHFFFAOYSA-N
-rxn:4:216342:222466,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc2OC3c2cccnc2)cc1,OWLABSWZGWSYQU-UHFFFAOYSA-N
-rxn:4:216779:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nccc(N4CCC4)n3)cc2[N+](=O)[O-])CC1,DKGQIQVVXWHXDB-UHFFFAOYSA-N
-rxn:4:217809:223489,Cn1c(=O)n(C)c2cc(S(N)(=O)=O)c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc21,HYYOIOGRVFSKRH-UHFFFAOYSA-N
-rxn:4:217865:223726,C=C1CC2CCC(C1)N2c1ncc(-c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2F)cn1,NTFVFEOZRPDJKC-KCKVDPLKSA-N
-rxn:4:218553:224017,O=C(CCc1ccccc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F)N1CC(Cn2cncn2)C1,XLJLTGPSUFDNAG-UHFFFAOYSA-N
-rxn:4:218587:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,PJYHZLUOOFTWRO-UHFFFAOYSA-N
-rxn:4:218587:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,YJKMQEFGLLUOGK-UHFFFAOYSA-N
-rxn:4:218603:224050,CCc1cc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1OCc1ccccc1,XCMGFAMTMPQYFP-UHFFFAOYSA-N
-rxn:4:218674:227013,CCOc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)cc1CC,PQJJUILXSBWGSU-UHFFFAOYSA-N
-rxn:4:218676:222841,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1ccc(C(=O)NC2CCCC2)cc1,VJVDKBDSCBBORG-UHFFFAOYSA-N
-rxn:4:218682:223080,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC(C)C)cc4)cn3)C2)CC1,FHTIVQLXKGBVKU-UHFFFAOYSA-N
-rxn:4:218696:224394,Cc1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)cc1S(=O)(=O)N1CCOCC1,UPYICYXHKLSZOP-UHFFFAOYSA-N
-rxn:4:218703:222847,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cc(C#N)cc(C5CCCNC5)c4)CC3)[nH]n2)cc1,SAFVRLDIDLNWRN-UHFFFAOYSA-N
-rxn:4:218708:225363,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C(=O)N6CC(F)(F)C6)nc5)cc4)n[nH]3)CC2)c(OC)c1,TYCOJGIXPOIUIG-UHFFFAOYSA-N
-rxn:4:218729:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3nc4sccn4c3C=NOCC(=O)N3CCOCC3)cc2)s1,NEZGCJVGLOOAID-UHFFFAOYSA-N
-rxn:4:218745:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cnc(OCC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nc1,GUPLOHCMOHSUPQ-UHFFFAOYSA-N
-rxn:4:218745:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)ccc2F)CC1,YCYMORQLZGHUKE-UHFFFAOYSA-N
-rxn:4:218773:222784,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc1F,HARZICDYRSNHFG-UHFFFAOYSA-N
-rxn:4:218777:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3c(C)nn(C(C)CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c3C)c2)cc1,ZAKYSTFJUYYNGL-UHFFFAOYSA-N
-rxn:4:218817:222432,COCc1cn(C2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)o3)C2)nn1,YYRKDWKIWBAMMD-UHFFFAOYSA-N
-rxn:4:218868:222896,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)no1,MVYGYUUMXNPVDT-UHFFFAOYSA-N
-rxn:4:218868:225218,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2)no1,SHHYBZOVUICJTK-UHFFFAOYSA-N
-rxn:4:218868:225952,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)nc3C)cc2)no1,QRUMEYGICUOJPE-UHFFFAOYSA-N
-rxn:4:218885:222546,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,CFFLLSRVCGHZKG-UHFFFAOYSA-N
-rxn:4:218888:222634,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYHKICCLGYURIM-UHFFFAOYSA-N
-rxn:4:218894:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,QXCYYDVGDKWXAT-UHFFFAOYSA-N
-rxn:4:218920:223812,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc1,QLSYBAJKFYERDH-UHFFFAOYSA-N
-rxn:4:218921:223604,O=C(CCc1ccccc1-c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCN(c2ncc(F)cn2)C(=O)C1,BRMDFOHFWLSJFY-UHFFFAOYSA-N
-rxn:4:218944:223056,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCC(O)CC4)nc3)cc2[N+](=O)[O-])CC1,IOEUBGDFBWIGNJ-UHFFFAOYSA-N
-rxn:4:218944:226512,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccncc3OCC3CCO3)cc2[N+](=O)[O-])CC1,FIOPTCWYABAYAY-UHFFFAOYSA-N
-rxn:4:218944:227464,CCCCSc1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,BKEWIADQJSKAAB-UHFFFAOYSA-N
-rxn:4:218945:228119,CC(C)Sc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,DVFNKCPQBGKEJI-UHFFFAOYSA-N
-rxn:4:218964:226227,COCCCOc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)cc1,AHMNAGPQCGXFPG-UHFFFAOYSA-N
-rxn:4:218972:224171,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCCC5)c(F)c4)cn3)C2)s1,SBOKHLMBMUVOHI-UHFFFAOYSA-N
-rxn:4:218975:224704,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2C#N)CC1,NDYYHIKQXPGGHE-UHFFFAOYSA-N
-rxn:4:218976:222512,O=C(Nc1ccccc1)c1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc([N+](=O)[O-])c1,LTZRQWDNFFOHTG-UHFFFAOYSA-N
-rxn:4:218992:228692,CN(C)Cc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,WQLKWCQMXDLLMA-UHFFFAOYSA-N
-rxn:4:219001:229163,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnnc(OC)c3)C2)C(=O)C1=O,AGUDIFVLCIKVHZ-UHFFFAOYSA-N
-rxn:4:219050:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3csc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)n3)cc2)s1,OKJPAUAMDGMEMR-UHFFFAOYSA-N
-rxn:4:219073:224284,COc1ccc(COc2ncc(-c3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])c(N6CCCC6)c5)CC4)cc3)cn2)cc1,HVFPTFQPCCYDCZ-UHFFFAOYSA-N
-rxn:4:219075:222654,COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc(-c5ccc(Cl)c(C(=O)NC6CCCCC6)c5)c4)CC3)[nH]n2)cc1,HCLDVULDCPOVPP-UHFFFAOYSA-N
-rxn:4:219078:224791,CC(C)OC(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c([N+](=O)[O-])c1,FWTNCGKBESENLU-UHFFFAOYSA-N
-rxn:4:219096:224650,O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(-c3cc(F)ccc3OCC3CCOCC3)cn2)C1,JHODPMOFAROIDW-UHFFFAOYSA-N
-rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
-rxn:4:219174:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1CCC(=O)N1CCCc2cnc(N3CCOCC3)nc21,ZVPIJDAFRQPAOO-UHFFFAOYSA-N
-rxn:4:219175:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)ccc1Cl,MYVIBPSXDGMNGT-UHFFFAOYSA-N
-rxn:4:219187:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)n3)cc2)s1,DBSNOGZXSINMFB-UHFFFAOYSA-N
-rxn:4:219338:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,COYCFJALRCTWHN-UHFFFAOYSA-N
-rxn:4:219382:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(-n3cnn(CCN4CCOCC4)c3=O)c(F)c2)CC1,BCZIVEWFEICLGW-UHFFFAOYSA-N
-rxn:4:219389:222522,COc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccnc4)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,LNRPNAPDLPFUAZ-UHFFFAOYSA-N
-rxn:4:219403:222485,Cc1cccc(NC(=O)c2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cc2F)c1C,MWKZZGJVYYMVPP-UHFFFAOYSA-N
-rxn:4:219404:225876,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(Cl)ccc3N3CCOCC3)n2)CC1,GVSLCQKYGGJCOG-UHFFFAOYSA-N
-rxn:4:219418:224781,COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C5CCCO5)c(C(F)(F)F)c4)c3)CC2=O)ccn1,ZFMBFFPIXQXUDT-UHFFFAOYSA-N
-rxn:4:219419:223695,Cc1nc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)o3)CC2)cc(C(F)(F)F)n1,LSTSOLOYEOKFBW-UHFFFAOYSA-N
-rxn:4:219439:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1,SKOKBSMXEIKMES-UHFFFAOYSA-N
-rxn:4:219469:222583,CSc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,SUTQVBPPBWERBG-UHFFFAOYSA-N
-rxn:4:219471:226236,CCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,WNJJECLQGSVDDT-UHFFFAOYSA-N
-rxn:4:219479:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)c1F,OTTBCKJMPKZQGU-UHFFFAOYSA-N
-rxn:4:219497:224809,N#Cc1cc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,STLBBKRRNWXCTI-UHFFFAOYSA-N
-rxn:4:219500:227495,CCN(C)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c(F)cn1,NXDKYYHQKLKEGF-UHFFFAOYSA-N
-rxn:4:219536:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5cn(C)c(C)n5)CC4)o3)cc2)CC1,ILEZLTZUJUQQAP-UHFFFAOYSA-N
-rxn:4:219537:222398,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)ccc1NC(=O)NC1CC1,DMWHSGTVUNRGMX-UHFFFAOYSA-N
-rxn:4:219576:224393,CCOC(=O)Cn1c(-c2cc(C(F)(F)F)ccc2N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,IHBXNQXEVINETI-UHFFFAOYSA-N
-rxn:4:219591:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(C(=O)N5CC(Oc6nccs6)C5)n(C)nc4c3)cc2F)CC1,BLUJVQKDLFZWGW-UHFFFAOYSA-N
-rxn:4:219638:222721,CC(C)(C)OC(=O)N1CCCC1c1nnn2cc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)ccc12,YGPNZGCHRIEBBZ-UHFFFAOYSA-N
-rxn:4:219639:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,VBBQMYHFPJZVHO-UHFFFAOYSA-N
-rxn:4:219675:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)c2)CC1,OBKRLLXRQVGVBP-UHFFFAOYSA-N
-rxn:4:219689:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)CC1,ABKZXDPWDKBJOE-UHFFFAOYSA-N
-rxn:4:219692:224162,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c3cnc(Cl)nc32)CC1,RGTVEUPYPSVLFU-UHFFFAOYSA-N
-rxn:4:219707:223150,CN(C)CCNc1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)ccn1,UOFGCXGIANECOB-UHFFFAOYSA-N
-rxn:4:219750:222915,COc1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,GJFLORZQACEAKV-UHFFFAOYSA-N
-rxn:4:219759:223981,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)cc4)cc2)OC3)CC1,DWTCSCWDHHCUHE-UHFFFAOYSA-N
-rxn:4:219759:225975,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,JPZYMESJHQEKIC-UHFFFAOYSA-N
-rxn:4:219769:222896,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc2)OC3)CC1,CWUZETUKEXNOMZ-UHFFFAOYSA-N
-rxn:4:219778:222797,CCn1cc(-c2nc(-c3ccc(-c4cc(C)ccc4S(=O)(=O)NC(C)(C)C)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BHZYHHGRIKJKEB-UHFFFAOYSA-N
-rxn:4:219856:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(n4ccnn4)CC3)o2)CC1,JHYPGFIZBKPUDM-UHFFFAOYSA-N
-rxn:4:219859:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(n4nccn4)CC3)o2)CC1,GMPDMKQUYPMYEC-UHFFFAOYSA-N
-rxn:4:219859:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(n4nccn4)CC3)o2)CC1,VUYRGJPUBIPLII-UHFFFAOYSA-N
-rxn:4:219867:224178,CCN1CCN(c2ncc(-c3cccc(OCCN4CCN(C)CC4)c3)cc2[N+](=O)[O-])CC1,AXEAPQMKCGILEV-UHFFFAOYSA-N
-rxn:4:219867:224780,CCN1CCN(c2ncc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,BQPQRQLWVXXIAF-UHFFFAOYSA-N
-rxn:4:219895:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C(=O)N2CCC(n3ccnn3)CC2)CC1,RRZVHJOPPLGCOY-UHFFFAOYSA-N
-rxn:4:219904:225805,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCOCC1,XDLSAWXRCHLZLL-UHFFFAOYSA-N
-rxn:4:219908:222607,CN1CCCN(c2oc(-c3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,WFYDMTRAFQQFTQ-UHFFFAOYSA-N
-rxn:4:219908:224325,CN1CCCN(c2oc(-c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,BSCXSHOYBIPYTE-UHFFFAOYSA-N
-rxn:4:219911:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(Cc4ccccc4)C(=O)C3)nc2)CC1,HLMOMIMWXIGYLV-UHFFFAOYSA-N
-rxn:4:219912:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1,FLKOSVXEDCLJRL-UHFFFAOYSA-N
-rxn:4:219912:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1,QABNAIAIYITQTG-UHFFFAOYSA-N
-rxn:4:219913:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1,ZJRZEDLHCMJBAB-UHFFFAOYSA-N
-rxn:4:219914:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1,KGZJJGOVSAHLEE-UHFFFAOYSA-N
-rxn:4:219915:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1,SNTAJTAKSDGTCO-UHFFFAOYSA-N
-rxn:4:219916:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,SGADMSBCDNQELA-UHFFFAOYSA-N
-rxn:4:219951:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4nccn4C)CC3)c2)CC1,KESJHYLFNFTZCD-UHFFFAOYSA-N
-rxn:4:219957:223845,COc1cccc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cn3)CC2)c1,IONTUPIHCKLWOE-UHFFFAOYSA-N
-rxn:4:219959:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)CC1,IOLCADBSIQWGFR-UHFFFAOYSA-N
-rxn:4:219959:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2cccnc21,ZFZHBYHFVFHNEI-UHFFFAOYSA-N
-rxn:4:219962:224367,Cc1cc(-n2nnc(C(=O)N3CCSCC3)c2C)ccc1-c1ccc(OC(F)(F)F)c(OCC(C)C)c1,GCDBZGGAKKQVHU-UHFFFAOYSA-N
-rxn:4:219975:226715,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cn1,SOQQCJALUVMSJQ-UHFFFAOYSA-N
-rxn:4:219983:223845,CCc1cc(N2CCN(c3cccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)c3)CC2)ncn1,NCWXBGDLJXXLMR-UHFFFAOYSA-N
-rxn:4:219984:223845,CCc1cc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)ncn1,CWNDTPGBWKBXKA-UHFFFAOYSA-N
-rxn:4:219985:223845,CCc1cnc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)nc1,IVKBBXLNSIYBJW-UHFFFAOYSA-N
-rxn:4:219988:226250,CCCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,IALPHSHRTXHEJS-UHFFFAOYSA-N
-rxn:4:219995:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(c4ccnc(C5CC5)n4)CC3)c2)CC1,IMYBHKNRRYSKQC-UHFFFAOYSA-N
-rxn:4:219996:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)CC1,LUZZIHRJDXPCOV-UHFFFAOYSA-N
-rxn:4:219997:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)CC1,QQFBRRMDOPZVDJ-UHFFFAOYSA-N
-rxn:4:220041:223939,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2C1,QVVSGCDAFOQRFI-UHFFFAOYSA-N
-rxn:4:220118:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1,NJDCEUBTMCCNJQ-UHFFFAOYSA-N
-rxn:4:220125:224592,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4cncn4)C5)c3)c2)CCCCC1,PHKFDFSUSLLWTP-UHFFFAOYSA-N
-rxn:4:220125:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2C3CCC2CC(n2cncn2)C3)c1,YTNOYWCMQUJQHL-UHFFFAOYSA-N
-rxn:4:220158:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,OUJOXEYOSQKZJP-UHFFFAOYSA-N
-rxn:4:220162:226122,COCc1ccc(C2CC2)c(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c1,PEUPSIYRCPPIFU-UHFFFAOYSA-N
-rxn:4:220209:225329,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1OCC(F)(F)F,WBSMWMSKIISRAY-UHFFFAOYSA-N
-rxn:4:220224:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C2Cn3nnc(C(=O)N4CCCCCC4)c3CO2)cc1,RWBGWKYUWDFWJU-UHFFFAOYSA-N
-rxn:4:220422:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2[N+](=O)[O-])CC1,SZYPNXFPNHSNGY-UHFFFAOYSA-N
-rxn:4:220475:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc([N+](=O)[O-])c(N4CCCCC4)c4nsnc34)c2)C1,ATJVVVAICMRWJV-UHFFFAOYSA-N
-rxn:4:220533:224634,COc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc1CN1CCOCC1,DYHJUOSBTAKKJY-UHFFFAOYSA-N
-rxn:4:220533:225232,CC1CCN(c2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cnc2Cl)CC1,QJBOHIHVLRIUAN-UHFFFAOYSA-N
-rxn:4:220544:225195,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(F)c(OC6CCCCO6)c5)c(C)c4)C3C2=O)cc1F,FALYATLYYLVTGO-UHFFFAOYSA-N
-rxn:4:220546:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)c2)CC1,KXZXCQHZRZPVFZ-UHFFFAOYSA-N
-rxn:4:220546:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)cc2)CC1,XITXVWBKWIJFCM-UHFFFAOYSA-N
-rxn:4:220546:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)c2)CC1,NRRLSSQHRDGINW-UHFFFAOYSA-N
-rxn:4:221097:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)ccc2F)CC1,RHGCCONUQBHLPE-UHFFFAOYSA-N
-rxn:4:221111:224965,O=C(C1CC(=O)N(c2cccc(-c3cccc(OCC4CCOCC4)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,YMMSGDXADOGBAK-UHFFFAOYSA-N
-rxn:4:221111:225307,O=C(C1CC(=O)N(c2cccc(-c3ccc(C4COC4)c(C(F)(F)F)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,GGPIFRNSIPPFNY-UHFFFAOYSA-N
-rxn:4:221121:223057,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)nc(C6CCCNC6)c5)ccc43)CC2)CC1,GBWHWOCBRQULGA-UHFFFAOYSA-N
-rxn:4:221121:223255,CONC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QJOMLFSPWVDXSU-UHFFFAOYSA-N
-rxn:4:221128:222477,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(C(=O)NCc6ccc(C)cc6)c5F)cc4)nnn3c3ccccc23)C1,SXLZKRUCLMCOBC-UHFFFAOYSA-N
-rxn:4:221153:222723,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,WWKMGCRVGMZWJA-UHFFFAOYSA-N
-rxn:4:221172:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)cc2F)CC1,CIDOTFBIOQNKKM-UHFFFAOYSA-N
-rxn:4:221175:228924,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)nc(OC)c4)cn3)C2)C(=O)C1=O,VCCPOFUTKMPYAH-UHFFFAOYSA-N
-rxn:4:221182:222834,CCC(CC)NC(=O)c1ccc(-c2cnc(N3CCC(N4CC(=O)N(CCOC)C4=O)CC3)nc2)cc1,MOFCRGOFPKRJCN-UHFFFAOYSA-N
-rxn:4:221190:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cn3)CC2)o1,DLSMNRLJXURRIN-UHFFFAOYSA-N
-rxn:4:221194:223084,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)CC2)cn1C,UBGOAAXCUXQKTJ-UHFFFAOYSA-N
-rxn:4:221230:224763,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(Cl)ccc4C(=O)N4CCOCC4)cn3)C1)CCC2,MEVZZVXLGSYYOE-UHFFFAOYSA-N
-rxn:4:221232:225872,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)c(N5CCCC5)c4)cn3)C1)CCOC2,YLYDCSJZWKNHFM-UHFFFAOYSA-N
-rxn:4:221232:225877,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C1)CCOC2,XXJPPBCUMXLAKO-UHFFFAOYSA-N
-rxn:4:221233:223812,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)ccc2n1,CGOUFIUBMVRPJQ-UHFFFAOYSA-N
-rxn:4:221240:223533,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C1)CCC2,UEDJZOBCTHUNIJ-UHFFFAOYSA-N
-rxn:4:221369:223532,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,LIWIOQPVCGKCNM-UHFFFAOYSA-N
-rxn:4:221369:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)ccc2Cl)CC1,VEIJVWRTNPPZKQ-UHFFFAOYSA-N
-rxn:4:221390:223997,COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,RQJFXWDYJSXYNO-UHFFFAOYSA-N
-rxn:4:221391:224372,CSc1ncc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,OZGHYLGIFOXQRZ-UHFFFAOYSA-N
-rxn:4:221402:222598,Cc1cc(-c2ccccc2CN2CCN(c3ccnc(N(C)C)n3)CC2)cc(C)c1S(=O)(=O)NC1CCCC1,BKMPQMVSFOOWJB-UHFFFAOYSA-N
-rxn:4:221404:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(CN3CCN(c4ccnc(N(C)C)n4)CC3)c2)CC1,WXUXSOJRGJAVBK-UHFFFAOYSA-N
-rxn:4:221413:225891,COc1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cnc1C(OC)OC,GXUGOVXODDVOLE-UHFFFAOYSA-N
-rxn:4:221415:222896,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)n1,VABFROJFYRNYFE-UHFFFAOYSA-N
-rxn:4:221415:226001,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)cc3)CC2)n1,OCUCFZZUMYKFFG-UHFFFAOYSA-N
-rxn:4:221425:223975,CC(C)(C)OC(=O)n1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c2nc(Cl)ccc21,XVZAGMKINDTEGF-UHFFFAOYSA-N
-rxn:4:221429:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1,BEKBSZONGPDMMN-UHFFFAOYSA-N
-rxn:4:221433:226528,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(Cl)c1,OZKYTCOHOWGPPP-UHFFFAOYSA-N
-rxn:4:221433:226529,CCOC(=O)c1ccc(Cl)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,KNGLRIIZQXYGMQ-UHFFFAOYSA-N
-rxn:4:221437:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc2cccnc21,AOCDNWAKZWXZTD-UHFFFAOYSA-N
-rxn:4:221439:226973,CC1(C)COc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)cc21,IZULGKPXEGVNSU-UHFFFAOYSA-N
-rxn:4:221439:227710,CS(=O)(=O)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1,FGLNXBTZIJIYCJ-UHFFFAOYSA-N
-rxn:4:221440:226417,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(N5CCCC5)c4)cc3)CC2)n1,ZQHIIXKETIDXET-UHFFFAOYSA-N
-rxn:4:221440:226946,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN(C)C5)cc3)CC2)n1,KQIXYTPHUOHHHR-UHFFFAOYSA-N
-rxn:4:221440:227659,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4C)cc3)CC2)n1,FLJMRHGWDCYELS-UHFFFAOYSA-N
-rxn:4:221440:227679,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)CC2)n1,RVTVRQNDHVLITD-UHFFFAOYSA-N
-rxn:4:221440:227680,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OC(F)(F)O5)cc3)CC2)n1,NKNWEXLNLFTVKO-UHFFFAOYSA-N
-rxn:4:221441:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cn1,GICXNUSUDBPIKH-UHFFFAOYSA-N
-rxn:4:221445:225547,CCCCOc1cc(F)c(C)cc1-c1cccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1,JRKYLTADPAWIFA-UHFFFAOYSA-N
-rxn:4:221446:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,HREKFSSOUQTTHN-UHFFFAOYSA-N
-rxn:4:221449:222896,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)CC2)n1,XIYNKACHOFRWPN-UHFFFAOYSA-N
-rxn:4:221449:223311,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2)n1,WUASSFFMBZGOSM-UHFFFAOYSA-N
-rxn:4:221451:222801,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)CC2)n1,CIVKGFKSKDADLC-UHFFFAOYSA-N
-rxn:4:221451:226529,CCOC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,OFAVBFFEPLDALP-UHFFFAOYSA-N
-rxn:4:221452:226528,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c(Cl)c1,DCGVQLXKMQKMSD-UHFFFAOYSA-N
-rxn:4:221452:226533,CCOC(=O)c1cc(F)ccc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,SGKMEMGPOHEUJV-UHFFFAOYSA-N
-rxn:4:221455:227248,CCCOc1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,TYIDLDMWLBNGMC-UHFFFAOYSA-N
-rxn:4:221455:227710,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc1,WIDCCZNSUVBIIF-UHFFFAOYSA-N
-rxn:4:221456:226946,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN(C)C5)cc3)CC2)n1,MXGCUEVUWQPCGM-UHFFFAOYSA-N
-rxn:4:221456:227659,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4C)cc3)CC2)n1,QVWDPFRPBHGONL-UHFFFAOYSA-N
-rxn:4:221456:227679,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)CC2)n1,HJEYYENHCFPEHV-UHFFFAOYSA-N
-rxn:4:221456:227680,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OC(F)(F)O5)cc3)CC2)n1,QUEGRFHUXLOBOG-UHFFFAOYSA-N
-rxn:4:221513:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4noc(-c5nnn6c5COC(c5ccc(OC)cc5)C6)n4)ccc3F)ccc2OC)CC1,UQFQKCCBQUAFEJ-UHFFFAOYSA-N
-rxn:4:221521:224022,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cn4)C3)n1)CCC2,BVFVNVBCSFGULW-UHFFFAOYSA-N
-rxn:4:221611:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Oc5ncc(F)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,DBHTXTBDFUHQHA-UHFFFAOYSA-N
-rxn:4:221702:222634,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,ZFYZTUQNEGXFIK-UHFFFAOYSA-N
-rxn:4:221732:223959,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CC5CN(c6nc7ccccc7n6C)CC5C4)c3)ccc2Cl)CC1,XYXOJAFMAWINFT-UHFFFAOYSA-N
-rxn:4:221832:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,BSKRHNPEPFEDEZ-UHFFFAOYSA-N
-rxn:4:221832:224662,CN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,LMBYWYSKAXJVAO-UHFFFAOYSA-N
-rxn:4:221836:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccn2)CC1,YSQWYCZLGCWLEB-UHFFFAOYSA-N
-rxn:4:221836:223997,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,ADAUPSXDRHKDME-UHFFFAOYSA-N
-rxn:4:221836:224782,CN1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc(F)c2F)CC1,WHXCFTVHXWLUAX-UHFFFAOYSA-N
-rxn:4:221836:225313,CN1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)n2)CC1,NQIXZAFMHFSYKK-UHFFFAOYSA-N
-rxn:4:221849:222584,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,QURLJMQMDDEAIC-UHFFFAOYSA-N
-rxn:4:221918:222896,CC(C)c1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5ccc(CNC(=O)OC(C)(C)C)s5)cc4)C3)nn2)n1,DDWGZWHSEQYISR-UHFFFAOYSA-N
-rxn:4:221965:222394,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N[C@H]6CC[C@H](O)CC6)cc5)cc4)CC3)nn2)CC1,DHXIIEQPKYMCMG-WXUXXXNLSA-N
-rxn:4:221965:222397,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCc6c[nH]cn6)cc5)cc4)CC3)nn2)CC1,AKJAZBDQXWHQFC-UHFFFAOYSA-N
-rxn:4:221965:222409,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(S(N)(=O)=O)c5)cc4)CC3)nn2)CC1,JHMVVLWPYRWAJK-UHFFFAOYSA-N
-rxn:4:221965:222413,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(N)(=O)=O)cc5C)cc4)CC3)nn2)CC1,PHGIIMSTDARTLV-UHFFFAOYSA-N
-rxn:4:221965:222414,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)ccc5S(N)(=O)=O)cc4)CC3)nn2)CC1,DUYYEOUTDHWRHA-UHFFFAOYSA-N
-rxn:4:221965:222417,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(=O)[nH]c5C(C)C)cc4)CC3)nn2)CC1,KIINBWXWGLRLQW-UHFFFAOYSA-N
-rxn:4:221965:222420,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5S(N)(=O)=O)cc4)CC3)nn2)CC1,IJCVAQDHYDSNCE-UHFFFAOYSA-N
-rxn:4:221965:222429,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(=O)c6ccc(F)cc6C(F)(F)F)cc5)cc4)CC3)nn2)CC1,OPMBEZWFRWXFDD-UHFFFAOYSA-N
-rxn:4:221965:222430,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)cc4)CC3)nn2)CC1,RYSMSKBXYUSAGZ-UHFFFAOYSA-N
-rxn:4:221965:222434,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6cccc(OC(F)(F)F)c6)cc5)cc4)CC3)nn2)CC1,QVAQPSNHUGAXHP-UHFFFAOYSA-N
-rxn:4:221965:222437,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)cc4)CC3)nn2)CC1,SBNVSJOMQJXZRR-UHFFFAOYSA-N
-rxn:4:221965:222448,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)NCc6ccccc6)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,BYGGSJOLMRTEKQ-UHFFFAOYSA-N
-rxn:4:221965:222451,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NCc6ccc(OC)cc6)cc5)cc4)CC3)nn2)CC1,UOYIDXRELVIAHM-UHFFFAOYSA-N
-rxn:4:221965:222456,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)c6ccc(C(F)(F)F)cc6)c5)cc4)CC3)nn2)CC1,KDRMIUJBCXKAAF-UHFFFAOYSA-N
-rxn:4:221965:222457,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)cc4)CC3)nn2)CC1,AVXOTEHPVOLRNP-UHFFFAOYSA-N
-rxn:4:221965:222462,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)CC3)nn2)CC1,KGRUDXQALNUVDZ-UHFFFAOYSA-N
-rxn:4:221965:222475,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NCc6ccc(C)cc6)c5)cc4)CC3)nn2)CC1,OTJIYDAEQQQOCP-UHFFFAOYSA-N
-rxn:4:221965:222476,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)NCc6cccc(C)c6)c5)cc4)CC3)nn2)CC1,JGZJWMYLXUQCTG-UHFFFAOYSA-N
-rxn:4:221965:222482,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(C)cc6C)c(F)c5)cc4)CC3)nn2)CC1,IBTXZVSYOHZMNK-UHFFFAOYSA-N
-rxn:4:221965:222488,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(NC(=O)OCc6ccccc6)cnc5C)cc4)CC3)nn2)CC1,RQCBEYBKCOWWBB-UHFFFAOYSA-N
-rxn:4:221965:222489,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(NCc6ccc(OC)cc6OC)c5)cc4)CC3)nn2)CC1,CNJKMDWYYYAXHS-UHFFFAOYSA-N
-rxn:4:221965:222491,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(NC(=O)OCc6ccccc6)ccc5F)cc4)CC3)nn2)CC1,QARAAQBMKKWJAQ-UHFFFAOYSA-N
-rxn:4:221965:222492,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)OCc6ccccc6)c(F)c5)cc4)CC3)nn2)CC1,RXOHPALEJROOBW-UHFFFAOYSA-N
-rxn:4:221965:222494,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)OCc6ccccc6)cc5F)cc4)CC3)nn2)CC1,VUSGEKNDTMZPHH-UHFFFAOYSA-N
-rxn:4:221965:222495,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)OCc6ccccc6)c5F)cc4)CC3)nn2)CC1,XMKUAASWFZZEIO-UHFFFAOYSA-N
-rxn:4:221965:222497,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)OCc6ccccc6)c(Cl)c5)cc4)CC3)nn2)CC1,GWVCNLFFFCNVIV-UHFFFAOYSA-N
-rxn:4:221965:222522,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCC(O)CC6)c5)cc4)CC3)nn2)CC1,RDFJTLHCQXUCEW-UHFFFAOYSA-N
-rxn:4:221965:222533,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6cc(C)ccc6C)cc5)cc4)CC3)nn2)CC1,ZOHFLXCHINWUHR-UHFFFAOYSA-N
-rxn:4:221965:222541,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCCC6)cc5)cc4)CC3)nn2)CC1,FNDOKPPOEHXOGR-UHFFFAOYSA-N
-rxn:4:221965:222547,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6ccc(C#N)cc6)c5)cc4)CC3)nn2)CC1,DFXADQJBKOJQJR-UHFFFAOYSA-N
-rxn:4:221965:222550,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NCc6ccccc6)c5)cc4)CC3)nn2)CC1,RTUCKYIVWGTVHX-UHFFFAOYSA-N
-rxn:4:221965:222554,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCc6ccccc6)c(Cl)c5)cc4)CC3)nn2)CC1,JLDBJHPYBYEBQF-UHFFFAOYSA-N
-rxn:4:221965:222555,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(OC)cc6)cc5)cc4)CC3)nn2)CC1,RAGSSLDVISHAJP-UHFFFAOYSA-N
-rxn:4:221965:222557,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6cccc(OC)c6)c5)cc4)CC3)nn2)CC1,RXPOEKNKAVQDAS-UHFFFAOYSA-N
-rxn:4:221965:222559,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccccc6OC)cc5)cc4)CC3)nn2)CC1,UHVVKNCKGPJNRD-UHFFFAOYSA-N
-rxn:4:221965:222564,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCc6ccc(Cl)cc6)c5)cc4)CC3)nn2)CC1,LSWRLJAMNAWSHQ-UHFFFAOYSA-N
-rxn:4:221965:222567,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCc6ccccc6Cl)cc5)cc4)CC3)nn2)CC1,UOOUSOGLQFDOSC-UHFFFAOYSA-N
-rxn:4:221965:222570,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCc6ccc(F)cc6)cc5)cc4)CC3)nn2)CC1,YKOLDFIEEJIYMR-UHFFFAOYSA-N
-rxn:4:221965:222571,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCc6ccccc6)cc5Cl)cc4)CC3)nn2)CC1,KWKICYBJSRSZOT-UHFFFAOYSA-N
-rxn:4:221965:222579,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)Nc6ccccc6C)c5)cc4)CC3)nn2)CC1,SPVYNGOQVCQKRA-UHFFFAOYSA-N
-rxn:4:221965:222584,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4)CC3)nn2)CC1,KGBOGLZOWLTRFQ-UHFFFAOYSA-N
-rxn:4:221965:222589,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC(O)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,AAXLFXAHMCZMAK-UHFFFAOYSA-N
-rxn:4:221965:222590,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NCc6ccccc6)cc5)cc4)CC3)nn2)CC1,ZKUQUZBZPAFDJK-UHFFFAOYSA-N
-rxn:4:221965:222591,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)NCc6ccccc6)c5)cc4)CC3)nn2)CC1,DBUPWQDCGMJBGC-UHFFFAOYSA-N
-rxn:4:221965:222592,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)Nc6ccc(C)cc6)cc5)cc4)CC3)nn2)CC1,HRWVEFSNNPNDAR-UHFFFAOYSA-N
-rxn:4:221965:222603,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(NC(=O)OC(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,RRIPRYKNYKNGAK-UHFFFAOYSA-N
-rxn:4:221965:222610,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,PNZVDCKGGSDKND-UHFFFAOYSA-N
-rxn:4:221965:222615,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CC(C)C)cc(C6CCNCC6)c5)cc4)CC3)nn2)CC1,ZFYVJQVEMRXBBX-UHFFFAOYSA-N
-rxn:4:221965:222616,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,INWZNQJTBFZBLD-UHFFFAOYSA-N
-rxn:4:221965:222617,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCc6ccccc6)c5)cc4)CC3)nn2)CC1,ZBDKYIAFOKIBBG-UHFFFAOYSA-N
-rxn:4:221965:222619,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(=O)C6CCCCC6)cc5)cc4)CC3)nn2)CC1,FLKHQRWXFSYQEE-UHFFFAOYSA-N
-rxn:4:221965:222621,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CC(C)C)nc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,IHUHRDFGIHHOSI-UHFFFAOYSA-N
-rxn:4:221965:222625,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6ccc(C)cc6)c5)cc4)CC3)nn2)CC1,NNIJLWYFUYWKEE-UHFFFAOYSA-N
-rxn:4:221965:222629,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCNC6)nc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,WOUFMVZAVPMFNJ-UHFFFAOYSA-N
-rxn:4:221965:222641,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCc6ccccn6)c5)cc4)CC3)nn2)CC1,MISNRKMBBFDAGQ-UHFFFAOYSA-N
-rxn:4:221965:222644,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCc6ccccn6)cc5)cc4)CC3)nn2)CC1,YWAGFYBUBXGGPH-UHFFFAOYSA-N
-rxn:4:221965:222652,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(Cl)cc6)cc5)cc4)CC3)nn2)CC1,GTDJXEFBDCILKJ-UHFFFAOYSA-N
-rxn:4:221965:222668,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6ccccc6Cl)cc5)cc4)CC3)nn2)CC1,SPCQVHONVJGMSO-UHFFFAOYSA-N
-rxn:4:221965:222671,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6cccc(Cl)c6)cc5)cc4)CC3)nn2)CC1,ODHVLMCKTCEFJM-UHFFFAOYSA-N
-rxn:4:221965:222683,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(NCc6ccc(OC)cc6)nc5)cc4)CC3)nn2)CC1,GFACRSDYRZLCNQ-UHFFFAOYSA-N
-rxn:4:221965:222696,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCC(O)CC6)c5)cc4)CC3)nn2)CC1,AIAJXTZVARMGJR-UHFFFAOYSA-N
-rxn:4:221965:222703,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)c(C6CCNCC6)c5)cc4)CC3)nn2)CC1,BBZFPUOHYPPWGK-UHFFFAOYSA-N
-rxn:4:221965:222704,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,MKLMSJPPCBGACL-UHFFFAOYSA-N
-rxn:4:221965:222708,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NC(=O)CC(C)C)cc5)cc4)CC3)nn2)CC1,RQDXGIYXORAKOZ-UHFFFAOYSA-N
-rxn:4:221965:222715,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c5)cc4)CC3)nn2)CC1,HQTNVJDVVUHXII-UHFFFAOYSA-N
-rxn:4:221965:222722,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC(O)CC6)c5)cc4)CC3)nn2)CC1,BWBGYHSACFZVSK-UHFFFAOYSA-N
-rxn:4:221965:222735,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NC6CCCCC6)c5)cc4)CC3)nn2)CC1,NGEPEEKLVJECNP-UHFFFAOYSA-N
-rxn:4:221965:222742,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CC6)c5)cc4)CC3)nn2)CC1,OJCICFHSPINOMX-UHFFFAOYSA-N
-rxn:4:221965:222746,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(=O)OC(C)(C)C)cc5)cc4)CC3)nn2)CC1,ISALVVPHTZSEHW-UHFFFAOYSA-N
-rxn:4:221965:222776,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCC(O)CC6)cc5F)cc4)CC3)nn2)CC1,WAJIDLANFMBCEM-UHFFFAOYSA-N
-rxn:4:221965:222792,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(NC(=O)OC(C)(C)C)ccc5F)cc4)CC3)nn2)CC1,GFTIONPSILAJMX-UHFFFAOYSA-N
-rxn:4:221965:222806,CCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc([N+](=O)[O-])c1,JGEGIYDTCNTNJQ-UHFFFAOYSA-N
-rxn:4:221965:222838,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(=O)C(C)(C)C)cc5)cc4)CC3)nn2)CC1,PKTCQFZVXQSILX-UHFFFAOYSA-N
-rxn:4:221965:222839,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NCC6CCCCC6)nc5)cc4)CC3)nn2)CC1,DWDNTZWHGLYMMB-UHFFFAOYSA-N
-rxn:4:221965:222844,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)C6CCCC6)c5)cc4)CC3)nn2)CC1,REOUHHUCTRFXIA-UHFFFAOYSA-N
-rxn:4:221965:222845,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)N6CCNCC6)cc5)cc4)CC3)nn2)CC1,PFGLQWDQWHHHJS-UHFFFAOYSA-N
-rxn:4:221965:222848,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C2CCCNC2)n1,XJJVKELOXJUGGP-UHFFFAOYSA-N
-rxn:4:221965:222849,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)c(C#N)c5)cc4)CC3)nn2)CC1,IYSJFEQKNIZSJR-UHFFFAOYSA-N
-rxn:4:221965:222850,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)ccc5C#N)cc4)CC3)nn2)CC1,SMXPGXKQMSJQHK-UHFFFAOYSA-N
-rxn:4:221965:222858,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN(C)C)c5)cc4)CC3)nn2)CC1,UEDWBLBLIOOWAI-UHFFFAOYSA-N
-rxn:4:221965:222869,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NCC(C)C)c5)cc4)CC3)nn2)CC1,BFVLQUVDBXLFDH-UHFFFAOYSA-N
-rxn:4:221965:222883,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NC(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,PQXMNAHCYNMXSP-UHFFFAOYSA-N
-rxn:4:221965:222889,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(CN6CCNCC6)c5)cc4)CC3)nn2)CC1,OPCLRGGRNMJQSP-UHFFFAOYSA-N
-rxn:4:221965:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)ccc12,MZQJGGOWHLMMFE-UHFFFAOYSA-N
-rxn:4:221965:222903,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCOC)cc5Cl)cc4)CC3)nn2)CC1,OUJRDPXHVKGPHS-UHFFFAOYSA-N
-rxn:4:221965:222918,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)cc4)CC3)nn2)CC1,PVABUSNNEMSJMQ-UHFFFAOYSA-N
-rxn:4:221965:222920,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NC6CC6)cc5C)cc4)CC3)nn2)CC1,YSNXKBRDNVCGGS-UHFFFAOYSA-N
-rxn:4:221965:222929,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(N6CCC(O)CC6)c5)cc4)CC3)nn2)CC1,RDOPWRIVZBXCQN-UHFFFAOYSA-N
-rxn:4:221965:222935,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)cc4)CC3)nn2)CC1,AJOUSAYNUHTELJ-UHFFFAOYSA-N
-rxn:4:221965:222938,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCC(F)(F)F)c5)cc4)CC3)nn2)CC1,RCAMVLXLCCCABN-UHFFFAOYSA-N
-rxn:4:221965:222942,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NC6CC6)c(F)c5)cc4)CC3)nn2)CC1,DKPWNTLCEZFJGD-UHFFFAOYSA-N
-rxn:4:221965:222947,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC(O)C6)nc5Cl)cc4)CC3)nn2)CC1,FDGBTPZRJDXRBS-UHFFFAOYSA-N
-rxn:4:221965:222952,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)C(F)(F)F)c5F)cc4)CC3)nn2)CC1,KSVXSKWRFZELQB-UHFFFAOYSA-N
-rxn:4:221965:222959,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)c(C)c5)cc4)CC3)nn2)CC1,KHGFZAHOLACEKB-UHFFFAOYSA-N
-rxn:4:221965:222971,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)C(C)(C)C)cc5)cc4)CC3)nn2)CC1,YXWBDPKIEATQGE-UHFFFAOYSA-N
-rxn:4:221965:222980,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCNCC6)cc5)cc4)CC3)nn2)CC1,BXFOOTPGSAZJCI-UHFFFAOYSA-N
-rxn:4:221965:222981,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(NC6CCCCC6)c5)cc4)CC3)nn2)CC1,CUQXGDVIHSKGIW-UHFFFAOYSA-N
-rxn:4:221965:222986,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)nc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,YEKWZEPXRCUETG-UHFFFAOYSA-N
-rxn:4:221965:222990,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCC(O)CC6)cc5)cc4)CC3)nn2)CC1,YBPMCTITTBFXBR-UHFFFAOYSA-N
-rxn:4:221965:222992,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6O)cc5)cc4)CC3)nn2)CC1,WZLLNRKKXJIEJB-UHFFFAOYSA-N
-rxn:4:221965:222993,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCCCC6O)c5)cc4)CC3)nn2)CC1,WDZBFGHHWFTMAI-UHFFFAOYSA-N
-rxn:4:221965:222994,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCC(O)CC6)c5)cc4)CC3)nn2)CC1,UOZUFYRDHSWWJV-UHFFFAOYSA-N
-rxn:4:221965:223000,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCCNC6)c(F)c5)cc4)CC3)nn2)CC1,KPZDWRBPFAUOIN-UHFFFAOYSA-N
-rxn:4:221965:223004,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)c(F)c5)cc4)CC3)nn2)CC1,HWRGRJNGOQRYGU-UHFFFAOYSA-N
-rxn:4:221965:223007,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C6CCNCC6)c5)cc4)CC3)nn2)CC1,DZKHUFHXOGHBER-UHFFFAOYSA-N
-rxn:4:221965:223008,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)ccc5F)cc4)CC3)nn2)CC1,GYEYGRMOITZQTL-UHFFFAOYSA-N
-rxn:4:221965:223013,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6ccc(C(=O)OC)cc6[nH]5)cc4)CC3)nn2)CC1,YLIDVRGONNJLCI-UHFFFAOYSA-N
-rxn:4:221965:223014,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6c(C(=O)OC)cccc6[nH]5)cc4)CC3)nn2)CC1,VNKFNVJDBFSBFF-UHFFFAOYSA-N
-rxn:4:221965:223015,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cc(C(=O)OC)ccc6[nH]5)cc4)CC3)nn2)CC1,DFHYXJPQCQIRST-UHFFFAOYSA-N
-rxn:4:221965:223016,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)c6cc[nH]c6c5)cc4)CC3)nn2)CC1,JILUSVFSCTWIRU-UHFFFAOYSA-N
-rxn:4:221965:223017,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cccc(C(=O)OC)c6[nH]5)cc4)CC3)nn2)CC1,IQXZIASEQGQVIU-UHFFFAOYSA-N
-rxn:4:221965:223019,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCC#N)c5)cc4)CC3)nn2)CC1,SWENXEGBOZJDOO-UHFFFAOYSA-N
-rxn:4:221965:223020,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCC#N)cc5)cc4)CC3)nn2)CC1,JJTQRQQQASNHCO-UHFFFAOYSA-N
-rxn:4:221965:223021,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCOC)c5)cc4)CC3)nn2)CC1,UVTXOCYNQYCQEM-UHFFFAOYSA-N
-rxn:4:221965:223023,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(=O)N(C)C)cc5)cc4)CC3)nn2)CC1,KUEFUFHGCZCLRF-UHFFFAOYSA-N
-rxn:4:221965:223024,CCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,QDSKLFXJQPULTL-UHFFFAOYSA-N
-rxn:4:221965:223029,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)OC(C)C)cc5)cc4)CC3)nn2)CC1,YFVQVXGRCHWKFF-UHFFFAOYSA-N
-rxn:4:221965:223043,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NC6CC6)c(Cl)c5)cc4)CC3)nn2)CC1,VUPCITLDKRSLKX-UHFFFAOYSA-N
-rxn:4:221965:223048,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NC6CC6)c5F)cc4)CC3)nn2)CC1,CWUZAODKSJUUIB-UHFFFAOYSA-N
-rxn:4:221965:223054,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)N6CCC(O)C6)s5)cc4)CC3)nn2)CC1,OAQIOCWFKRPHJZ-UHFFFAOYSA-N
-rxn:4:221965:223059,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)cc5Cl)cc4)CC3)nn2)CC1,FHJLSXBFSIRFHU-UHFFFAOYSA-N
-rxn:4:221965:223060,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)nc(C6CCNCC6)c5)cc4)CC3)nn2)CC1,RHIUORNSLJUOJX-UHFFFAOYSA-N
-rxn:4:221965:223083,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(O)C6)nc5C)cc4)CC3)nn2)CC1,FWYLCOFRWIZUTM-UHFFFAOYSA-N
-rxn:4:221965:223099,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)C(F)(F)F)c5)cc4)CC3)nn2)CC1,AADMJJIKABGVDJ-UHFFFAOYSA-N
-rxn:4:221965:223106,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(O)C6)nc5Cl)cc4)CC3)nn2)CC1,HKHPOQMJKKZFBC-UHFFFAOYSA-N
-rxn:4:221965:223114,CCCNC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,VPYDOPAQAYOUNS-UHFFFAOYSA-N
-rxn:4:221965:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,CQGISTORMHSRTP-UHFFFAOYSA-N
-rxn:4:221965:223126,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(NC(=O)C6CC6)c5)cc4)CC3)nn2)CC1,LYXYHXNGQJECED-UHFFFAOYSA-N
-rxn:4:221965:223132,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCNCC6)c5)cc4)CC3)nn2)CC1,QHNLKZQYZUUIMZ-UHFFFAOYSA-N
-rxn:4:221965:223137,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,BRGLWDPPDMQFPY-UHFFFAOYSA-N
-rxn:4:221965:223138,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C6CCNCC6)c5)cc4)CC3)nn2)CC1,VFCCWBXICPUIGN-UHFFFAOYSA-N
-rxn:4:221965:223139,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)nc5)cc4)CC3)nn2)CC1,AXZPQDDWRVZBNH-UHFFFAOYSA-N
-rxn:4:221965:223140,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,YEPSDYUNKLXDBI-UHFFFAOYSA-N
-rxn:4:221965:223146,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6CNCCO6)c5)cc4)CC3)nn2)CC1,AWNCOCPHXAGJPY-UHFFFAOYSA-N
-rxn:4:221965:223147,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CNCCO6)cc5)cc4)CC3)nn2)CC1,AJRIREFBLXRHCG-UHFFFAOYSA-N
-rxn:4:221965:223151,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCC#N)cc5)cc4)CC3)nn2)CC1,DJYWMRLVCKTNNS-UHFFFAOYSA-N
-rxn:4:221965:223154,CCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,YBULDUQXKFABEA-UHFFFAOYSA-N
-rxn:4:221965:223159,CCNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,FSHFKTGVWFXSIP-UHFFFAOYSA-N
-rxn:4:221965:223165,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(C)=O)c(C)c5Cl)cc4)CC3)nn2)CC1,LKJPYNULFCUQRF-UHFFFAOYSA-N
-rxn:4:221965:223166,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)nc5)cc4)CC3)nn2)CC1,GJPKVNGQPZMRAN-UHFFFAOYSA-N
-rxn:4:221965:223169,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCNCC6)nc5)cc4)CC3)nn2)CC1,FYBZAUQKFXIQBA-UHFFFAOYSA-N
-rxn:4:221965:223170,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCNC6)nc5)cc4)CC3)nn2)CC1,LOARULNPMUUBFZ-UHFFFAOYSA-N
-rxn:4:221965:223184,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCNCC6)nc5)cc4)CC3)nn2)CC1,QKMJEZCSICZESE-UHFFFAOYSA-N
-rxn:4:221965:223191,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)NC)c(F)c5)cc4)CC3)nn2)CC1,ZAIOCUMPKXZTJF-UHFFFAOYSA-N
-rxn:4:221965:223195,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC(C)C)cc5)cc4)CC3)nn2)CC1,DCQBHVVHTZMBGA-UHFFFAOYSA-N
-rxn:4:221965:223197,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNC6CC6)cc5)cc4)CC3)nn2)CC1,DIORNPAXQNHMQE-UHFFFAOYSA-N
-rxn:4:221965:223200,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNC6)cc5)cc4)CC3)nn2)CC1,RDBOVFNJJXUMIB-UHFFFAOYSA-N
-rxn:4:221965:223214,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCNC6=O)cc4)CC3)nn2)CC1,OSOIAZGFFCUBLS-UHFFFAOYSA-N
-rxn:4:221965:223218,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5C)NCCO6)cc4)CC3)nn2)CC1,XUGCRKVJIGTTKT-UHFFFAOYSA-N
-rxn:4:221965:223224,CCNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,KNRROKDHQGMDFT-UHFFFAOYSA-N
-rxn:4:221965:223226,CCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,VDEVGVGZBFWFIK-UHFFFAOYSA-N
-rxn:4:221965:223242,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C6CCNC6)c5)cc4)CC3)nn2)CC1,GAAZGUUOHCNTAF-UHFFFAOYSA-N
-rxn:4:221965:223253,CCCCNc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cn1,HJWOLLXVQSOFCL-UHFFFAOYSA-N
-rxn:4:221965:223257,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NOC)cc5)cc4)CC3)nn2)CC1,RFYWULZNYBMRMD-UHFFFAOYSA-N
-rxn:4:221965:223267,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NC)c(F)c5)cc4)CC3)nn2)CC1,JXUCSVQGNNKSLM-UHFFFAOYSA-N
-rxn:4:221965:223271,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(NC(C)=O)c5)cc4)CC3)nn2)CC1,LWSKTCUTGRHBKK-UHFFFAOYSA-N
-rxn:4:221965:223279,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)cc4)CC3)nn2)CC1,GSFBNPIHIAUIJL-UHFFFAOYSA-N
-rxn:4:221965:223280,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCNC6)nc5)cc4)CC3)nn2)CC1,WCKUKPDQODXIHT-UHFFFAOYSA-N
-rxn:4:221965:223288,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)NC)c5)cc4)CC3)nn2)CC1,PNXVSSZMTONHIO-UHFFFAOYSA-N
-rxn:4:221965:223294,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5csc(N6CCNCC6)n5)cc4)CC3)nn2)CC1,LNFDANLQNNGYAS-UHFFFAOYSA-N
-rxn:4:221965:223309,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(C)C)cc5)cc4)CC3)nn2)CC1,AZMFUANQRUMUBG-UHFFFAOYSA-N
-rxn:4:221965:223310,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC6CC6)cc5)cc4)CC3)nn2)CC1,WOOACHWNEPBUGW-UHFFFAOYSA-N
-rxn:4:221965:223312,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CNC6)cc5)cc4)CC3)nn2)CC1,WPGFWWFJYBSTCV-UHFFFAOYSA-N
-rxn:4:221965:223313,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(O)CC6)cc5)cc4)CC3)nn2)CC1,VXXWKBUSLNUDSM-UHFFFAOYSA-N
-rxn:4:221965:223348,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)C(=O)NC6)cc4)CC3)nn2)CC1,VONRLTUYGTZIMV-UHFFFAOYSA-N
-rxn:4:221965:223350,CCNCc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,ZGOCITGHTPZEPM-UHFFFAOYSA-N
-rxn:4:221965:223352,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(C)C)nc5)cc4)CC3)nn2)CC1,ZXPVBWGASXQWQE-UHFFFAOYSA-N
-rxn:4:221965:223362,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(/C(C)=N/O)cc5)cc4)CC3)nn2)CC1,CCDLWUPMCQLRDY-WEMUVCOSSA-N
-rxn:4:221965:223381,CCCNc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cn1,YUKPLFBBXKRMON-UHFFFAOYSA-N
-rxn:4:221965:223384,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NC)nc5)cc4)CC3)nn2)CC1,LIORGLCUABLTOH-UHFFFAOYSA-N
-rxn:4:221965:223385,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C=NO)ccc5Cl)cc4)CC3)nn2)CC1,XFSDHFVRJMCZFR-UHFFFAOYSA-N
-rxn:4:221965:223386,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(/C=N/O)ccc5Cl)cc4)CC3)nn2)CC1,XFSDHFVRJMCZFR-TWKHWXDSSA-N
-rxn:4:221965:223474,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)CC3)nn2)CC1,LZNCFQUQGWCYNW-UHFFFAOYSA-N
-rxn:4:221965:223496,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(N(Cc6ccccc6)Cc6ccccc6)c5)cc4)CC3)nn2)CC1,GTIMAPPZRWLLBJ-UHFFFAOYSA-N
-rxn:4:221965:223499,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)CC3)nn2)CC1,RQUAHSMTXZGFKD-UHFFFAOYSA-N
-rxn:4:221965:223504,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,MFLHPIODYNURIE-UHFFFAOYSA-N
-rxn:4:221965:223563,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OCc6cc(OC)cc(OC)c6)c(C)c5)cc4)CC3)nn2)CC1,NAJZSZWLRXUEDC-UHFFFAOYSA-N
-rxn:4:221965:223571,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6C(=O)c7ccccc7C6=O)cc5)cc4)CC3)nn2)CC1,UVUCHHOPQWACKG-UHFFFAOYSA-N
-rxn:4:221965:223592,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5Cl)cc4)CC3)nn2)CC1,BUZHBOITVHQMCN-UHFFFAOYSA-N
-rxn:4:221965:223600,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ncc(Cl)cc56)cc4)CC3)nn2)CC1,QJIDUYSFZMQXFW-UHFFFAOYSA-N
-rxn:4:221965:223601,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OCc6ccc(OC)cc6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,OSZNYBHMVGZADL-UHFFFAOYSA-N
-rxn:4:221965:223633,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(CC)Cc6ccccc6)cc5Cl)cc4)CC3)nn2)CC1,MPTSDCOQEHMSSA-UHFFFAOYSA-N
-rxn:4:221965:223639,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(Cc7ccccc7)CC6)nc5)cc4)CC3)nn2)CC1,PJBRAVPJTWJYAH-UHFFFAOYSA-N
-rxn:4:221965:223642,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ccccc56)cc4)CC3)nn2)CC1,MRMKVWQDPBABIE-UHFFFAOYSA-N
-rxn:4:221965:223647,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6cc(OC)cc(OC)c6)c(Cl)c5)cc4)CC3)nn2)CC1,ZXDUNLHHVAQRJG-UHFFFAOYSA-N
-rxn:4:221965:223651,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)C6)nc5C)cc4)CC3)nn2)CC1,FIVVHKYMAUUAJF-UHFFFAOYSA-N
-rxn:4:221965:223655,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ncccc56)cc4)CC3)nn2)CC1,HCNKPICBFXAJSC-UHFFFAOYSA-N
-rxn:4:221965:223662,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OCc6ccccc6)cc5[N+](=O)[O-])cc4)CC3)nn2)CC1,FHRRGTKNOVQUQA-UHFFFAOYSA-N
-rxn:4:221965:223668,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccccc6)cc5OC(F)(F)F)cc4)CC3)nn2)CC1,WUYHZAQJGVXMCW-UHFFFAOYSA-N
-rxn:4:221965:223675,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCc6ccccc6)c(C(F)(F)F)cc5Cl)cc4)CC3)nn2)CC1,VRKAZMVNVIHHCD-UHFFFAOYSA-N
-rxn:4:221965:223680,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(-c6cccc(C(F)(F)F)c6)cc5OC)cc4)CC3)nn2)CC1,XSQVNUQXRBLDJN-UHFFFAOYSA-N
-rxn:4:221965:223712,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)CC3)nn2)CC1,IDJAOYWGLJNDFH-UHFFFAOYSA-N
-rxn:4:221965:223725,CCCCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(F)c2)cc1,WPKNVLDPPHXUSD-UHFFFAOYSA-N
-rxn:4:221965:223735,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCc5ccc(C(C)(C)C)cc5)cc4)CC3)nn2)CC1,WRDVCEDGGOURTK-UHFFFAOYSA-N
-rxn:4:221965:223736,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccccc6)c(C(C)(C)C)c5)cc4)CC3)nn2)CC1,BYGHDWRKJWXPRJ-UHFFFAOYSA-N
-rxn:4:221965:223746,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#Cc6ccc(C(=O)OC)cc6)cc5)cc4)CC3)nn2)CC1,ROVOQHWKUYUFRP-UHFFFAOYSA-N
-rxn:4:221965:223752,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CN5C(=O)c6ccccc6C5=O)cc4)CC3)nn2)CC1,IEMOCMBANOHVAG-UHFFFAOYSA-N
-rxn:4:221965:223786,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCN(C)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,OHJMIUIPEISDTN-UHFFFAOYSA-N
-rxn:4:221965:223799,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)c(OCc6ccccc6)c5)cc4)CC3)nn2)CC1,GEHQYIJLFWTTCQ-UHFFFAOYSA-N
-rxn:4:221965:223801,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5OCc5ccccc5)cc4)CC3)nn2)CC1,AGTKSYJZVLTQQR-UHFFFAOYSA-N
-rxn:4:221965:223806,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(OCc6ccc(OC)cc6)c5F)cc4)CC3)nn2)CC1,YHUKINWJVNNSKD-UHFFFAOYSA-N
-rxn:4:221965:223810,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCC(C)CC6)c(C)c5)cc4)CC3)nn2)CC1,AHYNKVFQESENHQ-UHFFFAOYSA-N
-rxn:4:221965:223817,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CCN6C(=O)c7ccccc7C6=O)c5)cc4)CC3)nn2)CC1,QSCSGXZOTBYEBU-UHFFFAOYSA-N
-rxn:4:221965:223827,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)ccc5N5CCN(CC)CC5)cc4)CC3)nn2)CC1,RJMNVUGXXWAHHM-UHFFFAOYSA-N
-rxn:4:221965:223829,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5C)cc4)CC3)nn2)CC1,WXBAUZLUTQNHHF-UHFFFAOYSA-N
-rxn:4:221965:223832,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5OC)cc4)CC3)nn2)CC1,LBJVHFFAGNZTCB-UHFFFAOYSA-N
-rxn:4:221965:223838,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(S(=O)(=O)N(C)C)CC6)cc5)cc4)CC3)nn2)CC1,ACBLJUYIOTVBSR-UHFFFAOYSA-N
-rxn:4:221965:223841,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)CC3)nn2)CC1,DHDLLNIYFMNOCZ-UHFFFAOYSA-N
-rxn:4:221965:223846,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(C6CC7CCC6(C)C7(C)C)c5)cc4)CC3)nn2)CC1,DQGXBBNWLAFBBY-UHFFFAOYSA-N
-rxn:4:221965:223860,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CN5CCCc6ccccc65)cc4)CC3)nn2)CC1,PCWXAZWREOFDBB-UHFFFAOYSA-N
-rxn:4:221965:223876,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OCc6ccccc6Cl)c(C)c5)cc4)CC3)nn2)CC1,AOQXRYJFNWHRDT-UHFFFAOYSA-N
-rxn:4:221965:223877,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OCc6cccc(Cl)c6)c(C)c5)cc4)CC3)nn2)CC1,AQOAILWWHIIESO-UHFFFAOYSA-N
-rxn:4:221965:223879,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(F)c2F)cc1,GOLACFFYRMMVFY-UHFFFAOYSA-N
-rxn:4:221965:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c2)CC1,GQTVBOPZVHBKJD-UHFFFAOYSA-N
-rxn:4:221965:223900,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c5)cc4)CC3)nn2)CC1,KGPQDBXBRBOVPF-UHFFFAOYSA-N
-rxn:4:221965:223901,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC(C)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,ABKXQIFZZAGLKT-UHFFFAOYSA-N
-rxn:4:221965:223906,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SCc6ccc(OC)cc6)c(F)c5)cc4)CC3)nn2)CC1,CLWGWPZPRRNNEL-UHFFFAOYSA-N
-rxn:4:221965:223932,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6c(Cl)cccc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,ZKERTCYYNRFBQD-UHFFFAOYSA-N
-rxn:4:221965:223943,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(Cl)c(C)cc6c5cnn6C5CCCCO5)cc4)CC3)nn2)CC1,UIPSOFLRHFWLBB-UHFFFAOYSA-N
-rxn:4:221965:223952,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,RYTNRURXFJIXKV-UHFFFAOYSA-N
-rxn:4:221965:223953,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(N6CCN(CCOC)CC6)c5)cc4)CC3)nn2)CC1,AOASPRQOWIWPKG-UHFFFAOYSA-N
-rxn:4:221965:223955,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SCc6ccccc6[N+](=O)[O-])cc5)cc4)CC3)nn2)CC1,NDXPGRHJVPBSKC-UHFFFAOYSA-N
-rxn:4:221965:223965,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Oc6cccc(C(F)(F)F)c6)cc5)cc4)CC3)nn2)CC1,LCOPUKGBJLYBDM-UHFFFAOYSA-N
-rxn:4:221965:223967,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Oc6ccccc6)cc5C(F)(F)F)cc4)CC3)nn2)CC1,PXTXVEOYWOSPPL-UHFFFAOYSA-N
-rxn:4:221965:223970,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,BYCYDZKOXGXYHJ-UHFFFAOYSA-N
-rxn:4:221965:223979,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N6CCCCC6)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,PYOAVAAPHXJQPN-UHFFFAOYSA-N
-rxn:4:221965:223980,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCN(CC)CC6)c5)cc4)CC3)nn2)CC1,LAJNOPLAHUAQKT-UHFFFAOYSA-N
-rxn:4:221965:223981,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(CC)CC6)cc5)cc4)CC3)nn2)CC1,UBXRJZMVHKKNIK-UHFFFAOYSA-N
-rxn:4:221965:223992,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(C)CC6)c5)cc4)CC3)nn2)CC1,MIJVYCKFQJJXIZ-UHFFFAOYSA-N
-rxn:4:221965:223994,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cc4)CC3)nn2)CC1,JEORIPRMBXZRIK-UHFFFAOYSA-N
-rxn:4:221965:224008,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N6CCOCC6)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,DBHKHVOEAIFTBD-UHFFFAOYSA-N
-rxn:4:221965:224014,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(-c6cccc(C(F)(F)F)c6)nc5Cl)cc4)CC3)nn2)CC1,VSBLMPLQEUQUOD-UHFFFAOYSA-N
-rxn:4:221965:224015,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)c(C)cc5F)cc4)CC3)nn2)CC1,MBXYEYAUOYMTBH-UHFFFAOYSA-N
-rxn:4:221965:224039,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OCCC(C)C)ccc6ccccc56)cc4)CC3)nn2)CC1,ICIQKAVRWGECOJ-UHFFFAOYSA-N
-rxn:4:221965:224041,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CN5CCc6ccccc65)cc4)CC3)nn2)CC1,LRXPCBSKMMLTBQ-UHFFFAOYSA-N
-rxn:4:221965:224044,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCOCc6ccccc6)cc5)cc4)CC3)nn2)CC1,BLSBYJFWKLPSKU-UHFFFAOYSA-N
-rxn:4:221965:224047,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN(C)Cc6ccccc6)c5)cc4)CC3)nn2)CC1,JDJGHYGENBSDQL-UHFFFAOYSA-N
-rxn:4:221965:224052,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(F)c2)cc1,DHJZWXPGTGQJIK-UHFFFAOYSA-N
-rxn:4:221965:224053,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OCc6ccccc6)c(C)c5)cc4)CC3)nn2)CC1,LGIDUQCFUIYQQL-UHFFFAOYSA-N
-rxn:4:221965:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(F)c2)CC1,ZPNUFCHZKZNMEJ-UHFFFAOYSA-N
-rxn:4:221965:224062,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6cc(C)ccc6C)c5)cc4)CC3)nn2)CC1,XCNHPRGDPAPLMZ-UHFFFAOYSA-N
-rxn:4:221965:224066,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(-c6ccncc6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,OLGTXIVSOWTKEF-UHFFFAOYSA-N
-rxn:4:221965:224068,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(-c6ccc(C(C)(C)C)cc6)c5)cc4)CC3)nn2)CC1,NPXVAVSEVSAVST-UHFFFAOYSA-N
-rxn:4:221965:224069,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(-c6ccccn6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,VITXOOFDHOIQRP-UHFFFAOYSA-N
-rxn:4:221965:224078,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5ccn6[Si](C)(C)C(C)(C)C)cc4)CC3)nn2)CC1,JNMAADIIWODABP-UHFFFAOYSA-N
-rxn:4:221965:224080,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCCCC6)cc5)cc4)CC3)nn2)CC1,YNUPYBXCBNKHFV-UHFFFAOYSA-N
-rxn:4:221965:224091,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#N)cc5OCc5ccccc5)cc4)CC3)nn2)CC1,YONJKRMQBDSERK-UHFFFAOYSA-N
-rxn:4:221965:224094,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCc5cccc(C#N)c5)cc4)CC3)nn2)CC1,HHYPATXBRGPJTR-UHFFFAOYSA-N
-rxn:4:221965:224096,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCc5ccc(C#N)cc5)cc4)CC3)nn2)CC1,JXHLNCROKLBXDC-UHFFFAOYSA-N
-rxn:4:221965:224097,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCc6ccccc6)ccc5C#N)cc4)CC3)nn2)CC1,QIUBZCGNLAAFAY-UHFFFAOYSA-N
-rxn:4:221965:224099,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SCc6ccccc6C#N)cc5)cc4)CC3)nn2)CC1,KUBNBUNSRMYYNB-UHFFFAOYSA-N
-rxn:4:221965:224104,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccccc6)c(OC)c5)cc4)CC3)nn2)CC1,ZKYKJENVEYLGFA-UHFFFAOYSA-N
-rxn:4:221965:224105,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(OCc6ccccc6)c5)cc4)CC3)nn2)CC1,KYYRQONZTLDSOE-UHFFFAOYSA-N
-rxn:4:221965:224106,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6ccccc6OC)c5)cc4)CC3)nn2)CC1,KDGFLPFUHGSQAU-UHFFFAOYSA-N
-rxn:4:221965:224107,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccc(OC)cc6)cc5)cc4)CC3)nn2)CC1,IDWBWSVWDWFTDC-UHFFFAOYSA-N
-rxn:4:221965:224109,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6cccc(OC)c6)c5)cc4)CC3)nn2)CC1,SLSAROCMAHXLHG-UHFFFAOYSA-N
-rxn:4:221965:224110,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6ccc(OC)cc6)c5)cc4)CC3)nn2)CC1,SJRYWIRPEADEFP-UHFFFAOYSA-N
-rxn:4:221965:224118,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6ccccc6)c5OC)cc4)CC3)nn2)CC1,ZUPWFEDEXKCRNO-UHFFFAOYSA-N
-rxn:4:221965:224119,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCc6ccccc6)ccc5OC)cc4)CC3)nn2)CC1,HDVMZAFOLMWZOV-UHFFFAOYSA-N
-rxn:4:221965:224124,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)Cc6ccccc6)c(C)c5)cc4)CC3)nn2)CC1,IKBZTEPQIVHOPF-UHFFFAOYSA-N
-rxn:4:221965:224125,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C7CC7)CC6)cc5)cc4)CC3)nn2)CC1,HHRQQQJRDBCVCL-UHFFFAOYSA-N
-rxn:4:221965:224129,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N(C)C6CCCCC6)c5)cc4)CC3)nn2)CC1,KMTCFAUCJRJHOY-UHFFFAOYSA-N
-rxn:4:221965:224137,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccc(Cl)cc6)c(C)c5)cc4)CC3)nn2)CC1,CSWMUECFKWGLAA-UHFFFAOYSA-N
-rxn:4:221965:224143,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5-c5c(OC)cccc5OC)cc4)CC3)nn2)CC1,MHANEMKESJTNAE-UHFFFAOYSA-N
-rxn:4:221965:224147,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(F)cc5OCc5ccccc5)cc4)CC3)nn2)CC1,FPVRFQUPMJFSFI-UHFFFAOYSA-N
-rxn:4:221965:224160,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCN6C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,GCWDQRKYKAMODA-UHFFFAOYSA-N
-rxn:4:221965:224173,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCOc6ccncc6)cc5)cc4)CC3)nn2)CC1,MYYVQGURNCFJQT-UHFFFAOYSA-N
-rxn:4:221965:224182,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCOCC6)c(C)c5)cc4)CC3)nn2)CC1,QASHONXCWXQWQU-UHFFFAOYSA-N
-rxn:4:221965:224187,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCCCC6)cc5F)cc4)CC3)nn2)CC1,SPHKRVLWZAPYOR-UHFFFAOYSA-N
-rxn:4:221965:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)ccc2F)CC1,GCLDUGQUKGDXDT-UHFFFAOYSA-N
-rxn:4:221965:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2Cl)CC1,ZZVPUWBRNIEEOO-UHFFFAOYSA-N
-rxn:4:221965:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)ccc2Cl)CC1,PDUZTOUYSDESIS-UHFFFAOYSA-N
-rxn:4:221965:224197,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2F)CC1,PKIZRLCFMPGNOC-UHFFFAOYSA-N
-rxn:4:221965:224204,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc(OCc6ccccc6)cc5F)cc4)CC3)nn2)CC1,UVKHPPJHDVRZKM-UHFFFAOYSA-N
-rxn:4:221965:224209,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccc(F)cc6Cl)cc5)cc4)CC3)nn2)CC1,BFNUFUZGHSUAQR-UHFFFAOYSA-N
-rxn:4:221965:224211,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCc6cccc(F)c6F)c5)cc4)CC3)nn2)CC1,YLSPNILATCTRJJ-UHFFFAOYSA-N
-rxn:4:221965:224212,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5OCc5ccccc5F)cc4)CC3)nn2)CC1,JAQCMCHSNFBBKZ-UHFFFAOYSA-N
-rxn:4:221965:224214,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5OCc5ccc(Cl)cc5)cc4)CC3)nn2)CC1,WKUZONJKRUCEIX-UHFFFAOYSA-N
-rxn:4:221965:224215,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccccc6F)c(Cl)c5)cc4)CC3)nn2)CC1,CLCVDUCQCRTFBC-UHFFFAOYSA-N
-rxn:4:221965:224219,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)ccc(OCc6ccccc6)c5Cl)cc4)CC3)nn2)CC1,CBIADEIYVFMIIE-UHFFFAOYSA-N
-rxn:4:221965:224227,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OCc6ccccc6)cc5F)cc4)CC3)nn2)CC1,ZNKLHBIJLRIBJZ-UHFFFAOYSA-N
-rxn:4:221965:224231,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(Cl)c5OCc5ccccc5)cc4)CC3)nn2)CC1,FXJRSAIENVALIU-UHFFFAOYSA-N
-rxn:4:221965:224237,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCc5c(F)cccc5F)cc4)CC3)nn2)CC1,AGEXJRJLCSOSRR-UHFFFAOYSA-N
-rxn:4:221965:224241,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(COc6cccc(F)c6F)cc5)cc4)CC3)nn2)CC1,DQRIRXOQZQDNOF-UHFFFAOYSA-N
-rxn:4:221965:224249,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N6CCCC(C)C6)ccc5F)cc4)CC3)nn2)CC1,FRCLGSYKHGBODO-UHFFFAOYSA-N
-rxn:4:221965:224253,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCCCC6C)c5)cc4)CC3)nn2)CC1,FWMCBZHYQRGWSR-UHFFFAOYSA-N
-rxn:4:221965:224254,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCCC(C)C6)c5)cc4)CC3)nn2)CC1,DYGOYXBKGVJCOK-UHFFFAOYSA-N
-rxn:4:221965:224258,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCCCC6C)cc5Cl)cc4)CC3)nn2)CC1,GLXKJQIMFQJBQR-UHFFFAOYSA-N
-rxn:4:221965:224269,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(C(=O)OC(C)(C)C)c6cnccc56)cc4)CC3)nn2)CC1,SLUNBISGYXCJEY-UHFFFAOYSA-N
-rxn:4:221965:224272,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6ccncc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,FYQPZYBNVKHGFG-UHFFFAOYSA-N
-rxn:4:221965:224278,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc6c(ccn6C(=O)OC(C)(C)C)c5)cc4)CC3)nn2)CC1,AYFKSMYXQTYYNT-UHFFFAOYSA-N
-rxn:4:221965:224286,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCOCC6)c(Cl)c5)cc4)CC3)nn2)CC1,LKRKZWKIFWLWCW-UHFFFAOYSA-N
-rxn:4:221965:224297,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])ccc5Sc5ccccc5)cc4)CC3)nn2)CC1,JAGCCTGOXPOLKI-UHFFFAOYSA-N
-rxn:4:221965:224321,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,WMPAAMBHANCZDG-UHFFFAOYSA-N
-rxn:4:221965:224326,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)c(C)c5)cc4)CC3)nn2)CC1,KWMQFIZKXWBHOQ-UHFFFAOYSA-N
-rxn:4:221965:224327,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4)CC3)nn2)CC1,OQHSABSLMVLPIV-UHFFFAOYSA-N
-rxn:4:221965:224333,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(-c6cc(C(F)(F)F)ccn6)c5)cc4)CC3)nn2)CC1,VGABTYNWUUEWEG-UHFFFAOYSA-N
-rxn:4:221965:224339,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(-c6cccc(C(F)(F)F)c6)c5)cc4)CC3)nn2)CC1,YNRCOXAVCJXMQH-UHFFFAOYSA-N
-rxn:4:221965:224348,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6cccc(C(F)(F)F)c6)nc5)cc4)CC3)nn2)CC1,BGTQEYGGMFNDDF-UHFFFAOYSA-N
-rxn:4:221965:224354,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(Oc6cccc(F)c6)c(F)c5)cc4)CC3)nn2)CC1,BDFSMAHCHKMLFX-UHFFFAOYSA-N
-rxn:4:221965:224376,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCN(C)CC6)c5)cc4)CC3)nn2)CC1,PJELSAXGEZXQCG-UHFFFAOYSA-N
-rxn:4:221965:224377,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,JJQQMSUHUVRGIU-UHFFFAOYSA-N
-rxn:4:221965:224382,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-n6ccc(C)n6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,XEKSYPBBCZBMMU-UHFFFAOYSA-N
-rxn:4:221965:224386,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(-c6cccc(C(F)(F)F)c6)nc5)cc4)CC3)nn2)CC1,KXJKXAHLCFYFLV-UHFFFAOYSA-N
-rxn:4:221965:224387,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-n6cnc(C)c6)cc5C(F)(F)F)cc4)CC3)nn2)CC1,RXIVPCGHQCJKLL-UHFFFAOYSA-N
-rxn:4:221965:224388,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-n6ccnc6C)cc5C(F)(F)F)cc4)CC3)nn2)CC1,ZMZWRCKVQYRGJS-UHFFFAOYSA-N
-rxn:4:221965:224390,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(-c6ccc(C(F)(F)F)cc6)nc5)cc4)CC3)nn2)CC1,HAVARKAVCSYZNB-UHFFFAOYSA-N
-rxn:4:221965:224414,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)F)nc5)cc4)CC3)nn2)CC1,XRCWLLXFIZLVLP-UHFFFAOYSA-N
-rxn:4:221965:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,UDLPOUPMEYGYKR-OGESRWMOSA-N
-rxn:4:221965:224469,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(-c6ccco6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,HBLIPCSPUKYJDK-UHFFFAOYSA-N
-rxn:4:221965:224490,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCCN5CCCCC5)cc4)CC3)nn2)CC1,WUHLPESFGRGHIT-UHFFFAOYSA-N
-rxn:4:221965:224496,CCN1CCN(Cc2cccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c2)CC1,AJTSRJNHYBWOMN-UHFFFAOYSA-N
-rxn:4:221965:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,AIYVUOYZFPIMLD-UHFFFAOYSA-N
-rxn:4:221965:224571,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(C)C)CC6)cc5)cc4)CC3)nn2)CC1,KMEWQOOKBNQZKD-UHFFFAOYSA-N
-rxn:4:221965:224582,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCN(C7CC7)CC6)c5)cc4)CC3)nn2)CC1,PQZVSRZJZKBDRN-UHFFFAOYSA-N
-rxn:4:221965:224584,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,SGTGFUKFCBUGIT-UHFFFAOYSA-N
-rxn:4:221965:224589,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)cc5CN5CCC(C)CC5)cc4)CC3)nn2)CC1,LCSPPTHBUJIKDL-UHFFFAOYSA-N
-rxn:4:221965:224597,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(N6CCOCC6)c5)cc4)CC3)nn2)CC1,WEVQMDWQYQBLDC-UHFFFAOYSA-N
-rxn:4:221965:224604,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6nc(C)n(C(C)(C)C)c6cc5F)cc4)CC3)nn2)CC1,PJCRJSFSUULLSY-UHFFFAOYSA-N
-rxn:4:221965:224607,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OCC[Si](C)(C)C)cc5)cc4)CC3)nn2)CC1,CJLVCQILYKDJJT-UHFFFAOYSA-N
-rxn:4:221965:224610,CCCCc1nc(-c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)no1,FTVIZFJSIICNFB-UHFFFAOYSA-N
-rxn:4:221965:224611,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(-c6cnn(CCOC)c6)c5)cc4)CC3)nn2)CC1,CHNZCYBKXSJQQI-UHFFFAOYSA-N
-rxn:4:221965:224615,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCN6CCOCC6)c5)cc4)CC3)nn2)CC1,HYBYOHOBJKUJCV-UHFFFAOYSA-N
-rxn:4:221965:224617,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCCC6)c(Cl)c5)cc4)CC3)nn2)CC1,XIKQPRKKPYSLSV-UHFFFAOYSA-N
-rxn:4:221965:224621,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCSCC6)cc5)cc4)CC3)nn2)CC1,AWJKIGREZAYFDM-UHFFFAOYSA-N
-rxn:4:221965:224624,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)ccc5C(=O)OCC(C)(C)C)cc4)CC3)nn2)CC1,QNQCGLFIOLGFPE-UHFFFAOYSA-N
-rxn:4:221965:224648,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,NQYVERGIRNMMML-UHFFFAOYSA-N
-rxn:4:221965:224657,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(O[Si](C)(C)C(C)(C)C)c5F)cc4)CC3)nn2)CC1,RNUIUYBRJAFXEC-UHFFFAOYSA-N
-rxn:4:221965:224663,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C)CC6)c(F)c5)cc4)CC3)nn2)CC1,NEYYLDUVSHCNLE-UHFFFAOYSA-N
-rxn:4:221965:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(Cl)c2)CC1,AHXROGJZGRBPKV-UHFFFAOYSA-N
-rxn:4:221965:224681,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCCCC6)c(F)c5)cc4)CC3)nn2)CC1,HJCQZNLAWMGUME-UHFFFAOYSA-N
-rxn:4:221965:224684,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCC(=O)CC6)cc5)cc4)CC3)nn2)CC1,MWCSHIOXIZXZJM-UHFFFAOYSA-N
-rxn:4:221965:224688,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCC(=O)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,YQYCEGRYCQUXSA-UHFFFAOYSA-N
-rxn:4:221965:224703,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCC6)cc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,OXRQCDWPGRXJTQ-UHFFFAOYSA-N
-rxn:4:221965:224707,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc6c(C(=O)OC)cc(Cl)cc6c5)cc4)CC3)nn2)CC1,JSMUYJIXCXQUTP-UHFFFAOYSA-N
-rxn:4:221965:224712,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(OC(C)=O)OC(C)=O)cc5)cc4)CC3)nn2)CC1,LCIDTEYSAZEDSG-UHFFFAOYSA-N
-rxn:4:221965:224725,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N(CC)CC)c5)cc4)CC3)nn2)CC1,ORGBHHONVUSETG-UHFFFAOYSA-N
-rxn:4:221965:224731,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)OCC(C)(C)C)c5)cc4)CC3)nn2)CC1,LUQTURRJNHSQPG-UHFFFAOYSA-N
-rxn:4:221965:224741,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)cc(C6OCCO6)cc5OC)cc4)CC3)nn2)CC1,KUWPTKNIVBJXJD-UHFFFAOYSA-N
-rxn:4:221965:224746,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(C)=O)CC6)nc5)cc4)CC3)nn2)CC1,GWNCMNKBFFGDQK-UHFFFAOYSA-N
-rxn:4:221965:224757,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cc(C(=O)N6CCOCC6)c5)cc4)CC3)nn2)CC1,QCCFWRFCPLWXHA-UHFFFAOYSA-N
-rxn:4:221965:224758,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCOCC6)c(Cl)c5)cc4)CC3)nn2)CC1,QUJQTFOHGCLSES-UHFFFAOYSA-N
-rxn:4:221965:224768,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C(=O)N6CCCC6)c(F)c5)cc4)CC3)nn2)CC1,CJASKERJMFGQKD-UHFFFAOYSA-N
-rxn:4:221965:224770,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(S(=O)(=O)N6CCCC6)c5)cc4)CC3)nn2)CC1,HHPSRGWOGXQVRA-UHFFFAOYSA-N
-rxn:4:221965:224771,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCCC6)c5)cc4)CC3)nn2)CC1,CMCIFMHEYGNUOZ-UHFFFAOYSA-N
-rxn:4:221965:224772,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCOCC6)cc5Cl)cc4)CC3)nn2)CC1,YIVAZYYYSXXBKP-UHFFFAOYSA-N
-rxn:4:221965:224779,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6ccccc6C(F)(F)F)s5)cc4)CC3)nn2)CC1,FEORJSTUZBABJY-UHFFFAOYSA-N
-rxn:4:221965:224796,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(S(=O)(=O)OCC(C)(C)C)c5)cc4)CC3)nn2)CC1,NGWYTCHDMPHEQP-UHFFFAOYSA-N
-rxn:4:221965:224810,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,KZTGAZARQIGXIP-UHFFFAOYSA-N
-rxn:4:221965:224824,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6OCCO6)cc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,MRUDXZDKJJISOE-UHFFFAOYSA-N
-rxn:4:221965:224862,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC(C)C)ccc6ccccc56)cc4)CC3)nn2)CC1,AFFKPKPOOMAJFD-UHFFFAOYSA-N
-rxn:4:221965:224865,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCN6CCCCC6)cc5)cc4)CC3)nn2)CC1,BJGVBYFLBJDZNF-UHFFFAOYSA-N
-rxn:4:221965:224874,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(COC6CCCCC6)c5)cc4)CC3)nn2)CC1,BHESSQGYYCFZQV-UHFFFAOYSA-N
-rxn:4:221965:224881,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN6CCCCCC6)c5)cc4)CC3)nn2)CC1,GYXLYQITQBYORN-UHFFFAOYSA-N
-rxn:4:221965:224882,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCCCCC6)cc5)cc4)CC3)nn2)CC1,DFSKLWJFYLRWAM-UHFFFAOYSA-N
-rxn:4:221965:224934,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCN6CCCC6)c5)cc4)CC3)nn2)CC1,JKICRNYCKKAVSZ-UHFFFAOYSA-N
-rxn:4:221965:224949,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(CN6CCCC6)c5)cc4)CC3)nn2)CC1,UQVYBLLOJLYJSW-UHFFFAOYSA-N
-rxn:4:221965:224956,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(O[Si](C)(C)C(C)(C)C)c5)cc4)CC3)nn2)CC1,HITCMNLQNKFHNW-UHFFFAOYSA-N
-rxn:4:221965:224963,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(COC6CCOCC6)c5)cc4)CC3)nn2)CC1,QZXOZUBMJRCBJN-UHFFFAOYSA-N
-rxn:4:221965:224975,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,UXPFJNLEKNZUPE-UHFFFAOYSA-N
-rxn:4:221965:224986,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)cc5C#N)cc4)CC3)nn2)CC1,OVHMNGYBCUSAGY-UHFFFAOYSA-N
-rxn:4:221965:225000,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCCCC6)c(F)c5)cc4)CC3)nn2)CC1,BTYGQRVQNYVYMK-UHFFFAOYSA-N
-rxn:4:221965:225007,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN6CCCCC6)c5F)cc4)CC3)nn2)CC1,UNAKPXLWLIQDJQ-UHFFFAOYSA-N
-rxn:4:221965:225043,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCCCC6)c(F)c5)cc4)CC3)nn2)CC1,OFUUFDPHVJZJOR-UHFFFAOYSA-N
-rxn:4:221965:225047,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(C)CC6)c(C)c5)cc4)CC3)nn2)CC1,FPZIHBQTTVYOBQ-UHFFFAOYSA-N
-rxn:4:221965:225048,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)cc5C)cc4)CC3)nn2)CC1,VINPVJHZOAGCPP-UHFFFAOYSA-N
-rxn:4:221965:225061,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCC(C)CC6)cc5F)cc4)CC3)nn2)CC1,VTBDPULSLPTNRE-UHFFFAOYSA-N
-rxn:4:221965:225085,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6ccc(C(F)(F)F)cc6c5)cc4)CC3)nn2)CC1,DADDFSVERSPVFZ-UHFFFAOYSA-N
-rxn:4:221965:225086,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,NHWRFEZFYJEPBE-UHFFFAOYSA-N
-rxn:4:221965:225087,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN(C)C)c(F)c5)cc4)CC3)nn2)CC1,HQQLINQRJZBQIB-UHFFFAOYSA-N
-rxn:4:221965:225090,CCOCc1cc(OC)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(OC)c1,GSOPRXZTUWLVGO-UHFFFAOYSA-N
-rxn:4:221965:225092,CCCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(Cl)c1OC,KPNMOMXDIAUYHN-UHFFFAOYSA-N
-rxn:4:221965:225105,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(CC)CC)c(F)c5)cc4)CC3)nn2)CC1,CLFDSBPDYNJSOT-UHFFFAOYSA-N
-rxn:4:221965:225171,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(CN6CCOCC6)c5)cc4)CC3)nn2)CC1,HADRMYJSSZRNJK-UHFFFAOYSA-N
-rxn:4:221965:225182,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OC6CCCCC6)c5Cl)cc4)CC3)nn2)CC1,PCEPGXAQSNIDEM-UHFFFAOYSA-N
-rxn:4:221965:225190,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCOCC6)cc5OC)cc4)CC3)nn2)CC1,YNWKTFWAXRALQE-UHFFFAOYSA-N
-rxn:4:221965:225201,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCCC6)c(F)c5F)cc4)CC3)nn2)CC1,VGQGZBFGZQZVAI-UHFFFAOYSA-N
-rxn:4:221965:225217,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC(C)C6)cc5F)cc4)CC3)nn2)CC1,OIMCGZLPQMGPMU-UHFFFAOYSA-N
-rxn:4:221965:225220,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCCC6C)c(Cl)c5)cc4)CC3)nn2)CC1,PKOZNSHZRFCVQA-UHFFFAOYSA-N
-rxn:4:221965:225223,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(C)CC6)cc5F)cc4)CC3)nn2)CC1,NMUAFALOIZXUIR-UHFFFAOYSA-N
-rxn:4:221965:225226,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCC(C)CC6)ncc5F)cc4)CC3)nn2)CC1,KXYSWAIDQWVMFC-UHFFFAOYSA-N
-rxn:4:221965:225228,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)cc5F)cc4)CC3)nn2)CC1,HRSOUYNLHDZAIS-UHFFFAOYSA-N
-rxn:4:221965:225234,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)c(F)c5F)cc4)CC3)nn2)CC1,CWEIOEOSHSULQS-UHFFFAOYSA-N
-rxn:4:221965:225256,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)nc6ccccc56)cc4)CC3)nn2)CC1,YCUWAIWRVQUBDY-UHFFFAOYSA-N
-rxn:4:221965:225294,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCN(CC)CC6)nc5)cc4)CC3)nn2)CC1,HROHWXJXROSAPU-UHFFFAOYSA-N
-rxn:4:221965:225296,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5)cc4)CC3)nn2)CC1,GATQQDDNLCMKTN-UHFFFAOYSA-N
-rxn:4:221965:225303,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)(C)C)nc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,LGBKIVPXXUQAFW-UHFFFAOYSA-N
-rxn:4:221965:225305,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCC6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,ODXGGGNMCVWQAD-UHFFFAOYSA-N
-rxn:4:221965:225312,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCN(C)CC6)nc5)cc4)CC3)nn2)CC1,BGGMYFKLWAMHMU-UHFFFAOYSA-N
-rxn:4:221965:225313,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)nc5F)cc4)CC3)nn2)CC1,YBMAYMCEYIROMZ-UHFFFAOYSA-N
-rxn:4:221965:225318,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc(N6CCOCC6)cc5F)cc4)CC3)nn2)CC1,XCJYNBSFCUNLDW-UHFFFAOYSA-N
-rxn:4:221965:225319,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)c(N6CCOCC6)c5)cc4)CC3)nn2)CC1,RDIKXMMIJAEFJW-UHFFFAOYSA-N
-rxn:4:221965:225323,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)c6c(cnn6C)c5)cc4)CC3)nn2)CC1,BVTUOUSTQCXRQH-UHFFFAOYSA-N
-rxn:4:221965:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,BNACAMFGRBRXPO-UHFFFAOYSA-N
-rxn:4:221965:225338,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(COCC(F)(F)F)c5)cc4)CC3)nn2)CC1,UMZVKWLYWSHHKG-UHFFFAOYSA-N
-rxn:4:221965:225340,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1OC(F)(F)F,VXTWLJUGQJHWSU-UHFFFAOYSA-N
-rxn:4:221965:225342,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N(C)C)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,PLHYWSZAYOBZDE-UHFFFAOYSA-N
-rxn:4:221965:225347,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)C)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,CNKSKNZJXUOITR-UHFFFAOYSA-N
-rxn:4:221965:225354,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C(F)(F)F)c1F,YMLMWZLSIVHMFF-UHFFFAOYSA-N
-rxn:4:221965:225361,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(C6CCCC6)nc5C(F)(F)F)cc4)CC3)nn2)CC1,FEDOZQBVCIQRSP-UHFFFAOYSA-N
-rxn:4:221965:225365,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)c(F)c(OC(C)C)c(F)c5F)cc4)CC3)nn2)CC1,SQIZGVOIACATCV-UHFFFAOYSA-N
-rxn:4:221965:225367,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(F)(F)CC6)nc5)cc4)CC3)nn2)CC1,SWQZTFVTPACSFB-UHFFFAOYSA-N
-rxn:4:221965:225371,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(F)(F)F)c(C(=O)OC)c5)cc4)CC3)nn2)CC1,JEFZOKPRYPEKJF-UHFFFAOYSA-N
-rxn:4:221965:225372,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OCC(F)(F)F)c(F)c5)cc4)CC3)nn2)CC1,PTHTWBMNSXDXAQ-UHFFFAOYSA-N
-rxn:4:221965:225375,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(F)(F)C(F)(F)F)cc5)cc4)CC3)nn2)CC1,NNMQWCRJFQKIKD-UHFFFAOYSA-N
-rxn:4:221965:225377,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(F)F)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,SAOFFDZELYBFJC-UHFFFAOYSA-N
-rxn:4:221965:225389,CCC(C)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C2CC2)c1,CSJIVWMDFHJXAX-UHFFFAOYSA-N
-rxn:4:221965:225390,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CC(C)C)cc(C6CC6)c5)cc4)CC3)nn2)CC1,HZULNZLPSRMJJK-UHFFFAOYSA-N
-rxn:4:221965:225395,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,YJFZKSHVVNTKQB-UHFFFAOYSA-N
-rxn:4:221965:225423,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCCCN(C)C)cc5)cc4)CC3)nn2)CC1,LSWDDHGRMVUOIT-UHFFFAOYSA-N
-rxn:4:221965:225428,CCCCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(C)c1,ZUJNJEBKOWLHMN-UHFFFAOYSA-N
-rxn:4:221965:225430,CCCCOc1cc(C)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(C)c1,KPOQQUSRMHBQPL-UHFFFAOYSA-N
-rxn:4:221965:225440,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C#N)CCCC6)cc5)cc4)CC3)nn2)CC1,VFSVJBLWCUWCJL-UHFFFAOYSA-N
-rxn:4:221965:225454,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6=CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,IHHDKMXQNMKNGY-UHFFFAOYSA-N
-rxn:4:221965:225507,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCC6C(=O)OC)cc4)CC3)nn2)CC1,TZCWLLWHJSOIFT-UHFFFAOYSA-N
-rxn:4:221965:225512,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6cc([Si](C)(C)C)sc56)cc4)CC3)nn2)CC1,RFRUDESGZKAPCH-UHFFFAOYSA-N
-rxn:4:221965:225514,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5OCC5(CC5)CO6)cc4)CC3)nn2)CC1,JUMHWRAVJHKJPH-UHFFFAOYSA-N
-rxn:4:221965:225546,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)cccc5OCC(C)C)cc4)CC3)nn2)CC1,ODTBGPZJCHSSAO-UHFFFAOYSA-N
-rxn:4:221965:225549,CCCCC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,KSNXNIRKUMMWKI-UHFFFAOYSA-N
-rxn:4:221965:225574,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)cc5C(=O)OC)cc4)CC3)nn2)CC1,BXXGMFVDPRDGEE-UHFFFAOYSA-N
-rxn:4:221965:225575,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC)c(C6CC6)c5)cc4)CC3)nn2)CC1,XZLUIZAIBGZEOX-UHFFFAOYSA-N
-rxn:4:221965:225588,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CN5CCSCC5)cc4)CC3)nn2)CC1,CVIHMUXDPZTUMC-UHFFFAOYSA-N
-rxn:4:221965:225589,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCSCC6)cc5)cc4)CC3)nn2)CC1,BWEIDNSSPPIXNY-UHFFFAOYSA-N
-rxn:4:221965:225590,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCCC6)c(F)c5)cc4)CC3)nn2)CC1,XUTUWCOBLFQNKD-UHFFFAOYSA-N
-rxn:4:221965:225591,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CN6CCCC6)ccc5F)cc4)CC3)nn2)CC1,WEIWUBAOMRKKIC-UHFFFAOYSA-N
-rxn:4:221965:225600,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccnc5OC5CCCCC5)cc4)CC3)nn2)CC1,WANDAOHHFWWSJN-UHFFFAOYSA-N
-rxn:4:221965:225601,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C#N)CCC6)cc5F)cc4)CC3)nn2)CC1,UKKKUOWOFUVHRZ-UHFFFAOYSA-N
-rxn:4:221965:225603,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6(C#N)CCC6)c5F)cc4)CC3)nn2)CC1,ODQVTFQKYQHUKN-UHFFFAOYSA-N
-rxn:4:221965:225605,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cnc5OC5CCCC5)cc4)CC3)nn2)CC1,LNALHGVJFPNOQY-UHFFFAOYSA-N
-rxn:4:221965:225617,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCCCO6)cc5)cc4)CC3)nn2)CC1,LYUGZAWEEQIXBD-UHFFFAOYSA-N
-rxn:4:221965:225621,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCOC6)c(C)c5)cc4)CC3)nn2)CC1,PVAOTNRHLLHOQF-UHFFFAOYSA-N
-rxn:4:221965:225622,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OC5CCCCO5)cc4)CC3)nn2)CC1,WVQWGNOOVZCPMZ-UHFFFAOYSA-N
-rxn:4:221965:225625,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC6CCCC6)ccc5F)cc4)CC3)nn2)CC1,RGZBTQCVNVSLAJ-UHFFFAOYSA-N
-rxn:4:221965:225631,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,BSGSIUBTNWBKIO-UHFFFAOYSA-N
-rxn:4:221965:225671,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCCC6)ncc5F)cc4)CC3)nn2)CC1,ULHSIELNIPRUKO-UHFFFAOYSA-N
-rxn:4:221965:225674,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCCC6)cc5F)cc4)CC3)nn2)CC1,VPIPFMCNQBBZRS-UHFFFAOYSA-N
-rxn:4:221965:225677,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCCCC6)nc5F)cc4)CC3)nn2)CC1,OLNVIAYMPXXFDM-UHFFFAOYSA-N
-rxn:4:221965:225679,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)cc5F)cc4)CC3)nn2)CC1,VVDFUTXYVIRFBX-UHFFFAOYSA-N
-rxn:4:221965:225706,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6ncn(C(C)C)c6cc5F)cc4)CC3)nn2)CC1,MVIXJYINISBQRH-UHFFFAOYSA-N
-rxn:4:221965:225709,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN(C)C)nc5)cc4)CC3)nn2)CC1,JYZVMLVJMJRXDS-UHFFFAOYSA-N
-rxn:4:221965:225714,CCOCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,MEIFBQNWDHOCIP-UHFFFAOYSA-N
-rxn:4:221965:225715,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(COCCOC)c5)cc4)CC3)nn2)CC1,FJCMCFATYSBCII-UHFFFAOYSA-N
-rxn:4:221965:225721,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(CC)CC)nc5)cc4)CC3)nn2)CC1,QQNYFQJJUNWVNY-UHFFFAOYSA-N
-rxn:4:221965:225724,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN(C)C)c(F)c5)cc4)CC3)nn2)CC1,CIMKKAUEGJQSPE-UHFFFAOYSA-N
-rxn:4:221965:225736,CCCOc1c(OC)ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1F,OBAWYSWNUZVRJJ-UHFFFAOYSA-N
-rxn:4:221965:225754,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)ncc5C5CC5)cc4)CC3)nn2)CC1,BBOJANHJSROHPW-UHFFFAOYSA-N
-rxn:4:221965:225756,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)ncc5C(C)C)cc4)CC3)nn2)CC1,ZMTSRGMHZFPWIB-UHFFFAOYSA-N
-rxn:4:221965:225768,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OC(C)C)c(OC)c5)cc4)CC3)nn2)CC1,NVUYVESHSDVVGI-UHFFFAOYSA-N
-rxn:4:221965:225769,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCC6CC6)c(F)cc5F)cc4)CC3)nn2)CC1,PWFSNHCLPOHFGH-UHFFFAOYSA-N
-rxn:4:221965:225773,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC(C)C)ccc5F)cc4)CC3)nn2)CC1,OMFCFAREBWLTHD-UHFFFAOYSA-N
-rxn:4:221965:225776,CCCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C(F)(F)F)c1,UXDVCVIEAQNHTI-UHFFFAOYSA-N
-rxn:4:221965:225784,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCOCC6)nc5)cc4)CC3)nn2)CC1,QWFDHEQRHKUQCU-UHFFFAOYSA-N
-rxn:4:221965:225801,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OC6CCCC6)c5Cl)cc4)CC3)nn2)CC1,XINQQMRJUIEAQI-UHFFFAOYSA-N
-rxn:4:221965:225804,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCC6)c(F)c5)cc4)CC3)nn2)CC1,YFVNATIGRJHBLV-UHFFFAOYSA-N
-rxn:4:221965:225806,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCCC6)cc5F)cc4)CC3)nn2)CC1,OTUDKKHXWJFVOC-UHFFFAOYSA-N
-rxn:4:221965:225809,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5OC5CCOC5)cc4)CC3)nn2)CC1,LXUPJUIJVFQFIP-UHFFFAOYSA-N
-rxn:4:221965:225811,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C(F)(F)F)CC6)cc5)cc4)CC3)nn2)CC1,QUKQGCOBEGPUSV-UHFFFAOYSA-N
-rxn:4:221965:225821,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,LLPLJOPEVMTOFB-UHFFFAOYSA-N
-rxn:4:221965:225823,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)C)cc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,GRWYCWMIWCCNQA-UHFFFAOYSA-N
-rxn:4:221965:225825,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)nc5)cc4)CC3)nn2)CC1,FEEWIRAMMUHOQC-UHFFFAOYSA-N
-rxn:4:221965:225827,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4)CC3)nn2)CC1,VMRYFNBDOPIAAG-UHFFFAOYSA-N
-rxn:4:221965:225828,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCCCC6)nc5)cc4)CC3)nn2)CC1,IWOSYTQBHIYFNR-UHFFFAOYSA-N
-rxn:4:221965:225829,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCC(C)CC6)nc5)cc4)CC3)nn2)CC1,YFPHQYCXUFPCGP-UHFFFAOYSA-N
-rxn:4:221965:225833,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N6CCCCC6)c5F)cc4)CC3)nn2)CC1,ZZRGMIFCEWPXKX-UHFFFAOYSA-N
-rxn:4:221965:225834,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCCC6)ncc5F)cc4)CC3)nn2)CC1,GDZFPFAIMAHJPW-UHFFFAOYSA-N
-rxn:4:221965:225859,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCCC6)c(Cl)c5)cc4)CC3)nn2)CC1,RESZKNDLDUZIIE-UHFFFAOYSA-N
-rxn:4:221965:225867,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(N6CCCCC6)c5)cc4)CC3)nn2)CC1,LZGXCFDOHQBMAI-UHFFFAOYSA-N
-rxn:4:221965:225872,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)c(N6CCCC6)c5)cc4)CC3)nn2)CC1,BQCGOJXTNINYKO-UHFFFAOYSA-N
-rxn:4:221965:225875,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCOCC6)cc5Cl)cc4)CC3)nn2)CC1,ODVAPKZECVINIU-UHFFFAOYSA-N
-rxn:4:221965:225886,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(ccn6S(C)(=O)=O)c5)cc4)CC3)nn2)CC1,QBAPZLOQDNWKMK-UHFFFAOYSA-N
-rxn:4:221965:225887,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cccc(C(F)(F)F)c6s5)cc4)CC3)nn2)CC1,YCTGUPQSSYLIMN-UHFFFAOYSA-N
-rxn:4:221965:225888,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6nc(C)n(C)c6c(F)c5F)cc4)CC3)nn2)CC1,AOVAQNWNLCGZOJ-UHFFFAOYSA-N
-rxn:4:221965:225898,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)CC3)nn2)CC1,QRNZRQMHYXQLSQ-UHFFFAOYSA-N
-rxn:4:221965:225907,CCCc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C(F)(F)F,IFAJSUZICWFVCP-UHFFFAOYSA-N
-rxn:4:221965:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,GIKGYUOQNPVSQB-UHFFFAOYSA-N
-rxn:4:221965:225913,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C(F)(F)F,NKCCIZKPLSHTMQ-UHFFFAOYSA-N
-rxn:4:221965:225923,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCCC6)nc5Cl)cc4)CC3)nn2)CC1,WAQTYMQNXFTCEC-UHFFFAOYSA-N
-rxn:4:221965:225944,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc(F)c(OC(C)C)c5F)cc4)CC3)nn2)CC1,FEHVKVWPLQWLKH-UHFFFAOYSA-N
-rxn:4:221965:225947,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCN(C)CC6)nc5)cc4)CC3)nn2)CC1,YKOWLWJJXOINEJ-UHFFFAOYSA-N
-rxn:4:221965:225982,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCOCC6)cc5F)cc4)CC3)nn2)CC1,GLXKCBGZZABIAO-UHFFFAOYSA-N
-rxn:4:221965:225984,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(N6CCOCC6)c5)cc4)CC3)nn2)CC1,PFTGQEBFGRAVON-UHFFFAOYSA-N
-rxn:4:221965:225992,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(CC(C)C)nc5C(F)(F)F)cc4)CC3)nn2)CC1,UKABWVPWXKJSCP-UHFFFAOYSA-N
-rxn:4:221965:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,GMLWWYKRJBKRAI-UHFFFAOYSA-N
-rxn:4:221965:226004,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(OC(F)(F)F)c5)cc4)CC3)nn2)CC1,FBXAMNDQPNMHJZ-UHFFFAOYSA-N
-rxn:4:221965:226005,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC(F)(F)F)c(F)c5)cc4)CC3)nn2)CC1,KVVKVAMROLXQBA-UHFFFAOYSA-N
-rxn:4:221965:226012,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC(F)(F)F)cc5F)cc4)CC3)nn2)CC1,JGNDGVYSAGPQSK-UHFFFAOYSA-N
-rxn:4:221965:226038,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C(F)(F)F)cc5OC)cc4)CC3)nn2)CC1,ZOOIWDPJHVVSHV-UHFFFAOYSA-N
-rxn:4:221965:226046,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(F)(F)C(F)(F)F)c5)cc4)CC3)nn2)CC1,MBTKAGZSHBAYTE-UHFFFAOYSA-N
-rxn:4:221965:226056,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c6c(cc7c5CCC7)CCC6)cc4)CC3)nn2)CC1,BDMJXPVCTSCDBB-UHFFFAOYSA-N
-rxn:4:221965:226069,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6CCCCC6)c5)cc4)CC3)nn2)CC1,YUDUXFKMXZDJKD-UHFFFAOYSA-N
-rxn:4:221965:226085,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCC(C)(C)O6)cc4)CC3)nn2)CC1,JSQQQVUEFWOTHC-UHFFFAOYSA-N
-rxn:4:221965:226098,CCCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C,QHEVFRFCFYLHKZ-UHFFFAOYSA-N
-rxn:4:221965:226101,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(CC)CC)cc5C)cc4)CC3)nn2)CC1,ARBLHAOVSOLCBP-UHFFFAOYSA-N
-rxn:4:221965:226120,CCCOc1cc(C)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(C)c1,PFGDQLLFABSZNR-UHFFFAOYSA-N
-rxn:4:221965:226130,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCCC6)cc5)cc4)CC3)nn2)CC1,MMCFVLAOYMQPBX-UHFFFAOYSA-N
-rxn:4:221965:226132,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C#N)CC6)cc5C)cc4)CC3)nn2)CC1,DMVSOYRWOJTUSN-UHFFFAOYSA-N
-rxn:4:221965:226135,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(C#N)cc5C)cc4)CC3)nn2)CC1,BHARKNIUHHNUFZ-UHFFFAOYSA-N
-rxn:4:221965:226136,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(C)cc5C#N)cc4)CC3)nn2)CC1,KSZOSSWWJXGHPP-UHFFFAOYSA-N
-rxn:4:221965:226138,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(C#N)cc5C5CC5)cc4)CC3)nn2)CC1,XELKTATWPHVPIT-UHFFFAOYSA-N
-rxn:4:221965:226141,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OC5CCCC5)cc4)CC3)nn2)CC1,XWPHYXSUADVWSG-UHFFFAOYSA-N
-rxn:4:221965:226147,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(OC(C)C)cc5C)cc4)CC3)nn2)CC1,BOEGLGDKYQHAPN-UHFFFAOYSA-N
-rxn:4:221965:226153,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(OC)cc5C)cc4)CC3)nn2)CC1,YJMVTMCOGURSPM-UHFFFAOYSA-N
-rxn:4:221965:226175,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC6)cc5C)cc4)CC3)nn2)CC1,FUFALTRPYWQAGU-UHFFFAOYSA-N
-rxn:4:221965:226181,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6=CCCCC6)nc5)cc4)CC3)nn2)CC1,JKKIJERPDIQWMT-UHFFFAOYSA-N
-rxn:4:221965:226190,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCCC6)cc5F)cc4)CC3)nn2)CC1,WRRTVIOOGRMPEV-UHFFFAOYSA-N
-rxn:4:221965:226212,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCC6=NOC)cc4)CC3)nn2)CC1,MZKKXISQZMSLJV-UHFFFAOYSA-N
-rxn:4:221965:226223,CCOCCOc1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,CFAJIQDVIJNAAJ-UHFFFAOYSA-N
-rxn:4:221965:226225,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(COCCOC)c5)cc4)CC3)nn2)CC1,ALMRDMSXGSQTQI-UHFFFAOYSA-N
-rxn:4:221965:226230,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(COCCOC)cc5)cc4)CC3)nn2)CC1,CTRVVMGPCDNHKC-UHFFFAOYSA-N
-rxn:4:221965:226232,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCN(C)C)c5)cc4)CC3)nn2)CC1,QUCDGHJWLOUSAT-UHFFFAOYSA-N
-rxn:4:221965:226233,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN(C)C)cc5)cc4)CC3)nn2)CC1,RTDLJFMRUPSAGM-UHFFFAOYSA-N
-rxn:4:221965:226234,CCCOc1ccc(C#N)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,CJQJVAMVVMWOHF-UHFFFAOYSA-N
-rxn:4:221965:226237,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCCN(C)C)cc4)CC3)nn2)CC1,JJYDBAYQDOOLQP-UHFFFAOYSA-N
-rxn:4:221965:226239,CCCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,YEHOAFRFVZKAGR-UHFFFAOYSA-N
-rxn:4:221965:226242,CCCCOc1ccc(F)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,RPHWHZJVKJMYFH-UHFFFAOYSA-N
-rxn:4:221965:226245,CCCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1F,XEEMAQPFJCOLKR-UHFFFAOYSA-N
-rxn:4:221965:226255,CCCCOc1ccc(Cl)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,ZYESTYAFXTVPKN-UHFFFAOYSA-N
-rxn:4:221965:226265,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCOC)c5)cc4)CC3)nn2)CC1,YDNZDOCGODSUJC-UHFFFAOYSA-N
-rxn:4:221965:226270,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C=C(C#N)C#N)c5)cc4)CC3)nn2)CC1,RURZKJOWUIFDIB-UHFFFAOYSA-N
-rxn:4:221965:226274,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)c(C#N)c5)cc4)CC3)nn2)CC1,NIWGHBBXSFXPTM-UHFFFAOYSA-N
-rxn:4:221965:226276,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(CN(C)C)c5)cc4)CC3)nn2)CC1,ZNMQQPXEYFXREU-UHFFFAOYSA-N
-rxn:4:221965:226282,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCC(C)C)c5F)cc4)CC3)nn2)CC1,MDXUNADUJBETRM-UHFFFAOYSA-N
-rxn:4:221965:226283,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCC(C)C)ccc5F)cc4)CC3)nn2)CC1,WXFNVDHCTXRVBO-UHFFFAOYSA-N
-rxn:4:221965:226292,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC(C)C)cc5)cc4)CC3)nn2)CC1,PWBXRNJOLCXZQU-UHFFFAOYSA-N
-rxn:4:221965:226293,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC6CC6)c(Cl)c5)cc4)CC3)nn2)CC1,PSJJNFWPDLDWNK-UHFFFAOYSA-N
-rxn:4:221965:226294,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)cc5OC)cc4)CC3)nn2)CC1,RKEAJNLWUXMEFU-UHFFFAOYSA-N
-rxn:4:221965:226304,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(OC(C)C)c5)cc4)CC3)nn2)CC1,XYLSVJNMSOERSW-UHFFFAOYSA-N
-rxn:4:221965:226308,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1C(=O)OC,XOQGZFNZROJBSG-UHFFFAOYSA-N
-rxn:4:221965:226312,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5C(=O)OC(C)C)cc4)CC3)nn2)CC1,CFSAIWQORBOUBJ-UHFFFAOYSA-N
-rxn:4:221965:226319,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCC6)cc5)cc4)CC3)nn2)CC1,NIPVFEIENKBVSE-UHFFFAOYSA-N
-rxn:4:221965:226320,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6(C#N)CC6)ccc5F)cc4)CC3)nn2)CC1,JIBYRKLQDMMSAJ-UHFFFAOYSA-N
-rxn:4:221965:226323,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCCC6)nc5)cc4)CC3)nn2)CC1,GIJMNQUGHHQXNL-UHFFFAOYSA-N
-rxn:4:221965:226325,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C#N)cc5F)cc4)CC3)nn2)CC1,GYPFYCLJSLHVNA-UHFFFAOYSA-N
-rxn:4:221965:226326,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6(C#N)CC6)c5F)cc4)CC3)nn2)CC1,JHNSHYFCSREKTQ-UHFFFAOYSA-N
-rxn:4:221965:226327,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C#N)CC6)cc5Cl)cc4)CC3)nn2)CC1,VSWSRMKOSOBRRL-UHFFFAOYSA-N
-rxn:4:221965:226328,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C#N)c(F)c5)cc4)CC3)nn2)CC1,KGFCGKGNBIRDDQ-UHFFFAOYSA-N
-rxn:4:221965:226329,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C#N)CC6)c(F)c5)cc4)CC3)nn2)CC1,DIXKPGYUXJJJQS-UHFFFAOYSA-N
-rxn:4:221965:226330,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)N6CCCC6)s5)cc4)CC3)nn2)CC1,ZZHQFZQBQZYGIR-UHFFFAOYSA-N
-rxn:4:221965:226335,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6COC6)c(C#N)c5)cc4)CC3)nn2)CC1,BXSWVXPHWUEIBN-UHFFFAOYSA-N
-rxn:4:221965:226337,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C#N)c5Cl)cc4)CC3)nn2)CC1,LQXFCLQSTZVDRT-UHFFFAOYSA-N
-rxn:4:221965:226340,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)cc(C6CC6)c5Cl)cc4)CC3)nn2)CC1,BYPHVCXIVGMRRH-UHFFFAOYSA-N
-rxn:4:221965:226341,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)C)c(F)cc5OC)cc4)CC3)nn2)CC1,PXXXNPUBOCTKIJ-UHFFFAOYSA-N
-rxn:4:221965:226346,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(OC(C)C)c5F)cc4)CC3)nn2)CC1,YELJWDQKNMZYAS-UHFFFAOYSA-N
-rxn:4:221965:226348,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,YFBZVVCVBKGQOK-UHFFFAOYSA-N
-rxn:4:221965:226353,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(OC)c5Cl)cc4)CC3)nn2)CC1,QVVGFDZCYQAZQV-UHFFFAOYSA-N
-rxn:4:221965:226354,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(C6CC6)c5Cl)cc4)CC3)nn2)CC1,XKDHBEPXIAIEBC-UHFFFAOYSA-N
-rxn:4:221965:226355,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(OC)cc5Cl)cc4)CC3)nn2)CC1,XFLRYAUIVMHOKQ-UHFFFAOYSA-N
-rxn:4:221965:226356,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(C6CC6)cc5Cl)cc4)CC3)nn2)CC1,PMZTUCFFXAKESC-UHFFFAOYSA-N
-rxn:4:221965:226411,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCOCC6)cc5)cc4)CC3)nn2)CC1,LYFQGLOMMHMROH-UHFFFAOYSA-N
-rxn:4:221965:226412,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(N6CCCC6)c5)cc4)CC3)nn2)CC1,ZQZDNEZMIJQIKR-UHFFFAOYSA-N
-rxn:4:221965:226414,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6=NCCCO6)cc5)cc4)CC3)nn2)CC1,GGADSIOZDICUTF-UHFFFAOYSA-N
-rxn:4:221965:226419,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC6)cc5Cl)cc4)CC3)nn2)CC1,FQBGYUNFQSLASR-UHFFFAOYSA-N
-rxn:4:221965:226421,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5N5CCCC5)cc4)CC3)nn2)CC1,PULQYVVOAYOPHK-UHFFFAOYSA-N
-rxn:4:221965:226422,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5N5CCCC5)cc4)CC3)nn2)CC1,MZRIPYIXZZQXNR-UHFFFAOYSA-N
-rxn:4:221965:226424,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCC(C)C6)cs5)cc4)CC3)nn2)CC1,YLVNMLVELKBBPQ-UHFFFAOYSA-N
-rxn:4:221965:226425,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6C)s5)cc4)CC3)nn2)CC1,KENNPPNZOAWOMM-UHFFFAOYSA-N
-rxn:4:221965:226431,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC6)c(F)c5)cc4)CC3)nn2)CC1,GLKIDSCEBUDUFJ-UHFFFAOYSA-N
-rxn:4:221965:226438,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCC6)cc5F)cc4)CC3)nn2)CC1,XOAPGKACBMMJQU-UHFFFAOYSA-N
-rxn:4:221965:226441,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC6)cc5F)cc4)CC3)nn2)CC1,WJDPBKNEEXXGBN-UHFFFAOYSA-N
-rxn:4:221965:226452,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6OCCCO6)cc5)cc4)CC3)nn2)CC1,CNYCLNSJNIFDJW-UHFFFAOYSA-N
-rxn:4:221965:226457,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCOC6)c(F)c5)cc4)CC3)nn2)CC1,YSKWTVTZPKDIMV-UHFFFAOYSA-N
-rxn:4:221965:226470,CCOC(=O)CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cs1,JOGZLUHKUZEHKO-UHFFFAOYSA-N
-rxn:4:221965:226471,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN(C)C)nc5)cc4)CC3)nn2)CC1,LBKBJHGQEGLOFI-UHFFFAOYSA-N
-rxn:4:221965:226472,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OCCN(C)C)c5)cc4)CC3)nn2)CC1,PGZCJWAHJNGCPR-UHFFFAOYSA-N
-rxn:4:221965:226475,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(OCC)n1,SUCMBRJALONDTL-UHFFFAOYSA-N
-rxn:4:221965:226476,CCCCOc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,WPROWWCQWZWUDP-UHFFFAOYSA-N
-rxn:4:221965:226479,CCCCOc1nccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1Cl,ZVVQJNCSEGWXBY-UHFFFAOYSA-N
-rxn:4:221965:226486,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC(=O)OC)cc5)cc4)CC3)nn2)CC1,QWAMLKJTNQGMOK-UHFFFAOYSA-N
-rxn:4:221965:226489,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCF)c(Cl)c5)cc4)CC3)nn2)CC1,OQWPCMVDPKJYND-UHFFFAOYSA-N
-rxn:4:221965:226498,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(CC)CC)c(Cl)c5)cc4)CC3)nn2)CC1,QOUDQBOTDCDFDL-UHFFFAOYSA-N
-rxn:4:221965:226504,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)OC)cc5)cc4)CC3)nn2)CC1,AWTXGGFWIFSYJY-UHFFFAOYSA-N
-rxn:4:221965:226522,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,HOWNBFAGPMRSKD-UHFFFAOYSA-N
-rxn:4:221965:226526,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)ccc5OC)cc4)CC3)nn2)CC1,HEGKITGBYFKUIA-UHFFFAOYSA-N
-rxn:4:221965:226528,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(Cl)c1,SORKJGKAEQXIOX-UHFFFAOYSA-N
-rxn:4:221965:226530,CCOC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1F,JUBYXCMNSYOCEX-UHFFFAOYSA-N
-rxn:4:221965:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,JPQHFZMBBZVXOU-UHFFFAOYSA-N
-rxn:4:221965:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,MZDDEYNSWFWNSR-UHFFFAOYSA-N
-rxn:4:221965:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,ZNLLNHOTEKAUCJ-UHFFFAOYSA-N
-rxn:4:221965:226546,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)OC)c5OC)cc4)CC3)nn2)CC1,XAAUGZVYHMWGAN-UHFFFAOYSA-N
-rxn:4:221965:226551,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(Cl)c1OC,KMNDDOXNZAOAIF-UHFFFAOYSA-N
-rxn:4:221965:226552,CCCOc1c(F)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,KMAWYBSIOZECEA-UHFFFAOYSA-N
-rxn:4:221965:226554,CCCOc1cc(F)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1F,OURJEJUDQLLAJU-UHFFFAOYSA-N
-rxn:4:221965:226558,CCCOc1c(F)ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1F,HOKSFSWBWQBEML-UHFFFAOYSA-N
-rxn:4:221965:226562,CCOc1c(F)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1OC,OSYIAAOVEORJHP-UHFFFAOYSA-N
-rxn:4:221965:226567,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)C(=O)OC)cc5)cc4)CC3)nn2)CC1,OHSBIITURXUOPC-UHFFFAOYSA-N
-rxn:4:221965:226574,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)N(C)C)c5)cc4)CC3)nn2)CC1,FUQXIHAEKVARAM-UHFFFAOYSA-N
-rxn:4:221965:226578,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,RRWSDRWLVFEUMU-UHFFFAOYSA-N
-rxn:4:221965:226583,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCOCC6)s5)cc4)CC3)nn2)CC1,ODBNTVALPKMUCV-UHFFFAOYSA-N
-rxn:4:221965:226584,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5Cl)cc4)CC3)nn2)CC1,VDNWBYSRMLRJPY-UHFFFAOYSA-N
-rxn:4:221965:226585,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N(C)C)ccc5Cl)cc4)CC3)nn2)CC1,XFBORGILXQMPHP-UHFFFAOYSA-N
-rxn:4:221965:226593,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)ccc(OC(C)C)c5F)cc4)CC3)nn2)CC1,LFQQPSUCALMBET-UHFFFAOYSA-N
-rxn:4:221965:226595,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(OC(C)C)c5F)cc4)CC3)nn2)CC1,MBZRGZHYKWROST-UHFFFAOYSA-N
-rxn:4:221965:226597,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OC(C)C)c(F)c5)cc4)CC3)nn2)CC1,BUYYAWCKPOCIFC-UHFFFAOYSA-N
-rxn:4:221965:226599,CCOc1c(F)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(C)c1F,YECIWAYTIBDLPJ-UHFFFAOYSA-N
-rxn:4:221965:226602,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OC(C)C)cc5F)cc4)CC3)nn2)CC1,HUJIGLUUOYYJEX-UHFFFAOYSA-N
-rxn:4:221965:226606,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OC(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,UNVHIIUTCLOGHH-UHFFFAOYSA-N
-rxn:4:221965:226612,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCCC6)nc5)cc4)CC3)nn2)CC1,TYHMIMAXPCTBLH-UHFFFAOYSA-N
-rxn:4:221965:226619,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC6)nc5C)cc4)CC3)nn2)CC1,JSQXISZVCWHMCJ-UHFFFAOYSA-N
-rxn:4:221965:226645,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N6CCOCC6)c5)cc4)CC3)nn2)CC1,SFFWZNNRPYMOTL-UHFFFAOYSA-N
-rxn:4:221965:226652,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)nn5C5CCCCO5)cc4)CC3)nn2)CC1,LDEUXUGZXPFFLH-UHFFFAOYSA-N
-rxn:4:221965:226654,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5csc(N6CCC(C)CC6)n5)cc4)CC3)nn2)CC1,FHBYVBDTMJHTSF-UHFFFAOYSA-N
-rxn:4:221965:226659,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC6)c(Cl)c5)cc4)CC3)nn2)CC1,DDTHEUZKHZCWDB-UHFFFAOYSA-N
-rxn:4:221965:226661,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCN(C)CC6)cs5)cc4)CC3)nn2)CC1,ZGGTYWYQWZERJK-UHFFFAOYSA-N
-rxn:4:221965:226663,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCSCC6)nc5)cc4)CC3)nn2)CC1,RGOXDGLQPWRCRX-UHFFFAOYSA-N
-rxn:4:221965:226664,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCC6)ncc5F)cc4)CC3)nn2)CC1,IZOAUCATVSMJBZ-UHFFFAOYSA-N
-rxn:4:221965:226675,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCC6)nc5Cl)cc4)CC3)nn2)CC1,LVYPMADDLWAWNL-UHFFFAOYSA-N
-rxn:4:221965:226708,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6OCCO6)ccc5Cl)cc4)CC3)nn2)CC1,HOXPRENXZOMMDR-UHFFFAOYSA-N
-rxn:4:221965:226715,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(C(=O)OC(C)(C)C)c5)cc4)CC3)nn2)CC1,JDOXJLIMINOPLR-UHFFFAOYSA-N
-rxn:4:221965:226716,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccn(C(=O)OC(C)(C)C)n5)cc4)CC3)nn2)CC1,FJTZOMLLYMAKQL-UHFFFAOYSA-N
-rxn:4:221965:226730,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCC6)nc5Cl)cc4)CC3)nn2)CC1,UOCUVKSVSYQCML-UHFFFAOYSA-N
-rxn:4:221965:226731,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5S(=O)(=O)N(C)C)cc4)CC3)nn2)CC1,HWSLZFWZJMRKOU-UHFFFAOYSA-N
-rxn:4:221965:226736,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5C#N)cc4)CC3)nn2)CC1,QXSLORVJFBAJOS-UHFFFAOYSA-N
-rxn:4:221965:226747,CCc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C(F)(F)F,RJHCEYDSFRPKEV-UHFFFAOYSA-N
-rxn:4:221965:226756,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)c(OC)c5)cc4)CC3)nn2)CC1,HUBLWLCLIJBRRY-UHFFFAOYSA-N
-rxn:4:221965:226757,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(F)(F)F)c(C)c5)cc4)CC3)nn2)CC1,PQBOVCSVEUDNHQ-UHFFFAOYSA-N
-rxn:4:221965:226794,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCSCC6)nc5)cc4)CC3)nn2)CC1,AZFYUKHVVJSXOH-UHFFFAOYSA-N
-rxn:4:221965:226839,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)ncc5C#N)cc4)CC3)nn2)CC1,ZARDUSNLPFVXDR-UHFFFAOYSA-N
-rxn:4:221965:226841,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(F)(F)F)c(OC)c5)cc4)CC3)nn2)CC1,UIHUCUSNUNEHQX-UHFFFAOYSA-N
-rxn:4:221965:226843,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)C(F)(F)F)nc5)cc4)CC3)nn2)CC1,YALCPTXVSUEMMQ-UHFFFAOYSA-N
-rxn:4:221965:226853,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(Cl)ccc(OC)c5[N+](=O)[O-])cc4)CC3)nn2)CC1,LJVQGUZTNKALEJ-UHFFFAOYSA-N
-rxn:4:221965:226877,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OC(F)(F)F)c5Cl)cc4)CC3)nn2)CC1,SHSAUIWORBICBD-UHFFFAOYSA-N
-rxn:4:221965:226880,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,WQCBGPBZTNKRLF-UHFFFAOYSA-N
-rxn:4:221965:226881,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)c(F)c(OC)c(F)c5F)cc4)CC3)nn2)CC1,DLVAYPOUNBPGEH-UHFFFAOYSA-N
-rxn:4:221965:226900,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(F)(F)(F)(F)F)cc5)cc4)CC3)nn2)CC1,XUPRZRZRAYZTKK-UHFFFAOYSA-N
-rxn:4:221965:226907,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5CCC65CC5)cc4)CC3)nn2)CC1,MLDBQNWYLDRIAK-UHFFFAOYSA-N
-rxn:4:221965:226913,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C2CC2)c1,VDEFBEUHMMISBK-UHFFFAOYSA-N
-rxn:4:221965:226917,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,UCMNQVRIPDCPIK-UHFFFAOYSA-N
-rxn:4:221965:226918,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6=CCCC6)cc5)cc4)CC3)nn2)CC1,GDTKQUOGAPKIJX-UHFFFAOYSA-N
-rxn:4:221965:226921,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(C)cc5C)cc4)CC3)nn2)CC1,VCESEHINNBZJBT-UHFFFAOYSA-N
-rxn:4:221965:226922,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(C6CC6)cc5C)cc4)CC3)nn2)CC1,PHELXVYBGSIDAP-UHFFFAOYSA-N
-rxn:4:221965:226924,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(C6CC6)c5C)cc4)CC3)nn2)CC1,WKJODLYJAJBGDJ-UHFFFAOYSA-N
-rxn:4:221965:226925,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C)c5C)cc4)CC3)nn2)CC1,XAABYFGFOINLDK-UHFFFAOYSA-N
-rxn:4:221965:226959,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CC(C)(C)O6)cc4)CC3)nn2)CC1,QYAZGEXVKWDDMP-UHFFFAOYSA-N
-rxn:4:221965:226966,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)C(=O)CCC6)cc4)CC3)nn2)CC1,HZUMXDGJRYWDSB-UHFFFAOYSA-N
-rxn:4:221965:226973,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)C(C)(C)CO6)cc4)CC3)nn2)CC1,MUFTYNPWDRYYHD-UHFFFAOYSA-N
-rxn:4:221965:226974,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)COC6(C)C)cc4)CC3)nn2)CC1,JXYDVIBAJGMBHO-UHFFFAOYSA-N
-rxn:4:221965:226988,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCCOC)cc5)cc4)CC3)nn2)CC1,MHXKCLGYMMOXIR-UHFFFAOYSA-N
-rxn:4:221965:226989,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(CC)CC)cc5)cc4)CC3)nn2)CC1,AVFYMTWUHNPJOP-UHFFFAOYSA-N
-rxn:4:221965:226990,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCN(C)C)cc5)cc4)CC3)nn2)CC1,WTBKAZUYESVWQL-UHFFFAOYSA-N
-rxn:4:221965:226995,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SCC(C)C)cc5)cc4)CC3)nn2)CC1,HWEWTSLXQOHQBY-UHFFFAOYSA-N
-rxn:4:221965:227003,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC6CC6)cc5)cc4)CC3)nn2)CC1,WERPJDPFGFWVMH-UHFFFAOYSA-N
-rxn:4:221965:227005,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCC6CC6)c5)cc4)CC3)nn2)CC1,XZIHLXPXIBUNIE-UHFFFAOYSA-N
-rxn:4:221965:227006,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCC(C)C)c5)cc4)CC3)nn2)CC1,YSDGCIJRIZGTSS-UHFFFAOYSA-N
-rxn:4:221965:227009,CCC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,IKSPLRDHKRYENY-UHFFFAOYSA-N
-rxn:4:221965:227010,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5COC(C)C)cc4)CC3)nn2)CC1,INYILRHOADJVIZ-UHFFFAOYSA-N
-rxn:4:221965:227012,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5SCC(C)C)cc4)CC3)nn2)CC1,XKUKRRXSIRLTNV-UHFFFAOYSA-N
-rxn:4:221965:227018,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C#N)cc5)cc4)CC3)nn2)CC1,MRNWTIVMKPFUSZ-UHFFFAOYSA-N
-rxn:4:221965:227019,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)(C)C#N)c5)cc4)CC3)nn2)CC1,LHVYWTRFBXDRSQ-UHFFFAOYSA-N
-rxn:4:221965:227029,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5C(C)(C)C#N)cc4)CC3)nn2)CC1,RUSCJXJLHQYHSI-UHFFFAOYSA-N
-rxn:4:221965:227037,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)ccc5C5CC5)cc4)CC3)nn2)CC1,IAUFYFFCTRMFCW-UHFFFAOYSA-N
-rxn:4:221965:227041,CCOc1cc(C)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C,XKJDBTXPURCSAI-UHFFFAOYSA-N
-rxn:4:221965:227043,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)cc5C)cc4)CC3)nn2)CC1,VDLQEZIALDHKQD-UHFFFAOYSA-N
-rxn:4:221965:227045,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(SC(C)(C)C)c5)cc4)CC3)nn2)CC1,SCPZTJMDJRAKGA-UHFFFAOYSA-N
-rxn:4:221965:227052,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SC(C)(C)C)cc5)cc4)CC3)nn2)CC1,MKEOWEQSWBPZHA-UHFFFAOYSA-N
-rxn:4:221965:227055,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(C6CC6)c5)cc4)CC3)nn2)CC1,BOQCDDNYEHBNTF-UHFFFAOYSA-N
-rxn:4:221965:227058,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)ccc5OC)cc4)CC3)nn2)CC1,YTCCMNQAHOZIEA-UHFFFAOYSA-N
-rxn:4:221965:227063,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)cc5OC(C)C)cc4)CC3)nn2)CC1,ZHHOGLZWRPGUJE-UHFFFAOYSA-N
-rxn:4:221965:227068,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(C)C)cc5F)cc4)CC3)nn2)CC1,IAPQEYKCIATHKJ-UHFFFAOYSA-N
-rxn:4:221965:227072,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)cc5OC)cc4)CC3)nn2)CC1,OECXFEOWZPZIDN-UHFFFAOYSA-N
-rxn:4:221965:227073,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(C6CC6)c5)cc4)CC3)nn2)CC1,YDOPYKCWMNMOBA-UHFFFAOYSA-N
-rxn:4:221965:227075,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(C(C)C)c5)cc4)CC3)nn2)CC1,HWNLTHFPHZLUEK-UHFFFAOYSA-N
-rxn:4:221965:227077,CCC(C)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(F)c1,ROGFHCWHVDYLEW-UHFFFAOYSA-N
-rxn:4:221965:227079,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CC(C)C)ccc5F)cc4)CC3)nn2)CC1,CDAFVNKVVNJNBH-UHFFFAOYSA-N
-rxn:4:221965:227080,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCCC6)c5)cc4)CC3)nn2)CC1,XANSQPXWUOKMRG-UHFFFAOYSA-N
-rxn:4:221965:227082,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5N5CCCC5)cc4)CC3)nn2)CC1,ZEQMAPCJGBMMNZ-UHFFFAOYSA-N
-rxn:4:221965:227084,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C)nc5C)cc4)CC3)nn2)CC1,XGUKJVOLMISAQZ-UHFFFAOYSA-N
-rxn:4:221965:227102,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)(C)C)ccc5F)cc4)CC3)nn2)CC1,KGFNYIPODWIOTH-UHFFFAOYSA-N
-rxn:4:221965:227109,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(Cl)cc5C)cc4)CC3)nn2)CC1,DXIGAHOTBSGRGN-UHFFFAOYSA-N
-rxn:4:221965:227110,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(C)cc5Cl)cc4)CC3)nn2)CC1,CFKWSADCFVFGQM-UHFFFAOYSA-N
-rxn:4:221965:227111,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(C6CC6)cc5Cl)cc4)CC3)nn2)CC1,MJYVDBASSKXEHR-UHFFFAOYSA-N
-rxn:4:221965:227114,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C)c5Cl)cc4)CC3)nn2)CC1,RHRPYJUMGRSOFU-UHFFFAOYSA-N
-rxn:4:221965:227116,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(Cl)c5C)cc4)CC3)nn2)CC1,FAWSSBKMAVARGG-UHFFFAOYSA-N
-rxn:4:221965:227119,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCCC6)cs5)cc4)CC3)nn2)CC1,ZMTOYDSLDYJRFB-UHFFFAOYSA-N
-rxn:4:221965:227124,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C)cc5F)cc4)CC3)nn2)CC1,NOAROYKSUDVNKS-UHFFFAOYSA-N
-rxn:4:221965:227131,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6CCOC6)c5)cc4)CC3)nn2)CC1,LTZYTYFNCGMBIT-UHFFFAOYSA-N
-rxn:4:221965:227199,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)N(C)C(=O)C6)cc4)CC3)nn2)CC1,YKJHAQFOZOHXRX-UHFFFAOYSA-N
-rxn:4:221965:227210,CCCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cn1,YXEOUAZIFRYRMS-UHFFFAOYSA-N
-rxn:4:221965:227211,CCCCSc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cn1,PZWLOFRKSAOVGN-UHFFFAOYSA-N
-rxn:4:221965:227219,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCF)cc5)cc4)CC3)nn2)CC1,NMHSWBIVNMBEFT-UHFFFAOYSA-N
-rxn:4:221965:227221,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCCF)c5)cc4)CC3)nn2)CC1,JZKKMOZFBGPEJH-UHFFFAOYSA-N
-rxn:4:221965:227225,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SCC(C)C)nc5)cc4)CC3)nn2)CC1,CPUOKCUGFWMNFB-UHFFFAOYSA-N
-rxn:4:221965:227227,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC6CC6)nc5)cc4)CC3)nn2)CC1,NACVXMVCBXHXHN-UHFFFAOYSA-N
-rxn:4:221965:227238,CCOC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,IEXNCQKFPLUCLB-UHFFFAOYSA-N
-rxn:4:221965:227239,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(=O)OC)cc5)cc4)CC3)nn2)CC1,ODBJLLQJLJLFFQ-UHFFFAOYSA-N
-rxn:4:221965:227246,CCCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1F,FAQFHJMDBVNOPK-UHFFFAOYSA-N
-rxn:4:221965:227250,CCCOc1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,MTTOILUTZGLPNA-UHFFFAOYSA-N
-rxn:4:221965:227251,CCCOc1ccc(F)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,OFTLNLAVKFUNNY-UHFFFAOYSA-N
-rxn:4:221965:227254,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,WTVFYFRYDKWIBR-UHFFFAOYSA-N
-rxn:4:221965:227255,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CC(=O)OC)c5)cc4)CC3)nn2)CC1,SFEGQWKMNWZBAI-UHFFFAOYSA-N
-rxn:4:221965:227257,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1F,FIXNWHJZUXXGLS-UHFFFAOYSA-N
-rxn:4:221965:227258,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(F)c1,NHVQICUJZSEFRV-UHFFFAOYSA-N
-rxn:4:221965:227262,CCCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1Cl,ZUAIXDFAGNOLEQ-UHFFFAOYSA-N
-rxn:4:221965:227266,CCOCc1cc(F)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,DDZNMBKIXUZQBJ-UHFFFAOYSA-N
-rxn:4:221965:227267,CCOCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,ODBCVWFWPWSXNG-UHFFFAOYSA-N
-rxn:4:221965:227287,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)C)nc5OC)cc4)CC3)nn2)CC1,WYKFBZWBXFAYNY-UHFFFAOYSA-N
-rxn:4:221965:227290,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N(C)C)c5)cc4)CC3)nn2)CC1,UKAGTPIVEFVYPW-UHFFFAOYSA-N
-rxn:4:221965:227291,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(C)C)c(F)c5)cc4)CC3)nn2)CC1,OLKYDCRJXKQZBU-UHFFFAOYSA-N
-rxn:4:221965:227299,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(CN(C)C)c5)cc4)CC3)nn2)CC1,KWHQQPWBDNBNDO-UHFFFAOYSA-N
-rxn:4:221965:227301,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)cc5CN(C)C)cc4)CC3)nn2)CC1,IQUWFCRBJJLLOO-UHFFFAOYSA-N
-rxn:4:221965:227302,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)C)c(C)c5)cc4)CC3)nn2)CC1,FSRBHXCSMXGWAY-UHFFFAOYSA-N
-rxn:4:221965:227304,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)C)cc5C)cc4)CC3)nn2)CC1,YRIVYGIPVJQKOG-UHFFFAOYSA-N
-rxn:4:221965:227306,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)nc5C)cc4)CC3)nn2)CC1,HFDXFJMANZCHDD-UHFFFAOYSA-N
-rxn:4:221965:227316,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)nc(CC(C)C)c5)cc4)CC3)nn2)CC1,QUPOPUHWCGNIDZ-UHFFFAOYSA-N
-rxn:4:221965:227325,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)(C)C)nc5)cc4)CC3)nn2)CC1,LSMYILNRFNTXJI-UHFFFAOYSA-N
-rxn:4:221965:227327,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,IKYXDONAMFNDPR-UHFFFAOYSA-N
-rxn:4:221965:227332,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)ccc5OC(C)C)cc4)CC3)nn2)CC1,FFWAVUGKCVFFQQ-UHFFFAOYSA-N
-rxn:4:221965:227333,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC(C)C)ccc5Cl)cc4)CC3)nn2)CC1,HMDDETORHJQOLN-UHFFFAOYSA-N
-rxn:4:221965:227340,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(C(=O)OC)c5)cc4)CC3)nn2)CC1,MROIOVJKNYOMOC-UHFFFAOYSA-N
-rxn:4:221965:227344,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)c(F)c5)cc4)CC3)nn2)CC1,CEAXYJDIOAAVPJ-UHFFFAOYSA-N
-rxn:4:221965:227345,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)cc5F)cc4)CC3)nn2)CC1,BYRXEXNHFORVRY-UHFFFAOYSA-N
-rxn:4:221965:227346,CCCc1cc(F)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(F)c1,FYFSYZMCXDFMIY-UHFFFAOYSA-N
-rxn:4:221965:227348,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(OC)c5C)cc4)CC3)nn2)CC1,MTVJJHQJASEQRB-UHFFFAOYSA-N
-rxn:4:221965:227355,CCOc1ccc(C)c(F)c1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,VMQVXUWZNGMRSN-UHFFFAOYSA-N
-rxn:4:221965:227356,CCOc1cc(F)c(C)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,IMNOLFYGNKSYRV-UHFFFAOYSA-N
-rxn:4:221965:227367,CCOc1cc(Cl)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C,XBOMZGDCQFCYLK-UHFFFAOYSA-N
-rxn:4:221965:227376,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(N6CCCC6)c5)cc4)CC3)nn2)CC1,GDYHDHKGAYRJFG-UHFFFAOYSA-N
-rxn:4:221965:227386,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(C6CCCCC6)c5)cc4)CC3)nn2)CC1,FGCPCIXOFRWQKE-UHFFFAOYSA-N
-rxn:4:221965:227387,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N6CCCC6)c5)cc4)CC3)nn2)CC1,DQQDAOTUXSYOMM-UHFFFAOYSA-N
-rxn:4:221965:227403,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)s5)cc4)CC3)nn2)CC1,UYCZANAENPTSKS-UHFFFAOYSA-N
-rxn:4:221965:227407,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cnc5C(C)(C)C)cc4)CC3)nn2)CC1,RXISBVVHTYEBLJ-UHFFFAOYSA-N
-rxn:4:221965:227413,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCC6)cc5F)cc4)CC3)nn2)CC1,QTRNMBFOKPFBRR-UHFFFAOYSA-N
-rxn:4:221965:227426,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCCO6)nc5)cc4)CC3)nn2)CC1,GIQCWCOHFYKLAR-UHFFFAOYSA-N
-rxn:4:221965:227448,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6COC6)c(F)c5)cc4)CC3)nn2)CC1,ZFTFUYKAHDFIFW-UHFFFAOYSA-N
-rxn:4:221965:227449,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCOCC6)s5)cc4)CC3)nn2)CC1,PSSIPVRWHMAZAL-UHFFFAOYSA-N
-rxn:4:221965:227450,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6CC6(F)F)c5)cc4)CC3)nn2)CC1,OQEVNNAGRSEBDJ-UHFFFAOYSA-N
-rxn:4:221965:227464,CCCCSc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cn1,AOTOOXFDDRGLOO-UHFFFAOYSA-N
-rxn:4:221965:227470,CCCOc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(C)n1,DNPGALHSOBZDEP-UHFFFAOYSA-N
-rxn:4:221965:227477,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccn1,SESCEADRIAWPEU-UHFFFAOYSA-N
-rxn:4:221965:227482,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(Cl)cn1,ZFDFXSSYWLHYTG-UHFFFAOYSA-N
-rxn:4:221965:227489,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)C)c(C#N)c5)cc4)CC3)nn2)CC1,OCNRSEOILRJQET-UHFFFAOYSA-N
-rxn:4:221965:227490,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)(C)C)nc5)cc4)CC3)nn2)CC1,GGQCDHYEWVVIGV-UHFFFAOYSA-N
-rxn:4:221965:227496,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)CC)cc5F)cc4)CC3)nn2)CC1,BDTAZRLKKSRMFG-UHFFFAOYSA-N
-rxn:4:221965:227498,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)C)cc5OC)cc4)CC3)nn2)CC1,LSKXQMXVZRLKDT-UHFFFAOYSA-N
-rxn:4:221965:227500,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)CC)c(Cl)c5)cc4)CC3)nn2)CC1,LZPXWGAFLDMPLZ-UHFFFAOYSA-N
-rxn:4:221965:227502,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,WYTCWYUTINYTQI-UHFFFAOYSA-N
-rxn:4:221965:227511,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OC(C)C)c5Cl)cc4)CC3)nn2)CC1,YWWWZSVKCRNIQR-UHFFFAOYSA-N
-rxn:4:221965:227512,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)ncc5C)cc4)CC3)nn2)CC1,KRJFTUPTPNKPES-UHFFFAOYSA-N
-rxn:4:221965:227516,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC(C)C)ncc5Cl)cc4)CC3)nn2)CC1,SWBIDWCNQWPEMW-UHFFFAOYSA-N
-rxn:4:221965:227520,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC(C)C)cc5F)cc4)CC3)nn2)CC1,RDFYBDUIWNXWEB-UHFFFAOYSA-N
-rxn:4:221965:227523,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)ncc5C(=O)OC)cc4)CC3)nn2)CC1,JAVNFPAHYSCZOF-UHFFFAOYSA-N
-rxn:4:221965:227539,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)cc(Cl)cc5OC)cc4)CC3)nn2)CC1,DPZRIZKSGCJBFB-UHFFFAOYSA-N
-rxn:4:221965:227560,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(C(F)F)c5)cc4)CC3)nn2)CC1,COPHIXWUNRMBOH-UHFFFAOYSA-N
-rxn:4:221965:227561,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(OC)cc5F)cc4)CC3)nn2)CC1,IHNAKWFAJCTGAH-UHFFFAOYSA-N
-rxn:4:221965:227562,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)ccc(OC)c5OC)cc4)CC3)nn2)CC1,GVQLVDLVOGXSKF-UHFFFAOYSA-N
-rxn:4:221965:227565,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cc(OC)c5OC)cc4)CC3)nn2)CC1,VAXLDXDINGOXTK-UHFFFAOYSA-N
-rxn:4:221965:227567,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OC)c(OC)c5)cc4)CC3)nn2)CC1,NAFIIBXIVLDQAE-UHFFFAOYSA-N
-rxn:4:221965:227573,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(F)c1F,OTTUOEHKZBHJKP-UHFFFAOYSA-N
-rxn:4:221965:227587,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OC)c(OC)c5)cc4)CC3)nn2)CC1,IGYMLDRPNSJRKJ-UHFFFAOYSA-N
-rxn:4:221965:227631,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(C)(C)C)nc5Cl)cc4)CC3)nn2)CC1,BAKUWUPJVHMGRJ-UHFFFAOYSA-N
-rxn:4:221965:227655,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)c(N(C)C)c5)cc4)CC3)nn2)CC1,OTANEMYJEDBDMV-UHFFFAOYSA-N
-rxn:4:221965:227664,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,RZUBHNMCTDIMNF-UHFFFAOYSA-N
-rxn:4:221965:227670,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C(C)(F)F)c5)cc4)CC3)nn2)CC1,RQBXRDZOPVKIAZ-UHFFFAOYSA-N
-rxn:4:221965:227699,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)nc(OC)c5Cl)cc4)CC3)nn2)CC1,LGZLABKQYNDAGN-UHFFFAOYSA-N
-rxn:4:221965:227723,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(F)F)c(Cl)c5)cc4)CC3)nn2)CC1,DJUYPBXPMNCYKG-UHFFFAOYSA-N
-rxn:4:221965:227738,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)ncc5C)cc4)CC3)nn2)CC1,PFZZNUZDCMJHKI-UHFFFAOYSA-N
-rxn:4:221965:227770,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC)c([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,QFDFFGVWYCCCDV-UHFFFAOYSA-N
-rxn:4:221965:227773,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccnc5OC(F)(F)F)cc4)CC3)nn2)CC1,RCJUJFZNONMHPZ-UHFFFAOYSA-N
-rxn:4:221965:227775,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)nc5Cl)cc4)CC3)nn2)CC1,LJHCGUKSCLBGOA-UHFFFAOYSA-N
-rxn:4:221965:227802,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)c(F)c(F)c(F)c5F)cc4)CC3)nn2)CC1,WYNPTOBRCZGIHJ-UHFFFAOYSA-N
-rxn:4:221965:227803,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnn5S(=O)(=O)N(C)C)cc4)CC3)nn2)CC1,ADTZJFNLRRGBJJ-UHFFFAOYSA-N
-rxn:4:221965:227804,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])sc5[N+](=O)[O-])cc4)CC3)nn2)CC1,DNCZTSQSGBCXKS-UHFFFAOYSA-N
-rxn:4:221965:227808,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCCC6)cc4)CC3)nn2)CC1,HVRHDFQHELPYJJ-UHFFFAOYSA-N
-rxn:4:221965:227810,CCC(C)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,YQJPJELZTOFXAE-UHFFFAOYSA-N
-rxn:4:221965:227811,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(C)C)cc5)cc4)CC3)nn2)CC1,LPYICNZZYYLHTF-UHFFFAOYSA-N
-rxn:4:221965:227812,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CC(C)C)c5)cc4)CC3)nn2)CC1,OJPWUPRBLFOWDK-UHFFFAOYSA-N
-rxn:4:221965:227813,CCc1cccc(CC)c1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,SROMBUZRRGTVPV-UHFFFAOYSA-N
-rxn:4:221965:227814,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC6CC6)cc5)cc4)CC3)nn2)CC1,RKDDVTBWXWEUKF-UHFFFAOYSA-N
-rxn:4:221965:227815,CCC(C)c1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,OLIYJHSTMDPIDB-UHFFFAOYSA-N
-rxn:4:221965:227817,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CC(C)C)cc4)CC3)nn2)CC1,KIMUSZMZLAUAKX-UHFFFAOYSA-N
-rxn:4:221965:227819,CCc1cc(CC)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,ZQIWJPTWWYEITC-UHFFFAOYSA-N
-rxn:4:221965:227820,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)CC3)nn2)CC1,AKBJCJRBTRMHDB-UHFFFAOYSA-N
-rxn:4:221965:227821,CCc1c(C)cc(C)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,HZSBAKPXUKTZSE-UHFFFAOYSA-N
-rxn:4:221965:227822,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cccc5C(C)C)cc4)CC3)nn2)CC1,QXKFFPOMFZAXCO-UHFFFAOYSA-N
-rxn:4:221965:227824,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCC6)cc5)cc4)CC3)nn2)CC1,GPLHRDZRUOUWQZ-UHFFFAOYSA-N
-rxn:4:221965:227828,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6CC6)c5C)cc4)CC3)nn2)CC1,AWQHFXMWTDKTQZ-UHFFFAOYSA-N
-rxn:4:221965:227830,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C)CC6)cc5)cc4)CC3)nn2)CC1,UOZSSCFQHKLBSS-UHFFFAOYSA-N
-rxn:4:221965:227831,CCc1c(C)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C,LUKWAUWBQYNKRF-UHFFFAOYSA-N
-rxn:4:221965:227833,CCc1cc(C)cc(C)c1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,SBYNSMOREDZOQN-UHFFFAOYSA-N
-rxn:4:221965:227834,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)c(C)c5)cc4)CC3)nn2)CC1,ZSPCQVFWDDMTJZ-UHFFFAOYSA-N
-rxn:4:221965:227835,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(C6CC6)c5)cc4)CC3)nn2)CC1,LSLMZAOQFXTLMO-UHFFFAOYSA-N
-rxn:4:221965:227837,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(C6CC6)c5)cc4)CC3)nn2)CC1,XZSALDSHOUBVIP-UHFFFAOYSA-N
-rxn:4:221965:227841,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)c(C)cc(C)c5C)cc4)CC3)nn2)CC1,UYTDPMKAAPEVFB-UHFFFAOYSA-N
-rxn:4:221965:227861,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc6c(c5)CCCC6)cc4)CC3)nn2)CC1,DMBGSDAUKRURDP-UHFFFAOYSA-N
-rxn:4:221965:227867,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5OCCC6)cc4)CC3)nn2)CC1,GFLAHSNWPWSHIV-UHFFFAOYSA-N
-rxn:4:221965:227869,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CC(C)O6)cc4)CC3)nn2)CC1,MPQOZQRYAQMUFK-UHFFFAOYSA-N
-rxn:4:221965:227878,CCCCCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)s1,IAOKYHYPUAXDBR-UHFFFAOYSA-N
-rxn:4:221965:227879,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CCC#N)c5)cc4)CC3)nn2)CC1,CNIZSQPWXARBGG-UHFFFAOYSA-N
-rxn:4:221965:227880,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCC#N)cc5)cc4)CC3)nn2)CC1,ZCESFHAVECEUTA-UHFFFAOYSA-N
-rxn:4:221965:227881,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,RWMMRHGJTDBVDN-UHFFFAOYSA-N
-rxn:4:221965:227883,CCOCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,JHHCKLNSDIBELY-UHFFFAOYSA-N
-rxn:4:221965:227886,CCCOc1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,JMMFZUUCOFIOES-UHFFFAOYSA-N
-rxn:4:221965:227889,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CCOC)cc4)CC3)nn2)CC1,IQVXUXODFMAAHS-UHFFFAOYSA-N
-rxn:4:221965:227890,CCOCc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,QONYEGHGYCCQOP-UHFFFAOYSA-N
-rxn:4:221965:227891,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5CN(C)C)cc4)CC3)nn2)CC1,YBMTYWSOYNQULN-UHFFFAOYSA-N
-rxn:4:221965:227892,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(C)C)cc5)cc4)CC3)nn2)CC1,RIJANTFIISQWSZ-UHFFFAOYSA-N
-rxn:4:221965:227896,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5C=CC#N)cc4)CC3)nn2)CC1,VCHFANYDXBKYGV-UHFFFAOYSA-N
-rxn:4:221965:227897,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C=CC#N)c5)cc4)CC3)nn2)CC1,LZSUKTUYTXBTMB-UHFFFAOYSA-N
-rxn:4:221965:227901,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(C)C)nc5)cc4)CC3)nn2)CC1,XXKDWMYHYFUGCZ-UHFFFAOYSA-N
-rxn:4:221965:227902,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1C#N,AMFKFEXAFJOEOC-UHFFFAOYSA-N
-rxn:4:221965:227903,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N(C)CC)c5)cc4)CC3)nn2)CC1,WRAMMPLUEGSOFF-UHFFFAOYSA-N
-rxn:4:221965:227904,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)CC)cc5)cc4)CC3)nn2)CC1,MFPMUEABQAPNDC-UHFFFAOYSA-N
-rxn:4:221965:227905,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(CC(C)C)c5)cc4)CC3)nn2)CC1,UVZUWNPIUXRCCC-UHFFFAOYSA-N
-rxn:4:221965:227907,CCC(C)c1cncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,IJXQXGWEGOOPNH-UHFFFAOYSA-N
-rxn:4:221965:227913,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)cc5)cc4)CC3)nn2)CC1,FYQNLGGPPIBJSJ-UHFFFAOYSA-N
-rxn:4:221965:227919,CCOc1cc(C)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,XHKZKWDYEFKBSY-UHFFFAOYSA-N
-rxn:4:221965:227920,CCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,XDBAQHYTJNWTBD-UHFFFAOYSA-N
-rxn:4:221965:227922,CCc1cc(OC)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,VDEADCFIUFRRLD-UHFFFAOYSA-N
-rxn:4:221965:227926,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SC(C)C)cc5)cc4)CC3)nn2)CC1,DNQOEBXCIPTZDO-UHFFFAOYSA-N
-rxn:4:221965:227935,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1OC,OLFRMGPJYDLVET-UHFFFAOYSA-N
-rxn:4:221965:227937,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(SC(C)C)c5)cc4)CC3)nn2)CC1,ZQMAIOADTYTNDJ-UHFFFAOYSA-N
-rxn:4:221965:227938,CCOc1c(C)cccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,BIMGZTNETXABHF-UHFFFAOYSA-N
-rxn:4:221965:227940,CCc1cc(SC)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,MFOYSZZEIGHELV-UHFFFAOYSA-N
-rxn:4:221965:227941,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(COC)c5)cc4)CC3)nn2)CC1,STLULTBQHOUYBC-UHFFFAOYSA-N
-rxn:4:221965:227942,CCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(OC)c1,HBHREWWKHDEJIF-UHFFFAOYSA-N
-rxn:4:221965:227947,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(C#N)cc5C)cc4)CC3)nn2)CC1,USLHDZZVRRCIIW-UHFFFAOYSA-N
-rxn:4:221965:227950,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N(C)C)ccc5C)cc4)CC3)nn2)CC1,MOOPXLNRXVLTMK-UHFFFAOYSA-N
-rxn:4:221965:227951,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc([N+](C)(C)C)cc5)cc4)CC3)nn2)CC1,IMIHSVQROLXVIU-UHFFFAOYSA-N
-rxn:4:221965:227952,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(C#N)cc5C)cc4)CC3)nn2)CC1,JNWCFRQADARJLU-UHFFFAOYSA-N
-rxn:4:221965:227957,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)C)nc5C)cc4)CC3)nn2)CC1,ICFGJJZIQAOHOE-UHFFFAOYSA-N
-rxn:4:221965:227971,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnccc5C(C)(C)C)cc4)CC3)nn2)CC1,TZSSPLGJCXHKIB-UHFFFAOYSA-N
-rxn:4:221965:227973,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OC)c(C)c5)cc4)CC3)nn2)CC1,UIYMSFFTSKLFRZ-UHFFFAOYSA-N
-rxn:4:221965:227978,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)C)ccc5F)cc4)CC3)nn2)CC1,CGSFQPTXHXQLAR-UHFFFAOYSA-N
-rxn:4:221965:227990,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5C(C)C)cc4)CC3)nn2)CC1,FBGKWEDJJHMSSQ-UHFFFAOYSA-N
-rxn:4:221965:227993,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)ccc(OC)c5C)cc4)CC3)nn2)CC1,SXUDYUKKDPDDSJ-UHFFFAOYSA-N
-rxn:4:221965:227994,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)C)ccc5Cl)cc4)CC3)nn2)CC1,MGKDBQMZWHOIIV-UHFFFAOYSA-N
-rxn:4:221965:228003,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(SC)cc5C)cc4)CC3)nn2)CC1,LWDWJDPHMSZBAM-UHFFFAOYSA-N
-rxn:4:221965:228004,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)c(Cl)c5)cc4)CC3)nn2)CC1,VCMCJDRSGDFOJL-UHFFFAOYSA-N
-rxn:4:221965:228005,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(SC)cc5C)cc4)CC3)nn2)CC1,KEKMWBCIFSJPTG-UHFFFAOYSA-N
-rxn:4:221965:228006,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(C)cc5C)cc4)CC3)nn2)CC1,CCMXEYNHRRHEDH-UHFFFAOYSA-N
-rxn:4:221965:228022,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)ccc5C(C)C)cc4)CC3)nn2)CC1,DNFKVMNQQSCAPR-UHFFFAOYSA-N
-rxn:4:221965:228062,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc6c5CCCO6)cc4)CC3)nn2)CC1,WJYUZOLSDLFMMM-UHFFFAOYSA-N
-rxn:4:221965:228064,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc6c(c5)C(=O)CC6)cc4)CC3)nn2)CC1,FWKQZDCTTDQYHD-UHFFFAOYSA-N
-rxn:4:221965:228085,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCC#N)cc4)CC3)nn2)CC1,CTSPNMDRYCKQCA-UHFFFAOYSA-N
-rxn:4:221965:228087,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC#N)cc5)cc4)CC3)nn2)CC1,ZPAJKRGGFXGAOS-UHFFFAOYSA-N
-rxn:4:221965:228091,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(CC)CC)s5)cc4)CC3)nn2)CC1,CVWJCTQKBMIIQN-UHFFFAOYSA-N
-rxn:4:221965:228092,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N(CC)CC)cs5)cc4)CC3)nn2)CC1,RLBDHHDDJKLOFW-UHFFFAOYSA-N
-rxn:4:221965:228104,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C#N)cccc5C#N)cc4)CC3)nn2)CC1,GNTMQXXZKZUCKE-UHFFFAOYSA-N
-rxn:4:221965:228105,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N(C)CC)c5)cc4)CC3)nn2)CC1,TWHQOXNOCQULHU-UHFFFAOYSA-N
-rxn:4:221965:228129,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#N)cc5OC)cc4)CC3)nn2)CC1,WMOTYJSEWZEETQ-UHFFFAOYSA-N
-rxn:4:221965:228143,CCCc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,LNBNLLZCLXRBDF-UHFFFAOYSA-N
-rxn:4:221965:228153,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(OC)c5)cc4)CC3)nn2)CC1,URIJHTCWSHJHRH-UHFFFAOYSA-N
-rxn:4:221965:228154,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)cccc5OC)cc4)CC3)nn2)CC1,BXSDSFBRUHXRIZ-UHFFFAOYSA-N
-rxn:4:221965:228157,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)cc5OC)cc4)CC3)nn2)CC1,LGQQAMWHEPFDJU-UHFFFAOYSA-N
-rxn:4:221965:228165,CCOc1ccc(F)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,LUCGWQANFKRCKG-UHFFFAOYSA-N
-rxn:4:221965:228169,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,LDMQCIWXAMQBHR-UHFFFAOYSA-N
-rxn:4:221965:228171,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1F,OOVCJDBOTSNRKG-UHFFFAOYSA-N
-rxn:4:221965:228177,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5COC)cc4)CC3)nn2)CC1,VUFXWRXWPZMGOR-UHFFFAOYSA-N
-rxn:4:221965:228188,CCOc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,HPYIJGKPHFAKMI-UHFFFAOYSA-N
-rxn:4:221965:228195,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn(C(C)(C)C)nc5C)cc4)CC3)nn2)CC1,XSPYKLMZTGATSK-UHFFFAOYSA-N
-rxn:4:221965:228197,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(C)(C)C)nc5)cc4)CC3)nn2)CC1,HZEXRCSTSHPKEC-UHFFFAOYSA-N
-rxn:4:221965:228202,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(N(C)C)c5)cc4)CC3)nn2)CC1,GNSKRUMDAROEAM-UHFFFAOYSA-N
-rxn:4:221965:228205,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,YGBTZFPXWRKCML-UHFFFAOYSA-N
-rxn:4:221965:228206,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(N(C)C)c5)cc4)CC3)nn2)CC1,OGRPJBARYWQUDZ-UHFFFAOYSA-N
-rxn:4:221965:228211,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCC6)cs5)cc4)CC3)nn2)CC1,BPILTMJJGZIMRB-UHFFFAOYSA-N
-rxn:4:221965:228215,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(C#N)c5F)cc4)CC3)nn2)CC1,IGVNGUNLWGBIGI-UHFFFAOYSA-N
-rxn:4:221965:228231,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)C)cc5F)cc4)CC3)nn2)CC1,FUNNXZCLMBAYOO-UHFFFAOYSA-N
-rxn:4:221965:228233,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(C)=O)cc5C)cc4)CC3)nn2)CC1,JUHYTIZKVGSREM-UHFFFAOYSA-N
-rxn:4:221965:228244,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OC)cc5C)cc4)CC3)nn2)CC1,ZDASMOIDBWXIOR-UHFFFAOYSA-N
-rxn:4:221965:228249,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OC)c(Cl)c5)cc4)CC3)nn2)CC1,YEOIGXPTZBTZRK-UHFFFAOYSA-N
-rxn:4:221965:228251,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OC)cc5Cl)cc4)CC3)nn2)CC1,VCKZTVXZKFHQIJ-UHFFFAOYSA-N
-rxn:4:221965:228252,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)ccc(C)c5F)cc4)CC3)nn2)CC1,CZOUPDNRLRDYCJ-UHFFFAOYSA-N
-rxn:4:221965:228258,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)ccc(F)c5OC)cc4)CC3)nn2)CC1,ODHVSAXJTNJWBJ-UHFFFAOYSA-N
-rxn:4:221965:228260,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)(F)F)c5)cc4)CC3)nn2)CC1,AXYNVDZNLDLFGM-UHFFFAOYSA-N
-rxn:4:221965:228262,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(Cl)c5OC)cc4)CC3)nn2)CC1,HLFCMVTWFCWHMC-UHFFFAOYSA-N
-rxn:4:221965:228263,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(F)F)cc5)cc4)CC3)nn2)CC1,DHYOQPBKMDJYGV-UHFFFAOYSA-N
-rxn:4:221965:228264,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(C)cc5Cl)cc4)CC3)nn2)CC1,UJUNOKZHYFWBIE-UHFFFAOYSA-N
-rxn:4:221965:228271,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OC)cc5C)cc4)CC3)nn2)CC1,QDEZGWORFBRSHO-UHFFFAOYSA-N
-rxn:4:221965:228277,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)ccc(F)c5C)cc4)CC3)nn2)CC1,CMKVVYHSOZDFKP-UHFFFAOYSA-N
-rxn:4:221965:228302,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)nc(C#N)c5)cc4)CC3)nn2)CC1,BPTWNNGQEFJQGL-UHFFFAOYSA-N
-rxn:4:221965:228307,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N(C)OC)c5)cc4)CC3)nn2)CC1,FJCPAFSAFQZWOL-UHFFFAOYSA-N
-rxn:4:221965:228320,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(=O)OC)c5)cc4)CC3)nn2)CC1,QOOXXSFZWMWMRT-UHFFFAOYSA-N
-rxn:4:221965:228324,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)ncc5OC)cc4)CC3)nn2)CC1,YYPVETRATBJCFD-UHFFFAOYSA-N
-rxn:4:221965:228331,CCOc1nccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1Cl,IBKPJGGEUOCHJC-UHFFFAOYSA-N
-rxn:4:221965:228353,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)C)c(Cl)c5)cc4)CC3)nn2)CC1,VEORTIANTJVNCI-UHFFFAOYSA-N
-rxn:4:221965:228360,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(C)C)nc5Cl)cc4)CC3)nn2)CC1,POFBYODVEHBFQA-UHFFFAOYSA-N
-rxn:4:221965:228366,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)C)c(F)c5)cc4)CC3)nn2)CC1,AGYBIQSVMWECPL-UHFFFAOYSA-N
-rxn:4:221965:228370,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])cc4)CC3)nn2)CC1,FAXFEIKIKNPJGX-UHFFFAOYSA-N
-rxn:4:221965:228371,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C#N)c5F)cc4)CC3)nn2)CC1,BLMCQQMUPHECHQ-UHFFFAOYSA-N
-rxn:4:221965:228372,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C#N)cc5F)cc4)CC3)nn2)CC1,DGEDYTHRESCNOK-UHFFFAOYSA-N
-rxn:4:221965:228376,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C#N)c(F)c5)cc4)CC3)nn2)CC1,DNJOAYOPUQKJOY-UHFFFAOYSA-N
-rxn:4:221965:228378,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#N)c(F)c5F)cc4)CC3)nn2)CC1,UOIUGXALONKSER-UHFFFAOYSA-N
-rxn:4:221965:228380,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#N)c(Cl)c5F)cc4)CC3)nn2)CC1,KUKHMTUCMREARA-UHFFFAOYSA-N
-rxn:4:221965:228381,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc(C#N)cc5F)cc4)CC3)nn2)CC1,UTTIYNNODDPEGT-UHFFFAOYSA-N
-rxn:4:221965:228418,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(OC)c(Cl)c5)cc4)CC3)nn2)CC1,PNLOFWDIESYEHQ-UHFFFAOYSA-N
-rxn:4:221965:228431,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(F)c5SC)cc4)CC3)nn2)CC1,CTUGIRRRSINTSW-UHFFFAOYSA-N
-rxn:4:221965:228434,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)F)c(F)c5)cc4)CC3)nn2)CC1,CIEXFGMANWYQBO-UHFFFAOYSA-N
-rxn:4:221965:228436,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)ccc(F)c5Cl)cc4)CC3)nn2)CC1,XQQJHRBDNPQAEE-UHFFFAOYSA-N
-rxn:4:221965:228441,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(SC)c(F)c5Cl)cc4)CC3)nn2)CC1,IRCZAJLGBMNUQD-UHFFFAOYSA-N
-rxn:4:221965:228453,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CC(=O)OC)c5)cc4)CC3)nn2)CC1,AWOLKCUMPOAVLW-UHFFFAOYSA-N
-rxn:4:221965:228456,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(SC)nc5OC)cc4)CC3)nn2)CC1,JGDAQFCKCJXTKN-UHFFFAOYSA-N
-rxn:4:221965:228458,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(SC)nc5SC)cc4)CC3)nn2)CC1,NYDJVKLGQSGVDH-UHFFFAOYSA-N
-rxn:4:221965:228459,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC)nc5SC)cc4)CC3)nn2)CC1,OXFRMCXMRBHVOX-UHFFFAOYSA-N
-rxn:4:221965:228470,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)cc4)CC3)nn2)CC1,FNHLTXGJZDHAPS-UHFFFAOYSA-N
-rxn:4:221965:228471,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,LYIHOGXOADMFOB-UHFFFAOYSA-N
-rxn:4:221965:228479,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,ITYIQEWWSUDDBD-UHFFFAOYSA-N
-rxn:4:221965:228486,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,KGPZXZYHJHIYAV-UHFFFAOYSA-N
-rxn:4:221965:228500,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(F)(F)F)nc5)cc4)CC3)nn2)CC1,AHGIHTAREWTHQU-UHFFFAOYSA-N
-rxn:4:221965:228610,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C)s5)cc4)CC3)nn2)CC1,FVECXPQOENAKEA-UHFFFAOYSA-N
-rxn:4:221965:228677,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CC(C)C)c5)cc4)CC3)nn2)CC1,JMBFMAQGCXKXKY-UHFFFAOYSA-N
-rxn:4:221965:228693,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)CC)s5)cc4)CC3)nn2)CC1,QRJAJXFXIPKQKT-UHFFFAOYSA-N
-rxn:4:221965:228707,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(C(C)(C)C)c5)cc4)CC3)nn2)CC1,FQQNMMWZCQVYTM-UHFFFAOYSA-N
-rxn:4:221965:228713,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccn(C(C)(C)C)n5)cc4)CC3)nn2)CC1,AEJXCGXCCCVEEG-UHFFFAOYSA-N
-rxn:4:221965:228760,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C(C)(C)C)o5)cc4)CC3)nn2)CC1,WJARDTRYZZQSKZ-UHFFFAOYSA-N
-rxn:4:221965:228970,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)s5)cc4)CC3)nn2)CC1,PTDMAKSJONPTKF-UHFFFAOYSA-N
-rxn:4:221965:228971,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5csc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,VZTXYWQIGAHSJH-UHFFFAOYSA-N
-rxn:4:221965:228972,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)cs5)cc4)CC3)nn2)CC1,JSANDTWXESZTSL-UHFFFAOYSA-N
-rxn:4:221965:228975,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(C(F)(F)F)c5)cc4)CC3)nn2)CC1,IHJOKPMOUDVLRY-UHFFFAOYSA-N
-rxn:4:221980:223812,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)sc3n2)CC1,RCILDNIYGNAQMQ-UHFFFAOYSA-N
-rxn:4:221980:225880,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(C6CCOCC6)ncc5F)c4)sc3n2)CC1,XQLXETKGSUMSGM-UHFFFAOYSA-N
-rxn:4:221982:223077,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)cc6)cc5)no4)C3C2=O)cc1,RBZWSIYHJSXLMU-UHFFFAOYSA-N
-rxn:4:221982:224355,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC8(CC7)OCCO8)nc6)cc5)no4)C3C2=O)cc1,HIUPGEGPDIPJPD-UHFFFAOYSA-N
-rxn:4:221985:225984,Cn1cc(-c2nc3cnc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FJDCYIJRTRMQKO-OAQYLSRUSA-N
-rxn:4:222053:224375,CCc1cc(N2CCN(c3ncc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)cn3)CC2)nc(C(C)(C)C)n1,OXYZDKOMDLYMSP-UHFFFAOYSA-N
-rxn:4:222062:227819,CCc1cc(CC)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,DGHKGDYEFHLZBQ-UHFFFAOYSA-N
-rxn:4:222062:228649,Cc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,IMPZFIRFIBAFOV-UHFFFAOYSA-N
-rxn:4:222062:228726,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C#N)c4)cc3)CC2)n1,SZWWRORAWAVBHP-UHFFFAOYSA-N
-rxn:4:222062:228810,CSc1c(Cl)cccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XJFJKSXSMDHUCF-UHFFFAOYSA-N
-rxn:4:222084:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccccc6)C(=O)C54)n3)cc2)s1,VXOOEHKQWRHNHS-UHFFFAOYSA-N
-rxn:4:222087:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1-c1noc(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)n1,RBHFLQKAZHXWMO-UHFFFAOYSA-N
-rxn:4:222102:224659,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,LYDZQLUNLSXBSG-UHFFFAOYSA-N
-rxn:4:222107:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(N7CCN(C)CC7)cc6F)c5)no4)C3C2=O)cc1F,DEIZLVIOLBFOIN-UHFFFAOYSA-N
-rxn:4:222108:224317,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1F,DGMCHFDXKLXRAY-UHFFFAOYSA-N
-rxn:4:222108:225307,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,BQPFGOHQKJRYBU-UHFFFAOYSA-N
-rxn:4:222108:225982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,TYKPNUOASSHCMF-UHFFFAOYSA-N
-rxn:4:222164:223818,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)cn3)CC2)c1F,OSCSMCYDFRLJKX-UHFFFAOYSA-N
-rxn:4:222164:224573,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(N5CCCCC5C)cc4C#N)cn3)CC2)c1F,FYWLITDBCPUWSC-UHFFFAOYSA-N
-rxn:4:222194:224283,CC(C)(C)Oc1ncc(-c2cnc(N3CCN(c4nc(C(C)(C)C)nc5c4CCC5)CC3)nc2)c(OC(C)(C)C)n1,PMKWSQLVPOXCFZ-UHFFFAOYSA-N
-rxn:4:222264:222896,CN(C(=O)c1cncc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1,BGSZRXSKFBRUEA-UHFFFAOYSA-N
-rxn:4:222289:222511,O=C(NC1CCCCC1)c1cc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc([N+](=O)[O-])c1,GMPQCURHIXVBGY-UHFFFAOYSA-N
-rxn:4:222313:223828,CCN1CCN(c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)cc3)cc(C(F)(F)F)c2)CC1,IKKPPFVULBLXBG-UHFFFAOYSA-N
-rxn:4:222328:223834,Cc1cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)CC2)nc(N(C)C)n1,YWUSTZLBYRNLRX-UHFFFAOYSA-N
-rxn:4:222329:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)c2)CC1,LLZZDMYZFRKRPL-UHFFFAOYSA-N
-rxn:4:222379:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2[N+](=O)[O-])CC1,PYHZNFJVHIZABA-UHFFFAOYSA-N
-rxn:4:222380:222543,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C7(NC(=O)OC(C)(C)C)CC7)cc6)cn5)CC4C3)ncnc21,PQPSJOWFNYELBM-UHFFFAOYSA-N
-rxn:4:222389:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CLJRNSUGAQBFMD-UHFFFAOYSA-N
-rxn:4:222389:206665,CC(C)c1nc(N2CCCC2)sc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DOLQTJUSRBATPX-UHFFFAOYSA-N
-rxn:4:222513:205703,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C,HZSRRYSOPVAHGV-UHFFFAOYSA-N
-rxn:4:222523:175802,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CCC(=O)C(C)(C)C)cc2)c(C(F)(F)F)c1,WDYACJBIWHEWRX-UHFFFAOYSA-N
-rxn:4:222613:203854,CCCNS(=O)(=O)c1ccc(-c2nc(OC(C)(C)C)cc(C(C)(C)C)n2)c(C(F)(F)F)c1,SMOGDEXJFVWNFP-UHFFFAOYSA-N
-rxn:4:222623:215182,CCC(C)c1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc(C2CCNCC2)n1,IYEQZVNWRWVZMG-UHFFFAOYSA-N
-rxn:4:222744:174574,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc1)C2=O,KAYXXRWCORKQKD-UHFFFAOYSA-N
-rxn:4:222820:187211,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)cc1F,ADOPAQKVJCJGGR-UHFFFAOYSA-N
-rxn:4:222881:174518,CC(C)[Si](Oc1ccc(F)c(-c2ccc(C(=O)NC(C)(C)C)cc2F)c1)(C(C)C)C(C)C,WWCYCSVOFYJBAL-UHFFFAOYSA-N
-rxn:4:222891:185147,COc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCNCC2)n1,RCBKKYJULLJATQ-UHFFFAOYSA-N
-rxn:4:223080:187659,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,NFEMTLPHSXSFAS-UHFFFAOYSA-N
-rxn:4:223080:199707,CC(C)NS(=O)(=O)c1ccc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,KXFDRDAHKJENGX-UHFFFAOYSA-N
-rxn:4:223093:184230,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cncc(NS(=O)(=O)C(C)C)c4)ccc(c23)C1=O,DOIGRFZUXJEVIJ-UHFFFAOYSA-N
-rxn:4:223520:185621,CC(c1ccc(-c2ccc(-c3cc(C(=O)Oc4ccc(C(C)(C)C)cc4)c4ccccc4n3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,UIPGQPAWCAPTOG-UHFFFAOYSA-N
-rxn:4:223570:184820,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CCC(=O)OC(C)(C)C)nc3)c(F)ncc21,CNUMEUFAKFHTMP-UHFFFAOYSA-N
-rxn:4:223581:184553,COC(=O)c1cccc2cc(-c3ccc(C(C(=O)OC)C(=O)OC)nc3)n(C(=O)OC(C)(C)C)c12,XNDZTDADWKHTTD-UHFFFAOYSA-N
-rxn:4:223581:194796,COC(=O)c1cccc2cc(-c3ccc(-c4cc5c(n4-c4ccc(C)cc4C)CC(C)(C)CC5=O)cc3)n(C(=O)OC(C)(C)C)c12,XNMCCKHTUBZKRK-UHFFFAOYSA-N
-rxn:4:223641:178292,CCc1cc2c(cc1F)cc(-c1cccc(C3(C(=O)OC)CCC(=O)CC3)c1)n2C(=O)OC(C)(C)C,RIFLRKHLSMQQBB-UHFFFAOYSA-N
-rxn:4:223671:187352,CC(C)[Si](c1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)s1)(C(C)C)C(C)C,QHVJZXDLHCWIBP-UHFFFAOYSA-N
-rxn:5:177180:223061:223064,CCOC(=O)c1c(C)cc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(C2CCNCC2)nc1F,WKODYZPYMKMJNH-UHFFFAOYSA-N
-rxn:5:177190:225657:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCOCC3)c(C)c2)c1,ZOSRFQGPKGRLAK-UHFFFAOYSA-N
-rxn:5:177190:225805:225987,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,KOSKNVGDOGODMJ-UHFFFAOYSA-N
-rxn:5:177190:226452:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3OCCCO3)cc2)c1,RUBQMKTWTFYREY-UHFFFAOYSA-N
-rxn:5:177190:226571:225926,CCS(=O)(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2cnn(CC3CCOCC3)c2)c1,FLSGBOOANWMGRS-UHFFFAOYSA-N
-rxn:5:177191:223004:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)c(F)c4)c3)c(F)c2)CCC1,XAAASHQHWHKTFZ-UHFFFAOYSA-N
-rxn:5:177191:223006:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2)CCC1,MJYLCIIZEQQEKI-UHFFFAOYSA-N
-rxn:5:177193:222987:223065,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)cc1-c1ccc(N2CCNCC2)cc1F,HIXOBNWTJZUTEX-UHFFFAOYSA-N
-rxn:5:177373:227804:225677,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,NKFNRAGRNVPMGG-UHFFFAOYSA-N
-rxn:5:177450:225934:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OCC1CCC1,DBGDOFIRZCRXNW-UHFFFAOYSA-N
-rxn:5:177729:225438:223062,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cnc(C4CCNCC4)cc3F)c2)cc1)N1CCCC1,LUWFIQWCFYHTTI-UHFFFAOYSA-N
-rxn:5:177729:225849:223294,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1csc(N2CCNCC2)n1,JHMJWXYSYHHAON-UHFFFAOYSA-N
-rxn:5:177730:223054:226645,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,QXLVRRIDLDFNDP-UHFFFAOYSA-N
-rxn:5:177730:223054:227375,CC(c1ccc(-c2ccc(-c3ccc(N4CCCC4)nc3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,DMETXPKYRSMTQA-UHFFFAOYSA-N
-rxn:5:177730:223131:223054,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,SZNUOKUKOPKEKH-UHFFFAOYSA-N
-rxn:5:177730:225515:226794,CC1(C)COc2cccc(-c3ccc(-c4cnc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)c3)c2OC1,RIHWCWHIIBYHRC-UHFFFAOYSA-N
-rxn:5:177731:225439:223133,CC(c1cccc(-c2cc(-c3ccccc3N3CCNCC3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,RGDJXWDXTKNWTH-UHFFFAOYSA-N
-rxn:5:177731:225439:223138,CC(c1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,YDOWFBNTGFVSLO-UHFFFAOYSA-N
-rxn:5:177732:223056:223065,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,HDDFQPDZOLTTEC-UHFFFAOYSA-N
-rxn:5:177732:226330:223064,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCCC1,PGKYUTBBIWHFFD-UHFFFAOYSA-N
-rxn:5:177733:223062:226679,CC(C)(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2cnc(N3CCCC3)cc2F)c1,MRHICFRJQSJFBD-UHFFFAOYSA-N
-rxn:5:177736:225439:223133,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccccc2N2CCNCC2)c1)N1CCCC1,PSFYKDRGRXWOPS-UHFFFAOYSA-N
-rxn:5:177736:225976:225982,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,BQJQYGUIQAOTNT-UHFFFAOYSA-N
-rxn:5:177850:223138:226734,CCOc1ccc(-c2ccnc(C3CCNCC3)c2)c(C2OCCO2)c1-c1cccc(S(=O)(=O)N(C)C)c1,NXQJZKNENSQISU-UHFFFAOYSA-N
-rxn:5:177850:223259:223064,CCOc1ccc(-c2cnc(NC(C)=O)cc2C)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1F,NRAHTRYBHUQVQW-UHFFFAOYSA-N
-rxn:5:177850:226572:222409,CCOc1ccc(-c2cnc(OC3CCCC3)nc2)c(C2OCCO2)c1-c1ccc(OC)c(S(N)(=O)=O)c1,GMSQYGHVMVEBHA-UHFFFAOYSA-N
-rxn:5:177850:226572:227803,CCOc1ccc(-c2cnc(OC3CCCC3)nc2)c(C2OCCO2)c1-c1ccnn1S(=O)(=O)N(C)C,WTYHTRSXNTZWCP-UHFFFAOYSA-N
-rxn:5:177851:226426:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCC(C)CC2)s1,ODBHKFYRLWLRMT-UHFFFAOYSA-N
-rxn:5:177891:223295:227449,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)c1,RWOQDBVAHCLIGD-UHFFFAOYSA-N
-rxn:5:177891:227438:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,QYVDWVYNPUONDJ-UHFFFAOYSA-N
-rxn:5:177891:227449:226661,CN1CCN(c2csc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCOCC4)s3)c2)CC1,QLJJYSCEDIGENH-UHFFFAOYSA-N
-rxn:5:177891:227452:223294,O=C(SC1CS(=O)(=O)CC1c1csc(N2CCNCC2)n1)c1ccccc1-c1cccc(C2OCCO2)c1,PGFUCZJRCKZFDU-UHFFFAOYSA-N
-rxn:5:177891:227517:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1ccc(OC2COC2)nc1,FPTVVQXJYBFHAX-UHFFFAOYSA-N
-rxn:5:177891:227654:227126,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOC2)cc1)c1ccccc1-c1ccc(C2OCCO2)nc1,UUFVOHKUSRVCIN-UHFFFAOYSA-N
-rxn:5:177891:227710:223140,CS(=O)(=O)Oc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)cc1,XRCVOKJYYVKZQV-UHFFFAOYSA-N
-rxn:5:177891:228321:227657,COC(=O)c1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(N3CCOCC3)s2)c1,RNAYBHXDFQCFTM-UHFFFAOYSA-N
-rxn:5:177891:228878:226450,CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnn(C4COC4)c3)c2)OCCO1,JCVHISWPBYDARZ-UHFFFAOYSA-N
-rxn:5:177891:228879:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)OCCO1,RFBIVRRYYYMVAF-UHFFFAOYSA-N
-rxn:5:177891:228974:226447,CS(=O)(=O)n1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCOCC3)c2)cn1,HGGXKEBXONYSRZ-UHFFFAOYSA-N
-rxn:5:177970:225674:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3cnc(C4CCCCC4)cc3F)c2)c([N+](=O)[O-])s1,QQIJZBUUSCDMFH-UHFFFAOYSA-N
-rxn:5:178118:227353:225498,COc1cc(C)c(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCCCO2)c(OC)c1,WFGPNUAQPRBGDY-UHFFFAOYSA-N
-rxn:5:178119:227065:225441,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C(=O)C(C)C)c2)c1-c1cc(C2CC2)cnc1C(C)(C)C,ADXSCPJNWZTFMH-UHFFFAOYSA-N
-rxn:5:178122:223006:227804,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,ZZDVFWQABNTUPJ-UHFFFAOYSA-N
-rxn:5:178226:225976:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccnc(N3CCOCC3)c2F)c1,CLFLXOGNZWBELJ-UHFFFAOYSA-N
-rxn:5:178226:227040:225806,Cc1ccc(OC(C)C)c(-c2c(OCC3CCCCC3)cccc2-c2cnc(OC3CCCC3)cc2F)c1,ATDVWFRUVZHHEP-UHFFFAOYSA-N
-rxn:5:178278:225633:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,AITQPTWZFOQIHX-UHFFFAOYSA-N
-rxn:5:178295:223018:227812,COC(=O)C1(c2cc(-c3cccc(CC(C)C)c3)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)CCC(=O)CC1,VORFUPXXUAAMIO-UHFFFAOYSA-N
-rxn:5:178295:223270:227816,CCCc1ccc(-c2ccc(-c3ccc(F)cc3NC(C)=O)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,OZUOGUSSRUNMIV-UHFFFAOYSA-N
-rxn:5:178295:223271:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2ccc(F)c(NC(C)=O)c2)CCC(=O)CC1,JVONLQLMIKXOCG-UHFFFAOYSA-N
-rxn:5:178295:223357:226151,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC(C)C)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,ZHNYIZHIDOKOKD-UHFFFAOYSA-N
-rxn:5:178295:225436:228518,CC#Cc1ccc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,XBAVTMPLUKLJSN-UHFFFAOYSA-N
-rxn:5:178295:225450:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,RTBARORIJGFZHE-UHFFFAOYSA-N
-rxn:5:178295:225507:227910,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,RUZGSLWCFFYYTF-UHFFFAOYSA-N
-rxn:5:178295:225514:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2cccc3c2OCC2(CC2)CO3)CCC(=O)CC1,QIUHBUNAKKVGIQ-UHFFFAOYSA-N
-rxn:5:178295:225593:227910,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PLGIKZKPFTZNOX-UHFFFAOYSA-N
-rxn:5:178295:225886:226925,COC(=O)C1(c2cc(-c3cc(C4CC4)cc(C)c3C)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,PRDINECKHZFNFG-UHFFFAOYSA-N
-rxn:5:178295:226059:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,TXYWURLPVQONTE-UHFFFAOYSA-N
-rxn:5:178295:226062:229054,COCc1cc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cs1,MQKDBGLXXCHVGP-UHFFFAOYSA-N
-rxn:5:178295:226067:223421,CNC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,YAVSNKSQEAZKNU-UHFFFAOYSA-N
-rxn:5:178295:226068:225418,CCOc1ccc2cc(-c3ccc(-c4c(C)cc(C(C)(C)C)cc4C)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2c1,QNINJDUJKWRNNO-UHFFFAOYSA-N
-rxn:5:178295:226068:227832,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,RDSKKCSEBNLCSB-UHFFFAOYSA-N
-rxn:5:178295:226069:227312,CCC(C)c1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,LNUQPSNKGJSNOM-UHFFFAOYSA-N
-rxn:5:178295:226079:226342,COC(=O)c1c(C)cc(-c2ccc(-c3cc4cc(C(C)C)ccc4s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,YXGJTXOIWSZUOF-UHFFFAOYSA-N
-rxn:5:178295:226085:228180,COCc1cc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,GCDOKXUSVDVLCG-UHFFFAOYSA-N
-rxn:5:178295:226140:228510,COC(=O)C1(c2cc(-c3ccccc3C(C)C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,PCGHNHBUKQXRDF-UHFFFAOYSA-N
-rxn:5:178295:226150:228567,CCC(C)c1sccc1-c1ccc(-c2cccc(SC3CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WIADRJONDCBIEA-UHFFFAOYSA-N
-rxn:5:178295:226154:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,LSWKXTRLAVXZSA-UHFFFAOYSA-N
-rxn:5:178295:226154:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,LUMHPUFIJVLXIC-UHFFFAOYSA-N
-rxn:5:178295:226154:228839,COC(=O)C1(c2cc(-c3cc(F)cc(C)c3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,XWNBTWBSBDNCQD-UHFFFAOYSA-N
-rxn:5:178295:226188:228918,COC(=O)C1(c2cc(-c3cnccc3C(F)F)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CCC(=O)CC1,WTVNLMVACSPRDK-UHFFFAOYSA-N
-rxn:5:178295:226330:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HRBPCOWNOPCXPD-UHFFFAOYSA-N
-rxn:5:178295:226342:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MEOKMTDBPRGQQO-UHFFFAOYSA-N
-rxn:5:178295:226461:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,NLVYLCSJBRBUJH-UHFFFAOYSA-N
-rxn:5:178295:226576:228606,CCc1ccc(F)c(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FZOUKKPZIZHXMA-UHFFFAOYSA-N
-rxn:5:178295:226581:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MZHJKSXCNGBIHU-UHFFFAOYSA-N
-rxn:5:178295:226912:227950,COC(=O)C1(c2cc(-c3cc(N(C)C)ccc3C)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,INKMBFRUNOBUKA-UHFFFAOYSA-N
-rxn:5:178295:226913:228005,CCc1cc(-c2ccc(-c3cc(C)c(SC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,BEALNAVQXFKLQC-UHFFFAOYSA-N
-rxn:5:178295:226914:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,OJCUVZOSJMDAHK-UHFFFAOYSA-N
-rxn:5:178295:226914:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ACVVFQMMXGVFDE-UHFFFAOYSA-N
-rxn:5:178295:226966:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,LIHMWXYOABTKOB-UHFFFAOYSA-N
-rxn:5:178295:226969:228239,COC(=O)C1(c2cc(-c3cc(C)c(OC)nc3C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,KHOOHPWAGJCTDM-UHFFFAOYSA-N
-rxn:5:178295:226969:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,TUQVUDKROHUATE-UHFFFAOYSA-N
-rxn:5:178295:226971:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,RIYHYXUFICWLIQ-UHFFFAOYSA-N
-rxn:5:178295:226974:227329,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3OC)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,AGIQRCGOYYXUJK-UHFFFAOYSA-N
-rxn:5:178295:226974:228112,COC(=O)C1(c2cc(-c3cc(C#N)ccc3OC)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,BSSDPLSCYSBJHU-UHFFFAOYSA-N
-rxn:5:178295:227022:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(CN4CCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XKGYOMRIHIIUGW-UHFFFAOYSA-N
-rxn:5:178295:227023:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MGKMKUREQJLLFZ-UHFFFAOYSA-N
-rxn:5:178295:227028:227910,CCC(C)c1ccc(-c2ccc(-c3cccc(C4(C#N)CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,MDTDLIUEBWKDDN-UHFFFAOYSA-N
-rxn:5:178295:227038:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,JJPOBFHUKCAIHQ-UHFFFAOYSA-N
-rxn:5:178295:227041:228428,CCOc1cc(C)c(-c2ccc(-c3cc(OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,CHFJYSXXDFXEMY-UHFFFAOYSA-N
-rxn:5:178295:227043:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2ccc(OC(C)C)cc2C)CCC(=O)CC1,CZLSVPICNUKKFG-UHFFFAOYSA-N
-rxn:5:178295:227045:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,ZGDJYNQSKKCPQI-UHFFFAOYSA-N
-rxn:5:178295:227045:228021,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)=O)c3)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,OIRRLSOFTVIBBZ-UHFFFAOYSA-N
-rxn:5:178295:227049:227051,CCOc1c(C)cc(-c2ccc(-c3ccc(C(=O)CC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,GBGFHDGQCDDBOR-UHFFFAOYSA-N
-rxn:5:178295:227052:226913,CCc1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,GRXYRCFGQOKZAP-UHFFFAOYSA-N
-rxn:5:178295:227052:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,XPSCVVNQLRNJCI-UHFFFAOYSA-N
-rxn:5:178295:227052:227870,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CC4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,GXQOEGIZOWLADG-UHFFFAOYSA-N
-rxn:5:178295:227054:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(C3CC3)c(OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,CEWHAVPCFMYZIF-UHFFFAOYSA-N
-rxn:5:178295:227059:228383,COC(=O)C1(c2cc(-c3cnc(C(F)F)c(C)c3)ccc2-c2ccc(OC)c(C(C)C)c2)CCC(=O)CC1,SLDAJCOCCICIPL-UHFFFAOYSA-N
-rxn:5:178295:227065:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,MOGCDXVXMXJKQN-UHFFFAOYSA-N
-rxn:5:178295:227069:226913,CCc1cc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,NFTQGOSQDIYDNV-UHFFFAOYSA-N
-rxn:5:178295:227071:227920,CCC(=O)c1ccc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NRCJGHLVANMRIP-UHFFFAOYSA-N
-rxn:5:178295:227075:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,NIEMMGDGFHGEMR-UHFFFAOYSA-N
-rxn:5:178295:227075:228241,COC(=O)C1(c2cc(-c3ccc(F)c(C(C)=O)c3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,PWRAYAPKLWPSRW-UHFFFAOYSA-N
-rxn:5:178295:227102:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,QDZPTVIXEBSAKS-UHFFFAOYSA-N
-rxn:5:178295:227102:228721,COC(=O)C1(c2cc(-c3ccnn3C(C)(C)C)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,YSHSHGINCFEWLL-UHFFFAOYSA-N
-rxn:5:178295:227286:227834,COC(=O)C1(c2cc(-c3ccc(C4CC4)c(C)c3)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,UYXKXTKAEFVDMF-UHFFFAOYSA-N
-rxn:5:178295:227304:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cnc(OC(C)C)cc2C)CCC(=O)CC1,LAFCIPWMWWCMSS-UHFFFAOYSA-N
-rxn:5:178295:227309:227921,CCC(C)c1cc(-c2ccc(-c3cccc(C(C)OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,SFGSGJYGWKMROB-UHFFFAOYSA-N
-rxn:5:178295:227309:227984,CCC(C)c1cc(-c2ccc(-c3ccc(OC)c(C)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,BVLXTRYNKKUKSH-UHFFFAOYSA-N
-rxn:5:178295:227313:226968,CCC(C)c1cc(-c2ccc(-c3ccc4c(c3)OC(C)(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,CFJURBVYRYPQON-UHFFFAOYSA-N
-rxn:5:178295:227314:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc(CC(C)C)nc2F)CCC(=O)CC1,RNXSHWVTGWGPHE-UHFFFAOYSA-N
-rxn:5:178295:227319:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(CC(C)C)ncc2F)CCC(=O)CC1,HHUOAXOMGIFLFT-UHFFFAOYSA-N
-rxn:5:178295:227325:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(OC(C)(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HJBDVVFRCCHXIK-UHFFFAOYSA-N
-rxn:5:178295:227326:227971,COC(=O)c1ccc(C)c(-c2ccc(-c3cnccc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DHWQAHHSKQYNEV-UHFFFAOYSA-N
-rxn:5:178295:227329:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,BSAFJVLUBKSTJP-UHFFFAOYSA-N
-rxn:5:178295:227337:227816,CCCc1ccc(-c2ccc(-c3cc(F)ccc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RNRHAPPVZPDRJY-UHFFFAOYSA-N
-rxn:5:178295:227339:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,VFXLMQLTDWYKBO-UHFFFAOYSA-N
-rxn:5:178295:227340:227932,COCc1ccc(C)c(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NYSWRTJWVPUALR-UHFFFAOYSA-N
-rxn:5:178295:227353:228020,COC(=O)C1(c2cc(-c3c(F)cccc3C3CC3)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,FHOIRTUHFMPKBF-UHFFFAOYSA-N
-rxn:5:178295:227415:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,SRTGJUVTEYYJCP-UHFFFAOYSA-N
-rxn:5:178295:227508:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)nc(C(=O)OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,XLDKIDPKLUQXJG-UHFFFAOYSA-N
-rxn:5:178295:227517:228974,COC(=O)C1(c2cc(-c3cnn(S(C)(=O)=O)c3)ccc2-c2ccc(OC3COC3)nc2)CCC(=O)CC1,PFKJWHRLYXAVPF-UHFFFAOYSA-N
-rxn:5:178295:227554:227909,CCC(C)c1cc(-c2ccc(-c3cccc(F)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,ODRSNJRALDUWFU-UHFFFAOYSA-N
-rxn:5:178295:227569:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2c(OC)ccc(F)c2OC)CCC(=O)CC1,IOCNYFWLUHEBJC-UHFFFAOYSA-N
-rxn:5:178295:227591:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,UUPHJPFTHQHNFW-UHFFFAOYSA-N
-rxn:5:178295:227591:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,XUCCNHYGLUFGMG-UHFFFAOYSA-N
-rxn:5:178295:227664:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C)cc(C(F)(F)F)c2)CCC(=O)CC1,PCZZEKHNEZGZLH-UHFFFAOYSA-N
-rxn:5:178295:227696:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(=O)OC)nc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JAOJXKUOIXMUIJ-UHFFFAOYSA-N
-rxn:5:178295:227704:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C(F)F)ncc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,BVZVWYSJJKAKBZ-UHFFFAOYSA-N
-rxn:5:178295:227713:227870,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CC4)ccc2-c2cc(F)ccc2OC(F)F)CCC(=O)CC1,RDBHMLSJLGEEPW-UHFFFAOYSA-N
-rxn:5:178295:227724:228179,COCc1cc(F)cc(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SRDQIBONAQRXKA-UHFFFAOYSA-N
-rxn:5:178295:227808:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,KJDLOESVQXXHTG-UHFFFAOYSA-N
-rxn:5:178295:227808:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,BWRYHLQRWIZUJG-UHFFFAOYSA-N
-rxn:5:178295:227808:227566,COC(=O)C1(c2cc(-c3ccc(OC)c(F)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,VLAZTAZMPMTIBX-UHFFFAOYSA-N
-rxn:5:178295:227810:227521,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)cnc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,UTTMPZGEACOAOP-UHFFFAOYSA-N
-rxn:5:178295:227811:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(CC(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WCDODJXSUSTMQK-UHFFFAOYSA-N
-rxn:5:178295:227813:227705,CCc1cccc(CC)c1-c1ccc(-c2cnc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FEFWZZKGTDTJEF-UHFFFAOYSA-N
-rxn:5:178295:227815:225607,CCC(C)c1ccccc1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1C1(C(=O)OC)CCC(=O)CC1,HVBCGDBRDLALKE-UHFFFAOYSA-N
-rxn:5:178295:227816:227045,CCCc1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,BPYZYPPUCNYTOH-UHFFFAOYSA-N
-rxn:5:178295:227818:227084,CCC(C)c1cccc(-c2ccc(-c3ccc(C(C)(C)C)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JJPRSMMVJIXAMF-UHFFFAOYSA-N
-rxn:5:178295:227821:226912,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)cc(CC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,TYWANXGTENXBMV-UHFFFAOYSA-N
-rxn:5:178295:227821:227592,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(F)cc(OC)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,JOADWPKWBWMIGU-UHFFFAOYSA-N
-rxn:5:178295:227823:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccccc2C(C)(C)C)CCC(=O)CC1,CUHQFSWRPUBNSU-UHFFFAOYSA-N
-rxn:5:178295:227831:227076,CCc1c(C)cc(-c2ccc(-c3cc(C(C)CC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,CEGNADPMNIPLMT-UHFFFAOYSA-N
-rxn:5:178295:227833:226144,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,GCTNERFFFYIYGH-UHFFFAOYSA-N
-rxn:5:178295:227836:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(C)cc2C2CC2)CCC(=O)CC1,FKQOAKRNEOAMFF-UHFFFAOYSA-N
-rxn:5:178295:228066:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)OCCO3)CCC(=O)CC1,GHASNRPJXJLGAN-UHFFFAOYSA-N
-rxn:5:178295:228146:226589,CCc1cncc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,PWHVXOBIIXEBKL-UHFFFAOYSA-N
-rxn:5:178295:228160:227568,CCOc1cccc(F)c1-c1ccc(-c2c(F)cc(OC)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,JCPJVMHTKWCOKN-UHFFFAOYSA-N
-rxn:5:178295:228177:226215,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)CC/C3=N\OC)cc1C1(C(=O)OC)CCC(=O)CC1,NYODQIAFACNQTF-VBMGMRCRSA-N
-rxn:5:178295:228178:227529,COCc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YOZLHBLPDPNDSA-UHFFFAOYSA-N
-rxn:5:178295:228181:227069,COCc1cc(F)ccc1-c1ccc(-c2ccc(OC)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,IMCWKFFOZGGMIK-UHFFFAOYSA-N
-rxn:5:178295:228189:227298,CCSc1ccc(F)c(-c2ccc(-c3cc(F)ccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ACQNHIDESQKQAE-UHFFFAOYSA-N
-rxn:5:178295:228247:223141,COC(=O)C1(c2cc(-c3cncc(C4CCNCC4)c3)ccc2-c2cc(C(C)=O)ccc2F)CCC(=O)CC1,RYTACNWSVSCMSN-UHFFFAOYSA-N
-rxn:5:178295:228257:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,ICSSAATUYWAXIF-UHFFFAOYSA-N
-rxn:5:178295:228275:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,MYKVFKDUANMVNJ-UHFFFAOYSA-N
-rxn:5:178295:228344:227025,CCc1ncc(C2CC2)cc1-c1ccc(-c2ccc(SC(F)F)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,LTRLQVGFJQPZEW-UHFFFAOYSA-N
-rxn:5:178295:228345:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C)sc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FSHRHIFZJNHHJF-UHFFFAOYSA-N
-rxn:5:178295:228346:227906,CCC(C)c1ncccc1-c1ccc(-c2cc(C(=O)OC)sc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,SDIKUGLODYNTAV-UHFFFAOYSA-N
-rxn:5:178295:228393:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(F)cc(F)c2OC)CCC(=O)CC1,KUPZULIEWFHPKS-UHFFFAOYSA-N
-rxn:5:178295:228400:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(F)c(F)c2OC)CCC(=O)CC1,GCSMRXJJGDRBFZ-UHFFFAOYSA-N
-rxn:5:178295:228415:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2cc(F)ccc2C(F)F)CCC(=O)CC1,MXYURFJNHXOBTN-UHFFFAOYSA-N
-rxn:5:178295:228510:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccccc2C(C)C)CCC(=O)CC1,AKBURPHWYNOVCH-UHFFFAOYSA-N
-rxn:5:178295:228519:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2c(C)cc(C)cc2C)CCC(=O)CC1,QEBAQLHTWGCCTQ-UHFFFAOYSA-N
-rxn:5:178295:228546:226589,CCCc1cnccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,WPWNQHVJHUFFRV-UHFFFAOYSA-N
-rxn:5:178295:228562:226189,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCCC4)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ASRBPKHHHXPDJD-UHFFFAOYSA-N
-rxn:5:178295:228562:227076,CCC(C)c1csc(-c2ccc(-c3cc(C(C)CC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XISLMYLMTUYBNI-UHFFFAOYSA-N
-rxn:5:178295:228564:223271,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,USYZWDWOYOHKHE-UHFFFAOYSA-N
-rxn:5:178295:228600:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(OC)cc2C)CCC(=O)CC1,YFRCJMWKJOJWIX-UHFFFAOYSA-N
-rxn:5:178295:228630:226589,CCc1cc(F)cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XKJQRHQUAKUWNT-UHFFFAOYSA-N
-rxn:5:178295:228677:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cnn(CC(C)C)c2)CCC(=O)CC1,FHUVKUYLUZJAKB-UHFFFAOYSA-N
-rxn:5:178295:228678:223284,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2-c2ccnn2CC(C)C)CCC(=O)CC1,PPNZVSSNZRBCMZ-UHFFFAOYSA-N
-rxn:5:178295:228678:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccnn2CC(C)C)CCC(=O)CC1,AOSLLGXSNZEVRO-UHFFFAOYSA-N
-rxn:5:178295:228929:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cncc(C(F)F)c2)CCC(=O)CC1,JXHCODVBADXXNG-UHFFFAOYSA-N
-rxn:5:178295:229015:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccsc2C(C)C)CCC(=O)CC1,XCZALHDNZMVXFZ-UHFFFAOYSA-N
-rxn:5:178295:229090:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2csc(C(C)=O)c2)CCC(=O)CC1,ATNVWFPFFHKZDZ-UHFFFAOYSA-N
-rxn:5:178313:223018:227065,CC(C)C(=O)c1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,DLYMJLGFUDNAGY-UHFFFAOYSA-N
-rxn:5:178313:226582:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C(=O)N(C)C)cc1F,GJQAVVQWVXYLDA-UHFFFAOYSA-N
-rxn:5:178313:227048:223018,CC(C)C(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1,GAKJWPKFTZVGTK-UHFFFAOYSA-N
-rxn:5:178314:223294:223139,CC(C)(C)[Si](C)(C)Oc1cc(-c2csc(N3CCNCC3)n2)ccc1-c1ccc(C2CCNCC2)nc1,FVDKKFYEEFISBQ-UHFFFAOYSA-N
-rxn:5:178315:225871:227084,Cc1nc(C(C)(C)C)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1,XHEAOFLPUVGZQJ-UHFFFAOYSA-N
-rxn:5:178353:223065:226366,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccnc(N2CCCCC2)c1,GLUDSPULCSLMGX-UHFFFAOYSA-N
-rxn:5:178368:223131:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCNCC2)cc1,SBQKFNIPSLQQKW-UHFFFAOYSA-N
-rxn:5:178368:226794:226426,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCC(C)CC4)s3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,DUOZEMOTWOBIED-UHFFFAOYSA-N
-rxn:5:178466:223008:225982,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ccc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,SBLHCOUHVUZCOK-UHFFFAOYSA-N
-rxn:5:178466:225982:223061,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,ORMPBLXBAFGYBS-UHFFFAOYSA-N
-rxn:5:178467:222959:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(C4CCNCC4)c(C)c3)c2OC1,VEIFHXSDGRAKMJ-UHFFFAOYSA-N
-rxn:5:178467:222960:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,GDWHXVPEYMEXEA-UHFFFAOYSA-N
-rxn:5:178467:222981:228695,CCOC(=O)C1=Cc2cc(-c3csc(CN(C)C)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,SKOWVURHQKNDQL-UHFFFAOYSA-N
-rxn:5:178467:222984:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2OC1,KWEGFCZSTZQZGK-UHFFFAOYSA-N
-rxn:5:178467:222984:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(CN4CCC(O)C4)cc3)c2OC1,BQAMBIPHUMKBHM-UHFFFAOYSA-N
-rxn:5:178467:222989:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,LMAXCZFFQSPEKY-UHFFFAOYSA-N
-rxn:5:178467:222989:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,UEDHRGNTJUVWKY-UHFFFAOYSA-N
-rxn:5:178467:222994:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccc(N4CCC(O)CC4)c3)c2OC1,IEUITVXGWZUYJO-UHFFFAOYSA-N
-rxn:5:178467:223001:227770,CCOC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,VNTRPZUDZACCGX-UHFFFAOYSA-N
-rxn:5:178467:223063:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,CGZMCCJUMXQZMZ-UHFFFAOYSA-N
-rxn:5:178467:223065:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,CINKMZRVDRPPFY-UHFFFAOYSA-N
-rxn:5:178467:223141:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncc(C4CCNCC4)c3)c2OC1,BQHHEFVPUAPVBP-UHFFFAOYSA-N
-rxn:5:178467:223147:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CNCCO4)cc3)c2OC1,SQEDZEVYIAMCRT-UHFFFAOYSA-N
-rxn:5:178467:223202:222989,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,GNVWCGPJAYPICQ-UHFFFAOYSA-N
-rxn:5:178467:223269:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(NC(C)=O)c(F)c3)c2OC1,DKTLVEYLMHGQLZ-UHFFFAOYSA-N
-rxn:5:178467:223281:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,DWCVCRPTCQWKGX-UHFFFAOYSA-N
-rxn:5:178467:223352:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(NC(C)C)nc3)c2OC1,IVVXHYYGFNWSQO-UHFFFAOYSA-N
-rxn:5:178467:225515:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,IHBJPIVTBKLPSL-UHFFFAOYSA-N
-rxn:5:178467:225602:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,LVBSLVNHPCFDPK-UHFFFAOYSA-N
-rxn:5:178467:225638:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCC(C)CC4)nc3)c2OC1,OGPDFYSEVLGDRH-UHFFFAOYSA-N
-rxn:5:178467:225833:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,QOERYUIZBKWCOA-UHFFFAOYSA-N
-rxn:5:178467:225976:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,IFUWTSGGXACOBD-UHFFFAOYSA-N
-rxn:5:178467:225980:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,JJPBWEBJLWTYHP-UHFFFAOYSA-N
-rxn:5:178467:226326:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,QONARGWXOMOHDF-UHFFFAOYSA-N
-rxn:5:178467:226331:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,CGNRFFMIIIMRGH-UHFFFAOYSA-N
-rxn:5:178467:226662:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,FFAJCCGWFOLLAJ-UHFFFAOYSA-N
-rxn:5:178467:226662:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,ZGTGZYWHCSGGSS-UHFFFAOYSA-N
-rxn:5:178467:227019:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cccc(C(C)(C)C#N)c3)c2OC1,MUHJYQMOVKZXKH-UHFFFAOYSA-N
-rxn:5:178467:227379:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cccnc3N3CCCC3)c2OC1,OIDVLCCBXKQPTD-UHFFFAOYSA-N
-rxn:5:178467:227495:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N(C)CC)ncc3F)c2OC1,CLLBDYPHDGLFPE-UHFFFAOYSA-N
-rxn:5:178467:227505:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,FMUVZNPSHWDHSY-ACCUITESSA-N
-rxn:5:178467:227507:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,IWFJFBXHHYAISM-UHFFFAOYSA-N
-rxn:5:178467:227701:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,RFARUDCTLDMMMC-UHFFFAOYSA-N
-rxn:5:178467:227944:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(C(C)(C)C)c3)c2OC1,GYPZYJWWIDFCDJ-UHFFFAOYSA-N
-rxn:5:178467:228361:225831,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)c(C)c3)cc(-c3cc(N(C)C)ncc3F)c2OC1,YTZCYQYRJXRKCS-UHFFFAOYSA-N
-rxn:5:178556:225978:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCOCC5)nc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CC1,VIDJOVSYWOAHIQ-UHFFFAOYSA-N
-rxn:5:179417:222987:225805,CCS(=O)(=O)c1ccc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IOUMWBGNDSULQX-UHFFFAOYSA-N
-rxn:5:179418:223054:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCOCC1,SZOQYYDBQCMICP-UHFFFAOYSA-N
-rxn:5:179418:225803:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,KUALPIBBNLTCNC-UHFFFAOYSA-N
-rxn:5:179629:225849:225982,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCOCC2)cc1F,CUWGOHCIUUANDM-UHFFFAOYSA-N
-rxn:5:179629:225849:226661,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,XRJDMZQGBBFWHS-UHFFFAOYSA-N
-rxn:5:179629:226661:226583,COc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,RFNIBYYEOIMBDA-UHFFFAOYSA-N
-rxn:5:179839:225849:225849,COc1c(C(C)=O)cc(-c2cnc(N3CCCCC3)cc2F)c(C)c1-c1cnc(N2CCCCC2)cc1F,DDLGABFXPKKJMT-UHFFFAOYSA-N
-rxn:5:179839:225849:225976,COc1c(C(C)=O)cc(-c2ccnc(N3CCOCC3)c2F)c(C)c1-c1cnc(N2CCCCC2)cc1F,TZPJREACVQJHPD-UHFFFAOYSA-N
-rxn:5:180020:225944:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(OC2CCCC2=O)c(-c2c(F)cc(F)c(OC(C)C)c2F)c1,JKELIBWGFWEVPL-UHFFFAOYSA-N
-rxn:5:180021:226425:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(N2CCCCC2C)s1,CJLTZKLAMSZMDE-UHFFFAOYSA-N
-rxn:5:180021:226428:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2C)cs1,JLNHPYQNLDHAQV-UHFFFAOYSA-N
-rxn:5:180022:225985:223146,COc1c(-c2cccc(C3CNCCO3)c2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,MNKNOPTXVZRCCR-UHFFFAOYSA-N
-rxn:5:180092:222991:222994,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCCC(O)C3)cc2)cc(-c2cccc(N3CCC(O)CC3)c2)c1,XAARGIZRJRIJLK-UHFFFAOYSA-N
-rxn:5:180204:225930:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(OC3CCOCC3)c(-c3cc(C)ccc3S(=O)(=O)N(C)C)c2)c1,ZFTMITYWSFQNFZ-UHFFFAOYSA-N
-rxn:5:180297:223056:227506,COc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,MRWOAOKUGQMWRW-MDWZMJQESA-N
-rxn:5:180402:227079:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(-c3cc(CC(C)C)ccc3F)ccc2C(=O)C2CCCCC2)cc1C,NAEUZSMTTIYORS-UHFFFAOYSA-N
-rxn:5:180421:225832:227126,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2CCOC2)cc1,AJOBMAJWPBLCJO-UHFFFAOYSA-N
-rxn:5:180422:223186:225797,CC(C)(C)c1ccc(-c2cc(CC3CCCCC3)ccc2-c2cnn(C3CCCCO3)c2)cc1[N+](=O)[O-],BVXNEGRTGMEEPB-UHFFFAOYSA-N
-rxn:5:180602:225976:223056,COC(=O)C1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,NMIASNVJNBKPOI-UHFFFAOYSA-N
-rxn:5:180662:222989:223203,COC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,VXNQGHKGMVIUSS-UHFFFAOYSA-N
-rxn:5:180662:223134:226734,COC(=O)C1=Cc2cc(-c3cccc(S(=O)(=O)N(C)C)c3)cc(-c3cnccc3C3CCCNC3)c2OC1,ITAOFFFLAZWBEG-UHFFFAOYSA-N
-rxn:5:180662:225407:227568,COC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3ccc(C4CCCCCC4)cc3)c2OC1,UTDGGIHWCKRPQA-UHFFFAOYSA-N
-rxn:5:180662:226645:226747,CCc1ncc(-c2cc3c(c(-c4ccnc(N5CCOCC5)c4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,VFFQUXBCUJHNQE-UHFFFAOYSA-N
-rxn:5:180662:226663:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,AGAMALZBHVIHSZ-UHFFFAOYSA-N
-rxn:5:180662:226747:226661,CCc1ncc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)cc3c2OCC(C(=O)OC)=C3)cc1C(F)(F)F,SQLZHZDZGVBGBC-UHFFFAOYSA-N
-rxn:5:181624:225677:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2F)ccc1C1OCCO1,HIZXUTGONKCJJR-UHFFFAOYSA-N
-rxn:5:181904:222956:222998,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2cc(F)cc(C3CCCNC3)c2)c(C2CCCNC2)c1,UQAFRRSFVXVAMT-UHFFFAOYSA-N
-rxn:5:181904:222960:222960,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cc(C)cc(C3CCNCC3)c2)cc(C2CCNCC2)c1,WHLTYXRCDPOBML-UHFFFAOYSA-N
-rxn:5:181904:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnn(C2CCCCO2)c1,VMKKCIZJFCEENX-UHFFFAOYSA-N
-rxn:5:181906:222985:225653,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,DGJSLXZYTPQJDK-UHFFFAOYSA-N
-rxn:5:181906:225672:226686,Cc1ccc(-c2cc(F)nc(C3CCCCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,AWDGGFYRNOFVKK-UHFFFAOYSA-N
-rxn:5:181908:226654:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2csc(N3CCC(C)CC3)n2)c(C2CCCNC2)c1,RBPKNFLMZJUOGQ-UHFFFAOYSA-N
-rxn:5:182009:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncnc2C2CCCCC2)cc1C1CCOCC1,RJVRPUXUKDHITE-UHFFFAOYSA-N
-rxn:5:182010:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cnccc2C2CCCNC2)c1,LCGVGMDSDRYHHF-UHFFFAOYSA-N
-rxn:5:182010:225832:223138,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1C1CCOCC1,OCYNBPMNDHWCCX-UHFFFAOYSA-N
-rxn:5:183062:223062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OCCCO2,BKGSMXNHRFGLQI-UHFFFAOYSA-N
-rxn:5:188930:223135:225607,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C(C)N2CCCCC2)s1,OSHYHXJHKGULGI-UHFFFAOYSA-N
-rxn:5:188930:223135:225805,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C(C)N2CCOCC2)s1,XUQVCLJRNYKBFW-UHFFFAOYSA-N
-rxn:5:188930:223138:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1cccnc1N1CCOCC1,HNQLEPRMWHPKSS-UHFFFAOYSA-N
-rxn:5:188930:223139:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1,VIFSMMVMYCUMRP-UHFFFAOYSA-N
-rxn:5:188930:225871:226211,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc2c(c1)CCN2C(C)=O,HLFVWSNZTLIXGD-UHFFFAOYSA-N
-rxn:5:188932:223138:223148,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)c1,OXTGFSSZOQHDPP-UHFFFAOYSA-N
-rxn:5:188932:227449:227449,COC(=O)c1cc(-c2ccc(C3CCOCC3)s2)c(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)s2)c1,GIGCJVKPQGNKLP-UHFFFAOYSA-N
-rxn:5:188932:227656:226649,COC(=O)c1cc(-c2cc(N3CCOCC3)cs2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,IGXWHUKRQODDGF-UHFFFAOYSA-N
-rxn:5:189079:226032:223018,CCN(C)C(=O)c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(-c2cc(OC)cc(C(F)(F)F)c2F)c1,SPIAJNRBRGRSCX-UHFFFAOYSA-N
-rxn:5:189207:227040:226883,Cc1ccc(OC(C)C)c(-c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1,PEYWXZLOXOAXCJ-UHFFFAOYSA-N
-rxn:5:189207:227966:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2cccnc2C(C)(C)C)cc1C(=O)ON1C(=O)CCC1=O,RTPFCHUEZWIEQJ-UHFFFAOYSA-N
-rxn:5:189208:222989:228883,Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cc(C#N)cnc2F)c1,ZJGXRQCZHCSRGH-UHFFFAOYSA-N
-rxn:5:189208:225592:228681,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccnn1CC1CC1,KGXOSRWEIOSDAD-UHFFFAOYSA-N
-rxn:5:189208:226154:227813,CCc1cccc(CC)c1-c1cc(-c2ccc(C(C)(C)C)cc2OC)ccc1C(=O)ON1C(=O)CCC1=O,BAAZGCVUFSUEIP-UHFFFAOYSA-N
-rxn:5:189209:225799:228530,O=C(ON1C(=O)CCC1=O)c1cc(-c2cncc(OC3CCOCC3)c2)cc(-c2ccc3c(c2)OCC3)c1,RILRJYCETGWKIV-UHFFFAOYSA-N
-rxn:5:189209:228318:225465,COC(=O)c1ccncc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C3CCN(C)CC3)c2)c1,BZKNJZRAMDRFES-UHFFFAOYSA-N
-rxn:5:189210:226183:227361,COc1cc(-c2cccc(-c3cnccc3C3CCCCC3)c2C(=O)ON2C(=O)CCC2=O)c(OC)cc1C,UXHLKJUYFBQZOI-UHFFFAOYSA-N
-rxn:5:189323:225620:226048,CC(C)(C)OC(=O)c1cc(-c2c(F)ccc(F)c2OC(F)(F)F)ncc1-c1ccc(OC2CCOCC2)cc1,NTRVIUSOXASLFO-UHFFFAOYSA-N
-rxn:5:189334:223082:226062,CNS(=O)(=O)c1c(C)cc(-c2cnc(C(=O)OC(C)(C)C)c(-c3cc(C(C)C)cc(C(C)C)c3)c2)cc1C,SPMHVJKBZGKFGB-UHFFFAOYSA-N
-rxn:5:189336:225622:226130,CN(C(=O)c1ccc(-c2ccccc2OC2CCCCO2)c(-c2ccc(CN3CCCC3)cc2)c1)C1CC1,PVWGSXJZIDUMFR-UHFFFAOYSA-N
-rxn:5:189337:226767:226049,COc1ccc(C(F)(F)F)c(-c2cc(C(=O)N(C)C)cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2OC)c1,NLUWTWYYOTULSP-UHFFFAOYSA-N
-rxn:5:189665:226662:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(N4CCN(C)CC4)s3)cnc2OCC2CCOCC2)c1,YTWQNQBTGLJFNY-UHFFFAOYSA-N
-rxn:5:189718:227833:226449,CCc1cc(C)cc(C)c1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccccc1C1(C)OCCO1,CKAKEMNIOAOODJ-UHFFFAOYSA-N
-rxn:5:189777:225576:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(CCN2CCCC2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,HZZOBTDGKOYLGX-UHFFFAOYSA-N
-rxn:5:189826:225873:228135,CCOc1cc(C)ncc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cccc(N3CCOCC3=O)c2)c1,LZECTYMZLUJHAC-UHFFFAOYSA-N
-rxn:5:189829:227376:227803,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccnn1S(=O)(=O)N(C)C,FGXULZAGCMEGQE-UHFFFAOYSA-N
-rxn:5:189908:225601:227330,COC(=O)c1ccc(-c2ncc(-c3ccc(C4(C#N)CCC4)cc3F)cc2OCC2CCCCC2)c(C)c1,JQGNSVUCRHUUDR-UHFFFAOYSA-N
-rxn:5:189952:225784:222417,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,VLVFCAIFRDRBGD-UHFFFAOYSA-N
-rxn:5:189952:225833:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,VHZCAWLRKLPYHX-UHFFFAOYSA-N
-rxn:5:189952:226644:225976,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,BGIAMCOXYZZTGF-UHFFFAOYSA-N
-rxn:5:189952:226747:226794,CCc1ncc(-c2cc(C(=O)N3CCOCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)cc1C(F)(F)F,JUCNUMLUWZNROG-UHFFFAOYSA-N
-rxn:5:190000:226154:227048,COc1cc(C(C)(C)C)ccc1-c1cc(-c2ccc(C(=O)C(C)C)cc2)ccc1CC(=O)N1CCCCC1,CPZMNFLNGUUZRJ-UHFFFAOYSA-N
-rxn:5:190127:225666:223388,COC1CCN(C(=O)c2cc(-c3cc(F)cc(N4CCCCC4)c3)ccc2-c2ccc(S(=O)(=O)O)cc2)CC1,ZHSVWOOKICDXNB-UHFFFAOYSA-N
-rxn:5:190128:223063:228524,COC1CCN(C(=O)c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(-c3cnc4c(c3)CCC4)c2)CC1,IJJAKLAQVIKZLF-UHFFFAOYSA-N
-rxn:5:190132:227446:226371,COC1CCN(C(=O)c2ccc(-c3ccc(C4OCCO4)cc3)cc2-c2cnc(N3CCCC3)cc2C)CC1,PGLJYIHCNUGKRI-UHFFFAOYSA-N
-rxn:5:190194:222989:223388,COC1CCN(Cc2cccc(-c3ccc(N4CCNCC4)cc3C)c2-c2ccc(S(=O)(=O)O)cc2)CC1,KZFPXROPZVXMOX-UHFFFAOYSA-N
-rxn:5:190194:223164:227801,COC1CCN(Cc2cccc(-c3cc(F)c(F)c(NC4CC4)c3)c2-c2c(C(F)(F)F)ccnc2F)CC1,DUXFCPRVPFKDOL-UHFFFAOYSA-N
-rxn:5:190194:225451:227574,COc1c(F)ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)c1OC,PEQZERZUCBXENR-UHFFFAOYSA-N
-rxn:5:190194:225589:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(CN3CCSCC3)cc2)c1OC,GQPZIORODAMSAP-UHFFFAOYSA-N
-rxn:5:190194:225656:223388,COC1CCN(Cc2cccc(-c3cncc(N4CCCCC4C)c3)c2-c2ccc(S(=O)(=O)O)cc2)CC1,JHPDDBNABLLWCC-UHFFFAOYSA-N
-rxn:5:190194:226444:226769,COC(=O)c1cc(F)c(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCO3)nc2C)c1,QTSBXDKQEZJXQM-UHFFFAOYSA-N
-rxn:5:190194:227501:226437,COC1CCN(Cc2cccc(-c3ccc(C=C[N+](=O)[O-])cc3)c2-c2cc(C3CCCC3)ncc2F)CC1,BFVJJTXIZHPYKO-UHFFFAOYSA-N
-rxn:5:190194:227587:226064,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)cc(F)c1OC,GBUUWUQZZJXLPG-UHFFFAOYSA-N
-rxn:5:190195:223062:223113,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,MPAKDSDWHJUCGW-UHFFFAOYSA-N
-rxn:5:190195:225784:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,ILBUNKBTJGJNMH-UHFFFAOYSA-N
-rxn:5:190195:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccnc(OC2CCOCC2)c1,XAHUEQBOIFIIOE-UHFFFAOYSA-N
-rxn:5:190195:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,WSPPEFOZYUOSDC-UHFFFAOYSA-N
-rxn:5:190196:225803:223113,CN(Cc1ccc(-c2ccnc(OC3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,SEIPTLIENNYATA-UHFFFAOYSA-N
-rxn:5:190197:223141:225833,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cncc(C2CCNCC2)c1)C1CCOCC1,VRRPVIZCFYRABE-UHFFFAOYSA-N
-rxn:5:190197:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,OPQKHEDCWZDIHY-UHFFFAOYSA-N
-rxn:5:190199:223113:223056,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DQFCSXXIYBMKEE-UHFFFAOYSA-N
-rxn:5:190199:225803:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,MJEGIGBWVGWRKE-UHFFFAOYSA-N
-rxn:5:190200:226026:226049,CN(Cc1cc(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1)C1CCOCC1,LZSOZGCLODUYLY-UHFFFAOYSA-N
-rxn:5:190201:223105:228131,CNS(=O)(=O)c1cc(-c2ccc(-c3cc(F)cc(CC#N)c3)c(CCN3CCOC(C)C3)c2)c(F)cc1C,MNYUYWIKRNBWJJ-UHFFFAOYSA-N
-rxn:5:190201:226571:222417,CC1CN(CCc2cc(-c3cnn(CC4CCOCC4)c3)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,IFTMOJYBTIFSBC-UHFFFAOYSA-N
-rxn:5:190231:226645:223113,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,VEONQIXHISMSOI-UHFFFAOYSA-N
-rxn:5:190231:228171:226754,CCOc1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3c(F)cc(F)c(OCC)c3F)c2OC)cc1F,TVGQXXCOGPRWIJ-UHFFFAOYSA-N
-rxn:5:190299:226046:226085,COc1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2)C1=O,OOXJCMMXWRKCIC-UHFFFAOYSA-N
-rxn:5:190307:226325:227748,CC1CCN(CCc2cc(-c3ccc(C(C)(C)C#N)cc3F)ccc2-c2ccc(F)c(C(F)(F)F)c2)CC1,WSCJCYOAFSWZTF-UHFFFAOYSA-N
-rxn:5:190336:226450:223017,COC(=O)c1cccc2cc(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4cccc(C5(C)OCCO5)c4)c3OC)[nH]c12,ZHKRPOYESWZTOI-UHFFFAOYSA-N
-rxn:5:190404:225684:228113,CCc1nc(OC)ccc1-c1ccccc1C1CCN(C(=O)c2ccc(-c3ccc(C4CCOCC4)nc3C)o2)CCS1,DHFQHKIRTFHKDF-UHFFFAOYSA-N
-rxn:5:190459:225593:223230,CC(=O)Nc1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cc(F)cc(CN4CCCC4)c3)CCS2)c(C)c1,OSASMDQHYCKWCW-UHFFFAOYSA-N
-rxn:5:190484:227818:228195,CCC(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C(C)(C)C)nc4C)S(=O)(=O)CC3)c2)c1,MJNBCMYYYPQEEP-UHFFFAOYSA-N
-rxn:5:190484:228106:227409,CCC(C)c1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,OQXOKWZTGDCZMV-UHFFFAOYSA-N
-rxn:5:190711:225976:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2n1C,JACBFLCWTVWFIE-UHFFFAOYSA-N
-rxn:5:190740:223056:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1ccc(C2CCNCC2)nc1F,MYZBBEAJJAZGJU-UHFFFAOYSA-N
-rxn:5:190741:225834:223061,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ATVADJXPCUIIMN-UHFFFAOYSA-N
-rxn:5:190741:225980:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JBKXHVKZIGUEQH-UHFFFAOYSA-N
-rxn:5:190741:226330:225976,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCC4)s3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,LFRBADWFZYYKFO-UHFFFAOYSA-N
-rxn:5:190742:225976:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cnc(C2CCNCC2)cc1F,NUBXITZUIYXPPG-UHFFFAOYSA-N
-rxn:5:190742:226583:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(CN2CCCC2)c(F)c1,JXRMGVVIUNQIEK-UHFFFAOYSA-N
-rxn:5:190743:225881:223062,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,JIMZDUOOSOAFFQ-UHFFFAOYSA-N
-rxn:5:190743:225976:225849,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,RDZTWTRXGPWVNC-UHFFFAOYSA-N
-rxn:5:190744:225439:223062,CCOC(=O)c1cnc2c(-c3cccc(C(C)N4CCCC4)c3)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,DXDCPVOWBBWWNP-UHFFFAOYSA-N
-rxn:5:190744:226661:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,JNNRBAOBBMQFFW-UHFFFAOYSA-N
-rxn:5:190797:226571:226760,COC(=O)c1cc(-c2cc(-c3cnn(CC4CCOCC4)c3)cc3c2ccn3C(=O)OC(C)(C)C)cc(F)c1F,NTKCKEDSPGGFIY-UHFFFAOYSA-N
-rxn:5:190798:225450:226059,CC(C)c1ccc(-c2ccc3c(c2)c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)c(C(C)C)c1,KYJKMXICNHWWGT-UHFFFAOYSA-N
-rxn:5:190832:226679:225849,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCC4)cc3F)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,KKXIBJXLEVNWPP-UHFFFAOYSA-N
-rxn:5:190833:227048:227965,Cc1ccnc(C(C)C)c1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,SDEVXEFVTDWRGJ-UHFFFAOYSA-N
-rxn:5:190833:227065:227898,CC(C)Cc1cncc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,VJCKLHHHEYEBMP-UHFFFAOYSA-N
-rxn:5:190833:228508:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2cccc(C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,AJQFTAUIFONXNC-UHFFFAOYSA-N
-rxn:5:190859:227416:225799,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(F)nc(C3CCC3)c1)c2-c1cncc(OC2CCOCC2)c1,HRVAKWAMSQGENX-UHFFFAOYSA-N
-rxn:5:191026:227810:227102,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,MWJJZXYZKUUFFR-UHFFFAOYSA-N
-rxn:5:191026:227818:227313,CCC(C)c1cccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)CC)ncc4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,AKOZQJTWTPDUOU-UHFFFAOYSA-N
-rxn:5:192234:226427:226662,COc1c(-c2ccc(N3CCN(C)CC3)s2)cc(-c2cc(N3CCC(C)CC3)cs2)cc1S(N)(=O)=O,DMRHOPFWPZKJGF-UHFFFAOYSA-N
-rxn:5:193226:225849:227387,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCCC3)c2)c1)N1CCOCC1,IELSOZJVPULAHD-UHFFFAOYSA-N
-rxn:5:193228:226664:225987,O=C(c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)cc(-c2cc(N3CCCC3)ncc2F)c1)N1CCSCC1,GVBIVLLGWCHPOS-UHFFFAOYSA-N
-rxn:5:193229:227020:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cncc(C#CC4CC4)c3)c2)CC1,SCWNAKXQDPZYOB-UHFFFAOYSA-N
-rxn:5:193230:223061:225655,CC1CCN(c2cncc(-c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3C(=O)N3CCOCC3)c2)CC1,GEUADUJJTINNOQ-UHFFFAOYSA-N
-rxn:5:193230:225982:223065,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,FFPVOIJGGAINRH-UHFFFAOYSA-N
-rxn:5:193329:225498:226464,COc1ccc2c(c1-c1c(-c3cc(C4CCCCC4)ccc3F)ccnc1OC1CCCCC1)OCCO2,CGYLBCXGTGETEH-UHFFFAOYSA-N
-rxn:5:193337:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(CN4CCOCC4)c3)cc21,LOQNWIOEKSLICH-UHFFFAOYSA-N
-rxn:5:193382:222959:227656,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)ccc1C1CCNCC1,IPNDPAKZJASPQL-UHFFFAOYSA-N
-rxn:5:193382:222960:225638,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCC(C)CC4)nc3)c2)cc(C2CCNCC2)c1,QXJWXIMPHGAFJR-UHFFFAOYSA-N
-rxn:5:193382:222960:227958,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCC4)c3)c2)cc(C2CCNCC2)c1,NYWVHUXOGMSPKF-UHFFFAOYSA-N
-rxn:5:193382:222985:225980,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(N3CCOCC3)ncc2F)c1,RJDKQZUQRBFBCQ-UHFFFAOYSA-N
-rxn:5:193382:223063:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,UZGRJBXYRHSSLC-UHFFFAOYSA-N
-rxn:5:193382:223139:223241,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,WJMSOUZSBCQOSU-UHFFFAOYSA-N
-rxn:5:193382:223285:223136,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccncc2C2CCCNC2)c1,GUHONXGWCIMWNZ-UHFFFAOYSA-N
-rxn:5:193382:223286:226665,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCCOC4)nc3)c2)c1,AKCDZICQTSFMLY-UHFFFAOYSA-N
-rxn:5:193382:223287:227449,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)s3)c2)cc1,NOPAWTAAIDMVKA-UHFFFAOYSA-N
-rxn:5:193382:223295:226447,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOCC4)c3)c2)c1,DCTUIPHBLXVTIH-UHFFFAOYSA-N
-rxn:5:193382:225636:226645,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(N5CCOCC5)c4)c3)ccn2)CC1,DNTUUKGQEGRYGV-UHFFFAOYSA-N
-rxn:5:193382:225834:225784,O=S(=O)(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,YKFDSQKPSDJLEO-UHFFFAOYSA-N
-rxn:5:193382:225880:227086,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,NDLDWQOWTLCCBQ-UHFFFAOYSA-N
-rxn:5:193382:226366:226413,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,QFENNPIFIPAEFA-UHFFFAOYSA-N
-rxn:5:193382:226446:223199,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccc(C3CCNC3)c2)c1,MIXOMRKGOSIBCP-UHFFFAOYSA-N
-rxn:5:193382:226645:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,CYDYVYOPLNJMQJ-UHFFFAOYSA-N
-rxn:5:193382:227387:223148,O=S(=O)(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccccc1C1CNCCO1)N1CCOCC1,NBOYAYRLRWIQNH-UHFFFAOYSA-N
-rxn:5:193382:228692:225805,CC(c1ccc(-c2cc(-c3ccc(CN(C)C)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,OXTNCRYGUZMWPZ-UHFFFAOYSA-N
-rxn:5:193459:223173:226395,O=C(c1cc(-c2cncc(N3CCCCC3)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,LQULBADAFVHJNV-UHFFFAOYSA-N
-rxn:5:193459:225636:225986,CC1CCN(c2cc(-c3cc(C(=O)N4CCCCC4)cc(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,UWPXFYVCYILRRC-UHFFFAOYSA-N
-rxn:5:193459:226366:223173,O=C(c1cc(-c2ccnc(N3CCCCC3)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,LBGMBVWMPCBTTI-UHFFFAOYSA-N
-rxn:5:193460:223008:226845,COc1ncc(C(F)(F)F)cc1-c1c(C(=O)N2CCCCC2)cccc1-c1cc(C2CCNCC2)ccc1F,OFKVZFIZIFYNOX-UHFFFAOYSA-N
-rxn:5:193462:227582:225985,CCOc1c(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(CN3CCC(=O)CC3)c2)ccc(F)c1F,QXCHCPSDGIFFFF-UHFFFAOYSA-N
-rxn:5:193467:227376:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1cncc(N2CCCC2)c1,VWGHQYGMTLMQIF-QFIPXVFZSA-N
-rxn:5:193506:222958:227656,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)cc1C1CCNCC1,NDVLRRJFCNDDAT-UHFFFAOYSA-N
-rxn:5:193506:223011:223139,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCNCC3)nc2)c1,GAXPOWWZTCFRKQ-UHFFFAOYSA-N
-rxn:5:193506:223149:226662,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCN(C)CC3)s2)c1,QHKTUFNAZIGTIE-UHFFFAOYSA-N
-rxn:5:193506:223294:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,AESZHMDBZFSUDD-UHFFFAOYSA-N
-rxn:5:193506:225833:228527,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc3c2OCC3)CC1,BIZYSEIEWXDWJC-UHFFFAOYSA-N
-rxn:5:193506:225833:228580,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccnc2C2CC2)CC1,GAKNAZYVAMZWJS-UHFFFAOYSA-N
-rxn:5:193506:225833:229016,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccsc2C2CC2)CC1,RWYSLSJJHHOZQX-UHFFFAOYSA-N
-rxn:5:193506:225834:223141,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2cncc(C3CCNCC3)c2)CC1,UMQFTRIBOISSRS-UHFFFAOYSA-N
-rxn:5:193506:225849:228527,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc3c2OCC3)CC1,OPUMYCBMLANHLM-UHFFFAOYSA-N
-rxn:5:193506:225849:228531,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc3c2CCO3)CC1,YGPMPWAIHIYFJH-UHFFFAOYSA-N
-rxn:5:193506:225849:228628,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cc(C3CCC3)cs2)CC1,SILUEZLVACCWGD-UHFFFAOYSA-N
-rxn:5:193506:225849:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2sccc2C2CC2)CC1,BJRUAIKXWIPQLO-UHFFFAOYSA-N
-rxn:5:193506:226190:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,ILDYPVNNBVCPHA-UHFFFAOYSA-N
-rxn:5:193506:226191:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)ccc3F)cc2-c2ccnc3c2OCCO3)CC1,WAFAWFSZFYZKRX-UHFFFAOYSA-N
-rxn:5:193506:226330:223148,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1)N1CCCC1,ORKGNSXWXWGJIB-UHFFFAOYSA-N
-rxn:5:193506:226366:228007,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cc(F)ccc2C2CC2)CC1,HIZLQBIODNTBET-UHFFFAOYSA-N
-rxn:5:193506:226366:228009,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccc(C3CC3)c(F)c2)CC1,GCLBBMFUPOIWLX-UHFFFAOYSA-N
-rxn:5:193506:226420:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2cccnc2N2CCCC2)CC1,GICUUJSQKGJHQK-UHFFFAOYSA-N
-rxn:5:193506:226420:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,ZEPHSQAFOPGKHS-UHFFFAOYSA-N
-rxn:5:193506:226422:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2cccnc2N2CCCC2)CC1,VXZUYLMTAYGGIT-UHFFFAOYSA-N
-rxn:5:193506:226422:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2ccnc3c2OCCO3)CC1,LFXWJFOWBSOYIZ-UHFFFAOYSA-N
-rxn:5:193506:226426:223146,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cccc(C5CNCCO5)c4)c3)s2)CC1,JOWYPDMWWTTWOE-UHFFFAOYSA-N
-rxn:5:193506:226431:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,QUSHXVDRDUTPGC-UHFFFAOYSA-N
-rxn:5:193506:226431:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2ccnc3c2OCCO3)CC1,HBEPZVATFNIWRP-UHFFFAOYSA-N
-rxn:5:193506:226438:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,KWIHQVRQRIZSPU-UHFFFAOYSA-N
-rxn:5:193506:226441:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2cccnc2N2CCCC2)CC1,QPDOPOFOZZOQBB-UHFFFAOYSA-N
-rxn:5:193506:226658:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccnc3c2OCCO3)CC1,OTRHOOYBIWAMTH-UHFFFAOYSA-N
-rxn:5:193506:226664:228071,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cccc3c2OCCO3)CC1,VAHUUSRFRVVGOE-UHFFFAOYSA-N
-rxn:5:193506:226664:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccnc3c2OCCO3)CC1,QGULMQHHXKTJFD-UHFFFAOYSA-N
-rxn:5:193506:226665:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,QCLODFMEHUPTKG-UHFFFAOYSA-N
-rxn:5:193506:226679:228071,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc3c2OCCO3)CC1,YNVBBAUFCVUYJF-UHFFFAOYSA-N
-rxn:5:193506:226679:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(N3CCCC3)s2)CC1,LPQHOOOSILGTHP-UHFFFAOYSA-N
-rxn:5:193506:226794:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cnc(N3CCSCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,MDWKBHHGYWDSFY-UHFFFAOYSA-N
-rxn:5:193506:227379:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,ANKBOURGIUQRDR-UHFFFAOYSA-N
-rxn:5:193506:227379:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,ZPINUHMGGKOQRE-UHFFFAOYSA-N
-rxn:5:193506:227379:226441,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccc(N3CCCC3)cc2F)CC1,SONXXLBTWSRPJS-UHFFFAOYSA-N
-rxn:5:193506:227379:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2cnc(N3CCCC3)cc2F)CC1,FMCXYNLHMZPARZ-UHFFFAOYSA-N
-rxn:5:193506:227385:227691,COc1cc(-c2cc(-c3cnc(C(C)(C)C)nc3C)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1[N+](=O)[O-],HXSVXXFPZMYOHA-UHFFFAOYSA-N
-rxn:5:193506:227387:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,OFSXZSDITRNYTG-UHFFFAOYSA-N
-rxn:5:193506:227387:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(N3CCCC3)nc2F)CC1,RQIXJBURJPDSNI-UHFFFAOYSA-N
-rxn:5:193506:227387:227375,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(N3CCCC3)nc2)CC1,VKFATIGVOYWGLF-UHFFFAOYSA-N
-rxn:5:193506:227413:227205,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2cccc3c2OCCCO3)CC1,QOJZOOIPUPVRCP-UHFFFAOYSA-N
-rxn:5:193506:227419:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3F)cc2-c2ccc(N3CCCC3)s2)CC1,SBRQRTHZOWQSAI-UHFFFAOYSA-N
-rxn:5:193506:227505:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2-c2ccc(C3CCCNC3)nc2)CC1,NYTRBBSDPFHQKS-GZTJUZNOSA-N
-rxn:5:193506:227656:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,MPMRIJHGPWDQOV-UHFFFAOYSA-N
-rxn:5:193506:227867:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,LIBMXRYVAHHHFE-UHFFFAOYSA-N
-rxn:5:193506:227867:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,SXYLJXDHRFNWJJ-UHFFFAOYSA-N
-rxn:5:193506:227867:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2ccc(N3CCCC3)nc2F)CC1,NXKINVJATWZKEK-UHFFFAOYSA-N
-rxn:5:193506:227960:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccncc3C3CCC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HSGMWHXVLMUQQP-UHFFFAOYSA-N
-rxn:5:193506:227968:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cnccc3C3CCC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HHRNSQGMDZCTRJ-UHFFFAOYSA-N
-rxn:5:193506:228071:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCO4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,PSPDLUYBOYQEPP-UHFFFAOYSA-N
-rxn:5:193506:228207:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,FWEWMTVRBYEDCC-UHFFFAOYSA-N
-rxn:5:193506:228210:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2ccc(N3CCCC3)nc2F)CC1,REMAJPNQPLQZBH-UHFFFAOYSA-N
-rxn:5:193506:228211:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cs3)cc2-c2cnc(N3CCCC3)cc2F)CC1,JRRKSJFEOXSXEZ-UHFFFAOYSA-N
-rxn:5:193506:228223:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,REWZMYPNFZRRJG-UHFFFAOYSA-N
-rxn:5:193506:228292:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,FPYCVNYTIMQIHH-UHFFFAOYSA-N
-rxn:5:193506:228292:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2ccc(N3CCCC3)nc2F)CC1,KRSIJVYZQFMXFB-UHFFFAOYSA-N
-rxn:5:193506:228292:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cnc(N3CCCC3)cc2F)CC1,NGAOFEKNRRAMLE-UHFFFAOYSA-N
-rxn:5:193506:228503:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCC4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,RGNURYJJKZHHRA-UHFFFAOYSA-N
-rxn:5:193506:228527:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCC4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,RSNQZULLBGRTQU-UHFFFAOYSA-N
-rxn:5:193506:228531:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCO4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,UHXBIVUJTVDAQO-UHFFFAOYSA-N
-rxn:5:193506:228878:225805,CC(c1ccc(-c2cc(-c3cnn(C4COC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,MIYZIBKVVRSNPK-UHFFFAOYSA-N
-rxn:5:193542:225978:223173,O=S1(=O)CC(O)c2cc(-c3c(CN4CCCCC4)cccc3-c3ccc(N4CCOCC4)nc3F)ccc21,JRDPTMGUJGTDSP-UHFFFAOYSA-N
-rxn:5:193681:223173:226364,CN1CCC(Oc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccc(N3CCCCC3)nc2)CC1,KWFFYEGFXGZEQS-UHFFFAOYSA-N
-rxn:5:193711:227033:226427,CC1CCN(c2csc(-c3ccccc3C=C3SC(=S)N(c4ccc(-c5ccc(C6CC6)c(C#N)c5)cc4)C3=O)c2)CC1,OYXYGJQGNPJDHD-UHFFFAOYSA-N
-rxn:5:193752:227710:226679,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cnc(N4CCCC4)cc3F)c2)C1,IMZXEVAFOAFRKA-UHFFFAOYSA-N
-rxn:5:193756:225806:227413,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1cnc(C2CCC2)cc1F,VOAHZHAUGXOBEE-UHFFFAOYSA-N
-rxn:5:193756:226438:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cnc(C3CCCC3)cc2F)ccc1C(=O)N1CCCCC1C,MNLIVNCLAHLWQC-UHFFFAOYSA-N
-rxn:5:193756:228236:225833,CC1CCCCN1C(=O)c1ccc(-c2ccnc(F)c2C2CC2)cc1-c1ccnc(N2CCCCC2)c1F,SFDSENMNYVIPPI-UHFFFAOYSA-N
-rxn:5:193756:228320:225640,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4C)c3)c2)ccn1,HHNCDRPGHNRCFB-UHFFFAOYSA-N
-rxn:5:193807:225677:227592,COc1cc(F)cc(-c2cccc(CN3CCC(C)CC3)c2-c2ccc(C3CCCCC3)nc2F)c1OC,MCZMJMMQOPRBDX-UHFFFAOYSA-N
-rxn:5:193807:226573:226446,Cc1nc(C2CCOC2)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1cnc(OC(C)(C)C)nc1C,KXKASZVAXXUKJI-UHFFFAOYSA-N
-rxn:5:193809:223065:227710,CC1CCN(Cc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(OS(C)(=O)=O)cc2)CC1,CBTXBSKHQDNVKC-UHFFFAOYSA-N
-rxn:5:193809:225677:227371,COc1c(C)ccc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ccc2CN2CCC(C)CC2)c1OC,KDYRXMWZADSYTG-UHFFFAOYSA-N
-rxn:5:193866:225456:227807,CN1CCC(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc4c3CCCC4)cc2)CC1,LHRNAKDABYBYOJ-UHFFFAOYSA-N
-rxn:5:193866:226062:225886,CC(C)c1cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(C)C)c1,XGBKLVYAYSLJFQ-UHFFFAOYSA-N
-rxn:5:193866:227818:226341,CCC(C)c1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cc(C(C)C)c(F)cc2OC)c1,WBLZBSVPWZKIPY-UHFFFAOYSA-N
-rxn:5:193866:227937:225456,CC(C)Sc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3CCN(C)CC3)cc2)c1,GJDCURFDYAWLMP-UHFFFAOYSA-N
-rxn:5:193867:225454:227808,CN1CC=C(c2ccc(-c3cc(-c4ccc5c(c4)CCCC5)cc(C4(N5CCC(=O)CC5)CC4)c3)cc2)CC1,PNCRTVGDMZQIMC-UHFFFAOYSA-N
-rxn:5:193869:223147:223146,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,XHOICEOPIRAIKN-UHFFFAOYSA-N
-rxn:5:193870:222420:227657,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCOCC3)s2)cc1-c1ccccc1S(N)(=O)=O,WCNGIRRDSANYIL-UHFFFAOYSA-N
-rxn:5:193870:227375:226924,Cc1cc(-c2cc(-c3ccc(N4CCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)c(C2CC2)c1,DYEXBJKOCDWARR-UHFFFAOYSA-N
-rxn:5:193870:227438:226898,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)cc1-c1ccnc(C2CCOC2)c1,BXTVHUYOJLYCFV-UHFFFAOYSA-N
-rxn:5:193871:225941:228558,CCSc1cccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cnc(C3CC3)c(C(F)(F)F)c2)c1,JIDSIFKKGWRLQH-UHFFFAOYSA-N
-rxn:5:193871:226049:226742,N#Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cc(F)c(OC(F)(F)F)c(F)c2)c(C(F)(F)F)c1,PZWQQOLMIBRLJM-UHFFFAOYSA-N
-rxn:5:193889:225455:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cc(N4CCCCC4)ccc3C)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,ZXUANCFHGWYFMO-UHFFFAOYSA-N
-rxn:5:193889:225461:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)cc3C)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,JAIGEKPEEMICLJ-UHFFFAOYSA-N
-rxn:5:193889:225633:222992,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCCCC3O)cc2)n1,NVFXUIUUGFUZPB-UHFFFAOYSA-N
-rxn:5:193889:225633:225631,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCN(C)CC3)cc2)n1,FVJKJDHDQFBOPT-UHFFFAOYSA-N
-rxn:5:193892:226332:226325,CC(C)(C#N)c1ccc(-c2ccc(C3SCC(=O)N(c4ccc(-c5ccccc5C(=O)N5CCC5)cc4)C3=O)cc2)c(F)c1,ZGAVHJSQQYDKMW-UHFFFAOYSA-N
-rxn:5:193932:223286:227065,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(C(=O)C(C)C)c3)c(-c3cccc(NS(C)(=O)=O)c3)c2)C1,CDVXSAJRVBXGTL-UHFFFAOYSA-N
-rxn:5:193932:223344:225634,Cc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc3c2CC(=O)N3)cnc1N1CCCCC1,ZGAZALULIFKHQX-UHFFFAOYSA-N
-rxn:5:193932:227685:225589,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(CN4CCSCC4)cc3)c(-c3ccc(C#N)c([N+](=O)[O-])c3)c2)C1,NKOCNZZKRVWXOV-UHFFFAOYSA-N
-rxn:5:193932:228223:225824,CC1CC(C)CN(C(=O)c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c(-c3ccc(C4CC4)nc3F)c2)C1,CRJXHCYGKZEWFV-UHFFFAOYSA-N
-rxn:5:193967:225657:223345,Cc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3NC(=O)C4)c2)ccc1N1CCOCC1,ZQMWAZOCTXNOFR-UHFFFAOYSA-N
-rxn:5:193968:227953:226177,Cc1cc(N(C)C)ccc1-c1ccc(-c2ccnc(C3CCCCC3)c2)c(CN2CCC3(CC2)OCCO3)c1,QVFXTQINVYFGGA-UHFFFAOYSA-N
-rxn:5:193972:223147:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CNCCO2)cc1,IWGKMVSJQSZLRO-UHFFFAOYSA-N
-rxn:5:193972:225833:229065,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,HNLALGDPVBONOM-UHFFFAOYSA-N
-rxn:5:193972:225849:229065,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,RMWAUCKDCJLZGI-UHFFFAOYSA-N
-rxn:5:193972:228292:227106,Cc1cc(-c2ccnc3c2OCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CC2)c(C)cc1F,JKNVZZIEKUWZKP-UHFFFAOYSA-N
-rxn:5:193972:228883:223131,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCNCC2)cc1,FYTORXPDPMRGEY-UHFFFAOYSA-N
-rxn:5:193972:229031:225634,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,YEWDMIAYRQLGCR-UHFFFAOYSA-N
-rxn:5:194058:222989:225607,Cc1cc(N2CCNCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCCCC2)s1,IRDZASKBVOWSPW-UHFFFAOYSA-M
-rxn:5:194058:223054:225633,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCCC3)nc2)s1)N1CCC(O)C1,OYLCPUOJZLBTNT-UHFFFAOYSA-M
-rxn:5:194058:225607:223056,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCCCC1,CYSOBBSFNPEPOD-UHFFFAOYSA-M
-rxn:5:194561:225616:227199,CN1C(=O)Cc2ccc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)cc3C(=O)N3C4CCC3COC4)cc21,GCAFVKUSIHTVKO-UHFFFAOYSA-N
-rxn:5:194733:225671:228781,O=C(c1cc(-c2cc(C3CCCCC3)ncc2F)ccc1-c1ccc(C(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,CKXDMGVDKCGMSX-UHFFFAOYSA-N
-rxn:5:194733:226041:227033,N#Cc1cc(-c2ccc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc1C1CC1,MUFZQADNZXALRF-UHFFFAOYSA-N
-rxn:5:194767:223061:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,YNOOLLMDIPYWHF-UHFFFAOYSA-N
-rxn:5:194782:223208:226147,COc1ccc2[nH]c(-c3ccc(-c4c(C)cc(OC(C)C)cc4C)c(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)c3)cc2c1,DZHXZTVTJJWPQZ-UHFFFAOYSA-N
-rxn:5:196175:225805:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccc(C(C)N4CCOCC4)s3)c(C)c(S(N)(=O)=O)c2)c1,NQECMABIJAMRRQ-UHFFFAOYSA-N
-rxn:5:196198:226778:223018,COc1cc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)c(F)c1OC,IDCPAUKJNBUXAH-UHFFFAOYSA-N
-rxn:5:196408:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(NC3CCCCC3)c2)c1,DRHNXNCXVNWQPT-UHFFFAOYSA-N
-rxn:5:196408:225655:225985,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NOCCO3)c2)CC1,XWYZIEZBWLEAGE-UHFFFAOYSA-N
-rxn:5:196408:225985:225655,CC1CCN(c2cncc(-c3ccc(C4=NOCCO4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)CC1,VAOWPPVMFCVRRM-UHFFFAOYSA-N
-rxn:5:196408:225986:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,ITXHRJPATQXLKF-UHFFFAOYSA-N
-rxn:5:196408:225986:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,SZQIUIUEYKSEBP-UHFFFAOYSA-N
-rxn:5:196408:225986:225634,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,JFQVWACYRCFNJW-UHFFFAOYSA-N
-rxn:5:196533:226686:227612,Cc1cnn(C2CCCCO2)c1-c1ccc(N2C(=O)CC(c3cnn(C4CCCCO4)c3)C2=O)cc1,WGJRDJJXZWSBHL-UHFFFAOYSA-N
-rxn:5:196789:223064:223065,O=C1COCCN1c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(N2CCNCC2)cc1F,XKEKRIRNDSYMPT-UHFFFAOYSA-N
-rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
-rxn:5:196794:225808:226731,CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1N1CCOCC1=O,IUTLAPSTDCVLIO-UHFFFAOYSA-N
-rxn:5:196794:225976:223061,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(C2CCNCC2)ncc1F,IMHFJKVVDYCEOB-UHFFFAOYSA-N
-rxn:5:196858:222985:222959,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCNC3)nc2C)ccc1C1CCNCC1,LGGFCCBRWOWAEI-UHFFFAOYSA-N
-rxn:5:196917:225985:226679,CC1(C)COC(c2cc(-c3cnc(N4CCCC4)cc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JWAYQIJPVHGTRP-UHFFFAOYSA-N
-rxn:5:196917:226679:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cnc(N3CCCC3)cc2F)=N1,XZKYUWUPHVOGKJ-UHFFFAOYSA-N
-rxn:5:196919:225926:226679,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cnc(N3CCCC3)cc2F)=N1,BMVZGEAZSFZCRT-UHFFFAOYSA-N
-rxn:5:196919:226371:225986,Cc1cc(N2CCCC2)ncc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,XEDGPRGVEQJVBV-UHFFFAOYSA-N
-rxn:5:196919:226679:225985,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WUBZZONUFCTFKU-UHFFFAOYSA-N
-rxn:5:196970:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccccc1C1CNCCO1,BVEVEBLJEONLAZ-UHFFFAOYSA-N
-rxn:5:196970:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCS2(=O)=O)c1,CWVPJPSYNFVWQP-UHFFFAOYSA-N
-rxn:5:196970:225461:225985,Cc1cc(N2CCCCC2)ccc1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCS2(=O)=O)c1,WVIURPLWPXPPGP-UHFFFAOYSA-N
-rxn:5:196970:225576:225986,N#Cc1cc(-c2c(C3CCCCC3)ccnc2-c2ccccc2N2CCCS2(=O)=O)ccc1N1CCCC1,FMGSIUPMYCJWON-UHFFFAOYSA-N
-rxn:5:196971:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)cc2)ncc1C1CCCCC1,NXXNWJLYCNKNKE-UHFFFAOYSA-N
-rxn:5:196977:225985:225634,Cc1cc(-c2cc(N3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,NVRPTJLZXMCQKD-UHFFFAOYSA-N
-rxn:5:196978:225634:225986,Cc1cc(-c2ccc(N3CCCCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,KFPILWHJEDTCGE-UHFFFAOYSA-N
-rxn:5:196978:225639:225986,CC1CCN(c2ncccc2-c2ccc(N3CCCCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)CC1,ANSPPAZLJVPNIQ-UHFFFAOYSA-N
-rxn:5:196979:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(N2CCCCC2)c1,IUMZLVCPLBWDMF-UHFFFAOYSA-N
-rxn:5:196979:225634:225985,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)cnc1N1CCCCC1,DSSIZFNIJPCGII-UHFFFAOYSA-N
-rxn:5:196979:225636:225985,CC1CCN(c2cc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)ccn2)CC1,PCRRCDPVEMBQSM-UHFFFAOYSA-N
-rxn:5:196979:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)cc(N2CCCCC2)c1,ODERSXAFSRLBPE-UHFFFAOYSA-N
-rxn:5:196979:225985:225634,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)cnc1N1CCCCC1,DSSIZFNIJPCGII-UHFFFAOYSA-N
-rxn:5:197169:225986:225634,Cc1cc(-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)cnc1N1CCCCC1,ZZRCNJQGGVRPPQ-UHFFFAOYSA-N
-rxn:5:197169:225986:225639,CC1CCN(c2ncccc2-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)CC1,YEOKJTPBOOLJCV-UHFFFAOYSA-N
-rxn:5:197572:225943:226172,CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3cc(N4CCCC4)ccc3C)c21,QAPCNYABCHVKCK-UHFFFAOYSA-N
-rxn:5:197876:223008:228544,CC(C)(C)N1C(=O)c2cc(-c3ccc(CC#N)cc3)c(-c3cc(C4CCNCC4)ccc3F)cc2S1(=O)=O,OSGPMWCGMBMDPN-UHFFFAOYSA-N
-rxn:5:197876:225498:229010,CC(C)c1csc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QPECVLHFMRPXOR-UHFFFAOYSA-N
-rxn:5:197876:225671:227939,COC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RVFHKTYJJWWYMC-UHFFFAOYSA-N
-rxn:5:197876:227409:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YGVLCESLNNKVTR-UHFFFAOYSA-N
-rxn:5:225679:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,QJLCZROXLDVODC-UHFFFAOYSA-N
-rxn:5:225849:193506:228527,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc3c2OCC3)CC1,OPUMYCBMLANHLM-UHFFFAOYSA-N
-rxn:5:225985:196408:225639,CC1CCN(c2ncccc2-c2ccc(C3=NOCCO3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,SUDKYHBVKQFPSE-UHFFFAOYSA-N
-rxn:5:225986:196408:225634,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,JFQVWACYRCFNJW-UHFFFAOYSA-N
-rxn:5:226191:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)ccc3F)cc2-c2ccnc3c2OCCO3)CC1,WAFAWFSZFYZKRX-UHFFFAOYSA-N
-rxn:5:226371:196919:225986,Cc1cc(N2CCCC2)ncc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,XEDGPRGVEQJVBV-UHFFFAOYSA-N
-rxn:5:226414:193506:228214,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cnc(C3CC3)cc2F)CC1,ZCSYJYNRPFNEAD-UHFFFAOYSA-N
-rxn:5:226422:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2ccnc3c2OCCO3)CC1,LFXWJFOWBSOYIZ-UHFFFAOYSA-N
-rxn:5:226431:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2ccnc3c2OCCO3)CC1,HBEPZVATFNIWRP-UHFFFAOYSA-N
-rxn:5:226438:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,KWIHQVRQRIZSPU-UHFFFAOYSA-N
-rxn:5:226658:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccnc3c2OCCO3)CC1,OTRHOOYBIWAMTH-UHFFFAOYSA-N
-rxn:5:226664:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccnc3c2OCCO3)CC1,QGULMQHHXKTJFD-UHFFFAOYSA-N
-rxn:5:226679:196919:225985,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WUBZZONUFCTFKU-UHFFFAOYSA-N
-rxn:5:227379:193506:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,ZPINUHMGGKOQRE-UHFFFAOYSA-N
-rxn:5:227710:193752:226679,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cnc(N4CCCC4)cc3F)c2)C1,IMZXEVAFOAFRKA-UHFFFAOYSA-N
-rxn:5:227867:193506:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2ccc(N3CCCC3)nc2F)CC1,NXKINVJATWZKEK-UHFFFAOYSA-N
-rxn:5:227905:178295:227339,COC(=O)c1cc(C)ccc1-c1ccc(-c2ccnc(CC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GNPHRZUXMCERKU-UHFFFAOYSA-N
-rxn:5:227907:178295:227068,CCC(C)c1cncc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JFEXKTRLHFEEDJ-UHFFFAOYSA-N
-rxn:5:227909:178295:226917,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,YZQDOQKFCVNYOT-UHFFFAOYSA-N
-rxn:5:227910:178295:227288,CCC(C)c1ccc(-c2ccc(-c3ccccc3C(=O)N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,ULAWKZLODAISLV-UHFFFAOYSA-N
-rxn:5:227912:178295:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,GSRRYPQKWUKSMF-UHFFFAOYSA-N
-rxn:5:227920:178295:227309,CCC(=O)c1ccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,PQEJSKQNRGKJCW-UHFFFAOYSA-N
-rxn:5:227922:178295:227521,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(=O)OC)cnc2C)cc1C1(C(=O)OC)CCC(=O)CC1,UYFMQRBJWOSWOD-UHFFFAOYSA-N
-rxn:5:227926:178295:223231,CNC(=O)c1ccc(-c2ccc(-c3ccc(SC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,NUDZCVJVXCXPLX-UHFFFAOYSA-N
-rxn:5:227929:178295:227075,CCOc1cc(C)ccc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,RNKLUQPXXIRMBJ-UHFFFAOYSA-N
-rxn:5:227932:178295:227062,CCOc1ccc(-c2ccc(-c3cc(COC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1C,BIBSAGXSGJLXJP-UHFFFAOYSA-N
-rxn:5:227932:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(COC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,LEZZNAMXSPANOY-UHFFFAOYSA-N
-rxn:5:227933:178295:226772,CCc1ccc(OC)cc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZYLWEDOUQKHQFD-UHFFFAOYSA-N
-rxn:5:227935:178295:227542,CCc1cc(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,HBTMOUCSGAEYGQ-UHFFFAOYSA-N
-rxn:5:227940:178295:226917,CCc1cc(SC)cc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BVHBWGXWOMORJC-UHFFFAOYSA-N
-rxn:5:227940:178295:227540,CCc1cc(SC)cc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MXUSMFVXJGFAMH-UHFFFAOYSA-N
-rxn:5:227945:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(N(C)C)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,WMUDVWCWTVWZOE-UHFFFAOYSA-N
-rxn:5:227989:178295:227525,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(F)F)ncc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PYMVQDMERLMEOB-UHFFFAOYSA-N
-rxn:5:227999:178295:223289,CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(C(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KRZXJJDHFROUDD-UHFFFAOYSA-N
-rxn:5:228000:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,RUXKBHFHPPXISB-UHFFFAOYSA-N
-rxn:5:228000:178295:227115,COC(=O)C1(c2cc(-c3cc(C)c(C4CC4)cc3F)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,VNOUBBLAUVTUEN-UHFFFAOYSA-N
-rxn:5:228292:193506:223007,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)cc(C3CCNCC3)c2)CC1,RLTLUAZVVPFNCP-UHFFFAOYSA-N
-rxn:5:228292:193972:227106,Cc1cc(-c2ccnc3c2OCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CC2)c(C)cc1F,JKNVZZIEKUWZKP-UHFFFAOYSA-N
-rxn:5:228527:193506:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCC4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,RSNQZULLBGRTQU-UHFFFAOYSA-N
-rxn:5:228531:193506:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCO4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,UHXBIVUJTVDAQO-UHFFFAOYSA-N
-rxn:5:229031:193972:225634,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,YEWDMIAYRQLGCR-UHFFFAOYSA-N
-rxn:4:173338:222518,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,ZLKIXXFSIQNPLQ-UHFFFAOYSA-N
-rxn:4:173401:222779,COC(=O)C(C(=O)OC)c1cc(-c2ccncc2CNC(=O)OC(C)(C)C)ccc1OC,KZGWMKLFZVRBEG-UHFFFAOYSA-N
-rxn:4:173457:224757,COC(=O)c1cc(OCC(C)(C)OC)cc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)c1,AOHTZBNNZOMUHS-UHFFFAOYSA-N
-rxn:4:173508:224846,CCC1CCC(c2ccc(-c3ccc(OCCOC4CCCCO4)c(OC)c3)cc2)CC1,NZRICGNRJFZUKA-UHFFFAOYSA-N
-rxn:4:173510:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(OCC3CC3)cc2C(=O)OC(C)(C)C)c1,DXPRXDSZYCQWIR-UHFFFAOYSA-N
-rxn:4:173518:222522,CCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1,LTJLCIMXEZMWQV-UHFFFAOYSA-N
-rxn:4:173555:222583,CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cc1,FESGXLNKYJVXRS-UHFFFAOYSA-N
-rxn:4:173575:223162,CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)c1,IYHSGJHBCBPCKF-UHFFFAOYSA-N
-rxn:4:173596:224867,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(OCC2CCCCC2)cc1,RYNBCXPOSVTTLV-UHFFFAOYSA-N
-rxn:4:173596:225618,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(OC2CCCCO2)c1,GCRJOJPXOUDYOA-UHFFFAOYSA-N
-rxn:4:173602:222424,COC(=O)C12CC(COc3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)c(OC)c3)(C1)C2,WQCXGIPAVDVLRU-UHFFFAOYSA-N
-rxn:4:173654:222424,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c1)C2=O,LPMVEEJLANYMAZ-UHFFFAOYSA-N
-rxn:4:173675:223737,Cc1oc2cc(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,HDFDYAKDGMXRES-UHFFFAOYSA-N
-rxn:4:173723:222598,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,GQDJIKKBQZPIHJ-UHFFFAOYSA-N
-rxn:4:173723:222748,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cc1,KSKWEBSTRAJPGK-UHFFFAOYSA-N
-rxn:4:173723:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,XECVRIBGYRZSBL-UHFFFAOYSA-N
-rxn:4:173723:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c3ccccc23)CC1,PHIPTQKFZPAPEQ-UHFFFAOYSA-N
-rxn:4:173723:223697,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1,CECMRETWFRMTRM-UHFFFAOYSA-N
-rxn:4:173723:224018,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1,BQWFQCZNQCQRBH-UHFFFAOYSA-N
-rxn:4:173723:224487,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1,YYKHSKPVMXSHQY-UHFFFAOYSA-N
-rxn:4:173723:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,MGHGHAOSWICBJH-UHFFFAOYSA-N
-rxn:4:173723:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cn2)CC1,DTCUXOFVWVCUOP-UHFFFAOYSA-N
-rxn:4:173763:222542,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1,ZSWAPFRUHLATBC-UHFFFAOYSA-N
-rxn:4:173785:224412,COC(=O)c1cc(F)c(OCC(F)F)c(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1,PHYJEWXJMKBKBF-UHFFFAOYSA-N
-rxn:4:173789:224248,COC(=O)c1ccc(OCC(F)(F)F)c(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)c1,IOGDLQRHTSSJDA-UHFFFAOYSA-N
-rxn:4:173798:223508,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,GILIJIATYHQHEW-UHFFFAOYSA-N
-rxn:4:173802:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,VPIXZQVVVCVYPB-UHFFFAOYSA-N
-rxn:4:173802:222704,O=S(=O)(OC(c1ccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,WPTJPNCFNYMVII-UHFFFAOYSA-N
-rxn:4:173802:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,HJEQSKISCGOCIK-UHFFFAOYSA-N
-rxn:4:173802:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,VZYVLWYLUDKJFT-UHFFFAOYSA-N
-rxn:4:173802:222978,O=C(NC1CCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,HSCXXVZFMKCHCC-UHFFFAOYSA-N
-rxn:4:173802:223007,O=S(=O)(OC(c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1)C(F)(F)F)C(F)(F)F,YLNWJIFJCKRUOH-UHFFFAOYSA-N
-rxn:4:173802:223029,CC(C)OC(=O)Nc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,HXUQTQWTGCVGGL-UHFFFAOYSA-N
-rxn:4:173802:223061,O=S(=O)(OC(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,UUSMSZBKTXHVPG-UHFFFAOYSA-N
-rxn:4:173802:223085,O=S(=O)(OC(c1ccc(-c2cnc(Cl)c(N3CCC(O)C3)c2)cc1)C(F)(F)F)C(F)(F)F,SXCXWBYLDATTKM-UHFFFAOYSA-N
-rxn:4:173802:223097,CNC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,ZUSMSSZSOATVDA-UHFFFAOYSA-N
-rxn:4:173802:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,RRSRNGKYVGTBFS-UHFFFAOYSA-N
-rxn:4:173802:224006,COc1nc2ccc(OC(F)(F)F)cc2cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,KWNQRZKSODVHFX-UHFFFAOYSA-N
-rxn:4:173802:224404,O=S(=O)(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F)N1CCOCC1,UFVHQSZGRSLTQZ-UHFFFAOYSA-N
-rxn:4:173802:224765,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1)C(F)(F)F)C(F)(F)F,JEWQOSJTTQOYKM-UHFFFAOYSA-N
-rxn:4:173802:225108,CCN(CC)C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c1,DCVOSQBHXPRGNZ-UHFFFAOYSA-N
-rxn:4:173802:225269,COC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(=O)OC)c1,FOWUWIMKJSJAMR-UHFFFAOYSA-N
-rxn:4:173802:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,KCOTZJNDPXTLDQ-UHFFFAOYSA-N
-rxn:4:173802:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,WVMRUHXDLGYSGF-UHFFFAOYSA-N
-rxn:4:173802:225303,CC(C)(C)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)n1,UGKCFVHJTWNSPT-UHFFFAOYSA-N
-rxn:4:173802:225326,CCOC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c([N+](=O)[O-])c1,AMZKMXCQQZEXRF-UHFFFAOYSA-N
-rxn:4:173802:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,OWNCTEGPYXEIQA-UHFFFAOYSA-N
-rxn:4:173802:225716,COCCOCc1cc(F)ccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,MWVIUHRBEGWSMU-UHFFFAOYSA-N
-rxn:4:173802:225803,O=S(=O)(OC(c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,WASRFIKVYLPQSV-UHFFFAOYSA-N
-rxn:4:173802:225810,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C2OCCO2)c1,SAPPGYICKJZFES-UHFFFAOYSA-N
-rxn:4:173802:226026,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,UJSYWGWRYOIXHE-UHFFFAOYSA-N
-rxn:4:173807:224874,FC(F)(F)c1c(OC(C(F)(F)F)C(F)(F)F)cccc1-c1cccc(COC2CCCCC2)c1,WLAAOHSTSZQKIO-UHFFFAOYSA-N
-rxn:4:173937:224291,CCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1C(F)(F)F,OZSJNMKRCLVWHY-UHFFFAOYSA-N
-rxn:4:173960:223712,COC(=O)CCc1cc(OC)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,PRDZRHASRAQRIA-UHFFFAOYSA-N
-rxn:4:174019:222721,CC(F)(F)c1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1OCC(F)(F)C(F)(F)F,IQFCPPYXEYYUAX-UHFFFAOYSA-N
-rxn:4:174061:222539,COC(=O)c1cc(OCC2CC2)cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,MUNCHXRXOHDDMU-UHFFFAOYSA-N
-rxn:4:174092:223842,CC(C)CSCC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,NMNAWRQQIFXOLJ-UHFFFAOYSA-N
-rxn:4:174208:222439,COc1ccc(C(=O)COc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)cc1,CUQLXBFIMWTKED-UHFFFAOYSA-N
-rxn:4:174296:222389,COc1ccc(COc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2C(F)(F)F)cc1,XIMHIIXNVKLOGW-UHFFFAOYSA-N
-rxn:4:174366:223753,CCOC(=O)c1ccc(S(=O)(=O)c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)cc1,UWDWPSJMUOUMBN-UHFFFAOYSA-N
-rxn:4:174437:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,VQRMJTRICOUNJK-UHFFFAOYSA-N
-rxn:4:174488:225329,CCOC(=O)C(=CC1CCCCC1)c1ccc(-c2ccc(OCC(F)(F)F)c(C#N)c2)cc1,JZCXGOWSKYFRDJ-UHFFFAOYSA-N
-rxn:4:174492:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)(F)F)c(OCCC4CCCCC4)c3)c2)CC1,GQIAYDXYLNYKOH-UHFFFAOYSA-N
-rxn:4:174524:223571,COc1cc(C=Cc2cccc(-c3ccc(OCCN4C(=O)c5ccccc5C4=O)cc3)c2C)c(C(F)(F)F)cc1C1OCCO1,CNLZQSDBWXBYDG-UHFFFAOYSA-N
-rxn:4:174649:224874,COc1ccc(-c2cccc(COC3CCCCC3)c2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,MKBSPGFPVSFAAD-UHFFFAOYSA-N
-rxn:4:174656:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)cc21,JCMLQSSADMZJBQ-UHFFFAOYSA-N
-rxn:4:174663:226844,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WLFNDXWDOZEIAT-UAJPHTGBSA-N
-rxn:4:174835:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(Cl)cc2C(=O)CCC(F)(F)F)c1,UCMJYKURIMZXPD-UHFFFAOYSA-N
-rxn:4:175433:223888,COC(=O)c1cc(C(=O)C(C)C)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,XVASXWHYFODRRF-UHFFFAOYSA-N
-rxn:4:175582:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)ccc2Cl)CC1,ZMAITZQYVNHWHI-UHFFFAOYSA-N
-rxn:4:175937:224285,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1OCC1CCOCC1,ODAPUFRSPAXWOW-UHFFFAOYSA-N
-rxn:4:176018:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OCC4CCCCC4)cc3F)c(F)c2)CC1,PPHLQGDKTXGRCW-AQYVVDRMSA-N
-rxn:4:176125:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cccc(OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)c1,RMGRBSYMAPQEEC-UHFFFAOYSA-N
-rxn:4:176293:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,MLRNJPHPKQUXQC-UHFFFAOYSA-N
-rxn:4:176308:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccccc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,XOYKCEKBIMIGGZ-UHFFFAOYSA-N
-rxn:4:176316:224472,CC(C)Oc1ccc2cc(-c3ccc(OCC(F)(F)F)c(C4C5CC6CC(C5)CC4C6)c3)ccc2c1Cl,NUERMVMGKYFPRZ-UHFFFAOYSA-N
-rxn:4:176504:223753,Cc1ccc(-c2ccc(F)c(CC(=O)C(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,AJWIBLLQSZUIEE-UHFFFAOYSA-N
-rxn:4:177103:223659,COC(=O)C(C)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,NKNPRRYUHCMTDO-UHFFFAOYSA-N
-rxn:4:177104:223559,COC(=O)Cc1ccc(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,FOTDKNSKOKKCAY-UHFFFAOYSA-N
-rxn:4:177154:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(CC(C)=O)c1,HQTWDZHRMXSPSH-UHFFFAOYSA-N
-rxn:4:178265:222524,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(C2CCOCC2)c1,LYWJZIBDCUSGKT-UHFFFAOYSA-N
-rxn:4:178286:223480,Cc1cc(OCC2CCOCC2)cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,FLNNFEHOTURSKE-UHFFFAOYSA-N
-rxn:4:178288:225114,COC(=O)C1(c2ccc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cc2)CCC(=O)CC1,WGEPZQHDKWIBFA-UHFFFAOYSA-N
-rxn:4:178328:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)CC3CCCCC3)cc2)CC1,QQEYCHQXSFHJNP-UHFFFAOYSA-N
-rxn:4:178371:224101,COc1c(-c2cccc(OCCN3CCC(C)CC3)c2)cc(C(C)(C)C)cc1C(C)(C)C,KOSFIZDKRJKQHD-UHFFFAOYSA-N
-rxn:4:178384:226204,COc1nc2ccccc2cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,OYQQGQDIPZGZNV-UHFFFAOYSA-N
-rxn:4:178384:226206,COc1cc2c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cccc2cn1,LNBNZNPHOSCJNA-UHFFFAOYSA-N
-rxn:4:178497:222514,COc1ccc(-c2ccc(OC)c(S(=O)(=O)C34CC(C3)C4)c2)cc1S(=O)(=O)NC1CCCCC1,BZVDWDZDAYZCCT-UHFFFAOYSA-N
-rxn:4:178597:225457,Cc1ccc(-c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccn2)cc1,IWSGBYVVRLFZEP-UHFFFAOYSA-N
-rxn:4:178597:227704,COc1cnc(C(F)F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,OUWDWLWBVCDNJF-UHFFFAOYSA-N
-rxn:4:178597:228932,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(F)n1,AUWGZLZJOKYMHP-UHFFFAOYSA-N
-rxn:4:178759:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(F)c3C(=O)C(F)(F)F)cc2F)CC1,PKGXEMJMOCHAMM-UHFFFAOYSA-N
-rxn:4:179289:223541,CC(=O)c1cc(C(F)(F)F)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,MBYBKBBQZNGFTE-UHFFFAOYSA-N
-rxn:4:180289:223712,COc1ccc(-c2cc(C)cc(C3OCCO3)c2OC)cc1C12CC3CC(CC(C3)C1)C2,DPBGHAYATXVHKT-UHFFFAOYSA-N
-rxn:4:180414:222925,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cc2)C(=O)O1,OFTCFTUPAPHMJD-UHFFFAOYSA-N
-rxn:4:180440:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C3COCCO3)cc2C2CC2)c1,SYRNMYAVGAGASR-UHFFFAOYSA-N
-rxn:4:180792:225200,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(OC4CCCC4)c3F)cc1C2=O,PBXORIOKYRLUNJ-UHFFFAOYSA-N
-rxn:4:180792:225319,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)c(F)c(N4CCOCC4)c3)cc1C2=O,YSURSNHDKKGXHV-UHFFFAOYSA-N
-rxn:4:180815:225010,COc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,UPLYRJBIVRFEQH-UHFFFAOYSA-N
-rxn:4:180856:222540,CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3cccc(C(=O)NCCN4CCCCC4)c3)cccc21,WAYVDEOFOZRNRK-UHFFFAOYSA-N
-rxn:4:182372:224570,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(C)N4CCN(C)CC4)cc3)cc1C2=O,UPCULDHEZJZOGK-XQUDEEGESA-N
-rxn:4:182376:222994,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(N5CCC(O)CC5)c4)cc3C2=O)C[C@@H]1C,UQCFXUYRUZDUIU-CCMMMYSXSA-N
-rxn:4:182376:224425,CCCC1CCC(c2ccccc2-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)CC1,PFZYAZNRMXGISN-LUONIEAZSA-N
-rxn:4:182416:223282,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cc(F)c(Cl)c3[nH]ncc23)cc1,AHYXVUISUREUMM-UHFFFAOYSA-N
-rxn:4:182416:225954,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-c3cnccn3)cc2F)cc1,MCIGWWSFKKICKY-UHFFFAOYSA-N
-rxn:4:183128:223480,Cc1cc(-c2cc3c(cc2F)OCCCC3=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PAUJWTGYXNFOFY-UHFFFAOYSA-N
-rxn:4:183272:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cn2)CC1,GDLQFIZTDWBGQD-UHFFFAOYSA-N
-rxn:4:183274:227115,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)cc1C1CC1,PKVDMBHVUKBHOG-UHFFFAOYSA-N
-rxn:4:183520:224398,CCOC(=O)Cc1c(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)cc(C#N)cc1C(F)(F)F,APSPZYPTZAAHCY-UHFFFAOYSA-N
-rxn:4:183605:222684,COC(=O)c1cc(OCC2CC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1[N+](=O)[O-],NJDGLEUSBKTANB-UHFFFAOYSA-N
-rxn:4:183605:223810,COC(=O)c1cc(OCC2CC2)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1[N+](=O)[O-],LIBRNWOCBNVQBX-UHFFFAOYSA-N
-rxn:4:183644:222583,O=C(CS(=O)c1ccccc1[N+](=O)[O-])Oc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,WRECAZMKEHRPSO-UHFFFAOYSA-N
-rxn:4:183708:223866,CCN(CC)Cc1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)ccc1C(=O)OC,UBNYGHQEGIBMKC-UHFFFAOYSA-N
-rxn:4:183726:224462,CCCOc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,RRPNSCBITAPGFG-UHFFFAOYSA-N
-rxn:4:183729:222952,O=C(COc1ccc(OC(F)(F)F)cc1-c1cccc(NC(=O)C(F)(F)F)c1F)N1CCOCC1,NAPYWJALSZGVED-UHFFFAOYSA-N
-rxn:4:183729:224274,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cc2cnccc21,QECKJHYHNQQJHY-UHFFFAOYSA-N
-rxn:4:183729:226842,O=C(COc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)C(F)(F)F)c1)N1CCOCC1,GMBCJTCEKGTTNQ-UHFFFAOYSA-N
-rxn:4:183729:227464,CCCCSc1ncc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cn1,PBFHVZZPEUOOQQ-UHFFFAOYSA-N
-rxn:4:183729:227465,COCCOc1cncc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1,SWDVPOPSOKIKAN-UHFFFAOYSA-N
-rxn:4:183729:227512,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c(C)cn1,SYOUIFKIDDOBSE-UHFFFAOYSA-N
-rxn:4:183729:227804,O=C(COc1ccc(OC(F)(F)F)cc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-])N1CCOCC1,OGSVRVBVUMCWAU-UHFFFAOYSA-N
-rxn:4:183737:223979,CCCCN(Cc1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1F)C1CC1,FWDUMATVRAYUNH-UHFFFAOYSA-N
-rxn:4:183782:224394,CCN(Cc1cccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1)C(=O)OC(C)(C)C,VHRUZOZIITXXJZ-UHFFFAOYSA-N
-rxn:4:183880:224619,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(OCCN4CCCC4)c(F)c3)cc2F)C1,UAQBJBPDFDUWJM-UHFFFAOYSA-N
-rxn:4:183899:223079,CC(C)NS(=O)(=O)c1cccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,LGAKTILXSFHKLT-UHFFFAOYSA-N
-rxn:4:183915:224589,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(F)cc2CN2CCC(C)CC2)CC1,DXFUHFLRFXJCEN-UHFFFAOYSA-N
-rxn:4:183930:223093,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,LXSBHQUSAXYNAB-UHFFFAOYSA-N
-rxn:4:183933:223072,CCCNS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2C)cc1,ZGEOAUUFQFWYOG-UHFFFAOYSA-N
-rxn:4:183936:226844,CC(C)(C)OC(=O)N(Cc1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCC1,MOKHNJGSPSMQCC-UHFFFAOYSA-N
-rxn:4:183942:224759,COc1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,VLKNUMBUHIJTBG-UHFFFAOYSA-N
-rxn:4:183942:227273,CCOc1c(OC)cccc1-c1ccc(OC)cc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1,LHHBORTWVDWIIL-UHFFFAOYSA-N
-rxn:4:183966:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)c(Cl)c2)CC1,CXMWHDOXLPXRQK-UHFFFAOYSA-N
-rxn:4:183983:224273,Cc1ccc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,KARMCMWIBPREDQ-UHFFFAOYSA-N
-rxn:4:183991:222684,Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)C2)cc1,XFAVWAHYKUPKRU-UHFFFAOYSA-N
-rxn:4:184092:222632,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)o2)C2CCS(=O)(=O)C2)cc1,QINPRUIVUXMTTN-UHFFFAOYSA-N
-rxn:4:184099:223383,CC(=O)Nc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cn1,ZSBQNERGIBOZEJ-UHFFFAOYSA-N
-rxn:4:184099:224054,CC(C)Oc1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)cc1,BZELUZYZEBIYKU-UHFFFAOYSA-N
-rxn:4:184100:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,JYGSJLRPAZUUOT-UHFFFAOYSA-N
-rxn:4:184103:224612,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc21,QUZMEIQGQRYAHN-UHFFFAOYSA-N
-rxn:4:184118:222711,COc1ccc(-c2cc(OCCCCN3C(=O)c4ccccc4C3=O)ccc2Cl)cc1S(=O)(=O)NC(C)(C)C,SZCQSMZEACSSMI-UHFFFAOYSA-N
-rxn:4:184213:223635,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)cc1,KJLJQWDFVJWUJV-UHFFFAOYSA-N
-rxn:4:184241:225218,CC1CCCN(c2ncc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(F)cc3)N(CCCOC(C)C)C5=O)cc2Cl)C1,ISTVOOYRYOKPBA-UHFFFAOYSA-N
-rxn:4:184615:224243,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1cc(F)cc(C(=O)N2CCCCC2C)c1,DXCLGTQLYQDHNO-UHFFFAOYSA-N
-rxn:4:184695:226286,CC(C)COc1cc(-c2cc(OC(F)(F)F)cc(C(=O)ON3C(=O)CCC3=O)c2)ccc1Cl,FWBAZHJDDPVSJG-UHFFFAOYSA-N
-rxn:4:184720:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(OCC(=O)N(C)C)c3)c(F)cc2C)CC1,UHIKRGJCSVQXHI-UHFFFAOYSA-N
-rxn:4:184721:223671,CCOc1cc(C(=O)N(C)OC)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VDMMDAUOKVQXLY-UHFFFAOYSA-N
-rxn:4:184866:224329,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)c1,QPVMMFWLHYYLDT-UHFFFAOYSA-N
-rxn:4:184884:226019,CC(C)(C)S(=O)/N=C/c1ccc(OC(F)(F)F)cc1-c1ccc(F)cc1OCC(F)(F)F,QLSVTBGNBDINOB-ORBVJSQLSA-N
-rxn:4:184908:224825,COc1ccc(OCC(=O)N2CCCC2)c(-c2cc(C(=O)N(C)OC)cc([N+](=O)[O-])c2)c1,RNGLTCCXRZNORH-UHFFFAOYSA-N
-rxn:4:184913:224162,COC(=O)C1CN(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2OC)C1,ZXJJNFCFMFGGOD-UHFFFAOYSA-N
-rxn:4:184921:224182,Cc1cc(-c2cccc(F)c2OCCCN2CCC(F)(F)C2)ccc1OCCN1CCOCC1,WOWVGURZAXZUBK-UHFFFAOYSA-N
-rxn:4:184935:222684,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,YFNLUSMUSIDORN-UHFFFAOYSA-N
-rxn:4:184981:224252,CC1CCCN(C(=O)c2ccc(-c3ccccc3C(=O)OCCN3CCCCC3)cc2F)C1,GMMWQDLNWICQDE-UHFFFAOYSA-N
-rxn:4:185002:225324,CC(C)CCn1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)c(C(F)(F)F)n1,LJUKPQHUWDMXAM-UHFFFAOYSA-N
-rxn:4:185024:223954,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c1,JMVNPWLGJUUXGJ-UHFFFAOYSA-N
-rxn:4:185049:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1ccc(OCCN2CCCC(C(F)(F)F)C2)cc1,YJJIJOMWEWDHNQ-UHFFFAOYSA-N
-rxn:4:185122:222915,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(C(=O)NC5=NCCS5)cc4)cc3)o2)SC1=S,GQZICHLGRCFJOX-UHFFFAOYSA-N
-rxn:4:185135:224884,COC(=O)C1CCN(CCc2cc(-c3cccc(CN4CCC(C)CC4)c3)ccc2Cl)CC1,PCEYKODZSWOHJW-UHFFFAOYSA-N
-rxn:4:185156:226004,COC(=O)c1cc(-c2cc(OC)cc(OC(F)(F)F)c2)ccc1CN1CCC(C(F)(F)F)CC1,WQOFJADYWQYFPS-UHFFFAOYSA-N
-rxn:4:185165:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)C1,IJYUNQGETWBWTR-UHFFFAOYSA-N
-rxn:4:185207:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,MVPCEJZRBBZHKX-UHFFFAOYSA-N
-rxn:4:185208:224398,Cc1cc(F)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1S(=O)(=O)N1CCCC1,DONSHPBXPLHKLV-UHFFFAOYSA-N
-rxn:4:185234:224931,CCN(CC)c1cc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(C2CC2)n1,UZTJDUDGUJEJTA-UHFFFAOYSA-N
-rxn:4:185243:225333,CC(C)CN(C(=O)c1ccc(-c2ccc(COCC(F)(F)F)c(F)c2)cc1)C1CCS(=O)(=O)C1,RCSSJDMMYYJWCS-UHFFFAOYSA-N
-rxn:4:185245:222624,CC(C)Cc1cc(-c2ccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)o2)cc(C2CCNCC2)n1,NQNODYVEVKHQPD-UHFFFAOYSA-N
-rxn:4:185254:223839,CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1OC,JHIRQOYUQSHUHH-UHFFFAOYSA-N
-rxn:4:185308:223929,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,BJIXVWNTQNEWGU-UHFFFAOYSA-N
-rxn:4:185308:225665,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2)CC1,OQXOYHHHWPFIQN-UHFFFAOYSA-N
-rxn:4:185334:224607,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)ccc2OC)cc1,IFDSUOZEPMYKBR-UHFFFAOYSA-N
-rxn:4:185350:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)c3)cc2)CC1,LIDCGVQNCTZODL-UHFFFAOYSA-N
-rxn:4:185353:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(CC(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)cc3)cnc21,MYYFIEFXFHTHPS-UHFFFAOYSA-N
-rxn:4:185364:225308,CC(C)N1C(=O)C(=Cc2cc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)ccc2OCc2ccc(Cl)cc2)SC1=S,FFRUPLYLBNGMFH-UHFFFAOYSA-N
-rxn:4:185368:222698,CC(C)(C)c1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)ccc1OCC(=O)N1CCCCC1,IDMILHFSANKBCK-UHFFFAOYSA-N
-rxn:4:185370:226268,CCCOc1c(SC)cccc1-c1ccc(C(=O)OC(C)CN2C(C)CCCC2C)cc1,VUYJKGRDYQZRRF-UHFFFAOYSA-N
-rxn:4:185374:222465,O=C(Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,XXCQUVANYHBPFT-UHFFFAOYSA-N
-rxn:4:185376:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCCC(S(=O)(=O)CC(C)C)C1,OCJKXTXNFMFZPH-UHFFFAOYSA-N
-rxn:4:185376:223138,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCNCC3)c2)C1,UBXYYFFBJIHXFZ-UHFFFAOYSA-N
-rxn:4:185378:224389,Cc1ccn(-c2ccc(-c3cccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)n1,JHVRLHDZQAJTBD-UHFFFAOYSA-N
-rxn:4:185380:225886,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)(C(F)(F)F)CC1,XSTWPAFCVDAUNC-UHFFFAOYSA-N
-rxn:4:185384:225938,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)C1,GRQJPPROSAERQT-UHFFFAOYSA-N
-rxn:4:185393:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(S(=O)(=O)Cc5ccccc5)CC4)cc3)c2)CC1,AKPSTUCHSVNFIE-UHFFFAOYSA-N
-rxn:4:185407:227011,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(COC(C)C)cc1,LSUZMAQQXXABBZ-UHFFFAOYSA-N
-rxn:4:185428:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)ccc2OC)CC1,OZKPVUXZMRFGBD-UHFFFAOYSA-N
-rxn:4:185430:228807,CSc1ccc(Cl)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)cc(C(F)(F)F)c1,MUSSUYJYYDMVKD-UHFFFAOYSA-N
-rxn:4:185435:225723,CN(C)CCOc1ccc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)cc1Cl,WWYGEBIUHOHVEP-UHFFFAOYSA-N
-rxn:4:185440:222511,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)c(F)c2)CC1,FXUXPOKBXRAQOT-UHFFFAOYSA-N
-rxn:4:185489:225346,CCOCCCN1Cc2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc2OCC1=O,AZNHPWIPKOGMEB-UHFFFAOYSA-N
-rxn:4:185517:222604,COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCCOc2ccccc2C)cc1S(=O)(=O)NC1CCCC1,MDHOQJVEOWVOJU-UHFFFAOYSA-N
-rxn:4:185535:226844,COC(=O)[C@@H]1Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2CN1C(=O)OC(C)(C)C,UASXMDCEGIWUAC-SFHVURJKSA-N
-rxn:4:185540:224159,COc1ccc(-c2cccc3c2ccn3C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)N(C)C)ccc2C1=O,FUBGYOKWTVCCNI-UHFFFAOYSA-N
-rxn:4:185548:224845,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C)c32)cc1OC,XDKWXUGOKUHIRI-UHFFFAOYSA-N
-rxn:4:185587:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc(=O)sc5c4)cc3)c(F)c2)CC1,SHAIHOQZDUCGFY-UHFFFAOYSA-N
-rxn:4:185591:224620,COC(=O)C1=Cc2cc(-c3ccc(CO[Si](C)(C)C(C)(C)C)nc3)ccc2N(Cc2ccc(OC)cc2)CCC1,JXWIRDCKMMLGSQ-UHFFFAOYSA-N
-rxn:4:185608:223755,CC1CCN(CCCOc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(S(=O)(=O)c4ccccc4)C5)cc3)cc2F)CC1,AGJGKWBWIYEETG-UHFFFAOYSA-N
-rxn:4:185629:222424,Cc1oc2cc(OCCN3CC(C)OC(C)C3)ccc2c(=O)c1-c1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1,YKOAUZQRTCSXGE-UHFFFAOYSA-N
-rxn:4:185648:227248,CCCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,LUBVISUYTLFZLU-UHFFFAOYSA-N
-rxn:4:186059:223588,CCCCOc1ncc(Cl)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,SYMLBEYDFUZIOV-UHFFFAOYSA-N
-rxn:4:186282:223895,CCOC(=O)c1cc(-c2ccc(OCCN3CCN(CC)CC3)cc2)cc(S(N)(=O)=O)c1,WYNQHNTWAYCGME-UHFFFAOYSA-N
-rxn:4:186326:223712,CCOC(=O)C1CC1c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)nc1,DFCQZWXOIGDAJM-UHFFFAOYSA-N
-rxn:4:186368:223784,CCN1CCN(CCOc2ccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)cc2F)CC1,FCPKUYCGYATTCJ-UHFFFAOYSA-N
-rxn:4:186368:223952,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1OC,DJOKXXKFCGCZNZ-UHFFFAOYSA-N
-rxn:4:186368:223999,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1OC,ARCHTXLIDWOERE-UHFFFAOYSA-N
-rxn:4:186368:224146,COC(=O)c1cc(S(N)(=O)=O)c(-c2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)cc1OC,IHFRMDCCEWQADG-UHFFFAOYSA-N
-rxn:4:186368:224316,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)cc1OC,IHYXBCCIOKADPQ-UHFFFAOYSA-N
-rxn:4:186540:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(C(F)(F)F)c3)cn2)C1,FNHLVYAVULYETJ-UHFFFAOYSA-N
-rxn:4:186629:223582,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2ccc(C(=O)OC)cc2n1C(=O)OC(C)(C)C,JXIFSMVAQMBKFR-UHFFFAOYSA-N
-rxn:4:186629:223886,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,JQBNZCYEEUOTFS-UHFFFAOYSA-N
-rxn:4:186629:223998,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,XQLWOPIMUQXEII-UHFFFAOYSA-N
-rxn:4:186629:224328,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,XQHSAAIWGSSJQO-UHFFFAOYSA-N
-rxn:4:186658:223993,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,XFMMUMSRPFAMHK-UHFFFAOYSA-N
-rxn:4:186685:222604,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1,FFBLFPHLILFBJH-UHFFFAOYSA-N
-rxn:4:186697:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(OCC(=O)N4CCC4)c(C)c3)c2)C1,HDALYBJMSSZNNX-UHFFFAOYSA-N
-rxn:4:186751:226844,O=C(c1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)ccn1)C(F)(F)F,IIKRYVQECTZRIT-UHFFFAOYSA-N
-rxn:4:186773:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCCN2CCCC2)cc1F,SMYYTEPVOMYZGR-UHFFFAOYSA-N
-rxn:4:186820:225187,O=C(c1cc(OC(F)(F)F)cc(-c2cc(Cl)ccc2CN2CCOCC2)c1)N1CCSCC1,IAHHFSASUVEQSQ-UHFFFAOYSA-N
-rxn:4:186910:223508,CC(C)(C)S(=O)/N=C/c1cc(C(F)(F)F)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,DDHNMLNMLZYPGR-DPNNOFEESA-N
-rxn:4:186919:225529,CCN(CC)Cc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)C2)cc1F,KLIRTXMULSVHLA-UHFFFAOYSA-N
-rxn:4:186980:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cc(OC(F)F)cc(C(=O)N3CCCCC3)c2)c1,JODWXYMBYFNPGT-UHFFFAOYSA-N
-rxn:4:187027:224969,Cc1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)ccc1C(=O)OC(C)(C)C,XZUYXQCTBOWPBT-UHFFFAOYSA-N
-rxn:4:187054:223753,Cc1ccc(-c2c(OCC3CCCCC3)cccc2[N+](=O)[O-])cc1OCCCN1CCN(C)CC1,VAJYYMJUUGNRHO-UHFFFAOYSA-N
-rxn:4:187067:224744,CCOC(=O)c1cc(-c2cc(Cl)c(C(=O)OC(C)(C)C)cc2F)ccc1N1CCOCC1,QCNJXXJISQVOOT-UHFFFAOYSA-N
-rxn:4:187121:224683,CCN(C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1)C1CCS(=O)(=O)C1,OSTZPNVSYNPCJL-UHFFFAOYSA-N
-rxn:4:187151:225329,N#Cc1cc(-c2cc(F)ccc2CC(=O)N2CCCC(C(F)(F)F)C2)ccc1OCC(F)(F)F,CXKWXIJVVUXYTI-UHFFFAOYSA-N
-rxn:4:187152:224810,O=C(Cc1ccc(F)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,VYSAZGSMCVEDOW-UHFFFAOYSA-N
-rxn:4:187153:222506,O=C(NCc1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)c(Cl)c1,BVQIYOSZRAQCRK-UHFFFAOYSA-N
-rxn:4:187153:225087,CN(C)CCCOc1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)cc1F,PCFPKZUVORSEFY-UHFFFAOYSA-N
-rxn:4:187162:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)CC3SC(=O)N(c4ccccc4)C3=O)cc2)c1,FVYNOPMDFUOHQS-UHFFFAOYSA-N
-rxn:4:187192:224022,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,VZYAHBGNRFZMST-HHBPTRCMSA-N
-rxn:4:187212:222886,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(N4CCNCC4)cc3C#N)c(F)c2)C1,MCEGXOSBPKQRPZ-UHFFFAOYSA-N
-rxn:4:187221:225232,CC1CCN(c2cc(-c3cc(F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cnc2Cl)CC1,BCQPYGYEBKQSQN-UHFFFAOYSA-N
-rxn:4:187226:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N(C(=O)C(C)C)C2C=CS(=O)(=O)C2)cc1,AQCAPXFCGZPKNT-UHFFFAOYSA-N
-rxn:4:187253:222616,CC(C)(C)c1cc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)cc(C2CCNCC2)c1,HEYWASTUWYDSRJ-UHFFFAOYSA-N
-rxn:4:187271:223279,FC(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCC(C(F)(F)F)CC2)c1,KSNYADCJAVSMGC-UHFFFAOYSA-N
-rxn:4:187286:222635,Cc1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c(C(=O)N(C(C)C)C(C)C)c1,KPVXNOHMOFCDAH-FQEVSTJZSA-N
-rxn:4:187297:223712,COc1ccc(-c2ccc(CCN3CCC(OC)CC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,QBDZNLWSUSIBAF-UHFFFAOYSA-N
-rxn:4:187310:223945,CC1CCCCN1CCOc1c(F)cc(Cl)cc1-c1ccc(OCCCN2CCOCC2)c(F)c1,FFFQOFHGAVQQQG-UHFFFAOYSA-N
-rxn:4:187318:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(C(=O)OC)cc2CN2CCOC(C)C2)c1,KJOWMLIQVOWGOR-UHFFFAOYSA-N
-rxn:4:187373:223602,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,ZNINFGGJDOQSAX-UHFFFAOYSA-N
-rxn:4:187378:225769,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2cc(OCC3CC3)c(F)cc2F)C1,MALVKDJRMZCQDO-UHFFFAOYSA-N
-rxn:4:187379:222916,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2cccc(C(=O)NC3=NCCS3)c2)CC1,SSMQEGHASAZPII-UHFFFAOYSA-N
-rxn:4:187384:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3C(=O)CCN3C(=O)OC(C)(C)C)c2)c1,MFGDVLDARUGQKV-UHFFFAOYSA-N
-rxn:4:187408:224194,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)CC(C)N4CCCCC4)cc3)cc2Cl)CC1,HSPHXWFCOYCWPA-UHFFFAOYSA-N
-rxn:4:187409:222925,CC1CCCC(C)N1C(=O)COc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1,DNWQCORWEAJPQN-UHFFFAOYSA-N
-rxn:4:187411:222770,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)cc1,OEGDUUJGAWNCEW-UHFFFAOYSA-N
-rxn:4:187418:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,WNDUFLDMHNPVHI-UHFFFAOYSA-N
-rxn:4:187433:225278,COC(=O)c1ccc(-c2cc(C(=O)OC)ccc2C(=O)OC)c(CN2CCCC(C)C2)c1,SXGFKNDYNNSZOE-UHFFFAOYSA-N
-rxn:4:187435:224321,COC(=O)C1CCN(Cc2cc(C)cc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1,MRTRMSGXQJBTDJ-UHFFFAOYSA-N
-rxn:4:187445:224775,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cc2F)C1,FQCRDMBUFXCKJV-UHFFFAOYSA-N
-rxn:4:187476:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC3CCN(CC(C)C)CC3)cc2)c1,PLBVLFGMYWWFCJ-UHFFFAOYSA-N
-rxn:4:187483:222514,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c(OC)c1,VJGOYJZYNNADCK-UHFFFAOYSA-N
-rxn:4:187492:224775,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)c2)C1,CWTXDDPCHZDMMQ-UHFFFAOYSA-N
-rxn:4:187496:223970,Cc1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,HVEBKSJTNPPDNL-UHFFFAOYSA-N
-rxn:4:187501:225561,CC(C)Oc1cccc(-c2ccccc2C(=O)OC(C)(C)C)c1CN1CCCC(F)(F)C1,TYQWUYYUAKMIAD-UHFFFAOYSA-N
-rxn:4:187523:224323,Cc1cc(-c2ccc(C(=O)c3ccc(CN4CCOCC4)cc3)c(F)c2)cc(C)c1S(=O)(=O)N1CCCC1,VCPCJWOSJMKORU-UHFFFAOYSA-N
-rxn:4:187536:222719,O=C(c1ccc(Oc2ccccc2-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc1)N1CCCC(F)(F)C1,JBHZQGCPSMFLGI-UHFFFAOYSA-N
-rxn:4:187551:222634,COc1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,GJQQXQHTCZPYFY-UHFFFAOYSA-N
-rxn:4:187552:222614,CCOc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CC(C)OC(C)C1,HAQZQRNYIKAUCU-UHFFFAOYSA-N
-rxn:4:187572:224769,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2)C1,BAUYZJYTDLGGIW-UHFFFAOYSA-N
-rxn:4:187584:223840,COc1ccc(-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCN(C)CC1,MIOUSPMAVMFQOF-UHFFFAOYSA-N
-rxn:4:187595:226844,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,RDDOXZGTZRNLDZ-UHFFFAOYSA-N
-rxn:4:187596:223528,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,QVIWPWIGIZZARE-UHFFFAOYSA-N
-rxn:4:187632:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1,MGBKPNDEEZVDIL-UHFFFAOYSA-N
-rxn:4:187634:222958,Cc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1C1CCNCC1,MIHURNOPIAWFEJ-UHFFFAOYSA-N
-rxn:4:187634:225621,Cc1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)ccc1OC1CCOC1,INOKDWGHXYWYRY-UHFFFAOYSA-N
-rxn:4:187659:224405,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1,HMFQAIDTFUWEIG-UHFFFAOYSA-N
-rxn:4:187660:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,MEFLJMJACDNNPG-UHFFFAOYSA-N
-rxn:4:187667:224270,Cc1c(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,XHXWHNGKMSQEQZ-UHFFFAOYSA-N
-rxn:4:187672:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(CN5CCCC(C(F)(F)F)C5)cc(C(C)(C)C)c4)c3)cccc12,LRFIEXMGZKBGTQ-UHFFFAOYSA-N
-rxn:4:187678:223998,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cc3)C2)cc1,NGIQBGAXSUCQBA-UHFFFAOYSA-N
-rxn:4:187683:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)c4ccc(CN5CCC6(CC5)OCCO6)cc4)cc3)cc2)CC1,ULEJOSSUVPBVJE-UHFFFAOYSA-N
-rxn:4:187684:225285,CC(C)Cc1ncc(-c2cccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c2)cc1C(F)(F)F,CBAXWPZMRIFKLA-UHFFFAOYSA-N
-rxn:4:187688:223157,CCNC(=O)c1cc(F)cc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2F)c1,VIQDAASXQKRMAG-UHFFFAOYSA-N
-rxn:4:187757:223559,CCOC(=O)c1cc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccnc2cc1OC,IATILZVGUOZDBY-UHFFFAOYSA-N
-rxn:4:187808:224656,COCCCN1Cc2cc(-c3ccc(OC)c(OC4CCCC4)c3F)ccc2OCC1=O,KSKZCVAWXWKAKE-UHFFFAOYSA-N
-rxn:4:187821:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1,LGQHWSDDPFNZJO-UHFFFAOYSA-N
-rxn:4:187918:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,FXQZIYQBMMKBHQ-UHFFFAOYSA-N
-rxn:4:187955:225213,CN1CCN(c2ccc(-c3ccccc3C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c(Cl)c2)CC1,ZLTNQOHCOQUTSP-UHFFFAOYSA-N
-rxn:4:187961:222835,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(CNC(=O)CC(C)C)cc3)cc1)CC(C)(C)CC2=O,RWKKHBBHLVNTPD-UHFFFAOYSA-N
-rxn:4:187968:223649,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,XGGFWAAWQVYAFI-UHFFFAOYSA-N
-rxn:4:187968:224720,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)ccc21,BYGQKDPURGWIAL-UHFFFAOYSA-N
-rxn:4:187973:224805,CCOC(=O)c1cc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc(C(F)(F)F)c1,KYMGVNRPMBTYFS-UHFFFAOYSA-N
-rxn:4:187975:222684,Cc1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,VCAWXNALZLCTOQ-UHFFFAOYSA-N
-rxn:4:187988:223753,Cc1ccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3cn(C)c5ccccc35)C4=O)cc2)cc1OCCCN1CCN(C)CC1,CFPYCETZBXOTAZ-UHFFFAOYSA-N
-rxn:4:187990:223557,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,WUTFOVIVZHLXLJ-UHFFFAOYSA-N
-rxn:4:188437:223506,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)o1,ITFXPEJCRJNBQV-UHFFFAOYSA-N
-rxn:4:188451:223697,COC(=O)c1cc(F)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c([N+](=O)[O-])c1,TWYQEEIFURXCEW-UHFFFAOYSA-N
-rxn:4:188683:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(S(N)(=O)=O)c(OC(F)(F)F)c3)ccc21,PDEBFDNHSCVKCG-UHFFFAOYSA-N
-rxn:4:188931:223755,COC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc(S(N)(=O)=O)c1Cl,VKFUEQGJSIMTKJ-UHFFFAOYSA-N
-rxn:4:189216:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(F)c3)cc2)CC1,ZLHZHZGHRLEDFC-UHFFFAOYSA-N
-rxn:4:189389:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1)C1CCCCC1,KXUGTMYKPCSWQB-UHFFFAOYSA-N
-rxn:4:189391:225155,O=C(c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CC(F)(F)C2)cc1)N1CCOCC1,LPQMGKBEDNNGHB-UHFFFAOYSA-N
-rxn:4:189412:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC(C)(C)C)cc1OCCCN1CCN(C)CC1,DGYBQYYHSZALLR-UHFFFAOYSA-N
-rxn:4:189500:222629,CC(C)(C)c1cc(-c2cc(N3CCCC3=O)ccc2OC(F)(F)F)cc(C2CCCNC2)n1,IQRQXJSXEGSUJP-UHFFFAOYSA-N
-rxn:4:189602:222684,Cc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,PYNUURVNTGDHKO-UHFFFAOYSA-N
-rxn:4:189627:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ncccc2OCC2CCOCC2)CC1,TUADIECRAYFEPS-UHFFFAOYSA-N
-rxn:4:189742:223588,Cc1cc(-c2cccc(C(=O)N(C)c3ccccc3F)c2Cl)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NQPRDMXDANZGHU-UHFFFAOYSA-N
-rxn:4:189837:223959,CCN1CCN(C(=O)c2cc(-c3coc(CN4CCC(C(F)(F)F)CC4)c3)ccc2Cl)CC1,BMABAZNSMMHGBB-UHFFFAOYSA-N
-rxn:4:189864:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cc(N2CCCCC2=O)ccc1OC(F)(F)F,WDLKHWKRFUHGDR-UHFFFAOYSA-N
-rxn:4:189888:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)C2)c(C(F)(F)F)c1,NSUGFKPAFACTHL-UHFFFAOYSA-N
-rxn:4:189972:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)c1,OLSWYTAGLCGTFB-UHFFFAOYSA-N
-rxn:4:190016:224612,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1,FWSYEXRDKVJSGI-UHFFFAOYSA-N
-rxn:4:190048:224337,O=C(c1cc(C(F)(F)F)ccc1-c1cnc(C(F)(F)F)c(C2CCCCC2)c1)N1CCCCC1,KKEUMIIQWJROES-UHFFFAOYSA-N
-rxn:4:190107:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CS(=O)(=O)N2CCCCC2)cc1,FWCFNLQSCYZONQ-UHFFFAOYSA-N
-rxn:4:190110:222684,O=C(C1CC1)N1CCCC1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,HEKMOCYMAGSOCB-UHFFFAOYSA-N
-rxn:4:190166:222466,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C(F)(F)F)c1)N1CCCCC1,SDGSHMVEHJNCHR-UHFFFAOYSA-N
-rxn:4:190208:223502,CC1CN(CCc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2F)CCO1,YTBFXSIOBTYUMJ-UHFFFAOYSA-N
-rxn:4:190210:224722,Cc1cc(OC2CCCCC2)c(-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],QVBVSDYRRYQIHU-UHFFFAOYSA-N
-rxn:4:190227:222604,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)cc1S(=O)(=O)NC1CCCC1,DJYRIQJEBKOEKD-UHFFFAOYSA-N
-rxn:4:190294:222774,Cc1cc(C(=O)N2CCC(C(F)(F)F)CC2)c(F)c(-c2ccc(F)c(CN3CCC(O)CC3)c2)c1,WLTIGSMRBVIYFR-UHFFFAOYSA-N
-rxn:4:190296:224256,COc1ccccc1C=C1SC(=S)N(c2cccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)c2)C1=O,HVZIYNIDOXDDRS-UHFFFAOYSA-N
-rxn:4:190297:222684,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1=O,PZMYLWWFIPBPOG-UHFFFAOYSA-N
-rxn:4:190300:222583,COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O,LVFGUPGFAOOUAY-UHFFFAOYSA-N
-rxn:4:190326:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCN(C(=O)C4CC4)CC3)cc2)c1,GDHGMXWEMFTPHM-UHFFFAOYSA-N
-rxn:4:190327:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(S(C)(=O)=O)ccc3CN3CCCCC3)c2)CC1,DEKSZJMPRRZCLR-UHFFFAOYSA-N
-rxn:4:190334:224819,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N1CCCC(C)C1,SFLKYWQAKIHDPU-UHFFFAOYSA-N
-rxn:4:190339:223748,CC(c1cccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1)N1CCCC(C(F)(F)F)C1,FAHFUGSWPLZUGJ-UHFFFAOYSA-N
-rxn:4:190340:223491,CC(c1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,SOEJIVXLLFYEOW-UHFFFAOYSA-N
-rxn:4:190373:222826,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,DXKAQPOZNIGHOK-UHFFFAOYSA-N
-rxn:4:190374:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,CLZMTTICKRYIIP-UHFFFAOYSA-N
-rxn:4:190394:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(F)c(N3CCCC(C(=O)C(C)C)C3=O)c2)cc1,FRLJPFXXGAVVFM-UHFFFAOYSA-N
-rxn:4:190410:223775,COc1ccc2c(c1)c(-c1ccc(C3CCN(C(=O)C(C)C)CC3)cc1)cn2C(=O)OC(C)(C)C,LBGPJBNDNVKCCP-UHFFFAOYSA-N
-rxn:4:190413:222424,COc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c(C(=O)N2CCC(=C3CC3)CC2)c1,UYNRTWSTXFZNNN-UHFFFAOYSA-N
-rxn:4:190419:222896,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2ccc(CNC(=O)OC(C)(C)C)s2)C1=O,SWMLITKFUXNQAM-UHFFFAOYSA-N
-rxn:4:190448:224277,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,XRNLJNGKDXZDKC-UHFFFAOYSA-N
-rxn:4:190472:224196,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1cc(F)cc(CN2CCN(CC)CC2)c1,GVXWKXVHKMPFAB-UHFFFAOYSA-N
-rxn:4:190486:224008,O=C(c1cc(-c2ccc(C3CCCN3CC3CCCCC3)cc2)cc([N+](=O)[O-])c1)N1CCOCC1,YDKHRRQHZOZHFL-UHFFFAOYSA-N
-rxn:4:190488:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,DDFLEOSYEQRBOG-UHFFFAOYSA-N
-rxn:4:190785:223682,O=C(Cc1ccccc1-c1c(C(F)(F)F)ccc2c1cnn2C1CCCCO1)N1CC2CC1CS2,RFALFKBLRNNPEG-UHFFFAOYSA-N
-rxn:4:190829:222751,Cc1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C,FNYQAQUENDVXIR-UHFFFAOYSA-N
-rxn:4:190897:224321,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)o1,NMRACHSWLADBBV-UHFFFAOYSA-N
-rxn:4:190926:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)ccc2F)CC1,MESUGZQAXXUSJP-UHFFFAOYSA-N
-rxn:4:190928:222906,COC(=O)c1cc2c(c(-c3cnccc3NC(=O)OC(C)(C)C)c1)N(C(C)C)CCC2=O,YNWMMHHQLGHORC-UHFFFAOYSA-N
-rxn:4:190952:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1F,RFWMLWQTQQFDJJ-UHFFFAOYSA-N
-rxn:4:190976:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)cc1,JBHJOWNOIJTUGJ-UHFFFAOYSA-N
-rxn:4:190982:222896,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc21,IHBGQORZJKWQJY-UHFFFAOYSA-N
-rxn:4:190986:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1,IMFKZNKIVWQWPV-UHFFFAOYSA-N
-rxn:4:190991:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)c1,QEZYAVUPKLCFER-UHFFFAOYSA-N
-rxn:4:191008:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1Cl,KESRMEMHKMIFCB-UHFFFAOYSA-N
-rxn:4:191012:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1c2ccccc2CC1C,UABIAZYLYRLKRH-UHFFFAOYSA-N
-rxn:4:191028:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)OC)S(=O)(=O)c5cc(F)ccc54)cc3C)cc2)CC1,UMILFYGEXSJMHD-UHFFFAOYSA-N
-rxn:4:191041:225438,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)cc1)N1CCCC1,ZBKQHTGIVQRLHE-UHFFFAOYSA-N
-rxn:4:191057:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,XNXDVHKLEZZSPT-UHFFFAOYSA-N
-rxn:4:191058:224566,COC(=O)C1CCN(C2CCc3cc(-c4ccc(C5(C(=O)OC)CCCC5)cc4)ccc32)CC1,MKSHKYMJRJYZNH-UHFFFAOYSA-N
-rxn:4:191062:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,XLCGGKBBRMVSND-UHFFFAOYSA-N
-rxn:4:191062:223010,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2(O)CCOCC2)cc1,ILEAYQTWOPLQQW-UHFFFAOYSA-N
-rxn:4:191067:225312,CN1CCCN(c2ncc(-c3cc(C4SCCN4S(=O)(=O)c4ccc5c(c4)CCO5)ccc3F)cn2)CC1,QNJKDOAVPBPPQF-UHFFFAOYSA-N
-rxn:4:191071:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(c1)CN(CCC1=CCCCC1)C(=O)CO2,DHMOWSQMVHWJMX-UHFFFAOYSA-N
-rxn:4:191073:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)cc1,GZBWYCXYJLENOV-UHFFFAOYSA-N
-rxn:4:191075:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc([C@@]34CN(Cc5ccccc5)C[C@@H]3S(=O)(=O)C4)cc2)c1,DNENRVMIXYVCHI-SMCANUKXSA-N
-rxn:4:191097:223690,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1S(=O)(=O)c1ccc(C)cc1,AXNXMPNQOHLFDA-UHFFFAOYSA-N
-rxn:4:191097:226307,COCc1cc(C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1OC,ZEFNFONOVIAWTP-UHFFFAOYSA-N
-rxn:4:191103:226226,COCCOCc1ccccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,NCAZHQADLIRNDT-UHFFFAOYSA-N
-rxn:4:191103:227075,COc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,UCHUZDZOECNXRJ-UHFFFAOYSA-N
-rxn:4:191104:227473,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cccc(CC[N+](=O)[O-])c3)cc12,QFGCZGKLOWXCCR-UHFFFAOYSA-N
-rxn:4:191105:222536,Cc1ccc(NC(=O)c2cccc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,OZLPNQOZLDOCFD-UHFFFAOYSA-N
-rxn:4:191105:226917,Cc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)(C)C)c1,FYUXKYHPFXBYIO-UHFFFAOYSA-N
-rxn:4:191105:227049,CCOc1c(C)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C,QMRDEBPZZSKYNX-UHFFFAOYSA-N
-rxn:4:191106:223966,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)ccc21,IYZTZTXABDESDJ-UHFFFAOYSA-N
-rxn:4:191106:224397,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)ccc21,CDFWBSCBFQFWLJ-UHFFFAOYSA-N
-rxn:4:191111:223753,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)c3ccccc3S2(=O)=O)cc1,MEMOPVZLAWAZRC-UHFFFAOYSA-N
-rxn:4:191120:226727,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cccc(SCC(F)(F)F)c3)cc1C2=O,ZFZUYDCWFKLESV-UHFFFAOYSA-N
-rxn:4:191123:227002,CCCOc1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,DHMGSNPBMMDSMI-UHFFFAOYSA-N
-rxn:4:191125:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,ANGUZOWLACZLIO-UHFFFAOYSA-N
-rxn:4:191126:223520,CC(c1ccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,WLSHWRLFEZAPTD-UHFFFAOYSA-N
-rxn:4:191132:222633,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)c3ccccc3S2(=O)=O)c(C)c1,MXGJABAMJSHZME-UHFFFAOYSA-N
-rxn:4:191134:222896,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1,SARVXZGIIIPFKB-UHFFFAOYSA-N
-rxn:4:191135:223497,CC(c1ccc(-c2cccc(C3(C)CC(C)(C)N(C(=O)c4ccccc4)c4ccccc43)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,QJFXWSMMIUOHPY-UHFFFAOYSA-N
-rxn:4:191150:225199,CC(C)(C)OC(=O)N1C2CCC1c1cc(-c3cc(F)c(OC4CCCC4)c(F)c3)ccc12,PIBOVEXLEVMJKP-UHFFFAOYSA-N
-rxn:4:191195:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,JLRRWEPEUPHDAS-UHFFFAOYSA-N
-rxn:4:191195:227286,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(=O)N(C)C)cc1)c1c2CCC1,TVZQTIBEQAVGBM-UHFFFAOYSA-N
-rxn:4:191195:229078,COc1cncc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,KCPJMMUMDJGBKO-UHFFFAOYSA-N
-rxn:4:191626:223480,Cc1cc(-c2cc([N+](=O)[O-])c(F)cc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCAHQZXBNJNUCF-UHFFFAOYSA-N
-rxn:4:191982:223481,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(F)cn1,BUSIHXHEHVAUJR-UHFFFAOYSA-N
-rxn:4:192235:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(S(N)(=O)=O)cc3Cl)c(F)cc2C)CC1,GTFCZTYIKIWTHE-UHFFFAOYSA-N
-rxn:4:192602:223697,O=C1CSC(=O)N1Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1,TZNDIBMLWGMJMI-UHFFFAOYSA-N
-rxn:4:192623:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(S(C)(=O)=O)cc3S(N)(=O)=O)c(F)cn2)CC1,SUNYACSYXXSZTQ-UHFFFAOYSA-N
-rxn:4:192773:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(C=C2N=C(SC)SC2=O)c1,NVNHMYOPBSXRIB-UHFFFAOYSA-N
-rxn:4:193195:223753,C=C1CCCN(C(=O)c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)o2)C1,NOFYKXYULMBQEI-UHFFFAOYSA-N
-rxn:4:193205:223894,CN1CCN(CCCOc2cccc(-c3ccc(CN4CCC(F)(F)CC4)o3)c2)CC1,IJCPOPBNHFJMCQ-UHFFFAOYSA-N
-rxn:4:193262:223893,CCN1CCN(CCOc2cccc(-c3ccc(C4CCCC4)nc3C(F)(F)F)c2)CC1,RKDXCFGJSRSUBY-UHFFFAOYSA-N
-rxn:4:193277:224198,CCN1CCN(Cc2ccc(-c3cccc(C=C4SC(=S)N(CC)C4=O)c3)c(F)c2)CC1,FZLDVVZIPKNUQR-UHFFFAOYSA-N
-rxn:4:193405:223787,CN1CCN(CCCOc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2F)CC1,QTGMTOWHHPNJCN-UHFFFAOYSA-N
-rxn:4:193421:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)N4CCCC4)ccc3C)c(F)cc2C)CC1,VSYLUXZMQNQHCF-UHFFFAOYSA-N
-rxn:4:193456:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCOCC4)c(OC)c3)c(F)c2)CC1,SGMYQURNAXSACS-MEMLXQNLSA-N
-rxn:4:193474:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CC(C)(C)C4)c(F)c3)c(C(F)(F)F)c2)C1,JNNNCAQVTQFHCV-UHFFFAOYSA-N
-rxn:4:193488:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C)cc(C(=O)N4CCCC4)c3F)cc2)CC1,BBCOFJZZVVDPHO-UHFFFAOYSA-N
-rxn:4:193490:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCCC4)c3C)cc2)CC1,PKIKDXQFKYVZID-UHFFFAOYSA-N
-rxn:4:193501:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)c3ccccc23)CC1,NURAUCRPIQPDRF-UHFFFAOYSA-N
-rxn:4:193518:224059,COc1c(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3C)cc2)cc(C(C)(C)C)cc1C(C)(C)C,YNFPMNODWNAFJQ-UHFFFAOYSA-N
-rxn:4:193575:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCCN4S(C)(=O)=O)cc3)cc2)CC1,YJGCAUQQIYJMTL-UHFFFAOYSA-N
-rxn:4:193697:222724,CS(=O)(=O)N1C=CC(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,GJPVGZMCSHVROQ-UHFFFAOYSA-N
-rxn:4:193698:223559,CC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(-n2c(C)ccc2C)c1F,VDAUBLDOKGZHMS-UHFFFAOYSA-N
-rxn:4:193699:222826,Cc1cc(F)c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCOCC1,VHYGSTWIUCRXMN-UHFFFAOYSA-N
-rxn:4:193707:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4SCC(=O)N4c4ccc(F)cc4)cc3)c(F)c2)CC1,UUIUIZXDPMPELB-UHFFFAOYSA-N
-rxn:4:193742:223712,COc1ccc(-c2ccc(N3CCOCC3)c(C3CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,XOVALYMZAAQZPN-UHFFFAOYSA-N
-rxn:4:193776:224570,CC(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCS4)o2)cc1)N1CCN(C)CC1,QYFOXNJRVQUGRZ-UHFFFAOYSA-N
-rxn:4:193778:224286,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)c1,XXMWYCWUQIQZRV-UHFFFAOYSA-N
-rxn:4:193825:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C3(N4CCC(=O)CC4)CC3)c2)c1,QDKJLFGMDNXUER-UHFFFAOYSA-N
-rxn:4:193842:222684,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,HIPRYYQPUPKQSY-UHFFFAOYSA-N
-rxn:4:193846:224248,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCCC1,BZRAOIWTCWILBI-UHFFFAOYSA-N
-rxn:4:193959:224352,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CCCOC2)c(C(F)(F)F)c1,KPZOEWQRMBQBEH-UHFFFAOYSA-N
-rxn:4:193973:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)c3)cccc12,OOKUQHBITKPGDZ-UHFFFAOYSA-N
-rxn:4:194189:223497,COC(=O)c1ccc2c(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cccc2n1,ZRAYDHPODPRWPT-UHFFFAOYSA-N
-rxn:4:194421:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(=O)N2CC3CC2CS3)c1,NUHLTMVDCINFMD-UHFFFAOYSA-N
-rxn:4:194421:223992,Cc1ccc(-c2cccc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCN(C)CC1,SXDZLWNTUCMSMR-UHFFFAOYSA-N
-rxn:4:194439:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cc21,ZOZYOJCQXFMGFK-UHFFFAOYSA-N
-rxn:4:194456:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CC3CC2CS3)cc1,FNJGJQLXQXOJJK-UHFFFAOYSA-N
-rxn:4:194572:224853,CC1(C)CCC(c2ccc(-c3ccccc3S(=O)(=O)N3CC4CC3CS4(=O)=O)cc2)CC1,GWUKRWRMUUTYQZ-UHFFFAOYSA-N
-rxn:4:194641:224767,O=C(c1cccc(-c2ccc3c(c2)CN(C(=O)C2CCCO2)CC3)c1F)N1CCOCC1,IZIFZTDIJDNLFS-UHFFFAOYSA-N
-rxn:4:194679:223699,COc1cccc2c1OCC(=O)N(c1cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c1)C2,AHRFBSTXGSRLPK-UHFFFAOYSA-N
-rxn:4:194697:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3ccc4c(c3)C(=NS(=O)C(C)(C)C)CCC4)cc2C1,HSZDMDVMMVGYEO-UHFFFAOYSA-N
-rxn:4:194731:224664,COC1CCN(C2CCc3ccc(-c4cc(F)cc(CN5CCN(C)CC5)c4)cc32)CC1,VUSZJOWBSRGTMF-UHFFFAOYSA-N
-rxn:4:194750:222598,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C)c1S(=O)(=O)NC1CCCC1,HEWBNFMFYCHAQU-UHFFFAOYSA-N
-rxn:4:194750:222916,O=C(NC1=NCCS1)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)c1,QDKFRTUIJNQVAG-UHFFFAOYSA-N
-rxn:4:194768:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCCC3N2CCC(OC)CC2)cc1,BKBZVIOTTLWFTR-UHFFFAOYSA-N
-rxn:4:194768:224187,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCCCC5)cc4F)ccc32)CC1,UBRAZNWFPKQFSN-UHFFFAOYSA-N
-rxn:4:194768:225061,COC1CCN(C2CCCc3cc(-c4ccc(N5CCC(C)CC5)cc4F)ccc32)CC1,MNRRUOZMNBVELN-UHFFFAOYSA-N
-rxn:4:194785:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)cc3)cc2F)CC1,HCGWAKGWQNMTCC-UHFFFAOYSA-N
-rxn:4:194791:226844,O=C1C2C(c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,PRIDPNUEKMWEML-UHFFFAOYSA-N
-rxn:4:194799:222889,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)C(=O)C12,GIWHHFIOHFEWFH-UHFFFAOYSA-N
-rxn:4:194801:226844,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,ZUSIRJDHEGJCAZ-UHFFFAOYSA-N
-rxn:4:194802:225309,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cc(C6CC6)cc(C(F)(F)F)c5Cl)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,OVXFLIKPDNOKBQ-UHFFFAOYSA-N
-rxn:4:194933:223492,Cc1cc(-c2cc(C#N)oc2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VFHTUQMKZKPIKO-UHFFFAOYSA-N
-rxn:4:196195:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3N3C(=O)C=CC3=O)cc2)CC1,OZGCNQLBDKVYAK-UHFFFAOYSA-N
-rxn:4:197224:223699,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc2c1OCCO2,KAVKIVHGIIXTTG-UHFFFAOYSA-N
-rxn:4:197702:223505,CC12CC(c3cccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)n3)(C1)C2,PGJIYZMFHWKRKN-UHFFFAOYSA-N
-rxn:4:197942:222514,COc1ccc(-c2ccc3c(c2)CCC3N2CCCCC2)cc1S(=O)(=O)NC1CCCCC1,TWSVTHXCAIEUJG-UHFFFAOYSA-N
-rxn:4:197962:223840,COc1ccc(-c2cc3c(cc2[N+](=O)[O-])C(C)(C)CCC3(C)C)cc1S(=O)(=O)N1CCN(C)CC1,YNAKAKUBYNQWGR-UHFFFAOYSA-N
-rxn:4:197986:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc2c1CCCC2N1CCCCC1C,MEDLPWVDZVMQDG-UHFFFAOYSA-N
-rxn:4:197988:224704,CC1CCN(c2cc(-c3cccc4c3CCCC4N3CCC(C)CC3)cc(F)c2F)CC1,QXTLDUKPIKHGQJ-UHFFFAOYSA-N
-rxn:4:198069:225183,O=C1C2C3C=C(Cl)C(c4ccccc43)C2C(=O)N1c1cccc(-c2ccc(OC3CCCCC3)nc2F)c1,RBTTUBIUXDYBJT-UHFFFAOYSA-N
-rxn:4:199463:224679,CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1-c1cc(Cl)cc(C(=O)N2CCCCC2)c1,MPVZVYRKRYCNQM-UHFFFAOYSA-N
-rxn:4:199469:224566,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)cc1C#N,JLBVATRUUQILHB-UHFFFAOYSA-N
-rxn:4:199500:224690,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(CN3CCC(=O)CC3)cc2F)cn1,MAXVNRCEIROBST-UHFFFAOYSA-N
-rxn:4:199537:223596,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,NQIIEVJPENUIFV-UHFFFAOYSA-N
-rxn:4:199539:222855,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(OC)cc(C3CCCNC3)c2)cc1,PXOUNEXNVQOBST-UHFFFAOYSA-N
-rxn:4:199539:225313,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(N3CCN(C)CC3)nc2F)cc1,YHRSRAXXVUPCRA-UHFFFAOYSA-N
-rxn:4:199614:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(OC2CCN(C(=O)c3cccc(OC(F)(F)F)c3)C2)nc1,SKVKWHRRTDKZNC-UHFFFAOYSA-N
-rxn:4:199637:225325,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)cc([N+](=O)[O-])c1,WLYGCGZODWIUBR-UHFFFAOYSA-N
-rxn:4:199648:223895,CCN1CCN(CCOc2ccc(-c3cncc(OCC4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,JHVLJOSNQLGLEY-UHFFFAOYSA-N
-rxn:4:199714:227238,CCOC(=O)c1cccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,OYMLZRXKLSAJRO-UHFFFAOYSA-N
-rxn:4:199719:223675,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)CC1,HASXBCKCCGOHKN-UHFFFAOYSA-N
-rxn:4:199719:225767,CC(C)COc1c(F)cc(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,RJABSPQKGYXPES-UHFFFAOYSA-N
-rxn:4:199739:224612,CC(C)(C)OC(=O)N1CCN(CC(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,CLUIUSFBQJHQQG-UHFFFAOYSA-N
-rxn:4:199759:223279,C[Si](C)(C)CCOC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,OLHHORQUVWSIED-UHFFFAOYSA-N
-rxn:4:199769:224160,COc1cc(Cl)c(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YVLXDXGDFLGQJF-UHFFFAOYSA-N
-rxn:4:199775:224672,CCN1CCN(c2ccc(-c3ccccc3CCC3(C#N)CCN(S(=O)(=O)c4ccccc4)CC3)c(Cl)c2)CC1,IPJOCNGPISJHJU-UHFFFAOYSA-N
-rxn:4:199777:222439,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)cc3)C2)cc(=O)n1C1CC1,ODJZYSXTWQOWOX-UHFFFAOYSA-N
-rxn:4:199790:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,KJTNMYLQEUFVDM-UHFFFAOYSA-N
-rxn:4:199801:227263,CCOCc1ccc(-c2ccc(N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)cc1F,TXKKWRCOBRZMKS-UHFFFAOYSA-N
-rxn:4:199814:222997,COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)CC2)c1,QICRUPILZRPPFZ-UHFFFAOYSA-N
-rxn:4:199815:223993,COc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2)cc1OC,JEJBTTNDDWDGGZ-UHFFFAOYSA-N
-rxn:4:199817:222524,CCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,XPHKWMISUOHTOE-UHFFFAOYSA-N
-rxn:4:199825:227091,CN(Cc1ccc(-c2cncc(C3CCCC3)c2)cc1N1CCCCC1)C(=O)OC(C)(C)C,LTLZZMLMGRNROO-UHFFFAOYSA-N
-rxn:4:199867:226798,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc(-n3cccn3)c(Cl)c2)c(C2OCCO2)c1,SWYBONUTVXNMRX-UHFFFAOYSA-N
-rxn:4:199870:223104,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(NC(=O)C(F)(F)F)cc1,SMJWAHNZDSMDOG-UHFFFAOYSA-N
-rxn:4:199882:223612,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C(C)(C)C)c1,RCMGLPGRQQGTCL-IZLXSDGUSA-N
-rxn:4:199894:222913,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c21,RVWXEXJKBVNOEN-UHFFFAOYSA-N
-rxn:4:199909:222896,COC(=O)CSc1nc(-c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)c2c(c1C#N)CCC2,XHBPBQDCGLTWSG-UHFFFAOYSA-N
-rxn:4:199971:222703,COCCn1c(=NC(=O)c2ccccc2-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)sc2cc(S(C)(=O)=O)ccc21,RJQXDPTXBFZTBR-UHFFFAOYSA-N
-rxn:4:199999:227020,CC(C)(C)OC(=O)N=c1c2ccc(-c3cncc(C#CC4CC4)c3)cc2ccn1C(=O)OC(C)(C)C,GJYZZSIVUUVEGZ-UHFFFAOYSA-N
-rxn:4:200031:225723,CC(=O)N1CCc2cc(-c3ccc(OCCN(C)C)c(Cl)c3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,MKUUUQNOSJJABO-UHFFFAOYSA-N
-rxn:4:200039:223058,COc1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,BQKGLKHRVAPREN-UHFFFAOYSA-N
-rxn:4:200039:224971,COc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,SFINCAXCRJUQTM-UHFFFAOYSA-N
-rxn:4:200039:227269,CCOc1cccc(OC)c1-c1ccc(OC)c(CCC(=O)N2CCC(N3CCc4ccccc4C3)C2)c1,LNFDKWPFEDATDO-UHFFFAOYSA-N
-rxn:4:200041:222684,O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,ITCZYVJYRKGIGE-UHFFFAOYSA-N
-rxn:4:200044:224421,COc1ccc(CCn2c(-c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3)nc(=S)c3c2CCCC3)cc1OC,USYIMHRFIXUXHB-UHFFFAOYSA-N
-rxn:4:200048:227518,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1C#N,FFKBBVHHUFYZPE-UHFFFAOYSA-N
-rxn:4:200065:224612,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,ICWQNPDCYFJDDF-UHFFFAOYSA-N
-rxn:4:200065:227475,CCOC(=O)c1cncc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)c1,STTZYGQRYQRTOQ-UHFFFAOYSA-N
-rxn:4:200096:224203,CCOC(=O)c1ccc([N+](=O)[O-])c(-c2ccc(C(=O)N3CCCCC3)cc2OC)c1C#N,NLUIHZXFRDMBFD-UHFFFAOYSA-N
-rxn:4:200124:222540,COC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1-c1cccc(C(=O)NCCN2CCCCC2)c1,PSBVKKPRZBRNQV-UHFFFAOYSA-N
-rxn:4:200172:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccn(COC(=O)OC(C)(C)C)n3)cnc21,KNYBDANWWVVHMR-UHFFFAOYSA-N
-rxn:4:200261:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCCC2)cc1OCCCN1CCN(C)CC1,VFLQOMGWZPVISP-UHFFFAOYSA-N
-rxn:4:200280:224369,CCC(=O)N1CCN=C1SCc1ccc(-c2cc(S(=O)(=O)N(CC)CC)c(C)cc2F)cc1,CGPRPBPENUAKCG-UHFFFAOYSA-N
-rxn:4:200367:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C#N)c2)cc1,GQRDUUYBLVSVLW-UHFFFAOYSA-N
-rxn:4:200387:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(COc2cccnc2)C1,IBYNLEAXSUPRQA-UHFFFAOYSA-N
-rxn:4:200394:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc(F)cc4)cc3)cc2)CC1,BBFFDHDKYUORSN-UHFFFAOYSA-N
-rxn:4:200399:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4ccccc4F)c3)cc2F)CC1,AUNXZUOLXODSTO-UHFFFAOYSA-N
-rxn:4:200441:224125,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1,DNCOSHHSOJZEGB-UHFFFAOYSA-N
-rxn:4:200459:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)CN3C(=O)C(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)c1,ZPXWMSMOONPCTA-UHFFFAOYSA-N
-rxn:4:200479:222424,COCCN1CCN(S(=O)(=O)c2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,RKOKVSDSZJDMSI-UHFFFAOYSA-N
-rxn:4:200484:226844,CN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC(F)(F)F)CC1,ULYJZRIQBUTLTG-UHFFFAOYSA-N
-rxn:4:200490:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(CSc5ccccn5)CC4)o3)cc2)CC1,VENSZWUQSOOIOJ-UHFFFAOYSA-N
-rxn:4:200512:222896,COc1ccc([N+](=O)[O-])cc1N1C(=O)CC(Sc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)C1=O,SUPAIWCEQXYHJJ-UHFFFAOYSA-N
-rxn:4:200512:224612,COc1ccc([N+](=O)[O-])cc1N1C(=O)CC(Sc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)C1=O,URFBGASCYFSYDK-UHFFFAOYSA-N
-rxn:4:200513:222645,O=C(c1cc(-c2cccc(OCCN3CCC(O)CC3)c2)ccc1Cl)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1,PUJTZYZRKVQLFC-UHFFFAOYSA-N
-rxn:4:200515:226844,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZUQVUOLTORCCQJ-UHFFFAOYSA-N
-rxn:4:200519:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c1,VKHPLIAZGSUPCV-NRFANRHFSA-N
-rxn:4:200520:223279,O=C(CCc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(N2C(=O)CSC2=O)C1,YGNIEOUKZXAQRU-UHFFFAOYSA-N
-rxn:4:200557:222424,CCCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)CC1,MRZJIRRWSSEQCG-UHFFFAOYSA-N
-rxn:4:200568:222624,CCOc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,BVKTXCFJNBLVDS-UHFFFAOYSA-N
-rxn:4:200568:223133,CCOc1ccc(-c2ccccc2N2CCNCC2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,ZJDHUWVEWLVLPX-UHFFFAOYSA-N
-rxn:4:200579:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,ZQNFEFPRXLGOKL-UHFFFAOYSA-N
-rxn:4:200579:223810,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,PRRIEPGBAYEWTI-UHFFFAOYSA-N
-rxn:4:200581:224796,Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)cc2)cc1,MUWQBSVWIJMZMI-UHFFFAOYSA-N
-rxn:4:200595:223123,CC(C)C(=O)Nc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,KDCGSMQWUNIFBQ-UHFFFAOYSA-N
-rxn:4:200600:223141,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cncc(C2CCNCC2)c1,BQGXDJSTGJHEJJ-UHFFFAOYSA-N
-rxn:4:200602:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,GXJKNPACQURZQB-UHFFFAOYSA-N
-rxn:4:200611:224612,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)cc3)cc2F)C1,TXWHRJHBDMSDHM-UHFFFAOYSA-N
-rxn:4:200648:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,CAOHICHRDLEDHL-UHFFFAOYSA-N
-rxn:4:200652:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QRMRRPZUJUKRPC-UHFFFAOYSA-N
-rxn:4:200653:222583,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)C(=O)C1,LEFUVXQDNNTXES-UHFFFAOYSA-N
-rxn:4:200667:225005,Cc1ccc(N(C(=O)c2ccc(-c3cccc(C(C)N4CCOCC4)c3)o2)C(=O)N2CCCCC2)cc1,GGDMKLPGNCYKLK-UHFFFAOYSA-N
-rxn:4:200667:225326,CCOC(=O)c1ccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1,RJFMXRCNQMNZJE-UHFFFAOYSA-N
-rxn:4:200671:224045,CN(Cc1ccccc1)Cc1ccccc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,YVWICMXZVYMXNJ-UHFFFAOYSA-N
-rxn:4:200720:224821,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,QPRVDPOEUCVEPZ-UHFFFAOYSA-N
-rxn:4:200726:224121,CSc1ccc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OCc1ccccc1,WKRKZALLEKPJBX-UHFFFAOYSA-N
-rxn:4:200745:222880,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1,VKPWACAMMTYMEJ-UHFFFAOYSA-N
-rxn:4:200749:226655,O=S(=O)(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-c2cc(Cl)cnc2N2CCCC2)cc1,VKEKUKXGSXNRKY-UHFFFAOYSA-N
-rxn:4:200761:224842,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,AXCOVEMPHITTSU-UHFFFAOYSA-N
-rxn:4:200770:222633,Cc1cnccc1OCC1CCN(C(=O)c2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)CC1,WYNMMAVNURQLGC-UHFFFAOYSA-N
-rxn:4:200773:225952,COc1ccc(OC)c(C2CC(c3ccc(-c4cnc(N5CCOCC5)nc4C)cc3)=NN2S(C)(=O)=O)c1,IGNYSEOQSGPQNL-UHFFFAOYSA-N
-rxn:4:200799:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1,RULLRHZDUJBPPR-UHFFFAOYSA-N
-rxn:4:200800:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccnc(C)c2)CC1,OYNWINWIAYMXRU-UHFFFAOYSA-N
-rxn:4:200800:223995,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)CC2)ccn1,KCYLVKQFIBYTPX-UHFFFAOYSA-N
-rxn:4:200824:224624,Cc1ccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MDBLYLOLGGBSPK-UHFFFAOYSA-N
-rxn:4:200832:222424,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1,AOMUYXTWARKTQK-UHFFFAOYSA-N
-rxn:4:200859:225869,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(N5CCOCC5)c(Cl)c4)ccc3OC)CC2)cc1,HGRUYYGFJZSIMD-UHFFFAOYSA-N
-rxn:4:200864:223035,C[C@@H]1CN(Cc2cccc(-c3cccnc3NC(=O)C(C)(C)C)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,VDQUTQFEHRILMX-VQTJNVASSA-N
-rxn:4:200884:227790,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(Cl)nc3C(F)(F)F)cc1)C2,WLMYIUOLVFBLOI-UHFFFAOYSA-N
-rxn:4:200890:225375,CCOc1ccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,NFJHHGOLEFHZEI-UHFFFAOYSA-N
-rxn:4:200942:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(cnn4COCC[Si](C)(C)C)c3)c(F)cc2C)CC1,QUKMLOJHACSPKF-UHFFFAOYSA-N
-rxn:4:201019:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)OC(C)(C)C)c(Oc4cnc5[nH]ccc5c4)c3)cc2F)CC1,TVZGFUHSQFMLGQ-UHFFFAOYSA-N
-rxn:4:201085:222632,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C2=O)c2ccccc21,XXXVOIOUVRENHO-UHFFFAOYSA-N
-rxn:4:201094:222633,CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)c(=O)n2C1c1ccco1,XJUZQUIKFOWLSP-UHFFFAOYSA-N
-rxn:4:201097:228882,COc1ncc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)c(C)n1,CCSAQFCSXAVINJ-UHFFFAOYSA-N
-rxn:4:201101:225172,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2)N2C(=O)C(C)SC2=N1,KTDRWMZDJDHEJB-UHFFFAOYSA-N
-rxn:4:201102:226844,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)N2C(=O)CCSC2=N1,YBZVNHYVMIXYAC-UHFFFAOYSA-N
-rxn:4:201108:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CCC(=O)N1CC(N2CC3CCCC3C2)C1,BEXOJQVCMOPCSJ-UHFFFAOYSA-N
-rxn:4:201113:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(OC)c(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1,DLOLGAFYEXBKAH-UHFFFAOYSA-N
-rxn:4:201124:222633,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc32)CC1,RHHZARMGQOJMHR-UHFFFAOYSA-N
-rxn:4:201124:226342,COC(=O)c1c(C)cc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,BREXCIRQCHUZNJ-UHFFFAOYSA-N
-rxn:4:201126:224586,CC1CCN(Cc2ccc(F)cc2-c2ccccc2CCC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)CC1,YIICKDGIPLUGIC-UHFFFAOYSA-N
-rxn:4:201141:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4C(=O)N(c5ccc(OC)c(OC)c5)S(=O)(=O)c5ccccc54)cc3)ccc2F)CC1,JPUJBKJNPQIXGN-UHFFFAOYSA-N
-rxn:4:201147:228943,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3c(F)ccc(Cl)c3F)ccc21,ATEFMMSGPNINDT-UHFFFAOYSA-N
-rxn:4:201154:223771,COc1ccc2c(c1)cc(-c1ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5s4)c4ccccc43)cc1)n2C(=O)OC(C)(C)C,NTJRAYGBFKMUQN-UHFFFAOYSA-N
-rxn:4:201166:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C3c4ccccc4Oc4ccccc43)cc2)cc1,GYTFZYUHHJHEKW-UHFFFAOYSA-N
-rxn:4:201171:222670,O=C(Nc1ccccc1Cl)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,SCBNKPBJHWIWCP-UHFFFAOYSA-N
-rxn:4:201171:223261,CNC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl,JDIWWKMVJQWLMD-UHFFFAOYSA-N
-rxn:4:201171:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,BVZJNRVHZYCADH-UHFFFAOYSA-N
-rxn:4:201171:223754,CC1CCN(CCCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,LXYJYDCFZKCPJC-UHFFFAOYSA-N
-rxn:4:201171:224220,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,FDXZRCNGHROHHS-UHFFFAOYSA-N
-rxn:4:201171:224232,O=C(N1CCN=C1SCc1ccc(-c2cc(Cl)c(OCc3ccccc3)cc2F)cc1)C12CC3CC(CC(C3)C1)C2,RDWFNTAFKJQOIK-UHFFFAOYSA-N
-rxn:4:201171:224520,O=C(N1CCN=C1SCc1ccc(-c2ccccc2COc2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,KQFUUDMGGKKVJT-UHFFFAOYSA-N
-rxn:4:201171:224674,N#Cc1cccc(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)c1,FBXHQDBTNNSPFW-UHFFFAOYSA-N
-rxn:4:201171:224694,COc1cccc(-c2ncc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)c1,JYXHHXHSOPJOOI-UHFFFAOYSA-N
-rxn:4:201171:224876,O=C(N1CCN=C1SCc1ccc(-c2ccccc2COc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2,AKAVRUXFUDIPRB-UHFFFAOYSA-N
-rxn:4:201171:225026,COc1ccccc1-c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,SNDDOPYQMBJWFR-UHFFFAOYSA-N
-rxn:4:201171:225276,CCCOc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1C(F)(F)F,IUCXPPHHGIMARG-UHFFFAOYSA-N
-rxn:4:201171:225470,CC1CCN(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,JXMRPCFYCHWNNC-UHFFFAOYSA-N
-rxn:4:201171:225694,O=C(N1CCN=C1SCc1ccc(-c2cccnc2-c2ccccc2F)cc1)C12CC3CC(CC(C3)C1)C2,XMHQGCPRJSYZAP-UHFFFAOYSA-N
-rxn:4:201171:225961,Cc1cn(-c2cc(F)c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)cn1,MPYUHNQDQBPPPA-UHFFFAOYSA-N
-rxn:4:201171:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,JKIWQYSBJSOKQK-UHFFFAOYSA-N
-rxn:4:201171:226069,O=C(N1CCN=C1SCc1ccc(-c2cccc(C3CCCCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,JEBGTYISHVERRO-UHFFFAOYSA-N
-rxn:4:201171:226087,CCCCCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,RAPMXHUTDQRSJQ-UHFFFAOYSA-N
-rxn:4:201171:226214,COc1ccc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2n1,JHXDIQZPICDQAK-UHFFFAOYSA-N
-rxn:4:201171:226220,Cc1cc(Cl)c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccc2n1,BEDSQFMULBOIEH-UHFFFAOYSA-N
-rxn:4:201171:226952,Cc1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc2cccnc12,RDLSYQIDGWSFJP-UHFFFAOYSA-N
-rxn:4:201171:227500,CCN(C)c1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,XDTDXKYRNSLWPO-UHFFFAOYSA-N
-rxn:4:201171:227945,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1N(C)C,WGXHRSDMNPDMQF-UHFFFAOYSA-N
-rxn:4:201171:228098,CCN(C)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cn1,UAWZRVVGGJVPMD-UHFFFAOYSA-N
-rxn:4:201171:229043,Cc1ccc(Cl)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,XDLSMYIIIBFYFC-UHFFFAOYSA-N
-rxn:4:201171:229230,N#Cc1csc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,UEKCEQOXLPEWDH-UHFFFAOYSA-N
-rxn:4:201184:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)c2)CC1,NIQDXXNBYBYZHE-UHFFFAOYSA-N
-rxn:4:201188:222724,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,FLMKDLSBUIPDLL-UHFFFAOYSA-N
-rxn:4:201191:222782,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)ccc2OC3c2ccc(C(C)C)cc2)cc1,GFLIJFDBQFDZFL-UHFFFAOYSA-N
-rxn:4:201192:222933,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cnc(NC(=O)OC(C)(C)C)nc4)ccc2OC3c2ccc(C(C)C)cc2)cc1,AFEYSKOIWUEKGU-UHFFFAOYSA-N
-rxn:4:201261:223945,COC(=O)c1c(-c2ccc(OCCCN3CCOCC3)c(F)c2)ccc(C#N)c1[N+](=O)[O-],WWMNCCLVCWZMNO-UHFFFAOYSA-N
-rxn:4:201267:222583,COC(=O)c1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc([N+](=O)[O-])c1C#N,XSYYSHNWFKMALM-UHFFFAOYSA-N
-rxn:4:201283:223594,CCOC(=O)c1ncc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],VKNKGQLZOPQOTC-UHFFFAOYSA-N
-rxn:4:201322:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OCC2CC2)c([N+](=O)[O-])n1,POXCNNHOIHJSLZ-UHFFFAOYSA-N
-rxn:4:201363:224009,COc1ccc(-c2ccc(F)cc2OC(C#N)=CN(C)C)cc1S(=O)(=O)N1CCOCC1,WOSPLNYYSTUEPT-UHFFFAOYSA-N
-rxn:4:201411:223559,CCN(CC)C(=O)c1ncccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,NPEMCHBMOWMARI-UHFFFAOYSA-N
-rxn:4:201521:222514,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN(C)C2CC2)cc1S(=O)(=O)NC1CCCCC1,CDYHUEHTPPVTFP-UHFFFAOYSA-N
-rxn:4:201645:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)CC1,NPVNBJDBPRMMAU-UHFFFAOYSA-N
-rxn:4:201645:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)CC1,WDQUCUUZRGGPLZ-UHFFFAOYSA-N
-rxn:4:201646:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)n(CC4CCOCC4)n3)c(F)c2)CC1,NNWMQGBJDSGKTD-KESTWPANSA-N
-rxn:4:201648:224196,CCC(=O)N1CCC(Oc2ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)C1,VNIVWIDFWLRJNO-UHFFFAOYSA-N
-rxn:4:201677:223895,CCN1CCN(CCOc2ccc(-c3cccc(N4CCCC(C(=O)CC#N)C4=O)c3F)cc2)CC1,GKRNTWXPECAKRL-UHFFFAOYSA-N
-rxn:4:201696:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCC(C#N)CC4)cc3F)cc2)CC1,UALZRJQLIFJHFT-UHFFFAOYSA-N
-rxn:4:201727:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCC(CC#N)CC2)cc1,VNUYEXZPTLYVRZ-UHFFFAOYSA-N
-rxn:4:201760:224351,O=C(Cc1ccc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)cc1)N1CC(N2C(=O)CSC2=O)C1,WXMFUROOAQTNFR-UHFFFAOYSA-N
-rxn:4:201765:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc1)N1CC(CN2C(=O)COC2=O)C1,PXIYWQVSKINTEV-UHFFFAOYSA-N
-rxn:4:201776:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)s2)cc1F,LHIIWEXZKVXLSL-UHFFFAOYSA-N
-rxn:4:201781:222693,CCOC(=O)C1CCN(c2cncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,XTRAQMJIDUHFJZ-UHFFFAOYSA-N
-rxn:4:201842:224863,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1ccccc1CN(C(C)C)C(C)C,GJDYTMUEOYOQRZ-UHFFFAOYSA-N
-rxn:4:201846:224008,CN1CCN(Cc2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cc2OC(F)(F)F)CC1,DKDVPKNYYZFPAU-UHFFFAOYSA-N
-rxn:4:201930:222540,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cccc(C(=O)NCCN4CCCCC4)c3)s2)CC1,OBWDQGJDGPJHPC-UHFFFAOYSA-N
-rxn:4:201932:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,PBLRUCFHUZCLIK-UHFFFAOYSA-N
-rxn:4:201946:223480,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OLLHCIDVSAMEQZ-UHFFFAOYSA-N
-rxn:4:201963:222916,CCN1CCN(Cc2cc(C(F)(F)F)ccc2-c2cccc(C(=O)NC3=NCCS3)c2)CC1,NBWHADHNAPNUGP-UHFFFAOYSA-N
-rxn:4:201966:223974,COc1cc(C)c(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)cc1S(=O)(=O)n1ccnc1C(C)C,AFMYRWZMZGPDGE-UHFFFAOYSA-N
-rxn:4:201979:222564,COc1ccc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,GDKNWHFQEKGHPO-UHFFFAOYSA-N
-rxn:4:202018:226006,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1cc(F)cc(OCC(F)(F)F)c1,WESFLOVHANZJLM-UHFFFAOYSA-N
-rxn:4:202061:224412,CC(C)(C)C(=O)N1CCC(Cc2cccc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)C1,XRAADFMSTZTTIT-UHFFFAOYSA-N
-rxn:4:202061:224735,CC(C)COc1cc(-c2cccc(CC3CCN(C(=O)C(C)(C)C)C3)n2)ccc1C(F)(F)F,CCPBXWZLRKWPOI-UHFFFAOYSA-N
-rxn:4:202064:224847,CC(C)CC(=O)N1CCN(c2ccccc2-c2cc(C(C)(C)C)ccc2C(C)(C)C)CC1,LHINKOIUNCSYJQ-UHFFFAOYSA-N
-rxn:4:202070:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)c(F)c2)CC1,TUWYKPOVNWTYRO-UHFFFAOYSA-N
-rxn:4:202070:223697,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)C(=O)C1,MDWBRKGXRKWHBP-UHFFFAOYSA-N
-rxn:4:202075:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1,HTUAXTKUDPDGKC-UHFFFAOYSA-N
-rxn:4:202081:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ccncc5)C4)cc3)cc2)CC1,RYPQBWPJWBUTOL-UHFFFAOYSA-N
-rxn:4:202087:225227,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc2)cc1[N+](=O)[O-],IXXREJYFNBQIGR-UHFFFAOYSA-N
-rxn:4:202105:223761,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)nc2)C1,FMFMNXVIGYXCPE-UHFFFAOYSA-N
-rxn:4:202116:224690,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(CN4CCC(=O)CC4)cc3F)cn2)C1,VYSNOTOMTWMBFN-UHFFFAOYSA-N
-rxn:4:202118:222826,CC(C)(C)OC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cnc1N1CCCCC1,WZLASHFJJUPRIR-UHFFFAOYSA-N
-rxn:4:202125:225159,CCN1CCN(C(=O)C2(c3ccc(-c4cccc(C(=O)N5CCOCC5)c4)cc3)CC2)CC1,DFFGCILUEOIDPO-UHFFFAOYSA-N
-rxn:4:202140:225310,CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)c2)CC1,YXTJQXXUGZHOPQ-UHFFFAOYSA-N
-rxn:4:202152:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)c1,OUIYASTZCXJDSR-UHFFFAOYSA-N
-rxn:4:202153:223895,CCN1CCN(CCOc2ccc(-c3cccc(C=C4SC(=S)N(CC(=O)N5CCCCC5)C4=O)c3)cc2)CC1,GCLRIRKUNRWEGK-UHFFFAOYSA-N
-rxn:4:202163:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1,WSEUFBPCJSNIPQ-UHFFFAOYSA-N
-rxn:4:202164:223602,CCN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(C)cc2OC)CC1,TUFSIEWSWDULEZ-UHFFFAOYSA-N
-rxn:4:202166:223174,CCS(=O)(=O)Nc1ccc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)cc1,IYNQYTUODAKAAK-UHFFFAOYSA-N
-rxn:4:202171:222633,CC(C)(C)C1CC(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)=NN1C(=O)c1ccco1,NOIALLOQVZIPFP-UHFFFAOYSA-N
-rxn:4:202185:222616,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(C5CCNCC5)cc(C(C)(C)C)c4)cc3)=NC2(C)C)cc1,XMTDELQFLKFXGO-UHFFFAOYSA-N
-rxn:4:202185:224669,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc3)=NC2(C)C)cc1,OHCNYJSMYRURBD-UHFFFAOYSA-N
-rxn:4:202193:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3N(C)C)cc2)cc1,BIVWCSDTZSAYJG-DNQXCXABSA-N
-rxn:4:202197:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCOC(C(=O)N5CCSCC5)C4)cc3)ccc2F)CC1,HHQHRLCUOHPIRV-UHFFFAOYSA-N
-rxn:4:202202:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,AWOXTQMOPUWMQA-UHFFFAOYSA-N
-rxn:4:202204:224671,CC(C)(C)c1nnc(-c2cccc(-c3cccc(N4CC(C(=O)N5CCC(CF)CC5)CC4=O)c3)c2)o1,VKDLYVCTYJPCQU-UHFFFAOYSA-N
-rxn:4:202206:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cccc(Cn4cc(S(=O)(=O)N5CCCCC5)ccc4=O)c3)cc2C1,DMNCRQJMXVSWDQ-UHFFFAOYSA-N
-rxn:4:202214:222583,COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1,DITUFAFFPLUAIE-UHFFFAOYSA-N
-rxn:4:202234:222632,Cc1c(-c2cccc(C(=O)NCCN3CCCC3)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,MQUGXJOHJPPJBV-UHFFFAOYSA-N
-rxn:4:202261:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4nc(S(=O)(=O)N5CCOCC5)c(-c5ccc(Cl)cc5)o4)cc3)cc2F)CC1,ULKTXSLPHGFLOH-UHFFFAOYSA-N
-rxn:4:202277:222827,O=S(=O)(NC1CC1)c1cc(F)c(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)cc1F,NBZSKQJQOZMPGO-UHFFFAOYSA-N
-rxn:4:202287:223690,COC(=O)c1cc(-c2ccccc2C(=O)N2CCCSCC2CN2CCOCC2)cn1S(=O)(=O)c1ccc(C)cc1,UXWSPTBCLNGCLQ-UHFFFAOYSA-N
-rxn:4:202290:227827,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ccc4C)cc3)CC2)C1,SBNVYRHAWFDXRI-UHFFFAOYSA-N
-rxn:4:202305:222633,CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)CC1,ZNYPZSGQARAEOR-UHFFFAOYSA-N
-rxn:4:202309:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C1CCOCC1,OIAPBCUIZGVSIA-UHFFFAOYSA-N
-rxn:4:202310:223289,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,CBKCQFYEQBKESQ-UHFFFAOYSA-N
-rxn:4:202310:224674,N#Cc1cccc(-c2ncc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)cc2Cl)c1,IRHYZHFARFMFOX-UHFFFAOYSA-N
-rxn:4:202310:228890,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cnc1F,IVPSJVGMEACHQR-UHFFFAOYSA-N
-rxn:4:202320:222915,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(C(=O)NC4=NCCS4)cc3)c2)CC1,CANWLEPBDKUVLH-UHFFFAOYSA-N
-rxn:4:202328:227506,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(/C=C/[N+](=O)[O-])c3)CC2)CC1,QBUVRFSHOZASRY-GIJQJNRQSA-N
-rxn:4:202333:225339,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(F)ccc1COCC(F)(F)F,CEZZQCDAHPSWDR-UHFFFAOYSA-N
-rxn:4:202350:222722,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)c2)CC3)ccc1F,ZXDLKWCWZQCUAS-UHFFFAOYSA-N
-rxn:4:202356:223279,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCCN2)nc1,AMJNUHNPNFBFGH-UHFFFAOYSA-N
-rxn:4:202378:223829,CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C,AJPYJMHPCMWYOH-UHFFFAOYSA-N
-rxn:4:202471:223889,COc1c(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)ccc2c1cnn2C(=O)OC(C)(C)C,RIQMQXSKCGGXOL-UHFFFAOYSA-N
-rxn:4:202518:224158,CC(C)[C@H]1c2nc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)sc2CN1C(=O)OC(C)(C)C,URBLYOCNNPJQRU-NRFANRHFSA-N
-rxn:4:202554:225385,COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)ccc21,QFNDPZWFVUTJKU-UHFFFAOYSA-N
-rxn:4:202563:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cn(C(=O)OC(C)(C)C)c3ncc(-c4ccccc4)cc23)cc1,ALUMENONJQERRA-UHFFFAOYSA-N
-rxn:4:202593:224488,CC(C)N(C(=O)c1ccc(-c2ccc3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3c2)cc1)C(C)C,NQUSWUOIUKLITC-UHFFFAOYSA-N
-rxn:4:202648:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1,KGGPHCHYORVKOT-UHFFFAOYSA-N
-rxn:4:202661:225260,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)ccc21,PXMLJNNUPNDEPW-UHFFFAOYSA-N
-rxn:4:202676:223635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,ULKYJRBABUDUDK-UHFFFAOYSA-N
-rxn:4:202678:223776,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc21,AZOVGADJGMOMOL-UHFFFAOYSA-N
-rxn:4:202682:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CC5CCC4CN5C(=O)OC(C)(C)C)cc3)cc2)CC1,RBBPUXAGMGAERS-UHFFFAOYSA-N
-rxn:4:202690:222684,CC1Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,KXCXEVCEDZBMGP-UHFFFAOYSA-N
-rxn:4:202694:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)C(=C2SC(=S)N(CCc4ccccc4)C2=O)C(=O)N3CC)CC1,NPDGMEFHMDTOCA-UHFFFAOYSA-N
-rxn:4:202695:223034,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cncc(C(=O)NC(C)(C)C)c3)ccc21,SREBAWMRFUPFMK-UHFFFAOYSA-N
-rxn:4:202707:223898,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N(C(=O)OC(C)(C)C)C(C)C)cc4)cc3F)C3CS(=O)(=O)CC32)c1,BKBDNRRPJIWIMI-UHFFFAOYSA-N
-rxn:4:202707:225182,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3F)C3CS(=O)(=O)CC32)c1,SZQZUSOEVAKQEO-UHFFFAOYSA-N
-rxn:4:202707:226619,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(N5CCCC5)nc4C)cc3F)C3CS(=O)(=O)CC32)c1,DYPMHVTYLJKFKA-UHFFFAOYSA-N
-rxn:4:202708:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,MBLXOSHHVHGPHJ-UHFFFAOYSA-N
-rxn:4:202708:228203,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(C(C)C)nc3Cl)ccc21,MNCGZSMNRGSVTO-UHFFFAOYSA-N
-rxn:4:202711:223072,CCCNS(=O)(=O)c1ccc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)cc1,CTADWZALGHNWMJ-FDDCHVKYSA-N
-rxn:4:202712:228004,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccc(C5CC5)c(Cl)c4)ccc3C2=O)C1,DIZLSIPQCDCODH-NRFANRHFSA-N
-rxn:4:202714:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc1,PFJRWQNVRAGLRH-UHFFFAOYSA-N
-rxn:4:202723:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)c1,JPXPPVIDPPAVSQ-UHFFFAOYSA-N
-rxn:4:202726:223536,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc32)CC1,XDWQPHPDNPVQCL-UHFFFAOYSA-N
-rxn:4:202726:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CCN2C1CCN(C(=O)OC(C)(C)C)CC1,DDGJWGBBIXYTBY-UHFFFAOYSA-N
-rxn:4:202736:222424,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,ICLPBWZEGCRECZ-UHFFFAOYSA-N
-rxn:4:202736:223279,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,GDDDTNLGQODEBQ-UHFFFAOYSA-N
-rxn:4:202755:226844,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OCC2=O)CC1,RQLTZMVIUSONME-UHFFFAOYSA-N
-rxn:4:202798:222540,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,UXUAWXOAPYENIA-UHFFFAOYSA-N
-rxn:4:202807:222580,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cc1,BLXHVJZICCSWFI-UHFFFAOYSA-N
-rxn:4:202807:222845,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1,UYKNIDVOPSNPFY-UHFFFAOYSA-N
-rxn:4:202807:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,JPDUUFDWSXGPGA-UHFFFAOYSA-N
-rxn:4:202807:224459,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCC3)c(C(C)(C)C)c2)cc1,PYXOOMPVHULALF-UHFFFAOYSA-N
-rxn:4:202807:224582,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1,SSHVNHAAFFWYEC-UHFFFAOYSA-N
-rxn:4:202807:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,JRGORQDONRKHFF-UHFFFAOYSA-N
-rxn:4:202819:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)cc1C,IFCMEWMHEARPNR-UHFFFAOYSA-N
-rxn:4:203288:223559,COC(=O)C(C)(C)c1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,YUZSIXQTEDCZPB-UHFFFAOYSA-N
-rxn:4:203406:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(CN4CC(F)(F)C4)cc([N+](=O)[O-])c3)cc(F)c2F)CC1,UDUCZOROJUDHSA-UHFFFAOYSA-N
-rxn:4:203464:222633,COC(=O)c1nc(-c2ccc(C(=O)NCCN3CCCC3)cc2)sc1N1CCOCC1,BOVCJIKCOQARCG-UHFFFAOYSA-N
-rxn:4:203564:223712,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,ZKXJGONTXVXSHA-UHFFFAOYSA-N
-rxn:4:203645:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC)c(C(=O)N4CCOCC4)c3)c2)CC1,SGNFNGCHLUHELY-UHFFFAOYSA-N
-rxn:4:203692:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,QBABFKFVEUOPMH-UHFFFAOYSA-N
-rxn:4:203703:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCC(C(F)(F)F)CC4)c(Cl)c3)cn2)CC1,NAZZLXTZOSPCPO-UHFFFAOYSA-N
-rxn:4:203758:225190,COc1cc(N2CCOCC2)ccc1-c1cc(F)c([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)c1,KSVWLSMEALZRBG-UHFFFAOYSA-N
-rxn:4:203786:225751,COc1cc(C(=O)N(C)C)ccc1-c1cccc(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,HRVYYTNOMCNFDP-UHFFFAOYSA-N
-rxn:4:203792:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N=C2SCC(=O)N2c2ccccc2Cl)cc1,GQZOYKDHEKUYMH-UHFFFAOYSA-N
-rxn:4:203819:224592,CCN1CCN(C(=O)c2cc(-c3cc(C4(C#N)CCCCC4)ccc3F)ccc2F)CC1,VENIWEQDSWYMCM-UHFFFAOYSA-N
-rxn:4:203833:224612,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,QBYOKPSPHYPNKC-UHFFFAOYSA-N
-rxn:4:203840:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(C(=O)CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,HUNBZEASHDFQNY-UHFFFAOYSA-N
-rxn:4:203880:222826,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)n2)C1,XCXQWYBEXWWWKJ-UHFFFAOYSA-N
-rxn:4:203905:224846,CCC1CCC(c2ccc(-c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cc2)CC1,HLUKSPIWUJPZFD-UHFFFAOYSA-N
-rxn:4:203937:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,YLAQPSLDGAXWNE-UHFFFAOYSA-N
-rxn:4:203937:225217,CC1CCCN(c2cc(F)c(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)cn2)C1,IXQBCCJYVUDLKP-UHFFFAOYSA-N
-rxn:4:203958:222817,CCN1CCN(C(=O)c2cc(C)cc(-c3cc(S(=O)(=O)NC4CC4)ccc3OC)c2)CC1,MRSWGFVIUNJZNZ-UHFFFAOYSA-N
-rxn:4:203965:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(C(=O)N2CCC(N(C)C)CC2)cc1Cl,MPEYQBWFOVKXRL-UHFFFAOYSA-N
-rxn:4:203975:222861,CCCCNC(=O)c1cc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(F)c2)ccc1F,RISLVQPUXBVNFN-UHFFFAOYSA-N
-rxn:4:203986:224612,O=C(c1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,ZRINUWSRLIXJPK-UHFFFAOYSA-N
-rxn:4:203987:225305,O=C(c1cc(-c2cnc(C3CCC3)c(C(F)(F)F)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,ZXSZPYPYDINLIG-UHFFFAOYSA-N
-rxn:4:204018:222604,COc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc1S(=O)(=O)NC1CCCC1,MYLBPJJEGOZJKN-UHFFFAOYSA-N
-rxn:4:204020:224421,CC(C)c1cc(C(C)C)c(-c2ccc(N3CCN(C(=O)C4CCC4)CC3)cc2)c(C(C)C)c1,AKQAPZPQURNPKC-UHFFFAOYSA-N
-rxn:4:204021:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cccc(N2CCN(C(=O)C3CCC3)CC2)c1,WMIWVQVRLJERRZ-UHFFFAOYSA-N
-rxn:4:204027:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccccc3CN3CCN(S(C)(=O)=O)C[C@@H]3C)cnc21,LHGPJVNLIOEWSW-QHCPKHFHSA-N
-rxn:4:204029:225367,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2cnc(N3CCC(F)(F)CC3)nc2)cc1,MRNITXKPBFJXMY-UHFFFAOYSA-N
-rxn:4:204056:225912,CCCOc1c(F)cc(F)c(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1F,VYRBVFOODFXENJ-UHFFFAOYSA-N
-rxn:4:204066:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)c2)CC1,HHJURIJWCNBDGE-UHFFFAOYSA-N
-rxn:4:204068:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1F,LRTYVMBYFLGJIG-UHFFFAOYSA-N
-rxn:4:204097:222675,COc1cc(-c2ccccc2C(C)N2CCN(C(C)C)CC2)ccc1NC(=O)OC(C)(C)C,VLGQGDVFFMWYJG-UHFFFAOYSA-N
-rxn:4:204097:224462,CC(C)N1CCN(C(C)c2ccccc2-c2ccc(C3CCN(C4CC4)CC3)cc2)CC1,KOZCQYFIZCDHOW-UHFFFAOYSA-N
-rxn:4:204116:226236,CCCCOc1ncc(C)cc1-c1cccc(C(=O)N2CCCN(C3CCOC3)CC2)c1,GCTCFHCXBKFWQO-UHFFFAOYSA-N
-rxn:4:204131:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c1,OHZVYVPJZZJMAH-UHFFFAOYSA-N
-rxn:4:204134:222409,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1S(N)(=O)=O,DAOOAYWVOZNIMC-UHFFFAOYSA-N
-rxn:4:204150:225325,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc([N+](=O)[O-])c1,SDBZULQRMCTDTO-UHFFFAOYSA-N
-rxn:4:204156:224756,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ccc4C(=O)N4CCOCC4)cc3)CC2)c1,PAVSNEKJSNWEQB-UHFFFAOYSA-N
-rxn:4:204158:225191,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(OC5CCCCC5)cc4F)cc3Cl)CC2)cc1,ANNWVVFIELYZRC-UHFFFAOYSA-N
-rxn:4:204158:225192,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(OC5CCCCC5)ncc4F)cc3Cl)CC2)cc1,XNMZFBUTKGUYGT-UHFFFAOYSA-N
-rxn:4:204159:225312,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCCN(C)CC2)nc1,XTFQDFYWUIHZTD-UHFFFAOYSA-N
-rxn:4:204161:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(C)cc5)C4=S)cc3)c(F)c2)CC1,PIFJTFRFXROFLC-UHFFFAOYSA-N
-rxn:4:204162:225571,COC(=O)c1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)c(C2CC2)c1,AFWGHMQFOCUYIK-UHFFFAOYSA-N
-rxn:4:204171:225992,CC(C)Cn1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)c(C(F)(F)F)n1,YXXTZRAKOQSUQC-UHFFFAOYSA-N
-rxn:4:204172:226519,COc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)cc(OC)c1OC,ZLCPPHWMKXLPAE-UHFFFAOYSA-N
-rxn:4:204183:224494,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(CCOC4CCCCO4)cc3)CC2)c(C)c1,HBKDAACZSIMIPY-UHFFFAOYSA-N
-rxn:4:204544:222675,COc1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)ccc1NC(=O)OC(C)(C)C,JYPMMIWPNWZSFR-UHFFFAOYSA-N
-rxn:4:204551:225832,COC(=O)C1C2CCC1CN(c1nc(-c3c(C)nn(C4CCCCO4)c3C)cs1)C2,RDTMFIODGYCSEB-UHFFFAOYSA-N
-rxn:4:204572:222758,Cc1cc(-c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,SGKNQLSIKILUMU-UHFFFAOYSA-N
-rxn:4:204602:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc2c(c1)CCCN2C(=O)OC(C)(C)C,FUTMLWUDSIMTCE-UHFFFAOYSA-N
-rxn:4:204604:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,FXFPOSLTJXFPJQ-UHFFFAOYSA-N
-rxn:4:204605:222635,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc21,BORIZEAXFYKWLO-DJNXLDHESA-N
-rxn:4:204607:222654,O=C1CCN(C(=O)Cn2ccc3ccc(-c4ccc(Cl)c(C(=O)NC5CCCCC5)c4)cc32)CC1,QKWBQDMEEAPORK-UHFFFAOYSA-N
-rxn:4:204645:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(OC(=O)N2CCN3CCC2CC3)cc1,OWZFCTZRGUQJLC-UHFFFAOYSA-N
-rxn:4:204648:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(N5CCc6sccc6C5)C4)o3)ccc2C)CC1,WIQHTLOTYCGXEF-UHFFFAOYSA-N
-rxn:4:204653:224212,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4cc(F)ccc4OCc4ccccc4F)cc32)SC1=S,KTUXXFPACMETCL-UHFFFAOYSA-N
-rxn:4:204683:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)c(F)ccc21,AWNZJYQGSWIHJH-UHFFFAOYSA-N
-rxn:4:204695:228273,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2c(C)cc(Cl)cc2OC)c1,PJHFTHHERAMOQI-UHFFFAOYSA-N
-rxn:4:204700:223162,CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c1,YWGVSGNKKWCYCF-UHFFFAOYSA-N
-rxn:4:204700:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)o1,KECJUUUGTVKDHK-UHFFFAOYSA-N
-rxn:4:204722:227959,Cc1cnc(C2CC2)c(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)c1,WZWCPENHABIWLR-UHFFFAOYSA-N
-rxn:4:204746:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CN1CC2C(=O)N(c3ccccc3)C(=O)C2C1,XBIVAVSRKOHADX-UHFFFAOYSA-N
-rxn:4:204752:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccccc3)cc2)s1,VZYXRYGUOQASMO-UHFFFAOYSA-N
-rxn:4:204753:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc2)c1,XTSAKNNFIZIRNU-UHFFFAOYSA-N
-rxn:4:204764:228758,CSc1ncc(C)cc1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,GMNFHJFDOKVTBD-UHFFFAOYSA-N
-rxn:4:204768:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)cc2F)CC1,UDJPFGGNQBMNMY-UHFFFAOYSA-N
-rxn:4:204781:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1,RHRRVZAYRDTDEC-UHFFFAOYSA-N
-rxn:4:204796:223753,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc1OCCCN1CCN(C)CC1,CWBCJCDGFZMJML-UHFFFAOYSA-N
-rxn:4:204796:224378,O=C(C1=CN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,QNUQGIBZJPFAFD-UHFFFAOYSA-N
-rxn:4:204804:227092,Cc1nc(C2CCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,HCDLWQMKTWHVFK-UHFFFAOYSA-N
-rxn:4:204807:224609,Cc1ccc(N2C(=NC(=O)c3ccc(-c4cnccc4C(=O)N(C(C)C)C(C)C)cc3)SC3CS(=O)(=O)CC32)cc1,CMVAVMKIDWBFIC-UHFFFAOYSA-N
-rxn:4:204816:227368,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(Cl)c(OC4CC4)c3)ccc21,CQSAEYYJIHCUPZ-UHFFFAOYSA-N
-rxn:4:204826:224584,Cc1ccc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)N5CCC(C)CC5)c4)cc3F)c3ccccc3S2(=O)=O)cc1F,IDWBWQCLUWVVCQ-UHFFFAOYSA-N
-rxn:4:204837:224198,CCN1CCN(Cc2ccc(-c3ccc(C4C5C(=O)N(c6ccccc6)C(=O)C5ON4c4ccccc4)cc3)c(F)c2)CC1,VOZQWTXCVKKVMG-UHFFFAOYSA-N
-rxn:4:204859:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4C(=O)N(c5c(C)cccc5C)S(=O)(=O)c5ccccc54)c(F)c3)c2)CC1,PAWHMUSDTKZMFF-UHFFFAOYSA-N
-rxn:4:204859:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4C(=O)N(c5c(C)cccc5C)S(=O)(=O)c5ccccc54)c(F)c3)c(F)c2)CC1,ZVHQWTVZJKSLPL-UHFFFAOYSA-N
-rxn:4:204872:222442,Cc1ccc(C2C3C(=O)N(c4ccc(-c5ccc(S(=O)(=O)NC6CCCC6)c6ccccc56)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,BKRWWSBKASPJKW-UHFFFAOYSA-N
-rxn:4:204874:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)s1,KNXZWJQMXURQPB-UHFFFAOYSA-N
-rxn:4:204894:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)c1,CMKAAUXYJYJAGV-UHFFFAOYSA-N
-rxn:4:204915:222827,CCC1Oc2c(OC)cc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2C2CC(c3ccc(Cl)cc3)=NN12,BVOPYQIBJPRZKB-UHFFFAOYSA-N
-rxn:4:204955:223076,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)NC5CC5)c4)ccc2OC3C2CCCCC2)cc1,WQKIDDCWJVYRJT-UHFFFAOYSA-N
-rxn:4:205721:223712,COc1ccc(-c2cnc(OC3COCC3(F)F)nc2)cc1C12CC3CC(CC(C3)C1)C2,RSFUAGOIPUYCNW-UHFFFAOYSA-N
-rxn:4:205897:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc(C(=O)N4CCOCC4)cs3)c2)CC1,XFGFXMGPXZIFOF-UHFFFAOYSA-N
-rxn:4:206246:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(F)(F)C4)c(C#N)c3)c2)CC1,JMDGUJSRMLYRCL-UHFFFAOYSA-N
-rxn:4:206246:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCC(F)(F)C3)c(C#N)c2)CC1,REBGWAYTBMWTKU-UHFFFAOYSA-N
-rxn:4:206248:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCC(F)(F)C4)c3C#N)cc2)CC1,RTDWFDIVUDWQHB-UHFFFAOYSA-N
-rxn:4:206250:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C#N)ccc3N3CCC(F)(F)C3)c2)CC1,SQAYPOLSBCLRKH-UHFFFAOYSA-N
-rxn:4:206444:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1Cl)N1CCOCC1,GVLKZNFRXYJNKF-UHFFFAOYSA-N
-rxn:4:206453:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(N4CCC(F)(F)C4)ccc3[N+](=O)[O-])c2)CC1,APZHRPTXZHPIKA-UHFFFAOYSA-N
-rxn:4:206463:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCC(F)(F)C3)c2)CC1,JKZLWLOHQITBRV-UHFFFAOYSA-N
-rxn:4:206474:223562,CC(C)c1nc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1C(C)C,UIOMIPSEYMCEQK-UHFFFAOYSA-N
-rxn:4:206509:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc(N3CCOCC3)c2[N+](=O)[O-])cc1F,LMNYOYPMIOJAGR-UHFFFAOYSA-N
-rxn:4:206525:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)nc2)cc1S(=O)(=O)NC1CCCC1,YYQRPSPWQXQBDO-UHFFFAOYSA-N
-rxn:4:206544:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)c2)CC1,LPLAEAGCRDEZCI-UHFFFAOYSA-N
-rxn:4:206631:223522,Cc1cc(C)n(S(=O)(=O)c2ccccc2-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)n1,ZHJSWNJGJCIDCO-UHFFFAOYSA-N
-rxn:4:206637:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(F)(F)CC4)ccc3C#N)cc2)CC1,OJPMQSWQZJPTKK-UHFFFAOYSA-N
-rxn:4:206642:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C#N)c3N3CCC(F)(F)CC3)c2)CC1,AWLIUZVSBTUMCZ-UHFFFAOYSA-N
-rxn:4:206643:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C#N)ccc3N3CCCC(F)(F)C3)cc2)CC1,DZZAGISHXCVHRM-UHFFFAOYSA-N
-rxn:4:206644:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C#N)ccc3N3CCC(F)(F)CC3)cc2)CC1,LDDRRHVVNHOHDQ-UHFFFAOYSA-N
-rxn:4:206737:223755,CC1CCN(CCCOc2ccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)cc2F)CC1,JEJQKBQJIWAVLA-UHFFFAOYSA-N
-rxn:4:206737:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,XDMXTSOXGXIUSF-UHFFFAOYSA-N
-rxn:4:206737:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)cc2)CC1,QLPGHTWZNIMNMT-UHFFFAOYSA-N
-rxn:4:206739:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnccc1N1CCCC(C(F)(F)F)C1,LICAGZDRSKCCQP-UHFFFAOYSA-N
-rxn:4:206761:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)c2)CC1,LRQAKTWIOBQGJV-UHFFFAOYSA-N
-rxn:4:206771:222783,CC(C)(C)OC(=O)Nc1cc(-c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)ccc1Cl,QHPCDRLQMKFRCM-UHFFFAOYSA-N
-rxn:4:206860:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(F)cc3-c3ccnn3C(C)(C)C)c2)CC1,QQOVRLZMSYKYLZ-UHFFFAOYSA-N
-rxn:4:206870:224170,CN1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc2F)CC1,QYEXWFFDEGITDA-UHFFFAOYSA-N
-rxn:4:206871:224404,CN1CCN(C(=O)c2c(Cl)ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2F)CC1,CHDDTDDDMZPNGQ-UHFFFAOYSA-N
-rxn:4:206911:223835,CCC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cn2)CC1,UAGIRLWRCPDGMD-UHFFFAOYSA-N
-rxn:4:206911:223841,CCC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,HEABDXOBILQCCP-UHFFFAOYSA-N
-rxn:4:206940:224248,CC1=NN(C(C)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cc2)C(=O)CC1,POXJWPQBVZSPDE-UHFFFAOYSA-N
-rxn:4:206946:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(C2CCCN(S(C)(=O)=O)C2)n1,GIXZDCDFYUOHTD-UHFFFAOYSA-N
-rxn:4:206958:224405,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,RCEJVEWPFKMTIN-UHFFFAOYSA-N
-rxn:4:206959:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,FNBPANSGPMUEDW-UHFFFAOYSA-N
-rxn:4:206963:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1N1CCN(S(C)(=O)=O)CC1,XTZGYRSXJPDNPX-UHFFFAOYSA-N
-rxn:4:206963:222723,CS(=O)(=O)N1CCN(c2ccccc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,OROAYQQIYFZJQR-UHFFFAOYSA-N
-rxn:4:206964:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cn2)CC1,BSBPCEJAINOBON-UHFFFAOYSA-N
-rxn:4:206976:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)cc2)CC1,DVFMNMHUXRPUHU-UHFFFAOYSA-N
-rxn:4:207056:224818,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)CC1,IKUZELBFJCPSFL-UHFFFAOYSA-N
-rxn:4:207058:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)NC1CCCC1,FAQVLPXLLQWYBU-UHFFFAOYSA-N
-rxn:4:207081:222584,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c1)C2,YVVMBIVVPULWPH-UHFFFAOYSA-N
-rxn:4:207091:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(C)c1,ULOONLUJOTUJOS-UHFFFAOYSA-N
-rxn:4:207447:223834,Cc1cc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,IJNONVSHYDYKLF-UHFFFAOYSA-N
-rxn:4:207447:223970,Cc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCC(C)CC1,FLSALLBPSJAEBE-UHFFFAOYSA-N
-rxn:4:207717:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4[nH]c(C(=O)N5CCCCC5)cc4c3)cc21,PIKWTDIGBOWRPP-UHFFFAOYSA-N
-rxn:4:207725:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1,OSEKKEIQKHTSRY-UHFFFAOYSA-N
-rxn:4:207846:222424,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,GTQMRJWMRZHTPR-UHFFFAOYSA-N
-rxn:4:207854:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)c1,ZSVZHBHUXLIUNL-UHFFFAOYSA-N
-rxn:4:207858:222424,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)ccc21,NLOLBMJYMIOYHL-UHFFFAOYSA-N
-rxn:4:207965:224819,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc2OC32CCC(C)CC2)cc1,WGWCBTAKKFTEQY-UHFFFAOYSA-N
-rxn:4:207965:227500,CCN(C)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)cc1Cl,UTYIMUQTQPHYGH-UHFFFAOYSA-N
-rxn:4:208186:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncnc1C(F)(F)F,IYFRRKBJUVCISD-UHFFFAOYSA-N
-rxn:4:210065:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc3[nH]nc(C(F)(F)F)c23)CC1,SDRKHATUSAZUBL-UHFFFAOYSA-N
-rxn:4:211073:222633,N#CC1=C2CCCCN2c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2S1(=O)=O,JQZGFJSAXSXFGU-UHFFFAOYSA-N
-rxn:4:211101:222624,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)ccc2OC32CCC(C)CC2)cc1,AFHLVQQCTWVICT-UHFFFAOYSA-N
-rxn:4:212523:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)c2)CC1,ANUHBZOSWVRADK-UHFFFAOYSA-N
-rxn:4:212541:223939,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)n2)C1,YZAYGOJJKHYVRB-UHFFFAOYSA-N
-rxn:4:212555:222747,O=C(NCC1CCCO1)c1ccc(-c2cnc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)cc1,JBXANVFGWMTHGA-UHFFFAOYSA-N
-rxn:4:212559:224404,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1,NNJHCRLTCLYXNW-UHFFFAOYSA-N
-rxn:4:212567:223094,CC(=O)Nc1cc(-c2cnc(OC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nc2)ccc1[N+](=O)[O-],QOGSCOGGTJAEBU-UHFFFAOYSA-N
-rxn:4:212576:222682,COc1cccc(-c2cnn(CC3CN(C(=O)C(C)Oc4ccccc4)C3)c2)c1NC(=O)OC(C)(C)C,KUCNIFCLCPTGEP-UHFFFAOYSA-N
-rxn:4:212583:225346,COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)cc1S(=O)(=O)N(C)C,CXOAKXAZQPYIMV-UHFFFAOYSA-N
-rxn:4:212584:223074,CC(C)N(Cc1nn(C)cc1-c1cccc(NS(=O)(=O)C2CC2)c1)C(=O)OC(C)(C)C,OVQRPUHKSCLZHP-UHFFFAOYSA-N
-rxn:4:212595:222633,N#CCCN1CCN(C(=S)c2ccc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)o2)CC1,VYUTUPVMYOWNBS-UHFFFAOYSA-N
-rxn:4:212599:223812,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,PASVTWDSAUFIRC-UHFFFAOYSA-N
-rxn:4:212627:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(COc5cc(C#N)ccn5)C4)cc3)cc2F)C1,ZYIUWOSXBQMKNC-UHFFFAOYSA-N
-rxn:4:212630:223178,CONC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1,XJTGXJRUEFWIGT-UHFFFAOYSA-N
-rxn:4:212636:224756,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cc(F)ccc3C(=O)N3CCOCC3)cn2)CC1,RVTGDRDSIPAZEG-UHFFFAOYSA-N
-rxn:4:212639:225898,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,LSKUUYCGKLUESG-UHFFFAOYSA-N
-rxn:4:212641:228934,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cnc(OC)cc4Cl)o3)CC2)C1=O,JBLQPEFONIAPQD-UHFFFAOYSA-N
-rxn:4:212649:222903,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NCCOC)cc3Cl)cn2)C1,ILUIQRULRZPKSD-UHFFFAOYSA-N
-rxn:4:212650:222546,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,ULRKXZXWZYREOT-UHFFFAOYSA-N
-rxn:4:212667:224633,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4OC)cn3)C2)cc1,QAVJVEHBJUNCTK-UHFFFAOYSA-N
-rxn:4:212691:227744,CN(C(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,BIIJGBZPQPPRFB-UHFFFAOYSA-N
-rxn:4:212693:223285,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccccc2NS(C)(=O)=O)c1,ZHAUJBRRPSZPIN-UHFFFAOYSA-N
-rxn:4:212696:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N5CCC(COc6ccc(C7CC7)nn6)CC5)cc4)c3)cccc12,QZEUOGXOCAEDEB-UHFFFAOYSA-N
-rxn:4:212708:222633,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,AAVPYBCWNUGAHS-UHFFFAOYSA-N
-rxn:4:212723:222630,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCC6)nc(C6CCNCC6)c5)cc4)CC3)n2)cc1,UNBOHZUFLUEHPS-UHFFFAOYSA-N
-rxn:4:212725:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)cc2)cc1Cl,QRULOMVOSYWPTI-UHFFFAOYSA-N
-rxn:4:212739:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,XDJKDCHASUXYLB-UHFFFAOYSA-N
-rxn:4:212742:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1,NHJNPDXFXGPBCP-UHFFFAOYSA-N
-rxn:4:212746:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WHKXEJGVDXQHQA-UHFFFAOYSA-N
-rxn:4:212754:222684,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,WBNLDVHSYCOXKQ-UHFFFAOYSA-N
-rxn:4:212756:222540,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc21,WNFZKOODLYJBHR-UHFFFAOYSA-N
-rxn:4:212761:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)s3)cc2)CC1,WTCFFQOEEQSERX-UHFFFAOYSA-N
-rxn:4:212771:225982,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCOCC4)cc3F)cc2s1,MKGQRZVOQDAJLE-UHFFFAOYSA-N
-rxn:4:212781:222638,COC(=O)Cn1c(=NC(=O)c2cccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)c2)sc2cc(S(N)(=O)=O)ccc21,CKRMEQLFXDSPPD-UHFFFAOYSA-N
-rxn:4:212782:223753,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,DSXBUENCZMXFAP-UHFFFAOYSA-N
-rxn:4:212785:224319,COCCn1c(=NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)cc2)sc2cc(S(N)(=O)=O)ccc21,WVDYWJRQQAJERF-UHFFFAOYSA-N
-rxn:4:212827:226511,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4cc(Cl)cnc4OCC4CC4)ccc3[nH]2)CC1,GDEKEXOZTZVKLY-UHFFFAOYSA-N
-rxn:4:212829:222583,CN(C(=O)c1cc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,KEQQCSZGAHUPIX-UHFFFAOYSA-N
-rxn:4:212839:223061,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)ncc4F)ccn23)CC1,LGIDMGVKBSIHHA-UHFFFAOYSA-N
-rxn:4:212839:228362,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)nc4C4CC4)ccn23)CC1,JULAZELSFBIKPP-UHFFFAOYSA-N
-rxn:4:212936:225281,CC(=O)OCCN1CCN(c2ccc(-c3cc(Cl)nc(C(=O)OC(C)(C)C)c3)cn2)CC1,JUQXRNCMXYMVOG-UHFFFAOYSA-N
-rxn:4:212944:226844,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LQCCYVOFTUXEQJ-UHFFFAOYSA-N
-rxn:4:212967:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCN(C(=O)C5CC5)CC4)nc3)c2)CC1,DIXUZXWIRPEWRH-UHFFFAOYSA-N
-rxn:4:212973:222566,O=C(NCc1ccccc1F)c1cccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c1,SYQFUBRCQAMQLU-UHFFFAOYSA-N
-rxn:4:212973:227482,CCCOc1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c(Cl)cn1,SLHNPRVZESPKMU-UHFFFAOYSA-N
-rxn:4:212984:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1,GJTIQDGFKBFELG-UHFFFAOYSA-N
-rxn:4:212989:224471,CCOC(=O)c1cccc2c(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cccc12,ZBBDHNRSHYILEE-UHFFFAOYSA-N
-rxn:4:212996:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3ccc(SCC(=O)N4CCOCC4)nn3)cc2)c1,RXBAHLZCPNTQAW-UHFFFAOYSA-N
-rxn:4:213006:222682,COc1ccc(-c2cccc(OC)c2NC(=O)OC(C)(C)C)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,VROGEQHQXFGBCX-UHFFFAOYSA-N
-rxn:4:213006:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,YZDASZMULVTPLI-UHFFFAOYSA-N
-rxn:4:213011:222546,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,JMEDQKZREWSYHT-UHFFFAOYSA-N
-rxn:4:213056:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)Cc4ccccc4Cl)C3)nc2)cc1,HXVWEQSZHNZBIP-UHFFFAOYSA-N
-rxn:4:213061:224686,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1,LQIOEMRAOJWSEN-UHFFFAOYSA-N
-rxn:4:213068:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1,OGCQYGSFSVGDJK-UHFFFAOYSA-N
-rxn:4:213071:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccn(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,GOZJNYYEVWBDEK-UHFFFAOYSA-N
-rxn:4:213100:226844,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)CC1,APPBHAZVLMXIPU-UHFFFAOYSA-N
-rxn:4:213111:223755,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)c1,FKOCWAAIMRSWLI-UHFFFAOYSA-N
-rxn:4:213112:222630,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)C2)nn1,BFXKDWZNJGHPQY-UHFFFAOYSA-N
-rxn:4:213134:222684,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,APIZVRBFCOPOJA-UHFFFAOYSA-N
-rxn:4:213135:222634,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,QSQKWGITABBELM-UHFFFAOYSA-N
-rxn:4:213136:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)ccn1)C(F)(F)F,BOSAGAFAQFYPKA-UHFFFAOYSA-N
-rxn:4:213161:224612,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)c1,HQERHOQRNUMNQM-UHFFFAOYSA-N
-rxn:4:213162:224829,COC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)cc1OC(F)(F)F,SYWUPAFGLKLSGK-UHFFFAOYSA-N
-rxn:4:213170:224566,COC(=O)C1(c2ccc(-c3cccc(S(=O)(=O)N4CCN(CCc5ccccn5)CC4)c3)cc2)CCCC1,IJQQEPFOWTWFJG-UHFFFAOYSA-N
-rxn:4:213179:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)c3)cc2)CC1,CDOZKOSINSLCMS-UHFFFAOYSA-N
-rxn:4:213192:224658,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1,VLJBEQGLJCTGKZ-UHFFFAOYSA-N
-rxn:4:213205:222847,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)C2)nc1,VTJHMZAVQZGOJH-UHFFFAOYSA-N
-rxn:4:213222:225215,CC1CCN(c2nccc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)c2Cl)CC1,MKGKCRUUJZHXKU-UHFFFAOYSA-N
-rxn:4:213223:224195,CCN1CCN(Cc2cc(-c3ccc(OC)cc3C(=O)N3CCC(Cn4ccnc4C)CC3)ccc2Cl)CC1,YSPYLCPHJMJWHQ-UHFFFAOYSA-N
-rxn:4:213237:223107,COc1ncc(-c2ccc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1NS(C)(=O)=O,WDAFYTFCTUKFKS-FQEVSTJZSA-N
-rxn:4:213247:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2)CC1,MZKCWRUCICIDIL-UHFFFAOYSA-N
-rxn:4:213264:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,INWKGUHNDOOXTI-UHFFFAOYSA-N
-rxn:4:213268:225313,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,WPLZEPOQMGBXTH-CYFREDJKSA-N
-rxn:4:213271:222754,COc1ccc(-c2cc(OC)ccc2C(=O)NC(C)(C)C)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,LJPLSGIVCJQWPP-UHFFFAOYSA-N
-rxn:4:213278:223697,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cc4)C3)n2)c1,LDMLVVGENUZLHY-UHFFFAOYSA-N
-rxn:4:213301:222540,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc21,VIJLQSQRBGNCJM-UHFFFAOYSA-N
-rxn:4:213320:223075,COC(=O)c1nc(-c2ccc(NS(=O)(=O)C3CC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,VECJRMGDBNMOLX-UHFFFAOYSA-N
-rxn:4:213328:222638,CCCn1c(=NC(=O)c2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)s2)sc2cc(S(N)(=O)=O)ccc21,KWOQZJLYVROJSE-UHFFFAOYSA-N
-rxn:4:213382:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)Oc3ccc4nc(N5CCN(CC)CC5)sc4c3)cc2)CC1,LVAXRGMOJSUZPM-UHFFFAOYSA-N
-rxn:4:213388:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccnc(C(=O)C(F)(F)F)c4)ccnc32)CC1,FJBUOLWCEAKDLU-UHFFFAOYSA-N
-rxn:4:213390:224292,CCC(=O)N1CCCC1c1nc2ccccc2n1Cc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)cc1,CDDMZWSCQJJZPW-UHFFFAOYSA-N
-rxn:4:213393:222948,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4s3)CC2)c1,REDSTJXOKFVDJA-UHFFFAOYSA-N
-rxn:4:213393:225367,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cnc(N6CCC(F)(F)CC6)nc5)cc4s3)CC2)c1,PUIWLRVUKFOJOK-UHFFFAOYSA-N
-rxn:4:213395:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(F)cc6)CC5)c4c3)c(F)ncc21,SMMGHYFEKOPDFQ-UHFFFAOYSA-N
-rxn:4:213395:225828,O=C(Cn1ccc2ccc(-c3cnc(N4CCCCCC4)nc3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,ZIUAGDDZOBKMAQ-UHFFFAOYSA-N
-rxn:4:213397:222697,O=C(c1cc(-c2ccc(-n3c(SCC(=O)N4CCc5ccccc54)nc4c(c3=O)SCC4)cc2)ccc1Cl)N1CCC(O)CC1,TWUCEXNWMOBJNW-UHFFFAOYSA-N
-rxn:4:213407:225828,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5cnc(N6CCCCCC6)nc5)cc4s3)CC2)cc1,UROVSHYZCYBNHP-UHFFFAOYSA-N
-rxn:4:213421:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,PKSFOGFWFRGKKT-UHFFFAOYSA-N
-rxn:4:213423:222632,CC(C)CCn1c(C2CC(=O)N(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)C2)nc2ccccc21,PGXWIBWKABZCTH-UHFFFAOYSA-N
-rxn:4:213424:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,ACCZWWHPAAFQNH-UHFFFAOYSA-N
-rxn:4:213449:224570,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3c2-c2ccccc2)=NN1C(C)=O,BBPWIFJTUNVRTM-UHFFFAOYSA-N
-rxn:4:213453:223239,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)N2C1=O,VGCJIIDTNZKCSN-UHFFFAOYSA-N
-rxn:4:213476:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,AMULKIOOOKSSJI-BHVWAETGSA-N
-rxn:4:213628:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,KROWEZLQGGSARS-UHFFFAOYSA-N
-rxn:4:213653:225294,CCN1CCN(c2ncc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)cn2)CC1,BTUJSONGNMOFIE-UHFFFAOYSA-N
-rxn:4:213661:224325,CCOC(=O)C1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,YGUJNKUXFADVSD-UHFFFAOYSA-N
-rxn:4:213672:224325,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,FQRFCDHSNYGAIZ-UHFFFAOYSA-N
-rxn:4:213672:225376,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(F)c(F)c(OCC(F)(F)F)c2)CC1,NEXFIRSPHNGWDM-UHFFFAOYSA-N
-rxn:4:213694:223753,Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cnccn4)CC3)o2)cc1OCCCN1CCN(C)CC1,QBYNRWRSKALBLM-UHFFFAOYSA-N
-rxn:4:213713:225380,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)[nH]1,QQVLQSKMZPXPOC-HNNXBMFYSA-N
-rxn:4:213737:223755,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)cc2F)CC1,XAMCWKYMGXATEA-UHFFFAOYSA-N
-rxn:4:213738:223753,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3nncs3)CC2)cc1OCCCN1CCN(C)CC1,PVCDFOSNJZRBLC-UHFFFAOYSA-N
-rxn:4:213761:223071,CCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)C4CC=CCC4)C3)c2)cc1,BGKYIKZDPQXPIG-UHFFFAOYSA-N
-rxn:4:213798:223812,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,GERXUDZQYVUQRW-UHFFFAOYSA-N
-rxn:4:213815:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(C(=O)N4CCC(Oc5ccnc(C)n5)C4)c3)c2)C1,BFIQWQUVKUGTGP-UHFFFAOYSA-N
-rxn:4:213835:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1F,ALYCOEJXAYNXTJ-UHFFFAOYSA-N
-rxn:4:213842:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(C)C)CC3)c2)cc1,SGYFAEROIUWPEW-UHFFFAOYSA-N
-rxn:4:213868:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1,YVMJDQQTJOUKIN-UHFFFAOYSA-N
-rxn:4:213869:222751,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)CC3)cc2)cc1NC(=O)OC(C)(C)C,MIHFDLNIYVQSFI-UHFFFAOYSA-N
-rxn:4:213870:222773,O=C(NC1CCOCC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccccc4F)CC3)nc2)cc1,BYYUMQLZQIYARN-UHFFFAOYSA-N
-rxn:4:213875:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,BTRSXNLKAMOUAB-UHFFFAOYSA-N
-rxn:4:213880:225975,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,GOAIVRAMDVGGJG-UHFFFAOYSA-N
-rxn:4:213880:225980,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(N3CCOCC3)ncc2F)CC1,JGYWLPPXRQAELY-UHFFFAOYSA-N
-rxn:4:213887:225984,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RFGQTFKWZAWYCE-UHFFFAOYSA-N
-rxn:4:213893:222584,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,CPLSUTSERCTNKO-UHFFFAOYSA-N
-rxn:4:213923:223844,O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1N1CCN(Cc2ccccc2)CC1,ISXOZQHDXDHGMX-UHFFFAOYSA-N
-rxn:4:213931:225571,COC(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)c(C2CC2)c1,HAGLFAZFYLKTIC-UHFFFAOYSA-N
-rxn:4:213938:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)c2)CC1,FMVMDCRVXBOCLA-UHFFFAOYSA-N
-rxn:4:213945:222899,CCCCNS(=O)(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,FSRWQSNWLVLRJO-UHFFFAOYSA-N
-rxn:4:213973:228099,CCN(C)c1cncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,KXUZTWAYOLTJIO-UHFFFAOYSA-N
-rxn:4:213973:228294,CCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,KHVGPRCFTDOHSU-UHFFFAOYSA-N
-rxn:4:214000:223074,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1F,USAQEELWJUEZJJ-UHFFFAOYSA-N
-rxn:4:214011:222996,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCCC1,KEUCKSSBELOIKX-UHFFFAOYSA-N
-rxn:4:214012:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,XYDNENWNIAVUCO-UHFFFAOYSA-N
-rxn:4:214014:225251,CCOC(=O)c1cnn2ccc(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)cc12,ITHAJKIGGVDGHL-UHFFFAOYSA-N
-rxn:4:214017:222583,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,ZXNLQWLYIBEOKS-UHFFFAOYSA-N
-rxn:4:214024:224509,N#Cc1ccc(Oc2ccc(-c3cnc(OC4CCN(C(=O)C5CCC(F)(F)CC5)CC4)nc3)cc2)cc1,UWVJTCMLBYQJNV-UHFFFAOYSA-N
-rxn:4:214029:223715,O=C(C1CCCN(c2ncc(-c3ccc(COc4cccc5ccccc45)cc3)cc2C(F)(F)F)C1)N1CCSCC1,MQGAALWHUWPNDX-UHFFFAOYSA-N
-rxn:4:214033:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,RZJNRAXMPQQBSF-DNQXCXABSA-N
-rxn:4:214034:222669,O=C(Nc1cccc(Cl)c1)c1cccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)c1,PRDPUXJWNAYHPH-UHFFFAOYSA-N
-rxn:4:214034:222877,CC(C)(C)NC(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)cc1Cl,WYBMAEMDIDSJDD-UHFFFAOYSA-N
-rxn:4:214051:222546,CC(C)c1sc(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,JVNONDNELLUOAG-UHFFFAOYSA-N
-rxn:4:214053:223755,CC1CCN(CCCOc2ccc(-c3cccc(-c4nn(-c5ccccc5)cc4C(=O)N4CCCCC4)c3)cc2F)CC1,NETRZZAQIQRQHM-UHFFFAOYSA-N
-rxn:4:214056:224198,CCN1CCN(Cc2ccc(-c3ccccc3-c3ccc(C=C4SC(N5CCN(C(C)=O)CC5)=NC4=O)o3)c(F)c2)CC1,JOJNYIZLITYTEE-UHFFFAOYSA-N
-rxn:4:214060:226489,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccc(OCCCF)c(Cl)c4)c3)CC2)C1,UCVYGLVGZKXBKN-UHFFFAOYSA-N
-rxn:4:214062:222632,CCN1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2N2CCOCC2)CC1,BSCQVBMTCKPZHC-UHFFFAOYSA-N
-rxn:4:214064:222418,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2N2CCOCC2)CC1,WQCQKSMFHDUOQR-UHFFFAOYSA-N
-rxn:4:214064:223990,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)cc2N2CCOCC2)CC1,UUWNLTJJWHEISK-UHFFFAOYSA-N
-rxn:4:214065:222584,Cc1nn(C(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,ZRNIYHJZLVVAMH-UHFFFAOYSA-N
-rxn:4:214074:223138,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,IGCJLLBWFXJVEW-UHFFFAOYSA-N
-rxn:4:214085:224644,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(OCc4cccnc4)c3)cc2)N=C1C1CCCCC1,BVFCEKXSTNVJSS-UHFFFAOYSA-N
-rxn:4:214181:222634,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,YKVGGGRIXBEZKF-UHFFFAOYSA-N
-rxn:4:214183:223771,COc1ccc2c(c1)cc(-c1ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c1)n2C(=O)OC(C)(C)C,IUEHWIHQAZCNLW-UHFFFAOYSA-N
-rxn:4:214234:222845,CC(c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1)N1CCNCC1,MCOAZORMLLQVFS-UHFFFAOYSA-N
-rxn:4:214298:224171,CC(C)c1sc(-c2ccc(OCCCN3CCCC3)c(F)c2)nc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1,JUEJFZWZUHLXFW-UHFFFAOYSA-N
-rxn:4:214322:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c2)CC1,RSGIITNYVBKYQB-UHFFFAOYSA-N
-rxn:4:214335:224703,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2cc(C3CCCC3)cc(C(F)(F)F)c2)CC1,BORXCIBICJHXOE-UHFFFAOYSA-N
-rxn:4:214336:224601,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3ccc4c(cnn4C4CCCCO4)c3)cc2)CC1,FKTITUQMULMTKC-UHFFFAOYSA-N
-rxn:4:214339:223992,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5ccc(C)c(S(=O)(=O)N6CCN(C)CC6)c5)ccc43)C2=O)cc1,YSCSVKKELQVMFC-UHFFFAOYSA-N
-rxn:4:214360:222896,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5ccc(CNC(=O)OC(C)(C)C)s5)ccc4n3C)cc2)C1,PRBYNKYKFRVVMK-UHFFFAOYSA-N
-rxn:4:214361:226056,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c5c(cc6c4CCC6)CCC5)ccc32)CC1,YDWWBIOUYYTYSQ-IJFUXUBASA-N
-rxn:4:214585:224009,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCOCC1,ISDJCPUJLUAEJS-UHFFFAOYSA-N
-rxn:4:214616:223845,CC(C)N1CC(Cn2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)C1,VSFSOGONZXMQOT-UHFFFAOYSA-N
-rxn:4:214631:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)C4)cn3)cc2)CC1,PMJVVEMLUSYXST-UHFFFAOYSA-N
-rxn:4:214631:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,YOAAHUXGELVRCO-UHFFFAOYSA-N
-rxn:4:214706:223658,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cn2)C1,VRSMLSCDBZMZSG-UHFFFAOYSA-N
-rxn:4:214709:222819,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)CC1,XFHMWTDYRJEONG-UHFFFAOYSA-N
-rxn:4:214715:222583,CCN1CCN(c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc(F)c2[N+](=O)[O-])CC1,DDMQHUZJQNULJB-UHFFFAOYSA-N
-rxn:4:214716:223687,CCN1CCN(c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)cc2[N+](=O)[O-])CC1,TWVDCHYUMJRTPH-UHFFFAOYSA-N
-rxn:4:214772:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,AIPRIGHKYMZSFR-UHFFFAOYSA-N
-rxn:4:214787:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccn4)C(=O)C3)cc2)cc1OCCCN1CCN(C)CC1,ZZNUHXCXEVXRGE-UHFFFAOYSA-N
-rxn:4:214818:226981,CCCCCCc1ccsc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,SCYKKGUVQKHHSJ-UHFFFAOYSA-N
-rxn:4:214819:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,XGNOVJRBTSIGQD-UHFFFAOYSA-N
-rxn:4:214819:224759,O=C(c1cc(F)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1)N1CCOCC1,AAAQGJLMWRTFTF-UHFFFAOYSA-N
-rxn:4:214821:225355,COC(=O)c1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(C(F)(F)F)c1,ZRVHXUHMROFYFE-UHFFFAOYSA-N
-rxn:4:214830:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,PFSAGHHEZFSGBQ-UHFFFAOYSA-N
-rxn:4:214835:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,LVYOWFWOAWHJJS-UHFFFAOYSA-N
-rxn:4:214836:224571,CC(C)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2)CC1,NIGCACHVFOMVPT-UHFFFAOYSA-N
-rxn:4:214838:223200,O=C(C1CN(c2ncc(-c3ccc(C4CCNC4)cc3)cc2F)CCO1)N1CCOCC1,JPWDUUZKWHIHGY-UHFFFAOYSA-N
-rxn:4:214838:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)s2)CC1,RXZZIGMTIMIJMR-UHFFFAOYSA-N
-rxn:4:214838:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)cn2)CC1,JIUFZDLIAQLBPB-UHFFFAOYSA-N
-rxn:4:214839:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,UATKGUMAAZJMCU-UHFFFAOYSA-N
-rxn:4:214839:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)ccn2)CC1,OPXJOTMSGGBMPP-UHFFFAOYSA-N
-rxn:4:214839:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,IUAMRIYWYLEJML-UHFFFAOYSA-N
-rxn:4:214851:223508,O=C(c1cncc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1)N1CCCN(C2CCC2)CC1,CLDXVVREUODECQ-UHFFFAOYSA-N
-rxn:4:214854:225677,Fc1nc(C2CCCCC2)ccc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,NEOINUKQEYXGOC-UHFFFAOYSA-N
-rxn:4:214866:226844,O=C(C1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1)N1CCOCC1,KPFGYGYZLQRFNU-UHFFFAOYSA-N
-rxn:4:214868:223028,CCCNC(=O)c1ccc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,UQNDFYOVBVPXQI-UHFFFAOYSA-N
-rxn:4:214870:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)CC1,YUTPNLBBMQPQJJ-UHFFFAOYSA-N
-rxn:4:214896:222400,Cc1cc(-c2ccc(C(=O)Nc3nnn[nH]3)cc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,CEEIGGUIRAKAJQ-UHFFFAOYSA-N
-rxn:4:215097:222467,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)n21,UJDCNKCUVLCJCJ-UHFFFAOYSA-N
-rxn:4:215134:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Sc4nc(N5CCOCC5)c5sccc5n4)cc3)c(F)cc2C)CC1,WUOSYXJQWBDKBA-UHFFFAOYSA-N
-rxn:4:215146:224412,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)c3)c2C1,ALDLGKVXDLBXPL-UHFFFAOYSA-N
-rxn:4:215170:225539,CCN(CC)Cc1c(F)cccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,HGFIXGRLVJGGJY-UHFFFAOYSA-N
-rxn:4:215228:226844,O=C(C1CCCCC1)N1CCN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)CC1,XVAKVKSIVWBDJV-UHFFFAOYSA-N
-rxn:4:215261:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CCc4nc5ccc(F)cn5c(=O)c4C3)cc2)CC1,LMAYWQYYTOGBKD-UHFFFAOYSA-N
-rxn:4:215287:223045,CC(C)NC(=O)c1ccc(F)c(-c2cccc3c4c([nH]c23)CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C4)c1,DBQOHJRWEROJSB-UHFFFAOYSA-N
-rxn:4:215297:226844,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CC(C)C)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,BSGGBWNMOUYQME-UHFFFAOYSA-N
-rxn:4:215298:222999,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cc(Cl)cc(C4CCCNC4)c3)cc12,RUBBHZNIVPSAIO-UHFFFAOYSA-N
-rxn:4:215299:224011,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,DTRKPPATAYRZRX-UHFFFAOYSA-N
-rxn:4:215473:223753,Cc1ccc(-c2cnc(C3(C(F)(F)F)N=N3)cc2C)cc1OCCCN1CCN(C)CC1,BIJVETKAYDWLFT-UHFFFAOYSA-N
-rxn:4:215708:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,QUOMBAHVUWKMQO-UHFFFAOYSA-N
-rxn:4:215772:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(N4CCC(C#N)CC4)c3)c2Cl)CC1,SWEYPJDFCOVSEA-UHFFFAOYSA-N
-rxn:4:215802:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)c2)CC1,NYCWQAXBOUZYHE-UHFFFAOYSA-N
-rxn:4:215848:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)CC1,LXJFBKCEOPULME-UHFFFAOYSA-N
-rxn:4:215880:223660,CCN1CCN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,JBWGYFQQDWGLGD-UHFFFAOYSA-N
-rxn:4:215900:222465,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)nc2)CC1,BSHJJHTWEQBSGH-UHFFFAOYSA-N
-rxn:4:215904:222724,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,DMOCZHZOSCTJIQ-UHFFFAOYSA-N
-rxn:4:215914:223985,COc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc1S(=O)(=O)N1CCCCC1,QRRLLOQNCAHYSG-UHFFFAOYSA-N
-rxn:4:215921:222651,CC1CCCCN1C(=O)c1c(-c2cc(C(=O)NC3CCCCC3)ccc2F)cnn1C,WQZUJLKRCCVZDW-UHFFFAOYSA-N
-rxn:4:215943:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,CYRXHMURHFWOAN-UHFFFAOYSA-N
-rxn:4:215966:222684,CC1CCN(c2cc(C3CC3)nc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,NUNYHIGWJKSLGM-UHFFFAOYSA-N
-rxn:4:215986:223872,CCN(C(=O)c1cccc(-c2nc(N3CCC(C)CC3)cc(C(C)(C)C)n2)c1)C1CCCCC1,NHYQKRNUHOEDTQ-UHFFFAOYSA-N
-rxn:4:216206:222466,COc1cc2c(cn1)c(-c1cc(C3CCCCC3)nc(C3CCNCC3)c1)nn2C1CCCCO1,GHOOTGNKVJROPN-UHFFFAOYSA-N
-rxn:4:216293:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1c1cncnc1C2,DWANNXSKDOOPBQ-UHFFFAOYSA-N
-rxn:4:216425:223492,Cc1cc(-c2cnn(C)c2[N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XESGMGGYCZWSCX-UHFFFAOYSA-N
-rxn:4:217118:223506,Cc1cc(N2CCCC2)nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,XFZNTDHKTXQAKW-UHFFFAOYSA-N
-rxn:4:217163:223480,Cc1cc(-c2cc(N3CCCCC3C)ncn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LCJRLVMLXLPKTL-UHFFFAOYSA-N
-rxn:4:217181:223502,Cc1cc(N2CCCCC2)nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,XNAUVZANFGNPHF-UHFFFAOYSA-N
-rxn:4:217206:222465,Cc1cc(N2CCC(C)CC2)nc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)n1,LZURVPGMBJYDLA-UHFFFAOYSA-N
-rxn:4:218589:222891,COc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cc(C2CCNCC2)n1,QNNAMSYEQZXDQT-UHFFFAOYSA-N
-rxn:4:218590:223084,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1,KAHOCGBUVPLCOZ-UHFFFAOYSA-N
-rxn:4:218682:225877,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)CC1,APTPCLDFRXHQCU-UHFFFAOYSA-N
-rxn:4:218685:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(=O)N3CCN(CCn4ccnc4-c4ccccc4)CC3)c2)cc1,DETZGRMFBXTGRY-UHFFFAOYSA-N
-rxn:4:218711:227605,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc(-n4cccn4)c3)CC2)CC1,LFVFWFREMDUOLQ-UHFFFAOYSA-N
-rxn:4:218768:226006,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(F)cc(OCC(F)(F)F)c1,UKYGXKRSLHJNNJ-UHFFFAOYSA-N
-rxn:4:218775:225016,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(-c5cscn5)cc(C5CC5)c4)ccc32)CC1)N1CCCCCC1,DXXSODIZLAPTCY-UHFFFAOYSA-N
-rxn:4:218777:223001,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cc(C2CCCNC2)ccc1F,GGGBUFSDJYILPK-UHFFFAOYSA-N
-rxn:4:218777:224326,Cc1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)ccc1S(=O)(=O)N1CCCCC1,SUKQCTLSUFNSPF-UHFFFAOYSA-N
-rxn:4:218824:222695,Cc1ccc(-c2cnc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,WBSJSMVWKQRGDF-UHFFFAOYSA-N
-rxn:4:218867:224426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2)no1,NZCQBAAOAQNHBR-UHFFFAOYSA-N
-rxn:4:218867:225043,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)c(F)c3)c2)no1,VHKUAUIFZWGOSC-UHFFFAOYSA-N
-rxn:4:218868:225407,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2)no1,UZYLKOCRCLZQGH-UHFFFAOYSA-N
-rxn:4:218868:226069,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2)no1,COTHIWOVDHNDAJ-UHFFFAOYSA-N
-rxn:4:218877:223664,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cn2)C1,QTIBTFYOVAJWPX-UHFFFAOYSA-N
-rxn:4:218888:223945,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,IZAYMCQQBZAHRO-UHFFFAOYSA-N
-rxn:4:218914:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(Cc5csc(C)n5)CC4)nc3)ccc2F)CC1,BGCFWJULRFLSKA-UHFFFAOYSA-N
-rxn:4:218917:223761,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,GGXJACQODNPGPW-UHFFFAOYSA-N
-rxn:4:218917:226476,CCCCOc1ncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1Cl,KRTNVDRZMHQRFQ-UHFFFAOYSA-N
-rxn:4:218945:227225,CC(C)CSc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,YGLZKQJJRQLZBU-UHFFFAOYSA-N
-rxn:4:218968:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)CC1,HNGWSYDAEGEWTO-UHFFFAOYSA-N
-rxn:4:218968:224395,O=C(c1cncc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c1)N1CCCC(Cc2nc(C3CC3)no2)C1,BGSSVCXYJJMARG-UHFFFAOYSA-N
-rxn:4:218974:222540,Cc1cc(OCC2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3C#N)CC2)ccn1,DITBAMHUJWZNRM-UHFFFAOYSA-N
-rxn:4:218993:223595,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)s1,UFJWKLLOMREBQL-UHFFFAOYSA-N
-rxn:4:218998:222634,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,XTKBXPILVJBGEJ-UHFFFAOYSA-N
-rxn:4:218998:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,VJYNMGMUBSLIOS-UHFFFAOYSA-N
-rxn:4:219000:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(CCn3ncccc3=O)CC2)cc1,FWMMLQDARPNNMI-UHFFFAOYSA-N
-rxn:4:219001:223080,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)NC(C)C)cc3)C2)C(=O)C1=O,LKEQGJHRAYEWRU-UHFFFAOYSA-N
-rxn:4:219013:222602,CC(C)Cc1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(S(=O)(=O)NC(C)(C)C)s1,WHTUDKHIJYOZNV-UHFFFAOYSA-N
-rxn:4:219026:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1,AUYOZPSMPAUDOT-UHFFFAOYSA-N
-rxn:4:219078:223257,CONC(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1,PYOLHLAPFQFIKA-UHFFFAOYSA-N
-rxn:4:219093:223694,CCC(=O)C1=C(c2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc2)N(C(=O)CC)n2cnnc2S1,IKIWAUDNJZMNBS-UHFFFAOYSA-N
-rxn:4:219129:222801,Cc1ccc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)cc1S(=O)(=O)NC(C)(C)C,YAHBITCOQLHBII-UHFFFAOYSA-N
-rxn:4:219130:223753,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)o4)CC3)nc2c1,MXMXYBPVRDWCKP-UHFFFAOYSA-N
-rxn:4:219145:222718,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)C3)c2cc1OC,BAFWMEHVLPGTIA-UHFFFAOYSA-N
-rxn:4:219175:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(-c5cc(C(F)(F)F)n6nc(C(=O)N(C)C7CCCCC7)cc6n5)cc4)c3)cccc12,OEVOZACWEILBCO-UHFFFAOYSA-N
-rxn:4:219294:223812,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cs1,OVKQNLBDIQDREA-UHFFFAOYSA-N
-rxn:4:219295:223753,Cc1ccc(-c2cnc(OC3CCN(C(=O)c4cccnc4)C3)nc2)cc1OCCCN1CCN(C)CC1,UXQZKRLZEFWAAH-UHFFFAOYSA-N
-rxn:4:219340:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)C1,PCBHRRUNNWXWRO-UHFFFAOYSA-N
-rxn:4:219381:222502,CSc1ncc(-c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,PSLINBGXEXJNMD-UHFFFAOYSA-N
-rxn:4:219402:224393,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,AILAQRRWGXVHRM-UHFFFAOYSA-N
-rxn:4:219406:222943,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)n2)CC1,QBYGXPZKMGKZSZ-UHFFFAOYSA-N
-rxn:4:219414:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1Cl,IHNGNWOOAJERFV-UHFFFAOYSA-N
-rxn:4:219431:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,POBJXPIMYNATOT-UHFFFAOYSA-N
-rxn:4:219436:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)c2)CC1,XDZXNWUXJRBVEU-UHFFFAOYSA-N
-rxn:4:219475:224325,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)ccc1=O,TWXNQPPKBALODS-UHFFFAOYSA-N
-rxn:4:219501:222937,CSc1ncc(-c2ccc(C(=O)NCC(F)(F)F)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,HGTZVCXQHIVLDY-UHFFFAOYSA-N
-rxn:4:219501:228140,CSc1ncc(-c2ccc(C(C)N(C)C)s2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ZVCNPVQMOKSLSD-UHFFFAOYSA-N
-rxn:4:219506:222956,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)c(C2CCCNC2)c1,PDCBDMKFKDRJGM-UHFFFAOYSA-N
-rxn:4:219506:225470,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,SWMQQTNQJLSZQI-UHFFFAOYSA-N
-rxn:4:219522:224620,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)c3)CC2)nc(C)n1,RTBJDRHBPQLVDW-UHFFFAOYSA-N
-rxn:4:219534:224777,O=C(c1cncc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,BDVCIHXFIVGDRS-UHFFFAOYSA-N
-rxn:4:219543:222424,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2)n1,KKVMCOXHQZWBKZ-UHFFFAOYSA-N
-rxn:4:219545:223753,Cc1ccc(-c2ccc(C(=O)N3CCCN(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)o2)cc1OCCCN1CCN(C)CC1,DWXAXESUDXBQMI-UHFFFAOYSA-N
-rxn:4:219559:226448,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cnc(Cl)c(C4CCCC4)c3)o2)CC1,MOWKBHSODCBYIF-UHFFFAOYSA-N
-rxn:4:219560:222944,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3F)CC2)cn1C,WSICWHNQPSETDW-UHFFFAOYSA-N
-rxn:4:219565:223658,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2)n1,YKMNVOFUEMVIMQ-UHFFFAOYSA-N
-rxn:4:219619:223816,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)cc12,YGLZDNPITIRGDT-UHFFFAOYSA-N
-rxn:4:219619:225889,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3ccnn3COCC[Si](C)(C)C)cc12,IYXHVFRIGNSWOD-UHFFFAOYSA-N
-rxn:4:219628:223598,Cn1c(=O)c2c(nc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)n2CCCc2ccccc2)n(C)c1=O,AOEHFHCFPMXUNZ-UHFFFAOYSA-N
-rxn:4:219634:223755,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(C(=O)c4cnc5ccccc5n4)C3)cc2F)CC1,BPOIMBGEGVOXFJ-UHFFFAOYSA-N
-rxn:4:219676:223755,CC1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCC(Oc5cnc6ccccc6n5)CC4)c3)cc2F)CC1,GNVHRLOVMKEWMU-UHFFFAOYSA-N
-rxn:4:219687:223525,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,DXBYMHZSFJPVQS-UHFFFAOYSA-N
-rxn:4:219688:224291,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)c(F)c4)cn3n2)CC1,KVKLGYBLBKALNO-UHFFFAOYSA-N
-rxn:4:219689:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)c(Cl)c2)CC1,MIXIJITWRQIAMY-UHFFFAOYSA-N
-rxn:4:219719:223840,COc1ccc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCC5)cccn4c3=O)c2)cc1S(=O)(=O)N1CCN(C)CC1,BRRXSUYERKICIP-UHFFFAOYSA-N
-rxn:4:219745:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)cc2)CC1,JJCNLYHELGFBMO-UHFFFAOYSA-N
-rxn:4:219758:222684,O=C(Cc1ccccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,DFDTXIXZSSATRU-UHFFFAOYSA-N
-rxn:4:219769:222583,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc2)OC3)CC1,VAQQCDGOCPULKX-UHFFFAOYSA-N
-rxn:4:219769:225877,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,AKNYJLXPOQBMOY-UHFFFAOYSA-N
-rxn:4:219868:223687,CCN1CCN(c2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cncc2[N+](=O)[O-])CC1,PKXRNNZOYIOWFU-UHFFFAOYSA-N
-rxn:4:219908:222693,CN1CCCN(c2oc(-c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)nc2C#N)CC1,ZWGNLHSFBQVDJQ-UHFFFAOYSA-N
-rxn:4:219917:224460,O=C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)cc(N3CCCCC3)c2)CCN1c1ncc(F)cn1,ABSSWPCVXUHHHY-UHFFFAOYSA-N
-rxn:4:219934:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,RVFNJZJSCCMJJM-UHFFFAOYSA-N
-rxn:4:219950:225270,CCCOc1ccc(-c2cnc(SC)nc2N2CCN(C3CCC3)CC2)cc1C(F)(F)F,QDJNMUARNXTCKC-UHFFFAOYSA-N
-rxn:4:219955:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)ccn2)CC1,RKLRMPPZMCXZMT-UHFFFAOYSA-N
-rxn:4:219981:225810,COc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2)c(C2OCCO2)c1,HBRRSOICDRDRTL-UHFFFAOYSA-N
-rxn:4:219991:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,JVGMDMFLCWNAJJ-UHFFFAOYSA-N
-rxn:4:220125:222705,O=C(c1cc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)ccc1Cl)N1C2CCC1CC(n1cncn1)C2,IXZMAUVZROGWND-UHFFFAOYSA-N
-rxn:4:220136:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2C1,CSKNNLLGRVXUFG-UHFFFAOYSA-N
-rxn:4:220150:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cc1,PBPYGCMQGWQNAD-UHFFFAOYSA-N
-rxn:4:220204:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1,SAYSJACGZNOOTQ-UHFFFAOYSA-N
-rxn:4:220205:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1,XCGHGMYWVDAQCS-UHFFFAOYSA-N
-rxn:4:220223:225182,CC1CCN(C(=O)c2nnn3c2COC(c2ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc2)C3)CC1,MMVHILBCEVDGIU-UHFFFAOYSA-N
-rxn:4:220272:223490,Cc1ccc(-c2nc(C#N)c(C#N)n2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PDFDTIAEUGKHCY-UHFFFAOYSA-N
-rxn:4:220429:224883,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1)N1CCCCC1,IHYMUDWZAFMHID-UHFFFAOYSA-N
-rxn:4:220430:222892,COc1cc(N2CCNCC2)ccc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,MUGDJYQSQMADGT-UHFFFAOYSA-N
-rxn:4:220431:223845,Cc1cccc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cn3)CC2)c1C,IWIWVKODUFDJMC-UHFFFAOYSA-N
-rxn:4:220519:223660,CCN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc23)CC1,DHNLLJCDCCDMNY-UHFFFAOYSA-N
-rxn:4:220809:223489,CN1CCN(c2nccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)n2)CC1,GNOWPVOSNJQHCE-UHFFFAOYSA-N
-rxn:4:221097:222651,Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cn2)C1,HTTACPCWVGKZSA-UHFFFAOYSA-N
-rxn:4:221121:222394,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N[C@H]6CC[C@H](O)CC6)cc5)ccc43)CC2)CC1,PWJOYAHJFRYHHE-WXUXXXNLSA-N
-rxn:4:221121:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,RJLYJHCFXWYHAY-UHFFFAOYSA-N
-rxn:4:221121:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,VKPUBGXUOZHHAO-UHFFFAOYSA-N
-rxn:4:221121:222942,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NC6CC6)c(F)c5)ccc43)CC2)CC1,COIDCRPMCDHAIG-UHFFFAOYSA-N
-rxn:4:221121:223089,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6[nH]c(C(F)(F)F)nc6c5)ccc43)CC2)CC1,KLENDVVDTYBYIX-UHFFFAOYSA-N
-rxn:4:221121:223150,CN(C)CCNc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccn1,UXLZLYBFZRQIEJ-UHFFFAOYSA-N
-rxn:4:221121:223223,CCNC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,LOMNWJIPRAVKRF-UHFFFAOYSA-N
-rxn:4:221121:223327,Cc1nc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2[nH]1,ZSLFEWGDEZUXJO-UHFFFAOYSA-N
-rxn:4:221121:223646,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC6CCN(C(=O)OC(C)(C)C)C6)cc5)ccc43)CC2)CC1,FBDKCIXGKIQCJJ-UHFFFAOYSA-N
-rxn:4:221121:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,QXSFGQHOLNMPRX-UHFFFAOYSA-N
-rxn:4:221121:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,CKTGDRSAEUGNNC-UHFFFAOYSA-N
-rxn:4:221121:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,IYNLKCDNMQPMAI-UHFFFAOYSA-N
-rxn:4:221121:224110,COc1ccc(COc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,YDMUMWVRRIOPSJ-UHFFFAOYSA-N
-rxn:4:221121:224359,CCN(CC)C(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,GNEZNJAYAPBTFX-UHFFFAOYSA-N
-rxn:4:221121:224778,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(OC6CCOCC6)cc5F)ccc43)CC2)CC1,MYDGMQSMYRRNCG-UHFFFAOYSA-N
-rxn:4:221121:224970,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S[Si](C)(C)C(C)(C)C)cc5)ccc43)CC2)CC1,MXWWVHAJOAPPNP-UHFFFAOYSA-N
-rxn:4:221121:224973,CN1CCN(Cc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)CC1,FVUGHIMMWCKWBD-UHFFFAOYSA-N
-rxn:4:221121:225575,COC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C1CC1,LCVPEEVPBVIADB-UHFFFAOYSA-N
-rxn:4:221121:225602,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6(C#N)CCC6)ccc5F)ccc43)CC2)CC1,KGMUEBKLEIYEMV-UHFFFAOYSA-N
-rxn:4:221121:225696,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6ccccc6Cl)c5)ccc43)CC2)CC1,XXIKXSCGSSEEKJ-UHFFFAOYSA-N
-rxn:4:221121:225852,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCCC6)nc5Cl)ccc43)CC2)CC1,KDRZYBHSPNCDAY-UHFFFAOYSA-N
-rxn:4:221121:226104,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COC(C)(C)C)c5)ccc43)CC2)CC1,MQNAHZVEBRYKIF-UHFFFAOYSA-N
-rxn:4:221121:226527,CCOC(=O)c1ccc(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,FKCGNAJWTQULSL-UHFFFAOYSA-N
-rxn:4:221121:226628,Cc1cnn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)c1,JDGYJRNUDXAIGS-UHFFFAOYSA-N
-rxn:4:221121:226733,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)N(C)C)cc5)ccc43)CC2)CC1,QJGYDLMKNXSXCE-UHFFFAOYSA-N
-rxn:4:221121:226785,Cc1cnn(-c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)c1,UCSCUICMCARBEF-UHFFFAOYSA-N
-rxn:4:221121:226927,Cc1c(C)c(C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)c1C,BXWCXOXURQOARJ-UHFFFAOYSA-N
-rxn:4:221121:226951,Cc1cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2cn1,GPKCFFDWJJDPEH-UHFFFAOYSA-N
-rxn:4:221121:227176,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6ccnc(Cl)c6c5)ccc43)CC2)CC1,SXSJEDOMFROSTO-UHFFFAOYSA-N
-rxn:4:221121:227218,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccccc5OCCCF)ccc43)CC2)CC1,OFOXMFDVRPPKEP-UHFFFAOYSA-N
-rxn:4:221121:227223,CCN(CC)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccn1,BVVGCCVZHKTMAV-UHFFFAOYSA-N
-rxn:4:221121:227235,CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C#N,XJYVDSDNMVTGBP-UHFFFAOYSA-N
-rxn:4:221121:227789,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)nc(C(F)(F)F)c5)ccc43)CC2)CC1,RIRDMDPMSQBCRT-UHFFFAOYSA-N
-rxn:4:221121:227876,Cc1oc2ccccc2c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,CIUCBBMXBQSXQT-UHFFFAOYSA-N
-rxn:4:221121:228495,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccn(CC(F)(F)F)n5)ccc43)CC2)CC1,VBIQXSDZAKULKK-UHFFFAOYSA-N
-rxn:4:221121:229164,COc1cncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)n1,HYJQCRCXBSQJII-UHFFFAOYSA-N
-rxn:4:221129:222583,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cc4)nnn3c3ccccc23)CC1,QTFUONXUYORJQT-UHFFFAOYSA-N
-rxn:4:221137:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(Cc5nnco5)CC4)nc3)c3ccccc23)CC1,ZWDPTLPULPXRGG-UHFFFAOYSA-N
-rxn:4:221152:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCC(C)CC1,BOPFJCSDUXJLIN-UHFFFAOYSA-N
-rxn:4:221152:223945,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HQHCNZCCFAYBKV-UHFFFAOYSA-N
-rxn:4:221173:223595,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,AYSNWDPSBNCYCX-UHFFFAOYSA-N
-rxn:4:221175:226125,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(COC)cc(C5CC5)c4)cn3)C2)C(=O)C1=O,CMXYULZEJMYOSU-UHFFFAOYSA-N
-rxn:4:221175:226126,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C5CC5)c(COC)c4)cn3)C2)C(=O)C1=O,QAJMQXXVKAZWIL-UHFFFAOYSA-N
-rxn:4:221175:228685,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(COC)c4)cn3)C2)C(=O)C1=O,BVELIORIBLIURW-UHFFFAOYSA-N
-rxn:4:221175:228910,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(Cl)c4OC)cn3)C2)C(=O)C1=O,OCBOLRYOKVGKGC-UHFFFAOYSA-N
-rxn:4:221175:228914,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(F)c4OC)cn3)C2)C(=O)C1=O,OPSOYBHQTOCFIU-UHFFFAOYSA-N
-rxn:4:221175:228922,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccnc4F)cn3)C2)C(=O)C1=O,LGZZIAMZJPELPG-UHFFFAOYSA-N
-rxn:4:221175:228927,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccnc4OC)cn3)C2)C(=O)C1=O,GKGHTCNAFLLXDI-UHFFFAOYSA-N
-rxn:4:221177:222814,CC(C)(C)OC(=O)Nc1nccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1F,SDFFNUHCTUPDJS-UHFFFAOYSA-N
-rxn:4:221180:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)cc1OCC,ILYBAAAIFMTIOH-UHFFFAOYSA-N
-rxn:4:221182:224554,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cccc(OCc5ccccc5)c4F)cn3)CC2)C1=O,XCDWELOUJOXUCC-UHFFFAOYSA-N
-rxn:4:221189:222583,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)nn1,BGKKFTNAECQDHS-UHFFFAOYSA-N
-rxn:4:221208:226264,CCCCOc1ccc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(F)c1,FEZDIAUIGAPTDX-UHFFFAOYSA-N
-rxn:4:221214:224760,CCN(CC)C(=O)Cn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2c1c(=O)n(C)c(=O)n2C,YUTSNEFQLAITGI-UHFFFAOYSA-N
-rxn:4:221230:225893,COCCOc1c(Cl)ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c1F,FBUVTAGSOKPGFY-UHFFFAOYSA-N
-rxn:4:221233:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)cn6n5)CC4)c3)c(F)c2)CC1,SQHFDYWRZRGQTR-UHFFFAOYSA-N
-rxn:4:221240:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5c6c(nn5C)CCC6)C4)nc3)c2)CC1,MXMCEBZOCAKAIQ-UHFFFAOYSA-N
-rxn:4:221267:225313,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2)n(C)c1=O,QCYVDYPTTDPRTP-UHFFFAOYSA-N
-rxn:4:221287:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CC(Cn3cc(Cl)cn3)C2)c(C#N)c1,IHBYLILQTKATCJ-UHFFFAOYSA-N
-rxn:4:221369:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,JIJLZRFINQUTIC-WBFAGQMUSA-N
-rxn:4:221369:223812,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)ccc1=O,RFALUIRCBNQUDV-UHFFFAOYSA-N
-rxn:4:221377:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(N5CCC(N(C)c6ccccn6)CC5)c(C#N)c4)c3C(=O)C1C2(C)C,KGKNILSNKHSANT-UHFFFAOYSA-N
-rxn:4:221395:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,LSIURUSTRBCWBD-UHFFFAOYSA-N
-rxn:4:221395:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,BZVALFYUPLQNMC-UHFFFAOYSA-N
-rxn:4:221422:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,QQLMZFBJUKUULE-UHFFFAOYSA-N
-rxn:4:221432:225048,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(N5CCN(C)CC5)cc4C)c3)CC2)n1,NKEUZCNBDCCBMW-UHFFFAOYSA-N
-rxn:4:221436:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,YANIAPHMSCNUSS-UHFFFAOYSA-N
-rxn:4:221437:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,FYMXVKTXSLZGLC-UHFFFAOYSA-N
-rxn:4:221438:224612,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4)o3)CC2)nn1,JRSJARIXWJATQS-UHFFFAOYSA-N
-rxn:4:221440:223295,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2)n1,JSXNHBFIGMGOBS-UHFFFAOYSA-N
-rxn:4:221447:223633,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(Cl)c1,ZLVZDAZTEBWPIW-UHFFFAOYSA-N
-rxn:4:221447:223755,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,IJUREEUBCMVVGS-UHFFFAOYSA-N
-rxn:4:221447:225305,Cc1cc(N2CCN(Cc3ccc(-c4cnc(C5CCC5)c(C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,SIOZNIIQKRSVHO-UHFFFAOYSA-N
-rxn:4:221447:225684,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCOCC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,CGQDJGDMLOVWDB-UHFFFAOYSA-N
-rxn:4:221447:225947,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,IZYDANNXPMBNJS-UHFFFAOYSA-N
-rxn:4:221447:226794,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCSCC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,LXMGYQHTULWUNW-UHFFFAOYSA-N
-rxn:4:221449:228420,CSc1c(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,ZDSNXSNRQDJSRQ-UHFFFAOYSA-N
-rxn:4:221449:228430,CSc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)c1,QCBLZSYGUKINNC-UHFFFAOYSA-N
-rxn:4:221449:228431,CSc1c(F)cc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,NMJFLFGRXHIPIH-UHFFFAOYSA-N
-rxn:4:221449:228432,CSc1c(Cl)ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,XGRFSADMRKCJMI-UHFFFAOYSA-N
-rxn:4:221449:228435,CSc1ccc(F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,DZHMMBODQLANSR-UHFFFAOYSA-N
-rxn:4:221449:228443,CSc1c(F)ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,PZTPPCVVBQHVCC-UHFFFAOYSA-N
-rxn:4:221456:228379,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4C#N)cc3)CC2)n1,ZVEGBFLBORQRAC-UHFFFAOYSA-N
-rxn:4:221456:228395,COc1cc(F)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,OERGYVCFXJSAIG-UHFFFAOYSA-N
-rxn:4:221456:228396,COc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,QLRYUHZXMVYIFY-UHFFFAOYSA-N
-rxn:4:221456:228407,COc1ccc(F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,JATDROBUYKHFJF-UHFFFAOYSA-N
-rxn:4:221456:228416,COc1cc(F)cc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,DXDSQKYWNXJBIN-UHFFFAOYSA-N
-rxn:4:221456:228419,CSc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1F,OWDKMWOZGXNGQM-UHFFFAOYSA-N
-rxn:4:221456:228420,CSc1c(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1F,IRXWDNCEAVXEBE-UHFFFAOYSA-N
-rxn:4:221456:228424,COc1cc(F)c(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,FTWXIESIXPCYHI-UHFFFAOYSA-N
-rxn:4:221456:228425,COc1c(Cl)cc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,OFKNKLBRAKKYMW-UHFFFAOYSA-N
-rxn:4:221456:228426,COc1cc(Cl)cc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YUZNFEDVFKLFIA-UHFFFAOYSA-N
-rxn:4:221456:228428,COc1cc(F)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,JQHNZHXWBPHHDO-UHFFFAOYSA-N
-rxn:4:221456:228429,CSc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1F,IBGCFPSAEQSUSH-UHFFFAOYSA-N
-rxn:4:221456:228430,CSc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,NVMJCQLENBNWDR-UHFFFAOYSA-N
-rxn:4:221456:228431,CSc1c(F)cc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,FNVRNJWDTBXSSQ-UHFFFAOYSA-N
-rxn:4:221456:228432,CSc1c(Cl)ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1F,MGGUVFQOTOBUDQ-UHFFFAOYSA-N
-rxn:4:221456:228433,COc1ccc(Cl)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,OQFBDOINBFRLAZ-UHFFFAOYSA-N
-rxn:4:221456:228435,CSc1ccc(F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CGANGONQKQQEOU-UHFFFAOYSA-N
-rxn:4:221456:228436,COc1ccc(F)c(Cl)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,IRJABHYIUXGMGM-UHFFFAOYSA-N
-rxn:4:221456:228440,COc1cc(Cl)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,JXKGXSHUCXPKBY-UHFFFAOYSA-N
-rxn:4:221456:228441,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1F,FVMKIZPIVXSEEU-UHFFFAOYSA-N
-rxn:4:221456:228442,COc1cc(Cl)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YIBXAVSKMUBMIT-UHFFFAOYSA-N
-rxn:4:221456:228443,CSc1c(F)ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1F,UNNCRLOGJZFMGD-UHFFFAOYSA-N
-rxn:4:221456:228449,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)cc1Cl,VFKKHIQAHBMYSW-UHFFFAOYSA-N
-rxn:4:221507:224369,CCN(CC)S(=O)(=O)c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)c(F)cc1C,CWANGLNFTAYDBQ-UHFFFAOYSA-N
-rxn:4:221559:224404,COCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cc2)n(C)c1=O,KAGGLQSKCNVJHO-UHFFFAOYSA-N
-rxn:4:221563:222777,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cc2)n(C)c1=O,FFXDUFGYUYRMEO-UHFFFAOYSA-N
-rxn:4:221572:225977,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,MKHTUPMGIPDQJA-UHFFFAOYSA-N
-rxn:4:221608:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,AXUFDHAHZDZNFU-UHFFFAOYSA-N
-rxn:4:221609:223753,Cc1ccc(-c2cnc(OC3CCN(c4ncc(Cl)cn4)CC3)nc2)cc1OCCCN1CCN(C)CC1,KEZNQWAPYIBCEW-UHFFFAOYSA-N
-rxn:4:221616:223593,Cc1cc(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)C2)nc(C)n1,FBXNWXKDBNWAII-UHFFFAOYSA-N
-rxn:4:221726:225098,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCCN4CCCC4)nc3)cn2)CC1,KHPZRRIMMAVIAN-UHFFFAOYSA-N
-rxn:4:221726:226571,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnn(CC4CCOCC4)c3)cn2)CC1,LGNCXLNKFHJRTA-UHFFFAOYSA-N
-rxn:4:221727:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)c2)CC1,BUYSISMCRZHLKF-UHFFFAOYSA-N
-rxn:4:221779:225228,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCC6(CC4)OCCO6)c4ccccc45)cc3)c(F)c2)CC1,JYEGLMPZEPOJTH-UHFFFAOYSA-N
-rxn:4:221836:222522,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,CHNYVGABRNBFJM-UHFFFAOYSA-N
-rxn:4:221836:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,UNUUEZRTXKTRLL-UHFFFAOYSA-N
-rxn:4:221910:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nc(/N=C/N(C)C)c(C#N)c(C#N)c4C#N)cc3)cc2)CC1,QYYRKHHGECVJSB-FADJLKOXSA-N
-rxn:4:221920:224772,CCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,OTAUQQGEVLPULP-UHFFFAOYSA-N
-rxn:4:221933:223815,CN(C(=O)c1cncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1)C1CN(c2nccnc2C#N)C1,OUQXHJYWJQLOFI-UHFFFAOYSA-N
-rxn:4:221943:222927,Cc1nc(N2CCCCC2O)ncc1-c1cncc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c1,AYCJFVQJHLKEIE-UHFFFAOYSA-N
-rxn:4:221943:225562,CC(C)(C)OCc1cc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)ccc1F,XQOMMXIZNLOILX-UHFFFAOYSA-N
-rxn:4:221962:222896,CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(CNC(=O)OC(C)(C)C)s5)c4)CC3)nn2)n1,ULAFXMUZPLZFDC-UHFFFAOYSA-N
-rxn:4:221965:222411,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=S)NC)cc5)cc4)CC3)nn2)CC1,JTVHNXDSNJLCLW-UHFFFAOYSA-N
-rxn:4:221965:222426,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)C5(CCN(C(=O)OC(C)(C)C)CC5)C(=O)N6)cc4)CC3)nn2)CC1,NJWAODRHEOGXMB-UHFFFAOYSA-N
-rxn:4:221965:222466,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)CC3)nn2)CC1,JJJRYWIMPRZFSA-UHFFFAOYSA-N
-rxn:4:221965:222528,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCc6ccccc6)cc5)cc4)CC3)nn2)CC1,BWLQCIFBTLZZCH-UHFFFAOYSA-N
-rxn:4:221965:222529,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNCc6ccc(OC)cc6)cc5)cc4)CC3)nn2)CC1,GDBZBOVLBVVQOB-UHFFFAOYSA-N
-rxn:4:221965:222537,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,PMHVAQLISKZWBG-UHFFFAOYSA-N
-rxn:4:221965:222539,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CC(NC(=O)OC(C)(C)C)C6)cc4)CC3)nn2)CC1,IQBUGUJHBPDRQL-UHFFFAOYSA-N
-rxn:4:221965:222545,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)NC(=O)OC(C)(C)C)cc5)cc4)CC3)nn2)CC1,WIMLMHBSXSWLOF-UHFFFAOYSA-N
-rxn:4:221965:222595,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6ccc(F)c(F)c6)c5)cc4)CC3)nn2)CC1,YZPJYDMERUNMAG-UHFFFAOYSA-N
-rxn:4:221965:222639,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc([C@H](C)NC(=O)OC(C)(C)C)cc5)cc4)CC3)nn2)CC1,HOWXDYYLGVLRPH-VWLOTQADSA-N
-rxn:4:221965:222700,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)CC3)nn2)CC1,XTTNTQDTMHBLLJ-UHFFFAOYSA-N
-rxn:4:221965:222855,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,PBEIYFBAOMQGQF-UHFFFAOYSA-N
-rxn:4:221965:222995,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(N6CCCC(O)C6)c5)cc4)CC3)nn2)CC1,PRAMTHLVCHLWMC-UHFFFAOYSA-N
-rxn:4:221965:222999,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,KJOCHTXINDQEFX-UHFFFAOYSA-N
-rxn:4:221965:223005,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCNCC6)c(Cl)c5)cc4)CC3)nn2)CC1,UKCBXJRFZAHRKE-UHFFFAOYSA-N
-rxn:4:221965:223012,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6[nH]c(C(=O)OC)cc6c5)cc4)CC3)nn2)CC1,UEXPVZBTWMRSAL-UHFFFAOYSA-N
-rxn:4:221965:223093,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(NS(=O)(=O)C(C)C)c5)cc4)CC3)nn2)CC1,WXDWJOHTTRQQIY-UHFFFAOYSA-N
-rxn:4:221965:223192,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(S(=O)(=O)NC)c5)cc4)CC3)nn2)CC1,LCSUDKKVJPPRQL-UHFFFAOYSA-N
-rxn:4:221965:223264,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NC)c5)cc4)CC3)nn2)CC1,MQUKGCLAFGDPLL-UHFFFAOYSA-N
-rxn:4:221965:223486,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(N(Cc6ccccc6)Cc6ccccc6)cc5C)cc4)CC3)nn2)CC1,AGSMDOBUCIDIHM-UHFFFAOYSA-N
-rxn:4:221965:223488,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,FUFCCXLRBOBXHK-UHFFFAOYSA-N
-rxn:4:221965:223501,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4)CC3)nn2)CC1,WGVBTXUOLDFAOY-UHFFFAOYSA-N
-rxn:4:221965:223505,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)CC3)nn2)CC1,ZCLPAQSGBLXIGX-UHFFFAOYSA-N
-rxn:4:221965:223525,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)CC3)nn2)CC1,HFHPDAGSEFXEBU-UHFFFAOYSA-N
-rxn:4:221965:223549,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(COc6c(C(C)C)cccc6C(C)C)cc5)cc4)CC3)nn2)CC1,OJLBIYGZUJIGQY-UHFFFAOYSA-N
-rxn:4:221965:223553,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6)cc5)cc4)CC3)nn2)CC1,ZEFXZLYFQQTAPU-UHFFFAOYSA-N
-rxn:4:221965:223566,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(-n6c(C)ccc6C)nc(-n6c(C)ccc6C)c5)cc4)CC3)nn2)CC1,PVZUICASPBKBOS-UHFFFAOYSA-N
-rxn:4:221965:223567,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cc(OC(C)C)ccc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,WVPTWFGQGHAQII-UHFFFAOYSA-N
-rxn:4:221965:223572,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c6ccccc56)cc4)CC3)nn2)CC1,DEUWNJKONXIQJC-UHFFFAOYSA-N
-rxn:4:221965:223573,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)CC3)nn2)CC1,PNJOFTPNBWFVDX-UHFFFAOYSA-N
-rxn:4:221965:223579,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6C)cc5)cc4)CC3)nn2)CC1,WOTCRQCIKFICKS-UHFFFAOYSA-N
-rxn:4:221965:223597,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)CC3)nn2)CC1,NDQMWWDXIZHUFB-UHFFFAOYSA-N
-rxn:4:221965:223641,CCc1cc2c(cc1F)cc(-c1ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc1)n2C(=O)OC(C)(C)C,WVDHJUVNSMXGEF-UHFFFAOYSA-N
-rxn:4:221965:223646,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCN(C(=O)OC(C)(C)C)C6)cc5)cc4)CC3)nn2)CC1,XNRRVAHDXAGLSC-UHFFFAOYSA-N
-rxn:4:221965:223648,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)CC3)nn2)CC1,OEISOKFUSWNKFP-UHFFFAOYSA-N
-rxn:4:221965:223677,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OCc6ccccc6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,WWQGAQAPDNMVGF-UHFFFAOYSA-N
-rxn:4:221965:223681,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cc([N+](=O)[O-])ccc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,IIBJCYHDOMJIBZ-UHFFFAOYSA-N
-rxn:4:221965:223683,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCN(C(=O)OC(C)(C)C)C6)nc5)cc4)CC3)nn2)CC1,MRYWCHQEWSXSLQ-UHFFFAOYSA-N
-rxn:4:221965:223688,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5OC)cc4)CC3)nn2)CC1,GKTOYTYLYDHNOA-UHFFFAOYSA-N
-rxn:4:221965:223693,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c5F)cc4)CC3)nn2)CC1,YIOUZGMOZXGIIZ-UHFFFAOYSA-N
-rxn:4:221965:223695,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cc4)CC3)nn2)CC1,BJBWBCWOKKMMCB-UHFFFAOYSA-N
-rxn:4:221965:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)cc1,OTKCSFDCCNZIGF-UHFFFAOYSA-N
-rxn:4:221965:223729,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)(C)C)ccc5OCc5ccccc5)cc4)CC3)nn2)CC1,QLYJKVMMNQJJPW-UHFFFAOYSA-N
-rxn:4:221965:223737,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(c6ccccc6)N6CCCC6)cc5)cc4)CC3)nn2)CC1,PIFVUAIOTPRGGW-UHFFFAOYSA-N
-rxn:4:221965:223741,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CN6CCCc7ccccc76)ccc5F)cc4)CC3)nn2)CC1,UZISWNHGBLZVNG-UHFFFAOYSA-N
-rxn:4:221965:223742,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(CC)Cc6ccccc6)cc5)cc4)CC3)nn2)CC1,MBHAEWSNKGYXTF-UHFFFAOYSA-N
-rxn:4:221965:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2F)CC1,VWEARFSMIGEZOJ-UHFFFAOYSA-N
-rxn:4:221965:223785,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2Cl)CC1,OYCPSEVBKZJCDY-UHFFFAOYSA-N
-rxn:4:221965:223796,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(COc6cccc(C(F)(F)F)c6)c5)cc4)CC3)nn2)CC1,SXUZDDJFNWSJMH-UHFFFAOYSA-N
-rxn:4:221965:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,MAMOOAWQDCHCRT-UHFFFAOYSA-N
-rxn:4:221965:223857,CCCCn1c2ccccc2c2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)ccc21,LEARLLZSLCXREO-UHFFFAOYSA-N
-rxn:4:221965:223863,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6ccc(OCC(C)C)cc6)cc5)cc4)CC3)nn2)CC1,PGZNMRYOJVBGBR-UHFFFAOYSA-N
-rxn:4:221965:223871,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N(C)Cc6ccccc6)c5)cc4)CC3)nn2)CC1,WJADYLIUGFRAED-UHFFFAOYSA-N
-rxn:4:221965:223888,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)N(C(=O)OC(C)(C)C)CCC6)cc4)CC3)nn2)CC1,IGBNIFPAZYLSRO-UHFFFAOYSA-N
-rxn:4:221965:223892,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,ZSKLFURXUWWYIP-UHFFFAOYSA-N
-rxn:4:221965:223894,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)cc4)CC3)nn2)CC1,PHNRYLSCLOXDNS-UHFFFAOYSA-N
-rxn:4:221965:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,YLYAHQIXGIQJEA-UHFFFAOYSA-N
-rxn:4:221965:223902,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC(C)CC6)c(F)c5)cc4)CC3)nn2)CC1,MAUNZKUVDAPWCR-UHFFFAOYSA-N
-rxn:4:221965:223940,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)OCCN6C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,VMMMMNBJLYSWDH-UHFFFAOYSA-N
-rxn:4:221965:223946,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(CC)C(=O)OC(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,VQDIIJNADGQPSB-UHFFFAOYSA-N
-rxn:4:221965:223956,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(Cc6ccccc6)[SH](=O)=O)cc5)cc4)CC3)nn2)CC1,OCIGKNZJPOWRMM-UHFFFAOYSA-N
-rxn:4:221965:223973,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC(C)C6)cc5C(F)(F)F)cc4)CC3)nn2)CC1,OFZVOOONTDCZRS-UHFFFAOYSA-N
-rxn:4:221965:224042,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCc7ccccc76)cc5)cc4)CC3)nn2)CC1,NSPZMSYJTQAMTA-UHFFFAOYSA-N
-rxn:4:221965:224046,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(C)Cc6ccccc6)cc5)cc4)CC3)nn2)CC1,ZISVNFIIZROJOA-UHFFFAOYSA-N
-rxn:4:221965:224049,CCc1cc(OCc2ccccc2)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,IELZCLBQZHDXLR-UHFFFAOYSA-N
-rxn:4:221965:224050,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1OCc1ccccc1,FSLUTDZFMVUTFA-UHFFFAOYSA-N
-rxn:4:221965:224051,CCc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,RZACUXUVBWPDSM-UHFFFAOYSA-N
-rxn:4:221965:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)c(F)c2)CC1,ZPNUFCHZKZNMEJ-QVYRIUEQSA-N
-rxn:4:221965:224057,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(C)cc5OCc5ccccc5)cc4)CC3)nn2)CC1,BCCDGQVWFNYXBI-UHFFFAOYSA-N
-rxn:4:221965:224077,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn([Si](C)(C)C(C)(C)C)c6ccccc56)cc4)CC3)nn2)CC1,VKTLESNQTYTSKS-UHFFFAOYSA-N
-rxn:4:221965:224084,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6cccc(C#N)c6)cc5)cc4)CC3)nn2)CC1,ICWUQRSLUQEYMQ-UHFFFAOYSA-N
-rxn:4:221965:224088,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCCCCC6)cc5)cc4)CC3)nn2)CC1,MBNRPJJGIAPYPC-UHFFFAOYSA-N
-rxn:4:221965:224089,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC(C)CC6)cc5)cc4)CC3)nn2)CC1,YNHGMCJIIPOTSW-UHFFFAOYSA-N
-rxn:4:221965:224126,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)N6CCN(CC)CC6)c5)cc4)CC3)nn2)CC1,ZOROUNDVPFYQAN-UHFFFAOYSA-N
-rxn:4:221965:224141,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OCc6ccccc6)ccc(C)c5F)cc4)CC3)nn2)CC1,CTMVWJPBQVTOKH-UHFFFAOYSA-N
-rxn:4:221965:224153,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCC6)cc(N6CCCC6)c5)cc4)CC3)nn2)CC1,GDPOGPLTFARVSP-UHFFFAOYSA-N
-rxn:4:221965:224179,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,MKFMWQVHYHCRPN-UHFFFAOYSA-N
-rxn:4:221965:224180,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCCN5CCN(C)CC5)cc4)CC3)nn2)CC1,BVPCTFOIMIJVOG-UHFFFAOYSA-N
-rxn:4:221965:224190,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(O[Si](C)(C)C(C)(C)C)c5)cc4)CC3)nn2)CC1,VVAGIDUJZHMSEB-UHFFFAOYSA-N
-rxn:4:221965:224245,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)cc5-c5cccc([N+](=O)[O-])c5)cc4)CC3)nn2)CC1,NBALQEJQGRONHK-UHFFFAOYSA-N
-rxn:4:221965:224257,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)N6CCCCC6C)ccc5Cl)cc4)CC3)nn2)CC1,SKNZUTYIPHDUDX-UHFFFAOYSA-N
-rxn:4:221965:224305,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c5F)cc4)CC3)nn2)CC1,RRBUCASHFWQOJT-UHFFFAOYSA-N
-rxn:4:221965:224341,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(-c6ccccc6C(F)(F)F)c5)cc4)CC3)nn2)CC1,CZRSHZKIJTVQMA-UHFFFAOYSA-N
-rxn:4:221965:224412,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5)cc4)CC3)nn2)CC1,PIDZXPIWZVGUJH-UHFFFAOYSA-N
-rxn:4:221965:224415,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(F)(F)C(F)(F)C(F)(F)F)c5)cc4)CC3)nn2)CC1,YBNVKNYDBFGKSI-UHFFFAOYSA-N
-rxn:4:221965:224481,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCCC6)cc5)cc4)CC3)nn2)CC1,VJPPDKKACFTADI-UHFFFAOYSA-N
-rxn:4:221965:224493,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CO[Si](C)(C)C(C)(C)C)cc5)cc4)CC3)nn2)CC1,WQRGREMIHNBMAP-UHFFFAOYSA-N
-rxn:4:221965:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)CC1,YNORDHAEGUDYRM-UHFFFAOYSA-N
-rxn:4:221965:224570,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)N6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,ZRHAEVWBTVATRZ-UHFFFAOYSA-N
-rxn:4:221965:224602,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6cnn(C7CCCCO7)c6c5)cc4)CC3)nn2)CC1,QKSODRQKUOYKTR-UHFFFAOYSA-N
-rxn:4:221965:224603,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5cnn6C5CCCCO5)cc4)CC3)nn2)CC1,JXVLNIVMGFMKFH-UHFFFAOYSA-N
-rxn:4:221965:224786,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)nc6ccc(F)cc56)cc4)CC3)nn2)CC1,CTSSMWOYHLWGSB-UHFFFAOYSA-N
-rxn:4:221965:224846,CCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,WGERRFOSFVORSH-UHFFFAOYSA-N
-rxn:4:221965:224884,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,DWHAIPLQTITJHC-UHFFFAOYSA-N
-rxn:4:221965:224916,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCC(C)C6)cc5C)cc4)CC3)nn2)CC1,QFISADMQTOWHHK-UHFFFAOYSA-N
-rxn:4:221965:224931,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)nc(N(CC)CC)c5)cc4)CC3)nn2)CC1,SECVFLUZWHCDEP-UHFFFAOYSA-N
-rxn:4:221965:224933,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCCC6)cc5)cc4)CC3)nn2)CC1,QHNYSELGDSGCLT-UHFFFAOYSA-N
-rxn:4:221965:224971,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C)CC6)cc5)cc4)CC3)nn2)CC1,VBOJEHBIPCHJPO-UHFFFAOYSA-N
-rxn:4:221965:225044,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([Si](C)(C)C)cc([Si](C)(C)C)c5)cc4)CC3)nn2)CC1,WGWBUUDVIQLLRB-UHFFFAOYSA-N
-rxn:4:221965:225079,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6cc(OC(F)F)ccc6c5)cc4)CC3)nn2)CC1,GQLRDGGXYYWKAN-UHFFFAOYSA-N
-rxn:4:221965:225115,CCOc1c(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1OC(C)C,NMVJXEGXEATZCM-UHFFFAOYSA-N
-rxn:4:221965:225218,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCCC(C)C6)c(Cl)c5)cc4)CC3)nn2)CC1,AQHDIKVRTYKVOZ-UHFFFAOYSA-N
-rxn:4:221965:225262,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)OC)cc5OC)cc4)CC3)nn2)CC1,MZWDCBATEAXPHP-UHFFFAOYSA-N
-rxn:4:221965:225326,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c([N+](=O)[O-])c1,CNJRZYGVEQKLRM-UHFFFAOYSA-N
-rxn:4:221965:225426,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)N(CC)CC)cc5)cc4)CC3)nn2)CC1,ZQMOZLKARDTFKO-UHFFFAOYSA-N
-rxn:4:221965:225516,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN(C)C)cc5)cc4)CC3)nn2)CC1,CAOVCHGQTVJWID-UHFFFAOYSA-N
-rxn:4:221965:225529,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(CC)CC)c(F)c5)cc4)CC3)nn2)CC1,OERBOQFLSUGRJA-UHFFFAOYSA-N
-rxn:4:221965:225534,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(CC)CC)c(Cl)c5)cc4)CC3)nn2)CC1,ZWLYPGXHRAXJHW-UHFFFAOYSA-N
-rxn:4:221965:225554,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)(C)C)c(C#N)c5)cc4)CC3)nn2)CC1,RRBVFCXDKUZDJP-UHFFFAOYSA-N
-rxn:4:221965:225557,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6(C(=O)OC)CC6)cc5)cc4)CC3)nn2)CC1,AZBXJUSOLCYGAQ-UHFFFAOYSA-N
-rxn:4:221965:225560,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(COC6CCOC6)c5)cc4)CC3)nn2)CC1,KTTWJPLOAUMKNS-UHFFFAOYSA-N
-rxn:4:221965:225593,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(CN6CCCC6)c5)cc4)CC3)nn2)CC1,VYXBNTPGEHUXES-UHFFFAOYSA-N
-rxn:4:221965:225655,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(N6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,ZJNALGZLSLZNDD-UHFFFAOYSA-N
-rxn:4:221965:225794,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCCCC6)nc5)cc4)CC3)nn2)CC1,MEACEAOIWQSSQA-UHFFFAOYSA-N
-rxn:4:221965:225918,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(F)cc1Cl,LJSFTXCXXBVEAI-UHFFFAOYSA-N
-rxn:4:221965:226060,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C6CC6)c5)cc4)CC3)nn2)CC1,WOGRHEOQBMYHMQ-UHFFFAOYSA-N
-rxn:4:221965:226087,CCCCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,URXONOMLGGDJEI-UHFFFAOYSA-N
-rxn:4:221965:226090,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN(CC)CC)c5)cc4)CC3)nn2)CC1,UXXOJTKLBWMTIP-UHFFFAOYSA-N
-rxn:4:221965:226100,CCC(C)COc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,DQDRJGBRKYREEL-UHFFFAOYSA-N
-rxn:4:221965:226148,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C#C[Si](C)(C)C)c5)cc4)CC3)nn2)CC1,JWNCIUQTJDXEJP-UHFFFAOYSA-N
-rxn:4:221965:226152,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(OC)c5C)cc4)CC3)nn2)CC1,FVNSBKJOSNSUHS-UHFFFAOYSA-N
-rxn:4:221965:226215,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CC/C6=N\OC)cc4)CC3)nn2)CC1,MZKKXISQZMSLJV-CDSHQWRTSA-N
-rxn:4:221965:226238,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C#N,ASNCINYMMSUYLU-UHFFFAOYSA-N
-rxn:4:221965:226243,CCOC(=O)Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,GOEJXPRVLCPPMW-UHFFFAOYSA-N
-rxn:4:221965:226300,CCCC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,FCEVRBYOSITJKL-UHFFFAOYSA-N
-rxn:4:221965:226313,CCOC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1C,BAUAYGZBUOSJSM-UHFFFAOYSA-N
-rxn:4:221965:226427,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCC(C)CC6)cs5)cc4)CC3)nn2)CC1,TXTIWTBRKIKGRH-UHFFFAOYSA-N
-rxn:4:221965:226428,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N6CCCCC6C)cs5)cc4)CC3)nn2)CC1,MBDWUJCRBGJNMW-UHFFFAOYSA-N
-rxn:4:221965:226464,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(OC)ccc6c5OCCO6)cc4)CC3)nn2)CC1,SKTXOWQTBFBPJJ-UHFFFAOYSA-N
-rxn:4:221965:226572,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC6CCCC6)nc5)cc4)CC3)nn2)CC1,HOUUJLTXNGEMGE-UHFFFAOYSA-N
-rxn:4:221965:226594,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(F)cc(OC(C)C)cc5F)cc4)CC3)nn2)CC1,NFWSQCWTXGNWQX-UHFFFAOYSA-N
-rxn:4:221965:226662,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)s5)cc4)CC3)nn2)CC1,QWSLSMGKKBRJBV-UHFFFAOYSA-N
-rxn:4:221965:226691,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(N6CCCC6)c5)cc4)CC3)nn2)CC1,BFEUCQVAKUIZIG-UHFFFAOYSA-N
-rxn:4:221965:226840,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)nc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,HSBWFRFMTRQVBW-UHFFFAOYSA-N
-rxn:4:221965:226911,CCc1cc(C)cc(CC)c1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,CPLQRMIKFDNZOZ-UHFFFAOYSA-N
-rxn:4:221965:226914,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(C)C)cc5C)cc4)CC3)nn2)CC1,BEHGLRXBXIJZDT-UHFFFAOYSA-N
-rxn:4:221965:226916,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C6=CCCC6)c5)cc4)CC3)nn2)CC1,NCSKOAFZKRZTBK-UHFFFAOYSA-N
-rxn:4:221965:226923,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(C6CC6)cc5C)cc4)CC3)nn2)CC1,BFACWMBUOYXDTP-UHFFFAOYSA-N
-rxn:4:221965:226982,CCCCOc1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,ZGUWYOOYKMMRCH-UHFFFAOYSA-N
-rxn:4:221965:226985,CCCCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,HGPVTZZSKNCNKY-UHFFFAOYSA-N
-rxn:4:221965:227008,CC=CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,MFFYBHSHPPFYEU-UHFFFAOYSA-N
-rxn:4:221965:227223,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(N(CC)CC)c5)cc4)CC3)nn2)CC1,AWANKSJOYDYIDO-UHFFFAOYSA-N
-rxn:4:221965:227229,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1C#N,BHKGABMCDXVGQS-UHFFFAOYSA-N
-rxn:4:221965:227233,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC#N)c(OC)c5)cc4)CC3)nn2)CC1,JPWMWENFBUWLDW-UHFFFAOYSA-N
-rxn:4:221965:227245,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1OC,AHRAHOHJAZRMSZ-UHFFFAOYSA-N
-rxn:4:221965:227303,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CN(C)C)c5F)cc4)CC3)nn2)CC1,JYVHYNUJFKWDOX-UHFFFAOYSA-N
-rxn:4:221965:227351,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C)c5C(=O)OC)cc4)CC3)nn2)CC1,OIMAIVDFZMWOIG-UHFFFAOYSA-N
-rxn:4:221965:227354,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(OC(C)C)c5)cc4)CC3)nn2)CC1,PMCAJXZDRMLTGA-UHFFFAOYSA-N
-rxn:4:221965:227390,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnn5C5CCCCC5)cc4)CC3)nn2)CC1,IUCWXQANIAUMNF-UHFFFAOYSA-N
-rxn:4:221965:227499,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(N(C)CC)c5)cc4)CC3)nn2)CC1,SZSPWYAALLSDEZ-UHFFFAOYSA-N
-rxn:4:221965:227508,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)nc(C(=O)OC)c5)cc4)CC3)nn2)CC1,CLSMEALOMRANSP-UHFFFAOYSA-N
-rxn:4:221965:227515,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC(C)C)cnc5F)cc4)CC3)nn2)CC1,XCRQNIAUKICTNP-UHFFFAOYSA-N
-rxn:4:221965:227578,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)c(OC)cc5OC)cc4)CC3)nn2)CC1,WMOPHEQZVXCXAQ-UHFFFAOYSA-N
-rxn:4:221965:227809,CCCCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,PUYDIECIDNTDBP-UHFFFAOYSA-N
-rxn:4:221965:227836,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)cc5C5CC5)cc4)CC3)nn2)CC1,NPTVDLDXGZQGKX-UHFFFAOYSA-N
-rxn:4:221965:227840,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C)c5C5CC5)cc4)CC3)nn2)CC1,CMEKXGREXPYYRA-UHFFFAOYSA-N
-rxn:4:221965:227884,CCCSc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,FVQUUAMWCGDDDX-UHFFFAOYSA-N
-rxn:4:221965:227887,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCOC)cc5)cc4)CC3)nn2)CC1,JNMNSOKDKIISLG-UHFFFAOYSA-N
-rxn:4:221965:227895,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C=CC#N)cc5)cc4)CC3)nn2)CC1,ADFRRHLIHPXFJZ-UHFFFAOYSA-N
-rxn:4:221965:227911,CCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C#N,WHXYIGVLVPTWSY-UHFFFAOYSA-N
-rxn:4:221965:227927,CCC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,RNQFAOUPRHOYOF-UHFFFAOYSA-N
-rxn:4:221965:227928,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1C,NJMVLMGTCFIBOX-UHFFFAOYSA-N
-rxn:4:221965:227929,CCOc1cc(C)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,YFRMKDFCUGFARX-UHFFFAOYSA-N
-rxn:4:221965:227934,CCOc1ccc(C)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,RDPZHLZGXZHVTL-UHFFFAOYSA-N
-rxn:4:221965:227943,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)ccc5N(C)C)cc4)CC3)nn2)CC1,NZDGDXJNBGLTCS-UHFFFAOYSA-N
-rxn:4:221965:227976,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)CC3)nn2)CC1,JQPURCLHJQJUET-UHFFFAOYSA-N
-rxn:4:221965:227977,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(OC)cc5C)cc4)CC3)nn2)CC1,CTSZAZPMKURQOW-UHFFFAOYSA-N
-rxn:4:221965:227980,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CC6)cc5F)cc4)CC3)nn2)CC1,YSWVOBZAQSSVQV-UHFFFAOYSA-N
-rxn:4:221965:227982,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)cc(OC)c5C)cc4)CC3)nn2)CC1,UQVDBPGDCYFDMW-UHFFFAOYSA-N
-rxn:4:221965:228001,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(C)C)c5)cc4)CC3)nn2)CC1,KSHYJSQBSNXBKU-UHFFFAOYSA-N
-rxn:4:221965:228098,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)CC)nc5)cc4)CC3)nn2)CC1,APCQNCQRZMTCNX-UHFFFAOYSA-N
-rxn:4:221965:228166,CCOc1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,LSNKAGDMHOFSFE-UHFFFAOYSA-N
-rxn:4:221965:228227,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)C)nc5F)cc4)CC3)nn2)CC1,OMLUJWRRPJUMCT-UHFFFAOYSA-N
-rxn:4:221965:228241,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(C)=O)c5)cc4)CC3)nn2)CC1,CMLCXRPUTDNTJS-UHFFFAOYSA-N
-rxn:4:221965:228243,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)=O)c5F)cc4)CC3)nn2)CC1,KTVHCDBLOOSHRJ-UHFFFAOYSA-N
-rxn:4:221965:228303,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)CC)nc5)cc4)CC3)nn2)CC1,ZLSIPPOFEBPVMZ-UHFFFAOYSA-N
-rxn:4:221965:228336,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC)c(SC)c5)cc4)CC3)nn2)CC1,ZHYIDLZAMZQBMV-UHFFFAOYSA-N
-rxn:4:221965:228564,CCC(C)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)s1,ZIPJKLCFBYDPMQ-UHFFFAOYSA-N
-rxn:4:221965:228694,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(N(C)CC)cs5)cc4)CC3)nn2)CC1,WFJMVTCDXUZEFF-UHFFFAOYSA-N
-rxn:4:221968:222583,CN(C(=O)Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1)C1CN(c2ccc3nncn3n2)C1,QYXIMMFXMXHTBS-UHFFFAOYSA-N
-rxn:4:221980:225977,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cnc5N5CCOCC5)c4)sc3n2)CC1,QPRUWLZRTIEKML-UHFFFAOYSA-N
-rxn:4:221981:224485,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)c5)no4)C3C2=O)cc1,RGIIYSHMPBXBTQ-UHFFFAOYSA-N
-rxn:4:221985:223059,Cn1cc(-c2nc3cnc(-c4ccc(N5CCNCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GPGSPRDLXHRVCM-JOCHJYFZSA-N
-rxn:4:222008:223532,Cc1nnc(CN2CCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1C,SCKFXHYJNBMLKH-UHFFFAOYSA-N
-rxn:4:222015:223834,Cc1cc(-c2ccc(C(=O)N3CCN(c4cc(-n5ccnc5C)ncn4)CC3)o2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ONLZFMJSJBOSHJ-UHFFFAOYSA-N
-rxn:4:222018:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCCC(n5cc(-c6nc(C)no6)nn5)C4)c3)cc2)CC1,BNYPDJGWSTXMLK-UHFFFAOYSA-N
-rxn:4:222053:224321,CCc1cc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cn3)CC2)nc(C(C)(C)C)n1,CWXLVYSKSOUJOX-UHFFFAOYSA-N
-rxn:4:222053:224329,CCc1cc(N2CCN(c3ncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cn3)CC2)nc(C(C)(C)C)n1,BYFCRHDIBXBRHD-UHFFFAOYSA-N
-rxn:4:222054:222888,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCNCC6)c(Cl)c5)o4)CC3)nn2)CC1,MYMPWTVSUFQWJG-UHFFFAOYSA-N
-rxn:4:222056:222695,Cc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,JDJWVVFLGHGWBJ-UHFFFAOYSA-N
-rxn:4:222062:222394,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)CC2)n1,REHAWWAVGQBRDS-OGESRWMOSA-N
-rxn:4:222062:222396,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)cc3)CC2)n1,REHAWWAVGQBRDS-UHFFFAOYSA-N
-rxn:4:222062:222399,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)Nc5nc[nH]n5)c4)cc3)CC2)n1,TVIZOUACLWHDEA-UHFFFAOYSA-N
-rxn:4:222062:222407,CCNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HJDYIQHCHXCKGG-UHFFFAOYSA-N
-rxn:4:222062:222408,CNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C,UFUWIFITFVWHIN-UHFFFAOYSA-N
-rxn:4:222062:222412,CNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,LBXYOLRFVQDTLO-UHFFFAOYSA-N
-rxn:4:222062:222413,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4C)cc3)CC2)n1,ZCCVOMMJWQTWFJ-UHFFFAOYSA-N
-rxn:4:222062:222420,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)CC2)n1,MUWJFWLIDJEOLF-UHFFFAOYSA-N
-rxn:4:222062:222421,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(S(N)(=O)=O)c4)cc3)CC2)n1,ZISMLVABTOCPGM-UHFFFAOYSA-N
-rxn:4:222062:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2C)cc1,RJYBLQDTUQTANN-UHFFFAOYSA-N
-rxn:4:222062:222431,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5cccc6ccccc56)cc4)cc3)CC2)n1,CLGRPMVCSDOADF-UHFFFAOYSA-N
-rxn:4:222062:222442,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cc3)CC2)n1,GMQUXURCPQIMLQ-UHFFFAOYSA-N
-rxn:4:222062:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)ccc1F,VMTSGGYJCSTYBU-UHFFFAOYSA-N
-rxn:4:222062:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)c2F)cc1,ZOGFFYAUOOZTAF-UHFFFAOYSA-N
-rxn:4:222062:222492,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OCc5ccccc5)c(F)c4)cc3)CC2)n1,MHELHHFNDSKOQH-UHFFFAOYSA-N
-rxn:4:222062:222496,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCc5ccccc5)cc4)cc3)CC2)n1,DCKCNQQHRQXNBY-UHFFFAOYSA-N
-rxn:4:222062:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,HJHFGQYCHZFKLG-UHFFFAOYSA-N
-rxn:4:222062:222522,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,PZINAEQDCSDXNF-UHFFFAOYSA-N
-rxn:4:222062:222543,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,QMLFBHMNZGEBFR-UHFFFAOYSA-N
-rxn:4:222062:222544,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OCc5ccccc5)cc4)cc3)CC2)n1,XDSJOKSHRRITSN-UHFFFAOYSA-N
-rxn:4:222062:222546,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc3)CC2)n1,SCWNFWMVBXIMIT-UHFFFAOYSA-N
-rxn:4:222062:222550,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCc5ccccc5)c4)cc3)CC2)n1,ARSVZSLGGBYLBI-UHFFFAOYSA-N
-rxn:4:222062:222553,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NCc5ccccc5)ccc4F)cc3)CC2)n1,CBBVJCSDPSKOQA-UHFFFAOYSA-N
-rxn:4:222062:222570,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cc3)CC2)n1,QFPOORWHDGWNTR-UHFFFAOYSA-N
-rxn:4:222062:222580,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cc3)CC2)n1,DAUKNNFKDBNLRP-UHFFFAOYSA-N
-rxn:4:222062:222584,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)CC2)n1,FKPJUTVNIKXVET-UHFFFAOYSA-N
-rxn:4:222062:222589,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,QGLKPGJXANRHJJ-UHFFFAOYSA-N
-rxn:4:222062:222590,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCc5ccccc5)cc4)cc3)CC2)n1,UNRAEUYHVAOXAO-UHFFFAOYSA-N
-rxn:4:222062:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)c1,RSEXQMUINHRXBK-UHFFFAOYSA-N
-rxn:4:222062:222608,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2)n1,ATUHTKSMRJOVET-UHFFFAOYSA-N
-rxn:4:222062:222609,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5ccc(F)cc5)cc4)cc3)CC2)n1,QPUJYBFNISVIGE-UHFFFAOYSA-N
-rxn:4:222062:222620,COc1ccc(CNc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)cc1,TZOPUSKZGLQMMT-UHFFFAOYSA-N
-rxn:4:222062:222636,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,BOHXGDSENOEIRY-RUZDIDTESA-N
-rxn:4:222062:222637,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,BOHXGDSENOEIRY-UHFFFAOYSA-N
-rxn:4:222062:222639,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,BOHXGDSENOEIRY-VWLOTQADSA-N
-rxn:4:222062:222640,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5cccnc5)c4)cc3)CC2)n1,WFABZFBYJKFAHM-UHFFFAOYSA-N
-rxn:4:222062:222641,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5ccccn5)c4)cc3)CC2)n1,APZAORSMPBQGEV-UHFFFAOYSA-N
-rxn:4:222062:222642,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5ccncc5)c4)cc3)CC2)n1,JQVPNQYXLCUDKB-UHFFFAOYSA-N
-rxn:4:222062:222643,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5cccnc5)cc4)cc3)CC2)n1,KRDCWGRNTOVCMD-UHFFFAOYSA-N
-rxn:4:222062:222659,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)cc3)CC2)n1,AQDCPXPAMLZQIS-UHFFFAOYSA-N
-rxn:4:222062:222668,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccccc5Cl)cc4)cc3)CC2)n1,UBUGILAFAFZRPG-UHFFFAOYSA-N
-rxn:4:222062:222691,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)Nc5ccccn5)ccc4F)cc3)CC2)n1,RUOQEYOVZSBRCA-UHFFFAOYSA-N
-rxn:4:222062:222693,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3)CC2)n1,VAECSJGWPVHFKR-UHFFFAOYSA-N
-rxn:4:222062:222695,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)cc3)CC2)n1,ZTARTBHLNPPTGS-UHFFFAOYSA-N
-rxn:4:222062:222698,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,MKAFHZRDIQUSCI-UHFFFAOYSA-N
-rxn:4:222062:222704,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cc3)CC2)n1,SEWXZLMWHOWEJO-UHFFFAOYSA-N
-rxn:4:222062:222708,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC(=O)CC(C)C)cc4)cc3)CC2)n1,DFBQTNJAWSMXBT-UHFFFAOYSA-N
-rxn:4:222062:222732,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCCC5)cc4)cc3)CC2)n1,DSZMPIBSEJYVHX-UHFFFAOYSA-N
-rxn:4:222062:222736,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNc5ccc(F)cc5)cc4)cc3)CC2)n1,CFNWUBKTEKKOQP-UHFFFAOYSA-N
-rxn:4:222062:222738,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NCc5ccc(F)cc5)cc4)cc3)CC2)n1,NBKXGDHBWKJYLH-UHFFFAOYSA-N
-rxn:4:222062:222742,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)n1,YDZBOPLSPQBXGL-UHFFFAOYSA-N
-rxn:4:222062:222748,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC5CCCO5)c4)cc3)CC2)n1,BAZRSMMXPHJSFH-UHFFFAOYSA-N
-rxn:4:222062:222757,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)c5cccs5)cc4)cc3)CC2)n1,NXNDJUSWBGTVMM-UHFFFAOYSA-N
-rxn:4:222062:222763,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccncc5)cc4)cc3)CC2)n1,VUZFVCLFNAKKKX-UHFFFAOYSA-N
-rxn:4:222062:222779,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccncc4CNC(=O)OC(C)(C)C)cc3)CC2)n1,GZIHZVDYPCMHGT-UHFFFAOYSA-N
-rxn:4:222062:222782,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)cc3)CC2)n1,UPGMAQCSFLFOAK-UHFFFAOYSA-N
-rxn:4:222062:222807,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CC5)cc([N+](=O)[O-])c4)cc3)CC2)n1,HVVVKHBBZBZNQW-UHFFFAOYSA-N
-rxn:4:222062:222835,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)CC(C)C)cc4)cc3)CC2)n1,ZUTNCSGRULKAQF-UHFFFAOYSA-N
-rxn:4:222062:222836,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)CC(C)(C)C)cc4)cc3)CC2)n1,BWKXPIDNWMFORD-UHFFFAOYSA-N
-rxn:4:222062:222838,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cc3)CC2)n1,PQRDXYRPASDPOG-UHFFFAOYSA-N
-rxn:4:222062:222841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)n1,UTDHGVZHUFOTEF-UHFFFAOYSA-N
-rxn:4:222062:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,CKDSYKXUBTZLRS-UHFFFAOYSA-N
-rxn:4:222062:222861,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,SFHGMIZFKXRDGZ-UHFFFAOYSA-N
-rxn:4:222062:222863,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1Cl,KMQZRHTVCYFIRW-UHFFFAOYSA-N
-rxn:4:222062:222869,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCC(C)C)c4)cc3)CC2)n1,IGKAFKMDLFZALM-UHFFFAOYSA-N
-rxn:4:222062:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,ABSKDPHJHFABAU-UHFFFAOYSA-N
-rxn:4:222062:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ASOCEAMHQZATPT-UHFFFAOYSA-N
-rxn:4:222062:222914,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)Nc5nccs5)c4)cc3)CC2)n1,RRXRSHQLJVMFLH-UHFFFAOYSA-N
-rxn:4:222062:222917,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5nccs5)cc4)cc3)CC2)n1,PQPBCLRTNMTBRO-UHFFFAOYSA-N
-rxn:4:222062:222933,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(NC(=O)OC(C)(C)C)nc4)cc3)CC2)n1,ANFJMESKMJRALM-UHFFFAOYSA-N
-rxn:4:222062:222934,CCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,HRNRJTBIBRQCPN-UHFFFAOYSA-N
-rxn:4:222062:222935,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)n1,JYUMWRYIIZRXON-UHFFFAOYSA-N
-rxn:4:222062:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HHEUBFXMJLCFDB-UHFFFAOYSA-N
-rxn:4:222062:222939,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nn5cnnc5)cc4)cc3)CC2)n1,RGBVQCHNGGJUSM-UHFFFAOYSA-N
-rxn:4:222062:222945,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC(C)C)c(F)c4)cc3)CC2)n1,MMRHZCNDPUHRRW-UHFFFAOYSA-N
-rxn:4:222062:222948,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2)n1,PBEGFUAMDUPITL-UHFFFAOYSA-N
-rxn:4:222062:222952,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C(F)(F)F)c4F)cc3)CC2)n1,SUEIAIMGBPEVMO-UHFFFAOYSA-N
-rxn:4:222062:222967,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2)n1,PXDQUAVDZIQDGW-UHFFFAOYSA-N
-rxn:4:222062:222971,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(C)(C)C)cc4)cc3)CC2)n1,ILTOXZVHASXYDZ-UHFFFAOYSA-N
-rxn:4:222062:222978,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2)n1,GXTXCPWUVVKTAN-UHFFFAOYSA-N
-rxn:4:222062:222984,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCC(O)C5)cc4)cc3)CC2)n1,PGMYAYHGCHZYHW-UHFFFAOYSA-N
-rxn:4:222062:222991,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(O)C5)cc4)cc3)CC2)n1,MYKMWPTUYBVNLD-UHFFFAOYSA-N
-rxn:4:222062:222992,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5O)cc4)cc3)CC2)n1,VJEIRZRKXNTBTD-UHFFFAOYSA-N
-rxn:4:222062:222993,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCCCC5O)c4)cc3)CC2)n1,ZIBGSRPHMWSRTM-UHFFFAOYSA-N
-rxn:4:222062:222994,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCC(O)CC5)c4)cc3)CC2)n1,VHDLGOKNLXHBNK-UHFFFAOYSA-N
-rxn:4:222062:222995,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCCC(O)C5)c4)cc3)CC2)n1,QLUTZPICDQPQDU-UHFFFAOYSA-N
-rxn:4:222062:223002,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)cc4F)cc3)CC2)n1,GLNUFSARHXGUCR-UHFFFAOYSA-N
-rxn:4:222062:223004,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)c(F)c4)cc3)CC2)n1,UVXHMDAYWAEFTP-UHFFFAOYSA-N
-rxn:4:222062:223005,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)c(Cl)c4)cc3)CC2)n1,TYUBBVLSLDDCGP-UHFFFAOYSA-N
-rxn:4:222062:223008,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)CC2)n1,ODKNSEJLBZBQCE-UHFFFAOYSA-N
-rxn:4:222062:223016,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc2[nH]ccc12,AGZVKTXLAABCFF-UHFFFAOYSA-N
-rxn:4:222062:223021,COCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,VCLVKBALSDQOTN-UHFFFAOYSA-N
-rxn:4:222062:223024,CCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,AJCGIINQIMLNEA-UHFFFAOYSA-N
-rxn:4:222062:223057,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)CC2)n1,HWIDCYGIRQNXFJ-UHFFFAOYSA-N
-rxn:4:222062:223060,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)nc(C5CCNCC5)c4)cc3)CC2)n1,RPGGGDFIODRKPI-UHFFFAOYSA-N
-rxn:4:222062:223065,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)CC2)n1,ARCHOLMVQGJAKO-UHFFFAOYSA-N
-rxn:4:222062:223066,COC(=O)c1n[nH]c2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)ccc12,RPDNJFSAWVJUDZ-UHFFFAOYSA-N
-rxn:4:222062:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HVWZZABCLDYTIZ-UHFFFAOYSA-N
-rxn:4:222062:223084,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4)cc3)CC2)n1,GHSAASVMPJQSEJ-UHFFFAOYSA-N
-rxn:4:222062:223093,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)CC2)n1,JHLQHBFIMWLQGB-UHFFFAOYSA-N
-rxn:4:222062:223094,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1[N+](=O)[O-],BXJVNRMQJBYURH-UHFFFAOYSA-N
-rxn:4:222062:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,NPDXAFFKGIJGGL-UHFFFAOYSA-N
-rxn:4:222062:223104,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)n1,MWGBBSXJFVAZEG-UHFFFAOYSA-N
-rxn:4:222062:223114,CCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,PFYWRUGHIQUWGJ-UHFFFAOYSA-N
-rxn:4:222062:223115,CC(=O)NCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HGDVAAYBLPJSGP-UHFFFAOYSA-N
-rxn:4:222062:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,RYAROTQJFQPDOZ-UHFFFAOYSA-N
-rxn:4:222062:223123,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(C)C)cc4)cc3)CC2)n1,URSPQLXMJPQHDG-UHFFFAOYSA-N
-rxn:4:222062:223137,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCNC5)c4)cc3)CC2)n1,DHNVSLPJYBIHEJ-UHFFFAOYSA-N
-rxn:4:222062:223138,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNCC5)c4)cc3)CC2)n1,BWUPCFOBVFLOTL-UHFFFAOYSA-N
-rxn:4:222062:223141,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCNCC5)c4)cc3)CC2)n1,HSVQKRBPDAKMCF-UHFFFAOYSA-N
-rxn:4:222062:223143,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCC(O)C5)c4)cc3)CC2)n1,PWPCXFVJQBUHJI-UHFFFAOYSA-N
-rxn:4:222062:223144,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)CC2)n1,CQSKJHDJNJNGKX-UHFFFAOYSA-N
-rxn:4:222062:223151,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,UHBYBKSZEQKDMI-UHFFFAOYSA-N
-rxn:4:222062:223167,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCNCC5)c4)cc3)CC2)n1,SPSNIRIWIPGKGK-UHFFFAOYSA-N
-rxn:4:222062:223170,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,WISZFQPAJSPDAC-UHFFFAOYSA-N
-rxn:4:222062:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,DSTKUKQVOJSIEQ-UHFFFAOYSA-N
-rxn:4:222062:223194,CCCNCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,ARFQDVNWFILHTD-UHFFFAOYSA-N
-rxn:4:222062:223200,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)cc4)cc3)CC2)n1,RXHHVWGZKSTRSS-UHFFFAOYSA-N
-rxn:4:222062:223226,CCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,XKMUXJIMDZLLNC-UHFFFAOYSA-N
-rxn:4:222062:223242,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,VUTMWEUWKBNKSI-UHFFFAOYSA-N
-rxn:4:222062:223257,CONC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,FGGJQGNVHGBDSR-UHFFFAOYSA-N
-rxn:4:222062:223261,CNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1Cl,GEFYFCUDDQVIQY-UHFFFAOYSA-N
-rxn:4:222062:223268,CNC(=O)c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,RWFDGGMQLYKKRE-UHFFFAOYSA-N
-rxn:4:222062:223271,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,PVCFOHWZESRFKZ-UHFFFAOYSA-N
-rxn:4:222062:223278,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C5CCNCC5)c4)cc3)CC2)n1,MLMHTTJSZVENTN-UHFFFAOYSA-N
-rxn:4:222062:223353,CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,JBBBSYYUCLLIHD-UHFFFAOYSA-N
-rxn:4:222062:223359,CNCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1F,IELMYSGPPKWSCQ-UHFFFAOYSA-N
-rxn:4:222062:223362,C/C(=N\O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,GPJBIYGXSFJHDT-DFKUXCBWSA-N
-rxn:4:222062:223378,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)NCCO5)cc3)CC2)n1,CHESPNNFQBLIHM-UHFFFAOYSA-N
-rxn:4:222062:223384,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,OQCMWHCEQUEFMT-UHFFFAOYSA-N
-rxn:4:222062:223385,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C=NO)ccc4Cl)cc3)CC2)n1,PZZFYYVTKBWYQM-UHFFFAOYSA-N
-rxn:4:222062:223422,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(/C=N/O)cc4)cc3)CC2)n1,ZLUUMKAJYWTRRR-VFCFBJKWSA-N
-rxn:4:222062:223423,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C=NO)c4)cc3)CC2)n1,VCMJHVCEFVQBED-UHFFFAOYSA-N
-rxn:4:222062:223425,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4C=NO)cc3)CC2)n1,HMXGMUXTOOZHKI-UHFFFAOYSA-N
-rxn:4:222062:223426,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(/C=N/O)c4)cc3)CC2)n1,VCMJHVCEFVQBED-VFCFBJKWSA-N
-rxn:4:222062:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)cc1,XOJYLWTZBBOYMT-UHFFFAOYSA-N
-rxn:4:222062:223498,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,OPIHZHDZSIJIDC-UHFFFAOYSA-N
-rxn:4:222062:223512,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(Cc5ccccc5)Cc5ccccc5)cc4)cc3)CC2)n1,MHNBGERGNIEMFP-UHFFFAOYSA-N
-rxn:4:222062:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)cc1,KUEDFUGGVZAHRY-UHFFFAOYSA-N
-rxn:4:222062:223549,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COc5c(C(C)C)cccc5C(C)C)cc4)cc3)CC2)n1,WCUMGCLGYSTIMU-UHFFFAOYSA-N
-rxn:4:222062:223563,COc1cc(COc2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2C)cc(OC)c1,CWGLHKWEVUHAGC-UHFFFAOYSA-N
-rxn:4:222062:223565,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ncc(-c6ccc(N(C)C)cc6)o5)cc4)cc3)CC2)n1,OBJORGHPMKSVAQ-UHFFFAOYSA-N
-rxn:4:222062:223568,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)CC2)n1,NUPHZUNOXUUNFD-UHFFFAOYSA-N
-rxn:4:222062:223579,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)CC2)n1,MSPCGMGUVBEREO-UHFFFAOYSA-N
-rxn:4:222062:223589,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cc3)CC2)n1,UEQYLEAKMYHNOZ-UHFFFAOYSA-N
-rxn:4:222062:223594,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,RNASOBFFWFNDQR-UHFFFAOYSA-N
-rxn:4:222062:223639,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cc3)CC2)n1,WPQNQQMTISFNHB-UHFFFAOYSA-N
-rxn:4:222062:223669,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)CC2)n1,SYIFITGXXSSYCQ-UHFFFAOYSA-N
-rxn:4:222062:223683,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)CC2)n1,YAHJLNGDALBRMH-UHFFFAOYSA-N
-rxn:4:222062:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)c(F)c2)CC1,IYGRYGSLYYQKON-WXUXXXNLSA-N
-rxn:4:222062:223737,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)cc3)CC2)n1,GRXUOXRYXSXUGD-UHFFFAOYSA-N
-rxn:4:222062:223743,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)cc3)CC2)n1,RUQQIXWLRRFXCU-UHFFFAOYSA-N
-rxn:4:222062:223755,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,LHQNEANYTXYZQU-UHFFFAOYSA-N
-rxn:4:222062:223786,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)n1,MXSMTQVZPVPZKN-UHFFFAOYSA-N
-rxn:4:222062:223787,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cc3)CC2)n1,XDIYPQUVORSMIS-UHFFFAOYSA-N
-rxn:4:222062:223790,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,XOLMHYSLXUOTMW-UHFFFAOYSA-N
-rxn:4:222062:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,ZLMMAEUZWRGPFO-UHFFFAOYSA-N
-rxn:4:222062:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,NCTGTVBPVUSMDI-YALZGCRRSA-N
-rxn:4:222062:223865,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)C)ccc4OCc4ccccc4)cc3)CC2)n1,LOASBPODBOBYQS-UHFFFAOYSA-N
-rxn:4:222062:223878,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(OCc5ccc(Cl)cc5)c(C)c4)cc3)CC2)n1,UHMIKMTVMJVRPX-UHFFFAOYSA-N
-rxn:4:222062:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,LJGAFRXWRVZALT-UHFFFAOYSA-N
-rxn:4:222062:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,LDBGZGKAYRLHCJ-UHFFFAOYSA-N
-rxn:4:222062:223919,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3)CC2)n1,WLCCTPBYYGDPGF-UHFFFAOYSA-N
-rxn:4:222062:223922,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cc3)CC2)n1,YHBYVRMQNZJUQO-UHFFFAOYSA-N
-rxn:4:222062:223923,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cc3)CC2)n1,LEJRQVHOLNLYRR-UHFFFAOYSA-N
-rxn:4:222062:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2F)CC1,NCECNKUZLXDXRY-UHFFFAOYSA-N
-rxn:4:222062:223972,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)cc4C(F)(F)F)cc3)CC2)n1,ARIJMOQKASPQPL-UHFFFAOYSA-N
-rxn:4:222062:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)CC1,YKQUDZSBYKDRPD-UHFFFAOYSA-N
-rxn:4:222062:223988,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Oc5cccc(C(F)(F)F)c5)nc4)cc3)CC2)n1,JCLBHIOPHCPRCY-UHFFFAOYSA-N
-rxn:4:222062:224001,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5ccc(C(F)(F)F)cc5)c(Cl)c4)cc3)CC2)n1,PRFFPCFTOGAQIK-UHFFFAOYSA-N
-rxn:4:222062:224002,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5ccccc5C(F)(F)F)c(Cl)c4)cc3)CC2)n1,SDSRBPKHRWZOAW-UHFFFAOYSA-N
-rxn:4:222062:224011,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)CC2)n1,GBDUQMORJRVPHI-UHFFFAOYSA-N
-rxn:4:222062:224022,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CC2)n1,VBBLEERBRSEMEW-UHFFFAOYSA-N
-rxn:4:222062:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,MTFXUSLAFQBZGX-WXUXXXNLSA-N
-rxn:4:222062:224049,CCc1cc(OCc2ccccc2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,DIAIUXGZZRSORR-UHFFFAOYSA-N
-rxn:4:222062:224058,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5ccccc5)c(C)c4C)cc3)CC2)n1,NBTSBMKINLGRGD-UHFFFAOYSA-N
-rxn:4:222062:224075,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc3)CC2)n1,MBCSONPEKWUKGI-UHFFFAOYSA-N
-rxn:4:222062:224080,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCCCC5)cc4)cc3)CC2)n1,HUEWYRZJPNGCPG-UHFFFAOYSA-N
-rxn:4:222062:224084,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5cccc(C#N)c5)cc4)cc3)CC2)n1,BPYCDZFUMMSTLZ-UHFFFAOYSA-N
-rxn:4:222062:224086,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5ccccc5C#N)cc4)cc3)CC2)n1,MHTNLWCKOHZJOH-UHFFFAOYSA-N
-rxn:4:222062:224092,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ccc4OCc4ccccc4)cc3)CC2)n1,HGMWPJVFTHBOQO-UHFFFAOYSA-N
-rxn:4:222062:224094,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCc4cccc(C#N)c4)cc3)CC2)n1,ZMRNSPDPNGTSPB-UHFFFAOYSA-N
-rxn:4:222062:224096,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCc4ccc(C#N)cc4)cc3)CC2)n1,KDABBSYYUBYNJO-UHFFFAOYSA-N
-rxn:4:222062:224105,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1OCc1ccccc1,IUTRKRRNLZOXCZ-UHFFFAOYSA-N
-rxn:4:222062:224106,COc1ccccc1COc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,FEPASKVVMIBMRN-UHFFFAOYSA-N
-rxn:4:222062:224113,COc1ccccc1COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,AKOXMEWTVCZUPX-UHFFFAOYSA-N
-rxn:4:222062:224123,COc1cc(OCc2ccccc2)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,OJDULCMTJRYYBG-UHFFFAOYSA-N
-rxn:4:222062:224176,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCSC5CCOCC5)cc4)cc3)CC2)n1,AWDSTTLXOWDZSA-UHFFFAOYSA-N
-rxn:4:222062:224184,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCn5ccc(=O)cc5)cc4)cc3)CC2)n1,RZQPOZQDDQSAPY-UHFFFAOYSA-N
-rxn:4:222062:224194,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2Cl)CC1,MVKLPPLXWBXMPF-UHFFFAOYSA-N
-rxn:4:222062:224195,CCN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)ccc2Cl)CC1,DRXORILFCGOHBS-UHFFFAOYSA-N
-rxn:4:222062:224202,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCc5cccnc5)c(C)cc4Cl)cc3)CC2)n1,BOIZHFRCNBLIBI-UHFFFAOYSA-N
-rxn:4:222062:224248,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,MCQXVNWDFIBMOO-UHFFFAOYSA-N
-rxn:4:222062:224252,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)cc3)CC2)n1,UIOIUHJLMDVPHG-UHFFFAOYSA-N
-rxn:4:222062:224256,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCCCC5C)c4)cc3)CC2)n1,HGGRUBCODBLTEF-UHFFFAOYSA-N
-rxn:4:222062:224258,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5C)cc4Cl)cc3)CC2)n1,DEKSNWWHYANPAK-UHFFFAOYSA-N
-rxn:4:222062:224268,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,MOCUKUDBEPDRAV-UHFFFAOYSA-N
-rxn:4:222062:224282,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N(C)C)c5ccccc45)cc3)CC2)n1,IHAVZMHMVKQBJI-UHFFFAOYSA-N
-rxn:4:222062:224286,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc3)CC2)n1,FFJDOCBWDFHCRF-UHFFFAOYSA-N
-rxn:4:222062:224321,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,AHELNDGJSPNSBS-UHFFFAOYSA-N
-rxn:4:222062:224322,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)CC2)n1,VGBUNQQHAMYOKA-UHFFFAOYSA-N
-rxn:4:222062:224326,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cc3)CC2)n1,DSVPIBCPZVLFMW-UHFFFAOYSA-N
-rxn:4:222062:224327,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc3)CC2)n1,ZTUFKDXGYJGSMW-UHFFFAOYSA-N
-rxn:4:222062:224355,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC6(CC5)OCCO6)nc4)cc3)CC2)n1,PLLBEZOJILSPIP-UHFFFAOYSA-N
-rxn:4:222062:224386,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5cccc(C(F)(F)F)c5)nc4)cc3)CC2)n1,BMKHFSUSRLBCST-UHFFFAOYSA-N
-rxn:4:222062:224404,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3)CC2)n1,HIPWZAVXMYWKOZ-UHFFFAOYSA-N
-rxn:4:222062:224412,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)n1,SVOSAXPNFDSGMP-UHFFFAOYSA-N
-rxn:4:222062:224414,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,YQGBRJKCJXCXTD-UHFFFAOYSA-N
-rxn:4:222062:224443,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5ccccc5)cc4C)cc3)CC2)n1,UEPFJQOIGVHIGR-UHFFFAOYSA-N
-rxn:4:222062:224459,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)cc3)CC2)n1,NYXLSEIIPMOIGI-UHFFFAOYSA-N
-rxn:4:222062:224462,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc3)CC2)n1,PVXHUXWPVGKWGO-UHFFFAOYSA-N
-rxn:4:222062:224468,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5ccsc5)cc(C(C)(C)C)c4)cc3)CC2)n1,JDROXXULPVUJDS-UHFFFAOYSA-N
-rxn:4:222062:224471,CCOC(=O)c1cccc2c(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cccc12,URXSKDKFIFFTDO-UHFFFAOYSA-N
-rxn:4:222062:224497,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,GDNKAMDDGCBXMO-UHFFFAOYSA-N
-rxn:4:222062:224505,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5ccccc5)nc4C)cc3)CC2)n1,MXUDNZFKFPNPFW-UHFFFAOYSA-N
-rxn:4:222062:224506,Cc1cnc(OCc2ccccc2)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,GPVSVHNWYRKTRW-UHFFFAOYSA-N
-rxn:4:222062:224535,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5cccc(Cl)c5)cc4)cc3)CC2)n1,WAMCNGUEZWGDHX-UHFFFAOYSA-N
-rxn:4:222062:224570,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3)CC2)n1,BXTKVMDYHVKOLA-UHFFFAOYSA-N
-rxn:4:222062:224584,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,LMVAJGNTAOVNKX-UHFFFAOYSA-N
-rxn:4:222062:224585,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)cc3)CC2)n1,WFPVOKKTTXKWRW-UHFFFAOYSA-N
-rxn:4:222062:224587,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,IYRMUBIUXIPABE-UHFFFAOYSA-N
-rxn:4:222062:224607,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc3)CC2)n1,ZHTGGRNZVIYVPM-UHFFFAOYSA-N
-rxn:4:222062:224621,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCSCC5)cc4)cc3)CC2)n1,CVQLOWUIIGUMRW-UHFFFAOYSA-N
-rxn:4:222062:224626,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COCc5cccs5)c(F)c4)cc3)CC2)n1,XOFPPYYAPJKNMP-UHFFFAOYSA-N
-rxn:4:222062:224648,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)cc3)CC2)n1,XCRFKXIHVYBPKW-UHFFFAOYSA-N
-rxn:4:222062:224652,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,UANKUFJDUIJJQP-UHFFFAOYSA-N
-rxn:4:222062:224658,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,IVEMZRZXNCKVFY-UHFFFAOYSA-N
-rxn:4:222062:224667,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc3)CC2)n1,MJJUHRGHNWVVRK-UHFFFAOYSA-N
-rxn:4:222062:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)c2)CC1,ZUTPGMOKEHBMBU-UHFFFAOYSA-N
-rxn:4:222062:224671,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)cc3)CC2)n1,JJCBXEOGFIAAET-UHFFFAOYSA-N
-rxn:4:222062:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)c(Cl)c2)CC1,KBQOSTQYFNEFQR-UHFFFAOYSA-N
-rxn:4:222062:224673,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5ccccc5C#N)c(Cl)c4)cc3)CC2)n1,FHJXPAQUNXNDRV-UHFFFAOYSA-N
-rxn:4:222062:224674,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5cccc(C#N)c5)c(Cl)c4)cc3)CC2)n1,KIYKVLXAEXIHMC-UHFFFAOYSA-N
-rxn:4:222062:224689,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3)CC2)n1,OKHZJXGOPIFYST-UHFFFAOYSA-N
-rxn:4:222062:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cnc12,WREHAAFCWDGWOW-UHFFFAOYSA-N
-rxn:4:222062:224716,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)cc3)CC2)n1,QVENMLTUPGZILS-UHFFFAOYSA-N
-rxn:4:222062:224729,COc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1C(=O)OC(C)(C)C,QDBHWCXOZKIUQY-UHFFFAOYSA-N
-rxn:4:222062:224732,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)OCC(C)(C)C)cc4)cc3)CC2)n1,LAJNAOGOMQLCDJ-UHFFFAOYSA-N
-rxn:4:222062:224760,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)CC2)n1,PRVANYAKVOMIQW-UHFFFAOYSA-N
-rxn:4:222062:224761,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)cc3)CC2)n1,CVPQFIYBWGMUFM-UHFFFAOYSA-N
-rxn:4:222062:224773,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)n1,KEOBCGVKGGYRKC-UHFFFAOYSA-N
-rxn:4:222062:224774,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)c(C(F)(F)F)c4)cc3)CC2)n1,OZKRGJCBFCOLKM-UHFFFAOYSA-N
-rxn:4:222062:224823,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5cscn5)cc(C(F)(F)F)c4)cc3)CC2)n1,HGJJYDHBCIHWDD-UHFFFAOYSA-N
-rxn:4:222062:224842,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)CC2)n1,UVQQMESKHXFKCL-UHFFFAOYSA-N
-rxn:4:222062:224846,CCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,BPZIRRCQWCJDQM-UHFFFAOYSA-N
-rxn:4:222062:224860,CCCOc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)ccc2c1,FDUGUHJZUHFTEI-UHFFFAOYSA-N
-rxn:4:222062:224864,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN(C(C)C)C(C)C)cc4)cc3)CC2)n1,KUWWUSHUTILXIA-UHFFFAOYSA-N
-rxn:4:222062:224865,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)CC2)n1,VDCVMFHUAQXUMZ-UHFFFAOYSA-N
-rxn:4:222062:224883,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N5CCCCC5)cc4)cc3)CC2)n1,LGXQHGIUQURZPJ-UHFFFAOYSA-N
-rxn:4:222062:224916,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(C)C5)cc4C)cc3)CC2)n1,FOQURJMJLNQGRT-UHFFFAOYSA-N
-rxn:4:222062:224917,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4C)cc3)CC2)n1,RMOXMYOXALPQCC-UHFFFAOYSA-N
-rxn:4:222062:224934,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN5CCCC5)c4)cc3)CC2)n1,DZUDMWVQCDPBTR-UHFFFAOYSA-N
-rxn:4:222062:224970,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,QIXGUWBUJPADLQ-UHFFFAOYSA-N
-rxn:4:222062:224971,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C)CC5)cc4)cc3)CC2)n1,IEORIJZNTVGAPE-UHFFFAOYSA-N
-rxn:4:222062:224975,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,UKSMIHBWUIJZNP-UHFFFAOYSA-N
-rxn:4:222062:224976,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3)CC2)n1,ZCBFOYOLIMPICD-UHFFFAOYSA-N
-rxn:4:222062:224986,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3)CC2)n1,HBESWDCZOBUMQA-UHFFFAOYSA-N
-rxn:4:222062:225014,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5nccs5)cc(C5CC5)c4)cc3)CC2)n1,QTYWWVAKSIJUGQ-UHFFFAOYSA-N
-rxn:4:222062:225016,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5cscn5)cc(C5CC5)c4)cc3)CC2)n1,GLUCMGGRTWAUMD-UHFFFAOYSA-N
-rxn:4:222062:225097,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCn5cccn5)cc4)cc3)CC2)n1,JRRQMTRGJAGBDX-UHFFFAOYSA-N
-rxn:4:222062:225112,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(Cl)c1OC(C)C,KVVOGAZEJRIAFE-UHFFFAOYSA-N
-rxn:4:222062:225114,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(CO[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,YPJCZASKCSHACO-UHFFFAOYSA-N
-rxn:4:222062:225141,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-n5ccc(C)n5)c(C#N)c4)cc3)CC2)n1,VRVQWCSGKIKYQB-UHFFFAOYSA-N
-rxn:4:222062:225142,Cc1cnn(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2C#N)c1,NEBACJLQOMXFPC-UHFFFAOYSA-N
-rxn:4:222062:225176,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCOCC5)c(Cl)c4)cc3)CC2)n1,MIGUVOWRWNQADY-UHFFFAOYSA-N
-rxn:4:222062:225182,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3)CC2)n1,APBMXOZXQVXJMO-UHFFFAOYSA-N
-rxn:4:222062:225195,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(OC5CCCCO5)c4)cc3)CC2)n1,AIDLTLFBUXSAGU-UHFFFAOYSA-N
-rxn:4:222062:225213,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3)CC2)n1,SZBDKJYKWCJNGT-UHFFFAOYSA-N
-rxn:4:222062:225219,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)CC2)n1,USWPISQZOSJNSD-UHFFFAOYSA-N
-rxn:4:222062:225251,CCOC(=O)c1cnn2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc12,PTXQFCMPNQXRDV-UHFFFAOYSA-N
-rxn:4:222062:225326,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c([N+](=O)[O-])c1,LCBXBQZFPJFPTC-UHFFFAOYSA-N
-rxn:4:222062:225329,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(F)(F)F)c(C#N)c4)cc3)CC2)n1,QRTFJMCQTBEFFW-UHFFFAOYSA-N
-rxn:4:222062:225330,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(C(=O)OC)n1,ZYHOFJLNFASBCW-UHFFFAOYSA-N
-rxn:4:222062:225360,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)n5cccn5)cc4)cc3)CC2)n1,IDEMYKZMGQIEPQ-UHFFFAOYSA-N
-rxn:4:222062:225362,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(S(=O)(=O)c5ccccc5)c4)cc3)CC2)n1,ZFIJBIPHSTYMRS-UHFFFAOYSA-N
-rxn:4:222062:225371,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cnc1C(F)(F)F,WFFIESYRVGHFSG-UHFFFAOYSA-N
-rxn:4:222062:225373,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)cc1OC(F)(F)F,UHZLEMWLUAHALJ-UHFFFAOYSA-N
-rxn:4:222062:225375,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(F)(F)C(F)(F)F)cc4)cc3)CC2)n1,GKSCHQFBIYBOAZ-UHFFFAOYSA-N
-rxn:4:222062:225390,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(CC(C)C)cc(C5CC5)c4)cc3)CC2)n1,SIKQTNKRPFGHNK-UHFFFAOYSA-N
-rxn:4:222062:225422,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)c5ccccc45)cc3)CC2)n1,FABAWMPMPNNVIH-UHFFFAOYSA-N
-rxn:4:222062:225423,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CCCCN(C)C)cc4)cc3)CC2)n1,MMIKTNPKJPQSKZ-UHFFFAOYSA-N
-rxn:4:222062:225426,CCN(CC)C(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HSNBHBYUEYTLIT-UHFFFAOYSA-N
-rxn:4:222062:225440,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CCCC5)cc4)cc3)CC2)n1,AXJNFNKEQSHLSS-UHFFFAOYSA-N
-rxn:4:222062:225447,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCCC5)cc4)cc3)CC2)n1,PWANSRDUTOKOSE-UHFFFAOYSA-N
-rxn:4:222062:225449,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OC5CCCCC5)c4)cc3)CC2)n1,CYVTWUMHTGJTHT-UHFFFAOYSA-N
-rxn:4:222062:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,UQJQSPSEPJOUAG-UHFFFAOYSA-N
-rxn:4:222062:225550,CCCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1F,CKCFWKHEWKHKSL-UHFFFAOYSA-N
-rxn:4:222062:225575,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C1CC1,VWVOKYOMTJHROQ-UHFFFAOYSA-N
-rxn:4:222062:225576,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)c(C#N)c4)cc3)CC2)n1,IZGOERBLLVTBPI-UHFFFAOYSA-N
-rxn:4:222062:225597,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCCC5)nc4)cc3)CC2)n1,OEOSAGAYVQPYAN-UHFFFAOYSA-N
-rxn:4:222062:225617,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCCO5)cc4)cc3)CC2)n1,OSGJTDYFPXCFFB-UHFFFAOYSA-N
-rxn:4:222062:225620,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCOCC5)cc4)cc3)CC2)n1,AIHSLZNLJHOXJU-UHFFFAOYSA-N
-rxn:4:222062:225632,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc3)CC2)n1,PUHRPONAKHJIOQ-UHFFFAOYSA-N
-rxn:4:222062:225634,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(C)c4)cc3)CC2)n1,HEAZNFMKKRQMQQ-UHFFFAOYSA-N
-rxn:4:222062:225664,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4Cl)cc3)CC2)n1,OYFIMNLJYSNVQT-UHFFFAOYSA-N
-rxn:4:222062:225674,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)cc4F)cc3)CC2)n1,XVVIFZANNWSDRG-UHFFFAOYSA-N
-rxn:4:222062:225709,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)nc4)cc3)CC2)n1,BAANLTVJUQWSTD-UHFFFAOYSA-N
-rxn:4:222062:225714,CCOCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1Cl,LYOGKMLGODBHJB-UHFFFAOYSA-N
-rxn:4:222062:225754,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C2CC2)cn1,VABBWCRIFMBFTA-UHFFFAOYSA-N
-rxn:4:222062:225756,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C(C)C)cn1,WRMPRHIZODJUSL-UHFFFAOYSA-N
-rxn:4:222062:225798,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCOCC5)nc4)cc3)CC2)n1,VWYPLDJWLZQQME-UHFFFAOYSA-N
-rxn:4:222062:225801,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCC5)c4Cl)cc3)CC2)n1,ZIMJAKYKUJZDOF-UHFFFAOYSA-N
-rxn:4:222062:225825,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,GWCVWLXTCQCMIM-UHFFFAOYSA-N
-rxn:4:222062:225827,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)n1,PLOCAQBIJHMKQS-UHFFFAOYSA-N
-rxn:4:222062:225828,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,RVGABNJKLVDEFF-UHFFFAOYSA-N
-rxn:4:222062:225830,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4C)cc3)CC2)n1,FDAPRHAURUNRIN-UHFFFAOYSA-N
-rxn:4:222062:225849,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,KCURNCKQFLMOHG-UHFFFAOYSA-N
-rxn:4:222062:225852,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4Cl)cc3)CC2)n1,CQYYJJIQCCBICW-UHFFFAOYSA-N
-rxn:4:222062:225871,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)CC2)n1,MPBVWMJZHYCOKP-UHFFFAOYSA-N
-rxn:4:222062:225875,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)cc4Cl)cc3)CC2)n1,OSFWLRSHUFJXRO-UHFFFAOYSA-N
-rxn:4:222062:226002,CC(=O)Oc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1[N+](=O)[O-],DOCGLNDENVUHHQ-UHFFFAOYSA-N
-rxn:4:222062:226045,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,AAXVRPRZHWTEFT-UHFFFAOYSA-N
-rxn:4:222062:226054,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,HICJANXFLJOJQI-UHFFFAOYSA-N
-rxn:4:222062:226062,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)C)cc(C(C)C)c4)cc3)CC2)n1,ZRNUZTFKDAOAFT-UHFFFAOYSA-N
-rxn:4:222062:226114,CCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)c1,SUXNSZLBXWLGJY-UHFFFAOYSA-N
-rxn:4:222062:226129,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN5CCCC5)c4)cc3)CC2)n1,SDKBBEOGMHGAOW-UHFFFAOYSA-N
-rxn:4:222062:226130,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCCC5)cc4)cc3)CC2)n1,IBPKCJBMGDVJRT-UHFFFAOYSA-N
-rxn:4:222062:226137,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cnc4C(C)C)cc3)CC2)n1,VJQRGTVCBYOXRE-UHFFFAOYSA-N
-rxn:4:222062:226141,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OC4CCCC4)cc3)CC2)n1,KIJVBKFRBJZZRQ-UHFFFAOYSA-N
-rxn:4:222062:226142,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OC5CCCC5)c4)cc3)CC2)n1,IHWWCWZVVUPHCV-UHFFFAOYSA-N
-rxn:4:222062:226144,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)CC2)n1,WZYFDTCILRQDGV-UHFFFAOYSA-N
-rxn:4:222062:226150,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(SC5CCCC5)c4)cc3)CC2)n1,NLQOSHBRFKDCPJ-UHFFFAOYSA-N
-rxn:4:222062:226164,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4)cc3)CC2)n1,OITQYGHIEJFPSM-UHFFFAOYSA-N
-rxn:4:222062:226172,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC5)ccc4C)cc3)CC2)n1,QZGGBDLWWZWMIC-UHFFFAOYSA-N
-rxn:4:222062:226174,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCCC5)nc4)cc3)CC2)n1,NPWUHCJOJNMSSL-UHFFFAOYSA-N
-rxn:4:222062:226175,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)cc4C)cc3)CC2)n1,YDZSJGJKPYCLSA-UHFFFAOYSA-N
-rxn:4:222062:226182,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)n1,UPELUSWDKDBJLH-UHFFFAOYSA-N
-rxn:4:222062:226183,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnccc4C4CCCCC4)cc3)CC2)n1,UXIYKQDZPAGQAO-UHFFFAOYSA-N
-rxn:4:222062:226185,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCOCC5)cc4)cc3)CC2)n1,ZGMIKMNAFSKPRY-UHFFFAOYSA-N
-rxn:4:222062:226188,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c([Si](C)(C)C)cc4C)cc3)CC2)n1,OBEKKQMNCDQMHQ-UHFFFAOYSA-N
-rxn:4:222062:226190,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCC5)cc4F)cc3)CC2)n1,GLFIUXNGSKOKLL-UHFFFAOYSA-N
-rxn:4:222062:226197,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCOC5)cc4)cc3)CC2)n1,BJKDJQORIXJWTP-UHFFFAOYSA-N
-rxn:4:222062:226200,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)ncn5C(C)C)cc3)CC2)n1,YKOHZEONSPKKQO-UHFFFAOYSA-N
-rxn:4:222062:226282,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC(C)C)c4F)cc3)CC2)n1,FOYCLCDCXKEPLB-UHFFFAOYSA-N
-rxn:4:222062:226300,CCCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,GUXCLBAXZFSNNA-UHFFFAOYSA-N
-rxn:4:222062:226321,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SC5CCCC5)nc4)cc3)CC2)n1,AEUCBQFQIBIBMQ-UHFFFAOYSA-N
-rxn:4:222062:226364,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)nc4)cc3)CC2)n1,OIDDHCZMYJOUPA-UHFFFAOYSA-N
-rxn:4:222062:226382,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,GAIKCGJPDGYKNR-UHFFFAOYSA-N
-rxn:4:222062:226419,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)cc4Cl)cc3)CC2)n1,OPTZRMCGCILEPC-UHFFFAOYSA-N
-rxn:4:222062:226424,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC(C)C5)cs4)cc3)CC2)n1,YSXBPQAZHFVFFM-UHFFFAOYSA-N
-rxn:4:222062:226429,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(C)C5)s4)cc3)CC2)n1,HBVHJPRGFVBIJU-UHFFFAOYSA-N
-rxn:4:222062:226431,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)c(F)c4)cc3)CC2)n1,CZNCNKJTDYZUHZ-UHFFFAOYSA-N
-rxn:4:222062:226438,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)cc4F)cc3)CC2)n1,HHZYOFDDEVWQRK-UHFFFAOYSA-N
-rxn:4:222062:226496,CCN(CC)c1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,DWBZHORFELVYHX-UHFFFAOYSA-N
-rxn:4:222062:226505,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OCC(C)C)c(Cl)c4)cc3)CC2)n1,ANRSBBKNAKGPQN-UHFFFAOYSA-N
-rxn:4:222062:226517,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(OC)c1C#N,ATWFLFPDFOICOZ-UHFFFAOYSA-N
-rxn:4:222062:226528,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1,NBCWYTZOCGEJAD-UHFFFAOYSA-N
-rxn:4:222062:226567,COC(=O)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,AXXPERLRTCCZPR-UHFFFAOYSA-N
-rxn:4:222062:226661,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2)n1,BDKZLIIBEQTDFA-UHFFFAOYSA-N
-rxn:4:222062:226675,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2)n1,WVTUALYRCLIBPH-UHFFFAOYSA-N
-rxn:4:222062:226716,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccn(C(=O)OC(C)(C)C)n4)cc3)CC2)n1,YPDHNCOOVVVRDG-UHFFFAOYSA-N
-rxn:4:222062:226744,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cnc1C(F)(F)F,NJKLCYNSECVSRW-UHFFFAOYSA-N
-rxn:4:222062:226825,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C(F)(F)F)cc4C)cc3)CC2)n1,RBFJAOHZJYCPSG-UHFFFAOYSA-N
-rxn:4:222062:226842,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,FBLWGRUKJAGEPL-UHFFFAOYSA-N
-rxn:4:222062:226843,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,IZVIGZZKMOZWIV-UHFFFAOYSA-N
-rxn:4:222062:226920,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)(C)C)ccc4C)cc3)CC2)n1,RLOPHMFOFVZYSV-UHFFFAOYSA-N
-rxn:4:222062:226924,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)c(C2CC2)c1,VIBFTOCAJZAMEA-UHFFFAOYSA-N
-rxn:4:222062:226986,CCCCSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,UBFWKNSTWUFOOC-UHFFFAOYSA-N
-rxn:4:222062:226988,COCCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,JLQRIDMLKIBEBH-UHFFFAOYSA-N
-rxn:4:222062:226991,CCC(C)Cc1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,VHYXNJGFZKGTRY-UHFFFAOYSA-N
-rxn:4:222062:226998,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(C)C)cc4)cc3)CC2)n1,OQYZBSQKKLTTTI-UHFFFAOYSA-N
-rxn:4:222062:227018,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)C#N)cc4)cc3)CC2)n1,PDQFKEKRKLBTGQ-UHFFFAOYSA-N
-rxn:4:222062:227019,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(C)(C)C#N)c4)cc3)CC2)n1,FVZBNYJPAQSYIA-UHFFFAOYSA-N
-rxn:4:222062:227022,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCC5)cc4)cc3)CC2)n1,GLCDLIIHBKNJHE-UHFFFAOYSA-N
-rxn:4:222062:227031,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)cc4C#N)cc3)CC2)n1,OJZCJFFRPPBZHX-UHFFFAOYSA-N
-rxn:4:222062:227041,CCOc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C,OBTRBRQSBDXYJU-UHFFFAOYSA-N
-rxn:4:222062:227052,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SC(C)(C)C)cc4)cc3)CC2)n1,RVVPXTRQLIRQRA-UHFFFAOYSA-N
-rxn:4:222062:227079,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(CC(C)C)ccc4F)cc3)CC2)n1,JAQVWDDZWZKXRM-UHFFFAOYSA-N
-rxn:4:222062:227121,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)C)cc4Cl)cc3)CC2)n1,BBSKCSNFFKAVPK-UHFFFAOYSA-N
-rxn:4:222062:227187,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CN(C)C5=O)cc3)CC2)n1,QXYUNTXBQNALRS-UHFFFAOYSA-N
-rxn:4:222062:227207,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCCC5=O)cc3)CC2)n1,KCVKTFMIMMHDTO-UHFFFAOYSA-N
-rxn:4:222062:227224,CCN(CC)c1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,OLTWYJIKBVBKQG-UHFFFAOYSA-N
-rxn:4:222062:227234,CCOc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1C#N,SYHNJQSKUVVTDI-UHFFFAOYSA-N
-rxn:4:222062:227278,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,SKPBCQYDNKBMAL-UHFFFAOYSA-N
-rxn:4:222062:227307,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)nc4OC(C)C)cc3)CC2)n1,MXFJMCDTRGGDMV-UHFFFAOYSA-N
-rxn:4:222062:227471,CCCOc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1Cl,XPKWBRWATARKRK-UHFFFAOYSA-N
-rxn:4:222062:227486,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(F)F)cc4)cc3)CC2)n1,KBGXORFWUCXTRE-UHFFFAOYSA-N
-rxn:4:222062:227508,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(C)n1,ODLZLCPIRDACCA-UHFFFAOYSA-N
-rxn:4:222062:227511,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC(C)C)c4Cl)cc3)CC2)n1,BUJSFGSPRIHEGU-UHFFFAOYSA-N
-rxn:4:222062:227519,COC(=O)c1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,BTIUMKXPCNGDER-UHFFFAOYSA-N
-rxn:4:222062:227522,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)n1,VIQYSXWUYFQCFG-UHFFFAOYSA-N
-rxn:4:222062:227526,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1Cl,YKHNNBNLLQBTTG-UHFFFAOYSA-N
-rxn:4:222062:227661,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C)cc3)CC2)n1,FNSPZECETZZBBI-UHFFFAOYSA-N
-rxn:4:222062:227681,COC(Cn1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1)OC,GBQNSGBSCVYFGI-UHFFFAOYSA-N
-rxn:4:222062:227775,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)nc4Cl)cc3)CC2)n1,IYCNBKZNOYFKCV-UHFFFAOYSA-N
-rxn:4:222062:227782,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)nc4F)cc3)CC2)n1,HHDYOGRHGJYSAN-UHFFFAOYSA-N
-rxn:4:222062:227786,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(F)c(C(F)(F)F)c4)cc3)CC2)n1,RPJVKLMCQXLJQI-UHFFFAOYSA-N
-rxn:4:222062:227789,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)nc(C(F)(F)F)c4)cc3)CC2)n1,ITHODHWYQYIUDU-UHFFFAOYSA-N
-rxn:4:222062:227793,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4F)cc3)CC2)n1,DBSSFOFVJLNDSQ-UHFFFAOYSA-N
-rxn:4:222062:227799,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)F)c(F)c4)cc3)CC2)n1,LQENTYNXAWMQTL-UHFFFAOYSA-N
-rxn:4:222062:227818,CCC(C)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ZOFCBEPEWXAQFX-UHFFFAOYSA-N
-rxn:4:222062:227820,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)CC2)n1,QDNHEBQNYHNJIH-UHFFFAOYSA-N
-rxn:4:222062:227841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)c(C)cc(C)c4C)cc3)CC2)n1,RUTHSOHIYNKGTQ-UHFFFAOYSA-N
-rxn:4:222062:227868,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OCCC5)cc3)CC2)n1,CJKZAOBERHBYHS-UHFFFAOYSA-N
-rxn:4:222062:227879,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CCC#N)c4)cc3)CC2)n1,ZZOQSTXEHKHXOE-UHFFFAOYSA-N
-rxn:4:222062:227893,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN(C)C)c4)cc3)CC2)n1,SZUJRMBCFUHZBK-UHFFFAOYSA-N
-rxn:4:222062:227894,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(/C=C/C#N)c4)cc3)CC2)n1,MCETYNNHURZFBS-GQCTYLIASA-N
-rxn:4:222062:227898,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(CC(C)C)c4)cc3)CC2)n1,DETRTLOCSKCSCX-UHFFFAOYSA-N
-rxn:4:222062:227904,CCN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,GDIVBUAJGWWIQD-UHFFFAOYSA-N
-rxn:4:222062:227945,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)c(C)c4)cc3)CC2)n1,ZPFUYUAQLUPLMF-UHFFFAOYSA-N
-rxn:4:222062:227951,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([N+](C)(C)C)cc4)cc3)CC2)n1,YDJUPSPWPVJXDC-UHFFFAOYSA-N
-rxn:4:222062:227954,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC5)nc4)cc3)CC2)n1,JCQAACGWGVOBMQ-UHFFFAOYSA-N
-rxn:4:222062:227971,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnccc4C(C)(C)C)cc3)CC2)n1,HRDQGOBMTFKRCO-UHFFFAOYSA-N
-rxn:4:222062:227976,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)CC2)n1,BAIKFTNYIBILIE-UHFFFAOYSA-N
-rxn:4:222062:227981,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)cc4Cl)cc3)CC2)n1,IUHFVWONOCESRQ-UHFFFAOYSA-N
-rxn:4:222062:228086,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC#N)c4)cc3)CC2)n1,AXCHKJKEARHZBL-UHFFFAOYSA-N
-rxn:4:222062:228087,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC#N)cc4)cc3)CC2)n1,XBJBVFCUOBITEU-UHFFFAOYSA-N
-rxn:4:222062:228091,CCN(CC)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)s1,QWVBTPCNNRAVGQ-UHFFFAOYSA-N
-rxn:4:222062:228102,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncnc4CC(C)C)cc3)CC2)n1,MEHFUORXNBEORT-UHFFFAOYSA-N
-rxn:4:222062:228111,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)CC2)n1,OGRKHZJNEJHWHI-UHFFFAOYSA-N
-rxn:4:222062:228122,CCOc1nc(C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,CPVAWUJWTDZFDD-UHFFFAOYSA-N
-rxn:4:222062:228140,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N(C)C)s4)cc3)CC2)n1,XWNQJDPGTOUQLY-UHFFFAOYSA-N
-rxn:4:222062:228201,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4)cc3)CC2)n1,MXOKHHXNMPCUHM-UHFFFAOYSA-N
-rxn:4:222062:228203,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)C)nc4Cl)cc3)CC2)n1,NDEAXXNSKPWHRI-UHFFFAOYSA-N
-rxn:4:222062:228224,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C)c4Cl)cc3)CC2)n1,PPORGTJCTMMXJV-UHFFFAOYSA-N
-rxn:4:222062:228268,CSc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc(C)c1F,NOMCUWUADKJMRO-UHFFFAOYSA-N
-rxn:4:222062:228323,CCOc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1F,BZHUPSQUAPKQJM-UHFFFAOYSA-N
-rxn:4:222062:228360,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(C)C)nc4Cl)cc3)CC2)n1,AGBMVTOZOKWLEX-UHFFFAOYSA-N
-rxn:4:222062:228362,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)nc4C4CC4)cc3)CC2)n1,QJXWGLLNDZKGIK-UHFFFAOYSA-N
-rxn:4:222062:228435,CSc1ccc(F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,ANQGWBTWLLSAKB-UHFFFAOYSA-N
-rxn:4:222062:228470,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)n1,YEELGGSLDKANGB-UHFFFAOYSA-N
-rxn:4:222062:228471,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)n1,QTXXAAKVNNSMCP-UHFFFAOYSA-N
-rxn:4:222062:228472,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)nc4)cc3)CC2)n1,VJXFEOQOPPJRMS-UHFFFAOYSA-N
-rxn:4:222062:228474,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3)CC2)n1,DLBWMPBLPLDSGZ-UHFFFAOYSA-N
-rxn:4:222062:228500,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)CC2)n1,OCFWEJOCMBAGNO-UHFFFAOYSA-N
-rxn:4:222062:228504,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CCC5)cc3)CC2)n1,KRWJMMDBVIWQLR-UHFFFAOYSA-N
-rxn:4:222062:228558,CCSc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,NXFKMKZIWVHRML-UHFFFAOYSA-N
-rxn:4:222062:228565,CSCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,YLCJKQJLZIIUCV-UHFFFAOYSA-N
-rxn:4:222062:228566,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccsc4CC(C)C)cc3)CC2)n1,CZWTVVOVVMTPFK-UHFFFAOYSA-N
-rxn:4:222062:228571,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)cc4)cc3)CC2)n1,UTUKYONZWHRRNA-UHFFFAOYSA-N
-rxn:4:222062:228577,CC#Cc1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,RAZVFMBABDRTFW-UHFFFAOYSA-N
-rxn:4:222062:228618,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)Cl)cc4)cc3)CC2)n1,SKGTVFXREITHOE-UHFFFAOYSA-N
-rxn:4:222062:228634,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cc(Cl)cc4C)cc3)CC2)n1,ZBZYFDDFXJKVLO-UHFFFAOYSA-N
-rxn:4:222062:228635,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C)c4C)cc3)CC2)n1,BHRLOUKBKKPYEH-UHFFFAOYSA-N
-rxn:4:222062:228640,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C)c4C)cc3)CC2)n1,ZDYQQWLEZKLKBD-UHFFFAOYSA-N
-rxn:4:222062:228648,Cc1cc(C)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,IVCVXIBMKPBYEB-UHFFFAOYSA-N
-rxn:4:222062:228683,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,RSCTXQVBZILUGT-UHFFFAOYSA-N
-rxn:4:222062:228696,COCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,YZMYPTBBPMSEBS-UHFFFAOYSA-N
-rxn:4:222062:228699,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(N(C)C)c4)cc3)CC2)n1,FERGWRMIKBIGDY-UHFFFAOYSA-N
-rxn:4:222062:228701,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)nc4)cc3)CC2)n1,KWVLILIEKVZNOB-UHFFFAOYSA-N
-rxn:4:222062:228724,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)cc4Cl)cc3)CC2)n1,PRDYZSUNAVSVPQ-UHFFFAOYSA-N
-rxn:4:222062:228730,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(Cl)c4)cc3)CC2)n1,IAXKUKHHXJSLAF-UHFFFAOYSA-N
-rxn:4:222062:228731,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(Cl)c4C#N)cc3)CC2)n1,RASQFPWAHTZLDP-UHFFFAOYSA-N
-rxn:4:222062:228735,COc1cncc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,OSCIVKQEUYJKNK-UHFFFAOYSA-N
-rxn:4:222062:228743,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C#N)cc3)CC2)n1,QWSMVPUWLYLKFB-UHFFFAOYSA-N
-rxn:4:222062:228751,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4C#N)cc3)CC2)n1,RJIWAMRHUXHWSS-UHFFFAOYSA-N
-rxn:4:222062:228759,CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,BJFQXRGZNFQCRS-UHFFFAOYSA-N
-rxn:4:222062:228769,CCc1ncc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,VJEHMNLXAUIWHI-UHFFFAOYSA-N
-rxn:4:222062:228806,CSc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,HOHGPJJTAVZFMQ-UHFFFAOYSA-N
-rxn:4:222062:228808,CSc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,JRTWDCGBBDSXAQ-UHFFFAOYSA-N
-rxn:4:222062:228809,CSc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,FHRSRMXMJKVLCB-UHFFFAOYSA-N
-rxn:4:222062:228824,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,XAWZYEGJGXSSTR-UHFFFAOYSA-N
-rxn:4:222062:228848,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1,FZGIXIGXORWFRY-UHFFFAOYSA-N
-rxn:4:222062:228862,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(CCC#N)c4)cc3)CC2)n1,NIJGEHLBNMXXMO-UHFFFAOYSA-N
-rxn:4:222062:228881,CC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,XHSFSAKQPNISMI-UHFFFAOYSA-N
-rxn:4:222062:228892,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C#N)c4)cc3)CC2)n1,ZPDZVGZYMABKQA-UHFFFAOYSA-N
-rxn:4:222062:228923,CSc1ccnc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,PUZICSGLQAOIDS-UHFFFAOYSA-N
-rxn:4:222062:228936,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ncc(Cl)c4C)cc3)CC2)n1,WERXCONIRLPZMM-UHFFFAOYSA-N
-rxn:4:222062:228938,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cnc(Cl)c4F)cc3)CC2)n1,LVUKVLCGGMVBBT-UHFFFAOYSA-N
-rxn:4:222062:228964,COC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)s1,GDORONMBEKLFBV-UHFFFAOYSA-N
-rxn:4:222062:228968,CSc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)n1,MGBSBXULDNFMHK-UHFFFAOYSA-N
-rxn:4:222062:228969,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cscc4C(F)(F)F)cc3)CC2)n1,OOGGBDSKBPUNRJ-UHFFFAOYSA-N
-rxn:4:222062:229011,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)s4)cc3)CC2)n1,VIERVOHRRKLLHZ-UHFFFAOYSA-N
-rxn:4:222062:229075,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(C#N)s4)cc3)CC2)n1,OWYBPZPGVULRRY-UHFFFAOYSA-N
-rxn:4:222062:229088,CC(=O)c1csc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,SYTVHZCYSWRSCE-UHFFFAOYSA-N
-rxn:4:222062:229089,CC(=O)c1sccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,FXAJVBXLZYJCGL-UHFFFAOYSA-N
-rxn:4:222062:229090,CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cs1,GCKJBUAPDZDLNL-UHFFFAOYSA-N
-rxn:4:222097:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1,TVCCUYPFVCNOKB-UHFFFAOYSA-N
-rxn:4:222102:222589,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,SMWRSSZSRZKGLH-UHFFFAOYSA-N
-rxn:4:222102:222639,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc([C@H](C)NC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,YCJMDVLFJXVTDB-FMJDMSIASA-N
-rxn:4:222102:222859,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCN(C)C)cc6)cc5)no4)C3C2=O)cc1,KLDWZFIAHXXLCU-UHFFFAOYSA-N
-rxn:4:222102:222861,CCCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)ccc1F,ULYRCVAWWWSBCI-UHFFFAOYSA-N
-rxn:4:222102:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,SFKXWFMQFFHAIC-UHFFFAOYSA-N
-rxn:4:222102:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1,OSXLMBYUYXEJJB-UHFFFAOYSA-N
-rxn:4:222102:224458,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(C)CC7)cc6)cc5)no4)C3C2=O)cc1,OPROMZNCEPXHQH-UHFFFAOYSA-N
-rxn:4:222102:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1,TVBUVIUZKJYDTR-UHFFFAOYSA-N
-rxn:4:222102:224967,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(C(C)(C)C)c1,RZWOQBVNNDNISL-UHFFFAOYSA-N
-rxn:4:222102:225004,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6)cc5)no4)C3C2=O)cc1,CDWZSSZVDRTEBU-UHFFFAOYSA-N
-rxn:4:222102:225287,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)ncc6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,SOKXDDZOFPWECY-UHFFFAOYSA-N
-rxn:4:222102:225377,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)F)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,CDAAFGMYDSJRAH-UHFFFAOYSA-N
-rxn:4:222108:223668,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCc7ccccc7)cc6OC(F)(F)F)cc5)no4)C3C2=O)cc1F,ANLFQGUJTUXNTI-UHFFFAOYSA-N
-rxn:4:222108:223761,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCN7C(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1F,NWNKRNCTVAFABI-UHFFFAOYSA-N
-rxn:4:222108:223814,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6F)cc5)no4)C3C2=O)cc1F,DSNAKZIDTVXWAX-UHFFFAOYSA-N
-rxn:4:222108:223831,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,MMRZKIFSPDMDRO-UHFFFAOYSA-N
-rxn:4:222108:224328,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1F,WJFSOANDOGXHRT-UHFFFAOYSA-N
-rxn:4:222108:224621,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCSCC7)cc6)cc5)no4)C3C2=O)cc1F,YLBOKSFSBBYKLT-UHFFFAOYSA-N
-rxn:4:222108:225175,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,WJAOHFAEZBPXOC-UHFFFAOYSA-N
-rxn:4:222108:225202,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,FUVXPAWHZNCCMS-UHFFFAOYSA-N
-rxn:4:222108:225451,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(SC7CCCCC7)cc6)cc5)no4)C3C2=O)cc1F,PDZGVBISIYTFME-UHFFFAOYSA-N
-rxn:4:222108:225773,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)OC(C)C)ccc6F)cc5)no4)C3C2=O)cc1F,NQKLVJKQZLUUON-UHFFFAOYSA-N
-rxn:4:222108:225822,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(F)(F)F)c6C6CC6)cc5)no4)C3C2=O)cc1F,JATIPMZLSCEAQI-UHFFFAOYSA-N
-rxn:4:222108:225877,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)cc6N6CCOCC6)cc5)no4)C3C2=O)cc1F,SIKRPYYSRMBCOJ-UHFFFAOYSA-N
-rxn:4:222108:226654,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6csc(N7CCC(C)CC7)n6)cc5)no4)C3C2=O)cc1F,NZVLDCJFBASSHU-UHFFFAOYSA-N
-rxn:4:222113:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(-n3nnc4c(=O)n(CC(=O)N5CC(C)OC(C)C5)cnc43)cc2)cc1,CONXWBMXTOLQIJ-UHFFFAOYSA-N
-rxn:4:222120:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)c2)cc1,BDNIHFLBGPUZRL-UHFFFAOYSA-N
-rxn:4:222120:222588,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,BHUOCYPLOWCNAY-UHFFFAOYSA-N
-rxn:4:222120:223952,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCN(C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,WMWFRGSKDQCHQA-UHFFFAOYSA-N
-rxn:4:222120:224769,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1C,SCRJBYZEKSGGFH-UHFFFAOYSA-N
-rxn:4:222120:224874,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCCCC7)c6)cc5)no4)C3C2=O)cc1C,GVNYQUBKSCHBTR-UHFFFAOYSA-N
-rxn:4:222120:224965,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,TYJAUMUWTMLVRE-UHFFFAOYSA-N
-rxn:4:222120:225357,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)c(C(F)(F)F)c1,DYATUKRVVPBQLK-UHFFFAOYSA-N
-rxn:4:222120:225423,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCCCN(C)C)cc6)cc5)no4)C3C2=O)cc1C,IHTXXEUBPPZCOD-UHFFFAOYSA-N
-rxn:4:222120:225520,CCCCOC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,DSACQYGCXDKNEQ-UHFFFAOYSA-N
-rxn:4:222120:225590,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1C,VEUFEKDAQXHYOW-UHFFFAOYSA-N
-rxn:4:222120:225640,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1C,DWNPCCCJQPETCY-UHFFFAOYSA-N
-rxn:4:222120:225718,COC(COc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1)OC,LPZBSLXRSNGFJN-UHFFFAOYSA-N
-rxn:4:222120:225736,CCCOc1c(OC)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1F,RGLLGJAGHYSMKM-UHFFFAOYSA-N
-rxn:4:222120:225803,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(OC7CCOCC7)c6)cc5)no4)C3C2=O)cc1C,XIJVQOADEWADOD-UHFFFAOYSA-N
-rxn:4:222120:225890,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(COCC[Si](C)(C)C)c6)cc5)no4)C3C2=O)cc1C,MYYWDEALAWUZII-UHFFFAOYSA-N
-rxn:4:222127:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4cc(N5CCCN(C(=O)c6nn(C)c7ccccc67)CC5)[nH]n4)cc3)ccc2F)CC1,ADIXMPSTTFCYSN-UHFFFAOYSA-N
-rxn:4:222166:224329,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cn3)CC2)ncn1,MCQPLWSTCTUAKO-UHFFFAOYSA-N
-rxn:4:222252:224198,CCN1CCN(Cc2ccc(-c3cnc(SC)nc3N(C)C3CN(c4nccnc4C#N)C3)c(F)c2)CC1,CTKXAQCWPXFOEV-UHFFFAOYSA-N
-rxn:4:222297:223894,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)o4)CC3)ncnc21,HFOJYHWMSOUOTO-UHFFFAOYSA-N
-rxn:4:222330:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ccc(-c6sc(C)nc6C)nn5)CC4)nc3)c(F)c2)CC1,NZWAZVRRLCYJJP-DIVCQZSQSA-N
-rxn:4:222331:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2F)CC1,VPCZLELPAQGDEK-UHFFFAOYSA-N
-rxn:4:222332:222740,CC(C)c1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,HAUJVGOWTSOSPL-UHFFFAOYSA-N
-rxn:4:222337:222988,Cc1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)cc(C2CCNCC2)n1,GJMVOQFHSSWNDF-UHFFFAOYSA-N
-rxn:4:222351:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)c(F)cc2C)CC1,FRPHKZDZYQIGRJ-UHFFFAOYSA-N
-rxn:4:222380:222542,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C)c(OCCCN7CCNCC7)c6)cn5)CC4C3)ncnc21,KEEQGVNSXGBLAM-UHFFFAOYSA-N
-rxn:4:222380:223480,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C)c(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(C)c6)cn5)CC4C3)ncnc21,GKOLMUCMHRJYSF-UHFFFAOYSA-N
-rxn:4:222380:223502,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cn5)CC4C3)ncnc21,VBAAOLQFBSTSQU-UHFFFAOYSA-N
-rxn:4:222380:223695,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)cn5)CC4C3)ncnc21,KYDJLIDCEIEUHG-UHFFFAOYSA-N
-rxn:4:222380:223919,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)N(C)C7CCCCC7)c(Cl)c6)cn5)CC4C3)ncnc21,BCWKJEYZZMWFKL-UHFFFAOYSA-N
-rxn:4:222380:224100,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccccc6OCCN6CCC(C)CC6)cn5)CC4C3)ncnc21,WQZQXWOOORDKEL-UHFFFAOYSA-N
-rxn:4:222389:173980,CCCCCOc1c(F)cc(F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OJQIMXJIADAXLO-UHFFFAOYSA-N
-rxn:4:222543:174514,CC(C)[Si](Oc1cccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1)(C(C)C)C(C)C,GWCPQPRHMGGYPZ-UHFFFAOYSA-N
-rxn:4:222581:207856,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c2ccccc12,AGNVNXHPPQGGPI-UHFFFAOYSA-N
-rxn:4:222600:174522,CC(C)[Si](C#Cc1ccc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc1)(C(C)C)C(C)C,BGKLOBBPDCKBGL-UHFFFAOYSA-N
-rxn:4:222621:215182,CC(C)Cc1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc(C2CCCNC2)n1,YRGPANJUVXSMNX-UHFFFAOYSA-N
-rxn:4:222700:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1OC,LNGKKBUQKKHRQP-UHFFFAOYSA-N
-rxn:4:222744:174603,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc1)C2=O,ZNMYTFCYQPLJOQ-UHFFFAOYSA-N
-rxn:4:222752:178292,COC(=O)C1(c2cccc(-c3ccc(NC(=O)OC(C)(C)C)cc3C)c2)CCC(=O)CC1,XVTLEGQPEWAFNL-UHFFFAOYSA-N
-rxn:4:222890:193967,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(C2CCCNC2)n1,PSVPQZBZTJQHMM-UHFFFAOYSA-N
-rxn:4:222901:204055,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc1,UWKXZKMZRJVVDY-UHFFFAOYSA-N
-rxn:4:222940:187828,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)S(=O)(=O)N(CC(=O)OC(C)(C)C)C3=O)c1,QZALGALBAOTZCM-UHFFFAOYSA-N
-rxn:4:222940:204753,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc2)c1,AJAZPEAGSHTYQT-UHFFFAOYSA-N
-rxn:4:222960:194750,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)c1,RAZMSKGNLOVZLM-UHFFFAOYSA-N
-rxn:4:223061:207854,Fc1cnc(C2CCNCC2)cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,TVTHKOSZVIWOFZ-UHFFFAOYSA-N
-rxn:4:223093:184094,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cncc(NS(=O)(=O)C(C)C)c2)C2CCS(=O)(=O)C2)cc1,JGQOPTQDYPVRRE-UHFFFAOYSA-N
-rxn:4:223102:185435,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2C=CS(=O)(=O)C2)cc1,ZCYONHNAZBWCRS-UHFFFAOYSA-N
-rxn:4:223521:185624,COc1nc2ccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2cc1C(C(=O)c1cccc2ccccc12)c1ccccc1,UYAVXVWZIHXMJH-UHFFFAOYSA-N
-rxn:4:223590:204409,CC(=O)CCn1ncc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc2c1=O,GYWURVSZIQPANO-UHFFFAOYSA-N
-rxn:5:176587:225805:223006,CCOC(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1ccc(F)c(C2CCNCC2)c1,UDAUJCIITVHZNO-UHFFFAOYSA-N
-rxn:5:176860:225514:225831,COC(=O)c1c(-c2cccc3c2OCC2(CC2)CO3)ccc(OC)c1-c1cnc(N2CCOCC2)c(C)c1,BKXFZMXZSUCLRV-UHFFFAOYSA-N
-rxn:5:177180:223061:222989,CCOC(=O)c1c(C)cc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1C,KIUOLIXMRDUGHF-UHFFFAOYSA-N
-rxn:5:177181:222405:223064,CC(C)OC(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2ccc(C3CCNCC3)nc2F)c1,XCDMADODZUBEPJ-UHFFFAOYSA-N
-rxn:5:177181:226662:223006,CC(C)OC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,NUGCZKRRKWMFIH-UHFFFAOYSA-N
-rxn:5:177184:222989:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,VSQDSIQDZRCTLR-UHFFFAOYSA-N
-rxn:5:177184:223065:226429,CCOC(=O)c1c(-c2ccc(N3CCCC(C)C3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,UPDWALVHEIRNJG-UHFFFAOYSA-N
-rxn:5:177185:223063:223018,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,SYKWVUJTEBJEJI-UHFFFAOYSA-N
-rxn:5:177185:223065:226583,CC(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)s1,HUZDWRHBQMKBOZ-UHFFFAOYSA-N
-rxn:5:177186:226662:223007,CCOC(=O)c1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,JLRTUXDLPDBYPZ-UHFFFAOYSA-N
-rxn:5:177189:223056:223002,CCOC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)ccc(C)c1-c1ccc(C2CCNCC2)cc1F,KRUAXHZMNQRWOC-UHFFFAOYSA-N
-rxn:5:177190:222994:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,OXNHKKPSWVBUER-UHFFFAOYSA-N
-rxn:5:177190:223010:226661,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(C3(O)CCOCC3)cc2)c1,YUPFBSRNJROOEC-UHFFFAOYSA-N
-rxn:5:177190:223056:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,SUUHXWMNRGESPZ-UHFFFAOYSA-N
-rxn:5:177190:223056:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,ZXAQROHJXYMEOM-UHFFFAOYSA-N
-rxn:5:177190:225461:226654,CCS(=O)(=O)Cc1ccc(-c2csc(N3CCC(C)CC3)n2)c(-c2ccc(N3CCCCC3)cc2C)c1,CAPIMBUTDOSWBC-UHFFFAOYSA-N
-rxn:5:177190:225465:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(C3CCN(C)CC3)c2)c1,DYMDCLPNVGMSJR-UHFFFAOYSA-N
-rxn:5:177190:225620:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(OC3CCOCC3)cc2)c1,IKLGBLHLHMXFCF-UHFFFAOYSA-N
-rxn:5:177190:225633:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCCCC3)nc2)c1,KBGANUZXUJPNPZ-UHFFFAOYSA-N
-rxn:5:177190:225638:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,BZEGMZRSYAOKKV-UHFFFAOYSA-N
-rxn:5:177190:225805:225684,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(-c2ccc(C(C)N3CCOCC3)s2)c1,QMPAABWPZUJAJS-UHFFFAOYSA-N
-rxn:5:177190:226590:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(OC3CCOC3)nc2)c1,BBXWJCOGHMQHKO-UHFFFAOYSA-N
-rxn:5:177191:222405:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cccc(C5NC(=O)NC5=O)c4)c3)c2)CCC1,JHZYXIJUGVHMTP-UHFFFAOYSA-N
-rxn:5:177191:222998:225805,CC(c1ccc(-c2ccc(CC(=O)C3CC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)s1)N1CCOCC1,HIIKTNFGZWTEOX-UHFFFAOYSA-N
-rxn:5:177191:223008:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCNCC5)ccc4F)c3)c2F)CCC1,XNIOUYGQVORGJK-UHFFFAOYSA-N
-rxn:5:177191:225601:223001,N#CC1(c2ccc(-c3cc(-c4cc(C5CCCNC5)ccc4F)ccc3CC(=O)C3CC3)c(F)c2)CCC1,URDJDOXDSBZRFX-UHFFFAOYSA-N
-rxn:5:177191:225603:222998,N#CC1(c2cccc(-c3cc(-c4cc(F)cc(C5CCCNC5)c4)ccc3CC(=O)C3CC3)c2F)CCC1,VZXUGPUTINTRHZ-UHFFFAOYSA-N
-rxn:5:177193:222989:223065,CCOC(=O)c1cc(C)c(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(N2CCNCC2)cc1F,XUWVAUNSKUWHDP-UHFFFAOYSA-N
-rxn:5:177373:225985:225805,CC(c1ccc(-c2ccc(OCC3OCCO3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)s1)N1CCOCC1,QCYBRJTWAHDPIB-UHFFFAOYSA-N
-rxn:5:177373:227804:225802,O=[N+]([O-])c1cc(-c2cc(-c3ccc(OC4CCCC4)nc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,ZMIHDVINBVXEBA-UHFFFAOYSA-N
-rxn:5:177730:223294:225976,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ccc1-c1ccnc(N2CCOCC2)c1F,JBNXOLODHSDPQC-UHFFFAOYSA-N
-rxn:5:177731:223018:226085,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,IPGNIZNUZGVGLN-UHFFFAOYSA-N
-rxn:5:177731:225438:226679,CC(c1ccc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,FIKMXNAUOHTUHI-UHFFFAOYSA-N
-rxn:5:177731:225982:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,NQPWQMRHZLJXQY-UHFFFAOYSA-N
-rxn:5:177732:223018:226154,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)OC(C)(C)C)ccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,BPWPSZOKMFYTLB-UHFFFAOYSA-N
-rxn:5:177732:223062:225978,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,BOZNTWLAAQXDPC-UHFFFAOYSA-N
-rxn:5:177732:226649:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)s1)N1CCC(O)C1,IPNLPNRHTSSJTL-UHFFFAOYSA-N
-rxn:5:177736:223064:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(C3CCNCC3)nc2F)c1,BYOABGQGPQPIBH-UHFFFAOYSA-N
-rxn:5:177736:225980:226366,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1,FVDVILKUXAWPQH-UHFFFAOYSA-N
-rxn:5:177737:223138:223054,CC(c1ccc(-c2ccc(-c3ccnc(C4CCNCC4)c3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,IESRUUQIXNYHLS-UHFFFAOYSA-N
-rxn:5:177737:225439:223065,CC(c1cccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,HEDYZRVBRUCLSS-UHFFFAOYSA-N
-rxn:5:177737:225980:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ccc1-c1cc(N2CCOCC2)ncc1F,VUPVDCRVZTUDCF-UHFFFAOYSA-N
-rxn:5:177739:223056:223131,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(N2CCNCC2)cc1,ZIFOLLKMCSDKFU-UHFFFAOYSA-N
-rxn:5:177739:223132:223065,CC(C)(C)OC(=O)c1cccc(-c2cccc(N3CCNCC3)c2)c1-c1ccc(N2CCNCC2)cc1F,QRYZLUSIKQEGIU-UHFFFAOYSA-N
-rxn:5:177739:225439:223061,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cc(C3CCNCC3)ncc2F)c1)N1CCCC1,PRMWPIBHKPRSCR-UHFFFAOYSA-N
-rxn:5:177891:222421:222957,Cc1cc(C2CCCNC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(S(N)(=O)=O)c2)c1,CEFFFCZDMJRGQJ-UHFFFAOYSA-N
-rxn:5:177891:222957:227710,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(OS(C)(=O)=O)cc2)cc(C2CCCNC2)c1,PIGKFJXCGCUTSX-UHFFFAOYSA-N
-rxn:5:177891:222981:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccnc(NC2CCCCC2)c1,CHOHBGMJRJGYHP-UHFFFAOYSA-N
-rxn:5:177891:223146:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cccc(C2CNCCO2)c1,XAXPULOIPBWGAQ-UHFFFAOYSA-N
-rxn:5:177891:223284:223140,CS(=O)(=O)Nc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)cc1,PWZQZUMZWGTIRZ-UHFFFAOYSA-N
-rxn:5:177891:226177:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCCC3)c2)ccc1C1COC1,YBPRHWPGEUQPAF-UHFFFAOYSA-N
-rxn:5:177891:226181:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2=CCCCC2)nc1,JTCMHQLULGLWNN-UHFFFAOYSA-N
-rxn:5:177891:226586:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccnc(OC2CCOC2)c1,BPDNPHLZSJNMPE-UHFFFAOYSA-N
-rxn:5:177891:226643:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VYZXRKOYZKGZMG-UHFFFAOYSA-N
-rxn:5:177891:227444:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1cncc(C2CCCO2)c1,NHDOHMYEZXSUFD-UHFFFAOYSA-N
-rxn:5:177891:227449:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1ccc(C2CCOCC2)s1,CUJSKOUKNOLGQE-UHFFFAOYSA-N
-rxn:5:177891:227517:226371,Cc1cc(N2CCCC2)ncc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(OC2COC2)nc1,WLGUTDDRWSXIGX-UHFFFAOYSA-N
-rxn:5:177891:227517:227103,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCCC1)c1ccccc1-c1ccc(OC2COC2)nc1,JNLLHOQLXJLCPI-UHFFFAOYSA-N
-rxn:5:177891:227517:228002,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCC1)c1ccccc1-c1ccc(OC2COC2)nc1,PMBYDANAIMFTLT-UHFFFAOYSA-N
-rxn:5:177891:228879:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)ccc1C1COC1,XOHOQTQDEHWFRH-UHFFFAOYSA-N
-rxn:5:178117:227574:225672,COc1c(F)ccc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)c(OCC3CCOCC3)c2)c1OC,JNNNKXDJBAVHGD-UHFFFAOYSA-N
-rxn:5:178118:222409:223138,COc1ccc(-c2ccc(-c3ccnc(C4CCNCC4)c3)cc2OCC2CCCCO2)cc1S(N)(=O)=O,UQGIEJNPJBSSOB-UHFFFAOYSA-N
-rxn:5:178118:222985:227507,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1OCC1CCCCO1,ZLODKRKPOXRHLU-UHFFFAOYSA-N
-rxn:5:178118:226588:227804,O=[N+]([O-])c1cc(-c2ccc(-c3cc(OC4CCC4)ncc3F)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,OUWUTKDAIANHNI-UHFFFAOYSA-N
-rxn:5:178122:226190:227804,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCC4)cc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,HWIXIDMJSLAANC-UHFFFAOYSA-N
-rxn:5:178122:227592:225448,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3cc(C)ccc3OC3CCCC3)c2)c1OC,XHBCGPSWIASIHZ-UHFFFAOYSA-N
-rxn:5:178224:222988:227507,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2)cc(C2CCNCC2)n1,WIUMUXJKYHLYQH-UHFFFAOYSA-N
-rxn:5:178224:225677:227574,COc1c(F)ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCCCC4)nc3F)c2)c1OC,FQDNXJTXJQRBOH-UHFFFAOYSA-N
-rxn:5:178224:225831:227501,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2)cnc1N1CCOCC1,NKAANJUKSGQGCH-UHFFFAOYSA-N
-rxn:5:178224:225880:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3cc(C4CCOCC4)ncc3F)c2)c([N+](=O)[O-])s1,YIUGJAWDKKKYJM-UHFFFAOYSA-N
-rxn:5:178225:225683:227592,COc1cc(F)cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCOC3)nc2C)c1OC,KMVNNRXYVPCBCJ-UHFFFAOYSA-N
-rxn:5:178295:223230:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,PKHOSCCTKUDCEQ-UHFFFAOYSA-N
-rxn:5:178295:223231:228119,CNC(=O)c1ccc(-c2ccc(-c3ccc(SC(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,QYILELYDYWVRCH-UHFFFAOYSA-N
-rxn:5:178295:223263:228396,CNC(=O)c1ccc(F)c(-c2ccc(-c3c(F)cc(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IHNSLGFLNIFOCH-UHFFFAOYSA-N
-rxn:5:178295:223270:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,NQNQQBWPUSLTKX-UHFFFAOYSA-N
-rxn:5:178295:223270:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,NGBJEYPJKQMITD-UHFFFAOYSA-N
-rxn:5:178295:223270:227841,COC(=O)C1(c2cc(-c3c(C)c(C)cc(C)c3C)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,YQDDALFOVOMWGL-UHFFFAOYSA-N
-rxn:5:178295:223285:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,PQFZIPYJGZIJSF-UHFFFAOYSA-N
-rxn:5:178295:223286:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cccc(NS(C)(=O)=O)c2)CCC(=O)CC1,IOUIPOCFZUXFHH-UHFFFAOYSA-N
-rxn:5:178295:223288:227048,CNS(=O)(=O)c1cccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OWFCXZKEQFGRAW-UHFFFAOYSA-N
-rxn:5:178295:223309:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(NC(C)C)cc2)CCC(=O)CC1,LSRBPMKNOUBRRH-UHFFFAOYSA-N
-rxn:5:178295:223346:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)CNC3=O)CCC(=O)CC1,NOURBWLOTZLGBN-UHFFFAOYSA-N
-rxn:5:178295:223421:226919,CNC(C)c1ccc(-c2ccc(-c3cccc(C4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,LKFCYNRKORUVPQ-UHFFFAOYSA-N
-rxn:5:178295:225438:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DIGOZLQIOOQSJB-UHFFFAOYSA-N
-rxn:5:178295:225499:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,XQXNARLATGZIRD-UHFFFAOYSA-N
-rxn:5:178295:225515:228517,CC#Cc1ccccc1-c1ccc(-c2cccc3c2OCC(C)(C)CO3)c(C2(C(=O)OC)CCC(=O)CC2)c1,DWTWGKFMCHMMNA-UHFFFAOYSA-N
-rxn:5:178295:225594:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc(F)cc2CN2CCCC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RFRYLJNDDBHRCN-UHFFFAOYSA-N
-rxn:5:178295:226058:229087,COC(=O)C1(c2cc(-c3sccc3C(C)=O)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,KEQXSICAAFZCLY-UHFFFAOYSA-N
-rxn:5:178295:226062:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,WANFQUUHXRJXIW-UHFFFAOYSA-N
-rxn:5:178295:226062:228765,CCc1cc(F)c(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,LUZQYDYAQIMZHK-UHFFFAOYSA-N
-rxn:5:178295:226064:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(C3CCCCC3)cc2)CCC(=O)CC1,KLAVAJQXCPPQGR-UHFFFAOYSA-N
-rxn:5:178295:226068:228518,CC#Cc1ccc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,ZFHSAWZPEVWWOV-UHFFFAOYSA-N
-rxn:5:178295:226082:225499,COC(=O)C1(c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2-c2ccc3ccc(OC)cc3c2)CCC(=O)CC1,FTOCQOCLURYGOT-UHFFFAOYSA-N
-rxn:5:178295:226140:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,BFQACDOWLDXRJX-UHFFFAOYSA-N
-rxn:5:178295:226151:228503,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC4)ccc2-c2cc(C)c(C)cc2OC(C)C)CCC(=O)CC1,VICGEEYVLBPDQM-UHFFFAOYSA-N
-rxn:5:178295:226580:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,LXBIXSRVDBFCFJ-UHFFFAOYSA-N
-rxn:5:178295:226589:228595,CCc1ncc(C)cc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,RAFQELVBWLGBCZ-UHFFFAOYSA-N
-rxn:5:178295:226769:228507,CCCc1cccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BKPACWYKBSBXLF-UHFFFAOYSA-N
-rxn:5:178295:226772:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,TZHXVXMDKIRBSJ-UHFFFAOYSA-N
-rxn:5:178295:226907:227309,CCC(C)c1cc(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,MLQFVKPXLXVYIO-UHFFFAOYSA-N
-rxn:5:178295:226907:227569,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3OC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,TYEJTZKXCSFAQD-UHFFFAOYSA-N
-rxn:5:178295:226910:226084,CCC(C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FWSVHHQGLPTRJF-UHFFFAOYSA-N
-rxn:5:178295:226910:227568,CCC(C)(C)c1ccc(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WKONRDJSZPTEQC-UHFFFAOYSA-N
-rxn:5:178295:226911:228013,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(F)c(C3CC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JQQMOFAOTBEDHK-UHFFFAOYSA-N
-rxn:5:178295:226912:227910,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZUANILYQEUSGAI-UHFFFAOYSA-N
-rxn:5:178295:226912:227957,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3C)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,AOUSWHNGHBPSBH-UHFFFAOYSA-N
-rxn:5:178295:226914:228079,COC(=O)C1(c2cc(-c3cccc4c3COC4=O)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,BQZCBVHWTHTLHQ-UHFFFAOYSA-N
-rxn:5:178295:226920:227875,COC(=O)C1(c2cc(-c3cccc4c3CCCO4)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,GLLSZWUIRHGBOA-UHFFFAOYSA-N
-rxn:5:178295:226920:227892,COC(=O)C1(c2cc(-c3ccc(CN(C)C)cc3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,FEQWOJZSVGJTIN-UHFFFAOYSA-N
-rxn:5:178295:226920:228562,CCC(C)c1csc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QGFGUTGSMSWBOT-UHFFFAOYSA-N
-rxn:5:178295:226922:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2c(C)cc(C3CC3)cc2C)CCC(=O)CC1,WGTYEUULNRVEOZ-UHFFFAOYSA-N
-rxn:5:178295:226924:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(C4CC4)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,VELAZDZPXHFORA-UHFFFAOYSA-N
-rxn:5:178295:226926:227978,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3F)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,OWUZOJBOCHCMGJ-UHFFFAOYSA-N
-rxn:5:178295:226966:228276,COC(=O)C1(c2cc(-c3ccc(F)c(C)c3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,SKJJRLVDTSMYPV-UHFFFAOYSA-N
-rxn:5:178295:226968:226924,COC(=O)C1(c2cc(-c3cc(C)cc(C4CC4)c3C)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,DRMLTZPRCOSHFN-UHFFFAOYSA-N
-rxn:5:178295:226969:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,QWTOKOCKMWBZIE-UHFFFAOYSA-N
-rxn:5:178295:227038:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LNYXYELTHJQVAX-UHFFFAOYSA-N
-rxn:5:178295:227048:228006,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3C)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,SSWVUIUYAJTDKY-UHFFFAOYSA-N
-rxn:5:178295:227050:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2ccc(OC(C)C)c(C)c2)CCC(=O)CC1,MELZNYVDMCHQEI-UHFFFAOYSA-N
-rxn:5:178295:227050:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2ccc(OC(C)C)c(C)c2)CCC(=O)CC1,WCIYKIXZTSXCAT-UHFFFAOYSA-N
-rxn:5:178295:227052:226915,COC(=O)C1(c2cc(-c3ccc(C4CCCC4)cc3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,BRWOXFAEZKUNCE-UHFFFAOYSA-N
-rxn:5:178295:227063:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(C)cc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,FOTRHXNHKIDUNT-UHFFFAOYSA-N
-rxn:5:178295:227064:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,JNLSHZXERTUGPE-UHFFFAOYSA-N
-rxn:5:178295:227065:227293,COC(=O)C1(c2cc(-c3cncc(OC(C)(C)C)c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,WFNHQYKRSZCKFU-UHFFFAOYSA-N
-rxn:5:178295:227069:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AAHRXEPESBOJAE-UHFFFAOYSA-N
-rxn:5:178295:227069:228610,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)s3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,PUPXICSRQAXNKT-UHFFFAOYSA-N
-rxn:5:178295:227075:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,PMJPWLCXVMIZQU-UHFFFAOYSA-N
-rxn:5:178295:227076:227079,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GYYMRPXFWYJPLC-UHFFFAOYSA-N
-rxn:5:178295:227076:227329,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)=O)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ISKXNILXJIHPPQ-UHFFFAOYSA-N
-rxn:5:178295:227076:227953,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HGWZVPIKGWNECX-UHFFFAOYSA-N
-rxn:5:178295:227077:227836,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,XGYCMYCLEPQFNZ-UHFFFAOYSA-N
-rxn:5:178295:227077:228461,CCC(C)c1ccc(-c2ccc(-c3cccnc3OC(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,MXYXTWVCCNXJKC-UHFFFAOYSA-N
-rxn:5:178295:227078:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cc(OC)ccc2C2CC2)CCC(=O)CC1,OOBRAVQGWCVSST-UHFFFAOYSA-N
-rxn:5:178295:227102:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,UFAWGBUYLDCGAE-UHFFFAOYSA-N
-rxn:5:178295:227102:227963,COC(=O)C1(c2cc(-c3ccnc(C(C)(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,YMSAPBHOFJKCIL-UHFFFAOYSA-N
-rxn:5:178295:227106:228146,CCc1cncc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,HBUFJJWGRUJGFH-UHFFFAOYSA-N
-rxn:5:178295:227120:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3CCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,IHVUGWPPPSDNJF-UHFFFAOYSA-N
-rxn:5:178295:227124:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,AUIOJMVZVRCTQI-UHFFFAOYSA-N
-rxn:5:178295:227209:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,IOFYJZDVOKEEOP-UHFFFAOYSA-N
-rxn:5:178295:227287:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,INFAECYNSQCJDH-UHFFFAOYSA-N
-rxn:5:178295:227288:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,VERIRKWGQRWFIA-UHFFFAOYSA-N
-rxn:5:178295:227309:226589,CCC(C)c1cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,PYSOBDAQDSQJBU-UHFFFAOYSA-N
-rxn:5:178295:227309:228428,CCC(C)c1cc(-c2ccc(-c3cc(OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,YGHFRWPMAWMTSW-UHFFFAOYSA-N
-rxn:5:178295:227309:228623,CCC(C)c1cc(-c2ccc(-c3sccc3C3CCC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,KOIZNPSRDUFALC-UHFFFAOYSA-N
-rxn:5:178295:227311:225451,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,OLXDYMAOJVIDTJ-UHFFFAOYSA-N
-rxn:5:178295:227311:227834,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C4CC4)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XLGYSVHJAYUKGN-UHFFFAOYSA-N
-rxn:5:178295:227311:228258,CCC(C)c1cc(F)c(-c2ccc(-c3c(C)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,KDLYRFKSIDTGOZ-UHFFFAOYSA-N
-rxn:5:178295:227313:226190,CCC(C)c1cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,DYQIGGIUSZANKC-UHFFFAOYSA-N
-rxn:5:178295:227314:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LNNXOVGVDIPAHD-UHFFFAOYSA-N
-rxn:5:178295:227329:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,UZTWXLDYEBQLHT-UHFFFAOYSA-N
-rxn:5:178295:227352:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,YXRSAVMEXOLDMK-UHFFFAOYSA-N
-rxn:5:178295:227353:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,MTSWHGXNPOMJAW-UHFFFAOYSA-N
-rxn:5:178295:227361:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,LFXOZPPNKLNMTD-UHFFFAOYSA-N
-rxn:5:178295:227496:227926,CCN(C)c1cc(F)c(-c2ccc(-c3ccc(SC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PEXGWQHIVZKHNZ-UHFFFAOYSA-N
-rxn:5:178295:227505:223058,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CCC(=O)CC1,MWGDQHZACOYQFZ-FOWTUZBSSA-N
-rxn:5:178295:227530:227816,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RYSYIUVBYQTSJW-UHFFFAOYSA-N
-rxn:5:178295:227531:227906,CCC(C)c1ncccc1-c1ccc(-c2cc(F)cc(C(=O)OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,FFIMXTGBJMNOQB-UHFFFAOYSA-N
-rxn:5:178295:227568:226919,COC(=O)C1(c2cc(-c3cccc(C4CCCC4)c3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,LQBKAFAMTUGXEG-UHFFFAOYSA-N
-rxn:5:178295:227591:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,SUXZXORRORIEDL-UHFFFAOYSA-N
-rxn:5:178295:227706:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(OC)cnc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KTTUUOLMBZIMMV-UHFFFAOYSA-N
-rxn:5:178295:227810:226913,CCc1cc(-c2ccc(-c3ccc(C(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,DZPSGULDLBVCOR-UHFFFAOYSA-N
-rxn:5:178295:227815:223286,CCC(C)c1ccccc1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1C1(C(=O)OC)CCC(=O)CC1,RNWNAWUNVLQWOW-UHFFFAOYSA-N
-rxn:5:178295:227816:223286,CCCc1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ASCCPBDPISTHGW-UHFFFAOYSA-N
-rxn:5:178295:227817:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,XVFRXNYFNOSKDO-UHFFFAOYSA-N
-rxn:5:178295:227818:227209,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LGAARERIAUDOOB-UHFFFAOYSA-N
-rxn:5:178295:227819:227041,CCOc1cc(C)c(-c2ccc(-c3cc(CC)cc(CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,FHHPLAFHNHVHKU-UHFFFAOYSA-N
-rxn:5:178295:227819:227522,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(=O)OC)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ADWWIMVAFOUKAV-UHFFFAOYSA-N
-rxn:5:178295:227820:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,SOSBWMILLWSCHV-UHFFFAOYSA-N
-rxn:5:178295:227821:227702,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(=O)OC)cnc2F)cc1C1(C(=O)OC)CCC(=O)CC1,JUDKNTXWDAQTSF-UHFFFAOYSA-N
-rxn:5:178295:227822:227077,CCC(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,SWJCQAIHCUKMIH-UHFFFAOYSA-N
-rxn:5:178295:227824:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C4CCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ADVKBEXYXXPTHG-UHFFFAOYSA-N
-rxn:5:178295:227833:227067,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(OC)cc2C2CC2)cc1C1(C(=O)OC)CCC(=O)CC1,XZFOSDRQFHIGLB-UHFFFAOYSA-N
-rxn:5:178295:227835:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C)c(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,CKGLKJKVTUKGAK-UHFFFAOYSA-N
-rxn:5:178295:228107:227065,CCC(C)c1ncncc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,CFLHKVNXFIBIRX-UHFFFAOYSA-N
-rxn:5:178295:228119:227059,COC(=O)C1(c2cc(-c3ccc(OC)c(C(C)C)c3)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,BTFXPDWSYJQVML-UHFFFAOYSA-N
-rxn:5:178295:228119:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,XGBXWJLOYSZUHA-UHFFFAOYSA-N
-rxn:5:178295:228170:227038,CCOc1ccc(F)cc1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,YDLVISVPXNDZRI-UHFFFAOYSA-N
-rxn:5:178295:228177:227562,COCc1ccc(F)cc1-c1ccc(-c2c(F)ccc(OC)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,LLMIAUYIGVIWHK-UHFFFAOYSA-N
-rxn:5:178295:228275:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(F)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,VKBUKHQQBRFWBF-UHFFFAOYSA-N
-rxn:5:178295:228279:227529,CCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,DBYQSZADYYUSQB-UHFFFAOYSA-N
-rxn:5:178295:228339:226920,COC(=O)c1cnccc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,FUYUNTBHISHPFI-UHFFFAOYSA-N
-rxn:5:178295:228344:228195,COC(=O)C1(c2cc(-c3cn(C(C)(C)C)nc3C)ccc2-c2ccc(SC(F)F)cc2)CCC(=O)CC1,SKVKJCDJUGTELT-UHFFFAOYSA-N
-rxn:5:178295:228527:226783,COC(=O)C1(c2cc(-c3c(OC)cc(F)c(F)c3OC)ccc2-c2cccc3c2OCC3)CCC(=O)CC1,UAULEROMJSTEDW-UHFFFAOYSA-N
-rxn:5:178295:228615:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2cc(C)ccc2SC)CCC(=O)CC1,AUKQFJSTPUZDRH-UHFFFAOYSA-N
-rxn:5:178295:228689:226062,CCOc1ccncc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,IGTADPGPBWVNMY-UHFFFAOYSA-N
-rxn:5:178295:228721:227352,COC(=O)c1ccc(C)cc1-c1ccc(-c2ccnn2C(C)(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,XQJBEDFAOMFZNW-UHFFFAOYSA-N
-rxn:5:178295:228777:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(OC)cc2F)CCC(=O)CC1,QTXIOEPYQHVFFM-UHFFFAOYSA-N
-rxn:5:178313:226139:223062,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cnc2C2CC2)c(-c2cnc(C3CCNCC3)cc2F)c1,WJSSNTKSGUKAMT-UHFFFAOYSA-N
-rxn:5:178314:222404:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1O[Si](C)(C)C(C)(C)C,LIIMBQKTMRJIHW-UHFFFAOYSA-N
-rxn:5:178315:222405:225784,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1,OSLYIAUONFQUNO-UHFFFAOYSA-N
-rxn:5:178466:223006:225871,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,DCBWKEALKMCVDT-UHFFFAOYSA-N
-rxn:5:178466:225833:225633,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,SWHTYRTVKTXOPK-UHFFFAOYSA-N
-rxn:5:178467:222989:223203,CCOC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,AUYSNDMTRMDEIA-UHFFFAOYSA-N
-rxn:5:178467:223056:227971,CCOC(=O)C1=Cc2cc(-c3cnccc3C(C)(C)C)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,ZYOFTRVKARBGQN-UHFFFAOYSA-N
-rxn:5:178467:223062:227508,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C(=O)OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ARELZEWUAACKDX-UHFFFAOYSA-N
-rxn:5:178467:223062:227976,CCOC(=O)C1=Cc2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ZYHVUNAPXIYJOC-UHFFFAOYSA-N
-rxn:5:178467:223065:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,MOLNZASHDLEDLW-UHFFFAOYSA-N
-rxn:5:178467:223065:228964,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)s3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,BTDAFNDJRBGUAQ-UHFFFAOYSA-N
-rxn:5:178467:223139:225926,CCOC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,BVYXLNDANIMDLS-UHFFFAOYSA-N
-rxn:5:178467:223140:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KWJPILLVTWWSNK-UHFFFAOYSA-N
-rxn:5:178467:223140:227019,CCOC(=O)C1=Cc2cc(-c3cccc(C(C)(C)C#N)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,WYINAUJHGMGHPL-UHFFFAOYSA-N
-rxn:5:178467:223140:227531,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C(=O)OC)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,XBAGMIPSLXMBHX-UHFFFAOYSA-N
-rxn:5:178467:223313:222957,CCOC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCCNC4)c3)cc(-c3ccc(C4(O)CC4)cc3)c2OC1,HAZPHEDFAARNTB-UHFFFAOYSA-N
-rxn:5:178467:225465:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cccc(C4CCN(C)CC4)c3)c2OC1,VVXHFNYHZVAZLR-UHFFFAOYSA-N
-rxn:5:178467:225515:226645,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,WPSBSNSBEGUNRX-UHFFFAOYSA-N
-rxn:5:178467:225598:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cccc(CN4CCSCC4)c3)c2OC1,RVFJTEUGWJCOMU-UHFFFAOYSA-N
-rxn:5:178467:226148:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,NTMGTYLSDPKSAA-UHFFFAOYSA-N
-rxn:5:178467:226771:227353,CCOC(=O)C1=Cc2cc(-c3c(C)cc(OC)cc3OC)cc(-c3cc(F)c(F)cc3C(=O)OC)c2OC1,VFAVMACDURGAAZ-UHFFFAOYSA-N
-rxn:5:178467:227278:223000,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)c(F)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,BQUOOQHYXAXCFC-UHFFFAOYSA-N
-rxn:5:178467:227666:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C(C)=O)c(F)c3F)c2OC1,KHRGPVDTEIZHMO-UHFFFAOYSA-N
-rxn:5:178467:228099:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(N(C)CC)c3)c2OC1,DCZJZQMFOXTXNM-UHFFFAOYSA-N
-rxn:5:178467:228140:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(C(C)N(C)C)s3)c2OC1,CCMZQSVVJQDQMP-UHFFFAOYSA-N
-rxn:5:178467:228245:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C(C)=O)c(F)c3)c2OC1,KYPWUKOYMPLKEN-UHFFFAOYSA-N
-rxn:5:178467:228317:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C(=O)OC)nc3)c2OC1,QZACEQCHCJJQIL-UHFFFAOYSA-N
-rxn:5:179417:225831:225805,CCS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,NKNRRJDVJDDTSG-UHFFFAOYSA-N
-rxn:5:179418:225581:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(CN3CCOCC3)cc2)s1)N1CCOCC1,HABWOCXWWARZNJ-UHFFFAOYSA-N
-rxn:5:179418:225607:225805,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCCC1,NFPOMUQKTYJBPQ-UHFFFAOYSA-N
-rxn:5:179629:223054:226649,COc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(C)(=O)=O)c1-c1cccnc1N1CCOCC1,PVPNLLQXRVHCIT-UHFFFAOYSA-N
-rxn:5:179629:225805:227404,COc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1cc(N2CCCCC2)cs1,IHTUQGZEHKNWRE-UHFFFAOYSA-N
-rxn:5:179629:225833:226661,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,HBKXWDBTCVTEJX-UHFFFAOYSA-N
-rxn:5:179629:225849:225833,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCCCC2)c1F,YOCFISCHEDINCI-UHFFFAOYSA-N
-rxn:5:180021:225987:226649,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cccnc1N1CCOCC1,DYLKGAFNOAFVEZ-UHFFFAOYSA-N
-rxn:5:180021:226197:225985,COc1c(-c2ccc(C3CCCOC3)cc2)cc(C2OCCO2)cc1-c1cccc(N2CCCS2(=O)=O)c1,PFVWPPKTSQCEKC-UHFFFAOYSA-N
-rxn:5:180022:225622:226665,COc1c(-c2cnc(C3CCCOC3)nc2)ccc(-c2ccccc2OC2CCCCO2)c1C1OCCO1,ANGWSKRTWCXSJX-UHFFFAOYSA-N
-rxn:5:180022:225986:223147,COc1c(-c2ccc(C3CNCCO3)cc2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,HAZTVGQXHFPXQE-UHFFFAOYSA-N
-rxn:5:180022:225987:226427,COc1c(-c2cc(N3CCC(C)CC3)cs2)ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1C1OCCO1,SOAIRJFTLQHXAU-UHFFFAOYSA-N
-rxn:5:180204:225986:225805,CC(c1ccc(-c2ccc(OC3CCOCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)s1)N1CCOCC1,KGQWGTNAQKFCNV-UHFFFAOYSA-N
-rxn:5:180377:225871:222980,CC(C)c1cc(-c2ccc(CN3CCNCC3)cc2)cc(C(C)C)c1-c1cccc(N2C(=O)C=CC2=O)c1,CKOFFTLRRXQYJL-UHFFFAOYSA-N
-rxn:5:180506:226734:226685,CN(C)S(=O)(=O)c1cccc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cnc(C3CCOCC3)nc2)c1,QBLSZGJOSYCOBN-UHFFFAOYSA-N
-rxn:5:180602:225803:227803,COC(=O)C1Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(OC4CCOCC4)c3)c2O1,WFYPHSAQISLQAV-UHFFFAOYSA-N
-rxn:5:180662:222958:226973,COC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3ccc(C)c(C4CCNCC4)c3)c2OC1,NOLNLSWWLPJIJR-UHFFFAOYSA-N
-rxn:5:180662:223006:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,XQDXAVNQRRJBBN-UHFFFAOYSA-N
-rxn:5:180662:223138:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,HMTPXEKQZMYAOA-UHFFFAOYSA-N
-rxn:5:180662:223285:225799,COC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,LPKDRUNQKQMCHL-UHFFFAOYSA-N
-rxn:5:180662:223294:225603,COC(=O)C1=Cc2cc(-c3cccc(C4(C#N)CCC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,KLYAWJDVDAISHF-UHFFFAOYSA-N
-rxn:5:180662:223294:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,DQRCNUQBSANZPM-UHFFFAOYSA-N
-rxn:5:180662:225976:227084,COC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)nc3C)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,JFTVJWPJUCAPNV-UHFFFAOYSA-N
-rxn:5:180662:225982:227379,COC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,MHCZEPPSZDSWHR-UHFFFAOYSA-N
-rxn:5:180662:225982:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,YJCPMIZUTLUYEJ-AATRIKPKSA-N
-rxn:5:180662:226144:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,PAHSWUPWZBOONN-UHFFFAOYSA-N
-rxn:5:180662:226572:226898,COC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnc(OC4CCCC4)nc3)c2OC1,JIEOVFBBJUZSMB-UHFFFAOYSA-N
-rxn:5:180662:227568:225407,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCCC4)cc3)cc(-c3c(F)cc(OC)cc3OC)c2OC1,HTSUCFNHWDPFBN-UHFFFAOYSA-N
-rxn:5:181904:222985:222958,Cc1ccc(-c2c(-c3ccc(C4CCCNC4)nc3C)ccc(C3OCCO3)c2C)cc1C1CCNCC1,PHEYHAIIRKWDHK-UHFFFAOYSA-N
-rxn:5:181904:226686:223058,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)nc(C2CCCNC2)c1,KHRKKHNFECZSEE-UHFFFAOYSA-N
-rxn:5:181905:225607:223134,Cc1ccc(-c2cnccc2C2CCCNC2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,DKDFCWMNMGZIBX-UHFFFAOYSA-N
-rxn:5:181907:225805:226176,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccncc2C2CCCCC2)c(C2OCCO2)c1,ODHCKJBOFAMUSK-UHFFFAOYSA-N
-rxn:5:181907:226686:225683,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,VRZIOWATEWPYGX-UHFFFAOYSA-N
-rxn:5:181908:222981:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(NC3CCCCC3)c2)cc(C2CCNCC2)n1,SCDQANJRGNXUKT-UHFFFAOYSA-N
-rxn:5:181908:222985:225514,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1OCCO1,UHDNIHKASLXXQV-UHFFFAOYSA-N
-rxn:5:181908:222998:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCNCC2)n1,GXFVFTDGNBYKQS-UHFFFAOYSA-N
-rxn:5:182012:226686:225607,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2CCCOC2)c1,ITBCWYNQJBFJJN-UHFFFAOYSA-N
-rxn:5:182013:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCO2)c(C2CCOCC2)c1,PESZRKURPZHGMA-UHFFFAOYSA-N
-rxn:5:183189:225607:222956,Cc1ccc(-c2cc3c(c(-c4ccc(C(C)N5CCCCC5)s4)c2)OC(C)(C)OC3)c(C2CCCNC2)c1,WNPKOXIOEFITHS-UHFFFAOYSA-N
-rxn:5:183216:223056:226144,CC1(C)CC(=O)c2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2O1,KHNWJKQTRGAAQL-UHFFFAOYSA-N
-rxn:5:183228:223056:225987,CC1(C)CCc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2O1,SULFTASWMPKWSH-UHFFFAOYSA-N
-rxn:5:183228:225636:225986,CC1CCN(c2cc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OC(C)(C)CC4)ccn2)CC1,PAGIWXSOHWWVBN-UHFFFAOYSA-N
-rxn:5:183228:225987:223056,CC1(C)CCc2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2O1,DYYYOOSSRHYALC-UHFFFAOYSA-N
-rxn:5:188445:227768:225620,COC(=O)c1cc(-c2cccn2S(=O)(=O)N(C)C)cc([N+](=O)[O-])c1-c1ccc(OC2CCOCC2)cc1,TWMFKRYKUZGMOM-UHFFFAOYSA-N
-rxn:5:188597:223105:225805,CCOc1ccc(-c2cc(S(=O)(=O)NC)c(C)cc2F)c([N+](=O)[O-])c1-c1ccc(C(C)N2CCOCC2)s1,IGGPURWXROFZAK-UHFFFAOYSA-N
-rxn:5:188930:223135:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cccnc1N1CCC(C)CC1,MJKGNUGFHKYAAB-UHFFFAOYSA-N
-rxn:5:188930:223139:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1cccnc1N1CCC(C)CC1,RBZBXYMNKXKSCG-UHFFFAOYSA-N
-rxn:5:188930:223146:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CNCCO3)c2)cc1-c1cccnc1C1CCCNC1,SNDKSCJUEJNMAD-UHFFFAOYSA-N
-rxn:5:188932:223056:226321,COC(=O)c1cc(-c2ccc(SC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)c1,JELIBMYCKXISKX-UHFFFAOYSA-N
-rxn:5:188932:223135:226643,COC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,UIPJEROZRANVEC-UHFFFAOYSA-N
-rxn:5:189080:222405:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1CC(=O)N(C)C,QIDALFKNYQUVTP-UHFFFAOYSA-N
-rxn:5:189208:225985:228151,COC(=O)c1cccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C(=O)ON2C(=O)CCC2=O)c1,QCVWPNQIZHDDQZ-UHFFFAOYSA-N
-rxn:5:189208:226140:228181,COCc1cc(F)ccc1-c1cc(-c2cc(C(C)(C)C)ccc2OC)ccc1C(=O)ON1C(=O)CCC1=O,GSHLXMSANWWYQO-UHFFFAOYSA-N
-rxn:5:189208:228864:225605,CCOc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cc(C)cnc3OC3CCCC3)c2)cn1,PNSVPPQYIXLVAA-UHFFFAOYSA-N
-rxn:5:189209:226330:227020,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cncc(C#CC4CC4)c3)c2)s1)N1CCCC1,RLHNKBATEDXNNW-UHFFFAOYSA-N
-rxn:5:189211:228623:225815,O=C(ON1C(=O)CCC1=O)c1cccc(-c2sccc2C2CCC2)c1-c1ccc(C2CC2)cc1C(F)(F)F,CAHWMHWZHNMRPN-UHFFFAOYSA-N
-rxn:5:189211:228865:225634,CCOc1cnc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cnc(N3CCCCC3)c(C)c2)cn1,YQQBYHDIIWMRQC-UHFFFAOYSA-N
-rxn:5:189212:222985:228510,Cc1nc(C2CCCNC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccccc1C(C)C,NYGFPYPJWJENDR-UHFFFAOYSA-N
-rxn:5:189212:225607:227506,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)s1)N1CCCCC1,IGCWBJFTSJMDTE-SAPNQHFASA-N
-rxn:5:189334:226599:225800,CCOc1c(F)cc(-c2cnc(C(=O)OC(C)(C)C)c(-c3ccc(C(=O)N4CCSC4)cc3)c2)c(C)c1F,VRDJFGWQZWZGLL-UHFFFAOYSA-N
-rxn:5:189539:223018:223183,CNS(=O)(=O)c1ccc(-c2c(C(=O)N(C)C(C)C)cccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C)c1,YXAHRPCGNGDCMT-UHFFFAOYSA-N
-rxn:5:189670:226148:223188,CNc1cc(C(F)(F)F)c(-c2ccc(-c3cccc(C#C[Si](C)(C)C)c3)cc2/C=N/S(=O)C(C)(C)C)cn1,VFQHSPHYOUVICL-MWBNBJEGSA-N
-rxn:5:189671:223018:226917,Cc1cc(-c2cccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2/C=N/S(=O)C(C)(C)C)cc(C(C)(C)C)c1,DFFQPIMCDPKBAP-HNSNBQBZSA-N
-rxn:5:189718:225872:223066,COC(=O)c1n[nH]c2cc(-c3cc([N+](=O)[O-])c(OC4CCOCC4)cc3-c3cc(F)c(F)c(N4CCCC4)c3)ccc12,HREPCZYPDSDLBX-UHFFFAOYSA-N
-rxn:5:189718:227297:227187,CN(C)Cc1ccc(F)c(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cccc3c2CN(C)C3=O)c1,LEHXWESQADPKRD-UHFFFAOYSA-N
-rxn:5:189827:228160:226428,CCOc1cccc(F)c1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(N2CCCCC2C)cs1,PFAOHSHOQQDTSH-UHFFFAOYSA-N
-rxn:5:189829:223264:225576,CNC(=O)c1cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(N4CCCC4)c(C#N)c3)c2OC)ccc1F,GAIDNNWKMFZZJF-UHFFFAOYSA-N
-rxn:5:189909:225976:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,DSOMGNONMPLCIN-UHFFFAOYSA-N
-rxn:5:189952:227316:225978,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,KJCPMWBLECMRDU-UHFFFAOYSA-N
-rxn:5:190194:227349:225451,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCCC3)cc2)c1OC,DRJOCRLPCBCKOY-UHFFFAOYSA-N
-rxn:5:190195:227337:226046,CC(C)Oc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(C(F)(F)C(F)(F)F)c1,ZCAYGVZVPXPLED-UHFFFAOYSA-N
-rxn:5:190195:227684:223113,CN(Cc1ccc(-c2cnn(CC3OCCO3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,HVSXSFDWUCQSDI-UHFFFAOYSA-N
-rxn:5:190200:226663:225451,CN(Cc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(N3CCSCC3)nc2)c1)C1CCOCC1,JTQJPOIHVDSNOO-UHFFFAOYSA-N
-rxn:5:190201:222417:225976,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccnc(N3CCOCC3)c2F)CCO1,GOGBZSZFFAFWDZ-UHFFFAOYSA-N
-rxn:5:190201:227491:223113,CC1CN(CCc2cc(-c3cnc(OC4CCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,DGFJHVWPMFIVAD-UHFFFAOYSA-N
-rxn:5:190231:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,WHGMFEANTDVSEC-UHFFFAOYSA-N
-rxn:5:190231:226468:226158,COc1c(-c2ccccc2N2CCCCC2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc2c1OCC(=O)N2C,QZJRNSLVLMSKGL-UHFFFAOYSA-N
-rxn:5:190265:223285:227052,CC1CCCN(C(=O)Cc2ccc(-c3ccc(SC(C)(C)C)cc3)c(-c3ccccc3NS(C)(=O)=O)c2)C1,HYJVWCIUQHIVNU-UHFFFAOYSA-N
-rxn:5:190335:226579:228103,COc1c(-c2cnc(CC(C)C)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(F)cc(C(=O)N(C)C)c1,MVOQYQCFNLZUFQ-UHFFFAOYSA-N
-rxn:5:190337:227100:227546,COC(=O)c1cccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3c(C)cc(C4CC4)cc3F)c2OC)c1F,AAGGIIBFGBKATR-UHFFFAOYSA-N
-rxn:5:190418:223058:223421,CNC(C)c1ccc(-c2ccc(N3C(=O)CC(Cc4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc4)C3=O)c(C)c2)s1,GUTFAOFNJHZZKE-UHFFFAOYSA-N
-rxn:5:190459:225395:226350,COC(=O)c1c(C)ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cc(C4CC4)cc(C(C)(C)C)c3)CCS2)c1C,APLYEBKJKBNANJ-UHFFFAOYSA-N
-rxn:5:190484:223141:228965,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,DAJBKHXXODIUPF-UHFFFAOYSA-N
-rxn:5:190484:223147:223312,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,AUSGUPMCDSGLFC-UHFFFAOYSA-N
-rxn:5:190484:226068:228918,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C(F)F)S(=O)(=O)CC2)c1,MZWVZOOJCHEGGA-UHFFFAOYSA-N
-rxn:5:190484:226324:225943,O=C(c1cccc(-c2cccnc2OC2CCCC2)c1)N1CCC(c2ccccc2-c2ccc(C(=O)N3CCOCC3)s2)S(=O)(=O)CC1,HUTZDDRDPGQDHF-UHFFFAOYSA-N
-rxn:5:190484:226926:228721,Cc1cc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccnn3C(C)(C)C)S(=O)(=O)CC2)c1,ZNLURMQFAUWCQF-UHFFFAOYSA-N
-rxn:5:190484:227311:227084,CCC(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4C)S(=O)(=O)CC3)c2)cn1,SFQFMOGXZLLCOR-UHFFFAOYSA-N
-rxn:5:190484:227899:227313,CCC#Cc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)CC)ncc4F)S(=O)(=O)CC3)c2)c1,ZBEUHJLJEWLMLU-UHFFFAOYSA-N
-rxn:5:190711:223062:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2n1C,PNQLIBDKMIETKH-UHFFFAOYSA-N
-rxn:5:190712:225938:222960,CCOC(=O)c1c(-c2cc(C(F)(F)F)ncc2C2CC2)c2cc(-c3cc(C)cc(C4CCNCC4)c3)ccc2n1C,ZBUJMNCRAXWAPK-UHFFFAOYSA-N
-rxn:5:190740:223006:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(F)c(C4CCNCC4)c3)cc2c1-c1cc(N2CCCCC2)ncc1F,RBLJYZOPNPAKOF-UHFFFAOYSA-N
-rxn:5:190740:223056:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cc(N2CCOCC2)ncc1F,MCYJJBOPFNRMFH-UHFFFAOYSA-N
-rxn:5:190740:225982:225976,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,WDIVRXPFFJXTSX-UHFFFAOYSA-N
-rxn:5:190741:225982:225834,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,LOZOXUPIKNOZQD-UHFFFAOYSA-N
-rxn:5:190742:223056:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(CN2CCOCC2)nc1,RRWRVCVNGKGJOF-UHFFFAOYSA-N
-rxn:5:190742:223064:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cc(N2CCCCC2)ncc1F,AMEXTUPYCCQGRT-UHFFFAOYSA-N
-rxn:5:190743:223063:225784,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(CN2CCOCC2)nc1,GWNXIFKDPSJZNI-UHFFFAOYSA-N
-rxn:5:190743:223065:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,FQYFRKWMVOPHNR-UHFFFAOYSA-N
-rxn:5:190743:225976:225978,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCOCC2)nc1F,AJJNTELNXLXANN-UHFFFAOYSA-N
-rxn:5:190744:223062:223062,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,QOBRBOBEZGTUTI-UHFFFAOYSA-N
-rxn:5:190744:225834:225982,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,FXCBURNQCFCIKM-UHFFFAOYSA-N
-rxn:5:190744:225982:225881,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCOCC2)nc1F,HCVDTXDRQDRTSM-UHFFFAOYSA-N
-rxn:5:190797:223018:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc3c2ccn3C(=O)OC(C)(C)C)c1,NMHNENXSCOCJIG-UHFFFAOYSA-N
-rxn:5:190798:225454:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)c(-c1ccc(C3=CCN(C)CC3)cc1)cn2C(=O)OC(C)(C)C,YCEVKTAYXIXASH-UHFFFAOYSA-N
-rxn:5:190833:225786:225507,COC(=O)C1CCc2cc(-c3ccc(-c4ccc(Cn5cccn5)c(F)c4)c4c3CN(C(=O)OC(C)(C)C)C4=O)ccc21,SLTQWFMXQCZIDS-UHFFFAOYSA-N
-rxn:5:190833:226085:227908,CC(C)Cc1ncccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c2c1CN(C(=O)OC(C)(C)C)C2=O,BFVXIEWBNOXJRU-UHFFFAOYSA-N
-rxn:5:190833:226085:228591,CC(C)c1cnccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c2c1CN(C(=O)OC(C)(C)C)C2=O,PEHHYCJDSTZMHI-UHFFFAOYSA-N
-rxn:5:190833:227048:227953,Cc1cc(N(C)C)ccc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,RUWNHSDDCJRMGY-UHFFFAOYSA-N
-rxn:5:190833:227946:227048,CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)nc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc1,ACOWYPHPKHMNRH-UHFFFAOYSA-N
-rxn:5:190859:225812:226142,Cc1cc(-c2ccc3c(c2-c2cccc(OC4CCCC4)c2)CCN3C(=O)OC(C)(C)C)c(F)c(OC(C)C)c1F,XGAFNOURQOIAQE-UHFFFAOYSA-N
-rxn:5:190998:227935:226341,CCc1cc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)C)c(F)cc4OC)cc2C(=O)OC)C(=O)CO3)ccc1OC,RHHXUIBHQSYCFP-UHFFFAOYSA-N
-rxn:5:191026:225499:228553,CCSc1ccc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccc(C6CCCCC6)cc5F)cc43)ccc2C)cc1,YEQZOKKORGTGLC-UHFFFAOYSA-N
-rxn:5:191026:227831:226910,CCc1c(C)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)CC)cc4)c2)C=C(C(=O)OC)S3(=O)=O)cc1C,XJYIKYVFUFZMRO-UHFFFAOYSA-N
-rxn:5:191026:227932:226920,COCc1ccc(C)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,MQEVSHCLNCOQPZ-UHFFFAOYSA-N
-rxn:5:191026:228547:226058,CCCc1ccncc1-c1ccc2c(c1)N(c1ccc(C)c(-c3c(C(C)C)cccc3C(C)C)c1)C=C(C(=O)OC)S2(=O)=O,CREYIIWFPSDQOL-UHFFFAOYSA-N
-rxn:5:191026:228562:227287,CCC(C)c1csc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)C)nc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,SZIJSJWNSVFGOV-UHFFFAOYSA-N
-rxn:5:191049:223062:226645,COc1cc(N2Cc3cc(-c4cnc(C5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCOCC2)c1,AETPHNBMZYIFNE-UHFFFAOYSA-N
-rxn:5:191049:226794:225980,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,QGUWFOGGISKEFG-UHFFFAOYSA-N
-rxn:5:192561:225931:225634,Cc1cc(-c2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2C(=O)N2CCC2)cc(S(=O)(=O)N(C)C)c1,ZPQDJAIPKZIGQM-UHFFFAOYSA-N
-rxn:5:192563:225987:225633,O=C(c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)cc(-c2ccc(N3CCCCCC3)nc2)c1)N1CCC1,LJNYKOOJZKPQJD-UHFFFAOYSA-N
-rxn:5:192563:225987:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCC4)cc(-c4ccc(N5CCCS5(=O)=O)cc4)c3)c2)CC1,HBOBDSADTNVAMS-UHFFFAOYSA-N
-rxn:5:192565:225986:225613,N#CC1(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(OC3CCCCC3)c2)CCC1,HCDJXMIUWOLWPX-UHFFFAOYSA-N
-rxn:5:192567:225652:225679,CC1CCCN(c2cncc(-c3ccc(-c4ccc(N5CCCCC5)cc4F)c(C4(C#N)CCC4)c3)c2)C1,SWFIGXMBEXZVOR-UHFFFAOYSA-N
-rxn:5:193225:222990:225935,CC(C)c1cc(-c2ccc(-c3ccc(N4CCC(O)CC4)cc3)cc2C(=O)N2CCOCC2)cc(C(F)(F)F)n1,QTLCNUAHSCZIHE-UHFFFAOYSA-N
-rxn:5:193226:225849:227379,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cccnc2N2CCCC2)c1)N1CCOCC1,AHSNPZNDHHDCMB-UHFFFAOYSA-N
-rxn:5:193226:225980:223065,O=C(c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCOCC1,MLUJYRNVPOKESC-UHFFFAOYSA-N
-rxn:5:193229:223062:226645,O=C(c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,KXBBXSBSQUYTQW-UHFFFAOYSA-N
-rxn:5:193229:225655:225976,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3ccnc(N4CCOCC4)c3F)c2)CC1,PITGNPZHHLWEJV-UHFFFAOYSA-N
-rxn:5:193382:222421:223054,CC(c1ccc(-c2cc(-c3cncc(S(N)(=O)=O)c3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,DZNNPCBNFVVTAN-UHFFFAOYSA-N
-rxn:5:193382:222960:225925,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(S(=O)(=O)N(C)C)ccc3C)c2)cc(C2CCNCC2)c1,PRHZQMFWKCSCEJ-UHFFFAOYSA-N
-rxn:5:193382:222996:223058,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1cc(F)nc(C2CCCNC2)c1)N1CCOCC1,WBBDACLPPZEBSJ-UHFFFAOYSA-N
-rxn:5:193382:223001:223137,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,JYRYZECERZIMJK-UHFFFAOYSA-N
-rxn:5:193382:223002:223002,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,FDGMDWVHEWYEJB-UHFFFAOYSA-N
-rxn:5:193382:223062:223062,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,QFMQMZAPSIXPFH-UHFFFAOYSA-N
-rxn:5:193382:223063:226447,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1ccnc(C2CCOCC2)c1)N1CCOCC1,CGUWUYRNZMEFGQ-UHFFFAOYSA-N
-rxn:5:193382:223065:223378,O=S(=O)(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc2c(c1)NCCO2)N1CCOCC1,MFIZCIKHNUQOKY-UHFFFAOYSA-N
-rxn:5:193382:223133:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCNCC3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,HMTIZGAWPIZCKO-UHFFFAOYSA-N
-rxn:5:193382:223201:225607,CC(c1ccc(-c2cc(-c3ccccc3C3CCNC3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCCC1,MGTGYJSKUNPXHD-UHFFFAOYSA-N
-rxn:5:193382:223242:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(C3CCNC3)c2)ccc1S(=O)(=O)N1CCOCC1,YLDQRBVRSIRBJW-UHFFFAOYSA-N
-rxn:5:193382:223295:223056,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)c1,CTGGSDQQVCQSCM-UHFFFAOYSA-N
-rxn:5:193382:225638:227438,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(C5CCOC5)c4)c3)cn2)CC1,HGMFTZIYWINAOA-UHFFFAOYSA-N
-rxn:5:193382:225640:222998,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)ccn1,RMPUVQSETWMQCX-UHFFFAOYSA-N
-rxn:5:193382:225640:225980,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)ncc3F)c2)ccn1,HTDXIDPECUEACU-UHFFFAOYSA-N
-rxn:5:193382:225831:223139,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)cnc1N1CCOCC1,GVYQIJYLVLRSDD-UHFFFAOYSA-N
-rxn:5:193382:225868:223201,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1ccccc1C1CCNC1)N1CCOCC1,WRUOSORBPYTREG-UHFFFAOYSA-N
-rxn:5:193382:226366:226649,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,DGPNUHVGTUYTRI-UHFFFAOYSA-N
-rxn:5:193382:226649:223063,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CCOCC1,RWXDVLOCFWSJPF-UHFFFAOYSA-N
-rxn:5:193382:226662:227438,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(C5CCOC5)c4)c3)s2)CC1,FWSYCICQJMTEBH-UHFFFAOYSA-N
-rxn:5:193462:226062:226062,CC(C)c1cc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(CN3CCC(=O)CC3)c2)cc(C(C)C)c1,NJRZBUGSGBHEJM-UHFFFAOYSA-N
-rxn:5:193468:225634:226742,Cc1cc(-c2cccc(-c3ccc(C#N)cc3C(F)(F)F)c2C(=O)N2CCC[C@@H]2C)cnc1N1CCCCC1,ZVWVWAXVLPFGNL-NRFANRHFSA-N
-rxn:5:193469:225597:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(OC3CCCCC3)nc2)ccc1C(=O)N1CCC[C@H]1C,AKSONYMTPXVWTF-RUZDIDTESA-N
-rxn:5:193506:223065:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,NOJNQSUXAORZIS-UHFFFAOYSA-N
-rxn:5:193506:223138:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,KASZUEMILCUHEF-UHFFFAOYSA-N
-rxn:5:193506:223139:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,QJBKZURKABAOTA-UHFFFAOYSA-N
-rxn:5:193506:223139:228677,CC(C)Cn1cc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,JIAAPFKJYPXMOQ-UHFFFAOYSA-N
-rxn:5:193506:223287:223138,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)cc1,FCRWYLPPACDMHJ-UHFFFAOYSA-N
-rxn:5:193506:223294:228009,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2ccc(C3CC3)c(F)c2)CC1,REAKPGMXSJESBR-UHFFFAOYSA-N
-rxn:5:193506:223294:228013,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2ccc(F)c(C3CC3)c2)CC1,YXPHQDRADINGGD-UHFFFAOYSA-N
-rxn:5:193506:223378:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)NCCO4)cc2-c2cccc(N3CCNCC3)c2)CC1,WXDGHWMNAANZIM-UHFFFAOYSA-N
-rxn:5:193506:225666:223342,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2ccc3c(c2)OCCN3)CC1,YQBKFKOEZABPNJ-UHFFFAOYSA-N
-rxn:5:193506:225833:223345,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc3c2NC(=O)C3)CC1,YLNCMFAGWWBYTM-UHFFFAOYSA-N
-rxn:5:193506:225833:228628,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cc(C3CCC3)cs2)CC1,KHNOEDMMDBECQI-UHFFFAOYSA-N
-rxn:5:193506:225833:228965,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc([N+](=O)[O-])nc2)CC1,OVGPCHAXZBXWMZ-UHFFFAOYSA-N
-rxn:5:193506:225833:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2csc(C3CC3)n2)CC1,CTYGZFGWLIMRLP-UHFFFAOYSA-N
-rxn:5:193506:225834:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2ccc(C3CC3)s2)CC1,CKSNBDDWNXZRQO-UHFFFAOYSA-N
-rxn:5:193506:225834:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2csc(C3CC3)n2)CC1,DTDBZGPYBNYUKD-UHFFFAOYSA-N
-rxn:5:193506:225849:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,MUWAFDGUDWBVCC-UHFFFAOYSA-N
-rxn:5:193506:225986:226665,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnc(C3CCCOC3)nc2)CC1,AKKHGGNFNUKALR-UHFFFAOYSA-N
-rxn:5:193506:226643:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccc(N3CCOCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ALKBAHZNCHHXMU-UHFFFAOYSA-N
-rxn:5:193506:226661:223311,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cccc(C5CNC5)c4)c3)c2)CC1,RRNPCRCMDQYUMV-UHFFFAOYSA-N
-rxn:5:193506:226664:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2csc(N3CCNCC3)n2)CC1,PSUCERGZNZKJQK-UHFFFAOYSA-N
-rxn:5:193506:226794:223439,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cc(C(F)(F)F)[nH]n2)CC1,VYOILUICQXMUTE-UHFFFAOYSA-N
-rxn:5:193506:227091:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCCC4)c3)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,OGPMKPUAUBUPDM-UHFFFAOYSA-N
-rxn:5:193506:227403:228214,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cnc(C3CC3)cc2F)CC1,ZROJUXUSHPRRCB-UHFFFAOYSA-N
-rxn:5:193506:227413:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2cc(N3CCCC3)cs2)CC1,QMLFRRMFMJEUQG-UHFFFAOYSA-N
-rxn:5:193506:227438:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,JEIPIOLYRUBNNK-UHFFFAOYSA-N
-rxn:5:193506:227901:223147,CC(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNCCO4)cc3)c2)cn1,NAXLOFNIHDCLPJ-UHFFFAOYSA-N
-rxn:5:193506:228218:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ncc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,IFTKZHWJPLPLAB-UHFFFAOYSA-N
-rxn:5:193506:228223:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2csc(N3CCNCC3)n2)CC1,BVEOJBNPTOFADM-UHFFFAOYSA-N
-rxn:5:193506:228868:222958,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)s1,FAHOKCPRSPRPJT-UHFFFAOYSA-N
-rxn:5:193506:229009:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cs3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,PMQVBSMMTRHHPL-UHFFFAOYSA-N
-rxn:5:193506:229011:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)s3)cc2-c2ccnc(N3CCCCC3)c2F)CC1,NBJFKQHUQYXLOI-UHFFFAOYSA-N
-rxn:5:193506:229011:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)s3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,NZMHCFMFIWFZHH-UHFFFAOYSA-N
-rxn:5:193506:229013:225834,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2-c2cc(N3CCCCC3)ncc2F)CC1,LSVLVIGGPLCJCU-UHFFFAOYSA-N
-rxn:5:193506:229016:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccsc3C3CC3)cc2-c2ccnc(N3CCCCC3)c2F)CC1,SFJHAKIIYAGJCJ-UHFFFAOYSA-N
-rxn:5:193537:225925:223140,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1c(CN2CCCCC2)cccc1-c1ccnc(C2CCCNC2)c1,UZIMEKCVGRKZKB-UHFFFAOYSA-N
-rxn:5:193681:223173:226395,CN1CCC(Oc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cncc(N3CCCCC3)c2)CC1,GQUFYTNOEJBIAN-UHFFFAOYSA-N
-rxn:5:193711:225884:222956,Cc1ccc(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4ccc(C5COCCO5)c(F)c4)cc3)C2=O)c(C2CCCNC2)c1,VHUWNZJDGRVJBX-UHFFFAOYSA-N
-rxn:5:193748:227738:225928,Cc1cnc(C(F)(F)F)cc1-c1ccc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c(C(=O)N2CCCC(C)C2)c1,PUIVAYILBLWVEW-UHFFFAOYSA-N
-rxn:5:193749:227375:226174,CC1CCCCN1C(=O)c1cc(-c2ccc(N3CCCC3)nc2)ccc1-c1ccc(C2CCCCC2)nc1,OHBJCENJAGFJAW-UHFFFAOYSA-N
-rxn:5:193752:225834:223388,CC1CCCN(C(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)c(-c3ccc(S(=O)(=O)O)cc3)c2)C1,BWTJYLKZOAPXSH-UHFFFAOYSA-N
-rxn:5:193753:227706:225811,COc1cnc(C(F)F)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2)c1,OSYJQNMAUYUUSO-UHFFFAOYSA-N
-rxn:5:193756:225591:225636,CC1CCN(c2cc(-c3cc(-c4cc(CN5CCCC5)ccc4F)ccc3C(=O)N3CCCCC3C)ccn2)CC1,UDANSAJWIZXRSG-UHFFFAOYSA-N
-rxn:5:193756:225671:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cc(C3CCCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,RLJPHLMANKHFPJ-UHFFFAOYSA-N
-rxn:5:193756:225819:225808,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(OC2CCCC2)ncc1F,VVBFMIRILLDDFA-UHFFFAOYSA-N
-rxn:5:193756:225940:225834,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1-c1cc(N2CCCCC2)ncc1F,ZFKGQLQDBUHFKQ-UHFFFAOYSA-N
-rxn:5:193756:226611:225652,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncc(N3CCCC(C)C3)c2)c1,VFUOLJYXWOGXFU-UHFFFAOYSA-N
-rxn:5:193756:226842:225591,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1cc(CN2CCCC2)ccc1F,DTHSSTRMEXRDJF-UHFFFAOYSA-N
-rxn:5:193756:226844:225808,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cc(OC2CCCC2)ncc1F,SYBKYZHSRSGZSR-UHFFFAOYSA-N
-rxn:5:193756:227408:225819,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cc(C(F)(F)F)ccc1C1CC1,JLVIGSGTVWODQL-UHFFFAOYSA-N
-rxn:5:193809:223061:227710,CC1CCN(Cc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2-c2ccc(OS(C)(=O)=O)cc2)CC1,PCUBWBJBNYKHRH-UHFFFAOYSA-N
-rxn:5:193866:222404:228563,CC(C)Cc1csc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)c1,UXKUYUHFMZIOPZ-UHFFFAOYSA-N
-rxn:5:193866:227312:227591,CCC(C)c1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C(F)F)cc2OC)c(F)n1,LBMYMJRRUNDEMW-UHFFFAOYSA-N
-rxn:5:193866:227807:226059,CC(C)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc3c2CCCC3)c(C(C)C)c1,ZWGIKAGRIGNJFH-UHFFFAOYSA-N
-rxn:5:193869:223252:227458,Cc1cc(-c2cc(F)c3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc2c(c1)OCCN2C,XBUDDFXVFPSWNW-UHFFFAOYSA-N
-rxn:5:193869:225454:228701,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,SBNZMVKMCKPNIO-UHFFFAOYSA-N
-rxn:5:193869:225636:228888,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)ncc1F,LSUSSSBWAYPEOQ-UHFFFAOYSA-N
-rxn:5:193869:225833:229057,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,PLXGTURGNOPORH-UHFFFAOYSA-N
-rxn:5:193869:226882:228243,CC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C(F)(F)F)c(F)c3F)cc2C)c1F,XPMZKZQDHASNRZ-UHFFFAOYSA-N
-rxn:5:193869:228577:226662,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCC2)c1,RATGYOBTESOLTM-UHFFFAOYSA-N
-rxn:5:193870:222420:223139,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccccc1S(N)(=O)=O,CCWULAKSFZCMRU-UHFFFAOYSA-N
-rxn:5:193870:223133:227677,Cc1ccc(C(F)(F)F)c(-c2cc(-c3ccccc3N3CCNCC3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,XVESUUVHCJYSRU-UHFFFAOYSA-N
-rxn:5:193870:223146:223311,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNC3)c2)cc1-c1cccc(C2CNCCO2)c1,WVDMDVLYFZZODQ-UHFFFAOYSA-N
-rxn:5:193870:223147:223312,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CNC3)cc2)cc1-c1ccc(C2CNCCO2)cc1,YTRNBNDDWHAXKJ-UHFFFAOYSA-N
-rxn:5:193870:223148:222418,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(S(N)(=O)=O)cc2)cc1-c1ccccc1C1CNCCO1,SVKXGSQDJNIFDY-UHFFFAOYSA-N
-rxn:5:193870:223240:227506,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1ccc(C2CCNC2)nc1,YADJCGHFYLEGRB-RVDMUPIBSA-N
-rxn:5:193870:223342:223061,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc2c(c1)OCCN2,WHXGQOMYVMWBGX-UHFFFAOYSA-N
-rxn:5:193870:225834:228991,CCCc1sccc1-c1cc(-c2cc(N3CCCCC3)ncc2F)c(C)cc1S(=O)(=O)N1CCCCC1,IUYRDJIBLNXGSR-UHFFFAOYSA-N
-rxn:5:193870:225849:223340,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)NCCO3)cc1-c1cnc(N2CCCCC2)cc1F,SRLDSMRXRSNDGC-UHFFFAOYSA-N
-rxn:5:193870:225870:223378,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)NCCO3)cc1-c1cc(F)cc(N2CCOCC2)c1,QYNRJVLHBNCCPI-UHFFFAOYSA-N
-rxn:5:193870:228701:223065,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc(C2CC2)nc1,PWAFCMHTKDTEBP-UHFFFAOYSA-N
-rxn:5:193870:228701:225454,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1-c1cnc(C2CC2)nc1,WMPAHTVDVHQRAZ-UHFFFAOYSA-N
-rxn:5:193870:229057:225833,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2F)cc1-c1cnn(C2CC2)c1,ZNOFXMRLUBGOII-UHFFFAOYSA-N
-rxn:5:193870:229057:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1cnn(C2CC2)c1,IREHVINETYLWJD-UHFFFAOYSA-N
-rxn:5:193872:222980:223164,O=C(c1ccc(-c2ccc(CN3CCNCC3)cc2)c(-c2cc(F)c(F)c(NC3CC3)c2)c1)N1CCC2(CC1)CC2,JORIBPLRXZYWEX-UHFFFAOYSA-N
-rxn:5:193892:226139:226583,O=C1CSC(c2ccc(-c3ccc(CN4CCOCC4)s3)cc2)C(=O)N1c1ccc(-c2cc(C3CC3)cnc2C2CC2)cc1,XRFHNHWCYRFXQY-UHFFFAOYSA-N
-rxn:5:193968:225804:223259,CC(=O)Nc1cc(C)c(-c2ccc(-c3ccc(C(=O)N4CCC4)c(F)c3)cc2CN2CCC3(CC2)OCCO3)cn1,MABGHRQEVOFEFV-UHFFFAOYSA-N
-rxn:5:193968:226046:227746,Fc1c(-c2ccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)cc2CN2CCC3(CC2)OCCO3)cccc1C(F)(F)F,QFJAKMMVAHRRNM-UHFFFAOYSA-N
-rxn:5:193972:222419:225805,Cc1cc(-c2cccc(S(N)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(C)N2CCOCC2)s1,OYCULIXCAOMEBY-UHFFFAOYSA-N
-rxn:5:193972:222420:223148,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,PETJOIJOQLQOKD-UHFFFAOYSA-N
-rxn:5:193972:223252:226679,Cc1cc(-c2cc(F)c3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,DEFPIYAHOIDBAL-UHFFFAOYSA-N
-rxn:5:193972:225833:223204,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc2cc(C#N)ccc2[nH]1,VOSUOBALUHZJHU-UHFFFAOYSA-N
-rxn:5:193972:225833:223205,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc2c(C#N)cccc2[nH]1,VFKUZCREFROBGW-UHFFFAOYSA-N
-rxn:5:193972:228719:227403,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,SXSQXADLCYLTAB-UHFFFAOYSA-N
-rxn:5:193972:229229:225849,Cc1cc(-c2cscc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,ZJLYPGSAZZECOS-UHFFFAOYSA-N
-rxn:5:193972:229231:225454,CCc1ncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)s1,HKRGOZJEHSPNHN-UHFFFAOYSA-N
-rxn:5:194058:222959:225607,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)ccc1C1CCNCC1,CMXZGXZBGUCAMK-UHFFFAOYSA-M
-rxn:5:194058:222960:225607,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCNCC2)c1,JBQYRXIHDCHNPB-UHFFFAOYSA-M
-rxn:5:194058:223002:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCCCC1,SDKFUKQOPBZFFA-UHFFFAOYSA-M
-rxn:5:194058:223006:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCCCC1,XOKBURZMFRVIPL-UHFFFAOYSA-M
-rxn:5:194058:223054:223007,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCC(O)C1,FYPFYMNVFFVCIL-UHFFFAOYSA-M
-rxn:5:194058:223054:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCC(O)C1,MMADHZYDEPANJF-UHFFFAOYSA-M
-rxn:5:194058:223054:225638,CC1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)cn2)CC1,KEAZOZXUESEYMZ-UHFFFAOYSA-M
-rxn:5:194058:223054:225978,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCC(O)C1,XOLJZLBVCYDZDH-UHFFFAOYSA-M
-rxn:5:194058:223061:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCCCC1,JNDCDIWGLQQCAD-UHFFFAOYSA-M
-rxn:5:194058:225461:225607,Cc1cc(N2CCCCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCCCC2)s1,PSBJWSUZEDBBAL-UHFFFAOYSA-M
-rxn:5:194058:225469:225607,CC1CCCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)cc2)C1,HPBCFJOUIFQWPP-UHFFFAOYSA-M
-rxn:5:194058:225607:222958,Cc1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc1C1CCNCC1,AGUGAVBIVDZALS-UHFFFAOYSA-M
-rxn:5:194058:225607:222959,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)ccc1C1CCNCC1,PSVKLCZOOGYLNE-UHFFFAOYSA-M
-rxn:5:194058:225607:222960,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCNCC2)c1,DXJMXGZFDLCVRS-UHFFFAOYSA-M
-rxn:5:194058:225607:223006,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCCCC1,JQCGXUSUFAIECB-UHFFFAOYSA-M
-rxn:5:194058:225607:223007,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCCCC1,NFNUYWBDYPGZEN-UHFFFAOYSA-M
-rxn:5:194058:225607:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCCCC1,SQRSGDJWSFKHPQ-UHFFFAOYSA-M
-rxn:5:194058:225607:223064,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCCCC1,DPVJJRJILWWTRL-UHFFFAOYSA-M
-rxn:5:194058:225607:225636,CC1CCN(c2cc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)ccn2)CC1,NTLIVJRRATURTN-UHFFFAOYSA-M
-rxn:5:194058:225607:225638,CC1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)cn2)CC1,GJYXFYKXVKDETB-UHFFFAOYSA-M
-rxn:5:194058:225607:225652,CC1CCCN(c2cncc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)C1,NGBKPTFQVZHSCN-UHFFFAOYSA-M
-rxn:5:194058:225607:225656,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cncc(N3CCCCC3C)c2)s1)N1CCCCC1,NANAKXUMFNFYGY-UHFFFAOYSA-M
-rxn:5:194058:225607:225868,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)c(F)c2)s1)N1CCCCC1,ZIRQZSSVQMDFOW-UHFFFAOYSA-M
-rxn:5:194058:225607:225870,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCCCC1,MJYUNZLLAKENPX-UHFFFAOYSA-M
-rxn:5:194058:225607:225976,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCCCC1,ACOJCAHRDISUEW-UHFFFAOYSA-M
-rxn:5:194058:225607:225982,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCCC1,KGUMADPAFBGWDB-UHFFFAOYSA-M
-rxn:5:194058:225633:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCCC3)nc2)s1)N1CCC(O)C1,ZPLSQXPASXKVGI-UHFFFAOYSA-M
-rxn:5:194058:225636:223054,CC1CCN(c2cc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)ccn2)CC1,WFLXKEUBYTXLFM-UHFFFAOYSA-M
-rxn:5:194058:225636:225805,CC1CCN(c2cc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)ccn2)CC1,APSCDIIZCJCADN-UHFFFAOYSA-M
-rxn:5:194058:225638:225805,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)cn2)CC1,GGOSVMKNNWVCHE-UHFFFAOYSA-M
-rxn:5:194058:225639:225607,CC1CCN(c2ncccc2-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)CC1,MNQQLDJHUNMBGP-UHFFFAOYSA-M
-rxn:5:194058:225641:225607,CC1CCCN(c2cc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)ccn2)C1,HIEBNUAEJMVYHA-UHFFFAOYSA-M
-rxn:5:194058:225652:225607,CC1CCCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)C1,XAKOVYSYCKMBFI-UHFFFAOYSA-M
-rxn:5:194058:225654:225607,CC1CCCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)cn2)C1,ZMDQRJPGXOYNMK-UHFFFAOYSA-M
-rxn:5:194058:225805:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCOCC1,OEWVJYLSRIPRCT-UHFFFAOYSA-M
-rxn:5:194058:225805:225636,CC1CCN(c2cc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCOCC4)s3)ccn2)CC1,QLMFLFFBCUNDSU-UHFFFAOYSA-M
-rxn:5:194058:225805:225638,CC1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCOCC4)s3)cn2)CC1,TZQPIQHXTPMSAX-UHFFFAOYSA-M
-rxn:5:194058:225805:225978,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCOCC1,PFSDIFIWYCWCQM-UHFFFAOYSA-M
-rxn:5:194058:225805:225980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCOCC1,ZHKXEICVFJNLRH-UHFFFAOYSA-M
-rxn:5:194058:225833:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCOCC1,AZDMNOILJKLALT-UHFFFAOYSA-M
-rxn:5:194058:225849:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCOCC1,VEHAFEDSUUFOAZ-UHFFFAOYSA-M
-rxn:5:194058:225976:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCCCC1,QANXYUMTWJFVAD-UHFFFAOYSA-M
-rxn:5:194058:225978:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCCCC1,VETLHAAGBBDOPK-UHFFFAOYSA-M
-rxn:5:194058:225982:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCCC1,OZYFPINPYMXUDT-UHFFFAOYSA-M
-rxn:5:194058:226426:225607,CC1CCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)s2)CC1,VHDAHZASCKWTQH-UHFFFAOYSA-M
-rxn:5:194058:226427:225607,CC1CCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,YCCJQVVOFBAPOE-UHFFFAOYSA-M
-rxn:5:194561:227185:223192,CNS(=O)(=O)c1cc(-c2ccc(-c3ccc4c(c3)N(C)CCO4)cc2C(=O)N2C3CCC2COC3)ccc1F,NWDSVHUATLJUON-UHFFFAOYSA-N
-rxn:5:194575:226757:225833,Cc1cc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4ccnc(N5CCCCC5)c4F)cc3C2)ccc1OC(F)(F)F,OWIBWKXSASZKDB-UHFFFAOYSA-N
-rxn:5:194661:225943:225655,CC1CCN(c2cncc(-c3ccc4c(c3)CN(Cc3ccc(-c5ccc(C(=O)N6CCOCC6)s5)cc3)C(=O)CO4)c2)CC1,VDBLQQCXDOSLSS-UHFFFAOYSA-N
-rxn:5:194688:225980:223141,COc1cc(-c2cncc(C3CCNCC3)c2)cc2c1OCC(=O)N(c1ccc(-c3cc(N4CCOCC4)ncc3F)cc1)C2,GZWBMGCYSLKGFR-UHFFFAOYSA-N
-rxn:5:194733:228065:222957,Cc1cc(-c2ccc(-c3ccc4onc(C)c4c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCCNC2)c1,YJBFAAJXYMTNFE-UHFFFAOYSA-N
-rxn:5:194733:228974:228275,COc1c(F)cc(C)cc1-c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,BCILIWIERYONKE-UHFFFAOYSA-N
-rxn:5:194767:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,PHFPSOVWEIADER-UHFFFAOYSA-N
-rxn:5:194767:227352:226131,COC(=O)c1ccc(C)cc1-c1ccc(-c2ccccc2CN2CCCC2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,RTTFMJXMFWRUCS-UHFFFAOYSA-N
-rxn:5:194767:227426:225870,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(C5CCCO5)nc4)ccc3-c3cc(F)cc(N4CCOCC4)c3)C2)c2ccccc21,WDXHSTOOQINFHX-UHFFFAOYSA-N
-rxn:5:194767:228417:227301,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(F)c(C(F)F)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,ASWKHHUMQGKGMS-UHFFFAOYSA-N
-rxn:5:194786:226059:225507,COC(=O)C1CCc2cc(-c3ccc(-n4c(-c5ccc(-c6ccc(C(C)C)cc6C(C)C)cc5)cc5c4CC(C)(C)CC5=O)cc3)ccc21,KVVCQVWZXSZCAD-UHFFFAOYSA-N
-rxn:5:194786:226329:225928,Cc1ccc(-c2ccc(-n3c(-c4ccc(-c5ccc(C6(C#N)CC6)c(F)c5)cc4)cc4c3CC(C)(C)CC4=O)cc2)cc1S(=O)(=O)N(C)C,DECZHTMZMDNXTL-UHFFFAOYSA-N
-rxn:5:194791:227141:222984,N#Cc1ccc2sc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(CN7CCC(O)C7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2c1,HETHOFBEYKVAFJ-UHFFFAOYSA-N
-rxn:5:194791:227374:226840,N#Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc(-n6cccn6)cc5)C(=O)C34)cc2)cc(C(F)(F)F)n1,GHZXHJGCUDTIKH-UHFFFAOYSA-N
-rxn:5:194792:227543:223320,COC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cc(C)cc7[nH]ncc67)cc5)C(=O)C34)cc2)ccc1F,XIRVRPZHBNYTLG-UHFFFAOYSA-N
-rxn:5:196408:225638:225985,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NOCCO3)cn2)CC1,VPLVYJCLAXHPOG-UHFFFAOYSA-N
-rxn:5:196408:225986:225470,CC1CCN(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cc2)CC1,ZBGWESALRWXMBO-UHFFFAOYSA-N
-rxn:5:196618:225640:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3ccnc(N4CCCCC4C)c3)cc2N2CCCC2=O)c1,MCRMWEMFCWUERD-UHFFFAOYSA-N
-rxn:5:196789:223061:226583,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)s1,LTOMNDVNQMXEAJ-UHFFFAOYSA-N
-rxn:5:196789:225638:223173,CC1CCN(c2ccc(-c3ccc(N4CCOCC4=O)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)cn2)CC1,ATPGCAAURLWPFI-UHFFFAOYSA-N
-rxn:5:196794:227657:225934,O=C1COCCN1c1cc(-c2ccc(N3CCOCC3)s2)ccc1-c1cnc(C(F)(F)F)c(C2CC2)c1,GJLRUODYWXHKJZ-UHFFFAOYSA-N
-rxn:5:196858:225832:225884,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(C2COCCO2)c(F)c1,PEFFSDTZQCNSLI-UHFFFAOYSA-N
-rxn:5:196872:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncnc2C2CCCCC2)ccc1N1CCOCC1,ADIYSEVYOHXFIR-UHFFFAOYSA-N
-rxn:5:196873:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1cncnc1C1CCCCC1,SWUPRZKSYODVIF-UHFFFAOYSA-N
-rxn:5:196917:225655:223173,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(O)CS5(=O)=O)cc3C3=NC(C)(C)CO3)c2)CC1,ADEAHXUJIBCCIK-UHFFFAOYSA-N
-rxn:5:196917:225834:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,BOBBYYHEWXMWAU-UHFFFAOYSA-N
-rxn:5:196917:225849:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,LLLDGCKWERNMBP-UHFFFAOYSA-N
-rxn:5:196917:225849:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,LZNWGQUGDLCZAQ-UHFFFAOYSA-N
-rxn:5:196917:225985:225834,CC1(C)COC(c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DXZYPMIPMKYVIZ-UHFFFAOYSA-N
-rxn:5:196918:225679:223189,CS(=O)(=O)Nc1ccc(-c2c(-c3ccc(N4CCCCC4)cc3F)cccc2N2CCCCC2=O)c(F)c1,MGIGUZSXTWKMSN-UHFFFAOYSA-N
-rxn:5:196919:225654:223173,CC1CCCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)cn2)C1,LQZHZUBRLHBBKG-UHFFFAOYSA-N
-rxn:5:196919:225985:226179,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cncc(C3CCCCC3)c2)=N1,PDQXSXKGJDKFIU-UHFFFAOYSA-N
-rxn:5:196919:225986:225849,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnc(N3CCCCC3)cc2F)=N1,ZHINHNIVCAVQHZ-UHFFFAOYSA-N
-rxn:5:196919:225986:226679,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnc(N3CCCC3)cc2F)=N1,MVDDILQDUFXGJV-UHFFFAOYSA-N
-rxn:5:196919:225987:225849,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,TYTQMHNSWSEMIK-UHFFFAOYSA-N
-rxn:5:196919:226664:225987,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,QCLHFQAKHSXDJS-UHFFFAOYSA-N
-rxn:5:196922:223173:225870,O=C1CCCCN1c1cc(-c2cc(F)cc(N3CCOCC3)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,RCRLRROGPFZNBE-UHFFFAOYSA-N
-rxn:5:196922:225652:227803,CC1CCCN(c2cncc(-c3cc(-c4ccnn4S(=O)(=O)N(C)C)cc(N4CCCCC4=O)c3)c2)C1,MMWQLEOJZBAWSQ-UHFFFAOYSA-N
-rxn:5:196922:225879:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc(-c2ccc(N3CCOCC3)cc2F)cc(N2CCCCC2=O)c1,JPTRSFNFIRWFKP-UHFFFAOYSA-N
-rxn:5:196922:226898:223065,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(N3CCNCC3)cc2F)cc(N2CCCCC2=O)c1,GHRFTUPNEPAHMC-UHFFFAOYSA-N
-rxn:5:196923:225638:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(N2CCCCC2=O)ccc1-c1ccc(N2CCC(C)CC2)nc1,COFLABOVDIWLIK-UHFFFAOYSA-N
-rxn:5:196923:225679:223173,O=C1CCCCN1c1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,OCMIHJDUDGWYOQ-UHFFFAOYSA-N
-rxn:5:196969:225638:225985,CC1CCN(c2ccc(-c3cnc(C4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)cn2)CC1,SQDWXGAHCRUVKL-UHFFFAOYSA-N
-rxn:5:196969:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cccnc1C1CCCCC1,MARLTJJVEGPBGT-UHFFFAOYSA-N
-rxn:5:196970:225638:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCC(C)CC2)nc1,KUKSFDNAJCPEFG-UHFFFAOYSA-N
-rxn:5:196970:226425:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCCCC2C)s1,KKWKDINWDWOKLY-UHFFFAOYSA-N
-rxn:5:196970:226425:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCCCC2C)s1,GONXRQYRUPCZKB-UHFFFAOYSA-N
-rxn:5:196971:223133:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2N2CCNCC2)ncc1C1CCCCC1,WSFDLMVOURAXJG-UHFFFAOYSA-N
-rxn:5:196977:225833:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(N2CCCCC2)ccc1-c1ccnc(N2CCCCC2)c1F,MLOBURKIQWHLSK-UHFFFAOYSA-N
-rxn:5:196978:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCNC2)ccc1N1CCCCC1,SCMCFCCKEDLIQR-UHFFFAOYSA-N
-rxn:5:196978:225607:225985,CC(c1ccc(-c2ccc(N3CCCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)s1)N1CCCCC1,YEULNWDPYKFAKP-UHFFFAOYSA-N
-rxn:5:196978:225636:225931,Cc1cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)ccc2N2CCCCC2)cc(S(=O)(=O)N(C)C)c1,WPEGMPHIIMPRGF-UHFFFAOYSA-N
-rxn:5:196978:225638:225985,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)cn2)CC1,ZYUBOLSSTGSNKK-UHFFFAOYSA-N
-rxn:5:196979:225638:225986,CC1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)cc(N4CCCCC4)c3)cn2)CC1,UGMZKBMDTDOWIY-UHFFFAOYSA-N
-rxn:5:196979:225639:225986,CC1CCN(c2ncccc2-c2cc(-c3ccccc3N3CCCS3(=O)=O)cc(N3CCCCC3)c2)CC1,YWRZDPIPPXOCPG-UHFFFAOYSA-N
-rxn:5:197169:225985:223065,N#CC1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,JTEUMNHIZPAQRB-UHFFFAOYSA-N
-rxn:5:197169:225987:223065,N#CC1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,KAOFEVOQLWCSRT-UHFFFAOYSA-N
-rxn:5:197876:223113:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CNLIVORJDPSECG-UHFFFAOYSA-N
-rxn:5:197876:225498:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,JGUUURRVFRNFJL-UHFFFAOYSA-N
-rxn:5:197876:226062:226959,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,QSSXIUGGGNQGNF-UHFFFAOYSA-N
-rxn:5:197876:226432:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PDPKWUQOAKMLOF-UHFFFAOYSA-N
-rxn:5:197876:226437:228563,CC(C)Cc1csc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WCDDVYRYKJZCDC-UHFFFAOYSA-N
-rxn:5:197876:226971:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCCOC3)S(=O)(=O)N(C(C)(C)C)C2=O,FFZSDWUUZPVONA-UHFFFAOYSA-N
-rxn:5:197876:227120:227279,CC(C)n1nc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QZWMMDLALQWCFM-UHFFFAOYSA-N
-rxn:5:197876:227412:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DKCLLAVPTNRLKF-UHFFFAOYSA-N
-rxn:5:197876:227826:223113,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LJFLINCRZYKMTL-UHFFFAOYSA-N
-rxn:5:198558:225456:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4ccc(C5CCN(C)CC5)cc4)ccc32)s1)N1CCOCC1,ARDIEQBNMWSBBL-UHFFFAOYSA-N
-rxn:5:222960:194058:225607,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCNCC2)c1,JBQYRXIHDCHNPB-UHFFFAOYSA-M
-rxn:5:225454:193869:228701,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,SBNZMVKMCKPNIO-UHFFFAOYSA-N
-rxn:5:225833:193869:229057,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,PLXGTURGNOPORH-UHFFFAOYSA-N
-rxn:5:225834:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2csc(C3CC3)n2)CC1,DTDBZGPYBNYUKD-UHFFFAOYSA-N
-rxn:5:225849:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,MUWAFDGUDWBVCC-UHFFFAOYSA-N
-rxn:5:225987:196919:225849,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,TYTQMHNSWSEMIK-UHFFFAOYSA-N
-rxn:5:226427:177190:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cc(N3CCC(C)CC3)cs2)c1,IDHQCNHORGLIIK-UHFFFAOYSA-N
-rxn:5:226664:196919:225987,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,QCLHFQAKHSXDJS-UHFFFAOYSA-N
-rxn:5:226794:193506:223439,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cc(C(F)(F)F)[nH]n2)CC1,VYOILUICQXMUTE-UHFFFAOYSA-N
-rxn:5:227867:178295:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cccc3c2OCCC3)CCC(=O)CC1,YBNOLYIYJPDXCE-UHFFFAOYSA-N
-rxn:5:227906:178295:227290,CCC(C)c1ncccc1-c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,UVXHSLROTNNTIP-UHFFFAOYSA-N
-rxn:5:227910:178295:226914,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LGXWZVCWCAJBMS-UHFFFAOYSA-N
-rxn:5:227910:178295:227542,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XJWOJIJZIPXEQY-UHFFFAOYSA-N
-rxn:5:227922:178295:227352,CCc1cc(OC)ccc1-c1ccc(-c2cc(C)ccc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,HAMVUGQFCKMJID-UHFFFAOYSA-N
-rxn:5:227932:178295:227512,COCc1ccc(C)c(-c2ccc(-c3cc(C(=O)OC)ncc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MTCRJYVSGOTYIH-UHFFFAOYSA-N
-rxn:5:227941:178295:227298,COCc1cc(C)cc(-c2ccc(-c3cc(F)ccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QRJMYXZLNBCXMY-UHFFFAOYSA-N
-rxn:5:227941:178295:228002,COCc1cc(C)cc(-c2ccc(-c3sccc3C3CCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NWOIVYBRXMUWNU-UHFFFAOYSA-N
-rxn:5:227971:178295:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2cnccc2C(C)(C)C)CCC(=O)CC1,GSLNFISDKIGZOO-UHFFFAOYSA-N
-rxn:5:227977:178295:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2cc(C)c(OC)cc2C)CCC(=O)CC1,ZTPCYCKPYHSIQA-UHFFFAOYSA-N
-rxn:5:227979:178295:227058,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3OC)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,SERFFWNSTFWNQB-UHFFFAOYSA-N
-rxn:5:227983:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccccc2[Si](C)(C)C)CCC(=O)CC1,YQYPFZGLHKBNQH-UHFFFAOYSA-N
-rxn:5:227989:178295:226910,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UTMUEVUJEMFTFL-UHFFFAOYSA-N
-rxn:5:227989:178295:227364,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(OC)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ULEKUQYCDNBQMI-UHFFFAOYSA-N
-rxn:5:228000:178295:227108,COC(=O)C1(c2cc(-c3cc(C4CCC4)ccc3F)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,CDXOHXBDRAEWMX-UHFFFAOYSA-N
-rxn:5:228214:193506:227103,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2sccc2C2CCCCC2)CC1,KFRHCINQMXWYTG-UHFFFAOYSA-N
-rxn:5:228701:193870:223065,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc(C2CC2)nc1,PWAFCMHTKDTEBP-UHFFFAOYSA-N
-rxn:5:228719:193972:227403,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,SXSQXADLCYLTAB-UHFFFAOYSA-N
-rxn:5:228876:193870:226371,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2C)cc1-c1cnn(C2CC2F)c1,LQWDDFLNMGAFBD-UHFFFAOYSA-N
-rxn:4:173370:224393,FC(F)(F)COc1cc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1OCC1CC1,JTDNLKFHUJLJAE-UHFFFAOYSA-N
-rxn:4:173372:226844,O=C(c1cc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)ccn1)C(F)(F)F,MWMZLBHGQYUTJQ-UHFFFAOYSA-N
-rxn:4:173413:222679,CCOC(=O)C(Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2OC)cc1)C(C)=O,SGBQWDSFIYGTFT-UHFFFAOYSA-N
-rxn:4:173456:223866,CC(C)(C)OC(=O)CC(=O)Cc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,LOPVXQPNSOTGRK-UHFFFAOYSA-N
-rxn:4:173465:223559,COC(=O)Cc1ccc(OCc2ccccc2)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PTOXXJQBTXIPPU-UHFFFAOYSA-N
-rxn:4:173550:224267,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc(-c2ccccc2OC(F)(F)F)c1,MLYWREAXCWNCTE-UHFFFAOYSA-N
-rxn:4:173577:224059,COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1COC(=O)c1ccc(C(C)(C)C)cc1,PEWFYRNIOCOSST-UHFFFAOYSA-N
-rxn:4:173613:225271,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(OC)c(OC)cc1C(=O)OC)C2=O,NTNKDOFFLJXTAD-UHFFFAOYSA-N
-rxn:4:173636:224273,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)ccc1OC)C2=O,VKILNWONFSRTPA-UHFFFAOYSA-N
-rxn:4:173654:222971,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(NC(=O)C(C)(C)C)cc3)c1)C2=O,SYPAQLBLIVNIBS-UHFFFAOYSA-N
-rxn:4:173713:224729,COc1nccc(-c2ccc(OCC(F)(F)F)cc2OC(F)(F)F)c1C(=O)OC(C)(C)C,XZTXSIZQYPPUMT-UHFFFAOYSA-N
-rxn:4:173723:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,MZCMNOMEQWBVNN-UHFFFAOYSA-N
-rxn:4:173802:224247,CC1CCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)c2)CC1,SILUYLXZQNHKJI-UHFFFAOYSA-N
-rxn:4:173802:224680,O=C(c1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCCC1,CBGNVVGOTKHXIH-UHFFFAOYSA-N
-rxn:4:173803:224366,FC(F)(F)Oc1ccc(-c2cc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)c2)cc1OCC1CC1,MNTFROGZEITLFQ-UHFFFAOYSA-N
-rxn:4:173985:223699,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1C(=O)OC,CRCPINOLEHZRRR-UHFFFAOYSA-N
-rxn:4:174017:223973,COC(=O)c1cc(F)c(OCC(C)(F)F)cc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,YWKOXNMZOYGXRK-UHFFFAOYSA-N
-rxn:4:174039:223838,CCCOc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(OCC)c1F,CDTDVFQJCWTECB-UHFFFAOYSA-N
-rxn:4:174089:223712,CCCCc1ccc(C(=O)OC)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,MMZWHPKEBQBSFB-UHFFFAOYSA-N
-rxn:4:174130:222614,CCOC(=O)COc1cc(C)c(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c(C)c1,RMXQIAYHJZRVIB-UHFFFAOYSA-N
-rxn:4:174136:222539,CCOc1cc(OCC)c(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1C(C)=O,ZMYIQIIWEJWWBB-UHFFFAOYSA-N
-rxn:4:174286:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)CCC(=O)c4ccc(Cl)cc4)cc3)cc2)C1,ZXFPTJIGHZHNFF-UHFFFAOYSA-N
-rxn:4:174375:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OC)cc3C(C)(C)C(=O)OC)cc2)CC1,SFTHQIABSYWLHL-MXVIHJGJSA-N
-rxn:4:174406:225059,COC(=O)C1(c2ccc(-c3ccc(N4CCC(C)CC4)cc3Cl)cc2)CC(OC)(OC)C1,JRWJOADIFCZLRV-UHFFFAOYSA-N
-rxn:4:174444:224846,CCC1CCC(c2ccc(-c3cc(C(=O)OC)cc(F)c3OCC3CCCCC3)cc2)CC1,MZVOQCVUQIDLBR-UHFFFAOYSA-N
-rxn:4:174514:223836,COc1ncnc2c1cc(-c1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1)n2C(=O)OC(C)(C)C,NCZSBOFZXZDYSF-UHFFFAOYSA-N
-rxn:4:174522:224835,CC(C)[Si](C#Cc1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1)(C(C)C)C(C)C,LQHRYUIHWPWYOD-UHFFFAOYSA-N
-rxn:4:174574:224421,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)C2=O,WHAIQKOVXHFLCI-UHFFFAOYSA-N
-rxn:4:174624:224279,COc1ccc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,NJFXFELELPFQQH-UHFFFAOYSA-N
-rxn:4:174642:222769,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cccc(-c4ccc(C(=O)NC5CCCC5)c(F)c4)c2)C3=O)cc1,NRXDHEXBSXDFOE-UHFFFAOYSA-N
-rxn:4:174778:223505,COCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,UUFRBSOLPHCBPS-UHFFFAOYSA-N
-rxn:4:174794:223542,COCCOc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(F)c1F,FOLZXXCFEGGJFX-UHFFFAOYSA-N
-rxn:4:175060:223787,CCOc1c(F)cc(C(=O)OC)cc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,PUHXTQLENFIQEJ-UHFFFAOYSA-N
-rxn:4:175349:223591,CC(C)COc1ccc(C(F)(F)F)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,LXQYAAVASGRKNE-UHFFFAOYSA-N
-rxn:4:175403:223635,COc1ccc(COC(C)C)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,ZRBGCNSNUYAVIF-UHFFFAOYSA-N
-rxn:4:175703:224280,COC(=O)CC1CC(c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)C1,LRHBAYBYLFSMRE-UHFFFAOYSA-N
-rxn:4:175725:223814,CC(C)COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C(C)(F)F,JGGNGCBHCCVFTL-UHFFFAOYSA-N
-rxn:4:175729:223894,CN1CCN(CCCOc2cccc(-c3ccc(OCCC4OCCCO4)c(F)c3)c2)CC1,JEZBUTWKZWFIKR-UHFFFAOYSA-N
-rxn:4:175730:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OCCC4OCCCO4)cc3F)ccc2F)CC1,XWIXWRUSQZCZFN-UHFFFAOYSA-N
-rxn:4:175897:224313,COC(=O)c1cc(OC2CCOCC2)cc(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)c1,GMDWOLMCMPAJFO-UHFFFAOYSA-N
-rxn:4:175936:223712,COc1ccc(-c2ccc(OCC3CCCC3)c(C(C)=O)c2)cc1C12CC3CC(CC(C3)C1)C2,UJNVHAILNITCQA-UHFFFAOYSA-N
-rxn:4:176049:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(C)(F)F)c(OCC4CCOCC4)c3)cc2)CC1,YVNVVLSXJHLMAE-UHFFFAOYSA-N
-rxn:4:176050:225174,COc1cc(C2OCCCO2)c(-c2ccc(F)cc2CN2CCOCC2)c(OC)c1OC,LKOHVKDBTARLOK-UHFFFAOYSA-N
-rxn:4:176204:224725,CCOC(=O)C1=Cc2cc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)cc(OC)c2OC1,SXDZFLFEJMFOHH-UHFFFAOYSA-N
-rxn:4:176212:223829,CCOC(=O)CC1CCCc2c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3C)cccc21,QPQVCLRAWOYZHL-UHFFFAOYSA-N
-rxn:4:176269:222748,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc1)C2=O,IANBNJIYMRAEFZ-UHFFFAOYSA-N
-rxn:4:176284:222695,Cc1ccc(-c2ccccc2C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1S(=O)(=O)NC1CCCC1,INURHIQMHZZQLG-UHFFFAOYSA-N
-rxn:4:176293:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C=C4Oc5cc(OC(=O)C(C)(C)C)ccc5C4=O)cc3)cc2C)c1,FAQUIKTXQWGTEO-UHFFFAOYSA-N
-rxn:4:176293:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,QLMHXHJKOOPRQS-UHFFFAOYSA-N
-rxn:4:176293:225747,Cc1ccc(-c2ccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)cc2)n1C(=O)OC(C)(C)C,XRNBAVVNCIUCJU-UHFFFAOYSA-N
-rxn:4:176302:224720,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cn(C(=O)OC(C)(C)C)nc5C5CC5)cc4)ccc3C2=O)cc1,SFFKVMLRNPVRAT-UHFFFAOYSA-N
-rxn:4:176422:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C(F)F)cc2OC(F)(F)F)CC1,ZVBGNTBTBMSFAP-UHFFFAOYSA-N
-rxn:4:176443:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cccc(Cl)c2OC(F)(F)C(F)(F)F)CC1,JWJJRSLUPKTTFQ-UHFFFAOYSA-N
-rxn:4:177024:223559,CC(=O)CCc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1F,KHYZSCXWJVURRM-UHFFFAOYSA-N
-rxn:4:177265:223480,CCOc1ccc(CC)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,LGMIXIYAGQHOPY-UHFFFAOYSA-N
-rxn:4:177880:223503,CSc1ccccc1C(=O)c1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,ORKRERIRWANQPI-UHFFFAOYSA-N
-rxn:4:178065:223492,Cc1cc(-c2cccc(Sc3ccc(S(C)(=O)=O)cc3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,REKRKXVYQKFKHQ-UHFFFAOYSA-N
-rxn:4:178248:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C4(C(=O)OC)CCOCC4)cc3)c2)CC1,PQKOOAGFVNZDDP-UHFFFAOYSA-N
-rxn:4:178292:224421,COC(=O)C1(c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)CCC(=O)CC1,BCGHGNFWSROMAE-UHFFFAOYSA-N
-rxn:4:178327:222635,COC(=O)C1(c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)CCCCC1,KFGVNUJOPTYGNU-IBGZPJMESA-N
-rxn:4:178327:223568,COC(=O)C1(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)CCCCC1,SACDAAKELHLIAY-UHFFFAOYSA-N
-rxn:4:178334:223559,COc1c(C)cc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1C,DIAYSFYZZUFWMA-UHFFFAOYSA-N
-rxn:4:178384:225075,COC(=O)c1cc2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc2cn1,OJVZXMRHLUDQNA-UHFFFAOYSA-N
-rxn:4:178384:226508,Fc1nc(OCC2CC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KGSNUVWCLAAODW-UHFFFAOYSA-N
-rxn:4:178384:227038,COc1ccc(C(C)C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ALMIPEVADIEJJU-UHFFFAOYSA-N
-rxn:4:178384:227149,Cc1ccc2c(cnn2C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YXYOTNXOOGHLQA-UHFFFAOYSA-N
-rxn:4:178594:223138,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccnc(C2CCNCC2)c1,HLZYRUXPYFMWFR-UHFFFAOYSA-N
-rxn:4:178597:225062,Cc1cc(F)ccc1-c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccn1,LZXAPIGQCZNURF-UHFFFAOYSA-N
-rxn:4:178597:227307,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(OC(C)C)n1,HVQCVCZJCOLNML-UHFFFAOYSA-N
-rxn:4:178597:227962,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CC2)n1,BAOUBJUROZUKFB-UHFFFAOYSA-N
-rxn:4:178597:228113,CCc1nc(OC)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,WVGXXPZRHVKJNG-UHFFFAOYSA-N
-rxn:4:178597:228924,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(Cl)n1,CZAANXJRZPDREO-UHFFFAOYSA-N
-rxn:4:178597:229010,CC(C)c1csc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,BUMOMAFEKYKZDO-UHFFFAOYSA-N
-rxn:4:179927:222598,Cc1cc(-c2c(C(F)(F)F)ccc(F)c2C2OCCO2)cc(C)c1S(=O)(=O)NC1CCCC1,KVEJEEUWARSMIO-UHFFFAOYSA-N
-rxn:4:180026:223698,COc1ccc(F)c(C2OCCO2)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,JDYVOUMRNKDVCN-UHFFFAOYSA-N
-rxn:4:180414:223902,CC1CCN(CCOc2ccc(-c3ccc(SC=C4C(=O)OC(C)(C)OC4=O)cc3)cc2F)CC1,PIFUSPBASQHHQX-UHFFFAOYSA-N
-rxn:4:180639:223712,COC(=O)c1cc2c(c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c1)CCC2=O,LFOCIBNKZIKAJH-UHFFFAOYSA-N
-rxn:4:180792:225172,CCOC1CCC2(CC1)Cc1ccc(-c3cc(CN4CCOCC4)ccc3F)cc1C2=O,JTGXLRYJPKVURB-UHFFFAOYSA-N
-rxn:4:180815:224672,CCN1CCN(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c(Cl)c2)CC1,JTBUTRJOLPBDSE-UHFFFAOYSA-N
-rxn:4:181469:223492,COc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1F,KGOCMWAMJOJJOZ-UHFFFAOYSA-N
-rxn:4:182237:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C4CO4)cc4c3OCCO4)ccc2OC)CC1,GMHGVCUNXBRUJL-UHFFFAOYSA-N
-rxn:4:182283:223598,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc2c1CCCC2=O,PCFOUQZLMWGEKH-UHFFFAOYSA-N
-rxn:4:182359:224665,COC1CCC2(CC1)Oc1ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc1C2=O,AFQWMUIEISRGEN-UHFFFAOYSA-N
-rxn:4:182366:223696,CC1(C)CC(=O)c2cc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)oc2C1,AXTIPLBFSODADF-UHFFFAOYSA-N
-rxn:4:182374:222744,CC(=O)c1cc2c(cc1-c1ccccc1CNC(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,ZHPYMILRDVJPBA-UHFFFAOYSA-N
-rxn:4:182376:223093,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3C2=O)C[C@@H]1C,TZQIONLIRNJBEQ-SRNYSXGOSA-N
-rxn:4:182967:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(F)c4c3C(=O)CCO4)ccn2)CC1,BGXZAJWGJWMNQK-UHFFFAOYSA-N
-rxn:4:183269:224280,Cc1cc2c(cc1-c1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)C(C)(C)C=CC2(C)C,QSHYMWARXMGXBU-UHFFFAOYSA-N
-rxn:4:183271:223105,CNS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)cc1C,LZUZPGQNDJUDKM-UHFFFAOYSA-N
-rxn:4:183272:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)ccc1F,AWERLZOYQGTMCF-UHFFFAOYSA-N
-rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
-rxn:4:183273:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YWIOSDHJHVWCCO-UHFFFAOYSA-N
-rxn:4:183273:225896,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cc1F,XWSCFFQTPFXOSY-UHFFFAOYSA-N
-rxn:4:183274:226856,COc1cnc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,QISGTGQTEBNUEX-UHFFFAOYSA-N
-rxn:4:183505:224366,CCOC(=O)Cc1c(C#N)cc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)cc1C(F)F,FQCHPVOGYMHVSQ-UHFFFAOYSA-N
-rxn:4:183515:223670,CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,RISLFWFIJWSOJN-UHFFFAOYSA-N
-rxn:4:183545:223814,Cc1cc(OCCCCC#N)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,UNBZYMQDGGRFLR-UHFFFAOYSA-N
-rxn:4:183641:224828,CCOc1cc(OC(F)(F)F)cc(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)c1F,ZXCVHUQPOJVKJU-UHFFFAOYSA-N
-rxn:4:183732:225292,CC(C)Oc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)cc1C(F)(F)F,QXYRYQQZFRMBTJ-UHFFFAOYSA-N
-rxn:4:183755:227109,Cc1cc(Cl)c(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(OCC2CC2)c1,CGJMQDSXCDDGBY-UHFFFAOYSA-N
-rxn:4:183798:223661,COCCOc1cc(-c2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)ccc1C(=O)N1CCOCC1,YRBIVMLBJUSINK-UHFFFAOYSA-N
-rxn:4:183809:226563,COC(=O)Cc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)cc1F,DBFYRTRCYMMUIV-UHFFFAOYSA-N
-rxn:4:183815:223985,CCN(CC)Cc1ccc(OC(C)C)c(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1,MQSPQWATDIVBEH-UHFFFAOYSA-N
-rxn:4:183825:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(Cl)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,ONDILVJEYDFBNS-UHFFFAOYSA-N
-rxn:4:183829:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(F)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)c2)CC1,NDUWMJDWTGPVNM-UHFFFAOYSA-N
-rxn:4:183832:223080,CC(C)NS(=O)(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,OZMYMZONJYSPCS-UHFFFAOYSA-N
-rxn:4:183837:225220,COC(=O)C1CCN(C(=O)COc2ccc(-c3cnc(N4CCCCC4C)c(Cl)c3)cc2)CC1,BNDYSDVDKLUWMU-UHFFFAOYSA-N
-rxn:4:183873:225640,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccnc(N3CCCCC3C)c2)c1,YSWMUELXFMYINI-UHFFFAOYSA-N
-rxn:4:183874:222654,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)C1COC1,UTCWHDMSQLKHMD-UHFFFAOYSA-N
-rxn:4:183877:226021,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cc(Cl)ccc2OCC(F)(F)F)C1,LBYSOUUPIOTWDG-UHFFFAOYSA-N
-rxn:4:183880:223831,COc1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,KRXVOPAUBLEWRJ-UHFFFAOYSA-N
-rxn:4:183885:225753,COC(=O)c1cnc(C2CC2)c(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)c1,JUHNGVLIXAXTOE-UHFFFAOYSA-N
-rxn:4:183886:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)cc(C(F)(F)F)c1,IXVLXUBRRBLAPP-UHFFFAOYSA-N
-rxn:4:183894:223766,CC(C)(C)OC(=O)n1c(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)cc2cc(C#N)ccc21,SRZZRSISAXJYJD-UHFFFAOYSA-N
-rxn:4:183909:223540,COc1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,OVSQGFVCNBKCJU-UHFFFAOYSA-N
-rxn:4:183934:223070,COC(=O)C1CCN(CCCc2ccccc2-c2csc(NC(=O)OC(C)(C)C)c2)CC1,XHCSWBDJLWQFGT-UHFFFAOYSA-N
-rxn:4:183969:227477,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)ccn1,LRENEXMAOQZKGC-UHFFFAOYSA-N
-rxn:4:183985:223074,CC(C)[Si](Oc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)c(C#N)c1)(C(C)C)C(C)C,NHKUAHNEPOXBAS-UHFFFAOYSA-N
-rxn:4:183999:227371,COc1c(C)ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2F)c1OC,DTHDLKJALMTGTG-UHFFFAOYSA-N
-rxn:4:184012:222804,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(NC2CCS(=O)(=O)CC2)cc1,GBSVWQVVVWVTRL-UHFFFAOYSA-N
-rxn:4:184023:222524,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2)CC1,ZOTVJSMQIFOZGM-UHFFFAOYSA-N
-rxn:4:184027:227033,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C4CC4)c(C#N)c3)cc2F)CC1,DNJJJOYYOUZOSR-UHFFFAOYSA-N
-rxn:4:184031:223490,Cc1ccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SLOPOJDBGMDZCK-UHFFFAOYSA-N
-rxn:4:184039:222601,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(C(=O)N4CCC(COCc5ccc(Cl)cc5)CC4)c3)cccc2s1,RLWNCYXGILFHBZ-UHFFFAOYSA-N
-rxn:4:184040:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3C(=O)N3CCC(COCc4ccc(F)cc4)CC3)cc2C)CC1,NPNQBDQZWNWJDE-UHFFFAOYSA-N
-rxn:4:184070:225505,CCCCn1ncc2cc(-c3ccc(C4(C(=O)OC)CCN(C(=O)OC(C)(C)C)C4)c(C)c3)ccc21,XLAAVKMKKOZHMT-UHFFFAOYSA-N
-rxn:4:184075:225007,CCc1ccc(CN(C(=O)c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)C2CCS(=O)(=O)C2)cc1,YRRXTNBSSDYKOO-UHFFFAOYSA-N
-rxn:4:184099:226075,COc1ccc2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1,SYRGIRZZUJZBOE-UHFFFAOYSA-N
-rxn:4:184099:226216,COc1ccc2ncc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2c1,RZOYTLMZRCBOAE-UHFFFAOYSA-N
-rxn:4:184100:222848,CCc1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)cc(C2CCCNC2)n1,UNFCYCMKKNRZHO-UHFFFAOYSA-N
-rxn:4:184100:223548,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c1,YMJKDMIXARYACN-UHFFFAOYSA-N
-rxn:4:184103:223052,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3cccc(C(=O)NC(C)C)c3F)ccc21,FHFTYSPNFAJXCM-UHFFFAOYSA-N
-rxn:4:184113:223993,CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)ccc2c1=O,CLZPLRMRWXFEOH-UHFFFAOYSA-N
-rxn:4:184126:223022,COCCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCCCN2C(=O)c3ccccc3C2=O)cc1,HCJGWUDWRPMWID-UHFFFAOYSA-N
-rxn:4:184127:225173,O=C(c1ccc(-c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2C(F)(F)F)c(F)c1)N1CCCC1,GFKAZRGVYMXHEC-UHFFFAOYSA-N
-rxn:4:184141:224830,CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1,ZNAKAPRQIOAKTF-UHFFFAOYSA-N
-rxn:4:184151:224018,CCOC(=O)c1c(S(C)=O)n(C2CC2)c2c(OC)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc2c1=O,GNDHZQDIHRZJJT-UHFFFAOYSA-N
-rxn:4:184181:224421,CC(C)c1cc(C(C)C)c(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c(C(C)C)c1,BYGZSLRFAXACGT-UHFFFAOYSA-N
-rxn:4:184189:227009,CCC(C)Oc1ccccc1-c1ccc2c(CC(=O)N3CCC(C(=O)OC)CC3)c(OC)ccc2c1,KNOZTGQVZMMYKL-UHFFFAOYSA-N
-rxn:4:184309:225756,COC(=O)c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2[N+](=O)[O-])c(C(C)C)cn1,QHZFVELMJDWXPB-UHFFFAOYSA-N
-rxn:4:184337:223696,CCOC(=O)Cc1cc(C#N)cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,MPDFUOGKMRPLPT-UHFFFAOYSA-N
-rxn:4:184481:222621,CCOC(=O)c1cc(C(F)(F)F)cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c1C#N,BRIZJLJAASYUQU-UHFFFAOYSA-N
-rxn:4:184614:224251,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1OC(F)(F)F,FWJWSBPGMXHEJB-UHFFFAOYSA-N
-rxn:4:184768:224398,Cc1cc(F)c(-c2ccc(CN(C)C3CC3)c(OC(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,KXKNUCIBJZRHDN-UHFFFAOYSA-N
-rxn:4:184873:222654,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1ccc(Cl)c(C(=O)NC2CCCCC2)c1,CNMFAERYDCHNEW-UHFFFAOYSA-N
-rxn:4:184887:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)N4CCCC4)c3)cc2)CC1,WZSZGFVBRRVORX-MXVIHJGJSA-N
-rxn:4:184925:225766,CCCOc1c(F)cc(-c2ccc(C(=O)N3CCOCC3)cc2OCC(F)F)c(C)c1F,JODJEVRKBXKEQF-UHFFFAOYSA-N
-rxn:4:185002:222712,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)c(F)c1F,LYJOKBDFCVFMAK-UHFFFAOYSA-N
-rxn:4:185023:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc([N+](=O)[O-])ccc1OCCC1CCCCC1,JOCUKOZGDNJFRX-UHFFFAOYSA-N
-rxn:4:185118:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccc(S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)c1,FQKBNKRMEUGSJO-UHFFFAOYSA-N
-rxn:4:185156:223150,COC(=O)c1cc(-c2ccnc(NCCN(C)C)c2)ccc1CN1CCC(C(F)(F)F)CC1,PLJQDYUSUMGEEU-UHFFFAOYSA-N
-rxn:4:185165:226275,Cc1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1OCC(C)C,HEEXMOPAMWBFGF-UHFFFAOYSA-N
-rxn:4:185198:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(OC)CC4)c(C(=O)OC)c3)c(F)c2)CC1,WNQRFAZASBYXMJ-HZCBDIJESA-N
-rxn:4:185198:225195,COC(=O)c1cc(-c2ccc(F)c(OC3CCCCO3)c2)ccc1CN1CCC(OC)CC1,CCDKFHPSJRJKTD-UHFFFAOYSA-N
-rxn:4:185212:223743,Cc1ccc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)cc1OCCCN1CCC(C)CC1,WLKJUXGHKZOFLG-UHFFFAOYSA-N
-rxn:4:185229:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)C1,WUCLJDZWDLJPKI-UHFFFAOYSA-N
-rxn:4:185278:222694,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,FOATUUFTTLSXQX-UHFFFAOYSA-N
-rxn:4:185278:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,PEHANTOFDRKARQ-UHFFFAOYSA-N
-rxn:4:185310:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,CVITZLCCIQUFLM-UHFFFAOYSA-N
-rxn:4:185320:223666,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cc2Cl)CC1,IGUSYGRVEBWREU-UHFFFAOYSA-N
-rxn:4:185332:225384,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1)C1C=CS(=O)(=O)C1,RZQZCFFFGNYWQQ-UHFFFAOYSA-N
-rxn:4:185333:223606,Cc1cccc(CC(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)C2C=CS(=O)(=O)C2)c1,GPIYHEKVQBFWIE-UHFFFAOYSA-N
-rxn:4:185337:225009,Cc1cnc(OC2CCCCC2)c(-c2ccccc2S(=O)(=O)N2CCCC2CS(=O)(=O)c2ccccc2)c1,CQJPKYUCJDPZCA-UHFFFAOYSA-N
-rxn:4:185344:224011,COc1cc(C=C2SC(=S)N(c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)C2=O)cc(OC)c1OC,KNTCQJLKWLBHQV-UHFFFAOYSA-N
-rxn:4:185347:226473,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cccnc2OCCN(C)C)cc1OC,WWCNAWLCKWYVPR-UHFFFAOYSA-N
-rxn:4:185350:222904,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)c2)CC1,CNPAVBAUHLTYLQ-UHFFFAOYSA-N
-rxn:4:185354:224713,CCCCOc1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,UZTUZEYKEBEDJF-UHFFFAOYSA-N
-rxn:4:185355:226655,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cc(Cl)cnc3N3CCCC3)c2)CC1,MBIXOJPDMQZOSU-UHFFFAOYSA-N
-rxn:4:185376:224688,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)C1,JWJUMSSULKLQAT-UHFFFAOYSA-N
-rxn:4:185381:223935,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1,MOSBIBHIRUJKNC-UHFFFAOYSA-N
-rxn:4:185382:223888,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2C(F)(F)F)CC1,PIQWTUSCVWGLEB-UHFFFAOYSA-N
-rxn:4:185384:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,OGNORGCTVVDHCX-UHFFFAOYSA-N
-rxn:4:185386:224772,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccc(C(=O)N4CCOCC4)cc3Cl)c2)C1,VZJWLLGLQKRQNC-UHFFFAOYSA-N
-rxn:4:185393:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cc2)ccc1F,OYRRQIDYOCMRFQ-UHFFFAOYSA-N
-rxn:4:185398:226149,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2ccc(OC)c(C(C)(C)C)c2)c1,OQQYPECNJXWKPR-UHFFFAOYSA-N
-rxn:4:185402:222589,CCCOc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,WOIKNHKPHIGCOX-UHFFFAOYSA-N
-rxn:4:185442:227142,COc1ccc2sc(-c3cc(C4COC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2c1,NXFPTRNHHRJDQP-UHFFFAOYSA-N
-rxn:4:185448:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CCOCC3)c2)CC1,FJSJDJLQXOWJJE-UHFFFAOYSA-N
-rxn:4:185479:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(OCCCN4C(=O)c5ccccc5C4=O)ccc3Cl)c(Cl)c2)CC1,JTNAHWSRRAPXKR-UHFFFAOYSA-N
-rxn:4:185511:226119,COC(=O)c1cc(-c2cc(C)ccc2OCC2CC2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,HONZFFZCZUKTBA-UHFFFAOYSA-N
-rxn:4:185514:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)c2c(c1)C(=O)C(=O)N2CCCOc1ccccc1,GYAUNTZWWKDOMG-UHFFFAOYSA-N
-rxn:4:185859:223839,CCOC(=O)c1c(C#N)ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1F,VBYRYYKMIWSABZ-UHFFFAOYSA-N
-rxn:4:185896:224195,CCN1CCN(Cc2cc(-c3c(C#N)cc(C(F)(F)F)cc3C(=O)OC)ccc2Cl)CC1,RAAPXZVAWRRFFJ-UHFFFAOYSA-N
-rxn:4:186150:223482,CCOc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OCC)n1,SYLHVINOJNTLGI-UHFFFAOYSA-N
-rxn:4:186163:222514,COc1ccc(-c2ccc([N+](=O)[O-])cc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,PAUHKRCSMJAXNH-UHFFFAOYSA-N
-rxn:4:186234:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(OCC4CC4)c([N+](=O)[O-])cc3Cl)c2F)C1,QCIDGOCIUIYJGY-UHFFFAOYSA-N
-rxn:4:186545:223124,CC(C)NC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)c(F)cc2C(F)(F)F)c1,YHNBBADQIRKKPU-UHFFFAOYSA-N
-rxn:4:186582:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1CN(C)C,BAKYRQXEDZYERA-UHFFFAOYSA-N
-rxn:4:186629:222465,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,VTIYAAZLNJCJCO-UHFFFAOYSA-N
-rxn:4:186879:223978,CC(C)(C)OC(=O)c1ccc(-c2cc(OCC3CCOCC3)cc([N+](=O)[O-])c2)cc1C(F)(F)F,QBIAURRMFUFYRD-UHFFFAOYSA-N
-rxn:4:186950:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2(C#N)CCC2)c(OC(C)C)c1,STQKUNDGYITNPU-UHFFFAOYSA-N
-rxn:4:186989:223559,CCc1ccc(C)c(OC(=O)c2cncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)c1,AMBBTRZUENYXBS-UHFFFAOYSA-N
-rxn:4:187064:223681,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,MCOZMYVMSSSLHQ-UHFFFAOYSA-N
-rxn:4:187094:226530,CCOC(=O)c1cccc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)c1F,JGWCQFJZZKLKDH-UHFFFAOYSA-N
-rxn:4:187122:222744,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1CNC(=O)OC(C)(C)C,BSGIHRXPFUZWEV-UHFFFAOYSA-N
-rxn:4:187133:223844,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c(OC)c1C(=O)N1CCSCC1,HHYORMBCLQVQKZ-UHFFFAOYSA-N
-rxn:4:187148:225192,O=C(Cc1ccc(-c2cc(OC3CCCCC3)ncc2F)c(F)c1)N1CCCC(C(F)(F)F)C1,CZXUDFLNDBZNJG-UHFFFAOYSA-N
-rxn:4:187153:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)ccc1F,XAQOKULXEWDOGJ-UHFFFAOYSA-N
-rxn:4:187153:223497,CC(c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,XVQKROCMFVUVLR-UHFFFAOYSA-N
-rxn:4:187157:225331,CCOc1cc(OC(F)(F)F)cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)c2)c1,KSNOGZKYOHUVRG-UHFFFAOYSA-N
-rxn:4:187162:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)CC3SC(=O)N(c4ccccc4)C3=O)cc2)CC1,BUNJIUINGRFDJI-UHFFFAOYSA-N
-rxn:4:187185:224065,COC(=O)C1(C)CCN(Cc2ccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)cc2)C1,PGUPMKINMBVLNR-UHFFFAOYSA-N
-rxn:4:187188:224681,CCOC(=O)c1ccc(N2CCCC2C)c(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c1,XJHSTKKBYOYVOY-UHFFFAOYSA-N
-rxn:4:187218:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CCN3CCC(C(F)(F)F)CC3)cc2)ccn1,BKFKTYRCDVVPCX-UHFFFAOYSA-N
-rxn:4:187244:224502,CN1CCCCC1COc1cccc(-c2ccc(F)cc2CCN2CCCC(C(F)(F)F)C2)c1,IPXONLSKBJOKOI-UHFFFAOYSA-N
-rxn:4:187267:222493,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1cc(F)cc(NC(=O)OCc2ccccc2)c1,JUPJFIMJIBNRCR-UHFFFAOYSA-N
-rxn:4:187270:222406,CCNC(=S)Nc1cccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)c1,OLQZKSSJFZBYMN-UHFFFAOYSA-N
-rxn:4:187275:224378,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1,YILUORZOBPDWKI-UHFFFAOYSA-N
-rxn:4:187290:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1OCCN1CCC(C)CC1,OOWIHNOUQCBNTA-UHFFFAOYSA-N
-rxn:4:187310:223867,CC1CCN(CCCOc2cccc(-c3cc(Cl)cc(F)c3OCCN3CCCCC3C)c2)CC1,BPICFARKUNWCFD-UHFFFAOYSA-N
-rxn:4:187328:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C4COS(=O)(=O)N4C(=O)OC(C)(C)C)cc3)c2)CC1,JFFOJDYROGIPIF-UHFFFAOYSA-N
-rxn:4:187335:225339,COc1cc(-c2cc(F)ccc2COCC(F)(F)F)cc(OC)c1C(=O)N1CCC(F)(F)CC1,HMSFBGNCGQIVSL-UHFFFAOYSA-N
-rxn:4:187375:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(S(=O)(=O)CC(=O)N2CCCC(C)C2)c1,IFNCTZFXBWARGD-UHFFFAOYSA-N
-rxn:4:187406:223754,Cc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)ccc1OCC(=O)N1CCC(C)CC1,VSTGCSJPQVNDIF-UHFFFAOYSA-N
-rxn:4:187410:224713,CCCCOc1ccc(-c2cccc(OCC(=O)N3C(C)CCCC3C)c2)c(C(F)(F)F)c1,GXYOMASALDMLNC-UHFFFAOYSA-N
-rxn:4:187433:224252,COC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(CN2CCCC(C)C2)c1,GMBJNOQSDZQHOH-UHFFFAOYSA-N
-rxn:4:187488:225936,CCOc1ccc(-c2cc(C(F)(F)F)cnc2C(C)C)cc1S(=O)(=O)N1CCC(C)CC1,KNACGSNDAHVLTO-UHFFFAOYSA-N
-rxn:4:187497:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3COCCN3C(=O)OC(C)(C)C)c2)c1,TWUIGLIZIYAMTJ-UHFFFAOYSA-N
-rxn:4:187498:222823,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)cc(OC)c1C(=O)N1CCC(C)CC1,JGXADGRUUQYQEM-UHFFFAOYSA-N
-rxn:4:187501:224760,CC(C)Oc1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1CN1CCCC(F)(F)C1,MTARPCPXJCDDCG-UHFFFAOYSA-N
-rxn:4:187542:224878,COc1cc(-c2ccccc2COC2CCCCC2)cc(OC)c1CN1CCC(C)CC1,DARPMFQIBCYWTP-UHFFFAOYSA-N
-rxn:4:187553:223999,CCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)ccc1S(=O)(=O)N1CC(C)OC(C)C1,SEOUNKJDSRVEQT-UHFFFAOYSA-N
-rxn:4:187557:222886,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,NYUKHXHNIAMTJB-XMMPIXPASA-N
-rxn:4:187597:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,GLNMANNCESFOFZ-UHFFFAOYSA-N
-rxn:4:187634:222514,COc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,RXADNKSBLVHKJF-UHFFFAOYSA-N
-rxn:4:187659:226098,CCCCOc1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C,OIRICGCHBUTMSC-UHFFFAOYSA-N
-rxn:4:187665:227119,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc(C3CCCCC3)cs2)c1,MHXTYYQOIYWZEZ-UHFFFAOYSA-N
-rxn:4:187678:222584,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)C2)cc1,RTNAUJHCSIMHHH-UHFFFAOYSA-N
-rxn:4:187916:224878,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccccc1COC1CCCCC1,NCYMCCWBUVUGAD-UHFFFAOYSA-N
-rxn:4:187943:226093,COc1ccc(-c2ccc(SCCC(C)C)cc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,SCLLKYQXKYFWCE-UHFFFAOYSA-N
-rxn:4:187973:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,YIJULTPZXPQBTG-UHFFFAOYSA-N
-rxn:4:187993:223606,COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)c(=Nc3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cc3)oc12,GGPFVNVNFAFXRD-UHFFFAOYSA-N
-rxn:4:187995:225498,CCc1cc(-c2cc(C3CCCCC3)ccc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,HJLMDPXZYAGLPC-UHFFFAOYSA-N
-rxn:4:188005:225559,COc1ccc(CN2C(=O)C3C(c4ccc(-c5ccc(OCC6CCOC6)cc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,YNHHXTDECIDNKF-UHFFFAOYSA-N
-rxn:4:188172:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(F)cc(OC(F)F)c3[N+](=O)[O-])c2Cl)CC1,ZMSKRJFWLPWIMJ-UHFFFAOYSA-N
-rxn:4:188959:223542,CC(C)COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c(F)n1,ANNSOKGJLJSBIY-UHFFFAOYSA-N
-rxn:4:189104:222466,COC(=O)c1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(C2COC2)n1,IWPWXJCREDAIEB-UHFFFAOYSA-N
-rxn:4:189214:223810,Cc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2F)cc(C)c1S(=O)(=O)N1CCC(C)CC1,DBIIHOOZPRMSFG-UHFFFAOYSA-N
-rxn:4:189356:222546,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCNC2CCCCC2)c(F)c1,PLQLWUUXVLLSNZ-UHFFFAOYSA-N
-rxn:4:189356:222584,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,SJUIOTJVANWVDA-UHFFFAOYSA-N
-rxn:4:189356:222589,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,HBFBAAMGGOFWDC-UHFFFAOYSA-N
-rxn:4:189356:223492,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,RANUWCCYRBCTHL-UHFFFAOYSA-N
-rxn:4:189356:223505,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,RDRYQQUUHJHAIX-UHFFFAOYSA-N
-rxn:4:189356:223525,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FWXKXNOLZTZZJQ-UHFFFAOYSA-N
-rxn:4:189356:223534,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,FYKRVWWOXZGDKX-UHFFFAOYSA-N
-rxn:4:189356:223598,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,RWXBYWXJBSSQCV-UHFFFAOYSA-N
-rxn:4:189356:223606,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,MZBFIWZEFWACGI-UHFFFAOYSA-N
-rxn:4:189356:223683,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,NNQKFTHPNLXSJC-UHFFFAOYSA-N
-rxn:4:189356:223686,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c1,MQDMAJDSUPSDHL-UHFFFAOYSA-N
-rxn:4:189356:223777,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,HVBFLNRWFHBHGZ-UHFFFAOYSA-N
-rxn:4:189356:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(N)(=O)=O)cc3S(=O)(=O)CC)cc2F)CC1,OLUIUUCOKMAKHW-UHFFFAOYSA-N
-rxn:4:189356:223792,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1,GOOMDTPZRHWNQG-UHFFFAOYSA-N
-rxn:4:189356:223811,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,RTQCKUXBANSWDR-UHFFFAOYSA-N
-rxn:4:189356:223814,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,BHKTXYPAGWPQBZ-UHFFFAOYSA-N
-rxn:4:189356:223815,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,CWUTWJSMXKEPRG-UHFFFAOYSA-N
-rxn:4:189356:223831,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,AETHSOFVPVNXNS-UHFFFAOYSA-N
-rxn:4:189356:223832,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,LIPNUYXCAQAYQP-UHFFFAOYSA-N
-rxn:4:189356:223834,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,QKFAIQBEBGLDAK-UHFFFAOYSA-N
-rxn:4:189356:223867,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCCN2CCC(C)CC2)c1,NBRFMSUEQYTRJP-UHFFFAOYSA-N
-rxn:4:189356:223892,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCN(C)CC2)cc1,ZOCSIOFFIYECEN-UHFFFAOYSA-N
-rxn:4:189356:223897,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(OCCCN2CCOCC2)c1,ZRHYOBXPLWRYHU-UHFFFAOYSA-N
-rxn:4:189356:223916,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cc1,HAGYIXLBTFHXDQ-UHFFFAOYSA-N
-rxn:4:189356:223919,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1,IDAIMHPWSVVALP-UHFFFAOYSA-N
-rxn:4:189356:223926,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1,HHUKIQQDQBAPMW-UHFFFAOYSA-N
-rxn:4:189356:223941,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,WHIAIETWYGJEJE-UHFFFAOYSA-N
-rxn:4:189356:223945,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCOCC2)c(F)c1,LISUKKMAAFYKDS-UHFFFAOYSA-N
-rxn:4:189356:223948,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c1,KGQYOBSCFVJPHP-UHFFFAOYSA-N
-rxn:4:189356:223954,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,XCKJCOTZMYKASP-UHFFFAOYSA-N
-rxn:4:189356:223991,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c1F,SFQIFRHYPXMEJF-UHFFFAOYSA-N
-rxn:4:189378:223901,CC1CCN(CCOc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c3)cc2Cl)CC1,KGUTVFFIKZYMTD-UHFFFAOYSA-N
-rxn:4:189847:224582,CC(=O)N(c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1)C1C=CS(=O)(=O)C1,JYLPKTXGTSHRID-UHFFFAOYSA-N
-rxn:4:189859:224811,COC(=O)c1cc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCC(F)(F)C1,WMIGTHINWQGHFR-UHFFFAOYSA-N
-rxn:4:189865:223491,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,CTVVUZXFAONYKF-UHFFFAOYSA-N
-rxn:4:189868:224064,CC1CCCCN1c1cc(-c2ccc(C(=O)N3CCOCC3)cc2C(F)(F)F)cc(C2CC2)c1,GCQZFMZULOHIJF-UHFFFAOYSA-N
-rxn:4:189874:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCOCC3)c2)c1F,PWBKTIKVBZALID-UHFFFAOYSA-N
-rxn:4:189922:223867,COC(=O)c1cnc(C2CCOCC2)cc1-c1cccc(OCCCN2CCC(C)CC2)c1,UTKGKKCVROSAOD-UHFFFAOYSA-N
-rxn:4:189943:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccccc2CS(=O)(=O)N2CCOCC2)C1,GWSPGLCOFLJZLQ-UHFFFAOYSA-N
-rxn:4:189972:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCC1,BSDSLQYVNOBGJM-UHFFFAOYSA-N
-rxn:4:189974:224764,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c(F)c1)N1CCOCC1,VAJCCDXNUMMOSA-UHFFFAOYSA-N
-rxn:4:190010:224485,C#CC1CCN(S(=O)(=O)c2cccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,PJGRGAZIBVLRDV-UHFFFAOYSA-N
-rxn:4:190073:224663,CN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCCC(C(F)(F)F)C4)c3)cc2F)CC1,NNCGLFOPTKAKPY-UHFFFAOYSA-N
-rxn:4:190116:224378,CCc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,MOWLNJXCXDDKGN-UHFFFAOYSA-N
-rxn:4:190166:223608,O=S(=O)(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1)N1CCCCC1,IDUPMHZYPHQKGQ-UHFFFAOYSA-N
-rxn:4:190187:222611,COc1cc(CN2CCCCC2)cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)c1,QPXORJNMNYJVBJ-UHFFFAOYSA-N
-rxn:4:190201:223712,COc1ccc(-c2ccc(Cl)c(CCN3CCOC(C)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,SVFFFVVUQUECRD-UHFFFAOYSA-N
-rxn:4:190227:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)cc2)CC1,MJNDQXAQXDTFOX-UHFFFAOYSA-N
-rxn:4:190228:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)c1,ZITKLKIRBPWQDV-UHFFFAOYSA-N
-rxn:4:190315:223712,COc1ccc(-c2cc(CCN3CCC(C)CC3)ccc2F)cc1C12CC3CC(CC(C3)C1)C2,WWYAKGUTLCRMOK-UHFFFAOYSA-N
-rxn:4:190321:223892,COc1cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)ccc1C(=O)N1CCCC(C)C1,ZDRQQELOSXPMBU-UHFFFAOYSA-N
-rxn:4:190322:224350,CCS(=O)(=O)N1CCC(c2ccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,FGHGTIJNQQDSDX-UHFFFAOYSA-N
-rxn:4:190327:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCCCC1,SXDDIWNMFSSQMQ-UHFFFAOYSA-N
-rxn:4:190354:223166,Cc1cc(-c2ccc(N3CCNCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,ZMPGGILAVSBZAY-UHFFFAOYSA-N
-rxn:4:190354:226395,Cc1cc(-c2cncc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,GIYWTLJYJBIRCE-UHFFFAOYSA-N
-rxn:4:190355:222466,CC1CCN(S(=O)(=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc(C(F)(F)F)c2)CC1,CHCNAIYBIWSBMF-UHFFFAOYSA-N
-rxn:4:190355:223699,CC1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc(C(F)(F)F)c2)CC1,PFAAYXKKBVHLCI-UHFFFAOYSA-N
-rxn:4:190388:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)c(F)ncc21,RUNJFHNQXANECD-UHFFFAOYSA-N
-rxn:4:190400:222514,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)c3ccccc3)cc2)cc1S(=O)(=O)NC1CCCCC1,JPRAQUGIHWHPOJ-UHFFFAOYSA-N
-rxn:4:190425:223936,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1cc2c(F)cccc2n1C(=O)OC(C)(C)C,SGQQPDHGVUJTLJ-UHFFFAOYSA-N
-rxn:4:190451:223170,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(C2CCCNC2)nc1,ZWWXUWVPUPDNOM-UHFFFAOYSA-N
-rxn:4:190475:222584,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,NCYLJYIKNBSEOW-UHFFFAOYSA-N
-rxn:4:190475:222990,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1,IUHDQGQNOQVEBX-UHFFFAOYSA-N
-rxn:4:190475:223000,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1,UHCKLDDSJQVEBF-UHFFFAOYSA-N
-rxn:4:190475:223005,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1,VAVTWOZZUXORHA-UHFFFAOYSA-N
-rxn:4:190475:223492,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCJZBDLKGNOQFM-UHFFFAOYSA-N
-rxn:4:190475:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,NHCGKWAYEVSJKX-UHFFFAOYSA-N
-rxn:4:190475:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,NNRJYRZKLMSKSI-UHFFFAOYSA-N
-rxn:4:190475:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2C)c1,TVFZQGZWTJABAV-UHFFFAOYSA-N
-rxn:4:190475:223578,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1,BFJKLZKOHMUOQR-UHFFFAOYSA-N
-rxn:4:190475:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,OLSPMUNTKILCOG-UHFFFAOYSA-N
-rxn:4:190475:223597,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,YVEPNSVYJGBVGG-UHFFFAOYSA-N
-rxn:4:190475:223633,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c(Cl)c1,DOMSSRDHAJMHPU-UHFFFAOYSA-N
-rxn:4:190475:223647,COc1cc(COc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)cc(OC)c1,CVZZUJPYCKGBAR-UHFFFAOYSA-N
-rxn:4:190475:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2C)CC1,CZHNPLFXJWZWTQ-UHFFFAOYSA-N
-rxn:4:190475:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)ccc2c1,BNAKPAUEMYRWTB-UHFFFAOYSA-N
-rxn:4:190475:223743,Cc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1OCCCN1CCC(C)CC1,CLCOBOYBTXGSRQ-UHFFFAOYSA-N
-rxn:4:190475:223753,Cc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1OCCCN1CCN(C)CC1,KVQUQURSQXKCPE-UHFFFAOYSA-N
-rxn:4:190475:223787,CN1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2F)CC1,DSRSZSFNDXKLFX-UHFFFAOYSA-N
-rxn:4:190475:223810,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,IJTHSOUIBYECNK-UHFFFAOYSA-N
-rxn:4:190475:223892,CN1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,IKEWELRSHKWJRN-UHFFFAOYSA-N
-rxn:4:190475:223894,CN1CCN(CCCOc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,SHFZFTZGALWFNM-UHFFFAOYSA-N
-rxn:4:190475:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1F,UQKCGNYSBBMAGY-UHFFFAOYSA-N
-rxn:4:190475:223901,CC1CCN(CCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,FHHDLVXUKYXNGF-UHFFFAOYSA-N
-rxn:4:190475:223952,CN1CCN(CCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,NQXGQFHWAFSOTF-UHFFFAOYSA-N
-rxn:4:190475:223993,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,ZSXQLUIHGFBAFZ-UHFFFAOYSA-N
-rxn:4:190475:224153,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1,GCANERXLUGCMDQ-UHFFFAOYSA-N
-rxn:4:190475:224170,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc1,XIBBYUJGIJNXSQ-UHFFFAOYSA-N
-rxn:4:190475:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c(Cl)c1)C(C)C,UPWJXLWJMBMNLY-UHFFFAOYSA-N
-rxn:4:190475:224194,CCN1CCN(Cc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,MVIQDFYHODSTSQ-UHFFFAOYSA-N
-rxn:4:190475:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,JCKCGEKBBVGATR-UHFFFAOYSA-N
-rxn:4:190475:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c(Cl)c1,FOLSKXJCJRUKQQ-UHFFFAOYSA-N
-rxn:4:190475:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C2CCCN2C(=O)C2CCCCC2)cc1,WSECCXMWTTZMFU-UHFFFAOYSA-N
-rxn:4:190475:224323,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc(C)c1S(=O)(=O)N1CCCC1,YAVHNNCGMLLYQW-UHFFFAOYSA-N
-rxn:4:190475:224326,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1S(=O)(=O)N1CCCCC1,LQHMEESTTKBWEV-UHFFFAOYSA-N
-rxn:4:190475:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1C,SFRYMXCJPYXJRI-UHFFFAOYSA-N
-rxn:4:190475:224811,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1,NPDKOIMTMHPHSB-UHFFFAOYSA-N
-rxn:4:190475:224977,N#Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1N1CCCCC1,CTYXEJLOHNHHIS-UHFFFAOYSA-N
-rxn:4:190475:225047,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cnc1N1CCC(C)CC1,NZDPSPFGJZHINW-UHFFFAOYSA-N
-rxn:4:190475:225087,CN(C)CCCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1F,ZOUQFNIQHSUZPJ-UHFFFAOYSA-N
-rxn:4:190475:225218,CC1CCCN(c2ncc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)C1,VLWCYKAUDBKVTD-UHFFFAOYSA-N
-rxn:4:190475:225426,CCN(CC)C(C)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,FBACZIXRHAZIJZ-UHFFFAOYSA-N
-rxn:4:190475:225554,CC(C)(C)Oc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1C#N,VMNXJOFNGFWXKS-UHFFFAOYSA-N
-rxn:4:190475:225576,N#Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1N1CCCC1,HOIHWDNZMZHRMT-UHFFFAOYSA-N
-rxn:4:190475:225631,CN1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,OSYXDICBVTZBOH-UHFFFAOYSA-N
-rxn:4:190475:225641,CC1CCCN(c2cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)ccn2)C1,WTCNBIHKDIOUNV-UHFFFAOYSA-N
-rxn:4:190475:225709,CN(C)CCCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cn1,ZJEDGHRGRXPMRW-UHFFFAOYSA-N
-rxn:4:190475:225805,CC(c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)s1)N1CCOCC1,PLIABANVNTZGPL-UHFFFAOYSA-N
-rxn:4:190475:225979,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2cnc(N3CCOCC3)c(Cl)c2)cc1,KIRUEAXGHQCBJE-UHFFFAOYSA-N
-rxn:4:190484:223836,COc1ncnc2c1cc(-c1cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c1)n2C(=O)OC(C)(C)C,ROKIFXAGQPFPNV-UHFFFAOYSA-N
-rxn:4:190676:223542,COC(=O)c1cc(OC)c2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)c2n1,SEHVMYRHQODMFM-UHFFFAOYSA-N
-rxn:4:190762:222614,COc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc2c1C(=O)N(CC(F)(F)F)CC2,RBAABXVMKGQVHL-UHFFFAOYSA-N
-rxn:4:190785:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CC(=O)N1CC2CC1CS2,ZPYAPCOSROEICN-UHFFFAOYSA-N
-rxn:4:190865:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)C(C)(C)C,JFQIEYRMGLDGCQ-UHFFFAOYSA-N
-rxn:4:190894:223635,COC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2c1c(C)cn2C(C)C,ZXMJHXWGYUMBTQ-UHFFFAOYSA-N
-rxn:4:190902:222598,Cc1cc(-c2cccc3c2OCCN3C(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)NC1CCCC1,VJPMJPXOLWTORN-UHFFFAOYSA-N
-rxn:4:190929:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2=O,RCZKKPCRNUSXMO-UHFFFAOYSA-N
-rxn:4:190930:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O,VTOSKVAILCSRIW-UHFFFAOYSA-N
-rxn:4:190951:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1,JITFYZCEGMRCOL-UHFFFAOYSA-N
-rxn:4:190953:222758,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1NC(=O)OC(C)(C)C,LCDQNSBVEWNBLY-UHFFFAOYSA-N
-rxn:4:190953:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,HHNYUGIGIVDTAF-UHFFFAOYSA-N
-rxn:4:190983:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,QVQWZTRKSMCWAP-UHFFFAOYSA-N
-rxn:4:191038:222837,CC1c2ccc(-c3cccc(CC(=O)NC(C)(C)C)c3)cc2CCN1C(=O)OC(C)(C)C,MOUWOBQQUDEXQN-UHFFFAOYSA-N
-rxn:4:191039:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,QXCLGCWXCDHOFT-UHFFFAOYSA-N
-rxn:4:191041:223664,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c1,BSSFWBGGFZFNAH-UHFFFAOYSA-N
-rxn:4:191062:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,JCIYSMKQSBSAIE-UHFFFAOYSA-N
-rxn:4:191062:226124,COCc1ccc(C2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,BLXWPAUSKMYJSE-UHFFFAOYSA-N
-rxn:4:191074:224824,COc1cc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc2cc(C(=O)N3CCCCC3C)c(=O)oc12,OBNXOHDQNMDKPB-UHFFFAOYSA-N
-rxn:4:191087:222950,CONS(=O)(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1OC,FVXVDRDAOSUKJE-UHFFFAOYSA-N
-rxn:4:191089:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,MURSTEZRYZBYHK-UHFFFAOYSA-N
-rxn:4:191097:224893,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cc21,XUWBRGAGOCRBRT-UHFFFAOYSA-N
-rxn:4:191097:225904,CON(C)C(=O)c1ccc(F)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ZOPFYOMQPDMSAI-UHFFFAOYSA-N
-rxn:4:191103:226061,CC(C)c1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,KASIBQVDDNKFBJ-UHFFFAOYSA-N
-rxn:4:191105:224846,CCC1CCC(c2ccc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,VSIBBTFXQWUXPB-UHFFFAOYSA-N
-rxn:4:191105:227539,COc1cc(Cl)cc(OC)c1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,HFMCBPJAOXLGGA-UHFFFAOYSA-N
-rxn:4:191107:225337,COc1cc(-c2cc(F)cc(COCC(F)(F)F)c2)cc2cc(C(=O)N3CC(C)CC(C)C3)c(=O)oc12,WDTNAVQIWGFOLZ-UHFFFAOYSA-N
-rxn:4:191109:224667,COc1ccc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,SMPKMNKOEBCMKE-UHFFFAOYSA-N
-rxn:4:191114:222540,Cc1ccc(C(=O)C2=CN(c3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)c3cc(F)ccc3S2(=O)=O)cc1,IHUAQGMXNPWCOA-UHFFFAOYSA-N
-rxn:4:191118:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)ccc2Cl)CC1,OEWSLAHJQJAPEE-UHFFFAOYSA-N
-rxn:4:191118:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc2)CC1,KTTWHHFPWSSGNE-UHFFFAOYSA-N
-rxn:4:191124:223106,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc32)CC1,MZBWIJKVXZJMTJ-UHFFFAOYSA-N
-rxn:4:191124:227055,COc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,YHNNOAUORMXXML-UHFFFAOYSA-N
-rxn:4:191172:225827,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4)cc1c32,XTBXMLYLBJOPNO-UHFFFAOYSA-N
-rxn:4:191194:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc3c4c(cccc14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)n2C(=O)OC(C)(C)C,HWANKSPZYQKQAP-UHFFFAOYSA-N
-rxn:4:191195:223289,CNS(=O)(=O)c1ccccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,GRURIHYUZLBXRF-UHFFFAOYSA-N
-rxn:4:191195:226062,CC(C)c1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc(C(C)C)c1,VVLJIKMKLFVMQA-UHFFFAOYSA-N
-rxn:4:191195:227811,CC(C)Cc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,UCKJKFWFSJRBPU-UHFFFAOYSA-N
-rxn:4:191197:225284,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cnc(C(F)(F)F)c(CC(C)C)c2)c1)N(CC1CCCO1)C3=O,HGGSONATURZXIS-UHFFFAOYSA-N
-rxn:4:191206:225881,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccc(C5CCOCC5)nc4F)c3)C3=C(CCCC3=O)N1CC2,PPVXCQRYUZSKEY-UHFFFAOYSA-N
-rxn:4:192209:223608,N#Cc1ccc(C2COC2)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,QPWMSRUYFLACMY-UHFFFAOYSA-N
-rxn:4:192623:223712,COc1ccc(-c2ccc(S(C)(=O)=O)cc2S(N)(=O)=O)cc1C12CC3CC(CC(C3)C1)C2,TVRMDHKQYPYWDH-UHFFFAOYSA-N
-rxn:4:192776:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(S(=O)(=O)N2CC(F)(F)C2)c1,ZSQHXDYGIAAGSH-UHFFFAOYSA-N
-rxn:4:192822:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(N4CC(F)(F)C4)c3C(F)(F)F)c2)CC1,SEBMKNPOANKOMF-UHFFFAOYSA-N
-rxn:4:193131:222742,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)C=C1,KGIJYTDYBRKZHC-UHFFFAOYSA-N
-rxn:4:193171:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(CN4CC(F)C4)ccc3C)c2)CC1,WJSZQCGCZRDOBF-UHFFFAOYSA-N
-rxn:4:193203:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccc(CN4CCC(F)(F)C4)c3)cn2)C1,LWIFAQUXBWZRFM-UHFFFAOYSA-N
-rxn:4:193254:223847,CCCCCC1CCC(c2ccc(-c3ccc(F)c(CN4CCC(F)(F)C4)c3)cc2)CC1,ODRCIYXCXXVEIF-UHFFFAOYSA-N
-rxn:4:193398:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(C(F)(F)F)c(C4CCOCC4)c3)cc2)CC1,SOEYRNZBSDKREH-UHFFFAOYSA-N
-rxn:4:193446:223814,Cc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C(=O)N1CCCC1,GWCPWFNOMNLDGQ-UHFFFAOYSA-N
-rxn:4:193471:223599,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cc2cc(C(F)(F)F)ccc21,GGQVMCIJNMZOEN-UHFFFAOYSA-N
-rxn:4:193488:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(C(=O)N3CCCC3)c2F)CC1,QCCSNKPLNSIQSM-UHFFFAOYSA-N
-rxn:4:193503:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(S(C)(=O)=O)c(C4=NOCC4)c3C)c2)CC1,PVWMAGXFJVKUNM-UHFFFAOYSA-N
-rxn:4:193604:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)c(F)ccc21,KQDDJCVAGPQZIJ-UHFFFAOYSA-N
-rxn:4:193627:222542,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1OCCCN1CCNCC1,SMTRFRIUZFGAFT-UHFFFAOYSA-N
-rxn:4:193639:224746,CC(=O)N1CCN(c2ccc(-c3cccc(N4CCC(F)(F)CC4)c3C(F)(F)F)cn2)CC1,AYTOWTOJBVWSGI-UHFFFAOYSA-N
-rxn:4:193689:222712,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1F,DALQPWDZQLUTEV-UHFFFAOYSA-N
-rxn:4:193733:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=N[C@@H](C(C)(C)C)CO4)cc3)cc2)CC1,XTPUGEZUQMOLPQ-HSZRJFAPSA-N
-rxn:4:193824:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3C3(N4CCC(=O)CC4)CC3)c2)CC1,BFUBAOVCUDBQFD-UHFFFAOYSA-N
-rxn:4:193827:224349,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,QORZFLQFMMAWRB-UHFFFAOYSA-N
-rxn:4:193827:224406,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,NYSGMFPNYWQQKU-UHFFFAOYSA-N
-rxn:4:193829:224376,CC1CCCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)C1,UIQDIGCCNYDJAT-UHFFFAOYSA-N
-rxn:4:193831:224378,Cc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1,ITBAPBJZGNAHLR-UHFFFAOYSA-N
-rxn:4:193832:224350,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1cnc(C2CCCCC2)c(C(F)(F)F)c1,HXPBDZBTIFBVHH-UHFFFAOYSA-N
-rxn:4:193834:224378,Cc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCCC1,BBVDTGLSCYKVGV-UHFFFAOYSA-N
-rxn:4:193841:224349,CC1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)CC1,KAVCLCPPRQIQNE-UHFFFAOYSA-N
-rxn:4:193842:224378,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)c1,CLRBEDAPFONFNL-UHFFFAOYSA-N
-rxn:4:193845:224378,CS(=O)(=O)N1CCC(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,RMSSZTGTNLFHQM-UHFFFAOYSA-N
-rxn:4:193850:224323,CCc1cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc(N2CCC(F)(F)CC2)c1,GWMUZQXKMKUBKP-UHFFFAOYSA-N
-rxn:4:193864:223508,O=C1CCCCN1c1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc(C2CC2)c1,IECUPSQYHZSBDL-UHFFFAOYSA-N
-rxn:4:193874:222537,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2F)CC1,XCCXTZLGXKULOH-UHFFFAOYSA-N
-rxn:4:193907:224378,Cc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,QARJHCOIJFBRED-UHFFFAOYSA-N
-rxn:4:193931:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(C)c1,QJEDNJUCOAKRIW-UHFFFAOYSA-N
-rxn:4:193936:222816,COc1ccc(-c2ccc(C(=O)N3CC4(COC(C)(C)OC4)C3)o2)cc1S(=O)(=O)NC(C)C,CNGBMVHWWIFVRP-UHFFFAOYSA-N
-rxn:4:193936:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC4(COC(C)(C)OC4)C3)o2)cc1,QADAGGOYMYKUSH-UHFFFAOYSA-N
-rxn:4:193962:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C,YAWRCJXYKMEVRA-UHFFFAOYSA-N
-rxn:4:193962:224100,Cc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1-c1ccccc1OCCN1CCC(C)CC1,OQHIWUAICYWIIM-UHFFFAOYSA-N
-rxn:4:193964:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCC(C)CC2)c1,BSIMJFSHTVCBII-UHFFFAOYSA-N
-rxn:4:193974:224178,CN1CCN(CCOc2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,XKOSPCBTFWXXLO-UHFFFAOYSA-N
-rxn:4:194001:222826,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1cccc(S(=O)(=O)N2CCNCC2)c1,SVBQSSJAJCRJRH-UHFFFAOYSA-N
-rxn:4:194539:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CN(S(=O)(=O)C(C)C)C4)c(F)ccc21,ZIDUQXBVZMJLDS-UHFFFAOYSA-N
-rxn:4:194554:224160,Cc1cc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc2c1N(CC(C)C)C(=O)C2=O,MVALMFMUSXWDQR-UHFFFAOYSA-N
-rxn:4:194593:224710,CCCCOc1cc(-c2cc(CN3CCC(F)(F)C3)cc3c2OCC3)cc(C(F)(F)F)c1,UODOLPLPXBTMSM-UHFFFAOYSA-N
-rxn:4:194645:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCO3)cc1,VPMFMFMYYWFNCV-PELDHITCSA-N
-rxn:4:194649:224680,O=C(C1=Cc2cc(-c3cc(C(=O)N4CCCCC4)ccc3F)ccc2OC=C1)N1CCOCC1,VDTGRYSLALNLEM-UHFFFAOYSA-N
-rxn:4:194696:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3ccc4c(c3)CCCC4=NS(=O)C(C)(C)C)cc2C1,RTARMVXWIJWQTG-UHFFFAOYSA-N
-rxn:4:194711:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC3N2CCCC(C(F)(F)F)C2)cc1,POHIATBEFVJICZ-UHFFFAOYSA-N
-rxn:4:194730:224089,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCC(C)CC5)cc4)ccc32)CC1,FCUHVUJOFUNFBT-UHFFFAOYSA-N
-rxn:4:194736:222522,COc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC(C)C4)cc3c2)cc1S(=O)(=O)N1CCC(O)CC1,DJSXLSQMKLXQHL-UHFFFAOYSA-N
-rxn:4:194750:223882,Cc1cccc2c1cc(-c1ccccc1S(=O)(=O)N1C3CCC1CC(=C1CC1)C3)n2C(=O)OC(C)(C)C,WTPOTMLURBXAJP-UHFFFAOYSA-N
-rxn:4:194750:225805,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)s1)N1CCOCC1,SELZMTHQWSYOJS-UHFFFAOYSA-N
-rxn:4:194773:225182,O=C1OC2(CCN(S(=O)(=O)c3ccccc3-c3ccnc(OC4CCCCC4)c3Cl)CC2)c2ccccc21,KXOIJELVGOCVSK-UHFFFAOYSA-N
-rxn:4:194783:222637,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)cc2)c2ccc(C)cc21,BLLKLPZXGBWDJF-UHFFFAOYSA-N
-rxn:4:194785:223007,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)CC2)Oc2ccccc21,AYIKATSSUBJQHT-UHFFFAOYSA-N
-rxn:4:194785:225180,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCC5)cc4Cl)cc3)CC2)Oc2ccccc21,DOUPGXCACMMEPS-UHFFFAOYSA-N
-rxn:4:194785:225182,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3)CC2)Oc2ccccc21,LMPJJPYQRJJZCR-UHFFFAOYSA-N
-rxn:4:194785:225186,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(CN5CCSCC5)c4)cc3)CC2)Oc2ccccc21,UWEZRDNNBNGHFK-UHFFFAOYSA-N
-rxn:4:195048:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nc(C(C)(F)F)cs3)cc2)CC1,OKDVLRMCQLSTBA-UHFFFAOYSA-N
-rxn:4:195496:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)nc3)cc2Cl)CC1,ZREAHSNFHXZCRT-UHFFFAOYSA-N
-rxn:4:195639:223539,COc1ccc(-c2cc(C)c([N+](=O)[O-])cc2F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VGNJSEJEUSJOTB-UHFFFAOYSA-N
-rxn:4:195715:223480,Cc1cc(-c2cc(F)c(S(N)(=O)=O)cc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QEZYFCFFXCBPAT-UHFFFAOYSA-N
-rxn:4:195718:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(Cl)c3S(N)(=O)=O)cc2F)CC1,IOGWEODMGLKMQI-UHFFFAOYSA-N
-rxn:4:196176:223588,Cc1cc(F)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(N)(=O)=O,MGNKRFFCUIZPHP-UHFFFAOYSA-N
-rxn:4:196607:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(C)OCCO4)nc3)cc2)CC1,FKBVSGLDUSMAKD-UHFFFAOYSA-N
-rxn:4:197856:223897,Cc1ccc(-c2ccc3c(c2)OC(=O)N(C2CCC2)C3)cc1OCCCN1CCOCC1,PUDCEZWLFUDRLZ-UHFFFAOYSA-N
-rxn:4:197940:223918,CN1C(=O)C(C)(C)Oc2c(-c3cc(C(=O)N(C)C4CCCCC4)ccc3F)cc(S(C)(=O)=O)cc21,MFMUCQPMVXQNEH-UHFFFAOYSA-N
-rxn:4:197976:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cccc2c1CCCC2N1CCCC(F)(F)C1,IFXUBVGJWPYCOU-UHFFFAOYSA-N
-rxn:4:198015:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CIXHIVLTBLCHGV-UHFFFAOYSA-N
-rxn:4:198048:222439,CN1C(=O)c2oc3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)cc3c(=O)c2C1c1ccccc1,SBBWRDXTMUOXIF-UHFFFAOYSA-N
-rxn:4:198585:223480,Cc1cc(-c2nc3c(s2)CCCC3=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,COQIIWLTLXDPFA-UHFFFAOYSA-N
-rxn:4:199145:223594,CN1C(=O)c2cc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2S1(=O)=O,CMWDADCPDDKGOO-UHFFFAOYSA-N
-rxn:4:199539:226583,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(CN3CCOCC3)s2)cc1,HVZLQZISMGYEPC-UHFFFAOYSA-N
-rxn:4:199547:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccnc(N(CC2CC2)C(=O)OC(C)(C)C)c1,AHZQOEPTKFEMIG-UHFFFAOYSA-N
-rxn:4:199575:223239,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2cncc(C3CCCN3)c2)c1,NWOIRLBKIUKULI-UHFFFAOYSA-N
-rxn:4:199575:223806,COc1ccc(COc2c(F)ccc(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(C(F)(F)F)CC3)c2F)cc1,SYAQGMMBCVQMAJ-UHFFFAOYSA-N
-rxn:4:199575:225572,COC(=O)c1ccc(C2CC2)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCC(C(F)(F)F)CC1,QLIJSKZEIVBMAB-UHFFFAOYSA-N
-rxn:4:199577:227577,CCOc1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)cc(Cl)c1F,JYWOFIQZJIUNGW-UHFFFAOYSA-N
-rxn:4:199591:222935,CC(C)N(Cc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cn1)C(=O)OC(C)(C)C,XUWRSFUPOFGURC-UHFFFAOYSA-N
-rxn:4:199647:223640,CCOC12C(=O)c3cc(F)cc(-c4c([Si](C)(C)C)nc(SC)n4COCc4ccccc4)c3C(=O)C1C2(C)C,ICJGQFRGJBVYAX-UHFFFAOYSA-N
-rxn:4:199653:224343,Cc1cc([N+](=O)[O-])c(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1cncc(-c2cccc(C(F)(F)F)c2)c1,UKJVMERUFRNSHD-UHFFFAOYSA-N
-rxn:4:199669:224713,CCCCOc1ccc(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)c(C(F)(F)F)c1,XAMNQDNCQFUPAB-UHFFFAOYSA-N
-rxn:4:199713:222629,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,WRTGAWMKKDAZOA-UHFFFAOYSA-N
-rxn:4:199740:224778,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(-c3c(F)cc(OC4CCOCC4)cc3F)cc2)CC1,RECMRUWYEPLNLQ-UHFFFAOYSA-N
-rxn:4:199743:222668,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,UWSQHTBIWZUGGU-UHFFFAOYSA-N
-rxn:4:199770:224295,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Oc2ccccc2[N+](=O)[O-])cc1,ZKMAZYHOKABWGR-UHFFFAOYSA-N
-rxn:4:199783:223605,CN(Cc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1N1CCOCC1)C(=O)OC(C)(C)C,TZDUZTSFGNIOQC-UHFFFAOYSA-N
-rxn:4:199790:222912,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)NCC(C)C)cc1,YFKWRDWQHRJTJD-UHFFFAOYSA-N
-rxn:4:199825:226183,CN(Cc1ccc(-c2cnccc2C2CCCCC2)cc1N1CCCCC1)C(=O)OC(C)(C)C,UFGKLQDUAOVNGD-UHFFFAOYSA-N
-rxn:4:199828:227271,CCOc1cc(OC)cc(-c2cccc(Cl)c2CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1,CXXZDWVZTCMRQG-UHFFFAOYSA-N
-rxn:4:199846:224254,CCOc1ccc(-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,HFZFGAUEXAVXFZ-UHFFFAOYSA-N
-rxn:4:199865:223166,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,AACGUGYIORLLTE-HHHXNRCGSA-N
-rxn:4:199865:223184,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,FMBJSFRYGSKOHK-AREMUKBSSA-N
-rxn:4:199882:224836,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2c3ccccc3cc3ccccc23)cc(C(C)(C)C)c1,XQCCRKRNCNPMAD-RPBOFIJWSA-N
-rxn:4:199958:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCC(CC(=O)OC)CC2)c1,UJERKLCHQHUVMB-UHFFFAOYSA-N
-rxn:4:199961:222948,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2n1,IHQFOOPHOPWWHF-UHFFFAOYSA-N
-rxn:4:199963:225318,CCOC(=O)C(C)(C)Sc1nc2c(c(=O)n1-c1ccc(-c3c(F)cc(N4CCOCC4)cc3F)cc1)SCC2,JGUFLGZTYGAOMW-UHFFFAOYSA-N
-rxn:4:199965:222748,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cccc(C(=O)NCC5CCCO5)c4)cc32)SC1=S,SMSIKFHWEFFQNI-UHFFFAOYSA-N
-rxn:4:199981:224696,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(Cl)c(-c5cccc(OC)c5)c4)cc32)SC1=S,XEKGMHFOPRWBSF-UHFFFAOYSA-N
-rxn:4:199999:223181,CCNS(=O)(=O)c1cccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)c1,BRFWRRPBWHETFU-UHFFFAOYSA-N
-rxn:4:199999:225436,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2ccn1C(=O)OC(C)(C)C,RNUDDBJYBJAPRP-UHFFFAOYSA-N
-rxn:4:199999:227438,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccnc(C4CCOC4)c3)cc2ccn1C(=O)OC(C)(C)C,WIZRMSKXDCWZJR-UHFFFAOYSA-N
-rxn:4:200001:224569,O=C(CCc1ccccc1-c1cc(F)cc(OCC2CCCCC2)c1)N1C2CCC1CC(Oc1ccncc1)C2,JUNCCOFFHSKZKZ-UHFFFAOYSA-N
-rxn:4:200016:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)c1,NPJXTXGYZBNPDW-UHFFFAOYSA-N
-rxn:4:200026:223449,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cc(=O)[nH]cc4F)cc3)C(=O)N2C1c1ccc(OC)cc1,KPBCWQRKQVMQIW-UHFFFAOYSA-N
-rxn:4:200038:222583,CC(C)(C)[Si](OCc1nn2c(c1-c1ccc(C(=O)NCCN3CCOCC3)cc1)CCC2)(c1ccccc1)c1ccccc1,CJJQZQGMTSESJL-UHFFFAOYSA-N
-rxn:4:200057:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,CXWGJGFGTCPPLY-UHFFFAOYSA-N
-rxn:4:200107:224326,CCOC(=O)c1cc(C#N)c(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c([N+](=O)[O-])c1,FVIIGZIDTDOREY-UHFFFAOYSA-N
-rxn:4:200119:224316,COC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,JQSFLGWAJGNNQZ-UHFFFAOYSA-N
-rxn:4:200149:224804,COC(=O)C(C#N)c1cc(-c2ccc(OC(C)C)c(OC(F)(F)F)c2)c(Cl)cc1[N+](=O)[O-],WBCXEDSWFUGGBI-UHFFFAOYSA-N
-rxn:4:200170:223497,CCC(CC)COc1n[nH]cc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,KWQHACMWDIMLMK-UHFFFAOYSA-N
-rxn:4:200335:222943,CCOC(=O)N1CCC(Oc2ncccc2-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1,OEHGMDBHGTUSFQ-UHFFFAOYSA-N
-rxn:4:200340:226794,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)CC2)c(-c2cnc(N3CCSCC3)nc2)c1,BAXVMCTWSRADNS-UHFFFAOYSA-N
-rxn:4:200433:223504,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2)CC1,IIAWLNHZMGPJIZ-UHFFFAOYSA-N
-rxn:4:200441:225192,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(OC2CCCCC2)ncc1F,IOAUZIKGRAJIPB-UHFFFAOYSA-N
-rxn:4:200470:225543,CCCCC(=O)c1ccc(F)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2C)c1,FLBAIHMIAGRPBO-UHFFFAOYSA-N
-rxn:4:200475:224462,COCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)CC1,RCXKOPSCTXAJSP-UHFFFAOYSA-N
-rxn:4:200476:225975,CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,DWHKUDDOWKGBJT-KRWDZBQOSA-N
-rxn:4:200478:224619,Cc1cc(-c2ccc(OCCN3CCCC3)c(F)c2)cnc1OC1CN(C(=O)OC(C)(C)C)C1,FJFDSTVDTHKBNT-UHFFFAOYSA-N
-rxn:4:200499:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)o1,GXGIXOWGVOISEL-UHFFFAOYSA-N
-rxn:4:200512:225593,COc1ccc([N+](=O)[O-])cc1N1C(=O)CC(Sc2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)C1=O,DDZOCVCBKRBDPG-UHFFFAOYSA-N
-rxn:4:200598:223139,CCOc1ccc(-c2ccc(C3CCNCC3)nc2)cc1S(=O)(=O)N1CCN(CC)CC1,XXGQFAPGWVFYBX-UHFFFAOYSA-N
-rxn:4:200598:224256,CCOc1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1S(=O)(=O)N1CCN(CC)CC1,WAMGFOFZIRQALV-UHFFFAOYSA-N
-rxn:4:200643:223529,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)nc2)CC1,POBMNJGFOOEYEE-UHFFFAOYSA-N
-rxn:4:200643:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,PFQQMIUVMWQGIF-UHFFFAOYSA-N
-rxn:4:200646:222904,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(NC(=O)OC(C)(C)C)nc3)c2)CC1,WGTQYAHBQHHQBS-UHFFFAOYSA-N
-rxn:4:200647:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,LEURCPYZHUGUOG-UHFFFAOYSA-N
-rxn:4:200648:223773,COc1cccc2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,LHHVJAXVPPBDAH-UHFFFAOYSA-N
-rxn:4:200655:225302,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(F)(F)F)ncc3C(C)(C)C)cc2C#N)CC1,QLUUQLMZYNAXSH-UHFFFAOYSA-N
-rxn:4:200658:228163,CCOc1ccc(Cl)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,SFHIILCVWOQJFE-UHFFFAOYSA-N
-rxn:4:200705:225767,CC(C)COc1c(F)cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1F,VJVFHMGNOKUUJR-UHFFFAOYSA-N
-rxn:4:200717:227250,CCCOc1cc(Cl)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C,RRCXULVQPGZEEI-UHFFFAOYSA-N
-rxn:4:200719:225260,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)c(C)cc2C)CC1,PRDGREOZHZADRS-UHFFFAOYSA-N
-rxn:4:200728:223959,CCN1CCN(C(=O)c2cc(-c3ccc(F)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,BKLHAVPRFZZVQG-UHFFFAOYSA-N
-rxn:4:200750:224010,COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)o2)cc1,ULNRFIFARUKXRE-UHFFFAOYSA-N
-rxn:4:200756:225986,COC1CCN(C2CN(C(=O)Cc3ccc(-c4ccccc4N4CCCS4(=O)=O)cc3)C2)CC1,ADVATOPJCAXQIY-UHFFFAOYSA-N
-rxn:4:200761:223279,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,ZUEDWJVEMWBBJN-UHFFFAOYSA-N
-rxn:4:200807:223279,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1cnc(C2CCCN2)nc1,KNMYAAWOTDEBQC-UHFFFAOYSA-N
-rxn:4:200854:229084,COC(=O)C1CCCN(Cc2ccc(-c3scnc3C(C)C)cc2N2CCOCC2)C1,YIQVTEORKFIKFV-UHFFFAOYSA-N
-rxn:4:200866:224405,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1,NAFYOYBBFPIAKF-UHFFFAOYSA-N
-rxn:4:200867:223286,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1cccc(NS(C)(=O)=O)c1,RGNNKMBMCCYGAK-UHFFFAOYSA-N
-rxn:4:200872:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,HQRBLNFVQUXMHI-HXBUSHRASA-N
-rxn:4:200880:225499,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C5CCCCC5)cc4F)cc3)CC2)CC1,BRSMVBHXSDGGQG-UHFFFAOYSA-N
-rxn:4:200884:222661,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc(C(=O)Nc4ccccc4)ccc3F)cc1)C2,QWSGENCTOSYGCP-UHFFFAOYSA-N
-rxn:4:200887:223831,COc1ccccc1C1CC(c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,ZWGRDDUNCWFUTI-UHFFFAOYSA-N
-rxn:4:200895:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)c1F,BLVLJZPKJQQVME-UHFFFAOYSA-N
-rxn:4:200901:227776,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4cc(C(F)(F)F)cnc4Cl)cc3)C2=S)c1,ASGNRTUHHDHAAP-UHFFFAOYSA-N
-rxn:4:200902:224891,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(N5CCCC5)ccc4C4CC4)cc2)CC3)cc1,UIPBXNZACOPVPV-UHFFFAOYSA-N
-rxn:4:201030:223184,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4cnc(N5CCNCC5)nc4)ccc3oc2=O)CC1,FHYGUWJNOZRIHJ-UHFFFAOYSA-N
-rxn:4:201030:225372,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3oc2=O)CC1,IQBNOEJLZPEDFT-UHFFFAOYSA-N
-rxn:4:201081:224682,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(C(=O)N4CCCCC4)c(Cl)c3)ccc21,SANCEDNYCJZUCQ-UHFFFAOYSA-N
-rxn:4:201100:224906,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cccc(-c4cccc(C(=O)c5ccccc5)c4)c3)N2C1=O,DBLSLFOWQPVAQG-UHFFFAOYSA-N
-rxn:4:201120:225869,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3)C(=O)N2C1c1ccccc1,OIDNYCCNYYZJKD-UHFFFAOYSA-N
-rxn:4:201121:224680,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2cc(C(=O)N3CCCCC3)ccc2F)N2C(=O)CCSC2=N1,ORTUHWPEHCETKT-UHFFFAOYSA-N
-rxn:4:201133:229203,CCc1ccsc1-c1ccc2c(c1)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2=O,NRGPNGXHICNHIP-UHFFFAOYSA-N
-rxn:4:201143:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)CC1,JXSIKYJPRCLMKX-UHFFFAOYSA-N
-rxn:4:201158:225312,COc1cc2nc3n(c(=O)c2cc1OC)C(CS(=O)(=O)c1ccc(-c2cnc(N4CCCN(C)CC4)nc2)cc1)CS3,WZALMLDRKZWKIA-UHFFFAOYSA-N
-rxn:4:201171:222422,O=C(N1CCN=C1SCc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1)C12CC3CC(CC(C3)C1)C2,YVEPWJNIPKVMNK-UHFFFAOYSA-N
-rxn:4:201192:222637,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)ccc2OC3c2ccc(C(C)C)cc2)cc1,HIGZGOHBFNTUGS-UHFFFAOYSA-N
-rxn:4:201192:224279,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,KWGYCZPCQXGFQW-UHFFFAOYSA-N
-rxn:4:201425:223828,CCN1CCN(c2cc(-c3cc(Cl)cnc3C(=O)N(CC)CC)cc(C(F)(F)F)c2)CC1,KVMRRAGIEHZBPO-UHFFFAOYSA-N
-rxn:4:201596:222545,CN(C(=O)OC(C)(C)C)c1ccncc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,HETKLYPBRLTHSN-UHFFFAOYSA-N
-rxn:4:201608:223559,CCOC(=O)c1cnn(-c2ccc(C)cc2)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QEESYRHRXWYJHH-UHFFFAOYSA-N
-rxn:4:201632:222787,CCOC(=O)C1(C)CC(c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3Cl)cn2)=NO1,MENQBYRWRVRBFV-UHFFFAOYSA-N
-rxn:4:201672:225145,CCOC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccc(N2CCOCC2)c(C#N)c1,HUCZTDCEBARRFW-UHFFFAOYSA-N
-rxn:4:201729:222637,Cc1cc(N(C)C(=O)OC(C)(C)C)ncc1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,AMOSSGBBWXSIHT-UHFFFAOYSA-N
-rxn:4:201746:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccnc2OC2CCN(S(=O)(=O)C3CC3)C2)CC1,YPFDNZALWMCGCB-UHFFFAOYSA-N
-rxn:4:201778:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cccc(OCC(=O)N3CCN(C)CC3)c2)c1,JRYIKRWZSOTWQY-UHFFFAOYSA-N
-rxn:4:201784:222584,CCOC(=O)C1CCCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,CCIOYMGRFLIZSM-UHFFFAOYSA-N
-rxn:4:201816:222932,COCCNS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C)CC3)c2)cc1,CVEVQWMKGBZFFP-UHFFFAOYSA-N
-rxn:4:201843:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc([N+](=O)[O-])cc(F)c2OCC2CCN(C)CC2)ccc1OC,OJJHPWOXCAQBMJ-UHFFFAOYSA-N
-rxn:4:201906:223117,CCCNC(=O)c1ccc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1,WNOHXUVOQOMLIZ-UHFFFAOYSA-N
-rxn:4:201932:222944,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)ccn2)C1,HIHLUPWQZLUEBD-UHFFFAOYSA-N
-rxn:4:201943:222466,CCOC(=O)c1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)ccc1N1CCN(C)CC1,XFDKKXHGISELCZ-UHFFFAOYSA-N
-rxn:4:201950:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)c1,VFZJKZYAZWBHRR-UHFFFAOYSA-N
-rxn:4:201952:225219,CC1CCCCN1c1cc(F)c(-c2ccc(N3CCCC3)nc2C(=O)OC(C)(C)C)cn1,JUNPCMZEMXPZIM-UHFFFAOYSA-N
-rxn:4:201979:225740,CCCOc1c(Cl)cc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cc1OC,RKXXLVMXFLIYAB-UHFFFAOYSA-N
-rxn:4:201994:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCOCC4)n3)cn2)CC1,JBLIMTOYJYMOIR-UHFFFAOYSA-N
-rxn:4:201995:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccnc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,UWOPHPJOVOFFMX-UHFFFAOYSA-N
-rxn:4:201996:222584,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)C1,HQHLPWPSDWLLPU-UHFFFAOYSA-N
-rxn:4:201996:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccn1,WFKSRQFJJYAKMT-UHFFFAOYSA-N
-rxn:4:202003:225665,COc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1N1CCCCC1,XYCLUIHZRMPDBC-UHFFFAOYSA-N
-rxn:4:202006:222996,CCOc1cc(-c2ccc(F)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCN(C)CC1,WQENBFDIGNEZPM-UHFFFAOYSA-N
-rxn:4:202006:223063,CCOc1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,MIHFUZMEZGCYQK-UHFFFAOYSA-N
-rxn:4:202008:223009,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(Cl)cc(C2CCNCC2)c1,QHPXJIIRVOJMIZ-UHFFFAOYSA-N
-rxn:4:202010:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,ZAETUPUCJYTSFZ-UHFFFAOYSA-N
-rxn:4:202015:222584,CC(C)(C)OC(=O)c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOCC1,NRDSVSGGQGYELY-UHFFFAOYSA-N
-rxn:4:202087:223529,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)cc1[N+](=O)[O-],QNURSDAXOPZDJX-UHFFFAOYSA-N
-rxn:4:202103:223592,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,ZFQWIANCDXQSMP-UHFFFAOYSA-N
-rxn:4:202105:225389,CCC(C)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc(C2CC2)c1,LRKKVXHXOKCZIJ-UHFFFAOYSA-N
-rxn:4:202124:223093,COc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1cncc(NS(=O)(=O)C(C)C)c1,IILKVECWEPOHDM-UHFFFAOYSA-N
-rxn:4:202136:223802,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)CC1,FTIGIJILUOIUGP-UHFFFAOYSA-N
-rxn:4:202144:222604,COc1ccc(-c2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)o2)cc1S(=O)(=O)NC1CCCC1,SEGTVBCZNDCUMG-UHFFFAOYSA-N
-rxn:4:202166:226421,O=S(=O)(C1CC1)N1CCCN(Cc2cccc(-c3ccc(Cl)cc3N3CCCC3)c2)CC1,SAPOPTYQACJHAW-UHFFFAOYSA-N
-rxn:4:202171:222782,Cc1cc(-c2ccc(C3=NN(C(=O)c4ccco4)C(C(C)(C)C)C3)cc2)cnc1NC(=O)OC(C)(C)C,MTYIFIFRSSLBSY-UHFFFAOYSA-N
-rxn:4:202178:223492,Cc1cccc(OC2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)CC2)n1,VPGJIBCWGQRFHN-UHFFFAOYSA-N
-rxn:4:202204:225283,CCC(C)c1cc(-c2cccc(N3CC(C(=O)N4CCC(CF)CC4)CC3=O)c2)cnc1C(F)(F)F,ZQYWBDZCXAHUMC-UHFFFAOYSA-N
-rxn:4:202207:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1,RODOZCGSPXDDLX-UHFFFAOYSA-N
-rxn:4:202275:224384,COC1CCN(C2CCN(C(=O)c3cc(-c4ccc(-n5cc(C)cn5)cc4C(F)(F)F)ccc3Cl)CC2)C1,RFZUUMVIDMVPCR-UHFFFAOYSA-N
-rxn:4:202285:226685,COC1CCN(Cc2ccc(-c3cnc(C4CCOCC4)nc3)cc2N2CCCC2)CC1,FOWSSSSBBGYUBP-UHFFFAOYSA-N
-rxn:4:202292:225724,CN(C)CCOc1ccc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)cc1F,NGYMHPXYKVEFAR-UHFFFAOYSA-N
-rxn:4:202310:227237,CCOC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,NAZPFMWECGIZIT-UHFFFAOYSA-N
-rxn:4:202312:225265,CCCCOc1c(F)cc(F)c(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)c1F,JVZMQEDTNHVBQT-UHFFFAOYSA-N
-rxn:4:202323:223595,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,BDLAUGJVBWCRLK-UHFFFAOYSA-N
-rxn:4:202328:222753,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCc4cccs4)c3)CC2)CC1,OLMVRODQONXPNG-UHFFFAOYSA-N
-rxn:4:202328:229086,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(C)=O)s3)CC2)CC1,RWAQWBRBSZOASV-UHFFFAOYSA-N
-rxn:4:202335:224405,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)=NC23CCCCC3)cc1,XAVGGTHFQFGDCH-UHFFFAOYSA-N
-rxn:4:202355:225296,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C)CC1,WSNAKGPNQIPIAA-UHFFFAOYSA-N
-rxn:4:202491:223974,CC1CCN(c2ccc(-c3cc4c(cc3[N+](=O)[O-])N(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c2)CC1,MGASOZMRIDKLQQ-UHFFFAOYSA-N
-rxn:4:202594:222724,CCOC(=O)c1cnc2c(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cccc2c1N1CCCCC1,VHVSLFBMPPIBDU-UHFFFAOYSA-N
-rxn:4:202620:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)cc1,JXRUXKYOSILMBD-SFHVURJKSA-N
-rxn:4:202620:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c1)C(C)C,PBDZYUBYAXWQOK-UHFFFAOYSA-N
-rxn:4:202648:225572,COC(=O)c1ccc(C2CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1,ZAYFYAQIJHYDPY-UHFFFAOYSA-N
-rxn:4:202654:222845,CC(c1ccc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1)N1CCNCC1,CSENSJHTERPQFP-UHFFFAOYSA-N
-rxn:4:202683:224679,O=C(Cc1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,BGHJPVWFISHYOE-UHFFFAOYSA-N
-rxn:4:202686:228742,CCOC(=O)N1CCC(N2Cc3cc(-c4cc(Cl)cc(C#N)c4)ccc3OCC2=O)CC1,OZLHRCSHPAJUKZ-UHFFFAOYSA-N
-rxn:4:202713:222496,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(S(=O)(=O)NCCc5ccccc5)cc4)ccc3C2=O)CC1,TYKKCUYTHFEWJT-UHFFFAOYSA-N
-rxn:4:202727:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(CC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)c1,IIXSCGXOYQKEGY-UHFFFAOYSA-N
-rxn:4:202728:224421,CC(C)c1cc(C(C)C)c(-c2ccc(CC(=O)N3CCC(N4CCc5ccccc5C4)C3)cc2)c(C(C)C)c1,VVBJXHKFYYTUGY-UHFFFAOYSA-N
-rxn:4:202730:224410,COc1ccccc1N1CCN(C(=O)c2oc3ccc(-c4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3c2C)CC1,BOSXWKBWZZNDNB-UHFFFAOYSA-N
-rxn:4:202750:225772,COc1c(Cl)cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCC(C)CC4)cnc4ccc(F)cc34)cc2)cc1OC(C)C,MDJWTVCGWOCUOO-UHFFFAOYSA-N
-rxn:4:202755:225979,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(N5CCOCC5)c(Cl)c4)ccc3OCC2=O)CC1,QIUHJMMGOJLTMN-UHFFFAOYSA-N
-rxn:4:202805:225521,CCCCOc1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)c2)ccc1OC,ZFEHXLNEBZZEOX-UHFFFAOYSA-N
-rxn:4:203225:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c3)c2)CC1,SYKOGBXJQNAFQY-UHFFFAOYSA-N
-rxn:4:203314:223568,COC(=O)c1nn(C2CCOC2=O)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,ITRYJSVIBADBIY-UHFFFAOYSA-N
-rxn:4:203492:222439,COc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)n2)cc1,QDKOJEXGRSJBTR-UHFFFAOYSA-N
-rxn:4:203504:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ncccc3/C=N/[S@](=O)C(C)(C)C)cc12,LRKRRFHPWFCEOJ-SVQFBTOSSA-N
-rxn:4:203544:224572,CC1CCCN(c2ccc(-c3cc([N+](=O)[O-])ccc3C(=O)N3CCC(F)(F)C3)c(C#N)c2)C1,JTQRKBVFOPNZMK-UHFFFAOYSA-N
-rxn:4:203567:222538,COC(=O)c1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)nn1C1CCCCO1,CSEIIYAETJNHAJ-UHFFFAOYSA-N
-rxn:4:203708:224810,O=C(c1ccccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,LIPBIQCBPGAIFK-UHFFFAOYSA-N
-rxn:4:203712:222430,O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1,MRVISTPCASRGCU-UHFFFAOYSA-N
-rxn:4:203712:223166,O=S(=O)(c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)N1C=CC(C(F)(F)F)=NCC1,CBGBSLFXNYZRNQ-UHFFFAOYSA-N
-rxn:4:203712:223167,O=S(=O)(c1ccc(-c2ccnc(N3CCNCC3)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,VJNKZIYEBKNHAO-UHFFFAOYSA-N
-rxn:4:203712:223168,O=S(=O)(c1ccc(-c2cccnc2N2CCNCC2)cc1)N1C=CC(C(F)(F)F)=NCC1,AGWSODLJFZEYOC-UHFFFAOYSA-N
-rxn:4:203712:223184,O=S(=O)(c1ccc(-c2cnc(N3CCNCC3)nc2)cc1)N1C=CC(C(F)(F)F)=NCC1,GHKZIFHMXCRVAH-UHFFFAOYSA-N
-rxn:4:203712:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,BPHCEVFATRDKPG-UHFFFAOYSA-N
-rxn:4:203712:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,CODFBDSQHSRWAC-UHFFFAOYSA-N
-rxn:4:203757:225470,CC1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)cc2)CC1,FJQXQMBHMIHQFK-UHFFFAOYSA-N
-rxn:4:203788:223534,COc1cc(-c2cc(C)nc(S(C)(=O)=O)n2)c(Cl)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,MTNXUCVNXRBCRJ-UHFFFAOYSA-N
-rxn:4:203807:222697,CN1CCN(C(=O)Cc2cccc(-c3ccc(Cl)c(C(=O)N4CCC(O)CC4)c3)c2)CC1,LPLGDVKPBNHVGH-UHFFFAOYSA-N
-rxn:4:203862:223993,Cc1cc(-c2cccc(CCN3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,OCZHNERCOICGEL-UHFFFAOYSA-N
-rxn:4:203881:222442,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)n2)CC1,DKNHKGKCQJQNFU-UHFFFAOYSA-N
-rxn:4:203881:223840,COc1ccc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,QIPYNYFHVUGQOK-UHFFFAOYSA-N
-rxn:4:203884:222804,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,BQAOVEPECYIJIG-UHFFFAOYSA-N
-rxn:4:203884:222826,CN1CCN(S(=O)(=O)Cc2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,BTXIXJUSQRZILR-UHFFFAOYSA-N
-rxn:4:203887:222389,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,VUZYVXNXIXKHRM-UHFFFAOYSA-N
-rxn:4:203938:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,JTVCARGEPBRAGL-UHFFFAOYSA-N
-rxn:4:203940:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1,ICRBTWBRTAZTAZ-UHFFFAOYSA-N
-rxn:4:203958:224255,CCN1CCN(C(=O)c2cc(C)cc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)c2)CC1,ZSEGETUAOFAPJT-UHFFFAOYSA-N
-rxn:4:203987:226503,CON(C)C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,WVVUQUAPQNGVTO-UHFFFAOYSA-N
-rxn:4:204015:224723,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N(CC)CC)cc3C)ccc2C)CC1,RSDFIBAXSRCHFX-UHFFFAOYSA-N
-rxn:4:204025:222693,CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2S(C)(=O)=O)CC1,CARFOKIOJCRQGD-UHFFFAOYSA-N
-rxn:4:204025:222783,CN1CCN(Cc2ccc(-c3ccc(Cl)c(NC(=O)OC(C)(C)C)c3)cc2S(C)(=O)=O)CC1,HLJGREXGFOASOU-UHFFFAOYSA-N
-rxn:4:204071:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(CN2CCOCC2)c(N2CCCC2)c1,PNPXKSJWCLXMPF-UHFFFAOYSA-N
-rxn:4:204074:223810,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)CC1,UNXVUHNGZGAQLP-UHFFFAOYSA-N
-rxn:4:204098:224255,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)CC1,KDJOLIIKLQKHIC-UHFFFAOYSA-N
-rxn:4:204109:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)CC1,SOFOMDFTIANUOB-UHFFFAOYSA-N
-rxn:4:204109:224536,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccc(OCc3cccc(F)c3)c2)CC1,WHSJNHBMNFDDGP-UHFFFAOYSA-N
-rxn:4:204111:224407,O=C1C(=Cc2ccc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)cc3)o2)SC(=S)N1N1CCOCC1,MCQZTCRSEMBHQP-UHFFFAOYSA-N
-rxn:4:204114:222806,CCCNC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc([N+](=O)[O-])c1,HZLXQYVLGUVZTR-UHFFFAOYSA-N
-rxn:4:204114:226558,CCCOc1c(F)ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c1F,RUICWUYDSHHNMG-UHFFFAOYSA-N
-rxn:4:204122:224406,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)nc2)cc1,FYDTVMPCTGTNIE-UHFFFAOYSA-N
-rxn:4:204127:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cs1,NNFRVCGBXPYTGD-UHFFFAOYSA-N
-rxn:4:204153:222827,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(S(=O)(=O)NC5CC5)cc4F)c(C)c3)CC2)cc1,UQLLETRCXDAIAS-UHFFFAOYSA-N
-rxn:4:204155:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(c5ccccc5)CC4)c(C)cc3C)cc2)CC1,KEQNRPRZGJLPGY-UHFFFAOYSA-N
-rxn:4:204169:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(CN2CCOC(C)C2)c(N2CCCCC2)c1,YMYMEBOSRWVWIH-UHFFFAOYSA-N
-rxn:4:204186:224405,Cc1cccc(N2CCN(S(=O)(=O)c3c(C)cc(C)c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)c3C)CC2)c1C,NABNPHVUMVCYKV-UHFFFAOYSA-N
-rxn:4:204267:223540,CCOC(=O)c1cc2[nH]cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc-2n1,QLFLXFUZIZFINX-UHFFFAOYSA-N
-rxn:4:204350:222537,COCn1ncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1C12COCC1O2,XTXKCOKGTFTZNV-UHFFFAOYSA-N
-rxn:4:204397:223522,COC(OC)c1ncnc2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc12,VSQWWVBVAVAQNZ-UHFFFAOYSA-N
-rxn:4:204514:223841,Cc1cc(F)c(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCN(C)CC1,BMMLBZYKMPGJHY-UHFFFAOYSA-N
-rxn:4:204528:226016,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3ccc(OCC(F)(F)F)cc3Cl)C(=S)N21,IBVSWMSYCIJDFH-UHFFFAOYSA-N
-rxn:4:204557:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)OCCN3C(=O)OC(C)(C)C)c(F)c1,VTSPVDVHKPDVJJ-UHFFFAOYSA-N
-rxn:4:204558:223902,Cc1nn(C(=O)OC(C)(C)C)c2cc(Cl)cc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)c12,GLGLKQHFFLOTJO-UHFFFAOYSA-N
-rxn:4:204568:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(Cl)c3cccnc3c2OC(=O)N2CCOCC2)CC1,NCKCLTQNBNUMNR-UHFFFAOYSA-N
-rxn:4:204585:224936,CC(C)(C)OC(=O)Cc1ccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,OUMSJUJXTRMVSY-UHFFFAOYSA-N
-rxn:4:204596:223771,COc1ccc2c(c1)cc(-c1ccc3c(n1)N(C(=O)OC(C)(C)C)CCC3)n2C(=O)OC(C)(C)C,CUQOBCQSLVDDQZ-UHFFFAOYSA-N
-rxn:4:204615:223996,CN1CCN(c2ccc(-c3cc(Cl)c4cccnc4c3OC(=O)N3CCCCC3)c(C(F)(F)F)c2)CC1,KIZLWDKBZFTTDO-UHFFFAOYSA-N
-rxn:4:204682:224291,Cc1cc2c(c(-c3ccc(OCCN4CCOCC4)c(F)c3)n1)CN(C(=O)OC(C)(C)C)CC2,DIOSNKRVSLWISV-UHFFFAOYSA-N
-rxn:4:204690:222729,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=S)N(CCC)C2=O)C(=O)N3CC)cc(C2CCCNC2)n1,ASFAYEWBBAOVPG-UHFFFAOYSA-N
-rxn:4:204693:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)cc1F,VNTBKUHBGDZAMD-UHFFFAOYSA-N
-rxn:4:204694:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)cc1,ADKNVLMXEOICRX-UHFFFAOYSA-N
-rxn:4:204722:223109,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(C(C)NC3CC3)cc2)c1,PCNTVBGIVDRXQV-UHFFFAOYSA-N
-rxn:4:204740:222587,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)ccc21,CPNNJKSTLUKUMN-UHFFFAOYSA-N
-rxn:4:204780:226017,COc1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1OC(F)(F)F,VNIYNYGQUMDCIJ-UHFFFAOYSA-N
-rxn:4:204831:226521,COc1cc(OC)c(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)cc2)c(OC)c1,YRDMBLSXLWNURX-UHFFFAOYSA-N
-rxn:4:204836:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)c(C)c1,ALALFMAYXXFMKK-UHFFFAOYSA-N
-rxn:4:204860:222863,CCCCNC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)ccc1Cl,QZJAVEGFIUKRNX-UHFFFAOYSA-N
-rxn:4:204860:224768,COc1ccc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,PLFDEDPPKSVEAD-UHFFFAOYSA-N
-rxn:4:204860:228404,COc1ccc(-c2ccc(F)c(OC)c2Cl)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,NEPVLSIRCOFQEJ-UHFFFAOYSA-N
-rxn:4:204873:223508,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c3ccccc23)CC1,AIOQWAHLSGNZPC-UHFFFAOYSA-N
-rxn:4:204900:223993,Cc1cc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)ccc1S(=O)(=O)N1CCN(C)CC1,ICOAEHIUHADYTC-UHFFFAOYSA-N
-rxn:4:204955:223077,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)NC5CC5)cc4)ccc2OC3C2CCCCC2)cc1,VVSZQPBWDVNBPV-UHFFFAOYSA-N
-rxn:4:205655:223521,CC(c1cccc(-c2cncc(C(=O)N3CCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KZBAOHHCSCSONC-UHFFFAOYSA-N
-rxn:4:205953:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccnc3N3CC(C(F)(F)F)C3)c2)CC1,LTKYFFKQOWNNIU-UHFFFAOYSA-N
-rxn:4:205957:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1,YLCPZRVYZZFGKN-UHFFFAOYSA-N
-rxn:4:206200:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(C(=O)N4CCCC4)c3)cc2[N+](=O)[O-])CC1,HRWFRDVLCMCVIP-UHFFFAOYSA-N
-rxn:4:206248:223815,N#Cc1c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cccc1N1CCC(F)(F)C1,KBJWXTAZWMXLOW-UHFFFAOYSA-N
-rxn:4:206388:222439,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)N1CCSCC1,KJBYLRHCHYHXBT-UHFFFAOYSA-N
-rxn:4:206419:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)nc3)c(F)c2)CC1,WWHABTCMGYKPKC-UHFFFAOYSA-N
-rxn:4:206444:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)ccn2)CC1,RUIORYOLAMSGSV-UHFFFAOYSA-N
-rxn:4:206456:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])c(N4CCC(F)(F)C4)c3)s2)CC1,IBHSHOZIPOLNMW-UHFFFAOYSA-N
-rxn:4:206471:224745,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCC(F)(F)C3)c(C(F)(F)F)c2)c(F)cc1Cl,YEMWJIJWCIZIGA-UHFFFAOYSA-N
-rxn:4:206522:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)nc1,ZRHFPNCCYNFYJZ-UHFFFAOYSA-N
-rxn:4:206603:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C(=O)N2CCCC2)c(C)c1,YTJDEGHVNJUWMM-UHFFFAOYSA-N
-rxn:4:206704:223901,CC1CCN(CCOc2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCCC3)cc2Cl)CC1,RIWGWFNGCMSBQI-UHFFFAOYSA-N
-rxn:4:206708:223828,CCN1CCN(c2cc(-c3cncc(S(=O)(=O)N4CCCCC4)c3)cc(C(F)(F)F)c2)CC1,QFEUMNXYXMJFOL-UHFFFAOYSA-N
-rxn:4:206729:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(N2CCC(C(F)(F)F)CC2)n1,FOIRWUJOOMVVEF-UHFFFAOYSA-N
-rxn:4:206737:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,RBNFDCJTKITTQV-UHFFFAOYSA-N
-rxn:4:206759:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)c2)CC1,JMTBFJXBKVKGTK-UHFFFAOYSA-N
-rxn:4:206793:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(S(N)(=O)=O)ccc3N3CCOCC3)c2)CC1,UBPFUWDWQJKNCI-UHFFFAOYSA-N
-rxn:4:206819:223844,O=C1C(=Cc2ccccn2)SC(=S)N1c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1,QBHUHJFDRXHWHB-UHFFFAOYSA-N
-rxn:4:206848:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(N4CCCCCC4)c3C#N)cnc21,FDCJNYGQKHKFIP-UHFFFAOYSA-N
-rxn:4:206876:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(-c4csc(N5CCOCC5)n4)cc3)c(F)cn2)CC1,HDLXHICOMNPNEE-UHFFFAOYSA-N
-rxn:4:206898:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C2CCCCO2)c(C(C)C)n1,XPAITEFJOQSZAY-UHFFFAOYSA-N
-rxn:4:206936:223972,Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1-c1ccc(N2CCCCC2C)cc1C(F)(F)F,AUBXIMMSKHPMLX-UHFFFAOYSA-N
-rxn:4:206936:224375,Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,BBPSSJYAFCMJLM-UHFFFAOYSA-N
-rxn:4:206944:224018,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)nc2)CC1,FXOWZQWTMUXREW-UHFFFAOYSA-N
-rxn:4:206955:222432,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2)CC1,WTMMIFJSPWUUOL-UHFFFAOYSA-N
-rxn:4:206961:222514,COc1ccc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)NC1CCCCC1,JRTHKYGGPSHUTI-UHFFFAOYSA-N
-rxn:4:206964:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,VYVWTVYIJGCMGB-UHFFFAOYSA-N
-rxn:4:206967:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(C)CC3)c2)cc1C,LIFCAOWCVZXMAS-UHFFFAOYSA-N
-rxn:4:206981:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,FJUGSVIUVLCYNL-UHFFFAOYSA-N
-rxn:4:206981:224771,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)cc1S(=O)(=O)N1CCCC1,AVQDPDVJOWLEJD-UHFFFAOYSA-N
-rxn:4:206981:224773,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)ccc1S(=O)(=O)N1CCCC1,QEEZBLDVMVKSJT-UHFFFAOYSA-N
-rxn:4:207019:224732,Cc1cc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc(C(=O)N2CCN(C)CC2)c1F,QJCOMLXTWLBRQX-UHFFFAOYSA-N
-rxn:4:207073:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,FSXSFSPTAUXQDG-UHFFFAOYSA-N
-rxn:4:207081:225889,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccnn3COCC[Si](C)(C)C)c1)C2,CBMQKGUYFDHYJX-UHFFFAOYSA-N
-rxn:4:207401:222523,COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)nc2n1CCCC2,RXDVIUFHANLPDX-UHFFFAOYSA-N
-rxn:4:207446:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CC5CC4CO5)c3)cc2)CC1,QVOQOKXGBQEGTG-UHFFFAOYSA-N
-rxn:4:207447:223831,COc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCC(C)CC1,VMACWQGAUGVUHJ-UHFFFAOYSA-N
-rxn:4:207482:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(CC3SC4=NCCN4C3=O)cc2)c1,YNJXDFUAJGBLPW-UHFFFAOYSA-N
-rxn:4:207624:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cncc2c1CCN2C(=O)C(C)(C)C,LDNBJHOFVHOFFQ-UHFFFAOYSA-N
-rxn:4:207795:222514,COc1ccc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1S(=O)(=O)NC1CCCCC1,GSKAQJHYHFPIOV-UHFFFAOYSA-N
-rxn:4:207795:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cncc(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,WRTMIYRJTLDQMJ-UHFFFAOYSA-N
-rxn:4:207829:224460,O=C1N(c2ccc(F)cc2)C2CS(=O)(=O)CC2N1c1ccc(-c2cc(C3CC3)cc(N3CCCCC3)c2)cc1,OGUHKIXQJSSCTN-UHFFFAOYSA-N
-rxn:4:207849:223835,Cc1ccccc1N1C(=O)N(c2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)C2CS(=O)(=O)CC21,QNQWRCRMIJZVCB-UHFFFAOYSA-N
-rxn:4:207857:227886,CCCOc1ccccc1-c1ccc(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)o1,RYZXHHJOEJERJG-UHFFFAOYSA-N
-rxn:4:207857:228362,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cnc(Cl)nc3C3CC3)o2)CN(C)C1=O,MRLZEAJCWJEOEV-UHFFFAOYSA-N
-rxn:4:207858:223104,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc21,VCIYDXJAWZLZDE-UHFFFAOYSA-N
-rxn:4:207858:226784,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cnc(-n4cnc(C)c4)nc3)ccc21,PYLVQPJILAZZDK-UHFFFAOYSA-N
-rxn:4:208159:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)cnc3[N+](=O)[O-])cc2F)CC1,DSEBWMMBWBZWJY-UHFFFAOYSA-N
-rxn:4:208758:222426,Cc1n[nH]c(C2CC2)c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,OLVFKLPIHMEEFL-UHFFFAOYSA-N
-rxn:4:209608:223698,Cc1nc(N2CCOCC2)sc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,CLJKYXCRNQKHPT-UHFFFAOYSA-N
-rxn:4:209770:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccnc(N4CCC(F)(F)CC4)c3)c2)CC1,SCXOMOXFZBODTA-UHFFFAOYSA-N
-rxn:4:209785:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCC(F)(F)CC4)nc3)c2)CC1,KKFJDOUHWSZWFX-UHFFFAOYSA-N
-rxn:4:209788:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3N3CCCC(F)(F)C3)c2)CC1,RXOLKMDVSAGZNM-UHFFFAOYSA-N
-rxn:4:209790:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3N3CCC(F)(F)CC3)c2)CC1,QZPIZFDZBWTMLC-UHFFFAOYSA-N
-rxn:4:209835:223697,CC1CCN(c2cnccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,LCCDGELRDWTYCM-UHFFFAOYSA-N
-rxn:4:209845:223697,Cc1nccc(N2CCCCC2)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,MKXCNQCCZNUPCY-UHFFFAOYSA-N
-rxn:4:209849:223698,Cc1ccnc(N2CCCCC2)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,KHHUFGUICLWJBJ-UHFFFAOYSA-N
-rxn:4:209853:223697,CC1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,GUARIINRCXTLQP-UHFFFAOYSA-N
-rxn:4:209861:223491,CC1CCN(c2cncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c2)CC1,BOKKIUOJRCXMLK-UHFFFAOYSA-N
-rxn:4:209861:223697,CC1CCN(c2cncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)CC1,BCPRKNBYZRZFPM-UHFFFAOYSA-N
-rxn:4:209861:223698,CC1CCN(c2cncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c2)CC1,WAGGNMTVVRTWEH-UHFFFAOYSA-N
-rxn:4:209861:223699,CC1CCN(c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)CC1,SHFZYEVRYFYNKI-UHFFFAOYSA-N
-rxn:4:209862:223697,CC1CCN(c2ccncc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,PRDXOBCQVSXCRI-UHFFFAOYSA-N
-rxn:4:209862:223698,CC1CCN(c2ccncc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,YBQNLGKNOPCGBZ-UHFFFAOYSA-N
-rxn:4:209896:223953,COCCN1CCN(c2cc(F)cc(-c3cnn(C4CCOC5(CCOCC5)C4)c3)c2)CC1,UQVXCSXJSAAJEI-UHFFFAOYSA-N
-rxn:4:210453:223492,Cc1cc(-c2cnc3c(ccn3S(C)(=O)=O)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YEMTZAYTRIFJEB-UHFFFAOYSA-N
-rxn:4:210681:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)s2)CC1,NUCPSQSIKAFFOA-UHFFFAOYSA-N
-rxn:4:210690:222465,Cn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12COCCC1O2,CHRPDMMIDOSYNH-UHFFFAOYSA-N
-rxn:4:211100:223114,CCCNC(=O)c1cccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)c1,GNJNCSFRJGOXNY-UHFFFAOYSA-N
-rxn:4:212558:222740,CC(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(C2CCCNC2)n1,MGUXDXQMJVSTAZ-UHFFFAOYSA-N
-rxn:4:212584:223093,CC(C)N(Cc1nn(C)cc1-c1cncc(NS(=O)(=O)C(C)C)c1)C(=O)OC(C)(C)C,OYSPJZMPTYNEKL-UHFFFAOYSA-N
-rxn:4:212592:225223,CC1CCN(c2cc(F)c(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cn2)CC1,ZNSQZIPNDYYLQI-UHFFFAOYSA-N
-rxn:4:212604:223603,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)cc2)cc1[N+](=O)[O-],BCXFOBVWEYPJCV-UHFFFAOYSA-N
-rxn:4:212609:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)cc1,AXNQKXSCYDGCBC-UHFFFAOYSA-N
-rxn:4:212622:224593,CC1CCN(Cc2cc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)ccc2F)CC1,PIJCCWVJSRGINE-UHFFFAOYSA-N
-rxn:4:212630:222432,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,WWFQLKUJXGWCON-UHFFFAOYSA-N
-rxn:4:212642:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,VMWBTOXPNRZPQP-UHFFFAOYSA-N
-rxn:4:212643:222891,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(OC)nc(C5CCNCC5)c4)cn3)CC2)cc1,XLHVIDUVAQVTGJ-UHFFFAOYSA-N
-rxn:4:212649:225975,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,ZYQCJJYOUCORMK-UHFFFAOYSA-N
-rxn:4:212650:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,ZJRMOVAQHQPXBW-UHFFFAOYSA-N
-rxn:4:212665:222693,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1,OFOBIIJMRQGLTA-UHFFFAOYSA-N
-rxn:4:212667:224634,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OC)c(CN5CCOCC5)c4)cn3)C2)cc1,DGULKVTYYLKQPV-UHFFFAOYSA-N
-rxn:4:212692:223079,CC(C)NS(=O)(=O)c1cccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,LVBWNEMTAJMGRO-UHFFFAOYSA-N
-rxn:4:212697:222857,COc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4cccc(C)c4)C3)nc2)cc(C2CCNCC2)c1,JEAHDGOHSIZYCD-UHFFFAOYSA-N
-rxn:4:212711:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)c(Cl)c2)CC1,IDDADGSDWXOLJH-UHFFFAOYSA-N
-rxn:4:212716:222702,O=C(CSc1ncc(-c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1,XRJZDUVMODRXGN-UHFFFAOYSA-N
-rxn:4:212722:222721,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)cc2)C(=O)N2CCN(C)CC2)cc1,QLKAMQJGTJQKBM-UHFFFAOYSA-N
-rxn:4:212732:225299,Cc1cc(-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)cc(C)c1S(=O)(=O)N(C)C,OTUCBQFOFRBTBJ-UHFFFAOYSA-N
-rxn:4:212750:223494,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1N1CCCCC1,MSBJJPUHOONMLL-UHFFFAOYSA-N
-rxn:4:212770:223093,CCOC(=O)c1nn2c(c1-c1cncc(NS(=O)(=O)C(C)C)c1)CN(C(=O)OC(C)(C)C)CC2,PTIXTVIPXAPUJD-UHFFFAOYSA-N
-rxn:4:212771:222948,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2s1,MHMQCEUAUCMNIK-UHFFFAOYSA-N
-rxn:4:212779:224486,COC(=O)CS(=O)(=O)c1nnc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)n1-c1ccc(C2CC2)c2ccccc12,FRPFWLLXVXELHL-UHFFFAOYSA-N
-rxn:4:212782:224778,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2c(F)cc(OC3CCOCC3)cc2F)sc2cc(S(N)(=O)=O)ccc21,AVTOGWWLVQOXIG-UHFFFAOYSA-N
-rxn:4:212784:222509,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cc(F)cc(C(=O)Nc5cc(Cl)ccc5C)c4)ccc32)CC1,KIJFHATWMGWENB-UHFFFAOYSA-N
-rxn:4:212814:222581,CC(C)NS(=O)(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c2ccccc12,BXKVBCUXAAADDE-UHFFFAOYSA-N
-rxn:4:212814:225388,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc3c(c2)Cc2ccccc2-3)C1(C)C,BVKDUOCBVLQTDT-UHFFFAOYSA-N
-rxn:4:212824:222716,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5ccc(S(=O)(=O)NC6CCCC6)c(F)c5)cc4s3)CC2)cc(OC)c1OC,KPBZBIJILVCJBO-UHFFFAOYSA-N
-rxn:4:212831:225326,CCOC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)N(CC(=O)OC)C(CN2CCOCC2)=N3)c([N+](=O)[O-])c1,SUHAJWURMHZULQ-UHFFFAOYSA-N
-rxn:4:212846:222822,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)NC6CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,AIXMFCSKYJJZNG-UHFFFAOYSA-N
-rxn:4:212892:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnc(N(C(=O)OC(C)(C)C)C2CC2)nc1,LRBJOGGYVRQMOF-UHFFFAOYSA-N
-rxn:4:212938:223998,CCC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cn2)C1,LJUQAIWDNQJUTB-UHFFFAOYSA-N
-rxn:4:212963:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(OC4CCN(C(=O)OC(C)(C)C)C4)n3)cc2[N+](=O)[O-])CC1,PATRAZBYOFZNCB-UHFFFAOYSA-N
-rxn:4:212963:225320,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(N4CCOCC4)c(F)c3F)n2)C1,AVSZNTPKGJZCIS-UHFFFAOYSA-N
-rxn:4:212970:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CN(C(=O)OC(C)(C)C)C3)nc2C)c(Cl)c1,ZYWGLJZTPWJQQV-UHFFFAOYSA-N
-rxn:4:212991:223162,CNC(=O)c1ccc(OC)c(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,WORABOUMDDGYCW-UHFFFAOYSA-N
-rxn:4:212992:226853,COc1ccc(Cl)c(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1[N+](=O)[O-],LJNRYNMCKQZFOU-UHFFFAOYSA-N
-rxn:4:213028:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1,QFFIDUNAOZZUGV-UHFFFAOYSA-N
-rxn:4:213076:224128,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cn2)cc1,FFOAXCWQPBJOIP-UHFFFAOYSA-N
-rxn:4:213084:223712,COc1ccc(-c2cnc(OCC3CCCN(Cc4ccccc4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,OBSATDFAPPYRBF-UHFFFAOYSA-N
-rxn:4:213096:223184,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCNCC4)nc3)ccc2C#N)CC1,BBXCHGFPZLUPRR-UHFFFAOYSA-N
-rxn:4:213100:228010,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)ccc3C3CC3)c(C(F)(F)F)n2)CC1,XCZMRRWNHYBZDR-UHFFFAOYSA-N
-rxn:4:213131:225641,CC1CCCN(c2cc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)ccn2)C1,JJEMHEUGGFFDFL-UHFFFAOYSA-N
-rxn:4:213137:223175,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cccc(NS(=O)(=O)CC)c1,LBNKGFRHPVDWLS-UHFFFAOYSA-N
-rxn:4:213140:225730,CCCCOc1c(Cl)ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c2)c1F,UJUPMZBCFPLGIB-UHFFFAOYSA-N
-rxn:4:213145:222442,Cn1c(-c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2)cnc1SCC(=O)N1CCCCC1,PSGBTAAGOJHYQH-UHFFFAOYSA-N
-rxn:4:213192:228013,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(F)c(C4CC4)c3)n2)CC1,NCCYKLASJVVEGZ-UHFFFAOYSA-N
-rxn:4:213192:228294,CCCOc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,FOBSBPHYEZJNFA-UHFFFAOYSA-N
-rxn:4:213201:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2cc(C)ncn2)CC1,IJPRNZUPEAYQRD-UHFFFAOYSA-N
-rxn:4:213205:222723,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)C2)nc1,YBUCPDGILRIIEI-UHFFFAOYSA-N
-rxn:4:213217:227021,CCN1CCN(c2ncc(-c3ccc(C4(C#N)CC4)cc3)cc2C(=O)OC(C)(C)C)CC1,MLTOEVXNVAIEMN-UHFFFAOYSA-N
-rxn:4:213261:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)c1,HYZBPJOVRCWUDV-UHFFFAOYSA-N
-rxn:4:213264:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)c(F)c1,PHGHYHSECWLBTH-UHFFFAOYSA-N
-rxn:4:213266:228311,CCCc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)c(Cl)n1,ZTKANQCEOHWEBP-UHFFFAOYSA-N
-rxn:4:213278:222514,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(OC)c(S(=O)(=O)NC6CCCCC6)c5)cc4)C3)n2)c1,FJXILZJEUIBQNJ-UHFFFAOYSA-N
-rxn:4:213281:226416,Cc1onc(-c2ccccc2)c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,HDMXTBFPFNAWAG-UHFFFAOYSA-N
-rxn:4:213289:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,KZGFLEUPGQQUSF-UHFFFAOYSA-N
-rxn:4:213289:226750,COc1ccc(C(F)(F)F)cc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,KTJLONWBZLNPEF-UHFFFAOYSA-N
-rxn:4:213363:224669,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(CN6CCN(C)CC6)cc5F)c4)CC3)nc2c1,CJGFTDSBJSSZMG-UHFFFAOYSA-N
-rxn:4:213377:225568,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(C(C)(C)C(=O)OC)cc4)cc3)nc3ccccn3c2=O)SC1=S,CWTSVSAMGKGZNY-UHFFFAOYSA-N
-rxn:4:213391:223995,CCCCn1c(C2CC(=O)N(c3ccc(-c4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)cc3)C2)nc2ccccc21,QFOPYPLDEJSSST-UHFFFAOYSA-N
-rxn:4:213471:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cn1,YPHORGOVIJRJQT-UHFFFAOYSA-N
-rxn:4:213475:223279,COc1cc(-c2cnc(C3CCCN3)nc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,XPCOJXVIXXQYNR-UOFYHEFLSA-N
-rxn:4:213657:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn([C@H]3CON(C(=O)OC(C)(C)C)C3)c2)cc1,GHFLSLAVBVPAOS-GOSISDBHSA-N
-rxn:4:213663:224325,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,MQNZXATYLZZGHG-UHFFFAOYSA-N
-rxn:4:213664:224730,CCC(=O)N1CCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3OCC(C)C)cn2)CC1,PTZVOLQIBMFELW-UHFFFAOYSA-N
-rxn:4:213679:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnn(CC2CN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1,LOOZMNKAZQYKSM-UHFFFAOYSA-N
-rxn:4:213713:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)CC1,XMBDMLXZLHVJNO-QHCPKHFHSA-N
-rxn:4:213722:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OC2CCN(CC3CC3)CC2)nc1,RYJKZUHGPRKHCH-UHFFFAOYSA-N
-rxn:4:213737:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncn4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,TZFCIHSKOBJSAL-UHFFFAOYSA-N
-rxn:4:213756:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,QKUKBMYFSMQZED-UHFFFAOYSA-N
-rxn:4:213757:222583,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2)C1,FCRQAHXBVXCOBR-UHFFFAOYSA-N
-rxn:4:213788:224060,COc1c(C(C)(C)C)cc(-c2cccc(C(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)c2)cc1C(C)(C)C,UCLDLAVGXDAQFF-UHFFFAOYSA-N
-rxn:4:213840:222581,CC(C)NS(=O)(=O)c1ccc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)c2ccccc12,PSMGXJZLQNURCL-UHFFFAOYSA-N
-rxn:4:213877:222584,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,XJMDFAUSRPEALP-UHFFFAOYSA-N
-rxn:4:213884:224805,CCOC(=O)c1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C(F)(F)F)c1,KTDGIOSAZVNSIY-UHFFFAOYSA-N
-rxn:4:213887:225004,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(CN4CCC(=O)CC4)cc3)nc2)CC1,QMPLREVWIDMGAP-UHFFFAOYSA-N
-rxn:4:213893:222614,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)CC1,HJOZSIYOXIYVBT-UHFFFAOYSA-N
-rxn:4:213898:222795,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(NC(=O)N4CCOCC4)cc3)cn2)CC1,QLFYTRBXJFBLHE-UHFFFAOYSA-N
-rxn:4:213902:222916,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2F)CC1,BUGBWRMABLVRDU-UHFFFAOYSA-N
-rxn:4:213906:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SJHHCAYKNRIWTI-UHFFFAOYSA-N
-rxn:4:213950:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cnc(OC2CCN(S(=O)(=O)C3CCCCC3)C2)nc1,HUBPFRRUKVFYQV-UHFFFAOYSA-N
-rxn:4:213990:223500,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VWHBORVCCYFIDC-UHFFFAOYSA-N
-rxn:4:214008:224718,CC(C)c1sc(-c2ccc(OCCN3CCOCC3)nc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,SLRUGYZMPBWUMA-UHFFFAOYSA-N
-rxn:4:214012:222985,Cc1nc(C2CCCNC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,INWPWMJNDIXRCE-UHFFFAOYSA-N
-rxn:4:214012:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,KVZALHVYIIHWFS-UHFFFAOYSA-N
-rxn:4:214018:224591,CC(=O)N1N=C(c2ccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)cc2)CC1c1ccc(N(C)C)cc1,NKOUWRYBBTXPMF-UHFFFAOYSA-N
-rxn:4:214028:223796,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cccc(COc3cccc(C(F)(F)F)c3)c2)CCO1)N1CCCCC1,CXQAOZYYQFALOQ-UHFFFAOYSA-N
-rxn:4:214033:226414,CC(C)[C@H]1COC(c2cc(-c3ccc(C4=NCCCO4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,BUPQASHKUHOYNA-DNQXCXABSA-N
-rxn:4:214033:227834,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)ccc1C1CC1,CEELSOISAVWRLZ-JWQCQUIFSA-N
-rxn:4:214033:227958,CC(C)[C@H]1COC(c2cc(-c3ccnc(C4CCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YCFRQNJARUVNDD-DNQXCXABSA-N
-rxn:4:214035:225050,CC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,QKPYQGTXMFXDRL-UHFFFAOYSA-N
-rxn:4:214036:224198,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(N(C)C)cc5)C4)cc3)c(F)c2)CC1,UEQCTXXDELLYGW-UHFFFAOYSA-N
-rxn:4:214042:223802,O=C(c1ccc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,OHZPOIFDYUMREJ-UHFFFAOYSA-N
-rxn:4:214054:226815,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(-c4ccsc4)nc3Cl)CC2)C(=O)N1C1CC1,GVHVGNXWWJVUCS-UHFFFAOYSA-N
-rxn:4:214064:222753,CS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4cccs4)c3)cc2N2CCOCC2)CC1,JXCSIXHOTXSDBT-UHFFFAOYSA-N
-rxn:4:214086:223280,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCNC4)nc3)cc2N2CCCCC2)CC1,NRMPIJVLFAQXAH-UHFFFAOYSA-N
-rxn:4:214190:224397,CC(=O)N1CCN(C(=O)Cn2ccc3c(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cccc32)CC1,MJBRCBSLHYVPKW-UHFFFAOYSA-N
-rxn:4:214201:224365,CCCCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc(C(F)(F)F)c1F,NFVMJCJCPNPGAJ-UHFFFAOYSA-N
-rxn:4:214203:222694,CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)ccc32)CC1,XWGAMDZJUCCAHC-UHFFFAOYSA-N
-rxn:4:214284:224824,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)cn1)C2,FMRHTRCFCCCPSX-UHFFFAOYSA-N
-rxn:4:214585:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ncccc1CN1CC(S(N)(=O)=O)C1,BBNIMLCTZKQIBT-UHFFFAOYSA-N
-rxn:4:214603:223608,CC(C(=O)N1CCCC1)n1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cn1,JFXBUUYANPAPQV-UHFFFAOYSA-N
-rxn:4:214660:223787,CN1CCN(CCCOc2ccc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)cc2F)CC1,HDYCMDKBYZKIBA-UHFFFAOYSA-N
-rxn:4:214666:223696,Cc1noc(C2CN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)C2)n1,RTFDKYVKRBQBIF-UHFFFAOYSA-N
-rxn:4:214709:224810,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,BUQAIVSQMKOFEA-UHFFFAOYSA-N
-rxn:4:214711:222694,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,JJEBZADWNQDVLQ-UHFFFAOYSA-N
-rxn:4:214735:224728,COc1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(C(=O)OC(C)(C)C)cn1,NULIRYYLSIMSAB-UHFFFAOYSA-N
-rxn:4:214745:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C#N)c(N3CCC(N(C)C)CC3)c2)CC1,OBTDOZGHEIEWNM-UHFFFAOYSA-N
-rxn:4:214767:225199,CN(C)C1CCN(c2c(-c3cc(F)c(OC4CCCC4)c(F)c3)cccc2[N+](=O)[O-])CC1,SLMDDPRNDQMGHE-UHFFFAOYSA-N
-rxn:4:214786:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)CC1,PWRGMIDMPHPGIP-UHFFFAOYSA-N
-rxn:4:214829:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,ZIIKJOIWKBDUCR-UHFFFAOYSA-N
-rxn:4:214835:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,HRNFNERHTKFNGH-UHFFFAOYSA-N
-rxn:4:214836:226271,CN(C)C(C#N)c1ccccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,LBEDBOMCPNACEZ-UHFFFAOYSA-N
-rxn:4:214851:222863,CCCCNC(=O)c1cc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)ccc1Cl,FAJZPAQOGSOWHT-UHFFFAOYSA-N
-rxn:4:214851:223975,CC(C)(C)OC(=O)n1cc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c2nc(Cl)ccc21,SBWPOLUGAHGUCQ-UHFFFAOYSA-N
-rxn:4:214852:225389,CCC(C)c1cc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc(C2CC2)c1,XCKRLZHJQHPUJH-UHFFFAOYSA-N
-rxn:4:214855:224566,COC(=O)C1(c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cc2)CCCC1,XIYKGXXUURJLQP-UHFFFAOYSA-N
-rxn:4:214862:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1OCC,UINZPBGSMDPDTL-UHFFFAOYSA-N
-rxn:4:214867:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1Cl,MIINLIWKXJMYDW-UHFFFAOYSA-N
-rxn:4:214880:228140,Cc1cc(-c2ccc(C(C)N(C)C)s2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,XOMWFJNGAQKSPQ-UHFFFAOYSA-N
-rxn:4:214896:222946,Cc1cc(-c2cnc(N3CCCCC3O)nc2Cl)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,BRZHCGLALNYJPD-UHFFFAOYSA-N
-rxn:4:214899:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(N4C(=O)CC(N5CCN(c6ccc(F)cc6)CC5)C4=O)cc3)cc21,USJCWGQDCPKTPT-UHFFFAOYSA-N
-rxn:4:215100:224863,CC(C)N(Cc1ccccc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2)C(C)C,WVVHLSJLRCTBAR-UHFFFAOYSA-N
-rxn:4:215101:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,DSEDITVUGQXHSD-UHFFFAOYSA-N
-rxn:4:215107:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1,OPHONVIDADHUTC-UHFFFAOYSA-N
-rxn:4:215148:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,RLHRWYHXAXFWTD-QGZVFWFLSA-N
-rxn:4:215195:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccc(C3Cn4nc(C(=O)N5CCOCC5)cc4CO3)cc2)c1,GNXOADXNJOBJJJ-UHFFFAOYSA-N
-rxn:4:215201:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,GIEGVLGPNSBDHF-UHFFFAOYSA-N
-rxn:4:215297:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C(=O)N3CC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)cc1,LMCMBYTYXNZITB-UHFFFAOYSA-N
-rxn:4:215802:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,CEQMNCJCQZRWTN-UHFFFAOYSA-N
-rxn:4:215802:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)c2)CC1,ZKITYTQIYZOHNK-UHFFFAOYSA-N
-rxn:4:215802:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)c2)CC1,LUJYBFHAORTGEA-UHFFFAOYSA-N
-rxn:4:215803:224729,COc1nccc(-c2cnc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)c1C(=O)OC(C)(C)C,XCNOKCFOMJFLRT-UHFFFAOYSA-N
-rxn:4:215828:222716,CC1CN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cc2[N+](=O)[O-])CCO1,NMFFRJANXZYGSU-UHFFFAOYSA-N
-rxn:4:215846:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2C(=O)N2CCOC(C)C2)cc1,SIHRDJLCOHXSEQ-UHFFFAOYSA-N
-rxn:4:215852:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,LKRARAHPILAXEI-UHFFFAOYSA-N
-rxn:4:215872:223835,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)n2)CC1,GVSXOFZMEJZZLG-UHFFFAOYSA-N
-rxn:4:215891:223532,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,OIQGASBICWSOJJ-UHFFFAOYSA-N
-rxn:4:215897:224361,CCN(CC)S(=O)(=O)c1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)ccc1OC,HKKBEOCSTCGVFM-UHFFFAOYSA-N
-rxn:4:215898:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cn2)CC1,XMDNFFMUDJAUTR-UHFFFAOYSA-N
-rxn:4:215908:223847,CCCCCC1CCC(c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,UOCFPNBCIFXVLJ-UHFFFAOYSA-N
-rxn:4:215955:223784,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,ACQOYBOIZFOMKT-UHFFFAOYSA-N
-rxn:4:215958:222466,CC(C)N1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,HLHNBBUEQLDXRN-UHFFFAOYSA-N
-rxn:4:215990:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c1,NHZPDEOLGWEOKM-UHFFFAOYSA-N
-rxn:4:216089:223813,COC(=O)C1CCn2c(nnc2-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)C1,DVLTWIYHMBPWFR-UHFFFAOYSA-N
-rxn:4:216204:223748,COc1ccc2c(n1)c(-c1cc(N3CCCCC3)cc(N3CCCCC3)c1)nn2C1CCCCO1,MGYNPNJJJVXGMO-UHFFFAOYSA-N
-rxn:4:217134:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(N4CCC(F)(F)CC4)ncn3)c2)CC1,DQPZJKDULOJVTP-UHFFFAOYSA-N
-rxn:4:217134:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(N4CCC(F)(F)CC4)ncn3)ccc2C)CC1,MDPQNFNHJPRVLL-UHFFFAOYSA-N
-rxn:4:217135:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(F)(F)CC4)cn3)c2)CC1,DXIMMIPZQFMDFA-UHFFFAOYSA-N
-rxn:4:217135:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(F)(F)CC4)cn3)ccc2C)CC1,DPPCWIYAKHQXBO-UHFFFAOYSA-N
-rxn:4:217135:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(F)(F)CC3)cn2)CC1,QQBUJLPNXGIRJK-UHFFFAOYSA-N
-rxn:4:217137:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCC(F)(F)CC4)nn3)c2)CC1,NXKXHNPSUKHHJJ-UHFFFAOYSA-N
-rxn:4:217137:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCC(F)(F)CC4)nn3)ccc2C)CC1,CAHGOECFQLIWFR-UHFFFAOYSA-N
-rxn:4:217138:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(N4CCC(F)(F)CC4)n3)c2)CC1,OQPOHLNLXUSRQN-UHFFFAOYSA-N
-rxn:4:217138:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(N4CCC(F)(F)CC4)n3)ccc2C)CC1,QFGHLRJMYYWCKB-UHFFFAOYSA-N
-rxn:4:217140:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccnc(N4CCC(F)(F)CC4)n3)c2)CC1,QCSHOFQBUGALQS-UHFFFAOYSA-N
-rxn:4:217140:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCC(F)(F)CC4)n3)ccc2C)CC1,DQCODRQUJHILST-UHFFFAOYSA-N
-rxn:4:217140:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccnc(N3CCC(F)(F)CC3)n2)CC1,MGUJFVBHPIKQHF-UHFFFAOYSA-N
-rxn:4:217141:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nccc(N4CCC(F)(F)CC4)n3)c2)CC1,OBOWTGKTWKCNGY-UHFFFAOYSA-N
-rxn:4:217141:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nccc(N4CCC(F)(F)CC4)n3)ccc2C)CC1,VAVKJMFPFJTAMX-UHFFFAOYSA-N
-rxn:4:217142:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(F)(F)CC4)nc3)c2)CC1,ODNHADFONHHNCF-UHFFFAOYSA-N
-rxn:4:217142:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(F)(F)CC4)nc3)ccc2C)CC1,NLIZSIAGYORHRT-UHFFFAOYSA-N
-rxn:4:217142:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(F)(F)CC2)nc1,FFLYKCYEZJKANC-UHFFFAOYSA-N
-rxn:4:217157:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)C(=O)C3)nc2)CC1,CEHYHECTDCKVPW-UHFFFAOYSA-N
-rxn:4:217157:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)C(=O)C3)nc2)CC1,XGJWKQVTCJEDDM-UHFFFAOYSA-N
-rxn:4:217161:223698,CN1CCN(c2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)n2)CC1,WVFQOXNWNMFJNZ-UHFFFAOYSA-N
-rxn:4:217902:223480,Cc1cc(-c2c3c(c([N+](=O)[O-])c4cn[nH]c24)C(C)(C)CC3(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ULIDGQGXEUWLAL-UHFFFAOYSA-N
-rxn:4:217910:223541,Cc1cc(C)c(-n2c[n+]3c(n2)COC2Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC6(CC5)OCCO6)cc4C23)c(C)c1,OQWSMVFXKLZAPZ-UHFFFAOYSA-N
-rxn:4:218526:223491,Cc1nc(Cl)c2c(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c(C)n(C)c2n1,ITZTZTJNWHKEHS-UHFFFAOYSA-N
-rxn:4:218556:223983,CCN(CC)CCn1ncn(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CC)CC3)cc2F)c1=O,SNRLTFPCIYUYHP-UHFFFAOYSA-N
-rxn:4:218583:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1,BMXONTLGURXHSX-UHFFFAOYSA-N
-rxn:4:218585:224634,COc1ccc(-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4F)CC3)nc2)cc1CN1CCOCC1,XPPPIICDMVOOFG-UHFFFAOYSA-N
-rxn:4:218587:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)C1,FUIPULQULOXGSV-UHFFFAOYSA-N
-rxn:4:218589:225910,CCOc1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1,HNVWETLTPNRYJM-UHFFFAOYSA-N
-rxn:4:218589:226583,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCOCC5)s4)cn3)C2)cc1,GGBOSVZXGCGLGE-UHFFFAOYSA-N
-rxn:4:218656:222989,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCNCC4)cc3C)cn2)C1,OOYLBUGTUPKEIV-UHFFFAOYSA-N
-rxn:4:218664:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(N(C)C)cc5)C4)nc3)c3ccccc23)CC1,RIGZAYRDSXGVJZ-UHFFFAOYSA-N
-rxn:4:218665:223835,Cc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,IEUWFSAOKDDEIO-UHFFFAOYSA-N
-rxn:4:218666:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)c2)C1,IXEZTCGFGQRZEK-UHFFFAOYSA-N
-rxn:4:218675:226533,CCOC(=O)c1cc(F)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,UZZGDFJPPQABKA-UHFFFAOYSA-N
-rxn:4:218705:225172,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3)n[nH]2)CC1,PWZGELPDDMEFNZ-UHFFFAOYSA-N
-rxn:4:218705:225898,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,LCQBKBIMPPRMDR-UHFFFAOYSA-N
-rxn:4:218710:222394,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XFOKQKQEFMKHFL-SLSQMKSVSA-N
-rxn:4:218710:222397,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCc5c[nH]cn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QOUODFYAFJTTQR-UHFFFAOYSA-N
-rxn:4:218710:222409,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(N)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VWMPUOWXKZLRPY-UHFFFAOYSA-N
-rxn:4:218710:222416,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]c(=O)[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FREIEPKVVZLIHE-UHFFFAOYSA-N
-rxn:4:218710:222419,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(N)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PEKPUGPHOFIQGL-UHFFFAOYSA-N
-rxn:4:218710:222457,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKBYZONTQJVAQD-UHFFFAOYSA-N
-rxn:4:218710:222463,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNc5cccc6ccccc56)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ODWJEXZEWCRHCX-UHFFFAOYSA-N
-rxn:4:218710:222473,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UDLGSIRVEPYZIK-UHFFFAOYSA-N
-rxn:4:218710:222485,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cccc(C)c5C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DGLRTMGSIIJLMD-UHFFFAOYSA-N
-rxn:4:218710:222495,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)OCc5ccccc5)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DZAGJWVCAZAZCS-UHFFFAOYSA-N
-rxn:4:218710:222498,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4S(=O)(=O)NCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YHXCSMLOEIEORI-UHFFFAOYSA-N
-rxn:4:218710:222503,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NCc5ccc(F)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASEFPTAESGLPCO-UHFFFAOYSA-N
-rxn:4:218710:222516,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWZYUSWKQXAMOJ-UHFFFAOYSA-N
-rxn:4:218710:222533,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cc(C)ccc5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CFGGKOVMOLJWJW-UHFFFAOYSA-N
-rxn:4:218710:222549,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(NCC(=O)c5ccccc5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QNLNUPMPCITDFH-UHFFFAOYSA-N
-rxn:4:218710:222550,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOHPOUFGQZJWJT-UHFFFAOYSA-N
-rxn:4:218710:222555,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccc(OC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NLSGAPDKOVQWHW-UHFFFAOYSA-N
-rxn:4:218710:222568,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GNDVCWCFZKCDNP-UHFFFAOYSA-N
-rxn:4:218710:222586,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCc5ccc(F)cc5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVVIOTPCOYCRKH-UHFFFAOYSA-N
-rxn:4:218710:222593,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)Nc5cccc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BAMMPGZVNFEHMF-UHFFFAOYSA-N
-rxn:4:218710:222594,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)Nc5ccc(C)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HPBKUOBCQLQEFZ-UHFFFAOYSA-N
-rxn:4:218710:222595,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5ccc(F)c(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQOKOGTXGVZLLR-UHFFFAOYSA-N
-rxn:4:218710:222636,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GRLIVWNJXDYCOM-LYYPKXFYSA-N
-rxn:4:218710:222642,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5ccncc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QKNPFUBFHJYMQC-UHFFFAOYSA-N
-rxn:4:218710:222644,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBJSBWBMPKIXLY-UHFFFAOYSA-N
-rxn:4:218710:222655,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HOZPUTBUQQPSNC-UHFFFAOYSA-N
-rxn:4:218710:222659,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XWQNNOBPJZWZJS-UHFFFAOYSA-N
-rxn:4:218710:222660,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccccc5F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKQKZKLLQNVXDJ-UHFFFAOYSA-N
-rxn:4:218710:222667,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBZYTFOWLNBUSK-UHFFFAOYSA-N
-rxn:4:218710:222686,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Nc5ccc([N+](=O)[O-])cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZETOSJDHQBTANV-UHFFFAOYSA-N
-rxn:4:218710:222687,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFJYFISHCAUEBL-UHFFFAOYSA-N
-rxn:4:218710:222689,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccc(Cl)cn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HUVSAUJHRCDTNE-UHFFFAOYSA-N
-rxn:4:218710:222698,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GDIDRGDIQJINOB-UHFFFAOYSA-N
-rxn:4:218710:222716,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSNGOUPZNHIKJT-UHFFFAOYSA-N
-rxn:4:218710:222737,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VBDRXIDIRUPVPE-UHFFFAOYSA-N
-rxn:4:218710:222747,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCC5CCCO5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YVCZBGDVFRXYID-UHFFFAOYSA-N
-rxn:4:218710:222756,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CNC(=O)c5cccs5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BJCCLKUFPLJBIS-UHFFFAOYSA-N
-rxn:4:218710:222757,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(=O)c5cccs5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FMXMTBYZZIWYDE-UHFFFAOYSA-N
-rxn:4:218710:222760,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JJHBAUKXSFBUKV-UHFFFAOYSA-N
-rxn:4:218710:222765,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5ccccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YCCSYDOVZHJCBA-UHFFFAOYSA-N
-rxn:4:218710:222774,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XQIQBKDLVUAPQN-UHFFFAOYSA-N
-rxn:4:218710:222775,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(O)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SVXUZAKEFPPCJW-UHFFFAOYSA-N
-rxn:4:218710:222795,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)N5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZSIMSFYVWPYSIO-UHFFFAOYSA-N
-rxn:4:218710:222803,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPMWRRVVHYGYQW-UHFFFAOYSA-N
-rxn:4:218710:222804,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC5CCS(=O)(=O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MWSPMKSQHGINFZ-UHFFFAOYSA-N
-rxn:4:218710:222822,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQMGGUQPSXPNON-UHFFFAOYSA-N
-rxn:4:218710:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,SQWCPXFJWSERCV-UHFFFAOYSA-N
-rxn:4:218710:222845,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCNCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DGVDZSNJVXMSFY-UHFFFAOYSA-N
-rxn:4:218710:222858,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCCN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMMWDXFYNQYLRQ-UHFFFAOYSA-N
-rxn:4:218710:222859,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCN(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BBJFJLFOSIJVHJ-UHFFFAOYSA-N
-rxn:4:218710:222885,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCOC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OCJHJDSIWQJFGQ-UHFFFAOYSA-N
-rxn:4:218710:222887,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKTZHFSSCPTKDZ-UHFFFAOYSA-N
-rxn:4:218710:222898,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCC(=O)OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NJJKFISAVTYOOS-UHFFFAOYSA-N
-rxn:4:218710:222913,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWJKGPFIOYHXNZ-UHFFFAOYSA-N
-rxn:4:218710:222914,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5nccs5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BZCDZTFEYATASR-UHFFFAOYSA-N
-rxn:4:218710:222937,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UHHXBMIJDIFASI-UHFFFAOYSA-N
-rxn:4:218710:222945,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JADCMSGRRLMHMJ-UHFFFAOYSA-N
-rxn:4:218710:222959,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNCC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VWVIZYJHBKCQJQ-UHFFFAOYSA-N
-rxn:4:218710:222963,CCCNC(=O)Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,IXGVQUWXGIYMHX-UHFFFAOYSA-N
-rxn:4:218710:222966,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(CNCC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUBNTKOICDPVLO-UHFFFAOYSA-N
-rxn:4:218710:222968,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXIGFBZCJDUQDI-UHFFFAOYSA-N
-rxn:4:218710:222976,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XQVJPHRVUHBOIV-UHFFFAOYSA-N
-rxn:4:218710:222979,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Nc5ccccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ODFSHDIYXNSCQJ-UHFFFAOYSA-N
-rxn:4:218710:222983,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCC(O)C5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPMRSOVJJMSYRB-UHFFFAOYSA-N
-rxn:4:218710:222984,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(O)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FRBVLLCNDDIGGX-UHFFFAOYSA-N
-rxn:4:218710:222995,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCC(O)C5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CKTOGJWGKHYUDR-UHFFFAOYSA-N
-rxn:4:218710:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,WHNAEZJXKDQWIW-UHFFFAOYSA-N
-rxn:4:218710:223029,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)OC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UIAYLZUWLBXGQQ-UHFFFAOYSA-N
-rxn:4:218710:223059,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPULIQOCHANLFE-UHFFFAOYSA-N
-rxn:4:218710:223073,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(NCc5ccco5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZKMGLXHMNXATFZ-UHFFFAOYSA-N
-rxn:4:218710:223094,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc([N+](=O)[O-])c(NC(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JDLTYCQTUXINQE-UHFFFAOYSA-N
-rxn:4:218710:223108,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RJOBIUASPAVQJL-UHFFFAOYSA-N
-rxn:4:218710:223113,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MZWNMOMSQGWODV-UHFFFAOYSA-N
-rxn:4:218710:223121,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WGFJIKXFECCTIL-UHFFFAOYSA-N
-rxn:4:218710:223128,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC5CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XMBTZZLKROOQRY-UHFFFAOYSA-N
-rxn:4:218710:223131,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LTNNLKZPYZDWOP-UHFFFAOYSA-N
-rxn:4:218710:223137,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C5CCCNC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RHESMCQWOOURAR-UHFFFAOYSA-N
-rxn:4:218710:223144,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GTKYQHDDQDBJDM-UHFFFAOYSA-N
-rxn:4:218710:223145,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCC(=O)N5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WVKUDRPEDSKVEM-UHFFFAOYSA-N
-rxn:4:218710:223147,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SSTNTUYTFPFHEI-UHFFFAOYSA-N
-rxn:4:218710:223150,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(NCCN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OKBMFJDELVHFGU-UHFFFAOYSA-N
-rxn:4:218710:223165,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)=O)c(C)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LQVGJDDNRPQMDP-UHFFFAOYSA-N
-rxn:4:218710:223177,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNS(C)(=O)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DCMMLCLPMOATTD-UHFFFAOYSA-N
-rxn:4:218710:223180,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NOC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWYRYFWANRRTRQ-UHFFFAOYSA-N
-rxn:4:218710:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,BVXVRHADKXGEPI-UHFFFAOYSA-N
-rxn:4:218710:223191,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AAEXSFMWACNLDK-UHFFFAOYSA-N
-rxn:4:218710:223194,CCCNCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,DZFDQJQYYYFFKM-UHFFFAOYSA-N
-rxn:4:218710:223197,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WTXXJGLQQPYZPV-UHFFFAOYSA-N
-rxn:4:218710:223199,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CCNC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CGHVHSRCVJLFLB-UHFFFAOYSA-N
-rxn:4:218710:223200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPKKRFRKGFGCGR-UHFFFAOYSA-N
-rxn:4:218710:223202,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5(O)CCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YBHMZFXCSRJOJI-UHFFFAOYSA-N
-rxn:4:218710:223220,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NCC5CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GNNQSXPKVZEBND-UHFFFAOYSA-N
-rxn:4:218710:223221,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CNC(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXMMUBFHWFAOGX-UHFFFAOYSA-N
-rxn:4:218710:223222,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(C)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KDZXHOFGLNRBRS-UHFFFAOYSA-N
-rxn:4:218710:223224,CCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,HQWJSXGGOIJLPU-UHFFFAOYSA-N
-rxn:4:218710:223225,CCNC(=O)c1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,ISSMFQXHAPIKMZ-UHFFFAOYSA-N
-rxn:4:218710:223228,CCC(=O)Nc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,GUARCVDXNTXLHX-UHFFFAOYSA-N
-rxn:4:218710:223230,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)=O)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CFAIKSDSOARJQG-UHFFFAOYSA-N
-rxn:4:218710:223248,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5[nH]c(=O)ccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CSGXZAJMHJCZRL-UHFFFAOYSA-N
-rxn:4:218710:223249,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc[nH]c(=O)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XAASAQCTOUSDOQ-UHFFFAOYSA-N
-rxn:4:218710:223252,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c5c(c4)NCCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HHWWTAFWCCLBNP-UHFFFAOYSA-N
-rxn:4:218710:223260,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OMIBNKQISQCEID-UHFFFAOYSA-N
-rxn:4:218710:223264,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MDTCXLCJCUPJDJ-UHFFFAOYSA-N
-rxn:4:218710:223265,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4NC(C)=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DBTODFFNALDYFP-UHFFFAOYSA-N
-rxn:4:218710:223266,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4C(=O)NC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BUTLHUPKBPDFFF-UHFFFAOYSA-N
-rxn:4:218710:223267,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XIFXRMHQGZAIJS-UHFFFAOYSA-N
-rxn:4:218710:223269,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)=O)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFGRVWAGFFVFNP-UHFFFAOYSA-N
-rxn:4:218710:223271,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(NC(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XHWOKDMZWAROQG-UHFFFAOYSA-N
-rxn:4:218710:223278,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ISYZUPNVVQAAQR-UHFFFAOYSA-N
-rxn:4:218710:223282,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(Cl)c5[nH]ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VHXMOIFKAUVTSV-UHFFFAOYSA-N
-rxn:4:218710:223283,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC)c([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XCIAGQQYBKMWGT-UHFFFAOYSA-N
-rxn:4:218710:223284,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NS(C)(=O)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RNPGSAQNVTVIRJ-UHFFFAOYSA-N
-rxn:4:218710:223286,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NS(C)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NABKWFQCVIFOQS-UHFFFAOYSA-N
-rxn:4:218710:223287,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HYKNNCLJRGEVCO-UHFFFAOYSA-N
-rxn:4:218710:223296,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccc(C)cc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQJITZDJAHKIOE-UHFFFAOYSA-N
-rxn:4:218710:223298,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cccc(C)c5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AEPRXACVCJZETR-UHFFFAOYSA-N
-rxn:4:218710:223299,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(C)cccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WYBLGTBIDFMRQR-UHFFFAOYSA-N
-rxn:4:218710:223300,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]cc(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SVOLTNSKKVBHFZ-UHFFFAOYSA-N
-rxn:4:218710:223301,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(C)[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VSNPCCYXVVYJCT-UHFFFAOYSA-N
-rxn:4:218710:223302,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccc5[nH]ccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ISEWCVVGVGQHOA-UHFFFAOYSA-N
-rxn:4:218710:223305,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)c[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MXNIYBVXNUAOQP-UHFFFAOYSA-N
-rxn:4:218710:223307,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCNC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FMXVNEPNOFTZIX-UHFFFAOYSA-N
-rxn:4:218710:223309,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SFCRJQGVAVIDKQ-UHFFFAOYSA-N
-rxn:4:218710:223311,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LEZJAHBMKJXVFU-UHFFFAOYSA-N
-rxn:4:218710:223316,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]nc(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQHOHBHJOWPGJK-UHFFFAOYSA-N
-rxn:4:218710:223317,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)n[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKDCVLZNDUOKOQ-UHFFFAOYSA-N
-rxn:4:218710:223319,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5[nH]ncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OEFKRXYHNBJYEI-UHFFFAOYSA-N
-rxn:4:218710:223322,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cn[nH]c5cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CWLKILVFUVTFIS-UHFFFAOYSA-N
-rxn:4:218710:223323,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5[nH]ncc5cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GIVQGQXIVQYSFJ-UHFFFAOYSA-N
-rxn:4:218710:223324,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5cn[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ULTHNAQOYRSIEY-UHFFFAOYSA-N
-rxn:4:218710:223326,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C)n[nH]c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BPGUZRFDRCYJMO-UHFFFAOYSA-N
-rxn:4:218710:223333,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(Cl)cccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OLLPDZLJIWWKCY-UHFFFAOYSA-N
-rxn:4:218710:223338,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc5[nH]ccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VJRPTFRLXQCRBE-UHFFFAOYSA-N
-rxn:4:218710:223340,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)NCCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YKYXBLFHPUDMHD-UHFFFAOYSA-N
-rxn:4:218710:223342,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OCCN5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SBSSRCFFQFJADS-UHFFFAOYSA-N
-rxn:4:218710:223344,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4CC(=O)N5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FCWYZKZPIPCQPC-UHFFFAOYSA-N
-rxn:4:218710:223351,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNOC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TVNIGADNACLYIH-UHFFFAOYSA-N
-rxn:4:218710:223352,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MHISEXJSRPRSSC-UHFFFAOYSA-N
-rxn:4:218710:223356,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,COFWJJWMQIMPEX-UHFFFAOYSA-N
-rxn:4:218710:223359,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IZJLWDBWOYGPHS-UHFFFAOYSA-N
-rxn:4:218710:223360,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CNC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PCVWFRNCSMACBT-UHFFFAOYSA-N
-rxn:4:218710:223361,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)=NO)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PATVYILTIMXJFT-UHFFFAOYSA-N
-rxn:4:218710:223362,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(/C(C)=N/O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PATVYILTIMXJFT-PPOKSSTKSA-N
-rxn:4:218710:223365,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5[nH]ncc5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WUASAWMBRMSLJC-UHFFFAOYSA-N
-rxn:4:218710:223370,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c5[nH]ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NFJYTBPGIXNEDB-UHFFFAOYSA-N
-rxn:4:218710:223372,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c5cn[nH]c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KACSABCAYKCDNT-UHFFFAOYSA-N
-rxn:4:218710:223378,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(c4)NCCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXLHSOJUCGYOSP-UHFFFAOYSA-N
-rxn:4:218710:223383,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)=O)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OTABXHTZTVZQKV-UHFFFAOYSA-N
-rxn:4:218710:223398,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QAMCTIKFQXSNQE-UHFFFAOYSA-N
-rxn:4:218710:223401,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RRJGFFVVWCOGFS-UHFFFAOYSA-N
-rxn:4:218710:223421,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)NC)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MMIZOZFJECPRGY-UHFFFAOYSA-N
-rxn:4:218710:223437,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)[nH]c(=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XZQSXLNOOYLNBX-UHFFFAOYSA-N
-rxn:4:218710:223441,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4NC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OKFGZXKEKQOUMY-UHFFFAOYSA-N
-rxn:4:218710:223442,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NZPVDGQNUJCAQY-UHFFFAOYSA-N
-rxn:4:218710:223443,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CEOVMXHXBKFTKT-UHFFFAOYSA-N
-rxn:4:218710:223445,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c[nH+]ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HFTHYTLBKLXNCQ-UHFFFAOYSA-O
-rxn:4:218710:223484,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQLGWDPGDFMIMM-UHFFFAOYSA-N
-rxn:4:218710:223485,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FPKUPPGAQBUPGM-UHFFFAOYSA-N
-rxn:4:218710:223498,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQVCINJEFIOIRP-UHFFFAOYSA-N
-rxn:4:218710:223502,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OZSQWAOADGAKHT-UHFFFAOYSA-N
-rxn:4:218710:223505,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KJPXCDUVFIKQSV-UHFFFAOYSA-N
-rxn:4:218710:223506,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DMFOSBKRHKXJDV-UHFFFAOYSA-N
-rxn:4:218710:223507,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AZMXDAVJOSAFAG-UHFFFAOYSA-N
-rxn:4:218710:223528,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWYPEVXYNGORNF-UHFFFAOYSA-N
-rxn:4:218710:223532,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKVBDYNJIRDXKD-UHFFFAOYSA-N
-rxn:4:218710:223548,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVMXSPAHKXGHRF-UHFFFAOYSA-N
-rxn:4:218710:223561,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C(=O)OC(C)(C)C)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VTQDUERJTQQAKV-UHFFFAOYSA-N
-rxn:4:218710:223566,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5c(C)ccc5C)nc(-n5c(C)ccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KYKPCCIXEYHHQO-UHFFFAOYSA-N
-rxn:4:218710:223573,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HKLHSILXVJKJDD-UHFFFAOYSA-N
-rxn:4:218710:223579,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QPNGOLPBRKOMNN-UHFFFAOYSA-N
-rxn:4:218710:223603,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5cccnc5)c(OC(F)(F)F)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MFGPABJGHZKHFZ-UHFFFAOYSA-N
-rxn:4:218710:223626,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YHNGJSCMFFJWRX-UHFFFAOYSA-N
-rxn:4:218710:223627,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CARKNFBDNIIRGW-UHFFFAOYSA-N
-rxn:4:218710:223629,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COc5ccc(Cl)c6ccccc56)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KYINXTHSTSZJNB-UHFFFAOYSA-N
-rxn:4:218710:223638,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IIFWDMOIUBTCGH-UHFFFAOYSA-N
-rxn:4:218710:223642,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XJYLMCMVEDJLBC-UHFFFAOYSA-N
-rxn:4:218710:223649,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ITVGWXFUTYHUAX-UHFFFAOYSA-N
-rxn:4:218710:223660,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZLZPKCFKCZWVKZ-UHFFFAOYSA-N
-rxn:4:218710:223662,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JRWRFXHBAPFXII-UHFFFAOYSA-N
-rxn:4:218710:223683,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKAIVBSRYVVOJJ-UHFFFAOYSA-N
-rxn:4:218710:223716,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccccc5c4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XQTDYKQTUXDHFQ-UHFFFAOYSA-N
-rxn:4:218710:223732,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COc4cc(C)ccc4C(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GMGAWTMWXKVABH-UHFFFAOYSA-N
-rxn:4:218710:223738,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(O[Si](C)(C)C(C)(C)C)ccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPDJUPLEMIDYFU-UHFFFAOYSA-N
-rxn:4:218710:223763,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5noc(Cc6ccccc6)n5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZRQGJXWQNYMFHM-UHFFFAOYSA-N
-rxn:4:218710:223768,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C(=O)OC(C)(C)C)c5cc(C#N)ccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LOIYKFZTLVICHL-UHFFFAOYSA-N
-rxn:4:218710:223779,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SYRNAIYWUZOXAM-UHFFFAOYSA-N
-rxn:4:218710:223791,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)c5ccc(OC)cc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IVASGAOESPAWBZ-UHFFFAOYSA-N
-rxn:4:218710:223811,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MUJSYTQAORWOCM-UHFFFAOYSA-N
-rxn:4:218710:223812,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GCEFHVZWDLOSRE-UHFFFAOYSA-N
-rxn:4:218710:223817,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CCN5C(=O)c6ccccc6C5=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CWJRIQUURZSAKA-UHFFFAOYSA-N
-rxn:4:218710:223908,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)cc4OCc4ccc(OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFWQXNAWGKXDLD-UHFFFAOYSA-N
-rxn:4:218710:223916,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCN(C(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HDQHYZNJYGLDTL-UHFFFAOYSA-N
-rxn:4:218710:223946,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(CC)C(=O)OC(C)(C)C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KHVZMBCKMXUXHP-UHFFFAOYSA-N
-rxn:4:218710:223947,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(CC)C(=O)OC(C)(C)C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BDWNQGLISFGXQE-UHFFFAOYSA-N
-rxn:4:218710:223953,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(N5CCN(CCOC)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OQZJVBURMVPYAT-UHFFFAOYSA-N
-rxn:4:218710:223982,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(S(=O)(=O)CC)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CRACDEXUNWQSQJ-UHFFFAOYSA-N
-rxn:4:218710:223993,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LYPKHYPRAMNWEG-UHFFFAOYSA-N
-rxn:4:218710:224046,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)Cc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UPPDQDUWRUODRR-UHFFFAOYSA-N
-rxn:4:218710:224047,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN(C)Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VUWLSXJJGTZKJL-UHFFFAOYSA-N
-rxn:4:218710:224057,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C)cc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WESJGXAHMUXMNN-UHFFFAOYSA-N
-rxn:4:218710:224074,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(cnn5Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQPCKSMXPQUJMJ-UHFFFAOYSA-N
-rxn:4:218710:224125,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WIVFNZSYWOJMGZ-UHFFFAOYSA-N
-rxn:4:218710:224148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4OCc4cccc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FVAWYFWXEBCBGH-UHFFFAOYSA-N
-rxn:4:218710:224179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCN(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DDKUDVITZIUJAO-UHFFFAOYSA-N
-rxn:4:218710:224186,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COc5ccc(OC)cc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DBGCFANJYFHNOX-UHFFFAOYSA-N
-rxn:4:218710:224200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5cccnc5)c(Cl)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFDPUGDYLZSRAC-UHFFFAOYSA-N
-rxn:4:218710:224201,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)c(C)nc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JUPQICMUTRTMSV-UHFFFAOYSA-N
-rxn:4:218710:224203,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OZAKJWRGNDMLPW-UHFFFAOYSA-N
-rxn:4:218710:224225,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5cccc(Cl)c5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SSSXTHPQHVPHOD-UHFFFAOYSA-N
-rxn:4:218710:224230,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)c(F)c(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQJVINYDJOMQDF-UHFFFAOYSA-N
-rxn:4:218710:224261,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SEFNPUJFYSZPQC-UHFFFAOYSA-N
-rxn:4:218710:224281,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(OC)cc(OC)cc5nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PMEFTIDMSYIRSO-UHFFFAOYSA-N
-rxn:4:218710:224282,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N(C)C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WOVCNVHZHAKMFQ-UHFFFAOYSA-N
-rxn:4:218710:224313,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CUBYTHALALQRMO-UHFFFAOYSA-N
-rxn:4:218710:224317,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IGAAITLKAPSQQH-UHFFFAOYSA-N
-rxn:4:218710:224325,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IZYPWXLBJKAQGM-UHFFFAOYSA-N
-rxn:4:218710:224374,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HYMVNJCWARATEK-UHFFFAOYSA-N
-rxn:4:218710:224393,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FKMAGACUJIEQEA-UHFFFAOYSA-N
-rxn:4:218710:224396,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GSEAEZAMSZNLPM-UHFFFAOYSA-N
-rxn:4:218710:224437,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WJTXNCFSLKRPNS-UHFFFAOYSA-N
-rxn:4:218710:224438,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LVPPNUUEVLOTAR-UHFFFAOYSA-N
-rxn:4:218710:224449,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccc5)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IWVDLTGXGHPNKF-UHFFFAOYSA-N
-rxn:4:218710:224457,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OSCLNKCTRCNPCN-UHFFFAOYSA-N
-rxn:4:218710:224476,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)ncn5C4CCCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DPVCFRIOPXZDFH-UHFFFAOYSA-N
-rxn:4:218710:224483,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CBFRAJYEJHMORY-UHFFFAOYSA-N
-rxn:4:218710:224492,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCC(=O)N5CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GLHSLOQGDZAPTD-UHFFFAOYSA-N
-rxn:4:218710:224493,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MUSOOXSBKGESIZ-UHFFFAOYSA-N
-rxn:4:218710:224497,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2)CC1,UXFREPIWTXWMGS-UHFFFAOYSA-N
-rxn:4:218710:224502,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCC5CCCCN5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZIUBWSWGPSDBJO-UHFFFAOYSA-N
-rxn:4:218710:224514,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZGJBGKKNYNNYOT-UHFFFAOYSA-N
-rxn:4:218710:224533,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccccc5Cl)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XDKCPCWACGHJMN-UHFFFAOYSA-N
-rxn:4:218710:224535,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5cccc(Cl)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YNCILMUGNBROHU-UHFFFAOYSA-N
-rxn:4:218710:224536,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCTBGITZOFZBGU-UHFFFAOYSA-N
-rxn:4:218710:224539,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5cccc(F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BBCABYIAAHOXLW-UHFFFAOYSA-N
-rxn:4:218710:224543,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccc(F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXFBFIAKSNMLSD-UHFFFAOYSA-N
-rxn:4:218710:224545,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccc(Cl)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXIDINVNUDQBCY-UHFFFAOYSA-N
-rxn:4:218710:224553,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccccc5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXWZKVDLMFFHKF-UHFFFAOYSA-N
-rxn:4:218710:224562,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccc5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QGBFKLAMWXYXHZ-UHFFFAOYSA-N
-rxn:4:218710:224570,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ANKBWDRRCJRHGP-UHFFFAOYSA-N
-rxn:4:218710:224571,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DNFBXYRMURAQIV-UHFFFAOYSA-N
-rxn:4:218710:224577,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(-n5cnc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PREDZWSDZFXOEY-UHFFFAOYSA-N
-rxn:4:218710:224584,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N5CCC(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZAFYQZFUAUOYSI-UHFFFAOYSA-N
-rxn:4:218710:224610,CCCCc1nc(-c2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2)no1,JNXXDGUVEOTBBD-UHFFFAOYSA-N
-rxn:4:218710:224621,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCSCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IIJYOXNILQDWFW-UHFFFAOYSA-N
-rxn:4:218710:224622,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(C(=O)OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBNXBCFRCMHZBP-UHFFFAOYSA-N
-rxn:4:218710:224626,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COCc5cccs5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DIRQEUAHTFTGLU-UHFFFAOYSA-N
-rxn:4:218710:224627,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CC(N(C)C)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CRBOKYSSNKHHLF-UHFFFAOYSA-N
-rxn:4:218710:224658,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQCVYPWCAMYKFU-UHFFFAOYSA-N
-rxn:4:218710:224659,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZVQWFHVGIZVQIT-UHFFFAOYSA-N
-rxn:4:218710:224660,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFGMKPURANPFOI-UHFFFAOYSA-N
-rxn:4:218710:224662,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YYLVMWKWENLNLH-UHFFFAOYSA-N
-rxn:4:218710:224667,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GFVYHXQJOSDOFZ-UHFFFAOYSA-N
-rxn:4:218710:224670,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(CN5CCN(C)CC5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PXTLFEBODOPGOE-UHFFFAOYSA-N
-rxn:4:218710:224674,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccc(C#N)c5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFLYSYAQIRDEQC-UHFFFAOYSA-N
-rxn:4:218710:224696,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(-c5cccc(OC)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWUFDAKCWVCVRE-UHFFFAOYSA-N
-rxn:4:218710:224749,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccccc5OC)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PQNOELNBXJBYAS-UHFFFAOYSA-N
-rxn:4:218710:224766,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCC5)cc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HANPYNYVOSQULV-UHFFFAOYSA-N
-rxn:4:218710:224774,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XGPBQYFKHJTEJD-UHFFFAOYSA-N
-rxn:4:218710:224791,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC(C)C)cc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZMIYGZPSYXBCSF-UHFFFAOYSA-N
-rxn:4:218710:224806,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HBRQGDOGEBWJHE-UHFFFAOYSA-N
-rxn:4:218710:224810,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFUQBZWOQWJEDY-UHFFFAOYSA-N
-rxn:4:218710:224832,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ncon5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PYJAQCZAYOQBHX-UHFFFAOYSA-N
-rxn:4:218710:224851,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C=Cc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZMGFWOCJZKUKJP-UHFFFAOYSA-N
-rxn:4:218710:224862,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC(C)C)ccc5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQKVVDMOMKQIGZ-UHFFFAOYSA-N
-rxn:4:218710:224865,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VFYUSZLGOPQPGV-UHFFFAOYSA-N
-rxn:4:218710:224866,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XDOIQSDJUDDUCU-UHFFFAOYSA-N
-rxn:4:218710:224873,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4SCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKPSEFKNKRSAIH-UHFFFAOYSA-N
-rxn:4:218710:224875,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZTDGYBKOSSEVII-UHFFFAOYSA-N
-rxn:4:218710:224882,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGZJQHNIUYUAKE-UHFFFAOYSA-N
-rxn:4:218710:224883,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGBGEOCSCKOFMS-UHFFFAOYSA-N
-rxn:4:218710:224889,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4-c4ccc(C#N)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CEMDCEHNDPOPTO-UHFFFAOYSA-N
-rxn:4:218710:224896,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PNWZEXNKIWYGJC-UHFFFAOYSA-N
-rxn:4:218710:224898,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4-c4ccc(OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QGQNGSJQPIZKHM-UHFFFAOYSA-N
-rxn:4:218710:224899,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KMLXEJQDMHHUIF-UHFFFAOYSA-N
-rxn:4:218710:224900,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVKWFEHRAXFCNI-UHFFFAOYSA-N
-rxn:4:218710:224902,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IEEUYSRZPVIXHV-UHFFFAOYSA-N
-rxn:4:218710:224903,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(-c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CSPDPTHQTKOUQT-UHFFFAOYSA-N
-rxn:4:218710:224906,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MKBDROPENVXULX-UHFFFAOYSA-N
-rxn:4:218710:224913,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QVUIIJGFGZHRAQ-UHFFFAOYSA-N
-rxn:4:218710:224922,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4Sc4ccccc4S5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KAHRCZTXOZHCJL-UHFFFAOYSA-N
-rxn:4:218710:224923,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4Oc4ccccc4S5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFPWJPGLCIGNFI-UHFFFAOYSA-N
-rxn:4:218710:224928,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(C(=O)OC)ccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LDRJQOCTQFPGPZ-UHFFFAOYSA-N
-rxn:4:218710:224929,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)cc5ccccc5c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXSFSHVOHFEATB-UHFFFAOYSA-N
-rxn:4:218710:224933,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KKVZVEMCZNCCBY-UHFFFAOYSA-N
-rxn:4:218710:224934,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCCN5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MRGYMPJNFFYEKY-UHFFFAOYSA-N
-rxn:4:218710:224935,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COCc5ccco5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXCIDFXQEZZGIQ-UHFFFAOYSA-N
-rxn:4:218710:224938,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(COCc5cccs5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQONZBQZTHWZGG-UHFFFAOYSA-N
-rxn:4:218710:224939,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COCc4cccs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVUNPHXPKWOWHR-UHFFFAOYSA-N
-rxn:4:218710:224941,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCN5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PJFCLSRRCBRVOW-UHFFFAOYSA-N
-rxn:4:218710:224942,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HLJKZFSDGRDXHG-UHFFFAOYSA-N
-rxn:4:218710:224943,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccccc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DXAHTKAPNNNURS-UHFFFAOYSA-N
-rxn:4:218710:224946,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXVKROCNHKCTKU-UHFFFAOYSA-N
-rxn:4:218710:224947,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SBDVALRKDZIHRK-UHFFFAOYSA-N
-rxn:4:218710:224971,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXVUEJYJHWYHOO-UHFFFAOYSA-N
-rxn:4:218710:224973,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QLKCZELHHLWJQG-UHFFFAOYSA-N
-rxn:4:218710:224976,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AVRCSPXALLWKRK-UHFFFAOYSA-N
-rxn:4:218710:224977,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CDYLEWBKCWVJNS-UHFFFAOYSA-N
-rxn:4:218710:224986,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JICXNIVMCZNFQT-UHFFFAOYSA-N
-rxn:4:218710:224993,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cn5ccccc5=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFWIHYBZRDURGP-UHFFFAOYSA-N
-rxn:4:218710:224995,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OECSKXMRXTWMFC-UHFFFAOYSA-N
-rxn:4:218710:224997,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FFENAIQVJIGNOH-UHFFFAOYSA-N
-rxn:4:218710:224999,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KTGYVHZUBLFLJH-UHFFFAOYSA-N
-rxn:4:218710:225004,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(=O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FCZRJNJQKADPSA-UHFFFAOYSA-N
-rxn:4:218710:225026,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5OC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YPEPATMMGNRDOT-UHFFFAOYSA-N
-rxn:4:218710:225048,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RQSZXYGSXPRRDN-UHFFFAOYSA-N
-rxn:4:218710:225049,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(-c5cccc(C)n5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XQVLWXLELOOQAZ-UHFFFAOYSA-N
-rxn:4:218710:225055,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC(C)C5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OVANSUGCKVYXGP-UHFFFAOYSA-N
-rxn:4:218710:225059,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(C)CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SIHFDAXWYZMJCW-UHFFFAOYSA-N
-rxn:4:218710:225076,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)c5ncccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUBWTISRWOSUBN-UHFFFAOYSA-N
-rxn:4:218710:225077,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5cc(OC)c(OC)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXIPOSHCZPVUJN-UHFFFAOYSA-N
-rxn:4:218710:225096,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCn5ccnc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NSFCXCYAMSEZMV-UHFFFAOYSA-N
-rxn:4:218710:225097,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCn5cccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RIDVKIIZOYNWMQ-UHFFFAOYSA-N
-rxn:4:218710:225099,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCCn5ccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXVROWJEIPMHEZ-UHFFFAOYSA-N
-rxn:4:218710:225101,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C(=O)N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UDMLILWEHAQRNN-UHFFFAOYSA-N
-rxn:4:218710:225102,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ROTTVAYKJLQFKU-UHFFFAOYSA-N
-rxn:4:218710:225105,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(CC)CC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JATLQSUZDABBNF-UHFFFAOYSA-N
-rxn:4:218710:225110,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(=O)OC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OPLNXKSIYQNVRN-UHFFFAOYSA-N
-rxn:4:218710:225120,CCCc1nc(-c2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2)no1,SOQXEZJCAAHVFD-UHFFFAOYSA-N
-rxn:4:218710:225133,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)cc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ANGJHWYRGZNMMZ-UHFFFAOYSA-N
-rxn:4:218710:225135,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccccc5C#N)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GYUNMNWTMCYBEO-UHFFFAOYSA-N
-rxn:4:218710:225142,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVTYMIWTFIPJBU-UHFFFAOYSA-N
-rxn:4:218710:225143,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XAMVXSWMTRFTCP-UHFFFAOYSA-N
-rxn:4:218710:225148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VZDNBHAGTFGMAX-UHFFFAOYSA-N
-rxn:4:218710:225154,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(-c5cnn(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KIDBOXQHYHYPEW-UHFFFAOYSA-N
-rxn:4:218710:225155,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JRXGXRXNUWSJJJ-UHFFFAOYSA-N
-rxn:4:218710:225165,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OCEBWLLXYLKCRJ-UHFFFAOYSA-N
-rxn:4:218710:225168,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QNLMNGGTJXAQLY-UHFFFAOYSA-N
-rxn:4:218710:225171,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(CN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LUROQWQDBKOLQJ-UHFFFAOYSA-N
-rxn:4:218710:225178,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QYSSSCCRLYRVKF-UHFFFAOYSA-N
-rxn:4:218710:225181,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCOCC5)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HORNLEJPGRXSOU-UHFFFAOYSA-N
-rxn:4:218710:225193,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5COCCO5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ULLWFZOYVDMZDX-UHFFFAOYSA-N
-rxn:4:218710:225206,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)c(C)cc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QUIRNOWWVMNMPT-UHFFFAOYSA-N
-rxn:4:218710:225212,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(N5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YBPHNOHVAVOWBD-UHFFFAOYSA-N
-rxn:4:218710:225214,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5nccnc5C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BVZXGNCYBFZUKU-UHFFFAOYSA-N
-rxn:4:218710:225228,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YOIYBAUWOXRKKM-UHFFFAOYSA-N
-rxn:4:218710:225236,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccc(F)c5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SCGWDNKKMSFOOI-UHFFFAOYSA-N
-rxn:4:218710:225251,CCOC(=O)c1cnn2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc12,TYHKOFBHWPYEPJ-UHFFFAOYSA-N
-rxn:4:218710:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,LOYXVMHATLRLOF-UHFFFAOYSA-N
-rxn:4:218710:225263,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)OC)cc(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NYVSZYQVJCVISK-UHFFFAOYSA-N
-rxn:4:218710:225299,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(S(=O)(=O)N(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NKGSKTPPAVELKT-UHFFFAOYSA-N
-rxn:4:218710:225307,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5COC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NQGPTXANAKMVPC-UHFFFAOYSA-N
-rxn:4:218710:225318,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cc(N5CCOCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OBBXZGDBDGTHQF-UHFFFAOYSA-N
-rxn:4:218710:225326,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c([N+](=O)[O-])c1,AGVNPXSIVOCREX-UHFFFAOYSA-N
-rxn:4:218710:225346,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IJSAVNFVXZLZGP-UHFFFAOYSA-N
-rxn:4:218710:225360,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)n5cccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TWBAOTWRRLSJPA-UHFFFAOYSA-N
-rxn:4:218710:225361,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LTIBAHXJTNLZCB-UHFFFAOYSA-N
-rxn:4:218710:225362,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(S(=O)(=O)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DGYWMZYVEDRKHY-UHFFFAOYSA-N
-rxn:4:218710:225367,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCC(F)(F)CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DIQBPQAINJYKDE-UHFFFAOYSA-N
-rxn:4:218710:225381,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BMQKMZXBMDFMNN-UHFFFAOYSA-N
-rxn:4:218710:225391,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMLGJHLHSBFGER-UHFFFAOYSA-N
-rxn:4:218710:225392,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YRYPVYIZOWBDHP-UHFFFAOYSA-N
-rxn:4:218710:225396,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BNSZFEPGDNBJMX-UHFFFAOYSA-N
-rxn:4:218710:225397,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NGNCXTPSIVJAEW-UHFFFAOYSA-N
-rxn:4:218710:225398,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(C)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPTCNYHVWRYFBT-UHFFFAOYSA-N
-rxn:4:218710:225399,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(-c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKSMUPLRBJEYKF-UHFFFAOYSA-N
-rxn:4:218710:225404,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BORPOKZMUVSWEV-UHFFFAOYSA-N
-rxn:4:218710:225405,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUZNUOLFXIKXBR-UHFFFAOYSA-N
-rxn:4:218710:225419,CCOc1cc2ccccc2cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,KTTDXYVCPFZZCV-UHFFFAOYSA-N
-rxn:4:218710:225420,CCOc1c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc2ccccc12,JUTMJGJKBXWUBP-UHFFFAOYSA-N
-rxn:4:218710:225422,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGFFRXCKPCOQQG-UHFFFAOYSA-N
-rxn:4:218710:225426,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N(CC)CC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZIQWKUHOTUEIGN-UHFFFAOYSA-N
-rxn:4:218710:225436,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AILMHIOAYDSYML-UHFFFAOYSA-N
-rxn:4:218710:225457,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-c5ccc(C)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CFEZDLSVEUNNDB-UHFFFAOYSA-N
-rxn:4:218710:225458,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(-c5ccccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LZJQMGFEKIOGGS-UHFFFAOYSA-N
-rxn:4:218710:225460,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-c5ccccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GPTXRNKAQCVRLO-UHFFFAOYSA-N
-rxn:4:218710:225463,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(-c5ccccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CCWSKYWEOBNVPC-UHFFFAOYSA-N
-rxn:4:218710:225466,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JPTYJKTXDWXRKD-UHFFFAOYSA-N
-rxn:4:218710:225468,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVPKJDNCVCUYJU-UHFFFAOYSA-N
-rxn:4:218710:225470,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YAAMEJBGJUUGCL-UHFFFAOYSA-N
-rxn:4:218710:225471,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQSRZKUEPFRUMF-UHFFFAOYSA-N
-rxn:4:218710:225480,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FVUIDZVJGJJUDM-UHFFFAOYSA-N
-rxn:4:218710:225481,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccccc5)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PMQNWHDPFRIWJH-UHFFFAOYSA-N
-rxn:4:218710:225482,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XWRBCOSYOFQBPX-UHFFFAOYSA-N
-rxn:4:218710:225485,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TUQMROMIIXOTIZ-UHFFFAOYSA-N
-rxn:4:218710:225488,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4-c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YJEIOLNABHSOPR-UHFFFAOYSA-N
-rxn:4:218710:225496,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccccc5Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OYHSIUOTCQFZJG-UHFFFAOYSA-N
-rxn:4:218710:225500,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4-c4ccc(F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BNCPISBFXSGLPW-UHFFFAOYSA-N
-rxn:4:218710:225501,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BTQYHTMXZFAPSA-UHFFFAOYSA-N
-rxn:4:218710:225508,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)c(C4CC4)nn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FFBFYCHTBDJDGA-UHFFFAOYSA-N
-rxn:4:218710:225510,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c5nc(C)ccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKOUTPNUKJTNFK-UHFFFAOYSA-N
-rxn:4:218710:225511,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc(OC)cc(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KCXBYLCUVJPSGX-UHFFFAOYSA-N
-rxn:4:218710:225512,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cc([Si](C)(C)C)sc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LOQCFYUFHPOONN-UHFFFAOYSA-N
-rxn:4:218710:225527,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(CC)CC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DHNFXTISPONUSO-UHFFFAOYSA-N
-rxn:4:218710:225555,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NEVMJYUBFUXQRV-UHFFFAOYSA-N
-rxn:4:218710:225567,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XKSITVBJNADZRB-UHFFFAOYSA-N
-rxn:4:218710:225572,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)ccc4C(=O)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OSASHAGLMOMZLZ-UHFFFAOYSA-N
-rxn:4:218710:225580,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5cnn(CC)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DIUXPXZCPJRBHJ-UHFFFAOYSA-N
-rxn:4:218710:225587,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SWAONILYYBDEGJ-UHFFFAOYSA-N
-rxn:4:218710:225588,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CN4CCSCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NPJVMWZYSUUPSZ-UHFFFAOYSA-N
-rxn:4:218710:225589,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKZGYGFMWXCXPR-UHFFFAOYSA-N
-rxn:4:218710:225590,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCCC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FAYUIFVNDXJWPA-UHFFFAOYSA-N
-rxn:4:218710:225594,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FROPIECUXVNPMN-UHFFFAOYSA-N
-rxn:4:218710:225598,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCSCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BRLCWSRVMLKDJD-UHFFFAOYSA-N
-rxn:4:218710:225607,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCCCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PIWDEGPOVIXXGK-UHFFFAOYSA-N
-rxn:4:218710:225608,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQTZKKJLMKVBOD-UHFFFAOYSA-N
-rxn:4:218710:225610,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(C(=O)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JURAMIISIMUPCS-UHFFFAOYSA-N
-rxn:4:218710:225612,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccc5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCFOFPWZMDPURK-UHFFFAOYSA-N
-rxn:4:218710:225628,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5ccccc5OC)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DJQNLDTVSVHTPU-UHFFFAOYSA-N
-rxn:4:218710:225630,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5nc(C)cc5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BYSJTALEONRILO-UHFFFAOYSA-N
-rxn:4:218710:225632,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SECSETUSDGPOOL-UHFFFAOYSA-N
-rxn:4:218710:225645,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HECSQQHCCXBJCJ-UHFFFAOYSA-N
-rxn:4:218710:225646,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOCUQLIGTUXORQ-UHFFFAOYSA-N
-rxn:4:218710:225654,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC(C)C5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQZGOZDINOHSIQ-UHFFFAOYSA-N
-rxn:4:218710:225689,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5F)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JSUYBAOXFKOFLW-UHFFFAOYSA-N
-rxn:4:218710:225691,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4-c4cccc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BMYXQCRRGXPBPF-UHFFFAOYSA-N
-rxn:4:218710:225693,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4-c4ccccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XOTRYZCXCXPLDB-UHFFFAOYSA-N
-rxn:4:218710:225706,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ncn(C(C)C)c5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YKJLBNUCUBPDEE-UHFFFAOYSA-N
-rxn:4:218710:225721,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(CC)CC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GAXQINVDBPKHHE-UHFFFAOYSA-N
-rxn:4:218710:225732,CCOC(=O)Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,MHZAAJXOCWYMNQ-UHFFFAOYSA-N
-rxn:4:218710:225749,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)N(C)C)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HPFQNXQIHQYGNC-UHFFFAOYSA-N
-rxn:4:218710:225751,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OFZWLTRYZFAFSK-UHFFFAOYSA-N
-rxn:4:218710:225778,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccn5)cc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSZRHGIULLJCKP-UHFFFAOYSA-N
-rxn:4:218710:225782,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccnc5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NCYVFCOSJDDRCP-UHFFFAOYSA-N
-rxn:4:218710:225800,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCSC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DWQWTVOBLSEIKG-UHFFFAOYSA-N
-rxn:4:218710:225819,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXKOHSQOCOQVPO-UHFFFAOYSA-N
-rxn:4:218710:225825,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BVRXJWOMDJOHQJ-UHFFFAOYSA-N
-rxn:4:218710:225846,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccccc5Cl)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JIFBTSXRJCZCAJ-UHFFFAOYSA-N
-rxn:4:218710:225848,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LEGITIFSEYQXCB-UHFFFAOYSA-N
-rxn:4:218710:225850,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccnc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGZHFOPJKWESRE-UHFFFAOYSA-N
-rxn:4:218710:225851,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(-n5ccnc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YTTOVGCJHQGLSI-UHFFFAOYSA-N
-rxn:4:218710:225874,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DVFHUYAZQMFDEK-UHFFFAOYSA-N
-rxn:4:218710:225875,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XURRNKCBZWMKBY-UHFFFAOYSA-N
-rxn:4:218710:225877,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YLEPXXFVVINHPR-UHFFFAOYSA-N
-rxn:4:218710:225878,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GCKALCDFFTXHNN-UHFFFAOYSA-N
-rxn:4:218710:225879,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IJQFNGMHRJJJTA-UHFFFAOYSA-N
-rxn:4:218710:225880,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CCOCC5)ncc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NRLZKTTXOXHTRB-UHFFFAOYSA-N
-rxn:4:218710:225884,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5COCCO5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DMMKGKDEEOGTHW-UHFFFAOYSA-N
-rxn:4:218710:225898,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFEKHFZOEGXSDK-UHFFFAOYSA-N
-rxn:4:218710:225905,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NFMSTYGBUJFHFE-UHFFFAOYSA-N
-rxn:4:218710:225906,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)N(C)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QSKGPOKADGLGHE-UHFFFAOYSA-N
-rxn:4:218710:225911,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)OC)c(OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WPGOFVVCMSEUJG-UHFFFAOYSA-N
-rxn:4:218710:225916,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)OC)cc(OC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWVJLIQYIQOWTR-UHFFFAOYSA-N
-rxn:4:218710:225922,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ncon5)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LRMWIEJAEAECLB-UHFFFAOYSA-N
-rxn:4:218710:225926,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQYVRQLJMXYPIY-UHFFFAOYSA-N
-rxn:4:218710:225928,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(S(=O)(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,USKITSPOEIHXMF-UHFFFAOYSA-N
-rxn:4:218710:225931,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(S(=O)(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BSWLNTHIPHIYMD-UHFFFAOYSA-N
-rxn:4:218710:225953,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cc(C)cn5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVAFNRNRVJWPPN-UHFFFAOYSA-N
-rxn:4:218710:225962,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5ccc(C)n5)ncc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UKZHGRCAOKOARA-UHFFFAOYSA-N
-rxn:4:218710:225967,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5ccnc5C)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UPEZKNWAMKQMRM-UHFFFAOYSA-N
-rxn:4:218710:225987,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCS5(=O)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NBWPTJMSKOTNJL-UHFFFAOYSA-N
-rxn:4:218710:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,NDNVAVXFRVDZLV-UHFFFAOYSA-N
-rxn:4:218710:225992,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(CC(C)C)nc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DEFAZFGVTSMZHF-UHFFFAOYSA-N
-rxn:4:218710:225993,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)c([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VMKXNQGPLZHKAV-UHFFFAOYSA-N
-rxn:4:218710:225998,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)OC)cc([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XYRWIWKDPMKKRT-UHFFFAOYSA-N
-rxn:4:218710:226030,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(OC)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KYXUKDOYGCOJEE-UHFFFAOYSA-N
-rxn:4:218710:226068,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OOXCXSXWRNFETI-UHFFFAOYSA-N
-rxn:4:218710:226084,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(=O)CCCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXGAXVKHHREKBK-UHFFFAOYSA-N
-rxn:4:218710:226101,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(CC)CC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SRAZMHNQFKNQFZ-UHFFFAOYSA-N
-rxn:4:218710:226105,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASELFPHKUPPNNP-UHFFFAOYSA-N
-rxn:4:218710:226124,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)ccc4COC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JWJMDYQVBMZVRB-UHFFFAOYSA-N
-rxn:4:218710:226125,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(COC)cc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XAYOUQSSPVDRSV-UHFFFAOYSA-N
-rxn:4:218710:226132,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5(C#N)CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YKPHEVNQCZIUJQ-UHFFFAOYSA-N
-rxn:4:218710:226134,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)cc(C5CC5)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IKVFJDBFSDKNDW-UHFFFAOYSA-N
-rxn:4:218710:226155,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)=O)cc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JUFWARJTROQUML-UHFFFAOYSA-N
-rxn:4:218710:226174,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OGJNTGRXAXBIGI-UHFFFAOYSA-N
-rxn:4:218710:226175,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PTAORLSGAPIWNT-UHFFFAOYSA-N
-rxn:4:218710:226192,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5ccccc5C)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HJEOPVLSTPRFSB-UHFFFAOYSA-N
-rxn:4:218710:226198,CCCn1ncc2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc21,FQYQXHPQWIZUNP-UHFFFAOYSA-N
-rxn:4:218710:226200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)ncn5C(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GCWWCXNXGVWHIJ-UHFFFAOYSA-N
-rxn:4:218710:226201,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nn(C(C)C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXHZKFXSOFJMIE-UHFFFAOYSA-N
-rxn:4:218710:226202,CCc1nn(C)c2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc12,OISDHKWZAOWJLG-UHFFFAOYSA-N
-rxn:4:218710:226207,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cnc(OC)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RCXFSWOAEWERQZ-UHFFFAOYSA-N
-rxn:4:218710:226208,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(OC)ncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MRMRCZYVTSCREZ-UHFFFAOYSA-N
-rxn:4:218710:226209,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c5ncccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QQTFTDQLDFCJKZ-UHFFFAOYSA-N
-rxn:4:218710:226210,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc(OC)ccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WQPPKKGEIOZRAT-UHFFFAOYSA-N
-rxn:4:218710:226212,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCC5=NOC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGHLZDXEISROLG-UHFFFAOYSA-N
-rxn:4:218710:226217,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(C)cc(OC)c5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KOXMAQANFQAPMK-UHFFFAOYSA-N
-rxn:4:218710:226237,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCCN(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IKSNFUIHCNYMBG-UHFFFAOYSA-N
-rxn:4:218710:226240,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCC(=O)OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YZNRUSKUTCXVDN-UHFFFAOYSA-N
-rxn:4:218710:226243,CCOC(=O)Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,AMBGFXNTSLGVNY-UHFFFAOYSA-N
-rxn:4:218710:226307,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(COC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GMGPOVDMQVQWFR-UHFFFAOYSA-N
-rxn:4:218710:226314,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LFQSMNXLARKLQH-UHFFFAOYSA-N
-rxn:4:218710:226315,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cn5ccnc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VYSGGXMZXLYLQG-UHFFFAOYSA-N
-rxn:4:218710:226316,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncn4Cc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XIDAZQIDUJAMLV-UHFFFAOYSA-N
-rxn:4:218710:226317,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cn5cccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QBTGNFKILFEWTE-UHFFFAOYSA-N
-rxn:4:218710:226319,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKFBLFFOCJAWNT-UHFFFAOYSA-N
-rxn:4:218710:226321,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC5CCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FBBQSHREKUVSHO-UHFFFAOYSA-N
-rxn:4:218710:226328,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)C#N)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HMWDLYKEWMFVRJ-UHFFFAOYSA-N
-rxn:4:218710:226332,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C(=O)N4CCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VTTKPFZQPQETSX-UHFFFAOYSA-N
-rxn:4:218710:226333,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N5CCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NLSSODJBZDODFB-UHFFFAOYSA-N
-rxn:4:218710:226343,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CCOC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BZAHBTWXUHCCOZ-UHFFFAOYSA-N
-rxn:4:218710:226357,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBJVWTOKABYJEV-UHFFFAOYSA-N
-rxn:4:218710:226359,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccnn5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NVHBTEVIIJZBFH-UHFFFAOYSA-N
-rxn:4:218710:226362,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccn(C)n5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OFJGRNSBPWAVHM-UHFFFAOYSA-N
-rxn:4:218710:226373,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPUQTUTVMUKMET-UHFFFAOYSA-N
-rxn:4:218710:226377,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccn5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LDVAHBYXOPUEDK-UHFFFAOYSA-N
-rxn:4:218710:226380,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccnc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFTZGOPCZIZVRM-UHFFFAOYSA-N
-rxn:4:218710:226381,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(-c5cccc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YKNMXJWDXQHNCV-UHFFFAOYSA-N
-rxn:4:218710:226418,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4sc(-c5ccccc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KKNJXWJHMMKSCR-UHFFFAOYSA-N
-rxn:4:218710:226426,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(C)CC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XNONAGXKNLXVSR-UHFFFAOYSA-N
-rxn:4:218710:226427,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCC(C)CC5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VTFYPDADXPWRCK-UHFFFAOYSA-N
-rxn:4:218710:226432,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCC5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NRBKGAIFLYPELH-UHFFFAOYSA-N
-rxn:4:218710:226433,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(-c5cncs5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GOLTUSIWKIHAMG-UHFFFAOYSA-N
-rxn:4:218710:226436,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(-c5cscn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PRGOBLUSCQENSU-UHFFFAOYSA-N
-rxn:4:218710:226438,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FIRJXDHEAXABQC-UHFFFAOYSA-N
-rxn:4:218710:226439,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccc5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OKPXHNOWRMVCAB-UHFFFAOYSA-N
-rxn:4:218710:226449,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C4(C)OCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KCIKOQVKRGLZJO-UHFFFAOYSA-N
-rxn:4:218710:226456,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5F)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KCHVEYJHIAYWKT-UHFFFAOYSA-N
-rxn:4:218710:226461,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc5c4ccn5C(C)=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QRNNVKLBVDRBSS-UHFFFAOYSA-N
-rxn:4:218710:226465,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)n(C)c(=O)n5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UAPRPZLKCYDNAI-UHFFFAOYSA-N
-rxn:4:218710:226466,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OCC(=O)N5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KDPOOXMKMJAHJC-UHFFFAOYSA-N
-rxn:4:218710:226470,CCOC(=O)CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cs1,JGZLCFSHRUBZRD-UHFFFAOYSA-N
-rxn:4:218710:226483,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4OCCOC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YIZAKGWTTZPVTJ-UHFFFAOYSA-N
-rxn:4:218710:226484,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)cc4OCCOC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCNUBWGAAINFRX-UHFFFAOYSA-N
-rxn:4:218710:226490,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCCOC)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IIBOJFMFHHTKPB-UHFFFAOYSA-N
-rxn:4:218710:226492,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCCOC)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HGPLNYZZWVPHSN-UHFFFAOYSA-N
-rxn:4:218710:226494,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(CC)CC)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FHVQUKKKCVTRIS-UHFFFAOYSA-N
-rxn:4:218710:226504,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UHIIYIVURZZWME-UHFFFAOYSA-N
-rxn:4:218710:226512,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4OCC4CCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CPNQKQKDUCMQSP-UHFFFAOYSA-N
-rxn:4:218710:226518,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SRVNHZVOFREEPV-UHFFFAOYSA-N
-rxn:4:218710:226520,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AXYZXPBOIPRJFA-UHFFFAOYSA-N
-rxn:4:218710:226535,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AQAKFMDGJMICGQ-UHFFFAOYSA-N
-rxn:4:218710:226544,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OCAQNBQOTGHHKU-UHFFFAOYSA-N
-rxn:4:218710:226548,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC(=O)OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HIONHJFMVSQUPW-UHFFFAOYSA-N
-rxn:4:218710:226549,CCOc1c(Cl)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1OC,LHWRWPRTZWSCCP-UHFFFAOYSA-N
-rxn:4:218710:226561,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OUNQNBVZQFGZKF-UHFFFAOYSA-N
-rxn:4:218710:226568,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(Cc5cccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YIHVRUSPCMFOIN-UHFFFAOYSA-N
-rxn:4:218710:226577,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(C(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VMQGIIMAUVNDIX-UHFFFAOYSA-N
-rxn:4:218710:226579,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CUUXURKWVFDNQN-UHFFFAOYSA-N
-rxn:4:218710:226585,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)N(C)C)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NDKSAPWKLKDDKN-UHFFFAOYSA-N
-rxn:4:218710:226586,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(OC5CCOC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NWTAPGNMNUQTHX-UHFFFAOYSA-N
-rxn:4:218710:226590,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CCOC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ADKQAHQSBJVFKC-UHFFFAOYSA-N
-rxn:4:218710:226610,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc(C(F)(F)F)c1,QPBBLJYEDPZHSN-UHFFFAOYSA-N
-rxn:4:218710:226613,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccn(C)n5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZMWZJINUSTVABZ-UHFFFAOYSA-N
-rxn:4:218710:226614,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-n5cnc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVRWEMZUNMCDCQ-UHFFFAOYSA-N
-rxn:4:218710:226617,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccccn5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DEPPBCGDPFPEPY-UHFFFAOYSA-N
-rxn:4:218710:226620,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-n5ccc(C)n5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RAPSAVXVDYPYOZ-UHFFFAOYSA-N
-rxn:4:218710:226622,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccncc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWUZVBZGTIOUIU-UHFFFAOYSA-N
-rxn:4:218710:226627,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5cccnc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HWRHMLPFGZNGHX-UHFFFAOYSA-N
-rxn:4:218710:226628,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GLFWTBZCFYLDKD-UHFFFAOYSA-N
-rxn:4:218710:226641,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(-n5cc(C)cn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,INAGDBZNIFBEPG-UHFFFAOYSA-N
-rxn:4:218710:226644,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AIKMATLRNUZUTM-UHFFFAOYSA-N
-rxn:4:218710:226645,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YAPRMKOCQDXRGK-UHFFFAOYSA-N
-rxn:4:218710:226661,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GIEIUKPXEYUZRD-UHFFFAOYSA-N
-rxn:4:218710:226665,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCOC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBWLHZFQOQUYPC-UHFFFAOYSA-N
-rxn:4:218710:226679,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DSKYBIHESPWTJU-UHFFFAOYSA-N
-rxn:4:218710:226688,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5nccs5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DRSTXIQOMIVVQV-UHFFFAOYSA-N
-rxn:4:218710:226692,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5c(C)noc5C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QSESGXQHRYOPCS-UHFFFAOYSA-N
-rxn:4:218710:226695,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cncs5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXAMLCXULTWOLN-UHFFFAOYSA-N
-rxn:4:218710:226698,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccco5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LOAMRLKNQNTALE-UHFFFAOYSA-N
-rxn:4:218710:226700,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccs5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OSPYKNVJBFNQBO-UHFFFAOYSA-N
-rxn:4:218710:226709,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C(F)(F)F)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WXBMLPPHQTZTBQ-UHFFFAOYSA-N
-rxn:4:218710:226734,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXHRFKOHRNIZHB-UHFFFAOYSA-N
-rxn:4:218710:226768,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NGKNPJMBJVQSGM-UHFFFAOYSA-N
-rxn:4:218710:226788,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5ccnc5C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JEEBBAPJUMANPT-UHFFFAOYSA-N
-rxn:4:218710:226791,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccn5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QSWGTRKCRUBVSX-UHFFFAOYSA-N
-rxn:4:218710:226793,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(-c5ccc(F)cn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HNTVLNBGBOFPGQ-UHFFFAOYSA-N
-rxn:4:218710:226794,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCSCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JLSMJEPTTGHMRH-UHFFFAOYSA-N
-rxn:4:218710:226835,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)nn4C(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UFHXQAJAAVATAV-UHFFFAOYSA-N
-rxn:4:218710:226837,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)nn(CC(F)(F)F)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HILVSONCJQUCCA-UHFFFAOYSA-N
-rxn:4:218710:226871,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)cc4OC(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VWCWNWJFOOQBMD-UHFFFAOYSA-N
-rxn:4:218710:226898,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)N(C)C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XXVZMMJAOOMLSH-UHFFFAOYSA-N
-rxn:4:218710:226908,CCCCCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,JEMJZFLQEGGALD-UHFFFAOYSA-N
-rxn:4:218710:226928,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ccn(CC)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QRWYPCIHDNTTLN-UHFFFAOYSA-N
-rxn:4:218710:226932,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5ccc(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SOFJUAORIVLMJM-UHFFFAOYSA-N
-rxn:4:218710:226933,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5ccccc5c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PMJZRZAIQAZJGS-UHFFFAOYSA-N
-rxn:4:218710:226936,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)cncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VDDITNCOGZXEOD-UHFFFAOYSA-N
-rxn:4:218710:226937,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C)nccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UMCKANAXWFDLAJ-UHFFFAOYSA-N
-rxn:4:218710:226938,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)nccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SYAISTNHZAYSGZ-UHFFFAOYSA-N
-rxn:4:218710:226939,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccnc(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPWCWWBNEWGVBE-UHFFFAOYSA-N
-rxn:4:218710:226941,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cnc(C)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SFJDOUZBHVLTOV-UHFFFAOYSA-N
-rxn:4:218710:226947,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ccc(C)nc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HBULLTGDUPCWRM-UHFFFAOYSA-N
-rxn:4:218710:226948,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XFSDRGIFACHARB-UHFFFAOYSA-N
-rxn:4:218710:226950,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5ncccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GADNQYALFMQZMQ-UHFFFAOYSA-N
-rxn:4:218710:226951,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(C)ncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AHMQGRQKJJFWHV-UHFFFAOYSA-N
-rxn:4:218710:226952,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cccnc5c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VCSANOKVHJMLPL-UHFFFAOYSA-N
-rxn:4:218710:226953,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccc5cccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KZFSHPRXSYVNLW-UHFFFAOYSA-N
-rxn:4:218710:226973,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(C)(C)CO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HBJQJPHJKDVBCV-UHFFFAOYSA-N
-rxn:4:218710:226979,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccccc5c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QUBXKDYNUHUJTD-UHFFFAOYSA-N
-rxn:4:218710:226989,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(CC)CC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BZVJDJBKGFGGLE-UHFFFAOYSA-N
-rxn:4:218710:227003,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPVAVAQWAUFYRE-UHFFFAOYSA-N
-rxn:4:218710:227017,CC=CCOc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,NOPICJSLTPZJQY-UHFFFAOYSA-N
-rxn:4:218710:227019,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)(C)C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OJMYOFNOMZIDFE-UHFFFAOYSA-N
-rxn:4:218710:227022,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOFYWTYQUMSOPW-UHFFFAOYSA-N
-rxn:4:218710:227023,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KMBBWPJYLSJMJP-UHFFFAOYSA-N
-rxn:4:218710:227024,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HTCRNTDOAXLWHF-UHFFFAOYSA-N
-rxn:4:218710:227047,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(SC5CCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GCLRLZYQJUKTFP-UHFFFAOYSA-N
-rxn:4:218710:227072,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AJBRWZWMMYEFOW-UHFFFAOYSA-N
-rxn:4:218710:227088,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IHYFJVVFJAGPMX-UHFFFAOYSA-N
-rxn:4:218710:227092,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCC5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QTGTWCLEMHEAPP-UHFFFAOYSA-N
-rxn:4:218710:227095,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC(=O)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UAGLWSIOOLXDTI-UHFFFAOYSA-N
-rxn:4:218710:227100,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C5CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZEOOLZIYNAXSKE-UHFFFAOYSA-N
-rxn:4:218710:227111,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C5CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CNEZZUVYPBASHV-UHFFFAOYSA-N
-rxn:4:218710:227114,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(C)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CMCOJPJEEZJCBN-UHFFFAOYSA-N
-rxn:4:218710:227116,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(Cl)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RBWQYRFHTKWELI-UHFFFAOYSA-N
-rxn:4:218710:227126,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCOC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LSQZSSYDIKILBO-UHFFFAOYSA-N
-rxn:4:218710:227142,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(OC)ccc5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SBASURGQRITEAT-UHFFFAOYSA-N
-rxn:4:218710:227144,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cccc(OC)c5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TWWITANLAOYUNJ-UHFFFAOYSA-N
-rxn:4:218710:227152,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4c(C)nn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YBLYUBHLPVRONH-UHFFFAOYSA-N
-rxn:4:218710:227157,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc5c4cnn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGWIUPUDWGBXDE-UHFFFAOYSA-N
-rxn:4:218710:227158,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5nn(C)c(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VUFJGEYQGHUHDQ-UHFFFAOYSA-N
-rxn:4:218710:227160,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C)n(C)nc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DWJQSNPZMMVPCM-UHFFFAOYSA-N
-rxn:4:218710:227161,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nn(C)c(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LIWPMYMKZKACME-UHFFFAOYSA-N
-rxn:4:218710:227163,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(F)cccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HEFGPJGDRQROMD-UHFFFAOYSA-N
-rxn:4:218710:227165,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccc(Cl)cc5n4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OPOOLKCFKSKIHU-UHFFFAOYSA-N
-rxn:4:218710:227169,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c5ncccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTYUQXKNAZTGDP-UHFFFAOYSA-N
-rxn:4:218710:227184,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5ccccc5c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCRZLGMVPWXQHH-UHFFFAOYSA-N
-rxn:4:218710:227185,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUGCLYDYNUCEFW-UHFFFAOYSA-N
-rxn:4:218710:227189,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccc(Cl)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DNHQLARKHWVFTA-UHFFFAOYSA-N
-rxn:4:218710:227190,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5ccc(Cl)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XHRILYMOLRWIDX-UHFFFAOYSA-N
-rxn:4:218710:227195,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc5ccncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QCWBHHOUUNTBBG-UHFFFAOYSA-N
-rxn:4:218710:227199,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)N(C)C(=O)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LFVYMYZLTBZZPI-UHFFFAOYSA-N
-rxn:4:218710:227200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(Cl)cccc5n4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DSFIGKAHMVULMP-UHFFFAOYSA-N
-rxn:4:218710:227215,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCOC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RFXAWBPEZGNGEN-UHFFFAOYSA-N
-rxn:4:218710:227216,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCCOC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZAWQZZXGVTVJBW-UHFFFAOYSA-N
-rxn:4:218710:227220,CCOCSc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,AKUZDAQEMKGPCP-UHFFFAOYSA-N
-rxn:4:218710:227238,CCOC(=O)c1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,VQAVKJCHJXEOEX-UHFFFAOYSA-N
-rxn:4:218710:227241,CCOc1ccc(OC)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,GLJALGGOHQUOLE-UHFFFAOYSA-N
-rxn:4:218710:227244,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1OC,LFHHLPGPZDYKGJ-UHFFFAOYSA-N
-rxn:4:218710:227245,CCOc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1OC,KFIWPODILVHNPC-UHFFFAOYSA-N
-rxn:4:218710:227246,CCCOc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1F,LHJMEGKRXBUTCW-UHFFFAOYSA-N
-rxn:4:218710:227251,CCCOc1ccc(F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,NDCHUMVFRAPQEP-UHFFFAOYSA-N
-rxn:4:218710:227253,CCCOc1ccc(Cl)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,SAAIHIMSLGYPSG-UHFFFAOYSA-N
-rxn:4:218710:227256,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(OC)c1,NQJVVOIQDBJMJC-UHFFFAOYSA-N
-rxn:4:218710:227260,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(COC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DDVICPHDMLGUGD-UHFFFAOYSA-N
-rxn:4:218710:227264,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4COC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QJWNECMCVUWFQP-UHFFFAOYSA-N
-rxn:4:218710:227272,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(COC)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MHCNAUFAESYQGK-UHFFFAOYSA-N
-rxn:4:218710:227277,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CUFJWAIAHLGHRT-UHFFFAOYSA-N
-rxn:4:218710:227278,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WUFVYYCJXBKKLP-UHFFFAOYSA-N
-rxn:4:218710:227292,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(CN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUYBSIRFGADJCR-UHFFFAOYSA-N
-rxn:4:218710:227301,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4CN(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SNYFZDGWXWEFPX-UHFFFAOYSA-N
-rxn:4:218710:227311,CCC(C)c1cc(F)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,CBJYWNFBLPHONC-UHFFFAOYSA-N
-rxn:4:218710:227321,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C5CC5)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSJCMDBUNZXTQV-UHFFFAOYSA-N
-rxn:4:218710:227335,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)cc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFCZQGAPVJPZPT-UHFFFAOYSA-N
-rxn:4:218710:227344,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BSALQSVNAVUUPP-UHFFFAOYSA-N
-rxn:4:218710:227347,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(C)C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASJHIGDWJBNTEF-UHFFFAOYSA-N
-rxn:4:218710:227349,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKAYOZXQTZHSOE-UHFFFAOYSA-N
-rxn:4:218710:227350,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)cc(C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IKYNLLUTQBPDOI-UHFFFAOYSA-N
-rxn:4:218710:227353,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGTQSNUFTLWKBP-UHFFFAOYSA-N
-rxn:4:218710:227361,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSRPHKDICTVQFT-UHFFFAOYSA-N
-rxn:4:218710:227363,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(F)c4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JBKMFNCONUJDSZ-UHFFFAOYSA-N
-rxn:4:218710:227375,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ODUFGFIDHCZNJN-UHFFFAOYSA-N
-rxn:4:218710:227379,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4N4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OAXFQWWFGPQHRN-UHFFFAOYSA-N
-rxn:4:218710:227381,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXXFVCKNVYQZJH-UHFFFAOYSA-N
-rxn:4:218710:227403,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VMWOOUQKALXOBL-UHFFFAOYSA-N
-rxn:4:218710:227404,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCCC5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FCODMSVWDYOPTI-UHFFFAOYSA-N
-rxn:4:218710:227407,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cnc4C(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LJTVOVIWOKBTGD-UHFFFAOYSA-N
-rxn:4:218710:227426,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCO5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVWPIUDHNPPRFJ-UHFFFAOYSA-N
-rxn:4:218710:227437,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C5CCCO5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DELNSMAUIYOEOK-UHFFFAOYSA-N
-rxn:4:218710:227448,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5COC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NPKVPDLEPJEGJJ-UHFFFAOYSA-N
-rxn:4:218710:227457,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cn5c(C)nnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LFPXCUAPAFPJKB-UHFFFAOYSA-N
-rxn:4:218710:227461,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LOEIZGAVLFJQGR-UHFFFAOYSA-N
-rxn:4:218710:227473,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CC[N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTPILOKKLBRSOW-UHFFFAOYSA-N
-rxn:4:218710:227474,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC[N+](=O)[O-])cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FAIZZPJZJDZYBN-UHFFFAOYSA-N
-rxn:4:218710:227476,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,ZHBOLCBPKJOPOJ-UHFFFAOYSA-N
-rxn:4:218710:227481,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4C(OC)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPFPCWKVBAFJOB-UHFFFAOYSA-N
-rxn:4:218710:227487,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4OCSC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GURBPXTZUJXELI-UHFFFAOYSA-N
-rxn:4:218710:227493,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)nc4CC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CPIHLBGROJBYOA-UHFFFAOYSA-N
-rxn:4:218710:227498,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XBXJVSISNRFFKD-UHFFFAOYSA-N
-rxn:4:218710:227499,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(N(C)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UXILNNSDEWMDBX-UHFFFAOYSA-N
-rxn:4:218710:227513,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SGFGKWRHCGCUIS-UHFFFAOYSA-N
-rxn:4:218710:227514,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)nc(OC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPVSDKQGROUYDU-UHFFFAOYSA-N
-rxn:4:218710:227519,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(=O)OC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KKKILSHQBAMFBC-UHFFFAOYSA-N
-rxn:4:218710:227528,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UZRZVSGKAZFFIE-UHFFFAOYSA-N
-rxn:4:218710:227529,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWDLEKKNDPDGGU-UHFFFAOYSA-N
-rxn:4:218710:227531,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NRVQIBQVGXBGFN-UHFFFAOYSA-N
-rxn:4:218710:227540,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(SC)cc(F)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKNOLHATDNRCPG-UHFFFAOYSA-N
-rxn:4:218710:227546,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)OC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VCDRFFJZJPMHAR-UHFFFAOYSA-N
-rxn:4:218710:227560,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(C(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BAEHUXYGFLUCQT-UHFFFAOYSA-N
-rxn:4:218710:227561,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(OC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WSYCQQMSDKXTHV-UHFFFAOYSA-N
-rxn:4:218710:227566,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(F)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GPUSZBKKPMIEED-UHFFFAOYSA-N
-rxn:4:218710:227580,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LMFFMEBSEOFRRJ-UHFFFAOYSA-N
-rxn:4:218710:227583,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(Cl)c1F,MQIZDLABWYAKCV-UHFFFAOYSA-N
-rxn:4:218710:227586,CCOc1ccc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1F,YKFHEAQASZUVNH-UHFFFAOYSA-N
-rxn:4:218710:227610,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(C5CCCCO5)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NPBLTULRIKTCFK-UHFFFAOYSA-N
-rxn:4:218710:227616,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MDYDRLHSMAIKLC-UHFFFAOYSA-N
-rxn:4:218710:227618,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UAMFGSUPYMRMKN-UHFFFAOYSA-N
-rxn:4:218710:227619,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5cc(C)cn5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NYGHXBWVAZJCMW-UHFFFAOYSA-N
-rxn:4:218710:227622,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5ccc(C)n5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WAVHPCSYIQMKOO-UHFFFAOYSA-N
-rxn:4:218710:227639,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5cccs5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXYIQGFHJZOOKH-UHFFFAOYSA-N
-rxn:4:218710:227641,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccco5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQWOBCXEWWPJRH-UHFFFAOYSA-N
-rxn:4:218710:227654,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5OCCO5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HUHVNZLGCHXZAP-UHFFFAOYSA-N
-rxn:4:218710:227655,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(F)c(N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LSPVFURTFLQPKP-UHFFFAOYSA-N
-rxn:4:218710:227656,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCOCC5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SXOCMAATRJXOHZ-UHFFFAOYSA-N
-rxn:4:218710:227658,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(N(C)C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMUWFHLAHYHOFE-UHFFFAOYSA-N
-rxn:4:218710:227669,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(F)c(OC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YBDSAECMPQGZTR-UHFFFAOYSA-N
-rxn:4:218710:227678,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(c4)nnn5CC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HRHAEPRRMPWCCA-UHFFFAOYSA-N
-rxn:4:218710:227681,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CC(OC)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NEQWUMCXGQEGGV-UHFFFAOYSA-N
-rxn:4:218710:227684,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CC5OCCO5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NBJLGDZKNDXXDC-UHFFFAOYSA-N
-rxn:4:218710:227720,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(F)F)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DLCQEBSHXVBZMR-UHFFFAOYSA-N
-rxn:4:218710:227729,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5cscn5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,USLCPJUVSUVOMI-UHFFFAOYSA-N
-rxn:4:218710:227786,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(F)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AOJMLIGGRPWSDF-UHFFFAOYSA-N
-rxn:4:218710:227807,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4CCCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWGHWSSTNIVYDP-UHFFFAOYSA-N
-rxn:4:218710:227825,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QZOCHHSCKLZXPT-UHFFFAOYSA-N
-rxn:4:218710:227832,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JAAZXUXGEACFSW-UHFFFAOYSA-N
-rxn:4:218710:227837,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QVHLMDVFNIQSBT-UHFFFAOYSA-N
-rxn:4:218710:227853,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4ccn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RNRGUUGRCBBJQN-UHFFFAOYSA-N
-rxn:4:218710:227855,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccccc5n4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DEDDVHGBOCPEOP-UHFFFAOYSA-N
-rxn:4:218710:227857,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ccn(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXTKAFMGPBQHDA-UHFFFAOYSA-N
-rxn:4:218710:227858,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4CN(C)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WHIGXQGPUOLKFN-UHFFFAOYSA-N
-rxn:4:218710:227859,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccn(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QKNDBLRLTSKFQX-UHFFFAOYSA-N
-rxn:4:218710:227865,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4sc5ccccc5c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UHHPCIPMWCRQPP-UHFFFAOYSA-N
-rxn:4:218710:227866,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(C)ccc5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QEPMWSLMFYTLJK-UHFFFAOYSA-N
-rxn:4:218710:227886,CCCOc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,KNFGHKZVPLMAAT-UHFFFAOYSA-N
-rxn:4:218710:227887,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCOC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UWGXDHXKDKQZCJ-UHFFFAOYSA-N
-rxn:4:218710:227889,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CCOC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BTKBZHXXYDWWCT-UHFFFAOYSA-N
-rxn:4:218710:227894,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(/C=C/C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UVRCUJVZTLEPRU-FNORWQNLSA-N
-rxn:4:218710:227904,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)CC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AUWLUDYMDOIBAZ-UHFFFAOYSA-N
-rxn:4:218710:227906,CCC(C)c1ncccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,MQGPBVIZVYIZGF-UHFFFAOYSA-N
-rxn:4:218710:227913,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ISHWDLSHVITFNP-UHFFFAOYSA-N
-rxn:4:218710:227919,CCOc1cc(C)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,IFBCDQLLPGUMNB-UHFFFAOYSA-N
-rxn:4:218710:227924,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)c1,PUKHBYNEZZFTCZ-UHFFFAOYSA-N
-rxn:4:218710:227937,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(SC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VNTLZMPFXDQYMS-UHFFFAOYSA-N
-rxn:4:218710:227945,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CLHJHOIZVVCDRQ-UHFFFAOYSA-N
-rxn:4:218710:227949,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C#N)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WNYOIQLSSAMFSF-UHFFFAOYSA-N
-rxn:4:218710:227951,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc([N+](C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WMJKVQKREVXOSF-UHFFFAOYSA-N
-rxn:4:218710:227956,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(C(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QAFCAQHXGMXOFK-UHFFFAOYSA-N
-rxn:4:218710:227963,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQVKALHTXXPIQY-UHFFFAOYSA-N
-rxn:4:218710:227971,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnccc4C(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RTZMFMUTAXQKRA-UHFFFAOYSA-N
-rxn:4:218710:227976,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VXYLXFAQQOOFGY-UHFFFAOYSA-N
-rxn:4:218710:227977,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WQPBKAIGXJCSLB-UHFFFAOYSA-N
-rxn:4:218710:227979,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NUJGILBOXCBBSP-UHFFFAOYSA-N
-rxn:4:218710:227982,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DFKGESBPBYAWCR-UHFFFAOYSA-N
-rxn:4:218710:227993,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccc(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DTLAPOAADCKZLP-UHFFFAOYSA-N
-rxn:4:218710:227994,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)C)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZWGKZQKKNCPCPE-UHFFFAOYSA-N
-rxn:4:218710:227995,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(C)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OBBSISYCBCHQRI-UHFFFAOYSA-N
-rxn:4:218710:228021,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(C(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOSZWGQSDLCFJV-UHFFFAOYSA-N
-rxn:4:218710:228028,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5nn(C)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WRGWLBIIEFDUSD-UHFFFAOYSA-N
-rxn:4:218710:228033,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ncn(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UJDXAHFFHACSKW-UHFFFAOYSA-N
-rxn:4:218710:228037,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cn(C)nc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OUBZVINPICCRKZ-UHFFFAOYSA-N
-rxn:4:218710:228038,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)ncn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BBBVTHOQTZOBAU-UHFFFAOYSA-N
-rxn:4:218710:228043,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ncn(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VRCKNTJACYWRGY-UHFFFAOYSA-N
-rxn:4:218710:228047,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)n5ccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IJWRTFZDFDIITN-UHFFFAOYSA-N
-rxn:4:218710:228049,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc(C)cn5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZOIPVTBLFUQBQV-UHFFFAOYSA-N
-rxn:4:218710:228056,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5nccn5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FBPIYZMADBPABN-UHFFFAOYSA-N
-rxn:4:218710:228071,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4OCCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HDRHPFNVEFVDNZ-UHFFFAOYSA-N
-rxn:4:218710:228084,CCCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,RQBLFCAGCXFRGW-UHFFFAOYSA-N
-rxn:4:218710:228091,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(CC)CC)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CBLHRBZGTRFWJO-UHFFFAOYSA-N
-rxn:4:218710:228100,CCCn1nc(C)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1C,FCBWCHGWEUHOOP-UHFFFAOYSA-N
-rxn:4:218710:228102,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncnc4CC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AZGOSTUGNOKXMT-UHFFFAOYSA-N
-rxn:4:218710:228105,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N(C)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KRJVKUFQWFIRDT-UHFFFAOYSA-N
-rxn:4:218710:228106,CCC(C)c1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,JXIAUTSMXROUIP-UHFFFAOYSA-N
-rxn:4:218710:228110,CCc1cnc(C#N)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,XNZVRQUKJCYCFK-UHFFFAOYSA-N
-rxn:4:218710:228124,CCOc1cc(C)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,FEMJRSWLELBTRH-UHFFFAOYSA-N
-rxn:4:218710:228125,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(OC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,POJZBRPKOSPKGN-UHFFFAOYSA-N
-rxn:4:218710:228134,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)n1,ZXSABCCFWFWPNG-UHFFFAOYSA-N
-rxn:4:218710:228135,CCOc1cc(C)ncc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,QVNBFYWRQFHPQQ-UHFFFAOYSA-N
-rxn:4:218710:228137,CCOc1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,HYERKABWAIYXIO-UHFFFAOYSA-N
-rxn:4:218710:228140,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N(C)C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOESXUKZXSWPQG-UHFFFAOYSA-N
-rxn:4:218710:228155,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWWIBKROZFYUBB-UHFFFAOYSA-N
-rxn:4:218710:228157,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXBBHLJKAYALRY-UHFFFAOYSA-N
-rxn:4:218710:228176,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IQZOCMSHYRCCHN-UHFFFAOYSA-N
-rxn:4:218710:228180,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(COC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DJFVBKOYVTVGBS-UHFFFAOYSA-N
-rxn:4:218710:228183,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(COC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GNFDUOULFAGFIA-UHFFFAOYSA-N
-rxn:4:218710:228187,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FRYLXQOPPZOVKM-UHFFFAOYSA-N
-rxn:4:218710:228194,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)nn(C(C)C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NUNAQJJJVKRRDM-UHFFFAOYSA-N
-rxn:4:218710:228195,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C(C)(C)C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKWBBGYNZSNHQY-UHFFFAOYSA-N
-rxn:4:218710:228197,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TVOCHKCVLITODY-UHFFFAOYSA-N
-rxn:4:218710:228198,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ULWOHEFPFNWXRG-UHFFFAOYSA-N
-rxn:4:218710:228200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4C4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BRXIGFCADJWCHQ-UHFFFAOYSA-N
-rxn:4:218710:228206,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(N(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BGAAALNSKYVOTP-UHFFFAOYSA-N
-rxn:4:218710:228210,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RFPQPMNRHKAYIF-UHFFFAOYSA-N
-rxn:4:218710:228228,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cnc(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TTYSDFWAQHOXJT-UHFFFAOYSA-N
-rxn:4:218710:228239,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LJWGBLBXEUVRSU-UHFFFAOYSA-N
-rxn:4:218710:228244,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)c(OC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFTDHGUNYXOXIX-UHFFFAOYSA-N
-rxn:4:218710:228251,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QXLRYJTXZZNVLL-UHFFFAOYSA-N
-rxn:4:218710:228255,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(F)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZZXSXYGQYXYMGG-UHFFFAOYSA-N
-rxn:4:218710:228261,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(SC)ccc(F)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AUKLLHQGKHMERY-UHFFFAOYSA-N
-rxn:4:218710:228268,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(F)c4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QMJYTJYIYCNOPZ-UHFFFAOYSA-N
-rxn:4:218710:228271,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(OC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTNRFFOVYGTKDE-UHFFFAOYSA-N
-rxn:4:218710:228273,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(Cl)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XWBQLYSXRXNCMI-UHFFFAOYSA-N
-rxn:4:218710:228275,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(F)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JHSAISTVXHICCZ-UHFFFAOYSA-N
-rxn:4:218710:228284,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5nn(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFRUQZRXMDZGNH-UHFFFAOYSA-N
-rxn:4:218710:228287,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn5c(C)nnc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IBUVIZNXGOIDGB-UHFFFAOYSA-N
-rxn:4:218710:228293,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CCN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WGKKJOLICDIOAY-UHFFFAOYSA-N
-rxn:4:218710:228332,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)cc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RZWYGGRRKNZWMF-UHFFFAOYSA-N
-rxn:4:218710:228333,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(SC)ccnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PEJRCVWXGUWCMF-UHFFFAOYSA-N
-rxn:4:218710:228366,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZAXCPSRDGJFZPQ-UHFFFAOYSA-N
-rxn:4:218710:228387,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C)c(=O)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DCKDYQMXSWHSFK-UHFFFAOYSA-N
-rxn:4:218710:228428,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(F)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WSSPRWAMUSEMEL-UHFFFAOYSA-N
-rxn:4:218710:228455,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HUAPHHLFTIDJKK-UHFFFAOYSA-N
-rxn:4:218710:228458,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(SC)nc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IMOMAPOVOQWJOO-UHFFFAOYSA-N
-rxn:4:218710:228459,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)nc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXKTZJGTBDQMCP-UHFFFAOYSA-N
-rxn:4:218710:228460,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)ncnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YYCLGSGVAMKLBA-UHFFFAOYSA-N
-rxn:4:218710:228480,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSHIIUIKELPTGO-UHFFFAOYSA-N
-rxn:4:218710:228498,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C)nc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOPROPLOURCXON-UHFFFAOYSA-N
-rxn:4:218710:228500,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VHFQQWRWFJDPRJ-UHFFFAOYSA-N
-rxn:4:218710:228501,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C)c4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RQQJWBHCDFIODX-UHFFFAOYSA-N
-rxn:4:218710:228507,CCCc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,LPAZZRUBMHVUTA-UHFFFAOYSA-N
-rxn:4:218710:228508,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WHKYZIHNRKISIL-UHFFFAOYSA-N
-rxn:4:218710:228515,CCc1cccc(C)c1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,RJPXYHWUTDEEKU-UHFFFAOYSA-N
-rxn:4:218710:228520,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CTQIOZZUDMXKEU-UHFFFAOYSA-N
-rxn:4:218710:228521,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ABNLNNRVFATTDT-UHFFFAOYSA-N
-rxn:4:218710:228554,CCOc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,XLJAEFSKISORTP-UHFFFAOYSA-N
-rxn:4:218710:228558,CCSc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,QAVUKBVHLUZICE-UHFFFAOYSA-N
-rxn:4:218710:228565,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CSC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CUGJVFFIQIPNBS-UHFFFAOYSA-N
-rxn:4:218710:228566,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccsc4CC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VQIYVLGPDDJZMX-UHFFFAOYSA-N
-rxn:4:218710:228596,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)n1,UDJCHWOMFCXMPO-UHFFFAOYSA-N
-rxn:4:218710:228609,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SLVIVWLRFTVWBV-UHFFFAOYSA-N
-rxn:4:218710:228620,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XFLQQILYEWAVJL-UHFFFAOYSA-N
-rxn:4:218710:228621,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)cc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LOINROHYJRCSKR-UHFFFAOYSA-N
-rxn:4:218710:228632,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RSWSWMJWSSTRIA-UHFFFAOYSA-N
-rxn:4:218710:228635,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YMDZVOVAPHBJQS-UHFFFAOYSA-N
-rxn:4:218710:228685,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(COC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KLZUHYIVKQMRCR-UHFFFAOYSA-N
-rxn:4:218710:228688,CCOc1cnccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,FLROVYYFGLXMMO-UHFFFAOYSA-N
-rxn:4:218710:228689,CCOc1ccncc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,MLXGEEWVSQPRDF-UHFFFAOYSA-N
-rxn:4:218710:228694,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N(C)CC)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KIPBRQLVLZMJGA-UHFFFAOYSA-N
-rxn:4:218710:228695,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(CN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZWSUUXDXCOCZII-UHFFFAOYSA-N
-rxn:4:218710:228700,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TUYXUFXPRSCHEX-UHFFFAOYSA-N
-rxn:4:218710:228707,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HRLIEVCYIGOTSI-UHFFFAOYSA-N
-rxn:4:218710:228715,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKWCZFKEAFIIPD-UHFFFAOYSA-N
-rxn:4:218710:228727,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GMFQTSGJYYQDMC-UHFFFAOYSA-N
-rxn:4:218710:228754,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(SC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DPIWQLPVQPVSRP-UHFFFAOYSA-N
-rxn:4:218710:228756,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HKAYZUJHIZULLN-UHFFFAOYSA-N
-rxn:4:218710:228757,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ncc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RYODWPCRMNGJCJ-UHFFFAOYSA-N
-rxn:4:218710:228758,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MORZQNLKHVYWQC-UHFFFAOYSA-N
-rxn:4:218710:228760,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)(C)C)o4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UKABGWBJHFFHHU-UHFFFAOYSA-N
-rxn:4:218710:228761,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DDEQRMDHLFNCHK-UHFFFAOYSA-N
-rxn:4:218710:228762,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(=O)n(CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PNEJWSMWXRWNFY-UHFFFAOYSA-N
-rxn:4:218710:228763,CCc1c(F)cncc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,BHSPEVQXEHZBRU-UHFFFAOYSA-N
-rxn:4:218710:228788,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZMKYPSNQFGOLFE-UHFFFAOYSA-N
-rxn:4:218710:228803,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc([Si](C)(C)C)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UXDVAFQCEPHQOF-UHFFFAOYSA-N
-rxn:4:218710:228867,CCc1nc(OC)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)s1,GFDROCPBBMBPRS-UHFFFAOYSA-N
-rxn:4:218710:228881,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)=O)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PUJATUDGHQPOAG-UHFFFAOYSA-N
-rxn:4:218710:228883,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)cnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QZIAMDGECWWHDQ-UHFFFAOYSA-N
-rxn:4:218710:228887,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)ncc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VRRSYWPUVTYFLX-UHFFFAOYSA-N
-rxn:4:218710:228898,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CHTOSWRMJAVTNN-UHFFFAOYSA-N
-rxn:4:218710:228899,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GFRSOOOQOWEBFP-UHFFFAOYSA-N
-rxn:4:218710:228901,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LAGZWIUMWREPAF-UHFFFAOYSA-N
-rxn:4:218710:228905,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FYEUDTAQCLJKMF-UHFFFAOYSA-N
-rxn:4:218710:228913,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(OC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GGDGPNKRKUHFOG-UHFFFAOYSA-N
-rxn:4:218710:228914,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(F)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WASVQLKOJNPKSO-UHFFFAOYSA-N
-rxn:4:218710:228916,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ncc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HPKNLTORXSARSI-UHFFFAOYSA-N
-rxn:4:218710:228929,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKLRCUITXXPVFU-UHFFFAOYSA-N
-rxn:4:218710:228933,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UAYMEDZCVVDJDZ-UHFFFAOYSA-N
-rxn:4:218710:228934,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FORFEMGAEAUGTG-UHFFFAOYSA-N
-rxn:4:218710:228965,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc([N+](=O)[O-])nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CLJIRQKWBMSZNB-UHFFFAOYSA-N
-rxn:4:218710:228967,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C)nc4C(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FZIXNYVLTPMIFA-UHFFFAOYSA-N
-rxn:4:218710:228968,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(SC)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PTGLGHNVOKWTSZ-UHFFFAOYSA-N
-rxn:4:218710:228991,CCCc1sccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,WECJIMLTJKLNIG-UHFFFAOYSA-N
-rxn:4:218710:228992,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JXGHMWMELHCYCT-UHFFFAOYSA-N
-rxn:4:218710:228994,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SNULDXWPRRQRCP-UHFFFAOYSA-N
-rxn:4:218710:228995,CCc1cncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,NRPXISJOQINOQU-UHFFFAOYSA-N
-rxn:4:218710:229001,CCc1cnccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,IMUPBMYKOCUULZ-UHFFFAOYSA-N
-rxn:4:218710:229016,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccsc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXVWQTBSAZNJPN-UHFFFAOYSA-N
-rxn:4:218710:229019,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUBWDYKGTMZTIB-UHFFFAOYSA-N
-rxn:4:218710:229020,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXHUJMODXSCYBO-UHFFFAOYSA-N
-rxn:4:218710:229021,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FJCIHMVCPOEYNR-UHFFFAOYSA-N
-rxn:4:218710:229023,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KLJPJMJINJIVCH-UHFFFAOYSA-N
-rxn:4:218710:229057,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PDKUWUNRJBXJHM-UHFFFAOYSA-N
-rxn:4:218710:229063,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BPHYRHGLFMNBQX-UHFFFAOYSA-N
-rxn:4:218710:229077,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUXMHKYRTBZFID-UHFFFAOYSA-N
-rxn:4:218710:229081,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DHMOMGFPQYFLRY-UHFFFAOYSA-N
-rxn:4:218710:229086,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)=O)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CVKJXPMNVBXARZ-UHFFFAOYSA-N
-rxn:4:218710:229088,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)=O)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NEVBSNXKMINZDU-UHFFFAOYSA-N
-rxn:4:218710:229091,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccoc4C(C)=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AXBXUBAJXRLZFK-UHFFFAOYSA-N
-rxn:4:218710:229095,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OOFYCPXPAVDOSR-UHFFFAOYSA-N
-rxn:4:218710:229104,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KBUCPXGBTBBAIX-UHFFFAOYSA-N
-rxn:4:218710:229105,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NNHHOFLCZZBQRP-UHFFFAOYSA-N
-rxn:4:218710:229106,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RGMSMCLVWUELBB-UHFFFAOYSA-N
-rxn:4:218710:229109,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WRFRYIOGPAIOMX-UHFFFAOYSA-N
-rxn:4:218710:229113,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ncc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OKKDPZICUBQBJX-UHFFFAOYSA-N
-rxn:4:218710:229117,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(Cl)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HYWLYQBUBHJRJS-UHFFFAOYSA-N
-rxn:4:218710:229118,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KUJPSDXGTVXBCB-UHFFFAOYSA-N
-rxn:4:218710:229119,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WUTQRHGTUUEYIT-UHFFFAOYSA-N
-rxn:4:218710:229120,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccn(C)c4=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCHWBZQKWIGSOA-UHFFFAOYSA-N
-rxn:4:218710:229124,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PAGLMULGZONHHT-UHFFFAOYSA-N
-rxn:4:218710:229126,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZXEPIORFRAKLDG-UHFFFAOYSA-N
-rxn:4:218710:229129,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WANJXLGEPJBARX-UHFFFAOYSA-N
-rxn:4:218710:229155,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C5CC5)nn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XGHPUNAJMUPWGL-UHFFFAOYSA-N
-rxn:4:218710:229159,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GYJPJUIYXJNPST-UHFFFAOYSA-N
-rxn:4:218710:229160,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(SC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CKSQOJIZIPBLEH-UHFFFAOYSA-N
-rxn:4:218710:229200,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZJZXANQYUGXXFT-UHFFFAOYSA-N
-rxn:4:218710:229202,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)s1,QSBUDNKHBNXLLA-UHFFFAOYSA-N
-rxn:4:218710:229219,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCKOSDQZHLZYDL-UHFFFAOYSA-N
-rxn:4:218710:229225,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGZMHJRONGBIEL-UHFFFAOYSA-N
-rxn:4:218710:229227,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XQNTVGWBMAHSLU-UHFFFAOYSA-N
-rxn:4:218710:229233,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NDZDYCAXUWDNJH-UHFFFAOYSA-N
-rxn:4:218710:229234,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVGIUPMQLNVMOY-UHFFFAOYSA-N
-rxn:4:218710:229237,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(SC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSUHNXQIQVXXOF-UHFFFAOYSA-N
-rxn:4:218710:229239,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4sccc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RZGSVQCSUNVULP-UHFFFAOYSA-N
-rxn:4:218710:229242,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncnc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KTPUDFSXWAFSGE-UHFFFAOYSA-N
-rxn:4:218710:229247,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4nn(C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DHEILCPPKRVQRU-UHFFFAOYSA-N
-rxn:4:218710:229251,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ncn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KCOUFRVGUKBEBS-UHFFFAOYSA-N
-rxn:4:218710:229257,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JMCPSDCFVYMVKU-UHFFFAOYSA-N
-rxn:4:218710:229258,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XIUHNJCQECTIME-UHFFFAOYSA-N
-rxn:4:218710:229261,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSJVKBKFQMVFMA-UHFFFAOYSA-N
-rxn:4:218710:229264,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SZLRQUCVJPTVRC-UHFFFAOYSA-N
-rxn:4:218710:229288,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MFIPTLBUMXWTPY-UHFFFAOYSA-N
-rxn:4:218710:229308,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)no4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IFXWUHKZLQZWDQ-UHFFFAOYSA-N
-rxn:4:218710:229322,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4sccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WNHHUHQJCSGKBW-UHFFFAOYSA-N
-rxn:4:218768:223508,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,AJEXJONHLWDHFU-UHFFFAOYSA-N
-rxn:4:218788:222615,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,RTGPRLFERMAZBH-UHFFFAOYSA-N
-rxn:4:218867:224991,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)no1,KNKFTHBDXSBNEV-UHFFFAOYSA-N
-rxn:4:218867:226654,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3csc(N4CCC(C)CC4)n3)c2)no1,YLGKUIMEDWNUTA-UHFFFAOYSA-N
-rxn:4:218868:225801,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCC4)c3Cl)cc2)no1,CBOKPUDJNIIEMG-UHFFFAOYSA-N
-rxn:4:218875:222651,CN1CCN(c2oc(COc3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)nc2C#N)CC1,WSTXYRWTMCSVLA-UHFFFAOYSA-N
-rxn:4:218886:222546,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,YPDQEYSFCBFEQI-UHFFFAOYSA-N
-rxn:4:218886:224818,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,AHZVHKRHKQLKBW-UHFFFAOYSA-N
-rxn:4:218887:223945,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,OEYBIRFCGPLEBX-UHFFFAOYSA-N
-rxn:4:218893:224120,Cc1cc(-c2cnc(N3CCCC(COc4ccncc4)C3)c(C#N)c2)ccc1CO[Si](C)(C)C(C)(C)C,OJBFLNNIRPVHSL-UHFFFAOYSA-N
-rxn:4:218903:223167,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCNCC4)c3)cc2C#N)CC1,HMITYIZETHGCMZ-UHFFFAOYSA-N
-rxn:4:218914:223595,Cc1nc(CN2CCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)cs1,PMPSXJWDNRARBL-UHFFFAOYSA-N
-rxn:4:218919:222614,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)C2)cn1,ARJSJICKPWFWDZ-UHFFFAOYSA-N
-rxn:4:218944:223085,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCC(O)C4)c3)cc2[N+](=O)[O-])CC1,SVQMJJGYVJQPNT-UHFFFAOYSA-N
-rxn:4:218944:228794,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc([Si](C)(C)C)s3)cc2[N+](=O)[O-])CC1,BZSWKTIEVZBMQW-UHFFFAOYSA-N
-rxn:4:218965:224400,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,KFUBJZDLIHHXMZ-UHFFFAOYSA-N
-rxn:4:218971:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c2)CC1,GDHWLJYBQABXBR-UHFFFAOYSA-N
-rxn:4:218976:225367,O=C1C(N2CCC(Oc3ncc(-c4cnc(N5CCC(F)(F)CC5)nc4)cn3)CC2)CCN1CC(F)(F)F,YNPCWYQORFCAIO-UHFFFAOYSA-N
-rxn:4:218993:224162,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)s1,ZCLOIWGLUAFGFH-UHFFFAOYSA-N
-rxn:4:218995:224337,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)o3)CC2)n1,SAGBZAMGJVFZAA-UHFFFAOYSA-N
-rxn:4:218998:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)N3CCOCC3)C2)nc1,RFGGSXGMSDEESZ-UHFFFAOYSA-N
-rxn:4:219001:224063,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)C2)C(=O)C1=O,YUYOTOYMRFKADD-UHFFFAOYSA-N
-rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
-rxn:4:219013:227310,CCC(C)c1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1Cl,BDBLMAOZKMGHII-UHFFFAOYSA-N
-rxn:4:219045:225349,CCCOc1c(F)c(F)c(-c2ccccc2C(=O)N2CCN(CCn3nc(C)cc3C)CC2)c(F)c1F,SXWJJOHWKPKRSH-UHFFFAOYSA-N
-rxn:4:219046:226336,N#Cc1cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c(Cl)cc1C1CC1,OUTQKQSLUFMNFJ-UHFFFAOYSA-N
-rxn:4:219048:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c1,VBMYKEDAWXREHX-UHFFFAOYSA-N
-rxn:4:219061:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)cc2F)CC1,BPRAIQUQHWLBPO-UHFFFAOYSA-N
-rxn:4:219061:228974,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,NOISABFXFDIQHE-UHFFFAOYSA-N
-rxn:4:219064:224349,COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)CC3)[nH]n2)cc1,JAXUFLMCMVDRGU-UHFFFAOYSA-N
-rxn:4:219074:222656,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C(=O)NC6CCCCC6)c(F)c5)cc4)n[nH]3)CC2)c1,XVNWYYYPMQNBHS-UHFFFAOYSA-N
-rxn:4:219120:226330,CC(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)s1)N1CCCC1,KHBDFLHSAYSVSM-UHFFFAOYSA-N
-rxn:4:219182:225905,COc1ccc(-c2ccc(C(=O)N(C)OC)cc2Cl)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,VHFLCASSOIFRRF-UHFFFAOYSA-N
-rxn:4:219184:222937,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc2)OC3)CC1,VIVFSHYRXZKMNN-UHFFFAOYSA-N
-rxn:4:219243:224617,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(OCCN4CCCC4)c(Cl)c3)n2)C1,UVKXBPZGYUZZCY-UHFFFAOYSA-N
-rxn:4:219274:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnn(CC4CN(c5cc(C(F)(F)F)ccn5)C4)c3)cc2)CC1,AULHWPQHQHQVCY-UHFFFAOYSA-N
-rxn:4:219340:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)cc2)CC1,ORMKNDHGXGQFKZ-UHFFFAOYSA-N
-rxn:4:219388:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c(Cl)c2)CC1,TWRMHTMKQKFYIS-UHFFFAOYSA-N
-rxn:4:219402:223945,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GSBJVYCQEZLDAG-UHFFFAOYSA-N
-rxn:4:219403:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,VFZXHXOCBYYVDP-UHFFFAOYSA-N
-rxn:4:219431:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)CC1,DVZJSBKBDWOGDE-UHFFFAOYSA-N
-rxn:4:219432:224325,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)C2)cn1C,BGUUEHWSVQPXBO-UHFFFAOYSA-N
-rxn:4:219471:222599,CSc1ncc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,NJTACRPUGMRNKO-UHFFFAOYSA-N
-rxn:4:219471:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1,BEGFYLABLABIGG-UHFFFAOYSA-N
-rxn:4:219473:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1C,SKMBCLJKPNYHHV-UHFFFAOYSA-N
-rxn:4:219500:225324,CC(C)CCn1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c(C(F)(F)F)n1,XZWHMZKVTALTMT-UHFFFAOYSA-N
-rxn:4:219501:228361,CSc1ncc(-c2cc(N(C)C)ncc2F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,VNNNWOFHZAEHTJ-UHFFFAOYSA-N
-rxn:4:219506:226426,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)s2)CC1,CORXNDSOIAXTRR-UHFFFAOYSA-N
-rxn:4:219547:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(C(=O)N3CCN(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)c2)CC1,WTYAOPCGDPQHHQ-UHFFFAOYSA-N
-rxn:4:219639:224688,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(CN5CCC(=O)CC5)c(Cl)c4)cn3n2)C1,XVPSUZAGHUKZPX-UHFFFAOYSA-N
-rxn:4:219654:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,DMGYPRCWGWIABD-UHFFFAOYSA-N
-rxn:4:219666:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)c3)c2)C1,ZSCVULBZYGGWFK-UHFFFAOYSA-N
-rxn:4:219672:224961,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,BULZSNQHCBPBKB-UHFFFAOYSA-N
-rxn:4:219692:226773,COC(=O)c1c(Cl)ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)c1F,BRWSXJAMLWCCJX-UHFFFAOYSA-N
-rxn:4:219698:223828,CCN1CCN(c2cc(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(OC)cc4)cc3)cc(C(F)(F)F)c2)CC1,LCYOEUVLGCBHAE-UHFFFAOYSA-N
-rxn:4:219704:224398,Cc1cc(F)c(-c2ccc3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cc1S(=O)(=O)N1CCCC1,WUCLBAHPQHKWJV-UHFFFAOYSA-N
-rxn:4:219707:222915,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(C(=O)NC5=NCCS5)cc4)c(Cl)cc23)CC1,YZZGBRPUBCLHIK-UHFFFAOYSA-N
-rxn:4:219707:226371,Cc1cc(N2CCCC2)ncc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,MEFLRDKDZLWOFP-UHFFFAOYSA-N
-rxn:4:219743:224668,CCN1CCN(c2cc(F)cc(-c3nc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C(C)C)s3)c2)CC1,FPFPYZOLSKFWHH-UHFFFAOYSA-N
-rxn:4:219867:223523,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)cc2[N+](=O)[O-])CC1,UIBYYGBWKBYVHK-UHFFFAOYSA-N
-rxn:4:219867:223602,CCN1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,LKJIUAQSSNZLQL-UHFFFAOYSA-N
-rxn:4:219880:222778,CSc1ncc(-c2cncc(CNC(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,RYSQPCCAUQWVKD-UHFFFAOYSA-N
-rxn:4:219880:223054,CSc1ncc(-c2ccc(C(C)N3CCC(O)C3)s2)c(N2CCN(S(C)(=O)=O)CC2)n1,PKYJDBOQOVGVJT-UHFFFAOYSA-N
-rxn:4:220124:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)c(C(=O)N2C3CCC2CC(n2ccnn2)C3)c1,LOFGRALWZBTLIG-UHFFFAOYSA-N
-rxn:4:220136:223997,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,MQMPFWLWIAXVQE-UHFFFAOYSA-N
-rxn:4:220150:225318,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4c(F)cc(N5CCOCC5)cc4F)ccc23)C1)N1CCSCC1,TZZWJLZTUASUQU-UHFFFAOYSA-N
-rxn:4:220158:224009,COc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCOCC1,KLPXBUIROHGRDF-UHFFFAOYSA-N
-rxn:4:220200:223841,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)c4)c2=O)CCCC3)no1,CQIKTDQSHVJUMZ-UHFFFAOYSA-N
-rxn:4:220209:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,LQXAICNLXIOZTB-UHFFFAOYSA-N
-rxn:4:220407:223960,CCN1CCN(C(=O)c2cc(-c3cn(C)nc3CN3CCN(C)CC3)ccc2F)CC1,RGGBOPNBVXECLG-UHFFFAOYSA-N
-rxn:4:220540:224966,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCC6CCOCC6)cc5)cc4)C3C2=O)c1,WIIQUXJPOGBMIM-UHFFFAOYSA-N
-rxn:4:220818:222466,CN1CCCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,JFASSTZOSQLTMW-UHFFFAOYSA-N
-rxn:4:221103:223902,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cn3)C2)cn1,MPCAOILYIBXFTO-UHFFFAOYSA-N
-rxn:4:221175:227322,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(C(C)C)c4OC)cn3)C2)C(=O)C1=O,VSWSFSYZYQQUTR-UHFFFAOYSA-N
-rxn:4:221175:228177,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)ccc4COC)cn3)C2)C(=O)C1=O,SYGFXKZOGGUNDG-UHFFFAOYSA-N
-rxn:4:221175:228181,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)cc4COC)cn3)C2)C(=O)C1=O,GQUOIDRVPZVWPM-UHFFFAOYSA-N
-rxn:4:221175:228901,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(Cl)cc4OC)cn3)C2)C(=O)C1=O,TXDQZHXPRRRUAW-UHFFFAOYSA-N
-rxn:4:221175:228932,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)nc(OC)c4)cn3)C2)C(=O)C1=O,WZBLMFDOUPSKOL-UHFFFAOYSA-N
-rxn:4:221179:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,PBJQKXZZOBVFKT-UHFFFAOYSA-N
-rxn:4:221193:227710,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OS(C)(=O)=O)cc4)cn3)C2)CC1,BJBKABLVNDKZEN-UHFFFAOYSA-N
-rxn:4:221194:225805,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCOCC5)s4)cn3)CC2)cn1C,WSGWPKGXXLGOBS-UHFFFAOYSA-N
-rxn:4:221199:222717,Cc1cc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)n3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,YSKPFFCRFAFLPQ-UHFFFAOYSA-N
-rxn:4:221202:223239,O=C(c1ccccc1-c1cncc(C2CCCN2)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,IFNNNWFPHQLVDN-UHFFFAOYSA-N
-rxn:4:221205:223162,CNC(=O)c1ccc(OC)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,MXVQNFWMXSCZHB-UHFFFAOYSA-N
-rxn:4:221221:223892,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nccn6n5)CC4)c3)cc2)CC1,VCFIHPGLQVVPPM-UHFFFAOYSA-N
-rxn:4:221230:224406,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,UFHHQPUIDRGKQT-UHFFFAOYSA-N
-rxn:4:221245:222584,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)CC3)nn2c1C,NKNNZOWCNUPFPB-UHFFFAOYSA-N
-rxn:4:221252:224607,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)cc1,ITELETQJYSHSAR-UHFFFAOYSA-N
-rxn:4:221311:223671,Cc1cnn(CC2CN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3C#N)C2)c1,WLJOAGGDDITAJF-UHFFFAOYSA-N
-rxn:4:221345:224008,O=C(c1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCOCC1,IPLPRNSAKBDTGL-UHFFFAOYSA-N
-rxn:4:221347:224008,O=C(c1cc(-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCOCC1,MEEGFTORBQZXPE-UHFFFAOYSA-N
-rxn:4:221372:222811,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)o3)CC2)c1,MMDVGJLMKDDEDX-UHFFFAOYSA-N
-rxn:4:221394:223844,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1,ZJKKPEUMIDXGTB-UHFFFAOYSA-N
-rxn:4:221398:224036,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)cn3)CC2)CC1,DOSXXSZXVDQFIR-UHFFFAOYSA-N
-rxn:4:221408:222466,CN(C)c1ccnc(N2CCN(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,ZKDRGFZOKWLFII-UHFFFAOYSA-N
-rxn:4:221426:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,BWSALSMKUPQLSP-UHFFFAOYSA-N
-rxn:4:221438:224388,Cc1nccn1-c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5C)nn4)CC3)o2)c(C(F)(F)F)c1,DAUPPRXOUVWWNS-UHFFFAOYSA-N
-rxn:4:221445:222837,Cc1cc(N2CCN(Cc3cccc(-c4cccc(CC(=O)NC(C)(C)C)c4)c3)CC2)nc(N2CCOCC2)n1,QHEVNAZQVKDHIS-UHFFFAOYSA-N
-rxn:4:221449:222490,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(NC(=O)OCc5ccccc5)c4)cc3)CC2)n1,NKNMXVFHAFXETH-UHFFFAOYSA-N
-rxn:4:221449:222689,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(Cl)cn5)cc4)cc3)CC2)n1,YLWQSBYSHKWOAR-UHFFFAOYSA-N
-rxn:4:221449:222770,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)cc3)CC2)n1,JVXCGZWRKFFADP-UHFFFAOYSA-N
-rxn:4:221478:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)c2)CC1,AHMBBIXQPGPLHX-UHFFFAOYSA-N
-rxn:4:221480:223480,Cc1cc(C)n2c(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(CSc3nc4cc([N+](=O)[O-])ccc4s3)nc2n1,YDDSXNULULSQLN-UHFFFAOYSA-N
-rxn:4:221504:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCC(COc6cnccn6)CC5)c4c3)c(F)cc2C)CC1,WTHSHNHNBAUCEH-UHFFFAOYSA-N
-rxn:4:221520:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)cc1,QHXBHNZYFKZATF-UHFFFAOYSA-N
-rxn:4:221521:224247,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(C(=O)N6CCC(C)CC6)cc5F)cn4)C3)n1)CCC2,KEKABQVJWUDQEW-UHFFFAOYSA-N
-rxn:4:221569:222702,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,RISGITDSZFAMQN-UHFFFAOYSA-N
-rxn:4:221613:224126,CCN1CCN(C(C)c2cccc(-c3cncc(C(=O)N4CCN(c5ncc(F)cn5)C(=O)C4)c3)c2)CC1,DTXLPDQVASAFRG-UHFFFAOYSA-N
-rxn:4:221613:224127,CCN1CCN(C(C)c2ccc(-c3cncc(C(=O)N4CCN(c5ncc(F)cn5)C(=O)C4)c3)cc2)CC1,OWICUIHHZIDDJV-UHFFFAOYSA-N
-rxn:4:221618:223768,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)nc2)c2ccc(C#N)cc21,DMLBBPBRVRWHEQ-UHFFFAOYSA-N
-rxn:4:221779:225231,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC5(CC3)OCCO5)c3ccccc34)cc2)cnc1Cl,BAKZWACOROWYCC-UHFFFAOYSA-N
-rxn:4:221832:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,SKBMMWQYAJCMFO-IBGZPJMESA-N
-rxn:4:221836:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,AZNVPJDPFOAIAV-UHFFFAOYSA-N
-rxn:4:221927:224373,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,KHCXUMNOFUOYBQ-UHFFFAOYSA-N
-rxn:4:221938:223945,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)nn1,YLAAINRCSNCTKY-UHFFFAOYSA-N
-rxn:4:221939:222723,Cn1ncnc1CN1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PUXCNOXMJPLMOI-UHFFFAOYSA-N
-rxn:4:221949:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)c2)CC1,VAXUYZFWDKUIEC-UHFFFAOYSA-N
-rxn:4:221965:223142,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCCNC6)nc5)cc4)CC3)nn2)CC1,CLAZNQZYGZEDNO-UHFFFAOYSA-N
-rxn:4:221966:223593,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,IKGPBZFOTGMRAE-UHFFFAOYSA-N
-rxn:4:221971:222836,CC(C)(C)CC(=O)Nc1ccc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc1,JKTPBSCCJOJLHA-UHFFFAOYSA-N
-rxn:4:221980:222889,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(CN6CCNCC6)c5)c4)sc3n2)CC1,UQHCCOIPOCLINP-UHFFFAOYSA-N
-rxn:4:221980:225869,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,UVJBJFCPBWNWRX-UHFFFAOYSA-N
-rxn:4:221982:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,QRSGAQNJLYYIIU-UHFFFAOYSA-N
-rxn:4:222012:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4C(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)c3C(=O)C1C2(C)C,VZNPYOJXRBEBBC-UHFFFAOYSA-N
-rxn:4:222052:223812,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccn4)CC3)c2C)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,QBNCIZOCHWHMNC-UHFFFAOYSA-N
-rxn:4:222062:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,FUDMVXOKNDLPRX-UHFFFAOYSA-N
-rxn:4:222096:222607,Cn1c(N2CCC(COc3ncc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)nc2cccnc21,BNASQCQRKGEESA-UHFFFAOYSA-N
-rxn:4:222106:223570,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)no4)C3C2=O)cc1F,SIUHPQNGBGPBII-UHFFFAOYSA-N
-rxn:4:222150:223541,COc1ccnc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cn3)CC2)n1,WOAKAGKWUVRXFH-UHFFFAOYSA-N
-rxn:4:222188:223753,CCc1ncnc(N2CC3CN(c4ncc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cn4)CC3C2)c1F,JLDAKNSTARHNIU-UHFFFAOYSA-N
-rxn:4:222193:222866,Cn1nc2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,FESJQKIRRBFAPB-UHFFFAOYSA-N
-rxn:4:222218:222389,Cc1ncnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,PPUMWTYMZXJPOT-UHFFFAOYSA-N
-rxn:4:222273:222810,CN(C(=O)c1cncc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1,DSDCJHVZERPHTG-UHFFFAOYSA-N
-rxn:4:222329:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)ccc21,YZEABXLVSUFKDM-UHFFFAOYSA-N
-rxn:4:222331:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)ccc2F)CC1,XRCMHOWLYJPKLP-UHFFFAOYSA-N
-rxn:4:222331:224128,CN(C(=O)c1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1)C1CCCCC1,KQAFKMNBLCJZJY-UHFFFAOYSA-N
-rxn:4:222334:224458,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(C(C)N5CCC(C)CC5)cc4)cn3)CC2)n1,HGOPCOGLOCZPJL-UHFFFAOYSA-N
-rxn:4:222334:225257,CCOC(=O)COc1cc(F)cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)c1,UDDIDJHHJHCLJY-UHFFFAOYSA-N
-rxn:4:222338:225988,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4c(F)cc(C5OCCO5)cc4F)cn3)CC2)n1,WZYYUFMJCDIIDS-UHFFFAOYSA-N
-rxn:4:222366:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)nc3)cc2F)CC1,ZGMMLXULIAESJZ-UHFFFAOYSA-N
-rxn:4:222389:174451,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)Oc1cc(C)cc(C)c1,IJRNQEGMBAHSDO-UHFFFAOYSA-N
-rxn:4:222389:185530,COC(=O)CC1COc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,FDIJEOZKINOIBJ-UHFFFAOYSA-N
-rxn:4:222391:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RNEJMTNOBVKKME-UHFFFAOYSA-N
-rxn:4:222401:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5nnn[nH]5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KICXJZVAUOYWFU-UHFFFAOYSA-N
-rxn:4:222432:219867,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2[N+](=O)[O-])CC1,FXTLSCZNSINDDN-UHFFFAOYSA-N
-rxn:4:222513:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,QYQVOVBXJJUCKE-UHFFFAOYSA-N
-rxn:4:222521:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,HAJXXYQPWIKRNI-UHFFFAOYSA-N
-rxn:4:222522:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,PABGNJQCGPHAQG-UHFFFAOYSA-N
-rxn:4:222540:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,IWJHJPREKSSAGJ-UHFFFAOYSA-N
-rxn:4:222541:218824,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDFIYIKTXBCRIR-UHFFFAOYSA-N
-rxn:4:222542:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(OCCCN2CCNCC2)c1,FDSJQWDONONGIS-UHFFFAOYSA-N
-rxn:4:222543:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,RTLARGCZFGPUGR-UHFFFAOYSA-N
-rxn:4:222570:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWYYZXCGLJILCY-UHFFFAOYSA-N
-rxn:4:222572:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AABUDNLNUQGJCM-UHFFFAOYSA-N
-rxn:4:222573:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(C(=O)NCC2CCCCC2)c1,HBZRHSFVRNEDBN-UHFFFAOYSA-N
-rxn:4:222580:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BWYBZKMGRHGZDY-UHFFFAOYSA-N
-rxn:4:222581:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC(C)C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZYCZRMLJMFILBR-UHFFFAOYSA-N
-rxn:4:222602:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,HKIGEGAPBXDZTD-UHFFFAOYSA-N
-rxn:4:222623:214012,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,KQANWXLFROIKJI-UHFFFAOYSA-N
-rxn:4:222650:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cc(C)ccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FPPRGMBBKSGCMY-UHFFFAOYSA-N
-rxn:4:222671:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MPHVPQJTHJEEHY-UHFFFAOYSA-N
-rxn:4:222723:189929,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1,IKTGBIKZBMVRDJ-UHFFFAOYSA-N
-rxn:4:222741:219000,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,JKJVXYJZHYCPIR-UHFFFAOYSA-N
-rxn:4:222770:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HPGLFEBAJZOONI-UHFFFAOYSA-N
-rxn:4:222790:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(NC(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LQPPPKRDSYSLMF-UHFFFAOYSA-N
-rxn:4:222801:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(S(=O)(=O)NC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VZRMTMSAZLOTME-UHFFFAOYSA-N
-rxn:4:222840:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNc5ccccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RNWNNPZTEOFGTF-UHFFFAOYSA-N
-rxn:4:222870:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NCC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KEOUTRNPEOAIEL-UHFFFAOYSA-N
-rxn:4:222871:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOXYLKOPYMDVJX-UHFFFAOYSA-N
-rxn:4:222881:174522,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,HZEHRGIBVYMYHG-UHFFFAOYSA-N
-rxn:4:222881:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PNGPHCBXHLSCOY-UHFFFAOYSA-N
-rxn:4:222900:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(CNC(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CGDQDNZLWUMUIW-UHFFFAOYSA-N
-rxn:4:222902:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCC(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XJLQWDQGUOTUDT-UHFFFAOYSA-N
-rxn:4:222912:174436,CC(C)CNS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1,OIOOYCGDKMOTCL-UHFFFAOYSA-N
-rxn:4:222931:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(Cl)c(N3CCCCC3O)c2)cc1,FHCMYGSWHKJNHL-UHFFFAOYSA-N
-rxn:4:222941:199893,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)cc1C,WNPRNZBSQDTHQI-UHFFFAOYSA-N
-rxn:4:222942:187597,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,XEUUTKNIZKDBPT-UHFFFAOYSA-N
-rxn:4:222990:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GKDIXWIEPAYSNU-UHFFFAOYSA-N
-rxn:4:222992:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BDYHYZSVDUWVTF-UHFFFAOYSA-N
-rxn:4:223020:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCC#N)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKNXOBOPQUSSEZ-UHFFFAOYSA-N
-rxn:4:223080:214321,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1,QGISQJJCAMHEKY-UHFFFAOYSA-N
-rxn:4:223081:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5nnc(NC)s5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VQKOMQCSCRPUKI-UHFFFAOYSA-N
-rxn:4:223100:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(S(=O)(=O)NC)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUTNCRJMBXVUSH-UHFFFAOYSA-N
-rxn:4:223101:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ICDIYNMVYKCLED-UHFFFAOYSA-N
-rxn:4:223102:178588,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)CCC(O[Si](C)(C)C(C)(C)C)C2,BECSHWPMHKNNHP-UHFFFAOYSA-N
-rxn:4:223102:199499,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c1,OYDDOZOAWXTYNI-UHFFFAOYSA-N
-rxn:4:223490:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKVGOQVWENEYPD-UHFFFAOYSA-N
-rxn:4:223501:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,MDBOKADNOIHXNL-UHFFFAOYSA-N
-rxn:4:223520:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,GZFWTDYWRVJVGX-UHFFFAOYSA-N
-rxn:4:223530:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KSQAYJZFKNNUNZ-UHFFFAOYSA-N
-rxn:4:223581:178179,COC(=O)c1cccc2cc(-c3cccc(C4(C(=O)OC)CCCC4)c3)n(C(=O)OC(C)(C)C)c12,YGUBUPZIEJZESV-UHFFFAOYSA-N
-rxn:4:223591:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BDRYQYPBPUYASR-UHFFFAOYSA-N
-rxn:4:223650:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IRKDTBDVJLLOOZ-UHFFFAOYSA-N
-rxn:4:223660:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,APEFIJCNSUTDNK-UHFFFAOYSA-N
-rxn:4:223761:187968,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)ccc21,UAYCLQBTCDQEPK-UHFFFAOYSA-N
-rxn:4:223771:187961,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc4cc(OC)ccc4n3C(=O)OC(C)(C)C)cc1)CC(C)(C)CC2=O,RDQAPBLPHBGRKT-UHFFFAOYSA-N
-rxn:4:223810:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,FJYHVFUCOAQOHX-UHFFFAOYSA-N
-rxn:4:223900:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c1,KGJJGRFDVWKPGQ-UHFFFAOYSA-N
-rxn:4:223940:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,XBDUIUCBDLYIRY-UHFFFAOYSA-N
-rxn:4:223980:206737,CCN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,YRZCECREPRWUBG-UHFFFAOYSA-N
-rxn:4:223980:209879,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)cc3C)c2)CC1,PJBSDHWNEKSAHK-UHFFFAOYSA-N
-rxn:4:224870:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CJCDCTAMJCGSDV-UHFFFAOYSA-N
-rxn:5:176854:226662:225980,COC(=O)c1cc(OC)c(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,JMKOAPJRZUUHEO-UHFFFAOYSA-N
-rxn:5:177181:225976:226654,CC1CCN(c2nc(-c3cc(C(=O)OC(C)C)ccc3-c3ccnc(N4CCOCC4)c3F)cs2)CC1,VSGVNHGFVWYFDL-UHFFFAOYSA-N
-rxn:5:177184:222987:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1C,RTYIMFQVTVNBHF-UHFFFAOYSA-N
-rxn:5:177184:223063:225976,CCOC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(C)c1-c1cc(F)nc(C2CCNCC2)c1,JKSDQGIVTZOJAK-UHFFFAOYSA-N
-rxn:5:177185:226583:223063,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,JIEAJWGYTNPFKZ-UHFFFAOYSA-N
-rxn:5:177185:226661:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,BIJUEJGUUJBPMO-UHFFFAOYSA-N
-rxn:5:177186:225632:223062,CCOC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cccc(N3CCN(C)CC3)c2)cc1C,FZQBSZLSDAYFHQ-UHFFFAOYSA-N
-rxn:5:177190:225639:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccnc2N2CCC(C)CC2)c1,AHYYVCQSNRGKOT-UHFFFAOYSA-N
-rxn:5:177190:225784:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(CN3CCOCC3)nc2)c1,UDFHGHQQGYCGEG-UHFFFAOYSA-N
-rxn:5:177190:225798:226330,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(-c2ccc(OC3CCOCC3)nc2)c1,ZPVNWKFECMENAI-UHFFFAOYSA-N
-rxn:5:177190:225805:227613,CCS(=O)(=O)Cc1ccc(-c2cnn(C3CCOCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,VNTPMPKVQNJSJM-UHFFFAOYSA-N
-rxn:5:177190:226583:222984,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCC(O)C3)cc2)c(-c2ccc(CN3CCOCC3)s2)c1,WTBNNWSPNNDKCZ-UHFFFAOYSA-N
-rxn:5:177190:226645:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(N3CCOCC3)c2)c1,GDJDPRHWDUGUDC-UHFFFAOYSA-N
-rxn:5:177190:227449:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCOCC3)s2)c1,QZDHNXBDSGLWNZ-UHFFFAOYSA-N
-rxn:5:177190:227657:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCOCC3)s2)c1,OTJPMGXJCFGERR-UHFFFAOYSA-N
-rxn:5:177191:223064:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)nc4F)c3)c(F)c2)CCC1,LGYNAYDZGUUCAJ-UHFFFAOYSA-N
-rxn:5:177191:225601:223000,N#CC1(c2ccc(-c3cc(-c4ccc(C5CCCNC5)c(F)c4)ccc3CC(=O)C3CC3)c(F)c2)CCC1,DOUBZPRYEPMDRL-UHFFFAOYSA-N
-rxn:5:177193:223064:225800,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(C(=O)N2CCSC2)cc1,HBMDXAFNZCKIFJ-UHFFFAOYSA-N
-rxn:5:177373:227803:225636,CC1CCN(c2cc(-c3ccc(OCC4OCCO4)c(-c4ccnn4S(=O)(=O)N(C)C)c3)ccn2)CC1,JXAYKRMKWBAHPS-UHFFFAOYSA-N
-rxn:5:177729:223054:223138,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccnc(C4CCNCC4)c3)c2)s1)N1CCC(O)C1,WOQVXVULBGAXPV-UHFFFAOYSA-N
-rxn:5:177729:223132:223054,CC(c1ccc(-c2cc(-c3cccc(N4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,FLMJGLJPGKDROI-UHFFFAOYSA-N
-rxn:5:177731:225439:223064,CC(c1cccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,WUPOGJLXJGOREO-UHFFFAOYSA-N
-rxn:5:177731:225607:223281,CC(c1ccc(-c2cc(-c3ccc(C4(O)COC4)nc3)ccc2C(=O)OC(C)(C)C)s1)N1CCCCC1,VMYOAMMURGVNNR-UHFFFAOYSA-N
-rxn:5:177731:226154:225871,COc1cc(C(C)(C)C)ccc1-c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1C(=O)OC(C)(C)C,BJPOINVTWDLZIG-UHFFFAOYSA-N
-rxn:5:177732:225438:226649,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCOCC2)cc1)N1CCCC1,PZYUFUVQBIGRLC-UHFFFAOYSA-N
-rxn:5:177733:225439:223294,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3csc(N4CCNCC4)n3)c2)c1)N1CCCC1,ZHJSROYQSIONRP-UHFFFAOYSA-N
-rxn:5:177736:226330:226643,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCOCC3)nc2)s1)N1CCCC1,WUSFGRXXKVGPND-UHFFFAOYSA-N
-rxn:5:177737:223065:225439,CC(c1cccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,VIPPKRJNUODVSU-UHFFFAOYSA-N
-rxn:5:177738:226139:225871,COc1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cc(C3CC3)cnc2C2CC2)cc1OC1CCC1,IQFNBPUGECICRJ-UHFFFAOYSA-N
-rxn:5:177739:223054:223240,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C3CCNC3)nc2)s1)N1CCC(O)C1,RYJCNWBGUVEAOL-UHFFFAOYSA-N
-rxn:5:177850:226587:227803,CCOc1ccc(-c2cnc(OC3CCC3)cc2F)c(C2OCCO2)c1-c1ccnn1S(=O)(=O)N(C)C,MZSLKEYESRIVOV-UHFFFAOYSA-N
-rxn:5:177851:226918:225880,CCOc1c(-c2ccc(C3=CCCC3)cc2)cc(C2OCCO2)cc1-c1cc(C2CCOCC2)ncc1F,JBENXVJNKYOCTR-UHFFFAOYSA-N
-rxn:5:177891:223146:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1cccc(C2CNCCO2)c1,KHHMAIUDFWQCMY-UHFFFAOYSA-N
-rxn:5:177891:223146:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cccc(C2CNCCO2)c1,CDESJYKVGSKANC-UHFFFAOYSA-N
-rxn:5:177891:223147:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(C2CNCCO2)cc1,SDLALZDLKWFEGD-UHFFFAOYSA-N
-rxn:5:177891:223147:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccc(C2CNCCO2)cc1,FKHCGPKUZSEBMT-UHFFFAOYSA-N
-rxn:5:177891:223148:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccccc3C3CNCCO3)s2)CC1,KXULWMKXWOEQGN-UHFFFAOYSA-N
-rxn:5:177891:223242:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCNC2)c1,JEWWBRCEDYMGKT-UHFFFAOYSA-N
-rxn:5:177891:223378:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc3c(c2)NCCO3)s1)N1CCCC1,DVFSEVYKJMCERY-UHFFFAOYSA-N
-rxn:5:177891:225514:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCOCC1,RJRMLPBIFLSLRO-UHFFFAOYSA-N
-rxn:5:177891:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(OS(C)(=O)=O)cc1,SRPDBNWNLYUBEZ-UHFFFAOYSA-N
-rxn:5:177891:225810:223281,COc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3(O)COC3)nc2)c(C2OCCO2)c1,RXNJDLQFVVQNSP-UHFFFAOYSA-N
-rxn:5:177891:226183:222420,NS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cnccc1C1CCCCC1,HBHYZASFZJFKKH-UHFFFAOYSA-N
-rxn:5:177891:226583:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,CGADZXUNXSBBOR-UHFFFAOYSA-N
-rxn:5:177891:226645:225886,CS(=O)(=O)n1ccc2cc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(N4CCOCC4)c3)ccc21,OZJDQFVXBZMITD-UHFFFAOYSA-N
-rxn:5:177891:226645:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(N4CCOCC4)c3)s2)CC1,ANJSCTZAJCMBEO-UHFFFAOYSA-N
-rxn:5:177891:226649:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1cccnc1N1CCOCC1,PHDHBHYNFIYOGB-UHFFFAOYSA-N
-rxn:5:177891:226649:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1cccnc1N1CCOCC1,RZLDGBYITKKMGV-UHFFFAOYSA-N
-rxn:5:177891:226685:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1cnc(C2CCOCC2)nc1,OCDUVKFXKMPGDR-UHFFFAOYSA-N
-rxn:5:177891:227657:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(N2CCOCC2)s1,DSDTYYSWPAIQAF-UHFFFAOYSA-N
-rxn:5:178118:226335:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3COC3)c(C#N)c2)c(OCC2CCCCO2)c1,ZXWVPUMDEQMINM-UHFFFAOYSA-N
-rxn:5:178118:227348:225498,COc1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCCCO2)c(C)c1OC,MKDOMQJYSZUGTB-UHFFFAOYSA-N
-rxn:5:178120:225652:222404,CC1CCCN(c2cncc(-c3cccc(OCC4CCOCC4)c3-c3ccc(C4NC(=O)NC4=O)cc3)c2)C1,YRNCRDFNBFSCEU-UHFFFAOYSA-N
-rxn:5:178120:225677:227574,COc1c(F)ccc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CCCCC3)nc2F)c1OC,ZVBBHLVPYDOIHX-UHFFFAOYSA-N
-rxn:5:178122:225671:227562,COc1ccc(F)c(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2COC2CCCCO2)c1OC,UIOGCBBUUHSOEX-UHFFFAOYSA-N
-rxn:5:178226:225831:227506,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2cccc(/C=C/[N+](=O)[O-])c2)cnc1N1CCOCC1,CGFHNUNDEBRIOE-BUHFOSPRSA-N
-rxn:5:178295:222404:226137,COC(=O)C1(c2cc(-c3cc(C4CC4)cnc3C(C)C)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,BJWUQCBFMPMJTL-UHFFFAOYSA-N
-rxn:5:178295:223284:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,IKFRAGSTZZFNMY-UHFFFAOYSA-N
-rxn:5:178295:223288:228344,CNS(=O)(=O)c1cccc(-c2ccc(-c3ccc(SC(F)F)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZTWSOPOZVNKIQI-UHFFFAOYSA-N
-rxn:5:178295:223353:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cccc(NC(C)=O)c2)CCC(=O)CC1,ZWQHPOPJHSFTBK-UHFFFAOYSA-N
-rxn:5:178295:223353:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cccc(NC(C)=O)c2)CCC(=O)CC1,FLSYYRBADREPDM-UHFFFAOYSA-N
-rxn:5:178295:223357:227704,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3OC)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,STVGAZUWERLBML-UHFFFAOYSA-N
-rxn:5:178295:225417:226151,CCOc1ccc2ccccc2c1-c1ccc(-c2cc(C)c(C)cc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,LKGJUPXNEDCAHR-UHFFFAOYSA-N
-rxn:5:178295:225451:227831,CCc1c(C)cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,JGEPDJJOPMYTEJ-UHFFFAOYSA-N
-rxn:5:178295:225507:226208,COC(=O)C1CCc2cc(-c3ccc(-c4ccc5cc(OC)ncc5c4)cc3C3(C(=O)OC)CCC(=O)CC3)ccc21,XKSNJRUCUCWWDW-UHFFFAOYSA-N
-rxn:5:178295:225515:228518,CC#Cc1ccc(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RJJJQBPJUXHASY-UHFFFAOYSA-N
-rxn:5:178295:225886:227278,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CC4)nc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,HXHRVIPYJKYTRA-UHFFFAOYSA-N
-rxn:5:178295:226058:227205,COC(=O)C1(c2cc(-c3cccc4c3OCCCO4)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,OAPZQIZBQROGPF-UHFFFAOYSA-N
-rxn:5:178295:226059:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,MJAMKUMKTHOFCP-UHFFFAOYSA-N
-rxn:5:178295:226059:228318,COC(=O)c1ccncc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,SHMGYSUXZRYDQW-UHFFFAOYSA-N
-rxn:5:178295:226061:227906,CCC(C)c1ncccc1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,MEVXMJUKVDECDZ-UHFFFAOYSA-N
-rxn:5:178295:226062:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,MSFQPHHYEBNBGC-UHFFFAOYSA-N
-rxn:5:178295:226062:228541,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,CRLMNOKCMPOYOL-UHFFFAOYSA-N
-rxn:5:178295:226068:228639,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,JVCJQHOLGZSTGC-UHFFFAOYSA-N
-rxn:5:178295:226085:227832,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3C)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,CHNUHHSVCVAFIW-UHFFFAOYSA-N
-rxn:5:178295:226140:227827,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,UVRIBOZMVXUDTC-UHFFFAOYSA-N
-rxn:5:178295:226140:228182,COC(=O)C1(c2cc(-c3cccc(CC(F)F)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,NJCMJYPYGVRUEZ-UHFFFAOYSA-N
-rxn:5:178295:226140:228571,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,HMDLKRQAWJPORD-UHFFFAOYSA-N
-rxn:5:178295:226150:227831,CCc1c(C)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,BWYFWVXCUPACNW-UHFFFAOYSA-N
-rxn:5:178295:226211:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,RMBGIPDRALHFEZ-UHFFFAOYSA-N
-rxn:5:178295:226211:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,PPINWKZBWZEQJN-UHFFFAOYSA-N
-rxn:5:178295:226212:228517,CC#Cc1ccccc1-c1ccc(-c2ccc3c(c2)CCC3=NOC)c(C2(C(=O)OC)CCC(=O)CC2)c1,GYSPHPXRUJBAPY-UHFFFAOYSA-N
-rxn:5:178295:226322:228344,COC(=O)C1(c2cc(-c3ccc(SC(F)F)cc3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,PKTAKBZHIGDHEZ-UHFFFAOYSA-N
-rxn:5:178295:226461:226329,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CC4)c(F)c3)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,GIQNAVKXDYKXND-UHFFFAOYSA-N
-rxn:5:178295:226580:228519,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3C)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,FUHQRDOGOFVBAC-UHFFFAOYSA-N
-rxn:5:178295:226580:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,XZXDGPWSUGFULC-UHFFFAOYSA-N
-rxn:5:178295:226582:228178,COCc1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HRUPFRJJCWFWKJ-UHFFFAOYSA-N
-rxn:5:178295:226589:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,AJFQMDLJSGOYCP-UHFFFAOYSA-N
-rxn:5:178295:226601:227933,CCc1ccc(OC)cc1-c1ccc(-c2c(OC(C)C)ccc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,LZKLEFZMNCUROG-UHFFFAOYSA-N
-rxn:5:178295:226912:228078,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4=O)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,WSNPDVMYNKGKNM-UHFFFAOYSA-N
-rxn:5:178295:226912:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,IXGXQENPZOFPDG-UHFFFAOYSA-N
-rxn:5:178295:226916:228141,CCCc1cc(F)c(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FTSFFQYEEDPCIM-UHFFFAOYSA-N
-rxn:5:178295:226916:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc(C3=CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PPHTWCCMAHEBJR-UHFFFAOYSA-N
-rxn:5:178295:226920:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,VDGFCLNOQMYYFE-UHFFFAOYSA-N
-rxn:5:178295:226920:228320,COC(=O)c1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,JLMJSVDHPOBOIB-UHFFFAOYSA-N
-rxn:5:178295:226924:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cc(C)cc(C3CC3)c2C)CCC(=O)CC1,YWTNYSDYGXAZFM-UHFFFAOYSA-N
-rxn:5:178295:226926:227319,COC(=O)C1(c2cc(-c3cc(CC(C)C)ncc3F)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,PJCMFUJZEJVBKT-UHFFFAOYSA-N
-rxn:5:178295:227038:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,ZWQWBDKUJJLGEJ-UHFFFAOYSA-N
-rxn:5:178295:227038:227950,COC(=O)C1(c2cc(-c3cc(N(C)C)ccc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,DNALULBYZBDUGV-UHFFFAOYSA-N
-rxn:5:178295:227043:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(OC(C)C)cc2C)CCC(=O)CC1,UICYHNWFUUAPOZ-UHFFFAOYSA-N
-rxn:5:178295:227045:226921,COC(=O)C1(c2cc(-c3cc(C4CC4)c(C)cc3C)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,MVUWYKUSIKIOMD-UHFFFAOYSA-N
-rxn:5:178295:227045:228177,COCc1ccc(F)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,QQJMJGWZWFEOIS-UHFFFAOYSA-N
-rxn:5:178295:227046:223421,CNC(C)c1ccc(-c2ccc(-c3cc(C)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,HDMZLDWLFLWCNH-UHFFFAOYSA-N
-rxn:5:178295:227047:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2cccc(SC3CCC3)c2)CCC(=O)CC1,LUJMQTPLSHMGIF-UHFFFAOYSA-N
-rxn:5:178295:227048:227319,COC(=O)C1(c2cc(-c3cc(CC(C)C)ncc3F)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,HNELVMBSMCZTAL-UHFFFAOYSA-N
-rxn:5:178295:227049:228178,CCOc1c(C)cc(-c2ccc(-c3cc(COC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,NBEBKCBUSRIJAA-UHFFFAOYSA-N
-rxn:5:178295:227051:227070,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccc(C(=O)CC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QWPBGNXLZPFIER-UHFFFAOYSA-N
-rxn:5:178295:227051:227287,CCC(=O)c1ccc(-c2ccc(-c3ccc(C(C)C)nc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,PGYYNQLSRLSCBK-UHFFFAOYSA-N
-rxn:5:178295:227052:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,WOGSHWPQRUHRJS-UHFFFAOYSA-N
-rxn:5:178295:227052:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WBEJQADORQNNES-UHFFFAOYSA-N
-rxn:5:178295:227064:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,UIAACCCMFFNPTF-UHFFFAOYSA-N
-rxn:5:178295:227068:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(CC(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,VRAWWTRDDCELAB-UHFFFAOYSA-N
-rxn:5:178295:227068:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VDARGRBCBBSWMS-UHFFFAOYSA-N
-rxn:5:178295:227075:227907,CCC(C)c1cncc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,URERTNBPSGEUNE-UHFFFAOYSA-N
-rxn:5:178295:227075:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,FZEKEASDZOAQQP-UHFFFAOYSA-N
-rxn:5:178295:227075:228115,COC(=O)C1(c2cc(-c3ccc(OC(C)C)nc3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,DAGNTLHGROSWEY-UHFFFAOYSA-N
-rxn:5:178295:227102:228713,COC(=O)C1(c2cc(-c3ccn(C(C)(C)C)n3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,PBCGOLAKINPQNG-UHFFFAOYSA-N
-rxn:5:178295:227103:227312,CCC(C)c1ccc(-c2ccc(-c3sccc3C3CCCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,ZQGBPCFLGPAOMK-UHFFFAOYSA-N
-rxn:5:178295:227107:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,OMIVMMARZIDLAK-UHFFFAOYSA-N
-rxn:5:178295:227183:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccc3c(c2)CN(C)C3=O)CCC(=O)CC1,QSPBUHKWTVCXSE-UHFFFAOYSA-N
-rxn:5:178295:227207:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,DULPFWQRTRXMIL-UHFFFAOYSA-N
-rxn:5:178295:227207:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,HSDXLILWWBXHTP-UHFFFAOYSA-N
-rxn:5:178295:227276:227926,CCc1cc(N(C)C)ncc1-c1ccc(-c2ccc(SC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,XKFDSUZSHQPRSZ-UHFFFAOYSA-N
-rxn:5:178295:227286:228255,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3OC)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,KKHWFVOZWSPWDR-UHFFFAOYSA-N
-rxn:5:178295:227298:228146,CCc1cncc(-c2ccc(-c3cc(F)ccc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,ZKPNBCSGBDIOIF-UHFFFAOYSA-N
-rxn:5:178295:227312:228275,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,LWEQYCMEUGLIOP-UHFFFAOYSA-N
-rxn:5:178295:227317:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccnc(OC(C)(C)C)c2)CCC(=O)CC1,UGCFGJBIZNSHIL-UHFFFAOYSA-N
-rxn:5:178295:227343:227816,CCCc1ccc(-c2ccc(-c3cc(C)cc(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JVQFDLOQLCZQHV-UHFFFAOYSA-N
-rxn:5:178295:227351:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GWMPUDSQBLVDPA-UHFFFAOYSA-N
-rxn:5:178295:227353:228243,COC(=O)C1(c2cc(-c3cccc(C(C)=O)c3F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,PIYXFWXJRCMURM-UHFFFAOYSA-N
-rxn:5:178295:227361:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,UHLQZAZUHURRRU-UHFFFAOYSA-N
-rxn:5:178295:227402:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(F)nc(C(C)(C)C)c2)CCC(=O)CC1,LOWLDWKPTMBYCS-UHFFFAOYSA-N
-rxn:5:178295:227409:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C(C)(C)C)ncc2F)CCC(=O)CC1,BWNLZFXCJCIURT-UHFFFAOYSA-N
-rxn:5:178295:227521:227811,COC(=O)c1cnc(C)c(-c2ccc(-c3ccc(CC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WMRLDCIZLPWMIZ-UHFFFAOYSA-N
-rxn:5:178295:227525:227833,CCc1cnc(C(F)F)cc1-c1ccc(-c2c(C)cc(C)cc2CC)cc1C1(C(=O)OC)CCC(=O)CC1,LHVOIXCFIAGKFU-UHFFFAOYSA-N
-rxn:5:178295:227525:227920,CCC(=O)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RKYYXWNNMLUKSD-UHFFFAOYSA-N
-rxn:5:178295:227530:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KPZDWCWGKXDHNP-UHFFFAOYSA-N
-rxn:5:178295:227540:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,BDZSCAZZZVVTIS-UHFFFAOYSA-N
-rxn:5:178295:227540:228277,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,LAPJJJCVMNAORV-UHFFFAOYSA-N
-rxn:5:178295:227588:228623,COC(=O)C1(c2cc(-c3sccc3C3CCC3)ccc2-c2c(OC)cc(F)cc2OC)CCC(=O)CC1,GBXVNBNCDZYFFL-UHFFFAOYSA-N
-rxn:5:178295:227705:227831,CCc1c(C)cc(-c2ccc(-c3cnc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,IKMKTQFALHMGMB-UHFFFAOYSA-N
-rxn:5:178295:227807:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cccc3c2CCCC3)c(C2(C(=O)OC)CCC(=O)CC2)c1,IQRWXSCJWMSVOL-UHFFFAOYSA-N
-rxn:5:178295:227813:226059,CCc1cccc(CC)c1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JVTNJLOUFLTOFM-UHFFFAOYSA-N
-rxn:5:178295:227814:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(CC3CC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NTTGBOBJXPMXED-UHFFFAOYSA-N
-rxn:5:178295:227815:226131,CCC(C)c1ccccc1-c1ccc(-c2ccccc2CN2CCCC2)cc1C1(C(=O)OC)CCC(=O)CC1,HCEUGNUYGBPLQW-UHFFFAOYSA-N
-rxn:5:178295:227817:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,YROMRYKZLNLDDO-UHFFFAOYSA-N
-rxn:5:178295:227818:226589,CCC(C)c1cccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GXVBAQJRYARTAY-UHFFFAOYSA-N
-rxn:5:178295:227820:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,RXGFKMZWTAAUNC-UHFFFAOYSA-N
-rxn:5:178295:227820:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,SRUDSTRQXMFYOT-UHFFFAOYSA-N
-rxn:5:178295:227821:226913,CCc1cc(-c2ccc(-c3cc(C)cc(C)c3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,WTRHCMFHSMIIMV-UHFFFAOYSA-N
-rxn:5:178295:228006:227309,CCC(C)c1cc(-c2ccc(-c3cc(OC)c(C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,YLNNJGNHIJDCHH-UHFFFAOYSA-N
-rxn:5:178295:228160:227038,CCOc1cccc(F)c1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,XCQJTUMOXFPHMD-UHFFFAOYSA-N
-rxn:5:178295:228177:226067,COCc1ccc(F)cc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,VDZROGWXHSXIBS-UHFFFAOYSA-N
-rxn:5:178295:228177:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(F)ccc3COC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CCRJQFCKZJGZDV-UHFFFAOYSA-N
-rxn:5:178295:228178:227041,CCOc1cc(C)c(-c2ccc(-c3cc(COC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,WGUJQGAGBMEZSK-UHFFFAOYSA-N
-rxn:5:178295:228179:226062,COCc1cc(F)cc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BBTGISCHNSDLOQ-UHFFFAOYSA-N
-rxn:5:178295:228181:227058,COCc1cc(F)ccc1-c1ccc(-c2cc(C3CC3)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,YTLOHYNXMHMVST-UHFFFAOYSA-N
-rxn:5:178295:228206:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)cc(N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,KXGGYQVGPONNAB-UHFFFAOYSA-N
-rxn:5:178295:228252:227071,COCc1cc(C)c(-c2ccc(-c3c(OC)ccc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,UMTIMVYGPXZKDQ-UHFFFAOYSA-N
-rxn:5:178295:228253:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc(P(C)(C)=O)cc2)CCC(=O)CC1,RWINPHXFTTUHMS-UHFFFAOYSA-N
-rxn:5:178295:228257:227120,COC(=O)C1(c2cc(-c3ccc(C4CCC4)cc3F)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,TUQQEJHZWCTLHW-UHFFFAOYSA-N
-rxn:5:178295:228279:227290,CCc1cc(F)c(-c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,SBNPJCANZQLSDV-UHFFFAOYSA-N
-rxn:5:178295:228318:227069,COC(=O)c1ccncc1-c1ccc(-c2ccc(OC)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,FCUANKSUPRUKME-UHFFFAOYSA-N
-rxn:5:178295:228383:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2cnc(C(F)F)c(C)c2)CCC(=O)CC1,OBLRJLSKQSXEDW-UHFFFAOYSA-N
-rxn:5:178295:228396:226910,CCC(C)(C)c1ccc(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,WHITZHYZRFLNIY-UHFFFAOYSA-N
-rxn:5:178295:228415:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)ccc2C(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,LVFKSQOXLWQVPU-UHFFFAOYSA-N
-rxn:5:178295:228443:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(F)c(SC)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,CWGBJPNPYXOWFG-UHFFFAOYSA-N
-rxn:5:178295:228503:226783,COC(=O)C1(c2cc(-c3c(OC)cc(F)c(F)c3OC)ccc2-c2ccc3c(c2)CCC3)CCC(=O)CC1,GHDNSDFTJOXNID-UHFFFAOYSA-N
-rxn:5:178295:228520:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cc(C)c(C)cc2C)CCC(=O)CC1,YOWXHGLMOBCEEY-UHFFFAOYSA-N
-rxn:5:178295:228546:226062,CCCc1cnccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,BNFBPWLNVUBABN-UHFFFAOYSA-N
-rxn:5:178295:228557:226579,COCc1cccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VRBNNTCHFHGCQQ-UHFFFAOYSA-N
-rxn:5:178295:228562:226973,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AJRYRGKMVQZPOZ-UHFFFAOYSA-N
-rxn:5:178295:228562:227297,CCC(C)c1csc(-c2ccc(-c3cc(CN(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HCYYTFBCMDARAH-UHFFFAOYSA-N
-rxn:5:178295:228567:227523,CCC(C)c1sccc1-c1ccc(-c2cc(C)ncc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,AREKTWNPWCZGMJ-UHFFFAOYSA-N
-rxn:5:178295:228583:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccnc(C(C)C)c2)CCC(=O)CC1,VWGSZZOUDWEHMO-UHFFFAOYSA-N
-rxn:5:178295:228609:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2ccc(C)c(OC)c2)CCC(=O)CC1,RTMPNKYDKQRBRA-UHFFFAOYSA-N
-rxn:5:178295:228624:226589,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2ccc(C)c(SC)c2)CCC(=O)CC1,JLAFTWBEMZGQKS-UHFFFAOYSA-N
-rxn:5:178295:228687:226771,CCSc1ccc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,SQAJKNQUCASOSY-UHFFFAOYSA-N
-rxn:5:178295:228694:227048,CCN(C)c1csc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HRLLBMMEOWDZNH-UHFFFAOYSA-N
-rxn:5:178295:228696:226771,COCc1ccc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,HEUPNAJHFDIMIG-UHFFFAOYSA-N
-rxn:5:178295:228721:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccnn2C(C)(C)C)CCC(=O)CC1,SBOAFZCGPUWXQA-UHFFFAOYSA-N
-rxn:5:178295:228759:223002,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,BYZLHXNCDZLMJB-UHFFFAOYSA-N
-rxn:5:178295:228780:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2cccc(F)c2OC)CCC(=O)CC1,KOYYXPMIBJRLCG-UHFFFAOYSA-N
-rxn:5:178295:228802:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccccc2C(F)F)CCC(=O)CC1,KDWHADHXWWXTBA-UHFFFAOYSA-N
-rxn:5:178295:228991:226772,CCCc1sccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HPSXSOQGHQVZQH-UHFFFAOYSA-N
-rxn:5:178315:226685:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc(C3CCOCC3)nc2)c1,YHXXPBMHKDCTFO-UHFFFAOYSA-N
-rxn:5:178466:225980:225655,CC1CCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cc(N6CCOCC6)ncc5F)ccc34)c2)CC1,JUEPGTZRJHDVTJ-UHFFFAOYSA-N
-rxn:5:178467:223065:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,RYGPUDQPVBZJPA-UHFFFAOYSA-N
-rxn:5:178467:223066:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)c2OC1,GTHAEFJJELWYQR-UHFFFAOYSA-N
-rxn:5:178467:223135:226148,CCOC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cccnc3C3CCCNC3)c2OC1,ANSLTWRTDOUGNK-UHFFFAOYSA-N
-rxn:5:178467:223140:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,ITXBTPPHHHNCRX-UHFFFAOYSA-N
-rxn:5:178467:225407:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3ccc(C4CCCCCC4)cc3)c2OC1,KEZMQZAPDQDRJU-UHFFFAOYSA-N
-rxn:5:178467:225652:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cncc(N4CCCC(C)C4)c3)c2OC1,MSFWPBHNMGEGEX-UHFFFAOYSA-N
-rxn:5:178467:225831:227702,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cnc3F)cc(-c3cnc(N4CCOCC4)c(C)c3)c2OC1,YGJMTIYNOVTFMF-UHFFFAOYSA-N
-rxn:5:178467:225976:228318,CCOC(=O)C1=Cc2cc(-c3cnccc3C(=O)OC)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NIOCDLQSCNYTME-UHFFFAOYSA-N
-rxn:5:178467:225982:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,HMHSULDJZPQDTB-UHFFFAOYSA-N
-rxn:5:178467:226067:227569,CCOC(=O)C1=Cc2cc(-c3c(OC)ccc(F)c3OC)cc(-c3ccc(C4=CCCCC4)cc3)c2OC1,XDMMSMZHMHNVDF-UHFFFAOYSA-N
-rxn:5:178467:226069:226783,CCOC(=O)C1=Cc2cc(-c3c(OC)cc(F)c(F)c3OC)cc(-c3cccc(C4CCCCC4)c3)c2OC1,FOZIQYAZDRZFOY-UHFFFAOYSA-N
-rxn:5:178467:226069:227592,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(OC)c3OC)cc(-c3cccc(C4CCCCC4)c3)c2OC1,GFJMOHZAJGCZNQ-UHFFFAOYSA-N
-rxn:5:178467:226601:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3c(OC(C)C)ccc(F)c3F)c2OC1,ZVFMSHNGTHXJRC-UHFFFAOYSA-N
-rxn:5:178467:226649:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3cccnc3N3CCOCC3)c2OC1,AAHATXKCQNGQGN-UHFFFAOYSA-N
-rxn:5:178467:226662:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,CDMZOZOQPTZUON-UHFFFAOYSA-N
-rxn:5:178467:226663:226085,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CCC(C)(C)O4)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,SWTXURLCUCFWSL-UHFFFAOYSA-N
-rxn:5:178467:227050:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(OC(C)C)c(C)c3)c2OC1,FVUBAJXBBSXTOZ-UHFFFAOYSA-N
-rxn:5:178467:227531:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(C(=O)OC)c3)c2OC1,GLWJZVODXRBNJB-UHFFFAOYSA-N
-rxn:5:178467:227701:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,CATRAIAIVKDGNC-UHFFFAOYSA-N
-rxn:5:178467:227803:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,SUUWOTBMPKBMNV-UHFFFAOYSA-N
-rxn:5:178467:227803:227491,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,HSDZZGQTAIBIKD-UHFFFAOYSA-N
-rxn:5:178467:228097:225880,CCOC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,YMLGHUBWFDBZNA-UHFFFAOYSA-N
-rxn:5:178467:228457:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnc(C(=O)OC)nc3)c2OC1,DUERGGMWYZDYQJ-UHFFFAOYSA-N
-rxn:5:178467:228974:222988,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,GUTRVRGGEMQVOP-UHFFFAOYSA-N
-rxn:5:179418:225805:225637,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2N2CCN(C)CC2)s1)N1CCOCC1,BYRBTAYRLBPDRR-UHFFFAOYSA-N
-rxn:5:179418:225805:226583,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCOCC3)s2)s1)N1CCOCC1,UNDWERGZTZTIGL-UHFFFAOYSA-N
-rxn:5:179629:223065:225636,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,SZOOQPMHSFELSI-UHFFFAOYSA-N
-rxn:5:179629:226425:226583,COc1ccc(-c2ccc(N3CCCCC3C)s2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,DLFWRKRBMSXCOH-UHFFFAOYSA-N
-rxn:5:179629:226429:226583,COc1ccc(-c2ccc(N3CCCC(C)C3)s2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,IGNJIGRJEVYCGT-UHFFFAOYSA-N
-rxn:5:179629:226583:226425,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(N2CCCCC2C)s1,IHTZLQXQUYNLKG-UHFFFAOYSA-N
-rxn:5:180021:226452:225985,COc1c(-c2ccc(C3OCCCO3)cc2)cc(C2OCCO2)cc1-c1cccc(N2CCCS2(=O)=O)c1,CKEDXHMPUBEDPR-UHFFFAOYSA-N
-rxn:5:180022:222996:223139,COc1c(-c2ccc(C3CCNCC3)nc2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,NFJVOCQGKQSRGG-UHFFFAOYSA-N
-rxn:5:180203:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(OC2CCOCC2)cc(-c2ccc(CN3CCOCC3)s2)c1,MWNQNGQJXFWYCA-UHFFFAOYSA-N
-rxn:5:180297:225672:227501,COc1cc(-c2cc(F)nc(C3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(C=C[N+](=O)[O-])cc1,AXZOZOKQNHTQCN-UHFFFAOYSA-N
-rxn:5:180506:226366:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccnc(N3CCCCC3)c2)cc(C(C)(C)C)cc1C1OCCO1,IBGOEXSXINAYJI-UHFFFAOYSA-N
-rxn:5:180662:222986:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,ABDGXBOPOQTIMT-UHFFFAOYSA-N
-rxn:5:180662:222987:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,WAPHASXVXMUWAZ-UHFFFAOYSA-N
-rxn:5:180662:222994:226973,COC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3cccc(N4CCC(O)CC4)c3)c2OC1,MTZLZVMWLFZQOI-UHFFFAOYSA-N
-rxn:5:180662:223010:222980,COC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,OTTCDPLOCQQPTN-UHFFFAOYSA-N
-rxn:5:180662:223054:222421,COC(=O)C1=Cc2cc(-c3cncc(S(N)(=O)=O)c3)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2OC1,MJELLZQPHUETLX-UHFFFAOYSA-N
-rxn:5:180662:223061:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PITWQABKDAVLIW-UHFFFAOYSA-N
-rxn:5:180662:223138:227768,COC(=O)C1=Cc2cc(-c3cccn3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CWDUPLKSMONDMZ-UHFFFAOYSA-N
-rxn:5:180662:223141:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncc(C4CCNCC4)c3)c2OC1,CCAJFIPMKGQILQ-UHFFFAOYSA-N
-rxn:5:180662:223200:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(C4CCNC4)cc3)c2OC1,DLDXLZAKHPBHPJ-UHFFFAOYSA-N
-rxn:5:180662:225798:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(OC4CCOCC4)nc3)c2OC1,WXUXKWXMOCIRDQ-UHFFFAOYSA-N
-rxn:5:180662:225985:223281,COC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,TVHKIXIOWOSWKZ-UHFFFAOYSA-N
-rxn:5:180662:226907:225880,COC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3cccc4c3CCC43CC3)c2OC1,SOSZSIRCGBHYSI-UHFFFAOYSA-N
-rxn:5:181904:222956:226330,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCC3)s2)c(C2CCCNC2)c1,GOLLUFRPYMUHCF-UHFFFAOYSA-N
-rxn:5:181908:222996:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(F)cc2C2CCCNC2)cc(C2CCCNC2)c1,WEIZYDYSKCOTGT-UHFFFAOYSA-N
-rxn:5:181908:226183:225805,Cc1cc(-c2cnccc2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,YLRZASZKMOXIGU-UHFFFAOYSA-N
-rxn:5:182012:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCCC3)c2)cc1C1CCCOC1,PAVIQSYFIPNJKY-UHFFFAOYSA-N
-rxn:5:182012:226652:222998,Cc1cc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(C3CCCOC3)c2)n(C2CCCCO2)n1,ICPSVNZXXCXXLG-UHFFFAOYSA-N
-rxn:5:182012:227613:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C1CCCOC1,BCNWCNOTDFZXHB-UHFFFAOYSA-N
-rxn:5:183189:226686:225880,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCOCC3)ncc2F)cc2c1OC(C)(C)OC2,NPMWPGGPRXKRQY-UHFFFAOYSA-N
-rxn:5:188448:225595:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c([N+](=O)[O-])cc1-c1ccc(F)c(CN2CCCC2)c1,LCIAOWZRAGOISF-UHFFFAOYSA-N
-rxn:5:188448:225633:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)c([N+](=O)[O-])cc1-c1ccc(N2CCCCCC2)nc1,VYHIRTKFHTUZDL-UHFFFAOYSA-N
-rxn:5:188461:225833:225655,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccnc(N3CCCCC3)c2F)c1-c1cncc(N2CCC(C)CC2)c1,PDAJRNPDCVWNGF-UHFFFAOYSA-N
-rxn:5:188461:225834:225636,COC(=O)c1cc([N+](=O)[O-])cc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccnc(N2CCC(C)CC2)c1,JALJFHPWORJHAQ-UHFFFAOYSA-N
-rxn:5:188930:223142:223142,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCNC3)nc2)cc1-c1ccc(C2CCCNC2)nc1,YWZIUMKEXNYYSU-UHFFFAOYSA-N
-rxn:5:188930:223148:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)cc1-c1cccnc1C1CCCNC1,WGDWASFEZUGGCV-UHFFFAOYSA-N
-rxn:5:188932:223063:226794,COC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)c(S(N)(=O)=O)c(-c2cc(F)nc(C3CCNCC3)c2)c1,LNQKBQFFZZEHCU-UHFFFAOYSA-N
-rxn:5:189207:225470:226862,CC1CCN(c2ccc(-c3ccc(-c4cccc(OC(F)(F)F)c4F)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)CC1,MGQNUYVPTGVTIG-UHFFFAOYSA-N
-rxn:5:189207:227540:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(SC)cc(F)c2OC)cc1C(=O)ON1C(=O)CCC1=O,AJPZUPMUXULIJC-UHFFFAOYSA-N
-rxn:5:189210:226589:227045,CC(C)c1cnc(C(F)F)cc1-c1cccc(-c2cccc(SC(C)(C)C)c2)c1C(=O)ON1C(=O)CCC1=O,KCKCKRYERYMDDR-UHFFFAOYSA-N
-rxn:5:189321:225805:225976,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(C(=O)OC(C)(C)C)n2)s1)N1CCOCC1,BJVFHJGPFMFNIG-UHFFFAOYSA-N
-rxn:5:189513:225634:225834,Cc1cc(-c2ccc([N+](=O)[O-])c(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5)ncc4F)cc3)c2)cnc1N1CCCCC1,PTAJDKCAAVYERL-UHFFFAOYSA-N
-rxn:5:189538:225871:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(=O)N(C)C(C)C)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,MCEWKHAEUIMOAI-UHFFFAOYSA-N
-rxn:5:189539:226062:223018,CC(C)c1cc(-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)C)c1,KEYKNBQZPAHFPC-UHFFFAOYSA-N
-rxn:5:189666:227313:223018,CCC(C)c1cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)cn1,VBNFJCCZAILZHS-WEAAQKFYSA-N
-rxn:5:189669:226912:223018,Cc1cc(CC(C)C)cc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,XQYRBMWNPXIOCV-HNSNBQBZSA-N
-rxn:5:189670:226862:226415,CC(C)(C)S(=O)/N=C/c1cc(-c2cccc(OC(F)(F)F)c2F)ccc1-c1ccccc1N1CCOCC1,ZVTLHYGBWBGPFH-DPNNOFEESA-N
-rxn:5:190000:227506:223140,O=C(Cc1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CCCCC1,JDRKYANJGLLVCJ-SFQUDFHCSA-N
-rxn:5:190001:223284:226059,CC(C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(NS(C)(=O)=O)cc2)c(C(C)C)c1,UCGQJDXLDQXJQL-UHFFFAOYSA-N
-rxn:5:190194:226069:227561,COc1cc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(C3CCCCC3)c2)cc1OC,GGFPLHDMMAEMCP-UHFFFAOYSA-N
-rxn:5:190194:226146:227059,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCC3)cc2)cc1C(C)C,PQDOWSOZSOXUQX-UHFFFAOYSA-N
-rxn:5:190194:227561:226064,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)cc1OC,XHJWFOADALRMCA-UHFFFAOYSA-N
-rxn:5:190195:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,GGDGRJDGDQUHCQ-UHFFFAOYSA-N
-rxn:5:190195:223113:225881,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(C3CCOCC3)nc2F)c1)C1CCOCC1,ALFFOTOCOKSVAW-UHFFFAOYSA-N
-rxn:5:190195:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(CN2CCOCC2)s1,RINMXVPBECISMR-UHFFFAOYSA-N
-rxn:5:190196:223113:226588,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cc(OC2CCC2)ncc1F)C1CCOCC1,GNGYNWUZUDDCRH-UHFFFAOYSA-N
-rxn:5:190197:227506:223064,CN(Cc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cccc(/C=C/[N+](=O)[O-])c1)C1CCOCC1,KWTOHEPCKSLWIR-LFIBNONCSA-N
-rxn:5:190199:223065:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCNCC2)cc1F)C1CCOCC1,CTMQIRRKHGJZIB-UHFFFAOYSA-N
-rxn:5:190199:223113:226571,CN(Cc1cc(-c2cnn(CC3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,RWSJOCNNUSMLHK-UHFFFAOYSA-N
-rxn:5:190201:226571:223113,CC1CN(CCc2cc(-c3cnn(CC4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PHGIUJTZCBDMPV-UHFFFAOYSA-N
-rxn:5:190231:226645:227316,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1,CIBDGHOROHPANM-UHFFFAOYSA-N
-rxn:5:190231:228521:226870,COc1c(-c2cc(C)c(C)c(C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(F)c(OC(F)(F)F)c1,PGWMNEGVBPMJHB-UHFFFAOYSA-N
-rxn:5:190231:228694:226884,CCN(C)c1csc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3c(F)cc(C(F)(F)F)cc3F)c2OC)c1,ANVGFYVCUKGDSA-UHFFFAOYSA-N
-rxn:5:190265:223285:227048,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(=O)C(C)C)cc3)c(-c3ccccc3NS(C)(=O)=O)c2)C1,IWPROXPVCKRYLR-UHFFFAOYSA-N
-rxn:5:190484:226661:226665,CN1CCN(c2csc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc(C6CCCOC6)nc5)S(=O)(=O)CC4)c3)c2)CC1,QUCXHUUOUKBBDL-UHFFFAOYSA-N
-rxn:5:190484:226665:227507,O=C(c1cccc(-c2cnc(C3CCCOC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,CKUZDLMWQVJYTO-UHFFFAOYSA-N
-rxn:5:190484:227065:227409,CC(C)C(=O)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,QWSIEDBXOBPIDJ-UHFFFAOYSA-N
-rxn:5:190484:227901:227415,CC(C)Cc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cn1,QZQRJSPSOKJWFC-UHFFFAOYSA-N
-rxn:5:190484:228113:227409,CCc1nc(OC)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,JIOFPQDNWAVWMS-UHFFFAOYSA-N
-rxn:5:190484:228198:227079,Cc1nc(C(C)C)ncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ccc3F)S(=O)(=O)CC2)c1,HJIAAPBFJOIHKW-UHFFFAOYSA-N
-rxn:5:190742:223061:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,CQTVPXSYMXLKLW-UHFFFAOYSA-N
-rxn:5:190742:223065:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccc(CN2CCSCC2)c1,PUYUGBSTDXSTHB-UHFFFAOYSA-N
-rxn:5:190743:226661:225980,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1cc(N2CCOCC2)ncc1F,ASZDOAUTPJTYBE-UHFFFAOYSA-N
-rxn:5:190744:225881:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZDCGYRQOSWMQLE-UHFFFAOYSA-N
-rxn:5:190796:225515:226058,CC(C)c1cccc(C(C)C)c1-c1cccc2c1c(-c1cccc3c1OCC(C)(C)CO3)cn2C(=O)OC(C)(C)C,RIYAEKBVVSWBIR-UHFFFAOYSA-N
-rxn:5:190797:223018:226059,CC(C)c1ccc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc3c2ccn3C(=O)OC(C)(C)C)c(C(C)C)c1,KQTAORIWTLXTJW-UHFFFAOYSA-N
-rxn:5:190833:226580:228283,CC(=O)c1cc(F)ccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,RPOWSCIVHHESCZ-UHFFFAOYSA-N
-rxn:5:190833:226914:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(CC(C)C)cc2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,KQNCPBQQTPNUHE-UHFFFAOYSA-N
-rxn:5:190833:227075:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,LNLMFQPQYNPRTO-UHFFFAOYSA-N
-rxn:5:190833:227963:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3ccnc(C(C)(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,MFWPXNLTIPROCD-UHFFFAOYSA-N
-rxn:5:190859:227058:227048,COc1ccc(C2CC2)cc1-c1ccc2c(c1-c1ccc(C(=O)C(C)C)cc1)CCN2C(=O)OC(C)(C)C,XKSRORUXEMSDSO-UHFFFAOYSA-N
-rxn:5:190993:225655:223006,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(F)c(C6CCNCC6)c5)cc3)C(=O)CO4)c2)CC1,RQZUCNPGJXWJDB-UHFFFAOYSA-N
-rxn:5:191026:227076:226926,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,BBJPLIZWHJWKIF-UHFFFAOYSA-N
-rxn:5:191026:227818:227048,CCC(C)c1cccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(=O)C(C)C)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,FARQDPLVMLUCSI-UHFFFAOYSA-N
-rxn:5:192234:225607:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(-c2ccc(C(C)N3CCCCC3)s2)cc1S(N)(=O)=O,UBLOQKDAFLUYDP-UHFFFAOYSA-N
-rxn:5:192235:223138:225805,COc1cc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,IXWIPKMYAMICEJ-UHFFFAOYSA-N
-rxn:5:193227:226608:227103,CC(C)Oc1c(-c2cc(C(=O)N3CCOCC3)cc(-c3sccc3C3CCCCC3)c2)ccc(F)c1F,BRECQGYOWQRFPI-UHFFFAOYSA-N
-rxn:5:193228:223173:226371,Cc1cc(N2CCCC2)ncc1-c1cc(C(=O)N2CCSCC2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,KSSSDJDSZXPZGO-UHFFFAOYSA-N
-rxn:5:193231:227376:225985,O=C(c1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCSCC1,HOSOLXOFROMCOI-UHFFFAOYSA-N
-rxn:5:193337:223138:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(C3CCNCC3)c2)cc1CN1CCOCC1,FBGVLVWKCZBCAC-UHFFFAOYSA-N
-rxn:5:193382:222956:226644,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cncc(N4CCOCC4)c3)c2)c(C2CCCNC2)c1,SCRUDDGVVMANAC-UHFFFAOYSA-N
-rxn:5:193382:222959:228868,COC(=O)c1ccc(-c2cc(-c3ccc(C4CCNCC4)c(C)c3)ccc2S(=O)(=O)N2CCOCC2)s1,WAVYLZKUNXEQKA-UHFFFAOYSA-N
-rxn:5:193382:222987:223200,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNC3)cc2)c1,DBRUUWJVWPBISL-UHFFFAOYSA-N
-rxn:5:193382:222988:222958,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)cc(C2CCNCC2)n1,BXSFETVALOTHSA-UHFFFAOYSA-N
-rxn:5:193382:223001:223008,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,WSMHHXIOYQXCIL-UHFFFAOYSA-N
-rxn:5:193382:223058:223064,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,MHVBQOCQTNQIRW-UHFFFAOYSA-N
-rxn:5:193382:223135:223201,O=S(=O)(c1ccc(-c2cccnc2C2CCCNC2)cc1-c1ccccc1C1CCNC1)N1CCOCC1,TXSWAXVVEBLDTN-UHFFFAOYSA-N
-rxn:5:193382:223141:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,DHONMALCOWVCTB-UHFFFAOYSA-N
-rxn:5:193382:223141:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,HKLFSLKAOIYLEY-UHFFFAOYSA-N
-rxn:5:193382:223142:225881,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,JCTSGPJPFULOQZ-UHFFFAOYSA-N
-rxn:5:193382:223147:226330,CC(c1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,UJVSLOKBMCFICH-UHFFFAOYSA-N
-rxn:5:193382:223286:223141,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cncc(C4CCNCC4)c3)c2)c1,QOTMEMXHXHDFTF-UHFFFAOYSA-N
-rxn:5:193382:223286:223142,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCNC4)nc3)c2)c1,XSNDZVRJIXAZFJ-UHFFFAOYSA-N
-rxn:5:193382:223312:225943,O=C(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,AICOGECTMFWPCD-UHFFFAOYSA-N
-rxn:5:193382:223389:226366,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCCC3)c2)c1,UYYFTXSZCBCXPV-UHFFFAOYSA-N
-rxn:5:193382:225636:223135,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccnc4C4CCCNC4)c3)ccn2)CC1,TVTJYTCQGQQVDA-UHFFFAOYSA-N
-rxn:5:193382:225636:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,WMJXRTCRKLOLFL-UHFFFAOYSA-N
-rxn:5:193382:225638:225868,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(N5CCOCC5)c(F)c4)c3)cn2)CC1,KHIGTEMXQWVFQW-UHFFFAOYSA-N
-rxn:5:193382:225640:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccnc(N3CCCCC3C)c2)ccc1S(=O)(=O)N1CCOCC1,JCAJPUPSEBFCKR-UHFFFAOYSA-N
-rxn:5:193382:225640:223064,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)ccn1,MYNTYDVTAFAZIU-UHFFFAOYSA-N
-rxn:5:193382:225657:225976,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3F)c2)ccc1N1CCOCC1,GCQUYYRPKLSLLU-UHFFFAOYSA-N
-rxn:5:193382:225805:223133,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3N3CCNCC3)c2)s1)N1CCOCC1,LHBGVXVRBFVLGR-UHFFFAOYSA-N
-rxn:5:193382:225925:222960,Cc1cc(-c2cc(-c3cc(S(=O)(=O)N(C)C)ccc3C)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,HSDPRHMNUDBUJB-UHFFFAOYSA-N
-rxn:5:193382:226330:226583,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)s1)N1CCCC1,CPUMSEOZTDESQR-UHFFFAOYSA-N
-rxn:5:193382:226413:227656,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1cc(N2CCOCC2)cs1)N1CCOCC1,IFRPSLAZFXTFQN-UHFFFAOYSA-N
-rxn:5:193382:226685:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,SOLTZNBXVRWEOE-UHFFFAOYSA-N
-rxn:5:193382:226898:223138,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCNCC3)c2)c1,WQNHKPNBNLNXTP-UHFFFAOYSA-N
-rxn:5:193382:227517:225805,CC(c1ccc(-c2cc(-c3ccc(OC4COC4)nc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,ITMACSARWPRQGI-UHFFFAOYSA-N
-rxn:5:193382:227962:225638,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCC(C)CC4)nc3)c2)cc(C2CC2)n1,KTJJRDJQAQQPRJ-UHFFFAOYSA-N
-rxn:5:193463:226580:226062,CC(C)c1cc(-c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2CN2CCC(=O)CC2)cc(C(C)C)c1,CVEQADMABTXDML-UHFFFAOYSA-N
-rxn:5:193506:223006:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,KRUOVKBATWCADL-UHFFFAOYSA-N
-rxn:5:193506:223007:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,XUXNEWVRNNQQMA-UHFFFAOYSA-N
-rxn:5:193506:223011:223138,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNCC3)c2)c1,VVACMXLBJVPNDB-UHFFFAOYSA-N
-rxn:5:193506:223132:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2ccc(N3CCCCC3)nc2)CC1,BNDJCWJABZXZSG-UHFFFAOYSA-N
-rxn:5:193506:223132:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,BPCJWLCOIULVTJ-UHFFFAOYSA-N
-rxn:5:193506:223133:223252,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCNCC3)cc2-c2cc(F)c3c(c2)NCCO3)CC1,GVCVUVOZYNLFPZ-UHFFFAOYSA-N
-rxn:5:193506:223133:226440,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCNCC3)cc2-c2cc(F)nc(C3CCCC3)c2)CC1,QFOOVNLKFGUTQG-UHFFFAOYSA-N
-rxn:5:193506:223134:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cnccc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,GMQWHZZBQFMPSE-UHFFFAOYSA-N
-rxn:5:193506:223138:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,YDPAFECYPGWCKJ-UHFFFAOYSA-N
-rxn:5:193506:223141:223252,O=C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)cc2-c2cc(F)c3c(c2)NCCO3)CC1,RZYJOKVGJDOIQN-UHFFFAOYSA-N
-rxn:5:193506:223148:222959,Cc1cc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,QLJXEHAKNOJKLW-UHFFFAOYSA-N
-rxn:5:193506:223148:225805,CC(c1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,QZJBREPZJWPLAS-UHFFFAOYSA-N
-rxn:5:193506:223203:226395,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4(O)CCC4)c3)cc2-c2cncc(N3CCCCC3)c2)CC1,PISCFEZOQOPQQO-UHFFFAOYSA-N
-rxn:5:193506:223242:227505,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNC4)c3)cc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,UQSMTXKLBOLANB-CXUHLZMHSA-N
-rxn:5:193506:223252:226413,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cccc(N3CCOCC3)c2)CC1,KEUHZWGKRCVIHP-UHFFFAOYSA-N
-rxn:5:193506:223252:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cc(N3CCCC3)cs2)CC1,OOFLVTZTOSVDDH-UHFFFAOYSA-N
-rxn:5:193506:223287:227438,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCOC4)c3)c2)cc1,APVUQARJVRJOPK-UHFFFAOYSA-N
-rxn:5:193506:223311:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CNC4)c3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,KHOZATXVKXMVHL-UHFFFAOYSA-N
-rxn:5:193506:223312:222959,Cc1cc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,MVPKFDBXUCLZAU-UHFFFAOYSA-N
-rxn:5:193506:223312:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CNC4)cc3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,UPPDUSKHLHWBNC-UHFFFAOYSA-N
-rxn:5:193506:223313:226441,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(O)CC4)cc3)cc2-c2ccc(N3CCCC3)cc2F)CC1,ZULYKOGGKYMZFC-UHFFFAOYSA-N
-rxn:5:193506:223340:226437,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)NCCO4)cc2-c2cc(C3CCCC3)ncc2F)CC1,RRJVBZATXDMOKF-UHFFFAOYSA-N
-rxn:5:193506:223340:226438,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)NCCO4)cc2-c2cnc(C3CCCC3)cc2F)CC1,WUNYPIACFVQQRF-UHFFFAOYSA-N
-rxn:5:193506:223340:226440,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)NCCO4)cc2-c2cc(F)nc(C3CCCC3)c2)CC1,OFXJNAUHUNGTIY-UHFFFAOYSA-N
-rxn:5:193506:223342:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCN4)cc2-c2ccnc(N3CCCCC3)c2)CC1,RDNWMMIQSHDOAN-UHFFFAOYSA-N
-rxn:5:193506:223345:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3NC(=O)C4)cc2-c2ccnc(N3CCCCC3)c2)CC1,IDSYQGGLIKXATH-UHFFFAOYSA-N
-rxn:5:193506:223378:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)NCCO4)cc2-c2ccnc(N3CCCCC3)c2)CC1,HPMFSPLOUTXNNL-UHFFFAOYSA-N
-rxn:5:193506:225666:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,ATPZRWQZIGLGBM-UHFFFAOYSA-N
-rxn:5:193506:225666:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2csc(C3CC3)n2)CC1,JBAMLCJUCKBHSK-UHFFFAOYSA-N
-rxn:5:193506:225666:229080,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2cnc(C3CC3)s2)CC1,DANYOQBMAXCINF-UHFFFAOYSA-N
-rxn:5:193506:225805:223148,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1)N1CCOCC1,KVFSTBZDEUVHED-UHFFFAOYSA-N
-rxn:5:193506:225833:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccnc(C3CC3)c2)CC1,BVMCJHJYVSWRIV-UHFFFAOYSA-N
-rxn:5:193506:226330:226452,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4OCCCO4)cc3)c2)s1)N1CCCC1,LYDGCVZQMMNYRJ-UHFFFAOYSA-N
-rxn:5:193506:226364:228012,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2cccc(F)c2C2CC2)CC1,FBCGHHKEHXQLAM-UHFFFAOYSA-N
-rxn:5:193506:226366:227980,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccc(C3CC3)cc2F)CC1,SDZXTBSWNFSBJE-UHFFFAOYSA-N
-rxn:5:193506:226366:227997,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cc(C3CC3)ccc2F)CC1,SFJJWLNCWSBVJJ-UHFFFAOYSA-N
-rxn:5:193506:226366:228013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccc(F)c(C3CC3)c2)CC1,SKNNPSTUNDPGJJ-UHFFFAOYSA-N
-rxn:5:193506:226414:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccnc(N3CCCC3)c2)CC1,VMWMPNGEZQEYPA-UHFFFAOYSA-N
-rxn:5:193506:226440:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,IAKCBWGEPUPLLH-UHFFFAOYSA-N
-rxn:5:193506:226658:228629,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(C3CCC3)s2)CC1,YSKZWNJMTYULIA-UHFFFAOYSA-N
-rxn:5:193506:227080:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCC4)c3)cc2-c2ccnc(N3CCCC3)c2)CC1,XVYSFTZPJSEROP-UHFFFAOYSA-N
-rxn:5:193506:227387:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ZHINKLFPUAEFJM-UHFFFAOYSA-N
-rxn:5:193506:227387:227080,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cccc(N3CCCC3)c2)CC1,HHAJYSKDWMYRML-UHFFFAOYSA-N
-rxn:5:193506:227387:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cccnc2N2CCCC2)CC1,TWXMLDWLXPTOTE-UHFFFAOYSA-N
-rxn:5:193506:227387:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(N3CCCC3)s2)CC1,BLGFSEQGYDGYBA-UHFFFAOYSA-N
-rxn:5:193506:227416:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccc(N3CCCC3)s2)CC1,IYMVINJHWBCTOR-UHFFFAOYSA-N
-rxn:5:193506:227416:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2cc(N3CCCC3)cs2)CC1,YPWPHBMIBUCSJQ-UHFFFAOYSA-N
-rxn:5:193506:227419:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3F)cc2-c2cc(N3CCCC3)cs2)CC1,PFACBQLEKILHDA-UHFFFAOYSA-N
-rxn:5:193506:227867:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2ccnc(N3CCCCC3)c2)CC1,RZCPDLBHAWRTIJ-UHFFFAOYSA-N
-rxn:5:193506:227868:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCC4)cc2-c2ccnc(N3CCCCC3)c2)CC1,BTBCEGALVBSWTJ-UHFFFAOYSA-N
-rxn:5:193506:227875:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCCO4)cc2-c2ccnc(N3CCCCC3)c2)CC1,QJDGIYCWKUOADZ-UHFFFAOYSA-N
-rxn:5:193506:227980:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,LLLXGIFMPTVPQZ-UHFFFAOYSA-N
-rxn:5:193506:228012:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,SFMHIOOSZSZAHN-UHFFFAOYSA-N
-rxn:5:193506:228012:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2cc(N3CCCCC3)cs2)CC1,HRDVOHCBZILHNA-UHFFFAOYSA-N
-rxn:5:193506:228013:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C4CC4)c3)cc2-c2ccnc(N3CCCCC3)c2)CC1,MEBZEDMINWBWAK-UHFFFAOYSA-N
-rxn:5:193506:228018:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CC4)c3)cc2-c2ccc(N3CCCCC3)s2)CC1,CFSCCRSAFPIHTK-UHFFFAOYSA-N
-rxn:5:193506:228066:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCO4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,RCTLTSVTQJKYGA-UHFFFAOYSA-N
-rxn:5:193506:228078:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC4=O)cc2-c2ccnc(N3CCCCC3)c2F)CC1,OUCPHDLWOAJUNN-UHFFFAOYSA-N
-rxn:5:193506:228078:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC4=O)cc2-c2cnc(N3CCCC3)cc2F)CC1,ZLYWYRZYVBAQOH-UHFFFAOYSA-N
-rxn:5:193506:228079:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2cnc(N3CCCCC3)cc2F)CC1,DISXDZJSSRQDOD-UHFFFAOYSA-N
-rxn:5:193506:228079:226664,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2cc(N3CCCC3)ncc2F)CC1,MQNXSPFQLSMBLZ-UHFFFAOYSA-N
-rxn:5:193506:228210:226664,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2cc(N3CCCC3)ncc2F)CC1,IVROORHGKHKXKY-UHFFFAOYSA-N
-rxn:5:193506:228210:227375,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2ccc(N3CCCC3)nc2)CC1,QCBQYNVQUDYNJP-UHFFFAOYSA-N
-rxn:5:193506:228221:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CC4)c3)cc2-c2ccc(N3CCCCC3)s2)CC1,UGHAAQVCGZTWRQ-UHFFFAOYSA-N
-rxn:5:193506:228223:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,CHWAVJXHOYPIIR-UHFFFAOYSA-N
-rxn:5:193506:228236:226164,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCCCC3)cc2)CC1,ZMKUHBRGVARKGW-UHFFFAOYSA-N
-rxn:5:193506:228236:226395,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2cncc(N3CCCCC3)c2)CC1,JFWWREIBIYOJNR-UHFFFAOYSA-N
-rxn:5:193506:228292:223006,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2ccc(F)c(C3CCNCC3)c2)CC1,VPMWYBGOHXLNSC-UHFFFAOYSA-N
-rxn:5:193506:228292:226422,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)ccc2N2CCCC2)CC1,DVBUFNNWYZZDSF-UHFFFAOYSA-N
-rxn:5:193506:228478:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3cncc(C(F)(F)F)c3)cc2-c2cnc(N3CCSCC3)nc2)CC1,QSFBQSZMWFYDDL-UHFFFAOYSA-N
-rxn:5:193506:228529:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,FGZQEMHUVKXCON-UHFFFAOYSA-N
-rxn:5:193506:228530:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2-c2cnc(N3CCCCC3)cc2F)CC1,NCFWHWVUNHZYHX-UHFFFAOYSA-N
-rxn:5:193752:223173:226395,CC1CCCN(C(=O)c2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)c(-c3cncc(N4CCCCC4)c3)c2)C1,OFDVPHJPMOPSHY-UHFFFAOYSA-N
-rxn:5:193756:225592:225600,CC1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1cccnc1OC1CCCCC1,HYQICVOLHFFELD-UHFFFAOYSA-N
-rxn:5:193756:226182:226747,CCc1ncc(-c2cc(-c3cccnc3C3CCCCC3)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,WWVOGSAGPAJVPB-UHFFFAOYSA-N
-rxn:5:193756:226611:225806,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(OC3CCCC3)cc2F)c1,PKPXDPQUFRGEIS-UHFFFAOYSA-N
-rxn:5:193756:226745:225640,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(N3CCCCC3C)c2)c1,DLLDQXQFLCSTMI-UHFFFAOYSA-N
-rxn:5:193756:226746:226437,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C3CCCC3)ncc2F)c1,IODMFYBRWAVIBD-UHFFFAOYSA-N
-rxn:5:193756:226842:227702,COC(=O)c1cnc(F)c(-c2cc(-c3cncc(C(=O)C(F)(F)F)c3)ccc2C(=O)N2CCCCC2C)c1,AOPVBQOUCWPOHY-UHFFFAOYSA-N
-rxn:5:193756:227701:226366,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4)c3)c2)c(F)cn1,IBCBBOOIULDQFT-UHFFFAOYSA-N
-rxn:5:193867:227613:223283,CNc1ccc(-c2cc(-c3cnn(C4CCOCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1[N+](=O)[O-],UAFVCAZWOINPSN-UHFFFAOYSA-N
-rxn:5:193868:228177:225940,COCc1ccc(F)cc1-c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)c(C(=O)N2CC(C)OC(C)C2)c1,GRZZMGKPQPTUAO-UHFFFAOYSA-N
-rxn:5:193869:223311:223148,Cc1cc(-c2cccc(C3CNC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,JVRYRRITCVAEEH-UHFFFAOYSA-N
-rxn:5:193869:223313:226395,Cc1cc(-c2ccc(C3(O)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,WSVJGDMJVLRNBT-UHFFFAOYSA-N
-rxn:5:193869:223340:226412,Cc1cc(-c2ccc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,YPBLSWGEZRNOAP-UHFFFAOYSA-N
-rxn:5:193869:223342:226366,Cc1cc(-c2ccc3c(c2)OCCN3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MRCNRDAMGJNIMV-UHFFFAOYSA-N
-rxn:5:193869:223342:226412,Cc1cc(-c2ccc3c(c2)OCCN3)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,MXDGLXOJVPMQMY-UHFFFAOYSA-N
-rxn:5:193869:223346:226364,Cc1cc(-c2ccc3c(c2)CNC3=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCC2)nc1,BUWDIRFASBDVKT-UHFFFAOYSA-N
-rxn:5:193869:223346:226366,Cc1cc(-c2ccc3c(c2)CNC3=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IHOAXUZLPFGRJF-UHFFFAOYSA-N
-rxn:5:193869:223347:226366,Cc1cc(-c2cccc3c2CNC3=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,CFSUTUCZQKCGQS-UHFFFAOYSA-N
-rxn:5:193869:223378:226432,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CCCC2)nc1F,DJUQHUNUEVFFMH-UHFFFAOYSA-N
-rxn:5:193869:223378:226437,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCCC2)ncc1F,DINAGUQXAQUINA-UHFFFAOYSA-N
-rxn:5:193869:227438:223147,Cc1cc(-c2ccnc(C3CCOC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CNCCO2)cc1,GQAJGZABAPPMNS-UHFFFAOYSA-N
-rxn:5:193870:223147:227449,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCOCC3)s2)cc1-c1ccc(C2CNCCO2)cc1,RLDWVKRICHTUBJ-UHFFFAOYSA-N
-rxn:5:193870:223313:226466,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCC(=O)N3C)cc1-c1ccc(C2(O)CC2)cc1,XGCQCGDQKXBJEA-UHFFFAOYSA-N
-rxn:5:193870:223341:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc2c(c1)CC(=O)N2,XLBDOLHTDGMBTF-UHFFFAOYSA-N
-rxn:5:193870:223342:226395,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCCC3)c2)cc1-c1ccc2c(c1)OCCN2,UYLYEPHUGPVTID-UHFFFAOYSA-N
-rxn:5:193870:223344:226371,Cc1cc(N2CCCC2)ncc1-c1cc(-c2cccc3c2CC(=O)N3)c(C)cc1S(=O)(=O)N1CCCCC1,GFMWJFWFYQUSAL-UHFFFAOYSA-N
-rxn:5:193870:223345:226431,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)c(F)c2)cc1-c1cccc2c1NC(=O)C2,YCHYVLQDLWAZQT-UHFFFAOYSA-N
-rxn:5:193870:223348:226412,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCC3)c2)cc1-c1ccc2c(c1)C(=O)NC2,REUQIJMYPPJZKL-UHFFFAOYSA-N
-rxn:5:193870:223349:226420,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(N3CCCC3)c2)cc1-c1cccc2c1C(=O)NC2,BQICLLOHRCFTPK-UHFFFAOYSA-N
-rxn:5:193870:223377:226420,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(N3CCCC3)c2)cc1-c1cnc2c(c1)CC(=O)N2,HWLVGDIPCCTRCT-UHFFFAOYSA-N
-rxn:5:193870:225515:226395,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCCC3)c2)cc1-c1cccc2c1OCC(C)(C)CO2,PYOKMWLJVQFJPF-UHFFFAOYSA-N
-rxn:5:193870:227710:227626,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCOC3)nc2)cc1-c1ccc(OS(C)(=O)=O)cc1,BUWIGZRFQYPBOX-UHFFFAOYSA-N
-rxn:5:193870:228584:225461,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)cc2C)cc1-c1ccnc(C2CC2)c1,LNCCPPOKLIABBV-UHFFFAOYSA-N
-rxn:5:193967:226033:228476,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccnc3C(F)(F)F)c2)cc(C(F)(F)F)c1F,DFEYADYSXJDSIY-UHFFFAOYSA-N
-rxn:5:193967:227540:225925,COc1c(F)cc(SC)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cc(S(=O)(=O)N(C)C)ccc2C)c1,PBMDBBTVLLURPZ-UHFFFAOYSA-N
-rxn:5:193972:222420:223146,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C2CNCCO2)c1,XHIYFUZLEAPMEX-UHFFFAOYSA-N
-rxn:5:193972:223342:226412,Cc1cc(-c2ccc3c(c2)OCCN3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,MZXZHUCUXRRTLZ-UHFFFAOYSA-N
-rxn:5:193972:223345:226364,Cc1cc(-c2cccc3c2NC(=O)C3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,VREVFJDLUNBQJU-UHFFFAOYSA-N
-rxn:5:193972:223346:226366,Cc1cc(-c2ccc3c(c2)CNC3=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,KSDAKEVIRHLVSS-UHFFFAOYSA-N
-rxn:5:193972:223348:226366,Cc1cc(-c2ccc3c(c2)C(=O)NC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,VXBJQUVAPYJNSQ-UHFFFAOYSA-N
-rxn:5:193972:223378:226422,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)ccc1N1CCCC1,RQKQHNXQHAECIO-UHFFFAOYSA-N
-rxn:5:193972:225636:229055,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C#N)c1,XDNUPUVRWDFFSQ-UHFFFAOYSA-N
-rxn:5:193972:226366:228518,CC#Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1,QYPRSVWTVPYMJL-UHFFFAOYSA-N
-rxn:5:193972:227547:228234,Cc1cc(-c2cc(C)c(-c3c(C4CC4)ccnc3F)cc2S(=O)(=O)N2CCCCCC2)ccc1OC(F)F,LIQRGIYSRQLKFI-UHFFFAOYSA-N
-rxn:5:193972:228987:225636,Cc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,ZMRALHXWCDRJHC-UHFFFAOYSA-N
-rxn:5:193972:229055:225636,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,FEEZDNBUEBHFBF-UHFFFAOYSA-N
-rxn:5:194058:223056:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCCCC1,MPQAVBZEDDLOJN-UHFFFAOYSA-M
-rxn:5:194058:225437:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(CN3CCCCC3)c2)s1)N1CCCCC1,KQSOFBZTWXERJW-UHFFFAOYSA-M
-rxn:5:194058:225455:225607,Cc1ccc(N2CCCCC2)cc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCCCC2)s1,SSKPYRXQCFUZNI-UHFFFAOYSA-M
-rxn:5:194058:225607:225455,Cc1ccc(N2CCCCC2)cc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCCCC2)s1,YPMATKSOHCJKAV-UHFFFAOYSA-M
-rxn:5:194058:225607:225461,Cc1cc(N2CCCCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCCCC2)s1,ILVNGTZDKHKFCF-UHFFFAOYSA-M
-rxn:5:194058:225607:225470,CC1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)cc2)CC1,JZPQXOYGDQLSQX-UHFFFAOYSA-M
-rxn:5:194058:225633:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCCC3)nc2)s1)N1CCCCC1,DFDHOGYWTDJSHW-UHFFFAOYSA-M
-rxn:5:194767:222987:227298,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cc(F)ccc2CN(C)C)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,JPNIHHISDQEUKP-UHFFFAOYSA-N
-rxn:5:194767:228099:223002,CCN(C)c1cncc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,ABOJLRIDTCAIDG-UHFFFAOYSA-N
-rxn:5:194791:226466:227722,CN1C(=O)COc2cc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cccc(SC(F)(F)F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)ccc21,VGSATCVDRZSUHG-UHFFFAOYSA-N
-rxn:5:195673:225805:225607,CC(c1ccc(-c2ccc(S(N)(=O)=O)c(-c3ccc(C(C)N4CCCCC4)s3)c2)s1)N1CCOCC1,RFWBOGHJSYJQKP-UHFFFAOYSA-N
-rxn:5:196198:225833:225926,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,JPABCWCQKRXVRX-UHFFFAOYSA-N
-rxn:5:196198:226134:225805,Cc1c(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc(C(C)N3CCOCC3)s2)cc(C#N)cc1C1CC1,KYQCRXRCNZCOGI-UHFFFAOYSA-N
-rxn:5:196408:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1C1=NOCCO1,JYRLUQBFDSSJLP-UHFFFAOYSA-N
-rxn:5:196408:225986:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,FVXDBCZOGMVLID-UHFFFAOYSA-N
-rxn:5:196408:226654:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2csc(N3CCC(C)CC3)n2)c1,AVOCWTAPASVUIZ-UHFFFAOYSA-N
-rxn:5:196620:225986:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,UDJNIICGIILVPA-UHFFFAOYSA-N
-rxn:5:196620:225986:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,ADKLNQYZXQBDRM-UHFFFAOYSA-N
-rxn:5:196858:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cnn(CC2OCCO2)c1,SZNPMUKXEIVJIK-UHFFFAOYSA-N
-rxn:5:196858:226686:222981,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccnc(NC2CCCCC2)c1,YTUKZPNOOAGEFP-UHFFFAOYSA-N
-rxn:5:196916:225986:226172,Cc1ccc(N2CCCC2)cc1-c1ccc(N2CCCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,XFTPBUWSGODMPO-UHFFFAOYSA-N
-rxn:5:196916:225986:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,ZWDXEUFROOKHSM-UHFFFAOYSA-N
-rxn:5:196979:225638:225985,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)cn2)CC1,CLFQLDRVONUDQZ-UHFFFAOYSA-N
-rxn:5:197876:223113:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,DVLUWHKTNVSCTO-UHFFFAOYSA-N
-rxn:5:197876:225671:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NKSDJSXTNODDCX-UHFFFAOYSA-N
-rxn:5:197876:226191:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PWJZEQBNVPWHPV-UHFFFAOYSA-N
-rxn:5:197876:226432:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LQUQOXXLHNYUBY-UHFFFAOYSA-N
-rxn:5:197876:226437:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CJHDTZXCRKSAAC-UHFFFAOYSA-N
-rxn:5:197876:228219:225450,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,NGMGAXCOOVXLLG-UHFFFAOYSA-N
-rxn:5:227898:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cncc(CC(C)C)c2)CCC(=O)CC1,ITGZVKMRBTZNBK-UHFFFAOYSA-N
-rxn:5:227909:178295:228467,CCC(C)c1cc(-c2ccc(-c3cc(C(=O)OC)sc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,TWIQPBRBZHDFGT-UHFFFAOYSA-N
-rxn:5:227910:178295:227316,CCC(C)c1ccc(-c2ccc(-c3cc(F)nc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,DSWUXGJJGKHBTC-UHFFFAOYSA-N
-rxn:5:227913:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(OC(C)C)cc2)CCC(=O)CC1,BNXCWLRJQHBWOJ-UHFFFAOYSA-N
-rxn:5:227923:178295:226920,CCOc1ccc(C)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,GWFALJCOCNOLIX-UHFFFAOYSA-N
-rxn:5:227927:178295:226926,CCC(=O)c1cccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QBVMMCXYSUXBTF-UHFFFAOYSA-N
-rxn:5:227929:178295:226926,CCOc1cc(C)ccc1-c1ccc(-c2ccc(C(C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,IAVAHJHDABCSMZ-UHFFFAOYSA-N
-rxn:5:227932:178295:227288,COCc1ccc(C)c(-c2ccc(-c3ccccc3C(=O)N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,COJZEEMWFKRJHY-UHFFFAOYSA-N
-rxn:5:227942:178295:227209,CCc1ccc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,HICZZQYTLRHTBR-UHFFFAOYSA-N
-rxn:5:227945:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N(C)C)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KTORJBMDBNRFFY-UHFFFAOYSA-N
-rxn:5:227978:178295:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2cc(C(C)C)ccc2F)CCC(=O)CC1,AHDSZAULLZNHDJ-UHFFFAOYSA-N
-rxn:5:227983:178295:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2ccccc2[Si](C)(C)C)CCC(=O)CC1,OPMDOHROXLXZFZ-UHFFFAOYSA-N
-rxn:5:227984:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccc(OC)c(C)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,DXUKDAZWTUQRDD-UHFFFAOYSA-N
-rxn:5:228000:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C)c(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,SHMJFCLKMVKJEJ-UHFFFAOYSA-N
-rxn:5:228000:178295:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,SIUBZPTYMSRGDS-UHFFFAOYSA-N
-rxn:4:173356:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CC(C(=O)OC)C(=O)OC)cc2)cc1,TVUYCCVOGXDLRN-UHFFFAOYSA-N
-rxn:4:173525:223888,COC(=O)C(CC(=O)c1cccc(C)c1)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,FCEOAJRAUPPXEU-UHFFFAOYSA-N
-rxn:4:173593:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1,HPXYUDIGILKDIX-UHFFFAOYSA-N
-rxn:4:173596:222972,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1NC(=O)C(C)(C)C,RYBHMYGPLPJRNB-UHFFFAOYSA-N
-rxn:4:173603:224424,CCCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(C)C(=O)OC)cc2)CC1,LLCQUQITUMXPSZ-UHFFFAOYSA-N
-rxn:4:173603:224874,COC(=O)c1c(C)oc2cc(-c3cccc(COC4CCCCC4)c3)c(OC(C)C(=O)OC)cc12,SFLGVACQRQNHLE-UHFFFAOYSA-N
-rxn:4:173611:225264,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(=O)OC)c(C(=O)OC)c3)cc1)C2=O,AURGHASWFRASLH-UHFFFAOYSA-N
-rxn:4:173612:224845,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c1)C2=O,KCKOVBCUGKKEMG-UHFFFAOYSA-N
-rxn:4:173636:224853,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C4CCC(C)(C)CC4)cc3)ccc1OC)C2=O,ZKELRNBYGGEMPD-UHFFFAOYSA-N
-rxn:4:173641:226005,Cc1oc2cc(-c3ccc(OCC(F)(F)F)c(F)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,ZSTZPZWVQXZUBI-UHFFFAOYSA-N
-rxn:4:173656:225568,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(C)(C)C(=O)OC)cc3)cc1)C2=O,CMSDQXQHHCFICJ-UHFFFAOYSA-N
-rxn:4:173683:222724,COC(=O)Cc1c(C)c2ccc(OCc3cccc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)c3)c(C)c2oc1=O,NQQPZJYYFNATML-UHFFFAOYSA-N
-rxn:4:173704:224853,COc1cccc2c(-c3ccc(C4CCC(C)(C)CC4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,MYXLQMVTJMDGRT-UHFFFAOYSA-N
-rxn:4:173723:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,HWTXPJZGEWNLJM-UHFFFAOYSA-N
-rxn:4:173802:225593,O=S(=O)(OC(c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,IEUULARUZYOGCN-UHFFFAOYSA-N
-rxn:4:173805:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc(OCC(F)(F)C(F)(F)F)ccc2C(F)(F)F)c1,DMZQOTBOUJPQRE-UHFFFAOYSA-N
-rxn:4:173806:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F,ZYVUNEYAFWYGSE-UHFFFAOYSA-N
-rxn:4:173806:226493,COCCOc1ccc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2C(F)(F)F)c(Cl)c1,SKJBITLPRFVDMB-UHFFFAOYSA-N
-rxn:4:173809:226128,O=C(CC1CC1)c1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1,QEUKJJUCCIAWOD-UHFFFAOYSA-N
-rxn:4:173810:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c3)c(F)c2)CC1,SXYJWAQJAREIKV-SHTZXODSSA-N
-rxn:4:173889:223559,CCCC(=O)CSc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,XAGJKBUWPATGAL-UHFFFAOYSA-N
-rxn:4:173905:223929,COC(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1COC(C)=O,JRVKANFOAONVSN-UHFFFAOYSA-N
-rxn:4:174406:225183,COC(=O)C1(c2ccc(-c3ccc(OC4CCCCC4)nc3F)cc2)CC(OC)(OC)C1,VIPANVHYHCGMDY-UHFFFAOYSA-N
-rxn:4:174436:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)c1,PYUZMRIKMHIJNS-UHFFFAOYSA-N
-rxn:4:174491:225231,CC1CCCCN1c1cc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cnc1Cl,WIBJQDYVBIVOKR-UHFFFAOYSA-N
-rxn:4:174518:222887,CC(C)[Si](Oc1ccc(F)c(-c2cccc(C(=O)N3CCNCC3)c2)c1)(C(C)C)C(C)C,HPFCJUUGLBRFQU-UHFFFAOYSA-N
-rxn:4:174528:223559,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,BONMIGOENUODJQ-UHFFFAOYSA-N
-rxn:4:174603:225080,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)CCC(C(=O)OC)O4)cc1)C2=O,PEVTZNKVKAAEBF-UHFFFAOYSA-N
-rxn:4:174604:222754,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(OC)ccc1C(=O)NC(C)(C)C)C2=O,SRXZAOCKRADHDP-UHFFFAOYSA-N
-rxn:4:174656:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c1,OTAJYFNZZWLRIZ-UHFFFAOYSA-N
-rxn:4:174753:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC(F)(F)F)ccc3C(F)(F)F)cc2)CC1,RJQDFLMXIFUABK-IYARVYRRSA-N
-rxn:4:175361:223976,CC(C)OCc1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c(C(F)(F)F)c1,RHJYJSNQSRJQCF-UHFFFAOYSA-N
-rxn:4:175490:223559,CCOC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,RTXKNVKZUATJHB-UHFFFAOYSA-N
-rxn:4:175739:222706,Fc1cc(-c2cc(C3CCNCC3)ccc2C(F)(F)F)c(F)cc1OCCC1OCCCO1,LXNDYEJVPZUIEO-UHFFFAOYSA-N
-rxn:4:175940:224656,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2ccc(OC)c(OC3CCCC3)c2F)c1,FUDVOXDAXXRTDG-UHFFFAOYSA-N
-rxn:4:176011:224018,O=C(Oc1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1)C1=C(c2ccccc2)SCCO1,HFIBNXXPDQBDQE-UHFFFAOYSA-N
-rxn:4:176104:223492,CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1OCC1CCCCC1,HBOFARDZJMHWEO-UHFFFAOYSA-N
-rxn:4:176294:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)c1,IVGVINRIEFAGGX-UHFFFAOYSA-N
-rxn:4:176316:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)c1,CUZOLNCFTQJOPB-UHFFFAOYSA-N
-rxn:4:176322:227326,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(C(=O)OC)ccc2C)C(C)(C)CC1(CC)CC,FDMNVVXMGUTOSU-UHFFFAOYSA-N
-rxn:4:176512:223834,Cc1cc(-c2ccc(OC(F)=CC(F)(F)F)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DLPJCWYPIXAUEU-UHFFFAOYSA-N
-rxn:4:177225:223697,CC(C)OC(=O)c1c(F)cc(Cl)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,UVQUSDSEAFDOOT-UHFFFAOYSA-N
-rxn:4:177232:223748,CCS(=O)(=O)c1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(C(F)F)c1,FEHCMNDBCPXHHB-UHFFFAOYSA-N
-rxn:4:178175:223583,COC(=O)c1ccc2c(-c3ccc(C4(C(=O)OC)CCCC4)cc3)cn(C(=O)OC(C)(C)C)c2c1,XQEFXSUDECDVRZ-UHFFFAOYSA-N
-rxn:4:178254:222709,CC(C)(C)NC(=O)c1cc(-c2cccc(S(=O)(=O)CC3CCOCC3)c2)cc([N+](=O)[O-])c1,BKSLANOMKSGJNG-UHFFFAOYSA-N
-rxn:4:178288:223775,COC(=O)C1(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)cc2)CCC(=O)CC1,PCXJWDRIDDEDAW-UHFFFAOYSA-N
-rxn:4:178292:224835,COC(=O)C1(c2cccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)c2)CCC(=O)CC1,RWKIIPMYNRZIIZ-UHFFFAOYSA-N
-rxn:4:178296:224061,CCCC1CCC(c2ccc(-c3cc(C4(C(=O)OC)CCC(=O)CC4)ccc3F)c(F)c2)CC1,PJVYDVCEKZWXJV-UHFFFAOYSA-N
-rxn:4:178325:222612,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1F,DFPRVVQGEOVJNV-UHFFFAOYSA-N
-rxn:4:178327:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC)CCCCC4)cc3)cc2)CC1,MFJXTUFUSWBEGE-RQNOJGIXSA-N
-rxn:4:178381:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc2C)c1,WRTZNCUSUGHUOS-UHFFFAOYSA-N
-rxn:4:178384:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NPVVYTKRUOJQHL-UHFFFAOYSA-N
-rxn:4:178384:226112,Cc1cc(OCC2CC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SZGQWMPHKANMDD-UHFFFAOYSA-N
-rxn:4:178384:228827,Cc1cc(F)c(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,LRMOJXQYILFFCJ-UHFFFAOYSA-N
-rxn:4:178597:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,DERVBEGBNLITEA-UHFFFAOYSA-N
-rxn:4:178597:227568,COc1cc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(OC)c1,RXWCRZKXFNAUFX-UHFFFAOYSA-N
-rxn:4:178597:228911,COc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)n1,TUOLPSDMEUROLA-UHFFFAOYSA-N
-rxn:4:179293:223728,CCCCCC1CCC(c2ccc(-c3c(C)ccc(F)c3C(=O)C(F)(F)F)c(F)c2)CC1,BSLKXFYRJLPDOO-UHFFFAOYSA-N
-rxn:4:179638:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CC4)c(C(F)(F)F)c3)cc2Cl)CC1,GQHNZZSHIBQRGL-UHFFFAOYSA-N
-rxn:4:180028:223712,COc1ccc(-c2cc(F)c(C3OCCO3)c(OC)c2)cc1C12CC3CC(CC(C3)C1)C2,MIHMLLYDHHQDEF-UHFFFAOYSA-N
-rxn:4:180499:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CC4)cc3C3CCCOC3)cc2)CC1,BLKYNKNUBMFAJL-UHFFFAOYSA-N
-rxn:4:180680:223712,COC(=O)C1SCc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2C1=O,BCAAUESNSWJEJP-UHFFFAOYSA-N
-rxn:4:180792:224306,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc1C2=O,UBNNTYXFHFQOIK-UHFFFAOYSA-N
-rxn:4:180815:224161,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1C12CC3CC(CC(C3)C1)C2,OOCKBWRRPPOIEC-UHFFFAOYSA-N
-rxn:4:180855:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc3c(c1)C1(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)n2C(=O)OC(C)(C)C,BFXIPVOKJUMSEB-UHFFFAOYSA-N
-rxn:4:181359:223526,Cc1cc(C(F)F)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1F,MGZMJSWWOQJBNT-UHFFFAOYSA-N
-rxn:4:182224:223650,CCC1Oc2c(F)cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O,YMFCEQNPNLQAGN-UHFFFAOYSA-N
-rxn:4:182376:223712,COc1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc1C12CC3CC(CC(C3)C1)C2,CMWIWMDFZTVLSQ-DXIONUHESA-N
-rxn:4:183274:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,JWIJQCNHRJWGES-UHFFFAOYSA-N
-rxn:4:183524:224941,CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1-c1ccc(CCN2CCOCC2)cc1,APZZCPWEBIZTHU-UHFFFAOYSA-N
-rxn:4:183618:222545,CCOC(OCC)c1cc(OC)ncc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,YHUKNMSHSJCJBP-UHFFFAOYSA-N
-rxn:4:183654:223698,COC(OC)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc(C(OC)OC)n1,IEKRWXZTHPQUCN-UHFFFAOYSA-N
-rxn:4:183746:223658,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)C1,YGYLPCSFLNUMOA-UHFFFAOYSA-N
-rxn:4:183750:223825,FC(F)(F)Oc1ccc(OCCN2CCOCC2)c(-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)c1,BMGTZVVHEYBAIP-UHFFFAOYSA-N
-rxn:4:183784:224566,CCN(CC)C(=O)COc1cc(C)c(-c2ccc(C3(C(=O)OC)CCCC3)cc2)c(C)c1,CZSHGIHRVFCOSD-UHFFFAOYSA-N
-rxn:4:183803:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCCCC1,IVMMITLFDRVNSU-UHFFFAOYSA-N
-rxn:4:183808:225189,O=C1CCC(=O)N1Cc1cccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,GZWVBLJUJIYOIX-UHFFFAOYSA-N
-rxn:4:183871:223699,CC(C)(C)OC(=O)N1CC(COc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)C1,HUPUZENMBGYNFJ-UHFFFAOYSA-N
-rxn:4:183883:223168,FC(F)(F)CN1CCC(CCOc2ccc(-c3cccnc3N3CCNCC3)cc2)CC1,KEXTUMWBXLJSNT-UHFFFAOYSA-N
-rxn:4:183896:224312,COc1ccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1,SADXWSMQCHDRPF-UHFFFAOYSA-N
-rxn:4:183933:222720,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1ccc(N2CCNCC2)cc1C(F)(F)F,QEGVKQKBIWWPIT-UHFFFAOYSA-N
-rxn:4:183994:226893,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(Cl)c(C(F)(F)F)cc2F)cc1)C1CCCC1,OYLSNPMJRODFIB-UHFFFAOYSA-N
-rxn:4:184001:224989,COC(=O)C1(c2ccc(-c3cccc(-c4cnn(C(C)C)c4)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,ZLYSRTIFAUXEHS-UHFFFAOYSA-N
-rxn:4:184002:224592,N#CC1(c2ccc(F)c(-c3ccc(C(=O)C4CCN(C(=O)OCc5ccccc5)CC4)cc3)c2)CCCCC1,KFEVITNDJQGOEB-UHFFFAOYSA-N
-rxn:4:184039:225227,CC1CCN(c2ncc(-c3cccc(C(=O)N4CCC(COCc5ccc(Cl)cc5)CC4)c3)cc2Cl)CC1,ZSZYBIUDEFRXGZ-UHFFFAOYSA-N
-rxn:4:184049:226020,COc1ccc(-c2ccc(OC(F)(F)C(F)F)cc2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,PQEZTWCCRWXEDM-UHFFFAOYSA-N
-rxn:4:184068:223974,CC1CCN(c2ccc(-c3ccccc3CCC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c(C(F)(F)F)c2)CC1,UNDLIXBRCXZLAK-UHFFFAOYSA-N
-rxn:4:184068:226533,CCOC(=O)c1cc(F)ccc1-c1ccccc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1,ZWYFDIRVCLGNKB-UHFFFAOYSA-N
-rxn:4:184071:226829,Cc1cc(C(F)(F)F)cc(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1Cl,AUCCBNNVFFBSKT-UHFFFAOYSA-N
-rxn:4:184096:223279,CC1(C)CCC(N(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)OC(C)(C)C)CC1,FYUWGJYUWFBOHE-UHFFFAOYSA-N
-rxn:4:184145:224256,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1OCCCCN1C(=O)c2ccccc2C1=O,ZBAFCKRPMHCDSA-UHFFFAOYSA-N
-rxn:4:184156:225564,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cccc(C(C)(C)C(=O)OC)c1)C2=O,TVFRZUDUBKPCIQ-UHFFFAOYSA-N
-rxn:4:184168:224566,COC(=O)C1(c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CC4)c4ccccc34)cc2)CCCC1,OKBAVHUPDSZWRJ-UHFFFAOYSA-N
-rxn:4:184276:224969,Cc1cc(-c2cc(C#N)ccc2OC(C(F)(F)F)C(F)(F)F)ccc1C(=O)OC(C)(C)C,YJIMFIQUORKUSO-UHFFFAOYSA-N
-rxn:4:184307:224178,COC(=O)c1cc([N+](=O)[O-])c(-c2cccc(OCCN3CCN(C)CC3)c2)cc1OC(F)(F)F,OSPKFHZDNZMODQ-UHFFFAOYSA-N
-rxn:4:184311:225712,CCOC(=O)COc1ccc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c2)cc1,KVONWZZXXFZGNU-UHFFFAOYSA-N
-rxn:4:184445:222718,COC(=O)Cc1c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc(C#N)cc1C(F)(F)F,JEZPHCJWBLZXLB-UHFFFAOYSA-N
-rxn:4:184449:224401,COC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1-c1ccc(C2COCCO2)c(C(F)(F)F)c1,AESHNTVPQFDJNW-UHFFFAOYSA-N
-rxn:4:184452:223969,COC(=O)Cc1c(C(F)(F)F)ccc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c1C#N,HFZRJLQJWXWBAE-UHFFFAOYSA-N
-rxn:4:184693:225158,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2ccc(C(=O)N3CCSCC3)cc2)c1,PSPPJMLNTIWLAW-UHFFFAOYSA-N
-rxn:4:184832:222539,CCN(CC)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1C(=O)OC,SBKWOOFBSWEMLY-UHFFFAOYSA-N
-rxn:4:184848:223481,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)ccc1C(=O)ON1C(=O)CCC1=O,ICNUTELDNJBQMH-UHFFFAOYSA-N
-rxn:4:184925:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCOCC2)cc1OCC(F)F,IMMGKBPXJBDUHG-UHFFFAOYSA-N
-rxn:4:185052:225920,Cc1ccc(OCC(F)(F)F)c(-c2cccc(OCC3CCN(CC(F)(F)F)CC3)c2)c1,RYYCGTYVLYDQBP-UHFFFAOYSA-N
-rxn:4:185090:222826,CCCC(C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1)N1CCCC1,SMIWQNPOWORTRY-UHFFFAOYSA-N
-rxn:4:185103:224288,CCCOc1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cc1S(=O)(=O)N1CCOCC1,CLZCVFDUASTYAG-UHFFFAOYSA-N
-rxn:4:185156:226021,COC(=O)c1cc(-c2cc(Cl)ccc2OCC(F)(F)F)ccc1CN1CCC(C(F)(F)F)CC1,MBOUXDUKKLLZOO-UHFFFAOYSA-N
-rxn:4:185180:224169,O=C(c1ccccc1F)N(Cc1ccc(-c2cccc(OCCCN3CCOCC3)c2)o1)C1CCS(=O)(=O)C1,FNOFFLQKELXKJZ-UHFFFAOYSA-N
-rxn:4:185198:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(OC)CC4)c(C(=O)OC)c3)cc2)CC1,CQYLVSZELSLEAO-HZCBDIJESA-N
-rxn:4:185245:226486,COC(=O)COc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)o2)cc1,DEKMSGXCYAVTTG-UHFFFAOYSA-N
-rxn:4:185264:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)cc2)cc1,MQYIJVDNIIOHSW-UHFFFAOYSA-N
-rxn:4:185303:225129,CCOc1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2F)cc1S(=O)(=O)N(C)C1CCCCC1,SWCMJJMDHFOICD-UHFFFAOYSA-N
-rxn:4:185306:223841,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,CJTIXXFBLZNZDD-UHFFFAOYSA-N
-rxn:4:185335:223606,COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)c1,KOGLZWAIQMZDOZ-UHFFFAOYSA-N
-rxn:4:185340:224367,CC(C)COc1cc(-c2ccc(OCc3ccccc3)c(C(=O)N3CCC(F)(F)CC3)c2)ccc1OC(F)(F)F,QOVJEFKKAYEEDD-UHFFFAOYSA-N
-rxn:4:185356:224365,CCCCOc1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)c1F,MHOQXMRROQHRKI-UHFFFAOYSA-N
-rxn:4:185369:225552,CCN(C)c1cc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)cc(C2CC2)n1,BEZFKHOOBGZREN-UHFFFAOYSA-N
-rxn:4:185375:222989,Cc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,GBUWYNCRRLWCTF-UHFFFAOYSA-N
-rxn:4:185382:225894,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(COCC(F)(F)F)c3)ccc2C(F)(F)F)CC1,LQJVHNDGHCDNET-UHFFFAOYSA-N
-rxn:4:185387:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,NBXGEWPKNAMQRD-UHFFFAOYSA-N
-rxn:4:185415:225712,CCOC(=O)COc1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1,CJKHJRLCQSZTBY-UHFFFAOYSA-N
-rxn:4:185420:223661,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)C1,HRSIBDATASXOCQ-UHFFFAOYSA-N
-rxn:4:185440:223308,CCNCc1ccccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,OKYHVZNFCQSBFE-UHFFFAOYSA-N
-rxn:4:185449:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1,DRBBNMKHNOMHCN-UHFFFAOYSA-N
-rxn:4:185534:223287,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1,RHGBCWJTNQPEIQ-UHFFFAOYSA-N
-rxn:4:185544:226177,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C2CCCCC2)c1,XZNMVNRCJKDBHG-UHFFFAOYSA-N
-rxn:4:185578:222925,O=C(Oc1ccc2c(=O)c(-c3ccc(-c4ccc(C5CNC5)c(C(F)(F)F)c4)cc3)c(C(F)(F)F)oc2c1)N1CCOCC1,DRDQNODJLGZFHY-UHFFFAOYSA-N
-rxn:4:185603:225051,Cc1c(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)oc2ccc(-c3cc(F)cc(N4CCCC(C)C4)c3)cc12,YSZRNDVWZHWKBF-UHFFFAOYSA-N
-rxn:4:185642:223997,COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)cc1,KZNPTUWROJKHSX-UHFFFAOYSA-N
-rxn:4:185685:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC(F)(F)F)c(CC#N)c3)c(F)cc2C)CC1,WSGWBJPGMJJGDS-UHFFFAOYSA-N
-rxn:4:185742:222695,Cc1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC(F)(F)F)cc1S(=O)(=O)NC1CCCC1,HRTXJZJLSMVMBZ-UHFFFAOYSA-N
-rxn:4:186710:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CC(C(=O)OC)C4)c(Cl)c3)c(F)c2)CC1,XLPPVHFSKIXXLH-UHFFFAOYSA-N
-rxn:4:186921:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)c(F)c2)CC1,OCOLHUUFYAPVBC-WGSAOQKQSA-N
-rxn:4:186922:226551,CCOc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc(Cl)c1OC,JCEBZPPJKYYDGR-UHFFFAOYSA-N
-rxn:4:186981:224582,CCC(=O)N(c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1)C1C=CS(=O)(=O)C1,VANQUKHNVUXGQC-UHFFFAOYSA-N
-rxn:4:187000:222888,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCNCC4)c(Cl)c3)cc2)C1,RTJXZDYJHUCQDQ-UHFFFAOYSA-N
-rxn:4:187012:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2)cc1OC(F)(F)F,KOHURIUDXSCKIE-UHFFFAOYSA-N
-rxn:4:187023:226828,Cc1cc(Cl)c(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cc1C(F)(F)F,PDPNSXYBFYACOB-UHFFFAOYSA-N
-rxn:4:187056:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccc([N+](=O)[O-])c(OCC3CCCCC3)c2)c1,HMJPVUCHAAEHQQ-UHFFFAOYSA-N
-rxn:4:187156:224179,CN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)CC1,FNCXZTBDVZFCNK-UHFFFAOYSA-N
-rxn:4:187181:223695,CC1CCCN(C(=O)COc2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)C1,CVEUPDOKSFSABS-UHFFFAOYSA-N
-rxn:4:187188:224777,CCOC(=O)c1ccc(N2CCCC2C)c(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1,CDTYEBZOAWDXML-UHFFFAOYSA-N
-rxn:4:187196:223712,COc1ccc(-c2cc(OC)c(CN3CCOCC3)c(OC)c2)cc1C12CC3CC(CC(C3)C1)C2,FBASIBMARMJWLH-UHFFFAOYSA-N
-rxn:4:187197:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(CN4CCCCC4)c3)c(F)c2)CC1,CQBMBZLQCSVZNS-HZCBDIJESA-N
-rxn:4:187253:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(CCN4CCC(C(F)(F)F)CC4)ccc3F)c(Cl)c2)CC1,GMZKSXURXGGUHF-UHFFFAOYSA-N
-rxn:4:187297:222514,COc1ccc(-c2ccc(CCN3CCC(OC)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,GCPJMDDWSCDIDM-UHFFFAOYSA-N
-rxn:4:187305:222607,COC1CCN(CCc2ccc(F)c(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,BMKHXKJCZMAKJG-UHFFFAOYSA-N
-rxn:4:187325:224584,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1cccc(C(=O)N2CCC(C)CC2)c1,BACZQLPHIILOAV-UHFFFAOYSA-N
-rxn:4:187352:223638,CC(C)[Si](c1ncc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)s1)(C(C)C)C(C)C,NXSULLRQFGSEIK-UHFFFAOYSA-N
-rxn:4:187373:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1OC,KXXWKXHRPJNUOR-UHFFFAOYSA-N
-rxn:4:187385:224729,COc1cc(-c2ccnc(OC)c2C(=O)OC(C)(C)C)cc(OC)c1CN1CCC(F)(F)CC1,VCCCGBAAOXXTCU-UHFFFAOYSA-N
-rxn:4:187396:222742,CN1C(=O)C(=Cc2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)ccc2OCc2ccc(Cl)cc2)SC1=S,WLOQILGCZDUUMZ-UHFFFAOYSA-N
-rxn:4:187408:222930,CC(CS(=O)(=O)c1ccc(-c2cnc(Cl)c(N3CCCC(O)C3)c2)cc1)N1CCCCC1,LOBCHWJHLULFMC-UHFFFAOYSA-N
-rxn:4:187416:224765,CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1cc(C(F)(F)F)ccc1N1CCCC1,RSQGVFQEHVYENB-UHFFFAOYSA-N
-rxn:4:187429:224847,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)c1,ONRSAOPNEUYOFE-UHFFFAOYSA-N
-rxn:4:187483:223076,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c(OC)c1,MMBKRSZNJTZDJB-UHFFFAOYSA-N
-rxn:4:187484:222674,CCOc1ccc(-c2cccc(C(=O)NC3CCCCC3)c2F)cc1S(=O)(=O)N1CCCCC1C,DHYAGNHWDQUOEE-UHFFFAOYSA-N
-rxn:4:187492:225920,Cc1ccc(OCC(F)(F)F)c(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,PZLILCLZFRDXRW-UHFFFAOYSA-N
-rxn:4:187496:223973,CC1CCCN(c2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)cc3)c(C(F)(F)F)c2)C1,YINDHBAKCNWDQG-UHFFFAOYSA-N
-rxn:4:187508:223969,COc1ccc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c(C(=O)N2CCC(c3ccccc3)C2)c1,XGEURDQRILVNQD-UHFFFAOYSA-N
-rxn:4:187537:222660,O=C(Nc1ccccc1F)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,DIWMIDRUDJDARB-UHFFFAOYSA-N
-rxn:4:187563:222598,Cc1cc(-c2ccc(CN3CCCC(F)(F)C3)c(Oc3ccccc3)c2)cc(C)c1S(=O)(=O)NC1CCCC1,SQWBSYRRTDHDMC-UHFFFAOYSA-N
-rxn:4:187590:223667,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OC(F)(F)F)cc3OCc3ccccc3)c(F)c2)C1,WJTDKPLTTSNOSH-UHFFFAOYSA-N
-rxn:4:187591:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,FONPHAABLRTFEN-UHFFFAOYSA-N
-rxn:4:187616:225312,CN1CCCN(c2ncc(-c3ccccc3C(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)cn2)CC1,VCWVBYRLTVXNKO-UHFFFAOYSA-N
-rxn:4:187623:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(OC(C)C)c1CN1CCCCC1C,IZTLPVCZFIWXCO-UHFFFAOYSA-N
-rxn:4:187634:222959,Cc1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)ccc1C1CCNCC1,QHNMWPRFHXQRQR-UHFFFAOYSA-N
-rxn:4:187690:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)cc1,JRVWLECLRPCNIO-UHFFFAOYSA-N
-rxn:4:187690:225188,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccc(Cl)c(CN3CCOCC3)c2)c(F)c1,ZFKJMOOPPAUIMY-UHFFFAOYSA-N
-rxn:4:187863:225203,COC1c2ccc(-c3cc(C(F)(F)F)c(C4CC4)cc3C)cc2CN1C(=O)OC(C)(C)C,HSBIAPVZTKJVJH-UHFFFAOYSA-N
-rxn:4:187943:226308,CCc1cc(-c2ccc(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1C(=O)OC,WQXYLXLSKHLSEM-UHFFFAOYSA-N
-rxn:4:187948:224883,COc1ccc(-c2ccc(C(C)N3CCCCC3)cc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,NLAPUMKSVWZPBS-UHFFFAOYSA-N
-rxn:4:187948:224934,COc1ccc(-c2cccc(OCCN3CCCC3)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,HMZHQWZAMUXLHU-UHFFFAOYSA-N
-rxn:4:187962:224847,COc1ccc(CN2C(=O)c3c(F)cc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)cc3C2(C)C)c(OC)c1,HMGYSEBOOLXIPJ-UHFFFAOYSA-N
-rxn:4:187968:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)cn2)CC1,WWVVIRSREMYGSA-UHFFFAOYSA-N
-rxn:4:187970:223904,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)c2ccccc21,IHWIJRANXSYEJU-UHFFFAOYSA-N
-rxn:4:187973:225723,CN(C)CCOc1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1Cl,WMAWRGZQVOAUIH-UHFFFAOYSA-N
-rxn:4:187995:224898,CCc1cc(-c2ccccc2-c2ccc(OC)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,AWVAGXNWDIKAFN-UHFFFAOYSA-N
-rxn:4:189292:223559,CON(C)C(=O)c1ccc(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,QLCNKHSZYULVEY-UHFFFAOYSA-N
-rxn:4:189356:222545,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,VUHKFKQKCNNEGU-UHFFFAOYSA-N
-rxn:4:189356:222598,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C)c(S(=O)(=O)NC2CCCC2)c(C)c1,IOMDAGHPPSZBPG-UHFFFAOYSA-N
-rxn:4:189356:223507,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AFZDJRUBXPJMRJ-UHFFFAOYSA-N
-rxn:4:189356:223533,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,WQGRIJMOUNAFGN-UHFFFAOYSA-N
-rxn:4:189356:223542,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,RKQMHURBRXGXOB-UHFFFAOYSA-N
-rxn:4:189356:223567,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2cc(OC(C)C)ccc2n1C(=O)OC(C)(C)C,ZHRCTQVDQFHLFZ-UHFFFAOYSA-N
-rxn:4:189356:223576,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,ZKKVLGSGQZMPCU-UHFFFAOYSA-N
-rxn:4:189356:223659,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,IBLLBZIZXIYZEM-UHFFFAOYSA-N
-rxn:4:189356:223754,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,JUBQHRRWCSUVDV-UHFFFAOYSA-N
-rxn:4:189356:223785,CCN1CCN(CCOc2ccc(-c3ccc(S(N)(=O)=O)cc3S(=O)(=O)CC)cc2Cl)CC1,FUMBOCIIVOUINU-UHFFFAOYSA-N
-rxn:4:189356:223813,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,ZJUVTIXCPBONDI-UHFFFAOYSA-N
-rxn:4:189356:223839,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,UMYDBITVPHMXHF-UHFFFAOYSA-N
-rxn:4:189356:223894,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(OCCCN2CCN(C)CC2)c1,BKEXINRBIDPVHZ-UHFFFAOYSA-N
-rxn:4:189356:223898,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,RUSXZPXULNJKRF-UHFFFAOYSA-N
-rxn:4:189356:223901,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,LITDEJFMSTXZNA-UHFFFAOYSA-N
-rxn:4:189356:223957,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c1,RRSXUVISWYEYNZ-UHFFFAOYSA-N
-rxn:4:189848:224582,CC(=O)N(c1cccc(-c2cccc(N3CCN(C4CC4)CC3)c2)c1)C1C=CS(=O)(=O)C1,NOIHIWPDIYVOIN-UHFFFAOYSA-N
-rxn:4:190017:222723,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,NBTYAXVYCJFOIJ-UHFFFAOYSA-N
-rxn:4:190020:222795,CN(C(=O)c1ccc(-c2ccc(NC(=O)N3CCOCC3)cc2)cc1)C1CCS(=O)(=O)C1,AQYSHBNGRCHGFF-UHFFFAOYSA-N
-rxn:4:190025:224616,O=C1CCCCN1CS(=O)(=O)c1ccccc1-c1ccccc1OCCN1CCOCC1,RLSJKJYQRGZHEC-UHFFFAOYSA-N
-rxn:4:190048:225325,CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,NFOSUQMHRXLXHI-UHFFFAOYSA-N
-rxn:4:190171:225181,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2cccc(CN3CCOCC3)c2F)C(=O)O1,XWIFLCOERWMWCG-UHFFFAOYSA-N
-rxn:4:190178:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCCC(F)(F)C2)c(C(F)(F)F)c1,FSKJCPSGOZJPPS-UHFFFAOYSA-N
-rxn:4:190178:226475,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)c(OCC)n1,MVFTXRFLUZLCNE-UHFFFAOYSA-N
-rxn:4:190227:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCOCC1,NGHPLZDPMWMYIS-UHFFFAOYSA-N
-rxn:4:190322:222822,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2)CC1,KBJNYUNZZFJBAR-UHFFFAOYSA-N
-rxn:4:190327:222695,Cc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCCC2)cc1S(=O)(=O)NC1CCCC1,QAYWRYSJUMYZMN-UHFFFAOYSA-N
-rxn:4:190374:222881,COc1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2F)cc1S(=O)(=O)N1CCCCC1C,DMWDMVWWCOPZSM-UHFFFAOYSA-N
-rxn:4:190375:222942,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,QEQIQRNAKXCUHT-UHFFFAOYSA-N
-rxn:4:190376:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1S(=O)(=O)N1CCCCCC1,GFMZQJNSHVYIRK-UHFFFAOYSA-N
-rxn:4:190389:222718,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)CC1,ZBBCYTWHUDWPED-UHFFFAOYSA-N
-rxn:4:190395:222932,COCCNS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)C(C)C)C2=O)cc1,XKALTCIHSYDNOJ-UHFFFAOYSA-N
-rxn:4:190433:226395,Cc1cc(-c2cncc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,APIJKHZXZZOHRU-UHFFFAOYSA-N
-rxn:4:190435:222693,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)o1)N1CCC(c2ccccc2)S(=O)(=O)CC1,ZPNZUQVJSCBHOR-UHFFFAOYSA-N
-rxn:4:190468:225165,COc1cc(-c2ccc(S(=O)(=O)N3CCSC(c4cc(F)ccc4F)CC3)cc2)ccc1N1CCOCC1,BUPMGULWEVBXLB-UHFFFAOYSA-N
-rxn:4:190474:224819,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,YGBKSEKSXHSBIO-UHFFFAOYSA-N
-rxn:4:190475:222849,N#Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1C1CCNCC1,BAWCVLPZCOJJQX-UHFFFAOYSA-N
-rxn:4:190475:222994,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1,JZXZIPMGXNWHMK-UHFFFAOYSA-N
-rxn:4:190475:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c(F)c2)CC1,HSVCMBLRAAXCQH-UHFFFAOYSA-N
-rxn:4:190475:223571,O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,RTMAVCXBECLINW-UHFFFAOYSA-N
-rxn:4:190475:223754,CC1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,HRQWONHUXYRRRX-UHFFFAOYSA-N
-rxn:4:190475:224101,CC1CCN(CCOc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,AVTDIIVLUIMREK-UHFFFAOYSA-N
-rxn:4:190475:224120,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,MTQPGHIBEZTDRI-UHFFFAOYSA-N
-rxn:4:190475:224179,CN1CCN(CCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,NNCHYLKNWKIEQQ-UHFFFAOYSA-N
-rxn:4:190475:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C2CCCN2C(=O)C2CCCCC2)cc1,OHAAVLFXZUNTDD-UHFFFAOYSA-N
-rxn:4:190475:224349,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1,CFLQPBKRWBEFDS-UHFFFAOYSA-N
-rxn:4:190475:224481,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,FEDRBIMPNMJELS-UHFFFAOYSA-N
-rxn:4:190475:224496,CCN1CCN(Cc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,MRIZKTNFNGPBQI-UHFFFAOYSA-N
-rxn:4:190475:224570,CC(c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1)N1CCN(C)CC1,RCNNLXSHGGMPIF-UHFFFAOYSA-N
-rxn:4:190475:224845,CC(C)(C)c1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc(C(C)(C)C)c1,SUHBGHAPZWAWBH-UHFFFAOYSA-N
-rxn:4:190475:225106,CCN(CC)C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1Cl,GKTCCOSAVSOGAE-UHFFFAOYSA-N
-rxn:4:190475:225176,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc1,PMEJKCREEQKANO-UHFFFAOYSA-N
-rxn:4:190475:225454,CN1CC=C(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,JQZWCBWKUKXMBT-UHFFFAOYSA-N
-rxn:4:190475:225517,CN(C)CCCOc1cccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c1,FKJPOHATQQEOPO-UHFFFAOYSA-N
-rxn:4:190475:225611,COc1cc(N2CCCC2)ccc1-c1ccc(C2CCCN2C(=O)C2CCCCC2)cc1,PWRHKOQTIAAMIO-UHFFFAOYSA-N
-rxn:4:190475:225721,CCN(CC)C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cn1,DDSXCCUBBQBMIF-UHFFFAOYSA-N
-rxn:4:190483:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1C(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,KFYSQWLXDROTJS-UHFFFAOYSA-N
-rxn:4:190492:224684,C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)cc1F,VTILGUVLQLDIDO-TYKNXJODSA-N
-rxn:4:190830:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cccc2c1C(=O)N(C(=O)OC(C)(C)C)C2,XYPWCWLESYIXLG-UHFFFAOYSA-N
-rxn:4:190847:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1csc2c1CN(C(=O)OC(C)(C)C)CC2,OJVWTCFSKHJKRA-UHFFFAOYSA-N
-rxn:4:190900:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c1,KSNRHQJQTQJGDL-UHFFFAOYSA-N
-rxn:4:190972:226061,CC(C)c1cc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc(C2CC2)c1,CXGSTDAMGPRLBX-UHFFFAOYSA-N
-rxn:4:191003:223482,COc1ccc(-c2csc(-c3cc4cc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)ccc4oc3=O)n2)cc1,VWOULLWJOJVWHT-UHFFFAOYSA-N
-rxn:4:191007:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)c1,QDTNVVWIPVEVRF-UHFFFAOYSA-N
-rxn:4:191008:223059,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3ccc(N4CCNCC4)cc3Cl)ccc2C1(C)C,USZHRLLWPUWXAI-UHFFFAOYSA-N
-rxn:4:191031:222758,Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)ccc1NC(=O)OC(C)(C)C,NZDJRPPYOUJJLU-UHFFFAOYSA-N
-rxn:4:191039:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1,SBMQMJLPMMLPLE-UHFFFAOYSA-N
-rxn:4:191040:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3cc(OC(=O)N4CCCCCC4)ccc3c2)c1,VFZWBCYLUMONQY-UHFFFAOYSA-N
-rxn:4:191041:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,MPLHPBATJCIFDZ-UHFFFAOYSA-N
-rxn:4:191041:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,ANNGILRRMSOXGA-UHFFFAOYSA-N
-rxn:4:191042:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1,ZRCASHXIUCVEMP-UHFFFAOYSA-N
-rxn:4:191057:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c(C(C)C)c1,NRLZETZBXYWLKI-UHFFFAOYSA-N
-rxn:4:191062:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,AVIFSYGPOYJMJE-UHFFFAOYSA-N
-rxn:4:191062:225439,CC(c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1)N1CCCC1,MJASLCWCZZXVDJ-UHFFFAOYSA-N
-rxn:4:191062:225653,CC1CCCCN1c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cn1,BEHKWNSLWWGGMK-UHFFFAOYSA-N
-rxn:4:191062:225800,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCSC2)cc1,LKGWEHCJAWGBFA-UHFFFAOYSA-N
-rxn:4:191062:227432,Cc1nc(C2COC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,ZTUGZNBNQSWLGT-UHFFFAOYSA-N
-rxn:4:191069:222890,COc1cc(-c2cc(F)c3c(c2)N(CCC2CCCCC2)CCO3)cc(C2CCCNC2)n1,GFPKLDSMAOQFAB-UHFFFAOYSA-N
-rxn:4:191073:226059,CC(C)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)c(C(C)C)c1,VZZRWNMBDFGQDY-UHFFFAOYSA-N
-rxn:4:191087:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,ZKFWAAZRVZJKRA-UHFFFAOYSA-N
-rxn:4:191087:222973,CC(C)(C)NC(=O)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,JEZINVPRHCYBSZ-UHFFFAOYSA-N
-rxn:4:191087:225713,CCOC(=O)COc1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,AOVHHIPQMBEZGO-UHFFFAOYSA-N
-rxn:4:191103:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,JEOILHOICVBPIK-UHFFFAOYSA-N
-rxn:4:191103:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,MLVPRXSOFPJUCH-UHFFFAOYSA-N
-rxn:4:191103:226134,Cc1c(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C#N)cc1C1CC1,DMFIAVUKGILOMR-UHFFFAOYSA-N
-rxn:4:191104:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)cc1,PFPMUHDRNVHLSN-UHFFFAOYSA-N
-rxn:4:191105:223225,CCNC(=O)c1ccccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,JRUXXAVPCUJADM-UHFFFAOYSA-N
-rxn:4:191105:223289,CNS(=O)(=O)c1ccccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,ADDWWSGFAGZFAK-UHFFFAOYSA-N
-rxn:4:191105:225755,COC(=O)c1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)n1,SAYYLGOKQOBSGA-UHFFFAOYSA-N
-rxn:4:191105:226267,COCCOc1ccc(C)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,KJFSPHIVYZLQCL-UHFFFAOYSA-N
-rxn:4:191105:226355,COc1cc(Cl)c(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,KTLCNFZFYRPWFG-UHFFFAOYSA-N
-rxn:4:191105:227054,COc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CC1,UBMJIFIMUYKLMF-UHFFFAOYSA-N
-rxn:4:191105:227523,COC(=O)c1cnc(C)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,VUENRBMDMFUSRU-UHFFFAOYSA-N
-rxn:4:191124:223279,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,NXBCEMFACACVHS-UHFFFAOYSA-N
-rxn:4:191124:227118,Cc1c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)cc1C1CC1,CVGMSMYYOHEFLT-UHFFFAOYSA-N
-rxn:4:191125:225557,COC(=O)C1(c2ccc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,JJBSZCDFCSEZDM-UHFFFAOYSA-N
-rxn:4:191125:226488,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(OCCCF)c(F)c4)ccc32)CC1,UVOFBRXSHGBXMB-UHFFFAOYSA-N
-rxn:4:191125:227117,Cc1cc(C2CC2)cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1F,MWLLPDKWZOPPBS-UHFFFAOYSA-N
-rxn:4:191145:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)c3c(n4CC(F)(F)C(F)(F)F)CCCC3)cc2)CC1,QDNQWDGMYRGNMH-MEMLXQNLSA-N
-rxn:4:191149:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3c2C2CCC3N2C(=O)OC(C)(C)C)c1,SMWOUGCWRQFWPW-UHFFFAOYSA-N
-rxn:4:191172:223167,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccnc(N6CCNCC6)c5)cc4)cc1c32,HDIBMHRBZRYCLO-UHFFFAOYSA-N
-rxn:4:191188:223814,O=C1c2oc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc3c(=O)c2C(c2ccccc2F)N1CC1CCCO1,SVWUWEUGKNVAOJ-UHFFFAOYSA-N
-rxn:4:191189:227033,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2ccc(C3CC3)c(C#N)c2)cc1,OESIBFSVLHQISA-UHFFFAOYSA-N
-rxn:4:191192:223841,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc2F)cc1)N(CC1CCCO1)C3=O,GQWMLPFZXFUTBK-UHFFFAOYSA-N
-rxn:4:191195:224463,CC(=O)c1ccc(-c2ccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)cc2)cc1,AZLOBFJDYWXPIX-UHFFFAOYSA-N
-rxn:4:191195:225020,COc1cccc(-c2cncc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c2)c1,JBNVONLKCZKIJJ-UHFFFAOYSA-N
-rxn:4:191195:229016,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccsc1C1CC1)c1c2CCC1,JGTGYTWKADLBSA-UHFFFAOYSA-N
-rxn:4:191206:227085,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccc(C5CCCC5)nc4)c3)C3=C(CCCC3=O)N1CC2,KTVIOGONENVFIV-UHFFFAOYSA-N
-rxn:4:191238:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(SC#N)c(F)c3)c2)CC1,BQQYCPZRTHBSGE-UHFFFAOYSA-N
-rxn:4:192345:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(F)c(C(C)(C)C#N)c3)cc2)CC1,HMGSJLCGBDCOAU-UHFFFAOYSA-N
-rxn:4:192622:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3CN3C(=O)C=CC3=O)ccc2F)CC1,RFKZYGXENQUIQN-UHFFFAOYSA-N
-rxn:4:193131:222694,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2)C=C1,OFQGIKXFEJQWHN-UHFFFAOYSA-N
-rxn:4:193386:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,MDZGZWHROFZNKD-UHFFFAOYSA-N
-rxn:4:193503:224329,Cc1c(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,XONOCRJNYJJJJD-UHFFFAOYSA-N
-rxn:4:193518:224959,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1,VFRREFHSRAJDHD-UHFFFAOYSA-N
-rxn:4:193518:224968,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C)ccc2OCC2CCCO2)cc1,CALKGLHFHJDTQJ-UHFFFAOYSA-N
-rxn:4:193519:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(=O)CC1,AMVSFSBQJYLSCO-UHFFFAOYSA-N
-rxn:4:193562:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,ZOWCTILTZGXOPD-UHFFFAOYSA-N
-rxn:4:193577:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1,GSAVLKTVXFCYDI-UHFFFAOYSA-N
-rxn:4:193614:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(N4CCCCC4)cc(C(F)(F)F)c3)c2)CC1,ZMYFOWFFSCEJBS-UHFFFAOYSA-N
-rxn:4:193620:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,WQYFNRYORFISHC-UHFFFAOYSA-N
-rxn:4:193637:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(N2CCC(F)(F)CC2)ccc1C(F)(F)F,IKDRFILXZUQSBC-UHFFFAOYSA-N
-rxn:4:193651:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(S(=O)(=O)N3CCC(F)(F)CC3)c(F)cc2F)c(F)c1,DGXCVPDMZYYFTC-UHFFFAOYSA-N
-rxn:4:193707:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1,SXSDISBNKOQNTI-UHFFFAOYSA-N
-rxn:4:193773:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCC4(CC3)CO4)cc2)CC1,LRBFHEZSILQNRD-UHFFFAOYSA-N
-rxn:4:193775:223771,COc1ccc2c(c1)cc(-c1ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c1)n2C(=O)OC(C)(C)C,VPRDPYBALXAGLJ-UHFFFAOYSA-N
-rxn:4:193812:222537,CC1CCN(Cc2cc(F)ccc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)CC1,ITLZBCOEGOINGD-UHFFFAOYSA-N
-rxn:4:193844:222538,Cc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc(S(=O)(=O)N2CCCCC2)c1,KVIDZDAMWNWLBU-UHFFFAOYSA-N
-rxn:4:193855:223534,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,NTGVZJCLFQCQEM-LJQANCHMSA-N
-rxn:4:193885:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cccc(C(=O)N2CCC3(CC2)CC3(F)F)c1,YIVWGNKKBFLOSK-UHFFFAOYSA-N
-rxn:4:193886:224976,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cccc(N2CCCCC2)c1C#N,YKDVNIRSXAUHSS-UHFFFAOYSA-N
-rxn:4:193886:224977,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1ccc(N2CCCCC2)c(C#N)c1,JYTHHYZSNSOOOJ-UHFFFAOYSA-N
-rxn:4:193886:224991,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cc(C2CC2)nc(N2CCCC2)c1,DVUWJIMSTAOWMK-UHFFFAOYSA-N
-rxn:4:193888:224976,Cc1cc(-c2cccc(N3CCCCC3)c2C#N)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,JYGCTAPDGCQFOZ-UHFFFAOYSA-N
-rxn:4:193888:224977,Cc1cc(-c2ccc(N3CCCCC3)c(C#N)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,BKUOWXSGUUCAGI-UHFFFAOYSA-N
-rxn:4:193888:224986,Cc1cc(-c2ccc(N3CCCCC3)cc2C#N)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,JVPOMUPHURLXSK-UHFFFAOYSA-N
-rxn:4:193888:224991,Cc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,FMOCDKPMEFHQFK-UHFFFAOYSA-N
-rxn:4:193888:225003,COc1cc(N2CCCCC2)ccc1-c1cc(C)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,ZDIBAVPVLWCEBC-UHFFFAOYSA-N
-rxn:4:193907:222826,Cc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,OLFAAADFRXPGHB-UHFFFAOYSA-N
-rxn:4:193927:224329,Cc1cccc(C(=O)N2CCCC(C)C2)c1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,GQUGBLYEXFNBIG-UHFFFAOYSA-N
-rxn:4:193958:224690,CC1CCCC(C)N1S(=O)(=O)c1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)cc1,LEQYLQJFKXGHHW-UHFFFAOYSA-N
-rxn:4:194001:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2c(C)cc(C)c(S(=O)(=O)N3CCCCC3)c2C)c1,JBTRUWOKHRFPIX-UHFFFAOYSA-N
-rxn:4:194119:223482,COC(=O)c1ccn2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccc2c1,RRPAJHXWDWINOG-UHFFFAOYSA-N
-rxn:4:194572:225198,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1c(F)cccc1OC1CCCCO1,RMSHELIMPJYOPO-UHFFFAOYSA-N
-rxn:4:194625:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc3c(c1)CN(C(=O)C1CCCC1)C3)n2C(=O)OC(C)(C)C,SUFAPPPKSUEDTP-UHFFFAOYSA-N
-rxn:4:194656:223687,CC(c1ccco1)N1Cc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2OCC1=O,KARBDIDTTZSVRO-UHFFFAOYSA-N
-rxn:4:194669:223904,C[C@@H]1c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2CN1C(=O)C(C)(C)C,MOBIJDXZWHLBAC-GOSISDBHSA-N
-rxn:4:194696:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c1,GNODQNWFYLWCEM-UHFFFAOYSA-N
-rxn:4:194730:224101,COC1CCN(C2CCc3cc(-c4cccc(OCCN5CCC(C)CC5)c4)ccc32)CC1,VPMANGXTZRXTBA-UHFFFAOYSA-N
-rxn:4:194731:224246,COC1CCN(C2CCc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cc32)CC1,PDLIYROTEBKNCH-UHFFFAOYSA-N
-rxn:4:194731:224682,COC1CCN(C2CCc3ccc(-c4ccc(C(=O)N5CCCCC5)c(Cl)c4)cc32)CC1,OZWCKKGHYTXWJB-UHFFFAOYSA-N
-rxn:4:194750:225607,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)s1)N1CCCCC1,INZFTSJZFKGCJO-UHFFFAOYSA-N
-rxn:4:194750:225683,Cc1nc(C2CCCOC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,GHFYTCLIPDLUQD-UHFFFAOYSA-N
-rxn:4:194768:224285,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCOCC5)cc4F)ccc32)CC1,XNRYGPJCGVLYBV-UHFFFAOYSA-N
-rxn:4:194768:224959,COC1CCN(C2CCCc3cc(-c4ccc(OCC5CCCCO5)cc4)ccc32)CC1,LQLTZXSDZKEHPR-UHFFFAOYSA-N
-rxn:4:196626:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)ccc1N1CCCC1=O,WKJNTROVSURQJZ-UHFFFAOYSA-N
-rxn:4:197037:223841,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCCCC2=O)c1,IBVDLBCEBGYNEN-UHFFFAOYSA-N
-rxn:4:197037:223844,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc(N2CCCCC2=O)c1,CGHZVXJRERPOJP-UHFFFAOYSA-N
-rxn:4:197467:223497,CC(c1ccc(-c2ccc3ccn(C(F)F)c(=O)c3c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KFLJPOUVPPKMIB-UHFFFAOYSA-N
-rxn:4:197964:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4[nH]cc(C5=CCC6(CC5)OCCO6)c4c3)cc2)CC1,OXDYIXRBEVAXRY-UHFFFAOYSA-N
-rxn:4:197979:225366,CC(F)(F)c1ccc(-c2ccc3c(c2)CCCC3N2CCC(F)(F)CC2)c(C(F)(F)F)c1,GBUXEIAKNKVZKX-UHFFFAOYSA-N
-rxn:4:198013:222389,CC(=O)C1=C2CCCN2c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2S1(=O)=O,CPRPLPNKMPNZDA-UHFFFAOYSA-N
-rxn:4:199262:223499,CN1CCc2c(cccc2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O,PORSXTGRDWDDPV-UHFFFAOYSA-N
-rxn:4:199465:224153,CCOC(=O)Cc1c([N+](=O)[O-])ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1C#N,OKLIDPJXXXCEGD-UHFFFAOYSA-N
-rxn:4:199500:224847,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)cn1,RMEUGOHQNVVDTN-UHFFFAOYSA-N
-rxn:4:199520:224811,CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1,KQVDMMVCROWONA-UHFFFAOYSA-N
-rxn:4:199525:224016,CCC(C(=O)OC(C)(C)C)n1cc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(C(F)(F)F)n1,HBVXIAUKNOHPKL-UHFFFAOYSA-N
-rxn:4:199545:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCN=C1SCc1cccc(C(F)(F)F)c1,PGLQLBDQFOSLOS-UHFFFAOYSA-N
-rxn:4:199594:224764,CCC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccc(C(=O)N3CCOCC3)cc2F)c1,BEUDCAWXVZODSE-UHFFFAOYSA-N
-rxn:4:199637:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)CC1,MAHFHWVMDGODIP-UHFFFAOYSA-N
-rxn:4:199638:222724,O=S(=O)(c1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1,XTXYTRSRBYKVPX-UHFFFAOYSA-N
-rxn:4:199645:225984,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cnc(Cl)c(N3CCOCC3)c2)n1,UVWFBRQQKPJTMF-UHFFFAOYSA-N
-rxn:4:199653:226477,CCCCOc1ncc(Cl)cc1-c1cc(OC2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1C,CZXOSQABDKKAFL-UHFFFAOYSA-N
-rxn:4:199706:226238,CCCOc1ccc(-c2cccc(F)c2OCCCN2CCN(C(C)C)CC2)cc1C#N,UAVFDCJUJICEHX-UHFFFAOYSA-N
-rxn:4:199711:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)c(F)cc2C)CC1,QDSJCVLSPYPCGG-UHFFFAOYSA-N
-rxn:4:199711:226006,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3cc(F)cc(OCC(F)(F)F)c3)nc2)C1,HNGKWETXEWJQFI-UHFFFAOYSA-N
-rxn:4:199716:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccnc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)CC1,CNKJVXBSSRGNAJ-UHFFFAOYSA-N
-rxn:4:199719:223490,Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NCNUFTOSERUAEL-UHFFFAOYSA-N
-rxn:4:199740:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BEERZGPCECNHAN-UHFFFAOYSA-N
-rxn:4:199759:227285,C[Si](C)(C)CCOC(=O)N1CCN(c2cccc(-c3cc(C#N)cnc3C3CC3)c2)CC1,UVQLAIDMFOENSR-UHFFFAOYSA-N
-rxn:4:199777:225730,CCCCOc1c(Cl)ccc(-c2ccc(CC(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)cc2)c1F,KUOATYATXXJMLL-UHFFFAOYSA-N
-rxn:4:199791:224187,COc1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PCRVDEONQVZDAS-UHFFFAOYSA-N
-rxn:4:199883:223615,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)CC2)CC1,GNEVSTDTJNLOIL-UHFFFAOYSA-N
-rxn:4:199942:222432,COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cc2)SCC3)o1,QRRFEVXJMKAFHD-UHFFFAOYSA-N
-rxn:4:199961:226025,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cnc(OC4CCOC4)nc3Cl)ccc2n1,YHLWSZWKQVNWIE-UHFFFAOYSA-N
-rxn:4:199974:223917,CN(C(=O)c1cc(F)cc(-c2ccc3[nH]cc(C(=O)[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)c1)C1CCCCC1,FJKCEUIBVMURMN-JGCGQSQUSA-N
-rxn:4:199992:227564,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2c(Cl)ccc(OC)c2OC)c1OCC,QYXMFARGXOYRIJ-UHFFFAOYSA-N
-rxn:4:199999:226059,CC(C)c1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)c(C(C)C)c1,UXWPEGVRXSSNMD-UHFFFAOYSA-N
-rxn:4:199999:226913,CCc1cc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc(C2CC2)c1,OJBFDQMQVCZWRD-UHFFFAOYSA-N
-rxn:4:200006:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(cnn2C)c1/C=C/CCO[Si](C)(C)C(C)(C)C,QXAVWWIOMOCYIP-CSKARUKUSA-N
-rxn:4:200043:227941,COCc1cc(C)cc(-c2ccc(CN3CCC(N(C)C(=O)OC(C)(C)C)CC3)c3ccccc23)c1,GNBWCNVEYAYFIS-UHFFFAOYSA-N
-rxn:4:200048:225108,CCN(CC)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1,JXRZXBUUROTPKB-UHFFFAOYSA-N
-rxn:4:200057:224682,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1,IIYIEMSFTWGMID-UHFFFAOYSA-N
-rxn:4:200057:228015,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(-c2cccc(Cl)c2C2CC2)cc1,RPVKPAZQPIWKQN-UHFFFAOYSA-N
-rxn:4:200142:223608,COC(=O)Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc(C#N)c1[N+](=O)[O-],SMVOCDWQXPIZCH-UHFFFAOYSA-N
-rxn:4:200257:222721,CCN(CC)c1cc(OC)c([N+](=O)[O-])cc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,JQHCLVAGWQCDQC-UHFFFAOYSA-N
-rxn:4:200317:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc(F)cc4)o3)c2)C1,FDLIKBLUNOXETC-UHFFFAOYSA-N
-rxn:4:200340:222740,CC(C)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)cc(C2CCCNC2)n1,NCJPADOKGSTGFR-UHFFFAOYSA-N
-rxn:4:200384:226909,CCC/C=C/c1ccc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)cc1,BCIKIUAOFSAFAI-QPJJXVBHSA-N
-rxn:4:200472:224765,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(C(F)(F)F)ccc2N2CCCC2)CC1,SKRXMMLQJUDUIR-UHFFFAOYSA-N
-rxn:4:200538:224406,COc1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C(=O)N2CCC(Oc3ccncc3Cl)C2)c1,KFNNEVSTWVDASN-UHFFFAOYSA-N
-rxn:4:200568:223139,CCOc1ccc(-c2ccc(C3CCNCC3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,XDBSZWIDEJFIDQ-UHFFFAOYSA-N
-rxn:4:200568:223227,CCOc1ccc(-c2ccc(C(C)NC3CC3)s2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,IIDGZNNZOZHQDI-UHFFFAOYSA-N
-rxn:4:200574:225270,CCCOc1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C(C)C)CC3)c2)cc1C(F)(F)F,FFOTVQRCQLBISO-UHFFFAOYSA-N
-rxn:4:200580:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN=C2SC(C)c2ccccc2)cc1,GDUHYOPYZXKDFC-UHFFFAOYSA-N
-rxn:4:200633:222630,COc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,DSGNTNMIIILAQS-UHFFFAOYSA-N
-rxn:4:200633:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c1,VZIIXGYKTYRRQG-UHFFFAOYSA-N
-rxn:4:200635:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC,XVGLQOJTNTXUTO-UHFFFAOYSA-N
-rxn:4:200654:225283,CCC(C)c1cc(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1C(F)(F)F,BAFDNHPROBOAIV-UHFFFAOYSA-N
-rxn:4:200717:222724,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2C)CC1,WZTLOZRBXMKGSU-UHFFFAOYSA-N
-rxn:4:200725:225517,CN(C)CCCOc1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1,UOIGFTOLIDTDTP-UHFFFAOYSA-N
-rxn:4:200740:227240,CC(=O)OCc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)cc1,FOSWHIYTBHKGJB-UHFFFAOYSA-N
-rxn:4:200746:225170,Cc1cc(OC2CN(C(=O)c3cc(-c4cc(F)ccc4CN4CCOCC4)ccc3Cl)C2)cc(=O)n1C1CC1,MALJSDICLWLSQK-UHFFFAOYSA-N
-rxn:4:200752:223996,COc1cccc(C(=O)N2N=C(c3ccco3)CC2c2cccc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)c2)c1,ALFRKUPBLNJOCF-UHFFFAOYSA-N
-rxn:4:200763:223122,COc1ncc(-c2cccc(NC(=O)C(C)C)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,GCZRZDLSIQCDBG-UHFFFAOYSA-N
-rxn:4:200774:223062,COc1cccc(C2CC(c3ccc(-c4cnc(C5CCNCC5)cc4F)cc3)=NN2S(C)(=O)=O)c1OC,FUIMVFRUDZPKFO-UHFFFAOYSA-N
-rxn:4:200801:224710,CCCCOc1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccncc3C)CC2)cc(C(F)(F)F)c1,VSHTVRKWNATSSE-UHFFFAOYSA-N
-rxn:4:200805:226759,CCN1C(=O)C(=Cc2cc(-c3cc(OC)cc(C(F)(F)F)c3)c(OC)cc2OC)SC1=Nc1ccccc1,SHUIYLFLMCKRJL-UHFFFAOYSA-N
-rxn:4:200807:223969,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,JWPBPGJCFFYQBA-UHFFFAOYSA-N
-rxn:4:200807:227272,COCc1ccc(OC)c(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2OC)c1,CSLRHRICMWMBLR-UHFFFAOYSA-N
-rxn:4:200821:226258,CCCOC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,SITUSQGQELEPFL-UHFFFAOYSA-N
-rxn:4:200852:224283,COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc3)C2)cc1,NKKIDFZLKQIYHS-UHFFFAOYSA-N
-rxn:4:200854:228644,COC(=O)C1CCCN(Cc2ccc(-c3cc(C)c(F)c(C)c3)cc2N2CCOCC2)C1,DGGWSGMBNWANMR-UHFFFAOYSA-N
-rxn:4:200854:229015,COC(=O)C1CCCN(Cc2ccc(-c3ccsc3C(C)C)cc2N2CCOCC2)C1,PPNKZXSQJLGXHL-UHFFFAOYSA-N
-rxn:4:200867:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1,PZVRRIOOZXMJBF-UHFFFAOYSA-N
-rxn:4:200874:226023,O=C(N1CCC(Oc2ccncc2-c2ccc(Cl)c(OCC(F)F)c2F)C1)C1(c2ccccc2)CCOCC1,FDYNTUUKFYVIRF-UHFFFAOYSA-N
-rxn:4:200891:224770,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)cc2C)CC1,QCXBXFGIXBRXLK-UHFFFAOYSA-N
-rxn:4:200894:225352,CCOc1ccc(-c2ccc(OC(C)=O)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,NAGBYIQMUYXIJA-UHFFFAOYSA-N
-rxn:4:200898:223239,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1cncc(C2CCCN2)c1,AQYUBNAQNYVRJR-UHFFFAOYSA-N
-rxn:4:201013:223992,CCCN1C(SCc2cccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)=NS(=O)(=O)c2ccccc21,UTUFBJHDPXZCEF-UHFFFAOYSA-N
-rxn:4:201097:224393,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3C2)C1,ZFHSUIFSFSAXIH-UHFFFAOYSA-N
-rxn:4:201121:222696,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)N2C(=O)CCSC2=N1,NZWMYMMTSWLDNP-UHFFFAOYSA-N
-rxn:4:201124:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VQXNRTKDIVEYGD-UHFFFAOYSA-N
-rxn:4:201129:222598,COc1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)c(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1,YNTAFGZDZXIHSE-UHFFFAOYSA-N
-rxn:4:201142:222778,CCc1cc2cc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,AZYPDDKNFKOUGL-UHFFFAOYSA-N
-rxn:4:201147:228874,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cc(C#N)cnc3Cl)ccc21,ISKFBHLXEXUTHW-UHFFFAOYSA-N
-rxn:4:201194:223608,O=S(=O)(c1cc(-c2cnn(CCOC(F)(F)F)c2)ccc1OC(F)(F)F)N1CCOCC1,LNGURXOCJYUZEY-UHFFFAOYSA-N
-rxn:4:201205:223953,COCCN1CCN(c2cc(F)cc(-c3cc([N+](=O)[O-])cnc3OCC(F)(F)F)c2)CC1,WZMZLLFYBDJDNK-UHFFFAOYSA-N
-rxn:4:201387:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncn3CC(=O)OC(C)(C)C)cc21,PEQNNUWJMJVWBB-UHFFFAOYSA-N
-rxn:4:201597:224018,CN(C(=O)OC(C)(C)C)c1ncccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,KBROQOZYCYLWRA-UHFFFAOYSA-N
-rxn:4:201606:222716,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cnc1OCC1CCOCC1,VNBPMZLIXMVPIG-UHFFFAOYSA-N
-rxn:4:201672:224404,CCOC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,OJLLPWKHQUBEQG-UHFFFAOYSA-N
-rxn:4:201686:222543,CC(C)N(C(=O)c1cncc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1)C(C)C,YMBJFXAVUFAOOG-UHFFFAOYSA-N
-rxn:4:201765:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,ZQPDXJPXIQISDZ-UHFFFAOYSA-N
-rxn:4:201765:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1,YVVKDWWXTHWAGK-UHFFFAOYSA-N
-rxn:4:201813:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCC(C(=O)OC)CC4)c3)c3ccccc23)CC1,HXGJTMIIWCJQGI-UHFFFAOYSA-N
-rxn:4:201830:224010,CCC(C)N1CCC(Oc2ccncc2-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1,XGAGYIHIFCHRDW-UHFFFAOYSA-N
-rxn:4:201908:223931,CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc2ccc(Cl)cc21,ZXLMLWNECAFVEZ-UHFFFAOYSA-N
-rxn:4:201916:224733,O=[N+]([O-])c1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)cc1,OHJUSEVCMQAZCL-UHFFFAOYSA-N
-rxn:4:201987:224489,CCN1CCN(Cc2cccc(-c3cc(F)ccc3CN(C(C)C)C(C)C)c2OC)CC1,BHUDMNVQTGNMQP-UHFFFAOYSA-N
-rxn:4:201988:224772,CCOc1c(CN2CCN(C)CC2)cccc1-c1ccc(C(=O)N2CCOCC2)cc1Cl,SZMRREWFAJYKGY-UHFFFAOYSA-N
-rxn:4:201992:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cn1,XPGJFISKWTVMSN-UHFFFAOYSA-N
-rxn:4:202004:222630,CCOc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,FCUMFZODAMTIEK-UHFFFAOYSA-N
-rxn:4:202006:223002,CCOc1cc(-c2ccc(C3CCNCC3)cc2F)ccc1S(=O)(=O)N1CCN(C)CC1,OCHAUTVZCKAROH-UHFFFAOYSA-N
-rxn:4:202011:225982,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(N4CCOCC4)cc3F)cn2)C1,HTGHEMYGSMRGKG-UHFFFAOYSA-N
-rxn:4:202046:222604,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4ccncc4)CC3)c2)cc1S(=O)(=O)NC1CCCC1,KJFRJTFMQRHLQT-UHFFFAOYSA-N
-rxn:4:202069:226228,COCCCOc1ccccc1-c1cncc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,SOSCUHCDYHMOEM-UHFFFAOYSA-N
-rxn:4:202081:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ccncc3)C2)cc1,DYTKECAWJJKCPU-UHFFFAOYSA-N
-rxn:4:202098:223075,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)nc2)CC1,OHTXBHFTDVFNMH-UHFFFAOYSA-N
-rxn:4:202101:222780,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc(F)cc(C(=O)NCCN(C)C)c2)cs1,UPTJNGFZZALFDY-UHFFFAOYSA-N
-rxn:4:202111:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,YZRXADCQBRLSMP-UHFFFAOYSA-N
-rxn:4:202115:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,YHWDZQRFAAGZNT-UHFFFAOYSA-N
-rxn:4:202143:223020,COc1cc(C)c(-c2ccc(C(=O)NCCC#N)cc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,UNWCWYGXNBDYFF-UHFFFAOYSA-N
-rxn:4:202195:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)C2CC=CCC2)CC1,RLKNVCOYVYPGRM-UHFFFAOYSA-N
-rxn:4:202236:223079,CC(C)NS(=O)(=O)c1cccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,WHGSAXUOIRZGNZ-UHFFFAOYSA-N
-rxn:4:202273:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)c1,TXYCZWOZFFBKEE-UHFFFAOYSA-N
-rxn:4:202277:227880,N#CCCc1ccc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)cc1,MTMHEEDPBABQFN-UHFFFAOYSA-N
-rxn:4:202284:225318,COc1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,UFVJZKXQTKFHTK-UHFFFAOYSA-N
-rxn:4:202287:225073,CCOC(=O)c1cc2cccc(-c3ccccc3C(=O)N3CCCSCC3CN3CCOCC3)c2s1,KSAYEBXECPHAIU-UHFFFAOYSA-N
-rxn:4:202310:222415,NS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1F,BUXRWKSXYTTWDJ-UHFFFAOYSA-N
-rxn:4:202310:223191,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1F,QBSNKKRHSCYSBK-UHFFFAOYSA-N
-rxn:4:202310:223192,CNS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1F,UQTFVYCLHXRJAX-UHFFFAOYSA-N
-rxn:4:202310:226254,CCCOc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1OC,DKHYNGZCQXMTHK-UHFFFAOYSA-N
-rxn:4:202321:223849,CCCCCc1ccc(-c2ccc(-c3ccc(CN4CCCC(C(F)(F)F)C4)c(N4CCCCC4)c3)cc2)cc1,QUGDKAKKJAETBN-UHFFFAOYSA-N
-rxn:4:202328:223388,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)O)cc3)CC2)CC1,AVEXVWJPTSGTCJ-UHFFFAOYSA-N
-rxn:4:202328:228741,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C#N)ccc3Cl)CC2)CC1,AKNFBUUUOWXDGX-UHFFFAOYSA-N
-rxn:4:202337:223992,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)o2)CC3)cc1,QWCAFYZJJUKOAL-UHFFFAOYSA-N
-rxn:4:202463:223698,O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)o1,DGGJJPOYNZYWLP-UHFFFAOYSA-N
-rxn:4:202559:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,COCWGPVFPBJSDX-UHFFFAOYSA-N
-rxn:4:202564:227906,CCC(C)c1ncccc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,ZBERXLGAKLTAGU-UHFFFAOYSA-N
-rxn:4:202585:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(-n3c(SCc4ccc(F)cc4)nc4c(c3=O)SCC4)cc2)C1,MJCSPHIPKMISBB-UHFFFAOYSA-N
-rxn:4:202596:225984,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)SC1=S,JWMYQEXYRNWZQP-UHFFFAOYSA-N
-rxn:4:202648:225212,CN1CCN(c2cc(F)cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)c2)CC1,PMXYLJWCXULMCM-UHFFFAOYSA-N
-rxn:4:202675:223888,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c2cccnc21,UYILJAZLVKZOKH-UHFFFAOYSA-N
-rxn:4:202677:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,BMXRTEFJKGSEOU-UHFFFAOYSA-N
-rxn:4:202677:224325,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccnc21,VQIMUXSKJPXMOG-UHFFFAOYSA-N
-rxn:4:202682:224350,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1,QXHDTJHOPWIODO-UHFFFAOYSA-N
-rxn:4:202692:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,FUCXFSMKAXUMRF-UHFFFAOYSA-N
-rxn:4:202692:226095,CCCCOc1cc(C)cc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,YASINZOTUNSGGS-UHFFFAOYSA-N
-rxn:4:202698:222774,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(F)c(CN4CCC(O)CC4)c3)ccc21,VTZPTIHPOXHSEF-UHFFFAOYSA-N
-rxn:4:202713:224206,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cc(F)ccc4OCc4ccc(F)cc4)ccc3C2=O)CC1,WZPFTZWGACXFMQ-UHFFFAOYSA-N
-rxn:4:202736:226562,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cc(F)c(OCC)c(OC)c3)ccc21,ICOANFJAFPZLFW-UHFFFAOYSA-N
-rxn:4:202778:224156,CCn1c2c(c3cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,SHUBKABOSIYKEU-UHFFFAOYSA-N
-rxn:4:202794:223568,COC(=O)c1ccc(C2Oc3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3C3CC(c4ccc(C)o4)=NN32)cc1,PUAKHSQKGSRPEN-UHFFFAOYSA-N
-rxn:4:202807:222540,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,SASNYMRHGSYMMS-UHFFFAOYSA-N
-rxn:4:202812:222635,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cccc([C@H](C)NC(=O)OC(C)(C)C)c4)ccc2OC3c2ccccc2)cc1,WZZLTERXIKDUHW-PKRNECEMSA-N
-rxn:4:202815:222904,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NC(=O)OC(C)(C)C)nc4)ccc2OC3c2ccc(F)cc2)cc1,DYEOKAHMGMLHJM-UHFFFAOYSA-N
-rxn:4:203108:223697,COC(=O)C1(c2cnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,QRSZVDICVKYQLA-UHFFFAOYSA-N
-rxn:4:203453:223559,COC(=O)c1nn(C(C)(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,OHGUJUWGHDODCC-UHFFFAOYSA-N
-rxn:4:203544:224824,O=C(c1ccc([N+](=O)[O-])cc1-c1cc(C2OCCO2)cc(C(F)(F)F)c1)N1CCC(F)(F)C1,DYZPUUCRDBBZDT-UHFFFAOYSA-N
-rxn:4:203628:223712,COc1ccc(-c2cnn(C)c2COC2CCCCO2)cc1C12CC3CC(CC(C3)C1)C2,BOBKXQBGBKGMBK-UHFFFAOYSA-N
-rxn:4:203633:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(CN3CCOCC3)cc([N+](=O)[O-])c2)CC1,AEBGCABBLGLDCG-UHFFFAOYSA-N
-rxn:4:203638:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCOCC2)cc1,OKLMHBVCYVMUJZ-UHFFFAOYSA-N
-rxn:4:203639:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)NN2CCSCC2)cc1,FGHKDLAFATWMPN-UHFFFAOYSA-N
-rxn:4:203708:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CC(N2C(=O)COC2=O)C1,ZGLPDSQCLFUVGU-UHFFFAOYSA-N
-rxn:4:203712:225639,CC1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)CC1,NQNUVGXNJWJKGG-UHFFFAOYSA-N
-rxn:4:203724:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)c1,YNBDDNKTLKCCSI-UHFFFAOYSA-N
-rxn:4:203731:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,OKQPRWFXTXGBAM-UHFFFAOYSA-N
-rxn:4:203757:225461,Cc1cc(N2CCCCC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,WGJFUVCULHLLBO-UHFFFAOYSA-N
-rxn:4:203782:225875,COc1cc(N2CCCC(F)(F)C2)c(-c2ccc(N3CCOCC3)cc2Cl)cc1[N+](=O)[O-],RGKMLBZSCIROKI-UHFFFAOYSA-N
-rxn:4:203790:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,ZAAMGBHZTJXYQQ-UHFFFAOYSA-N
-rxn:4:203832:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCN(C)CC3)c(C(F)(F)F)c2)c1,BFPZYPHUFIDOSI-UHFFFAOYSA-N
-rxn:4:203880:224394,Cc1ccc(-c2cccc(CC3CCCN(S(C)(=O)=O)C3)n2)cc1S(=O)(=O)N1CCOCC1,VRWVFVWTWHUOMD-UHFFFAOYSA-N
-rxn:4:203882:222804,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,OGRJMJMJUOLCCK-UHFFFAOYSA-N
-rxn:4:203894:223638,CN1CCN(S(=O)(=O)Cc2cccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,UDSSDFGRUZXTMA-UHFFFAOYSA-N
-rxn:4:203897:222538,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,MLKZZBKWKOMAAP-UHFFFAOYSA-N
-rxn:4:203897:222740,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c2)CC1,MHPPSIXKMXPASM-UHFFFAOYSA-N
-rxn:4:203905:224374,CCN1CCN(c2cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc(C(F)(F)F)c2)CC1,YUOXDUZDCAFXGE-UHFFFAOYSA-N
-rxn:4:203914:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C(F)(F)F)c(Cl)c2)CC1,XOXWGNPSKGVKQD-UHFFFAOYSA-N
-rxn:4:203915:226280,CC(C)Oc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)ccc1C#N,LTWQICVWBDOZJG-UHFFFAOYSA-N
-rxn:4:203975:222709,CC(C)N1CCN(C(=O)c2c(F)cc(-c3cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c3)cc2F)CC1,SBLOQYAKTXOPLV-UHFFFAOYSA-N
-rxn:4:203975:224326,Cc1cc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(F)c2)ccc1S(=O)(=O)N1CCCCC1,SIXPDZCRIULMMJ-UHFFFAOYSA-N
-rxn:4:203977:223767,CC(C)(C)OC(=O)n1c(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc2ccc(C#N)cc21,IYAFCSVXXRBKSV-UHFFFAOYSA-N
-rxn:4:203998:222656,CCN1CCN(C(C)c2ccc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)cc2)CC1,KQUXSEHWIXDOBP-UHFFFAOYSA-N
-rxn:4:204012:225172,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cc(CN4CCOCC4)ccc3F)c2)CC1,GYQBFXUNNAHHSO-UHFFFAOYSA-N
-rxn:4:204015:222541,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc2C)CC1,NNHMDTVVXUGBJD-UHFFFAOYSA-N
-rxn:4:204015:222604,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)ccc2C)CC1,SCROROKWPYYZJB-UHFFFAOYSA-N
-rxn:4:204031:225265,CCCCOc1c(F)cc(F)c(-c2ccccc2N2CCN(S(=O)(=O)C(C)C)CC2)c1F,HZADODSWPBZFHS-UHFFFAOYSA-N
-rxn:4:204046:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc(C2CCCNC2)n1,ZUVNOEDEHXDYET-UHFFFAOYSA-N
-rxn:4:204074:227657,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(N3CCOCC3)s2)CC1,UZTXPOLGUWFYPB-UHFFFAOYSA-N
-rxn:4:204115:226265,COCCOc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccc1C,GAQOMDQAGOEEMT-UHFFFAOYSA-N
-rxn:4:204116:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cccc(C(=O)N2CCCN(C3CCOC3)CC2)c1,XAIXSJKOKKAUMY-UHFFFAOYSA-N
-rxn:4:204150:223658,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1)N1CCCN(C2CCSCC2)CC1,VDIBQULDKGCNNO-UHFFFAOYSA-N
-rxn:4:204175:226487,COC(=O)COc1cccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)c1,GOFYULZQYZXSBJ-UHFFFAOYSA-N
-rxn:4:204507:224484,CC(C)N(C(=O)c1ccccc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(C)C,CIMVSQUBBZUTMP-UHFFFAOYSA-N
-rxn:4:204585:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc2c(c1)C(=O)CCN2C(=O)OC(C)(C)C,SLITXBGWBSORIJ-UHFFFAOYSA-N
-rxn:4:204602:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,LOZGAOUMGDTCQJ-UHFFFAOYSA-N
-rxn:4:204605:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cnc2c(c1)C(C)CN2C(=O)OC(C)(C)C,BTROERCUFQLITA-UHFFFAOYSA-N
-rxn:4:204615:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)c4cccnc4c3OC(=O)N3CCCCC3)c2)CC1,DEQUQYHOGZOLAU-UHFFFAOYSA-N
-rxn:4:204615:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(Cl)c2cccnc2c1OC(=O)N1CCCCC1,ODHOJXAUJPLEOH-UHFFFAOYSA-N
-rxn:4:204722:225389,CCC(C)c1cc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)cc(C2CC2)c1,UZEBYTSCYOCYRZ-UHFFFAOYSA-N
-rxn:4:204723:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc1,UPWZDDOFZICULW-UHFFFAOYSA-N
-rxn:4:204796:224483,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCCCC4)cc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,OYFAOBAERLQKKP-UHFFFAOYSA-N
-rxn:4:204801:223885,CC(C)Cn1c(-c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)nc(=S)c2c1CCCC2,JZIXFGBMPYWSAZ-UHFFFAOYSA-N
-rxn:4:204804:227025,CCc1ncc(C2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,QMBHRBPPHNUTIU-UHFFFAOYSA-N
-rxn:4:204806:223035,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3cccnc3NC(=O)C(C)(C)C)c2)c1,QRDJTERBQSWWKG-UHFFFAOYSA-N
-rxn:4:204807:223123,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(NC(=O)C(C)C)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,KKWQWHZCCLEEPT-UHFFFAOYSA-N
-rxn:4:204821:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CN3C(=O)N(c4ccc(C)cc4)S(=O)(=O)c4ccccc43)c(F)c2)CC1,GPFXTUPLEIDTGQ-UHFFFAOYSA-N
-rxn:4:204845:224325,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,HEYWCLDQZSHVMR-UHFFFAOYSA-N
-rxn:4:204865:226423,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(Cl)c(N5CCCC5)c4)c3)c3ccccc3S2(=O)=O)CC1,ARKHJUOXWSRYEN-UHFFFAOYSA-N
-rxn:4:204898:222675,COc1cc(-c2cccc3[nH]c4c(c23)CN(C(=O)OC(C)(C)C)CC4)ccc1NC(=O)OC(C)(C)C,OWWIXERXCHXUBN-UHFFFAOYSA-N
-rxn:4:205088:223490,COc1ccc(C#N)nc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ULZAUBDVAOEUGH-UHFFFAOYSA-N
-rxn:4:206585:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nccc(C4CCCCC4)c3C#N)ccc2C)CC1,HQMOWCPGWGLETR-UHFFFAOYSA-N
-rxn:4:206615:223712,COc1ccc(-c2cc(Cl)cnc2C(=O)N2CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,WWLONYKYNLOGBP-UHFFFAOYSA-N
-rxn:4:206622:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)n3)c3ccccc23)CC1,LKBWNCSWJMFEOP-UHFFFAOYSA-N
-rxn:4:206716:223884,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,ATIDRBQPPPVTFR-UHFFFAOYSA-N
-rxn:4:206739:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnccc2N2CCCC(C(F)(F)F)C2)CC1,RIGCXCORFPEEHH-UHFFFAOYSA-N
-rxn:4:206797:222694,CS(=O)(=O)N1CCOC(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,DJSKVLBYDDRNMW-UHFFFAOYSA-N
-rxn:4:206797:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)c(F)ccc21,FPZFCGOXCJRTBY-UHFFFAOYSA-N
-rxn:4:206814:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)CC(=O)N(C5CC5)C4=O)cc3)cc2)CC1,NOSZDDUVDSOZOZ-UHFFFAOYSA-N
-rxn:4:206940:222724,CC1=NN(C(C)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)C(=O)CC1,VQUWCVQQKLKWPV-UHFFFAOYSA-N
-rxn:4:206957:222724,CC1CCN(S(=O)(=O)c2cncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,HRVSCMOFFACBOT-UHFFFAOYSA-N
-rxn:4:206963:222693,CS(=O)(=O)N1CCN(c2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,BMMMGYNWOGVCPS-UHFFFAOYSA-N
-rxn:4:206964:222724,CS(=O)(=O)N1CCC(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,IDPYFNKKJOKFBM-UHFFFAOYSA-N
-rxn:4:206978:222721,CC1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)CC1,YDDRCJFTHNQSIB-UHFFFAOYSA-N
-rxn:4:207009:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc(C(C)(C)C)cc(C(C)(C)C)n3)cc21,CDDSYMWMJSOYKQ-UHFFFAOYSA-N
-rxn:4:207026:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1,BISLISQQBPRGAV-UHFFFAOYSA-N
-rxn:4:207057:222394,Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,HKZANXLBVDNVPL-YHBQERECSA-N
-rxn:4:207081:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(F)c2)CC1,QUFPDGQDSHYCBI-YHBQERECSA-N
-rxn:4:207081:225877,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(Cl)cc3N3CCOCC3)c1)C2,VMYUXQKBNMFKPL-UHFFFAOYSA-N
-rxn:4:207796:222694,CN1CCN(S(=O)(=O)c2cc3cc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)ccc3oc2=O)CC1,GYMAANVBOMURHH-UHFFFAOYSA-N
-rxn:4:207832:225729,CCCCOc1ccc(F)c(-c2ccc(N3C(=O)C(=C4C(=O)N(CC)c5ccccc54)SC3=S)cc2)c1F,LOUSXNLEYWOIOO-UHFFFAOYSA-N
-rxn:4:207857:224687,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)o2)CN(C)C1=O,QNOSORUZPGWANI-UHFFFAOYSA-N
-rxn:4:207946:225677,COc1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FRALHLNDGWMJBE-UHFFFAOYSA-N
-rxn:4:207959:224163,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(cnn5C5CCCCO5)c4C)ccc2OC3C2CCCCC2)cc1,GZTKGDKIVMOVGY-UHFFFAOYSA-N
-rxn:4:209821:223697,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)ccn2)CC1,FZFKBMVBRWHGBS-UHFFFAOYSA-N
-rxn:4:209824:223697,CC1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)n2)CC1,YPYDCYDNDGQHDH-UHFFFAOYSA-N
-rxn:4:209835:223698,CC1CCN(c2cnccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,SKGIRXZAUYCJDC-UHFFFAOYSA-N
-rxn:4:209837:223697,CC1CCN(c2cccnc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,HUHYDSZETIWFRR-UHFFFAOYSA-N
-rxn:4:209842:223697,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)nc2)CC1,LIAAFEAEFNENHL-UHFFFAOYSA-N
-rxn:4:209844:223697,Cc1cc(N2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cn1,ISKPQEGBPRDECO-UHFFFAOYSA-N
-rxn:4:209847:223697,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,YCUUQIJWHYCYBM-UHFFFAOYSA-N
-rxn:4:209849:223697,Cc1ccnc(N2CCCCC2)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,WFVHZWSMKKQLQY-UHFFFAOYSA-N
-rxn:4:209850:223697,Cc1nc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,MOVXJBSUIPXVMK-UHFFFAOYSA-N
-rxn:4:209851:223697,CC1CCCN(c2ccncc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)C1,RJPRBVHDHZEJPJ-UHFFFAOYSA-N
-rxn:4:209853:223698,CC1CCN(c2ncccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,ITCSAEYRMDREAH-UHFFFAOYSA-N
-rxn:4:209855:223697,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cnc1N1CCCCC1,WPVBFVYSIJKELD-UHFFFAOYSA-N
-rxn:4:209856:223697,Cc1cc(N2CCCCC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,URBVLIOWYNYKOZ-UHFFFAOYSA-N
-rxn:4:209857:223697,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)C1,MQRLSKKKHYWAOR-UHFFFAOYSA-N
-rxn:4:209865:223697,CC1CCCN(c2cncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)C1,RCRUNPDQUIXCAY-UHFFFAOYSA-N
-rxn:4:209890:223697,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cnc1N1CCCCCC1,VTMNVYFLFPWQOY-UHFFFAOYSA-N
-rxn:4:212541:225199,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cc(F)c(OC4CCCC4)c(F)c3)n2)C1,ILKDHXZHUQQGCY-UHFFFAOYSA-N
-rxn:4:212542:225172,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,HACUNKGKZZISBM-UHFFFAOYSA-N
-rxn:4:212593:225175,CN(C(=O)c1ccc(-c2ccc(F)c(CN3CCOCC3)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,KAADQCMCEKKQJN-UHFFFAOYSA-N
-rxn:4:212597:222801,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)NC(C)(C)C)c4)cn3)C2)c1,AUHGJESJPFGARM-UHFFFAOYSA-N
-rxn:4:212607:226874,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3c(Cl)cccc3OC(F)(F)F)cn2)CC1,QHVLMLRSMXXMFK-UHFFFAOYSA-N
-rxn:4:212651:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cnc(C3CCCN3)nc2)CC1,BCDPDVXKRNXBTR-UHFFFAOYSA-N
-rxn:4:212656:227211,CCCCSc1ccc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,OIVYPDFESJPDIV-UHFFFAOYSA-N
-rxn:4:212663:227500,CCN(C)c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C(=O)OC)cc1Cl,PDPXCKDWQBEKEF-UHFFFAOYSA-N
-rxn:4:212665:225394,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CCC4)cc(C4CC4)c3)cn2)C1,KVALWSCXUKNOKW-UHFFFAOYSA-N
-rxn:4:212667:225190,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4OC)cn3)C2)cc1,FKZNEMRPQBCAHN-UHFFFAOYSA-N
-rxn:4:212676:222823,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3ccc(S(=O)(=O)NC(C)(C)C)cc3F)CC2)ncn1,FPFJITMIMAXSEI-UHFFFAOYSA-N
-rxn:4:212678:224459,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(N4CCCC4)c(C(C)(C)C)c3)C2)nc1,GWEIRVQMHBYPBZ-UHFFFAOYSA-N
-rxn:4:212695:222740,CC(C)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCCNC2)n1,DFWRDTODWSIOGK-UHFFFAOYSA-N
-rxn:4:212706:225155,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3)C2)cc1,SBCFDFHZDXPHED-UHFFFAOYSA-N
-rxn:4:212723:224765,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C(F)(F)F)ccc5N5CCCC5)cc4)CC3)n2)cc1,BXWJMVYJLBRGSU-UHFFFAOYSA-N
-rxn:4:212728:224391,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)cc4)CC3)n2)c1,IIRZJUZTTASKPV-UHFFFAOYSA-N
-rxn:4:212728:225010,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(F)c(CN6CCCCC6)c5)cc4)CC3)n2)c1,PMIVRJGOUAQVGJ-UHFFFAOYSA-N
-rxn:4:212731:225909,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cc(OC)cc(OC)c5)no4)C3)cc2)c(C(F)(F)F)c1,QQRMJHICAAPXPQ-UHFFFAOYSA-N
-rxn:4:212736:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,GSYYAZSEHAYEKB-UHFFFAOYSA-N
-rxn:4:212814:225404,Cc1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1-c1ccccc1,FFUJBYNDWHOHQM-UHFFFAOYSA-N
-rxn:4:212830:228968,CSc1ncc(-c2ccc3[nH]c(C(=O)N(C)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3c2)c(Cl)n1,XUJOBZDVFDVOCQ-QGZVFWFLSA-N
-rxn:4:212848:223510,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)nc3n2C(=O)OC(C)(C)C)C1,JRENDPXYUWUYSS-UHFFFAOYSA-N
-rxn:4:212918:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,VYQAEKVEOMUAMF-UHFFFAOYSA-N
-rxn:4:212923:225852,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3cnc(C4CCCCC4)nc3Cl)cn2)C1,DCSBVCHOQNQVLD-UHFFFAOYSA-N
-rxn:4:212944:223279,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,VVVHMRPYIPKNKB-UHFFFAOYSA-N
-rxn:4:212967:223945,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,ZFCQSBSQVXWPHP-UHFFFAOYSA-N
-rxn:4:212988:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,IEVJBHQVCWMMPL-UHFFFAOYSA-N
-rxn:4:213006:223872,CCN(C(=O)c1cccc(-c2ccc(OC)cc2C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1)C1CCCCC1,UCTCSXLIFHDACO-UHFFFAOYSA-N
-rxn:4:213011:225313,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,VMUGCDSWJXOLSZ-UHFFFAOYSA-N
-rxn:4:213049:224681,CC1CCN(c2oc(COc3ccc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)cc3)nc2C#N)CC1,NAYOOZKWFSEPGO-UHFFFAOYSA-N
-rxn:4:213053:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,WHPMTILSPTWWLY-UHFFFAOYSA-N
-rxn:4:213057:224367,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3ccc(OC(F)(F)F)c(OCC(C)C)c3)C2)c1F,AHAHDHPLCBOXDK-UHFFFAOYSA-N
-rxn:4:213064:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)c2)C1,RGHWCXJQEQOVGP-UHFFFAOYSA-N
-rxn:4:213065:224677,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)cn2)C1,SYYWZXGWOQDWMF-UHFFFAOYSA-N
-rxn:4:213072:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,KZASNWZVDIMZMV-UHFFFAOYSA-N
-rxn:4:213073:226844,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,KNUBMXKMMMOIFV-UHFFFAOYSA-N
-rxn:4:213076:224129,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)cn2)cc1,RBCYDHDZURNDHY-UHFFFAOYSA-N
-rxn:4:213079:223844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nc2)CC1,XODMGHCGIDOTCB-UHFFFAOYSA-N
-rxn:4:213107:222822,COc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cn3)C2)cc1,FDMLACJCRRJSFE-UHFFFAOYSA-N
-rxn:4:213112:222699,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)C2)nn1,VIBQBFWKYBQZDZ-UHFFFAOYSA-N
-rxn:4:213113:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1,WRQVPYPUGPBAEE-UHFFFAOYSA-N
-rxn:4:213114:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)nc1,WVPIEJKZJLMJSO-UHFFFAOYSA-N
-rxn:4:213139:225305,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,YWLCCIAXGZEDKQ-UHFFFAOYSA-N
-rxn:4:213150:224231,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(Cl)c3OCc3ccccc3)cn2)CC1,PIQKSBPIBOPQIJ-UHFFFAOYSA-N
-rxn:4:213153:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])c1,KHWLWQNLAJDMFQ-UHFFFAOYSA-N
-rxn:4:213182:223606,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)cc1,XCWWKWVMOKOLFJ-UHFFFAOYSA-N
-rxn:4:213192:223003,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)c(C4CCNCC4)c3)n2)CC1,FNTFUFPBQCHUBA-UHFFFAOYSA-N
-rxn:4:213201:224599,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C(=O)C4CCCCC4)ccc3F)CC2)ncn1,YSXFLVWHTTXUGI-UHFFFAOYSA-N
-rxn:4:213202:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1,PTZLCSGSUNJJOH-UHFFFAOYSA-N
-rxn:4:213202:224458,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(C)N4CCC(C)CC4)cc3)CC2)nn1,NPCQMHGOTGRVQE-UHFFFAOYSA-N
-rxn:4:213203:222723,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)nn1,OLBHAVIKWDEKSH-UHFFFAOYSA-N
-rxn:4:213219:224890,CCN1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)c(C(=O)OC(C)(C)C)n2)CC1,WQRUQLRCNKHBOL-UHFFFAOYSA-N
-rxn:4:213239:222802,Cc1ccc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)c(S(=O)(=O)NC(C)(C)C)c1,DJXGKSZDZJYMTC-UHFFFAOYSA-N
-rxn:4:213248:224496,CCN1CCN(Cc2cccc(-c3ccc(OC)cc3C(=O)N3CCC(c4nnc(C(C)C)o4)CC3)c2)CC1,PFLXVYGNOOYWSM-UHFFFAOYSA-N
-rxn:4:213253:224949,COc1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc1CN1CCCC1,QJDDLFMDPDKHDW-UHFFFAOYSA-N
-rxn:4:213259:223858,COc1cc2c(cc1-c1ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn1)-c1ccccc1C2(C)C,WNGDGRBEFFJQDI-UHFFFAOYSA-N
-rxn:4:213281:226078,COc1cc2ccccc2cc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,IOMJOXINEMHWCK-UHFFFAOYSA-N
-rxn:4:213281:226375,Cn1ccnc1-c1cccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,HSRYSDBWKKRDDG-UHFFFAOYSA-N
-rxn:4:213281:226648,Cc1nc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)no1,DHDAQKNDCIIGEC-UHFFFAOYSA-N
-rxn:4:213281:228695,CN(C)Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cs1,SHGHVUNLIPLKMM-UHFFFAOYSA-N
-rxn:4:213360:224621,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(OCCN4CCSCC4)cc3)ccc21,HFALKJKSUFEAIR-UHFFFAOYSA-N
-rxn:4:213364:223919,CN(C(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1Cl)C1CCCCC1,FDZTUODAUBGPAJ-UHFFFAOYSA-N
-rxn:4:213368:222861,CCCCNC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cccn2)C3)ccc1F,OTEKOAQBUKSJOR-UHFFFAOYSA-N
-rxn:4:213378:222716,O=C(Cc1cccc2ccccc12)N1CCCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn2)C1,BSNXDUZZPHYDSZ-UHFFFAOYSA-N
-rxn:4:213451:222446,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)NCc6ccc(OC)cc6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PHYMHJVMWYMHSL-UHFFFAOYSA-N
-rxn:4:213480:226579,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IVIDEZWDZZITMN-FGWXRDQWSA-N
-rxn:4:213659:223712,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)C1,GTNHKGLHPJOXCO-UHFFFAOYSA-N
-rxn:4:213662:224767,CC(=O)N1CCC(COc2ncc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)CC1,SJBZECOVBOHLRS-UHFFFAOYSA-N
-rxn:4:213686:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnn(CC2CN(C(=O)C(C)(C)C)C2)c1,NOIXKINAFGXFFF-UHFFFAOYSA-N
-rxn:4:213758:222522,COc1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)cc1S(=O)(=O)N1CCC(O)CC1,IDYNRFNSFFVGHC-UHFFFAOYSA-N
-rxn:4:213801:225325,CCOC(=O)c1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc([N+](=O)[O-])c1,MOUAKMLTOUNBCC-UHFFFAOYSA-N
-rxn:4:213805:222684,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,INXUIQWUXIBHFY-UHFFFAOYSA-N
-rxn:4:213806:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCC4)n3)cc2)cc1,MYVLYMHFTPYOQJ-UHFFFAOYSA-N
-rxn:4:213836:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,BIMNTGWTPFJEJK-UHFFFAOYSA-N
-rxn:4:213873:223076,CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(S(=O)(=O)NC3CC3)c2)CC1,YEKXBKSXSFTGIJ-UHFFFAOYSA-N
-rxn:4:213897:223064,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(C3CCNCC3)nc2F)CC1,KIYNEEWYAFFTGN-UHFFFAOYSA-N
-rxn:4:213898:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2)CC1,HTJCJJKGTMXKFE-RQNOJGIXSA-N
-rxn:4:213902:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,AMSXRLIJOHPXFN-UHFFFAOYSA-N
-rxn:4:213932:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1C,IAZIAFGDHKKUSH-UHFFFAOYSA-N
-rxn:4:213933:225539,CCN(CC)Cc1c(F)cccc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,MQXFWKAQPLFDCN-UHFFFAOYSA-N
-rxn:4:213947:222899,CCCCNS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,GGZYFJSQJLJLKM-UHFFFAOYSA-N
-rxn:4:213966:224376,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,BUQRWDNQZAPZQH-UHFFFAOYSA-N
-rxn:4:213971:224886,CC1CCN(Cc2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,QFWYFBREZVZRGE-UHFFFAOYSA-N
-rxn:4:213971:229081,CN(C)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)s1,SCQKAAJKFGXKMI-UHFFFAOYSA-N
-rxn:4:213972:224864,CC(C)N(Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1)C(C)C,XWXBZFDLVIYAFQ-UHFFFAOYSA-N
-rxn:4:213972:228695,CN(C)Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,VMTQIFBCGYBCMO-UHFFFAOYSA-N
-rxn:4:213982:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)cc1,MKGJBBBVSOJXMR-UHFFFAOYSA-N
-rxn:4:213997:222942,CC1CN(c2ccncc2-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)CCN1C(=O)OC(C)(C)C,BNLUZXNFKZKKOX-UHFFFAOYSA-N
-rxn:4:214008:224710,CCCCOc1cc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)s2)cc(C(F)(F)F)c1,CGXZBXRZTSWUTC-UHFFFAOYSA-N
-rxn:4:214026:225116,CCCCOc1c(F)c(C)cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1F,XCFFKEGLFNNEBV-UHFFFAOYSA-N
-rxn:4:214026:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,BFXKMLRWHAKYAP-UHFFFAOYSA-N
-rxn:4:214027:229167,CN(C)c1nc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,YQRUXYIBBFDIME-UHFFFAOYSA-N
-rxn:4:214029:224718,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2C(F)(F)F)C1)N1CCSCC1,CQGZJUGUXPMRID-UHFFFAOYSA-N
-rxn:4:214029:229150,N#Cc1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cn1,RLTLOVWLUIERIR-UHFFFAOYSA-N
-rxn:4:214051:225029,CC(C)c1sc(-c2cc(Oc3ccccc3)ccc2F)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,JJXMQOUCERTBNO-UHFFFAOYSA-N
-rxn:4:214071:226098,CCCCOc1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)cc1C,RJMXHECLNOXPGH-UHFFFAOYSA-N
-rxn:4:214074:225828,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,MCHVYIGAZGPKLL-UHFFFAOYSA-N
-rxn:4:214144:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,SLGSTITWASWRKX-UHFFFAOYSA-N
-rxn:4:214146:223005,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(C3CCNCC3)c(Cl)c2)C1,LSKCELLXDJMINF-UHFFFAOYSA-N
-rxn:4:214190:225102,CCN(CC)C(=O)c1cc(-c2cccc3c2ccn3CC(=O)N2CCN(C(C)=O)CC2)ccc1F,OHIRBGFAHWIPAE-UHFFFAOYSA-N
-rxn:4:214231:225977,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(Cl)cnc4N4CCOCC4)cccc3n2)C1,WSVGQHOIFDBAFU-UHFFFAOYSA-N
-rxn:4:214274:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,KJSIOLNPOROQJD-FQEVSTJZSA-N
-rxn:4:214274:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1,FKFDWVVPVWSGBZ-UHFFFAOYSA-N
-rxn:4:214296:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1,VDVASRQOYQZSPC-UHFFFAOYSA-N
-rxn:4:214349:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)cc1,LZZPTDSQGGQZCI-UHFFFAOYSA-N
-rxn:4:214630:223816,C[Si](C)(C)CCOCn1c(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc2c(Cl)ccnc21,BDFHPJDBQXTHII-UHFFFAOYSA-N
-rxn:4:214663:222684,Cn1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,ZDSCPBXUIQGCKK-UHFFFAOYSA-N
-rxn:4:214663:222835,CC(C)CC(=O)NCc1ccc(-c2cnn(C)c2C(=O)N2CCCC(C(F)(F)F)C2)cc1,OHRDBUFRYPPYFO-UHFFFAOYSA-N
-rxn:4:214682:224792,CCN1CCN(C(=O)c2ccc(F)c(-c3cc(C(F)(F)F)cnc3SCC(C)C)n2)CC1,DLWRHOZDCJEWFA-UHFFFAOYSA-N
-rxn:4:214684:222634,CN1CCN(C(=O)c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc([N+](=O)[O-])c2)CC1,GHYYPNQXPLCDIQ-UHFFFAOYSA-N
-rxn:4:214705:224818,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,NAVBTEFZCZTXSZ-UHFFFAOYSA-N
-rxn:4:214706:224818,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,NELOXRGFUYJNJC-UHFFFAOYSA-N
-rxn:4:214709:222693,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)CC1,HUTXSRQQMDBGEB-UHFFFAOYSA-N
-rxn:4:214712:222748,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cn1,WWVKPRLYXWAJHE-UHFFFAOYSA-N
-rxn:4:214719:222769,CCN1CCN(c2cc(C(F)(F)F)c(-c3ccc(C(=O)NC4CCCC4)c(F)c3)cn2)CC1,VYQJKSCVCBCREQ-UHFFFAOYSA-N
-rxn:4:214722:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(c5nccs5)CC4)c3)c(F)c2)CC1,YSOJQTNCUHLSRN-UHFFFAOYSA-N
-rxn:4:214748:224663,CN1CCN(Cc2ccc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)cc2F)CC1,XZPWSUBGERNCGV-UHFFFAOYSA-N
-rxn:4:214751:222729,CCCc1cc(-c2ccc(C#N)c(N3CCN(C(C)C)CC3)c2)cc(C2CCCNC2)n1,HRBOVURZOYJCOD-UHFFFAOYSA-N
-rxn:4:214818:226232,CN(C)CCOc1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,NOJXOELKUCEQIY-UHFFFAOYSA-N
-rxn:4:214818:226259,CCCCOc1ccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1Cl,UFLMZXTYAXSUPP-UHFFFAOYSA-N
-rxn:4:214820:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,IFOQHEJYXFARER-UHFFFAOYSA-N
-rxn:4:214836:227747,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(Cl)cc2C(F)(F)F)CCO1)N1CCSCC1,FKIPZSREMUXFBQ-UHFFFAOYSA-N
-rxn:4:214837:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,CBUDNMQFAFPNSF-UHFFFAOYSA-N
-rxn:4:214838:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,CSIAMBRULSCRGR-UHFFFAOYSA-N
-rxn:4:214838:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,RPIFUERDJIBETJ-UHFFFAOYSA-N
-rxn:4:214838:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LWZYBQPTGVXLKQ-UHFFFAOYSA-N
-rxn:4:214855:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,WJNJBOJNCANCGG-UHFFFAOYSA-N
-rxn:4:214858:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1S(=O)(=O)NC1CCCC1,HWVAFAFDBZIDEM-UHFFFAOYSA-N
-rxn:4:214859:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,OIELRQITTWEQLZ-UHFFFAOYSA-N
-rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
-rxn:4:214869:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3C)c2)CC1,BNIIKSWEKFWNEE-UHFFFAOYSA-N
-rxn:4:214873:227252,CCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,QSXATLMTBIWRNV-UHFFFAOYSA-N
-rxn:4:214890:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2Cl)CC1,QZRBHCVZJXFZKV-UHFFFAOYSA-N
-rxn:4:215103:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1,HELBJNCDKALTIK-UHFFFAOYSA-N
-rxn:4:215114:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)cc2C)CC1,ZJJICZYVKKIJBP-UHFFFAOYSA-N
-rxn:4:215146:223041,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4cc(C(=O)NC5CC5)ccc4F)c3)c2C1,WWWWMMUUYNTRHS-UHFFFAOYSA-N
-rxn:4:215148:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2,KVADCXSFAULVHP-UHFFFAOYSA-N
-rxn:4:215219:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c2)CC1,VXEKOURAVOYMEF-UHFFFAOYSA-N
-rxn:4:215228:223674,O=C(C1CCCCC1)N1CCN(c2nc3ccc(-c4ccc(COc5cc(C(F)(F)F)ccc5Cl)cc4)cc3s2)CC1,ZECCMRAUNLQPED-UHFFFAOYSA-N
-rxn:4:215293:222931,CCCN1C(=O)C2(c3cc(-c4cnc(Cl)c(N5CCCCC5O)c4)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,ZTVJIGGQISRCHR-UHFFFAOYSA-N
-rxn:4:215304:226339,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C#N)cc(Cl)c4C4CC4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,QVFGZJJUEJZNCT-UHFFFAOYSA-N
-rxn:4:215547:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)ccc3-n3cncn3)cc2[N+](=O)[O-])CC1,UQXBGCHYTVCHOK-UHFFFAOYSA-N
-rxn:4:215708:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,ZAPNKURUGBJXMQ-UHFFFAOYSA-N
-rxn:4:215900:224352,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)nc2)CC1,BKHGWZCIMIGMQC-UHFFFAOYSA-N
-rxn:4:215908:224404,CS(=O)(=O)N1CCN(c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2)CC1,VYQIYSHXXKTWBC-UHFFFAOYSA-N
-rxn:4:215922:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1c(C(=O)N2CCCCC2C)cnn1C,FOSURYDOTOKWDE-UHFFFAOYSA-N
-rxn:4:215945:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,RQGXUPKVYLUQOX-UHFFFAOYSA-N
-rxn:4:215947:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3nc(N4CCCC4)cc(C(C)(C)C)n3)cc2)CC1,OYAXHJIYIHNOTN-UHFFFAOYSA-N
-rxn:4:215948:224015,Cc1cc(F)c(-c2nc(C(C)C)cc(N3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,GTZQKQPALCTTBP-UHFFFAOYSA-N
-rxn:4:215950:222466,CCN1CCN(c2ncc(C)cc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,WISIKVRUORYMNZ-UHFFFAOYSA-N
-rxn:4:215961:224820,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,ALVWOZICGFGCCV-UHFFFAOYSA-N
-rxn:4:215969:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCN(C4CCC4)CC3)c(F)c2)CC1,SYVMVRJWMNFHSZ-YHBQERECSA-N
-rxn:4:216319:222684,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3S2(=O)=O)n1,JBQVCHKFUKEFMI-UHFFFAOYSA-N
-rxn:4:216319:223023,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(CNC(=O)N(C)C)cc4)ccc3S2(=O)=O)n1,QIIGHCUSOLDLGE-UHFFFAOYSA-N
-rxn:4:216319:225312,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc3S2(=O)=O)n1,QTPACPDIPQLIOS-UHFFFAOYSA-N
-rxn:4:216319:225313,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)nc4F)ccc3S2(=O)=O)n1,JTAIZSRZONCOCT-UHFFFAOYSA-N
-rxn:4:216319:225318,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4c(F)cc(N5CCOCC5)cc4F)ccc3S2(=O)=O)n1,JXEUZXSKIRZZPU-UHFFFAOYSA-N
-rxn:4:216319:225319,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cc(F)c(F)c(N5CCOCC5)c4)ccc3S2(=O)=O)n1,UOAMMBFXRKQYCT-UHFFFAOYSA-N
-rxn:4:216319:225320,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCOCC5)c(F)c4F)ccc3S2(=O)=O)n1,DDEMPTADAKYRLA-UHFFFAOYSA-N
-rxn:4:216319:225367,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCC(F)(F)CC5)nc4)ccc3S2(=O)=O)n1,NOLUETLOTQVQSP-UHFFFAOYSA-N
-rxn:4:216319:225372,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3S2(=O)=O)n1,JSTASDDSMNETGP-UHFFFAOYSA-N
-rxn:4:217856:223492,Cc1cc(-c2ccc3ncc(N4CCC(F)(F)C4)nc3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QSPRYFAMZXVEDH-UHFFFAOYSA-N
-rxn:4:217889:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)cc2C)CC1,ZALLYARDGPKSKL-UHFFFAOYSA-N
-rxn:4:217902:224244,CC1CCN(C(=O)c2cc(-c3c4c(c([N+](=O)[O-])c5cn[nH]c35)C(C)(C)CC4(C)C)ccc2Cl)CC1,DKAUUISVGOXBFX-UHFFFAOYSA-N
-rxn:4:218590:223063,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(F)nc(C4CCNCC4)c3)cn2)C1,UWGIKIXFVIORHG-UHFFFAOYSA-N
-rxn:4:218620:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)cc2)CC1,AVVJZTQLTFMGFM-UHFFFAOYSA-N
-rxn:4:218664:225984,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)cc1,IPGKWUHAOHIJDX-UHFFFAOYSA-N
-rxn:4:218666:225634,Cc1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)cnc1N1CCCCC1,MWJMVDVTEMWMNE-UHFFFAOYSA-N
-rxn:4:218675:226538,CCOC(=O)c1cc(Cl)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,VCAQTFCITBZTIQ-UHFFFAOYSA-N
-rxn:4:218695:226473,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccnc4OCCN(C)C)c3C)CC2)cc1,AFALYFYCGWVGPV-UHFFFAOYSA-N
-rxn:4:218710:222406,CCNC(=S)Nc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,VLWXKBDHMWKKTQ-UHFFFAOYSA-N
-rxn:4:218710:222412,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)NC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMIRGRWGVGZWPM-UHFFFAOYSA-N
-rxn:4:218710:222421,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(S(N)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YIQNQRINOGDSMO-UHFFFAOYSA-N
-rxn:4:218710:222464,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccc(C(C)C)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,INOBJXDIEYHATG-UHFFFAOYSA-N
-rxn:4:218710:222478,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)NCc5ccccc5C)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPOVULIVMLJGNN-UHFFFAOYSA-N
-rxn:4:218710:222484,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)Nc5ccc(C)cc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQCLVUMMJAVCAQ-UHFFFAOYSA-N
-rxn:4:218710:222501,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNS(=O)(=O)c5ccc(C)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NBDPBJZDLFZDJX-UHFFFAOYSA-N
-rxn:4:218710:222507,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)Nc5ccc(OC)cc5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCDWMMLXAGLAJK-UHFFFAOYSA-N
-rxn:4:218710:222509,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)Nc5cc(Cl)ccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXRDNVGIOLEMEF-UHFFFAOYSA-N
-rxn:4:218710:222532,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5cc(C)ccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CLHAQIMMPQQSNN-UHFFFAOYSA-N
-rxn:4:218710:222534,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cccc(C)c5C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZPMJQBIACJEWDJ-UHFFFAOYSA-N
-rxn:4:218710:222560,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PMLMDRCOLMYUML-UHFFFAOYSA-N
-rxn:4:218710:222567,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5Cl)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZEMRIDFFIYYTTO-UHFFFAOYSA-N
-rxn:4:218710:222587,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QJJGSRBIFHSZNG-UHFFFAOYSA-N
-rxn:4:218710:222609,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)Nc5ccc(F)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JEOXAFIYAPOJBM-UHFFFAOYSA-N
-rxn:4:218710:222617,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RGNPYEWIPRSQCV-UHFFFAOYSA-N
-rxn:4:218710:222665,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PXKHQAOBOGYNFI-UHFFFAOYSA-N
-rxn:4:218710:222666,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5ccccc5F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKMCJIBNPJLYCO-UHFFFAOYSA-N
-rxn:4:218710:222726,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNc5ccc(C)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JRZGOTKZFTVIHS-UHFFFAOYSA-N
-rxn:4:218710:222763,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccncc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OJOVWTDXWMAKCQ-UHFFFAOYSA-N
-rxn:4:218710:222767,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)c5cccnc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NWPIIBVSZGKIOL-UHFFFAOYSA-N
-rxn:4:218710:222773,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DECGACSFNVBUQC-UHFFFAOYSA-N
-rxn:4:218710:222817,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(S(=O)(=O)NC5CC5)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VYNUCJIWJJELAP-UHFFFAOYSA-N
-rxn:4:218710:222862,CCCCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,QGZXCQVJYZYAAC-UHFFFAOYSA-N
-rxn:4:218710:222863,CCCCNC(=O)c1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1Cl,WYWLAEHPPLUQPW-UHFFFAOYSA-N
-rxn:4:218710:222884,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SDOUHACDLXFDFL-UHFFFAOYSA-N
-rxn:4:218710:222934,CCNC(=O)c1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc([N+](=O)[O-])c1,IAORWUKBJXKWHK-UHFFFAOYSA-N
-rxn:4:218710:222974,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BFFWXDWMTACQGP-UHFFFAOYSA-N
-rxn:4:218710:222989,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AAVVBTBQCIDDQW-UHFFFAOYSA-N
-rxn:4:218710:223018,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)NC(=O)C(C)(C)O5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JKOMJDFSQOPQQC-UHFFFAOYSA-N
-rxn:4:218710:223026,CCCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,SQJDOIGUFNEANN-UHFFFAOYSA-N
-rxn:4:218710:223044,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JNHAKUZHNBUKRE-UHFFFAOYSA-N
-rxn:4:218710:223054,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCC(O)C5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FQTZUVIAFUMKST-UHFFFAOYSA-N
-rxn:4:218710:223055,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUWGNXZCEYWMEP-UHFFFAOYSA-N
-rxn:4:218710:223065,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JGRNWDIXRKHDDX-UHFFFAOYSA-N
-rxn:4:218710:223075,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NS(=O)(=O)C5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MWNGWJLTISTZFE-UHFFFAOYSA-N
-rxn:4:218710:223110,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IBILCTVYSNFNDD-UHFFFAOYSA-N
-rxn:4:218710:223116,C#CCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,LBWRCJIRBFKFJB-UHFFFAOYSA-N
-rxn:4:218710:223127,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC5CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JKRJPNDAHBYDHZ-UHFFFAOYSA-N
-rxn:4:218710:223157,CCNC(=O)c1cc(F)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,KVOGDCKEJDZJHV-UHFFFAOYSA-N
-rxn:4:218710:223160,CCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)c1,GKEUGAJYIFWWGJ-UHFFFAOYSA-N
-rxn:4:218710:223170,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NTDWAUZYIZUMNE-UHFFFAOYSA-N
-rxn:4:218710:223185,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CNCCO5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBOJRVSBNPISKN-UHFFFAOYSA-N
-rxn:4:218710:223190,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4S(=O)(=O)NC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RLWFCFFSVHTGGC-UHFFFAOYSA-N
-rxn:4:218710:223195,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NDLIVSWJXAMQCF-UHFFFAOYSA-N
-rxn:4:218710:223205,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(C#N)cccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NSVWLFDHDFVBCS-UHFFFAOYSA-N
-rxn:4:218710:223213,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccc5[nH]nc(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GDUWVUQWSPFFLX-UHFFFAOYSA-N
-rxn:4:218710:223229,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(NC(C)=O)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOLPFFPMJWWDOW-UHFFFAOYSA-N
-rxn:4:218710:223242,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKOVVZKIPMRERS-UHFFFAOYSA-N
-rxn:4:218710:223246,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c5[nH]ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZZHLDWDAMBZQHU-UHFFFAOYSA-N
-rxn:4:218710:223263,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)NC)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RUJBAPSOCATMLB-UHFFFAOYSA-N
-rxn:4:218710:223268,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(C(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BWWYOVVXFBQUDV-UHFFFAOYSA-N
-rxn:4:218710:223285,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JNMGSEHJTYMYJG-UHFFFAOYSA-N
-rxn:4:218710:223288,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GUDIVSMKGJESMQ-UHFFFAOYSA-N
-rxn:4:218710:223295,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YJEYBRSXOOGUPG-UHFFFAOYSA-N
-rxn:4:218710:223297,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(C)ccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JLPMHQCZSSPTAY-UHFFFAOYSA-N
-rxn:4:218710:223314,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]ncc5c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMOZZBHMROMZEM-UHFFFAOYSA-N
-rxn:4:218710:223336,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]ccc5c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QEJAGGISFXWHMO-UHFFFAOYSA-N
-rxn:4:218710:223341,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CC(=O)N5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XIHJERRGJAPNMN-UHFFFAOYSA-N
-rxn:4:218710:223374,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(Cl)n[nH]c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PSSNRTOPCGGOQC-UHFFFAOYSA-N
-rxn:4:218710:223422,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(/C=N/O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LPXVLYVLYCIKAP-BIZUNTBRSA-N
-rxn:4:218710:223499,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KXMJCLALQRMCPK-UHFFFAOYSA-N
-rxn:4:218710:223501,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RRDJICMDSYYYQQ-UHFFFAOYSA-N
-rxn:4:218710:223521,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HHIBZZMFKKQRPB-UHFFFAOYSA-N
-rxn:4:218710:223524,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccc(OC)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CMIKUWBHCNGTGU-UHFFFAOYSA-N
-rxn:4:218710:223531,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ALUNCVGDZYKVLP-UHFFFAOYSA-N
-rxn:4:218710:223559,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZIAHQJGSFBQHGC-UHFFFAOYSA-N
-rxn:4:218710:223560,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cc(C(=O)OC)c6ccccc6n5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPJGFTDKZSBVNL-UHFFFAOYSA-N
-rxn:4:218710:223594,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFKKKADKMCGVDR-UHFFFAOYSA-N
-rxn:4:218710:223597,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KUWBLBNRUOUEJS-UHFFFAOYSA-N
-rxn:4:218710:223632,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(COc5ccc(Cl)c6ccccc56)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GBFQQZFJKVJSLQ-UHFFFAOYSA-N
-rxn:4:218710:223655,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HFSBDEILITWJTB-UHFFFAOYSA-N
-rxn:4:218710:223678,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)cc(OCc5ccccc5)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BPNZKKCLBQNXGY-UHFFFAOYSA-N
-rxn:4:218710:223718,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OCc5ccccc5)ccc5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MINGYQASYYWHRY-UHFFFAOYSA-N
-rxn:4:218710:223737,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IDLBQTXQXHMNPE-UHFFFAOYSA-N
-rxn:4:218710:223746,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#Cc5ccc(C(=O)OC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AQYVITULXAPRLZ-UHFFFAOYSA-N
-rxn:4:218710:223773,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cccc(OC)c5n4C(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FDJTZQWTXPJORX-UHFFFAOYSA-N
-rxn:4:218710:223780,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4ccn5S(=O)(=O)c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CBUGIMIPQSSNLA-UHFFFAOYSA-N
-rxn:4:218710:223871,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N(C)Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NHEWWLQMJBPDHS-UHFFFAOYSA-N
-rxn:4:218710:223874,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OCc5ccccc5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SSIROZSPZNLVKS-UHFFFAOYSA-N
-rxn:4:218710:223909,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OCc5ccccc5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XCQVAXHUNSGGCC-UHFFFAOYSA-N
-rxn:4:218710:223912,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(Cl)c4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FDXMGOCCGFERDR-UHFFFAOYSA-N
-rxn:4:218710:223926,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IAKDEMLGBOLNIH-UHFFFAOYSA-N
-rxn:4:218710:223941,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NVPZDTBUFYNZSI-UHFFFAOYSA-N
-rxn:4:218710:223948,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NNKCECFDUJYFBH-UHFFFAOYSA-N
-rxn:4:218710:223949,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)C)nc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FPEBYKJYAPPCGB-UHFFFAOYSA-N
-rxn:4:218710:223957,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IHZZOJYDXZPSEM-UHFFFAOYSA-N
-rxn:4:218710:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2F)CC1,BDSPADAKVGCNPT-UHFFFAOYSA-N
-rxn:4:218710:223996,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C)CC5)cc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HMWJQAMKAHBWLK-UHFFFAOYSA-N
-rxn:4:218710:224011,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PZPPGZXXFQSTOF-UHFFFAOYSA-N
-rxn:4:218710:224041,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CN4CCc5ccccc54)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SJYRWPOBHQHCJV-UHFFFAOYSA-N
-rxn:4:218710:224042,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCc6ccccc65)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WEUKKNUVROXRLM-UHFFFAOYSA-N
-rxn:4:218710:224076,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PEJHCIZTYCENII-UHFFFAOYSA-N
-rxn:4:218710:224077,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn([Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YABAESFJJUDQMS-UHFFFAOYSA-N
-rxn:4:218710:224089,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCC(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFRKMHNTFKRNGJ-UHFFFAOYSA-N
-rxn:4:218710:224092,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PEIRZZHNUQDNSG-UHFFFAOYSA-N
-rxn:4:218710:224103,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BJHYFOCXBMVTQK-UHFFFAOYSA-N
-rxn:4:218710:224110,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccc(OC)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LRGIBSJBTARVOQ-UHFFFAOYSA-N
-rxn:4:218710:224112,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCZURUDDOTWCMQ-UHFFFAOYSA-N
-rxn:4:218710:224119,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5ccccc5)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YMWCULLQMNOPJZ-UHFFFAOYSA-N
-rxn:4:218710:224131,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(CN(C)c5ccccc5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XTDGADDKMKVAJC-UHFFFAOYSA-N
-rxn:4:218710:224135,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(C(=O)OC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FIAOODJBYYEYMI-UHFFFAOYSA-N
-rxn:4:218710:224178,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCCN5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BXSZCELARJLUNZ-UHFFFAOYSA-N
-rxn:4:218710:224180,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCCN4CCN(C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VMCIXOHBOBTFHE-UHFFFAOYSA-N
-rxn:4:218710:224248,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YDQUNLFVTGONOT-UHFFFAOYSA-N
-rxn:4:218710:224267,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCC6(CC5)OCCO6)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXZFPYJJHCGVJG-UHFFFAOYSA-N
-rxn:4:218710:224358,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)nc5ccc(OC)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NYRZLRGAAATWEA-UHFFFAOYSA-N
-rxn:4:218710:224373,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NOENZDVUTXGIIS-UHFFFAOYSA-N
-rxn:4:218710:224394,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MNBGJZBQHFOOBA-UHFFFAOYSA-N
-rxn:4:218710:224395,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BIXLMYARXVYSKF-UHFFFAOYSA-N
-rxn:4:218710:224399,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)cc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LLHGZSROUTUTEP-UHFFFAOYSA-N
-rxn:4:218710:224400,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YGAVLSRXSMEQET-UHFFFAOYSA-N
-rxn:4:218710:224401,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5COCCO5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YNYZORXMRWSSMF-UHFFFAOYSA-N
-rxn:4:218710:224403,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ODCSNZJIQCWQEX-UHFFFAOYSA-N
-rxn:4:218710:224406,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VDGWNZJHGYGKGU-UHFFFAOYSA-N
-rxn:4:218710:224430,CCC(C)Oc1ccc2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc2c1,YJAOEBZINUPSSE-UHFFFAOYSA-N
-rxn:4:218710:224462,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PAMXVQKKVQJEBM-UHFFFAOYSA-N
-rxn:4:218710:224503,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OCc5ccccc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBULNXMJYPHGMY-UHFFFAOYSA-N
-rxn:4:218710:224504,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5cccnc5)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HTMRVPIMFCKZFP-UHFFFAOYSA-N
-rxn:4:218710:224520,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COc4ccccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BIGLRCNPQFGHLP-UHFFFAOYSA-N
-rxn:4:218710:224529,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(COc5ccc(Cl)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LMIKCANISDLEFA-UHFFFAOYSA-N
-rxn:4:218710:224549,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PJFBETVTPKRHNS-UHFFFAOYSA-N
-rxn:4:218710:224566,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5(C(=O)OC)CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IMPMHSKQHXSMKP-UHFFFAOYSA-N
-rxn:4:218710:224582,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCN(C6CC6)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MFRUHNFPUQSLSW-UHFFFAOYSA-N
-rxn:4:218710:224615,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCCN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PABBDTXGOLYHGL-UHFFFAOYSA-N
-rxn:4:218710:224617,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HMDKHBKJCYFJSV-UHFFFAOYSA-N
-rxn:4:218710:224619,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCCC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUOCZBUVJXQVPF-UHFFFAOYSA-N
-rxn:4:218710:224640,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccc5OC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFXZJXQYYDFYKG-UHFFFAOYSA-N
-rxn:4:218710:224725,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(S(=O)(=O)N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,POXIFWMJLSZSRL-UHFFFAOYSA-N
-rxn:4:218710:224741,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)cc(C5OCCO5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LVHONGZTUASDOZ-UHFFFAOYSA-N
-rxn:4:218710:224769,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)cc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CMGWLOKEZAXILT-UHFFFAOYSA-N
-rxn:4:218710:224772,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BKVJRSLMJCAKFE-UHFFFAOYSA-N
-rxn:4:218710:224780,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCOC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YNKNXOHMPVKONF-UHFFFAOYSA-N
-rxn:4:218710:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,WZDITHWDXBWKPV-UHFFFAOYSA-N
-rxn:4:218710:224822,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5cncs5)cc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DPNARYKDIJYZFS-UHFFFAOYSA-N
-rxn:4:218710:224844,CCc1ccc(-c2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2)cc1,JOSSAHMHKGQEHG-UHFFFAOYSA-N
-rxn:4:218710:224853,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCC(C)(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RYPJBJFRXSFHEN-UHFFFAOYSA-N
-rxn:4:218710:224864,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C(C)C)C(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NRBZKASWVBKHIG-UHFFFAOYSA-N
-rxn:4:218710:224908,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Oc5cccc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NEDWNDLVBPUERC-UHFFFAOYSA-N
-rxn:4:218710:224916,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC(C)C5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXXAMYYYVWOMOU-UHFFFAOYSA-N
-rxn:4:218710:224949,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(CN5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFZKBRIDWIGVRB-UHFFFAOYSA-N
-rxn:4:218710:224954,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OOIFFOPXSKRMEG-UHFFFAOYSA-N
-rxn:4:218710:224955,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5cccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CGIHPOSPKWNXHH-UHFFFAOYSA-N
-rxn:4:218710:224970,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JBJSRWIHFXALOU-UHFFFAOYSA-N
-rxn:4:218710:224972,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5nccc5C5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MIFIXFMXVQQIEY-UHFFFAOYSA-N
-rxn:4:218710:224975,CCN1CCN(c2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2)CC1,SOTLCKLZHYAVEO-UHFFFAOYSA-N
-rxn:4:218710:224983,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)cc4-n4cccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BBCRMZLGUPGNGH-UHFFFAOYSA-N
-rxn:4:218710:224987,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccn5)cc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXAXVVTYGNKEIE-UHFFFAOYSA-N
-rxn:4:218710:225005,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CIQLETMXYQEQDI-UHFFFAOYSA-N
-rxn:4:218710:225038,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Oc5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DVPGISDVMUARQA-UHFFFAOYSA-N
-rxn:4:218710:225042,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccc5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGZWFZQEIVBZQL-UHFFFAOYSA-N
-rxn:4:218710:225044,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WLSGHMCUVWMUDJ-UHFFFAOYSA-N
-rxn:4:218710:225054,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DITQMXNTXBVPFE-UHFFFAOYSA-N
-rxn:4:218710:225071,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MEHPXYHUEYIRBM-UHFFFAOYSA-N
-rxn:4:218710:225104,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)N(CC)CC)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MQOSLTOQYMRDNS-UHFFFAOYSA-N
-rxn:4:218710:225108,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(CC)CC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BQTDKGJRWAUBSC-UHFFFAOYSA-N
-rxn:4:218710:225113,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)OOC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DFPPTSCVVQMYNN-UHFFFAOYSA-N
-rxn:4:218710:225162,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MXCBBQYMGLFMEQ-UHFFFAOYSA-N
-rxn:4:218710:225185,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5cccc(Cl)c5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WWYJHMQRHVGKAT-UHFFFAOYSA-N
-rxn:4:218710:225213,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CPCLOEMOJUOOFP-UHFFFAOYSA-N
-rxn:4:218710:225216,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cncc(C)n5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KRZAUQFHWPZEBP-UHFFFAOYSA-N
-rxn:4:218710:225217,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC(C)C5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FZJZGQLQGYPTPW-UHFFFAOYSA-N
-rxn:4:218710:225225,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccccc5C)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OTKUBDKSELFMOM-UHFFFAOYSA-N
-rxn:4:218710:225262,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GASZFZYGFUJUSZ-UHFFFAOYSA-N
-rxn:4:218710:225277,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(C(=O)OC)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VVHBUEHERQXVTO-UHFFFAOYSA-N
-rxn:4:218710:225302,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)ncc4C(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YFYZOPALZHCCCX-UHFFFAOYSA-N
-rxn:4:218710:225311,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)c(C5CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BWYQYVDRECQNGW-UHFFFAOYSA-N
-rxn:4:218710:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,GTYKNWRVMYKFHR-UHFFFAOYSA-N
-rxn:4:218710:225368,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OC(F)(F)C(F)(F)O5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AICJKHYQRTUPIE-UHFFFAOYSA-N
-rxn:4:218710:225377,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(F)F)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IQALATDQDWFECN-UHFFFAOYSA-N
-rxn:4:218710:225400,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(-c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HGUMIQYXYSRAPA-UHFFFAOYSA-N
-rxn:4:218710:225401,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5ccccc5)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VATWZLRQIPBJNV-UHFFFAOYSA-N
-rxn:4:218710:225402,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccccc5)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SRJGVJOMJRMTBU-UHFFFAOYSA-N
-rxn:4:218710:225403,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4-c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LYHDPKCLQGHQHG-UHFFFAOYSA-N
-rxn:4:218710:225429,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4OCCC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YKIFYMHIRXROIJ-UHFFFAOYSA-N
-rxn:4:218710:225456,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZKMUHSKEISOODN-UHFFFAOYSA-N
-rxn:4:218710:225465,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MMRLFLBCKMGGAB-UHFFFAOYSA-N
-rxn:4:218710:225490,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccccc5F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UNDUEEDKNHWMTG-UHFFFAOYSA-N
-rxn:4:218710:225507,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCC5C(=O)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IPTIUTSLYJHNDG-UHFFFAOYSA-N
-rxn:4:218710:225536,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC(C)C)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FSIFHQRIQAWIMW-UHFFFAOYSA-N
-rxn:4:218710:225560,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(COC5CCOC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PZVMHEBTIFGDMG-UHFFFAOYSA-N
-rxn:4:218710:225611,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCC5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TZCVWGDWQPSMIT-UHFFFAOYSA-N
-rxn:4:218710:225620,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,STJUTDVTRPYFCG-UHFFFAOYSA-N
-rxn:4:218710:225633,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BVQACRIJAGAZPW-UHFFFAOYSA-N
-rxn:4:218710:225681,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-c5ccccc5F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JWUCFHOBGLFGPR-UHFFFAOYSA-N
-rxn:4:218710:225683,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCOC5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XSJLMKYSZBBMAV-UHFFFAOYSA-N
-rxn:4:218710:225694,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4-c4ccccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HCAYDKMCIIAEOE-UHFFFAOYSA-N
-rxn:4:218710:225704,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5nc(C)n(CC)c5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TYWWAFAEHGMTFW-UHFFFAOYSA-N
-rxn:4:218710:225708,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(Cl)ccc5nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VSONMKCPONNERN-UHFFFAOYSA-N
-rxn:4:218710:225724,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KOWWDOWUGWWUCJ-UHFFFAOYSA-N
-rxn:4:218710:225743,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(CC(=O)OC)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DGNNSIRFAACPKZ-UHFFFAOYSA-N
-rxn:4:218710:225771,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(OC(C)C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZYCCSSDLBWAPCG-UHFFFAOYSA-N
-rxn:4:218710:225783,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4-n4cccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PIPOARUMDUUOCB-UHFFFAOYSA-N
-rxn:4:218710:225787,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(Cc5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OTRZBTSBTCVUDP-UHFFFAOYSA-N
-rxn:4:218710:225805,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCOCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTSCWYYQCAERCP-UHFFFAOYSA-N
-rxn:4:218710:225810,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4C4OCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XBHYJTYGESRFMG-UHFFFAOYSA-N
-rxn:4:218710:225815,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)cc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OMSUBSQEZZRFPV-UHFFFAOYSA-N
-rxn:4:218710:225818,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)(F)F)cc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RIPMNKISQTZROY-UHFFFAOYSA-N
-rxn:4:218710:225821,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GDFMRUPRBUCUGI-UHFFFAOYSA-N
-rxn:4:218710:225837,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccc(Cl)cc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RCFUUWVFOLWLBH-UHFFFAOYSA-N
-rxn:4:218710:225842,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JVILYPJUQWVCFA-UHFFFAOYSA-N
-rxn:4:218710:225843,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWQHMVWUTZYLBW-UHFFFAOYSA-N
-rxn:4:218710:225844,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccccc5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WJADETALTNGJJC-UHFFFAOYSA-N
-rxn:4:218710:225856,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(-c5cnccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGIZSMCZLUBTSE-UHFFFAOYSA-N
-rxn:4:218710:225881,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UWYCBHNIIRTREY-UHFFFAOYSA-N
-rxn:4:218710:225883,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCOCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JSWMTVGKVJASPW-UHFFFAOYSA-N
-rxn:4:218710:225886,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(ccn5S(C)(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RYZGBVWPHHMFKK-UHFFFAOYSA-N
-rxn:4:218710:225923,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC5CCCC5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQMKOFGLBALWBR-UHFFFAOYSA-N
-rxn:4:218710:225932,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HVDFRDCJUHMKQN-UHFFFAOYSA-N
-rxn:4:218710:225943,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCOCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JAKOPUVAYWWZQC-UHFFFAOYSA-N
-rxn:4:218710:225959,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cnc(C)c5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZEMMOMAMKWUHRU-UHFFFAOYSA-N
-rxn:4:218710:225965,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cc(C)cn5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JUBIIKQZKGEWTG-UHFFFAOYSA-N
-rxn:4:218710:225966,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccnc(F)c5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PNFAQFYYRBOHSS-UHFFFAOYSA-N
-rxn:4:218710:225978,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ALVJOHXJBUKAPN-UHFFFAOYSA-N
-rxn:4:218710:225985,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUDPRVHYLRSLJK-UHFFFAOYSA-N
-rxn:4:218710:225988,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cc(C5OCCO5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DCRPQPHGEHBVDH-UHFFFAOYSA-N
-rxn:4:218710:225991,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)nn4CC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FVWLTVLTPZMNLL-UHFFFAOYSA-N
-rxn:4:218710:226026,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUULUBZXJPEQIR-UHFFFAOYSA-N
-rxn:4:218710:226035,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)ccc(C(F)(F)F)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGWQAVMGEULFEB-UHFFFAOYSA-N
-rxn:4:218710:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,RJISXHVCJXXMPW-UHFFFAOYSA-N
-rxn:4:218710:226127,CCOc1ccc(C(C)C)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,LVJXILRPNRMUQV-UHFFFAOYSA-N
-rxn:4:218710:226131,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CN4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XRQQIQTYSJBUQZ-UHFFFAOYSA-N
-rxn:4:218710:226158,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4N4CCCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SHWQSLMEPKEAGO-UHFFFAOYSA-N
-rxn:4:218710:226204,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccccc5nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KLNCSJDYEMKBBV-UHFFFAOYSA-N
-rxn:4:218710:226238,CCCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C#N,NUXZPZRGUVSIGL-UHFFFAOYSA-N
-rxn:4:218710:226266,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CCC(=O)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWWXHUWOKLLIMA-UHFFFAOYSA-N
-rxn:4:218710:226354,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(C5CC5)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HEZAXXPQXCNTDY-UHFFFAOYSA-N
-rxn:4:218710:226364,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RUPMEBZFZNSYEF-UHFFFAOYSA-N
-rxn:4:218710:226369,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(-c5ccccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WFVJCRNWMGSSQJ-UHFFFAOYSA-N
-rxn:4:218710:226383,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5cnn(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IEUSJWUCTUIHDQ-UHFFFAOYSA-N
-rxn:4:218710:226392,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-n5ccc(C)n5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKVNHYJTXRBICH-UHFFFAOYSA-N
-rxn:4:218710:226422,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4N4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IQBXPGQHQLNHFM-UHFFFAOYSA-N
-rxn:4:218710:226424,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCC(C)C5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VJOCLSOBBVEHNK-UHFFFAOYSA-N
-rxn:4:218710:226430,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5nccs5)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LZSBODBAWXMPHB-UHFFFAOYSA-N
-rxn:4:218710:226435,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccc5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XUPJGBRFZAKASL-UHFFFAOYSA-N
-rxn:4:218710:226445,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccsc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,INFHDWFDLQLYTP-UHFFFAOYSA-N
-rxn:4:218710:226453,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5ccccc5F)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BLYSXGNDNNILKA-UHFFFAOYSA-N
-rxn:4:218710:226462,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ncn(CC)c5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKVKNMFUIINJRR-UHFFFAOYSA-N
-rxn:4:218710:226471,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VUOJOELEOAMXJO-UHFFFAOYSA-N
-rxn:4:218710:226536,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)ccc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LBHSLTYIFZYHNU-UHFFFAOYSA-N
-rxn:4:218710:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,ASPJXZVQYGHWSU-UHFFFAOYSA-N
-rxn:4:218710:226541,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XUYCOPYSAJXJCK-UHFFFAOYSA-N
-rxn:4:218710:226546,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVHIOHXRIKTIPA-UHFFFAOYSA-N
-rxn:4:218710:226547,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GCVHLWUSBGOUAD-UHFFFAOYSA-N
-rxn:4:218710:226553,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OC)c4C(=O)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YTBDHGCBGQHCAS-UHFFFAOYSA-N
-rxn:4:218710:226554,CCCOc1cc(F)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,WZPFXSTZZHYMAF-UHFFFAOYSA-N
-rxn:4:218710:226569,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(Cc5ccncc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FTDCAPIRBPKKBU-UHFFFAOYSA-N
-rxn:4:218710:226570,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cn5cncn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OWYDRCKQCHWWPX-UHFFFAOYSA-N
-rxn:4:218710:226583,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOKGIGGOYQXMKD-UHFFFAOYSA-N
-rxn:4:218710:226589,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)F)ncc4C(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASWYDYNHRZWNMF-UHFFFAOYSA-N
-rxn:4:218710:226659,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UHDOHLYQVACPQQ-UHFFFAOYSA-N
-rxn:4:218710:226694,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccs5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FEXYASXTZIGLEL-UHFFFAOYSA-N
-rxn:4:218710:226697,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cscn5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YRLKOAIVKWLWRY-UHFFFAOYSA-N
-rxn:4:218710:226708,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5OCCO5)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UVCPULRMEUEEFE-UHFFFAOYSA-N
-rxn:4:218710:226714,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQPOLNJHXATZIA-UHFFFAOYSA-N
-rxn:4:218710:226716,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(C(=O)OC(C)(C)C)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OVDITNOAOZZAQH-UHFFFAOYSA-N
-rxn:4:218710:226718,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(SC)c(OC)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JGOCATPBONWKRB-UHFFFAOYSA-N
-rxn:4:218710:226745,CCc1ncc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,GRNMWMACJYAOIH-UHFFFAOYSA-N
-rxn:4:218710:226779,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IDGBAQUZNYBMFI-UHFFFAOYSA-N
-rxn:4:218710:226792,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCOCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GHZRTXFGCWWAGD-UHFFFAOYSA-N
-rxn:4:218710:226798,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccn5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQCUJAKBNSCXTB-UHFFFAOYSA-N
-rxn:4:218710:226864,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HZYBGDNKAYSSQX-UHFFFAOYSA-N
-rxn:4:218710:226910,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)CC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SYUXPDAHTQPAGV-UHFFFAOYSA-N
-rxn:4:218710:226922,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(C5CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXSCMORSUYNDJM-UHFFFAOYSA-N
-rxn:4:218710:226926,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQDYFNJFCYVJTQ-UHFFFAOYSA-N
-rxn:4:218710:226935,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cncc(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQVNGQOVDDVIDR-UHFFFAOYSA-N
-rxn:4:218710:226942,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cnc(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,COABVDSUVHARGN-UHFFFAOYSA-N
-rxn:4:218710:226945,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc5cccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUOMZMVBMYYXND-UHFFFAOYSA-N
-rxn:4:218710:226955,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c5cccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WPPJYRALDDFARE-UHFFFAOYSA-N
-rxn:4:218710:226956,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C)ccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AVZGEDKFVQFRCW-UHFFFAOYSA-N
-rxn:4:218710:226958,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccc(C)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NVCUBWFITNICSG-UHFFFAOYSA-N
-rxn:4:218710:226974,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)COC5(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FWUWLPDSWOTEJA-UHFFFAOYSA-N
-rxn:4:218710:226990,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCN(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GVKQZEKDFVROLM-UHFFFAOYSA-N
-rxn:4:218710:227048,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)C(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWFLUPUZOKPPMP-UHFFFAOYSA-N
-rxn:4:218710:227054,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GWFIRAVHVAFCII-UHFFFAOYSA-N
-rxn:4:218710:227070,CCOc1cc(C)c(C)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,GQBWPMZEVAUVKX-UHFFFAOYSA-N
-rxn:4:218710:227078,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JOTHQHBUCCVANV-UHFFFAOYSA-N
-rxn:4:218710:227120,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXHOXQWMHZCABQ-UHFFFAOYSA-N
-rxn:4:218710:227145,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(OC)cccc5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DFSUWTZFOPNITR-UHFFFAOYSA-N
-rxn:4:218710:227155,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5cnn(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XAVLNRIJNMTERK-UHFFFAOYSA-N
-rxn:4:218710:227166,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OCCN5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RCKZLILSRWZBDR-UHFFFAOYSA-N
-rxn:4:218710:227170,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5ccccc5c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YJJPGWOCOFHJFT-UHFFFAOYSA-N
-rxn:4:218710:227176,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccnc(Cl)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWWBFIFEDDLPQS-UHFFFAOYSA-N
-rxn:4:218710:227180,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(Cl)ncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YVLPYDYVQFRXRE-UHFFFAOYSA-N
-rxn:4:218710:227183,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CN(C)C5=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FZWVHBLBEPKRQH-UHFFFAOYSA-N
-rxn:4:218710:227209,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OC(C)(C)O5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QTRMKHLWSBYWNT-UHFFFAOYSA-N
-rxn:4:218710:227239,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC(=O)OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FHOXSTVFASTAOU-UHFFFAOYSA-N
-rxn:4:218710:227261,CCCOc1ccc(F)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,QOJUOGIIMYZXTF-UHFFFAOYSA-N
-rxn:4:218710:227269,CCOc1cccc(OC)c1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,HICGANBADUOMNL-UHFFFAOYSA-N
-rxn:4:218710:227310,CCC(C)c1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1Cl,CNZHKHAISVRFRE-UHFFFAOYSA-N
-rxn:4:218710:227336,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CXQQQRPJHMCNKW-UHFFFAOYSA-N
-rxn:4:218710:227340,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SGBWQVBUEDVLMW-UHFFFAOYSA-N
-rxn:4:218710:227348,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OYPFWCYDZNUPCS-UHFFFAOYSA-N
-rxn:4:218710:227367,CCOc1cc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,LUBHCPIMQRCESO-UHFFFAOYSA-N
-rxn:4:218710:227386,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C5CCCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YUAWDCOFMVDVMA-UHFFFAOYSA-N
-rxn:4:218710:227464,CCCCSc1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,UDZWYISQRQYBID-UHFFFAOYSA-N
-rxn:4:218710:227465,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(OCCOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UYEUWXAAKRAVDG-UHFFFAOYSA-N
-rxn:4:218710:227541,CCOc1cc(F)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,IUIVEWJAGKCFRL-UHFFFAOYSA-N
-rxn:4:218710:227553,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LRGFHMRUDIYCIJ-UHFFFAOYSA-N
-rxn:4:218710:227564,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(Cl)ccc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,APVICAZJWZCRKE-UHFFFAOYSA-N
-rxn:4:218710:227596,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BEAGECKBWCNWPJ-UHFFFAOYSA-N
-rxn:4:218710:227623,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFIZCJMXZDZMLG-UHFFFAOYSA-N
-rxn:4:218710:227637,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccoc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSDBEMOAUQQHIT-UHFFFAOYSA-N
-rxn:4:218710:227657,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QPHOKFQDMRHKQZ-UHFFFAOYSA-N
-rxn:4:218710:227789,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)nc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HDIATYQBYXZKEG-UHFFFAOYSA-N
-rxn:4:218710:227803,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4S(=O)(=O)N(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVYFIQMRTBNNON-UHFFFAOYSA-N
-rxn:4:218710:227814,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MWTFYLVHPHUGGH-UHFFFAOYSA-N
-rxn:4:218710:227828,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5CC5)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LTGABGHVHQLFSZ-UHFFFAOYSA-N
-rxn:4:218710:227829,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C4CCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DOJIBBHRFNWGNS-UHFFFAOYSA-N
-rxn:4:218710:227830,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BXYDRYGNJVXPCQ-UHFFFAOYSA-N
-rxn:4:218710:227835,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CXDVPLBYOQUMQS-UHFFFAOYSA-N
-rxn:4:218710:227838,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPORJLSRVPTLSV-UHFFFAOYSA-N
-rxn:4:218710:227839,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UNAKFULXKYOYGF-UHFFFAOYSA-N
-rxn:4:218710:227868,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OCCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IEECLVXPKAYBNY-UHFFFAOYSA-N
-rxn:4:218710:227877,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5sc(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LXEMIKIMCBXGPH-UHFFFAOYSA-N
-rxn:4:218710:227888,CCCSc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,XYLNUFQBLSDDAM-UHFFFAOYSA-N
-rxn:4:218710:227910,CCC(C)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,RRGFZSKQUFSFSI-UHFFFAOYSA-N
-rxn:4:218710:227911,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C#N,IBIGXBPFNWOADT-UHFFFAOYSA-N
-rxn:4:218710:227926,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QNKCYNNBVLKFHA-UHFFFAOYSA-N
-rxn:4:218710:227942,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(OC)c1,VRKUUIYWUVKEKF-UHFFFAOYSA-N
-rxn:4:218710:227954,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UKTCBZIPFLUWFN-UHFFFAOYSA-N
-rxn:4:218710:227973,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FOBBUOUIGMSKPR-UHFFFAOYSA-N
-rxn:4:218710:227975,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc([Si](C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ISNANHMFWWOBIB-UHFFFAOYSA-N
-rxn:4:218710:228024,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cnn(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IVBHOTDQTVFBSK-UHFFFAOYSA-N
-rxn:4:218710:228029,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cn(C)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YNGHZCXTEJVAOP-UHFFFAOYSA-N
-rxn:4:218710:228044,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cn5ccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZNSUVLOHJNTMAL-UHFFFAOYSA-N
-rxn:4:218710:228050,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc5ccn(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AGSSPLNWZBHYFY-UHFFFAOYSA-N
-rxn:4:218710:228055,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4nc5ccccc5n4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LYPZSMPCUGEGMM-UHFFFAOYSA-N
-rxn:4:218710:228082,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4CCC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VEPBSFJMKNSUJO-UHFFFAOYSA-N
-rxn:4:218710:228109,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc(C#N)n1,VRTNBOFYFOTPCH-UHFFFAOYSA-N
-rxn:4:218710:228111,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DPAHYXYDFNTBIU-UHFFFAOYSA-N
-rxn:4:218710:228115,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JLMXCBVNSSHXQI-UHFFFAOYSA-N
-rxn:4:218710:228119,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MCCIKSSOMIDAHY-UHFFFAOYSA-N
-rxn:4:218710:228148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CXTPHVKEEHXMLP-UHFFFAOYSA-N
-rxn:4:218710:228149,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C(=O)OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DJZKYIJOZHNWIF-UHFFFAOYSA-N
-rxn:4:218710:228156,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BXFITYUCLANOKY-UHFFFAOYSA-N
-rxn:4:218710:228169,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1Cl,GSQLAEBVRSGHHV-UHFFFAOYSA-N
-rxn:4:218710:228178,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(COC)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WEYPBLDQRCBJBF-UHFFFAOYSA-N
-rxn:4:218710:228184,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(SC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MLPMURXHFUTQBK-UHFFFAOYSA-N
-rxn:4:218710:228211,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCC5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RUOLVMCQDAUWCU-UHFFFAOYSA-N
-rxn:4:218710:228233,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)=O)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BTIQDBAIIKTBLX-UHFFFAOYSA-N
-rxn:4:218710:228242,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(F)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQPWVQLFBCFJMD-UHFFFAOYSA-N
-rxn:4:218710:228246,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)=O)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NKVNYGCCQLURSV-UHFFFAOYSA-N
-rxn:4:218710:228262,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(Cl)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AHBGMLSQEXGWEA-UHFFFAOYSA-N
-rxn:4:218710:228270,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(Cl)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IFXHDMSFWUDDRN-UHFFFAOYSA-N
-rxn:4:218710:228316,CCOc1ncc(Cl)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,XJALCFCGLBVLDF-UHFFFAOYSA-N
-rxn:4:218710:228321,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXKLRJXCFNEJNE-UHFFFAOYSA-N
-rxn:4:218710:228327,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSTRNNOSLPDWOD-UHFFFAOYSA-N
-rxn:4:218710:228353,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)C)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWTIFKMYWWZVRN-UHFFFAOYSA-N
-rxn:4:218710:228470,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXMSKYWGFGAFSJ-UHFFFAOYSA-N
-rxn:4:218710:228471,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZQINEYNSEYYFJK-UHFFFAOYSA-N
-rxn:4:218710:228486,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZYYJUJAMNPSLCC-UHFFFAOYSA-N
-rxn:4:218710:228487,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(F)c4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YEJBPCYNAHNBHN-UHFFFAOYSA-N
-rxn:4:218710:228495,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(CC(F)(F)F)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RARVYWCBCLXAQL-UHFFFAOYSA-N
-rxn:4:218710:228517,CC#Cc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,XWVLQTRBQFESTQ-UHFFFAOYSA-N
-rxn:4:218710:228541,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)COC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BJONRZSPXPZHOM-UHFFFAOYSA-N
-rxn:4:218710:228549,CCCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,JALHRQVZAVEUKV-UHFFFAOYSA-N
-rxn:4:218710:228561,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CSC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SXPGSZPIHKXEHD-UHFFFAOYSA-N
-rxn:4:218710:228564,CCC(C)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)s1,DNPGCLDVHJDXRR-UHFFFAOYSA-N
-rxn:4:218710:228615,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WJPNNNWTHLTEKW-UHFFFAOYSA-N
-rxn:4:218710:228616,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ORHGLCPRWVUFEE-UHFFFAOYSA-N
-rxn:4:218710:228619,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1F,VZQXCEZJGMWMKR-UHFFFAOYSA-N
-rxn:4:218710:228624,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(SC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GDDNSPUUGAKXTJ-UHFFFAOYSA-N
-rxn:4:218710:228640,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MWGWCOLAHGYDHZ-UHFFFAOYSA-N
-rxn:4:218710:228687,CCSc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,FNXVDLSKQSVCSM-UHFFFAOYSA-N
-rxn:4:218710:228701,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUOGZWMVHNWTDD-UHFFFAOYSA-N
-rxn:4:218710:228704,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)nn(CC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IIHFKOQFKIMLFM-UHFFFAOYSA-N
-rxn:4:218710:228705,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4N(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NIANYUJLPJJIRS-UHFFFAOYSA-N
-rxn:4:218710:228734,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LTZZPLPFTHATCX-UHFFFAOYSA-N
-rxn:4:218710:228764,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VLUCLWFARSBUCG-UHFFFAOYSA-N
-rxn:4:218710:228799,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Cl)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LBFHOANLZZUEAW-UHFFFAOYSA-N
-rxn:4:218710:228903,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ANCGPNAYXZYMMT-UHFFFAOYSA-N
-rxn:4:218710:228909,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ncc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DYWLJHNMZDLRDO-UHFFFAOYSA-N
-rxn:4:218710:228920,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(SC)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KDBFPBFIRRXOIB-UHFFFAOYSA-N
-rxn:4:218710:228921,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)F)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FNCGUIWGBHGEDZ-UHFFFAOYSA-N
-rxn:4:218710:228977,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NXPGJQCISKJVEP-UHFFFAOYSA-N
-rxn:4:218710:228978,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,YRGAKEDMMDWVJX-UHFFFAOYSA-N
-rxn:4:218710:228996,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccn1,ZFBQSYHBFDGGHF-UHFFFAOYSA-N
-rxn:4:218710:229061,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HADYZTJUDHORTQ-UHFFFAOYSA-N
-rxn:4:218710:229073,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TZUOBLILHSKTMJ-UHFFFAOYSA-N
-rxn:4:218710:229090,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(C(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSGCUZWVYOZFJJ-UHFFFAOYSA-N
-rxn:4:218710:229098,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(F)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JLMNDZNWKRQWMZ-UHFFFAOYSA-N
-rxn:4:218710:229100,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HEMZAMWRBMMVFN-UHFFFAOYSA-N
-rxn:4:218710:229116,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OJUSRQSFQGGPQN-UHFFFAOYSA-N
-rxn:4:218710:229125,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMMWJFKRBYMDJV-UHFFFAOYSA-N
-rxn:4:218710:229150,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C#N)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KUDOUXQGKSMXMC-UHFFFAOYSA-N
-rxn:4:218710:229151,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C#N)cn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QSFNRZPQDMCCHX-UHFFFAOYSA-N
-rxn:4:218710:229197,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMSRJJNRSJPXOO-UHFFFAOYSA-N
-rxn:4:218710:229208,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ILEWPQSXCNCYBR-UHFFFAOYSA-N
-rxn:4:218710:229210,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VRTUAHGNCMAWMC-UHFFFAOYSA-N
-rxn:4:218710:229212,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HVJWOLJTCXIHIC-UHFFFAOYSA-N
-rxn:4:218710:229259,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NUKYOHDUYUGABG-UHFFFAOYSA-N
-rxn:4:218710:229262,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWHPFNJKUREQCJ-UHFFFAOYSA-N
-rxn:4:218710:229268,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(Cl)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ROWBMEKMYFSQCF-UHFFFAOYSA-N
-rxn:4:218710:229276,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)cn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CRSNMFQSJCSRBD-UHFFFAOYSA-N
-rxn:4:218710:229306,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ncc(C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PKWRAHSYTAELSB-UHFFFAOYSA-N
-rxn:4:218710:229313,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ns4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPDWOHPDYWEWJV-UHFFFAOYSA-N
-rxn:4:218711:226818,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4nccs4)cc3F)CC2)CC1,SPVNYSMGUVNBNI-UHFFFAOYSA-N
-rxn:4:218768:226619,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(N2CCCC2)nc1C,CCXWUIYYTXPHDE-UHFFFAOYSA-N
-rxn:4:218851:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,HVZQYUMDHBHXBI-UHFFFAOYSA-N
-rxn:4:218867:224460,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)c2)no1,PGKIMAALQIDRIX-UHFFFAOYSA-N
-rxn:4:218867:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2)no1,LFUFYAWWCIPQFU-UHFFFAOYSA-N
-rxn:4:218867:226691,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(N4CCCC4)c3)c2)no1,KSYYCDKPKXDISK-UHFFFAOYSA-N
-rxn:4:218868:224991,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2)no1,XARAQTHMHWSFDL-UHFFFAOYSA-N
-rxn:4:218868:226338,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCC4)c3)cc2)no1,QZKXAJSGPVDGPO-UHFFFAOYSA-N
-rxn:4:218868:226643,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)no1,CSPJFXHIKQJJDU-UHFFFAOYSA-N
-rxn:4:218887:224325,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,NVYUGFZACJEAFT-UHFFFAOYSA-N
-rxn:4:218900:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(C(=O)c5cccc(N(C)C)c5)C4)c3)c2)CC1,ALDAYTIXQXJIJJ-UHFFFAOYSA-N
-rxn:4:218903:224415,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2C#N)CC1,YBKPAFFOHHLOQT-UHFFFAOYSA-N
-rxn:4:218903:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C#N)CC1,FBIJDRLQIOWHSO-UHFFFAOYSA-N
-rxn:4:218945:224286,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cncc2[N+](=O)[O-])CC1,JFTDLDJIQDQZBT-UHFFFAOYSA-N
-rxn:4:218968:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)cc2)CC1,RUSXRFNIOAMZNT-UHFFFAOYSA-N
-rxn:4:218970:222634,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYICGTGPZCWPHW-UHFFFAOYSA-N
-rxn:4:218971:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCN(C(=O)c4sc(C)nc4C)CC3)nc2)c1,IVCSNIWYUCYWPC-UHFFFAOYSA-N
-rxn:4:218998:222584,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,XUAZLIGKFLQVEG-UHFFFAOYSA-N
-rxn:4:218998:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,CDGAWMSKUVENLY-UHFFFAOYSA-N
-rxn:4:219013:223167,CC1CN(c2c(-c3ccnc(N4CCNCC4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CHTOJZIRLKGCDI-UHFFFAOYSA-N
-rxn:4:219043:224811,CC1CN(Cc2nn(C)cc2-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C,WFFUMXAUEDUWID-UHFFFAOYSA-N
-rxn:4:219045:225357,CCOc1cc(-c2ccccc2C(=O)N2CCN(CCn3nc(C)cc3C)CC2)c(F)c(C(F)(F)F)c1,UPLKQOOKYCRDGG-UHFFFAOYSA-N
-rxn:4:219053:225878,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cc(N5CCOCC5)c4)c3)cn2)CC1,NOWREOICRJBGSI-UHFFFAOYSA-N
-rxn:4:219053:225977,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cnc4N4CCOCC4)c3)cn2)CC1,MZAQDHXJBPBAIK-UHFFFAOYSA-N
-rxn:4:219129:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccc2F)CC1,GFRDAXAVXRIJLZ-UHFFFAOYSA-N
-rxn:4:219156:222583,CCOc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc2)c(=O)c3=O)cc1,OQIOHEOKNPSRLA-UHFFFAOYSA-N
-rxn:4:219271:225716,COCCOCc1cc(F)ccc1-c1cnc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1,FVTLNWRFPVTBPR-UHFFFAOYSA-N
-rxn:4:219336:222923,Cc1ccc(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cc1S(=O)(=O)NC1CC1,UCWOQDVTXCYIKN-UHFFFAOYSA-N
-rxn:4:219353:222695,Cc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,YLOGWFPUJYJIRW-UHFFFAOYSA-N
-rxn:4:219410:223284,CS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,OHJIRHDWKNPOJL-UHFFFAOYSA-N
-rxn:4:219412:224010,COc1cnc(OC2CCN(c3ccncc3-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)nc1,QFMIISNWOPIVSK-UHFFFAOYSA-N
-rxn:4:219436:222418,N#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GLYXOGOTJWFUIF-UHFFFAOYSA-N
-rxn:4:219464:223532,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SBLZMGYWJIQJNX-UHFFFAOYSA-N
-rxn:4:219469:222723,CSc1ncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,KZTCRUGWMFXHKS-UHFFFAOYSA-N
-rxn:4:219471:222567,CSc1ncc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,RJMZNSXOHXEWKN-UHFFFAOYSA-N
-rxn:4:219479:225872,O=C(c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,IEKIFVKTDRGGHD-UHFFFAOYSA-N
-rxn:4:219498:222634,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,SPHDCXVMPNUMOD-UHFFFAOYSA-N
-rxn:4:219498:223025,CCCNC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1Cl,FAEUQNUOJMQTIM-UHFFFAOYSA-N
-rxn:4:219498:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1,PWNVBHYTSPHBSW-UHFFFAOYSA-N
-rxn:4:219498:228164,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1Cl,XDJDCWSUHLLRDX-UHFFFAOYSA-N
-rxn:4:219499:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1Cl,RCRMKTNDNOSOHH-UHFFFAOYSA-N
-rxn:4:219501:226255,CCCCOc1ccc(Cl)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,XZFMOHJPHILFEX-UHFFFAOYSA-N
-rxn:4:219539:222842,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cccc(C(=O)NC3CCCC3)c2)CC1,CFEBTDABYYMESS-UHFFFAOYSA-N
-rxn:4:219562:225745,CC(C)Cc1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)cc1[N+](=O)[O-],RQZJSUVLUCKOHL-UHFFFAOYSA-N
-rxn:4:219626:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)o1,CKVRWMKGYWAVPU-UHFFFAOYSA-N
-rxn:4:219678:225641,CC1CCCN(c2cc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)ccn2)C1,MHJJJWZZMLHHLD-UHFFFAOYSA-N
-rxn:4:219692:224997,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCCCC4)cc3)c3cnc(Cl)nc32)CC1,GFDHYWLPPKSPFK-UHFFFAOYSA-N
-rxn:4:219698:223501,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc2)c(=O)c3=O)cc1,PPWIMXOZRSSVLX-UHFFFAOYSA-N
-rxn:4:219698:223526,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc2)c(=O)c3=O)cc1,VIBTYAWQJMFZFK-UHFFFAOYSA-N
-rxn:4:219698:223598,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc2)c(=O)c3=O)cc1,CVPCNMKFOGMAFV-UHFFFAOYSA-N
-rxn:4:219698:223648,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc2)c(=O)c3=O)cc1,KSLWUOKICUPGMK-UHFFFAOYSA-N
-rxn:4:219698:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(OC)cc4)cc3)cc2C)CC1,CTEUTXOOUMLWFE-UHFFFAOYSA-N
-rxn:4:219698:223787,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cc2)c(=O)c3=O)cc1,JWHQCDROYVSYRT-UHFFFAOYSA-N
-rxn:4:219698:223839,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)cc2)c(=O)c3=O)cc1,KTOMRKNESAYHFN-UHFFFAOYSA-N
-rxn:4:219745:224767,COc1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,AEKJIJBBTUFUTO-UHFFFAOYSA-N
-rxn:4:219767:223602,CN1CCN(n2c3c(c(SCc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4)nc2=O)CCC3)CC1,RTEBFFLELGJJNU-UHFFFAOYSA-N
-rxn:4:219780:226231,CCCCOc1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc1C,MBWQLTPGGDTKKU-UHFFFAOYSA-N
-rxn:4:219850:222466,O=C(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)o1)N1CCN(c2cnsn2)CC1,XDIXMHYUFSHRNV-UHFFFAOYSA-N
-rxn:4:219856:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(n4ccnn4)CC3)o2)CC1,ZPSOZPQXVPNSMA-UHFFFAOYSA-N
-rxn:4:219929:223897,Cc1ccc(-c2c(C(=O)N3CCN(C(C)C)CC3)cnn2C)cc1OCCCN1CCOCC1,BPUWSYRMVKZRFI-UHFFFAOYSA-N
-rxn:4:219929:225379,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,GAGMZKOXSAIMCJ-UHFFFAOYSA-N
-rxn:4:219937:222542,Cc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1OCCCN1CCNCC1,JHDJJESQLAAZCI-UHFFFAOYSA-N
-rxn:4:219951:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4nccn4C)CC3)c2)CC1,KGYNDWDLGPQBNZ-UHFFFAOYSA-N
-rxn:4:219953:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCCC(c4cnn(C)c4)C3)c2)CC1,GPTREHIWEYOKFE-UHFFFAOYSA-N
-rxn:4:219957:223842,COc1cccc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cn3)CC2)c1,ZZMOWYHTZAYXSB-UHFFFAOYSA-N
-rxn:4:219957:223844,COc1cccc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)CC2)c1,GVQRVIONASBJEI-UHFFFAOYSA-N
-rxn:4:219985:223842,CCc1cnc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)CC2)nc1,NYOFOGFQLXXSFP-UHFFFAOYSA-N
-rxn:4:219988:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)cc2F)CC1,BESZSILUULPSRT-UHFFFAOYSA-N
-rxn:4:219988:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,QDSUNCDYEKXOQB-UHFFFAOYSA-N
-rxn:4:219995:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(c4ccnc(C5CC5)n4)CC3)c2)CC1,QQJKLTWFYYLNFE-UHFFFAOYSA-N
-rxn:4:219996:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)CC1,LESBXIBPLFLFPI-UHFFFAOYSA-N
-rxn:4:219997:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)CC1,QBCSJXBRJHUQMI-UHFFFAOYSA-N
-rxn:4:220131:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)CC1,VHKIXRXSZPNJIR-UHFFFAOYSA-N
-rxn:4:220135:223992,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cncn2)C3)cc1S(=O)(=O)N1CCN(C)CC1,RKUMJFRQKOHDKN-UHFFFAOYSA-N
-rxn:4:220136:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2C1,OBOXOPYNXQZYSW-UHFFFAOYSA-N
-rxn:4:220136:224672,CCN1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(Cl)c2)CC1,AKNASROJDDICGQ-UHFFFAOYSA-N
-rxn:4:220137:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(Cl)c2)CC1,NTFCEYKETMXUNW-UHFFFAOYSA-N
-rxn:4:220399:223602,CN1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cncc2[N+](=O)[O-])CC1,QJELSIXAPOTVIN-UHFFFAOYSA-N
-rxn:4:220429:225232,CC1CCN(c2cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cnc2Cl)CC1,CHEXICAHZGMWAN-UHFFFAOYSA-N
-rxn:4:220545:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)c2)CC1,ALDXWCYOXCMSEJ-UHFFFAOYSA-N
-rxn:4:221103:225061,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCC(C)CC5)cc4F)cn3)C2)cn1,TYTHUBRGZWCVGN-UHFFFAOYSA-N
-rxn:4:221108:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cnc(OCC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nc2)c1,FVFAFLLWYULTDB-UHFFFAOYSA-N
-rxn:4:221136:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nc(OC)cc(OC)n5)C4)c3)ccc2C)CC1,IVBKXVNCHTZEMD-UHFFFAOYSA-N
-rxn:4:221153:223978,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCC(COc4cc(C#N)ccn4)C3)nc2)cc1C(F)(F)F,YWLQWCCPHQMEKH-UHFFFAOYSA-N
-rxn:4:221163:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)ccc2C)CC1,XEBANGNPPGGJPJ-UHFFFAOYSA-N
-rxn:4:221170:222723,CCc1cnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1,SWMOHMBAPWSFJP-UHFFFAOYSA-N
-rxn:4:221173:222682,COc1cccc(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c1NC(=O)OC(C)(C)C,BBVXKHAJAIPZIO-UHFFFAOYSA-N
-rxn:4:221183:224759,Cc1nn(C)cc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,QSZDDRGUMMKDKG-UHFFFAOYSA-N
-rxn:4:221191:222633,Cc1cc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)nc(C2CC2)n1,VIBCRTWLLFSDOP-UHFFFAOYSA-N
-rxn:4:221194:223278,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnn(C5CCNCC5)c4)cn3)CC2)cn1C,XTOXKWWDQQWMFJ-UHFFFAOYSA-N
-rxn:4:221207:222415,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(S(N)(=O)=O)c4)cc3)CC2)n1,ODSLYUXBVAPUGH-UHFFFAOYSA-N
-rxn:4:221207:222458,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(=O)Nc5cccc([N+](=O)[O-])c5)ccc4F)cc3)CC2)n1,NBWHGHLJMNZGEJ-UHFFFAOYSA-N
-rxn:4:221207:222506,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCc5cccc(F)c5)cc4Cl)cc3)CC2)n1,NZPUZEPGBRCOCN-UHFFFAOYSA-N
-rxn:4:221207:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)c(C)c1,BIKJCWSXRVJPQT-UHFFFAOYSA-N
-rxn:4:221207:222544,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)OCc5ccccc5)cc4)cc3)CC2)n1,OTDJRCRYUDVVCS-UHFFFAOYSA-N
-rxn:4:221207:222548,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)Nc5ccc(C#N)cc5)cc4)cc3)CC2)n1,ATLMNTPHSRCXSA-UHFFFAOYSA-N
-rxn:4:221207:222562,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCc5cccc(Cl)c5)c4)cc3)CC2)n1,PUGZSQWVIZXKGT-UHFFFAOYSA-N
-rxn:4:221207:222564,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCc5ccc(Cl)cc5)c4)cc3)CC2)n1,WOQVDABTPZNWKG-UHFFFAOYSA-N
-rxn:4:221207:222565,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCc5ccccc5Cl)c4)cc3)CC2)n1,OSVBDRZNOCMWEJ-UHFFFAOYSA-N
-rxn:4:221207:222574,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(=O)NCc5ccccc5)ccc4Cl)cc3)CC2)n1,KKOGFSPNCNWHEU-UHFFFAOYSA-N
-rxn:4:221207:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)c(Cl)c1,RTOXMUCOAZEAMW-UHFFFAOYSA-N
-rxn:4:221207:222587,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,UOQFEDRUOFZAIX-UHFFFAOYSA-N
-rxn:4:221207:222628,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)n1,QALDTYCVVXFRNV-UHFFFAOYSA-N
-rxn:4:221207:222630,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,ZZKCRHRZDYZIKN-UHFFFAOYSA-N
-rxn:4:221207:222636,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,VPGCLLXXJRWXRR-AREMUKBSSA-N
-rxn:4:221207:222637,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,VPGCLLXXJRWXRR-UHFFFAOYSA-N
-rxn:4:221207:222639,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,VPGCLLXXJRWXRR-SANMLTNESA-N
-rxn:4:221207:222729,CCCc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,PTDCUUKUYGIBLV-UHFFFAOYSA-N
-rxn:4:221207:222730,CCCc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,QFGGAIXMULYIRY-UHFFFAOYSA-N
-rxn:4:221207:222732,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC5CCCCC5)cc4)cc3)CC2)n1,ORURGPJCTHZDMH-UHFFFAOYSA-N
-rxn:4:221207:222743,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCC(O)CC5)cc4)cc3)CC2)n1,RCCRFZJDCZMXGT-UHFFFAOYSA-N
-rxn:4:221207:222777,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,UCBWROZKXUGNKD-UHFFFAOYSA-N
-rxn:4:221207:222836,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)CC(C)(C)C)cc4)cc3)CC2)n1,LWDSZZGFJHCELD-UHFFFAOYSA-N
-rxn:4:221207:222852,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CN5CCC(O)CC5)c4)cc3)CC2)n1,UOBPMYPVZPEZKX-UHFFFAOYSA-N
-rxn:4:221207:222853,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCC(O)CC5)cc4)cc3)CC2)n1,ONYBUVWNOUFMIK-UHFFFAOYSA-N
-rxn:4:221207:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,YJSWAIWFQVHDOD-UHFFFAOYSA-N
-rxn:4:221207:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,WAUQXGMZDMPVMT-UHFFFAOYSA-N
-rxn:4:221207:222949,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5[nH]ncc5cc4OC(F)(F)F)cc3)CC2)n1,RBXWWPKNUBXUNU-UHFFFAOYSA-N
-rxn:4:221207:222950,CONS(=O)(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OC,LVOOZHBCQPWIBZ-UHFFFAOYSA-N
-rxn:4:221207:222959,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)c(C)c4)cc3)CC2)n1,BMFMYTUKQLEVRK-UHFFFAOYSA-N
-rxn:4:221207:222971,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)C(C)(C)C)cc4)cc3)CC2)n1,CIGUMLPRGJBFEA-UHFFFAOYSA-N
-rxn:4:221207:222978,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2)n1,DQWZENOWMLVKBA-UHFFFAOYSA-N
-rxn:4:221207:222990,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCC(O)CC5)cc4)cc3)CC2)n1,JEDVWXPVCQDHJI-UHFFFAOYSA-N
-rxn:4:221207:222991,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCC(O)C5)cc4)cc3)CC2)n1,ZHVWAJWXWFVHFB-UHFFFAOYSA-N
-rxn:4:221207:222992,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5O)cc4)cc3)CC2)n1,HTBNSKPJJLDQMF-UHFFFAOYSA-N
-rxn:4:221207:222994,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(N5CCC(O)CC5)c4)cc3)CC2)n1,VBCGGRFXSJODRF-UHFFFAOYSA-N
-rxn:4:221207:222998,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)CC2)n1,LDCSMVFCTAOUQA-UHFFFAOYSA-N
-rxn:4:221207:223004,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)c(F)c4)cc3)CC2)n1,KKBNHBFISUWFKZ-UHFFFAOYSA-N
-rxn:4:221207:223006,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)CC2)n1,SDUADCUORJTAET-UHFFFAOYSA-N
-rxn:4:221207:223042,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC(C)C)c(Cl)c4)cc3)CC2)n1,ACELVOCEWCCMDJ-UHFFFAOYSA-N
-rxn:4:221207:223043,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cc3)CC2)n1,XHMUUWWGRXXQEX-UHFFFAOYSA-N
-rxn:4:221207:223050,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)NC(C)C)c4)cc3)CC2)n1,PYAOCJQYQVAXBA-UHFFFAOYSA-N
-rxn:4:221207:223059,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)CC2)n1,QYHNSLAZKMXQJN-UHFFFAOYSA-N
-rxn:4:221207:223095,CC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1[N+](=O)[O-],VWEXAFJQOYPSRE-UHFFFAOYSA-N
-rxn:4:221207:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,MJZXRCGJUHKCNV-UHFFFAOYSA-N
-rxn:4:221207:223104,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)n1,VSDMYIFPKDNRAS-UHFFFAOYSA-N
-rxn:4:221207:223116,C#CCNC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,CXWXQWADIJYQQO-UHFFFAOYSA-N
-rxn:4:221207:223131,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCNCC5)cc4)cc3)CC2)n1,UTJSVPDOOZCVNI-UHFFFAOYSA-N
-rxn:4:221207:223142,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,QWJFZXJKYYOPBC-UHFFFAOYSA-N
-rxn:4:221207:223176,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CNS(C)(=O)=O)c4)cc3)CC2)n1,VAPCACBMRRDMRS-UHFFFAOYSA-N
-rxn:4:221207:223182,CCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,IECWRMDCKHGOIB-UHFFFAOYSA-N
-rxn:4:221207:223197,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CNC5CC5)cc4)cc3)CC2)n1,XVUIQELIOREPKR-UHFFFAOYSA-N
-rxn:4:221207:223200,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCNC5)cc4)cc3)CC2)n1,ZQKMIPDTVXOXMW-UHFFFAOYSA-N
-rxn:4:221207:223214,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)CCNC5=O)cc3)CC2)n1,XWNOJBFREHHOTP-UHFFFAOYSA-N
-rxn:4:221207:223218,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4C)NCCO5)cc3)CC2)n1,RSDLVZBHUIKZCS-UHFFFAOYSA-N
-rxn:4:221207:223226,CCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,MABOCLVVFRBKEE-UHFFFAOYSA-N
-rxn:4:221207:223252,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)c5c(c4)NCCO5)cc3)CC2)n1,NXJDMYIGICDZOD-UHFFFAOYSA-N
-rxn:4:221207:223255,CONC(=O)c1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,LWLFVOGUQVFTBL-UHFFFAOYSA-N
-rxn:4:221207:223256,COC(=O)Nc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,AGSDPUUIIYIYQG-UHFFFAOYSA-N
-rxn:4:221207:223287,CNS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,FJOOWIMTGYPDBQ-UHFFFAOYSA-N
-rxn:4:221207:223482,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,NIRCWEBOGCBUCX-UHFFFAOYSA-N
-rxn:4:221207:223492,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,CNOVVUPCFZBKDB-UHFFFAOYSA-N
-rxn:4:221207:223493,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)cc3)CC2)n1,JZOOWWCJTIVXHU-UHFFFAOYSA-N
-rxn:4:221207:223501,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,QJNRRYSUMYHHCV-UHFFFAOYSA-N
-rxn:4:221207:223505,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,BUXOYUGPQFEVNA-UHFFFAOYSA-N
-rxn:4:221207:223508,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)n1,LYNXEWBWPNNGKD-UHFFFAOYSA-N
-rxn:4:221207:223520,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,QRVMJUDBPVXLHG-UHFFFAOYSA-N
-rxn:4:221207:223521,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,VJBUXGOHFFIEMP-UHFFFAOYSA-N
-rxn:4:221207:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c3ccccc23)CC1,QAIHCCOKWMPZHN-UHFFFAOYSA-N
-rxn:4:221207:223526,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,HYCUZFWVTHKVNR-UHFFFAOYSA-N
-rxn:4:221207:223531,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,UECXMJWZHUCXCC-UHFFFAOYSA-N
-rxn:4:221207:223539,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FAGRJCDVPGENTL-UHFFFAOYSA-N
-rxn:4:221207:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc21,OGVJAWXTBLBSAM-UHFFFAOYSA-N
-rxn:4:221207:223561,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N(C(=O)OC(C)(C)C)c5ccccc5)cc4)cc3)CC2)n1,LOSKQCAZTOORQW-UHFFFAOYSA-N
-rxn:4:221207:223574,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,OTXHQOHWGAQGOJ-UHFFFAOYSA-N
-rxn:4:221207:223588,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,ZTVQPRHCRGYHGY-UHFFFAOYSA-N
-rxn:4:221207:223607,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(-c5cccc(C(F)(F)F)n5)nc(C(F)(F)F)c4)cc3)CC2)n1,BCPLHNWXFWHOBR-UHFFFAOYSA-N
-rxn:4:221207:223638,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc3)CC2)n1,YMAUDFWFQSXILN-UHFFFAOYSA-N
-rxn:4:221207:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)C1,IVMNRWNNESEKSF-UHFFFAOYSA-N
-rxn:4:221207:223649,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,SGQDKPLKJFLRJO-UHFFFAOYSA-N
-rxn:4:221207:223650,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,OXCZGDDAMRQKMG-UHFFFAOYSA-N
-rxn:4:221207:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2C)CC1,BEOGGYMCIVRKSD-UHFFFAOYSA-N
-rxn:4:221207:223683,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)CC2)n1,PEUNJCZVMXCWDO-UHFFFAOYSA-N
-rxn:4:221207:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2)CC1,QTLUMSRPDGISNY-UHFFFAOYSA-N
-rxn:4:221207:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)c1,JJRKZICMAYDKFZ-UHFFFAOYSA-N
-rxn:4:221207:223738,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5cc(O[Si](C)(C)C(C)(C)C)ccc5c4)cc3)CC2)n1,MQZNBPIMKVVEIK-UHFFFAOYSA-N
-rxn:4:221207:223739,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2)n1,XTPXSTGFXCQDIN-UHFFFAOYSA-N
-rxn:4:221207:223767,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5ccc(C#N)cc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,IVSYKAWGWFDMOU-UHFFFAOYSA-N
-rxn:4:221207:223769,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5cccc(C#N)c5n4C(=O)OC(C)(C)C)cc3)CC2)n1,VWNAJVDKTLPRAH-UHFFFAOYSA-N
-rxn:4:221207:223812,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,SXOJSQKRWPZODQ-UHFFFAOYSA-N
-rxn:4:221207:223815,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,QYZGBQKFNJEBLR-UHFFFAOYSA-N
-rxn:4:221207:223822,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)ccc4C(=O)OCC(C)(C)C)cc3)CC2)n1,OSPNOFFHEFOWPX-UHFFFAOYSA-N
-rxn:4:221207:223828,CCN1CCN(c2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc(C(F)(F)F)c2)CC1,JIFIAJPIKYKOHG-UHFFFAOYSA-N
-rxn:4:221207:223838,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCN(S(=O)(=O)N(C)C)CC5)cc4)cc3)CC2)n1,CKEJLBLSPWUFPS-UHFFFAOYSA-N
-rxn:4:221207:223846,Cc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,ORZZDXGGKVCBTK-UHFFFAOYSA-N
-rxn:4:221207:223866,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cc3)CC2)n1,ZVHOXTWAEQEDOD-UHFFFAOYSA-N
-rxn:4:221207:223873,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccccc4CCC(=O)N4CCC(C)CC4)cc3)CC2)n1,NQDRVCNGMHIVAV-UHFFFAOYSA-N
-rxn:4:221207:223900,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)cc3)CC2)n1,JPOKFNNWCXCEJA-UHFFFAOYSA-N
-rxn:4:221207:223901,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,AWMCOECSFWBCDP-UHFFFAOYSA-N
-rxn:4:221207:223911,CCOC(=O)C1(c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CCOCC1,JGZOQYYOWFCOKB-UHFFFAOYSA-N
-rxn:4:221207:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,KRSFSQSCBXHMKP-UHFFFAOYSA-N
-rxn:4:221207:223919,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3)CC2)n1,PVIVHBHXKCLSAZ-UHFFFAOYSA-N
-rxn:4:221207:223929,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3)CC2)n1,SRLYLDFYNNRTGB-UHFFFAOYSA-N
-rxn:4:221207:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2)CC1,QNRQLXYNFHDTQA-UHFFFAOYSA-N
-rxn:4:221207:223957,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)cc3)CC2)n1,NJCRXJRINLLIGW-UHFFFAOYSA-N
-rxn:4:221207:223959,CCN1CCN(C(=O)c2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc2Cl)CC1,DWNKDEIHXBLKMS-UHFFFAOYSA-N
-rxn:4:221207:223984,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Oc5ccc(F)cc5[N+](=O)[O-])cc4)cc3)CC2)n1,MLWQSUXGXPWOHQ-UHFFFAOYSA-N
-rxn:4:221207:223998,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cc3)CC2)n1,PVUSONCIKKHFTB-UHFFFAOYSA-N
-rxn:4:221207:224022,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CC2)n1,ACDKLBRPNYTGMM-UHFFFAOYSA-N
-rxn:4:221207:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,ONLBUDBUZNFVIC-OHRWXDHWSA-N
-rxn:4:221207:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,DHHPQZGWDUREHG-UNWRIRMBSA-N
-rxn:4:221207:224060,COc1c(C(C)(C)C)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C(C)(C)C,JHSGTOOMKCRASU-UHFFFAOYSA-N
-rxn:4:221207:224064,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cc3)CC2)n1,GSFCMKLEGGMIJW-UHFFFAOYSA-N
-rxn:4:221207:224077,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cn([Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2)n1,JAAJZZKZEHZLIN-UHFFFAOYSA-N
-rxn:4:221207:224088,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCCCCC5)cc4)cc3)CC2)n1,XMXGATACVRXORR-UHFFFAOYSA-N
-rxn:4:221207:224101,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(OCCN5CCC(C)CC5)c4)cc3)CC2)n1,LGFLSGHTDVXPSR-UHFFFAOYSA-N
-rxn:4:221207:224125,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cc3)CC2)n1,CEYGVPNCICJYNC-UHFFFAOYSA-N
-rxn:4:221207:224158,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,HBSJHZROEYRVLP-UHFFFAOYSA-N
-rxn:4:221207:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)CC1,VAJASIGJBDLNJS-UHFFFAOYSA-N
-rxn:4:221207:224195,CCN1CCN(Cc2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc2Cl)CC1,XRXLEUVLLYQRJC-UHFFFAOYSA-N
-rxn:4:221207:224197,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2F)CC1,USTNCEDYPANABR-UHFFFAOYSA-N
-rxn:4:221207:224268,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,ABKIFQBYVJWGKD-UHFFFAOYSA-N
-rxn:4:221207:224292,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)OCC(C)(C)C)c(C)c4)cc3)CC2)n1,GEVHRHYVQGJHQW-UHFFFAOYSA-N
-rxn:4:221207:224318,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cc3)CC2)n1,SPWCAKXJQKPKPW-UHFFFAOYSA-N
-rxn:4:221207:224327,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc3)CC2)n1,SAJKOFWCOTXIDK-UHFFFAOYSA-N
-rxn:4:221207:224349,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)n1,YIOULDLJIZTCIP-UHFFFAOYSA-N
-rxn:4:221207:224356,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,XBQRLHWYIAVHNH-UHFFFAOYSA-N
-rxn:4:221207:224373,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCCC1,WKQOEOAJGVHCBP-UHFFFAOYSA-N
-rxn:4:221207:224414,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,WOBPFWSBWCNMLL-UHFFFAOYSA-N
-rxn:4:221207:224425,CCCC1CCC(c2ccccc2-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)CC1,TUALIFDIBLCJGT-UHFFFAOYSA-N
-rxn:4:221207:224462,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc3)CC2)n1,SZMLYEWJRJDSII-UHFFFAOYSA-N
-rxn:4:221207:224471,CCOC(=O)c1cccc2c(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cccc12,KXRWCNUHHLYZSZ-UHFFFAOYSA-N
-rxn:4:221207:224472,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(Cl)c(OC(C)C)ccc5c4)cc3)CC2)n1,PDOCEDJDJMSLSL-UHFFFAOYSA-N
-rxn:4:221207:224497,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,GQBAIZMSDYQPQZ-UHFFFAOYSA-N
-rxn:4:221207:224501,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCC5CCCCN5C)cc4)cc3)CC2)n1,JIDNSSNYPJLFKF-UHFFFAOYSA-N
-rxn:4:221207:224617,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3)CC2)n1,UCMHCFXZHNDRLJ-UHFFFAOYSA-N
-rxn:4:221207:224667,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc3)CC2)n1,QKTAQMMHFKTVTN-UHFFFAOYSA-N
-rxn:4:221207:224672,CCN1CCN(c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(Cl)c2)CC1,PVAZOBFWOXOGNZ-UHFFFAOYSA-N
-rxn:4:221207:224706,CCOC(=O)c1cn2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(C)cc2n1,XNTVBOHBAFRKGU-UHFFFAOYSA-N
-rxn:4:221207:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cn2)CC1,VWRHPANTADEWJB-UHFFFAOYSA-N
-rxn:4:221207:224785,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c5ncccc45)cc3)CC2)n1,UMLHFYNPTXRLGX-UHFFFAOYSA-N
-rxn:4:221207:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,DQKSOOREWREMGI-UNWRIRMBSA-N
-rxn:4:221207:224864,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN(C(C)C)C(C)C)cc4)cc3)CC2)n1,PZRYVIPTWYBEEN-UHFFFAOYSA-N
-rxn:4:221207:224865,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)CC2)n1,BDRZQORBXPVPOV-UHFFFAOYSA-N
-rxn:4:221207:224961,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,WRHUBICIDPIREX-UHFFFAOYSA-N
-rxn:4:221207:224970,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,NKPBBANCRJUQOG-UHFFFAOYSA-N
-rxn:4:221207:224977,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)c(C#N)c4)cc3)CC2)n1,ZJNKFOMDDOLXKT-UHFFFAOYSA-N
-rxn:4:221207:224986,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3)CC2)n1,BTQRULACMGUKLG-UHFFFAOYSA-N
-rxn:4:221207:224991,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3)CC2)n1,FZVJORROLMGTKS-UHFFFAOYSA-N
-rxn:4:221207:225053,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5C)cc4F)cc3)CC2)n1,RDZSLHMJRREINY-UHFFFAOYSA-N
-rxn:4:221207:225106,CCN(CC)C(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,UUYNOYXAVOYWPT-UHFFFAOYSA-N
-rxn:4:221207:225220,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3)CC2)n1,WVZPQFRJROTYEN-UHFFFAOYSA-N
-rxn:4:221207:225309,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4Cl)cc3)CC2)n1,DDGMUBWDLCWDBF-UHFFFAOYSA-N
-rxn:4:221207:225310,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)c(Cl)cc4C4CC4)cc3)CC2)n1,FJVRLCUAKICLDN-UHFFFAOYSA-N
-rxn:4:221207:225311,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)c(C5CC5)cc4Cl)cc3)CC2)n1,INOLREBWFOBUER-UHFFFAOYSA-N
-rxn:4:221207:225323,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)c5c(cnn5C)c4)cc3)CC2)n1,IFZYQVPLJCUYCT-UHFFFAOYSA-N
-rxn:4:221207:225338,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(COCC(F)(F)F)c4)cc3)CC2)n1,VGWKUHWLXCSFON-UHFFFAOYSA-N
-rxn:4:221207:225340,CCOc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OC(F)(F)F,YAYSAYBFRPUCTC-UHFFFAOYSA-N
-rxn:4:221207:225347,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(OC(C)C)c(C(F)(F)F)c4)cc3)CC2)n1,CCKMYBZTCCIFJR-UHFFFAOYSA-N
-rxn:4:221207:225371,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cnc1C(F)(F)F,OEXANDKIKWAENQ-UHFFFAOYSA-N
-rxn:4:221207:225375,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)C(F)(F)F)cc4)cc3)CC2)n1,FVGLNQZETROXNI-UHFFFAOYSA-N
-rxn:4:221207:225408,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)CC2)n1,FGUXYMVVQLDKPD-UHFFFAOYSA-N
-rxn:4:221207:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OUZLIURVDKQCFJ-UHFFFAOYSA-N
-rxn:4:221207:225451,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)CC2)n1,QZUTXKBJBHAKHA-UHFFFAOYSA-N
-rxn:4:221207:225454,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5=CCN(C)CC5)cc4)cc3)CC2)n1,UIGYTPBZBVRDGE-UHFFFAOYSA-N
-rxn:4:221207:225507,COC(=O)C1CCc2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc21,JZJRSOVYIGFNNH-UHFFFAOYSA-N
-rxn:4:221207:225573,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CC2)c1,UQLCVUZWPMNSMH-UHFFFAOYSA-N
-rxn:4:221207:225595,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(CN5CCCC5)c4)cc3)CC2)n1,CPDYUXMHEAJZAG-UHFFFAOYSA-N
-rxn:4:221207:225674,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCCC5)cc4F)cc3)CC2)n1,DBZLNUGFORQXKH-UHFFFAOYSA-N
-rxn:4:221207:225688,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCCC5)c(Cl)c4)cc3)CC2)n1,YUPLAWJCTUJBBN-UHFFFAOYSA-N
-rxn:4:221207:225722,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Cl)c(OCCN(C)C)c4)cc3)CC2)n1,RDHGZWJYUPVQOL-UHFFFAOYSA-N
-rxn:4:221207:225754,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C2CC2)cn1,REOCGPXUFNGWPF-UHFFFAOYSA-N
-rxn:4:221207:225811,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(C(F)(F)F)CC5)cc4)cc3)CC2)n1,MAYYZSSRKAKZEA-UHFFFAOYSA-N
-rxn:4:221207:225814,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)cc3)CC2)n1,BHNDCBHMMFSYMS-UHFFFAOYSA-N
-rxn:4:221207:225815,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CC5)cc4C(F)(F)F)cc3)CC2)n1,FLTYVHYTGJYVOL-UHFFFAOYSA-N
-rxn:4:221207:225816,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)ccc4C(F)(F)F)cc3)CC2)n1,DIWRQVWCVKZGMY-UHFFFAOYSA-N
-rxn:4:221207:225817,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)c(C5CC5)c4)cc3)CC2)n1,HBYVORRPPCYBLM-UHFFFAOYSA-N
-rxn:4:221207:225819,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)ccc4C4CC4)cc3)CC2)n1,SPDMIHIATHEPEK-UHFFFAOYSA-N
-rxn:4:221207:225821,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CC5)c(C(F)(F)F)c4)cc3)CC2)n1,XIEZLDJDNUWLQP-UHFFFAOYSA-N
-rxn:4:221207:225824,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)cc3)CC2)n1,YCDGRARPUBUTCI-UHFFFAOYSA-N
-rxn:4:221207:225828,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,WMWRBZXZBXRTQS-UHFFFAOYSA-N
-rxn:4:221207:225852,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCCC5)nc4Cl)cc3)CC2)n1,CVQWEDFTUMALEM-UHFFFAOYSA-N
-rxn:4:221207:225871,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)CC2)n1,BETJICNAHQNNOD-UHFFFAOYSA-N
-rxn:4:221207:225872,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)c(F)c(N5CCCC5)c4)cc3)CC2)n1,MCZGNWKIGKPBFQ-UHFFFAOYSA-N
-rxn:4:221207:225876,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)ccc4N4CCOCC4)cc3)CC2)n1,ZSJTYPOCSRTLHZ-UHFFFAOYSA-N
-rxn:4:221207:225904,CON(C)C(=O)c1ccc(F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,PXGKSRJDEUTWDK-UHFFFAOYSA-N
-rxn:4:221207:225907,CCCc1ncc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C(F)(F)F,LQYQGWQHTKVJPD-UHFFFAOYSA-N
-rxn:4:221207:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,BNEVRHPZKHGVLR-UHFFFAOYSA-N
-rxn:4:221207:225927,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)ccc4N(C)C)cc3)CC2)n1,NCZYJTGQWDQSKD-UHFFFAOYSA-N
-rxn:4:221207:225933,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)nc(C(F)(F)F)c4)cc3)CC2)n1,PENJJLGWVCQYTI-UHFFFAOYSA-N
-rxn:4:221207:225977,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)CC2)n1,HQKMXBCJKPSWOI-UHFFFAOYSA-N
-rxn:4:221207:225979,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3)CC2)n1,AEJHLIRMVXPNGS-UHFFFAOYSA-N
-rxn:4:221207:225985,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(N5CCCS5(=O)=O)c4)cc3)CC2)n1,YVQCSEAXVPPPQM-UHFFFAOYSA-N
-rxn:4:221207:225987,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4)cc3)CC2)n1,WXOJCCPOIZUJFH-UHFFFAOYSA-N
-rxn:4:221207:226002,CC(=O)Oc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1[N+](=O)[O-],ORRADCDZFGBZTQ-UHFFFAOYSA-N
-rxn:4:221207:226008,COc1ccc(OC(F)(F)F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,CSLSLQNVZBCXEL-UHFFFAOYSA-N
-rxn:4:221207:226018,CSc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1OC(F)(F)F,QGPANFIJTZXVAD-UHFFFAOYSA-N
-rxn:4:221207:226030,COc1c(F)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C(F)(F)F,BSQQATOVMMHZTI-UHFFFAOYSA-N
-rxn:4:221207:226037,COc1c(C(F)(F)F)ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,KYIDUQXSDOXFBC-UHFFFAOYSA-N
-rxn:4:221207:226067,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5=CCCCC5)cc4)cc3)CC2)n1,UENAIVIPGZYPHT-UHFFFAOYSA-N
-rxn:4:221207:226084,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)C(=O)CCCC5)cc3)CC2)n1,LNCPXHGPIRMIQQ-UHFFFAOYSA-N
-rxn:4:221207:226125,COCc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CC2)c1,OEORJFLTLPNPBN-UHFFFAOYSA-N
-rxn:4:221207:226129,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CN5CCCC5)c4)cc3)CC2)n1,AYFBKKOGRAKRBR-UHFFFAOYSA-N
-rxn:4:221207:226130,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCCC5)cc4)cc3)CC2)n1,GESVQCVKBCEKHC-UHFFFAOYSA-N
-rxn:4:221207:226141,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccccc4OC4CCCC4)cc3)CC2)n1,FNMHTKZGSYMXSV-UHFFFAOYSA-N
-rxn:4:221207:226159,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(N5CCCCC5)c4)cc3)CC2)n1,BGGFBRCIHORLNN-UHFFFAOYSA-N
-rxn:4:221207:226185,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCOCC5)cc4)cc3)CC2)n1,NHVDAXNTYLIDRU-UHFFFAOYSA-N
-rxn:4:221207:226212,CON=C1CCc2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc21,IVKTWRJZMLGRFN-UHFFFAOYSA-N
-rxn:4:221207:226250,CCCCOc1ccc(Cl)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,UISZAYYEHHRMHC-UHFFFAOYSA-N
-rxn:4:221207:226252,CCCCOc1cc(Cl)ccc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,RSBVOUAVDYDJJO-UHFFFAOYSA-N
-rxn:4:221207:226270,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C=C(C#N)C#N)c4)cc3)CC2)n1,WJCYQXSWNPYGQT-UHFFFAOYSA-N
-rxn:4:221207:226272,CCN(C)C(=O)c1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,GTOUVTKYZWXDRB-UHFFFAOYSA-N
-rxn:4:221207:226274,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(C)C)c(C#N)c4)cc3)CC2)n1,DRBOEVBOJBCONY-UHFFFAOYSA-N
-rxn:4:221207:226299,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCC5CC5)cc4Cl)cc3)CC2)n1,KLTWJEGFBAZNMB-UHFFFAOYSA-N
-rxn:4:221207:226306,CCOC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C,MDYCJHHPEUDOGQ-UHFFFAOYSA-N
-rxn:4:221207:226318,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)nc(N(C)C)c4)cc3)CC2)n1,GPCVYFRKSSYHGG-UHFFFAOYSA-N
-rxn:4:221207:226327,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)cc4Cl)cc3)CC2)n1,LUADXVHQRHRXDC-UHFFFAOYSA-N
-rxn:4:221207:226329,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)c(F)c4)cc3)CC2)n1,SGRGAFQQKIAEKN-UHFFFAOYSA-N
-rxn:4:221207:226333,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)N5CCC5)c4)cc3)CC2)n1,PMSBMDCSYGEWSD-UHFFFAOYSA-N
-rxn:4:221207:226340,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C#N)cc(C5CC5)c4Cl)cc3)CC2)n1,NPRQYPRNMURQFC-UHFFFAOYSA-N
-rxn:4:221207:226342,COC(=O)c1c(C)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C,FGZVIGPXCHHDRN-UHFFFAOYSA-N
-rxn:4:221207:226353,COc1cc(C2CC2)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1Cl,AHAJCCKHKGDSIO-UHFFFAOYSA-N
-rxn:4:221207:226355,COc1cc(Cl)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C1CC1,PVSBUMASCYSFRA-UHFFFAOYSA-N
-rxn:4:221207:226411,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)cc4)cc3)CC2)n1,LQERJNVTQKQZNE-UHFFFAOYSA-N
-rxn:4:221207:226420,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(N5CCCC5)c4)cc3)CC2)n1,DMKXSHVVMZYBGW-UHFFFAOYSA-N
-rxn:4:221207:226424,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(N5CCCC(C)C5)cs4)cc3)CC2)n1,NTINWCGLECAFOP-UHFFFAOYSA-N
-rxn:4:221207:226425,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5C)s4)cc3)CC2)n1,PBCVNSYUZNNGDF-UHFFFAOYSA-N
-rxn:4:221207:226426,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCC(C)CC5)s4)cc3)CC2)n1,DFODNPMQEHLANT-UHFFFAOYSA-N
-rxn:4:221207:226427,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(N5CCC(C)CC5)cs4)cc3)CC2)n1,QAFQCTCJZUIWAY-UHFFFAOYSA-N
-rxn:4:221207:226431,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCC5)c(F)c4)cc3)CC2)n1,MSIAWWMZDIODIL-UHFFFAOYSA-N
-rxn:4:221207:226440,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)nc(C5CCCC5)c4)cc3)CC2)n1,HMJXVBHJWCBQSX-UHFFFAOYSA-N
-rxn:4:221207:226441,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCC5)cc4F)cc3)CC2)n1,VHJISHARFGYEDT-UHFFFAOYSA-N
-rxn:4:221207:226498,CCN(CC)c1ncc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,JVODEORNNNKWLT-UHFFFAOYSA-N
-rxn:4:221207:226505,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(OCC(C)C)c(Cl)c4)cc3)CC2)n1,RELATGAYLCNCDW-UHFFFAOYSA-N
-rxn:4:221207:226518,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C#N,AIEHHBKPMSTELO-UHFFFAOYSA-N
-rxn:4:221207:226528,CCOC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)c1,ZIRIJZHLNUPMAR-UHFFFAOYSA-N
-rxn:4:221207:226531,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1Cl,RVHPSKBOYXNFAM-UHFFFAOYSA-N
-rxn:4:221207:226535,COC(=O)c1cc(OC)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,VHJSFCQPQVAEEG-UHFFFAOYSA-N
-rxn:4:221207:226540,CCOC(=O)c1ccc(F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,JPZSDNBWTRJZLX-UHFFFAOYSA-N
-rxn:4:221207:226549,CCOc1c(Cl)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1OC,GOYQVIKMQZSONB-UHFFFAOYSA-N
-rxn:4:221207:226551,CCOc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(Cl)c1OC,BLSNYUDSXRMTQR-UHFFFAOYSA-N
-rxn:4:221207:226566,COC(=O)c1ccc(OC)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OKWRLZGUEBAPCA-UHFFFAOYSA-N
-rxn:4:221207:226567,COC(=O)C(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,ZSNZXQYPCKURIV-UHFFFAOYSA-N
-rxn:4:221207:226577,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)cc(C(=O)N(C)C)c4)cc3)CC2)n1,MBTXVCWWWWUSMY-UHFFFAOYSA-N
-rxn:4:221207:226578,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C)c(Cl)c4)cc3)CC2)n1,YNSQFMHNFPKPCG-UHFFFAOYSA-N
-rxn:4:221207:226582,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C)cc4F)cc3)CC2)n1,LBRBXRBBQVIJGS-UHFFFAOYSA-N
-rxn:4:221207:226584,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C)cc4Cl)cc3)CC2)n1,DCELWXOOOJTMLW-UHFFFAOYSA-N
-rxn:4:221207:226585,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(=O)N(C)C)ccc4Cl)cc3)CC2)n1,BUAUWKWZERDMGL-UHFFFAOYSA-N
-rxn:4:221207:226610,CCc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,ZWCDCMFVKQVKBF-UHFFFAOYSA-N
-rxn:4:221207:226654,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4csc(N5CCC(C)CC5)n4)cc3)CC2)n1,LZBBOJPTENLVIP-UHFFFAOYSA-N
-rxn:4:221207:226675,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2)n1,QYJJAEUYIHQMFW-UHFFFAOYSA-N
-rxn:4:221207:226685,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCOCC5)nc4)cc3)CC2)n1,LFQIADWVHWVQMI-UHFFFAOYSA-N
-rxn:4:221207:226709,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4c(C)cc(C(F)(F)F)cc4C)cc3)CC2)n1,QUXRBSHUWPQUMY-UHFFFAOYSA-N
-rxn:4:221207:226715,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc3)CC2)n1,CLBNARQAOXULQK-UHFFFAOYSA-N
-rxn:4:221207:226739,CC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1[N+](=O)[O-],OHXHEIHNSVXHPN-UHFFFAOYSA-N
-rxn:4:221207:226757,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(C)c4)cc3)CC2)n1,BESWBBNTRROXFI-UHFFFAOYSA-N
-rxn:4:221207:226759,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,ZTZMMIYHAGXJEO-UHFFFAOYSA-N
-rxn:4:221207:226762,CSc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,NRYYEKXQCOGWTR-UHFFFAOYSA-N
-rxn:4:221207:226763,COC(=O)c1c(F)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,DOISLFRAWQCZFH-UHFFFAOYSA-N
-rxn:4:221207:226767,COc1ccc(C(F)(F)F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,ZUZGVILFOOQGNN-UHFFFAOYSA-N
-rxn:4:221207:226777,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C)c(F)c(OC(F)F)c4)cc3)CC2)n1,MZMISJLCFJKZJV-UHFFFAOYSA-N
-rxn:4:221207:226831,CCCn1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C(F)(F)F)n1,INWNMQHTABMSET-UHFFFAOYSA-N
-rxn:4:221207:226835,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)nn4C(C)C)cc3)CC2)n1,OHCOSQYSOSZXJL-UHFFFAOYSA-N
-rxn:4:221207:226856,COc1cnc(C(F)(F)F)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,VCHPOGZMXKXVHC-UHFFFAOYSA-N
-rxn:4:221207:226925,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C)c4C)cc3)CC2)n1,FUPYRSQIHPFOIF-UHFFFAOYSA-N
-rxn:4:221207:227008,CC=CCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,NIBWLSLDXXYUBF-UHFFFAOYSA-N
-rxn:4:221207:227018,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)(C)C#N)cc4)cc3)CC2)n1,YOTVDHDERLZGQS-UHFFFAOYSA-N
-rxn:4:221207:227021,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)cc4)cc3)CC2)n1,RSZVAMDGTRYEOG-UHFFFAOYSA-N
-rxn:4:221207:227022,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN5CCC5)cc4)cc3)CC2)n1,CYYBWNKMRMMMIJ-UHFFFAOYSA-N
-rxn:4:221207:227026,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C#N)c(C5CC5)c4)cc3)CC2)n1,NZRMRXUXORRMBS-UHFFFAOYSA-N
-rxn:4:221207:227030,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C#N)cc4C4CC4)cc3)CC2)n1,UUVSIMZPRQJAMG-UHFFFAOYSA-N
-rxn:4:221207:227033,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CC5)c(C#N)c4)cc3)CC2)n1,HIEXYVZOBBYHII-UHFFFAOYSA-N
-rxn:4:221207:227056,COc1cccc(C2CC2)c1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,PVQNZWKWJKKDMU-UHFFFAOYSA-N
-rxn:4:221207:227101,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C)c(C5CC5)cc4Cl)cc3)CC2)n1,VBFLRKLLCYQOIR-UHFFFAOYSA-N
-rxn:4:221207:227106,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(C)cc4F)cc3)CC2)n1,YRWPZDWNQMKYRQ-UHFFFAOYSA-N
-rxn:4:221207:227109,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(Cl)cc4C)cc3)CC2)n1,RXESUUZZQRBERW-UHFFFAOYSA-N
-rxn:4:221207:227110,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(C)cc4Cl)cc3)CC2)n1,SJEJBLBZKKUAJP-UHFFFAOYSA-N
-rxn:4:221207:227111,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4c(C)cc(C5CC5)cc4Cl)cc3)CC2)n1,WYGLLQSYMCNWAR-UHFFFAOYSA-N
-rxn:4:221207:227112,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)c(C5CC5)cc4C)cc3)CC2)n1,BNANIABQDYEZCH-UHFFFAOYSA-N
-rxn:4:221207:227118,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)cc(C5CC5)c4C)cc3)CC2)n1,MYVGQRRCHPXCMD-UHFFFAOYSA-N
-rxn:4:221207:227120,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCC5)cc4F)cc3)CC2)n1,BLSIVARDICZDRB-UHFFFAOYSA-N
-rxn:4:221207:227121,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)(C)C)cc4Cl)cc3)CC2)n1,DTUFEMNVYDANQU-UHFFFAOYSA-N
-rxn:4:221207:227166,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)OCCN5C)cc3)CC2)n1,HBSLMCOKGXLFBJ-UHFFFAOYSA-N
-rxn:4:221207:227183,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)CN(C)C5=O)cc3)CC2)n1,RYUMWISQEPABTE-UHFFFAOYSA-N
-rxn:4:221207:227185,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2)n1,VBAJUONBLXGCMI-UHFFFAOYSA-N
-rxn:4:221207:227199,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C)C(=O)C5)cc3)CC2)n1,AGLNZYRRMYRBLJ-UHFFFAOYSA-N
-rxn:4:221207:227209,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)OC(C)(C)O5)cc3)CC2)n1,JLIFSKQTIJNKRP-UHFFFAOYSA-N
-rxn:4:221207:227212,CCCCOc1ncccc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,HOJRSKPSQSSOGB-UHFFFAOYSA-N
-rxn:4:221207:227214,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCCC#N)cc4)cc3)CC2)n1,KCYNSVSGBQUFRF-UHFFFAOYSA-N
-rxn:4:221207:227220,CCOCSc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,QJKMLKBKWAELPQ-UHFFFAOYSA-N
-rxn:4:221207:227229,CCOc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1C#N,DAKWYYDEWGCBCP-UHFFFAOYSA-N
-rxn:4:221207:227233,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1CC#N,BMIIDBRRLYZJSG-UHFFFAOYSA-N
-rxn:4:221207:227244,CCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1OC,RNUOEWZFWHHRPL-UHFFFAOYSA-N
-rxn:4:221207:227278,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,JXSJYQQLWKDWTI-UHFFFAOYSA-N
-rxn:4:221207:227282,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C#N)cnc4C(C)C)cc3)CC2)n1,HBWQKGLMKYGILR-UHFFFAOYSA-N
-rxn:4:221207:227291,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CN(C)C)c(F)c4)cc3)CC2)n1,YLONRXYDXOEEJD-UHFFFAOYSA-N
-rxn:4:221207:227292,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(CN(C)C)c4)cc3)CC2)n1,XGMDHRQKYNDKIW-UHFFFAOYSA-N
-rxn:4:221207:227296,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC5CCC5)nc4)cc3)CC2)n1,VECYZHPZPJKLDO-UHFFFAOYSA-N
-rxn:4:221207:227297,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(CN(C)C)ccc4F)cc3)CC2)n1,DHRASBNHWJLQBS-UHFFFAOYSA-N
-rxn:4:221207:227299,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)cc(CN(C)C)c4)cc3)CC2)n1,FEMPPZWFEOWQGQ-UHFFFAOYSA-N
-rxn:4:221207:227312,CCC(C)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)n1,SGOBGOGGJAVCAY-UHFFFAOYSA-N
-rxn:4:221207:227315,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(CC(C)C)cc4F)cc3)CC2)n1,PPJBNQBZIGCJSY-UHFFFAOYSA-N
-rxn:4:221207:227318,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(CC(C)C)c(Cl)c4)cc3)CC2)n1,AOXHKUFZHHRQEC-UHFFFAOYSA-N
-rxn:4:221207:227335,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Cl)cc4OC(C)C)cc3)CC2)n1,UMZOMTXCDUBDCD-UHFFFAOYSA-N
-rxn:4:221207:227348,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C)c1OC,CCJUWJPRUXPANE-UHFFFAOYSA-N
-rxn:4:221207:227364,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)c1C,NNZCSBRBTNBLFJ-UHFFFAOYSA-N
-rxn:4:221207:227375,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCCC5)nc4)cc3)CC2)n1,BXTZKHACBKZJPV-UHFFFAOYSA-N
-rxn:4:221207:227402,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)nc(C(C)(C)C)c4)cc3)CC2)n1,FEDDXGRQDRTAIN-UHFFFAOYSA-N
-rxn:4:221207:227409,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)ncc4F)cc3)CC2)n1,LCQXYWXOQLQIIX-UHFFFAOYSA-N
-rxn:4:221207:227415,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)(C)C)nc4F)cc3)CC2)n1,GXYJUMXFGLLAAY-UHFFFAOYSA-N
-rxn:4:221207:227451,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CC5(F)F)cc4)cc3)CC2)n1,KIZXUEXMHAQENX-UHFFFAOYSA-N
-rxn:4:221207:227458,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc5c(c4)OCCN5C)cc3)CC2)n1,ULCMGIYFDBAMDV-UHFFFAOYSA-N
-rxn:4:221207:227474,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CC[N+](=O)[O-])cc4)cc3)CC2)n1,YBXUIUGMRZHJLO-UHFFFAOYSA-N
-rxn:4:221207:227479,CCCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)n1,XCPFJSXKYDXAAO-UHFFFAOYSA-N
-rxn:4:221207:227488,CSCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,JMEIPVOOXXQUJX-UHFFFAOYSA-N
-rxn:4:221207:227489,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N(C)C)c(C#N)c4)cc3)CC2)n1,MTPZSUYHQDCZSD-UHFFFAOYSA-N
-rxn:4:221207:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,ZDGZYRAKCQRLOK-UHFFFAOYSA-N
-rxn:4:221207:227501,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C=C[N+](=O)[O-])cc4)cc3)CC2)n1,CRICGQDDRMXYMV-UHFFFAOYSA-N
-rxn:4:221207:227505,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(/C=C/[N+](=O)[O-])cc4)cc3)CC2)n1,CRICGQDDRMXYMV-ACCUITESSA-N
-rxn:4:221207:227508,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C)n1,ZOKGYDHSEDIJOG-UHFFFAOYSA-N
-rxn:4:221207:227526,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,FSZDNPDCNKFCLB-UHFFFAOYSA-N
-rxn:4:221207:227531,COC(=O)c1cc(F)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,LZRQVAPSNFRHOM-UHFFFAOYSA-N
-rxn:4:221207:227533,COC(=O)c1ccc(Cl)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,PANJUIUXJQSMJE-UHFFFAOYSA-N
-rxn:4:221207:227537,COC(=O)c1cc(Cl)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SKEMCYKPZQMTMY-UHFFFAOYSA-N
-rxn:4:221207:227540,COc1c(F)cc(SC)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,WMDPXTMWSOQFEO-UHFFFAOYSA-N
-rxn:4:221207:227544,COC(=O)c1ccc(F)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,AFXZXYZGIPKKNF-UHFFFAOYSA-N
-rxn:4:221207:227547,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)F)c(C)c4)cc3)CC2)n1,PXVAKQNXASPWIT-UHFFFAOYSA-N
-rxn:4:221207:227551,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1Cl,JKDLFZXEUKSJTJ-UHFFFAOYSA-N
-rxn:4:221207:227559,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C)c(OC(F)F)c4)cc3)CC2)n1,HZAWUODHALAHAX-UHFFFAOYSA-N
-rxn:4:221207:227561,COc1cc(F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1OC,ULFORXMTAPQWSM-UHFFFAOYSA-N
-rxn:4:221207:227563,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CC(F)(F)F)c4)cc3)CC2)n1,QVPUWWOHMYHJEG-UHFFFAOYSA-N
-rxn:4:221207:227567,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(Cl)c1OC,ZSXRCQUPTNGDDE-UHFFFAOYSA-N
-rxn:4:221207:227575,COc1ccc(OC)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,AAQQRGCEGPVXHQ-UHFFFAOYSA-N
-rxn:4:221207:227584,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(OC)c1Cl,ROEMRAMAONBMOR-UHFFFAOYSA-N
-rxn:4:221207:227590,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CC(F)(F)F)cc4)cc3)CC2)n1,QWUKOKGZUMTILV-UHFFFAOYSA-N
-rxn:4:221207:227654,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5OCCO5)nc4)cc3)CC2)n1,WJYPFYKXSYHDEB-UHFFFAOYSA-N
-rxn:4:221207:227657,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)s4)cc3)CC2)n1,PQDYODIOAUOIIQ-UHFFFAOYSA-N
-rxn:4:221207:227658,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)c(N(C)C)cc4Cl)cc3)CC2)n1,MWSFEANSLYFYAZ-UHFFFAOYSA-N
-rxn:4:221207:227665,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)c(C)c4)cc3)CC2)n1,DSCCPBRNWIICFY-UHFFFAOYSA-N
-rxn:4:221207:227674,COc1c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C)c(F)c1F,SBTBWKLBTWDYCR-UHFFFAOYSA-N
-rxn:4:221207:227693,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)cn1,VVULJFLJKRZBJW-UHFFFAOYSA-N
-rxn:4:221207:227695,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,MHCSSXZSNKDCQY-UHFFFAOYSA-N
-rxn:4:221207:227696,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)n1,DLVYOURWGWEUHJ-UHFFFAOYSA-N
-rxn:4:221207:227699,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)c(OC)n1,IVEXDOCXEYDUNG-UHFFFAOYSA-N
-rxn:4:221207:227709,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(OC(F)(F)F)c4)cc3)CC2)n1,HCHAMLPBUZEGFA-UHFFFAOYSA-N
-rxn:4:221207:227734,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)cc([N+](=O)[O-])c4C)cc3)CC2)n1,JRJTYXKJASMIBQ-UHFFFAOYSA-N
-rxn:4:221207:228193,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnn(C5CCCC5)c4)cc3)CC2)n1,WRBSXVNTOWSQFS-UHFFFAOYSA-N
-rxn:4:221207:228295,CCOC(=O)n1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,RWZJOGVJFYMXGX-UHFFFAOYSA-N
-rxn:4:221207:228340,COc1nc(C2CC2)sc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,XUHXYMCSMIFIQW-UHFFFAOYSA-N
-rxn:4:221207:228453,COC(=O)Cn1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cn1,YXIXTZPSIGOXEP-UHFFFAOYSA-N
-rxn:4:221232:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,BRBXHJKOYJFULM-UHFFFAOYSA-N
-rxn:4:221240:223035,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cccnc4NC(=O)C(C)(C)C)cn3)C1)CCC2,FTRHIKBEOTXNEV-UHFFFAOYSA-N
-rxn:4:221252:222473,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2OC)cc1,GCJUCCBJBRODPO-UHFFFAOYSA-N
-rxn:4:221252:226236,CCCCOc1ncc(C)cc1-c1ccc(Cn2c(CN3CCCCC3CC)nc3c2c(=O)n(C)c(=O)n3C)cc1,JOLJOLIXXFQWHW-UHFFFAOYSA-N
-rxn:4:221263:223057,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)cc2)n(C)c1=O,UPPLZXLVIDNVFU-UHFFFAOYSA-N
-rxn:4:221284:222439,N#Cc1ccc(N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)cn3)C2)nc1,LYXJXLVHTYPQKI-UHFFFAOYSA-N
-rxn:4:221369:223508,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)ccc1=O,ZEXALGSIALGKRY-UHFFFAOYSA-N
-rxn:4:221374:222584,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1=O,CKLGGWQBOPSTEO-UHFFFAOYSA-N
-rxn:4:221388:224326,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)nc(C)n1,ARFFFDBAVWBCRC-UHFFFAOYSA-N
-rxn:4:221394:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)nc1,ZHEZATIQRCYTRW-UHFFFAOYSA-N
-rxn:4:221411:223945,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,XKDBKHFGRUTSCV-UHFFFAOYSA-N
-rxn:4:221424:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2Cl)CC1,GDOBLJQWVACGRY-UHFFFAOYSA-N
-rxn:4:221449:222515,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNS(=O)(=O)c5ccc(Cl)cc5)cc4)cc3)CC2)n1,GPJHRXGAMNAUHF-UHFFFAOYSA-N
-rxn:4:221449:222516,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5C)cc4)cc3)CC2)n1,ZXVONBHPXOIOJY-UHFFFAOYSA-N
-rxn:4:221449:222545,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,BVAMVFHPKBCJTO-UHFFFAOYSA-N
-rxn:4:221449:222567,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccccc5Cl)cc4)cc3)CC2)n1,MXAVRIVYWOQQCP-UHFFFAOYSA-N
-rxn:4:221449:222569,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccc(Cl)cc5)cc4)cc3)CC2)n1,CBZVQEZPMGPUEG-UHFFFAOYSA-N
-rxn:4:221449:222570,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cc3)CC2)n1,OAJOCYHBCZEBEA-UHFFFAOYSA-N
-rxn:4:221449:222587,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,YDXMIEGRHRPFJZ-UHFFFAOYSA-N
-rxn:4:221449:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)cc1,BCJRFTDBEFYUBC-UHFFFAOYSA-N
-rxn:4:221449:222617,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5ccccc5)c4)cc3)CC2)n1,PHKLNXWWSPSSFY-UHFFFAOYSA-N
-rxn:4:221449:222618,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4)cc3)CC2)n1,KNJURMNPSJMUBC-UHFFFAOYSA-N
-rxn:4:221449:222636,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,NIMWPCIOWKFSIC-XMMPIXPASA-N
-rxn:4:221449:222643,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5cccnc5)cc4)cc3)CC2)n1,RNRUZFAZALKIDD-UHFFFAOYSA-N
-rxn:4:221449:222652,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)cc3)CC2)n1,VCJRBUKRAXIBTL-UHFFFAOYSA-N
-rxn:4:221449:222663,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)Nc5ccc(F)cc5)c4)cc3)CC2)n1,AFZBECDFTQYGEM-UHFFFAOYSA-N
-rxn:4:221449:222671,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2)n1,KYVPPXVUNPWBKM-UHFFFAOYSA-N
-rxn:4:221449:222687,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4F)cc3)CC2)n1,QFLQLABVLSEHMZ-UHFFFAOYSA-N
-rxn:4:221449:222748,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC5CCCO5)c4)cc3)CC2)n1,AUFCTXXLGLNKGY-UHFFFAOYSA-N
-rxn:4:221449:222753,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5cccs5)c4)cc3)CC2)n1,LTXLVPDERMWFMB-UHFFFAOYSA-N
-rxn:4:221449:222787,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cc3)CC2)n1,RSVPDMJVWRJXDQ-UHFFFAOYSA-N
-rxn:4:221449:222869,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCC(C)C)c4)cc3)CC2)n1,ZHNNAYYOCCZUNO-UHFFFAOYSA-N
-rxn:4:221449:222946,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5O)nc4Cl)cc3)CC2)n1,ZKQDPMPQMRFSAH-UHFFFAOYSA-N
-rxn:4:221449:222963,CCCNC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,SEMSHNZRYTVKPS-UHFFFAOYSA-N
-rxn:4:221449:222965,CCCC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,PUVULTSGNKAYTB-UHFFFAOYSA-N
-rxn:4:221449:222977,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CC5)ccc4C)cc3)CC2)n1,HAAVEPIAGBXGSC-UHFFFAOYSA-N
-rxn:4:221449:222985,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,UPYNUBRUTSJERM-UHFFFAOYSA-N
-rxn:4:221449:223019,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCC#N)c4)cc3)CC2)n1,ANYCKWBUKXZBJX-UHFFFAOYSA-N
-rxn:4:221449:223021,COCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,ZFMAATWUTWBSHI-UHFFFAOYSA-N
-rxn:4:221449:223037,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C(=O)NC5CC5)c4)cc3)CC2)n1,CRFQGVMFWFNSMT-UHFFFAOYSA-N
-rxn:4:221449:223046,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NC5CC5)c4)cc3)CC2)n1,KBYUMEXJIORDAK-UHFFFAOYSA-N
-rxn:4:221449:223099,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C(F)(F)F)c4)cc3)CC2)n1,UXBANVOOIFZKIM-UHFFFAOYSA-N
-rxn:4:221449:223104,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)n1,ANRDAUAEBYEGQQ-UHFFFAOYSA-N
-rxn:4:221449:223114,CCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,YHDQVMIJCVAOIH-UHFFFAOYSA-N
-rxn:4:221449:223151,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,LQDBAQDUMDGLQX-UHFFFAOYSA-N
-rxn:4:221449:223159,CCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,LFNYGHBLMUIZND-UHFFFAOYSA-N
-rxn:4:221449:223161,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)c1,HJSAYWDELCVMIS-UHFFFAOYSA-N
-rxn:4:221449:223167,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCNCC5)c4)cc3)CC2)n1,IXIPELSLDTYCGI-UHFFFAOYSA-N
-rxn:4:221449:223170,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,IOODIXBPFWUVLP-UHFFFAOYSA-N
-rxn:4:221449:223228,CCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,GTFRMBRNBZQFFM-UHFFFAOYSA-N
-rxn:4:221449:223280,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCNC5)nc4)cc3)CC2)n1,YUDWFYUJZDFWMS-UHFFFAOYSA-N
-rxn:4:221449:223361,CC(=NO)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,KUBRZWYWHXSHFQ-UHFFFAOYSA-N
-rxn:4:221449:223362,C/C(=N\O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,KUBRZWYWHXSHFQ-MWAVMZGNSA-N
-rxn:4:221449:223384,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cn1,NNNIMHBOBQHXDO-UHFFFAOYSA-N
-rxn:4:221449:223385,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C=NO)ccc4Cl)cc3)CC2)n1,NCNAYAVEFALBOM-UHFFFAOYSA-N
-rxn:4:221449:223480,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,FURIDOOMOQPDBF-UHFFFAOYSA-N
-rxn:4:221449:223496,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(N(Cc5ccccc5)Cc5ccccc5)c4)cc3)CC2)n1,XGFMCEKCRHLIAV-UHFFFAOYSA-N
-rxn:4:221449:223508,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)n1,QFLRLMKNTNTOCV-UHFFFAOYSA-N
-rxn:4:221449:223553,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)cc4)cc3)CC2)n1,ZWHDNHWDOJYXNU-UHFFFAOYSA-N
-rxn:4:221449:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc21,VLCJIIFCNDSTMV-UHFFFAOYSA-N
-rxn:4:221449:223660,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)CC2)n1,YVWPHIQDEARWJK-UHFFFAOYSA-N
-rxn:4:221449:223661,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)OCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,OUEZQDWSUHCEBK-UHFFFAOYSA-N
-rxn:4:221449:223667,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cc3)CC2)n1,SKTWIWXIRIXGPH-UHFFFAOYSA-N
-rxn:4:221449:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,KJJOJRJTUPRZHB-OGESRWMOSA-N
-rxn:4:221449:223751,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN5C(=O)c6ccccc6C5=O)c4)cc3)CC2)n1,IKPXXSQGKKHDFP-UHFFFAOYSA-N
-rxn:4:221449:223837,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Oc5ccc(OC(F)(F)F)cc5)nc4)cc3)CC2)n1,JMUPJTMXXAZSDB-UHFFFAOYSA-N
-rxn:4:221449:223847,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,QLASWFBSVHQWCX-UHFFFAOYSA-N
-rxn:4:221449:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,QLASWFBSVHQWCX-WXUXXXNLSA-N
-rxn:4:221449:223870,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N(C)Cc5ccccc5)cc4)cc3)CC2)n1,YNVCMMVUNNAOAA-UHFFFAOYSA-N
-rxn:4:221449:223873,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4CCC(=O)N4CCC(C)CC4)cc3)CC2)n1,OYHYSBYWEDBBFX-UHFFFAOYSA-N
-rxn:4:221449:223877,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(OCc5cccc(Cl)c5)c(C)c4)cc3)CC2)n1,ZBQOTAPHXUAQRK-UHFFFAOYSA-N
-rxn:4:221449:223955,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SCc5ccccc5[N+](=O)[O-])cc4)cc3)CC2)n1,MMXQJCXPHOSEPI-UHFFFAOYSA-N
-rxn:4:221449:223964,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)cc3)CC2)n1,ZBXZAHWACOCRGJ-UHFFFAOYSA-N
-rxn:4:221449:223966,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)CC2)n1,SPJMSNQHQYUNNQ-UHFFFAOYSA-N
-rxn:4:221449:223998,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cc3)CC2)n1,BMGPQHAPMBESJH-UHFFFAOYSA-N
-rxn:4:221449:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,PRBZICMXLMMPPF-OGESRWMOSA-N
-rxn:4:221449:224051,CCc1ccc(OCc2ccccc2)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,JAZKCYONVXEJIS-UHFFFAOYSA-N
-rxn:4:221449:224053,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(OCc5ccccc5)c(C)c4)cc3)CC2)n1,KILJXPFHNOWSRZ-UHFFFAOYSA-N
-rxn:4:221449:224066,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5ccncc5)cc(C(C)(C)C)c4)cc3)CC2)n1,AIIUTXHSQURHSU-UHFFFAOYSA-N
-rxn:4:221449:224067,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5cccnc5)cc(C(C)(C)C)c4)cc3)CC2)n1,GQLVUQWSBGRTGS-UHFFFAOYSA-N
-rxn:4:221449:224094,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCc4cccc(C#N)c4)cc3)CC2)n1,MQXDIGURJHPKME-UHFFFAOYSA-N
-rxn:4:221449:224099,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SCc5ccccc5C#N)cc4)cc3)CC2)n1,DSGXSNZWOXMBCB-UHFFFAOYSA-N
-rxn:4:221449:224134,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)cc3)CC2)n1,FZXNLTCWSBWQPD-UHFFFAOYSA-N
-rxn:4:221449:224162,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cc3)CC2)n1,RKTKUNGKDUINJX-UHFFFAOYSA-N
-rxn:4:221449:224297,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])ccc4Sc4ccccc4)cc3)CC2)n1,NVHSUQWMOZEDFP-UHFFFAOYSA-N
-rxn:4:221449:224397,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cc3)CC2)n1,WTOLBFZIOIOWHD-UHFFFAOYSA-N
-rxn:4:221449:224416,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,BHNWBQYJZLKIKD-UHFFFAOYSA-N
-rxn:4:221449:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,MBSMPUMEAMDSDD-QVYRIUEQSA-N
-rxn:4:221449:224430,CCC(C)Oc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc2c1,HNGGQIYERRAYKV-UHFFFAOYSA-N
-rxn:4:221449:224485,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)CC2)n1,AEYCDGMXADHRLS-UHFFFAOYSA-N
-rxn:4:221449:224501,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CCCCN5C)cc4)cc3)CC2)n1,LEPCECBQFZRXLC-UHFFFAOYSA-N
-rxn:4:221449:224573,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)cc4C#N)cc3)CC2)n1,BBAKIFWZXGHPTC-UHFFFAOYSA-N
-rxn:4:221449:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,PDDFIRAMAIFFRO-UHFFFAOYSA-N
-rxn:4:221449:224624,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C(=O)OCC(C)(C)C)cc3)CC2)n1,FXUAQLDVUNNOKS-UHFFFAOYSA-N
-rxn:4:221449:224729,COc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1C(=O)OC(C)(C)C,AQCFZXDFMZAOLW-UHFFFAOYSA-N
-rxn:4:221449:224845,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)CC2)n1,CHTYXQXYCQABDH-UHFFFAOYSA-N
-rxn:4:221449:224864,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN(C(C)C)C(C)C)cc4)cc3)CC2)n1,BEFWSEOQIDNIRL-UHFFFAOYSA-N
-rxn:4:221449:224868,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC5CCCCC5)c4)cc3)CC2)n1,DDFWWMXOWMAJOU-UHFFFAOYSA-N
-rxn:4:221449:224904,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CCCCC5)cc4)cc3)CC2)n1,GWSQJXNYVNVGQS-UHFFFAOYSA-N
-rxn:4:221449:224962,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4COC4CCOCC4)cc3)CC2)n1,IPRPGJABHOFCHH-UHFFFAOYSA-N
-rxn:4:221449:225075,COC(=O)c1cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2cn1,QCFMBWHLQSNGFW-UHFFFAOYSA-N
-rxn:4:221449:225086,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)c(Cl)c4)cc3)CC2)n1,AIWKEPCOJAGKPY-UHFFFAOYSA-N
-rxn:4:221449:225145,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)c(C#N)c4)cc3)CC2)n1,PVLYTEMUCQKVOV-UHFFFAOYSA-N
-rxn:4:221449:225213,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3)CC2)n1,SDYDWBNGLOUPTP-UHFFFAOYSA-N
-rxn:4:221449:225228,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)CC2)n1,XJRAESSEESLKMZ-UHFFFAOYSA-N
-rxn:4:221449:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,XIRNBTDFVVNDRP-UHFFFAOYSA-N
-rxn:4:221449:225312,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)n1,IVXYLMXUIQDTKH-UHFFFAOYSA-N
-rxn:4:221449:225330,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(=O)OC)n1,NYQHBPMPVYSCBJ-UHFFFAOYSA-N
-rxn:4:221449:225408,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)CC2)n1,YGIADKYWNZSRRZ-UHFFFAOYSA-N
-rxn:4:221449:225428,CCCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C)c1,OUHIFDHDWADCHA-UHFFFAOYSA-N
-rxn:4:221449:225516,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)cc4)cc3)CC2)n1,ZOJAXJSITGBWBN-UHFFFAOYSA-N
-rxn:4:221449:225517,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCCN(C)C)c4)cc3)CC2)n1,PRJASTCTFJDSKD-UHFFFAOYSA-N
-rxn:4:221449:225551,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OC(C)C,DSIXHYOYSGEXPD-UHFFFAOYSA-N
-rxn:4:221449:225552,CCN(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CC2)n1,QWJXCBYDVQXPGT-UHFFFAOYSA-N
-rxn:4:221449:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,OVTWWBYLCCAYOA-UHFFFAOYSA-N
-rxn:4:221449:225903,CON(C)C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,JOILYAZZBZMLSO-UHFFFAOYSA-N
-rxn:4:221449:225915,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1C(F)(F)F,PCOLOWOOCJXCGE-UHFFFAOYSA-N
-rxn:4:221449:226054,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,HZCPWEDOCSKAJU-UHFFFAOYSA-N
-rxn:4:221449:226058,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C(C)C)cccc4C(C)C)cc3)CC2)n1,CBJTVODCXIWQBT-UHFFFAOYSA-N
-rxn:4:221449:226059,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)C)cc4C(C)C)cc3)CC2)n1,IOHLPYGETASPJM-UHFFFAOYSA-N
-rxn:4:221449:226068,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc3)CC2)n1,CJAMZLVLWVMLMZ-UHFFFAOYSA-N
-rxn:4:221449:226097,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COCC5CC5)cc4)cc3)CC2)n1,TYBAWQDOAWKHHS-UHFFFAOYSA-N
-rxn:4:221449:226111,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4COC(C)(C)C)cc3)CC2)n1,JUBZLBLJGXWWMO-UHFFFAOYSA-N
-rxn:4:221449:226149,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C(C)(C)C,AYSFWIFTHGOUFY-UHFFFAOYSA-N
-rxn:4:221449:226211,CC(=O)N1CCc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc21,ZCKHXVLFWHZVQR-UHFFFAOYSA-N
-rxn:4:221449:226238,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C#N,BUGGUOXVMNDBSK-UHFFFAOYSA-N
-rxn:4:221449:226243,CCOC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,FANJHBHFTRQURB-UHFFFAOYSA-N
-rxn:4:221449:226300,CCCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,SONJKOOKNXVDSO-UHFFFAOYSA-N
-rxn:4:221449:226354,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)c(C2CC2)c1,FMZJUUZALYJNOE-UHFFFAOYSA-N
-rxn:4:221449:226414,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=NCCCO5)cc4)cc3)CC2)n1,LDCRAZJREULACQ-UHFFFAOYSA-N
-rxn:4:221449:226476,CCCCOc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,RVJDUQISTUFELD-UHFFFAOYSA-N
-rxn:4:221449:226529,CCOC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SGFDVMFUHZANLG-UHFFFAOYSA-N
-rxn:4:221449:226720,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)cn1,LKWQGWJUNGVVIW-UHFFFAOYSA-N
-rxn:4:221449:226779,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)cc3)CC2)n1,FRCRVMDAGKAYTD-UHFFFAOYSA-N
-rxn:4:221449:226843,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,VUFKGFZKZMRFJN-UHFFFAOYSA-N
-rxn:4:221449:226909,CCC/C=C/c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,HITBEPHZXCDXQS-AATRIKPKSA-N
-rxn:4:221449:226986,CCCCSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,KCLGTJPPADIYIV-UHFFFAOYSA-N
-rxn:4:221449:227008,CC=CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,RRMOMZBCVVNZJU-UHFFFAOYSA-N
-rxn:4:221449:227072,COc1cc(C2CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,WEKMYXNNSRCDGC-UHFFFAOYSA-N
-rxn:4:221449:227214,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCC#N)cc4)cc3)CC2)n1,JFIBBQVFBIURPN-UHFFFAOYSA-N
-rxn:4:221449:227278,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,UNVMNPIETQUJOW-UHFFFAOYSA-N
-rxn:4:221449:227334,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(OC(C)C)c4)cc3)CC2)n1,PBROCJYDPSDCQV-UHFFFAOYSA-N
-rxn:4:221449:227355,CCOc1ccc(C)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OIZHFSIERAFRTA-UHFFFAOYSA-N
-rxn:4:221449:227477,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccn1,IQMMNKVBISSOGY-UHFFFAOYSA-N
-rxn:4:221449:227654,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5OCCO5)nc4)cc3)CC2)n1,XFVQPUPDCVUCLO-UHFFFAOYSA-N
-rxn:4:221449:227826,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(C)(C)C)c4)cc3)CC2)n1,MABWEASHLJZADD-UHFFFAOYSA-N
-rxn:4:221449:227904,CCN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,MEPHZYHFSSLIGE-UHFFFAOYSA-N
-rxn:4:221449:228253,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(P(C)(C)=O)cc4)cc3)CC2)n1,RCPPVJLZQXQMSW-UHFFFAOYSA-N
-rxn:4:221449:228320,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccn1,LBPVDHGOVICPDQ-UHFFFAOYSA-N
-rxn:4:221453:222409,COc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1S(N)(=O)=O,LTXYALXHZJDLFQ-UHFFFAOYSA-N
-rxn:4:221453:222413,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4C)cc3)CC2)n1,YCRVZWXKVGPHOZ-UHFFFAOYSA-N
-rxn:4:221453:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,RLTDNIWSGGIMOD-UHFFFAOYSA-N
-rxn:4:221453:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,QKOQWWHIACGRRN-UHFFFAOYSA-N
-rxn:4:221453:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)ccc2F)cc1,RZUDPUJAADWTFX-UHFFFAOYSA-N
-rxn:4:221453:222720,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)cc3)CC2)n1,HGXGCLYKUPTMFM-UHFFFAOYSA-N
-rxn:4:221453:222827,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(S(=O)(=O)NC5CC5)cc4F)cc3)CC2)n1,PYYVXITTZAPDMC-UHFFFAOYSA-N
-rxn:4:221453:222883,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4Cl)cc3)CC2)n1,ULJFYMANSXFSEP-UHFFFAOYSA-N
-rxn:4:221453:222937,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)CC2)n1,AQNUPVQXASBRDX-UHFFFAOYSA-N
-rxn:4:221453:222940,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(S(=O)(=O)NC(C)(C)C)c4)cc3)CC2)n1,LRHYGTXQZWUWFW-UHFFFAOYSA-N
-rxn:4:221453:222961,CCCCNC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,BGPJVQXDBZYNPN-UHFFFAOYSA-N
-rxn:4:221453:222974,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4)cc3)CC2)n1,DKSMFMRHEAZFKF-UHFFFAOYSA-N
-rxn:4:221453:223007,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)CC2)n1,BIPOOUNDWRBJIW-UHFFFAOYSA-N
-rxn:4:221453:223009,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)cc3)CC2)n1,BEIZZAOTJNXNME-UHFFFAOYSA-N
-rxn:4:221453:223046,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)NC5CC5)c4)cc3)CC2)n1,FHRVBQRTEMDYNJ-UHFFFAOYSA-N
-rxn:4:221453:223099,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(NC(=O)C(F)(F)F)c4)cc3)CC2)n1,TVAOBGLDAAQHKN-UHFFFAOYSA-N
-rxn:4:221453:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,AGBICCRJSDLZLE-UHFFFAOYSA-N
-rxn:4:221453:223151,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,DHGTWADDMDEYFW-UHFFFAOYSA-N
-rxn:4:221453:223215,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)NC(=O)CC5)cc3)CC2)n1,DADFSACDBPTMGA-UHFFFAOYSA-N
-rxn:4:221453:223218,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4C)NCCO5)cc3)CC2)n1,OJVGTZOTNZXXSE-UHFFFAOYSA-N
-rxn:4:221453:223253,CCCCNc1ncc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,SPOGMKYLHLFQJO-UHFFFAOYSA-N
-rxn:4:221453:223508,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)n1,ZNLXEYUYJNKTFQ-UHFFFAOYSA-N
-rxn:4:221453:223878,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C)c(OCc5ccc(Cl)cc5)c(C)c4)cc3)CC2)n1,LNVUCSRIMQRKRD-UHFFFAOYSA-N
-rxn:4:221453:224337,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cc3)CC2)n1,DLHXWSDOWUFLDG-UHFFFAOYSA-N
-rxn:4:221453:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)c(Cl)c2)CC1,KELMGPYRQBWKNY-UHFFFAOYSA-N
-rxn:4:221453:224782,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(F)c(N5CCN(C)CC5)c4)cc3)CC2)n1,RWWONYCQUCFAEB-UHFFFAOYSA-N
-rxn:4:221453:224826,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cnc1C(F)(F)F,ZRDSNKYLBDKICD-UHFFFAOYSA-N
-rxn:4:221453:225082,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc5nc(C)n(C(C)C)c5cc4F)cc3)CC2)n1,NQEILPJNNQISEJ-UHFFFAOYSA-N
-rxn:4:221453:225228,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)CC2)n1,GKMGQLJYUYUXQD-UHFFFAOYSA-N
-rxn:4:221453:225549,CCCCC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,CEKKLPCOWJXPCW-UHFFFAOYSA-N
-rxn:4:221453:225664,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCCCC5)cc4Cl)cc3)CC2)n1,FGMIMXXFVJHLOK-UHFFFAOYSA-N
-rxn:4:221453:225758,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccncc4C(=O)OC(C)(C)C)cc3)CC2)n1,CDRCERYRWMWFKH-UHFFFAOYSA-N
-rxn:4:221453:225881,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3)CC2)n1,LNAGBQISAWHGRW-UHFFFAOYSA-N
-rxn:4:221453:225905,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1,XUJWYSVRMMONEM-UHFFFAOYSA-N
-rxn:4:221453:225945,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C#CC(F)(F)F)c(F)c4)cc3)CC2)n1,AQPFERIVMQOFMX-UHFFFAOYSA-N
-rxn:4:221453:226132,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5(C#N)CC5)cc4C)cc3)CC2)n1,MXRUODQOIXSMNO-UHFFFAOYSA-N
-rxn:4:221453:226190,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCCC5)cc4F)cc3)CC2)n1,SIJBEAMCWJULLT-UHFFFAOYSA-N
-rxn:4:221453:226306,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C,UOXLBLMXKZUTDC-UHFFFAOYSA-N
-rxn:4:221453:226348,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(C)(C)C)cc4Cl)cc3)CC2)n1,YJIAHGMDQWFBCD-UHFFFAOYSA-N
-rxn:4:221453:226366,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(N5CCCCC5)c4)cc3)CC2)n1,JGEZEYXYTWSXAN-UHFFFAOYSA-N
-rxn:4:221453:226419,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCCC5)cc4Cl)cc3)CC2)n1,ARHIJFVFIRVAFV-UHFFFAOYSA-N
-rxn:4:221453:226516,CCc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C(=O)OC)n1,DLSUTXAHXOTWTP-UHFFFAOYSA-N
-rxn:4:221453:226544,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(OC)c1,GAEGYZQYGAFISU-UHFFFAOYSA-N
-rxn:4:221453:226556,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(Cl)c1F,RXJTWXJRLKATDA-UHFFFAOYSA-N
-rxn:4:221453:226584,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N(C)C)cc4Cl)cc3)CC2)n1,REVUJENGBJNFDM-UHFFFAOYSA-N
-rxn:4:221453:226585,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C(=O)N(C)C)ccc4Cl)cc3)CC2)n1,QDLCYHTYRBXHGV-UHFFFAOYSA-N
-rxn:4:221453:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,NKBQIQMKLJTRRE-UHFFFAOYSA-N
-rxn:4:221453:226661,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2)n1,YSIAOILAKLYGIL-UHFFFAOYSA-N
-rxn:4:221453:226662,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,FGNVGZKIJPJOJL-UHFFFAOYSA-N
-rxn:4:221453:226720,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(OC)cn1,RTIWHQCQEVRODF-UHFFFAOYSA-N
-rxn:4:221453:226843,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,QDFIYVIPUQMOGM-UHFFFAOYSA-N
-rxn:4:221453:226959,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)CC(C)(C)O5)cc3)CC2)n1,BHDASXNOMJPDFO-UHFFFAOYSA-N
-rxn:4:221453:226974,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)COC5(C)C)cc3)CC2)n1,XGWSZDVVWSJWII-UHFFFAOYSA-N
-rxn:4:221453:226990,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CCN(C)C)cc4)cc3)CC2)n1,ITWIHXBIZKMVCV-UHFFFAOYSA-N
-rxn:4:221453:227018,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C#N)cc4)cc3)CC2)n1,QBQMTIUEHDWICK-UHFFFAOYSA-N
-rxn:4:221453:227066,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)C5CC5)c4)cc3)CC2)n1,PXHSPYJIBFHXTE-UHFFFAOYSA-N
-rxn:4:221453:227077,CCC(C)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,GMTIZPQCMHGPBR-UHFFFAOYSA-N
-rxn:4:221453:227088,Cc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C(C)(C)C)n1,DSJZSYOCOLJROT-UHFFFAOYSA-N
-rxn:4:221453:227236,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,XHRNOVCKSAGPEV-UHFFFAOYSA-N
-rxn:4:221453:227254,CCCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,BZSUFKXGOKHYEY-UHFFFAOYSA-N
-rxn:4:221453:227263,CCOCc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1F,CXEKWTIFKHNSAG-UHFFFAOYSA-N
-rxn:4:221453:227271,CCOc1cc(OC)cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IMEKBSBJTLTKEA-UHFFFAOYSA-N
-rxn:4:221453:227278,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,KHXBUDOLOQEAKX-UHFFFAOYSA-N
-rxn:4:221453:227355,CCOc1ccc(C)c(F)c1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,NMQCVCFESBQZGU-UHFFFAOYSA-N
-rxn:4:221453:227365,CCOc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C)c1F,IQCYTDPVIWEBPK-UHFFFAOYSA-N
-rxn:4:221453:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,BAELPFSFQPPXES-UHFFFAOYSA-N
-rxn:4:221453:227508,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C)n1,ZWHLTZDSCYVDIG-UHFFFAOYSA-N
-rxn:4:221453:227583,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1F,LWGQDGZGYRXXII-UHFFFAOYSA-N
-rxn:4:221453:227658,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(N(C)C)cc4Cl)cc3)CC2)n1,YJTUIFBBLQSVQR-UHFFFAOYSA-N
-rxn:4:221453:227697,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cnc1Cl,IMZMINSJQIJGOQ-UHFFFAOYSA-N
-rxn:4:221456:222651,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)CC2)n1,WYVDYSFLBAEDMD-UHFFFAOYSA-N
-rxn:4:221456:223775,COc1ccc2c(c1)c(-c1ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc1)cn2C(=O)OC(C)(C)C,BHJYABPOSYRQKN-UHFFFAOYSA-N
-rxn:4:221492:224325,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)o4)CC3)n2n1,AUNPIUVDQSKMMO-UHFFFAOYSA-N
-rxn:4:221498:223787,CN1CCN(CCCOc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2F)CC1,PKHGUGVFQXSRCO-UHFFFAOYSA-N
-rxn:4:221578:223602,CN(C)C=Nc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1C#N,OWYJDRZQXNLEQS-UHFFFAOYSA-N
-rxn:4:221642:224373,COc1ccc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)cc1S(=O)(=O)N1CCCC1,NNJFTUUCOYOHEI-UHFFFAOYSA-N
-rxn:4:221726:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,GBHYBCVAPJBKGL-UHFFFAOYSA-N
-rxn:4:221731:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)s1,ZENBMVVZJFIKEP-UHFFFAOYSA-N
-rxn:4:221740:222724,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,GAQXPMWDMLDDHS-UHFFFAOYSA-N
-rxn:4:221740:223971,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cc2)n(C)c1=O,WYRKLYQSLLJXKQ-UHFFFAOYSA-N
-rxn:4:221806:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(c5ncccn5)CC4)n3)cc2[N+](=O)[O-])CC1,LJWULCLIJXFEMZ-UHFFFAOYSA-N
-rxn:4:221836:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2F)CC1,VQRRNSNDKOVHBR-UHFFFAOYSA-N
-rxn:4:221876:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(C4N=NN=N4)ccn3)c2)CC1,IBXVTJZGWSTMGT-UHFFFAOYSA-N
-rxn:4:221914:226044,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4c(F)c(F)cc([N+](=O)[O-])c4OC)cc3)n2)CC1,QBUUZTYDBOBGBX-UHFFFAOYSA-N
-rxn:4:221933:222656,CN(C(=O)c1cncc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)c1)C1CN(c2nccnc2C#N)C1,UMLXRMRGCRCJTG-UHFFFAOYSA-N
-rxn:4:221968:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CC(=O)N(C)C4CN(c5ccc6nncn6n5)C4)cc3)c(F)ccc21,ZROHLQOWQFSUIO-UHFFFAOYSA-N
-rxn:4:221975:222909,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,DCSVYSSHCNWBMZ-UHFFFAOYSA-N
-rxn:4:221977:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cnc2C1,UHICAUGRYUPCFF-UHFFFAOYSA-N
-rxn:4:221980:222584,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)sc3n2)CC1,CIXXAWQQUONBIE-UHFFFAOYSA-N
-rxn:4:222054:224796,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(S(=O)(=O)OCC(C)(C)C)c5)o4)CC3)nn2)CC1,JHXCNGGTVYDHMV-UHFFFAOYSA-N
-rxn:4:222062:225515,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCC(C)(C)CO5)cc3)CC2)n1,MUSWDIHTCHBNIT-UHFFFAOYSA-N
-rxn:4:222062:227628,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4Cl)cc3)CC2)n1,WMFDJHIPCQMSRF-UHFFFAOYSA-N
-rxn:4:222092:222657,Cc1cc(C)n2nc(C(=O)N3CCC(Oc4ncccc4-c4ccc(F)c(C(=O)NC5CCCCC5)c4)C3)nc2n1,LENNRZLMSOINRU-UHFFFAOYSA-N
-rxn:4:222108:225771,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1OC(C)C,MQCGKJGDPLJXDA-UHFFFAOYSA-N
-rxn:4:222168:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,OTHBLXPTLLOFNN-UHFFFAOYSA-N
-rxn:4:222195:222436,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cccc(C(=O)Nc4cccc(OC(F)(F)F)c4)c3)c2)CC1,YCVNNPCDKSIJES-UHFFFAOYSA-N
-rxn:4:222228:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c2Cl)CC1,POSRSRYNPSZHAQ-UHFFFAOYSA-N
-rxn:4:222332:223932,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc2c(Cl)cccc21,QBCZNRTYYUBCBS-UHFFFAOYSA-N
-rxn:4:222333:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)ccc(F)c2s1,IGEFEUABUOLHCO-UHFFFAOYSA-N
-rxn:4:222337:222956,Cc1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c(C2CCCNC2)c1,HWWSTJOSFCLSEM-UHFFFAOYSA-N
-rxn:4:222339:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cncc(N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1,DHWQVZDBDJTWFD-UHFFFAOYSA-N
-rxn:4:222380:223696,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)cc6)cn5)CC4C3)ncnc21,XMJMLWTYOKXHHJ-UHFFFAOYSA-N
-rxn:4:222389:199697,CCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XZYZJVGMKAHORU-UHFFFAOYSA-N
-rxn:4:222389:206600,CC(C)[C@H]1COC(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)=N1,IAXNQXWLVRPCMB-RUZDIDTESA-N
-rxn:4:222402:218710,CCCNC(=O)Nc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,JJSLHBUMXPMBNX-UHFFFAOYSA-N
-rxn:4:222491:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(NC(=O)OCc5ccccc5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ANUUSSOCHLITPZ-UHFFFAOYSA-N
-rxn:4:222513:186460,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc([N+](=O)[O-])c(C)cc1OCC1CC1,WZTWVFZUEBSOEY-UHFFFAOYSA-N
-rxn:4:222513:194644,C=C1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c1,YEOAYTVBEIKUPM-UHFFFAOYSA-N
-rxn:4:222522:219534,COc1ccc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,NPGZPXAIQFLKEI-UHFFFAOYSA-N
-rxn:4:222571:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZVTINFHRYMAGHR-UHFFFAOYSA-N
-rxn:4:222581:187495,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc12,VUHSJWVMKJHFJZ-UHFFFAOYSA-N
-rxn:4:222602:187446,CC(C)Cc1cc(-c2ccc(C(=O)N=C(c3ccccc3)C(C)(C)C)cc2)c(S(=O)(=O)NC(C)(C)C)s1,WJTJEVFJKBTRLM-UHFFFAOYSA-N
-rxn:4:222603:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC)c(NC(=O)OC(C)(C)C)cc1Cl,OLZJNVPZBMFKCS-UHFFFAOYSA-N
-rxn:4:222621:194456,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc(C2CCCNC2)n1,MFKIMEPBKNHCFA-UHFFFAOYSA-N
-rxn:4:222632:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1OC,UZSGSVDWGLEFHQ-UHFFFAOYSA-N
-rxn:4:222723:218884,O=C(c1cncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1)N1CCCC(COc2ncccn2)C1,AFTDLCDNCBFKOX-UHFFFAOYSA-N
-rxn:4:222740:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)C)nc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,UCBMGJFLOUOLNZ-UHFFFAOYSA-N
-rxn:4:222740:219506,CC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc(C2CCCNC2)n1,BNWQICGTBFRYOC-UHFFFAOYSA-N
-rxn:4:222751:214183,Cc1ccc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)cc1NC(=O)OC(C)(C)C,DIOJRPPVDRVRCB-UHFFFAOYSA-N
-rxn:4:222853:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVAJTGDQSBHTJP-UHFFFAOYSA-N
-rxn:4:222910:218710,CCCNS(=O)(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)c1,WJOQWGCKSHCGQC-UHFFFAOYSA-N
-rxn:4:222920:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPITUNHHBLIMMZ-UHFFFAOYSA-N
-rxn:4:222950:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)NOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GHXFHEVFZPZWRK-UHFFFAOYSA-N
-rxn:4:222971:185535,COC(=O)[C@@H]1Cc2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2CN1C(=O)OC(C)(C)C,QMALTMWXSGNLPQ-QFIPXVFZSA-N
-rxn:4:222971:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)C(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JWMGYOMFOISUSJ-UHFFFAOYSA-N
-rxn:4:222972:213998,CC1CN(c2cncc(-c3ccccc3NC(=O)C(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,XZERCFHTACEEJF-UHFFFAOYSA-N
-rxn:4:222982:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FRBVLLCNDDIGGX-VETVTEPKSA-N
-rxn:4:223051:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)NC5CC5)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WVZPXNDKKRRWFT-UHFFFAOYSA-N
-rxn:4:223080:178364,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)CC3C(=O)CC(C)(C)CC3=O)cc2)cc1,YTDIDYCWFUBLGU-UHFFFAOYSA-N
-rxn:4:223080:185410,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1,YRLANLLBBUMDGZ-UHFFFAOYSA-N
-rxn:4:223092:204114,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c1,FAPJVLIMKWIEAV-UHFFFAOYSA-N
-rxn:4:223500:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUNNOEBXTXRUNZ-UHFFFAOYSA-N
-rxn:4:223520:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MVYHCSWCEDLHTL-UHFFFAOYSA-N
-rxn:4:223570:206963,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)c(F)ncc21,PAIPTYPUGDFUDJ-UHFFFAOYSA-N
-rxn:4:223581:194587,COC(=O)c1cccc2cc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)n(C(=O)OC(C)(C)C)c12,SHYKQMBIQXLTAL-UHFFFAOYSA-N
-rxn:4:224130:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AJQRLPLIBARFHP-UHFFFAOYSA-N
-rxn:5:177180:225639:223065,CCOC(=O)c1c(C)cc(-c2cccnc2N2CCC(C)CC2)cc1-c1ccc(N2CCNCC2)cc1F,GACZNMJGOJQNPF-UHFFFAOYSA-N
-rxn:5:177181:225507:223062,COC(=O)C1CCc2cc(-c3ccc(C(=O)OC(C)C)cc3-c3cnc(C4CCNCC4)cc3F)ccc21,AJYJZJYSAIOZIO-UHFFFAOYSA-N
-rxn:5:177185:223061:225598,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cccc(CN2CCSCC2)c1,PGDAXVGUQQZORJ-UHFFFAOYSA-N
-rxn:5:177186:226661:223063,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C,OOLJUMGDHYITCU-UHFFFAOYSA-N
-rxn:5:177186:226662:223065,CCOC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,RQRCWBUNDNTXIW-UHFFFAOYSA-N
-rxn:5:177190:222984:226583,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccc(CN3CCC(O)C3)cc2)c1,PBPKQIIVEQGJBT-UHFFFAOYSA-N
-rxn:5:177190:222990:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,BLIHQRVWFCWERF-UHFFFAOYSA-N
-rxn:5:177190:222992:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3O)cc2)c1,ZSOAVVBPLDFWMY-UHFFFAOYSA-N
-rxn:5:177190:222993:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCCC3O)c2)c1,PNUFEWAFEMLETG-UHFFFAOYSA-N
-rxn:5:177190:222993:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc(N3CCCCC3O)c2)c1,VNEGOWVAJHPQKO-UHFFFAOYSA-N
-rxn:5:177190:222995:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCC(O)C3)c2)c1,DXFWXVDBCHRHJY-UHFFFAOYSA-N
-rxn:5:177190:223056:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,BIUAGJNHFPMZHN-UHFFFAOYSA-N
-rxn:5:177190:225407:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C3CCCCCC3)cc2)c1,VGGSGTSVMDRFCZ-UHFFFAOYSA-N
-rxn:5:177190:225466:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)cc2)c1,JRPPOSGFFVEFEL-UHFFFAOYSA-N
-rxn:5:177190:225466:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCCCC3C)cc2)c1,BSZLSMZAUHMSAH-UHFFFAOYSA-N
-rxn:5:177190:225469:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCCC(C)C3)cc2)c1,XEOLWNDQJIFQMM-UHFFFAOYSA-N
-rxn:5:177190:225472:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCCCC3C)c2)c1,NJNSBWPZFGBVKC-UHFFFAOYSA-N
-rxn:5:177190:225472:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc(N3CCCCC3C)c2)c1,KKTKCTVAITYVFM-UHFFFAOYSA-N
-rxn:5:177190:225472:225656,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(-c2cccc(N3CCCCC3C)c2)c1,DMSBNASXFNZVCL-UHFFFAOYSA-N
-rxn:5:177190:225633:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,UNCPJMGUQCOOKF-UHFFFAOYSA-N
-rxn:5:177190:225634:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,ZMANEDBTVIDOAP-UHFFFAOYSA-N
-rxn:5:177190:225634:225466,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,AUUVRSPTPZFVEN-UHFFFAOYSA-N
-rxn:5:177190:225634:225469,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,UEGDJWQDROVSTN-UHFFFAOYSA-N
-rxn:5:177190:225634:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,CIDPPYGEUOTQFZ-UHFFFAOYSA-N
-rxn:5:177190:225636:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,URMDKHKSMANNAS-UHFFFAOYSA-N
-rxn:5:177190:225638:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,FCASMEIXKZHKNQ-UHFFFAOYSA-N
-rxn:5:177190:225639:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2cccnc2N2CCC(C)CC2)c1,YTQDHIFLLYASNK-UHFFFAOYSA-N
-rxn:5:177190:225656:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c1,YOENMBZLACFHRH-UHFFFAOYSA-N
-rxn:5:177190:225656:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2cncc(N3CCCCC3C)c2)c1,BZVGVNSRQVVQTB-UHFFFAOYSA-N
-rxn:5:177190:225656:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2cncc(N3CCCCC3C)c2)c1,ZQZIGMKWSACUOR-UHFFFAOYSA-N
-rxn:5:177190:225656:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cncc(N3CCCCC3C)c2)c1,MBITZKFCWHQWQF-UHFFFAOYSA-N
-rxn:5:177190:225666:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cc(F)cc(N3CCCCC3)c2)c1,GOVDFRBXFRRFBP-UHFFFAOYSA-N
-rxn:5:177190:225805:223131,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,ROTHQRQYVFOHSG-UHFFFAOYSA-N
-rxn:5:177190:225986:225849,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,USWOKNUBBYZANZ-UHFFFAOYSA-N
-rxn:5:177190:226662:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCN(C)CC3)s2)c1,HFEFUVWKAVSNTG-UHFFFAOYSA-N
-rxn:5:177190:226729:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnc(OC3CCOC3)nc2)c1,YWMLRRYHLXRYFX-UHFFFAOYSA-N
-rxn:5:177191:223006:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c(F)c2)CCC1,SFLSJJLQOIKJDI-UHFFFAOYSA-N
-rxn:5:177373:223139:225931,Cc1cc(-c2ccc(OCC3OCCO3)c(-c3ccc(C4CCNCC4)nc3)c2)cc(S(=O)(=O)N(C)C)c1,JXCQAXCCVLQAJV-UHFFFAOYSA-N
-rxn:5:177373:225805:225987,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2OCC2OCCO2)s1)N1CCOCC1,HQMZZLDCGMBSLN-UHFFFAOYSA-N
-rxn:5:177373:227804:225880,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,UEYYTXLYNWDSND-UHFFFAOYSA-N
-rxn:5:177729:226649:225438,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,WOTMLTPZQQYPKC-UHFFFAOYSA-N
-rxn:5:177732:223240:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(C3CCNC3)nc2)s1)N1CCC(O)C1,HXFOTIDCEWEGFF-UHFFFAOYSA-N
-rxn:5:177732:225438:223065,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2F)cc1)N1CCCC1,STOCIYXNWFNXRC-UHFFFAOYSA-N
-rxn:5:177732:225438:223139,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2)cc1)N1CCCC1,AWLIBTKTSDYNMC-UHFFFAOYSA-N
-rxn:5:177733:223054:223132,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(N4CCNCC4)c3)c2)s1)N1CCC(O)C1,JONJPJCGAZTYRD-UHFFFAOYSA-N
-rxn:5:177733:225638:223132,CC1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(N5CCNCC5)c4)c3)cn2)CC1,XWJGUZLTAKQNSC-UHFFFAOYSA-N
-rxn:5:177733:225982:225439,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCOCC4)cc3F)c2)c1)N1CCCC1,CRKFZXIEJYLOOR-UHFFFAOYSA-N
-rxn:5:177734:223063:226842,Cc1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2cncc(C(=O)C(F)(F)F)c2)cc1C(=O)OC(C)C,PFRJHRGDMQUFGF-UHFFFAOYSA-N
-rxn:5:177735:225631:226645,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(N3CCN(C)CC3)cc2)c1-c1ccnc(N2CCOCC2)c1,ZJRIIIRIRKOAAT-UHFFFAOYSA-N
-rxn:5:177736:225438:223135,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2C2CCCNC2)cc1)N1CCCC1,CMDMOUXPSFQQLH-UHFFFAOYSA-N
-rxn:5:177736:225438:225982,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCOCC3)cc2F)cc1)N1CCCC1,AURNVXLAMGEZSG-UHFFFAOYSA-N
-rxn:5:177736:225439:226645,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(N3CCOCC3)c2)c1)N1CCCC1,PCTGUYHLRJKWRH-UHFFFAOYSA-N
-rxn:5:177737:223061:225438,CC(c1ccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,BJTCCPAVZRCQMR-UHFFFAOYSA-N
-rxn:5:177737:225438:223065,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,NKLBGUQIGIMCIU-UHFFFAOYSA-N
-rxn:5:177737:225833:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,YNNMUOGJJYXUJC-UHFFFAOYSA-N
-rxn:5:177739:223133:225439,CC(c1cccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccccc2N2CCNCC2)c1)N1CCCC1,AVQXXHCBSBGEII-UHFFFAOYSA-N
-rxn:5:177739:225439:223062,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cnc(C3CCNCC3)cc2F)c1)N1CCCC1,NBYCOALWPRNBFE-UHFFFAOYSA-N
-rxn:5:177739:225632:223138,CN1CCN(c2cccc(-c3cccc(C(=O)OC(C)(C)C)c3-c3ccnc(C4CCNCC4)c3)c2)CC1,DFVILAKHIXMUOW-UHFFFAOYSA-N
-rxn:5:177851:223135:226731,CCOc1c(-c2ccccc2S(=O)(=O)N(C)C)cc(C2OCCO2)cc1-c1cccnc1C1CCCNC1,YJHZXPKUWNBJQV-UHFFFAOYSA-N
-rxn:5:177891:223139:227446,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)cc1)c1ccccc1-c1ccc(C2CCNCC2)nc1,DCPXBIKEEUVVFG-UHFFFAOYSA-N
-rxn:5:177891:223148:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccccc1C1CNCCO1,JGVOVNGARMOARI-UHFFFAOYSA-N
-rxn:5:177891:223295:225803,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCOCC3)c2)c1,AJDJIYCVUPJBIC-UHFFFAOYSA-N
-rxn:5:177891:226590:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(OC2CCOC2)nc1,CEEKQTMFDVLPHE-UHFFFAOYSA-N
-rxn:5:177891:226644:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cncc(N2CCOCC2)c1,WMEPENRKORTFJY-UHFFFAOYSA-N
-rxn:5:177891:226645:226665,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCCOC2)nc1)c1ccccc1-c1ccnc(N2CCOCC2)c1,GXHSFAVWHHSBGF-UHFFFAOYSA-N
-rxn:5:177891:226649:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3N3CCOCC3)s2)CC1,CJOWISPBTFTAHI-UHFFFAOYSA-N
-rxn:5:177891:226662:223146,CN1CCN(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccc(C4CNCCO4)c3)s2)CC1,HXVCFCPDCJHUJJ-UHFFFAOYSA-N
-rxn:5:177891:227119:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cc(C2CCCCC2)cs1,YAGXRMYXJQCTIZ-UHFFFAOYSA-N
-rxn:5:177891:227404:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cc(N2CCCCC2)cs1,OMYJBWFGFVONRI-UHFFFAOYSA-N
-rxn:5:177891:227437:226661,CN1CCN(c2csc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCO4)c3)c2)CC1,LKUQUVBIYUGAAG-UHFFFAOYSA-N
-rxn:5:177891:227438:225465,CN1CCC(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOC4)c3)c2)CC1,XGFSQFLNBQNGIJ-UHFFFAOYSA-N
-rxn:5:177891:227449:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(C2CCOCC2)s1,SQXLLINTZVYYDU-UHFFFAOYSA-N
-rxn:5:177891:227517:226366,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCCCC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,XNKCTZNGUBRUCH-UHFFFAOYSA-N
-rxn:5:177891:227625:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnc(C2CCCO2)nc1,BNTNGDNPWCTJLG-UHFFFAOYSA-N
-rxn:5:177891:227654:226426,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)s2)CC1,UMVXFWSXCOQVHW-UHFFFAOYSA-N
-rxn:5:177891:227654:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)s2)CC1,DKIVYFGUEVIEPI-UHFFFAOYSA-N
-rxn:5:177891:227656:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,JJMGHCZKTMMHFI-UHFFFAOYSA-N
-rxn:5:177891:227657:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,FTIRHWVVPXJSTR-UHFFFAOYSA-N
-rxn:5:177891:227657:226644,O=C(SC1CS(=O)(=O)CC1c1cncc(N2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,YXLLDKYNBGQDQX-UHFFFAOYSA-N
-rxn:5:177891:228211:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1cc(N2CCCC2)cs1,HUPHDXYYZLEPFQ-UHFFFAOYSA-N
-rxn:5:177891:228628:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cc(C2CCC2)cs1,JCMYGSLUWKCMER-UHFFFAOYSA-N
-rxn:5:178118:226179:226045,FC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3cncc(C4CCCCC4)c3)c(OCC3CCCCO3)c2)cn1,ZHPXITGLSXPQLO-UHFFFAOYSA-N
-rxn:5:178119:223018:227343,COC(=O)c1cc(C)cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,GYFWDSJKAIDCGV-UHFFFAOYSA-N
-rxn:5:178224:223065:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(N4CCNCC4)cc3F)c2)c([N+](=O)[O-])s1,HDVYRFCNLVQTLI-UHFFFAOYSA-N
-rxn:5:178224:225674:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3cnc(C4CCCCC4)cc3F)c1)OCCO2,TZKDQAIXSGSIAK-UHFFFAOYSA-N
-rxn:5:178224:225831:227505,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2)cnc1N1CCOCC1,NKAANJUKSGQGCH-VAWYXSNFSA-N
-rxn:5:178225:225884:227589,Cc1cc(OC(F)F)cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3COCCO3)c(F)c2)c1,QLNOWLFTXVSOJM-UHFFFAOYSA-N
-rxn:5:178226:223006:227804,O=[N+]([O-])c1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])s1,LSIDBNGYNZFXSE-UHFFFAOYSA-N
-rxn:5:178278:225849:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1cnc(N2CCCCC2)cc1F,ICRWLPFDZQSLPN-UHFFFAOYSA-N
-rxn:5:178295:223230:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,IMYHJDQVVOAGQJ-UHFFFAOYSA-N
-rxn:5:178295:223284:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,JQXFBTNNOPCIAV-UHFFFAOYSA-N
-rxn:5:178295:223284:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,JYJCAONREQANQP-UHFFFAOYSA-N
-rxn:5:178295:223288:228415,CNS(=O)(=O)c1cccc(-c2ccc(-c3cc(F)ccc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RGPZCGMIIHFISB-UHFFFAOYSA-N
-rxn:5:178295:223401:226059,CNc1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,GACGQVVIHUJTBN-UHFFFAOYSA-N
-rxn:5:178295:225507:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AXASBOWCLMZKSW-UHFFFAOYSA-N
-rxn:5:178295:225507:228562,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OEWLMUYLQYLQPV-UHFFFAOYSA-N
-rxn:5:178295:225886:226191,COC(=O)C1(c2cc(-c3cc(C4CCCC4)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,URYWKNQRZVICMT-UHFFFAOYSA-N
-rxn:5:178295:226058:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ZNPVJBGRSGHQJM-UHFFFAOYSA-N
-rxn:5:178295:226058:227903,CCN(C)c1cccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IHQRPNLQRYDFEC-UHFFFAOYSA-N
-rxn:5:178295:226059:223401,CNc1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1C,ZXDHUKLNOFJKEK-UHFFFAOYSA-N
-rxn:5:178295:226059:228766,CCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,QKWOHUCEMHECPC-UHFFFAOYSA-N
-rxn:5:178295:226064:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(C3CCCCC3)cc2)CCC(=O)CC1,LEHVIXCIYBFNSQ-UHFFFAOYSA-N
-rxn:5:178295:226068:228812,COC(=O)C1(c2cc(-c3c(F)cccc3SC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,IGINCVNXEQYRCW-UHFFFAOYSA-N
-rxn:5:178295:226144:228630,CCc1cc(F)cc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZLWBWKGSEMJNSS-UHFFFAOYSA-N
-rxn:5:178295:226149:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2ccc(OC)c(C(C)(C)C)c2)CCC(=O)CC1,IIAUIOSCCJCFCZ-UHFFFAOYSA-N
-rxn:5:178295:226153:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LCHGYQPHRMZXEX-UHFFFAOYSA-N
-rxn:5:178295:226211:227818,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)CCN4C(C)=O)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IHTQGDRUIZIUFJ-UHFFFAOYSA-N
-rxn:5:178295:226322:227977,COC(=O)C1(c2cc(-c3cc(C)c(OC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,ULGWMGAIFSVEAJ-UHFFFAOYSA-N
-rxn:5:178295:226350:228588,CC#Cc1cc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,PSBBSPKQBOIUFI-UHFFFAOYSA-N
-rxn:5:178295:226575:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)N(C)C)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,IPNPOQIPQKOKML-UHFFFAOYSA-N
-rxn:5:178295:226582:228582,COC(=O)C1(c2cc(-c3cnccc3C(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,NJMICQCPAOREKA-UHFFFAOYSA-N
-rxn:5:178295:226582:228768,CCc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,NZTJJYJFOHTZKD-UHFFFAOYSA-N
-rxn:5:178295:226764:228146,CCc1cncc(-c2ccc(-c3ccc(F)c(C(=O)OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,UGDSAYSCYJOAGX-UHFFFAOYSA-N
-rxn:5:178295:226771:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(F)c(F)cc2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,WKIGAYKSBVDEKY-UHFFFAOYSA-N
-rxn:5:178295:226771:228767,CCc1cc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,GVNNMBUTPWFWEV-UHFFFAOYSA-N
-rxn:5:178295:226772:227932,COCc1ccc(C)c(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UOTIPSLSGATJHT-UHFFFAOYSA-N
-rxn:5:178295:226907:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,RYKJZCWBUHYLMR-UHFFFAOYSA-N
-rxn:5:178295:226907:228179,COCc1cc(F)cc(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LCNFBBYBDJMWRC-UHFFFAOYSA-N
-rxn:5:178295:226910:226916,CCC(C)(C)c1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,GCBGJTFDTKARHU-UHFFFAOYSA-N
-rxn:5:178295:226911:228283,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(F)cc2C(C)=O)cc1C1(C(=O)OC)CCC(=O)CC1,UKIGSTOTIOGNPQ-UHFFFAOYSA-N
-rxn:5:178295:226911:228393,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(F)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,DBNJXDKBMDVPDW-UHFFFAOYSA-N
-rxn:5:178295:226912:228106,CCC(C)c1ncc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CUXLMSCTWYFKSN-UHFFFAOYSA-N
-rxn:5:178295:226914:228333,COC(=O)C1(c2cc(-c3c(SC)ccnc3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,JQAWMXGGMPNGOJ-UHFFFAOYSA-N
-rxn:5:178295:226917:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2cc(C)cc(C(C)(C)C)c2)CCC(=O)CC1,IUZKTSWYGSMNPG-UHFFFAOYSA-N
-rxn:5:178295:226923:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LYEXFVKCLPTSDF-UHFFFAOYSA-N
-rxn:5:178295:226926:227863,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCO4)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,DDQSWEUUFIMTFS-UHFFFAOYSA-N
-rxn:5:178295:226926:228144,CCCc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,CJSAIKMZFKJQPH-UHFFFAOYSA-N
-rxn:5:178295:226959:228567,CCC(C)c1sccc1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)c(C2(C(=O)OC)CCC(=O)CC2)c1,STOOCTUXIQFEDK-UHFFFAOYSA-N
-rxn:5:178295:226973:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,UQBNJWBHCCXMFP-UHFFFAOYSA-N
-rxn:5:178295:226973:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,BXPHOOLSUZIKGT-UHFFFAOYSA-N
-rxn:5:178295:226974:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,RAHQIOBNLFMBBN-UHFFFAOYSA-N
-rxn:5:178295:226974:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,WYUYGGGIFDZPIK-UHFFFAOYSA-N
-rxn:5:178295:227021:227946,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3)ccc2-c2ccc(C3(C#N)CC3)cc2)CCC(=O)CC1,WESVHJUFMWEHCM-UHFFFAOYSA-N
-rxn:5:178295:227039:227943,COC(=O)C1(c2cc(-c3cc(C)ccc3N(C)C)ccc2-c2ccc(OC(C)(C)C)cc2)CCC(=O)CC1,VJTWGSPXKPGULK-UHFFFAOYSA-N
-rxn:5:178295:227041:227051,CCOc1cc(C)c(-c2ccc(-c3ccc(C(=O)CC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,WDJYGCITBLYXEV-UHFFFAOYSA-N
-rxn:5:178295:227045:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,XAIMZYSOMNRNEA-UHFFFAOYSA-N
-rxn:5:178295:227048:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,RAJAOLBJGIRUEQ-UHFFFAOYSA-N
-rxn:5:178295:227050:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(OC(C)C)c(C)c2)CCC(=O)CC1,JPGXXWGDZPMUCW-UHFFFAOYSA-N
-rxn:5:178295:227051:227970,CCC(=O)c1ccc(-c2ccc(-c3ccncc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ZIIATFNYZQADOW-UHFFFAOYSA-N
-rxn:5:178295:227064:227950,COC(=O)C1(c2cc(-c3cc(N(C)C)ccc3C)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,OCTSUYCHXOFVKI-UHFFFAOYSA-N
-rxn:5:178295:227065:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,DECKOGULKBVRRN-UHFFFAOYSA-N
-rxn:5:178295:227068:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(CC(C)C)cc2F)CCC(=O)CC1,SIUNAIYCMDMOLV-UHFFFAOYSA-N
-rxn:5:178295:227069:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,XRQLMGSDPYTWHG-UHFFFAOYSA-N
-rxn:5:178295:227069:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,YHXLAOVUKWUPQK-UHFFFAOYSA-N
-rxn:5:178295:227069:227817,COC(=O)C1(c2cc(-c3ccccc3CC(C)C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,ZZPMVIWXNSTZOA-UHFFFAOYSA-N
-rxn:5:178295:227069:227920,CCC(=O)c1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NHIPKYVHZQQKRT-UHFFFAOYSA-N
-rxn:5:178295:227069:227999,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,FINSLAPYWXTKKN-UHFFFAOYSA-N
-rxn:5:178295:227069:228079,COC(=O)C1(c2cc(-c3cccc4c3COC4=O)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,ULOYQSOKSAQZOL-UHFFFAOYSA-N
-rxn:5:178295:227071:227591,COCc1cc(C)c(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ZQRAAPJFBLTMJQ-UHFFFAOYSA-N
-rxn:5:178295:227076:227591,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YPDSYARETVKHRK-UHFFFAOYSA-N
-rxn:5:178295:227076:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(C)CC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JLRWZYCLFULNBA-UHFFFAOYSA-N
-rxn:5:178295:227077:228326,CCC(C)c1ccc(-c2ccc(-c3cc(OC)nc(OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KCNAADFBCDFBEM-UHFFFAOYSA-N
-rxn:5:178295:227107:227917,CCc1ccc(OC)c(-c2ccc(-c3cc(C)cc(C4CC4)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OOIFMLAAKQINFV-UHFFFAOYSA-N
-rxn:5:178295:227120:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C3CCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,AIJALDWRYUUWCO-UHFFFAOYSA-N
-rxn:5:178295:227124:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,UCPQBMQZWXAYLN-UHFFFAOYSA-N
-rxn:5:178295:227286:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,NSQFWFPXWSDQHH-UHFFFAOYSA-N
-rxn:5:178295:227309:228275,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,MOIDRFHLFCXIPD-UHFFFAOYSA-N
-rxn:5:178295:227311:227926,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(SC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PLHOZPJPGUCQGL-UHFFFAOYSA-N
-rxn:5:178295:227312:228463,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(F)F)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,YOIYJUCFXLCZHD-UHFFFAOYSA-N
-rxn:5:178295:227341:227309,CCC(C)c1cc(-c2ccc(-c3cccc(OC(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,MEZBCROZCKFZNU-UHFFFAOYSA-N
-rxn:5:178295:227361:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,JMGYTNYTJXOHTQ-UHFFFAOYSA-N
-rxn:5:178295:227529:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LFXKRCLLMQGESX-UHFFFAOYSA-N
-rxn:5:178295:227529:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KNHVGRDATVSHFE-UHFFFAOYSA-N
-rxn:5:178295:227541:228000,CCOc1cc(F)c(-c2ccc(-c3cc(C)c(C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,JPPLKWGKJCUNRG-UHFFFAOYSA-N
-rxn:5:178295:227560:227909,CCC(C)c1cc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,KNFBGMDGXIVABK-UHFFFAOYSA-N
-rxn:5:178295:227587:227907,CCC(C)c1cncc(-c2ccc(-c3cc(F)c(OC)c(OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LCDZGPQNQITIHW-UHFFFAOYSA-N
-rxn:5:178295:227591:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SJBWNMLHVQOZHJ-UHFFFAOYSA-N
-rxn:5:178295:227696:227941,COCc1cc(C)cc(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KLYVSMIDEHMZMY-UHFFFAOYSA-N
-rxn:5:178295:227706:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)cnc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LATWGMUDQZHKOE-UHFFFAOYSA-N
-rxn:5:178295:227807:227041,CCOc1cc(C)c(-c2ccc(-c3cccc4c3CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,YZMGHEXEUSFOQO-UHFFFAOYSA-N
-rxn:5:178295:227808:227562,COC(=O)C1(c2cc(-c3c(F)ccc(OC)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,JSAHSXZGWWXCLK-UHFFFAOYSA-N
-rxn:5:178295:227813:226946,CCc1cccc(CC)c1-c1ccc(-c2ccc3c(c2)CCN(C)C3)cc1C1(C(=O)OC)CCC(=O)CC1,LYRFLFFSDYHRRJ-UHFFFAOYSA-N
-rxn:5:178295:227815:227063,CCC(C)c1ccccc1-c1ccc(-c2ccc(C)cc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,SYNKRAITQJLFDI-UHFFFAOYSA-N
-rxn:5:178295:227815:227319,CCC(C)c1ccccc1-c1ccc(-c2cc(CC(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HTJHXKGEMAEYPD-UHFFFAOYSA-N
-rxn:5:178295:227816:223270,CCCc1ccc(-c2ccc(-c3ccc(F)cc3NC(C)=O)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VUNNJEAKKIWJJE-UHFFFAOYSA-N
-rxn:5:178295:227816:227319,CCCc1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,QCNYXMCQWAIETP-UHFFFAOYSA-N
-rxn:5:178295:227818:225395,CCC(C)c1cccc(-c2ccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KBDXRHIFTJPWHK-UHFFFAOYSA-N
-rxn:5:178295:227818:226580,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UDMZAUGKFZXAFQ-UHFFFAOYSA-N
-rxn:5:178295:227818:227309,CCC(C)c1cccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AXYRHRUBXTUBNE-UHFFFAOYSA-N
-rxn:5:178295:227819:223284,CCc1cc(CC)cc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BBGYOWBACAZKRD-UHFFFAOYSA-N
-rxn:5:178295:227819:227023,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WBMZVHZEZBQDOA-UHFFFAOYSA-N
-rxn:5:178295:227819:227326,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LQEQMHNDOXTVNI-UHFFFAOYSA-N
-rxn:5:178295:227819:227340,CCc1cc(CC)cc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IGFLQCIJTFOBLU-UHFFFAOYSA-N
-rxn:5:178295:227822:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2c(C)cccc2C(C)C)CCC(=O)CC1,MCUZTYAPAIYXLA-UHFFFAOYSA-N
-rxn:5:178295:227833:226603,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,JKFLESFHWALIBA-UHFFFAOYSA-N
-rxn:5:178295:227836:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(C)cc2C2CC2)CCC(=O)CC1,UFBFPRCHZXHEIS-UHFFFAOYSA-N
-rxn:5:178295:227836:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VWKSINBTVHIHEW-UHFFFAOYSA-N
-rxn:5:178295:227837:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cc(C)cc(C3CC3)c2)CCC(=O)CC1,YSJZRSCPNXBITO-UHFFFAOYSA-N
-rxn:5:178295:228079:227043,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3C)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,CPXQXSQFBCCENI-UHFFFAOYSA-N
-rxn:5:178295:228106:227344,CCC(C)c1ncc(-c2ccc(-c3ccc(OC(C)C)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XEKHLIGRUKNUGP-UHFFFAOYSA-N
-rxn:5:178295:228141:227529,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,KKCSWBMUYMZIFY-UHFFFAOYSA-N
-rxn:5:178295:228153:227346,CCCc1cc(F)c(-c2ccc(-c3cc(OC)cc(OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,HCYZSMLOTINTMZ-UHFFFAOYSA-N
-rxn:5:178295:228156:227337,COC(=O)C1(c2cc(-c3cc(F)ccc3OC(C)C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,LUYDCCXZKIUOGA-UHFFFAOYSA-N
-rxn:5:178295:228157:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,KIIXFIZFHNPZDQ-UHFFFAOYSA-N
-rxn:5:178295:228179:227069,COCc1cc(F)cc(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CLLHNJAVFKSFNN-UHFFFAOYSA-N
-rxn:5:178295:228179:227301,COCc1cc(F)cc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SGRNOIJBTGAJLE-UHFFFAOYSA-N
-rxn:5:178295:228181:227100,COCc1cc(F)ccc1-c1ccc(-c2c(C)cc(C3CC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,BWLAUOTURCQZPK-UHFFFAOYSA-N
-rxn:5:178295:228227:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(C(C)C)nc2F)CCC(=O)CC1,LLBLUUMGKCJPBS-UHFFFAOYSA-N
-rxn:5:178295:228231:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,IZILCGSORNLPAL-UHFFFAOYSA-N
-rxn:5:178295:228267:226946,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN(C)C4)ccc2-c2c(F)ccc(C)c2OC)CCC(=O)CC1,PMSWCVUWWKYNCN-UHFFFAOYSA-N
-rxn:5:178295:228276:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(F)c(C)c2OC)CCC(=O)CC1,VFEOPJKHMSSIPJ-UHFFFAOYSA-N
-rxn:5:178295:228278:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(F)c(C)cc2OC)CCC(=O)CC1,CITCGIZHBBTURR-UHFFFAOYSA-N
-rxn:5:178295:228388:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,ZIMVRNISHKSQRN-UHFFFAOYSA-N
-rxn:5:178295:228505:226059,CCCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ZBXMYBLKRZRIKP-UHFFFAOYSA-N
-rxn:5:178295:228509:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2ccc(C(C)C)cc2)CCC(=O)CC1,UJQAPDLGJSAHJS-UHFFFAOYSA-N
-rxn:5:178295:228562:226916,CCC(C)c1csc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MQFCOSVBPROBTJ-UHFFFAOYSA-N
-rxn:5:178295:228562:227402,CCC(C)c1csc(-c2ccc(-c3cc(F)nc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KAPFGIJYELUCOP-UHFFFAOYSA-N
-rxn:5:178295:228567:226907,CCC(C)c1sccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,GBEOOTBIUWJAKZ-UHFFFAOYSA-N
-rxn:5:178295:228621:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc(C)cc2SC)CCC(=O)CC1,UDEXWNFLORSCHR-UHFFFAOYSA-N
-rxn:5:178295:228624:226153,COC(=O)C1(c2cc(-c3cc(C4CC4)c(OC)cc3C)ccc2-c2ccc(C)c(SC)c2)CCC(=O)CC1,XTXWSIBOFKNOBS-UHFFFAOYSA-N
-rxn:5:178295:228630:226062,CCc1cc(F)cc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WCMGRASJEARLKK-UHFFFAOYSA-N
-rxn:5:178295:228636:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2c(C)cc(F)cc2C)CCC(=O)CC1,STVUPNZXBVSJCZ-UHFFFAOYSA-N
-rxn:5:178295:228653:225881,COC(=O)C1(c2cc(-c3ccc(C4CCOCC4)nc3F)ccc2-c2cnn3c2CCCC3)CCC(=O)CC1,XQMOPMJCIWTXPQ-UHFFFAOYSA-N
-rxn:5:178295:228774:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2c(F)cccc2OC)CCC(=O)CC1,VMLLOMQZEOBTSQ-UHFFFAOYSA-N
-rxn:5:178295:228803:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc([Si](C)(C)C)cs2)CCC(=O)CC1,HYWWMGSNRGKXCL-UHFFFAOYSA-N
-rxn:5:178295:228871:227312,CCC(C)c1ccc(-c2ccc(-c3sccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,AMRWZWBABSFWCY-UHFFFAOYSA-N
-rxn:5:178295:229081:223063,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccc(N(C)C)s2)CCC(=O)CC1,FRCXBKJMNVEHAD-UHFFFAOYSA-N
-rxn:5:178313:225440:225935,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc(C(F)(F)F)n1,HQYCQPLRQZRTJY-UHFFFAOYSA-N
-rxn:5:178313:226146:226840,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cc(C#N)nc(C(F)(F)F)c2)c1,KAAOQEXQHNYRNL-UHFFFAOYSA-N
-rxn:5:178313:226366:222991,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(N3CCCC(O)C3)cc2)c1,GIBPFMSPLAFVHB-UHFFFAOYSA-N
-rxn:5:178313:227065:223018,CC(C)C(=O)c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,FOPQCLFMOUSKEY-UHFFFAOYSA-N
-rxn:5:178314:226155:223136,CC(=O)c1cc(-c2ccc(-c3ccncc3C3CCCNC3)c(O[Si](C)(C)C(C)(C)C)c2)cc(C2CC2)c1,VHCOUXMKBBOLBV-UHFFFAOYSA-N
-rxn:5:178353:225833:226366,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2C)ccc1-c1ccnc(N2CCCCC2)c1,DSWZBEINDBMDOB-UHFFFAOYSA-N
-rxn:5:178368:226763:225813,COC(=O)c1c(F)cc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(F)c(OC(C)C)c(F)c4C)c(C)c3)cc2C)cc1F,LTLUVNSVOJSSMM-UHFFFAOYSA-N
-rxn:5:178466:223062:223062,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,DCOZPTWIQRXOPM-UHFFFAOYSA-N
-rxn:5:178466:225976:226654,CC1CCN(c2nc(-c3c(C(=O)OC(C)C)sc4cc(-c5ccnc(N6CCOCC6)c5F)ccc34)cs2)CC1,OEPXQFGOKGHXKG-UHFFFAOYSA-N
-rxn:5:178466:225980:225833,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,KGKNJMPICICSMS-UHFFFAOYSA-N
-rxn:5:178467:223058:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,HUPQYRBJTAYFSF-UHFFFAOYSA-N
-rxn:5:178467:223061:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,DLHFZRUWQSACLT-UHFFFAOYSA-N
-rxn:5:178467:223061:227508,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C(=O)OC)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,BMLKDGMVUOLMOV-UHFFFAOYSA-N
-rxn:5:178467:223062:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,FDOBEKNXSPNBEM-UHFFFAOYSA-N
-rxn:5:178467:223062:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,UZLJYYXAEJEWBX-UHFFFAOYSA-N
-rxn:5:178467:223062:227983,CCOC(=O)C1=Cc2cc(-c3ccccc3[Si](C)(C)C)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,PJUUUALNAMFRQT-UHFFFAOYSA-N
-rxn:5:178467:223062:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ZDSGNOUDTAVUQP-UHFFFAOYSA-N
-rxn:5:178467:223134:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnccc3C3CCCNC3)c2OC1,HMOPVHQEBMPGKD-UHFFFAOYSA-N
-rxn:5:178467:223148:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccccc3C3CNCCO3)c2OC1,WVEMMBJSKSUUAK-UHFFFAOYSA-N
-rxn:5:178467:223281:225465,CCOC(=O)C1=Cc2cc(-c3cccc(C4CCN(C)CC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,FTXLUICMOQSVTI-UHFFFAOYSA-N
-rxn:5:178467:223294:227768,CCOC(=O)C1=Cc2cc(-c3cccn3S(=O)(=O)N(C)C)cc(-c3csc(N4CCNCC4)n3)c2OC1,UHDMUIAANFSFKO-UHFFFAOYSA-N
-rxn:5:178467:225499:228255,CCOC(=O)C1=Cc2cc(-c3ccc(C)c(F)c3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,XHMSZIKFCXEJPY-UHFFFAOYSA-N
-rxn:5:178467:225637:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccccc3N3CCN(C)CC3)c2OC1,AXTQKONUHLBDRZ-UHFFFAOYSA-N
-rxn:5:178467:225976:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,QMUAHZKRXBBIIS-UHFFFAOYSA-N
-rxn:5:178467:225980:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,YCPOTSMWLWVKLA-UHFFFAOYSA-N
-rxn:5:178467:225982:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,DYWZGUGHFJZKSU-UHFFFAOYSA-N
-rxn:5:178467:226190:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3ccc(C4CCCC4)cc3F)c2OC1,FRJHIWDQKQEOHL-UHFFFAOYSA-N
-rxn:5:178467:226329:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(C4(C#N)CC4)c(F)c3)c2OC1,DYVCXIHYYXUGBS-UHFFFAOYSA-N
-rxn:5:178467:226414:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(C4=NCCCO4)cc3)c2OC1,NKUFPOWJPWGWFF-UHFFFAOYSA-N
-rxn:5:178467:226437:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,WLDFIWBLDDRFNV-UHFFFAOYSA-N
-rxn:5:178467:226645:226959,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(C)(C)O4)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,GQXDRGLPACHYEA-UHFFFAOYSA-N
-rxn:5:178467:226665:227297,CCOC(=O)C1=Cc2cc(-c3cc(CN(C)C)ccc3F)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,LRVDJYOLLDDXLL-UHFFFAOYSA-N
-rxn:5:178467:226679:225639,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,LWZDKIOCRZNDTI-UHFFFAOYSA-N
-rxn:5:178467:226794:226581,CCOC(=O)C1=Cc2cc(-c3cccc(C(=O)N(C)C)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,QJVLJZGPUHGIEG-UHFFFAOYSA-N
-rxn:5:178467:226794:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,OZUYGVHYUYWHID-UHFFFAOYSA-N
-rxn:5:178467:227028:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cccc(C4(C#N)CC4)c3)c2OC1,OBIGTOZXWZFTPV-UHFFFAOYSA-N
-rxn:5:178467:227703:223132,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCNCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,JRLIVMDTHRLZJU-UHFFFAOYSA-N
-rxn:5:178467:227803:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,ZZHGEXGWMLEGRJ-UHFFFAOYSA-N
-rxn:5:178467:228132:222986,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCCNC4)c3)cc(-c3cccc(CC#N)c3F)c2OC1,DHXSSCHUMNCHHN-UHFFFAOYSA-N
-rxn:5:178467:228695:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3csc(CN(C)C)c3)c2OC1,KRMOCIAPXLWRHL-UHFFFAOYSA-N
-rxn:5:178467:228974:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,BOQDYZYRYOHPCD-UHFFFAOYSA-N
-rxn:5:178556:223008:225601,N#CC1(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ccc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CCC1,WVUBPXQBBBMBLK-UHFFFAOYSA-N
-rxn:5:178556:226139:225601,N#CC1(c2ccc(-c3ccc(-c4cc(C5CC5)cnc4C4CC4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CCC1,GGGLNGKGHQGDGB-UHFFFAOYSA-N
-rxn:5:179396:225805:225985,CC(c1ccc(-c2ccc(C(=O)C3CC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)s1)N1CCOCC1,KZDSDEMOTWITPL-UHFFFAOYSA-N
-rxn:5:179400:225637:225805,CC(c1ccc(-c2ccc(C(=O)C3CC3)cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCOCC1,SUDFQHFCEWDELH-UHFFFAOYSA-N
-rxn:5:179418:225805:225622,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2OC2CCCCO2)s1)N1CCOCC1,GQOTWOXTUZLOBF-UHFFFAOYSA-N
-rxn:5:179629:225803:226583,COc1ccc(-c2ccnc(OC3CCOCC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,SBIDDTDFLFWJTA-UHFFFAOYSA-N
-rxn:5:180021:225985:226583,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(CN2CCOCC2)s1,BKJPXPKCKGHBLP-UHFFFAOYSA-N
-rxn:5:180022:222956:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C)cc2C2CCCNC2)c1C1OCCO1,PACSROIKNAIDHP-UHFFFAOYSA-N
-rxn:5:180022:225672:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2cc(F)nc(C3CCCCC3)c2)c1C1OCCO1,UZEBAQUDDQVKNI-UHFFFAOYSA-N
-rxn:5:180022:225985:226414,COc1c(-c2ccc(C3=NCCCO3)cc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,YOXWYJMZIBAZHB-UHFFFAOYSA-N
-rxn:5:180022:226174:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccc(C3CCCCC3)nc2)c1C1OCCO1,DMIHZZHKAMAZGD-UHFFFAOYSA-N
-rxn:5:180095:222983:225451,OC1CCN(Cc2cccc(-c3ccc(-c4ccc(SC5CCCCC5)cc4)c(OC4CCCC4)c3)c2)C1,ZJKMNYKVEMIDJT-UHFFFAOYSA-N
-rxn:5:180297:226320:225461,COc1cc(-c2cc(C3(C#N)CC3)ccc2F)c(C2(C)OCCO2)cc1-c1ccc(N2CCCCC2)cc1C,UVBHDMJCRYLVGX-UHFFFAOYSA-N
-rxn:5:180377:223061:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1cc(C2CCNCC2)ncc1F,KMAIFAMUSVWBSW-UHFFFAOYSA-N
-rxn:5:180377:225805:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1ccc(C(C)N2CCOCC2)s1,YGYBZQJHNRDGNW-UHFFFAOYSA-N
-rxn:5:180402:226154:226059,COc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)C2CCCCC2)c(-c2ccc(C(C)C)cc2C(C)C)c1,BOLDAZNMIMWPHM-UHFFFAOYSA-N
-rxn:5:180421:223135:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cccnc1C1CCCNC1,MOJWKPUTVHMLEP-UHFFFAOYSA-N
-rxn:5:180506:225978:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccc(N3CCOCC3)nc2F)cc(C(C)(C)C)cc1C1OCCO1,DETXYZFFGNVEAB-UHFFFAOYSA-N
-rxn:5:180602:225976:225655,COC(=O)C1Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,IDAPAYBPSRFZIQ-UHFFFAOYSA-N
-rxn:5:180662:222960:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,HAJJQULUGQIKIJ-UHFFFAOYSA-N
-rxn:5:180662:223065:227087,COC(=O)C1=Cc2cc(-c3cc(C)cnc3C(C)(C)C)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,XIOSOTHJHQNCLB-UHFFFAOYSA-N
-rxn:5:180662:223131:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,BWGSAGVLERYKTP-UHFFFAOYSA-N
-rxn:5:180662:225794:226744,CCc1cc(-c2cc3c(c(-c4cnc(OC5CCCCC5)nc4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,AUQHZOJSBNNSNU-UHFFFAOYSA-N
-rxn:5:181626:225639:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cccnc2N2CCC(C)CC2)c1C1OCCO1,UQXJYSSDPIVNTN-UHFFFAOYSA-N
-rxn:5:181905:225607:223137,Cc1ccc(-c2cncc(C3CCCNC3)c2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,URHHRLSYEICULS-UHFFFAOYSA-N
-rxn:5:181906:222985:226426,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)s1,GZMBFDLCMUXZET-UHFFFAOYSA-N
-rxn:5:181907:225407:222985,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,KXYALPMRRAOQJW-UHFFFAOYSA-N
-rxn:5:183189:222990:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3ccc(N4CCC(O)CC4)cc3)c1)OC(C)(C)OC2,HDSGZFPTXXJJAQ-UHFFFAOYSA-N
-rxn:5:183189:226330:222960,Cc1cc(-c2cc3c(c(-c4ccc(C(C)N5CCCC5)s4)c2)OC(C)(C)OC3)cc(C2CCNCC2)c1,QMFSXZXQOXOJRQ-UHFFFAOYSA-N
-rxn:5:183227:225811:222990,CC1(C)CCOc2c(-c3ccc(N4CCC(O)CC4)cc3)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc21,GOEMDDCWUIQKDQ-UHFFFAOYSA-N
-rxn:5:188391:225607:225881,CCOC(=O)c1cncc(-c2ccc(C(C)N3CCCCC3)s2)c1-c1ccc(C2CCOCC2)nc1F,KLPVLDZUMIVCIR-UHFFFAOYSA-N
-rxn:5:188446:226663:223063,COC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(F)nc(C3CCNCC3)c2)c([N+](=O)[O-])c1,AAEWXPVCKHZWOU-UHFFFAOYSA-N
-rxn:5:188868:225871:225849,CC(C)OC(=O)c1ccnc(-c2cnc(N3CCCCC3)cc2F)c1-c1cccc(N2C(=O)C=CC2=O)c1,PIOCMLPDWUKHET-UHFFFAOYSA-N
-rxn:5:188930:223138:223056,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1ccc(N2CCC(O)CC2)nc1,FRNPMMVRIVVZFZ-UHFFFAOYSA-N
-rxn:5:188932:225600:225638,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)c1,QSDPNSSVZHVCSA-UHFFFAOYSA-N
-rxn:5:189207:226059:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C(=O)ON1C(=O)CCC1=O,CGOHERZXVTZSKN-UHFFFAOYSA-N
-rxn:5:189207:227286:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1C(=O)ON1C(=O)CCC1=O,RTMNLCKMRCXMAS-UHFFFAOYSA-N
-rxn:5:189208:227591:226911,CCc1cc(C)cc(CC)c1-c1cc(-c2ccc(C(F)F)cc2OC)ccc1C(=O)ON1C(=O)CCC1=O,DRAOCTKWONSFGO-UHFFFAOYSA-N
-rxn:5:189209:226740:223186,N#Cc1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCO4)c3)c2)cccc1C(F)(F)F,MZMMLELLSXDFEM-UHFFFAOYSA-N
-rxn:5:189210:225833:223378,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1ccnc(N2CCCCC2)c1F,AFXQIYXKLHTLCV-UHFFFAOYSA-N
-rxn:5:189210:225946:228517,CC#Cc1ccccc1-c1cccc(-c2cc(C(C)=O)cc(C(F)(F)F)c2)c1C(=O)ON1C(=O)CCC1=O,FNUQHXWWCOXVDY-UHFFFAOYSA-N
-rxn:5:189211:227340:226895,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(F)c(C(F)(F)F)cc2F)ccc1C,OKCJJKGJDZGVBJ-UHFFFAOYSA-N
-rxn:5:189212:226469:226916,CN1C(=O)COc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cccc(C4=CCCC4)c3)cc21,NYKNAVXGAAJPKN-UHFFFAOYSA-N
-rxn:5:189212:228794:223063,C[Si](C)(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)nc(C3CCNCC3)c2)s1,DPUIVEXSMOFKCP-UHFFFAOYSA-N
-rxn:5:189319:225868:225641,CC1CCCN(c2cc(-c3ccc(-c4ccc(N5CCOCC5)c(F)c4)c(C(=O)OC(C)(C)C)n3)ccn2)C1,YJWBYMMUWFMJER-UHFFFAOYSA-N
-rxn:5:189322:223105:226598,CNS(=O)(=O)c1cc(-c2cnc(-c3cc(OC(C)C)c(F)cc3F)c(C(=O)OC(C)(C)C)c2)c(F)cc1C,OEHHSMUYISZAHW-UHFFFAOYSA-N
-rxn:5:189323:226140:225871,COc1ccc(C(C)(C)C)cc1-c1cnc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)OC(C)(C)C,MFXAGKQTQIEMDX-UHFFFAOYSA-N
-rxn:5:189334:222985:226761,CSc1ccc(-c2cc(-c3ccc(C4CCCNC4)nc3C)cnc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,ONRKLMSXZUQYDC-UHFFFAOYSA-N
-rxn:5:189448:226794:226744,CCc1cc(-c2cc(C(=O)N3CC(OC)C3)ccc2-c2cnc(N3CCSCC3)nc2)cnc1C(F)(F)F,PBNFYPPNDSAAMU-UHFFFAOYSA-N
-rxn:5:189666:225683:227315,Cc1nc(C2CCCOC2)ccc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cnc(CC(C)C)cc1F,IVGNOYAPUQFPOD-UBDGNYOHSA-N
-rxn:5:189718:228727:222980,COc1ncc(C)cc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(CN2CCNCC2)cc1,GVRGPPRDEBYZPI-UHFFFAOYSA-N
-rxn:5:189908:225394:227587,COc1cc(-c2ncc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2OCC2CCCCC2)cc(F)c1OC,CLESUVNGOLIHFD-UHFFFAOYSA-N
-rxn:5:189910:225987:227206,Cc1c(-c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2CCN2CCOCC2)ccc2c1COC2=O,HVQWOKAESBGFMJ-UHFFFAOYSA-N
-rxn:5:189952:223064:228759,COc1c(-c2ccc(C(C)=O)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,GOTXPQOUYPDXQS-UHFFFAOYSA-N
-rxn:5:190000:226154:227065,COc1cc(C(C)(C)C)ccc1-c1cc(-c2cccc(C(=O)C(C)C)c2)ccc1CC(=O)N1CCCCC1,UKJWYKCLVGGLHB-UHFFFAOYSA-N
-rxn:5:190001:228469:226836,Cc1ncc([N+](=O)[O-])cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cn(C(C)C)nc1C(F)(F)F,BLVXOMUOMJOMKI-UHFFFAOYSA-N
-rxn:5:190127:227513:225515,COc1nc(OC)c(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)c(C(=O)N3CCC(OC)CC3)c2)cc1C,SZMSIEPLVJVKCJ-UHFFFAOYSA-N
-rxn:5:190131:225593:228177,COCc1ccc(F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(F)cc(CN3CCCC3)c2)c1OC,XSMMLUBIAZMVAA-UHFFFAOYSA-N
-rxn:5:190132:227315:226135,COC1CCN(C(=O)c2ccc(-c3cnc(CC(C)C)cc3F)cc2-c2cc(C3CC3)c(C#N)cc2C)CC1,LTCRKLDDNDBCOL-UHFFFAOYSA-N
-rxn:5:190132:227935:226059,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(C(C)C)cc3C(C)C)c2)ccc1OC,WIDSXBJVXJFKJK-UHFFFAOYSA-N
-rxn:5:190194:225498:228319,COc1nccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)c1OC,XETPYJBEZLAUNR-UHFFFAOYSA-N
-rxn:5:190195:222417:226571,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cnn(CC2CCOCC2)c1,QCEMXYCLFAJQNE-UHFFFAOYSA-N
-rxn:5:190195:222960:227941,COCc1cc(C)cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(C)cc(C3CCNCC3)c2)c1,OTUZPHKSPOGFEZ-UHFFFAOYSA-N
-rxn:5:190195:225849:226395,CN(Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cncc(N3CCCCC3)c2)c1)C1CCOCC1,GLNKSPWXGAXIEB-UHFFFAOYSA-N
-rxn:5:190195:225982:227960,CN(Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccncc2C2CCC2)c1)C1CCOCC1,VTXNSWXBWBBBRK-UHFFFAOYSA-N
-rxn:5:190195:226571:223113,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,KWFVRFWTBSJCGX-UHFFFAOYSA-N
-rxn:5:190196:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,BUWQQQFQFQBJBE-UHFFFAOYSA-N
-rxn:5:190196:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1CN(C)C1CCOCC1,KOMLRHYPDKYCEQ-UHFFFAOYSA-N
-rxn:5:190196:226366:227402,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cc(F)nc(C(C)(C)C)c1)C1CCOCC1,MMFKCLQHDMJAKU-UHFFFAOYSA-N
-rxn:5:190198:226366:223188,CNc1cc(C(F)(F)F)c(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2CN(C)C2CCOCC2)cn1,PWRFEOOPUUHCLV-UHFFFAOYSA-N
-rxn:5:190299:226854:225666,COc1ccc(-c2c(F)ccc(OC)c2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2)C1=O,GAMFGEUOKUJNGW-UHFFFAOYSA-N
-rxn:5:190335:225465:227203,COc1c(-c2cccc(C3CCN(C)CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc2c(c1)OCCCO2,XLMQFEPSWMHCNW-UHFFFAOYSA-N
-rxn:5:190336:226746:223191,CCc1cnc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(S(=O)(=O)NC)c(F)c2)c1OC,CSRKZXLQJFWPDQ-UHFFFAOYSA-N
-rxn:5:190404:222993:226346,Cc1cc(OC(C)C)c(F)c(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cccc(N5CCCCC5O)c4)o3)CCS2)c1,QRVNYGBCLJCDSV-UHFFFAOYSA-N
-rxn:5:190484:226912:227412,Cc1cc(CC(C)C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c1,AQWSKROCSWUNGG-UHFFFAOYSA-N
-rxn:5:190484:227501:226645,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(N3CCOCC3)c2)S(=O)(=O)CC1,AKWQKVBEWHZKGS-UHFFFAOYSA-N
-rxn:5:190484:227906:227315,CCC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(CC(C)C)cc3F)S(=O)(=O)CC2)c1,UJVAIGSOGQAFBD-UHFFFAOYSA-N
-rxn:5:190484:228222:227409,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cc(F)n1,KUQYRNHLLUOZJW-UHFFFAOYSA-N
-rxn:5:190484:228235:227409,CC(C)c1c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)ccnc1F,LDGGOHLTPHWIAM-UHFFFAOYSA-N
-rxn:5:190740:223062:225849,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,XQCADBPUMGUIRP-UHFFFAOYSA-N
-rxn:5:190740:223064:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,DBTLCTVFLACHOW-UHFFFAOYSA-N
-rxn:5:190740:225980:225980,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,BMHTXHJFJIQVKH-UHFFFAOYSA-N
-rxn:5:190741:225833:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PTAUCDCEJVZBRJ-UHFFFAOYSA-N
-rxn:5:190741:225833:225834,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,JXZBWHRSSBGHLK-UHFFFAOYSA-N
-rxn:5:190741:225834:225655,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,YXRVPNTUOQOWSG-UHFFFAOYSA-N
-rxn:5:190741:225849:223061,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,JULNYJTVYWBPAC-UHFFFAOYSA-N
-rxn:5:190742:225784:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCOCC2)nc1F,HBFQTKZOVXOEGF-UHFFFAOYSA-N
-rxn:5:190742:225803:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1ccc(CN2CCCC2)c(F)c1,XPACNWGBROQMFY-UHFFFAOYSA-N
-rxn:5:190742:225834:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,CMTFUYQQOXYEFQ-UHFFFAOYSA-N
-rxn:5:190742:225849:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,ZTMFLMRXUBIGSX-UHFFFAOYSA-N
-rxn:5:190744:223056:225982,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,RFOBMLPHOBSMSL-UHFFFAOYSA-N
-rxn:5:190744:225834:223056,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MBNDORIOCKRFED-UHFFFAOYSA-N
-rxn:5:190744:225849:225849,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,XZTBRWLEAIIEKJ-UHFFFAOYSA-N
-rxn:5:190744:225976:223062,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,FMYATBFCAIVZHQ-UHFFFAOYSA-N
-rxn:5:190744:226661:225982,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,GMXVECKVTWOXBL-UHFFFAOYSA-N
-rxn:5:190799:226154:225871,COc1cc(C(C)(C)C)ccc1-c1c(-c2cccc(N3C(=O)C=CC3=O)c2)ccc2c1ccn2C(=O)OC(C)(C)C,BXWZMJTYNVIYDZ-UHFFFAOYSA-N
-rxn:5:190833:226847:223312,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2ccc(C3CNC3)cc2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,BIZRXYBMHMQSST-UHFFFAOYSA-N
-rxn:5:190833:227815:227069,CCC(C)c1ccccc1-c1ccc(-c2ccc(OC)cc2C(C)C)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,NKFGGKRQOSEWEQ-UHFFFAOYSA-N
-rxn:5:190833:227953:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N(C)C)cc3C)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,RTYHOJOOPZSEOU-UHFFFAOYSA-N
-rxn:5:191026:226068:227907,CCC(C)c1cncc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5c(C)cc(C(C)(C)C)cc5C)cc43)ccc2C)c1,IZEZIZCPGNKOFA-UHFFFAOYSA-N
-rxn:5:191026:226845:227898,COC(=O)C1=CN(c2ccc(C)c(-c3cncc(CC(C)C)c3)c2)c2cc(-c3cc(C(F)(F)F)cnc3OC)ccc2S1(=O)=O,AAKURLCAGOQTKR-UHFFFAOYSA-N
-rxn:5:191026:227076:227301,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(F)cc4CN(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,MWTJUXNRKLBQRK-UHFFFAOYSA-N
-rxn:5:191026:227933:227084,CCc1ccc(OC)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)nc3C)c1)C=C(C(=O)OC)S2(=O)=O,HGMUEVQDDRFHQC-UHFFFAOYSA-N
-rxn:5:191026:228515:226322,CCc1cccc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(=O)N(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,REAHJLPVVBNMOK-UHFFFAOYSA-N
-rxn:5:191026:228567:226059,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)C)cc3C(C)C)c1)C=C(C(=O)OC)S2(=O)=O,VVSZFPHJWFMFLT-UHFFFAOYSA-N
-rxn:5:191049:225980:225982,COc1cc(N2Cc3cc(-c4cc(N5CCOCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,FHEYQPVKEOOCBM-UHFFFAOYSA-N
-rxn:5:191049:227818:226062,CCC(C)c1cccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(C(C)C)cc(C(C)C)c4)cc2OC)C(=O)CO3)c1,OODZGCMAHKVKIM-UHFFFAOYSA-N
-rxn:5:192561:225833:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccnc(N2CCCCC2)c1F)N1CCC1,KQAHBNBXKRHRME-UHFFFAOYSA-N
-rxn:5:192565:225985:222981,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(NC3CCCCC3)c2)CCC1,MNKCIZAPFYLYHD-UHFFFAOYSA-N
-rxn:5:192569:225987:223065,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCCS3(=O)=O)cc2)c1)N1CCC1,YETFVNGNFQXGTO-UHFFFAOYSA-N
-rxn:5:192571:225986:225849,O=C(c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCCC2)cc1F)N1CCC1,GSTYVEITUIBXNE-UHFFFAOYSA-N
-rxn:5:193054:223173:225834,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(N2CCCCC2)ncc1F)N1CCCC1,ARCSDVOXEBDHBZ-UHFFFAOYSA-N
-rxn:5:193225:225933:225820,O=C(c1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)ccc1-c1c(C2CC2)cccc1C(F)(F)F)N1CCOCC1,FGUYBTANQQCESQ-UHFFFAOYSA-N
-rxn:5:193226:223065:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccc(N4CCNCC4)cc3F)c2)CC1,ZTFUNXUSZFQDRU-UHFFFAOYSA-N
-rxn:5:193226:225976:225980,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,WCWRETOXRJKCQS-UHFFFAOYSA-N
-rxn:5:193228:225833:227710,CS(=O)(=O)Oc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2)cc1,YBADPBWTDFSDCL-UHFFFAOYSA-N
-rxn:5:193229:223006:225976,O=C(c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,PBYUMWDVSFBYSS-UHFFFAOYSA-N
-rxn:5:193230:225834:226366,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,RNCMASBJNWOWCC-UHFFFAOYSA-N
-rxn:5:193230:225976:223061,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,FBVCIFXFDBTECR-UHFFFAOYSA-N
-rxn:5:193231:223164:226593,CC(C)Oc1ccc(F)c(-c2cc(-c3cc(F)c(F)c(NC4CC4)c3)ccc2C(=O)N2CCSCC2)c1F,QHIUBWRSZNXHSM-UHFFFAOYSA-N
-rxn:5:193382:223287:223138,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNCC4)c3)c2)cc1,XPNOODIPPFZHSC-UHFFFAOYSA-N
-rxn:5:193382:223312:225805,CC(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,XHXUSTDUQAUNTB-UHFFFAOYSA-N
-rxn:5:193382:226644:226366,O=S(=O)(c1ccc(-c2cncc(N3CCOCC3)c2)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,OGWRRVDHISJZOM-UHFFFAOYSA-N
-rxn:5:193382:226661:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1S(=O)(=O)N1CCOCC1,RIZHDXRVJNSQAI-UHFFFAOYSA-N
-rxn:5:193382:227803:223148,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccccc2C2CNCCO2)c1,SCHLAHLKBGZRKG-UHFFFAOYSA-N
-rxn:5:193382:228653:225849,O=S(=O)(c1ccc(-c2cnn3c2CCCC3)cc1-c1cnc(N2CCCCC2)cc1F)N1CCOCC1,BSZBQPJDFGXGNA-UHFFFAOYSA-N
-rxn:5:193459:227660:225683,Cc1ccc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C3CCCOC3)nc2C)c1,FNNTUDVQIGJNFU-UHFFFAOYSA-N
-rxn:5:193460:223173:226664,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(N2CCCC2)ncc1F)N1CCCCC1,UHSPVAIPLRPSOQ-UHFFFAOYSA-N
-rxn:5:193462:227587:225592,COc1cc(-c2ccc(-c3cc(F)ccc3CN3CCCC3)c(CN3CCC(=O)CC3)c2)cc(F)c1OC,MXBPMEDXZAAILC-UHFFFAOYSA-N
-rxn:5:193462:227592:225595,COc1cc(F)cc(-c2ccc(-c3ccc(F)c(CN4CCCC4)c3)c(CN3CCC(=O)CC3)c2)c1OC,JAYOHGYDOVARRP-UHFFFAOYSA-N
-rxn:5:193463:226580:226058,CC(C)c1cccc(C(C)C)c1-c1cc(-c2cc(C(=O)N(C)C)ccc2F)ccc1CN1CCC(=O)CC1,GJZPPZPEVWRUAZ-UHFFFAOYSA-N
-rxn:5:193463:227561:225592,COc1cc(F)c(-c2ccc(CN3CCC(=O)CC3)c(-c3cc(F)ccc3CN3CCCC3)c2)cc1OC,LECOYARTJGCONC-UHFFFAOYSA-N
-rxn:5:193469:227782:225938,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)nc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,ZPZGOGAMMNYXDN-CQSZACIVSA-N
-rxn:5:193506:223139:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ODWPIWMJPLBFTL-UHFFFAOYSA-N
-rxn:5:193506:223148:223288,CNS(=O)(=O)c1cccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,DQNKEBUYILUUPR-UHFFFAOYSA-N
-rxn:5:193506:223149:225639,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cccnc2N2CCC(C)CC2)c1,WMOQRPZMHZWZFW-UHFFFAOYSA-N
-rxn:5:193506:223252:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,VKLJHSYXBQPFHY-UHFFFAOYSA-N
-rxn:5:193506:223294:225805,CC(c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,WPUAQIMHWIVCHG-UHFFFAOYSA-N
-rxn:5:193506:223378:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)NCCO4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,CKURILPQFPVEBR-UHFFFAOYSA-N
-rxn:5:193506:225849:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc(S(=O)(=O)F)c2)CC1,IASQIQFIZIXTFR-UHFFFAOYSA-N
-rxn:5:193506:225872:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccc(C3CC3)nc2)CC1,GSJKHCMHUUMRLK-UHFFFAOYSA-N
-rxn:5:193506:225872:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccc(C3CC3)s2)CC1,VOQKZWZDVQUBNL-UHFFFAOYSA-N
-rxn:5:193506:225872:229016,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccsc2C2CC2)CC1,NVEPRJPVIPAQAI-UHFFFAOYSA-N
-rxn:5:193506:226645:225805,CC(c1ccc(-c2cc(-c3ccnc(N4CCOCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,IFZRHMZWYCAQSR-UHFFFAOYSA-N
-rxn:5:193506:226661:227654,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5OCCO5)nc4)c3)c2)CC1,DBZDGCJLSUXFAJ-UHFFFAOYSA-N
-rxn:5:193506:226662:225805,CC(c1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,YAHVQYRKNPRWIG-UHFFFAOYSA-N
-rxn:5:193506:226679:227875,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc3c2CCCO3)CC1,ZLVVSPMRDNUVRJ-UHFFFAOYSA-N
-rxn:5:193506:227108:227375,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ccc3F)cc2-c2ccc(N3CCCC3)nc2)CC1,NBNYQRCKGUGVIC-UHFFFAOYSA-N
-rxn:5:193506:227379:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,CUTRZYLXMYJHNZ-UHFFFAOYSA-N
-rxn:5:193506:227387:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,UAYBNZJOHFGIAK-UHFFFAOYSA-N
-rxn:5:193506:227387:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,QIVVFTDCYGWVOU-UHFFFAOYSA-N
-rxn:5:193506:227447:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc(C4CC4)c3F)cc2-c2cccnc2N2CCCC2)CC1,WPOLYMYEZZNANZ-UHFFFAOYSA-N
-rxn:5:193506:227679:226179,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2-c2cncc(C3CCCCC3)c2)CC1,UUWNLBOZKQIUFA-UHFFFAOYSA-N
-rxn:5:193506:227679:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2-c2ccnc(N3CCCC3)c2)CC1,WFBLLYSPVXLUKP-UHFFFAOYSA-N
-rxn:5:193506:227745:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,XZFRKQFCIYGBDE-UHFFFAOYSA-N
-rxn:5:193506:227799:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C(F)(F)F)c(F)c3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,RVFMJBQDBHPSKB-UHFFFAOYSA-N
-rxn:5:193506:228234:226158,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccccc2N2CCCCC2)CC1,NDOBGOQXQYTAJF-UHFFFAOYSA-N
-rxn:5:193506:228234:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,CGWAVXNFDLWNAZ-UHFFFAOYSA-N
-rxn:5:193506:228236:226158,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccccc2N2CCCCC2)CC1,QAARJWQVAMXDKJ-UHFFFAOYSA-N
-rxn:5:193506:228236:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCSCC3)nc2)CC1,KUEGWJKFGHJHHM-UHFFFAOYSA-N
-rxn:5:193506:228503:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCC4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,KGLDUYUFNFTTSL-UHFFFAOYSA-N
-rxn:5:193506:228578:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,BUJXHUGQSFCKGL-UHFFFAOYSA-N
-rxn:5:193506:228868:223146,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)s1,ZWFGZIVBKFYHLG-UHFFFAOYSA-N
-rxn:5:193506:229081:223056,CN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)s1,KYCVKVMHDYNUJA-UHFFFAOYSA-N
-rxn:5:193598:226062:223285,CC1CN(C(=O)c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccccc2NS(C)(=O)=O)CCO1,GEXAQUHTCQHZQN-UHFFFAOYSA-N
-rxn:5:193748:228151:225831,COC(=O)c1cccc(-c2ccc(-c3cnc(N4CCOCC4)c(C)c3)c(C(=O)N3CCCC(C)C3)c2)c1,HBVVAEFMBOQHHX-UHFFFAOYSA-N
-rxn:5:193751:223188:225455,CNc1cc(C(F)(F)F)c(-c2ccc(-c3cc(N4CCCCC4)ccc3C)cc2C(=O)N2CCCC(C)C2)cn1,GOYIMAWXDFJICW-UHFFFAOYSA-N
-rxn:5:193753:222960:226185,Cc1cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C4CCOCC4)cc3)c2)cc(C2CCNCC2)c1,SPEDSUZLJNBKJD-UHFFFAOYSA-N
-rxn:5:193754:226679:225985,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2cccc(N3CCCS3(=O)=O)c2)CC1,UPPLJCSNTZRKDM-UHFFFAOYSA-N
-rxn:5:193754:227710:226177,CC1CCN(C(=O)c2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccnc(C3CCCCC3)c2)CC1,UIEVXNRHYBEJLV-UHFFFAOYSA-N
-rxn:5:193866:226589:227935,CCc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(C(F)F)ncc2C(C)C)ccc1OC,VUQSUMGPEHSKIW-UHFFFAOYSA-N
-rxn:5:193866:227872:226058,CC(C)c1cccc(C(C)C)c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CCC2=O,XPRBXNNCMKFWKG-UHFFFAOYSA-N
-rxn:5:193868:226838:228348,CC1CN(C(=O)c2cc(-c3cnc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(N(C)C)nc2F)CC(C)O1,OKTSPLYWEDINFG-UHFFFAOYSA-N
-rxn:5:193868:227664:227695,COc1cc(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2C(=O)N2CC(C)OC(C)C2)cc([N+](=O)[O-])c1,QAVUWNNONMFZMP-UHFFFAOYSA-N
-rxn:5:193869:222420:223135,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1cccnc1C1CCCNC1,UJMVEVVEURGZKQ-UHFFFAOYSA-N
-rxn:5:193869:225986:223148,Cc1cc(-c2ccccc2N2CCCS2(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,MIACEHQIRQAAGV-UHFFFAOYSA-N
-rxn:5:193869:226366:228133,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(F)c(CC#N)c1,KONBDSWECMPEKD-UHFFFAOYSA-N
-rxn:5:193869:226794:228282,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C(C)(F)F,ZBLWNLZYMNBKKM-UHFFFAOYSA-N
-rxn:5:193869:226794:228476,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccnc1C(F)(F)F,UJURTAVQBOYSIX-UHFFFAOYSA-N
-rxn:5:193869:227379:226679,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,CSRDUTQXMAVZEJ-UHFFFAOYSA-N
-rxn:5:193869:227449:223146,Cc1cc(-c2ccc(C3CCOCC3)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,JHJSPKGQUCOLCX-UHFFFAOYSA-N
-rxn:5:193869:227680:226181,Cc1cc(-c2cccc3c2OC(F)(F)O3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,CGJVQPQRLVHZPB-UHFFFAOYSA-N
-rxn:5:193869:227710:223147,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CNCCO2)cc1,SUPJTLOWEMNYRA-UHFFFAOYSA-N
-rxn:5:193869:228574:225849,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)c(C#N)c1,PFMQEBKATKVWLY-UHFFFAOYSA-N
-rxn:5:193869:228744:225633,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,TWONUUOBNNHFQM-UHFFFAOYSA-N
-rxn:5:193870:223218:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccc2c(c1C)NCCO2,QRNIVLRTVLZITJ-UHFFFAOYSA-N
-rxn:5:193870:223252:226916,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3=CCCC3)c2)cc1-c1cc(F)c2c(c1)NCCO2,HCXRWAWVEMGXKP-UHFFFAOYSA-N
-rxn:5:193870:223342:226664,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCC3)ncc2F)cc1-c1ccc2c(c1)OCCN2,JGPNBYLRTOEZOC-UHFFFAOYSA-N
-rxn:5:193870:223397:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccc2c(c1)CCN2,ZXRUWUGOWINYNB-UHFFFAOYSA-N
-rxn:5:193870:225849:228575,Cc1cc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccc1C#N,DVCNBXQTJSUZQS-UHFFFAOYSA-N
-rxn:5:193870:226794:228263,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C(C)(F)F)cc2)cc1-c1cnc(N2CCSCC2)nc1,FDMTXKWIKBZPLT-UHFFFAOYSA-N
-rxn:5:193870:227788:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(-c2cc(C(F)(F)F)cnc2F)c(C)cc1S(=O)(=O)N1CCCCC1,LWCAFMNWVCHHLX-UHFFFAOYSA-N
-rxn:5:193912:223006:225440,N#CC1(c2ccc(-c3ccc(C4C(=O)N(c5ccc(-c6ccc(F)c(C7CCNCC7)c6)cc5)C(=O)CS4=O)cc3)cc2)CCCC1,PEJKXXWAQIISBL-UHFFFAOYSA-N
-rxn:5:193968:226211:227964,CC(=O)N1CCc2cc(-c3ccc(-c4cncc(C5(C)CC5)c4)c(CN4CCC5(CC4)OCCO5)c3)ccc21,CEQYBUYRYSTRQW-UHFFFAOYSA-N
-rxn:5:193972:225666:229065,Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,UAYNMRSJEBCRHU-UHFFFAOYSA-N
-rxn:5:193972:226164:228890,Cc1cc(-c2ccc(N3CCCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,NBSLJRAXYUUKLV-UHFFFAOYSA-N
-rxn:5:193972:226364:228888,Cc1cc(-c2ccc(N3CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,DAAFGJKQTADCSE-UHFFFAOYSA-N
-rxn:5:193972:226366:228723,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)c(F)c1,QHDYGSTWRCGZSN-UHFFFAOYSA-N
-rxn:5:193972:226366:228752,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)ccc1C#N,GBCBXXQYZMGYOP-UHFFFAOYSA-N
-rxn:5:193972:226395:228885,Cc1cc(-c2cncc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(F)c1,DVNYEVAPTDKHRW-UHFFFAOYSA-N
-rxn:5:193972:226794:228830,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C)c1F,HMUOUGJRKHMPMY-UHFFFAOYSA-N
-rxn:5:193972:227379:228234,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C2CC2)ccnc1F,PJWMUAUXISPCCD-UHFFFAOYSA-N
-rxn:5:193972:228524:226441,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)cc1F,SZRUMZWGZNGPLB-UHFFFAOYSA-N
-rxn:5:193972:228723:226366,Cc1cc(-c2ccc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,KDTNTFWPHTZWPL-UHFFFAOYSA-N
-rxn:5:193972:228725:226366,Cc1cc(-c2cc(F)cc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,OJUPRCMWTGZCNM-UHFFFAOYSA-N
-rxn:5:193972:228744:226364,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,BHQFQOBATRLOLL-UHFFFAOYSA-N
-rxn:5:193972:228744:226395,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,NFHVQZOGMRROSJ-UHFFFAOYSA-N
-rxn:5:193972:228752:226366,Cc1cc(-c2cc(F)ccc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,UUFANAFUSCDHJC-UHFFFAOYSA-N
-rxn:5:193972:228890:226159,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(N2CCCCC2)c1,PMULGXIRYXRFEV-UHFFFAOYSA-N
-rxn:5:193972:228978:225849,CCc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)cc1,PFHPMQNZSYNHFK-UHFFFAOYSA-N
-rxn:5:193972:229055:225849,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,IFVSIDANXURTEJ-UHFFFAOYSA-N
-rxn:5:193972:229058:225666,Cc1cc(-c2cccnc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,SKESJEOILPNYRH-UHFFFAOYSA-N
-rxn:5:193972:229065:225833,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,NYNHUUXFGVEXLY-UHFFFAOYSA-N
-rxn:5:194058:222989:223054,Cc1cc(N2CCNCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,OEJAVPBTSLOGCV-UHFFFAOYSA-M
-rxn:5:194058:223006:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCC(O)C1,DNDXEIZSNSWIMP-UHFFFAOYSA-M
-rxn:5:194058:223007:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCCCC1,XMMHEMLBWFYVQP-UHFFFAOYSA-M
-rxn:5:194058:223008:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCNCC3)ccc2F)s1)N1CCCCC1,BYPNINLAIXDPQT-UHFFFAOYSA-M
-rxn:5:194058:223054:225636,CC1CCN(c2cc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)ccn2)CC1,BZDMYKNFZDXDBZ-UHFFFAOYSA-M
-rxn:5:194058:225607:223004,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)c(F)c2)s1)N1CCCCC1,JSIIJEWZJWFTCB-UHFFFAOYSA-M
-rxn:5:194058:225607:225592,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)ccc2CN2CCCC2)s1)N1CCCCC1,QVQLDXOXLQEXHD-UHFFFAOYSA-M
-rxn:5:194058:225607:225595,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(CN3CCCC3)c2)s1)N1CCCCC1,WMKKQHBMPUMGIY-UHFFFAOYSA-M
-rxn:5:194058:225607:225639,CC1CCN(c2ncccc2-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)CC1,VISOCCHLGTVVOM-UHFFFAOYSA-M
-rxn:5:194058:225607:225654,CC1CCCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)cn2)C1,YSPFXKGZYVLFKY-UHFFFAOYSA-M
-rxn:5:194058:225607:225822,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(C(F)(F)F)c2C2CC2)s1)N1CCCCC1,BNECJTWDSJKFTM-UHFFFAOYSA-M
-rxn:5:194058:225652:223054,CC1CCCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)C1,PJMLMJZTNQNNDN-UHFFFAOYSA-M
-rxn:5:194058:225655:223054,CC1CCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)CC1,ZJDYZNVAGSSSNS-UHFFFAOYSA-M
-rxn:5:194058:225656:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cncc(N3CCCCC3C)c2)s1)N1CCCCC1,MACPRLOVEAWZLI-UHFFFAOYSA-M
-rxn:5:194058:225805:223006,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCOCC1,GJUMSVIPGPJPEB-UHFFFAOYSA-M
-rxn:5:194058:225805:223007,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCOCC1,GGXJRQFUAGBGIZ-UHFFFAOYSA-M
-rxn:5:194058:225805:225679,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCOCC1,IQXFBPVUHXDILO-UHFFFAOYSA-M
-rxn:5:194058:225870:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCCCC1,DKHFUQADKAKCPI-UHFFFAOYSA-M
-rxn:5:194733:225611:228964,COC(=O)c1ncc(-c2ccc(-c3ccc(N4CCCC4)cc3OC)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)s1,OEPAZBHAVZEWGL-UHFFFAOYSA-N
-rxn:5:194767:223006:227316,CC(C)Cc1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,LMDFRTQTZVSPLQ-UHFFFAOYSA-N
-rxn:5:194767:225803:228733,COc1cc(C)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,KLUZWOHYULGLIY-UHFFFAOYSA-N
-rxn:5:194767:226395:225849,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cnc(N4CCCCC4)cc3F)C2)c2ccccc21,AYCNPVXDGIVLGQ-UHFFFAOYSA-N
-rxn:5:194767:228703:225834,O=C1OC2(CCCN(C(=O)c3cc(-c4cnn(C5CCC5)c4)ccc3-c3cc(N4CCCCC4)ncc3F)C2)c2ccccc21,QPNMPXWWXGFDTE-UHFFFAOYSA-N
-rxn:5:194767:228703:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cnn(C5CCC5)c4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,FZAWHUKQEKAIBP-UHFFFAOYSA-N
-rxn:5:194786:226059:225871,CC(C)c1ccc(-c2ccc(-c3cc4c(n3-c3ccc(-c5cccc(N6C(=O)C=CC6=O)c5)cc3)CC(C)(C)CC4=O)cc2)c(C(C)C)c1,POYKMNZITMHBNP-UHFFFAOYSA-N
-rxn:5:194792:226920:225486,Cc1ccc(C(C)(C)C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(F)c(-c6ccccc6)c5)cc4)C(=O)C23)cc1,UGYAVPPYDHQRLT-UHFFFAOYSA-N
-rxn:5:194792:227998:228219,CC(C)c1cc(F)c(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(F)cc6C6CC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cn1,JMHSLPWGJRFORG-UHFFFAOYSA-N
-rxn:5:196198:223065:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,IULZEBYSRUUUHC-UHFFFAOYSA-N
-rxn:5:196198:225679:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,VZTNIYHNZGIEJH-UHFFFAOYSA-N
-rxn:5:196198:225834:225986,O=C1C=CC(=O)N1c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,YZJJHGNQHWWRLZ-UHFFFAOYSA-N
-rxn:5:196408:225576:225986,N#Cc1cc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2C2=NOCCO2)ccc1N1CCCC1,UQXAEZZEFDPKRG-UHFFFAOYSA-N
-rxn:5:196408:225925:225633,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1=NOCCO1,IOLRFZWHVBDNLB-UHFFFAOYSA-N
-rxn:5:196408:225986:225462,CC1CCN(c2cccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,AILXOYHHHXFNHX-UHFFFAOYSA-N
-rxn:5:196408:225986:225654,CC1CCCN(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)C1,YEHCNDMZUMOSTM-UHFFFAOYSA-N
-rxn:5:196618:225613:225986,O=C1CCCN1c1cc(-c2ccnc(OC3CCCCC3)c2)ccc1-c1ccccc1N1CCCS1(=O)=O,WYQLPSXCLFVDLT-UHFFFAOYSA-N
-rxn:5:196618:225985:225633,O=C1CCCN1c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccc(N2CCCCCC2)nc1,UFAHYFBKYVIAPS-UHFFFAOYSA-N
-rxn:5:196619:225498:225985,O=C1CCCN1c1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,GAQPPGDPMNWGNP-UHFFFAOYSA-N
-rxn:5:196619:225802:225986,O=C1CCCN1c1ccc(-c2ccc(OC3CCCC3)nc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,PMVNNYBPTBUNDU-UHFFFAOYSA-N
-rxn:5:196619:225834:225986,O=C1CCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,ATYJNWMDUCNTAJ-UHFFFAOYSA-N
-rxn:5:196620:225849:225931,Cc1cc(-c2ccc(N3CCCC3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,STDCHFNHPXGGLG-UHFFFAOYSA-N
-rxn:5:196621:225834:225985,O=C1CCCN1c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cc(N3CCCCC3)ncc2F)c1,PZVGQXFCKSQGJF-UHFFFAOYSA-N
-rxn:5:196621:225849:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCC2=O)cc1-c1cnc(N2CCCCC2)cc1F,GUMBFQXCZFJIMO-UHFFFAOYSA-N
-rxn:5:196621:225849:225985,O=C1CCCN1c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cnc(N3CCCCC3)cc2F)c1,JEPGMOVWVFUYJL-UHFFFAOYSA-N
-rxn:5:196621:225849:225986,O=C1CCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2cnc(N3CCCCC3)cc2F)c1,XCNNYNGARQBGBZ-UHFFFAOYSA-N
-rxn:5:196622:225985:225655,CC1CCN(c2cncc(-c3c(-c4cccc(N5CCCS5(=O)=O)c4)cccc3N3CCCC3=O)c2)CC1,VSOZEGYDKFRKIF-UHFFFAOYSA-N
-rxn:5:196622:225986:225849,O=C1CCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,KLUVCCMBDGBUHS-UHFFFAOYSA-N
-rxn:5:196623:225808:225986,O=C1CCCN1c1cc(-c2cc(OC3CCCC3)ncc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,PUUJFFBGAOBTHY-UHFFFAOYSA-N
-rxn:5:196623:225834:225985,O=C1CCCN1c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2cc(N3CCCCC3)ncc2F)c1,VWJWQVPVPDMUTQ-UHFFFAOYSA-N
-rxn:5:196789:226664:223061,O=C1COCCN1c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1cc(C2CCNCC2)ncc1F,GAVKFKFIMAFVBM-UHFFFAOYSA-N
-rxn:5:196790:225849:225986,O=C1COCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cnc(N2CCCCC2)cc1F,JZXDTMDGZUGAOG-UHFFFAOYSA-N
-rxn:5:196793:225833:225986,O=C1COCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,NIGVHIFHOGQZON-UHFFFAOYSA-N
-rxn:5:196858:222957:222987,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)c1,ZLVDKSBKVNBZMM-UHFFFAOYSA-N
-rxn:5:196858:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1ccnc(C2CCNCC2)c1,WEDFHCNUCMNHNF-UHFFFAOYSA-N
-rxn:5:196917:225833:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,HIIYNIFTTWBSBA-UHFFFAOYSA-N
-rxn:5:196917:225926:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,GFFOMLPFKIZISP-UHFFFAOYSA-N
-rxn:5:196917:225985:226181,CC1(C)COC(c2cc(-c3ccc(C4=CCCCC4)nc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AUMHAHOKHQTTKW-UHFFFAOYSA-N
-rxn:5:196917:225986:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,IAVWOGWSTSSMNU-UHFFFAOYSA-N
-rxn:5:196917:225986:226395,CC1(C)COC(c2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,GWOUVLUWVDAKHV-UHFFFAOYSA-N
-rxn:5:196917:226181:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(C3=CCCCC3)nc2)=N1,BFRZAQQGCBDPOT-UHFFFAOYSA-N
-rxn:5:196917:226679:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cnc(N3CCCC3)cc2F)=N1,OACVKLDPVINEEX-UHFFFAOYSA-N
-rxn:5:196918:225986:226679,O=C1CCCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCC2)cc1F,FFXZJUVHJXJBDI-UHFFFAOYSA-N
-rxn:5:196919:225591:225985,CC1(C)COC(c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,OMWVAUKJJKNVKS-UHFFFAOYSA-N
-rxn:5:196919:225652:225986,CC1CCCN(c2cncc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)C1,AOLTYYRZCPYIIY-UHFFFAOYSA-N
-rxn:5:196919:225655:225986,CC1CCN(c2cncc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,QIFVHYRUXFSSQF-UHFFFAOYSA-N
-rxn:5:196919:225656:225986,CC1CCCCN1c1cncc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,LLMOYZOKDGUNDJ-UHFFFAOYSA-N
-rxn:5:196919:225985:226181,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(C3=CCCCC3)nc2)=N1,MFGGWYABSGAGJQ-UHFFFAOYSA-N
-rxn:5:196919:225986:225833,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(N3CCCCC3)c2F)=N1,FLNNXQHMZAKUIZ-UHFFFAOYSA-N
-rxn:5:196919:225987:225833,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2ccnc(N3CCCCC3)c2F)=N1,APZWTXYWADSVBM-UHFFFAOYSA-N
-rxn:5:196919:226181:225985,CC1(C)COC(c2ccc(-c3ccc(C4=CCCCC4)nc3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JWLBBHGVXVSSBA-UHFFFAOYSA-N
-rxn:5:196919:226366:225986,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,SHWAIWAZUQVWQW-UHFFFAOYSA-N
-rxn:5:196919:226395:225986,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,AKRVKSMLKPGMTL-UHFFFAOYSA-N
-rxn:5:196919:226658:225926,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,YXJBVKPCNNMWDL-UHFFFAOYSA-N
-rxn:5:196919:226679:225986,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,JRCKIWZLLBRTQD-UHFFFAOYSA-N
-rxn:5:196922:225655:226734,CC1CCN(c2cncc(-c3cc(-c4cccc(S(=O)(=O)N(C)C)c4)cc(N4CCCCC4=O)c3)c2)CC1,LJVFOKGXRPULFY-UHFFFAOYSA-N
-rxn:5:196922:225834:225926,O=C1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(-c2cc(N3CCCCC3)ncc2F)c1,FRSCVFXNDNPKRX-UHFFFAOYSA-N
-rxn:5:196922:226441:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,DCOVYEAFWFYUMY-UHFFFAOYSA-N
-rxn:5:196923:225834:225986,O=C1CCCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,PMGOTXOWPDFOTC-UHFFFAOYSA-N
-rxn:5:196923:225986:225849,O=C1CCCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2cnc(N3CCCCC3)cc2F)c1,LEXTYISCPOQYDX-UHFFFAOYSA-N
-rxn:5:196923:225986:226679,O=C1CCCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2cnc(N3CCCC3)cc2F)c1,MOGCLEDLCIBOIY-UHFFFAOYSA-N
-rxn:5:196923:226847:225636,CSc1ncc(C(F)(F)F)cc1-c1ccc(N2CCCCC2=O)cc1-c1ccnc(N2CCC(C)CC2)c1,REYCSLJEAYGMJE-UHFFFAOYSA-N
-rxn:5:196969:222957:225683,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,OSUQBMHNPOOTSA-UHFFFAOYSA-N
-rxn:5:196969:225601:225987,N#CC1(c2ccc(-c3cnc(C4CCCCC4)cc3-c3ccc(N4CCCS4(=O)=O)cc3)c(F)c2)CCC1,HHGZOKQNRKDNRC-UHFFFAOYSA-N
-rxn:5:196969:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCCOC2)cc1,CFBFGEYNWKIKSE-UHFFFAOYSA-N
-rxn:5:196969:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccnn1C1CCCCC1,VSPHSACAGKGXLA-UHFFFAOYSA-N
-rxn:5:196970:225515:225926,CC1(C)COc2cccc(-c3c(C4CCCCC4)ccnc3-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,WTKMPNUITZXBQF-UHFFFAOYSA-N
-rxn:5:196970:226686:225884,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2COCCO2)c(F)c1,FCKRTVGQYUEFAT-UHFFFAOYSA-N
-rxn:5:196971:226643:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCOCC3)nc2)ncc1C1CCCCC1,QJRFFYXOIOFPCT-UHFFFAOYSA-N
-rxn:5:196977:225634:225931,Cc1cc(-c2cc(N3CCCCC3)ccc2-c2cnc(N3CCCCC3)c(C)c2)cc(S(=O)(=O)N(C)C)c1,QNCGOMFHHVERRK-UHFFFAOYSA-N
-rxn:5:196978:225833:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2N2CCCCC2)c1,FUTGFQXHNQPWAP-UHFFFAOYSA-N
-rxn:5:196978:225834:225987,O=S1(=O)CCCN1c1ccc(-c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2N2CCCCC2)cc1,WSUAODNREHJYCK-UHFFFAOYSA-N
-rxn:5:196979:223018:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(N2CCCCC2)c1,AENNPYMCUDVVEM-UHFFFAOYSA-N
-rxn:5:197169:225833:225926,N#CC1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,RWSKWVODDPSHQT-UHFFFAOYSA-N
-rxn:5:197526:223065:226366,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(N3CCNCC3)cc1F)c2-c1ccnc(N2CCCCC2)c1,APJWOFYFYHEFJR-UHFFFAOYSA-N
-rxn:5:197876:225601:226201,CC(C)n1cc2cc(-c3cc4c(cc3-c3ccc(C5(C#N)CCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2n1,FZIVAOCAWVWLOJ-UHFFFAOYSA-N
-rxn:5:197876:225880:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CCOCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZKJHQPWVRRKPTE-UHFFFAOYSA-N
-rxn:5:197876:226058:227909,CCC(C)c1cc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,KZVLWMRSCJULHA-UHFFFAOYSA-N
-rxn:5:197876:226926:227065,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(C(=O)C(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,OJQJXOZTVLLWGB-UHFFFAOYSA-N
-rxn:5:197876:226959:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,WEOSFYQRUWIYEC-UHFFFAOYSA-N
-rxn:5:197876:227959:226414,Cc1cnc(C2CC2)c(-c2cc3c(cc2-c2ccc(C4=NCCCO4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CCKUMLZZOAEZGK-UHFFFAOYSA-N
-rxn:5:225633:193870:228512,CC#Cc1cccc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,AOIXJDATUSQGRY-UHFFFAOYSA-N
-rxn:5:225656:196919:225986,CC1CCCCN1c1cncc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,LLMOYZOKDGUNDJ-UHFFFAOYSA-N
-rxn:5:225834:193506:228531,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2cccc3c2CCO3)CC1,YTZLMQWHAXPEDV-UHFFFAOYSA-N
-rxn:5:225849:179629:225987,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,UHEVGTQUJSPTIB-UHFFFAOYSA-N
-rxn:5:225849:196198:225926,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,SRBLLRHZPLJMIQ-UHFFFAOYSA-N
-rxn:5:225986:196918:226679,O=C1CCCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCC2)cc1F,FFXZJUVHJXJBDI-UHFFFAOYSA-N
-rxn:5:226441:193506:227954,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2ccc(C3CCC3)nc2)CC1,DDLMORYIXQADGT-UHFFFAOYSA-N
-rxn:5:226441:193870:227861,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCCC3)cc1-c1ccc(N2CCCC2)cc1F,VAHMTCBVNZXOBT-UHFFFAOYSA-N
-rxn:5:226663:193506:227680,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2-c2cccc3c2OC(F)(F)O3)CC1,KSNWCZXXYNCCCG-UHFFFAOYSA-N
-rxn:5:226663:193869:228498,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cn(C)nc1C(F)(F)F,AHARVCGKFOHXFS-UHFFFAOYSA-N
-rxn:5:226664:196198:225926,O=C1C=CC(=O)N1c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,JRWBOMUEACZQRU-UHFFFAOYSA-N
-rxn:5:226794:193506:226431,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2ccc(N3CCCC3)c(F)c2)CC1,BBQPPBBNVHXPNB-UHFFFAOYSA-N
-rxn:5:227387:193506:227679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc3c(c2)OC(F)(F)O3)CC1,KGFJHNCADQKPKQ-UHFFFAOYSA-N
-rxn:5:227710:193752:225849,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cnc(N4CCCCC4)cc3F)c2)C1,BCSLDUJCNQOVLA-UHFFFAOYSA-N
-rxn:5:227858:178295:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cccc3c2CN(C)C3)CCC(=O)CC1,BRNZYFXAOCOJAA-UHFFFAOYSA-N
-rxn:5:227898:178295:227508,COC(=O)c1cc(-c2ccc(-c3cncc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,CPBBDMDRYHXSJD-UHFFFAOYSA-N
-rxn:5:227906:178295:226926,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,MMTYHPCBGLHQJW-UHFFFAOYSA-N
-rxn:5:227908:178295:227023,COC(=O)C1(c2cc(-c3ccc(C(C)N(C)C)cc3)ccc2-c2cccnc2CC(C)C)CCC(=O)CC1,AZAYCTGIMMHMSX-UHFFFAOYSA-N
-rxn:5:227912:178295:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,KTTPDUSTYMEFEJ-UHFFFAOYSA-N
-rxn:5:227912:178295:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,WMBNHMJYDHVIJF-UHFFFAOYSA-N
-rxn:5:227912:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(C)OC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,VUZRLIGQRGZKET-UHFFFAOYSA-N
-rxn:5:227917:178295:227106,CCc1ccc(OC)c(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PHWPRKFZHBUXCW-UHFFFAOYSA-N
-rxn:5:227919:178295:227568,CCOc1cc(C)cc(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RLJXECJMRVTHNA-UHFFFAOYSA-N
-rxn:5:227921:178295:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2cccc(C(C)OC)c2)CCC(=O)CC1,IBCYIMJHVTVTRZ-UHFFFAOYSA-N
-rxn:5:227933:178295:226085,CCc1ccc(OC)cc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,CXZNRTDPKXAQIJ-UHFFFAOYSA-N
-rxn:5:227936:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cccc(SC4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,QLLZPGGEFDSBPJ-UHFFFAOYSA-N
-rxn:5:227937:178295:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2cccc(SC(C)C)c2)CCC(=O)CC1,WIRWOKKIFPLDIF-UHFFFAOYSA-N
-rxn:5:227939:178295:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,WQJLHEPCZMQGMI-UHFFFAOYSA-N
-rxn:5:227940:178295:226582,CCc1cc(SC)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BNPMVVYMVYEDEH-UHFFFAOYSA-N
-rxn:5:227940:178295:227052,CCc1cc(SC)cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FGRKRBSJKCZAID-UHFFFAOYSA-N
-rxn:5:227942:178295:226916,CCc1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,DHGAJEQOUGUVKJ-UHFFFAOYSA-N
-rxn:5:227957:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(C(C)C)nc2C)CCC(=O)CC1,YQZSHCRMAOUDPQ-UHFFFAOYSA-N
-rxn:5:227978:178295:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2cc(C(C)C)ccc2F)CCC(=O)CC1,PHPPOBXTANLZJT-UHFFFAOYSA-N
-rxn:5:228744:193869:225633,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,TWONUUOBNNHFQM-UHFFFAOYSA-N
-rxn:5:228747:193972:226366,Cc1cc(-c2c(F)cccc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,HEQUEZOJLBIUCL-UHFFFAOYSA-N
-rxn:5:228978:193972:225849,CCc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)cc1,PFHPMQNZSYNHFK-UHFFFAOYSA-N
-rxn:5:229058:193972:225666,Cc1cc(-c2cccnc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,SKESJEOILPNYRH-UHFFFAOYSA-N
-rxn:5:229065:193972:225666,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,ZGNHCJQESHBOON-UHFFFAOYSA-N
-rxn:5:229065:193972:225679,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)cc1F,WNZNLEKWEJBSAE-UHFFFAOYSA-N
-rxn:5:229065:193972:225833,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,NYNHUUXFGVEXLY-UHFFFAOYSA-N
-rxn:5:229065:193972:225834,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)ncc1F,KCEZSMCIVNVLMY-UHFFFAOYSA-N
-rxn:4:173302:223971,CCOC(=O)Cc1ccc(OC(F)F)c(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)c1,JEXDWQVGYVFQFJ-UHFFFAOYSA-N
-rxn:4:173450:222629,CC(C)(C)OC(=O)c1ccc(OCC(F)(F)F)c(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1,PEXFEQSQCLOBBH-UHFFFAOYSA-N
-rxn:4:173483:222389,Cc1ccc(S(=O)(=O)OCCOc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1,IEJZITDAZRMDGF-UHFFFAOYSA-N
-rxn:4:173510:223607,CC(C)(C)OC(=O)c1cc(OCC2CC2)ccc1-c1cc(-c2cccc(C(F)(F)F)n2)nc(C(F)(F)F)c1,KTVMTSRDEFDGNW-UHFFFAOYSA-N
-rxn:4:173552:224395,CC(C)(C)OC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c1,HEGVXCQQWQVDTO-UHFFFAOYSA-N
-rxn:4:173596:222924,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C)c(S(=O)(=O)NC(C)C)c1,GHJLUSJHVNQRAZ-UHFFFAOYSA-N
-rxn:4:173596:225565,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(OCC2CCCO2)c1,ZDWMLUOXROYQSN-UHFFFAOYSA-N
-rxn:4:173657:225080,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)CCC(C(=O)OC)O3)C2=O,UWYIVBFGBXVSDT-UHFFFAOYSA-N
-rxn:4:173658:223923,COc1cc(C(=O)Oc2ccc3ccccc3c2-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)cc(OC)c1OC,SLUXQLQHEOBXQU-UHFFFAOYSA-N
-rxn:4:173712:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCC(F)(F)F)c(OC(F)(F)F)c3)ccc2F)CC1,SNJKQDUQRDLEEV-UHFFFAOYSA-N
-rxn:4:173723:224352,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)cc1,FSHGJCVVSUJMPV-UHFFFAOYSA-N
-rxn:4:173772:223541,COC(=O)COc1ccc(C(F)(F)F)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,HMGPREUHIVBJPF-UHFFFAOYSA-N
-rxn:4:173802:225975,O=S(=O)(OC(c1ccc(-c2ccnc(N3CCOCC3)c2Cl)cc1)C(F)(F)F)C(F)(F)F,AIXYRYPOAXQUQJ-UHFFFAOYSA-N
-rxn:4:173809:226107,Cc1cc(OCC2CC2)cc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)c1,SVOPAOTYLVWHFD-UHFFFAOYSA-N
-rxn:4:173904:222539,COC(=O)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c(COC(C)=O)c1,OHVSRHDESDXWPU-UHFFFAOYSA-N
-rxn:4:173914:222545,COC(=O)CC(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(OC)c1,CDEZTUOSHUSWGX-UHFFFAOYSA-N
-rxn:4:173929:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(OCC3CC3)c(OC(F)(F)F)c2)ccc1Cl,ULGIYFVJUYXLFH-UHFFFAOYSA-N
-rxn:4:173974:223839,CCCOc1cc(C(=O)OC)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1,RHKHKDLFPJHDSP-UHFFFAOYSA-N
-rxn:4:174009:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C(C)=O)C(=O)OC)cc2)c(C(F)(F)F)c1,JHDKTOKVJKWJFV-UHFFFAOYSA-N
-rxn:4:174149:224008,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,NOUHQVFPGXEPFD-UHFFFAOYSA-N
-rxn:4:174176:222522,COC(=O)c1ccc(CS(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(O)CC4)c3)cc2)o1,XGLIEPGTPQCLDM-UHFFFAOYSA-N
-rxn:4:174406:225191,COC(=O)C1(c2ccc(-c3cnc(OC4CCCCC4)cc3F)cc2)CC(OC)(OC)C1,VGMCUVZXQLCRPH-UHFFFAOYSA-N
-rxn:4:174407:225061,COC(=O)C1(c2cccc(-c3ccc(N4CCC(C)CC4)cc3F)c2)CC(OC)(OC)C1,ZPKPYSWZVZJCQT-UHFFFAOYSA-N
-rxn:4:174407:225607,COC(=O)C1(c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2)CC(OC)(OC)C1,VQNQCDDFZOEVIL-UHFFFAOYSA-N
-rxn:4:174494:223542,COc1ccc(C(=O)Oc2cc(C(C)C)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2C)cc1,JFUFPDKYQGDCIW-UHFFFAOYSA-N
-rxn:4:174516:222545,CC(C)[Si](Oc1ccccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,UOPFYCGQZDUWBE-UHFFFAOYSA-N
-rxn:4:174526:223036,Cc1c(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,XHQMIGUBFLJMRB-UHFFFAOYSA-N
-rxn:4:174593:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,IORDJQRDMOYNOL-MEMLXQNLSA-N
-rxn:4:174649:223623,COc1ccc(-c2ccccc2COc2ccc(C(C)(C)C)cc2C)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,HAXJIWLFIMGEFW-UHFFFAOYSA-N
-rxn:4:174655:223177,CCCCCOc1cc2c(cc1-c1ccc(CNS(C)(=O)=O)cc1)C(C)(C)CCC2(C)C,NHASRRDMUBPTPI-UHFFFAOYSA-N
-rxn:4:174677:223598,C#Cc1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1OCC(F)F,WKJYIIMFVIBHFO-UHFFFAOYSA-N
-rxn:4:174739:223911,CCOC(=O)C1(c2ccc(-c3ccc(Cl)c(OCC(F)(F)C(F)F)c3)cc2)CCOCC1,OVMUIYHYUXIKGS-UHFFFAOYSA-N
-rxn:4:175174:222522,COC(=O)C1(Oc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(O)CC4)c3)cc2)CC1,XYMHXBJYKRPPEF-UHFFFAOYSA-N
-rxn:4:175270:223974,CCOC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)cc1S(C)(=O)=O,DPBJCUURQQRMFY-UHFFFAOYSA-N
-rxn:4:175321:223728,CCCCCC1CCC(c2ccc(-c3cc(OC)c(OC)cc3CC(C)=O)c(F)c2)CC1,VYMWYTFYSHTGNL-UHFFFAOYSA-N
-rxn:4:175341:222545,COC(=O)C(c1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)ccc1F)C1CC1,IJRJFDVCINCAQS-UHFFFAOYSA-N
-rxn:4:175349:223748,CC(C)COc1ccc(C(F)(F)F)cc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,COUIEEUCRCCDTR-UHFFFAOYSA-N
-rxn:4:175361:222614,CC(C)OCc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c(C(F)(F)F)c1,WQZRJWOFRDLAEH-UHFFFAOYSA-N
-rxn:4:175433:222545,COC(=O)c1cc(C(=O)C(C)C)cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,HPOOEIHLSDNFMJ-UHFFFAOYSA-N
-rxn:4:175807:223866,CC(C)(C)C(=O)CCc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1F,KGMGUARKJWAWSQ-UHFFFAOYSA-N
-rxn:4:175989:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OCC2CCCCC2)cc1C(F)F,ZWOZBERWJQIJQA-UHFFFAOYSA-N
-rxn:4:176049:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(C)(F)F)c(OCC2CCOCC2)c1,PJXWZFRITUUGIF-UHFFFAOYSA-N
-rxn:4:176295:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccccc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,RLPZJKXRYGYPEP-UHFFFAOYSA-N
-rxn:4:177048:223541,COC(=O)C1(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CO1,MSATVSPDYKABES-UHFFFAOYSA-N
-rxn:4:177333:223542,COC(=O)c1cc(C)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c1OC,JEVZJBLNUZVSMG-UHFFFAOYSA-N
-rxn:4:177709:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)C)c1,SBQIHKURVFUORL-UHFFFAOYSA-N
-rxn:4:177769:223698,COC(=O)c1cc(S(C)(=O)=O)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1C,CQVALAWDPYKTIY-UHFFFAOYSA-N
-rxn:4:177835:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC)CCC4)cc3)c(F)c2)CC1,BRVWRSIPKUFALP-HZCBDIJESA-N
-rxn:4:178124:222539,COc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c(F)c1OC1CCCC1,OIVAXTFPCCFBGQ-UHFFFAOYSA-N
-rxn:4:178248:222466,COC(=O)C1(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)CCOCC1,XPPWXAIVLUEQHC-UHFFFAOYSA-N
-rxn:4:178295:224842,COC(=O)C1(c2cc(Cl)ccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC(=O)CC1,SYVSTXIAGQFKHL-UHFFFAOYSA-N
-rxn:4:178321:224008,Cc1ccc(OCC2COC(C)(C)O2)cc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,TZKMIVOXHVXEOT-UHFFFAOYSA-N
-rxn:4:178384:226922,Cc1cc(C2CC2)cc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DESYNVRSPRJDQQ-UHFFFAOYSA-N
-rxn:4:178384:227107,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c(C2CC2)c1,NSRCQZSJXCTJPW-UHFFFAOYSA-N
-rxn:4:179643:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CC4(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1,FSEQAHNLSVIOFD-UHFFFAOYSA-N
-rxn:4:180372:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCOCC4)c(C(F)(F)F)c3)cc2)CC1,HPIDVPREKFZBRF-UHFFFAOYSA-N
-rxn:4:180372:224350,FC(F)(F)c1cc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)ccc1C1CCOCC1,GVZCQTGPIYLATC-UHFFFAOYSA-N
-rxn:4:180432:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3ccccc3C(=O)C3(C)C=CCCC3)cc2C1,KNLJURKDDAVUIE-UHFFFAOYSA-N
-rxn:4:180696:222389,COC(=O)C1CCc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2S1,ZRLFVQORPINMCB-UHFFFAOYSA-N
-rxn:4:180792:223972,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)cc1C2=O,ZOBILHVUDYBUNT-UHFFFAOYSA-N
-rxn:4:181768:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3=CC(=O)C=CC3=O)cc2)c1,JPKDMIXVKJJKSR-UHFFFAOYSA-N
-rxn:4:182345:223568,COc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc2c1OC(=O)CC2(C)C,BOGDAPCFMBSCCI-UHFFFAOYSA-N
-rxn:4:182372:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(c2)C(=O)[C@]2(CC[C@H](OC)CC2)C3)cc1C(C)(C)C,KABVNQGVMYJTFH-SLEJYSNSSA-N
-rxn:4:182372:224355,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc1C2=O,QPJDMEZLJLDCLN-PGWJBFNOSA-N
-rxn:4:182374:223898,CC(=O)c1cc2c(cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1)C(C)(C)CCC2(C)C,RPNPCKDPQKWUTG-UHFFFAOYSA-N
-rxn:4:182374:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(cc3C(C)=O)C(C)(C)CCC4(C)C)c(F)c2)CC1,UCKKWQFBIQHJAX-HZCBDIJESA-N
-rxn:4:182416:224001,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1,NWIZLHYUKXDECE-UHFFFAOYSA-N
-rxn:4:183254:223480,Cc1cc(-c2ccc3c(c2)C(=O)CC2(CCC2)S3(=O)=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MOQSPPJUCRBAAY-UHFFFAOYSA-N
-rxn:4:183270:223788,Cc1cc2c(cc1-c1ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc1)C(C)(C)CCC2(C)C,BIIPIDPLWDQZBR-UHFFFAOYSA-N
-rxn:4:183523:223541,CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ZSDXAZRRSIGBSO-UHFFFAOYSA-N
-rxn:4:183531:225011,CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2cccc(C3(C#N)CCCC3)c2F)c1,MDROPWXESMNVBV-UHFFFAOYSA-N
-rxn:4:183610:222795,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)N2CCOCC2)cc1)N1CCC1,XZZQPKHDBUYSNG-UHFFFAOYSA-N
-rxn:4:183610:222929,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(Cl)c(N2CCC(O)CC2)c1)N1CCC1,DTSHZOYTCKPUIW-UHFFFAOYSA-N
-rxn:4:183668:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(F)c1,UPZCEMKPZIGGOB-UHFFFAOYSA-N
-rxn:4:183729:223180,CONC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cc1F,ZIHFPLXDBYETMW-UHFFFAOYSA-N
-rxn:4:183729:224729,COc1nccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1C(=O)OC(C)(C)C,PUYKVCUKWDPPBZ-UHFFFAOYSA-N
-rxn:4:183752:225761,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc(CC(C)C)cc3[N+](=O)[O-])c2)SC1=S,NGFNWHDRPWTEOE-UHFFFAOYSA-N
-rxn:4:183769:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MHAFHDAMFXULMF-UHFFFAOYSA-N
-rxn:4:183772:227225,CC(C)CSc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)cn1,ASMDTCJHNJJQAT-UHFFFAOYSA-N
-rxn:4:183777:224566,CCCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)c1,YYGXOWLFHIAPCD-UHFFFAOYSA-N
-rxn:4:183876:226655,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2cc(Cl)cnc2N2CCCC2)C1,KWPKKGODEVMTRJ-UHFFFAOYSA-N
-rxn:4:183904:223842,COCc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1Sc1ccccc1CN(C)C,HKIPONXBIPQVAF-UHFFFAOYSA-N
-rxn:4:183942:222890,COc1ccc(-c2cc(OC)nc(C3CCCNC3)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,GTFYPISCPJWTJS-UHFFFAOYSA-N
-rxn:4:184001:223509,COC(=O)C1(c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,ZOXJMAFNWCIKQB-UHFFFAOYSA-N
-rxn:4:184039:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccc(C(=O)N2CCC(COCc3ccc(Cl)cc3)CC2)c1,YTRWIYTZKIDYJI-UHFFFAOYSA-N
-rxn:4:184068:223915,Cc1cc(-c2ccccc2CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cnc1N(C)C(=O)c1ccccc1,XVKLGXZZJFDISY-UHFFFAOYSA-N
-rxn:4:184069:224766,COc1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,RVWYALKFIQTJMF-UHFFFAOYSA-N
-rxn:4:184070:228198,COC(=O)C1(c2ccc(-c3cnc(C(C)C)nc3C)cc2C)CCN(C(=O)OC(C)(C)C)C1,MGFRCBFCBDTSNL-UHFFFAOYSA-N
-rxn:4:184070:228589,COC(=O)C1(c2ccc(-c3ccc(C(C)C)nc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,VERRRKMIJMJHGC-UHFFFAOYSA-N
-rxn:4:184072:224735,CC(C)COc1cc(-c2ccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1C(F)(F)F,BYQRKTNTWSUDOV-UHFFFAOYSA-N
-rxn:4:184072:225346,COc1ccc(-c2ccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1S(=O)(=O)N(C)C,AXVVDIXOEQPBMO-UHFFFAOYSA-N
-rxn:4:184091:222619,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1ccc(CNC(=O)C2CCCCC2)cc1,IGGZHVRNNIBONM-UHFFFAOYSA-N
-rxn:4:184096:224037,CC1(C)CCC(N(Cc2ccc(-c3ccccc3-c3ccc(C(C)(C)C)cc3)cc2)C(=O)OC(C)(C)C)CC1,ZJYJNXHEFGGSPX-UHFFFAOYSA-N
-rxn:4:184096:226463,CC(=O)n1ncc2c(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cccc21,FASGHZURFGEKNH-UHFFFAOYSA-N
-rxn:4:184100:227065,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cccc(C(=O)C(C)C)c2)c1,SFMAOSZZOONKCW-UHFFFAOYSA-N
-rxn:4:184126:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(C(F)(F)F)ccc2OCCCN2C(=O)c3ccccc3C2=O)CC1,UZXUKHHSGHNCBD-UHFFFAOYSA-N
-rxn:4:184167:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)cc1,WTRSMALPWMSWRQ-UHFFFAOYSA-N
-rxn:4:184232:223279,O=C(COC(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,GONARDCIWJCRGB-UHFFFAOYSA-N
-rxn:4:184256:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(F)cc(OCCCC#N)c3)c2Cl)CC1,VPSWSLDQYJLUEQ-UHFFFAOYSA-N
-rxn:4:184267:223743,Cc1ccc(-c2ccc(OCCC(F)(F)F)cc2C#N)cc1OCCCN1CCC(C)CC1,VJXVPAJEIPJMOK-UHFFFAOYSA-N
-rxn:4:184272:222601,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(OC(C(F)(F)F)C(F)(F)F)c3C#N)cccc2s1,QRGJIOYWAATDAZ-UHFFFAOYSA-N
-rxn:4:184293:223504,COCCOc1cc(C#N)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,XHPVGUCEEULJQF-UHFFFAOYSA-N
-rxn:4:184379:223979,COCCOc1ncc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1C(F)(F)F,RLPJZUGQRSTAIK-UHFFFAOYSA-N
-rxn:4:184391:224352,COC(=O)Cc1cc(C(F)F)cc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)c1C#N,IHXRPMKXCQCYDP-UHFFFAOYSA-N
-rxn:4:184469:224759,COC(=O)Cc1c(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ccc(C#N)c1C(F)(F)F,ICRZHLGIRMISGF-UHFFFAOYSA-N
-rxn:4:184555:224017,CCOC(=O)c1cc(OC)cc(C#N)c1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,IEDRBFQDJLHVBI-UHFFFAOYSA-N
-rxn:4:184682:224244,COC(=O)c1cc(C(=O)N(C)OC)cc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c1,LCJWNHVMNNUKJZ-UHFFFAOYSA-N
-rxn:4:184695:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(OC(F)(F)F)cc(C(=O)ON2C(=O)CCC2=O)c1,UZNSIFCPPMNYPY-UHFFFAOYSA-N
-rxn:4:184695:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(OC(F)(F)F)cc(C(=O)ON4C(=O)CCC4=O)c3)ccc2C1,ZMFPEUSAHISRTA-UHFFFAOYSA-N
-rxn:4:184774:224458,CC1CCN(C(C)c2ccc(-c3cccc(CCC(=O)ON4C(=O)CCC4=O)c3)cc2)CC1,OOGUAUIQSIPODR-UHFFFAOYSA-N
-rxn:4:184910:224735,CC(C)COc1cc(-c2ccc(OCC3CN(C(=O)C4CC4)C3)cc2)ccc1C(F)(F)F,IJTPSRHYNCTMGM-UHFFFAOYSA-N
-rxn:4:184929:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(OCC(F)(F)F)c(C(=O)N3CCOCC3)c2)CC1,CLQWQOGZRADYRH-UHFFFAOYSA-N
-rxn:4:184969:226088,CCN(CC)Cc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OC(C)C)c2)cc1,SHCWUHSGBGTDCP-UHFFFAOYSA-N
-rxn:4:185086:222598,Cc1cc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)ccc1OCCCN1CCOCC1,WDWGXLWJXPPJMZ-UHFFFAOYSA-N
-rxn:4:185104:222907,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3ccncc3NC(=O)OC(C)(C)C)c2)C1,CVEYBNMQXCDXEH-UHFFFAOYSA-N
-rxn:4:185113:222618,O=C(NCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1,BVFRFXBSWZLAGG-UHFFFAOYSA-N
-rxn:4:185144:223799,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(OCc4ccccc4)c3)cc2)CC1,UNXKONXDUBEANX-UHFFFAOYSA-N
-rxn:4:185145:223141,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)cc2)C1,NTIBCNMSCAMFKA-UHFFFAOYSA-N
-rxn:4:185147:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)n1,XSBZMYUFKJCAIZ-UHFFFAOYSA-N
-rxn:4:185147:224962,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccccc2COC2CCOCC2)C1,LPKOQEGYNSUMPN-UHFFFAOYSA-N
-rxn:4:185157:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(CN2CCCC(C(F)(F)F)C2)c(C(=O)OC)c1,IIBTUJGDDMAHLJ-UHFFFAOYSA-N
-rxn:4:185206:224270,COc1cc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,NKNKLIJECUAQNB-UHFFFAOYSA-N
-rxn:4:185230:223834,COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)c3)C2)cc1,TWPCASCEXNEMJK-UHFFFAOYSA-N
-rxn:4:185259:222468,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)c1,PZYGVUUBAHYBBH-UHFFFAOYSA-N
-rxn:4:185269:225886,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)(C(F)(F)F)C1,DUADGVRIPCMENQ-UHFFFAOYSA-N
-rxn:4:185272:224459,Cc1ccc(CN(C(=O)c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cc2)C2CCS(=O)(=O)C2)o1,WPNBHJGQXXQYFS-UHFFFAOYSA-N
-rxn:4:185278:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,YFJOTVUKABPJDI-UHFFFAOYSA-N
-rxn:4:185349:225377,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1-c1ccc(OC(F)F)c(C(F)(F)F)c1,NPTAKVUKXYEJPP-UHFFFAOYSA-N
-rxn:4:185356:224326,Cc1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCCCC1,UPNOXYHOEAHBOV-UHFFFAOYSA-N
-rxn:4:185378:225198,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3c(F)cccc3OC3CCCCO3)c2)CC1,YTARSKVZRWAAHQ-UHFFFAOYSA-N
-rxn:4:185398:223750,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)c1,KQLWXCAQXHSVFQ-UHFFFAOYSA-N
-rxn:4:185413:224420,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,QQRBSTSORWFEMV-UHFFFAOYSA-N
-rxn:4:185422:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)c(C2CC2)c1,JXPJZLRLGYWNHK-UHFFFAOYSA-N
-rxn:4:185443:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(C)C)c(N=C(c4ccccc4)c4ccccc4)c(C(C)C)c3)ccc2OC)CC1,HCZGMMULNVFARK-UHFFFAOYSA-N
-rxn:4:185467:222545,CCOC(=O)c1c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c2ccccc2n1CC1CC1,YWVZAPMKRMHWEQ-UHFFFAOYSA-N
-rxn:4:185534:226057,CCCCCCc1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1,OOBLBUVQUUJOOE-UHFFFAOYSA-N
-rxn:4:185534:226991,CCC(C)Cc1cncc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)c1,ABIFCIHOTAACCY-UHFFFAOYSA-N
-rxn:4:185739:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2Cl)CC1,RTQXMBHWMHHACX-UHFFFAOYSA-N
-rxn:4:186277:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(N)(=O)=O)c(CC(=O)OC)c3)c(F)cc2C)CC1,UWEMYUBVOARPDP-UHFFFAOYSA-N
-rxn:4:186658:224768,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(F)c(C(=O)N2CCCC2)c(F)c1,GOFXACFPQHZHDS-UHFFFAOYSA-N
-rxn:4:186660:225373,COc1cc(-c2cccc(OC)c2C(=O)ON2C(=O)CCC2=O)c(Cl)cc1OC(F)(F)F,FOCDVDJADWFPTJ-UHFFFAOYSA-N
-rxn:4:186742:223933,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)cc(C(=O)N3CCCC3)c2)cc2cc(F)ccc21,CXOCBXAKRTYFOO-UHFFFAOYSA-N
-rxn:4:186789:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C#N)c(OCC2CCOCC2)c1,ANGMXWBLMKAXRB-UHFFFAOYSA-N
-rxn:4:186806:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OC(F)F)cc1,JRFFOXOKDNAHKJ-UHFFFAOYSA-N
-rxn:4:186953:224407,COC(=O)C1CN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)c(C)c2)C1,QETBJIZQQGLXHN-UHFFFAOYSA-N
-rxn:4:187052:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCCN2CCCCC2)cc1F,FEATVNOBFSCFEK-UHFFFAOYSA-N
-rxn:4:187055:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(OCC4CCCCC4)cc([N+](=O)[O-])c3)cc2F)CC1,JTPIUHZUIHVRIJ-UHFFFAOYSA-N
-rxn:4:187082:224756,O=C(c1ccc(F)cc1-c1cc(F)c([N+](=O)[O-])c(OCC2CCCCC2)c1)N1CCOCC1,GBLOTWBRPLBEHJ-UHFFFAOYSA-N
-rxn:4:187122:222844,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(NC(=O)C2CCCC2)c1,RWYHBJXASPZKKD-UHFFFAOYSA-N
-rxn:4:187123:222624,CCOc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,ZTJGXJBACVBMPU-UHFFFAOYSA-N
-rxn:4:187211:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc(C2(F)CN(C(=O)OC(C)(C)C)C2)cc1,MCIVWKZPWMXOFW-UHFFFAOYSA-N
-rxn:4:187230:225179,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cccc(Cl)c2CN2CCOCC2)CC1,QNIYHOFYLMVWFR-UHFFFAOYSA-N
-rxn:4:187254:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(CCN4CCCC(C(F)(F)F)C4)ccc3F)c2)CC1,VUYQNDJMUXJOKI-UHFFFAOYSA-N
-rxn:4:187254:225267,CCCOc1ccc(-c2cc(CCN3CCCC(C(F)(F)F)C3)ccc2F)c(C(F)(F)F)c1,SRBURGOSVMZVOQ-UHFFFAOYSA-N
-rxn:4:187266:225385,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1,MIEMITUDGBEWDF-UHFFFAOYSA-N
-rxn:4:187295:222639,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1,ARYATPWTSHSSHM-FQEVSTJZSA-N
-rxn:4:187306:222698,Cc1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c(OCC2CCCCC2)c([N+](=O)[O-])c1,HKAVUTIOHBMCQE-UHFFFAOYSA-N
-rxn:4:187323:223039,CC1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NC(C)C)c3)cc2OC(F)(F)F)CC1,PIMKWECSTLVQPD-UHFFFAOYSA-N
-rxn:4:187352:223687,CC(C)[Si](c1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)s1)(C(C)C)C(C)C,CCHUXRAXKMAIFX-UHFFFAOYSA-N
-rxn:4:187375:225207,Cc1c(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C)C3)c2)cc(C2CC2)cc1C(F)(F)F,NLKQTRVIYVNDOZ-UHFFFAOYSA-N
-rxn:4:187383:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C3CC(=O)CN3C(=O)OC(C)(C)C)cc2)c(C)c1,JSRIHTHXAIJGJD-UHFFFAOYSA-N
-rxn:4:187388:225762,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1cc(Cl)c(F)c(OCC(C)C)c1,ZWXGNYWCCWDXDK-UHFFFAOYSA-N
-rxn:4:187437:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1,YMIWBQAYIFGBLL-UHFFFAOYSA-N
-rxn:4:187468:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)o1,HSGCWHQGCZYCCX-UHFFFAOYSA-N
-rxn:4:187495:223773,COc1cccc2cc(-c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c12,ZYAQLCSEOAFCHG-UHFFFAOYSA-N
-rxn:4:187507:225175,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3ccc(F)c(CN4CCOCC4)c3)c2)C1,PTBJGHKKESTNCQ-UHFFFAOYSA-N
-rxn:4:187537:226981,CCCCCCc1ccsc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FHSNJJRYJRSURV-UHFFFAOYSA-N
-rxn:4:187552:223139,CCOc1ccc(-c2ccc(C3CCNCC3)nc2)cc1S(=O)(=O)N1CC(C)OC(C)C1,QLKPHBOPNHTDOY-UHFFFAOYSA-N
-rxn:4:187552:226086,CCCCCOc1cccc(-c2ccc(OCC)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1,VHECNNILSXAEFT-UHFFFAOYSA-N
-rxn:4:187557:223189,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)cc1,OUPTXAKMPNNMJE-HXUWFJFHSA-N
-rxn:4:187560:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2=O)cc1,PUZNUHXBTLVNLM-UHFFFAOYSA-N
-rxn:4:187597:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,PHARHDREILTGHG-UHFFFAOYSA-N
-rxn:4:187597:227557,COc1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c(OC)c1Cl,XSSBYKCPVUAKRK-UHFFFAOYSA-N
-rxn:4:187634:222740,CC(C)c1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,WXGWURLLEARYDO-UHFFFAOYSA-N
-rxn:4:187634:224424,CCCC1CCC(c2ccc(-c3ccc(N(C(=O)C4CCCCC4)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,KEXAXVONDDXPIX-UHFFFAOYSA-N
-rxn:4:187665:223556,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c1,PJNXIICKKLFBKJ-UHFFFAOYSA-N
-rxn:4:187669:226122,COCc1ccc(C2CC2)c(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,AXWSSDNMAKVAOG-UHFFFAOYSA-N
-rxn:4:187689:224680,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)cc1F,AWMCOQYNCVBJRV-UHFFFAOYSA-N
-rxn:4:187691:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c(F)c1,STBCMNNXORHNKC-UHFFFAOYSA-N
-rxn:4:187713:223832,CCOC(=O)C(=O)c1c[nH]c2c(F)cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)cc12,FXELGJQSPVJMAD-UHFFFAOYSA-N
-rxn:4:187822:222905,CC(C)(C)OC(=O)CN1Cc2cc(-c3cccnc3NC(=O)OC(C)(C)C)ccc2C1=O,XSLHYJVTNZMKKX-UHFFFAOYSA-N
-rxn:4:187822:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)c1,AQZSOXVBXYEMND-UHFFFAOYSA-N
-rxn:4:187866:223695,O=C(OCc1ccccc1)N1CCc2cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccc2C1,IWKYYKZRIVRVPT-UHFFFAOYSA-N
-rxn:4:187945:222539,COC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc2N(CC(C)C)CCC1,GHXUJSPZBSEAEM-UHFFFAOYSA-N
-rxn:4:187945:225035,COC(=O)C1=Cc2cc(-c3cc(F)ccc3OC3CCCCC3)ccc2N(CC(C)C)CCC1,GJNZZVZAYLJUMI-UHFFFAOYSA-N
-rxn:4:187971:223941,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc21,VEIFQDRBFGMSHG-UHFFFAOYSA-N
-rxn:4:187984:224156,CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4ccccc4n3C(=O)OC(C)(C)C)[nH]c2c1,ULBBOFNEYXTGAI-UHFFFAOYSA-N
-rxn:4:187985:224779,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4ccc(-c5ccccc5C(F)(F)F)s4)cc3)CCOCC12,LAMSOOTWNJOVSD-UHFFFAOYSA-N
-rxn:4:188005:224205,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cc(F)cc(F)c5OCc5ccccc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MLHBFHAJAXQQKT-UHFFFAOYSA-N
-rxn:4:188238:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)CC#N)c(F)c3)cc2F)CC1,MYGKIVONYWKODB-UHFFFAOYSA-N
-rxn:4:188283:223541,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(C#N)c1F,RZKLSBSYOVJEKF-UHFFFAOYSA-N
-rxn:4:188538:223526,CSCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,XAEXVJTVEHKJHI-UHFFFAOYSA-N
-rxn:4:188651:223595,Cc1ccc([N+](=O)[O-])c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1OC(F)F,PSGWUEOUQFQCPA-UHFFFAOYSA-N
-rxn:4:188662:223493,Cc1cc(OC(F)F)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c([N+](=O)[O-])c1,MFGSAJUAMMRHRB-UHFFFAOYSA-N
-rxn:4:188965:223698,CC(C)Oc1ccc([N+](=O)[O-])cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,CYWFBLRODQGQIA-UHFFFAOYSA-N
-rxn:4:189384:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cc(C(=O)N3CCC3)cc(C(F)(F)F)c2)cc1,ATSCYNNRJRBZOX-UHFFFAOYSA-N
-rxn:4:189384:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCC4)cc(C(F)(F)F)c3)cc2)CC1,HRDFBIQTWQSVCM-UHFFFAOYSA-N
-rxn:4:189421:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC(C)C)c(S(N)(=O)=O)c1,UYLFFYUIOBSNJR-UHFFFAOYSA-N
-rxn:4:189517:223077,O=S(=O)(NC1CC1)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)cc1,UOZUZNJSMSYXFO-UHFFFAOYSA-N
-rxn:4:189820:223959,CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3C(=O)N3CCCC3)ccc2Cl)CC1,FXOJBBKKCVTQKI-UHFFFAOYSA-N
-rxn:4:189849:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C)N3C(=O)CCC3=O)cc2)c(C(F)(F)F)c1,RQVLNBATMAJPMG-UHFFFAOYSA-N
-rxn:4:189866:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c1,SQAJHGPHJUHRMA-UHFFFAOYSA-N
-rxn:4:189927:223522,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,CTFVZSQFGCJLHI-UHFFFAOYSA-N
-rxn:4:189955:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1,UECYBPAKAKICAO-UHFFFAOYSA-N
-rxn:4:190008:222784,Cc1cc(OC2CCOCC2)c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-],MCGADNJMPASXNB-UHFFFAOYSA-N
-rxn:4:190015:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,DZDMNRVTDAVXAE-UHFFFAOYSA-N
-rxn:4:190120:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)CC1,VNLXIZLYRMZZBW-UHFFFAOYSA-N
-rxn:4:190180:222554,O=C(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cc1Cl,ZUFXDTKYRNEIOQ-UHFFFAOYSA-N
-rxn:4:190181:222466,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1CN1CCCCC1,GZAYMOZUFARXTM-UHFFFAOYSA-N
-rxn:4:190204:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN(C)C2CCOCC2)c(F)c1,WXYQDFSFVVSYNC-UHFFFAOYSA-N
-rxn:4:190312:223712,COc1ccc(-c2ccc(F)cc2CCN2CCCC(C)C2)cc1C12CC3CC(CC(C3)C1)C2,YCECIKBRQYJMSI-UHFFFAOYSA-N
-rxn:4:190355:226663,CC1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCSCC4)nc3)cc(C(F)(F)F)c2)CC1,GNNKRGGPGHNDBO-UHFFFAOYSA-N
-rxn:4:190378:224482,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cccc(OCCCN2CCCC2)c1,VMLGJRZWEPYCRO-UHFFFAOYSA-N
-rxn:4:190426:222647,Cc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)c(C)cc1NC(=O)OC(C)(C)C,SPWBPVRKXNCVCM-UHFFFAOYSA-N
-rxn:4:190426:223880,Cc1ccc2c(c1)cc(-c1ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,ASSPDCZFVGIEST-UHFFFAOYSA-N
-rxn:4:190426:224612,CC(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,NQPZSIUIHIMICJ-UHFFFAOYSA-N
-rxn:4:190430:223748,Cc1ccc(C(C)(C)C)cc1S(=O)(=O)c1ccnc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1,HKDDTVFHNVINQN-UHFFFAOYSA-N
-rxn:4:190473:224420,Cc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,WQGVFRZWHBTQHG-UHFFFAOYSA-N
-rxn:4:190474:222630,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,DVUCZVLTDKLVAY-UHFFFAOYSA-N
-rxn:4:190492:222824,Cc1cc(F)c(-c2ccc(CN3[C@@H](C)CCC(c4ccccc4)S3(=O)=O)c(F)c2)cc1S(=O)(=O)NC(C)C,RADGPAYXXKXFKI-SVQMELKDSA-N
-rxn:4:190542:223559,COC(=O)c1cc(OC)cc2sc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)nc12,GAXDJWQFYDKSRV-UHFFFAOYSA-N
-rxn:4:190762:224704,COc1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)cc2c1C(=O)N(CC(F)(F)F)CC2,IJEJTCJVNVSGDB-UHFFFAOYSA-N
-rxn:4:190861:222735,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(C(=O)NC4CCCCC4)c3)c(F)cc21,SSCUGGABWXMTED-UHFFFAOYSA-N
-rxn:4:190874:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)ON=C2CCCc3occc32)cc1,WOMPVYVNLHASOS-UHFFFAOYSA-N
-rxn:4:190897:225117,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc(OCCC(C)C)c(F)cc2F)o1,HROMFAKNOALUDZ-UHFFFAOYSA-N
-rxn:4:190902:224398,Cc1cc(F)c(-c2cccc3c2OCCN3C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCC1,XDKQBVHCPPGYNC-UHFFFAOYSA-N
-rxn:4:190927:225337,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)ccc2C1=O,LXIGABHTMBNTPX-UHFFFAOYSA-N
-rxn:4:190934:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)c(C)c1,BSIGFRWHDWKDED-UHFFFAOYSA-N
-rxn:4:191006:224818,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1,IYTITBNJJCQLGI-UHFFFAOYSA-N
-rxn:4:191007:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)cc1,KQQDUBOHNUULLJ-UHFFFAOYSA-N
-rxn:4:191032:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,IZTKBFRJUXBNGI-UHFFFAOYSA-N
-rxn:4:191032:225564,COC(=O)C(C)(C)c1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,FCNMQPHRAPTSTE-UHFFFAOYSA-N
-rxn:4:191039:223771,COc1ccc2c(c1)cc(-c1ccc3c(c1)C(C)(C)CN3C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,QTBPJSVQIYIKPG-UHFFFAOYSA-N
-rxn:4:191042:224842,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3C2=O)C1,FXUNHABMHUSFGJ-UHFFFAOYSA-N
-rxn:4:191045:224824,FC(F)(F)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)cc(C2OCCO2)c1,PHYHVDMCOXTFMZ-UHFFFAOYSA-N
-rxn:4:191062:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,WVEJGKMAPBZZRC-UHFFFAOYSA-N
-rxn:4:191062:227446,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2OCCO2)cc1,FPDHFLVQRYADMM-UHFFFAOYSA-N
-rxn:4:191090:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,QHSLYWKXKMKPBP-UHFFFAOYSA-N
-rxn:4:191103:225746,CC(C)(C)OC(=O)c1ncccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,DQPMFEDJJSECBJ-UHFFFAOYSA-N
-rxn:4:191103:226484,COCCOc1cc(Cl)ccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,NTFDLDCIVIBNRF-UHFFFAOYSA-N
-rxn:4:191123:226982,CCCCOc1ccccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,OLCAKUNNHRKOEC-UHFFFAOYSA-N
-rxn:4:191129:226062,CC(C)c1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(C(C)C)c1,KXQOYRRKTMIPGX-UHFFFAOYSA-N
-rxn:4:191136:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C23)cc1,ARTDNISTDHLGIA-UHFFFAOYSA-N
-rxn:4:191145:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc3c(c2)c2c(n3CC(F)(F)C(F)(F)F)CCCC2)c1F,DLGITGUBUBUFIN-UHFFFAOYSA-N
-rxn:4:191195:224902,COc1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc1-c1ccccc1,OKXDKTJIBOQZRF-UHFFFAOYSA-N
-rxn:4:191195:224947,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cccc(OCc3ccccn3)c1)c1c2CCC1,DBDMXGHCWRNPSC-UHFFFAOYSA-N
-rxn:4:191195:229100,Cc1nccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1F,AGOHRXTWAUJALK-UHFFFAOYSA-N
-rxn:4:191203:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc2)CC1,NVNPWVYTFOCKJN-UHFFFAOYSA-N
-rxn:4:193104:223567,CCc1cc(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)ccc1N1C(=O)C=CC1=O,CMWBBDCNKAODJK-UHFFFAOYSA-N
-rxn:4:193131:222389,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)C=C1,ZHHMKWAYNZRHRC-UHFFFAOYSA-N
-rxn:4:193191:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c(F)c2)CC1,NKVHLLIQPQNUIR-UHFFFAOYSA-N
-rxn:4:193199:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccccc3C3(C#N)CCOCC3)c2Cl)CC1,QGZYTWSSPDSPHM-UHFFFAOYSA-N
-rxn:4:193293:224246,CC1CCN(C(=O)c2ccc(-c3cc(N4CCCS4(=O)=O)cc(C(F)(F)F)c3)cc2F)CC1,YLJOMJGRXCFPCD-UHFFFAOYSA-N
-rxn:4:193303:224660,CN1CCN(C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(F)(F)C4)c(F)cc3F)cc2)CC1,KTORRNQKCJAHNO-UHFFFAOYSA-N
-rxn:4:193503:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(C)(=O)=O)c(C4=NOCC4)c3C)c2)CC1,MDFJJNUGEVDOQK-UHFFFAOYSA-N
-rxn:4:193503:224246,Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,BWSYWFFVGBQXBY-UHFFFAOYSA-N
-rxn:4:193503:224247,Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)ccc(S(C)(=O)=O)c1C1=NOCC1,MQFXZGRMZZPNQH-UHFFFAOYSA-N
-rxn:4:193503:224248,Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,YGGYKEJKRUUFPK-UHFFFAOYSA-N
-rxn:4:193503:224349,Cc1c(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,RAZBNMINKDAJGF-UHFFFAOYSA-N
-rxn:4:193515:222604,COc1ccc(-c2cc(C)cc(C(=O)N3CCC(F)(F)C3)c2F)cc1S(=O)(=O)NC1CCCC1,PUJUWTFPUHIVLT-UHFFFAOYSA-N
-rxn:4:193518:222630,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,YUICMURWIOSKCO-UHFFFAOYSA-N
-rxn:4:193518:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,NWTWJQCDZMOXOK-UHFFFAOYSA-N
-rxn:4:193518:223553,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2)cc1,SAOJFNDSVIPBDV-UHFFFAOYSA-N
-rxn:4:193575:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)cc1,JWALZFGLAUKZBJ-UHFFFAOYSA-N
-rxn:4:193575:223970,Cc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,ISWWXILTOJRPQT-UHFFFAOYSA-N
-rxn:4:193602:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)cc2)CC1,LEQJMCFJCYDZQM-UHFFFAOYSA-N
-rxn:4:193604:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cc2)CC1,SWZVEEJWHGRJOX-UHFFFAOYSA-N
-rxn:4:193614:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cc(C(F)(F)F)c3)cc2)CC1,KKILIAGOSAZMTL-UHFFFAOYSA-N
-rxn:4:193693:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,RBNDLUWRPBDJGI-UHFFFAOYSA-N
-rxn:4:193697:224396,Cc1cc(-c2ccc(C3C=CN(S(C)(=O)=O)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,JGUZCSOXOKVHFG-UHFFFAOYSA-N
-rxn:4:193775:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)cc1,DTGLZNMWQWGBGQ-UHFFFAOYSA-N
-rxn:4:193781:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)ccc1C(=O)N1CCC(F)(F)CC1,WZRQJZFMZVNEDR-UHFFFAOYSA-N
-rxn:4:193827:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,BVBBBDKWIAPRMZ-UHFFFAOYSA-N
-rxn:4:193829:224349,CC1CCCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc2)C1,SSCMREFKMGHKJA-UHFFFAOYSA-N
-rxn:4:193832:224318,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,IPWQQJNNPHROLF-UHFFFAOYSA-N
-rxn:4:193832:224349,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(N2CCCCC2)c(C(F)(F)F)c1,JKNLUHFZSLPSBV-UHFFFAOYSA-N
-rxn:4:193840:224349,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)C1,OPFUQSIMCXNXCD-UHFFFAOYSA-N
-rxn:4:193841:224318,CC1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CC1,JTCLHMMFNXYDKD-UHFFFAOYSA-N
-rxn:4:193844:224349,Cc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCCC2)c1,QCHSAMJZYAMVFJ-UHFFFAOYSA-N
-rxn:4:193850:224326,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc(N2CCC(F)(F)CC2)c1,GYYGFSPGFJGBAW-UHFFFAOYSA-N
-rxn:4:193850:224374,CCc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc(N2CCC(F)(F)CC2)c1,NPRTVAVJKPTISP-UHFFFAOYSA-N
-rxn:4:193869:224378,Cc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCC2)cc1Cl,IWRUDRHIKOOJOP-UHFFFAOYSA-N
-rxn:4:193886:224321,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,QWQRBACXQCIGDV-UHFFFAOYSA-N
-rxn:4:193886:224322,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,MRNIPFKRQPOZJX-UHFFFAOYSA-N
-rxn:4:193888:224321,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,VMLONBFCXPGRIF-UHFFFAOYSA-N
-rxn:4:193888:224322,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,HBYXZCSDUHVVCT-UHFFFAOYSA-N
-rxn:4:193909:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C4SC(=S)N(C5CCCCC5)C4=O)o3)cc2)CC1,FTDWTCIDOPGAGI-UHFFFAOYSA-N
-rxn:4:193940:223492,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(N2CCC(C)CC2)c1,CSVUZWQWAILDEJ-UHFFFAOYSA-N
-rxn:4:193954:224662,Cc1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cc(F)ccc1CN1CCN(C)CC1,VUNWMNAXIDWEHB-UHFFFAOYSA-N
-rxn:4:193957:222827,Cc1ccc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,QLRJMGGQPGSFNL-UHFFFAOYSA-N
-rxn:4:193963:222826,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,OGHRXMZSBFNFCG-UHFFFAOYSA-N
-rxn:4:193989:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCOC34CCCCC4)cc2)cc1,JFYNRNMIJZHSOU-UHFFFAOYSA-N
-rxn:4:193992:222826,Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,YSKZCQFEGHGLFP-UHFFFAOYSA-N
-rxn:4:193998:224647,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1C,ZAYRSVTWLXYKDG-UHFFFAOYSA-N
-rxn:4:194078:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4[nH]c(C(=O)C(F)(F)F)cc4c3)cc2)CC1,RRZVBAXPUBFJRF-UHFFFAOYSA-N
-rxn:4:194160:223490,Cc1ccc(-c2ccc3c(ccn3CC(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KWDYELPNTXILJV-UHFFFAOYSA-N
-rxn:4:194275:222514,COc1ccc(-c2cc3c(cc2C=C[N+](=O)[O-])OCCO3)cc1S(=O)(=O)NC1CCCCC1,MDLQOJMJGFNFPU-UHFFFAOYSA-N
-rxn:4:194275:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc2c(cc1C=C[N+](=O)[O-])OCCO2,UHWDHANFRKYEDN-UHFFFAOYSA-N
-rxn:4:194456:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)c3ccccc23)CC1,GXXNPUFUWFXFSJ-UHFFFAOYSA-N
-rxn:4:194461:224162,COC(=O)C1(C)CCc2c(cncc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)C1=O,NNJSKPGWZFWIRD-UHFFFAOYSA-N
-rxn:4:194622:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2CCN(C(=O)C2CCC2)C3)cc1,NPZFKHLVFZKNHG-SFHVURJKSA-N
-rxn:4:194626:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2C3CCC2CC(F)C3)cc1,JAVOZQPJPDXXFR-UHFFFAOYSA-N
-rxn:4:194644:222705,C=C1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)c1,DNIULGFMWFGIRF-UHFFFAOYSA-N
-rxn:4:194730:224593,COC1CCN(C2CCc3cc(-c4ccc(F)c(CN5CCC(C)CC5)c4)ccc32)CC1,YFARPHAKMVMXQL-UHFFFAOYSA-N
-rxn:4:194731:224702,COC1CCN(C2CCc3ccc(-c4cc(F)c(OC5CCCC5)c(F)c4C)cc32)CC1,KBPZUZOEVXHUAS-UHFFFAOYSA-N
-rxn:4:194749:223557,CC1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)CC1,VYKVLEBRVDKMOM-UHFFFAOYSA-N
-rxn:4:194750:225461,Cc1cc(N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,AAZTYAXEEYQNBA-UHFFFAOYSA-N
-rxn:4:194750:225831,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cnc1N1CCOCC1,OJBMZNCGDAFKIC-UHFFFAOYSA-N
-rxn:4:194757:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCCC2N1CCCC(C(F)(F)F)C1,PUFASGHKMJAVHR-UHFFFAOYSA-N
-rxn:4:194757:226561,COc1cc(OC)c(-c2ccc3c(c2)CCCC3N2CCCC(C(F)(F)F)C2)cc1OC,YGDHOOLZFOWWOE-UHFFFAOYSA-N
-rxn:4:194774:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(CN3CCCC(C)(C)C3)c3ccccc13)n2C(=O)OC(C)(C)C,MNNNKEYTPAHSBT-UHFFFAOYSA-N
-rxn:4:194774:223583,COC(=O)c1ccc2c(-c3ccc(CN4CCCC(C)(C)C4)c4ccccc34)cn(C(=O)OC(C)(C)C)c2c1,KGKALPSILNODKI-UHFFFAOYSA-N
-rxn:4:194784:224406,O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc21,LCFPUILIRUTIIE-UHFFFAOYSA-N
-rxn:4:194795:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(F)c6)C(=O)C45)cc3)c2)CC1,VSENDQJAYZRLPI-UHFFFAOYSA-N
-rxn:4:194810:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCC1=C(C(=O)OC)S2(=O)=O,QUWOVFKEGXZDBJ-UHFFFAOYSA-N
-rxn:4:194855:225190,COc1cc(N2CCOCC2)ccc1-c1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)cc1,FCKOPUVWMNYWEW-UHFFFAOYSA-N
-rxn:4:194859:223559,CCc1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)ccc3c1C2=O,IRQNLWRIBRFMNA-UHFFFAOYSA-N
-rxn:4:196938:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCCC4)ccn3)c2)CC1,AHKLLCVXMYICKP-UHFFFAOYSA-N
-rxn:4:196994:222520,Cc1cccc(N2CCOCC2=O)c1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,VCHQVXITVVXVTF-UHFFFAOYSA-N
-rxn:4:196998:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(N4CCOCC4=O)c(C)c3)c2)C1,KOHISWRSNDRUFW-UHFFFAOYSA-N
-rxn:4:197034:222511,Cc1c(C2=NC(C)(C)CO2)cccc1-c1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1,UDVPHFCJXQAHJU-UHFFFAOYSA-N
-rxn:4:197714:223480,CCc1cn(C)c2cc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(F)cc12,BGJBESPRIZGRCJ-UHFFFAOYSA-N
-rxn:4:197898:223712,COc1ccc(-c2ccc3c(c2)CCN(C2CCC2)C3)cc1C12CC3CC(CC(C3)C1)C2,ILMXNUPDHBITJW-UHFFFAOYSA-N
-rxn:4:197903:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(C=C3C(=O)C4CCN3CC4)c2)c(C(F)(F)F)c1,SXEFQKPXRMPFBQ-UHFFFAOYSA-N
-rxn:4:197904:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C=C2C(=O)C3CCN2CC3)cc1,HZFNAJVIPBVBBX-UHFFFAOYSA-N
-rxn:4:197927:223568,CC(C)N1C(=O)C(C)(C)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc21,FHUKSBPIMURRKZ-UHFFFAOYSA-N
-rxn:4:197989:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(c1)CCCC2N1CCCCC1C,FGHLYLXQZXNVRT-UHFFFAOYSA-N
-rxn:4:198013:224782,CC(=O)C1=C2CCCN2c2cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)ccc2S1(=O)=O,VKKHTBATPGJEMA-UHFFFAOYSA-N
-rxn:4:198013:225213,CC(=O)C1=C2CCCN2c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)ccc2S1(=O)=O,YUVNOMPEMSIKOU-UHFFFAOYSA-N
-rxn:4:198013:225228,CC(=O)C1=C2CCCN2c2cc(-c3ccc(N4CCN(C)CC4)cc3F)ccc2S1(=O)=O,OGCXZMLUWNLXDW-UHFFFAOYSA-N
-rxn:4:199498:223606,N#CCN(Cc1ccccc1)Cc1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,LGFJGKFYWDENRW-UHFFFAOYSA-N
-rxn:4:199500:222638,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cn1,ULQYLAGUKCNAIP-UHFFFAOYSA-N
-rxn:4:199539:224759,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cc1,MVOQYDYAIYMTAZ-UHFFFAOYSA-N
-rxn:4:199546:222442,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)o1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1,ZMMCTEFYPLFUHG-UHFFFAOYSA-N
-rxn:4:199550:223882,Cc1cccc2c1cc(-c1cnc(OCC(C)(C)C(=O)OC(C)(C)C)nc1)n2C(=O)OC(C)(C)C,VXKLHJGOLVAFBA-UHFFFAOYSA-N
-rxn:4:199575:223936,CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)cc2c(F)cccc21,TYDUJHOAOYSGHS-UHFFFAOYSA-N
-rxn:4:199577:222459,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2F)CC1,AZJVKULLMNJECT-UHFFFAOYSA-N
-rxn:4:199594:222888,CCC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccc(CN3CCNCC3)c(Cl)c2)c1,YCGDGDJPOBUPEF-UHFFFAOYSA-N
-rxn:4:199618:226496,CCN(CC)c1cc(F)c(-c2ccc(C(=O)N(CCN(C)C)C3CCOCC3)o2)cn1,UQHFBWYUXPJEBA-UHFFFAOYSA-N
-rxn:4:199673:228865,CCOc1cnc(-c2ccc(OC)c(CCC(=O)N3CC(N4C(=O)CCC4=O)C3)c2)cn1,AWNSDSHIEXQWRE-UHFFFAOYSA-N
-rxn:4:199687:222801,Cc1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1S(=O)(=O)NC(C)(C)C,DYPFHOVQMFBMFS-UHFFFAOYSA-N
-rxn:4:199692:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,CDKDGWLFRLFFCP-UHFFFAOYSA-N
-rxn:4:199743:223979,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)CC1,MRZBTXCEWBXRTM-UHFFFAOYSA-N
-rxn:4:199760:224780,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2ccc(C3CCOC3)c(C(F)(F)F)c2)CC1,KGVVMFKTGUDSPL-UHFFFAOYSA-N
-rxn:4:199787:226472,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-],NKYLIOHDIQCDSN-UHFFFAOYSA-N
-rxn:4:199791:224519,COc1ccc(-c2cccc(Cl)c2OCc2ccccc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QPNNVKNXIDTNHP-UHFFFAOYSA-N
-rxn:4:199809:224770,Cc1cc(-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,WKDPDBOBOLMWSG-UHFFFAOYSA-N
-rxn:4:199811:222729,CCCc1cc(-c2ccc(F)cc2CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc(C2CCCNC2)n1,HSWACZVUVARKPQ-UHFFFAOYSA-N
-rxn:4:199867:228095,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cccc(OCCF)c2)c(C2OCCO2)c1,PVSABKUECWEPNP-UHFFFAOYSA-N
-rxn:4:199868:222575,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C(=O)Nc5ccc(C)cc5Cl)cc4)cc3)=NC23CCCC3)cc(OC)c1OC,ALBRDNRYOSAQMQ-UHFFFAOYSA-N
-rxn:4:199882:225791,COc1ccccc1-n1cc(-c2cc(CN3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)cc(C(C)(C)C)c2)cn1,STRFLKSYNBTOHE-PKTZIBPZSA-N
-rxn:4:199930:225313,CCOC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc1)SCC2,UGWYDWZHCBQRGG-UHFFFAOYSA-N
-rxn:4:199961:225979,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cnc(N4CCOCC4)c(Cl)c3)ccc2n1,LIWRPEVVVVEGKC-UHFFFAOYSA-N
-rxn:4:199999:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1,CZNABKMAXRFVDN-UHFFFAOYSA-N
-rxn:4:200008:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(ccn3CC3CCN(C(=O)OCc4ccccc4)CC3)c2)c(C(C)C)c1,YLGDIRVPVKFWSF-UHFFFAOYSA-N
-rxn:4:200025:227441,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(C4CCC4)c(Cl)c3)ccc21,ZCGZMYHBIKLFRL-UHFFFAOYSA-N
-rxn:4:200056:227594,COC(=O)c1c(Cl)cccc1-c1cccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)c1,RMHMSKIWYPDVDB-UHFFFAOYSA-N
-rxn:4:200206:223635,CCOC(=O)C(C(C)C)n1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,SVNNSZUQSXPWGM-UHFFFAOYSA-N
-rxn:4:200256:223841,Cc1cc(F)c(-c2cnc(OCCCN(C)C)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,SKZUOOFJDDOCNQ-UHFFFAOYSA-N
-rxn:4:200283:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(F)(F)C3)c2)CC1,WGNBFGYYFXACIN-UHFFFAOYSA-N
-rxn:4:200309:224378,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1,RAYHFIYZFZSGRB-UHFFFAOYSA-N
-rxn:4:200309:224782,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1,KONQNCXBOYYMQX-UHFFFAOYSA-N
-rxn:4:200309:225167,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)cc(C(=O)N3CCCC3)c2)cc1,KNGWLGDVGFVVNI-UHFFFAOYSA-N
-rxn:4:200309:225193,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C3COCCO3)c(C#N)c2)cc1,ODXMVHNAURWFFJ-UHFFFAOYSA-N
-rxn:4:200309:225213,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(N3CCN(C)CC3)cc2Cl)cc1,LKNXIKVZISWDOR-UHFFFAOYSA-N
-rxn:4:200309:225228,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(N3CCN(C)CC3)cc2F)cc1,ROYVSXCPEGFXIQ-UHFFFAOYSA-N
-rxn:4:200309:225367,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCC(F)(F)CC3)nc2)cc1,FABWVXRZRWPNOQ-UHFFFAOYSA-N
-rxn:4:200330:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCCCC1,CMRUNLWBPYLSQY-UHFFFAOYSA-N
-rxn:4:200339:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc([N+](=O)[O-])ccc3OCCN3CCCC(F)(F)C3)cc2C1,FHMVUWHQCAVRLY-UHFFFAOYSA-N
-rxn:4:200360:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(C(=O)OCC(=O)N3CCCCC3C)c2)cc1,SVDDOSUMWSWUTD-UHFFFAOYSA-N
-rxn:4:200372:224002,O=C(CCc1ccccc1-c1cnc(-c2ccccc2C(F)(F)F)c(Cl)c1)N1CC(N2C(=O)CSC2=O)C1,SCOJAYSGYIVQMJ-UHFFFAOYSA-N
-rxn:4:200372:225364,Cc1cc(F)c(-c2ccccc2CCC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1S(=O)(=O)N(C)C,UBSNWEFRICOKBS-UHFFFAOYSA-N
-rxn:4:200385:227010,CC(C)OCc1ccccc1-c1cc(F)ccc1CC(=O)N1CCN(CC(F)(F)F)CC1,XUNYAGVHLQPJSL-UHFFFAOYSA-N
-rxn:4:200423:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c(F)c1,JKZUHFPQUNQQND-UHFFFAOYSA-N
-rxn:4:200431:226986,CCCCSc1ccc(-c2ccc(C(=O)N3CCC(CSC4=NCCS4)CC3)o2)cc1,XKEMFTYANQJWPO-UHFFFAOYSA-N
-rxn:4:200458:223831,COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3c(F)cccc3Cl)cc2)cc1S(=O)(=O)N1CCC(C)CC1,JNJTWXYGJDJZGE-UHFFFAOYSA-N
-rxn:4:200493:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1,BZVADUOLGIRQSN-UHFFFAOYSA-N
-rxn:4:200498:223995,CN1CCN(c2cc(-c3cnccc3OC3CCN(C(=O)Cc4ccccc4Cl)C3)cc(C(F)(F)F)c2)CC1,NPUQNBJEOQURGW-UHFFFAOYSA-N
-rxn:4:200526:223748,Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1,UFPMQKHKIVJQEN-UHFFFAOYSA-N
-rxn:4:200566:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3OCC)c(F)c2)CC1,REBAZALUBDFHMM-UHFFFAOYSA-N
-rxn:4:200568:225805,CCOc1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,NBSKYLPEHJIWQY-UHFFFAOYSA-N
-rxn:4:200590:222645,CCN(CC)Cc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1N1CCOCC1,OUPQCLRNVBWDSP-UHFFFAOYSA-N
-rxn:4:200610:223492,Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BZQXUAYQUMUKCC-UHFFFAOYSA-N
-rxn:4:200645:224399,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)cc1,NWOMEDZMGYEOQK-UHFFFAOYSA-N
-rxn:4:200705:223993,Cc1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1S(=O)(=O)N1CCN(C)CC1,PQZHMTDFLNXLIQ-UHFFFAOYSA-N
-rxn:4:200724:224579,Cc1cn(-c2ccc(C3CC3)c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)cn1,WEZARKVCBSHYNE-UHFFFAOYSA-N
-rxn:4:200727:226228,COCCCOc1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,UQKJYLPEATVUFI-UHFFFAOYSA-N
-rxn:4:200756:225987,COC1CCN(C2CN(C(=O)Cc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4)cc3)C2)CC1,PJJPDNFJPNRLIK-UHFFFAOYSA-N
-rxn:4:200774:225794,COc1cccc(C2CC(c3ccc(-c4cnc(OC5CCCCC5)nc4)cc3)=NN2S(C)(=O)=O)c1OC,WQLOOELOZIXNGU-UHFFFAOYSA-N
-rxn:4:200795:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)ccc1F,CQWPVQXMZOPBPX-UHFFFAOYSA-N
-rxn:4:200811:223140,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C3CCCNC3)c2)CC1,QEGSACYRLUCYMC-UHFFFAOYSA-N
-rxn:4:200822:226730,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCC4)nc3Cl)c2)CC1,TYHBVXLRQYNJBO-UHFFFAOYSA-N
-rxn:4:200824:224763,Cc1ccc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XVHQYBMQWKFJKR-UHFFFAOYSA-N
-rxn:4:200840:227426,COC(=O)C1CCCN(Cc2ccc(-c3ccc(C4CCCO4)nc3)cc2N2CCCC2)C1,RIDWFOZHJNIGND-UHFFFAOYSA-N
-rxn:4:200854:223084,COC(=O)C1CCCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCOCC2)C1,OQOMLNHYYJIELM-UHFFFAOYSA-N
-rxn:4:200890:226604,CCOc1ccc(-c2cc(Cl)c(F)c(OC(C)C)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,GGMSMGNGUOOYDX-UHFFFAOYSA-N
-rxn:4:200902:228724,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C#N)cc4Cl)cc2)CC3)cc1,VQJAKSASBOOCEG-UHFFFAOYSA-N
-rxn:4:200973:225166,CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C(C)(C)C)cc2c1-c1ccc(C(=O)N2CCCC2)c(F)c1,ZBRDLKRKOSVLTK-UHFFFAOYSA-N
-rxn:4:200999:223569,CCOC(=O)c1cc2c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)ccnc2n1S(=O)(=O)c1ccc(C)cc1,WUSDYOBLVBNKMF-UHFFFAOYSA-N
-rxn:4:201081:225363,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)ccc21,YTCATNORBNPNNQ-UHFFFAOYSA-N
-rxn:4:201098:225140,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(-n4ccnc4C)c(C#N)c3)ccc21,OSKRTJFBGGFPMR-UHFFFAOYSA-N
-rxn:4:201120:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccccc5)N4C3=O)cc2)cc1,QCMPCCOPWYKNDV-UHFFFAOYSA-N
-rxn:4:201124:226089,CCN(CC)Cc1ccccc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,JOOZLNPWEWMXEZ-UHFFFAOYSA-N
-rxn:4:201192:222782,Cc1cc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)cnc1NC(=O)OC(C)(C)C,TVUSCAGAIPPXJS-UHFFFAOYSA-N
-rxn:4:201385:223814,COC(=O)CCn1nc(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1C,OISGJHWDQWRIPE-UHFFFAOYSA-N
-rxn:4:201521:223900,CN(Cc1cc([N+](=O)[O-])ccc1-c1ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c1)C1CC1,ZSKRGOXQROVVSD-UHFFFAOYSA-N
-rxn:4:201621:222389,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,RAXDRCMJVLDLQO-UHFFFAOYSA-N
-rxn:4:201673:222633,N#CCC(=O)C1CCCN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2F)C1=O,ZFYASXQSBGSNNU-UHFFFAOYSA-N
-rxn:4:201693:223831,CCOC(=O)c1ncc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1N1CCOCC1,DMAUZOZUJSTOTC-UHFFFAOYSA-N
-rxn:4:201704:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CC(CN2C(=O)CCC2=O)C1,AJIUQHDEGQCBSZ-UHFFFAOYSA-N
-rxn:4:201733:224566,COC(=O)c1cc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)nn1CC1CCCCC1,GYLOXMHSOZDABI-UHFFFAOYSA-N
-rxn:4:201753:224325,COC(=O)C1CCN(c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc2C#N)CC1,SNAJGQNZLSRCJJ-UHFFFAOYSA-N
-rxn:4:201783:222699,CC(C)(C)OC(=O)N1CC(c2cncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)C1,HXSREDKKIVWPGM-UHFFFAOYSA-N
-rxn:4:201834:222889,CC(C)(C)OC(=O)N1CC=C(c2nc(-c3cc(F)cc(CN4CCNCC4)c3)cs2)CC1,HTXKDGQTHSWDER-UHFFFAOYSA-N
-rxn:4:201834:225744,CC(C)(C)OC(=O)c1cncc(-c2csc(C3=CCN(C(=O)OC(C)(C)C)CC3)n2)c1,HPSGTHRCAYDYBL-UHFFFAOYSA-N
-rxn:4:201844:224497,CCN1CCN(Cc2ccc(-c3cc(OC(F)(F)F)cc(N4CCN(CC)CC4)c3)cc2)CC1,BVNFJQYJPJNGIH-UHFFFAOYSA-N
-rxn:4:201857:223727,CCCCCc1ccc(-c2cccc(F)c2-c2ccc(CC(=O)N3CC(N4C(=O)CCC4=O)C3)cc2)cc1,XCDSVSNWDTXAAU-UHFFFAOYSA-N
-rxn:4:201906:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,JDBHFWIGWCZQHQ-UHFFFAOYSA-N
-rxn:4:201906:228299,CCOC(=O)c1csc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,MIEWLJUAVCNZPI-UHFFFAOYSA-N
-rxn:4:201930:222913,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)s2)CC1,IEBRKWCHOLWAKC-UHFFFAOYSA-N
-rxn:4:201950:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,OKFZWVWAURKMDV-UHFFFAOYSA-N
-rxn:4:202000:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cn2)cc1,FTYVOOTVUIBVAT-UHFFFAOYSA-N
-rxn:4:202004:224792,CCOc1ccc(-c2cc(C(F)(F)F)cnc2SCC(C)C)cc1S(=O)(=O)N1CCN(C)CC1,VJUWMPVZWCXPGV-UHFFFAOYSA-N
-rxn:4:202007:222960,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)cc(C2CCNCC2)c1,TXHZLLDDYQFITK-UHFFFAOYSA-N
-rxn:4:202013:224421,CC(C)c1cc(C(C)C)c(-c2cccc(CN3CCN(S(=O)(=O)C4CC4)CC3)c2)c(C(C)C)c1,VZUBHLYNBZLUNW-UHFFFAOYSA-N
-rxn:4:202014:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3CN3CCN(S(=O)(=O)C4CC4)CC3)c(F)ccc21,FPNIGTVINCVWLX-UHFFFAOYSA-N
-rxn:4:202018:222924,Cc1ccc(-c2ccc(N3CCOCC3)nc2C(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C,SQBUXOOYIJCOGG-UHFFFAOYSA-N
-rxn:4:202021:222581,CC(C)NS(=O)(=O)c1ccc(-c2cncc(C3COCCN3C(=O)OC(C)(C)C)c2)c2ccccc12,JVBKHRXGSKNXGZ-UHFFFAOYSA-N
-rxn:4:202103:224395,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)CC1,WAFXAVYNQKCASO-UHFFFAOYSA-N
-rxn:4:202121:222751,Cc1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1NC(=O)OC(C)(C)C,UMQZXKYLYMKJLF-UHFFFAOYSA-N
-rxn:4:202163:225561,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1C(=O)OC(C)(C)C,LILYVZBNMRSPQJ-UHFFFAOYSA-N
-rxn:4:202180:224394,Cc1ccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,DTZKFSBMOHHKHK-UHFFFAOYSA-N
-rxn:4:202195:226215,CO/N=C1\CCc2cc(-c3cccnc3OC3CCN(C(=O)C4CC=CCC4)CC3)ccc21,XSDMCGLDEAYMFM-XLVZBRSZSA-N
-rxn:4:202236:224156,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c1,KENMUYGPJDGNMR-UHFFFAOYSA-N
-rxn:4:202272:223177,CS(=O)(=O)NCc1ccc(-c2ccc(CN3CCCC(C(=O)N4CCSCC4)C3)cc2)cc1,VBUHQAAOTIHQJD-UHFFFAOYSA-N
-rxn:4:202284:225312,COc1ccc(-c2cnc(N3CCCN(C)CC3)nc2)cc1CN1CCC(N2CCCC2)CC1,QKQVKBAFHFXWIJ-UHFFFAOYSA-N
-rxn:4:202284:225665,COc1ccc(-c2ccc(Cl)cc2N2CCCCC2)cc1CN1CCC(N2CCCC2)CC1,FDIULZZCXATEDT-UHFFFAOYSA-N
-rxn:4:202284:226421,COc1ccc(-c2ccc(Cl)cc2N2CCCC2)cc1CN1CCC(N2CCCC2)CC1,CCLMXUDKUWAFIA-UHFFFAOYSA-N
-rxn:4:202284:226590,COc1ccc(-c2ccc(OC3CCOC3)nc2)cc1CN1CCC(N2CCCC2)CC1,QGDWHCKZOVHNGL-UHFFFAOYSA-N
-rxn:4:202284:226679,COc1ccc(-c2cnc(N3CCCC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,VITCQXXIIIMQNR-UHFFFAOYSA-N
-rxn:4:202303:223784,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3OC)cc2F)CC1,VSUORCPMCAJIJV-UHFFFAOYSA-N
-rxn:4:202310:227284,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(C2CC2)cn1,ONWDBBDMMDREFG-UHFFFAOYSA-N
-rxn:4:202347:224052,CCCc1ccc(-c2ccc(-c3cccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(C)cc4)c3)c(F)c2)cc1,AZUWSSXVXGDMSI-UHFFFAOYSA-N
-rxn:4:202457:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(C(F)F)c4cnn(C(=O)OC(C)(C)C)c4c3)cnc21,UMLPORUYPQZWEL-UHFFFAOYSA-N
-rxn:4:202592:224566,COC(=O)C1(c2ccc(-c3c(CO[Si](C)(C)C(C)(C)C)nn4c3CCC4)cc2)CCCC1,SZAWTOKVIUQFBV-UHFFFAOYSA-N
-rxn:4:202604:224586,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cc(F)ccc2CN2CCC(C)CC2)cc1,VLBBYYLCQFUZCM-UHFFFAOYSA-N
-rxn:4:202654:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)c1,NRMSWVSNKBISSP-FQEVSTJZSA-N
-rxn:4:202664:223973,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(Oc3cccnc3)C4)c(C(F)(F)F)c2)C1,GCVFDWYEDWHQMV-UHFFFAOYSA-N
-rxn:4:202677:222613,CCCNS(=O)(=O)c1ccc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(C(F)(F)F)c1,ZBQCQKXOFAKYCE-UHFFFAOYSA-N
-rxn:4:202677:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,BXHGEQPWNVFJGH-UHFFFAOYSA-N
-rxn:4:202696:223093,COc1cccc(N2C(=NC(=O)c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)SC3CS(=O)(=O)CC32)c1,CKSRXORVAOPYLY-UHFFFAOYSA-N
-rxn:4:202709:223506,CSc1cccc(N2C(=O)N(Cc3cccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)c3ccccc3S2(=O)=O)c1,GUBPTAXPRBHOOE-UHFFFAOYSA-N
-rxn:4:202723:224991,O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1)N1CCCCC1,LQDMNMVCDQQPJZ-UHFFFAOYSA-N
-rxn:4:202754:223510,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc32)CC1,DAAZRSINDMRUDD-UHFFFAOYSA-N
-rxn:4:202754:229054,COCc1cc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cs1,KRDIKFZOKGBKOY-UHFFFAOYSA-N
-rxn:4:202807:224127,CCN1CCN(C(C)c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,NJMQAYXELGJTAM-UHFFFAOYSA-N
-rxn:4:202813:222909,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(NC(=O)OC(C)(C)C)c4)ccc2OC3c2ccccc2Cl)cc1,GVXJVOUGJBOGJD-UHFFFAOYSA-N
-rxn:4:203442:223602,CCCn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1C(C)C,CTNWVDWFXRAVFH-UHFFFAOYSA-N
-rxn:4:203505:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(/C=N/[S@@](=O)C(C)(C)C)cn2)c(C(F)(F)F)c1,NBYNVVOCSSPNGK-IMWJJBRBSA-N
-rxn:4:203633:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(CN4CCOCC4)cc([N+](=O)[O-])c3)cnc21,HXSLTDOVILTIJF-UHFFFAOYSA-N
-rxn:4:203677:222826,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,JACCBHWDLSOGRK-UHFFFAOYSA-N
-rxn:4:203712:225199,O=S(=O)(c1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,GKFNHYRMGLSZIO-UHFFFAOYSA-N
-rxn:4:203712:225655,CC1CCN(c2cncc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)CC1,QMKWNUXIQMHRMY-UHFFFAOYSA-N
-rxn:4:203712:226427,CC1CCN(c2csc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)CC1,XCNVWJBNPJBACG-UHFFFAOYSA-N
-rxn:4:203731:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)cc2)CC1,WDHBMMWICZMVAT-UHFFFAOYSA-N
-rxn:4:203863:222708,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC(=O)CC(C)C)cc3)cc2Cl)CC1,VINRLWPVMYODEO-UHFFFAOYSA-N
-rxn:4:203881:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1,IZFZMYPROOMMEQ-UHFFFAOYSA-N
-rxn:4:203928:224710,CCCCOc1cc(-c2cccc(CN3CCN(C4CC4)CC3)c2Cl)cc(C(F)(F)F)c1,LQKQAMRINIUMPP-UHFFFAOYSA-N
-rxn:4:203999:223841,Cc1cc(F)c(-c2ccc(N3CCN(CC(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FMLJRQBLHOLGBK-UHFFFAOYSA-N
-rxn:4:204012:224678,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)c2)CC1,IZYRAHRGNWATCI-UHFFFAOYSA-N
-rxn:4:204017:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cccc(CN2CCN(S(C)(=O)=O)C(C)C2)c1,JWGGIKLKNAKDIN-UHFFFAOYSA-N
-rxn:4:204025:225294,CCN1CCN(c2ncc(-c3ccc(CN4CCN(C)CC4)c(S(C)(=O)=O)c3)cn2)CC1,JWPRHWXGMVSXHH-UHFFFAOYSA-N
-rxn:4:204026:222856,COc1ccc(C2CCNCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCN(C)CC1,XLMOFTUKMNWHDU-UHFFFAOYSA-N
-rxn:4:204038:225288,CC(C)Oc1ccc(-c2ccc(N3CCC(N(C)C)CC3)c(C(F)(F)F)c2)c(C(F)(F)F)c1,RJGPHHCBOCEDJS-UHFFFAOYSA-N
-rxn:4:204100:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(C(=O)N3CCCN(C4CCC4)CC3)c2)c1,FTGWZTMUCKROET-UHFFFAOYSA-N
-rxn:4:204134:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,WYRRGNPLHTUOQC-UHFFFAOYSA-N
-rxn:4:204135:223192,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1F,LZIXCWWALAESNC-UHFFFAOYSA-N
-rxn:4:204403:223926,COCn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1C12CCCC1O2,DOHPXIWGKFKXLD-UHFFFAOYSA-N
-rxn:4:204551:223054,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(C(C)N4CCC(O)C4)s3)cs1)C2,SNXFPPHDSLUSKV-UHFFFAOYSA-N
-rxn:4:204690:225112,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(Cl)c(OC(C)C)c(OCC)c4)cc32)SC1=S,GGFRJAPDIVHZSW-UHFFFAOYSA-N
-rxn:4:204691:222592,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)ccc21,CTIKARRPGGMGLS-UHFFFAOYSA-N
-rxn:4:204799:223954,O=C1CCN(CCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(F)cc54)cc3)cc2F)CC1,LOHKLMIFWCZNLB-UHFFFAOYSA-N
-rxn:4:204804:228610,CC(C)(C)c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)s1,NEBKPUSTRMSFHI-UHFFFAOYSA-N
-rxn:4:204815:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc23)ccc1OC,FEJMBQSYQVJNIB-UHFFFAOYSA-N
-rxn:4:204816:222702,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)ccc21,DJOZGEHNIZQFAD-UHFFFAOYSA-N
-rxn:4:204816:224891,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cc(N4CCCC4)ccc3C3CC3)ccc21,AIXSAACVSMBTQC-UHFFFAOYSA-N
-rxn:4:204840:222654,O=C(NC1CCCCC1)c1cc(-c2ccc(N3C(=O)CSC34C(=O)N(Cc3ccc(F)cc3)c3ccccc34)cc2)ccc1Cl,SSODZVRQUUVKGD-UHFFFAOYSA-N
-rxn:4:204875:225162,O=C(c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)cc1Cl)N1CCCC1,ZNNZGRNTBJFIGJ-UHFFFAOYSA-N
-rxn:4:205663:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4(C#N)CCC4)nc3)c2)CC1,DZOKLXKWPLRDEW-UHFFFAOYSA-N
-rxn:4:206256:224017,O=C(c1cc(Cl)ncc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F)N1CCC(F)(F)C1,IMOSNKAFCKNMBM-UHFFFAOYSA-N
-rxn:4:206433:223698,O=C(c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cnc1Cl)N1CCSCC1,UVCTVTHLPLUHDZ-UHFFFAOYSA-N
-rxn:4:206440:223997,Cc1cc(-c2cn(C3CCCCO3)nc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCOCC1,BKANXILXIHUKAW-UHFFFAOYSA-N
-rxn:4:206445:223911,CCOC(=O)C1(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)cc2)CCOCC1,JDMDESGCOXJDMF-UHFFFAOYSA-N
-rxn:4:206464:223482,O=[N+]([O-])c1cc(F)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1N1CCC(F)(F)C1,NOKPATVJMOFQAS-UHFFFAOYSA-N
-rxn:4:206472:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1cnc(N2CCC(F)(F)C2)cc1C(F)(F)F,QZHOFTWBXVTOMM-UHFFFAOYSA-N
-rxn:4:206524:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCOCC3)c2)CC1,WQAOYJZJUOUMDX-UHFFFAOYSA-N
-rxn:4:206693:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CN5CCC(F)(F)CC5)cn4)c3C(=O)C1C2(C)C,DMMZELAWZOGVFG-UHFFFAOYSA-N
-rxn:4:206714:222522,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCC(O)CC1,AEOFSBMSSPSFGY-UHFFFAOYSA-N
-rxn:4:206740:222717,Cc1cc(-c2ccc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)NC(C)(C)C)cc1F,NXWWIMSWMCODBN-UHFFFAOYSA-N
-rxn:4:206921:222466,CN1CCN(Cc2ccc(Cl)cc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,HABFGWUOSPVFMQ-UHFFFAOYSA-N
-rxn:4:206956:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,HCWQNIMEDSCADV-UHFFFAOYSA-N
-rxn:4:207060:222804,CN1CCCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,AERPIGNFHMBPRJ-UHFFFAOYSA-N
-rxn:4:207081:224759,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c1)C2,SXNNDFPBPDYWMQ-UHFFFAOYSA-N
-rxn:4:207736:224396,Cc1cc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)ccc1S(=O)(=O)N1CCOCC1,GHSDXQSUQKNLHN-UHFFFAOYSA-N
-rxn:4:207779:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)N1CCOCC1,KNJWVCZVNIYRKE-UHFFFAOYSA-N
-rxn:4:207779:224646,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)ccc1OC1CCOCC1,JNYHIZKJOCBVEQ-UHFFFAOYSA-N
-rxn:4:207786:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4c(c3)CN(c3ccc(S(N)(=O)=O)cc3)C(=O)CO4)c(F)c2)CC1,FPBCKJUDSVZGLT-UHFFFAOYSA-N
-rxn:4:207830:224582,CN1C(=O)C(=C2SC(=O)N(Cc3ccccc3)C2=O)c2cc(-c3cccc(N4CCN(C5CC5)CC4)c3)ccc21,HAEOBPHACKYCAT-UHFFFAOYSA-N
-rxn:4:207832:225290,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cc(OC(C)C)cc(C(F)(F)F)c4)cc3)C2=O)c2ccccc21,BZHSSISNRVCNLR-UHFFFAOYSA-N
-rxn:4:207959:222985,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCNC5)nc4C)ccc2OC3C2CCCCC2)cc1,AEWONKVMJRAAGS-UHFFFAOYSA-N
-rxn:4:209804:223640,CCOC12C(=O)c3cc(F)cc(-c4c(C)ccnc4N4CCOCC4)c3C(=O)C1C2(C)C,YJSGXCZAEJEVBP-UHFFFAOYSA-N
-rxn:4:209813:223697,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cnc1N1CCCCC1=O,FZBHMDKHRYOKLR-UHFFFAOYSA-N
-rxn:4:209823:223697,CC1CCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)CC1,LUPLZLUJTZVJPY-UHFFFAOYSA-N
-rxn:4:209823:223698,CC1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c2)CC1,LZEFSRFRVNNBBT-UHFFFAOYSA-N
-rxn:4:209847:223699,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)CC1,PMBJTEMKGVHQRV-UHFFFAOYSA-N
-rxn:4:210592:223588,CC(=O)N1CCOc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cnc21,WYBHXHDZOVNAHJ-UHFFFAOYSA-N
-rxn:4:210682:223502,Cn1cc(S(N)(=O)=O)c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc21,KNYCDNSYNRYQQI-UHFFFAOYSA-N
-rxn:4:211068:223508,N#CC1=C2CCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,KWTPJGKJBRWADV-UHFFFAOYSA-N
-rxn:4:211073:223508,N#CC1=C2CCCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,PXDMUJWGMIOCAX-UHFFFAOYSA-N
-rxn:4:211089:223508,N#CC1=C2CCCCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,OJSURWSRWZCDSD-UHFFFAOYSA-N
-rxn:4:211105:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)c4c2N(C(=O)C4=O)C3(C)C)cc1,ZGJXGTWDIWUBFH-UHFFFAOYSA-N
-rxn:4:212514:224746,CC(=O)N1CCN(c2ccc(-c3cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n3)cn2)CC1,RFLIFPYMZLNZGR-UHFFFAOYSA-N
-rxn:4:212568:222395,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1,JWXOIGUFKQEMMK-UHFFFAOYSA-N
-rxn:4:212568:222402,CCCNC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,PEDXAKDTESHLOV-UHFFFAOYSA-N
-rxn:4:212568:222409,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(N)(=O)=O,MPEZJMHQPYLKAQ-UHFFFAOYSA-N
-rxn:4:212568:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XPNCLFUWCKJNRI-UHFFFAOYSA-N
-rxn:4:212568:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RVJRJLJFEDIVPJ-UHFFFAOYSA-N
-rxn:4:212568:222415,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(S(N)(=O)=O)c2)cc1,XUSCFGIICRFHLH-UHFFFAOYSA-N
-rxn:4:212568:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc12,YAKJZYRQAFXRAF-UHFFFAOYSA-N
-rxn:4:212568:222440,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)cc1,LPNJFMGYUBNSHH-UHFFFAOYSA-N
-rxn:4:212568:222449,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NCc1ccccc1,XKYAOVIPYFPHMY-UHFFFAOYSA-N
-rxn:4:212568:222458,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2F)cc1,QXIPLSDVSBJUBL-UHFFFAOYSA-N
-rxn:4:212568:222472,COc1ccc(CNCc2ccc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,YEOGOPBDRRHWLH-UHFFFAOYSA-N
-rxn:4:212568:222498,Cc1ccc(S(=O)(=O)NCc2ccccc2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UOXVLWPVFFQELB-UHFFFAOYSA-N
-rxn:4:212568:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OEKZBPIUYDYBSG-UHFFFAOYSA-N
-rxn:4:212568:222501,Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,TVKCOCWRNXDKNB-UHFFFAOYSA-N
-rxn:4:212568:222532,Cc1ccc(C)c(NC(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)c1,MDRAAIUJZPPZNJ-UHFFFAOYSA-N
-rxn:4:212568:222542,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCCCN1CCNCC1,QRDCJTOYDPXUQP-UHFFFAOYSA-N
-rxn:4:212568:222561,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1,LPUGSNVFKLWXBI-UHFFFAOYSA-N
-rxn:4:212568:222563,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1,ISTUQSYKBXFSEF-UHFFFAOYSA-N
-rxn:4:212568:222565,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1,USKXFMFMGALYLX-UHFFFAOYSA-N
-rxn:4:212568:222567,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1,YDEUKLUXYWSMNL-UHFFFAOYSA-N
-rxn:4:212568:222583,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,PHVJSUBUTQBPPE-UHFFFAOYSA-N
-rxn:4:212568:222585,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C(=O)NCCN2CCOCC2)cc1,NYYABMUZJHTLDQ-UHFFFAOYSA-N
-rxn:4:212568:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,SPCRURVGEBFSJP-UHFFFAOYSA-N
-rxn:4:212568:222609,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1,FTBLGBXFEPJCIC-UHFFFAOYSA-N
-rxn:4:212568:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,DWAPJNBWJDGHOC-UHFFFAOYSA-N
-rxn:4:212568:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JNORRMJOOZEXOU-UHFFFAOYSA-N
-rxn:4:212568:222623,CCC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,PJFDFRIOJUHMTK-UHFFFAOYSA-N
-rxn:4:212568:222629,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCCNC2)n1,QKIVTLQIMBALGL-UHFFFAOYSA-N
-rxn:4:212568:222634,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1,XSXPFJYRWXGBBG-UHFFFAOYSA-N
-rxn:4:212568:222656,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)cc1,UMVFGSDOWFADEV-UHFFFAOYSA-N
-rxn:4:212568:222693,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1,XIBUMRDKIZBOKH-UHFFFAOYSA-N
-rxn:4:212568:222694,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,IISXHDCECUXUKK-UHFFFAOYSA-N
-rxn:4:212568:222703,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)cc1,LOMIAUYZWCFKOT-UHFFFAOYSA-N
-rxn:4:212568:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AUFQPIXHPQCGJG-UHFFFAOYSA-N
-rxn:4:212568:222777,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cc1,ATUWFWKMBSXVCG-UHFFFAOYSA-N
-rxn:4:212568:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LCXUXITXTIRGBT-UHFFFAOYSA-N
-rxn:4:212568:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VWBKMDPTKADBNG-UHFFFAOYSA-N
-rxn:4:212568:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WNPSGRJOXGXISR-UHFFFAOYSA-N
-rxn:4:212568:222806,CCCNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,KVHDFVFUXTWRJG-UHFFFAOYSA-N
-rxn:4:212568:222826,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,UHPYUKBIHQFOEC-UHFFFAOYSA-N
-rxn:4:212568:222845,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCNCC1,HUEZTWJXYMSTCB-UHFFFAOYSA-N
-rxn:4:212568:222849,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCNCC3)c(C#N)c2)cc1,LBGIJPBMMFBKOO-UHFFFAOYSA-N
-rxn:4:212568:222864,CC(C)NCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,VVOSHSJMNCXRLW-UHFFFAOYSA-N
-rxn:4:212568:222891,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,QFPIZSURPAXACQ-UHFFFAOYSA-N
-rxn:4:212568:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PUKNBZJSYMMCCW-UHFFFAOYSA-N
-rxn:4:212568:222903,COCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,KRDSRMZKWCMRIZ-UHFFFAOYSA-N
-rxn:4:212568:222915,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)cc1,ACEPXLSRMCLDRM-UHFFFAOYSA-N
-rxn:4:212568:222916,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NC3=NCCS3)c2)cc1,ICTCPINYNXJECP-UHFFFAOYSA-N
-rxn:4:212568:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YFXXSFDSOFMVGM-UHFFFAOYSA-N
-rxn:4:212568:222934,CCNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,DAPDBAMBVMOUTJ-UHFFFAOYSA-N
-rxn:4:212568:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,IFFGZQPCBSSWGV-UHFFFAOYSA-N
-rxn:4:212568:222952,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2F)cc1,LMOYTNXGARXLBH-UHFFFAOYSA-N
-rxn:4:212568:222956,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C2CCCNC2)c1,WBSUOSOKCKSRQV-UHFFFAOYSA-N
-rxn:4:212568:222962,CCCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BDWAXFCOESWRFC-UHFFFAOYSA-N
-rxn:4:212568:222964,C#CCCC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZJURBNZAGRFOAC-UHFFFAOYSA-N
-rxn:4:212568:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IWHJNHABNSEKKV-UHFFFAOYSA-N
-rxn:4:212568:222988,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,OHSLBSHXLBWKAP-UHFFFAOYSA-N
-rxn:4:212568:223010,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1,BNFRXROMMMTWNF-UHFFFAOYSA-N
-rxn:4:212568:223018,CC1(C)Oc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2NC1=O,CRVQBQMZULXPRB-UHFFFAOYSA-N
-rxn:4:212568:223019,N#CCCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XQOXHHBLGIDCIZ-UHFFFAOYSA-N
-rxn:4:212568:223021,COCCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QTVMZNPEWITXNU-UHFFFAOYSA-N
-rxn:4:212568:223022,COCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,LQTUYOJYYXAVPN-UHFFFAOYSA-N
-rxn:4:212568:223041,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)NC3CC3)ccc2F)cc1,VCZQAMLFRGOTAS-UHFFFAOYSA-N
-rxn:4:212568:223043,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CC3)c(Cl)c2)cc1,PDEDEWSPQLLMPB-UHFFFAOYSA-N
-rxn:4:212568:223051,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1,CIKZKXZQUPTBOI-UHFFFAOYSA-N
-rxn:4:212568:223054,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1)N1CCC(O)C1,HFNACEKSQHRPED-UHFFFAOYSA-N
-rxn:4:212568:223065,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1,CZCYVTUAAGLTCG-UHFFFAOYSA-N
-rxn:4:212568:223076,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1,RMCUFDYMQGSSFY-UHFFFAOYSA-N
-rxn:4:212568:223095,CC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1[N+](=O)[O-],BHADTJQTINNKRM-UHFFFAOYSA-N
-rxn:4:212568:223099,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)cc1,IKKJLVBXGRHZDS-UHFFFAOYSA-N
-rxn:4:212568:223114,CCCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KEYMWYAFVWDYSH-UHFFFAOYSA-N
-rxn:4:212568:223115,CC(=O)NCCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,MIBOZXVMPFYMGO-UHFFFAOYSA-N
-rxn:4:212568:223119,C#CCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,OLFKPBHMAZBSCI-UHFFFAOYSA-N
-rxn:4:212568:223127,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNC3CC3)cc2F)cc1,QHBPMRBXNCFQOH-UHFFFAOYSA-N
-rxn:4:212568:223128,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNC3CC3)c(F)c2)cc1,SDUXVGWRNYBOMZ-UHFFFAOYSA-N
-rxn:4:212568:223131,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1,XGYVTQYWBQLEFV-UHFFFAOYSA-N
-rxn:4:212568:223132,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCNCC3)c2)cc1,MADXKDXEPJHECT-UHFFFAOYSA-N
-rxn:4:212568:223143,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCC(O)C3)c2)cc1,QZTXDBZVEZBVPK-UHFFFAOYSA-N
-rxn:4:212568:223145,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1,QDGUBHMYBAVHFH-UHFFFAOYSA-N
-rxn:4:212568:223159,CCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,JFMOOAFJPBTIBP-UHFFFAOYSA-N
-rxn:4:212568:223166,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCNCC3)nc2)cc1,KBTXLWYILZSPHC-UHFFFAOYSA-N
-rxn:4:212568:223167,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1,DPMBTNGIPYBSBC-UHFFFAOYSA-N
-rxn:4:212568:223176,CS(=O)(=O)NCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NODWHFIHFPYBNB-UHFFFAOYSA-N
-rxn:4:212568:223177,CS(=O)(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WKLJDMQTBWTQEO-UHFFFAOYSA-N
-rxn:4:212568:223178,CONC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ASSOMBDETZOMLU-UHFFFAOYSA-N
-rxn:4:212568:223184,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1,LDLASOBDXPLQHH-UHFFFAOYSA-N
-rxn:4:212568:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MTUFXBKAFDMUFI-UHFFFAOYSA-N
-rxn:4:212568:223192,CNS(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,BZQRPEVLBXEPAI-UHFFFAOYSA-N
-rxn:4:212568:223218,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc2c1NCCO2,MGXCWZCFADBFSK-UHFFFAOYSA-N
-rxn:4:212568:223223,CCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ITMROXWJHDFIKZ-UHFFFAOYSA-N
-rxn:4:212568:223225,CCNC(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ARPBBJYPSCKNEI-UHFFFAOYSA-N
-rxn:4:212568:223252,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c3c(c2)NCCO3)cc1,KKGJEKZFTOSFBL-UHFFFAOYSA-N
-rxn:4:212568:223253,CCCCNc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,PDRCIKLURQWUOT-UHFFFAOYSA-N
-rxn:4:212568:223263,CNC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HQWGAEHGHXQQMI-UHFFFAOYSA-N
-rxn:4:212568:223268,CNC(=O)c1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JMMXSQILWDLGEE-UHFFFAOYSA-N
-rxn:4:212568:223273,CNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,NZAKOWIGUSRZIX-UHFFFAOYSA-N
-rxn:4:212568:223284,CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,MHOVFDVUUWDUSG-UHFFFAOYSA-N
-rxn:4:212568:223285,CS(=O)(=O)Nc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HGLADKKSGLKAJD-UHFFFAOYSA-N
-rxn:4:212568:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SBIMCVCXPJRKHY-UHFFFAOYSA-N
-rxn:4:212568:223288,CNS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HJAYLRWKFIZTSU-UHFFFAOYSA-N
-rxn:4:212568:223387,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)[nH]n1,SGHKHXSIESDSQF-UHFFFAOYSA-N
-rxn:4:212568:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,TZJTTXIFIGIGBH-UHFFFAOYSA-N
-rxn:4:212568:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,HRCHEPQFTISNLV-UHFFFAOYSA-N
-rxn:4:212568:223497,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,AYUILMIPTRUJPF-UHFFFAOYSA-N
-rxn:4:212568:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,JMHRRTHWQMAKTE-UHFFFAOYSA-N
-rxn:4:212568:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,ICCCONJOQPWRRS-UHFFFAOYSA-N
-rxn:4:212568:223539,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KLRRTYCSENKGLI-UHFFFAOYSA-N
-rxn:4:212568:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RXYJYAGHQMZIRS-UHFFFAOYSA-N
-rxn:4:212568:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2OC(F)(F)F)CC1,HCASSAOJRQEKOP-UHFFFAOYSA-N
-rxn:4:212568:223571,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1,YQGUJXFPWVYNBY-UHFFFAOYSA-N
-rxn:4:212568:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,GTRFSRVONWBHII-UHFFFAOYSA-N
-rxn:4:212568:223586,COc1ccc(COc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc(C(F)(F)F)c2)cc1,LGZTYWORHARYFX-UHFFFAOYSA-N
-rxn:4:212568:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,SALXKJUCPUHLPL-UHFFFAOYSA-N
-rxn:4:212568:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(Cl)c2)CC1,HBNUYOMLHYQFOO-UHFFFAOYSA-N
-rxn:4:212568:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,WAHNXARXVCPWPD-UHFFFAOYSA-N
-rxn:4:212568:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,LXRPXDWGKLWIGG-UHFFFAOYSA-N
-rxn:4:212568:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c3cc(Cl)cnc32)cc1,CHDWYVWHDYHIQY-UHFFFAOYSA-N
-rxn:4:212568:223605,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1,IKXUHLLRHDREEP-UHFFFAOYSA-N
-rxn:4:212568:223608,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1,JTLNLVDHGNJRNH-UHFFFAOYSA-N
-rxn:4:212568:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)C1,QVZBCJSLPASESP-UHFFFAOYSA-N
-rxn:4:212568:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,VBHKYYFIEGEGEM-UHFFFAOYSA-N
-rxn:4:212568:223662,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1,CXAJCCVTHLKSCF-UHFFFAOYSA-N
-rxn:4:212568:223663,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCc3ccccc3)cc(OC(F)(F)F)c2)cc1,RZQWUFVIUNKQPH-UHFFFAOYSA-N
-rxn:4:212568:223665,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2COc2ccc(OC(F)(F)F)cc2)cc1,ZKCRRBHPVULSLH-UHFFFAOYSA-N
-rxn:4:212568:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C)CC1,ZSRQFJJQWFVSLL-UHFFFAOYSA-N
-rxn:4:212568:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)cc2C)CC1,MVRMUJNKYMBRIN-UHFFFAOYSA-N
-rxn:4:212568:223695,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,QRWCYNSVRPXKEP-UHFFFAOYSA-N
-rxn:4:212568:223696,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,DUFZNMSOIUSJBF-UHFFFAOYSA-N
-rxn:4:212568:223697,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1,LECAXEWKYJUYFP-UHFFFAOYSA-N
-rxn:4:212568:223712,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C12CC3CC(CC(C3)C1)C2,JNYLECGCILHONZ-UHFFFAOYSA-N
-rxn:4:212568:223743,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCCCN1CCC(C)CC1,WMVWSDQTQXOHMT-UHFFFAOYSA-N
-rxn:4:212568:223748,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1,YSIVMTQOYRLQPF-UHFFFAOYSA-N
-rxn:4:212568:223752,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)cc1,IAMBQOVZGREOLN-UHFFFAOYSA-N
-rxn:4:212568:223753,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCCCN1CCN(C)CC1,IAJVHIKFTYQSBJ-UHFFFAOYSA-N
-rxn:4:212568:223754,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,ZSLPZIGLNXNIDA-UHFFFAOYSA-N
-rxn:4:212568:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,IYVMJMBEFCXZPZ-UHFFFAOYSA-N
-rxn:4:212568:223785,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,PKDCPPBNAFVWBF-UHFFFAOYSA-N
-rxn:4:212568:223787,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,GQYDEQRMCPQBCT-UHFFFAOYSA-N
-rxn:4:212568:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,IGMNTVVRXGNCNL-UHFFFAOYSA-N
-rxn:4:212568:223801,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)cc1,HAPLWGNVCUCQDA-UHFFFAOYSA-N
-rxn:4:212568:223806,COc1ccc(COc2c(F)ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2F)cc1,ILCDSJLPKWBNSV-UHFFFAOYSA-N
-rxn:4:212568:223811,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,AVSVFJYYSIDMPS-UHFFFAOYSA-N
-rxn:4:212568:223813,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,VLZQGMHYSFIOTQ-UHFFFAOYSA-N
-rxn:4:212568:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,DLWHHGYIICYXHO-UHFFFAOYSA-N
-rxn:4:212568:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LITSOQDTPOFUJW-UHFFFAOYSA-N
-rxn:4:212568:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,PPUXVBLOPTYDCV-UHFFFAOYSA-N
-rxn:4:212568:223846,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,FODXZHYKMPMVPU-UHFFFAOYSA-N
-rxn:4:212568:223861,CCCCOc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,JPOYPZRWNCKBFW-UHFFFAOYSA-N
-rxn:4:212568:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2C1,VUKIUSGPDXRZDT-UHFFFAOYSA-N
-rxn:4:212568:223897,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCCCN1CCOCC1,ZFXRBFOLEIFXST-UHFFFAOYSA-N
-rxn:4:212568:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,GKFXTGDCOIEKCZ-UHFFFAOYSA-N
-rxn:4:212568:223903,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)cc1,CQFJSFCWMJKJED-UHFFFAOYSA-N
-rxn:4:212568:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,VYFWHIVESOCIRT-UHFFFAOYSA-N
-rxn:4:212568:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HGTKMTIGUUMUGG-UHFFFAOYSA-N
-rxn:4:212568:223917,CN(C(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)C1CCCCC1,LVVRVFTYCFGQFE-UHFFFAOYSA-N
-rxn:4:212568:223918,CN(C(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)C1CCCCC1,IOELVIUYYIPXPY-UHFFFAOYSA-N
-rxn:4:212568:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,RWDHNDSYMSZGSS-UHFFFAOYSA-N
-rxn:4:212568:223952,CN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,KEYIJXFJUDNWGF-UHFFFAOYSA-N
-rxn:4:212568:223955,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(SCc3ccccc3[N+](=O)[O-])cc2)cc1,DSJVGCVYGHWMBN-UHFFFAOYSA-N
-rxn:4:212568:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,AVSDQHOKSWGLJR-UHFFFAOYSA-N
-rxn:4:212568:223959,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)CC1,JBVYUJWHTOTHIH-UHFFFAOYSA-N
-rxn:4:212568:223962,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)ccc(OCc3ccccc3F)c2F)cc1,GNKPLXCMEXMARA-UHFFFAOYSA-N
-rxn:4:212568:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,ARFVIIUVBUQIEH-UHFFFAOYSA-N
-rxn:4:212568:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,NAZANKPJQPPFKD-UHFFFAOYSA-N
-rxn:4:212568:223979,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1,QTIPZCAFYHCCBI-UHFFFAOYSA-N
-rxn:4:212568:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,CNDCBMNREMEVBE-UHFFFAOYSA-N
-rxn:4:212568:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,JYWBVZXJLYMQCV-UHFFFAOYSA-N
-rxn:4:212568:223984,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)cc1,UYWKESJFRVEHBF-UHFFFAOYSA-N
-rxn:4:212568:223985,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCCCC1,PRLPTMJXXXDSSU-UHFFFAOYSA-N
-rxn:4:212568:223986,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(Oc3ccc(F)cc3[N+](=O)[O-])c2)cc1,UHEGCJHSHIRLHX-UHFFFAOYSA-N
-rxn:4:212568:223992,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BKHPXHYCGPAWMP-UHFFFAOYSA-N
-rxn:4:212568:223993,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,XDUWNPMWQQHXEM-UHFFFAOYSA-N
-rxn:4:212568:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,WHKNYRNZZODLCO-UHFFFAOYSA-N
-rxn:4:212568:224009,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCOCC1,ODRNENYBXQRXML-UHFFFAOYSA-N
-rxn:4:212568:224022,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,TXSMQDZUZWHREK-UHFFFAOYSA-N
-rxn:4:212568:224072,COCCCOc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,SVHMSMPMTWIJCV-UHFFFAOYSA-N
-rxn:4:212568:224073,CC[Si](CC)(CC)c1cc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2s1,YOIOHBYTEXUPJL-UHFFFAOYSA-N
-rxn:4:212568:224089,CC1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,DUWRCACBLLSZOQ-UHFFFAOYSA-N
-rxn:4:212568:224100,CC1CCN(CCOc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,FSFCLMPNFWEOPJ-UHFFFAOYSA-N
-rxn:4:212568:224120,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1CO[Si](C)(C)C(C)(C)C,SUTMCVQYBCYWOQ-UHFFFAOYSA-N
-rxn:4:212568:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,XGJYWVZVTXJWRD-UHFFFAOYSA-N
-rxn:4:212568:224153,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1,VCXWGNFADOFWIU-UHFFFAOYSA-N
-rxn:4:212568:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OOIZWURYGADSBH-UHFFFAOYSA-N
-rxn:4:212568:224170,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc1,CDOIPMYUFFJHCL-UHFFFAOYSA-N
-rxn:4:212568:224178,CN1CCN(CCOc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,CRULKHYZZRSXMO-UHFFFAOYSA-N
-rxn:4:212568:224180,CN1CCN(CCOc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,AKZKVDKQGOCXOC-UHFFFAOYSA-N
-rxn:4:212568:224182,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OCCN1CCOCC1,GOMSDZCRNZALLM-UHFFFAOYSA-N
-rxn:4:212568:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)CC1,ZGQRPNSJNVAKKN-UHFFFAOYSA-N
-rxn:4:212568:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,DCTGHRIRWVNLBU-UHFFFAOYSA-N
-rxn:4:212568:224254,CC1CCCN(C(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)C1,KFNABCPYVRZOBN-UHFFFAOYSA-N
-rxn:4:212568:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,WNEFUQQHIFDREW-UHFFFAOYSA-N
-rxn:4:212568:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,BGDZNSFQBMJTTN-UHFFFAOYSA-N
-rxn:4:212568:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,CIQXUOXIHODJCZ-UHFFFAOYSA-N
-rxn:4:212568:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AUPBOMBUPRZDJL-UHFFFAOYSA-N
-rxn:4:212568:224306,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1,AJSRQCLLKYMKDF-UHFFFAOYSA-N
-rxn:4:212568:224317,CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,AVNCWHKCXHEDFU-UHFFFAOYSA-N
-rxn:4:212568:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HLYBWDJDKPKOAC-UHFFFAOYSA-N
-rxn:4:212568:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,UGZFYNPUOMZGLH-UHFFFAOYSA-N
-rxn:4:212568:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SZHIECXQYDZSOH-UHFFFAOYSA-N
-rxn:4:212568:224330,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)cc1,HHBFTNLBIOTOIF-UHFFFAOYSA-N
-rxn:4:212568:224355,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1,GFUJEWSQMFXCEV-UHFFFAOYSA-N
-rxn:4:212568:224359,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,GUHXXXGQZGMYTJ-UHFFFAOYSA-N
-rxn:4:212568:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NFQLAASPQYOROL-UHFFFAOYSA-N
-rxn:4:212568:224373,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCCC1,LEZWRIZLZTWCKT-UHFFFAOYSA-N
-rxn:4:212568:224375,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1,OQSDEGKYQJUKBN-UHFFFAOYSA-N
-rxn:4:212568:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,NYQOSKTVBHAOTD-UHFFFAOYSA-N
-rxn:4:212568:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,WEABNKDAAHOHCY-UHFFFAOYSA-N
-rxn:4:212568:224382,Cc1ccn(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C(F)(F)F)n1,NAJNIIABWDLHGF-UHFFFAOYSA-N
-rxn:4:212568:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BBKOBFZBMPGNFD-UHFFFAOYSA-N
-rxn:4:212568:224396,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1S(=O)(=O)N1CCOCC1,DKFKESQWHWCBRZ-UHFFFAOYSA-N
-rxn:4:212568:224397,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,KOAFEADDZJVJTQ-UHFFFAOYSA-N
-rxn:4:212568:224398,Cc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCCC1,IFJOYAWAIWLQJE-UHFFFAOYSA-N
-rxn:4:212568:224399,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)cc1,OSVYDPSHNVCFMI-UHFFFAOYSA-N
-rxn:4:212568:224404,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1,MEXKJEREPDPAGG-UHFFFAOYSA-N
-rxn:4:212568:224406,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1,QXKOXGZJVGCOMT-UHFFFAOYSA-N
-rxn:4:212568:224409,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1,JAZUFOWLHZZMRN-UHFFFAOYSA-N
-rxn:4:212568:224459,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1N1CCCC1,JVAPHHBKJPUGEH-UHFFFAOYSA-N
-rxn:4:212568:224472,CC(C)Oc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1Cl,KGLCCTIQYGLCFL-UHFFFAOYSA-N
-rxn:4:212568:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1)C(C)C,XHMXVDZDXCXSEC-UHFFFAOYSA-N
-rxn:4:212568:224494,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CCOC3CCCCO3)cc2)cc1,KSSLNFRZFLWYGU-UHFFFAOYSA-N
-rxn:4:212568:224496,CCN1CCN(Cc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,UYUALXNZUKROGL-UHFFFAOYSA-N
-rxn:4:212568:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,HSHDSRQYVTTWQE-UHFFFAOYSA-N
-rxn:4:212568:224502,CN1CCCCC1COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QKLUSMOZLXOSMM-UHFFFAOYSA-N
-rxn:4:212568:224573,CC1CCCCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C#N)c1,QGPLQINZUIGYEP-UHFFFAOYSA-N
-rxn:4:212568:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,FHRNERSFTJHJPE-UHFFFAOYSA-N
-rxn:4:212568:224585,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,HCNOQKLFHNVKAC-UHFFFAOYSA-N
-rxn:4:212568:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FVZKWMYFMLPXNZ-UHFFFAOYSA-N
-rxn:4:212568:224604,Cc1nc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)cc2n1C(C)(C)C,KHSMAQVTOOQDGC-UHFFFAOYSA-N
-rxn:4:212568:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,VSSLIKDJVTTYTJ-UHFFFAOYSA-N
-rxn:4:212568:224621,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1,DIUSPPCEQRAJFJ-UHFFFAOYSA-N
-rxn:4:212568:224625,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC(C)C,UNWVNFAYKNSUPB-UHFFFAOYSA-N
-rxn:4:212568:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)C1,UZRTUGHCYQRMLF-UHFFFAOYSA-N
-rxn:4:212568:224634,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1CN1CCOCC1,ZCICQBJAQYHDOO-UHFFFAOYSA-N
-rxn:4:212568:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QNIUKCPTBSOVOS-UHFFFAOYSA-N
-rxn:4:212568:224658,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,AYSMQEVGBJUZLV-UHFFFAOYSA-N
-rxn:4:212568:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,VHLOUQYMMZUARS-UHFFFAOYSA-N
-rxn:4:212568:224666,CN1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)CC1,RPWZIUDZTVHNPK-UHFFFAOYSA-N
-rxn:4:212568:224667,CN1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)CC1,ZVUNSJIJBLTZSJ-UHFFFAOYSA-N
-rxn:4:212568:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,DDYZDINUBBBYDN-UHFFFAOYSA-N
-rxn:4:212568:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,BBPTXPFKTOTBAE-UHFFFAOYSA-N
-rxn:4:212568:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(Cl)c2)CC1,SXYUMIHFVIDWFH-UHFFFAOYSA-N
-rxn:4:212568:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,FMJDRYFFONDYOV-UHFFFAOYSA-N
-rxn:4:212568:224682,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1,KBLFLMVXBSVODC-UHFFFAOYSA-N
-rxn:4:212568:224683,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1,GMNPLFHNZNIFCP-UHFFFAOYSA-N
-rxn:4:212568:224685,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1,FRGJNJQEAUCWFW-UHFFFAOYSA-N
-rxn:4:212568:224689,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2Cl)cc1,GNVUDBNKCOEWBQ-UHFFFAOYSA-N
-rxn:4:212568:224709,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(OC(F)(F)F)ccc3ccccc23)cc1,LSDOKVJFVXRBTR-UHFFFAOYSA-N
-rxn:4:212568:224710,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,HPEBIFMDWOCRKV-UHFFFAOYSA-N
-rxn:4:212568:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AXEILKNSBXGGIY-UHFFFAOYSA-N
-rxn:4:212568:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DGKYPPVOMYWRJE-UHFFFAOYSA-N
-rxn:4:212568:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,KKLPKPWWFSRDCV-UHFFFAOYSA-N
-rxn:4:212568:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C,CVMGFZSZCFVSLJ-UHFFFAOYSA-N
-rxn:4:212568:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RUYNPYBLXGUROQ-UHFFFAOYSA-N
-rxn:4:212568:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,UUJDRGQDDUKERK-UHFFFAOYSA-N
-rxn:4:212568:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VGXGANCUFVIPMF-UHFFFAOYSA-N
-rxn:4:212568:224756,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1,HPIOAHVZJMLAHZ-UHFFFAOYSA-N
-rxn:4:212568:224757,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)cc1,JKBCOORDAGFQFP-UHFFFAOYSA-N
-rxn:4:212568:224758,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1,LVZQBWDZZQUBSF-UHFFFAOYSA-N
-rxn:4:212568:224759,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cc1,USMPFGUMDYIWQH-UHFFFAOYSA-N
-rxn:4:212568:224760,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,GMOOBOFCDCACHG-UHFFFAOYSA-N
-rxn:4:212568:224762,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)cc1,NVJQVMCILMEIRB-UHFFFAOYSA-N
-rxn:4:212568:224772,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1,VFIFXXXUHBIWDX-UHFFFAOYSA-N
-rxn:4:212568:224773,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1S(=O)(=O)N1CCCC1,NXLYFCPHMYVEFN-UHFFFAOYSA-N
-rxn:4:212568:224785,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c3ncccc23)cc1,FXXWICCLSAJBCW-UHFFFAOYSA-N
-rxn:4:212568:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HPNFZQROFDXMNN-UHFFFAOYSA-N
-rxn:4:212568:224811,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1,YQBIVIWLWXCKDB-UHFFFAOYSA-N
-rxn:4:212568:224817,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1,CRMHZIDRDXYHKE-UHFFFAOYSA-N
-rxn:4:212568:224818,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1,INAJASLJAPEODB-UHFFFAOYSA-N
-rxn:4:212568:224819,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,FEXLVEVIMIIMAG-UHFFFAOYSA-N
-rxn:4:212568:224820,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,BCFHHFKKGSCPJR-UHFFFAOYSA-N
-rxn:4:212568:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,UGTJRYFGXDYPAX-DIVCQZSQSA-N
-rxn:4:212568:224883,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCCCC1,WFQBXPBJHFOYCJ-UHFFFAOYSA-N
-rxn:4:212568:224886,CC1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,WPJLBYDWXIXSKP-UHFFFAOYSA-N
-rxn:4:212568:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HRJYQJRVZRRLHB-UHFFFAOYSA-N
-rxn:4:212568:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WGYTWIJQCBMUJH-UHFFFAOYSA-N
-rxn:4:212568:224971,CN1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,QJZZRDSFSZCLLQ-UHFFFAOYSA-N
-rxn:4:212568:224975,CCN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,HPLNOXOVJOJSSQ-UHFFFAOYSA-N
-rxn:4:212568:224977,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)c(C#N)c2)cc1,XMXPOUYMNQWGLJ-UHFFFAOYSA-N
-rxn:4:212568:224986,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)cc2C#N)cc1,HIQJMQIGVWISEA-UHFFFAOYSA-N
-rxn:4:212568:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SMIFHENVBXSZDM-UHFFFAOYSA-N
-rxn:4:212568:225047,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1N1CCC(C)CC1,HCQVMRABNMMVGP-UHFFFAOYSA-N
-rxn:4:212568:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HBXCEOXOROYBJR-UHFFFAOYSA-N
-rxn:4:212568:225050,CC1CCN(c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,KMUQEOZIUMFBGE-UHFFFAOYSA-N
-rxn:4:212568:225051,CC1CCCN(c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,QGICHCILNNKYKA-UHFFFAOYSA-N
-rxn:4:212568:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VLDURZRCKFGLOO-UHFFFAOYSA-N
-rxn:4:212568:225053,CC1CCCCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,WHWLKOOQSJIOTN-UHFFFAOYSA-N
-rxn:4:212568:225054,CC1CCCCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,BFDZYNKVLYZBCI-UHFFFAOYSA-N
-rxn:4:212568:225055,CC1CCCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(Cl)c2)C1,HSBWZARZLVLVPO-UHFFFAOYSA-N
-rxn:4:212568:225056,CC1CCCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)C1,MHYKGDGEONCHPT-UHFFFAOYSA-N
-rxn:4:212568:225059,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(Cl)c2)CC1,WLWUJTFPUIBSEH-UHFFFAOYSA-N
-rxn:4:212568:225072,CCOC(=O)c1cc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc2s1,ZDZVYDNFMWGGDM-UHFFFAOYSA-N
-rxn:4:212568:225073,CCOC(=O)c1cc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2s1,SAOQXPXNELAXSW-UHFFFAOYSA-N
-rxn:4:212568:225092,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC,BXSIGNHFIBLKPW-UHFFFAOYSA-N
-rxn:4:212568:225093,CCCOc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCC,SJTDHDOVKRZCJD-UHFFFAOYSA-N
-rxn:4:212568:225094,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OCC,DAMBTNFHWILMNR-UHFFFAOYSA-N
-rxn:4:212568:225112,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC(C)C,KQDYAOQPTZVZJP-UHFFFAOYSA-N
-rxn:4:212568:225115,CCOc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(C)C,GDGPGXXTBMGFLD-UHFFFAOYSA-N
-rxn:4:212568:225125,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OCC2CCOC2)cc1,ZLBHVUVFWCCLCU-UHFFFAOYSA-N
-rxn:4:212568:225144,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)cc2C#N)cc1,HHIQSRQZTXYAQR-UHFFFAOYSA-N
-rxn:4:212568:225145,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c(C#N)c2)cc1,MWTZNNJIRYKFSB-UHFFFAOYSA-N
-rxn:4:212568:225155,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,UWPCVEOARIVMOB-UHFFFAOYSA-N
-rxn:4:212568:225157,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCSCC3)c2)cc1,JFVHFCSKWATAIF-UHFFFAOYSA-N
-rxn:4:212568:225167,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCC3)c2)cc1,MXUGSBNIMCSQLN-UHFFFAOYSA-N
-rxn:4:212568:225176,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc1,SJTDYYQVQZSZQF-UHFFFAOYSA-N
-rxn:4:212568:225179,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(Cl)c2CN2CCOCC2)cc1,NARSZPJSEUJJEA-UHFFFAOYSA-N
-rxn:4:212568:225180,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2Cl)cc1,BCPVVWUYSKBZLR-UHFFFAOYSA-N
-rxn:4:212568:225189,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3C(=O)CCC3=O)c2)cc1,BSIWIFGVTVZRPC-UHFFFAOYSA-N
-rxn:4:212568:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AIVZGWZRMJGKLB-UHFFFAOYSA-N
-rxn:4:212568:225193,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3COCCO3)c(C#N)c2)cc1,PTQYHFYDLKAHNE-UHFFFAOYSA-N
-rxn:4:212568:225195,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(OC3CCCCO3)c2)cc1,PIHUSIXKBLELFN-UHFFFAOYSA-N
-rxn:4:212568:225202,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCC3)cc(C(F)(F)F)c2)cc1,MRTMTXAQQNNGHC-UHFFFAOYSA-N
-rxn:4:212568:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IITZDSDDDGDUTR-UHFFFAOYSA-N
-rxn:4:212568:225212,CN1CCN(c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,WFZFXKCXLOUPGJ-UHFFFAOYSA-N
-rxn:4:212568:225213,CN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(Cl)c2)CC1,DVOHQPOKHIAKDA-UHFFFAOYSA-N
-rxn:4:212568:225219,CC1CCCCN1c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,LXZRDNIYNBVPNT-UHFFFAOYSA-N
-rxn:4:212568:225227,CC1CCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,YHJLPVKSJOXZBP-UHFFFAOYSA-N
-rxn:4:212568:225231,CC1CCCCN1c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1Cl,UPJAGAHPSNOLCM-UHFFFAOYSA-N
-rxn:4:212568:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NNIZWPFBQFDOFC-UHFFFAOYSA-N
-rxn:4:212568:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LECWRECKTIKFAV-UHFFFAOYSA-N
-rxn:4:212568:225294,CCN1CCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,WJSPGUDJJVOPCF-UHFFFAOYSA-N
-rxn:4:212568:225295,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,ZZMQVWWWGHBLDN-UHFFFAOYSA-N
-rxn:4:212568:225296,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,ODNVPVXVSHDIGT-UHFFFAOYSA-N
-rxn:4:212568:225297,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1,OOOKUUJTLMXQLX-UHFFFAOYSA-N
-rxn:4:212568:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RGTDMIJHLPSOPQ-UHFFFAOYSA-N
-rxn:4:212568:225318,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1,MSGRXPHAVKJLAI-UHFFFAOYSA-N
-rxn:4:212568:225342,CN(C)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,KNRVIDWJNOWCQM-UHFFFAOYSA-N
-rxn:4:212568:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VBKCOEWJDJSSIR-UHFFFAOYSA-N
-rxn:4:212568:225351,COC(=O)c1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cccc1C(F)(F)F,XAVIOXARLFVYAR-UHFFFAOYSA-N
-rxn:4:212568:225353,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,FJLOAWCEPGDRJD-UHFFFAOYSA-N
-rxn:4:212568:225383,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1,SLOLKJPUNUBJRD-UHFFFAOYSA-N
-rxn:4:212568:225384,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1,JIJVXCXGPXLHAZ-UHFFFAOYSA-N
-rxn:4:212568:225386,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(C(F)(F)F)cc2[N+](=O)[O-])cc1,UHXJFOKXVCALQT-UHFFFAOYSA-N
-rxn:4:212568:225427,CCCCOc1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,QRYPHMOVEIGPTA-UHFFFAOYSA-N
-rxn:4:212568:225430,CCCCOc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,ZILQIVNBQNXZQI-UHFFFAOYSA-N
-rxn:4:212568:225438,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCCC1,UGKLXNOFCCIIBW-UHFFFAOYSA-N
-rxn:4:212568:225462,CC1CCN(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,NMQCAUMWMMSXMR-UHFFFAOYSA-N
-rxn:4:212568:225464,CC1CCCN(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,SNRMERXSRHJKOR-UHFFFAOYSA-N
-rxn:4:212568:225469,CC1CCCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)C1,AWPSRRGMMPNONU-UHFFFAOYSA-N
-rxn:4:212568:225470,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,KQUDKASWUWVKRH-UHFFFAOYSA-N
-rxn:4:212568:225516,CN(C)CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WRPXEWNTFDFRPH-UHFFFAOYSA-N
-rxn:4:212568:225521,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,VKBCBXCNEDWJNG-UHFFFAOYSA-N
-rxn:4:212568:225524,CCCCCOc1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CJRJMPPUPRTEEU-UHFFFAOYSA-N
-rxn:4:212568:225529,CCN(CC)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,QORPKLTWHATUFR-UHFFFAOYSA-N
-rxn:4:212568:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MHJBWYOZUAJKBQ-UHFFFAOYSA-N
-rxn:4:212568:225532,CCN(CC)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,RUAHNZODBGOKCM-UHFFFAOYSA-N
-rxn:4:212568:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,IIOFZXIEBFFMBP-UHFFFAOYSA-N
-rxn:4:212568:225534,CCN(CC)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,GDHJYXOXLAAQCB-UHFFFAOYSA-N
-rxn:4:212568:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GWMUTTJWTRJVEJ-UHFFFAOYSA-N
-rxn:4:212568:225560,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(COC3CCOC3)c2)cc1,JXNLPJBOPRRCPC-UHFFFAOYSA-N
-rxn:4:212568:225563,CC(C)(C)OCc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LCVQMVVFAQZOGS-UHFFFAOYSA-N
-rxn:4:212568:225589,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCSCC3)cc2)cc1,FPNKBIKPNGPWNX-UHFFFAOYSA-N
-rxn:4:212568:225590,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1,ONBJTKNQEXWEBG-UHFFFAOYSA-N
-rxn:4:212568:225598,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3CCSCC3)c2)cc1,XYJMQRGZJHHHJB-UHFFFAOYSA-N
-rxn:4:212568:225611,COc1cc(N2CCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QJLHZOVOEIQNOZ-UHFFFAOYSA-N
-rxn:4:212568:225632,CN1CCN(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,JGEDZISANMHBQX-UHFFFAOYSA-N
-rxn:4:212568:225637,CN1CCN(c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,ZJPPUGNKGKBIQP-UHFFFAOYSA-N
-rxn:4:212568:225654,CC1CCCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)C1,YYVCIHIQKGESEB-UHFFFAOYSA-N
-rxn:4:212568:225657,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1N1CCOCC1,VAASFNJDVJHULK-UHFFFAOYSA-N
-rxn:4:212568:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RVPXEEGIFGUGKQ-UHFFFAOYSA-N
-rxn:4:212568:225664,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)cc2Cl)cc1,RKURYVPEICTRDC-UHFFFAOYSA-N
-rxn:4:212568:225666,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(N3CCCCC3)c2)cc1,XRHGRTCYIZENRV-UHFFFAOYSA-N
-rxn:4:212568:225688,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCCC3)c(Cl)c2)cc1,GNVOZEOIOPLQEC-UHFFFAOYSA-N
-rxn:4:212568:225709,CN(C)CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,MFNMWBKOQLDGBM-UHFFFAOYSA-N
-rxn:4:212568:225710,CCOC(OCC)c1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FQACRBOGLDFMKF-UHFFFAOYSA-N
-rxn:4:212568:225712,CCOC(=O)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,XIDBZHUEBFFYAK-UHFFFAOYSA-N
-rxn:4:212568:225714,CCOCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,ZTFOAEMGKUSCRU-UHFFFAOYSA-N
-rxn:4:212568:225718,COC(COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)OC,NITHAIGNJAIZKN-UHFFFAOYSA-N
-rxn:4:212568:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UYDRNBCHTUGETE-UHFFFAOYSA-N
-rxn:4:212568:225734,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1F,JKFHBTBEODSGHC-UHFFFAOYSA-N
-rxn:4:212568:225735,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OCC,ZAUADVKMGAIMRH-UHFFFAOYSA-N
-rxn:4:212568:225740,CCCOc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,SENYRFQYNACOOK-UHFFFAOYSA-N
-rxn:4:212568:225745,CC(C)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1[N+](=O)[O-],IUZUVWREXWYJGY-UHFFFAOYSA-N
-rxn:4:212568:225750,CCN(CC)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)c1F,VFROACCVBAWIPV-UHFFFAOYSA-N
-rxn:4:212568:225772,COc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(C)C,GHTUZAIBSCQSQE-UHFFFAOYSA-N
-rxn:4:212568:225804,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)cc1,ZJWOLOZQGJKETE-UHFFFAOYSA-N
-rxn:4:212568:225805,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1)N1CCOCC1,YHFARJPAROCJTD-UHFFFAOYSA-N
-rxn:4:212568:225818,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1,ZEOVPMJYPIHSHM-UHFFFAOYSA-N
-rxn:4:212568:225819,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1,PWIAAUOKHCKSSO-UHFFFAOYSA-N
-rxn:4:212568:225822,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2C2CC2)cc1,FUBCLKORQIIRFK-UHFFFAOYSA-N
-rxn:4:212568:225824,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)cc(C(F)(F)F)c2)cc1,GDPVJBPAHZQDDG-UHFFFAOYSA-N
-rxn:4:212568:225831,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1N1CCOCC1,RCRPPOMUDVXOTQ-UHFFFAOYSA-N
-rxn:4:212568:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BPLQVAMZADIUEK-UHFFFAOYSA-N
-rxn:4:212568:225859,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCCC3)c(Cl)c2)cc1,YIPKSSNZQFYNOA-UHFFFAOYSA-N
-rxn:4:212568:225868,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1,AOOUNLUGHJEZMB-UHFFFAOYSA-N
-rxn:4:212568:225869,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1,TYIJDYSLEKDSMU-UHFFFAOYSA-N
-rxn:4:212568:225870,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1,KDKCOHTUJKGLGM-UHFFFAOYSA-N
-rxn:4:212568:225873,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1,WKTDAWOWIFHPRU-UHFFFAOYSA-N
-rxn:4:212568:225874,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1,XZSDXPHUSXASPB-UHFFFAOYSA-N
-rxn:4:212568:225876,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)ccc2N2CCOCC2)cc1,JEXWVFNNXKIWDL-UHFFFAOYSA-N
-rxn:4:212568:225877,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2N2CCOCC2)cc1,VUPFCOWQZMYNTB-UHFFFAOYSA-N
-rxn:4:212568:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,YOINTGWTXNGIFR-UHFFFAOYSA-N
-rxn:4:212568:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,UJGXZPZKHHHRRB-UHFFFAOYSA-N
-rxn:4:212568:225903,CON(C)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,BMIOZRXABFPTRT-UHFFFAOYSA-N
-rxn:4:212568:225918,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1Cl,CBLPPQSDDONABJ-UHFFFAOYSA-N
-rxn:4:212568:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RXXRWXSSNQGOLI-UHFFFAOYSA-N
-rxn:4:212568:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JGTRTWYFIZTWCD-UHFFFAOYSA-N
-rxn:4:212568:225926,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1,ZDEAWYQIEWZQHZ-UHFFFAOYSA-N
-rxn:4:212568:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HJLCGCFCUWZLBH-UHFFFAOYSA-N
-rxn:4:212568:225928,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N(C)C,ZWAWTPVMYWKVPN-UHFFFAOYSA-N
-rxn:4:212568:225929,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1S(=O)(=O)N(C)C,QSGIIFVBZNEWLD-UHFFFAOYSA-N
-rxn:4:212568:225931,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(S(=O)(=O)N(C)C)c1,DCAVPDCGUQQYRW-UHFFFAOYSA-N
-rxn:4:212568:225932,CN(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,VAGCDBGNSCWSGS-UHFFFAOYSA-N
-rxn:4:212568:225975,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2Cl)cc1,FAFITFRUELHQPP-UHFFFAOYSA-N
-rxn:4:212568:225979,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCOCC3)c(Cl)c2)cc1,NYKICYZQRGXNFD-UHFFFAOYSA-N
-rxn:4:212568:225985,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1,QJCCWOWHGVISKO-UHFFFAOYSA-N
-rxn:4:212568:225995,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)ccc2OC(F)(F)F)cc1,ALBVSKXNAIMTRN-UHFFFAOYSA-N
-rxn:4:212568:225997,CCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,KVBGDFWQOWDSAT-UHFFFAOYSA-N
-rxn:4:212568:226000,CC(=O)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1[N+](=O)[O-],AHMKXIAXDWBDDS-UHFFFAOYSA-N
-rxn:4:212568:226002,CC(=O)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1[N+](=O)[O-],YOYXODJKDQBJJI-UHFFFAOYSA-N
-rxn:4:212568:226010,COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BTMMUYSXDDSPCX-UHFFFAOYSA-N
-rxn:4:212568:226027,CN(C)S(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,WKFGLKSYCADVJT-UHFFFAOYSA-N
-rxn:4:212568:226032,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(C(F)(F)F)c1,SBUKMALGXVDGCL-UHFFFAOYSA-N
-rxn:4:212568:226034,COc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,ZVHQVVCPIXVALO-UHFFFAOYSA-N
-rxn:4:212568:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FGKPEQLSSSSCHE-UHFFFAOYSA-N
-rxn:4:212568:226036,COc1c(F)cc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YKFAYYBNEYDBCC-UHFFFAOYSA-N
-rxn:4:212568:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GSNQTFMGSZAIAC-UHFFFAOYSA-N
-rxn:4:212568:226048,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)ccc(F)c2OC(F)(F)F)cc1,HLDUCEZNPJYSSU-UHFFFAOYSA-N
-rxn:4:212568:226054,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1,LLIGMAJLRHNELG-UHFFFAOYSA-N
-rxn:4:212568:226086,CCCCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,IZRUFFKCDLLMJY-UHFFFAOYSA-N
-rxn:4:212568:226087,CCCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,NJMFNGMZALEYFL-UHFFFAOYSA-N
-rxn:4:212568:226096,CC(C)CCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PACWCQGCBXCJSF-UHFFFAOYSA-N
-rxn:4:212568:226100,CCC(C)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,NUUUGKMNGDINMQ-UHFFFAOYSA-N
-rxn:4:212568:226102,CN(Cc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1)C1CC1,CJROIUBXYAUSHY-UHFFFAOYSA-N
-rxn:4:212568:226120,CCCOc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,NZCAZWIKZRIOQS-UHFFFAOYSA-N
-rxn:4:212568:226133,Cc1c(C#N)cc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HNSXAXGEBHVCRV-UHFFFAOYSA-N
-rxn:4:212568:226138,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FBUNIDHJKRBJHX-UHFFFAOYSA-N
-rxn:4:212568:226172,Cc1ccc(N2CCCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JORYGXVWLWISPT-UHFFFAOYSA-N
-rxn:4:212568:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YQIOVCRXWOIQRX-UHFFFAOYSA-N
-rxn:4:212568:226222,CCCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,BTLANNWJGQWKGH-UHFFFAOYSA-N
-rxn:4:212568:226224,CCOCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GWJBOPWJGVUVOW-UHFFFAOYSA-N
-rxn:4:212568:226225,COCCOCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UDYUJTPATVOBMN-UHFFFAOYSA-N
-rxn:4:212568:226227,COCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ZCQSBTIWFOZSJD-UHFFFAOYSA-N
-rxn:4:212568:226228,COCCCOc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QEYXUPVDLBWFFM-UHFFFAOYSA-N
-rxn:4:212568:226229,COCCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,USDGUOPKNFPJLP-UHFFFAOYSA-N
-rxn:4:212568:226233,CN(C)CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,LOSYUMZFVAGWSA-UHFFFAOYSA-N
-rxn:4:212568:226234,CCCOc1ccc(C#N)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OMNFYCGHXSQBTO-UHFFFAOYSA-N
-rxn:4:212568:226239,CCCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DGULKFLBWJNYBX-UHFFFAOYSA-N
-rxn:4:212568:226251,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,GXRKJMPEQKZMEM-UHFFFAOYSA-N
-rxn:4:212568:226252,CCCCOc1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZLXIYPZZXPJAEV-UHFFFAOYSA-N
-rxn:4:212568:226255,CCCCOc1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CENHDTGNAFMFBA-UHFFFAOYSA-N
-rxn:4:212568:226257,CCCCOc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PVYHVZKQVHLGRX-UHFFFAOYSA-N
-rxn:4:212568:226283,CC(C)COc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HTQASKOSSALBSE-UHFFFAOYSA-N
-rxn:4:212568:226285,CC(C)COc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CLJAPONAZPYDPO-UHFFFAOYSA-N
-rxn:4:212568:226287,CC(C)COc1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WZJGAAXLKQXUTI-UHFFFAOYSA-N
-rxn:4:212568:226295,CC(C)OCc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MVAVRCLOEUDXFU-UHFFFAOYSA-N
-rxn:4:212568:226327,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CC3)cc2Cl)cc1,MWCOTFQCSXQKEV-UHFFFAOYSA-N
-rxn:4:212568:226330,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1)N1CCCC1,UTEYVZNAPGRIAP-UHFFFAOYSA-N
-rxn:4:212568:226333,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1,AVXLWVHQWFGYEN-UHFFFAOYSA-N
-rxn:4:212568:226339,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)cc(Cl)c2C2CC2)cc1,ZNLMZTJFPBKRRF-UHFFFAOYSA-N
-rxn:4:212568:226340,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)cc(C3CC3)c2Cl)cc1,IQAACPKQFOCMRF-UHFFFAOYSA-N
-rxn:4:212568:226351,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC(C)C)c1F,DIKVRGNIHKFGBX-UHFFFAOYSA-N
-rxn:4:212568:226352,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)cc1OC(C)C,GJTJGCGSUCGDMM-UHFFFAOYSA-N
-rxn:4:212568:226353,COc1cc(C2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,CMCNQNDNVOUJLF-UHFFFAOYSA-N
-rxn:4:212568:226355,COc1cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,MEDAKJIPSHKWEC-UHFFFAOYSA-N
-rxn:4:212568:226413,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCOCC3)c2)cc1,HPYJLXBYFGIJCS-UHFFFAOYSA-N
-rxn:4:212568:226422,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2N2CCCC2)cc1,RPUUHXLEETWVMT-UHFFFAOYSA-N
-rxn:4:212568:226423,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(N3CCCC3)c2)cc1,WPQNIQKOKSTQLO-UHFFFAOYSA-N
-rxn:4:212568:226424,CC1CCCN(c2csc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,YNFYFDAWGTVTAG-UHFFFAOYSA-N
-rxn:4:212568:226425,CC1CCCCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,GMSCCYDHLYMJRJ-UHFFFAOYSA-N
-rxn:4:212568:226428,CC1CCCCN1c1csc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KHXBWUVKCZYDRK-UHFFFAOYSA-N
-rxn:4:212568:226431,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCC3)c(F)c2)cc1,ZJMZXCGSBHJHRK-UHFFFAOYSA-N
-rxn:4:212568:226449,CC1(c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)OCCO1,NIVXYJVRJIFCBK-UHFFFAOYSA-N
-rxn:4:212568:226464,COc1ccc2c(c1-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)OCCO2,IEOKWWKQDDVGGE-UHFFFAOYSA-N
-rxn:4:212568:226466,CN1C(=O)COc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,YBXVMBHQAQYMDM-UHFFFAOYSA-N
-rxn:4:212568:226483,COCCOc1nc(C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FHSKOXMXYMUZFE-UHFFFAOYSA-N
-rxn:4:212568:226485,COCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,RPPCETSVIJPTAQ-UHFFFAOYSA-N
-rxn:4:212568:226491,COCCOc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZGCOIEAVWMXXMJ-UHFFFAOYSA-N
-rxn:4:212568:226493,COCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,AVFCBJPVEJUZEV-UHFFFAOYSA-N
-rxn:4:212568:226498,CCN(CC)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,GNMQARNVSUTYQH-UHFFFAOYSA-N
-rxn:4:212568:226522,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,WTTPTTPQECUZES-UHFFFAOYSA-N
-rxn:4:212568:226527,CCOC(=O)c1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QXZRNKKOJJPONU-UHFFFAOYSA-N
-rxn:4:212568:226528,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,GCJSPXHBQREJGP-UHFFFAOYSA-N
-rxn:4:212568:226529,CCOC(=O)c1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NHPJTKBFUUWKIS-UHFFFAOYSA-N
-rxn:4:212568:226531,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,XIFGIOBBEUOJBF-UHFFFAOYSA-N
-rxn:4:212568:226537,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,SZBPDCMXRGXBCC-UHFFFAOYSA-N
-rxn:4:212568:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RMVYDPKMQFLKGR-UHFFFAOYSA-N
-rxn:4:212568:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HPHJAVQRHCLTSP-UHFFFAOYSA-N
-rxn:4:212568:226540,CCOC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VGJANRRFXJSLAS-UHFFFAOYSA-N
-rxn:4:212568:226549,CCOc1c(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,ZMQHVKOUZLVQEI-UHFFFAOYSA-N
-rxn:4:212568:226583,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1,PRKQHSPTJIVVTR-UHFFFAOYSA-N
-rxn:4:212568:226609,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1Cl,TVTHAEOBNZKCFE-UHFFFAOYSA-N
-rxn:4:212568:226610,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,LYFNUKFTEAJTQY-UHFFFAOYSA-N
-rxn:4:212568:226644,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(N3CCOCC3)c2)cc1,FKGQDCXVQAYWMX-UHFFFAOYSA-N
-rxn:4:212568:226652,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)n(C2CCCCO2)n1,IFZHJDLATYGTCB-UHFFFAOYSA-N
-rxn:4:212568:226654,CC1CCN(c2nc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cs2)CC1,MQBSTJUUUXGCCD-UHFFFAOYSA-N
-rxn:4:212568:226655,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cnc2N2CCCC2)cc1,OMSZKZJWMQBPKT-UHFFFAOYSA-N
-rxn:4:212568:226659,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCC3)c(Cl)c2)cc1,AOUGSTXTSJTJHN-UHFFFAOYSA-N
-rxn:4:212568:226661,CN1CCN(c2csc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,NSNMKUFPYPAWLR-UHFFFAOYSA-N
-rxn:4:212568:226662,CN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)s2)CC1,NFIZAZCLMALVSF-UHFFFAOYSA-N
-rxn:4:212568:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UWWYUQXLHZZWIF-UHFFFAOYSA-N
-rxn:4:212568:226731,CN(C)S(=O)(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CXBKUDPTIMQXDG-UHFFFAOYSA-N
-rxn:4:212568:226733,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SYAQVIWPCSCCIC-UHFFFAOYSA-N
-rxn:4:212568:226756,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(F)(F)F,VXZUBTLAYWETBB-UHFFFAOYSA-N
-rxn:4:212568:226758,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,PGRLXJRZMYODQA-UHFFFAOYSA-N
-rxn:4:212568:226759,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,HLMQVNWURKMOOS-UHFFFAOYSA-N
-rxn:4:212568:226762,CSc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,YKUPSRHMGVZMCR-UHFFFAOYSA-N
-rxn:4:212568:226768,CSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,ZMONDZJSJVZZJV-UHFFFAOYSA-N
-rxn:4:212568:226776,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1F,UMSOMCOTNIAMRO-UHFFFAOYSA-N
-rxn:4:212568:226779,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1,MNELLEDTDBOOHL-UHFFFAOYSA-N
-rxn:4:212568:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CZWLNWQIKDGCOD-UHFFFAOYSA-N
-rxn:4:212568:226828,Cc1cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,VRVQLBXWRVUODF-UHFFFAOYSA-N
-rxn:4:212568:226830,Cc1cc(Cl)c(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YLTYHCGKFQKXCI-UHFFFAOYSA-N
-rxn:4:212568:226831,CCCn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)n1,JSZFHGFMIDVDFE-UHFFFAOYSA-N
-rxn:4:212568:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IQZQHSUXHAZQKW-UHFFFAOYSA-N
-rxn:4:212568:226841,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C(F)(F)F,RUCRYOMNOXSANL-UHFFFAOYSA-N
-rxn:4:212568:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MYKVFRFCZQWHCN-UHFFFAOYSA-N
-rxn:4:212568:226846,COc1nc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MHHZDOBWJMWCBT-UHFFFAOYSA-N
-rxn:4:212568:226850,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)n1,RZFLLDVRGLLJQE-UHFFFAOYSA-N
-rxn:4:212568:226853,COc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1[N+](=O)[O-],ROJNIDGCLNDTHR-UHFFFAOYSA-N
-rxn:4:212568:226858,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2Cl)cc1,XAUBZZRQJGATFP-UHFFFAOYSA-N
-rxn:4:212568:226860,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)ccc2OC(F)(F)F)cc1,VTAJWBJRKGEQQM-UHFFFAOYSA-N
-rxn:4:212568:226866,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(OC(F)(F)F)c2)cc1,SOVYLWHHQDPSBX-UHFFFAOYSA-N
-rxn:4:212568:226868,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(Cl)c2)cc1,XGOHQQPSQUKYBD-UHFFFAOYSA-N
-rxn:4:212568:226869,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(OC(F)(F)F)c2)cc1,LHUUVPTUXQQXJT-UHFFFAOYSA-N
-rxn:4:212568:226871,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2OC(F)(F)F)cc1,NEDOXUUQPAVXSX-UHFFFAOYSA-N
-rxn:4:212568:226873,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(Cl)c2OC(F)(F)F)cc1,DSBPUGMDSLRLRY-UHFFFAOYSA-N
-rxn:4:212568:226874,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(Cl)cccc2OC(F)(F)F)cc1,OFOIGEWFRNRVDY-UHFFFAOYSA-N
-rxn:4:212568:226876,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2OC(F)(F)F)cc1,RCYCDYKZTKWNNJ-UHFFFAOYSA-N
-rxn:4:212568:226877,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2Cl)cc1,MCYCMYHHDLLLOQ-UHFFFAOYSA-N
-rxn:4:212568:226890,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(C(F)(F)F)cc2Cl)cc1,IMJQUIKAFDYEBJ-UHFFFAOYSA-N
-rxn:4:212568:226901,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,DBTMEFDNZUHWTB-UHFFFAOYSA-N
-rxn:4:212568:226908,CCCCCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HHCKYXGXGUFJFM-UHFFFAOYSA-N
-rxn:4:212568:226946,CN1CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2C1,CBACDJJDQKIGRN-UHFFFAOYSA-N
-rxn:4:212568:226974,CC1(C)OCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,ZLGUAINOEHHUNB-UHFFFAOYSA-N
-rxn:4:212568:226980,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2C(=O)CCC3)cc1,OSIVCWSFXATGBN-UHFFFAOYSA-N
-rxn:4:212568:226981,CCCCCCc1ccsc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NKXHZZDXDOTOJJ-UHFFFAOYSA-N
-rxn:4:212568:226982,CCCCOc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OFZLHJJLKNXDPH-UHFFFAOYSA-N
-rxn:4:212568:226985,CCCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LWYNWUAKNBYIMT-UHFFFAOYSA-N
-rxn:4:212568:226987,CCCCSc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BTBKGDYGQHGVKI-UHFFFAOYSA-N
-rxn:4:212568:226997,CCCOc1cc(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FTIVFPUKJTWEDG-UHFFFAOYSA-N
-rxn:4:212568:227008,CC=CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UGZCHYFCBJDJAE-UHFFFAOYSA-N
-rxn:4:212568:227010,CC(C)OCc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DNDOLEKROSBKJC-UHFFFAOYSA-N
-rxn:4:212568:227012,CC(C)CSc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ACZDIDMIFICYQP-UHFFFAOYSA-N
-rxn:4:212568:227015,CCCOc1ccc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SYSOHCVLZMFYAV-UHFFFAOYSA-N
-rxn:4:212568:227016,C/C=C/COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UGZCHYFCBJDJAE-HQOSRWEFSA-N
-rxn:4:212568:227087,Cc1cnc(C(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GMTWTNUXJAFGDO-UHFFFAOYSA-N
-rxn:4:212568:227106,Cc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,NOTCCWKQCKNHMJ-UHFFFAOYSA-N
-rxn:4:212568:227108,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCC3)ccc2F)cc1,KEMFVPKXGUBDRM-UHFFFAOYSA-N
-rxn:4:212568:227109,Cc1cc(Cl)c(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VSJZLLDRRQJOKQ-UHFFFAOYSA-N
-rxn:4:212568:227110,Cc1cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,CSQBOCLWRHMYBE-UHFFFAOYSA-N
-rxn:4:212568:227111,Cc1cc(C2CC2)cc(Cl)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VAYZKZWZVWSHBO-UHFFFAOYSA-N
-rxn:4:212568:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CXXYSWCKCREIAN-UHFFFAOYSA-N
-rxn:4:212568:227114,Cc1cc(C2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,WTKGCOJFCQPSPZ-UHFFFAOYSA-N
-rxn:4:212568:227116,Cc1c(Cl)cc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MUCVFESZRUUNFE-UHFFFAOYSA-N
-rxn:4:212568:227166,CN1CCOc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,TWIUPICKZXUBAH-UHFFFAOYSA-N
-rxn:4:212568:227185,CN1CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,SBFMMILCNYQLBQ-UHFFFAOYSA-N
-rxn:4:212568:227206,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc2c1COC2=O,LKHDIFPUFOMVTP-UHFFFAOYSA-N
-rxn:4:212568:227207,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2OCCC3=O)cc1,SNVUQKWAAWLDRS-UHFFFAOYSA-N
-rxn:4:212568:227210,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,MVGJQWBEZRGZSU-UHFFFAOYSA-N
-rxn:4:212568:227212,CCCCOc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SMNYJBJIHBHQCS-UHFFFAOYSA-N
-rxn:4:212568:227221,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCCF)c2)cc1,DMQRNCBLYHFWJW-UHFFFAOYSA-N
-rxn:4:212568:227222,CCN(CC)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,QVFVWMCIHYSXAB-UHFFFAOYSA-N
-rxn:4:212568:227223,CCN(CC)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccn1,OOMUHMRWHWJYJF-UHFFFAOYSA-N
-rxn:4:212568:227231,CCCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,DAYLGVICYRSNQK-UHFFFAOYSA-N
-rxn:4:212568:227248,CCCOc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FBWCIBLOUKKGQK-UHFFFAOYSA-N
-rxn:4:212568:227249,CCCOc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QGHPSFSWIVSXOE-UHFFFAOYSA-N
-rxn:4:212568:227250,CCCOc1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZCQFLIIEKUTZIM-UHFFFAOYSA-N
-rxn:4:212568:227251,CCCOc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RDDWKIKCHWQUAN-UHFFFAOYSA-N
-rxn:4:212568:227252,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,RCUHBXSYYJXGET-UHFFFAOYSA-N
-rxn:4:212568:227253,CCCOc1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WPSNAEVPKVPVFB-UHFFFAOYSA-N
-rxn:4:212568:227254,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,SXIXNJXERBQXMG-UHFFFAOYSA-N
-rxn:4:212568:227262,CCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,HVWYNQZUPORNBT-UHFFFAOYSA-N
-rxn:4:212568:227265,CCOCc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SWPILRXRHBIFOB-UHFFFAOYSA-N
-rxn:4:212568:227270,CCOCc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QJPQCBDOTIZCRG-UHFFFAOYSA-N
-rxn:4:212568:227275,CCCOc1c(F)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SLARQSVTDYSGAN-UHFFFAOYSA-N
-rxn:4:212568:227291,CN(C)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,MWDSNKRMXZGNEM-UHFFFAOYSA-N
-rxn:4:212568:227299,CN(C)Cc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XXMVRSAYNBSTHL-UHFFFAOYSA-N
-rxn:4:212568:227310,CCC(C)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,SJJYMCAGCSKJOP-UHFFFAOYSA-N
-rxn:4:212568:227327,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,KYBOZSKBNFZGNY-UHFFFAOYSA-N
-rxn:4:212568:227328,CC(C)Oc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FPHHMKBXXCIBKT-UHFFFAOYSA-N
-rxn:4:212568:227331,CC(C)Oc1cccc(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WCIOWKMKXIYFPZ-UHFFFAOYSA-N
-rxn:4:212568:227332,CC(C)Oc1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VOFKUIDKPXSQSD-UHFFFAOYSA-N
-rxn:4:212568:227333,CC(C)Oc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HOGUGFJELMMDSK-UHFFFAOYSA-N
-rxn:4:212568:227335,CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DIFAUCOMJLCPIL-UHFFFAOYSA-N
-rxn:4:212568:227344,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,GACWFLZUQVDEHX-UHFFFAOYSA-N
-rxn:4:212568:227362,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HXBNYMQBIIDRAT-UHFFFAOYSA-N
-rxn:4:212568:227367,CCOc1cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,RWKMDYDILXYYMQ-UHFFFAOYSA-N
-rxn:4:212568:227387,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1,FRPWQZRTHXTHCS-UHFFFAOYSA-N
-rxn:4:212568:227445,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(Cl)c(C3CCC3)c2)cc1,AICHDWVLQVDSHY-UHFFFAOYSA-N
-rxn:4:212568:227451,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC3(F)F)cc2)cc1,GCBNGIRQPJOESX-UHFFFAOYSA-N
-rxn:4:212568:227473,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CC[N+](=O)[O-])c2)cc1,GAVZLGVYXFSYHQ-UHFFFAOYSA-N
-rxn:4:212568:227474,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CC[N+](=O)[O-])cc2)cc1,FHZHENBCGCUBNE-UHFFFAOYSA-N
-rxn:4:212568:227487,CSCOc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PPBAYDFBVRDYGC-UHFFFAOYSA-N
-rxn:4:212568:227492,COc1ncnc(C2CC2)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WFLYYSMBRLUXCS-UHFFFAOYSA-N
-rxn:4:212568:227500,CCN(C)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,RLBWGCOEUGZGHW-UHFFFAOYSA-N
-rxn:4:212568:227503,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cn1,KONVSBITWYMJPX-UHFFFAOYSA-N
-rxn:4:212568:227505,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1,JDLPTQJYQFYFNE-JVQGUPLVSA-N
-rxn:4:212568:227507,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1,TWEDBESBPASAJI-UHFFFAOYSA-N
-rxn:4:212568:227528,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,YZYXAROOBIKBLX-UHFFFAOYSA-N
-rxn:4:212568:227530,COC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DKPCRTPFKVUTRK-UHFFFAOYSA-N
-rxn:4:212568:227533,COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BEBXWNPPOAMURJ-UHFFFAOYSA-N
-rxn:4:212568:227537,COC(=O)c1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MTEMMBGWMZFQEY-UHFFFAOYSA-N
-rxn:4:212568:227538,COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IEAFORMCRBLYFX-UHFFFAOYSA-N
-rxn:4:212568:227543,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,UNYMXWOBQQVEOL-UHFFFAOYSA-N
-rxn:4:212568:227545,CCOc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,CBMVRFJIFDWTFT-UHFFFAOYSA-N
-rxn:4:212568:227548,CCOc1ccc(F)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BXRYKZRLQZMSOW-UHFFFAOYSA-N
-rxn:4:212568:227559,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(F)F,KRZULGCOBDLQQP-UHFFFAOYSA-N
-rxn:4:212568:227563,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CC(F)(F)F)c2)cc1,WLLPAYMVRPABHJ-UHFFFAOYSA-N
-rxn:4:212568:227570,CCOc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,XBXNNSRCRLOGQG-UHFFFAOYSA-N
-rxn:4:212568:227578,COc1cc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,YVDDLOYKTDBVRP-UHFFFAOYSA-N
-rxn:4:212568:227586,CCOc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,WMFGLTCSNFWVKU-UHFFFAOYSA-N
-rxn:4:212568:227588,COc1cc(F)cc(OC)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FBAAUHDJZUAVPX-UHFFFAOYSA-N
-rxn:4:212568:227589,Cc1cc(OC(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CEHLNUCDGAKGQD-UHFFFAOYSA-N
-rxn:4:212568:227664,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,RYQAXPHVHKYGMQ-UHFFFAOYSA-N
-rxn:4:212568:227680,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1,AGSYMLRYVCPUTN-UHFFFAOYSA-N
-rxn:4:212568:227682,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)cc([N+](=O)[O-])c2)cc1,YGBAWBQQTHQQOU-UHFFFAOYSA-N
-rxn:4:212568:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IRLDSHZLDKIZMC-UHFFFAOYSA-N
-rxn:4:212568:227695,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,VXLUOJQDLZATNS-UHFFFAOYSA-N
-rxn:4:212568:227707,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1,GQQKRLUSETTXOQ-UHFFFAOYSA-N
-rxn:4:212568:227720,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2Cl)cc1,COIQZONTZYSFQC-UHFFFAOYSA-N
-rxn:4:212568:227721,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(OC(F)F)c2)cc1,CKZVZHASHMRTEA-UHFFFAOYSA-N
-rxn:4:212568:227722,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(SC(F)(F)F)c2)cc1,NRWZBEGDVMRNNF-UHFFFAOYSA-N
-rxn:4:212568:227723,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)c(Cl)c2)cc1,DSBYPFGTKLWNOO-UHFFFAOYSA-N
-rxn:4:212568:227734,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)cc1[N+](=O)[O-],TZCUNUWXKVPUJE-UHFFFAOYSA-N
-rxn:4:212568:227737,Cc1cc(C(F)(F)F)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AUYREZBSNMFRAL-UHFFFAOYSA-N
-rxn:4:212568:227741,Cc1nc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZNRVXOHBWUWVQK-UHFFFAOYSA-N
-rxn:4:212568:227748,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1,ACLSTUOYFZVYMC-UHFFFAOYSA-N
-rxn:4:212568:227751,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cc1,GNYLZROZRGTISI-UHFFFAOYSA-N
-rxn:4:212568:227754,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1,WSKYTDOJDWMZPF-UHFFFAOYSA-N
-rxn:4:212568:227760,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)ccc2C(F)(F)F)cc1,PLDPTLLIWHGYLQ-UHFFFAOYSA-N
-rxn:4:212568:227762,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(Cl)c2C(F)(F)F)cc1,FPRVZVSSDSTXJY-UHFFFAOYSA-N
-rxn:4:212568:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LWVXRSMZPHSMGT-UHFFFAOYSA-N
-rxn:4:212568:227774,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)ncc2C(F)(F)F)cc1,SWAWZCLYXZXWMR-UHFFFAOYSA-N
-rxn:4:212568:227777,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(F)cc2[N+](=O)[O-])cc1,FSAKJMJLWNDIGU-UHFFFAOYSA-N
-rxn:4:212568:227778,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(F)c2[N+](=O)[O-])cc1,DQMABUWNBKQXTC-UHFFFAOYSA-N
-rxn:4:212568:227780,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)ccc([N+](=O)[O-])c2F)cc1,CAESUMBCJOGGOU-UHFFFAOYSA-N
-rxn:4:212568:227783,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc([N+](=O)[O-])c(F)cc2F)cc1,IMKLHEONXUYVRW-UHFFFAOYSA-N
-rxn:4:212568:227785,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)nc2C(F)(F)F)cc1,OMESVXJBFQMSSA-UHFFFAOYSA-N
-rxn:4:212568:227786,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(F)c(C(F)(F)F)c2)cc1,WMLLKIOVWFKNCR-UHFFFAOYSA-N
-rxn:4:212568:227787,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1,NLJJXJZKFXFYRP-UHFFFAOYSA-N
-rxn:4:212568:227798,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2F)cc1,WZORYULRYKAHEV-UHFFFAOYSA-N
-rxn:4:212568:227799,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C(F)(F)F)c(F)c2)cc1,YNTPXOSRCDKWCH-UHFFFAOYSA-N
-rxn:4:212568:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RUTHEOOTRCTFRN-UHFFFAOYSA-N
-rxn:4:212568:228091,CCN(CC)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,NOUQRRPXVMBGCI-UHFFFAOYSA-N
-rxn:4:212568:228195,Cc1nn(C(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OVACSFBNSWNAMK-UHFFFAOYSA-N
-rxn:4:212568:228199,Cc1nn(C2CCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PWGUDKVIKZRSTC-UHFFFAOYSA-N
-rxn:4:212568:228210,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCC3)s2)cc1,IAZHXXGKERNDPT-UHFFFAOYSA-N
-rxn:4:212568:228293,CN(C)CCn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,VJDLXJMDXICBMV-UHFFFAOYSA-N
-rxn:4:212568:228297,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,GUPXBKWZNKTUBU-UHFFFAOYSA-N
-rxn:4:212568:228298,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cs1,NVUXRSYVHVJXES-UHFFFAOYSA-N
-rxn:4:212568:228299,CCOC(=O)c1csc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YYWDLFGYRBGEKE-UHFFFAOYSA-N
-rxn:4:212568:228300,CCOC(=O)c1ccsc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HXJUJTDFFISOFM-UHFFFAOYSA-N
-rxn:4:212568:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DWAMJGPPYCTSEP-UHFFFAOYSA-N
-rxn:4:212592:225217,CC1CCCN(c2cc(F)c(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cn2)C1,OYCXYAFNBBUJMB-UHFFFAOYSA-N
-rxn:4:212593:227048,CC(C)C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,XUQHDTRDHVEFSA-UHFFFAOYSA-N
-rxn:4:212644:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)CC1,XPLZNSWYTGVLOF-UHFFFAOYSA-N
-rxn:4:212646:224197,CCN1CCN(Cc2ccc(-c3cnn(C)c3CN(C(=O)OC(C)(C)C)C3CCOCC3)cc2F)CC1,WUPYQGSJWKLTFG-UHFFFAOYSA-N
-rxn:4:212696:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CCC(COc2ccc(C3CC3)nn2)CC1,RCSBQWKBTMRLOU-UHFFFAOYSA-N
-rxn:4:212697:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)Cc3cccc(C)c3)C2)nc1,BESUCAVAWBFBFH-UHFFFAOYSA-N
-rxn:4:212719:225234,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccc(N4CCCCC4)c(F)c3F)cc2)SC1=S,XLIWQDNTMRJURK-UHFFFAOYSA-N
-rxn:4:212736:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,CBXYFFOXOIOWSS-UHFFFAOYSA-N
-rxn:4:212771:225978,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(N4CCOCC4)nc3F)cc2s1,LOGSIQBSIJLFKI-UHFFFAOYSA-N
-rxn:4:212779:224485,COC(=O)CS(=O)(=O)c1nnc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)n1-c1ccc(C2CC2)c2ccccc12,RAXLSCLPIBGLPU-UHFFFAOYSA-N
-rxn:4:212833:225010,Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccccc3-c3ccc(F)c(CN4CCCCC4)c3)nc2c1,ZSTDMJFXWQROLE-UHFFFAOYSA-N
-rxn:4:212839:228216,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cncc(C5CC5)c4Cl)ccn23)CC1,FBAQHNGREBNUDP-UHFFFAOYSA-N
-rxn:4:212909:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(OCC2CCCN(CC(F)(F)F)C2)nc1,WRKVHWDOCMPIQM-UHFFFAOYSA-N
-rxn:4:212938:222607,CCC(=O)N1CCCC(COc2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,MRISKIORCYWJTP-UHFFFAOYSA-N
-rxn:4:212949:224811,N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)o3)CC2)nc1,WRXSKHRWYVLSNI-UHFFFAOYSA-N
-rxn:4:212967:222546,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XKFBSRFSXHFQLZ-UHFFFAOYSA-N
-rxn:4:212967:222584,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DYEOLXOODVKLAV-UHFFFAOYSA-N
-rxn:4:212988:222581,CC(C)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)c2ccccc12,YYCZWJWEKRGHRV-UHFFFAOYSA-N
-rxn:4:213058:222598,Cc1cc(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc(C)c1S(=O)(=O)NC1CCCC1,QUHDBJADNJKOSV-UHFFFAOYSA-N
-rxn:4:213075:223166,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(N4CCNCC4)nc3)n2)CC1,AQCMUJLUYAUKJM-UHFFFAOYSA-N
-rxn:4:213080:226727,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cccc(SCC(F)(F)F)c3)c2)CC1,BONLDRIHTPMRLJ-UHFFFAOYSA-N
-rxn:4:213080:227481,COC(OC)c1cnccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JKRKSHYCADJWDD-UHFFFAOYSA-N
-rxn:4:213097:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,QWNRFZIGXOPEGU-UHFFFAOYSA-N
-rxn:4:213101:222742,O=C(c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1,ZKHIQXYCTDAPRI-UHFFFAOYSA-N
-rxn:4:213104:224702,Cc1c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(F)c(OC2CCCC2)c1F,ANBKWBIZAIULCN-UHFFFAOYSA-N
-rxn:4:213150:227555,CCOc1c(Cl)ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1F,LODBPASFONERNG-UHFFFAOYSA-N
-rxn:4:213151:225619,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3OC3CCCC3)cc(F)c2[N+](=O)[O-])CC1,DEDSNLZJNASAFG-UHFFFAOYSA-N
-rxn:4:213182:224321,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cn3)CC2)cc1,ZCCAUYFSNAYKER-UHFFFAOYSA-N
-rxn:4:213187:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)o2)c1,JUYNOOIQSHAWAO-UHFFFAOYSA-N
-rxn:4:213192:227467,COCCOc1cnccc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCN(C(C)=O)CC2)n1,QGJOKSHIEVHIJO-UHFFFAOYSA-N
-rxn:4:213192:228236,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(F)c3C3CC3)n2)CC1,VAQQABJZJXLJBE-UHFFFAOYSA-N
-rxn:4:213203:224593,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(CN5CCC(C)CC5)c4)cc3)CC2)nn1,UONSNALFOMZMKQ-UHFFFAOYSA-N
-rxn:4:213215:226464,COc1ccc2c(c1-c1cnc(OCC3CCN(CC4CCOCC4)CC3)nc1)OCCO2,ZFNYVKAZHCKFAR-UHFFFAOYSA-N
-rxn:4:213219:222848,CCc1cc(-c2ccc(N3CCN(CC)CC3)nc2C(=O)OC(C)(C)C)cc(C2CCCNC2)n1,FIIDPELIAYOHBV-UHFFFAOYSA-N
-rxn:4:213239:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cncc(C(=O)N2CCN(C(=O)C3CC3c3ccc(F)cc3)CC2)c1,JSCWZSRUMYRSBW-UHFFFAOYSA-N
-rxn:4:213240:223557,COc1ccccc1C1CC(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)=NN1C(=O)c1ccncc1,SCGVQWVNAKOZDX-UHFFFAOYSA-N
-rxn:4:213269:222975,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2C)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,UKNGYOMHXACNEA-UHFFFAOYSA-N
-rxn:4:213274:223828,CCN1CCN(c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCOC(c6ccccc6)C5)n4)cc3)cc(C(F)(F)F)c2)CC1,IDDZFIWHZAURRZ-UHFFFAOYSA-N
-rxn:4:213281:225788,CCc1nnc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)o1,MXLLIHQPTADHHC-UHFFFAOYSA-N
-rxn:4:213289:224429,CC(C)COc1ccc2cc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1,ONIONIQSWQBAIS-UHFFFAOYSA-N
-rxn:4:213355:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C(=O)N4CC(S(=O)(=O)CC(C)C)C4)n(C)nc3c2)cc1,RIDRPRUDGWPBRM-UHFFFAOYSA-N
-rxn:4:213380:226109,CC(C)(C)COc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)cc1,ZYRLXPDGIGUGFR-UHFFFAOYSA-N
-rxn:4:213387:224967,COC(=O)c1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)(C)C)c1,CNNTUFFUPPWHQN-UHFFFAOYSA-N
-rxn:4:213393:223530,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)CC2)c1,LULPIXDURGTNKF-UHFFFAOYSA-N
-rxn:4:213416:225738,CCCCOc1cc(F)c(-c2ccc(-n3c(SCC(=O)N4CCC(C)CC4)nc4c(c3=O)SCC4)cc2)cc1F,XLVNYMDZWVAMAB-UHFFFAOYSA-N
-rxn:4:213444:222584,O=C(Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,IXCREFZSXSMBMA-UHFFFAOYSA-N
-rxn:4:213450:224893,Cc1nc2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,RGPUJCXKIGADHI-UHFFFAOYSA-N
-rxn:4:213572:224377,COc1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C=CN(C)C)c1[N+](=O)[O-],HYAXPAGRPBFBSY-UHFFFAOYSA-N
-rxn:4:213604:222582,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,WHHMGGJWWYYWGT-UHFFFAOYSA-N
-rxn:4:213653:223033,CCCNC(=O)c1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(Cl)c1,WJOXXPLZADUVMG-UHFFFAOYSA-N
-rxn:4:213653:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,LURVNEAQHSJFHO-UHFFFAOYSA-N
-rxn:4:213653:225731,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(OC)c1,RVEMPFHTJSZWAN-UHFFFAOYSA-N
-rxn:4:213653:226720,COC(=O)c1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(OC)cn1,RFIDNLPCXDLXEI-UHFFFAOYSA-N
-rxn:4:213662:222771,CC(=O)N1CCC(COc2ncc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cn2)CC1,MFRJGGRQSCRTHB-UHFFFAOYSA-N
-rxn:4:213680:225165,COc1cc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccc1N1CCOCC1,SGCAYXLBDXCBCM-UHFFFAOYSA-N
-rxn:4:213685:224804,CC(C)Oc1ccc(-c2cnn(CC3CN(CC4CCOC4)C3)c2)cc1OC(F)(F)F,JNSBWBYBHAWWJC-UHFFFAOYSA-N
-rxn:4:213723:222657,CCN1CCN(C(=O)Cc2cncc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)c2)CC1,SJVJNDRHYILZMV-UHFFFAOYSA-N
-rxn:4:213744:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnccc3OC3CCN(c4ccnc(C(F)(F)F)c4)C3)c2)C1,JOJZCCRSINCRGQ-UHFFFAOYSA-N
-rxn:4:213781:222693,Cc1csc(CN2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)CC2)n1,VTZVSWDJJIMCLV-UHFFFAOYSA-N
-rxn:4:213788:224575,CC1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)c3)c(C#N)c2)CC1,LNKGGXXZGNWWDZ-UHFFFAOYSA-N
-rxn:4:213792:223828,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)c4nnn(-c5cccc(C(F)(F)F)c5)c4C)cc3)cc(C(F)(F)F)c2)CC1,RFIYGYGYTGHXNY-UHFFFAOYSA-N
-rxn:4:213799:223046,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(F)c(C(=O)NC4CC4)c3)ncn2)C1,VIGIKHZTIQGMRV-UHFFFAOYSA-N
-rxn:4:213802:222695,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)cc1S(=O)(=O)NC1CCCC1,QKLKRXLPPLXRRY-UHFFFAOYSA-N
-rxn:4:213805:223508,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,CRXVJSWZXJXVQO-UHFFFAOYSA-N
-rxn:4:213832:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WETNUPFVBLBTFK-UHFFFAOYSA-N
-rxn:4:213834:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,WBHRIHUPAFPQJM-UHFFFAOYSA-N
-rxn:4:213835:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)c1,KYOBCQJQZBTFTO-UHFFFAOYSA-N
-rxn:4:213874:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DIPOEFVYUSTUMF-UHFFFAOYSA-N
-rxn:4:213887:222684,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,PCIJJRPEGQFNNQ-UHFFFAOYSA-N
-rxn:4:213897:224349,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)CC1,JPOQBGWVEATTKE-UHFFFAOYSA-N
-rxn:4:213900:224755,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,AKNMLRBHLKQPQS-UHFFFAOYSA-N
-rxn:4:213920:222613,CCCNS(=O)(=O)c1ccc(-c2cccc([N+](=O)[O-])c2N2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1,UXCRAXHCSVOXDH-UHFFFAOYSA-N
-rxn:4:213927:222584,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)nc(C)n1,SWENDVGRZFJCSA-UHFFFAOYSA-N
-rxn:4:213933:225722,CN(C)CCOc1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl,XADBSQUSNJTLHU-UHFFFAOYSA-N
-rxn:4:213937:224742,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(C4OCCO4)c(OC)cc3OC)CC2=O)ccn1,HOYHRAXZDCBHRV-UHFFFAOYSA-N
-rxn:4:213937:225212,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(N4CCN(C)CC4)c3)CC2=O)ccn1,UPGQPEINDQRCQY-UHFFFAOYSA-N
-rxn:4:213938:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)c(F)c2)CC1,BDIZDCAQQNICSA-UHFFFAOYSA-N
-rxn:4:213986:224819,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PPXDJXGPOBLNCP-UHFFFAOYSA-N
-rxn:4:213997:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,JYCIQBJQPDLISY-UHFFFAOYSA-N
-rxn:4:214004:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)c(C(=O)N2CCC(c3ccn(C)n3)CC2)c1,LHYJMQMCAILFKT-UHFFFAOYSA-N
-rxn:4:214011:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc(C2CCCNC2)n1,LRBGSCIUSHDLBZ-UHFFFAOYSA-N
-rxn:4:214024:224122,COc1ccc(CSc2ccc(-c3cnc(OC4CCN(C(=O)C5CCC(F)(F)CC5)CC4)nc3)cc2)cc1,GTZWUJOGHDWWEU-UHFFFAOYSA-N
-rxn:4:214027:228089,CCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OQVUGFWUBACMMX-UHFFFAOYSA-N
-rxn:4:214028:225257,CCOC(=O)COc1cc(F)cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,MVEFZUVHTGYUBE-UHFFFAOYSA-N
-rxn:4:214033:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,VWDAMQMEADHCDP-VTFDQJKESA-N
-rxn:4:214033:227046,Cc1cc(OC(C)C)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,DRVOQQJQOBLDPX-JWQCQUIFSA-N
-rxn:4:214048:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)cc1,AZOXJXSWDAXEQU-UHFFFAOYSA-N
-rxn:4:214054:227596,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCC4)nc3)CC2)C(=O)N1C1CC1,JIXDWDPYKVGLMR-UHFFFAOYSA-N
-rxn:4:214058:226476,CCCCOc1ncc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)cc1Cl,OSMOEQMHXANVFK-UHFFFAOYSA-N
-rxn:4:214070:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c1,QAPOQPBHNVCMBI-UHFFFAOYSA-N
-rxn:4:214074:223184,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VFQAZLWLFCHANU-UHFFFAOYSA-N
-rxn:4:214074:224351,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,FIJRGTZSCLHHCQ-UHFFFAOYSA-N
-rxn:4:214191:224777,CC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)cc32)CC1,QXSYVRHLOIQAJH-UHFFFAOYSA-N
-rxn:4:214230:224672,CCN1CCN(c2ccc(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)c(Cl)c2)CC1,FBXKVJISTGCPGW-UHFFFAOYSA-N
-rxn:4:214231:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3nc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)cc1F,FOADTTXNAJFRKQ-UHFFFAOYSA-N
-rxn:4:214253:222786,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4cc(F)cc(NC(=O)OC(C)(C)C)c4)cc3)nc3ccccn3c2=O)SC1=S,OWTTWPDQEVXDRR-UHFFFAOYSA-N
-rxn:4:214275:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,GUFNQPPMPYEDPN-UHFFFAOYSA-N
-rxn:4:214323:224809,O=C(Cn1ccc2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,PZBBHHNVOPXAHK-UHFFFAOYSA-N
-rxn:4:214342:223569,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)CC2)c2ccccc2n1,UDWNOONVQPQVMR-UHFFFAOYSA-N
-rxn:4:214362:224679,CCn1cc(-c2nc(-c3ccc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,BELKPSSVNBLRMM-UHFFFAOYSA-N
-rxn:4:214609:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCC(C#N)CC3)c2)CC1,TXJFBCIBHIQSBL-UHFFFAOYSA-N
-rxn:4:214679:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCC(C(F)(F)F)CC2)n1,BZQWEXBVZFOXLN-UHFFFAOYSA-N
-rxn:4:214710:223569,CCN1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)CC1,QIZYQKDNVAAWDO-UHFFFAOYSA-N
-rxn:4:214711:224459,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cn2)CC1,ANVYRPUXGOCJDN-UHFFFAOYSA-N
-rxn:4:214711:224766,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cn2)CC1,WUOBXAULZUAYBM-UHFFFAOYSA-N
-rxn:4:214722:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4nccs4)CC3)c2)CC1,LSZCAVDZMJPUMA-UHFFFAOYSA-N
-rxn:4:214741:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)cc1,LBCMBJRXTHFPKG-UHFFFAOYSA-N
-rxn:4:214741:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cn3)cc2F)CC1,VBKULVMUZBKQOF-UHFFFAOYSA-N
-rxn:4:214743:224198,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(F)c2)CC1,IOIAHQIKQGBHRY-UHFFFAOYSA-N
-rxn:4:214754:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(c4ccn(C)n4)CC3)o2)CC1,CPKFTQNBNDMBPQ-UHFFFAOYSA-N
-rxn:4:214755:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(c4cncn4C)CC3)o2)CC1,UZOPDVBYGDBCTL-UHFFFAOYSA-N
-rxn:4:214758:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C(=O)N3CCCC3)cc(-c3cnn(C)c3)c2)CC1,IFZSNQSUDIWZKE-UHFFFAOYSA-N
-rxn:4:214765:223743,Cc1ccc(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])cc1OCCCN1CCC(C)CC1,QRAVAUSOJNBHSL-UHFFFAOYSA-N
-rxn:4:214781:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,XMJLQDMXJKUQCQ-UHFFFAOYSA-N
-rxn:4:214781:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,PWODFTQULZFUOC-UHFFFAOYSA-N
-rxn:4:214782:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,SOEVRXZHSUTRTJ-UHFFFAOYSA-N
-rxn:4:214782:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,SAHWHLMTEVJALW-UHFFFAOYSA-N
-rxn:4:214805:223605,O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,ATXOHOUWJBOVFF-UHFFFAOYSA-N
-rxn:4:214817:223845,Cc1nc(CN2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)cs1,HTOJTVHNFHPMAT-UHFFFAOYSA-N
-rxn:4:214818:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,KFYYCXFMYTXIDU-UHFFFAOYSA-N
-rxn:4:214820:225567,Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)ccc1C(=O)OC(C)C,WKSDLFASIBXHOB-UHFFFAOYSA-N
-rxn:4:214828:223841,Cc1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,OKLQHVKHZCKYES-UHFFFAOYSA-N
-rxn:4:214828:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,AJWLAPCSWRXPTJ-UHFFFAOYSA-N
-rxn:4:214828:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,ZNLJRFISEMLPKT-UHFFFAOYSA-N
-rxn:4:214833:223842,COc1cccc(N2CCN(c3ccncc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)CC2)c1,VBALBHRVJMOXGS-UHFFFAOYSA-N
-rxn:4:214833:223845,COc1cccc(N2CCN(c3ccncc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)CC2)c1,SKUDEPBGRMAJLE-UHFFFAOYSA-N
-rxn:4:214834:223842,COc1cccc(N2CCN(c3ncccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)CC2)c1,YKPUHKQVCKEBQE-UHFFFAOYSA-N
-rxn:4:214834:223845,COc1cccc(N2CCN(c3ncccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)CC2)c1,CNWZIQNUZBNKHN-UHFFFAOYSA-N
-rxn:4:214835:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,SIHILCAOPCAZPU-UHFFFAOYSA-N
-rxn:4:214835:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,OHJUCFRUWTZJHI-UHFFFAOYSA-N
-rxn:4:214835:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,GIGBYGKAKDNKLV-UHFFFAOYSA-N
-rxn:4:214836:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,GZDURNQYNZJQRK-UHFFFAOYSA-N
-rxn:4:214864:223841,Cc1cc(F)c(-c2cnc(N3CCN(Cc4ccccc4)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,PVDVLQGWWIYXNF-UHFFFAOYSA-N
-rxn:4:214865:223024,CCCNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,QARGAGJEUOWMFV-UHFFFAOYSA-N
-rxn:4:214868:223123,CC(C)C(=O)Nc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,XSBMLGGPCPSQAN-UHFFFAOYSA-N
-rxn:4:214880:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,JFPHXQIXSQNAOB-UHFFFAOYSA-N
-rxn:4:214882:224339,O=C(C1CCN(c2ccc(-c3ccnc(-c4cccc(C(F)(F)F)c4)c3)cn2)CC1)N1CCC(F)(F)CC1,QZFUJNBZGSENPW-UHFFFAOYSA-N
-rxn:4:214890:222648,Cc1cc(C)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1NC(=O)OC(C)(C)C,QESGFKGLUJYTIF-UHFFFAOYSA-N
-rxn:4:215054:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,FSVVNGYGCRBNHS-UHFFFAOYSA-N
-rxn:4:215085:222621,Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1-c1cc(CC(C)C)nc(C2CCCNC2)c1,FIFWSLLLBVKNCW-UHFFFAOYSA-N
-rxn:4:215099:224022,C[C@@H]1Cn2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2CN1C(=O)OC(C)(C)C,BWUJNZNZHJHBQZ-DKODJIDWSA-N
-rxn:4:215103:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1,BKMMBCXPLKBASB-UHFFFAOYSA-N
-rxn:4:215108:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)cc1,ATASRQWLRUURFG-UHFFFAOYSA-N
-rxn:4:215119:223588,Cc1cc(-c2ccc(Cl)c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KCPVBAYYQDVHIK-UHFFFAOYSA-N
-rxn:4:215132:222514,COc1ccc(-c2ccc3nc(N4CCN(C(=O)c5ccco5)CC4)sc3c2)cc1S(=O)(=O)NC1CCCCC1,OLRVVRIJJIIALX-UHFFFAOYSA-N
-rxn:4:215141:222655,CCN1CCN(C(=O)c2cc3cc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)ccc3[nH]2)CC1,HMBAZQRAXPEKIQ-UHFFFAOYSA-N
-rxn:4:215148:224863,CC(C)N(Cc1ccccc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2)C(C)C,KBEZPEYSPHHZPM-UHFFFAOYSA-N
-rxn:4:215188:224194,CCN1CCN(Cc2ccc(-c3ccc(N4C(=O)N(c5ccc([N+](=O)[O-])cc5)C5CS(=O)(=O)CC54)cc3)cc2Cl)CC1,QSQPRMWMCOWODG-UHFFFAOYSA-N
-rxn:4:215239:225309,O=C1C2ON(c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4Cl)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,WZUFNFZTHICIKD-UHFFFAOYSA-N
-rxn:4:215295:227007,CC(C)OCc1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,QTGMRWPLLHKTKE-UHFFFAOYSA-N
-rxn:4:215372:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(Cl)cnc2C2(C(F)(F)F)N=N2)CC1,NQENJUKJGZRPFF-UHFFFAOYSA-N
-rxn:4:215780:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)cc2)CC1,CGUMUIWAZKFOIA-UHFFFAOYSA-N
-rxn:4:215867:224325,CN1CCN(C(=O)c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2Cl)CC1,XKHRNGBTECFLBB-UHFFFAOYSA-N
-rxn:4:215896:223595,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,QQCBBDLGODRBNR-UHFFFAOYSA-N
-rxn:4:215898:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1,KPHZTQMVVBTDRN-UHFFFAOYSA-N
-rxn:4:215898:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cn2)CC1,LUPWHAVFPFFNBH-UHFFFAOYSA-N
-rxn:4:215914:222828,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)NC1CC1,KWKPXAQXDVHCSE-UHFFFAOYSA-N
-rxn:4:215940:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,GQSWBLZSUMVBGU-UHFFFAOYSA-N
-rxn:4:215942:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,ZLEWUQOVIKVFJR-UHFFFAOYSA-N
-rxn:4:215961:224819,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,AHVNEFONXSLHAP-UHFFFAOYSA-N
-rxn:4:216252:223662,CC(=O)N1CCc2c(c(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])nn2C2CCOCC2)C1,GHFDPDJAUITBLM-UHFFFAOYSA-N
-rxn:4:216290:223828,CCN1CCN(c2cc(-c3ccc(C(=O)N4CCc5nc6ccc(Cl)cn6c(=O)c5C4)o3)cc(C(F)(F)F)c2)CC1,RRIFALZZALRBMB-UHFFFAOYSA-N
-rxn:4:216319:225631,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4)ccc3S2(=O)=O)n1,BQOIVYOIRGGJBF-UHFFFAOYSA-N
-rxn:4:216579:223541,Cn1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1S(N)(=O)=O,DYLJBARKUFWQOL-UHFFFAOYSA-N
-rxn:4:217906:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,XHBHUAUGKXNCGP-UHFFFAOYSA-N
-rxn:4:218590:222540,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,PUJONFKNFHRMNA-UHFFFAOYSA-N
-rxn:4:218590:223844,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)C1,DUGVBLMVCWZIRE-UHFFFAOYSA-N
-rxn:4:218603:223933,CC(C)(C)OC(=O)n1c(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cc2cc(F)ccc21,MAFSTBZRRKOGBS-UHFFFAOYSA-N
-rxn:4:218640:222876,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3ccc(C(=O)NC(C)(C)C)c(F)c3)cn2)C1,PLENZHOIYWLDDK-UHFFFAOYSA-N
-rxn:4:218665:225977,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)c1,BEVAFXPMMNTGGC-UHFFFAOYSA-N
-rxn:4:218686:222875,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(C(=O)NC(C)(C)C)ccc3F)CC2)CC1,LQEQPQZNFGUUFA-UHFFFAOYSA-N
-rxn:4:218710:222556,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5ccccc5OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GOIWTOKBNHIMOC-UHFFFAOYSA-N
-rxn:4:218710:223476,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CIMXYUUOBKIIHZ-UHFFFAOYSA-N
-rxn:4:218710:226173,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QDLQUHDVFYXYTJ-UHFFFAOYSA-N
-rxn:4:218710:226375,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5nccn5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UKDCFYNBANYKDJ-UHFFFAOYSA-N
-rxn:4:218711:226623,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cccnc4)nc3)CC2)CC1,KJQNDYYEMKBAEG-UHFFFAOYSA-N
-rxn:4:218768:223027,CCCNC(=O)c1cc(F)cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1,GLGGQODHRGCPMP-UHFFFAOYSA-N
-rxn:4:218848:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(C(=O)c5cc(C6CC6)on5)C4)nc3)c2)CC1,UOEVOIZOZGTJLB-UHFFFAOYSA-N
-rxn:4:218856:222706,N#Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)c3)CC2)nc1,RADHRAFMURMJLG-UHFFFAOYSA-N
-rxn:4:218867:225685,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(C4CCCCC4)c3)c2)no1,RHPQXQBOZDOUOL-UHFFFAOYSA-N
-rxn:4:218867:225833,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2)no1,WPUBPPVZUPQCMV-UHFFFAOYSA-N
-rxn:4:218867:226056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3c4c(cc5c3CCC5)CCC4)c2)no1,PUKZDSUDMNLAQJ-UHFFFAOYSA-N
-rxn:4:218867:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3)c2)no1,MTPFFHFKBYQNPU-UHFFFAOYSA-N
-rxn:4:218867:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CCCCC4)cs3)c2)no1,ODTPDFODELMCIQ-UHFFFAOYSA-N
-rxn:4:218867:227386,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCCCC4)c3)c2)no1,COXOBCDPGCPUHP-UHFFFAOYSA-N
-rxn:4:218868:225798,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2)no1,HODGTZQWBLYXBL-UHFFFAOYSA-N
-rxn:4:218877:223927,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2cccnc21,WTAQXFUJFURMAU-UHFFFAOYSA-N
-rxn:4:218892:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc(C)nn5)C4)c3)c2)CC1,QJMKYJVOHLJGLG-UHFFFAOYSA-N
-rxn:4:218945:228293,CN(C)CCn1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,QPYCFMJXTZGGHV-UHFFFAOYSA-N
-rxn:4:218948:225976,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccnc(N4CCOCC4)c3F)cn2)CC1,IGYPEVJIQBFQEP-UHFFFAOYSA-N
-rxn:4:218964:228974,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,YYDBDDVHARFHSR-UHFFFAOYSA-N
-rxn:4:218970:222858,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN(C)C)c3)cn2)C1,SHRRRZVXUSAPSY-UHFFFAOYSA-N
-rxn:4:219061:226356,COc1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)cc1C1CC1,HVKBJWBQCHDOQL-UHFFFAOYSA-N
-rxn:4:219108:223539,COc1ccc(-c2ccc(OC3CCN(C(=O)Cn4cnc5ccccc54)C3)nc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LQYVPIVEJJPFGS-UHFFFAOYSA-N
-rxn:4:219182:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,PACKUBMIVXVBHL-UHFFFAOYSA-N
-rxn:4:219207:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)c2)CC1,GNZSXWRSHHQKNC-UHFFFAOYSA-N
-rxn:4:219221:223541,CC(C)(C)C(=O)Cn1nc([N+](=O)[O-])nc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,HTNDOZUFLFDBHM-UHFFFAOYSA-N
-rxn:4:219247:223838,Cc1ncsc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,ACTCLRQXISKHTN-UHFFFAOYSA-N
-rxn:4:219354:225364,Cc1cc(F)c(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)cc1S(=O)(=O)N(C)C,NPLZBFICGQBMRZ-UHFFFAOYSA-N
-rxn:4:219381:222723,CSc1ncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,QYBKSYSFGSYEEC-UHFFFAOYSA-N
-rxn:4:219406:225310,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)n2)CC1,JXICPNDOHRZEJC-UHFFFAOYSA-N
-rxn:4:219435:224307,Cc1cc(C)c(C#N)c(N2CCC(Oc3ccncc3-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)C2)n1,IDDIGKVLVDQVAJ-UHFFFAOYSA-N
-rxn:4:219451:223901,CC1CCN(CCOc2ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)cc2Cl)CC1,BVOKXFLXQUNVIC-UHFFFAOYSA-N
-rxn:4:219497:225059,CC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)c(Cl)c2)CC1,BDMGNBMZJXXEJI-UHFFFAOYSA-N
-rxn:4:219499:224068,CC(C)(C)c1ccc(-c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C#N)c3)ccn2)cc1,RNKBPOXXVADJNF-UHFFFAOYSA-N
-rxn:4:219501:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,VJTFNMRIQTWTNR-UHFFFAOYSA-N
-rxn:4:219533:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DDFDVEHPCUMTHH-UHFFFAOYSA-N
-rxn:4:219535:225454,CN1CC=C(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cc2)CC1,XKKIOCXSZJSZHN-UHFFFAOYSA-N
-rxn:4:219536:224597,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cc(C5CC5)cc(N5CCOCC5)c4)o3)CC2)cn1C,UGDGYRAYDYNOEW-UHFFFAOYSA-N
-rxn:4:219536:226330,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(C(C)N5CCCC5)s4)o3)CC2)cn1C,KAIVKKAJQKJKFP-UHFFFAOYSA-N
-rxn:4:219552:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,ZIIRTMNIQFILNS-UHFFFAOYSA-N
-rxn:4:219552:228440,COc1cc(Cl)c(F)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,KLHKBAOBVBLRMG-UHFFFAOYSA-N
-rxn:4:219553:223767,Cn1nc(C2CCN(C(=O)c3cc(-c4cc5ccc(C#N)cc5n4C(=O)OC(C)(C)C)ccc3Cl)CC2)n(C2CC2)c1=O,JJLZEEHQDJCLRE-UHFFFAOYSA-N
-rxn:4:219559:224399,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)o2)CC1,PGAWLGXBBBIMNW-UHFFFAOYSA-N
-rxn:4:219560:222614,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)CC2)cn1C,QUCHZMIWSJBULN-UHFFFAOYSA-N
-rxn:4:219630:224865,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(CCN5CCCCC5)cc4)cc23)CC1,WTMVALALQJGBSG-UHFFFAOYSA-N
-rxn:4:219638:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,SXGJVVCWLGSCMF-UHFFFAOYSA-N
-rxn:4:219649:225206,COc1ccc(-c2cc(C(F)(F)F)c(C)cc2C2CC2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,WGUSUQGGJCVDBX-UHFFFAOYSA-N
-rxn:4:219654:222887,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cccc(C(=O)N5CCNCC5)c4)cc23)CC1,ODELPZROVZAMFL-UHFFFAOYSA-N
-rxn:4:219717:224322,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)cc5)cc4)CC3C2)n1,DGMMFTYIOQYMSF-UHFFFAOYSA-N
-rxn:4:219719:222514,COc1ccc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCC5)cccn4c3=O)c2)cc1S(=O)(=O)NC1CCCCC1,INBYMOVTDOTSHP-UHFFFAOYSA-N
-rxn:4:219849:223539,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(n3nccn3)C2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,SYTXDNAQDBOBBV-UHFFFAOYSA-N
-rxn:4:219934:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c1,AHUSCYLEFHMSSK-UHFFFAOYSA-N
-rxn:4:219959:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1OCC,UUYJESFNTZYCPH-UHFFFAOYSA-N
-rxn:4:220133:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)cc1S(=O)(=O)NC1CCCC1,RQDMSPHGLHXEEO-UHFFFAOYSA-N
-rxn:4:220136:222522,COc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCC(O)CC1,BEGBBVQGQSWJTH-UHFFFAOYSA-N
-rxn:4:220136:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1,SSUSGWAWIQSQMC-UHFFFAOYSA-N
-rxn:4:220137:222522,COc1ccc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc1S(=O)(=O)N1CCC(O)CC1,NMXVBPTXYJKTSY-UHFFFAOYSA-N
-rxn:4:220141:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc2c(C(=O)N3CCC(N4C(=O)CSC4=O)C3)n(C)nc2c1,KSEHFBBIMHJTLE-UHFFFAOYSA-N
-rxn:4:220156:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(C2Cn3nnc(C(=O)N4CCSCC4)c3CO2)cc1,HUCZWDKIPSQJFK-UHFFFAOYSA-N
-rxn:4:220164:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCC(c5nnc6ccccn56)CC4)cc3)cc2)C1,CHKIRYMPNLPYBC-UHFFFAOYSA-N
-rxn:4:220207:223569,Cc1cc(N2CCN(C(=O)c3cncc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3)CC2)nc2ccccc12,HQFQLTSNLZXFSU-UHFFFAOYSA-N
-rxn:4:220222:224740,Cc1ccc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,JWIMDUTWXWTPNI-UHFFFAOYSA-N
-rxn:4:220404:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(C(=O)N2CCN(C)CC2)cnn1C,HPTIJXDIUICGBJ-UHFFFAOYSA-N
-rxn:4:220404:224325,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,ZMSWUTGYHIOLGE-UHFFFAOYSA-N
-rxn:4:220426:222941,CONS(=O)(=O)c1c(C)cc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc1C,XIABJYXMRUAQDM-UHFFFAOYSA-N
-rxn:4:220430:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(F)c2)CC1,DBQWZAKVJRIFPN-UHFFFAOYSA-N
-rxn:4:220518:222520,CCN1CCN(c2cnc3ccc(-c4ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c4)cc3n2)CC1,HDKVCWHDRLLECR-UHFFFAOYSA-N
-rxn:4:220545:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2[N+](=O)[O-])CC1,USYBWHKIBBKIDG-UHFFFAOYSA-N
-rxn:4:221094:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,SDMGYHXXDDFGBG-UHFFFAOYSA-N
-rxn:4:221111:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)c2)n1,SKKPSROIQQPKEL-UHFFFAOYSA-N
-rxn:4:221111:227576,CCOc1c(Cl)cc(F)cc1-c1cccc(N2CC(C(=O)N3CCN(CCn4ccnc4)CC3)CC2=O)c1,INHGVSSDASPNHU-UHFFFAOYSA-N
-rxn:4:221151:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)c4cnccn4)C3)nc2)c1,JYHLJMLQNJGCCL-UHFFFAOYSA-N
-rxn:4:221152:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,SDASDIANFGSDNC-UHFFFAOYSA-N
-rxn:4:221175:228775,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4)cn3)C2)C(=O)C1=O,ISVPNFNQIDTOPU-UHFFFAOYSA-N
-rxn:4:221180:224941,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(CCN5CCOCC5)cc4)cn3)CC2)nn1C,XALJEPWVGNZIBG-UHFFFAOYSA-N
-rxn:4:221181:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)nn1C,JZCNLYNHYODXGG-UHFFFAOYSA-N
-rxn:4:221230:223673,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(COc5cc(C(F)(F)F)ccc5Cl)c4)cn3)C1)CCC2,MACHAWKOHUMSMM-UHFFFAOYSA-N
-rxn:4:221350:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(S(=O)(=O)N4CC(c5nc(-c6ncccn6)no5)C4)cc3)c2)CC1,GVSJXODNFMIFFE-UHFFFAOYSA-N
-rxn:4:221351:222522,COc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,XGEPYRORKXLCEQ-UHFFFAOYSA-N
-rxn:4:221375:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)c2)CC1,NNHBLFXLDWOEPV-UHFFFAOYSA-N
-rxn:4:221394:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc21,OMYLPZGFEJTKLY-UHFFFAOYSA-N
-rxn:4:221420:224061,CCCC1CCC(c2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c(F)c2)CC1,MITNFPPVJSIYJX-UHFFFAOYSA-N
-rxn:4:221421:223045,CC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,WDAFAYPUFCDHOX-UHFFFAOYSA-N
-rxn:4:221422:227206,Cc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc2c1COC2=O,COGPLKODEXBMHC-UHFFFAOYSA-N
-rxn:4:221424:222962,CCCCNC(=O)c1ccc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1,PHYONCPVQCEMME-UHFFFAOYSA-N
-rxn:4:221431:226475,CCOc1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c(OCC)n1,NXLZPOPUVYNBMK-UHFFFAOYSA-N
-rxn:4:221438:224276,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cn(C(=O)OC(C)(C)C)c5cccnc45)o3)CC2)nn1,DYRCLSDOPIDELO-UHFFFAOYSA-N
-rxn:4:221439:227206,Cc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc2c1COC2=O,ZKDZTABWUXWRKS-UHFFFAOYSA-N
-rxn:4:221440:227183,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CN(C)C5=O)cc3)CC2)n1,XYVZNBRWHUYEDZ-UHFFFAOYSA-N
-rxn:4:221440:227185,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2)n1,UWNDPPDNRFDABH-UHFFFAOYSA-N
-rxn:4:221440:227197,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5)cc3)CC2)n1,FQWZOEHTVDGJBP-UHFFFAOYSA-N
-rxn:4:221440:227259,COc1ccc(CSC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,GFCRUULVSHSFLZ-UHFFFAOYSA-N
-rxn:4:221440:227499,CCN(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cnc1Cl,JAEVJSISLXWJFZ-UHFFFAOYSA-N
-rxn:4:221440:227523,COC(=O)c1cnc(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,MQKWXLKHJMDHOT-UHFFFAOYSA-N
-rxn:4:221440:227525,CCc1cnc(C(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,GIARLOSPHZZQDY-UHFFFAOYSA-N
-rxn:4:221440:227530,COC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,RVNOEGYFHUBXJB-UHFFFAOYSA-N
-rxn:4:221440:227531,COC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,RZKXPILUPPWHOV-UHFFFAOYSA-N
-rxn:4:221440:227533,COC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,KSDGABSXUCSGKA-UHFFFAOYSA-N
-rxn:4:221440:227534,CCOc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(F)c1,JTQIGISFHUNZAT-UHFFFAOYSA-N
-rxn:4:221440:227535,CCOc1cc(F)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,XSHKEXZXLUSULO-UHFFFAOYSA-N
-rxn:4:221440:227537,COC(=O)c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,NYGINFKUWQRKBS-UHFFFAOYSA-N
-rxn:4:221440:227538,COC(=O)c1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,MYJCHCOWXIRCRJ-UHFFFAOYSA-N
-rxn:4:221440:227539,COc1cc(Cl)cc(OC)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,LEUFODIHRTYAEM-UHFFFAOYSA-N
-rxn:4:221440:227540,COc1c(F)cc(SC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,GLCVLDAGSRUYOQ-UHFFFAOYSA-N
-rxn:4:221440:227542,COC(=O)c1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,AXJDQWGZHAKHTF-UHFFFAOYSA-N
-rxn:4:221440:227544,COC(=O)c1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,AHQYUFCAUZVEIH-UHFFFAOYSA-N
-rxn:4:221440:227588,COc1cc(F)cc(OC)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,LUNWQXOAUAXFKM-UHFFFAOYSA-N
-rxn:4:221449:223285,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)CC2)n1,SHKHKDMTTGUOJA-UHFFFAOYSA-N
-rxn:4:221449:228204,Cc1cc(C#N)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,QMUPRTKVEQQEOM-UHFFFAOYSA-N
-rxn:4:221449:228207,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cnc4F)cc3)CC2)n1,DWAZQSMTRPZYEY-UHFFFAOYSA-N
-rxn:4:221449:228236,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(F)c4C4CC4)cc3)CC2)n1,XXLCLHUNPYWTFN-UHFFFAOYSA-N
-rxn:4:221450:224319,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,JVIOWMBQQOZUNL-UHFFFAOYSA-N
-rxn:4:221451:222442,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)CC2)n1,VFEVKFFYUALBGS-UHFFFAOYSA-N
-rxn:4:221451:227530,COC(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,HHLGTBPDJCOHDP-UHFFFAOYSA-N
-rxn:4:221451:227533,COC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,ZIRXFERRYUGCHD-UHFFFAOYSA-N
-rxn:4:221452:227183,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc5c(c4)CN(C)C5=O)c3)CC2)n1,WACOSHXZYYSBCD-UHFFFAOYSA-N
-rxn:4:221452:227187,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cccc5c4CN(C)C5=O)c3)CC2)n1,MOKMKODQYDSUCD-UHFFFAOYSA-N
-rxn:4:221452:227529,COC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c(F)c1,NXOANBIZKXCSHT-UHFFFAOYSA-N
-rxn:4:221452:227531,COC(=O)c1cc(F)cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,DTPBXFCHQWTQSV-UHFFFAOYSA-N
-rxn:4:221452:227537,COC(=O)c1cc(Cl)cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,LEQNGDGOQCOMOO-UHFFFAOYSA-N
-rxn:4:221452:227538,COC(=O)c1ccc(Cl)cc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,NEHPODZWPWKSQX-UHFFFAOYSA-N
-rxn:4:221452:227554,COC(=O)c1c(F)cccc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,FADAGJHKWNMNMD-UHFFFAOYSA-N
-rxn:4:221453:223123,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(NC(=O)C(C)C)cc4)cc3)CC2)n1,SUWUAXKCSWDFTQ-UHFFFAOYSA-N
-rxn:4:221453:223199,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C5CCNC5)c4)cc3)CC2)n1,YYJFUIURRSTIHQ-UHFFFAOYSA-N
-rxn:4:221453:223486,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(C)cc(N(Cc5ccccc5)Cc5ccccc5)cc4C)cc3)CC2)n1,XSZJNRPUQFRJAM-UHFFFAOYSA-N
-rxn:4:221453:223588,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,KTBCLXXHACQWAB-UHFFFAOYSA-N
-rxn:4:221453:223737,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)cc3)CC2)n1,WRORHDDTIKFMOF-UHFFFAOYSA-N
-rxn:4:221453:223801,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cc3)CC2)n1,HPSUIRIXSVUQBN-UHFFFAOYSA-N
-rxn:4:221453:223869,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1OCc1ccccc1,GWLAHRFLPHBZTH-UHFFFAOYSA-N
-rxn:4:221453:223901,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,DSXYLKKWXBEBGF-UHFFFAOYSA-N
-rxn:4:221453:223970,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,DQLIBEISENJOOB-UHFFFAOYSA-N
-rxn:4:221453:224012,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(-c5ccccc5C(F)(F)F)nc4Cl)cc3)CC2)n1,FVMLXWUOSIHXBV-UHFFFAOYSA-N
-rxn:4:221453:225035,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)ccc4OC4CCCCC4)cc3)CC2)n1,QYNKFMSEEZKGCU-UHFFFAOYSA-N
-rxn:4:221453:225098,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCCC5)nc4)cc3)CC2)n1,HLCRPQHLKQQHSY-UHFFFAOYSA-N
-rxn:4:221453:225284,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(CC(C)C)c4)cc3)CC2)n1,XNZMXTZSHIXYFF-UHFFFAOYSA-N
-rxn:4:221453:225330,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C(=O)OC)n1,QFHIGCNGNLHKLD-UHFFFAOYSA-N
-rxn:4:221453:225754,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C2CC2)cn1,DMPGJMCANDXDBG-UHFFFAOYSA-N
-rxn:4:221453:225755,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C2CC2)n1,QAOCSVLXAZDHBG-UHFFFAOYSA-N
-rxn:4:221453:226061,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C(C)C)cc(C5CC5)c4)cc3)CC2)n1,GNMZSOZYOQWEKQ-UHFFFAOYSA-N
-rxn:4:221453:227060,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(OC(C)C)c4)cc3)CC2)n1,XEEOYKHNTVIAQQ-UHFFFAOYSA-N
-rxn:4:221453:227277,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N(C)C)c(C#N)c4)cc3)CC2)n1,YEKOQIKHVYDLSQ-UHFFFAOYSA-N
-rxn:4:221453:227344,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(C)C)c(F)c4)cc3)CC2)n1,IQTZNGQSXXOKJV-UHFFFAOYSA-N
-rxn:4:221453:227529,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,USRVUQQRKWFNSI-UHFFFAOYSA-N
-rxn:4:221453:227531,COC(=O)c1cc(F)cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,UKFLJMIEVDFBNT-UHFFFAOYSA-N
-rxn:4:221453:227537,COC(=O)c1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,YUJZUWYDMXPCJH-UHFFFAOYSA-N
-rxn:4:221453:227538,COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,NRPAPTVLLQHCKR-UHFFFAOYSA-N
-rxn:4:221453:227554,COC(=O)c1c(F)cccc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,UALPIRUGYRPEGK-UHFFFAOYSA-N
-rxn:4:221455:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1,ZICRVTIFODBZPI-UHFFFAOYSA-N
-rxn:4:221455:225757,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc(C(C)C)n1,XCBQPJUFNNARPT-UHFFFAOYSA-N
-rxn:4:221456:222912,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCC(C)C)cc4)cc3)CC2)n1,ZDQHOIOWMGHCAR-UHFFFAOYSA-N
-rxn:4:221456:227533,COC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,MPVJEJCMELEVLE-UHFFFAOYSA-N
-rxn:4:221456:227534,CCOc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,RIEOCODNJBHRGP-UHFFFAOYSA-N
-rxn:4:221456:227535,CCOc1cc(F)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,OJHHJFAKOAAYBN-UHFFFAOYSA-N
-rxn:4:221456:227540,COc1c(F)cc(SC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,ZGJIPEHOFKCVBF-UHFFFAOYSA-N
-rxn:4:221456:228260,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(C)(F)F)c4)cc3)CC2)n1,VNQHJVZTPWHONB-UHFFFAOYSA-N
-rxn:4:221478:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)cc2C)CC1,PMNVOIIJAPXYLU-UHFFFAOYSA-N
-rxn:4:221491:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cc1Cl,PTAJKMBGHKRQHM-UHFFFAOYSA-N
-rxn:4:221492:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c3ccccc23)CC1,XTADTVGVZUHUDL-UHFFFAOYSA-N
-rxn:4:221546:225177,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCSCC4)c(F)c3)cc2)n(C)c1=O,WJBNTGUMHPSEQE-UHFFFAOYSA-N
-rxn:4:221563:222803,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,UDEWPFMJSFOZLM-UHFFFAOYSA-N
-rxn:4:221594:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5ncccc5=O)C4)nc3)cc2)CC1,WCFFVUVIPGGYSF-UHFFFAOYSA-N
-rxn:4:221645:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,IJJILGOHIYPVDL-UHFFFAOYSA-N
-rxn:4:221726:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,XEQYYNDWORFMFM-UHFFFAOYSA-N
-rxn:4:221726:222771,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cn2)CC1,IZRAZJHZVKABJE-UHFFFAOYSA-N
-rxn:4:221727:222895,CCCCS(=O)(=O)Nc1ccc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)cc1,FTVXQBFBMJVWFQ-UHFFFAOYSA-N
-rxn:4:221732:224825,CON(C)C(=O)c1cc(-c2cncc(C(=O)N3CC4CN(c5nc6ccccc6n5C)CC4C3)c2)cc([N+](=O)[O-])c1,OTZSLJDFYZHNGF-UHFFFAOYSA-N
-rxn:4:221742:224008,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cc2)n(C)c1=O,AMAVUXNSMDOMPK-UHFFFAOYSA-N
-rxn:4:221745:224405,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1)c1nnn2c1nc(N1CCCCCC1)c1sccc12,NVFRKAMJQBTGLB-UHFFFAOYSA-N
-rxn:4:221832:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,OUXFMKIQUXDVEG-UHFFFAOYSA-N
-rxn:4:221836:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,APAHHIWMGVMGHA-UHFFFAOYSA-N
-rxn:4:221836:224768,O=C(c1c(F)cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCC1,CLPORWAUWLDVRJ-UHFFFAOYSA-N
-rxn:4:221836:225000,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(CN5CCCCC5)c(F)c4)cn3)CC2)c2ccccc21,QRCOVNUFLYCUJV-UHFFFAOYSA-N
-rxn:4:221931:223995,CSc1ncc(C#N)c(N2CC(Cn3cc(-c4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)cn3)C2)n1,QZSRIVZOOMVPCJ-UHFFFAOYSA-N
-rxn:4:221935:223508,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,KGAYSTQSOBCRHJ-UHFFFAOYSA-N
-rxn:4:221937:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)c2)CC1,OVSIYLCDORDLKV-UHFFFAOYSA-N
-rxn:4:221951:222807,COc1nccnc1N(C)CC1CCN(c2ncc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cn2)CC1,BDHKFCUGRPTOMH-UHFFFAOYSA-N
-rxn:4:221965:223102,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccsc5S(=O)(=O)NC(C)(C)C)cc4)CC3)nn2)CC1,QUILKUNNMPHBDX-UHFFFAOYSA-N
-rxn:4:221975:222583,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,NWNPOYNAKKPBDA-UHFFFAOYSA-N
-rxn:4:221975:222655,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,PPBSCDROJILFMK-UHFFFAOYSA-N
-rxn:4:221975:222804,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC7CCS(=O)(=O)CC7)cc6)cc5)no4)C3C2=O)cc1,HSXFWSNXFVAMJO-UHFFFAOYSA-N
-rxn:4:221975:222807,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,MYKSFFIMJZSBPM-UHFFFAOYSA-N
-rxn:4:221975:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,RKAKXWBRZOPLBZ-UHFFFAOYSA-N
-rxn:4:221975:222862,CCCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1F,XEKYXIDLGAYMDY-UHFFFAOYSA-N
-rxn:4:221975:222876,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,SPDQPPRIEHPORX-UHFFFAOYSA-N
-rxn:4:221975:222890,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,FFXBSBAAFAQREB-UHFFFAOYSA-N
-rxn:4:221975:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,QLKASMYLWWTEOA-UHFFFAOYSA-N
-rxn:4:221975:222918,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,DZKDZNMWZWASDO-UHFFFAOYSA-N
-rxn:4:221975:222921,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)C)cc6C)cc5)no4)C3C2=O)cc1,ZCLRCGBGPHFXAB-UHFFFAOYSA-N
-rxn:4:221975:222961,CCCCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ACGQCHZKIDSHLQ-UHFFFAOYSA-N
-rxn:4:221975:222964,C#CCCC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,IMAQLZHGFLPXCF-UHFFFAOYSA-N
-rxn:4:221975:222965,CCCC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,DZIPRJZDJCSNMT-UHFFFAOYSA-N
-rxn:4:221975:222967,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC(C)C)c6)cc5)no4)C3C2=O)cc1,IWUSXXPIQRYNPE-UHFFFAOYSA-N
-rxn:4:221975:222985,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCNC7)nc6C)cc5)no4)C3C2=O)cc1,RZKVJHKBUFNGKF-UHFFFAOYSA-N
-rxn:4:221975:223023,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1,CPZYEXGLDKYYFA-UHFFFAOYSA-N
-rxn:4:221975:223040,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(F)c6)cc5)no4)C3C2=O)cc1,QAFMAOGBZMBVMK-UHFFFAOYSA-N
-rxn:4:221975:223056,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1,OUSXQUJQGYBZCN-UHFFFAOYSA-N
-rxn:4:221975:223061,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ncc6F)cc5)no4)C3C2=O)cc1,ZIELBYACWAPBHB-UHFFFAOYSA-N
-rxn:4:221975:223064,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)nc6F)cc5)no4)C3C2=O)cc1,WXOUKHBWSBQTTF-UHFFFAOYSA-N
-rxn:4:221975:223080,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)C)cc6)cc5)no4)C3C2=O)cc1,SZYLIFGRKBKYCM-UHFFFAOYSA-N
-rxn:4:221975:223096,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(C)=O)ccc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,RLUYMEOTESBPPH-UHFFFAOYSA-N
-rxn:4:221975:223101,CNS(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)ccc1OC,MIDXCTNRQREXEA-UHFFFAOYSA-N
-rxn:4:221975:223103,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,ACTOZQJATHHRNY-UHFFFAOYSA-N
-rxn:4:221975:223107,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC)c(NS(C)(=O)=O)c6)cc5)no4)C3C2=O)cc1,GALVOWUJZXRFGA-UHFFFAOYSA-N
-rxn:4:221975:223497,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O[Si](C)(C)C(C)(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,WKCXCWPGCKKCOQ-UHFFFAOYSA-N
-rxn:4:221975:223678,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cc(OCc7ccccc7)c6F)cc5)no4)C3C2=O)cc1,FQJULDYQVYNQPO-UHFFFAOYSA-N
-rxn:4:221975:223810,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(S(=O)(=O)N7CCC(C)CC7)c(C)c6)cc5)no4)C3C2=O)cc1,FCLUTMQWTZPCRU-UHFFFAOYSA-N
-rxn:4:221975:223885,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)CC7)cc5)no4)C3C2=O)cc1,GEOQLBUSXQOQEZ-UHFFFAOYSA-N
-rxn:4:221975:223979,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,NSWYPJOGZBZTQH-UHFFFAOYSA-N
-rxn:4:221975:224267,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC8(CC7)OCCO8)c6)cc5)no4)C3C2=O)cc1,BJXZFQZJNNARTK-UHFFFAOYSA-N
-rxn:4:221975:224325,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCN(S(C)(=O)=O)CC7)cc6)cc5)no4)C3C2=O)cc1,PPFDBNSMGBDUDO-UHFFFAOYSA-N
-rxn:4:221975:224359,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,RQWKLPNSSBSNTQ-UHFFFAOYSA-N
-rxn:4:221975:224373,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,KWBCIVUGWDPXKF-UHFFFAOYSA-N
-rxn:4:221975:224492,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCC(=O)N7CCCC7)cc6)cc5)no4)C3C2=O)cc1,KKAHIDUVKLGPDZ-UHFFFAOYSA-N
-rxn:4:221975:224621,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCSCC7)cc6)cc5)no4)C3C2=O)cc1,ODOVZWHSTSFXGX-UHFFFAOYSA-N
-rxn:4:221975:224664,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,PGTYRXJVJBEQCK-UHFFFAOYSA-N
-rxn:4:221975:224689,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1,PIBJMNJOKGAJTM-UHFFFAOYSA-N
-rxn:4:221975:224705,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)c(F)c6F)cc5)no4)C3C2=O)cc1,WAYCZVYUGKBCTH-UHFFFAOYSA-N
-rxn:4:221975:224778,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(OC7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,UNNXPWBJZWKYCW-UHFFFAOYSA-N
-rxn:4:221975:224780,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,BNCSMTNEDGKVDT-UHFFFAOYSA-N
-rxn:4:221975:224810,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,PDEDZINDAAWMPQ-UHFFFAOYSA-N
-rxn:4:221975:224824,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7OCCO7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,GBTHTESSHIESMD-UHFFFAOYSA-N
-rxn:4:221975:224964,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,PFCYPRDPFKGUEV-UHFFFAOYSA-N
-rxn:4:221975:225007,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCCCC7)c6F)cc5)no4)C3C2=O)cc1,AEMZZXCZGALQMB-UHFFFAOYSA-N
-rxn:4:221975:225061,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,SRBFADUFNYRLOZ-UHFFFAOYSA-N
-rxn:4:221975:225098,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)nc6)cc5)no4)C3C2=O)cc1,UTALEFPECURKJS-UHFFFAOYSA-N
-rxn:4:221975:225126,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OCC6CCCO6)cc5)no4)C3C2=O)cc1,ZFIVQKWOWGHKBU-UHFFFAOYSA-N
-rxn:4:221975:225173,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)cc6F)cc5)no4)C3C2=O)cc1,SXMHSKXJCRNQGR-UHFFFAOYSA-N
-rxn:4:221975:225176,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,SASJYESKQQDQFD-UHFFFAOYSA-N
-rxn:4:221975:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,VLKVWSISOZUVCI-UHFFFAOYSA-N
-rxn:4:221975:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,RHJMNVWFNSHFHZ-UHFFFAOYSA-N
-rxn:4:221975:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,CUWQYVJRKIPQRW-UHFFFAOYSA-N
-rxn:4:221975:225267,CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,DBZFSESTYVHQEY-UHFFFAOYSA-N
-rxn:4:221975:225269,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(C(=O)OC)c1,NYLGXAIZSDUWAQ-UHFFFAOYSA-N
-rxn:4:221975:225277,COC(=O)c1c(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1OC,JNRSACIIAKGJAF-UHFFFAOYSA-N
-rxn:4:221975:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,FIABUMWFOZHSFR-UHFFFAOYSA-N
-rxn:4:221975:225290,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC(C)C)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,DVWFNSKJVXRCHX-UHFFFAOYSA-N
-rxn:4:221975:225307,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,JDOKQNDIORBTII-UHFFFAOYSA-N
-rxn:4:221975:225319,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,LJXAIBTVTGUKQM-UHFFFAOYSA-N
-rxn:4:221975:225325,CCOC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,YWRXPZWQOWPVFR-UHFFFAOYSA-N
-rxn:4:221975:225326,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,KQMCCSNLLSBXFP-UHFFFAOYSA-N
-rxn:4:221975:225352,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)=O)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,QDNRNGVUKJGJQX-UHFFFAOYSA-N
-rxn:4:221975:225359,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC)c(OC)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,RYEDFKIWWXRDSN-UHFFFAOYSA-N
-rxn:4:221975:225365,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)c(F)c(OC(C)C)c(F)c6F)cc5)no4)C3C2=O)cc1,ULOHFOGWPLZJDM-UHFFFAOYSA-N
-rxn:4:221975:225432,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCCC7)c6)cc5)no4)C3C2=O)cc1,BNHBAEQBHUIOGI-UHFFFAOYSA-N
-rxn:4:221975:225437,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCCCC7)c6)cc5)no4)C3C2=O)cc1,CBYHRSMJSSBGJZ-UHFFFAOYSA-N
-rxn:4:221975:225439,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,SVDHNSQHJFHLIN-UHFFFAOYSA-N
-rxn:4:221975:225454,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,CRLNNGDWAYRZMQ-UHFFFAOYSA-N
-rxn:4:221975:225456,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,IHRRMULBWZACCG-UHFFFAOYSA-N
-rxn:4:221975:225519,CCOC(=O)CCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,KGIAOMDPFITMTB-UHFFFAOYSA-N
-rxn:4:221975:225532,CCN(CC)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)c1,GSRYBJPMSRFCPA-UHFFFAOYSA-N
-rxn:4:221975:225534,CCN(CC)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1Cl,LKJUJBQGKLEZIM-UHFFFAOYSA-N
-rxn:4:221975:225535,CCN(CC)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)ccc1Cl,BYMVEDGIHBUHSF-UHFFFAOYSA-N
-rxn:4:221975:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,VAEVWTNPRGHNTG-UHFFFAOYSA-N
-rxn:4:221975:225552,CCN(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C2CC2)n1,CYTFTXCQJMGXBT-UHFFFAOYSA-N
-rxn:4:221975:225587,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,CLHUYMSKMSNZDB-UHFFFAOYSA-N
-rxn:4:221975:225601,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C#N)CCC7)cc6F)cc5)no4)C3C2=O)cc1,KTZUGACPWVXPKG-UHFFFAOYSA-N
-rxn:4:221975:225632,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,XAINVOCQOAWJLB-UHFFFAOYSA-N
-rxn:4:221975:225720,CCOC(=O)COc1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,XLTGXZGAIKIROA-UHFFFAOYSA-N
-rxn:4:221975:225736,CCCOc1c(OC)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1F,VCJRIAITCVYYAR-UHFFFAOYSA-N
-rxn:4:221975:225798,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,VEXSPRLSJAZPCO-UHFFFAOYSA-N
-rxn:4:221975:225827,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,NUBGBSRAQVXYBH-UHFFFAOYSA-N
-rxn:4:221975:225849,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1,BNLMFTGNDWRSFI-UHFFFAOYSA-N
-rxn:4:221975:225872,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,PHTYIDNRIFQWIE-UHFFFAOYSA-N
-rxn:4:221975:225878,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,YHUAJXJCWSEJAB-UHFFFAOYSA-N
-rxn:4:221975:225892,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(OC)OC)ncc6OC)cc5)no4)C3C2=O)cc1,QQTOLYWXEDHZBH-UHFFFAOYSA-N
-rxn:4:221975:225895,COCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(Cl)c1F,KIYQFFYTGBWYJX-UHFFFAOYSA-N
-rxn:4:221975:225913,CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,KXBPEYQFRKMQEA-UHFFFAOYSA-N
-rxn:4:221975:225914,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,JKGZGGFJSKWGBI-UHFFFAOYSA-N
-rxn:4:221975:225926,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC7)cc6)cc5)no4)C3C2=O)cc1,HWSCHZIJEMYPBI-UHFFFAOYSA-N
-rxn:4:221975:225928,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,LHQQCZMOMZPADX-UHFFFAOYSA-N
-rxn:4:221975:225931,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)cc(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,CVVRAFCALFTBOM-UHFFFAOYSA-N
-rxn:4:221975:225976,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCOCC7)c6F)cc5)no4)C3C2=O)cc1,BZERSKOCLBUTSO-UHFFFAOYSA-N
-rxn:4:221975:225978,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1,PROXVEFVEDIJPZ-UHFFFAOYSA-N
-rxn:4:221975:226014,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)OC)ccc6OC)cc5)no4)C3C2=O)cc1,WWLWXZGEIJIPNL-UHFFFAOYSA-N
-rxn:4:221975:226018,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(SC)c(OC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,FSPCCOGIQOFRKZ-UHFFFAOYSA-N
-rxn:4:221975:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,YOWPKWKGVQVJQS-UHFFFAOYSA-N
-rxn:4:221975:226040,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6C)cc5)no4)C3C2=O)cc1,HYIUBHOWOGQGCK-UHFFFAOYSA-N
-rxn:4:221975:226330,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCCC7)s6)cc5)no4)C3C2=O)cc1,WHVMWOJURWJYNI-UHFFFAOYSA-N
-rxn:4:221975:226714,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnn6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,DHEXMKSOLJYWAE-UHFFFAOYSA-N
-rxn:4:221978:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1,QYLXSZDLKJKXGW-UHFFFAOYSA-N
-rxn:4:221981:223569,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cnc7c(ccn7[Si](C(C)C)(C(C)C)C(C)C)c6F)c5)no4)C3C2=O)cc1,AXEIKTZUXIGOOP-UHFFFAOYSA-N
-rxn:4:221982:222394,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N[C@H]7CC[C@H](O)CC7)cc6)cc5)no4)C3C2=O)cc1,BLQXRDRTMUVDMO-BCYBZIRRSA-N
-rxn:4:221982:222430,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc5)no4)C3C2=O)cc1,POHZRQINWCHBPB-UHFFFAOYSA-N
-rxn:4:221982:222453,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)Nc7ccccc7C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,UFIVKNRSAIIKHW-UHFFFAOYSA-N
-rxn:4:221982:222500,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NCc7ccc(F)cc7)ccc6F)cc5)no4)C3C2=O)cc1,CNXRIQPIBNHNNG-UHFFFAOYSA-N
-rxn:4:221982:222505,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCc7cccc(F)c7)c6)cc5)no4)C3C2=O)cc1,KLQCQLOBUKYSAT-UHFFFAOYSA-N
-rxn:4:221982:222624,CC(C)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,GSZRJRRFVVTJEL-UHFFFAOYSA-N
-rxn:4:221982:222694,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,WULMNSJUMICJOU-UHFFFAOYSA-N
-rxn:4:221982:222723,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NS(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,IFBRXPHVCJLKCR-UHFFFAOYSA-N
-rxn:4:221982:222801,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)(C)C,OISLTNYZYTYQPB-UHFFFAOYSA-N
-rxn:4:221982:222807,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,JMFZUUHQJMWTRT-UHFFFAOYSA-N
-rxn:4:221982:222842,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CCCC7)c6)cc5)no4)C3C2=O)cc1,GBHBCZXCLBRLQW-UHFFFAOYSA-N
-rxn:4:221982:222858,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1,WPMWYIUEWZPRPC-UHFFFAOYSA-N
-rxn:4:221982:222889,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCNCC7)c6)cc5)no4)C3C2=O)cc1,JJTMQVAHJQXBQD-UHFFFAOYSA-N
-rxn:4:221982:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,NJXSJWWDQWGEII-UHFFFAOYSA-N
-rxn:4:221982:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,OBWVJEBGDGGYMY-UHFFFAOYSA-N
-rxn:4:221982:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,LFYGVBJQYCMEBQ-UHFFFAOYSA-N
-rxn:4:221982:222947,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC(O)C7)nc6Cl)cc5)no4)C3C2=O)cc1,KMMRZPUAESFRBL-UHFFFAOYSA-N
-rxn:4:221982:222980,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCNCC7)cc6)cc5)no4)C3C2=O)cc1,BQFLULOKSFLLFC-UHFFFAOYSA-N
-rxn:4:221982:222983,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)C7)c6)cc5)no4)C3C2=O)cc1,WTXBSISYKBLVKL-UHFFFAOYSA-N
-rxn:4:221982:222986,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,CSJIFRIGXJMDSN-UHFFFAOYSA-N
-rxn:4:221982:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,DQYVDOMORCWQDC-UHFFFAOYSA-N
-rxn:4:221982:223022,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,SIWBROVPUGWMHX-UHFFFAOYSA-N
-rxn:4:221982:223047,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,TXQOYPZDBHGXLR-UHFFFAOYSA-N
-rxn:4:221982:223048,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CC7)c6F)cc5)no4)C3C2=O)cc1,WNXLKASAZSATCA-UHFFFAOYSA-N
-rxn:4:221982:223103,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,KEJIKGVBCZUOCW-UHFFFAOYSA-N
-rxn:4:221982:223109,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)NC7CC7)cc6)cc5)no4)C3C2=O)cc1,SZUDTSIMNOIOBM-UHFFFAOYSA-N
-rxn:4:221982:223113,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)C(C)(C)C(=O)N7)cc5)no4)C3C2=O)cc1,AFYUOPZWQDDXNJ-UHFFFAOYSA-N
-rxn:4:221982:223137,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,MUQYFOALGBTHLO-UHFFFAOYSA-N
-rxn:4:221982:223139,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)nc6)cc5)no4)C3C2=O)cc1,CPKKSTHJCJBODR-UHFFFAOYSA-N
-rxn:4:221982:223140,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,NHULIHQEJJTBMI-UHFFFAOYSA-N
-rxn:4:221982:223154,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1F,YJPMEOOMMFWQDX-UHFFFAOYSA-N
-rxn:4:221982:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,XDXUVSAVERNBQB-UHFFFAOYSA-N
-rxn:4:221982:223161,CNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(OC)c1,BUEDIMICIDXTDS-UHFFFAOYSA-N
-rxn:4:221982:223164,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(NC7CC7)c6)cc5)no4)C3C2=O)cc1,BKLJHLLKPNCNIL-UHFFFAOYSA-N
-rxn:4:221982:223176,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNS(C)(=O)=O)c6)cc5)no4)C3C2=O)cc1,PZBDWKPMYZGPQX-UHFFFAOYSA-N
-rxn:4:221982:223179,CONC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1F,YCETZGMQFCWUIW-UHFFFAOYSA-N
-rxn:4:221982:223181,CCNS(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,LGZWHHIRGPAZCZ-UHFFFAOYSA-N
-rxn:4:221982:223294,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6csc(N7CCNCC7)n6)cc5)no4)C3C2=O)cc1,ZPUROZJHTUIEAL-UHFFFAOYSA-N
-rxn:4:221982:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c3ccccc23)CC1,VPTKBBDOQZUMLU-UHFFFAOYSA-N
-rxn:4:221982:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c2)C1,DVLJKFRNDFDTRM-UHFFFAOYSA-N
-rxn:4:221982:223661,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)OCc7ccccc7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,CIRMLAGXNFBUTR-UHFFFAOYSA-N
-rxn:4:221982:223690,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cn1S(=O)(=O)c1ccc(C)cc1,JCYBTVHHIDTPGN-UHFFFAOYSA-N
-rxn:4:221982:223941,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CC(=O)N7C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,LINZIFAJBUGVSW-UHFFFAOYSA-N
-rxn:4:221982:224125,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C8CC8)CC7)cc6)cc5)no4)C3C2=O)cc1,OGJDVYDLJOOCBR-UHFFFAOYSA-N
-rxn:4:221982:224157,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(=O)OC(C)(C)C)c7ccccc67)cc5)no4)C3C2=O)cc1,MXMLHQXCXYCZGU-UHFFFAOYSA-N
-rxn:4:221982:224178,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,WDWURGMNHKQRAV-UHFFFAOYSA-N
-rxn:4:221982:224193,CCN1CCN(Cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)ccc2F)CC1,DFFJJKWUTYUHCO-UHFFFAOYSA-N
-rxn:4:221982:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,LIVKVWMMEIIMRZ-UHFFFAOYSA-N
-rxn:4:221982:224672,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,ZFTRGHKVCQJUGN-UHFFFAOYSA-N
-rxn:4:221982:224819,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,WHHKLEAGIHYCAH-UHFFFAOYSA-N
-rxn:4:221982:224971,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,HFDGBCRNQVZCLV-UHFFFAOYSA-N
-rxn:4:221982:224991,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,LGUQVIUKOGTOPY-UHFFFAOYSA-N
-rxn:4:221982:225005,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,WFUOODDBQBPNGJ-UHFFFAOYSA-N
-rxn:4:221982:225181,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6F)cc5)no4)C3C2=O)cc1,VAOWEKYUFITZBE-UHFFFAOYSA-N
-rxn:4:221982:225213,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6Cl)cc5)no4)C3C2=O)cc1,ZJUBEFUYFVMPBF-UHFFFAOYSA-N
-rxn:4:221982:225275,COCCOc1c(F)c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1F,NYSANZOJGAEOBT-UHFFFAOYSA-N
-rxn:4:221982:225300,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1,IAADLXNDLUIQOO-UHFFFAOYSA-N
-rxn:4:221982:225307,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,RULYTXCYVWKJTL-UHFFFAOYSA-N
-rxn:4:221982:225326,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,MZNGJFZIVHGQNL-UHFFFAOYSA-N
-rxn:4:221982:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,AXIHCHZWJNZWPV-UHFFFAOYSA-N
-rxn:4:221982:225369,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(Cl)c([N+](=O)[O-])c1,PJZQQDWKNKDPIB-UHFFFAOYSA-N
-rxn:4:221982:225523,CCOC(=O)CCc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,MSTWBMLZOYEBDD-UHFFFAOYSA-N
-rxn:4:221982:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,MJOMFHHQTGRNKV-UHFFFAOYSA-N
-rxn:4:221982:225575,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C1CC1,DLWZGLRIELSUSQ-UHFFFAOYSA-N
-rxn:4:221982:225589,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCSCC7)cc6)cc5)no4)C3C2=O)cc1,JIKQGSMTLRNERS-UHFFFAOYSA-N
-rxn:4:221982:225591,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1,OJVJDJHNMZYQHJ-UHFFFAOYSA-N
-rxn:4:221982:225825,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1,KKGFTZORJXPIEW-UHFFFAOYSA-N
-rxn:4:221982:225870,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,SLLJOTDZSSTSCS-UHFFFAOYSA-N
-rxn:4:221982:225872,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,SZDMSFXHTCPJAL-UHFFFAOYSA-N
-rxn:4:221982:225928,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N(C)C,FMWOOBBWVKRXEY-UHFFFAOYSA-N
-rxn:4:221982:225932,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,UNDBEGBVGDWOMJ-UHFFFAOYSA-N
-rxn:4:221982:225947,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1,FZNOSXJLSKQETR-UHFFFAOYSA-N
-rxn:4:221982:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,WARITFGLOWHKAW-UHFFFAOYSA-N
-rxn:4:221982:225976,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCOCC7)c6F)cc5)no4)C3C2=O)cc1,YBYDWMMVLSXPLU-UHFFFAOYSA-N
-rxn:4:221982:225978,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1,DAPCRRVZRSQOPT-UHFFFAOYSA-N
-rxn:4:221982:225999,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,WBLCBKMFHVIEED-UHFFFAOYSA-N
-rxn:4:221982:226002,CC(=O)Oc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1[N+](=O)[O-],SXRMCEPDELFOAE-UHFFFAOYSA-N
-rxn:4:221982:226005,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)c(F)c6)cc5)no4)C3C2=O)cc1,QDCHIXRSQHQHAI-UHFFFAOYSA-N
-rxn:4:221982:226023,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(OCC(F)F)c6F)cc5)no4)C3C2=O)cc1,OMSBZUWEMAABFN-UHFFFAOYSA-N
-rxn:4:221982:226025,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCOC7)nc6Cl)cc5)no4)C3C2=O)cc1,HOVUOQVWDPPIGM-UHFFFAOYSA-N
-rxn:4:221982:226029,CCOc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)c1F,IYKKEPNCEWDVPI-UHFFFAOYSA-N
-rxn:4:221982:226040,Cc1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HDIBZQHOGKGBQL-UHFFFAOYSA-N
-rxn:4:221982:226043,COc1c(F)cc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],MBZLMYLTNSQBLJ-UHFFFAOYSA-N
-rxn:4:221982:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,NVLYPLYASOQFPT-UHFFFAOYSA-N
-rxn:4:221982:226299,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CC7)cc6Cl)cc5)no4)C3C2=O)cc1,NNGHSYSRULCMMH-UHFFFAOYSA-N
-rxn:4:221982:226331,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C#N)CC7)cc6F)cc5)no4)C3C2=O)cc1,DSBGRGAPOFSCKN-UHFFFAOYSA-N
-rxn:4:221982:226333,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCC7)c6)cc5)no4)C3C2=O)cc1,KUQHOJMDHWENEE-UHFFFAOYSA-N
-rxn:4:221982:226356,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(Cl)cc1C1CC1,PTUONGBUMUOCPF-UHFFFAOYSA-N
-rxn:4:221982:226414,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=NCCCO7)cc6)cc5)no4)C3C2=O)cc1,ZCGAARIJYITMKC-UHFFFAOYSA-N
-rxn:4:221982:226466,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)OCC(=O)N7C)cc5)no4)C3C2=O)cc1,GMQTZTJBACWXNY-UHFFFAOYSA-N
-rxn:4:221982:226469,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)N(C)C(=O)CO7)cc5)no4)C3C2=O)cc1,HCRSPHXEWWHBGM-UHFFFAOYSA-N
-rxn:4:221982:226492,COCCOc1ccc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,GVETXXQSOOFBFH-UHFFFAOYSA-N
-rxn:4:221982:226513,COC(=O)c1cc(C#N)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,GQICWQHOSNLMNI-UHFFFAOYSA-N
-rxn:4:221982:226541,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1OC,YUSBRBDEGCITBA-UHFFFAOYSA-N
-rxn:4:221982:226542,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1F,CNJGIPWWGYCQGB-UHFFFAOYSA-N
-rxn:4:221982:226574,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,KFTDPEAFMLEARL-UHFFFAOYSA-N
-rxn:4:221982:226577,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,QGFQEHSDBNIWSS-UHFFFAOYSA-N
-rxn:4:221982:226582,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C)cc6F)cc5)no4)C3C2=O)cc1,LEYFSVASSSDYFG-UHFFFAOYSA-N
-rxn:4:221982:226662,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)s6)cc5)no4)C3C2=O)cc1,WHYXSCZLCIYWAV-UHFFFAOYSA-N
-rxn:4:221982:226664,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)ncc6F)cc5)no4)C3C2=O)cc1,KGCVLDYLXZNLGE-UHFFFAOYSA-N
-rxn:4:221982:226679,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCC7)cc6F)cc5)no4)C3C2=O)cc1,FECZGUTUNDEXOQ-UHFFFAOYSA-N
-rxn:4:221982:226730,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCC7)nc6Cl)cc5)no4)C3C2=O)cc1,PRLFNZDZROARCI-UHFFFAOYSA-N
-rxn:4:221982:226731,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N(C)C)cc5)no4)C3C2=O)cc1,CKLDZCIERLYHGA-UHFFFAOYSA-N
-rxn:4:221982:226734,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,BTEPBEIFBATNMU-UHFFFAOYSA-N
-rxn:4:221982:226737,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(C#N)c6)cc5)no4)C3C2=O)cc1,FNOCZQWVHTUEHS-UHFFFAOYSA-N
-rxn:4:221982:226738,CC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,QRMHODGBMFOTBH-UHFFFAOYSA-N
-rxn:4:221982:226741,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6C#N)cc5)no4)C3C2=O)cc1,SDWLYMNALWGNBF-UHFFFAOYSA-N
-rxn:4:221982:226765,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)c1F,ZYEXGQWKWJRBNW-UHFFFAOYSA-N
-rxn:4:221982:226853,COc1ccc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],MFWZTGVKUOYNDZ-UHFFFAOYSA-N
-rxn:4:221982:226855,COc1cc(C(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cn1,VWSVDLWWNQPSTC-UHFFFAOYSA-N
-rxn:4:221982:226881,COc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)c1F,XNWGNWFRDBHOSJ-UHFFFAOYSA-N
-rxn:4:221982:226882,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(F)c6F)cc5)no4)C3C2=O)cc1,PTNXNFVGIBIICD-UHFFFAOYSA-N
-rxn:4:221982:226896,COCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,VIEWDIXPGHMQLJ-UHFFFAOYSA-N
-rxn:4:221982:226899,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,FACITPZQFASCKE-UHFFFAOYSA-N
-rxn:4:221982:227449,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOCC7)s6)cc5)no4)C3C2=O)cc1,PUZHDCUDMIODIB-UHFFFAOYSA-N
-rxn:4:221982:227613,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(C7CCOCC7)c6)cc5)no4)C3C2=O)cc1,BUBTUEMCGAQYAN-UHFFFAOYSA-N
-rxn:4:221982:227684,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CC7OCCO7)c6)cc5)no4)C3C2=O)cc1,CEHHXDFOZXUXKN-UHFFFAOYSA-N
-rxn:4:221982:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,UGMNROKQIAUZIX-UHFFFAOYSA-N
-rxn:4:222009:222950,CONS(=O)(=O)c1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)ccc1OC,YVVIKDZIIRYREZ-UHFFFAOYSA-N
-rxn:4:222062:222418,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)CC2)n1,HSDPZNUNPJZTIR-UHFFFAOYSA-N
-rxn:4:222062:228553,CCSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,ZHCBECMPKREAAU-UHFFFAOYSA-N
-rxn:4:222062:228627,CCc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,KXNOPVYZUJUSOA-UHFFFAOYSA-N
-rxn:4:222062:228801,CSc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XFRLVNUEJZODEZ-UHFFFAOYSA-N
-rxn:4:222062:228807,CSc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,KVNKRPPIPBZSOC-UHFFFAOYSA-N
-rxn:4:222062:228930,CSc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccnc1F,MCGWKEYNRIVXAR-UHFFFAOYSA-N
-rxn:4:222089:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,YGNFXFBKKXMOSV-FLSAQCKPSA-N
-rxn:4:222089:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,HBPAZDDPNBKBQT-FLSAQCKPSA-N
-rxn:4:222089:222398,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1NC(=O)NC1CC1,OOQZXKUAMQCULW-UHFFFAOYSA-N
-rxn:4:222089:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc(F)c2s1,CQAXPAJPQJQQQQ-UHFFFAOYSA-N
-rxn:4:222089:222522,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,XCMGSNAAAIUKAI-UHFFFAOYSA-N
-rxn:4:222089:222584,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CQSWLUNODOOBDP-UHFFFAOYSA-N
-rxn:4:222089:222588,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCC(O)CC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YLTPDPUFWCYRNE-UHFFFAOYSA-N
-rxn:4:222089:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,LQVSXKUPOUWNPR-UHFFFAOYSA-N
-rxn:4:222089:222678,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F,DMYQSHFRBMJDSB-UHFFFAOYSA-N
-rxn:4:222089:222704,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CCNCC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,IBVBYSNKASJGCH-UHFFFAOYSA-N
-rxn:4:222089:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VJAFQXVDHUXXBJ-UHFFFAOYSA-N
-rxn:4:222089:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F,JRRLRMZKXJQZRN-UHFFFAOYSA-N
-rxn:4:222089:222801,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)(C)C,OQFGKIQGBRBRCT-UHFFFAOYSA-N
-rxn:4:222089:222816,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)C,URVBWFHZFLURAX-UHFFFAOYSA-N
-rxn:4:222089:222828,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)NC5CC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,QHKKCIQCHXZWTK-UHFFFAOYSA-N
-rxn:4:222089:222829,CNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,FASWUWCXOHYJAI-UHFFFAOYSA-N
-rxn:4:222089:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,SRQWDFBSKFGZBK-UHFFFAOYSA-N
-rxn:4:222089:222845,CC(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCNCC1,YPSYTYANKFQNIV-UHFFFAOYSA-N
-rxn:4:222089:222849,N#Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1C1CCNCC1,FNEZLZKJGGQBEY-UHFFFAOYSA-N
-rxn:4:222089:222857,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)c1,TYMRKKFBBWHVBQ-UHFFFAOYSA-N
-rxn:4:222089:222862,CCCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F,DAONDJOUIXLPEL-UHFFFAOYSA-N
-rxn:4:222089:222866,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,NGPSKPYEZKPDEZ-UHFFFAOYSA-N
-rxn:4:222089:222887,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCNCC1,SXUMKLVXQDNWKI-UHFFFAOYSA-N
-rxn:4:222089:222888,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCNCC6)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KMIZKSTUCZZQAZ-UHFFFAOYSA-N
-rxn:4:222089:222889,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)cc(CN6CCNCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HTSOOPKCNRDHAO-UHFFFAOYSA-N
-rxn:4:222089:222890,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,OQGYIYTVYZDIGU-UHFFFAOYSA-N
-rxn:4:222089:222891,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,BGVRPTDLVOZIBM-UHFFFAOYSA-N
-rxn:4:222089:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cs1,UTDGRAKYADBQFI-UHFFFAOYSA-N
-rxn:4:222089:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1,BLVFTYUCHHBNOI-UHFFFAOYSA-N
-rxn:4:222089:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,GTZDARXUEGTDLD-UHFFFAOYSA-N
-rxn:4:222089:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,AGEIFPPCSYDLMV-UHFFFAOYSA-N
-rxn:4:222089:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,ZSBFTZVQVFBAPO-UHFFFAOYSA-N
-rxn:4:222089:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,OAJFNFVFKDSZJV-UHFFFAOYSA-N
-rxn:4:222089:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,OITOWSOYXASITG-UHFFFAOYSA-N
-rxn:4:222089:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)C1,SPVCADSGCHWPBD-UHFFFAOYSA-N
-rxn:4:222089:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2C)CC1,DTTROVIANUHVTD-UHFFFAOYSA-N
-rxn:4:222089:223784,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2F)CC1,YKBRALMASFWFPX-UHFFFAOYSA-N
-rxn:4:222089:223809,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(N6CCOCC6)cc(N6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LXFFEWZTOMXVHJ-UHFFFAOYSA-N
-rxn:4:222089:223813,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,AUFQXGJHOUGSKK-UHFFFAOYSA-N
-rxn:4:222089:223881,Cc1ccc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c2c1,YPDYJLZMRSKEFN-UHFFFAOYSA-N
-rxn:4:222089:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2C1,WIKLSXWSTWUXEX-UHFFFAOYSA-N
-rxn:4:222089:223893,CCN1CCN(CCOc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,UXCCSFUBJHMVIQ-UHFFFAOYSA-N
-rxn:4:222089:223927,C[Si](C)(C)CCOCn1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc2cccnc21,PJCMVYASSDQVAB-UHFFFAOYSA-N
-rxn:4:222089:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2F)CC1,ISLIXUIKMFKROY-UHFFFAOYSA-N
-rxn:4:222089:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,XCEFJDBGVZCEKH-UHFFFAOYSA-N
-rxn:4:222089:223992,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,YXWRRSZMEQXBHI-UHFFFAOYSA-N
-rxn:4:222089:223993,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,NUXRNLYQXRGMSH-UHFFFAOYSA-N
-rxn:4:222089:223996,CN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(C(F)(F)F)c2)CC1,UMYLHGGORWVKLE-UHFFFAOYSA-N
-rxn:4:222089:224065,CC1CCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc(C3CC3)c2)CC1,QQZKKRMMSJAMOR-UHFFFAOYSA-N
-rxn:4:222089:224155,CN1CCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc(C3CC3)c2)CC1,HKTMXBOIRXADCJ-UHFFFAOYSA-N
-rxn:4:222089:224178,CN1CCN(CCOc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,OOLSIPTZWJJUFL-UHFFFAOYSA-N
-rxn:4:222089:224187,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCCCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HJPUDTGISXZCAP-UHFFFAOYSA-N
-rxn:4:222089:224194,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,MILRGUDWUFSPNT-UHFFFAOYSA-N
-rxn:4:222089:224195,CCN1CCN(Cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc2Cl)CC1,ABRKGOFMCMYQLO-UHFFFAOYSA-N
-rxn:4:222089:224197,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2F)CC1,MMCSDKKCLLRJGT-UHFFFAOYSA-N
-rxn:4:222089:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)C1,OFBWYDNFAYDERV-UHFFFAOYSA-N
-rxn:4:222089:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,SXKUGHMUODWXAV-UHFFFAOYSA-N
-rxn:4:222089:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,VLIXNQBEFGBREK-UHFFFAOYSA-N
-rxn:4:222089:224323,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C)c1S(=O)(=O)N1CCCC1,SLNSWXZQMBBWDL-UHFFFAOYSA-N
-rxn:4:222089:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,HLKZWJRRTLMUJU-UHFFFAOYSA-N
-rxn:4:222089:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,PSQZDQPYFFUANV-UHFFFAOYSA-N
-rxn:4:222089:224403,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cnc(N6CCOCC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,WPIMVLGTMKMXEG-UHFFFAOYSA-N
-rxn:4:222089:224482,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCCCN6CCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SBHBPWOTHYKSNI-UHFFFAOYSA-N
-rxn:4:222089:224487,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCCN6CCCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PXKYZPWZXXSFDR-UHFFFAOYSA-N
-rxn:4:222089:224494,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CCOC6CCCCO6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,XIVBWDMADUMCAT-UHFFFAOYSA-N
-rxn:4:222089:224501,CN1CCCCC1COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,KXRQHXXYANNVSG-UHFFFAOYSA-N
-rxn:4:222089:224582,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(N6CCN(C7CC7)CC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,JGEFPIJGWBOOJL-UHFFFAOYSA-N
-rxn:4:222089:224605,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(OC)c1,STPIXLUMUTXZFM-UHFFFAOYSA-N
-rxn:4:222089:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,NSZCKBGUGGBAKZ-UHFFFAOYSA-N
-rxn:4:222089:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,JPNVRGYXZKBSRD-UHFFFAOYSA-N
-rxn:4:222089:224687,O=C1CCN(Cc2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,JUKJAJFNUAFGKF-UHFFFAOYSA-N
-rxn:4:222089:224690,O=C1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,OAICSCSBDNKREB-UHFFFAOYSA-N
-rxn:4:222089:224703,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCCC6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GTKJWBQJQXWDSL-UHFFFAOYSA-N
-rxn:4:222089:224750,O=C(c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1Cl)N1CCOCC1,WKVKMBVBJFRGHS-UHFFFAOYSA-N
-rxn:4:222089:224755,O=C(c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCOCC1,PJNWCHGZDBBSPM-UHFFFAOYSA-N
-rxn:4:222089:224758,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1Cl)N1CCOCC1,QELWMJRDJASNKE-UHFFFAOYSA-N
-rxn:4:222089:224764,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1)N1CCOCC1,PGJHKLDFDMLCLL-UHFFFAOYSA-N
-rxn:4:222089:224767,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F)N1CCOCC1,RVGSGNFHVVSRNQ-UHFFFAOYSA-N
-rxn:4:222089:224772,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1)N1CCOCC1,UNZYFDOXMMKCHG-UHFFFAOYSA-N
-rxn:4:222089:224778,O=C1C2N=NN(Cc3nc(-c4ccc(-c5c(F)cc(OC6CCOCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SFJWQJCZJPSBOO-UHFFFAOYSA-N
-rxn:4:222089:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,LDXYNCTVNLAJIE-UHFFFAOYSA-N
-rxn:4:222089:224802,COC(OC)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,SPUQMDRLCNOJHH-UHFFFAOYSA-N
-rxn:4:222089:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1,AZCXMGSXBRGRRZ-UHFFFAOYSA-N
-rxn:4:222089:224810,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cnc(N6CCCC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,NWRWVKVBCRLXNN-UHFFFAOYSA-N
-rxn:4:222089:224818,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCSCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,IMGJGRPZXUZJON-UHFFFAOYSA-N
-rxn:4:222089:224881,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(CN6CCCCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SVYVNYSACMNVCF-UHFFFAOYSA-N
-rxn:4:222089:224884,CC1CCN(Cc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,DNWNMWWUGNKCJU-UHFFFAOYSA-N
-rxn:4:222089:224930,CCN(CC)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OC,JTYLCFXEMUFAQN-UHFFFAOYSA-N
-rxn:4:222089:224931,CCN(CC)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CC2)n1,CWYNWZNRMRJSRW-UHFFFAOYSA-N
-rxn:4:222089:224964,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(COC6CCOCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,RWKRTECCKOXULK-UHFFFAOYSA-N
-rxn:4:222089:224977,N#Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1N1CCCCC1,RVDGMUDXSZTNNY-UHFFFAOYSA-N
-rxn:4:222089:224998,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCCCC1,WKSJJBGQGKJCEG-UHFFFAOYSA-N
-rxn:4:222089:225043,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OC6CCCCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,TVHJYLKZCBAYOT-UHFFFAOYSA-N
-rxn:4:222089:225098,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCCC6)nc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,MRJXMNDEISYPMY-UHFFFAOYSA-N
-rxn:4:222089:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,RPQRRVUOAQHEBC-UHFFFAOYSA-N
-rxn:4:222089:225108,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1,ZGBNARLUYVMFCN-UHFFFAOYSA-N
-rxn:4:222089:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,CDZRQGGLWBKPMD-UHFFFAOYSA-N
-rxn:4:222089:225111,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1OCC(C)C,CRTUNYIRFGEABP-UHFFFAOYSA-N
-rxn:4:222089:225157,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCSCC1,AGVQWCWBUSJNCB-UHFFFAOYSA-N
-rxn:4:222089:225159,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCOCC1,YSFFJRYFHQAZGR-UHFFFAOYSA-N
-rxn:4:222089:225165,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1N1CCOCC1,PTOLPSNQEOVKJD-UHFFFAOYSA-N
-rxn:4:222089:225166,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F)N1CCCC1,PAHFXWWIUFEFJZ-UHFFFAOYSA-N
-rxn:4:222089:225167,O=C(c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCCC1,VINUSKBOCGGVPB-UHFFFAOYSA-N
-rxn:4:222089:225168,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCOCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LSPLUCICDOPPCX-UHFFFAOYSA-N
-rxn:4:222089:225173,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1)N1CCCC1,NIESLGAVSQMLQS-UHFFFAOYSA-N
-rxn:4:222089:225180,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1)N1CCCC1,GPHASTOPNKZFDG-UHFFFAOYSA-N
-rxn:4:222089:225188,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(Cl)c(CN6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FTWYQOVJIFGSDF-UHFFFAOYSA-N
-rxn:4:222089:225198,O=C1C2N=NN(Cc3nc(-c4ccc(-c5c(F)cccc5OC5CCCCO5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FWOMZRPVQLFDJL-UHFFFAOYSA-N
-rxn:4:222089:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,MYMHXXAPXUJWRP-UHFFFAOYSA-N
-rxn:4:222089:225213,CN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,CWBJKXWDGAVITN-UHFFFAOYSA-N
-rxn:4:222089:225219,CC1CCCCN1c1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cn1,XOFDSJLNVAJZAG-UHFFFAOYSA-N
-rxn:4:222089:225228,CN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,DGWGCZOSXBCLRT-UHFFFAOYSA-N
-rxn:4:222089:225270,CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,GYOZWVWMGMMWNN-UHFFFAOYSA-N
-rxn:4:222089:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,PKXUPSDUHPWWDB-UHFFFAOYSA-N
-rxn:4:222089:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VQPQYRVEWIHGGD-UHFFFAOYSA-N
-rxn:4:222089:225299,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C)c1S(=O)(=O)N(C)C,JBJBQTTUYZMFLD-UHFFFAOYSA-N
-rxn:4:222089:225307,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6COC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,MLQZBIKUCRKYCP-UHFFFAOYSA-N
-rxn:4:222089:225318,O=C1C2N=NN(Cc3nc(-c4ccc(-c5c(F)cc(N6CCOCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GEPGAUHNXXCDNN-UHFFFAOYSA-N
-rxn:4:222089:225326,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,QODHQIKQJFWEQM-UHFFFAOYSA-N
-rxn:4:222089:225346,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N(C)C,BXXPRBWIGLCHRS-UHFFFAOYSA-N
-rxn:4:222089:225368,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc6c(c5)OC(F)(F)C(F)(F)O6)cc4)no3)C2C(=O)N1c1ccc(F)cc1,VUPLZWSYBIMPLY-UHFFFAOYSA-N
-rxn:4:222089:225385,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C(F)(F)F)nc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,STSKHDVTPJPAHW-UHFFFAOYSA-N
-rxn:4:222095:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C)cc56)C4)nc3)cc2F)CC1,NYIVLGPJZNKQSK-UHFFFAOYSA-N
-rxn:4:222102:222743,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1,ZZNZQBPFVFIBFX-UHFFFAOYSA-N
-rxn:4:222114:224329,Cc1nn(C)c2c(N3CCN(CC(=O)c4cccc(-c5ccc(C(=O)N6CCC(=O)CC6)c(F)c5)c4)CC3)ncnc12,PONOOVAYFZDUPN-UHFFFAOYSA-N
-rxn:4:222120:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,XYRSJQLERDXYAK-UHFFFAOYSA-N
-rxn:4:222144:222523,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,ILPIRXWMEDENTP-UHFFFAOYSA-N
-rxn:4:222156:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,IAJAYBXSFVEHLC-UHFFFAOYSA-N
-rxn:4:222165:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc(C(C)(C)C)nn5)CC4)nc3)c3ccccc23)CC1,SGLOFPNCMQWMMY-UHFFFAOYSA-N
-rxn:4:222174:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(C(=O)N3CC(n4ccnn4)C3)n(C)nc2c1,NVENLGJOBULWQE-UHFFFAOYSA-N
-rxn:4:222174:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)ccc2OC)CC1,BTPGAPLWICTNGO-UHFFFAOYSA-N
-rxn:4:222307:225196,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cc(Cl)c(F)c(OC7CCCC7)c6)c5)CC4C3)nn12,HNQZKXAFLJMJBJ-UHFFFAOYSA-N
-rxn:4:222331:222783,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)ccc1Cl,MXISEHVBKXLFID-UHFFFAOYSA-N
-rxn:4:222331:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1Cl,GLGDNBUWEDTMIH-UHFFFAOYSA-N
-rxn:4:222332:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,GTZFDXCVWIORHN-UHFFFAOYSA-N
-rxn:4:222333:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc1,AJDVJJDVPURROL-UHFFFAOYSA-N
-rxn:4:222334:225312,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCN(C)CC5)nc4)cn3)CC2)n1,OHTHVFOTOLGQPR-UHFFFAOYSA-N
-rxn:4:222367:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCN(c3ncnc4c3ncn4CC3CCCO3)CC2)nc1,JVTARXVWFAHNDL-UHFFFAOYSA-N
-rxn:4:222380:222585,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccccc6C(=O)NCCN6CCOCC6)cn5)CC4C3)ncnc21,USNNWNXXXVVQRD-UHFFFAOYSA-N
-rxn:4:222380:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)cc2C)CC1,SUKRIQGEMRDAOP-UHFFFAOYSA-N
-rxn:4:222389:199480,O=C(CC=NOCc1cnc(Cl)s1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CVCWMNONVCJHIN-UHFFFAOYSA-N
-rxn:4:222389:215927,c1c(-c2nc(C3CC3)cc(N3CCCCC3)n2)cc(C2CCNCC2)nc1C1CCNCC1,QQYLPNOSRPXMJD-UHFFFAOYSA-N
-rxn:4:222432:219903,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2[N+](=O)[O-])CC1,DXCRYULFLHJXQO-UHFFFAOYSA-N
-rxn:4:222511:214287,O=C(NC1CCCCC1)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc([N+](=O)[O-])c1,AHLLGHQMUYDKPI-UHFFFAOYSA-N
-rxn:4:222513:197797,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc2c(c1)CCC(S(N)(=O)=O)C2,KQXPUONIPOXJFS-UHFFFAOYSA-N
-rxn:4:222540:222380,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cn5)CC4C3)ncnc21,RHLLCLGWXFNADP-UHFFFAOYSA-N
-rxn:4:222580:204114,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CCCN(C2CCSCC2)CC1,YMOYZLXJPVIVEP-UHFFFAOYSA-N
-rxn:4:222581:187665,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c2ccccc12,KJHTWXAQSOLZBB-UHFFFAOYSA-N
-rxn:4:222743:187543,COc1cc(-c2ccc(C(C)N3CCC(O)CC3)cc2)cc(OC)c1CN1CCCC(C)C1,VXOZMBUCFFKIHE-UHFFFAOYSA-N
-rxn:4:222880:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(Cl)ccc2NC(=O)C(C)(C)C)cn1,GXPGHHJZIZNFMA-UHFFFAOYSA-N
-rxn:4:222882:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(F)ccc2C(=O)NC(C)(C)C)cn1,ISBAPPGDMVKHNE-UHFFFAOYSA-N
-rxn:4:222901:207854,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1,GTQDWUOQFVSSKR-UHFFFAOYSA-N
-rxn:4:222910:187414,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)c(C)c1,KDYRWPZNZBOANU-UHFFFAOYSA-N
-rxn:4:222940:215105,CC(C)(C)NS(=O)(=O)c1cncc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)c1,FWOJEKKKQKALER-UHFFFAOYSA-N
-rxn:4:223062:185100,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(C2CCNCC2)cc1F,UOJFUWXSECAPQB-UHFFFAOYSA-N
-rxn:4:223080:213979,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)cc1,BKKXJQPMTSKBLU-UHFFFAOYSA-N
-rxn:4:223102:187576,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,YNAWIDVQKIXMCJ-UHFFFAOYSA-N
-rxn:4:223540:195673,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(N)(=O)=O)c(Cl)c1,CRCQSVWOLQZCOZ-UHFFFAOYSA-N
-rxn:4:223570:185289,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)c3)c(F)ncc21,UYJDOKFELNOYAL-UHFFFAOYSA-N
-rxn:4:223671:209695,CC1(C)COC(c2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)=N1,OKJZDGOTQGAJHM-UHFFFAOYSA-N
-rxn:5:176587:225805:223063,CCOC(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1cc(F)nc(C2CCNCC2)c1,ZDPCULNWENPDDV-UHFFFAOYSA-N
-rxn:5:177185:226662:222996,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccc(F)cc1C1CCCNC1,OBDYATPZNBZGRM-UHFFFAOYSA-N
-rxn:5:177190:222990:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,VBVBMPMXDVQSDF-UHFFFAOYSA-N
-rxn:5:177190:225798:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(OC3CCOCC3)nc2)c1,GDWVJIBNXDOHDL-UHFFFAOYSA-N
-rxn:5:177190:225805:226187,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CCOCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,QZRACFGCVNTGIC-UHFFFAOYSA-N
-rxn:5:177190:225805:226645,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,JXRIZEFJNYWIJC-UHFFFAOYSA-N
-rxn:5:177190:226583:222991,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(-c2ccc(CN3CCOCC3)s2)c1,UAYQHOFUJUQNDJ-UHFFFAOYSA-N
-rxn:5:177193:225800:225639,CCOC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCSC3)cc2)cc1-c1cccnc1N1CCC(C)CC1,NVOGVIFEBOYIIJ-UHFFFAOYSA-N
-rxn:5:177373:225924:223138,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1OCC1OCCO1,DCXOONNNYQAPAW-UHFFFAOYSA-N
-rxn:5:177449:223002:225871,COc1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cccc(N3C(=O)C=CC3=O)c2)cc1OC(C)C,FZZVQBOMSCFVOO-UHFFFAOYSA-N
-rxn:5:177730:223062:225438,CC(c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,OJUWRMBINQBRPS-UHFFFAOYSA-N
-rxn:5:177730:223064:225439,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,LTQWHARGVJHYCW-UHFFFAOYSA-N
-rxn:5:177731:225805:226679,CC(c1ccc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)OC(C)(C)C)s1)N1CCOCC1,CDYCRVBPUBCEFI-UHFFFAOYSA-N
-rxn:5:177732:223018:226062,CC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)C)c1,VKDUKNNSFURDDO-UHFFFAOYSA-N
-rxn:5:177732:223294:225978,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCOCC3)nc2F)c1,OEVZCDINGISBJD-UHFFFAOYSA-N
-rxn:5:177732:226330:226649,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCOCC2)s1)N1CCCC1,RDXKBDOBKODJRY-UHFFFAOYSA-N
-rxn:5:177733:223062:225632,CN1CCN(c2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cnc(C5CCNCC5)cc4F)c3)c2)CC1,SZTPAHJVIRLCQM-UHFFFAOYSA-N
-rxn:5:177734:223131:226661,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,SEFFTQYYEAPOEO-UHFFFAOYSA-N
-rxn:5:177734:225601:222405,Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)cc1C(=O)OC(C)C,WBRHSFMGWBJGAD-UHFFFAOYSA-N
-rxn:5:177735:223294:225976,Cc1cc(C(=O)OC(C)C)cc(-c2csc(N3CCNCC3)n2)c1-c1ccnc(N2CCOCC2)c1F,XJSRDXRIGFFXEU-UHFFFAOYSA-N
-rxn:5:177735:225976:223294,Cc1cc(C(=O)OC(C)C)cc(-c2ccnc(N3CCOCC3)c2F)c1-c1csc(N2CCNCC2)n1,VRXYBOBJERQUDC-UHFFFAOYSA-N
-rxn:5:177737:226330:225982,CC(c1ccc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,SWXBMVAORFGULC-UHFFFAOYSA-N
-rxn:5:177738:225394:222405,COc1cc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1OC1CCC1,VBTXJXWCDYWCCS-UHFFFAOYSA-N
-rxn:5:177739:226330:223062,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cnc(C3CCNCC3)cc2F)s1)N1CCCC1,NSVWBNUECRLEST-UHFFFAOYSA-N
-rxn:5:177850:227710:226654,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1csc(N2CCC(C)CC2)n1,BRFAVTYTGYGRHW-UHFFFAOYSA-N
-rxn:5:177891:223189:226665,CS(=O)(=O)Nc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCCOC3)nc2)c(F)c1,DWOGLQKXXMWIQW-UHFFFAOYSA-N
-rxn:5:177891:223340:226661,CN1CCN(c2csc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc4c(c3)NCCO4)c2)CC1,GTURCTCOGXPDQI-UHFFFAOYSA-N
-rxn:5:177891:225798:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,MDOLCPVEOMHGAS-UHFFFAOYSA-N
-rxn:5:177891:225943:228879,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1COC1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,NMOCISIDCUTRRY-UHFFFAOYSA-N
-rxn:5:177891:226176:222420,NS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccncc1C1CCCCC1,PEGVTNZQYYTXJY-UHFFFAOYSA-N
-rxn:5:177891:227426:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCCO2)nc1,NDHNHGUBMVYXQD-UHFFFAOYSA-N
-rxn:5:177891:227449:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCOCC2)s1,ROJCAKOBTHPRFZ-UHFFFAOYSA-N
-rxn:5:177891:227449:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,UUGHAORIJMTICL-UHFFFAOYSA-N
-rxn:5:177891:227449:227426,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCCO2)nc1)c1ccccc1-c1ccc(C2CCOCC2)s1,REGPIXWKTHMHKB-UHFFFAOYSA-N
-rxn:5:177891:227654:228338,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCC2)s1)c1ccccc1-c1ccc(C2OCCO2)nc1,YFQKVOBXDWILQL-UHFFFAOYSA-N
-rxn:5:177891:227656:223312,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNC2)cc1)c1ccccc1-c1cc(N2CCOCC2)cs1,UULXRZOEUHTHKQ-UHFFFAOYSA-N
-rxn:5:177891:228097:227613,CN(C)Cc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnn(C3CCOCC3)c2)c1,FTPKFEFVODGKDO-UHFFFAOYSA-N
-rxn:5:177891:228623:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1sccc1C1CCC1,PPWPAGATZGLMDP-UHFFFAOYSA-N
-rxn:5:177970:223001:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3cc(C4CCCNC4)ccc3F)c2)c([N+](=O)[O-])s1,PXHOEXBTBWGUBP-UHFFFAOYSA-N
-rxn:5:178118:223008:227804,O=[N+]([O-])c1cc(-c2ccc(-c3cc(C4CCNCC4)ccc3F)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,JBYPCWCOHMOOOJ-UHFFFAOYSA-N
-rxn:5:178118:225671:227804,O=[N+]([O-])c1cc(-c2ccc(-c3cc(C4CCCCC4)ncc3F)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,BDOBGTCLYSGWCA-UHFFFAOYSA-N
-rxn:5:178120:225672:226464,COc1ccc2c(c1-c1c(OCC3CCOCC3)cccc1-c1cc(F)nc(C3CCCCC3)c1)OCCO2,BAZVAWJCQONIEP-UHFFFAOYSA-N
-rxn:5:178120:226335:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(C2COC2)c(C#N)c1,ZQEXNNHVGJMRER-UHFFFAOYSA-N
-rxn:5:178224:226778:227103,COc1cc(-c2cc(OCC3CCCCC3)cc(-c3sccc3C3CCCCC3)c2)c(F)c(F)c1OC,VJBBQTSGKMYFCV-UHFFFAOYSA-N
-rxn:5:178225:226181:226778,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3=CCCCC3)nc2)c(F)c(F)c1OC,WHBLWGZWVXUEFE-UHFFFAOYSA-N
-rxn:5:178226:223000:227804,O=[N+]([O-])c1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCCNC3)c(F)c2)c([N+](=O)[O-])s1,FLGYHESPSNCEME-UHFFFAOYSA-N
-rxn:5:178278:225633:225672,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,LZCHQYHHUVSNSW-UHFFFAOYSA-N
-rxn:5:178278:225636:225666,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2)c(C)cc1-c1ccnc(N2CCC(C)CC2)c1,WQSZYDHLOSHLOH-UHFFFAOYSA-N
-rxn:5:178278:225639:225634,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2)c(C)cc1-c1cccnc1N1CCC(C)CC1,OJYBAQUIZFSWTE-UHFFFAOYSA-N
-rxn:5:178295:223189:228119,COC(=O)C1(c2cc(-c3ccc(SC(C)C)nc3)ccc2-c2ccc(NS(C)(=O)=O)cc2F)CCC(=O)CC1,SCHACHDXTQXQMK-UHFFFAOYSA-N
-rxn:5:178295:223229:228274,COC(=O)C1(c2cc(-c3cc(SC)c(C)cc3F)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,PLKQEEFYCGIKDT-UHFFFAOYSA-N
-rxn:5:178295:223230:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,ANKVFIKVKQAQLY-UHFFFAOYSA-N
-rxn:5:178295:223230:227309,CCC(C)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,XBDWCPAUCNLRLT-UHFFFAOYSA-N
-rxn:5:178295:223269:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc(NC(C)=O)c(F)c2)CCC(=O)CC1,UFECTLDJTSRLBY-UHFFFAOYSA-N
-rxn:5:178295:223270:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,JQSQJOGBZYZCCE-UHFFFAOYSA-N
-rxn:5:178295:223358:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,YRHYQPFEHYLBAU-UHFFFAOYSA-N
-rxn:5:178295:225419:226154,CCOc1cc2ccccc2cc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,AJKMSFODNPHGFA-UHFFFAOYSA-N
-rxn:5:178295:225438:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,QGWNCSFLJYPNSF-UHFFFAOYSA-N
-rxn:5:178295:225594:228697,COCc1cc(-c2ccc(-c3ccc(F)cc3CN3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,NEJHYNIXGJUEPK-UHFFFAOYSA-N
-rxn:5:178295:226058:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,MABJXMOHSJADIA-UHFFFAOYSA-N
-rxn:5:178295:226058:227858,COC(=O)C1(c2cc(-c3cccc4c3CN(C)C4)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,AMAGUUKXJITKRZ-UHFFFAOYSA-N
-rxn:5:178295:226058:228927,COC(=O)C1(c2cc(-c3c(F)ccnc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,OPVNAFZLQAIWFR-UHFFFAOYSA-N
-rxn:5:178295:226058:228931,COC(=O)C1(c2cc(-c3ccc(F)nc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,OFXXXGQZMUKVHR-UHFFFAOYSA-N
-rxn:5:178295:226067:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,XPGXNNKXIFMBDQ-UHFFFAOYSA-N
-rxn:5:178295:226068:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,ZUEGIBHVXJHZKZ-UHFFFAOYSA-N
-rxn:5:178295:226069:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cccc(C3CCCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BDXXXJOHRRUSMT-UHFFFAOYSA-N
-rxn:5:178295:226085:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,CZOXWILVPTZLLV-UHFFFAOYSA-N
-rxn:5:178295:226148:223138,COC(=O)C1(c2cc(-c3ccnc(C4CCNCC4)c3)ccc2-c2cccc(C#C[Si](C)(C)C)c2)CCC(=O)CC1,RACDXPIPMCQUBU-UHFFFAOYSA-N
-rxn:5:178295:226154:228513,COC(=O)C1(c2cc(-c3ccccc3C3CC3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,CBZLSDDPPQJOSZ-UHFFFAOYSA-N
-rxn:5:178295:226322:228006,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,MBOWBPKPXPHFPW-UHFFFAOYSA-N
-rxn:5:178295:226322:228605,COC(=O)C1(c2cc(-c3cccc(C)c3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,XNMLWNDBNJCALN-UHFFFAOYSA-N
-rxn:5:178295:226330:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PXXMJZANZFSGMZ-UHFFFAOYSA-N
-rxn:5:178295:226334:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WFHMJCFUTJRHOU-UHFFFAOYSA-N
-rxn:5:178295:226334:228549,CCCc1ccc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,UUAYRIJBWUSRDG-UHFFFAOYSA-N
-rxn:5:178295:226579:228768,CCc1cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,OKPKIRJOSWZHDL-UHFFFAOYSA-N
-rxn:5:178295:226579:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2cc(F)cc(C(=O)N(C)C)c2)CCC(=O)CC1,NAUTVACLVPHUEU-UHFFFAOYSA-N
-rxn:5:178295:226580:228142,CCCc1cc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,IEAUPNTUGOQHMH-UHFFFAOYSA-N
-rxn:5:178295:226582:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KRMKKGORWZYING-UHFFFAOYSA-N
-rxn:5:178295:226589:227983,COC(=O)C1(c2cc(-c3ccccc3[Si](C)(C)C)ccc2-c2cc(C(F)F)ncc2C(C)C)CCC(=O)CC1,ZSKAEGZFUCLCML-UHFFFAOYSA-N
-rxn:5:178295:226589:228555,COCc1ccccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,BJDACOSLXQRCFC-UHFFFAOYSA-N
-rxn:5:178295:226772:228548,CCCc1cncc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,TVDYAXXSPZFNLT-UHFFFAOYSA-N
-rxn:5:178295:226910:226914,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DGTSARQUZDLPBS-UHFFFAOYSA-N
-rxn:5:178295:226911:227892,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(CN(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,GIWGYIHEQZVDDO-UHFFFAOYSA-N
-rxn:5:178295:226912:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,LJFPSNJLDLQQGQ-UHFFFAOYSA-N
-rxn:5:178295:226914:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ZQRLDDNQCDNFEC-UHFFFAOYSA-N
-rxn:5:178295:226914:228195,COC(=O)C1(c2cc(-c3cn(C(C)(C)C)nc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,MEDNWFGLMKGIMY-UHFFFAOYSA-N
-rxn:5:178295:226914:228623,COC(=O)C1(c2cc(-c3sccc3C3CCC3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,UGGVGQANOWKARE-UHFFFAOYSA-N
-rxn:5:178295:226914:228721,COC(=O)C1(c2cc(-c3ccnn3C(C)(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,RCIVCIXZMFXPOY-UHFFFAOYSA-N
-rxn:5:178295:226918:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,CCGOJHXITHKFAE-UHFFFAOYSA-N
-rxn:5:178295:226926:227839,COC(=O)C1(c2cc(-c3c(C)cccc3C3CC3)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,FGRDZGGAAHTGPG-UHFFFAOYSA-N
-rxn:5:178295:226968:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,QEOLHDWLQXTFFX-UHFFFAOYSA-N
-rxn:5:178295:226968:227058,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,KGPYEQXSGVFEEY-UHFFFAOYSA-N
-rxn:5:178295:226973:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,HJAAMPLPPAFVLF-UHFFFAOYSA-N
-rxn:5:178295:226974:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,BSAIEHHFPWWPBB-UHFFFAOYSA-N
-rxn:5:178295:227020:227309,CCC(C)c1cc(-c2ccc(-c3cncc(C#CC4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,UGEUVMVKYOLKGB-UHFFFAOYSA-N
-rxn:5:178295:227038:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,HGJMLNZSKYUXHG-UHFFFAOYSA-N
-rxn:5:178295:227038:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)C)ccc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,CHBFDTWIHAQYCZ-UHFFFAOYSA-N
-rxn:5:178295:227043:227313,CCC(C)c1cc(-c2ccc(-c3ccc(OC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,RGRSJRQNEALQAH-UHFFFAOYSA-N
-rxn:5:178295:227052:228019,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,ICGDYNIQUCALHO-UHFFFAOYSA-N
-rxn:5:178295:227059:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)c(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZSEWGMCIOLRZAQ-UHFFFAOYSA-N
-rxn:5:178295:227065:223286,COC(=O)C1(c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,HDKKFSQUUPETER-UHFFFAOYSA-N
-rxn:5:178295:227065:228721,COC(=O)C1(c2cc(-c3ccnn3C(C)(C)C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,LKYRDXHKBUSOKM-UHFFFAOYSA-N
-rxn:5:178295:227068:228275,COC(=O)C1(c2cc(-c3cc(C)cc(F)c3OC)ccc2-c2ccc(CC(C)C)cc2F)CCC(=O)CC1,XAAPMGBJDJCQMR-UHFFFAOYSA-N
-rxn:5:178295:227069:228629,COC(=O)C1(c2cc(-c3ccc(C4CCC4)s3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,JYWLUQRZQLTYNQ-UHFFFAOYSA-N
-rxn:5:178295:227071:228344,COCc1cc(C)c(-c2ccc(-c3ccc(SC(F)F)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,AIINNHFEQJVDPM-UHFFFAOYSA-N
-rxn:5:178295:227075:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,OBBSMZDLKJOMHO-UHFFFAOYSA-N
-rxn:5:178295:227077:223345,CCC(C)c1ccc(-c2ccc(-c3cccc4c3NC(=O)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,WKTRRDUVKWPHPR-UHFFFAOYSA-N
-rxn:5:178295:227077:223356,CCC(C)c1ccc(-c2ccc(-c3cccc(C(=O)NC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LKURHQWCIGKFOK-UHFFFAOYSA-N
-rxn:5:178295:227077:226589,CCC(C)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,YPPIEEZJIQMXTL-UHFFFAOYSA-N
-rxn:5:178295:227078:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(OC)ccc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HDQYXXMIKKMKRJ-UHFFFAOYSA-N
-rxn:5:178295:227079:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,YTBHCSCOTFODAG-UHFFFAOYSA-N
-rxn:5:178295:227079:228803,COC(=O)C1(c2cc(-c3cc([Si](C)(C)C)cs3)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,IEAIBKKEUBPAPJ-UHFFFAOYSA-N
-rxn:5:178295:227107:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,TVOUDPPQGDPSDH-UHFFFAOYSA-N
-rxn:5:178295:227183:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc3c(c2)CN(C)C3=O)CCC(=O)CC1,ZSRKSQFLTDRRJJ-UHFFFAOYSA-N
-rxn:5:178295:227206:228154,COC(=O)C1(c2cc(-c3c(OC)cccc3OC)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,NKDIWNJRTPSQBU-UHFFFAOYSA-N
-rxn:5:178295:227294:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C)cnc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,JNLJINUXXNQSMX-UHFFFAOYSA-N
-rxn:5:178295:227298:227810,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,DICDMFFYAPZUES-UHFFFAOYSA-N
-rxn:5:178295:227304:227815,CCC(C)c1ccccc1-c1ccc(-c2cnc(OC(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,NLTUYZMMUCUBQA-UHFFFAOYSA-N
-rxn:5:178295:227309:227816,CCCc1ccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,PURLGZBSPLJPIP-UHFFFAOYSA-N
-rxn:5:178295:227309:227827,CCC(C)c1cc(-c2ccc(-c3cc(C4CC4)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,QNINUFRUONWLAT-UHFFFAOYSA-N
-rxn:5:178295:227309:228154,CCC(C)c1cc(-c2ccc(-c3c(OC)cccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,DWNPVCALHFFIDE-UHFFFAOYSA-N
-rxn:5:178295:227317:227817,COC(=O)C1(c2cc(-c3ccccc3CC(C)C)ccc2-c2ccnc(OC(C)(C)C)c2)CCC(=O)CC1,KFNZLLGYNKKQBG-UHFFFAOYSA-N
-rxn:5:178295:227322:227914,COC(=O)C1(c2cc(-c3ccccc3OC(C)C)ccc2-c2cncc(C(C)C)c2OC)CCC(=O)CC1,SLXQWQSNQNVPNJ-UHFFFAOYSA-N
-rxn:5:178295:227329:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,JAJJZVOGFNQQAV-UHFFFAOYSA-N
-rxn:5:178295:227346:223358,CCCc1cc(F)c(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NSCSMHJLWGLHSR-UHFFFAOYSA-N
-rxn:5:178295:227350:227997,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3F)ccc2-c2c(OC)cc(C)cc2OC)CCC(=O)CC1,XEZGUJZHFVQEKK-UHFFFAOYSA-N
-rxn:5:178295:227361:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,GXEMJMFDNXRWQE-UHFFFAOYSA-N
-rxn:5:178295:227362:227932,CCOc1cc(C)cc(F)c1-c1ccc(-c2cc(COC)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,AOXZIHWFKZYOTF-UHFFFAOYSA-N
-rxn:5:178295:227520:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(OC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CGBWOBFWGMZGPS-UHFFFAOYSA-N
-rxn:5:178295:227530:227346,CCCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,QRZSAGRKRGKRGN-UHFFFAOYSA-N
-rxn:5:178295:227704:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,IBIIOPPRQJMOOE-UHFFFAOYSA-N
-rxn:5:178295:227808:227049,CCOc1c(C)cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,RFRHJFHIWBDYGM-UHFFFAOYSA-N
-rxn:5:178295:227810:227330,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SLHSAQRGVJKUPL-UHFFFAOYSA-N
-rxn:5:178295:227810:227704,CCC(C)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,LTJKGNXMZLBJJS-UHFFFAOYSA-N
-rxn:5:178295:227810:228346,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FCAGTBVUQRXOOP-UHFFFAOYSA-N
-rxn:5:178295:227816:226924,CCCc1ccc(-c2ccc(-c3cc(C)cc(C4CC4)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,IWYQSESNZJVVEH-UHFFFAOYSA-N
-rxn:5:178295:227822:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2c(C)cccc2C(C)C)CCC(=O)CC1,VYWVYJXBZSHPBL-UHFFFAOYSA-N
-rxn:5:178295:227831:226191,CCc1c(C)cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,SGTUCAGMYVQNSS-UHFFFAOYSA-N
-rxn:5:178295:227837:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2cc(C)cc(C3CC3)c2)CCC(=O)CC1,XTDHEPIFGVIGTJ-UHFFFAOYSA-N
-rxn:5:178295:228105:227068,CCN(C)c1cc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,RBZQYPVAZMVWMV-UHFFFAOYSA-N
-rxn:5:178295:228141:227330,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,CZRIFKDDHAHAIG-UHFFFAOYSA-N
-rxn:5:178295:228177:226912,COCc1ccc(F)cc1-c1ccc(-c2cc(C)cc(CC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,IEDRHYJEWLRVIM-UHFFFAOYSA-N
-rxn:5:178295:228178:227534,CCOc1cc(F)c(-c2ccc(-c3cc(COC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ZFYDDNNAPFOJDS-UHFFFAOYSA-N
-rxn:5:178295:228181:226580,COCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HYDZAVMUDNGDCE-UHFFFAOYSA-N
-rxn:5:178295:228181:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(F)cc3COC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,FSVUKMQIXDIQDU-UHFFFAOYSA-N
-rxn:5:178295:228182:227706,COC(=O)C1(c2cc(-c3cc(OC)cnc3C(F)F)ccc2-c2cccc(CC(F)F)c2)CCC(=O)CC1,JDSJOEDIXOHSPY-UHFFFAOYSA-N
-rxn:5:178295:228219:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2cnc(C(C)C)cc2F)CCC(=O)CC1,PNRXIZSCINKXCM-UHFFFAOYSA-N
-rxn:5:178295:228258:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,HNXDFLNYRHTJPN-UHFFFAOYSA-N
-rxn:5:178295:228268:227704,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3OC)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,IOUSBXDZCQTGPJ-UHFFFAOYSA-N
-rxn:5:178295:228279:227075,CCc1cc(F)c(-c2ccc(-c3cc(OC)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,UNPYGYNFOVCOIA-UHFFFAOYSA-N
-rxn:5:178295:228387:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2cn(C)c(=O)cc2OC)CCC(=O)CC1,BEMBOKZEUUCNQP-UHFFFAOYSA-N
-rxn:5:178295:228416:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(F)cc(F)cc2OC)CCC(=O)CC1,YKZHQUATMURIOC-UHFFFAOYSA-N
-rxn:5:178295:228464:227309,CCC(C)c1cc(-c2ccc(-c3cncc(OC(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,WPQWRWTUCAXXMW-UHFFFAOYSA-N
-rxn:5:178295:228504:226147,COC(=O)C1(c2cc(-c3c(C)cc(OC(C)C)cc3C)ccc2-c2cccc3c2CCC3)CCC(=O)CC1,KKSCHODVQOODKQ-UHFFFAOYSA-N
-rxn:5:178295:228527:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2cccc3c2OCC3)CCC(=O)CC1,NEMVWTPUDYSBIP-UHFFFAOYSA-N
-rxn:5:178295:228553:226062,CCSc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DPPNLCHOPXSFAN-UHFFFAOYSA-N
-rxn:5:178295:228555:226603,COCc1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,IEOUVMTWUXTCMP-UHFFFAOYSA-N
-rxn:5:178295:228562:227102,CCC(C)c1csc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VBYMJPLNZBGQDC-UHFFFAOYSA-N
-rxn:5:178295:228567:226144,CCC(C)c1sccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,FXAFIAYSULLAPA-UHFFFAOYSA-N
-rxn:5:178295:228571:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2ccc(N(C)C)cc2)CCC(=O)CC1,KEGZUHOESXNIAB-UHFFFAOYSA-N
-rxn:5:178295:228613:226769,CCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,AOUNKYLUWGMCCA-UHFFFAOYSA-N
-rxn:5:178295:228622:226345,CCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)OC)c(C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,CVIFFSCROXEOHO-UHFFFAOYSA-N
-rxn:5:178295:228697:225593,COCc1cc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,CUUWZBZCLNNNCY-UHFFFAOYSA-N
-rxn:5:178295:228759:222960,COC(=O)C1(c2cc(-c3cc(C)cc(C4CCNCC4)c3)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,XIUKFACWXKAHAS-UHFFFAOYSA-N
-rxn:5:178295:228871:227311,CCC(C)c1cc(F)c(-c2ccc(-c3sccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,HMPFVYRYKJJSBZ-UHFFFAOYSA-N
-rxn:5:178295:228872:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccsc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DSUAGJHMCYUKHS-UHFFFAOYSA-N
-rxn:5:178295:229089:226579,COC(=O)C1(c2cc(-c3cc(F)cc(C(=O)N(C)C)c3)ccc2-c2ccsc2C(C)=O)CCC(=O)CC1,OREDIIRLWHQGTO-UHFFFAOYSA-N
-rxn:5:178314:227803:226665,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cnc(C3CCCOC3)nc2)c(O[Si](C)(C)C(C)(C)C)c1,YCJQCSYNVLLVIV-UHFFFAOYSA-N
-rxn:5:178353:225633:225634,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2C)ccc1-c1cnc(N2CCCCC2)c(C)c1,KXECGNXUTCELMO-UHFFFAOYSA-N
-rxn:5:178368:225633:225656,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4C)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,CYSKNDPDFFNZLE-UHFFFAOYSA-N
-rxn:5:178466:225982:225652,CC1CCCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cnc(N6CCOCC6)cc5F)ccc34)c2)C1,JEMCMEQLXHHPSQ-UHFFFAOYSA-N
-rxn:5:178467:222980:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,LGXUTJCMDJFKPF-UHFFFAOYSA-N
-rxn:5:178467:222981:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,WRODZRDURZPGQP-UHFFFAOYSA-N
-rxn:5:178467:223063:228317,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)OC)nc3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,AZOHEGDHGSQRAS-UHFFFAOYSA-N
-rxn:5:178467:223065:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,UDYKBNNUWJWZSS-UHFFFAOYSA-N
-rxn:5:178467:223140:227302,CCOC(=O)C1=Cc2cc(-c3cnc(OC(C)C)c(C)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,LSKKKRCBDSBEQG-UHFFFAOYSA-N
-rxn:5:178467:223378:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cnc4c(c3)NCCO4)c2OC1,JTRLEJWJEKFVSN-UHFFFAOYSA-N
-rxn:5:178467:225439:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cccc(C(C)N4CCCC4)c3)c2OC1,DJBLRQATRITCKM-UHFFFAOYSA-N
-rxn:5:178467:225499:228393,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(F)c3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,IQPYZKBAOJDNEI-UHFFFAOYSA-N
-rxn:5:178467:225515:227491,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCC4)nc3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,RMVGDFZRKCTPNV-UHFFFAOYSA-N
-rxn:5:178467:225576:223377,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)CC(=O)N4)cc(-c3ccc(N4CCCC4)c(C#N)c3)c2OC1,NUZLETWWFKEWLC-UHFFFAOYSA-N
-rxn:5:178467:225602:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,IWPGJSXSPLXMBL-UHFFFAOYSA-N
-rxn:5:178467:225602:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,APNIUEFFPXIZKP-UHFFFAOYSA-N
-rxn:5:178467:225633:227909,CCOC(=O)C1=Cc2cc(-c3ccnc(C(C)CC)c3)cc(-c3ccc(N4CCCCCC4)nc3)c2OC1,WSVNKFSUMZKDAS-UHFFFAOYSA-N
-rxn:5:178467:225636:228071,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCCO4)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,BVMSROACZPZDTA-UHFFFAOYSA-N
-rxn:5:178467:225833:228099,CCOC(=O)C1=Cc2cc(-c3cncc(N(C)CC)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,BEVAPUGTKVJDKC-UHFFFAOYSA-N
-rxn:5:178467:225834:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,UTCTUOUQEXNXDI-UHFFFAOYSA-N
-rxn:5:178467:225980:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,FELOUZLITXSUEW-UHFFFAOYSA-N
-rxn:5:178467:226148:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,UZMWVKOYLLNYSP-UHFFFAOYSA-N
-rxn:5:178467:226424:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cc(N4CCCC(C)C4)cs3)c2OC1,AGXZUDQATZTXKY-UHFFFAOYSA-N
-rxn:5:178467:226645:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,ADHXARNEMJEQEW-UHFFFAOYSA-N
-rxn:5:178467:226661:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,JHQTWUXDHIQBKN-UHFFFAOYSA-N
-rxn:5:178467:226794:227297,CCOC(=O)C1=Cc2cc(-c3cc(CN(C)C)ccc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,DYOYTKMWJHJTFP-UHFFFAOYSA-N
-rxn:5:178467:227019:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cccc(C(C)(C)C#N)c3)c2OC1,BULRVSXGMLJIMI-UHFFFAOYSA-N
-rxn:5:178467:227506:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,HXMSIEMENRGNSB-ZRDIBKRKSA-N
-rxn:5:178467:227546:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cccc(C(=O)OC)c3F)c2OC1,NQCXLMUMDYBIBS-UHFFFAOYSA-N
-rxn:5:178467:227569:225499,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3c(OC)ccc(F)c3OC)c2OC1,BRCFMQWIFMFFOJ-UHFFFAOYSA-N
-rxn:5:178467:227803:227626,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,GKIOFWRETJLUJC-UHFFFAOYSA-N
-rxn:5:178467:227897:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cccc(C=CC#N)c3)c2OC1,BLMVXNDHCYXOSK-UHFFFAOYSA-N
-rxn:5:178467:228062:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cncc4c3CCCO4)c2OC1,FPNSBVHIELEGQM-UHFFFAOYSA-N
-rxn:5:178467:228097:225874,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(N4CCOCC4)c3)cc(-c3cncc(CN(C)C)c3)c2OC1,MZDCTAFDBCKUBO-UHFFFAOYSA-N
-rxn:5:178467:228457:223007,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCNCC4)c3)cc(-c3cnc(C(=O)OC)nc3)c2OC1,YMIDUDLOIVTXSC-UHFFFAOYSA-N
-rxn:5:178467:228692:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(CN(C)C)s3)c2OC1,ZSKVKDQAADPVNY-UHFFFAOYSA-N
-rxn:5:178467:228974:222989,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,KKNUSFGPOONKEP-UHFFFAOYSA-N
-rxn:5:178467:228974:225799,CCOC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,WPSOCLBADSYDRF-UHFFFAOYSA-N
-rxn:5:179418:225799:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cncc(OC3CCOCC3)c2)s1)N1CCOCC1,JGJPOMVYMJJNKR-UHFFFAOYSA-N
-rxn:5:179418:225805:223054,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCOCC1,ZDIFCINOHBZTGQ-UHFFFAOYSA-N
-rxn:5:179418:225805:225585,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2CN2CCOCC2)s1)N1CCOCC1,OBKWPIAAICZNHJ-UHFFFAOYSA-N
-rxn:5:179418:225809:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cc(F)ccc2OC2CCOC2)s1)N1CCOCC1,DERIGKNJIYITEU-UHFFFAOYSA-N
-rxn:5:179629:223065:225849,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,PBSXFUYPMRMZDY-UHFFFAOYSA-N
-rxn:5:179629:223065:226661,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,QYAKBVMMWSZWPL-UHFFFAOYSA-N
-rxn:5:179629:223147:225805,COc1ccc(-c2ccc(C3CNCCO3)cc2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCOCC2)s1,QPMCZIFPNGWKTP-UHFFFAOYSA-N
-rxn:5:179629:225636:225849,COc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,IKXIYEPCVOEPMJ-UHFFFAOYSA-N
-rxn:5:179629:225833:225985,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cccc(N2CCCS2(=O)=O)c1,RZZJXXDAJVGNHX-UHFFFAOYSA-N
-rxn:5:179629:225833:225986,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O,UCPUJCBXGQCSHN-UHFFFAOYSA-N
-rxn:5:179629:225833:226662,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccc(N2CCN(C)CC2)s1,QQHSHAONGZCQTK-UHFFFAOYSA-N
-rxn:5:179629:225834:225986,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O,BUMATDLBXMVMDV-UHFFFAOYSA-N
-rxn:5:179629:225834:225987,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,NJJBFYJHXDULQE-UHFFFAOYSA-N
-rxn:5:179629:225834:226661,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,ICFNHFWBYXWHHK-UHFFFAOYSA-N
-rxn:5:179629:225849:225985,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cccc(N2CCCS2(=O)=O)c1,QFSHVQFXMBKSDP-UHFFFAOYSA-N
-rxn:5:179629:225849:225986,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O,ZDTKBHRIQZXBBO-UHFFFAOYSA-N
-rxn:5:179629:225849:226427,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(N2CCC(C)CC2)cs1,GHSOLAOVYCYDQK-UHFFFAOYSA-N
-rxn:5:179629:225849:226662,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCN(C)CC2)s1,LIUROMDKCJSSKZ-UHFFFAOYSA-N
-rxn:5:179629:225982:226661,COc1ccc(-c2cnc(N3CCOCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,AXJOYWDWQHPSND-UHFFFAOYSA-N
-rxn:5:180021:225926:223294,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C2OCCO2)cc1-c1csc(N2CCNCC2)n1,JDNLROHDWMGOJF-UHFFFAOYSA-N
-rxn:5:180021:225987:226662,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCN(C)CC2)s1,YFHYGZKIQLLARR-UHFFFAOYSA-N
-rxn:5:180022:222996:226382,COc1c(-c2cnc(C3CCCCC3)nc2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,CDGRZWNHZYQZBN-UHFFFAOYSA-N
-rxn:5:180022:222996:226665,COc1c(-c2cnc(C3CCCOC3)nc2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,HAIYPEJCWDBDDJ-UHFFFAOYSA-N
-rxn:5:180022:222996:227613,COc1c(-c2cnn(C3CCOCC3)c2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,TUWBLETUIAOVQN-UHFFFAOYSA-N
-rxn:5:180022:225986:227449,COc1c(-c2ccc(C3CCOCC3)s2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,WCBWDRJKJQTZGP-UHFFFAOYSA-N
-rxn:5:180402:222421:223054,CC(c1ccc(-c2cc(-c3cncc(S(N)(=O)=O)c3)ccc2C(=O)C2CCCCC2)s1)N1CCC(O)C1,FIBXRTNAEJVFOW-UHFFFAOYSA-N
-rxn:5:180662:223139:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,IDTCVPODLQOWOQ-UHFFFAOYSA-N
-rxn:5:180662:226794:226747,CCc1ncc(-c2cc3c(c(-c4cnc(N5CCSCC5)nc4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,DVGWJWLTZXCSAN-UHFFFAOYSA-N
-rxn:5:181624:225832:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1OCCO1,XPTZWPKVCRFGJE-UHFFFAOYSA-N
-rxn:5:181630:225677:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(C3CCCCC3)nc2F)cccc1C1OCCO1,KEFISCGYFMCRGH-UHFFFAOYSA-N
-rxn:5:181906:222981:225639,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,JJTUSFNQTFMWOG-UHFFFAOYSA-N
-rxn:5:181907:222998:225832,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,YIAWBWSEXLTBPL-UHFFFAOYSA-N
-rxn:5:181907:225438:222987,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,HWUMMWLXAIGMMN-UHFFFAOYSA-N
-rxn:5:181908:226686:222998,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1C1OCCO1,HIPHZCZKSRCXOY-UHFFFAOYSA-N
-rxn:5:182010:223062:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cnc(C3CCNCC3)cc2F)c1,LCRHYWCQEQMSLL-UHFFFAOYSA-N
-rxn:5:182010:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1C1CCOCC1,UKBUNDCGEUFWIZ-UHFFFAOYSA-N
-rxn:5:182011:222987:222960,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCNCC2)c1,QPYOEPSMHJODEG-UHFFFAOYSA-N
-rxn:5:182011:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cncc(C2CCCNC2)c1,SUJWGZPVVZXLLL-UHFFFAOYSA-N
-rxn:5:182012:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCC2)c(C2CCCOC2)c1,KQOCREMCLWPNCU-UHFFFAOYSA-N
-rxn:5:182013:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)cs2)c(C2CCOCC2)c1,SSJVDDFFIFFLTK-UHFFFAOYSA-N
-rxn:5:183189:225683:222996,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(F)cc2C2CCCNC2)cc2c1OC(C)(C)OC2,BDVQEYACPXTCBG-UHFFFAOYSA-N
-rxn:5:183189:225683:223002,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OC(C)(C)OC2,LKQANASMOMNVPY-UHFFFAOYSA-N
-rxn:5:183189:226686:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc2c1OC(C)(C)OC2,RWHYGMIYIKZJGF-UHFFFAOYSA-N
-rxn:5:188448:226772:225982,COC(=O)c1cc(F)c(-c2cc([N+](=O)[O-])c(-c3cnc(N4CCOCC4)cc3F)cc2C(=O)OC)c(F)c1,GSQSQXMXLWDANZ-UHFFFAOYSA-N
-rxn:5:188460:225514:223133,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2N2CCNCC2)cc1-c1cccc2c1OCC1(CC1)CO2,UMKHLDDQOMJDIQ-UHFFFAOYSA-N
-rxn:5:188930:223146:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CNCCO3)c2)cc1-c1cccnc1N1CCC(C)CC1,KHVJAJPQUNZLKC-UHFFFAOYSA-N
-rxn:5:188930:226139:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cccnc1N1CCC(C)CC1,WBEQHZDTZBUFRE-UHFFFAOYSA-N
-rxn:5:188930:227449:227449,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)s2)cc1-c1ccc(C2CCOCC2)s1,KRPBSMPTQRFJIS-UHFFFAOYSA-N
-rxn:5:188931:225456:227784,COC(=O)c1cc(-c2ccc(C3CCN(C)CC3)cc2)cc(S(N)(=O)=O)c1-c1cc(F)c(F)c([N+](=O)[O-])c1,XFIRIOSJFLBVGW-UHFFFAOYSA-N
-rxn:5:188932:223056:223141,COC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)c(S(N)(=O)=O)c(-c2cncc(C3CCNCC3)c2)c1,GJCDJPJQSRMDHE-UHFFFAOYSA-N
-rxn:5:188932:227656:223135,COC(=O)c1cc(-c2cc(N3CCOCC3)cs2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,KHSDWNFEUXRYPG-UHFFFAOYSA-N
-rxn:5:189207:227124:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1C(=O)ON1C(=O)CCC1=O,JORUYUGGIWKWOE-UHFFFAOYSA-N
-rxn:5:189207:227523:227491,COC(=O)c1cnc(C)cc1-c1ccc(-c2cnc(OC3CCC3)nc2)c(C(=O)ON2C(=O)CCC2=O)c1,HLUYRGACRNCOKI-UHFFFAOYSA-N
-rxn:5:189208:228122:225849,CCOc1nc(C)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cnc(N3CCCCC3)cc2F)c1,DKSHYLXHFZYJAW-UHFFFAOYSA-N
-rxn:5:189208:228122:226679,CCOc1nc(C)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cnc(N3CCCC3)cc2F)c1,XRNQIHUNLZZVMZ-UHFFFAOYSA-N
-rxn:5:189208:228680:226679,CCCn1nc(C)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cnc(N3CCCC3)cc2F)c1,ZRCRUGJRNLFYSP-UHFFFAOYSA-N
-rxn:5:189209:226923:227419,Cc1cc(C2CC2)c(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCC3)nc2F)c1,HHFQBQCRSRXITD-UHFFFAOYSA-N
-rxn:5:189210:223056:228337,CCOc1cc(F)c(-c2cccc(-c3ccc(N4CCC(O)CC4)nc3)c2C(=O)ON2C(=O)CCC2=O)cn1,CXRJHPZAWRRGCD-UHFFFAOYSA-N
-rxn:5:189211:228320:226849,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccnc(OC)c2C(F)(F)F)ccn1,IUAIXEUWQFVMGP-UHFFFAOYSA-N
-rxn:5:189322:226059:223082,CNS(=O)(=O)c1c(C)cc(-c2ncc(-c3ccc(C(C)C)cc3C(C)C)cc2C(=O)OC(C)(C)C)cc1C,TUKLUTHJYUMTHG-UHFFFAOYSA-N
-rxn:5:189538:226154:225871,COc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)N(C)C(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,JDCMNIHSXFLDBB-UHFFFAOYSA-N
-rxn:5:189539:223018:226589,CC(C)c1cnc(C(F)F)cc1-c1c(C(=O)N(C)C(C)C)cccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,ZYSYVQACLZYCFJ-UHFFFAOYSA-N
-rxn:5:189827:223189:227048,CC(C)C(=O)c1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(NS(C)(=O)=O)cc2F)cc1,KKESMPQDLUCAOD-UHFFFAOYSA-N
-rxn:5:189829:227656:225925,COc1c(-c2cc(N3CCOCC3)cs2)cc(C(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N(C)C)ccc1C,QIDQSAFPOBDJMV-UHFFFAOYSA-N
-rxn:5:189952:223006:223113,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,DBSZZERNWUFOGY-UHFFFAOYSA-N
-rxn:5:189952:227684:227316,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2OCCO2)c1,OOOJEYBLXCCUNJ-UHFFFAOYSA-N
-rxn:5:190000:228567:225507,CCC(C)c1sccc1-c1cc(-c2ccc3c(c2)CCC3C(=O)OC)ccc1CC(=O)N1CCCCC1,GHIBMYPMSKOFOG-UHFFFAOYSA-N
-rxn:5:190001:223286:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cccc(NS(C)(=O)=O)c1,OYOQAKHBPQTOCB-UHFFFAOYSA-N
-rxn:5:190194:226064:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2)cc(F)c1OC,IUWJGDVALZHKBZ-UHFFFAOYSA-N
-rxn:5:190194:226150:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCC3)c2)c1OC,UUDTVEUFXWSIGH-UHFFFAOYSA-N
-rxn:5:190196:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,HWJCDMNOTZEHEU-UHFFFAOYSA-N
-rxn:5:190196:227684:223113,CN(Cc1ccc(-c2cnn(CC3OCCO3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ZMRCSBRTJRXYTQ-UHFFFAOYSA-N
-rxn:5:190197:223113:226571,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,YFQIDIFYIGBDLG-UHFFFAOYSA-N
-rxn:5:190199:223113:225803,CN(Cc1cc(-c2ccnc(OC3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,HHRLCDXQAVHJHD-UHFFFAOYSA-N
-rxn:5:190199:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnn(CC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,QFDGKIXCKFRWNH-UHFFFAOYSA-N
-rxn:5:190201:226411:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(-c3ccc(N4CCOCC4)cc3)cc2CCN2CCOC(C)C2)c1,QPGQPUFMAULQMH-UHFFFAOYSA-N
-rxn:5:190231:226733:226737,COc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C(F)(F)F)c(C#N)c1,NIYQLCIMDFORBL-UHFFFAOYSA-N
-rxn:5:190264:227815:226140,CCC(C)c1ccccc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1cc(C(C)(C)C)ccc1OC,KWYHJFBXIYWILK-UHFFFAOYSA-N
-rxn:5:190484:226649:228895,O=C(c1cccc(-c2cccnc2N2CCOCC2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,OLZUQRCCIAWHQQ-UHFFFAOYSA-N
-rxn:5:190484:226927:227409,Cc1c(C)c(C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(C)c1C,OFLPNZWXRAIOCY-UHFFFAOYSA-N
-rxn:5:190484:227311:228220,CCC(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,BBCKNVGWCVNTAO-UHFFFAOYSA-N
-rxn:5:190484:227946:227415,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cn1,QDTPJSYWWVUTKF-UHFFFAOYSA-N
-rxn:5:190484:227957:227319,Cc1nc(C(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ncc3F)S(=O)(=O)CC2)c1,UGVPSAQSLHATNG-UHFFFAOYSA-N
-rxn:5:190484:228868:223138,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNCC5)c4)S(=O)(=O)CC3)c2)s1,VFTDBHRHJNJDJE-UHFFFAOYSA-N
-rxn:5:190740:223056:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(N2CCOCC2)cc1F,CHLGDNJNNRRZCM-UHFFFAOYSA-N
-rxn:5:190740:223061:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,RTSBIJQJSRXJHP-UHFFFAOYSA-N
-rxn:5:190740:225980:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,QKYOETVHAQCOEV-UHFFFAOYSA-N
-rxn:5:190742:223061:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCNCC2)cc1F,GJGAPXPPZQQKQI-UHFFFAOYSA-N
-rxn:5:190742:223061:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cnc(N2CCCCC2)cc1F,ZDXQGWUNACBPAF-UHFFFAOYSA-N
-rxn:5:190742:225849:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,VXMBPIJTBOULDU-UHFFFAOYSA-N
-rxn:5:190742:225976:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCOCC2)nc1F,FJKKVDONTWXTES-UHFFFAOYSA-N
-rxn:5:190743:225976:226662,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,UDMDEVBVIBNTNL-UHFFFAOYSA-N
-rxn:5:190743:225982:226662,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,ZCWLXVJODCLKHI-UHFFFAOYSA-N
-rxn:5:190795:225515:226062,CC(C)c1cc(-c2ccc3c(-c4cccc5c4OCC(C)(C)CO5)cn(C(=O)OC(C)(C)C)c3c2)cc(C(C)C)c1,YXONFTBDOLACKF-UHFFFAOYSA-N
-rxn:5:190797:225453:226149,COc1ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)cc3c2ccn3C(=O)OC(C)(C)C)cc1C(C)(C)C,PMMAEUPNFPQTMD-UHFFFAOYSA-N
-rxn:5:190797:226154:225450,COc1cc(C(C)(C)C)ccc1-c1cc(-c2ccc(C(=O)C3CCCC3)cc2)c2ccn(C(=O)OC(C)(C)C)c2c1,PUQYFZGZRUJFDM-UHFFFAOYSA-N
-rxn:5:190798:223018:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc2c(c1)c(-c1ccc3c(c1)NC(=O)C(C)(C)O3)cn2C(=O)OC(C)(C)C,WQACZICDZCHJLX-UHFFFAOYSA-N
-rxn:5:190799:226062:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2-c2cc(C(C)C)cc(C(C)C)c2)cc1C,NRKFPDDNAQXWDI-UHFFFAOYSA-N
-rxn:5:190833:227286:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,LJOGGLDZDVAKAV-UHFFFAOYSA-N
-rxn:5:190833:227498:223061,COc1cc(N(C)C)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,KKCCZUFOLYCRLJ-UHFFFAOYSA-N
-rxn:5:190833:227823:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccccc2C(C)(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,WMKJQZGYFKMDID-UHFFFAOYSA-N
-rxn:5:190833:227964:227288,CN(C)C(=O)c1ccccc1-c1ccc(-c2cncc(C3(C)CC3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,KKCINHSYZHBFFO-UHFFFAOYSA-N
-rxn:5:190859:226058:227935,CCc1cc(-c2c(-c3c(C(C)C)cccc3C(C)C)ccc3c2CCN3C(=O)OC(C)(C)C)ccc1OC,VRBBHQRDLOKJRU-UHFFFAOYSA-N
-rxn:5:190859:226926:227065,Cc1cc(C(C)(C)C)ccc1-c1ccc2c(c1-c1cccc(C(=O)C(C)C)c1)CCN2C(=O)OC(C)(C)C,IPPHHQONWTZEMT-UHFFFAOYSA-N
-rxn:5:190859:227048:227088,Cc1cc(-c2c(-c3ccc(C(=O)C(C)C)cc3)ccc3c2CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)n1,PTPALZPORLARQW-UHFFFAOYSA-N
-rxn:5:190998:227935:226582,CCc1cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(=O)N(C)C)cc4F)cc2C(=O)OC)C(=O)CO3)ccc1OC,MVHWAHOUEYQQSC-UHFFFAOYSA-N
-rxn:5:192236:225607:223135,COc1cc(-c2cccnc2C2CCCNC2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCCCC2)s1,TZAMMBHYGJYLRN-UHFFFAOYSA-N
-rxn:5:192236:225805:223186,COc1cc(-c2cnn(C3CCCCO3)c2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCOCC2)s1,ADYNMGVTAKDJOX-UHFFFAOYSA-N
-rxn:5:192564:223065:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2(C#N)CCC2)c(-c2ccc(N3CCNCC3)cc2F)c1,KDRBUWFWOJUYLL-UHFFFAOYSA-N
-rxn:5:193054:223173:225833,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1ccnc(N2CCCCC2)c1F)N1CCCC1,DHUJVNIUMIOPNC-UHFFFAOYSA-N
-rxn:5:193229:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc(CN2CCOCC2)s1,GHTLRIDCOLLKLH-UHFFFAOYSA-N
-rxn:5:193230:226334:222998,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)c1,UHINVSVAVCERTL-UHFFFAOYSA-N
-rxn:5:193382:223054:227438,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOC4)c3)c2)s1)N1CCC(O)C1,OKAMRRFMPFXIPH-UHFFFAOYSA-N
-rxn:5:193382:223147:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,WGYCVJFQEBOALJ-UHFFFAOYSA-N
-rxn:5:193382:223149:223054,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,CVUUBQNRYOKVDB-UHFFFAOYSA-N
-rxn:5:193382:223286:223139,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)c1,WAFCRMPHEAFGCI-UHFFFAOYSA-N
-rxn:5:193382:225805:223138,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNCC4)c3)c2)s1)N1CCOCC1,FOGQOVUMCGKDHP-UHFFFAOYSA-N
-rxn:5:193382:225805:223147,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CNCCO4)cc3)c2)s1)N1CCOCC1,APTOMYQLGMFLNF-UHFFFAOYSA-N
-rxn:5:193382:226330:227656,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)s1)N1CCCC1,NLTAOZIIBFJBFE-UHFFFAOYSA-N
-rxn:5:193382:226335:223294,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)ccc1C1COC1,FRBZKXRMYODZJS-UHFFFAOYSA-N
-rxn:5:193382:226649:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cccnc2N2CCOCC2)ccc1S(=O)(=O)N1CCOCC1,DLTBIWGBXJMTTM-UHFFFAOYSA-N
-rxn:5:193382:226662:227449,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCOCC5)s4)c3)s2)CC1,VJIOLVOXBDSOMN-UHFFFAOYSA-N
-rxn:5:193382:228868:222959,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(C)c3)c2)s1,QPZRNJMFWZDFKJ-UHFFFAOYSA-N
-rxn:5:193463:226580:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2cc(C(=O)N(C)C)ccc2F)ccc1CN1CCC(=O)CC1,HSBFHSYFJLBGPO-UHFFFAOYSA-N
-rxn:5:193506:223202:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(O)CCC4)cc3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,RLRHCLHPBIXDPS-UHFFFAOYSA-N
-rxn:5:193506:223242:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNC4)c3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,BARKDBOKZRULGD-UHFFFAOYSA-N
-rxn:5:193506:223252:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2ccc(N3CCSCC3)nc2)CC1,NXOBFFUHFDTJLO-UHFFFAOYSA-N
-rxn:5:193506:223252:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2cnc(N3CCSCC3)nc2)CC1,PESKFNNITUHBMI-UHFFFAOYSA-N
-rxn:5:193506:223313:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(O)CC4)cc3)cc2-c2ccc(N3CCCCC3)nc2)CC1,KVZIYFPEJXHVPM-UHFFFAOYSA-N
-rxn:5:193506:223313:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(O)CC4)cc3)cc2-c2ccnc(N3CCCCC3)c2)CC1,YOVUJMWDLXRCNF-UHFFFAOYSA-N
-rxn:5:193506:225872:229009,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2cc(C3CC3)cs2)CC1,MKNZGZLYTFGHBN-UHFFFAOYSA-N
-rxn:5:193506:225872:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2csc(C3CC3)n2)CC1,TWYZOMIMFHFGKN-UHFFFAOYSA-N
-rxn:5:193506:226158:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCCC3)cc2-c2c(C3CC3)ccnc2F)CC1,QHWBKMLUJLVXON-UHFFFAOYSA-N
-rxn:5:193506:226159:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,JELRSHLTJDSWPL-UHFFFAOYSA-N
-rxn:5:193506:226364:223313,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2ccc(C3(O)CC3)cc2)CC1,DYFNQAJJCSRJNB-UHFFFAOYSA-N
-rxn:5:193506:226366:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cccc(S(=O)(=O)F)c2)CC1,LDWSTFZGJMDGLS-UHFFFAOYSA-N
-rxn:5:193506:226414:223202,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccc(C3(O)CCC3)cc2)CC1,SJKWKOBNVMXCNE-UHFFFAOYSA-N
-rxn:5:193506:226414:223203,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cccc(C3(O)CCC3)c2)CC1,MBQUOTKYJSUCKO-UHFFFAOYSA-N
-rxn:5:193506:226658:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2cccc(S(=O)(=O)F)c2)CC1,XUNNNIIFJUBRQF-UHFFFAOYSA-N
-rxn:5:193506:226658:228628,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2cc(C3CCC3)cs2)CC1,HXQKERLXZDEJTJ-UHFFFAOYSA-N
-rxn:5:193506:226661:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,GMAYVFGTCBGMDG-UHFFFAOYSA-N
-rxn:5:193506:226663:227679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2-c2ccc3c(c2)OC(F)(F)O3)CC1,SPVRWOKGYHBOOL-UHFFFAOYSA-N
-rxn:5:193506:226664:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cc(N3CCCC3)cs2)CC1,XKDAKHRSHYBNDB-UHFFFAOYSA-N
-rxn:5:193506:226664:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cccc(S(=O)(=O)F)c2)CC1,IDUIBWGTYZIXEE-UHFFFAOYSA-N
-rxn:5:193506:226679:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(S(=O)(=O)F)c2)CC1,GDHQGDBUXBHUMQ-UHFFFAOYSA-N
-rxn:5:193506:226794:228490,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2cccc(S(=O)(=O)F)c2)CC1,UESQTJLDXZAAAT-UHFFFAOYSA-N
-rxn:5:193506:227379:227679,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2ccc3c(c2)OC(F)(F)O3)CC1,DHCWXIJFZHOBFH-UHFFFAOYSA-N
-rxn:5:193506:227387:223202,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2ccc(C3(O)CCC3)cc2)CC1,OIAFVJZBADDLKD-UHFFFAOYSA-N
-rxn:5:193506:227403:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cc(C3CC3)cnc2F)CC1,QJJPHFFGTZCLRS-UHFFFAOYSA-N
-rxn:5:193506:227404:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(F)cc(C3CC3)c2)CC1,NWGURAXIXPQABE-UHFFFAOYSA-N
-rxn:5:193506:227501:223240,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(C3CCNC3)nc2)CC1,PAUBFXOSLZITNG-UHFFFAOYSA-N
-rxn:5:193506:227680:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OC(F)(F)O4)cc2-c2ccnc(N3CCCC3)c2)CC1,RVHPSVXXVMEJQW-UHFFFAOYSA-N
-rxn:5:193506:227868:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCC4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,XWSGSTFPLJVOSB-UHFFFAOYSA-N
-rxn:5:193506:228020:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCSCC3)nc2)CC1,FYBFUVPQSPAYGF-UHFFFAOYSA-N
-rxn:5:193506:228064:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)C(=O)CC4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,DKESUTWWNMDKAK-UHFFFAOYSA-N
-rxn:5:193506:228064:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)C(=O)CC4)cc2-c2ccc(N3CCCC3)nc2F)CC1,NGAZZXNJQPQNSO-UHFFFAOYSA-N
-rxn:5:193506:228078:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC4=O)cc2-c2ccc(N3CCCC3)nc2F)CC1,KWVCEPPXHOTMOX-UHFFFAOYSA-N
-rxn:5:193506:228078:226664,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC4=O)cc2-c2cc(N3CCCC3)ncc2F)CC1,WQJVPIVBGSGGEK-UHFFFAOYSA-N
-rxn:5:193506:228236:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccccc2N2CCNCC2)CC1,CQSOCXZGJMJGPF-UHFFFAOYSA-N
-rxn:5:193506:229048:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnn4c3CCC4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,XBNZCCDPPKDGHP-UHFFFAOYSA-N
-rxn:5:193652:226144:223063,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3=NC(=Cc4ccc(-c5cc(F)nc(C6CCNCC6)c5)cc4)C(=O)O3)cc2)cc1,WLVCEWVPNVZKHZ-UHFFFAOYSA-N
-rxn:5:193752:227710:226664,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cc(N4CCCC4)ncc3F)c2)C1,UKHYDRWZJNFYCH-UHFFFAOYSA-N
-rxn:5:193753:228193:225641,CC1CCCN(c2cc(-c3cc(C(=O)N4CCCCC4C)cc(-c4cnn(C5CCCC5)c4)c3)ccn2)C1,LMDFUNLSCAXFEA-UHFFFAOYSA-N
-rxn:5:193754:225833:223388,CC1CCN(C(=O)c2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,IXVYRTMNEOCCAN-UHFFFAOYSA-N
-rxn:5:193754:225833:227710,CC1CCN(C(=O)c2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,GCJNZBUIRPKZCA-UHFFFAOYSA-N
-rxn:5:193869:222420:223146,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,YLXLWZVIPZSALK-UHFFFAOYSA-N
-rxn:5:193869:225631:228885,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C#N)c(F)c1,FLHIDTVDTHCSFS-UHFFFAOYSA-N
-rxn:5:193869:225631:228890,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,HCGUYXFOMLMGSX-UHFFFAOYSA-N
-rxn:5:193869:225632:228890,Cc1cc(-c2cccc(N3CCN(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,OCOGTOKXUKMQNZ-UHFFFAOYSA-N
-rxn:5:193869:228064:226658,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)nc1F,FKIBCCKWCRWIPR-UHFFFAOYSA-N
-rxn:5:193870:223132:223086,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc3[nH]ncc3cc2C(F)(F)F)cc1-c1cccc(N2CCNCC2)c1,ZPYNWCRDMVAOQM-UHFFFAOYSA-N
-rxn:5:193870:225464:228825,Cc1cc(F)c(-c2cc(-c3cccc(N4CCCC(C)C4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1F,BRTCILMOVAGTJL-UHFFFAOYSA-N
-rxn:5:193870:228890:225631,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)cc2)cc1-c1cnc(F)c(C#N)c1,NNAYSAOAKFWMEK-UHFFFAOYSA-N
-rxn:5:193870:228890:225632,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCN(C)CC3)c2)cc1-c1cnc(F)c(C#N)c1,HYWDNNPDUOJRGD-UHFFFAOYSA-N
-rxn:5:193967:226959:227281,CC(C)c1cc(-c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2CN2CCC3(CC2)OCCO3)cc(C#N)n1,YQEJRFHVTAYFLA-UHFFFAOYSA-N
-rxn:5:193972:222990:223088,Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc2[nH]c(C(F)(F)F)cc12,JQSHSNXKEUZTPO-UHFFFAOYSA-N
-rxn:5:193972:225631:229099,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,JEVGAJAYXBWHKB-UHFFFAOYSA-N
-rxn:5:193972:225634:229031,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCCC4)c(C)c3)cc2C)c(F)c1,UKBMEIXAFXILCC-UHFFFAOYSA-N
-rxn:5:193972:225636:229060,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,PGXVYNMGIBFDBL-UHFFFAOYSA-N
-rxn:5:193972:225636:229065,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,ZQERHNNJDMGUMD-UHFFFAOYSA-N
-rxn:5:193972:225639:229097,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,RTDAYTRNUPQQIC-UHFFFAOYSA-N
-rxn:5:193972:225655:229065,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,HMZOCCMXRCZOGS-UHFFFAOYSA-N
-rxn:5:193972:226164:228885,Cc1cc(-c2ccc(N3CCCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(F)c1,SRLVGQSGNZTZAD-UHFFFAOYSA-N
-rxn:5:193972:226366:228716,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(C)c1,YETBZTJPJVQPLQ-UHFFFAOYSA-N
-rxn:5:193972:227387:228234,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C2CC2)ccnc1F,PBRLTPZDOGASEX-UHFFFAOYSA-N
-rxn:5:193972:228890:226164,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)cc1,NXFOPDSCGUQCIV-UHFFFAOYSA-N
-rxn:5:193972:229065:225636,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,AYECUSGHIKOOFQ-UHFFFAOYSA-N
-rxn:5:193972:229065:225655,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,RIBDUBIWHHTAGT-UHFFFAOYSA-N
-rxn:5:193972:229227:225849,Cc1cc(-c2csc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,LIXSNVOGVCOFSL-UHFFFAOYSA-N
-rxn:5:194058:222989:225805,Cc1cc(N2CCNCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCOCC2)s1,LFLQMWJFSLXXJO-UHFFFAOYSA-M
-rxn:5:194058:223054:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,WNFPXAHDXCRJKN-UHFFFAOYSA-M
-rxn:5:194058:225454:225943,CN1CC=C(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(=O)N4CCOCC4)s3)cc2)CC1,AQEIGYBSURLUMA-UHFFFAOYSA-M
-rxn:5:194058:225455:223054,Cc1ccc(N2CCCCC2)cc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,GHSNCARTPPDZEW-UHFFFAOYSA-M
-rxn:5:194058:225461:223054,Cc1cc(N2CCCCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,YLQXVTALRUNHMG-UHFFFAOYSA-M
-rxn:5:194058:225607:226661,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCCCC1,PORLHMGJPGCGGV-UHFFFAOYSA-M
-rxn:5:194058:225805:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCOCC2)s1,KWTZBEAPIUBPDY-UHFFFAOYSA-M
-rxn:5:194575:226679:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cnc(N4CCCC4)cc2F)C3)c1,HKEHZWSLWQAUSY-UHFFFAOYSA-N
-rxn:5:194733:225933:229306,Cc1cnc(-c2ccc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)s1,QZVCUBPLBOIJRG-UHFFFAOYSA-N
-rxn:5:194733:227654:228260,CC(F)(F)c1cccc(-c2ccc(-c3ccc(C4OCCO4)nc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,OKWIQXGRWVKQBS-UHFFFAOYSA-N
-rxn:5:196408:226364:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCCCC3)nc2)c1,IGXXKEZFXHZCRY-UHFFFAOYSA-N
-rxn:5:196620:225849:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCC3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)c1,XDDMIANHBDWNIP-UHFFFAOYSA-N
-rxn:5:196791:225805:227710,CC(c1ccc(-c2cccc(N3CCOCC3=O)c2-c2ccc(OS(C)(=O)=O)cc2)s1)N1CCOCC1,LVRPAXBZAPMOAB-UHFFFAOYSA-N
-rxn:5:196792:223286:225805,CC(c1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(N3CCOCC3=O)c2)s1)N1CCOCC1,GHMGVQYFLWUHDZ-UHFFFAOYSA-N
-rxn:5:196858:222994:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cccc(N2CCC(O)CC2)c1,MEZDLELWZJGUTF-UHFFFAOYSA-N
-rxn:5:196871:226686:222981,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1N1CCOCC1,GXOPKWVZCUGPKE-UHFFFAOYSA-N
-rxn:5:196916:226679:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3F)c2)c1,CIGKCTBJDJEQNG-UHFFFAOYSA-N
-rxn:5:196916:226679:225931,Cc1cc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,XOWPUBOWNMCLFU-UHFFFAOYSA-N
-rxn:5:196917:225926:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,DKWDGLYQJLDFTJ-UHFFFAOYSA-N
-rxn:5:196917:226366:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2ccnc(N3CCCCC3)c2)=N1,YPDCVMFJKURPMY-UHFFFAOYSA-N
-rxn:5:196919:226364:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RSEOSNQDZKJXCK-UHFFFAOYSA-N
-rxn:5:196969:222988:223062,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCNCC2)n1,DIBCFPDGTBRBEM-UHFFFAOYSA-N
-rxn:5:196969:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1sccc1C1CCCCC1,KFRCPKAJFIPRIB-UHFFFAOYSA-N
-rxn:5:196970:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cncc(C2CCCNC2)c1,IPJPOXHIUAGPKG-UHFFFAOYSA-N
-rxn:5:196978:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCCC3)c2)ccc1N1CCCCC1,DNJWKEOYYCYHNW-UHFFFAOYSA-N
-rxn:5:196978:226898:225656,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2)c(-c2cncc(N3CCCCC3C)c2)c1,FPKGEZVWGVFPAZ-UHFFFAOYSA-N
-rxn:5:196979:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnn2C2CCCCO2)cc(N2CCCCC2)c1,KTICBXUHNWBSBX-UHFFFAOYSA-N
-rxn:5:197876:223018:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KCUPBARSRGJKED-UHFFFAOYSA-N
-rxn:5:197876:225603:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PIJGSWFARAEYFL-UHFFFAOYSA-N
-rxn:5:197876:225880:228582,CC(C)c1ccncc1-c1cc2c(cc1-c1cc(C3CCOCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UJGHAHCDRKLSGI-UHFFFAOYSA-N
-rxn:5:197876:226334:228500,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cnc(C(F)(F)F)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NOJRQPDJNJRUET-UHFFFAOYSA-N
-rxn:5:197876:226438:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZKPSRUKKFFPCHK-UHFFFAOYSA-N
-rxn:5:197876:226917:223113,Cc1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,KADZRPKBWPAKAY-UHFFFAOYSA-N
-rxn:5:197876:227065:226973,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YWEXVNRVLCSHIG-UHFFFAOYSA-N
-rxn:5:197876:227912:226062,COC(C)c1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,KNODGWDRKMTPQV-UHFFFAOYSA-N
-rxn:5:198558:225465:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cccc(C5CCN(C)CC5)c4)ccc32)s1)N1CCOCC1,KGQGYJRWMXENGK-UHFFFAOYSA-N
-rxn:5:225636:193972:229060,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,PGXVYNMGIBFDBL-UHFFFAOYSA-N
-rxn:5:225636:193972:229065,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,ZQERHNNJDMGUMD-UHFFFAOYSA-N
-rxn:5:225833:193754:227710,CC1CCN(C(=O)c2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,GCJNZBUIRPKZCA-UHFFFAOYSA-N
-rxn:5:225926:196919:225849,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,KSJLFLKAQZMEGU-UHFFFAOYSA-N
-rxn:5:226158:193506:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCCC3)cc2-c2c(C3CC3)ccnc2F)CC1,QHWBKMLUJLVXON-UHFFFAOYSA-N
-rxn:5:226414:193506:223202,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccc(C3(O)CCC3)cc2)CC1,SJKWKOBNVMXCNE-UHFFFAOYSA-N
-rxn:5:226679:193753:227710,CC1CCCCN1C(=O)c1cc(-c2ccc(OS(C)(=O)=O)cc2)cc(-c2cnc(N3CCCC3)cc2F)c1,KIHIAAIHJXCLIU-UHFFFAOYSA-N
-rxn:5:226679:196916:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3F)c2)c1,CIGKCTBJDJEQNG-UHFFFAOYSA-N
-rxn:5:226679:196916:225931,Cc1cc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,XOWPUBOWNMCLFU-UHFFFAOYSA-N
-rxn:5:227203:193506:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCCO4)cc2-c2cc(F)nc(C3CCC3)c2)CC1,OQIIFUDRURISDT-UHFFFAOYSA-N
-rxn:5:227205:193506:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCCO4)cc2-c2cc(F)nc(C3CCC3)c2)CC1,FQQOLCOHHYWLCH-UHFFFAOYSA-N
-rxn:5:227403:193506:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cc(C3CC3)cnc2F)CC1,QJJPHFFGTZCLRS-UHFFFAOYSA-N
-rxn:5:227710:193752:225834,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cc(N4CCCCC4)ncc3F)c2)C1,JWXYWFWVMGZPDK-UHFFFAOYSA-N
-rxn:5:227710:193752:226664,CC1CCCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3cc(N4CCCC4)ncc3F)c2)C1,UKHYDRWZJNFYCH-UHFFFAOYSA-N
-rxn:5:227863:178295:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc3c(c2)CCCO3)CCC(=O)CC1,PIIWFVTVQUXAAL-UHFFFAOYSA-N
-rxn:5:227867:178295:226924,COC(=O)C1(c2cc(-c3cc(C)cc(C4CC4)c3C)ccc2-c2cccc3c2OCCC3)CCC(=O)CC1,FYUZUCMSLFUNNO-UHFFFAOYSA-N
-rxn:5:227868:193506:226658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCC4)cc2-c2ccc(N3CCCC3)nc2F)CC1,PSPWJGVBLXYPHU-UHFFFAOYSA-N
-rxn:5:227869:178295:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2ccc3c(c2)CC(C)O3)CCC(=O)CC1,VCFKOMOQSOTUPV-UHFFFAOYSA-N
-rxn:5:227898:178295:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cncc(CC(C)C)c2)CCC(=O)CC1,QZMOPSXCJBGRGA-UHFFFAOYSA-N
-rxn:5:227898:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cncc(CC(C)C)c2)CCC(=O)CC1,YCUAHKSRUZULOE-UHFFFAOYSA-N
-rxn:5:227906:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cccnc3C(C)CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,ALGJHFHYNNMJNV-UHFFFAOYSA-N
-rxn:5:227919:178295:226920,CCOc1cc(C)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DLIPGSQOPHFSRW-UHFFFAOYSA-N
-rxn:5:227920:178295:227325,CCC(=O)c1ccc(-c2ccc(-c3ccc(OC(C)(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,GMBHXZDGDLZECM-UHFFFAOYSA-N
-rxn:5:227922:178295:227351,CCc1cc(OC)ccc1-c1ccc(-c2cccc(C)c2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,QFADFLYEROTLIV-UHFFFAOYSA-N
-rxn:5:227933:178295:226146,CCc1ccc(OC)cc1-c1ccc(-c2ccc(SC3CCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,OBQRSDUMBWHBGO-UHFFFAOYSA-N
-rxn:5:227933:178295:227038,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,BDLUXXUFQHPFNN-UHFFFAOYSA-N
-rxn:5:227989:178295:227588,CC#Cc1ccc(F)c(-c2ccc(-c3c(OC)cc(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,STSMWFCWVGFZET-UHFFFAOYSA-N
-rxn:5:228020:193506:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,TVWNNHJMDJXVJP-UHFFFAOYSA-N
-rxn:5:228078:193506:226664,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC4=O)cc2-c2cc(N3CCCC3)ncc2F)CC1,WQJVPIVBGSGGEK-UHFFFAOYSA-N
-rxn:5:228211:193506:226664,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cs3)cc2-c2cc(N3CCCC3)ncc2F)CC1,RLSWZBMLFYHQAC-UHFFFAOYSA-N
-rxn:5:228211:193506:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cs3)cc2-c2ccnc(N3CCCC3)c2)CC1,NYQZPHPCIRTPIY-UHFFFAOYSA-N
-rxn:5:228292:193506:226440,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)nc(C3CCCC3)c2)CC1,JFHQALLFVOZIDQ-UHFFFAOYSA-N
-rxn:4:173301:224322,CCOC(=O)CCOc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1F,ZAJRUPWHZMSJKG-UHFFFAOYSA-N
-rxn:4:173553:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)c2ccccc12,FWNYONOQTWGUTK-UHFFFAOYSA-N
-rxn:4:173554:223746,COC(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3C(=O)OC(C)(C)C)cc2)cc1,RBCHENHHGKUUHT-UHFFFAOYSA-N
-rxn:4:173580:223606,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)cc1,FNPWDCGJCYLFLH-UHFFFAOYSA-N
-rxn:4:173596:223558,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2,DVHBDNBKCHUNBY-UHFFFAOYSA-N
-rxn:4:173596:225451,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(SC2CCCCC2)cc1,HWGNUCRIMHDWJH-UHFFFAOYSA-N
-rxn:4:173603:224842,COC(=O)c1c(C)oc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c(OC(C)C(=O)OC)cc12,PQNJOSSXNIKYJB-UHFFFAOYSA-N
-rxn:4:173636:225395,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc(C4CC4)cc(C(C)(C)C)c3)ccc1OC)C2=O,OOPYXJPKCSYFHH-UHFFFAOYSA-N
-rxn:4:173763:222519,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1,HKGUPSANQZFINR-UHFFFAOYSA-N
-rxn:4:173763:222520,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1,LEIIAQZUQAXULR-UHFFFAOYSA-N
-rxn:4:173763:222604,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1,RSOWTNPIFBWMDC-UHFFFAOYSA-N
-rxn:4:173763:222611,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)cc1,ZQRZMZFNJDJZDE-UHFFFAOYSA-N
-rxn:4:173763:223497,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,PSMZKGOBIYLDML-UHFFFAOYSA-N
-rxn:4:173763:223498,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,NUGCEYASGPVYLP-UHFFFAOYSA-N
-rxn:4:173763:223531,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1,JCYBYIVJKHWFDS-UHFFFAOYSA-N
-rxn:4:173763:223540,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1,SSOMBRWRPAPGMR-UHFFFAOYSA-N
-rxn:4:173763:223596,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IGTHESGPWZNSKB-UHFFFAOYSA-N
-rxn:4:173763:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)cc2)C1,DBQXXQODMGCUMZ-UHFFFAOYSA-N
-rxn:4:173763:223650,COC(=O)C(=O)CC(=O)c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IAEYSCYWSVEHBK-UHFFFAOYSA-N
-rxn:4:173763:223753,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1,VFUAIHYMWDGLDO-UHFFFAOYSA-N
-rxn:4:173763:223898,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1,SSAXASAXEOCIIM-UHFFFAOYSA-N
-rxn:4:173763:223899,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)cc1,HXVXAQUPGQKQOT-UHFFFAOYSA-N
-rxn:4:173763:223916,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1,WUJXTDJDVFFRET-UHFFFAOYSA-N
-rxn:4:173763:223941,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cc1,AIINWAFTHFTMRN-UHFFFAOYSA-N
-rxn:4:173763:223948,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c2)cc1,UEYORHZBNZDVNM-UHFFFAOYSA-N
-rxn:4:173798:224329,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,GXSOGKWRPJMZKE-UHFFFAOYSA-N
-rxn:4:173802:226030,COc1c(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(F)(F)F,SMLUVYIRPYGPJN-UHFFFAOYSA-N
-rxn:4:173809:226844,O=C(c1cc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)ccn1)C(F)(F)F,HQYQFPDDXRABCH-UHFFFAOYSA-N
-rxn:4:173811:225126,Fc1ccc(OCC2CCCO2)c(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)c1,HUYYDWSQUGAHGO-UHFFFAOYSA-N
-rxn:4:173959:222439,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c(C)c1,UTAPTAQBMRUGNZ-UHFFFAOYSA-N
-rxn:4:174058:222522,CCOC(=O)c1cc(OC)c(OC)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,WWIXBBLNKCFHFW-UHFFFAOYSA-N
-rxn:4:174100:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(C)(C(=O)OC)C(=O)OC)cc3)cc2)CC1,XPAUFRLPMXGSHB-UHFFFAOYSA-N
-rxn:4:174151:223841,Cc1cc(F)c(-c2ccc(OCC(=O)OC(C)(C)C)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZKSMHHKPEACEKN-UHFFFAOYSA-N
-rxn:4:174169:222828,CC(C)(C)OC(=O)c1cc(OC(F)(F)F)cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1,LUFBNSGWYGFCJA-UHFFFAOYSA-N
-rxn:4:174302:224196,CCOC(=O)C(C)(C)c1ccc(-c2cc(F)cc(CN3CCN(CC)CC3)c2)cc1OC,UCJIXCKYGAFCJG-UHFFFAOYSA-N
-rxn:4:174432:222524,CC(C)Oc1ccc(C(=O)OC(C)(C)C)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,BETNRRMJOCUZIR-UHFFFAOYSA-N
-rxn:4:174522:223553,CC(C)[Si](C#Cc1ccc(-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2)cc1)(C(C)C)C(C)C,AHWGPWYEHKDFAT-UHFFFAOYSA-N
-rxn:4:174528:224956,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(O[Si](C)(C)C(C)(C)C)c1,NYKMMGWSUSPXHZ-UHFFFAOYSA-N
-rxn:4:174575:223888,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)C2=O,SQEOBNSGRYTUGS-UHFFFAOYSA-N
-rxn:4:174602:224378,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)ccc1OC)C2=O,BIXXSASXVZLPED-UHFFFAOYSA-N
-rxn:4:174624:224853,COc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,STLVJRUUKBQLHO-UHFFFAOYSA-N
-rxn:4:174624:224874,COc1ccc(-c2cccc(COC3CCCCC3)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,GYQXCSVBSMGPPA-UHFFFAOYSA-N
-rxn:4:174656:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,JDAPVMLALZPZLV-UHFFFAOYSA-N
-rxn:4:174662:224325,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)ccc3-4)cc21,WAKLNAFOROKMIB-UHFFFAOYSA-N
-rxn:4:174758:224065,CC1CCN(c2cc(-c3cc(C(F)(F)F)ccc3OC(F)(F)C(F)(F)F)cc(C3CC3)c2)CC1,CYAQPIKOFIYDPS-UHFFFAOYSA-N
-rxn:4:174878:223835,COC(=O)c1ccc(OC(C)=O)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,OTFHQHIKXKGEHK-UHFFFAOYSA-N
-rxn:4:175605:224306,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,UQHLQSWXGWQBPT-UHFFFAOYSA-N
-rxn:4:175634:223542,CN1CCN(S(=O)(=O)c2cc(-c3cccc(CCC(=O)c4ccc(F)c(Cl)c4)c3)ccc2OC(F)(F)F)CC1,OKMBCEMANAULGE-UHFFFAOYSA-N
-rxn:4:175734:223996,CN1CCN(c2ccc(-c3ccc(OCC(F)(F)F)c(C(C)(C)C)c3)c(C(F)(F)F)c2)CC1,OGGVBHGCGDJFQW-UHFFFAOYSA-N
-rxn:4:175816:224326,COC(=O)c1cc(OC2CCCC2)cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c1,CDEWUGJJTDJFQN-UHFFFAOYSA-N
-rxn:4:175850:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)CC(=O)c4ccc(C)cc4)cc3)cc21,DQSNZTFUBUKRIR-UHFFFAOYSA-N
-rxn:4:175929:223695,COc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OC)cc1C#C[Si](C)(C)C,OOBAQTWCGOYZRA-UHFFFAOYSA-N
-rxn:4:176018:224612,COc1cc(-c2ccc(OCCN3CCOCC3)cc2)c(F)cc1OCC1CCCCC1,SIDROWDGJYJFBI-UHFFFAOYSA-N
-rxn:4:176018:224663,COc1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)c(F)cc1OCC1CCCCC1,KWIJAKVXXNYFQZ-UHFFFAOYSA-N
-rxn:4:176140:224960,COc1ccc(-c2ccc(OCC3CCCCC3)c(C(C)(F)F)c2)cc1OC1CCCC1,AAXJWHJPQJRHDV-UHFFFAOYSA-N
-rxn:4:176165:222545,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)c2)c1,AQLPIGAMLBRQCE-UHFFFAOYSA-N
-rxn:4:176168:224835,CC(C)[Si](c1c(F)cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1F)(C(C)C)C(C)C,FMIAOUISOJJNNV-UHFFFAOYSA-N
-rxn:4:176196:226021,CCOC(=O)C1=Cc2cc(-c3cc(Cl)ccc3OCC(F)(F)F)ccc2OC1C(F)(F)F,WYHKZOYAXRLFAT-UHFFFAOYSA-N
-rxn:4:176204:224569,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(OCC4CCCCC4)c3)cc(OC)c2OC1,DREDWOGBBXPDLE-UHFFFAOYSA-N
-rxn:4:176239:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC)c(C=C4Oc5cc(OC(C)=O)ccc5C4=O)c3)cn2)CC1,QLLWSLHXINTYCO-UHFFFAOYSA-N
-rxn:4:176242:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C=C1Oc2cc(OC(=O)C3CC3)ccc2C1=O,FSHNSIQDZQPRBJ-UHFFFAOYSA-N
-rxn:4:176254:222639,CCOc1ccc2c(c1)OC(=Cc1cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)ccc1OC)C2=O,XJDSBQBTYWWSBC-IBGZPJMESA-N
-rxn:4:176264:223559,CCC(=O)Oc1ccc2c(=O)c(-c3ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc3)c(C)oc2c1,XUQRXJFKXLKJMD-UHFFFAOYSA-N
-rxn:4:176439:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(Cl)cc(OC(F)(F)C(F)(F)F)c3)ccc2F)CC1,ZBKGFJDTXGZIAL-UHFFFAOYSA-N
-rxn:4:176441:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c(Cl)cccc3OC(F)(F)C(F)(F)F)cc2Cl)CC1,SMHZUETWBWLKNS-UHFFFAOYSA-N
-rxn:4:176485:223559,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(F)c1,FYEOLESOYBIFCT-UHFFFAOYSA-N
-rxn:4:177247:223482,CC(C)CSc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,BRIFTDURTLQTND-UHFFFAOYSA-N
-rxn:4:177403:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(OC(F)(F)F)cc(C3OCCO3)c2)c(C(F)(F)F)c1,CLWLKPBRZXPTAL-UHFFFAOYSA-N
-rxn:4:178184:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(OC(C)C)c(F)c(C2OCCO2)c1,CMEKWLUKODXNGH-UHFFFAOYSA-N
-rxn:4:178292:224485,COC(=O)C1(c2cccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CCC(=O)CC1,OEOPUPNJHAIATL-UHFFFAOYSA-N
-rxn:4:178326:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)ccc3C3CCCCC3)c(F)c2)CC1,SWFPWWSNWCSYPR-YHBQERECSA-N
-rxn:4:178328:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)CC4CCCCC4)cc3)cc2)CC1,BHQBWYDKBLQFAF-UHFFFAOYSA-N
-rxn:4:178384:226993,CCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,ZQPJLWLPXSIORU-UHFFFAOYSA-N
-rxn:4:178384:227013,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1CC,ZNTZUVOSAMDLHA-UHFFFAOYSA-N
-rxn:4:178384:227272,COCc1ccc(OC)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,GXYAOQCTWBCOSV-UHFFFAOYSA-N
-rxn:4:178578:223559,CC(=O)Oc1ccc2c(-c3cc4cc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)ccc4oc3=O)cc(=O)oc2c1,KUVPCELETNOKHX-UHFFFAOYSA-N
-rxn:4:178597:226787,Cc1nc(-n2ccnc2)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XKDXBRAELYUXRY-UHFFFAOYSA-N
-rxn:4:178597:227432,Cc1nc(C2COC2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,RFIOFOGSPZYTPU-UHFFFAOYSA-N
-rxn:4:179351:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(OC4COC4)cc3)c2)CC1,ZZCJSAKLHDKXCZ-UHFFFAOYSA-N
-rxn:4:179643:223919,CN(C(=O)c1ccc(-c2cc(C3CC3(F)F)cc(C(F)(F)F)c2)cc1Cl)C1CCCCC1,HGRPELMGHANWCW-UHFFFAOYSA-N
-rxn:4:179846:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC4CCOC4)cc3F)c(F)cc2C)CC1,ZVGFJWPYWZWFDJ-UHFFFAOYSA-N
-rxn:4:180024:223812,COc1c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)ccc(F)c1C1OCCO1,SNRSWYIFVTZQBG-UHFFFAOYSA-N
-rxn:4:180792:225054,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCCC4C)cc3Cl)cc1C2=O,IXHWLIOXIQHWID-UHFFFAOYSA-N
-rxn:4:180815:222729,CCCc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCCNC2)n1,IIXKIRZQYYCIFQ-UHFFFAOYSA-N
-rxn:4:180815:224705,COc1ccc(-c2ccc(N3CCC(C)CC3)c(F)c2F)cc1C12CC3CC(CC(C3)C1)C2,IKAPRZLFDPHHRV-UHFFFAOYSA-N
-rxn:4:182179:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)CC(C(F)(F)F)C4=O)c2)C1,RCXOYGYETJUTTD-UHFFFAOYSA-N
-rxn:4:182354:223754,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c2c1OC1(CCCC1)C2,GAWFCMUQXGAYNY-UHFFFAOYSA-N
-rxn:4:182359:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc3c(c2)C(=O)C2(CCC(OC)CC2)O3)c1,KIPWLABAFWQHCU-UHFFFAOYSA-N
-rxn:4:182372:224561,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3C)cc1C2=O,JSLFJJVXPHKOCS-RSIILCRJSA-N
-rxn:4:182374:222758,CC(=O)c1cc2c(cc1-c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(C)(C)CCC2(C)C,PQUDLXIHXRZSBF-UHFFFAOYSA-N
-rxn:4:182375:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CC(C2COCC(C)(C)C2)O3)cc1,CFGQFZUIYONUOO-UHFFFAOYSA-N
-rxn:4:182376:225770,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(F)cc(OCC5CC5)cc4F)cc3C2=O)C[C@@H]1C,XLEOPKBQQGPTQP-KZQWQXQVSA-N
-rxn:4:182586:223480,Cc1cc(C)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(F)c1,WTXHMANWWDDTOF-UHFFFAOYSA-N
-rxn:4:183255:224396,Cc1cc(-c2ccc3c(c2)S(=O)(=O)C2(CCC2)CC3=O)ccc1S(=O)(=O)N1CCOCC1,BKBPVYGNQONXTL-UHFFFAOYSA-N
-rxn:4:183515:223842,CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,HYSBNNZYRMBGRT-UHFFFAOYSA-N
-rxn:4:183518:223813,CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,KRJXAGHOSLQBLV-UHFFFAOYSA-N
-rxn:4:183542:223952,CCOC(=O)Cc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(C#N)cc1C(F)(F)F,LEIGQGSGKNUOBV-UHFFFAOYSA-N
-rxn:4:183585:224406,COC(=O)C(C(=O)OC)c1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-],YKUQXNSEVTVJNM-UHFFFAOYSA-N
-rxn:4:183590:223596,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,NQUAFZPLDZIULL-UHFFFAOYSA-N
-rxn:4:183617:223889,CCN(CC)C(=O)CSc1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,QVYDRDOUTFYFKN-UHFFFAOYSA-N
-rxn:4:183668:224683,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1,FQBRVZJKARMHCF-UHFFFAOYSA-N
-rxn:4:183751:224746,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c2)SC1=S,RENPEONMYWVQNS-UHFFFAOYSA-N
-rxn:4:183760:223652,COCCOc1cc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)ccc1C(=O)N1CCCC1,YOUSJWZCSUYUJB-UHFFFAOYSA-N
-rxn:4:183772:228448,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(C(F)F)cc1Cl)N1CCCC(F)(F)C1,PMGKBQXEJWOHCM-UHFFFAOYSA-N
-rxn:4:183803:225730,CCCCOc1c(Cl)ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)c1F,AAZUEOFKUVTJDM-UHFFFAOYSA-N
-rxn:4:183807:223840,COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(C)C)c2)cc1S(=O)(=O)N1CCN(C)CC1,GUFINIQBYYKVOF-UHFFFAOYSA-N
-rxn:4:183836:223136,CCN(C(=O)COc1ccc(-c2ccncc2C2CCCNC2)cc1)C1CCS(=O)(=O)C1,GGQCBXCLUPAFSN-UHFFFAOYSA-N
-rxn:4:183844:224326,COC(=O)CN(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1,ALBGIXBEDUAQRZ-UHFFFAOYSA-N
-rxn:4:183861:224847,COC(=O)CN1CCC(COc2cccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c2)CC1,YRJSYKATKQSCBF-UHFFFAOYSA-N
-rxn:4:183889:222800,Cc1cc(-c2ccc(C(=O)N3CCC(CSCc4ccco4)CC3)o2)cc(C)c1S(=O)(=O)NC(C)C,OCDBMUOMOBQWPI-UHFFFAOYSA-N
-rxn:4:183911:225267,CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)c(C(F)(F)F)c1,NIRYGEJXOGJPCT-UHFFFAOYSA-N
-rxn:4:183945:224754,O=C1CCN(C(=O)OCc2ccccc2)C1Cc1cccc(-c2ccccc2S(=O)(=O)N2CCCCC2)c1,GDAMOAQTIUGPRO-UHFFFAOYSA-N
-rxn:4:183980:224746,CCOc1cc(C=C2N=C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)OC2=O)ccc1OC(C)=O,FLXFLMWIDMFSLO-UHFFFAOYSA-N
-rxn:4:183985:222950,CONS(=O)(=O)c1cc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)ccc1OC,GBTLGKYFNBCMJI-UHFFFAOYSA-N
-rxn:4:184058:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCCC(COCc3ccccc3)C2)cc1,SXUVJIYSPPNWDJ-UHFFFAOYSA-N
-rxn:4:184067:223984,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)cc1)C1CCC(F)(F)CC1,DZHFOLWSHZNEGA-UHFFFAOYSA-N
-rxn:4:184084:223858,COc1cc2c(cc1-c1c(C)cccc1OCC1CCN(C(=O)OC(C)(C)C)CC1)-c1ccccc1C2(C)C,SLUOMOTZWCBGNB-UHFFFAOYSA-N
-rxn:4:184090:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,JWECLTTUMNZQMQ-UHFFFAOYSA-N
-rxn:4:184099:228907,COc1nccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1Cl,YHPKGEYQZXBEQI-UHFFFAOYSA-N
-rxn:4:184112:223866,CCN(CC)C(=O)COc1ccc2ccccc2c1-c1ccccc1CN1C(C)(C)CCCC1(C)C,LQAOULZRDIEQRD-UHFFFAOYSA-N
-rxn:4:184158:225904,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C(=O)N(C)OC)ccc3F)cc1)C2=O,KVTDJQFRLMANSI-UHFFFAOYSA-N
-rxn:4:184160:223888,CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2c1=O,DSRAYSUXKZGJPL-UHFFFAOYSA-N
-rxn:4:184216:224853,CC1(C)CCC(c2ccc(-c3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)cc4ccccc34)cc2)CC1,HFRJKNWZXHONIT-UHFFFAOYSA-N
-rxn:4:184222:225521,CCCCOc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1OC,RXFOUIJIMAPKAL-UHFFFAOYSA-N
-rxn:4:184224:223562,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)cc1,VUPHKVMICGCFNV-UHFFFAOYSA-N
-rxn:4:184227:222651,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2F)cc1,BUMDWZXSWDEJJD-UHFFFAOYSA-N
-rxn:4:184227:224552,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(-c2cc(F)cc(COC3CCCCC3)c2)cc1,JFIPWWPFLLMVGE-UHFFFAOYSA-N
-rxn:4:184230:223624,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cccc(COc5ccc(C(C)(C)C)cc5C)c4)ccc(c23)C1=O,CHURPZQADQMOCJ-UHFFFAOYSA-N
-rxn:4:184239:224683,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3c(=O)c2C1c1cccc(Cl)c1,KFBGMYIZFGPPJX-UHFFFAOYSA-N
-rxn:4:184248:222630,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cc(C4CCC4)nc(C4CCNCC4)c2)c1)N(CCCOC(C)C)C3=O,IFWDTMSEJSKULR-UHFFFAOYSA-N
-rxn:4:184249:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1OCc1ccccc1,PMVLKKHPUZULST-UHFFFAOYSA-N
-rxn:4:184480:224064,CCOC(=O)c1ccc(C(F)(F)F)c(-c2cc(C3CC3)cc(N3CCCCC3C)c2)c1C#N,QBEGNFHFYQKKHO-UHFFFAOYSA-N
-rxn:4:184494:223754,CCOC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc(C(F)(F)F)c1C#N,CUNGBRQHGLCSAO-UHFFFAOYSA-N
-rxn:4:184736:225123,O=C(c1ccccc1-c1ccncc1OCC1CCCCO1)N1CC(OCC(F)(F)F)C1,LJGBSXGYNWSLEH-UHFFFAOYSA-N
-rxn:4:184761:224009,COc1ccc(-c2cccc(C(C#N)C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCOCC1,XFNFWLVJEUEAIJ-UHFFFAOYSA-N
-rxn:4:184774:223993,Cc1cc(-c2cccc(CCC(=O)ON3C(=O)CCC3=O)c2)ccc1S(=O)(=O)N1CCN(C)CC1,SWBOPBRKBLSSKF-UHFFFAOYSA-N
-rxn:4:184866:222611,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)c1,IFVUPCYRBSANLE-UHFFFAOYSA-N
-rxn:4:184869:224258,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c(OC)c1,QEIMINPROHCIEB-UHFFFAOYSA-N
-rxn:4:184897:224355,O=C(c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,YOEYHJKLGWHYBG-UHFFFAOYSA-N
-rxn:4:185024:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1cc(OC)ccc1OCC(=O)N1CCCCC1,OLFPMXWBLAKONJ-UHFFFAOYSA-N
-rxn:4:185026:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,NPALDBMAHNLWPZ-UHFFFAOYSA-N
-rxn:4:185048:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCC(C(F)(F)F)CC4)cc3)ccc2OC)CC1,KTNWEGAAOWOYJE-UHFFFAOYSA-N
-rxn:4:185056:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cccc(F)c2OCCCN2CCC(F)(F)CC2)c1,JPXVIZCETJTYLX-UHFFFAOYSA-N
-rxn:4:185062:222549,Cc1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)cnc1NCC(=O)c1ccccc1,SONMPRKLTPSGMZ-UHFFFAOYSA-N
-rxn:4:185091:222524,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1OCCCN1CCOCC1,PTJNBICKZAEHOS-UHFFFAOYSA-N
-rxn:4:185102:224018,CC(C)CN(C(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)o1)C1CCS(=O)(=O)C1,OMWGIVSUVXHAAG-UHFFFAOYSA-N
-rxn:4:185107:224488,CC(C)N(C(=O)c1ccc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)cc1)C(C)C,XODIHDRWQLPAMN-UHFFFAOYSA-N
-rxn:4:185113:227577,CCOc1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc(Cl)c1F,QCJDKEOOBZLEOC-UHFFFAOYSA-N
-rxn:4:185139:224846,CCC1CCC(c2ccc(-c3cc(CCN4CCC(C(=O)OC)CC4)ccc3F)cc2)CC1,ABALKEBAIUGCRZ-UHFFFAOYSA-N
-rxn:4:185170:222622,CCC(C)c1cc(-c2ccccc2C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc(C2CCCNC2)n1,GHWBXDNVSUPPBF-UHFFFAOYSA-N
-rxn:4:185281:224952,O=C(c1ccc(Cl)cc1)N(Cc1cccc(-c2cccc(CCN3CCOCC3)c2)c1)C1CCS(=O)(=O)C1,PPTNEGXJTICWRC-UHFFFAOYSA-N
-rxn:4:185284:224155,CN1CCN(c2cc(-c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)C3CCS(=O)(=O)C3)cc(C3CC3)c2)CC1,JZWDTIFNFUOEFS-UHFFFAOYSA-N
-rxn:4:185303:222870,CCOc1ccc(-c2cc(F)cc(C(=O)NCC(C)C)c2)cc1S(=O)(=O)N(C)C1CCCCC1,ZVEFUIQCAOOYRG-UHFFFAOYSA-N
-rxn:4:185305:226448,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1cnc(Cl)c(C2CCCC2)c1,OUKORWIYXIPJGY-UHFFFAOYSA-N
-rxn:4:185307:224826,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cnc(C(F)(F)F)c(C(=O)OCC)c1,CEOLPZXNVRJOOG-UHFFFAOYSA-N
-rxn:4:185313:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1,FOBINQGFQFRWRN-UHFFFAOYSA-N
-rxn:4:185352:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,FYIGMYPQOWWZAE-UHFFFAOYSA-N
-rxn:4:185355:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,FCECCYPHPPXLOF-UHFFFAOYSA-N
-rxn:4:185375:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,JICVVGOOLMIVIN-UHFFFAOYSA-N
-rxn:4:185376:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)n1,WOUICAYOYJHIBB-UHFFFAOYSA-N
-rxn:4:185376:224389,Cc1ccn(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(S(=O)(=O)CC(C)C)C3)c(C(F)(F)F)c2)n1,JKLRMGLKCWVWBH-UHFFFAOYSA-N
-rxn:4:185386:222654,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)c2)C1,KSYCKUXXFQHWPW-UHFFFAOYSA-N
-rxn:4:185415:225943,O=C(c1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCOCC1,ASAAYLSJOLWXLR-UHFFFAOYSA-N
-rxn:4:185614:222951,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cnc(NC(C)=O)cc1C(F)(F)F,HRELVWUOLUOQSQ-UHFFFAOYSA-N
-rxn:4:185614:228293,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cnn(CCN(C)C)c1,XPFYCPLNFVTAEJ-UHFFFAOYSA-N
-rxn:4:185827:223695,COC(=O)Cc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(F)c1C#N,PUIORKBAUMCXCV-UHFFFAOYSA-N
-rxn:4:185850:223830,CCOC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc(C#N)c1F,AYAQDPQKZORPIP-UHFFFAOYSA-N
-rxn:4:186134:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1S(C)(=O)=O,JBFLSZGFGDGDOM-UHFFFAOYSA-N
-rxn:4:186135:224317,CN1CCN(C(=O)c2ccc(-c3cc(OC(F)(F)F)c(S(C)(=O)=O)cc3[N+](=O)[O-])c(F)c2)CC1,ZVNNHWGHIFNYQF-UHFFFAOYSA-N
-rxn:4:186629:222678,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CNC(=O)OC(C)(C)C)c(F)c1,JIWWDQBXQUNDMT-UHFFFAOYSA-N
-rxn:4:186629:224199,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(CN2CCN(C(C)=O)CC2)cc1,NKSBOOHYTMIHKV-UHFFFAOYSA-N
-rxn:4:186660:223785,CCN1CCN(CCOc2ccc(-c3cccc(OC)c3C(=O)ON3C(=O)CCC3=O)cc2Cl)CC1,NAHVBLIHYCWYSZ-UHFFFAOYSA-N
-rxn:4:186669:223687,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1OCCN(C)C,FKZBVMGDGCHBOC-UHFFFAOYSA-N
-rxn:4:186761:222389,CCN(CC)C(=O)c1cc(C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,LFTOOXKEKLVYOC-UHFFFAOYSA-N
-rxn:4:186806:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OC(F)F)cc1)C1CCCCC1,PRAANZSXKNSHNY-UHFFFAOYSA-N
-rxn:4:186817:225520,CCCCOC(=O)c1cccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCOCC3)c2)c1,YACITYDYUSUDQB-UHFFFAOYSA-N
-rxn:4:186820:225209,Cc1nc(N2CCCCC2C)ncc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCSCC2)c1,PGAQHBMBJMYKPJ-UHFFFAOYSA-N
-rxn:4:186821:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc(OC(F)(F)F)cc(C(=O)N4CCOCC4)c3)cc21,LALOQEDCBDJDFW-UHFFFAOYSA-N
-rxn:4:186866:224323,Cc1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)cc(C)c1S(=O)(=O)N1CCCC1,JFMLHCJUGZCHIQ-UHFFFAOYSA-N
-rxn:4:186893:223970,Cc1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,MDICVXGLGXBGNC-UHFFFAOYSA-N
-rxn:4:186943:224316,CCOC(=O)c1ccc(N2CCCC2)c(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)c1,ANDVBUGJOXCMEX-UHFFFAOYSA-N
-rxn:4:187055:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(OCC2CCCCC2)cc([N+](=O)[O-])c1,DKYBIHKHMHQGIJ-UHFFFAOYSA-N
-rxn:4:187131:223992,COc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(OC)c1CN1CCC(F)(F)C1,NONAJCSRPTUWPI-UHFFFAOYSA-N
-rxn:4:187253:225718,COC(COc1cccc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)c1)OC,TVESXXXDSWZRCH-UHFFFAOYSA-N
-rxn:4:187311:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C)C1,DIHMCAAWQAXNOV-UHFFFAOYSA-N
-rxn:4:187352:224375,CC(C)[Si](c1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)s1)(C(C)C)C(C)C,BBXQPFJUUANHFN-UHFFFAOYSA-N
-rxn:4:187383:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CC(=O)CN3C(=O)OC(C)(C)C)cc2)cc1,OQJOKMMAXZMQSY-UHFFFAOYSA-N
-rxn:4:187383:224705,CC1CCN(c2ccc(-c3ccc(C4CC(=O)CN4C(=O)OC(C)(C)C)cc3)c(F)c2F)CC1,HBXYUNPHZQBHFK-UHFFFAOYSA-N
-rxn:4:187408:222916,CC(CS(=O)(=O)c1ccc(-c2cccc(C(=O)NC3=NCCS3)c2)cc1)N1CCCCC1,VXRALRZYAGJOME-UHFFFAOYSA-N
-rxn:4:187558:224420,Cc1cc2c(cc1-c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3=O)cc1)C(C)(C)CCC2(C)C,PJXSDIKDBFREQH-UHFFFAOYSA-N
-rxn:4:187589:222522,COc1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1S(=O)(=O)N1CCC(O)CC1,YLDXMACMUJOEJT-UHFFFAOYSA-N
-rxn:4:187611:223785,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(C4SCCN4S(=O)(=O)c4cccc(C)c4)c3)cc2Cl)CC1,HYZFYMLXEGLZMQ-UHFFFAOYSA-N
-rxn:4:187648:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1,XQVGTQNBTJLKTL-UHFFFAOYSA-N
-rxn:4:187659:224772,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cc2)CC1,XQGAHZLFZHUGAO-UHFFFAOYSA-N
-rxn:4:187661:224039,Cc1c(-c2c(OCCC(C)C)ccc3ccccc23)cccc1C1CCN(C(=O)OC(C)(C)C)CC1,UPESLYYUSSORAL-UHFFFAOYSA-N
-rxn:4:187668:224269,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cc1,ZTSMNGONYXCVLJ-UHFFFAOYSA-N
-rxn:4:187678:224680,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4cc(C(=O)N5CCCCC5)ccc4F)cc3)C2)cc1,VQQXJJKFDPDKQK-UHFFFAOYSA-N
-rxn:4:187822:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CN(CC(=O)OC(C)(C)C)C2=O,FSCXBBGUMBPTLA-UHFFFAOYSA-N
-rxn:4:187870:223841,CCOC(=O)c1cn(C2CC2)c2c(C)c(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)ccc2c1=O,VQMVKCQXXPBXBB-UHFFFAOYSA-N
-rxn:4:187879:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)c1,HWGLGEWGPJKBSG-UHFFFAOYSA-N
-rxn:4:187896:223898,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,KRDXVSOKRJUJQN-UHFFFAOYSA-N
-rxn:4:187916:223063,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)nc(C2CCNCC2)c1,JFWFIVPWDIYXDX-UHFFFAOYSA-N
-rxn:4:187916:224589,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(F)cc1CN1CCC(C)CC1,DWTPHQWJIRSJLC-UHFFFAOYSA-N
-rxn:4:187916:225447,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(OC2CCCCC2)cc1,RZMUNSRCZSRCFX-UHFFFAOYSA-N
-rxn:4:187943:226064,COc1ccc(-c2ccc(C3CCCCC3)cc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,YJOANCHDYVDLPE-UHFFFAOYSA-N
-rxn:4:187960:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2oc(=O)c(-c3cc(=O)oc4cc(OC(=O)N(C)C)ccc34)cc2c1,KFAMMIAGRHUCNY-UHFFFAOYSA-N
-rxn:4:187961:222779,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccncc3CNC(=O)OC(C)(C)C)cc1)CC(C)(C)CC2=O,QHHDZSMSUZKYEO-UHFFFAOYSA-N
-rxn:4:187970:224280,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c2ccccc21,AARUFDDEWQUZDB-UHFFFAOYSA-N
-rxn:4:187990:223550,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccccc2COc2c(C(C)C)cccc2C(C)C)cc1,VDJVNJCTVNCHGI-UHFFFAOYSA-N
-rxn:4:187990:223809,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1,PPJVTUOXMKFLII-UHFFFAOYSA-N
-rxn:4:187991:224885,CC1CCN(Cc2ccccc2-c2ccccc2C(=O)Oc2ccc(N3C(=O)C4CCC(C)CC4C3=O)cc2)CC1,JGSKSUKTEFVPRX-UHFFFAOYSA-N
-rxn:4:188006:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,VZGMZCKQRDMSOW-UHFFFAOYSA-N
-rxn:4:188026:225200,CC(C)c1ccc(C2c3c(oc4ccc(-c5ccc(F)c(OC6CCCC6)c5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,FNJOBHUJXXBEMH-UHFFFAOYSA-N
-rxn:4:188027:223041,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5cc(C(=O)NC6CC6)ccc5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,FQOLTPAYSNZBJK-UHFFFAOYSA-N
-rxn:4:188511:223506,CCCOc1ncccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BHOOZCHDKUEKKP-UHFFFAOYSA-N
-rxn:4:188681:222538,NS(=O)(=O)c1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1OC(F)(F)F,XNUIKZGJTMESNL-UHFFFAOYSA-N
-rxn:4:188681:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)CC1,XPWSPXYVFQYRON-UHFFFAOYSA-N
-rxn:4:188681:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)c(F)cc2C)CC1,BKHZNTIPOPXILR-UHFFFAOYSA-N
-rxn:4:188681:223754,CC1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2Cl)CC1,FITVKSZCSSHXNW-UHFFFAOYSA-N
-rxn:4:188681:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)c1,SVQYXWUINLAOJB-UHFFFAOYSA-N
-rxn:4:189294:223504,COc1ccc(C(C)(C)C#N)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,MFTQABDLWDXKRX-UHFFFAOYSA-N
-rxn:4:189719:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1cc(F)c([N+](=O)[O-])c(OC2CCOCC2)c1,BZSQPKHWQRLBFW-UHFFFAOYSA-N
-rxn:4:189840:223712,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,UQCLWCBRZJWAIO-UHFFFAOYSA-N
-rxn:4:189866:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,RABWGTLGJXUFIR-UHFFFAOYSA-N
-rxn:4:189867:222467,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c2ccccc12,MTKWVWDTBAZRJO-UHFFFAOYSA-N
-rxn:4:189932:224398,COc1cc(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)ccc1C(=O)N1CCOCC1,QSTDBBGPPRMGDU-UHFFFAOYSA-N
-rxn:4:189971:222702,FC1(F)CCN(c2cc(OC(F)(F)F)cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CC1,ALHMDKFVGPSYCJ-UHFFFAOYSA-N
-rxn:4:190058:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)CC1,DMWWLDQEARUGOL-UHFFFAOYSA-N
-rxn:4:190100:223480,Cc1cc(-c2ccc(F)cc2CCN2CCCCC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,TXBWDRUEVXXLBP-UHFFFAOYSA-N
-rxn:4:190163:223048,O=C(NC1CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)cc2)c1F,UYQNGOJGYZMSJI-UHFFFAOYSA-N
-rxn:4:190169:223026,CCCNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(F)(F)C2)cc1F,OTQIEQHQBGOSIT-UHFFFAOYSA-N
-rxn:4:190223:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C3(C(=O)N4CCOCC4)CC3)c2)cc1,SNPAYYOSABGDOK-UHFFFAOYSA-N
-rxn:4:190227:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)CC1,XGYGIHZWBOXBBR-UHFFFAOYSA-N
-rxn:4:190260:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(C3CCCN3C(=O)C(C)C)cc1)n2C(=O)OC(C)(C)C,XJGKESPPUKGGEZ-UHFFFAOYSA-N
-rxn:4:190300:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(C=C4SC(=S)N(c5ccc(F)cc5)C4=O)c3)c(F)c2)CC1,GNVWUGPVWFFLQC-UHFFFAOYSA-N
-rxn:4:190315:222616,CC1CCN(CCc2ccc(F)c(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c2)CC1,RRBBXZMKCBDBAD-UHFFFAOYSA-N
-rxn:4:190364:224100,COc1ccc(CN2CCC(C)CC2)cc1-c1ccccc1OCCN1CCC(C)CC1,KECLDIVQUSSVMZ-UHFFFAOYSA-N
-rxn:4:190366:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4CC4CCC4)cc3)cc2)CC1,OGECAZDXPQJQEU-UHFFFAOYSA-N
-rxn:4:190374:222944,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CCCCC1C,SSZLGCZOXBNPJG-UHFFFAOYSA-N
-rxn:4:190375:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,RHLHYNBTLNYFRP-UHFFFAOYSA-N
-rxn:4:190376:222623,CCC(C)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc(C2CCNCC2)n1,UTMDJNNGNPWTKX-UHFFFAOYSA-N
-rxn:4:190389:222920,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)NC4CC4)cc3C)c2)CC1,JAXQIYHSLZUFEJ-UHFFFAOYSA-N
-rxn:4:190393:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,ZFCLNBBFPAMFBP-UHFFFAOYSA-N
-rxn:4:190413:223005,COc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c(C(=O)N2CCC(=C3CC3)CC2)c1,MFHFHSOTIJBJID-UHFFFAOYSA-N
-rxn:4:190433:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,QRMBSROIONMRLE-UHFFFAOYSA-N
-rxn:4:190475:223786,CN1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,NCJVARAVTSBDES-UHFFFAOYSA-N
-rxn:4:190475:224404,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1,RTWJOAZGPRPOFJ-UHFFFAOYSA-N
-rxn:4:190484:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)N4CCC(c5ccccc5Cl)S(=O)(=O)CC4)c3)c(F)ccc21,HATXSMHLUZYKFO-UHFFFAOYSA-N
-rxn:4:190497:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(CN3CCCC(C)C3)cc(C(C)(C)C)c2)cc1,SNGARXWYMVLTLW-UHFFFAOYSA-N
-rxn:4:190690:223748,CCOC(=O)c1[nH]c2c(c1-c1cc(N3CCCCC3)cc(N3CCCCC3)c1)CCCC2=O,RVPBALZGDHJRFC-UHFFFAOYSA-N
-rxn:4:190772:222584,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,JQHRXMIGBXYICX-UHFFFAOYSA-N
-rxn:4:190772:223492,Cc1cc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZUGUHWMHQVQFFW-UHFFFAOYSA-N
-rxn:4:190772:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,SJSQDDHQVHOLAL-UHFFFAOYSA-N
-rxn:4:190772:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,NBEUEERNSIGITP-UHFFFAOYSA-N
-rxn:4:190772:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)c2)CC1,VWNRVTAHKFKGFX-UHFFFAOYSA-N
-rxn:4:190772:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)s2)CC1,XNWCNTUXOZZEGL-UHFFFAOYSA-N
-rxn:4:190772:223696,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,GFOBECOZHVMTDL-UHFFFAOYSA-N
-rxn:4:190772:223698,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1,SKRJIVUJFGOSQN-UHFFFAOYSA-N
-rxn:4:190772:223785,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2Cl)CC1,MQJXHJFZXYXCIS-UHFFFAOYSA-N
-rxn:4:190772:223786,CN1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2Cl)CC1,UAEAJJTXNLBECN-UHFFFAOYSA-N
-rxn:4:190772:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)ccc21,LWIBPNKGPMPHPR-UHFFFAOYSA-N
-rxn:4:190772:223979,O=C(c1cc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)cc([N+](=O)[O-])c1)N1CCCCC1,FVJYSAHQNIPOTD-UHFFFAOYSA-N
-rxn:4:190772:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,CICLDTPEGKBTHP-UHFFFAOYSA-N
-rxn:4:190772:224360,COC(=O)c1ccc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)n1C(=O)OC(C)(C)C,BIRMEQYQCPZKPW-UHFFFAOYSA-N
-rxn:4:190822:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2=O,WXSFHSWZDIKGHF-UHFFFAOYSA-N
-rxn:4:190828:223945,CC(C)(C)OC(=O)N1C(=O)Cc2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc21,WDRHKVKWIIYROO-UHFFFAOYSA-N
-rxn:4:190896:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc4c3cc(C)n4C(=O)OC(C)(C)C)cc21,AHTZWHLOAYSOGE-UHFFFAOYSA-N
-rxn:4:190927:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2=O,CGEGJVLVGDKHOI-UHFFFAOYSA-N
-rxn:4:190934:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)cc1F,FTNIXWHJEXURAJ-UHFFFAOYSA-N
-rxn:4:190934:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)CC2,PKSHKNAFWDIATL-UHFFFAOYSA-N
-rxn:4:190952:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,IATJWZFGVNZUEC-UHFFFAOYSA-N
-rxn:4:190956:223771,COc1ccc2c(c1)cc(-c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)n2C(=O)OC(C)(C)C,MHPWMGQXRKZSNU-UHFFFAOYSA-N
-rxn:4:190984:225091,CCCCOc1c(OC)ccc(-c2cccc(C(=O)N3C4CCC3CC(SC)C4)c2)c1F,ZITNDMYTZZMUOZ-UHFFFAOYSA-N
-rxn:4:190985:224009,COc1ccc(-c2cccc(C(=O)N3C4CCC3CC(OC)C4)c2)cc1S(=O)(=O)N1CCOCC1,DQVFQHXNVQEXSV-UHFFFAOYSA-N
-rxn:4:191008:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4(C)C)c2)cc1,WWVYRNKNLURYRQ-UHFFFAOYSA-N
-rxn:4:191031:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)ccc1OC,GDBGYQZERKRJOK-UHFFFAOYSA-N
-rxn:4:191057:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1,UGQKNMUYYMJFGW-UHFFFAOYSA-N
-rxn:4:191058:224165,COC(=O)C1CCN(C2CCc3cc(-c4c(C)ccc5c4cnn5C4CCCCO4)ccc32)CC1,WSIOYCDBFBTSAB-UHFFFAOYSA-N
-rxn:4:191058:225833,COC(=O)C1CCN(C2CCc3cc(-c4ccnc(N5CCCCC5)c4F)ccc32)CC1,ZHVVMXLDVHPUCO-UHFFFAOYSA-N
-rxn:4:191062:222957,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCCNC2)c1,YYWMXXPEINNPDO-UHFFFAOYSA-N
-rxn:4:191062:224496,CCN1CCN(Cc2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)CC1,IECDDDROYHHDGO-UHFFFAOYSA-N
-rxn:4:191062:225455,Cc1ccc(N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,VCJQYJJAAPSAIW-UHFFFAOYSA-N
-rxn:4:191062:225640,CC1CCCCN1c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccn1,UKTLALVEBNIOAO-UHFFFAOYSA-N
-rxn:4:191062:227052,CC(C)(C)Sc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1,LRMWHNPWGYLBJM-UHFFFAOYSA-N
-rxn:4:191062:227054,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1C1CC1,QEONBKGCFSLDQV-UHFFFAOYSA-N
-rxn:4:191062:227125,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccccc1C1CCOC1,RTWBFVPOUAKSKL-UHFFFAOYSA-N
-rxn:4:191087:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,VAXPOWXKXGDIIN-UHFFFAOYSA-N
-rxn:4:191088:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,ZEENSYALLXPDAJ-UHFFFAOYSA-N
-rxn:4:191089:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c(F)c1,MTDKHCMKGVGSFE-UHFFFAOYSA-N
-rxn:4:191090:222834,CCC(CC)NC(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,OBOKYILSWYAUSH-UHFFFAOYSA-N
-rxn:4:191092:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C)(C)C2,VZESECNJQXVTDE-UHFFFAOYSA-N
-rxn:4:191092:223623,Cc1cc(C(C)(C)C)ccc1OCc1ccccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C)(C)C2,HGEQKOMYUYKXEO-UHFFFAOYSA-N
-rxn:4:191103:227101,Cc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1C1CC1,BDAFNVDZSCWYBF-UHFFFAOYSA-N
-rxn:4:191105:226094,CC(C)CCOc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,BQXYLOVRHXRQRF-UHFFFAOYSA-N
-rxn:4:191107:225381,COc1cc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc2cc(C(=O)N3CC(C)CC(C)C3)c(=O)oc12,ODIWCRAAZCVYIA-UHFFFAOYSA-N
-rxn:4:191122:223979,COc1ccc(S(=O)(=O)N2c3ccc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cc3C(C)=CC2(C)C)cc1,BGUHWDFUXMIHRV-UHFFFAOYSA-N
-rxn:4:191123:227075,COc1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,ZBSBVGYZDWJEDL-UHFFFAOYSA-N
-rxn:4:191135:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)cnc21,BUQFBKHQVIWXOT-UHFFFAOYSA-N
-rxn:4:191171:225568,COC(=O)C(C)(C)c1ccc(-c2ccccc2C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1,KQEWKYPNQCSAHA-UHFFFAOYSA-N
-rxn:4:191181:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cccc(C4c5c(oc6ccc(Cl)cc6c5=O)C(=O)N4CC4CCCO4)c3)c(F)c2s1,LVRLMNRMFCYAJU-UHFFFAOYSA-N
-rxn:4:191189:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(S(=O)(=O)C3C(=O)N(C)C4(C)CC3c3cc(OC)ccc3O4)cc2)c1,UWPRQRJBNLFFCS-UHFFFAOYSA-N
-rxn:4:191194:224613,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4cccc(N(C)C(=O)OC(C)(C)C)c4)ccc(c23)C1=O,DJJCMKLXKKDWFU-UHFFFAOYSA-N
-rxn:4:191195:223737,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(c3ccccc3)N3CCCC3)cc1)c1c2CCC1,OXOLTEMWGLFYQD-UHFFFAOYSA-N
-rxn:4:191195:228713,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccn(C(C)(C)C)n1)c1c2CCC1,NEHJKBHQOAIREF-UHFFFAOYSA-N
-rxn:4:191520:223504,COC(=O)c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(F)c1,AQUJLQISCUWYHT-UHFFFAOYSA-N
-rxn:4:191711:223480,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],BEDOUUHYMMFSAK-UHFFFAOYSA-N
-rxn:4:192062:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCC2)o1,ZJZZPRJVZGIGTD-UHFFFAOYSA-N
-rxn:4:192772:222522,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)N1CCC(O)CC1,IAAJDAXECXDKPT-UHFFFAOYSA-N
-rxn:4:192772:222541,CSC1=NC(=Cc2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cc2)C(=O)S1,RRBPKDMRMUOKJR-UHFFFAOYSA-N
-rxn:4:192772:222545,CSC1=NC(=Cc2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2)C(=O)S1,LFBQJCMPCBBIAA-UHFFFAOYSA-N
-rxn:4:192772:222598,CSC1=NC(=Cc2ccc(-c3cc(C)c(S(=O)(=O)NC4CCCC4)c(C)c3)cc2)C(=O)S1,AXYUVBJJVFNKDR-UHFFFAOYSA-N
-rxn:4:192772:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,VUFZBYBGVBRZQR-UHFFFAOYSA-N
-rxn:4:192772:223482,CSC1=NC(=Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C(=O)S1,QCYWNPGERYSWQM-UHFFFAOYSA-N
-rxn:4:192772:223490,CSC1=NC(=Cc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,VWFCELPDLYUMMW-UHFFFAOYSA-N
-rxn:4:192772:223492,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)C(=O)S1,KHTHKIUGGKZIML-UHFFFAOYSA-N
-rxn:4:192772:223501,CSC1=NC(=Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)C(=O)S1,NIENWDXJJOBRMA-UHFFFAOYSA-N
-rxn:4:192772:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,SMCWLHOTVSQELF-UHFFFAOYSA-N
-rxn:4:192772:223542,CSC1=NC(=Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)C(=O)S1,CQHDEKKLMJVERW-UHFFFAOYSA-N
-rxn:4:192772:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(C=C3N=C(SC)SC3=O)cc1)n2C(=O)OC(C)(C)C,HQJSXKJIPVILQB-UHFFFAOYSA-N
-rxn:4:192772:223606,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)C(=O)S1,VKSBCQNPSNALBN-UHFFFAOYSA-N
-rxn:4:192772:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2C)CC1,AOWHDPQPHNWTRY-UHFFFAOYSA-N
-rxn:4:192772:223686,CSC1=NC(=Cc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c3)cc2)C(=O)S1,GZAGDXGUWVROQW-UHFFFAOYSA-N
-rxn:4:192772:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C=C4N=C(SC)SC4=O)cc3)c2)CC1,LVDZKLOKEXZJJE-UHFFFAOYSA-N
-rxn:4:192772:223696,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)C(=O)S1,WMLUAHVXXFTAMB-UHFFFAOYSA-N
-rxn:4:192772:223786,CSC1=NC(=Cc2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc2)C(=O)S1,GCHCYOMOOFOESQ-UHFFFAOYSA-N
-rxn:4:192772:223787,CSC1=NC(=Cc2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc2)C(=O)S1,YVWURIOWNJQXPX-UHFFFAOYSA-N
-rxn:4:192772:223831,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,LZJDYDRIOXRQEG-UHFFFAOYSA-N
-rxn:4:192772:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,OQSKCHBYRRSCHG-UHFFFAOYSA-N
-rxn:4:192772:223893,CCN1CCN(CCOc2cccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)c2)CC1,GIBPNAPVVAVLFT-UHFFFAOYSA-N
-rxn:4:192772:223970,CSC1=NC(=Cc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)C(=O)S1,SBTKDAUYAYPWPQ-UHFFFAOYSA-N
-rxn:4:192772:223979,CSC1=NC(=Cc2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2)C(=O)S1,NFIJVYZHJJYTLT-UHFFFAOYSA-N
-rxn:4:192772:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)c2)CC1,UQQPYFJLCBDVGY-UHFFFAOYSA-N
-rxn:4:192772:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2)CC1,QUAMGPFEHAQAQC-UHFFFAOYSA-N
-rxn:4:192772:223985,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)N1CCCCC1,FNLDXCPDHAUDIL-UHFFFAOYSA-N
-rxn:4:192772:224360,COC(=O)c1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)n1C(=O)OC(C)(C)C,MUSFPLGOHZTOIZ-UHFFFAOYSA-N
-rxn:4:193199:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccccc2C2(C#N)CCOCC2)c(F)c(C(F)(F)F)c1,OUZLGZHIJNJYRI-UHFFFAOYSA-N
-rxn:4:193385:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,FHJZBWABFYJAHZ-UHFFFAOYSA-N
-rxn:4:193491:224319,C#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1N1CCC(F)(F)CC1,GBYVTIVPWHIVHB-UHFFFAOYSA-N
-rxn:4:193499:224349,O=C1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,AQLAOOBYGDOJPX-UHFFFAOYSA-N
-rxn:4:193499:224350,O=C1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)c2)CC1,AJDFBTUBKMFTEW-UHFFFAOYSA-N
-rxn:4:193499:224378,O=C1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,GHPBHPRHZNQSBL-UHFFFAOYSA-N
-rxn:4:193500:224349,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,HROLNURPBIMYGG-UHFFFAOYSA-N
-rxn:4:193503:224350,Cc1c(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,NVKAMAMQYUGSMT-UHFFFAOYSA-N
-rxn:4:193504:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(C(=O)N4CCC(F)CC4)c3F)cc2)CC1,NVZFXHOYKLJKSO-UHFFFAOYSA-N
-rxn:4:193518:222852,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(CN3CCC(O)CC3)c2)cc1,IPCUMPIWRRFJPB-UHFFFAOYSA-N
-rxn:4:193518:224958,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(OCC3CCCCO3)c2)cc1,SSWFESUTPKAZIB-UHFFFAOYSA-N
-rxn:4:193605:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c(C(F)(F)F)c1,XJRUJPPYQDMHIJ-UHFFFAOYSA-N
-rxn:4:193616:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C)c(F)c2C(=O)N2CCOCC2)ccc1OC,NGLCECUKVPLVBB-UHFFFAOYSA-N
-rxn:4:193639:222916,O=C(NC1=NCCS1)c1cccc(-c2cccc(N3CCC(F)(F)CC3)c2C(F)(F)F)c1,LXXRHFVODALPKY-UHFFFAOYSA-N
-rxn:4:193685:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,LERNKWISGOOTAL-UHFFFAOYSA-N
-rxn:4:193690:224405,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc(S(=O)(=O)N2CCOCC2)c1,JJAFJJWQKASCQG-UHFFFAOYSA-N
-rxn:4:193692:223897,CC(=O)C1CCCN(c2ccccc2-c2ccc(C)c(OCCCN3CCOCC3)c2)C1=O,YKUVNGHULCLEGI-UHFFFAOYSA-N
-rxn:4:193697:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cc2)CC1,ULHZLPMRQBNBEM-UHFFFAOYSA-N
-rxn:4:193793:223712,COc1ccc(-c2cccc(CN3CCCCC3C)c2)cc1C12CC3CC(CC(C3)C1)C2,QMUMHBONZKVUET-UHFFFAOYSA-N
-rxn:4:193888:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,CRANRAJTZDXCSS-UHFFFAOYSA-N
-rxn:4:193937:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCC4(CC3)OCCS4)c3ccccc23)CC1,FJKWPLMBBRMJTN-UHFFFAOYSA-N
-rxn:4:193960:224672,CCN1CCN(c2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCCCC3)c(Cl)c2)CC1,VRNFTMWOCDYKCB-UHFFFAOYSA-N
-rxn:4:193962:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C,PBRGXCZHBLCPDG-UHFFFAOYSA-N
-rxn:4:193962:224704,Cc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,QOMISECPCSNCAA-UHFFFAOYSA-N
-rxn:4:193964:224672,CCN1CCN(c2ccc(-c3cc(C)cc(S(=O)(=O)N4CCC(C)CC4)c3)c(Cl)c2)CC1,QGJSHMNIJRZTOT-UHFFFAOYSA-N
-rxn:4:193973:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,PPSVDMBJGKMOAW-UHFFFAOYSA-N
-rxn:4:193973:224283,CC(C)(C)Oc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(OC(C)(C)C)n1,JOGUEEQAGJMZTO-UHFFFAOYSA-N
-rxn:4:193990:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=C4CCC4)CC3)cc2)cc1,YTLHSXBGKCNMSR-UHFFFAOYSA-N
-rxn:4:193991:222856,COc1ccc(C2CCNCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C,HTGHOKXUWCFTEQ-UHFFFAOYSA-N
-rxn:4:193995:222826,Cc1cc(C)c(S(=O)(=O)N2CCCCC2C)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,YRKZMTXFDZDEEW-UHFFFAOYSA-N
-rxn:4:193996:222937,Cc1cc(-c2ccc(C(=O)NCC(F)(F)F)cc2)c(S(=O)(=O)N2CCCC(C)C2)cc1C,ZNHMJXZHAVMAEG-UHFFFAOYSA-N
-rxn:4:194001:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(C)cc(C)c(S(=O)(=O)N2CCCCC2)c1C,LEMFPNBBTVVJBG-UHFFFAOYSA-N
-rxn:4:194282:223651,Cc1cc2c(C(=O)C(F)(F)F)c[nH]c2cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C,WFBOIGRVBBQSHG-UHFFFAOYSA-N
-rxn:4:194421:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(C(=O)N2CC3CC2CS3)c1,GQIOFSFBRDPPJB-UHFFFAOYSA-N
-rxn:4:194439:223712,COc1ccc(-c2ccc3c(c2)CCN3C(=O)C(C)C)cc1C12CC3CC(CC(C3)C1)C2,WEGYZDJCASVVGR-UHFFFAOYSA-N
-rxn:4:194572:225186,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(F)c(CN2CCSCC2)c1,AZXNRTXTOXTXPQ-UHFFFAOYSA-N
-rxn:4:194731:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(N3CCC(OC)CC3)CC4)cc2)CC1,IHPGQGXBOMMMMS-BTWCTINZSA-N
-rxn:4:194750:222845,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc1)N1CCNCC1,NDQJLRSPKYEBEC-UHFFFAOYSA-N
-rxn:4:194768:222855,COc1cc(-c2ccc3c(c2)CCCC3N2CCC(OC)CC2)cc(C2CCCNC2)c1,LUYPXHDOHDDIEZ-UHFFFAOYSA-N
-rxn:4:194768:223812,COC1CCN(C2CCCc3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,SOWCBSCWKBFUHL-UHFFFAOYSA-N
-rxn:4:194771:223490,Cc1ccc(-c2ccc3c(c2)C(=O)OC32CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZZRZFNITEAPDMP-UHFFFAOYSA-N
-rxn:4:194780:224772,O=C1CC2(CCN(C(=O)c3cccc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)c3)CC2)Oc2ccccc21,PSPGQFOAYXOOME-UHFFFAOYSA-N
-rxn:4:194781:224663,CN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)cc3)cc2F)CC1,ANQDFAFHZAEMCR-UHFFFAOYSA-N
-rxn:4:194790:222930,O=C1C2C(c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1,FECHUMOICVBDQG-UHFFFAOYSA-N
-rxn:4:194799:226828,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4cc(C(F)(F)F)c(C)cc4Cl)cc3)C(=O)C12,LQMWBPXDXUCNKD-UHFFFAOYSA-N
-rxn:4:194810:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)N2CCCC2=C(C(=O)OC)S3(=O)=O)CC1,AQKQNGWWKJHBMR-UHFFFAOYSA-N
-rxn:4:195710:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(F)c(Cl)cc3S(N)(=O)=O)cn2)CC1,CHDGBKRQFYUZAW-UHFFFAOYSA-N
-rxn:4:197057:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(N2CCC(F)(F)CC2)c1,GBIJEBJAYZZJJX-UHFFFAOYSA-N
-rxn:4:197935:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)cc21,XVXSOIZOMBIFLN-UHFFFAOYSA-N
-rxn:4:197978:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc2)CC1,FYCVGAKCQSNSPH-UHFFFAOYSA-N
-rxn:4:197987:224634,COc1ccc(-c2cccc3c2CCCC3N2CCCC(C)C2)cc1CN1CCOCC1,BVPPTVLLXHDECJ-UHFFFAOYSA-N
-rxn:4:199462:224379,CCOC(=O)Cc1c(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)ccc(C#N)c1[N+](=O)[O-],OEZUDWODHIFOJN-UHFFFAOYSA-N
-rxn:4:199500:222868,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccccc2NC(=O)OC(C)(C)C)cn1,MQPZLMFOUQJWIC-UHFFFAOYSA-N
-rxn:4:199539:224462,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,RDXTVQXGUOKTGO-UHFFFAOYSA-N
-rxn:4:199539:225221,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(N3CCCC(C)C3)ncc2F)cc1,LBBSXENTDLVLDC-UHFFFAOYSA-N
-rxn:4:199589:222935,CC(C)N(Cc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)nc1)C(=O)OC(C)(C)C,WPOJQTGDTCWSAH-UHFFFAOYSA-N
-rxn:4:199625:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C#N)c1,WOFPPSCCRONLID-JOCHJYFZSA-N
-rxn:4:199648:222701,CC(C)(C)OC(=O)N1CCCC1COc1cncc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)c1,YRRWUBNKMGWRSO-UHFFFAOYSA-N
-rxn:4:199655:227472,CCCOc1ncc(Cl)cc1-c1ccccc1CCC(=O)N1CC(CN2C(=O)CCC2=O)C1,HNUFWNRYBQWIMZ-UHFFFAOYSA-N
-rxn:4:199672:222637,CCOC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1,BKUWAYFXXPLHJI-UHFFFAOYSA-N
-rxn:4:199687:225341,CCOc1ccc(OC(F)(F)F)c(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1,VQRDBCZECDWIOE-UHFFFAOYSA-N
-rxn:4:199707:224395,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)n2)C1,NRNBQGPKUPOCKK-UHFFFAOYSA-N
-rxn:4:199719:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,FJYLENUJZWCQQX-UHFFFAOYSA-N
-rxn:4:199726:226612,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cnc(N4CCCCC4)nc3)cc(C#N)c2F)CC1,JXLBTSWGGDIOGT-UHFFFAOYSA-N
-rxn:4:199773:225427,CCCCOc1c(C)cc(-c2ccc(C3=NN(C(=O)CC)C(c4ccc(OC)cc4OC)C3)cc2)cc1C,XGLGHKUHWWHABP-UHFFFAOYSA-N
-rxn:4:199780:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc(-c3cnc(SC4CCCC4)n3-c3ccc(OC(F)(F)F)cc3)cc2)c1,MKWBMKKGVWIFFU-UHFFFAOYSA-N
-rxn:4:199825:223859,CN(Cc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,CIFBLYZDHMHMFM-UHFFFAOYSA-N
-rxn:4:199825:224853,CN(Cc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,DSHQLBFTPPOSTB-UHFFFAOYSA-N
-rxn:4:199863:226283,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(OCC(C)C)ccc1F,YTGGBRGLIWVTMW-UHFFFAOYSA-N
-rxn:4:199863:226612,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cnc(N2CCCCC2)nc1,QTEIKJSIWLCXRA-UHFFFAOYSA-N
-rxn:4:199873:223279,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GIVXWWQUHOCMPF-UHFFFAOYSA-N
-rxn:4:199882:223543,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc(C(C)(C)C)c1,SMSBTDHPYWMNGK-WDYNHAJCSA-N
-rxn:4:199882:224838,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2cc3ccccc3c3ccccc23)cc(C(C)(C)C)c1,HTKOWSFKIMUIGR-RPBOFIJWSA-N
-rxn:4:199883:223279,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,YLBDAQPCOPNSLY-UHFFFAOYSA-N
-rxn:4:199892:224842,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc21,MSICAZMYCODLOY-UHFFFAOYSA-N
-rxn:4:199965:224455,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccccc4CSc4ccc(C)cc4)cc32)SC1=S,XMFUPGWPJQRVCU-UHFFFAOYSA-N
-rxn:4:199999:226131,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccccc3CN3CCCC3)cc2ccn1C(=O)OC(C)(C)C,YZPJUCCMAYEFLD-UHFFFAOYSA-N
-rxn:4:200049:222647,Cc1cc(-c2ccc(-c3nc4ccccn4c3Sc3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)c(C)cc1NC(=O)OC(C)(C)C,CABQTZMHWHYPCX-UHFFFAOYSA-N
-rxn:4:200092:224407,CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,LHTNVFYLUDFZLD-UHFFFAOYSA-N
-rxn:4:200138:223508,COC(=O)Cc1cc(C#N)c(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c([N+](=O)[O-])c1,NEJMOAASUWNLCJ-UHFFFAOYSA-N
-rxn:4:200198:224399,O=C(c1cncc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)c1)N1CC(OCC(F)(F)F)C1,VLCFMZBYVSYVRH-UHFFFAOYSA-N
-rxn:4:200206:222545,CCOC(=O)C(C(C)C)n1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cn1,HIFFEDBXLIOYFJ-UHFFFAOYSA-N
-rxn:4:200270:223995,CN1CCN(c2cc(-c3cccnc3OC3CCN(C(=O)CC(F)(F)F)C3)cc(C(F)(F)F)c2)CC1,ORTWMFPAUITRFB-UHFFFAOYSA-N
-rxn:4:200272:223506,Cc1ccc(COc2cnn(CC(F)(F)F)c2)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FAPYWXMZCSKWSR-UHFFFAOYSA-N
-rxn:4:200308:222931,O=C(C1CC1)N1CCN=C1SCc1ccc(-c2cnc(Cl)c(N3CCCCC3O)c2)cc1,KJKHLURQIUZLOB-UHFFFAOYSA-N
-rxn:4:200385:223104,O=C(Cc1ccc(F)cc1-c1ccc(NC(=O)C(F)(F)F)cc1)N1CCN(CC(F)(F)F)CC1,STJRMJBQVXRBMS-UHFFFAOYSA-N
-rxn:4:200435:223532,CCCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HAEFAIWDXICWHH-UHFFFAOYSA-N
-rxn:4:200445:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2)cc1,IFRVTMUOBFYUGG-UHFFFAOYSA-N
-rxn:4:200475:224286,COCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc2)CC1,WSHVMESITJYQPC-UHFFFAOYSA-N
-rxn:4:200479:225749,COCCN1CCN(S(=O)(=O)c2cccc(-c3cc(C(=O)N(C)C)ccc3OC)c2)CC1,OMHDULXKTVXLBP-UHFFFAOYSA-N
-rxn:4:200494:222621,CC(C)Cc1cc(-c2ccc(C(=O)N3CCCC(COc4ccncc4)C3)o2)cc(C2CCCNC2)n1,UNSARNAGXHXAHH-UHFFFAOYSA-N
-rxn:4:200556:225326,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(CCOC)CC3)cc2)c([N+](=O)[O-])c1,BEBMOTSAEMJSCC-UHFFFAOYSA-N
-rxn:4:200560:225977,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cc(Cl)cnc2N2CCOCC2)CC1,LDIFYNDNEXRWRI-UHFFFAOYSA-N
-rxn:4:200568:223135,CCOc1ccc(-c2cccnc2C2CCCNC2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,AKRWQIJNPYFNLC-UHFFFAOYSA-N
-rxn:4:200577:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,XHHDHAKUEDCEFT-UHFFFAOYSA-N
-rxn:4:200578:224710,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCN=C3c3ccccc3)cc2OCC)cc(C(F)(F)F)c1,ZARDXEWFHYUOOO-UHFFFAOYSA-N
-rxn:4:200599:225358,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C(=O)OC)cc(C(F)(F)F)c1,VCRXLSAQJPAKRK-UHFFFAOYSA-N
-rxn:4:200646:224865,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(CCN4CCCCC4)cc3)c2)CC1,HSXHFDQUACNKNO-UHFFFAOYSA-N
-rxn:4:200654:223858,COc1cc2c(cc1-c1cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c1)-c1ccccc1C2(C)C,ILWFBMREHOIMGT-UHFFFAOYSA-N
-rxn:4:200688:224573,CCN(CC)Cc1ccc(-c2ccc(N3CCCCC3C)cc2C#N)cc1N1CCCCC1,QKIOMMUHOHADLT-UHFFFAOYSA-N
-rxn:4:200691:225186,CC(C)CN(c1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1[N+](=O)[O-])C1CCCCC1,VDOYERQJMOYEGJ-UHFFFAOYSA-N
-rxn:4:200698:223186,COC(=O)c1cc(-c2cnn(C3CCCCO3)c2)ccc1CN1CCN(C(C)C)CC1,ALUQIWHHEOPTAE-UHFFFAOYSA-N
-rxn:4:200711:222612,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)CC1,RHJSXIARHPHHEO-UHFFFAOYSA-N
-rxn:4:200716:228294,CCCOc1ncc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(C(=O)OCC)CC2)cn1,FRKWADDLKLYSAK-UHFFFAOYSA-N
-rxn:4:200717:228424,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(Cl)c(F)cc3OC)cc2C)CC1,WTLXUCNCIXHFFV-UHFFFAOYSA-N
-rxn:4:200725:228742,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc(C#N)c3)cc(C(F)(F)F)c2)CC1,HDRPAEIMANDYAU-UHFFFAOYSA-N
-rxn:4:200735:224042,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(CN2CCc3ccccc32)cc1,ZUELZXYXZVPSBW-UHFFFAOYSA-N
-rxn:4:200767:223897,Cc1cc(OCC2CCCN(C(=O)c3ccc(-c4ccc(C)c(OCCCN5CCOCC5)c4)cc3)C2)ccn1,NHTSRMFRUMNHHX-UHFFFAOYSA-N
-rxn:4:200797:224881,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cccc(CN2CCCCCC2)c1,NHRZEOUPLLQCKE-UHFFFAOYSA-N
-rxn:4:200823:225268,CCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(C(F)(F)F)c1,QTSJKNVPYGFWCE-UHFFFAOYSA-N
-rxn:4:200853:229015,COC(=O)C1CCN(Cc2ccc(-c3ccsc3C(C)C)cc2N2CCOCC2)CC1,QRRKZBNMPVUMGF-UHFFFAOYSA-N
-rxn:4:200860:226009,CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(OC(F)(F)F)cc1OC,ALEVBRVNNIUSSG-UHFFFAOYSA-N
-rxn:4:200864:226907,C[C@@H]1CN(Cc2cccc(-c3cccc4c3CCC43CC3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,MTSBHAMRPQPBKG-LEWJYISDSA-N
-rxn:4:200867:222971,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1ccc(NC(=O)C(C)(C)C)cc1,WWBOUNRNPPBYGP-UHFFFAOYSA-N
-rxn:4:200868:223858,COc1cc2c(cc1-c1ccccc1C(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1)-c1ccccc1C2(C)C,XQFFMDZISCYVMG-UHFFFAOYSA-N
-rxn:4:200870:223279,C[C@@H]1CN(Cc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,PWSHFBVUVNVCGM-BSKKSYLPSA-N
-rxn:4:200924:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)N(CC)CC,MGBFWGKTDVQBMQ-UHFFFAOYSA-N
-rxn:4:201030:223167,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(N5CCNCC5)c4)ccc3oc2=O)CC1,TVSAEPIWKFESDV-UHFFFAOYSA-N
-rxn:4:201031:222563,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cccc(C(=O)NCc4cccc(F)c4)c3)ccc21,LQGYAWDMJYLSLN-UHFFFAOYSA-N
-rxn:4:201051:222656,COc1ccc2oc(C(=O)N3CCC(Oc4ccc(-c5ccc(C(=O)NC6CCCCC6)c(F)c5)cn4)C3)cc2c1,GUXATBLRIGUCRP-UHFFFAOYSA-N
-rxn:4:201087:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(Oc4ccncc4)C5)cc3)cc2)CC1,VZPDLVMDCYGDOM-UHFFFAOYSA-N
-rxn:4:201089:226021,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cc(Cl)ccc4OCC(F)(F)F)ccc3s2)CC1,FJIWSFUSBSOOBL-UHFFFAOYSA-N
-rxn:4:201102:223167,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2ccnc(N3CCNCC3)c2)N2C(=O)CCSC2=N1,ASKWGVJVDUPREN-UHFFFAOYSA-N
-rxn:4:201124:224853,CC1(C)CCC(c2ccc(-c3ccc4c(ccn4CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FNGABLPJDDZLBB-UHFFFAOYSA-N
-rxn:4:201134:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)CC1,HTTTVJHOXZCVDV-UHFFFAOYSA-N
-rxn:4:201134:225984,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)c3ccccc23)CC1,QDWUJVCURATAFC-UHFFFAOYSA-N
-rxn:4:201144:222943,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)cc32)CC1,DISZIKKHGBRHHO-UHFFFAOYSA-N
-rxn:4:201260:223973,COC(=O)c1cc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)c([N+](=O)[O-])cc1C#N,MMYLEDWLAYMUFM-UHFFFAOYSA-N
-rxn:4:201521:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc([N+](=O)[O-])cc1CN(C)C1CC1,XNKAFKVUMZNDPH-UHFFFAOYSA-N
-rxn:4:201555:224100,CC1CCN(CCOc2ccccc2-c2cc(OC(F)(F)F)ccc2-c2nc(C(F)(F)F)cn2C)CC1,XSRATCWYKWAWMS-UHFFFAOYSA-N
-rxn:4:201674:224683,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2cc(F)cc(C(=O)N3CCCCC3)c2)C1=O,XRUFJQVKOHSQJF-UHFFFAOYSA-N
-rxn:4:201687:223712,COc1ccc(-c2cnc(OCCC3CCCCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,AIJGXSLUXPKSMT-UHFFFAOYSA-N
-rxn:4:201728:222638,Cc1cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)ncc1N(C)C(=O)OC(C)(C)C,VPRTXAWLJXWAGH-UHFFFAOYSA-N
-rxn:4:201765:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1,MZSAFLFHUKVOPJ-UHFFFAOYSA-N
-rxn:4:201775:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)c1,SELPCGFLJLDSML-UHFFFAOYSA-N
-rxn:4:201800:223558,COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc3c(c2)CCN(C(=O)OCc2ccccc2)C3)CC1,YNHGBFRYDIDATL-UHFFFAOYSA-N
-rxn:4:201823:224746,CC(=O)N1CCN(c2ccc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)cn2)CC1,PYRFGGPWIYTGDQ-UHFFFAOYSA-N
-rxn:4:201833:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)c2)CC1,HBXKJHKLMFZDNF-UHFFFAOYSA-N
-rxn:4:201834:223035,CC(C)(C)OC(=O)N1CC=C(c2nc(-c3cccnc3NC(=O)C(C)(C)C)cs2)CC1,BFXLLWZGYZUNRP-UHFFFAOYSA-N
-rxn:4:201922:222801,CCN1CCN(CCc2ccc(F)c(-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)c2)CC1,YJDIADWSQBHLAU-UHFFFAOYSA-N
-rxn:4:201923:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1,DUXXFHRLZQJYMO-UHFFFAOYSA-N
-rxn:4:201924:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1,GQOONDUGRRNFSU-UHFFFAOYSA-N
-rxn:4:201930:222910,CCCNS(=O)(=O)c1ccc(-c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C)c1,VGOFEAMOFRZWJH-UHFFFAOYSA-N
-rxn:4:201992:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1,ZZEQYLIBVCEKPO-UHFFFAOYSA-N
-rxn:4:201996:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)cc1,XSMXFDINJVISMY-UHFFFAOYSA-N
-rxn:4:202004:222988,CCOc1ccc(-c2cc(C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,QJDCGXRYDLXWNV-UHFFFAOYSA-N
-rxn:4:202006:223107,CCOc1cc(-c2cnc(OC)c(NS(C)(=O)=O)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DTYHFBCFGFAUMN-UHFFFAOYSA-N
-rxn:4:202067:224826,CCOC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCN(C(C)C)CC2)cnc1C(F)(F)F,UXHFZYAGAQSNAO-UHFFFAOYSA-N
-rxn:4:202112:223507,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,ORCLBUIDIBMVKX-UHFFFAOYSA-N
-rxn:4:202112:224376,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,RWBSAKNKBJSCNB-UHFFFAOYSA-N
-rxn:4:202115:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,SXKOXTZIIFZXLR-UHFFFAOYSA-N
-rxn:4:202158:222732,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(C(=O)NC5CCCCC5)cc4)c3)CC2)cc(=O)o1,VSKSNFDGDJOLCC-UHFFFAOYSA-N
-rxn:4:202163:222972,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1NC(=O)C(C)(C)C,ASGKPRAVSUJQSH-UHFFFAOYSA-N
-rxn:4:202166:222405,O=C1NC(=O)C(c2cccc(-c3cccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)c3)c2)N1,VIDQVPCKTYRVRG-UHFFFAOYSA-N
-rxn:4:202193:223084,CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1,UTTZAQDLNJBNSB-DHIUTWEWSA-N
-rxn:4:202202:222429,O=C(NCc1ccc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)cc1)c1ccc(F)cc1C(F)(F)F,AYHQLGYMOXCJCL-UHFFFAOYSA-N
-rxn:4:202215:224968,COc1ccc(-c2cc(C)ccc2OCC2CCCO2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,AQMNVYZIJFNZLW-UHFFFAOYSA-N
-rxn:4:202231:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,VTRIDKRYLPGZQF-UHFFFAOYSA-N
-rxn:4:202284:223137,COc1ccc(-c2cncc(C3CCCNC3)c2)cc1CN1CCC(N2CCCC2)CC1,RZKRPHRVRQPQPF-UHFFFAOYSA-N
-rxn:4:202284:225007,COc1ccc(-c2cccc(CN3CCCCC3)c2F)cc1CN1CCC(N2CCCC2)CC1,OQOPXMBAFMIKDV-UHFFFAOYSA-N
-rxn:4:202290:222718,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)CC2)C1,XTFPPVKPNLNRCY-UHFFFAOYSA-N
-rxn:4:202310:229053,COCc1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)s1,HBKKBPZLAVDKLR-UHFFFAOYSA-N
-rxn:4:202328:222420,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3S(N)(=O)=O)CC2)CC1,CGPSBIRXDIENTF-UHFFFAOYSA-N
-rxn:4:202348:223078,CCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)c(C)c1,HSGQZTNZEPWLCK-UHFFFAOYSA-N
-rxn:4:202351:228424,COc1cc(F)c(Cl)cc1-c1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1,YZDGSPVLMQCVHH-UHFFFAOYSA-N
-rxn:4:202658:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)c(F)c1,DRTOIZICYJZHOJ-UHFFFAOYSA-N
-rxn:4:202658:223771,COc1ccc2c(c1)cc(-c1ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c1)n2C(=O)OC(C)(C)C,AKFSWVMAYYBDGM-UHFFFAOYSA-N
-rxn:4:202658:223880,Cc1ccc2c(c1)cc(-c1ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c1)n2C(=O)OC(C)(C)C,NCVDEIARMKFBPH-UHFFFAOYSA-N
-rxn:4:202660:222666,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccc(C(=O)Nc4ccccc4F)c3)ccc21,JFOAQPIIGATLBT-UHFFFAOYSA-N
-rxn:4:202661:225371,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cnc(C(F)(F)F)c(C(=O)OC)c3)ccc21,RYYZWXKTXIEQSU-UHFFFAOYSA-N
-rxn:4:202662:224262,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c2)N2C(=O)C(C)SC2=N1,MJMTZFMQNSTIPL-UHFFFAOYSA-N
-rxn:4:202664:222855,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc(C2CCCNC2)c1,RZLXOVWDWSFZDE-UHFFFAOYSA-N
-rxn:4:202676:223636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc21,LHMMNNRMJYIAOA-UHFFFAOYSA-N
-rxn:4:202677:223790,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)ccnc21,UGOUZQPMYPEYOW-UHFFFAOYSA-N
-rxn:4:202677:224160,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)ccnc21,MRZFREMSAMXATF-UHFFFAOYSA-N
-rxn:4:202679:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)nc(Cl)c21,CLCYWEQXJRLKLN-NRFANRHFSA-N
-rxn:4:202680:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CC1,LFUOKZKUXCKPRH-UHFFFAOYSA-N
-rxn:4:202692:225056,COc1ccc(-c2ccc(N3CCCC(C)C3)cc2F)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,OMTVEPRGAJLYLV-UHFFFAOYSA-N
-rxn:4:202695:222592,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)ccc21,QTKGKKYFSSNOEE-UHFFFAOYSA-N
-rxn:4:202695:227242,CCCOc1cccc(F)c1-c1ccc2c(c1)C(=C1SC(=S)N(Cc3ccccc3)C1=O)C(=O)N2CCC,BRGLKPDPRVTQOO-UHFFFAOYSA-N
-rxn:4:202729:225741,CCCCOc1c(F)cc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCCC4)C2=O)C(=O)N3CCCC)cc1Cl,OPIYLXXMKHACHY-UHFFFAOYSA-N
-rxn:4:202757:224285,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4F)c3)c3ccccc3S2(=O)=O)cc1,VXFJILYAWIYVFN-UHFFFAOYSA-N
-rxn:4:202760:226831,CCCn1cc(-c2cc(OC)c3oc(=O)c(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3c2)c(C(F)(F)F)n1,GGTBMLUQXOSDQH-UHFFFAOYSA-N
-rxn:4:202764:224761,O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,LBFYYVBFKJVTCB-UHFFFAOYSA-N
-rxn:4:202807:224941,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1,YSUAADMMOTXOCA-UHFFFAOYSA-N
-rxn:4:202820:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(C=Nc3cc4c5c(c3)C(c3ccccc3)CCN5CCC4c3ccccc3)cc2)cc1,PSPNTMLNPVYIND-UHFFFAOYSA-N
-rxn:4:203243:222615,CC(C)Cc1cc(-c2cnc(Cl)c(C(=O)ON3C(=O)CCC3=O)c2)cc(C2CCNCC2)c1,MESGKZNNVUMTCU-UHFFFAOYSA-N
-rxn:4:203542:224306,N#Cc1cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c(N2CCCC2)cc1C(F)(F)F,UPZAROXGODOXMY-UHFFFAOYSA-N
-rxn:4:203592:224291,O=C(c1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc([N+](=O)[O-])c1)N1CCOCC1,LWQHPZUHPKYNMC-UHFFFAOYSA-N
-rxn:4:203617:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc(C#N)c(C(F)(F)F)cc2N2CCOCC2)cc1,GTQVBUDAGDEBIW-UHFFFAOYSA-N
-rxn:4:203630:222389,CCCc1nc(N2CCOCC2)sc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NUMNXKSMFYFNBN-UHFFFAOYSA-N
-rxn:4:203639:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1S(=O)(=O)N1CCOCC1,XXJOHOMLURINIY-UHFFFAOYSA-N
-rxn:4:203647:223999,COC(=O)c1nc(N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,GYSCRYNWEKYADA-UHFFFAOYSA-N
-rxn:4:203693:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C#N)c(N4CCCC(C(F)(F)F)C4)c3)cc2C1,XNFQKEJIOBFNKX-UHFFFAOYSA-N
-rxn:4:203696:224378,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)CSC2=O)C1,VJMYTIAUTYJJJI-UHFFFAOYSA-N
-rxn:4:203709:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1F,CBIXWNRGVMZNEZ-UHFFFAOYSA-N
-rxn:4:203731:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)ccc2C)CC1,ADYDNKKOBDBUSY-UHFFFAOYSA-N
-rxn:4:203775:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(OC)CC2)c1,HPJOLNPPBUOXDX-UHFFFAOYSA-N
-rxn:4:203783:224676,COc1cc(N2CCC(F)(F)CC2)c(-c2ccccc2C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-],JWHMGMLRHYPDST-UHFFFAOYSA-N
-rxn:4:203796:224746,CC(=O)N1CCN(c2ccc(-c3cccc(N4C(=O)C(=Cc5ccccc5[N+](=O)[O-])SC4=S)c3)cn2)CC1,FRUBJRBRQMBYHR-UHFFFAOYSA-N
-rxn:4:203825:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1,VMTIBQRUCMLPJO-UHFFFAOYSA-N
-rxn:4:203825:222604,COc1ccc(-c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,FMAUYPIDBYRBNS-UHFFFAOYSA-N
-rxn:4:203841:222441,CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5C(=O)COC5=O)C4)cc3)cc2)cc1,RUFFDLVBOCVGOS-UHFFFAOYSA-N
-rxn:4:203841:224017,O=C(c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1)N1CCC(N2C(=O)COC2=O)C1,PTUIGSBXWMTUGG-UHFFFAOYSA-N
-rxn:4:203880:222522,COc1ccc(-c2cccc(CC3CCCN(S(C)(=O)=O)C3)n2)cc1S(=O)(=O)N1CCC(O)CC1,CMLMOWMUQMDZTJ-UHFFFAOYSA-N
-rxn:4:203880:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cccc(CC3CCCN(S(C)(=O)=O)C3)n2)c(F)c1,XKITVPLZFCFOQA-UHFFFAOYSA-N
-rxn:4:203885:223650,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,POMWYCFMORVLMR-UHFFFAOYSA-N
-rxn:4:203895:222628,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)CC1,YQHNYZMJPJYROQ-UHFFFAOYSA-N
-rxn:4:203937:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CCCCC1,TVIOQFQDKKWEAD-UHFFFAOYSA-N
-rxn:4:203938:224672,CCN1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)cc3)c(Cl)c2)CC1,WVPQJWJVYFATRE-UHFFFAOYSA-N
-rxn:4:203939:224672,CCN1CCN(c2ccc(-c3cccc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)c(Cl)c2)CC1,AAQLSKBKUQDESH-UHFFFAOYSA-N
-rxn:4:203949:224365,CCCCOc1cc(-c2cnn(C[C@H]3CC[C@H](C(C)C)CC3)c2)cc(C(F)(F)F)c1F,JDBKQJCRVHGDDE-IYARVYRRSA-N
-rxn:4:203972:223008,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)c(C)c2)CC1,WRSCDCDXJKHMAD-UHFFFAOYSA-N
-rxn:4:203987:226279,Cc1cnc(OCC(C)C)c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,MZTKCSZMNSJXKT-UHFFFAOYSA-N
-rxn:4:203987:227294,Cc1cnc(OC(C)C)c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,GYDGADPOEXWANR-UHFFFAOYSA-N
-rxn:4:204012:222870,CC(C)CNC(=O)c1cc(F)cc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)c1,APGZBOVMCRDZOO-UHFFFAOYSA-N
-rxn:4:204013:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N(C)C)CC1,MDZFDTBBUVUICU-UHFFFAOYSA-N
-rxn:4:204014:224826,CCOC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cnc1C(F)(F)F,RADAHJRJOHZSJE-UHFFFAOYSA-N
-rxn:4:204046:224403,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)CC1,NIWNLGDTODMRMS-UHFFFAOYSA-N
-rxn:4:204056:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1,MHPGFDCOTDRUDT-UHFFFAOYSA-N
-rxn:4:204074:225867,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(Cl)c(N3CCCCC3)c2)CC1,GSDWQNBBCGRFNV-UHFFFAOYSA-N
-rxn:4:204078:222637,Cc1ccc(C2CC(c3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3)=NN2S(C)(=O)=O)cc1,PHPKVPHNXYRHRI-UHFFFAOYSA-N
-rxn:4:204098:225827,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(N3CCN(C)CC3)c2)CC1,IITQFQRFUGSKIS-UHFFFAOYSA-N
-rxn:4:204098:225833,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(N3CCCCC3)c2F)CC1,WJYUQQIAGCHZKY-UHFFFAOYSA-N
-rxn:4:204098:225849,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(N3CCCCC3)cc2F)CC1,FZYSGKNFOWPJRR-UHFFFAOYSA-N
-rxn:4:204102:222943,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2C)CC1,VXFXFTRVVXZNMD-UHFFFAOYSA-N
-rxn:4:204142:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(CN3CCOC(C)C3)c(N3CCOCC3)c2)cn1,ATHGHPJGZGGBRK-UHFFFAOYSA-N
-rxn:4:204153:223569,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c(C)c3)CC2)cc1,QBHFZEVXHMTJDF-UHFFFAOYSA-N
-rxn:4:204158:225313,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCN(C)CC5)nc4F)cc3Cl)CC2)cc1,AUSLWCLXPGUGFH-UHFFFAOYSA-N
-rxn:4:204159:225313,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(N2CCN(C)CC2)nc1F,BLRNCBZGGOZVFF-UHFFFAOYSA-N
-rxn:4:204171:226712,COCCOc1ccc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)c(F)n1,RMTGLJZSMUYQGB-UHFFFAOYSA-N
-rxn:4:204173:225312,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(N2CCCN(C)CC2)nc1,HYFHCEPARBJFRQ-UHFFFAOYSA-N
-rxn:4:204173:225313,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N2CCN(C)CC2)nc1F,LZPBZFGXOCWKHK-UHFFFAOYSA-N
-rxn:4:204174:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCN(C)CC5)nc4)cc3C)CC2)cc1Cl,VSOCAMZILUDDDS-UHFFFAOYSA-N
-rxn:4:204174:225313,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCN(C)CC5)nc4F)cc3C)CC2)cc1Cl,RWLORMAJXDOWLA-UHFFFAOYSA-N
-rxn:4:204180:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cnc(N5CCCN(C)CC5)nc4)c(C)cc3C)CC2)c(C)c1,MSYQMIXKKJEHBP-UHFFFAOYSA-N
-rxn:4:204181:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCN(C)CC5)nc4)cc3C)CC2)c(C)c1,ZWOOCSHZVGKRPC-UHFFFAOYSA-N
-rxn:4:204182:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,IGVABSBOGMJVND-UHFFFAOYSA-N
-rxn:4:204182:225313,Cc1cc(-c2ccc(N3CCN(C)CC3)nc2F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,RJLUBDSLEBVXNX-UHFFFAOYSA-N
-rxn:4:204183:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cnc(N4CCCN(C)CC4)nc3)CC2)c(C)c1,HQXCQODITMEDIA-UHFFFAOYSA-N
-rxn:4:204184:225312,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cnc(N2CCCN(C)CC2)nc1,WECGGJSLTWCRIY-UHFFFAOYSA-N
-rxn:4:204600:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1,QVNUZAAYLXSKMI-UHFFFAOYSA-N
-rxn:4:204602:224395,CC(C)(C)OC(=O)N1CCCc2cc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cnc21,ATBGHRSJJYBVGK-UHFFFAOYSA-N
-rxn:4:204603:222758,Cc1cc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,IQVJWDKRNVAUMW-UHFFFAOYSA-N
-rxn:4:204615:224170,O=C(Oc1c(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc(Cl)c2cccnc12)N1CCCCC1,ANOJBMGGSZROFW-UHFFFAOYSA-N
-rxn:4:204644:222845,CC(c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1)N1CCNCC1,MJHLSFJRCLHABE-UHFFFAOYSA-N
-rxn:4:204683:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cnc21,UPAUMCLIYHVSDT-UHFFFAOYSA-N
-rxn:4:204700:223725,CCCCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)o3)c(F)c2)cc1,PMGORVBMSFARTL-UHFFFAOYSA-N
-rxn:4:204722:222531,Cc1ccc(NC(=O)c2ccc(-c3cccc(N4C(=NC(=O)C(C)C)SC5CS(=O)(=O)CC54)c3)cc2)c(C)c1,WSZZTDMHSWTNAP-UHFFFAOYSA-N
-rxn:4:204722:227815,CCC(C)c1ccccc1-c1cccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)c1,ZDQUZWIDADGDFS-UHFFFAOYSA-N
-rxn:4:204735:222774,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCC(O)CC4)c3)c3ccccc23)CC1,XNRSXGJJVOZLLD-UHFFFAOYSA-N
-rxn:4:204775:226262,CCCCOc1cccc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(F)cc4)C2=O)C(=O)N3CC)c1Cl,WWKKPJUMQCKSGZ-UHFFFAOYSA-N
-rxn:4:204796:226302,CCOC(=O)c1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)c(C)c1,VLZAHJGIZNBKQJ-UHFFFAOYSA-N
-rxn:4:204799:225265,CCCCOc1c(F)cc(F)c(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)c1F,CLZFREXNEYVUOT-UHFFFAOYSA-N
-rxn:4:204800:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)c3ccccc23)cc1,YINCYAFRGPAOIM-UHFFFAOYSA-N
-rxn:4:204808:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1,PUNIUXGLONBGSW-UHFFFAOYSA-N
-rxn:4:204819:223835,Cc1ccc(Cl)cc1N1C(=O)N(Cc2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)c2ccccc2S1(=O)=O,RQYYVEZLSRWFCF-UHFFFAOYSA-N
-rxn:4:204825:223845,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2F)c2ccccc2S1(=O)=O,PRYOZNQHHPBGKQ-UHFFFAOYSA-N
-rxn:4:204831:223664,O=C(C1=CN(c2ccc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,VPIOIASJLNASKN-UHFFFAOYSA-N
-rxn:4:204835:225322,Cn1nc(C(F)(F)F)c2c(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cccc21,DRRLQAGRTVTTMW-UHFFFAOYSA-N
-rxn:4:204842:226339,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(C#N)cc(Cl)c1C1CC1,UQQAOEFPIRTYLA-UHFFFAOYSA-N
-rxn:4:204854:223995,Cc1cccc(C)c1N1C(=O)N(Cc2ccc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O,DDZOKSSDBTYLQV-UHFFFAOYSA-N
-rxn:4:204864:225664,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(N2CCCCC2)cc1Cl,UZLZXOSFPVXEHW-UHFFFAOYSA-N
-rxn:4:205104:223504,COC(=O)c1cnnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,FYQUNLHCSFATEV-UHFFFAOYSA-N
-rxn:4:206037:223598,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)n1C1CCCO1,CZAPOTIHBXUJAU-UHFFFAOYSA-N
-rxn:4:206195:223575,Cc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1C(=O)N1CCC1,BWJFIHDVFHKJAJ-UHFFFAOYSA-N
-rxn:4:206198:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C4CCCC4)ccnc3C#N)cc2C)CC1,VGINJPDOKLGQKK-UHFFFAOYSA-N
-rxn:4:206202:223712,COc1ccc(-c2ncc(Cl)cc2C(=O)N2CCCC2)cc1C12CC3CC(CC(C3)C1)C2,CZPJGIJSWMDDES-UHFFFAOYSA-N
-rxn:4:206232:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(C(=O)N4CCC(F)(F)CC4)cs3)cc2)CC1,RCTAFRUUEYAYKB-UHFFFAOYSA-N
-rxn:4:206232:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(C(=O)N4CCC(F)(F)CC4)cs3)cn2)CC1,XLTRUVSMUBNAOE-UHFFFAOYSA-N
-rxn:4:206232:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C(=O)N4CCC(F)(F)CC4)cs3)ccn2)CC1,GBYHSOZGFHVVOC-UHFFFAOYSA-N
-rxn:4:206253:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3C(=O)N3CCC(F)(F)C3)c2)CC1,XSNZKBITOOAMMX-UHFFFAOYSA-N
-rxn:4:206463:222701,O=S(=O)(c1cncc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)c1)N1CCC(F)(F)C1,MRCWQTLNTHPGIO-UHFFFAOYSA-N
-rxn:4:206490:223815,COc1ncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)n1C1CCCCO1,ATZXESJTZVMADS-UHFFFAOYSA-N
-rxn:4:206648:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCC(F)(F)CC4)ccc3F)c2)CC1,KOYMPIKNVMJWDD-UHFFFAOYSA-N
-rxn:4:206662:223542,CC(C)c1cc(C2CCC2)nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)n1,FKHHLACCDMZYFP-UHFFFAOYSA-N
-rxn:4:206669:223814,COc1nc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cn1C1CCCCC1,JFJLAQBZAMZBDU-UHFFFAOYSA-N
-rxn:4:206697:223894,CN1CCN(CCCOc2cccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)c2)CC1,XDSNBBXZGICWAE-UHFFFAOYSA-N
-rxn:4:206718:223697,Cc1cc(C(=O)N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,RDIOCBAACHOBSL-UHFFFAOYSA-N
-rxn:4:206776:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(=O)N2CCCCC2)n(C)c1,AYXXHXOWXRDMBH-UHFFFAOYSA-N
-rxn:4:206797:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,DUXXGQVGVKLOTB-UHFFFAOYSA-N
-rxn:4:206944:224336,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)nc2)CC1,HFNZHLGOEPVDMW-UHFFFAOYSA-N
-rxn:4:206946:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccc(C4CCCN(S(C)(=O)=O)C4)n3)cc2)CC1,QVBWLICWHJEHOL-UHFFFAOYSA-N
-rxn:4:206948:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)CC1,HCBBYDUUQVZKDC-UHFFFAOYSA-N
-rxn:4:206962:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)cc2)CC1,SJUCHFPAKNOBDS-UHFFFAOYSA-N
-rxn:4:206964:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,ZZDJTLIFNVCKAX-UHFFFAOYSA-N
-rxn:4:206977:222693,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2F)CC1,NMDOEGYHNXZJIP-UHFFFAOYSA-N
-rxn:4:206978:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCC(C)CC1,HRDGPGYHMGAOIU-UHFFFAOYSA-N
-rxn:4:206981:223841,Cc1cc(F)c(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,YAIGITORXVKDDZ-UHFFFAOYSA-N
-rxn:4:207012:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(N4CCN(C5COC5)CC4)c3)c2)C1,OGSVRXZSIBFCKU-UHFFFAOYSA-N
-rxn:4:207023:222542,Cc1cc(C(=O)N2CCN(C)CC2)c(F)c(-c2ccc(C)c(OCCCN3CCNCC3)c2)c1,UQHDSHKIQNIENQ-UHFFFAOYSA-N
-rxn:4:207081:223107,COc1ncc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1NS(C)(=O)=O,AULPYXPUBVJOOD-UHFFFAOYSA-N
-rxn:4:207233:223497,COC(=O)c1ccc2ncc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn12,VTUXHNLWGCLHBK-UHFFFAOYSA-N
-rxn:4:207278:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3c(C(F)(F)F)nc4ccc(C(F)(F)F)cn34)c2)CC1,KGJWPSOALBLTRM-UHFFFAOYSA-N
-rxn:4:207279:222612,O=S(=O)(c1ccc(F)c(-c2nc(C(F)(F)F)n3cc(C(F)(F)F)cc(Cl)c23)c1)N1CCC(O)CC1,RBGHGLAGPLWLPE-UHFFFAOYSA-N
-rxn:4:207669:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)cc1,ISIMCEHLNWEIQC-MRXNPFEDSA-N
-rxn:4:207731:224153,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(N2CCCC2)cc(N2CCCC2)c1,ZQVNZGHDYXYZAR-UHFFFAOYSA-N
-rxn:4:207789:225761,CC(C)Cc1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccco4)C2=O)C(=O)N3C)c([N+](=O)[O-])c1,DBMMOMCJQLIRMB-UHFFFAOYSA-N
-rxn:4:207838:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C(C)(C)C)nn(C4CCCCO4)c3c2)cc1,GGONDMWJYPXJFV-UHFFFAOYSA-N
-rxn:4:207843:224848,CCN1CCN(C2CCCc3cc(-c4ccc([C@H]5CC[C@H](CC)CC5)cc4)ccc32)CC1,PRQXBPAUILVSAL-SOHZNPICSA-N
-rxn:4:207890:222775,Cc1c(-c2ccc(CN3CCC(O)CC3)c(F)c2)cnn1CC12CC3CC(CC(C3)C1)C2,HAVHFTULIKQASJ-UHFFFAOYSA-N
-rxn:4:207943:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C4=O)cc3)cn2)CC1,RLHWRZBVFVUNCW-UHFFFAOYSA-N
-rxn:4:208814:223503,Cc1cc(S(N)(=O)=O)cnc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,XKUMJZOZJMJTQP-UHFFFAOYSA-N
-rxn:4:209698:223490,Cc1ccc(-c2ccc(N3CCCCC3=O)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YDDLYJQWPZGKRD-UHFFFAOYSA-N
-rxn:4:209871:223835,Cc1cc(F)c(-c2cc(Cl)cc(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,AYIYJEHTPIYHJJ-UHFFFAOYSA-N
-rxn:4:209896:222606,CC(C)(C)NC(=O)c1c(-c2cnn(C3CCOC4(CCOCC4)C3)c2)cccc1C(F)(F)F,XEBHCJVHLFAXCH-UHFFFAOYSA-N
-rxn:4:211014:223608,Cc1ccc2cn(C3CCCCO3)nc2c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,IDLDNDSMKRNZQA-UHFFFAOYSA-N
-rxn:4:212523:222730,CCCc1cc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)o2)cc(C2CCNCC2)n1,OTLFMGFIAGSYOF-UHFFFAOYSA-N
-rxn:4:212523:225377,O=C(c1ccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)o1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1,BNIYMLHFGNVWSA-UHFFFAOYSA-N
-rxn:4:212526:224878,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccccc2COC2CCCCC2)CC1,GTMHJGHYEWFQIN-UHFFFAOYSA-N
-rxn:4:212541:224325,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)C1,GTZXGHFLQKBKPL-UHFFFAOYSA-N
-rxn:4:212547:224759,CCOCCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UJECPMQPTOIWOZ-UHFFFAOYSA-N
-rxn:4:212568:222390,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)Nc3cccc(F)c3)c2)cc1,VVRYLKCNYGMYIT-UHFFFAOYSA-N
-rxn:4:212568:222391,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)cc1,HTUNKSRVAVFKIJ-UHFFFAOYSA-N
-rxn:4:212568:222393,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)cc1,JWXOIGUFKQEMMK-OGESRWMOSA-N
-rxn:4:212568:222394,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1,AQRJWMXENAUKJU-OGESRWMOSA-N
-rxn:4:212568:222397,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCCc3c[nH]cn3)cc2)cc1,VTURYTHOWFDIGL-UHFFFAOYSA-N
-rxn:4:212568:222398,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1NC(=O)NC1CC1,LUXPUIIXEDBYSZ-UHFFFAOYSA-N
-rxn:4:212568:222403,CC(C)NC(=S)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GKQQGAWHDNKVDA-UHFFFAOYSA-N
-rxn:4:212568:222404,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1,UVEJFSWLHVAJTP-UHFFFAOYSA-N
-rxn:4:212568:222405,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)cc1,FSUABEGLUPCANK-UHFFFAOYSA-N
-rxn:4:212568:222406,CCNC(=S)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CCVAPKFFEVNKSL-UHFFFAOYSA-N
-rxn:4:212568:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C)cc1,ZMMWJEQWCUJQAV-UHFFFAOYSA-N
-rxn:4:212568:222432,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc1,LWKPOIPKXOSSLE-UHFFFAOYSA-N
-rxn:4:212568:222442,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)cc1,IZOYJGICUKRPLH-UHFFFAOYSA-N
-rxn:4:212568:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)ccc1F,VZILAWJZKJYOAZ-UHFFFAOYSA-N
-rxn:4:212568:222470,COc1ccc(CNC(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,FKTOWEZLPAAMOR-UHFFFAOYSA-N
-rxn:4:212568:222471,COC(=O)c1ccc(NCc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HXEMLQPDOHYHKN-UHFFFAOYSA-N
-rxn:4:212568:222474,Cc1ccccc1CNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,JGAQUFLZEPUNAK-UHFFFAOYSA-N
-rxn:4:212568:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,PXDQGPQAKGPLHY-UHFFFAOYSA-N
-rxn:4:212568:222492,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)cc1,RRUSYCMYMWHEOH-UHFFFAOYSA-N
-rxn:4:212568:222493,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(NC(=O)OCc3ccccc3)c2)cc1,WBYKXOYLDWRILV-UHFFFAOYSA-N
-rxn:4:212568:222496,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1,WHRGWHBIGPQUDH-UHFFFAOYSA-N
-rxn:4:212568:222497,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(Cl)c2)cc1,KTNLWEDZGOMJFI-UHFFFAOYSA-N
-rxn:4:212568:222511,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cc1,UBDJNNJMWSTRLP-UHFFFAOYSA-N
-rxn:4:212568:222514,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC1CCCCC1,ILZLYTZKYMGVIP-UHFFFAOYSA-N
-rxn:4:212568:222515,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1,FSOFOZGEQNTEFC-UHFFFAOYSA-N
-rxn:4:212568:222516,Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DBCRGKRSRHUQKR-UHFFFAOYSA-N
-rxn:4:212568:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(F)(F)F,UFKHCVJRBIBSMP-UHFFFAOYSA-N
-rxn:4:212568:222528,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cc1,TUQKVMGUDAGSNB-UHFFFAOYSA-N
-rxn:4:212568:222534,Cc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)c1C,UFZZDKFDLXWHGY-UHFFFAOYSA-N
-rxn:4:212568:222535,Cc1cccc(NC(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)c1C,TWQNGBQQKJJPHR-UHFFFAOYSA-N
-rxn:4:212568:222536,Cc1ccc(NC(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)c(C)c1,OFTRBZCXPKNNIY-UHFFFAOYSA-N
-rxn:4:212568:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,RIKTVNDGJACDJO-UHFFFAOYSA-N
-rxn:4:212568:222541,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1,LELBCNXMVAZQPG-UHFFFAOYSA-N
-rxn:4:212568:222544,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1,DWSDYOJQAQPBSD-UHFFFAOYSA-N
-rxn:4:212568:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UBAXUWQHWCRAHX-UHFFFAOYSA-N
-rxn:4:212568:222550,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(=O)NCc3ccccc3)c2)cc1,NMIYEQIEFZGAFJ-UHFFFAOYSA-N
-rxn:4:212568:222552,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)cc1,QGGZKWBGJCBTRY-UHFFFAOYSA-N
-rxn:4:212568:222555,COc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,AEBYQRYTXJZCCG-UHFFFAOYSA-N
-rxn:4:212568:222564,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1,ZGFQIYQLXNUZAR-UHFFFAOYSA-N
-rxn:4:212568:222582,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1,RWVSSXQHUGOUIU-UHFFFAOYSA-N
-rxn:4:212568:222584,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,WNKMZZAACCPZEA-UHFFFAOYSA-N
-rxn:4:212568:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,KJNRBGSYAORPQR-UHFFFAOYSA-N
-rxn:4:212568:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)c1,MNDBCQVUXHXSMV-UHFFFAOYSA-N
-rxn:4:212568:222594,Cc1ccc(NS(=O)(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,KNUIWDZBKQBAFU-UHFFFAOYSA-N
-rxn:4:212568:222616,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)c1,PUOJNMMGHHWFCN-UHFFFAOYSA-N
-rxn:4:212568:222619,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1,FCGJQWVYGHEUHW-UHFFFAOYSA-N
-rxn:4:212568:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JOBUUEYZSUMZRS-QHCPKHFHSA-N
-rxn:4:212568:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JLSFXCGRKULMIY-HSZRJFAPSA-N
-rxn:4:212568:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JOBUUEYZSUMZRS-UHFFFAOYSA-N
-rxn:4:212568:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JLSFXCGRKULMIY-QHCPKHFHSA-N
-rxn:4:212568:222645,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1,UJCVGFJJUFVQRX-UHFFFAOYSA-N
-rxn:4:212568:222648,Cc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1NC(=O)OC(C)(C)C,DWQQLFGUFUNHKC-UHFFFAOYSA-N
-rxn:4:212568:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PTKBANYJVKBLFR-UHFFFAOYSA-N
-rxn:4:212568:222699,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1,KOUFGNKOAKCBPP-UHFFFAOYSA-N
-rxn:4:212568:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OXNGEQOQKGLDOV-UHFFFAOYSA-N
-rxn:4:212568:222723,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,KLIQBIKUCBGOHQ-UHFFFAOYSA-N
-rxn:4:212568:222732,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1,ZCAJRWNFCIHOGV-UHFFFAOYSA-N
-rxn:4:212568:222741,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,ZSASFKQPAMXGID-UHFFFAOYSA-N
-rxn:4:212568:222745,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PECORNZNGAZOQE-UHFFFAOYSA-N
-rxn:4:212568:222746,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,CIGVEOYKDDNXCU-UHFFFAOYSA-N
-rxn:4:212568:222747,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCC3CCCO3)cc2)cc1,KYDCQNKECAHKBH-UHFFFAOYSA-N
-rxn:4:212568:222748,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cc1,QWPLJDDFFWRBEB-UHFFFAOYSA-N
-rxn:4:212568:222758,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1NC(=O)OC(C)(C)C,DBCMDZLQQGBNME-UHFFFAOYSA-N
-rxn:4:212568:222773,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)cc1,POMZFDXQWDVCPO-UHFFFAOYSA-N
-rxn:4:212568:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,PGDNAQQAAYVLFH-UHFFFAOYSA-N
-rxn:4:212568:222783,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,MZHPSUPBAGRORW-UHFFFAOYSA-N
-rxn:4:212568:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,SIKSNZFFWYYHBD-UHFFFAOYSA-N
-rxn:4:212568:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MEFCCQZWWYLKKO-UHFFFAOYSA-N
-rxn:4:212568:222801,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC(C)(C)C,YXLUVMTZRAHEOT-UHFFFAOYSA-N
-rxn:4:212568:222802,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(S(=O)(=O)NC(C)(C)C)c1,KKEMXRYZYGMKJF-UHFFFAOYSA-N
-rxn:4:212568:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ATJHKWPLNFUKOS-UHFFFAOYSA-N
-rxn:4:212568:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,GIWWZAKENIQNRH-UHFFFAOYSA-N
-rxn:4:212568:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,YFUUNYZLGDSIGO-UHFFFAOYSA-N
-rxn:4:212568:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QYFZNXJVKHIGGA-UHFFFAOYSA-N
-rxn:4:212568:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,NBMJDSNDBRKJLO-UHFFFAOYSA-N
-rxn:4:212568:222838,CC(C)(C)C(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ZHZGMNUZTNJGRH-UHFFFAOYSA-N
-rxn:4:212568:222842,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCCC3)c2)cc1,NPSDKSHPURSVRR-UHFFFAOYSA-N
-rxn:4:212568:222843,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(=O)NC(C)(C)C)c1,ZUHMSUGUKPKEIQ-UHFFFAOYSA-N
-rxn:4:212568:222850,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCNCC3)ccc2C#N)cc1,LZUYQLLFCAAQNF-UHFFFAOYSA-N
-rxn:4:212568:222853,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(O)CC3)cc2)cc1,MVKPWHUPIFTJEX-UHFFFAOYSA-N
-rxn:4:212568:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JDOLWQLFTATWPS-UHFFFAOYSA-N
-rxn:4:212568:222866,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XZPAJKQJVULUQM-UHFFFAOYSA-N
-rxn:4:212568:222867,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JZUMSXDETNUYEP-UHFFFAOYSA-N
-rxn:4:212568:222875,CC(C)(C)NC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WZGXTOOOCDYYNV-UHFFFAOYSA-N
-rxn:4:212568:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,UJYCKIJTOHVONU-UHFFFAOYSA-N
-rxn:4:212568:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BVUUJCRXOVKKTM-UHFFFAOYSA-N
-rxn:4:212568:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UHPQFQNRJBVSJQ-UHFFFAOYSA-N
-rxn:4:212568:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,PQOHIKMIXICOFI-UHFFFAOYSA-N
-rxn:4:212568:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UTCTTXQLUPSKCU-UHFFFAOYSA-N
-rxn:4:212568:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GPRXXFNVBRRLJL-UHFFFAOYSA-N
-rxn:4:212568:222913,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1,HRDIOWNWPCHFNW-UHFFFAOYSA-N
-rxn:4:212568:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BWNVMNYPPLSVIP-UHFFFAOYSA-N
-rxn:4:212568:222924,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC(C)C,VLTPOYOCHZEFSU-UHFFFAOYSA-N
-rxn:4:212568:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BMSNILXSGQGKDL-UHFFFAOYSA-N
-rxn:4:212568:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NQKRYMFGVDLWIR-UHFFFAOYSA-N
-rxn:4:212568:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,OXXFCHGETJDIFR-UHFFFAOYSA-N
-rxn:4:212568:222948,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,AJGIWGBDWOOTAU-UHFFFAOYSA-N
-rxn:4:212568:222950,CONS(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,PYRACSHRUNZGKR-UHFFFAOYSA-N
-rxn:4:212568:222965,CCCC(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,YBZWTDZQSWRSIQ-UHFFFAOYSA-N
-rxn:4:212568:222967,CC(C)CNC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RJNVHMGCMUBHBK-UHFFFAOYSA-N
-rxn:4:212568:222969,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCC3CC3)cc2)cc1,WPDNHXQBHPBANK-UHFFFAOYSA-N
-rxn:4:212568:222971,CC(C)(C)C(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UZVPRHNIMXAOPF-UHFFFAOYSA-N
-rxn:4:212568:222972,CC(C)(C)C(=O)Nc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GPYCPSFRSXPUCF-UHFFFAOYSA-N
-rxn:4:212568:222973,CC(C)(C)NC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SBAFBNCSIBIJGE-UHFFFAOYSA-N
-rxn:4:212568:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BLAHBKYQRFGVOA-UHFFFAOYSA-N
-rxn:4:212568:222978,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCC3)cc2)cc1,OUIOMZBQTYMWTD-UHFFFAOYSA-N
-rxn:4:212568:222981,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1,ZZPXDHOYYSWGDG-UHFFFAOYSA-N
-rxn:4:212568:222982,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1,NKPJHYZYEZKBNK-MUUNZHRXSA-N
-rxn:4:212568:222984,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(O)C3)cc2)cc1,NKPJHYZYEZKBNK-UHFFFAOYSA-N
-rxn:4:212568:222990,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1,ITOBJAJKPPAELT-UHFFFAOYSA-N
-rxn:4:212568:222995,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCCC(O)C3)c2)cc1,CTSXQEFKWYNNSF-UHFFFAOYSA-N
-rxn:4:212568:223029,CC(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,OPFPMDVSLJLNEP-UHFFFAOYSA-N
-rxn:4:212568:223030,CC(C)OC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SNEBQVUXRCIYJW-UHFFFAOYSA-N
-rxn:4:212568:223031,CCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,SKIKKVNZNWIUEM-UHFFFAOYSA-N
-rxn:4:212568:223053,CC(C)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,IDJQXAAFTVUCDW-UHFFFAOYSA-N
-rxn:4:212568:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VYHHNANADQNHPN-UHFFFAOYSA-N
-rxn:4:212568:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QKSOMGWHJHWWJI-UHFFFAOYSA-N
-rxn:4:212568:223075,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1,CTNDFHVLRZSDAK-UHFFFAOYSA-N
-rxn:4:212568:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,NJJDORGHGSAVCI-UHFFFAOYSA-N
-rxn:4:212568:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,LWEIPXZERJFTEW-UHFFFAOYSA-N
-rxn:4:212568:223084,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1,NEWOMYVKGRNYPA-UHFFFAOYSA-N
-rxn:4:212568:223092,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HOXMFLWNKRTZCP-UHFFFAOYSA-N
-rxn:4:212568:223097,CNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,OXLNHIHRMVKZFT-UHFFFAOYSA-N
-rxn:4:212568:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,YORIXMQZRSCDDO-UHFFFAOYSA-N
-rxn:4:212568:223101,CNS(=O)(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,LKRRTGFCZDBYIU-UHFFFAOYSA-N
-rxn:4:212568:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MBCRKAQRAIJYCV-UHFFFAOYSA-N
-rxn:4:212568:223117,CCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HIANVTZDZUZDMR-UHFFFAOYSA-N
-rxn:4:212568:223120,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1,GGIQJPRMJHOLEW-UHFFFAOYSA-N
-rxn:4:212568:223121,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1,AIHQOMYFRIZRAV-UHFFFAOYSA-N
-rxn:4:212568:223125,CC(C)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,XPJULOBPPJVXPI-UHFFFAOYSA-N
-rxn:4:212568:223126,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)C3CC3)c2)cc1,QBWQFQDQHZBTBC-UHFFFAOYSA-N
-rxn:4:212568:223138,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(C3CCNCC3)c2)cc1,YXEPFDNZPOTZOL-UHFFFAOYSA-N
-rxn:4:212568:223142,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCNC3)nc2)cc1,LVKRCJITZWJJEX-UHFFFAOYSA-N
-rxn:4:212568:223144,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCC(O)C3)cc2)cc1,LNIMLPLFWFYVPY-UHFFFAOYSA-N
-rxn:4:212568:223152,CN(C)C(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QHFUAEOHFNBYAR-UHFFFAOYSA-N
-rxn:4:212568:223165,CC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1C,DQAYATQZNFDNHG-UHFFFAOYSA-N
-rxn:4:212568:223169,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCNCC3)nc2)cc1,URRMJEJSKKHXPL-UHFFFAOYSA-N
-rxn:4:212568:223173,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1,ZMZIVBDIXFKTBX-UHFFFAOYSA-N
-rxn:4:212568:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ANCZEZMAVKNJKW-UHFFFAOYSA-N
-rxn:4:212568:223179,CONC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,FLYKIKJAIDIWOZ-UHFFFAOYSA-N
-rxn:4:212568:223180,CONC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,AOFLKKQIMWUSOP-UHFFFAOYSA-N
-rxn:4:212568:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JLURMQOMLFWTLS-UHFFFAOYSA-N
-rxn:4:212568:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,NNTNQZRQTVTSIJ-UHFFFAOYSA-N
-rxn:4:212568:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,DVCBATKFUHGRKD-UHFFFAOYSA-N
-rxn:4:212568:223185,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CNCCO3)nc2)cc1,HDYANCMEQYGKKK-UHFFFAOYSA-N
-rxn:4:212568:223186,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCCCO3)c2)cc1,OMDCHXHGOORRDP-UHFFFAOYSA-N
-rxn:4:212568:223187,CONS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PFTKFUMCKMTUEI-UHFFFAOYSA-N
-rxn:4:212568:223189,CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,UPESZNXKLYXCQW-UHFFFAOYSA-N
-rxn:4:212568:223195,CC(C)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,KUFHEQBNNDOFRR-UHFFFAOYSA-N
-rxn:4:212568:223198,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CNC3CC3)c2)cc1,AUBNXZYOKMLTNL-UHFFFAOYSA-N
-rxn:4:212568:223201,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C2CCNC2)cc1,HMYBKCMPHWDGHD-UHFFFAOYSA-N
-rxn:4:212568:223202,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(O)CCC3)cc2)cc1,KRQQYTUUSBBMJW-UHFFFAOYSA-N
-rxn:4:212568:223221,CC(=O)NCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ICMSOBUJONFJEZ-UHFFFAOYSA-N
-rxn:4:212568:223228,CCC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SYOJIUCKVXFFBU-UHFFFAOYSA-N
-rxn:4:212568:223229,CC(=O)Nc1ccc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KXTUFMZPPGHURD-UHFFFAOYSA-N
-rxn:4:212568:223241,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C3CCNC3)c2)cc1,SXOCKRNQOQDSAQ-UHFFFAOYSA-N
-rxn:4:212568:223250,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1,PSMSSGRDCQLRGB-UHFFFAOYSA-N
-rxn:4:212568:223255,CONC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QFADWSCVMBUNPX-UHFFFAOYSA-N
-rxn:4:212568:223256,COC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FAYYDBHMXALGQB-UHFFFAOYSA-N
-rxn:4:212568:223258,COC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MQAFSZIBLVLXLZ-UHFFFAOYSA-N
-rxn:4:212568:223270,CC(=O)Nc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JWLYKQVDXSFQIU-UHFFFAOYSA-N
-rxn:4:212568:223272,CNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,GIXSOVQTHYCLFL-UHFFFAOYSA-N
-rxn:4:212568:223274,CNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,CYCNVEHVMIUSSI-UHFFFAOYSA-N
-rxn:4:212568:223278,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCNCC3)c2)cc1,SPVTYIJLXFQAFY-UHFFFAOYSA-N
-rxn:4:212568:223283,CNc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1[N+](=O)[O-],XHAVTCHCWSINPP-UHFFFAOYSA-N
-rxn:4:212568:223289,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RNGIKFHOLWNJRP-UHFFFAOYSA-N
-rxn:4:212568:223475,CC(C)(C)[Si](Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)(c1ccccc1)c1ccccc1,GVXWVANPCYRZSI-UHFFFAOYSA-N
-rxn:4:212568:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,OBHCOYNUJUVXQG-UHFFFAOYSA-N
-rxn:4:212568:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,KLIVALPCSBDROM-UHFFFAOYSA-N
-rxn:4:212568:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)cc1,VYONCOWODNCBNL-UHFFFAOYSA-N
-rxn:4:212568:223556,CC(C)(C)OC(=O)n1c2ccccc2c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,OQNGBKXGBJUTQL-UHFFFAOYSA-N
-rxn:4:212568:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)ccc21,RDYNPCBOQKCIPN-UHFFFAOYSA-N
-rxn:4:212568:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SYVOLODJYTZGCC-UHFFFAOYSA-N
-rxn:4:212568:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C)c1,OLKLXCOJUJLGSJ-UHFFFAOYSA-N
-rxn:4:212568:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc21,GKUBLOXHNKWWQT-UHFFFAOYSA-N
-rxn:4:212568:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,MLXFYNFEXMWQNE-UHFFFAOYSA-N
-rxn:4:212568:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,RVXXYWOCQLWTED-UHFFFAOYSA-N
-rxn:4:212568:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2Cl)CC1,IQGSYRBHXRPLRT-UHFFFAOYSA-N
-rxn:4:212568:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,BQMRNSRRUYZYHZ-UHFFFAOYSA-N
-rxn:4:212568:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,MKLGJYKNVOWFGX-UHFFFAOYSA-N
-rxn:4:212568:223639,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)cc1,GNQKBRSNTBLNKE-UHFFFAOYSA-N
-rxn:4:212568:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)C1,UWYHNXVHUYSCIN-UHFFFAOYSA-N
-rxn:4:212568:223647,COc1cc(COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)cc(OC)c1,DCBAYASGEZDTQD-UHFFFAOYSA-N
-rxn:4:212568:223652,COc1ccc(Cl)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)n(C(=O)OC(C)(C)C)c12,YXOGSWKWAFIHQB-UHFFFAOYSA-N
-rxn:4:212568:223658,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1,OEHAVBJZIJJYMB-UHFFFAOYSA-N
-rxn:4:212568:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,QQTNNFWBBNXNLC-UHFFFAOYSA-N
-rxn:4:212568:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccn2)CC1,KJKDARVMHZUBGG-UHFFFAOYSA-N
-rxn:4:212568:223698,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1,JJRKXEXYXZADKW-UHFFFAOYSA-N
-rxn:4:212568:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,MJSCWZCXWYLEMB-UHFFFAOYSA-N
-rxn:4:212568:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,NNCHQNWWKPYOPK-UHFFFAOYSA-N
-rxn:4:212568:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,WKGGYBHUUQVBJN-UHFFFAOYSA-N
-rxn:4:212568:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)c1,ZSSVKSVVOZMICH-UHFFFAOYSA-N
-rxn:4:212568:223733,CC(C)(C)c1ccc(COc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,APZYQPPLLAUVIW-UHFFFAOYSA-N
-rxn:4:212568:223735,CC(C)(C)c1ccc(COc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,NBPHAFBGUSEGEI-UHFFFAOYSA-N
-rxn:4:212568:223737,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc1,ZQWBISCAPVZDSY-UHFFFAOYSA-N
-rxn:4:212568:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,BYFZPXNDHMIFHF-UHFFFAOYSA-N
-rxn:4:212568:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc12,SDSQBLFGFQMANA-UHFFFAOYSA-N
-rxn:4:212568:223740,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc2c1,FNRIDRZJZQBEMW-UHFFFAOYSA-N
-rxn:4:212568:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FCZHULQCFYUQAF-UHFFFAOYSA-N
-rxn:4:212568:223745,CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HWEMUGWKPAEMDX-UHFFFAOYSA-N
-rxn:4:212568:223746,COC(=O)c1ccc(C#Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,PSNUWFKBTALTGC-UHFFFAOYSA-N
-rxn:4:212568:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc2cccnc12,KZYJGYXFJAKKFV-UHFFFAOYSA-N
-rxn:4:212568:223756,COc1cc(COc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc(OC)c1,LWVYCYINFLDDES-UHFFFAOYSA-N
-rxn:4:212568:223774,COc1cccc2c1cc(-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)n2C(=O)OC(C)(C)C,UBEDGFANTGWHOV-UHFFFAOYSA-N
-rxn:4:212568:223775,COc1ccc2c(c1)c(-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)cn2C(=O)OC(C)(C)C,HVUXJWDKJUWERI-UHFFFAOYSA-N
-rxn:4:212568:223798,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)cc1,IXOLSZHIEDCZDU-UHFFFAOYSA-N
-rxn:4:212568:223809,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1,QTHNZOMJYLIUCN-UHFFFAOYSA-N
-rxn:4:212568:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,MNPYIAPDPOEUKI-UHFFFAOYSA-N
-rxn:4:212568:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2C)CC1,FODNBWZHAJECLR-UHFFFAOYSA-N
-rxn:4:212568:223833,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)cc1,VIMBWNRVVWFTGA-UHFFFAOYSA-N
-rxn:4:212568:223840,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCN(C)CC1,PILDMHVXIVQDOR-UHFFFAOYSA-N
-rxn:4:212568:223841,Cc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CWTFFIMMMSTIMO-UHFFFAOYSA-N
-rxn:4:212568:223858,COc1cc2c(cc1-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)-c1ccccc1C2(C)C,CITKBQHGOYITNJ-UHFFFAOYSA-N
-rxn:4:212568:223859,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1,JTASTDZRSNCIOI-UHFFFAOYSA-N
-rxn:4:212568:223863,CC(C)COc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,BFXUSTXEKMVHGN-UHFFFAOYSA-N
-rxn:4:212568:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,UQPIDOJNLOOGSC-UHFFFAOYSA-N
-rxn:4:212568:223875,CC(C)(C)c1ccccc1Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,WPTSMICTFIOYNR-UHFFFAOYSA-N
-rxn:4:212568:223877,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1OCc1cccc(Cl)c1,FXIOFHKYLCPSOC-UHFFFAOYSA-N
-rxn:4:212568:223880,Cc1ccc2c(c1)cc(-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)n2C(=O)OC(C)(C)C,MOHDTOUJOZXZKI-UHFFFAOYSA-N
-rxn:4:212568:223881,Cc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)n(C(=O)OC(C)(C)C)c2c1,KLMUOPAIJKMFLP-UHFFFAOYSA-N
-rxn:4:212568:223882,Cc1cccc2c1cc(-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)n2C(=O)OC(C)(C)C,UNNOGZJNAZDTKW-UHFFFAOYSA-N
-rxn:4:212568:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,KVHHAHRKJKMFNC-UHFFFAOYSA-N
-rxn:4:212568:223887,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)n(C(=O)OC(C)(C)C)c2ccccc12,BKEQRDIZKUQWLR-UHFFFAOYSA-N
-rxn:4:212568:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,JFNRGRBFAHZNHK-UHFFFAOYSA-N
-rxn:4:212568:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QNYBCCZYHXRBMF-UHFFFAOYSA-N
-rxn:4:212568:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KHMSCSSTDMJDTD-UHFFFAOYSA-N
-rxn:4:212568:223901,CC1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,QSWKNDILRHOWLT-UHFFFAOYSA-N
-rxn:4:212568:223906,COc1ccc(CSc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)cc1,PJXLUZQRCNEXER-UHFFFAOYSA-N
-rxn:4:212568:223909,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)OCc3ccccc3)c(F)c2)cc1,IGNZXZDLGMDBJL-UHFFFAOYSA-N
-rxn:4:212568:223910,COc1ccc(COc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2Cl)cc1,UYOOTMKEOHOTCT-UHFFFAOYSA-N
-rxn:4:212568:223911,CCOC(=O)C1(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CCOCC1,KKDNDQYEBRCPAX-UHFFFAOYSA-N
-rxn:4:212568:223912,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OCc2ccccc2)c1Cl,JJDOFYOBWNGCCZ-UHFFFAOYSA-N
-rxn:4:212568:223919,CN(C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl)C1CCCCC1,CTAUPBHSBJPYFG-UHFFFAOYSA-N
-rxn:4:212568:223920,CN(C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1)C1CCCCC1,WYVULJJXGAKIOI-UHFFFAOYSA-N
-rxn:4:212568:223922,CN(C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl)C1CCCCC1,NNIGAYOZRHUVEK-UHFFFAOYSA-N
-rxn:4:212568:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WOPYCPITXYTTBQ-UHFFFAOYSA-N
-rxn:4:212568:223931,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2ccc(Cl)cc21,ZNODOLSCXLLUPJ-UHFFFAOYSA-N
-rxn:4:212568:223932,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2c(Cl)cccc21,KKBXSUCFJCZDJO-UHFFFAOYSA-N
-rxn:4:212568:223934,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2ccc(F)cc21,NNPFFBUKGQOTEL-UHFFFAOYSA-N
-rxn:4:212568:223936,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2c(F)cccc21,BQDOPJSSTQEVIY-UHFFFAOYSA-N
-rxn:4:212568:223937,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cccc(Cl)c21,ULATXYBRCJTGFK-UHFFFAOYSA-N
-rxn:4:212568:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,LZTSZLDPAZVDNG-UHFFFAOYSA-N
-rxn:4:212568:223950,CN(C)c1nc(OCc2ccccc2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ILCKEWICOIZTFX-UHFFFAOYSA-N
-rxn:4:212568:224004,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(Cl)c(-c3ccc(C(F)(F)F)cc3)c2)cc1,VEAMWUMXZCYQPM-UHFFFAOYSA-N
-rxn:4:212568:224016,CN(C)S(=O)(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(-c2ccccn2)n1,HCXXIMWEEAFLKU-UHFFFAOYSA-N
-rxn:4:212568:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,AJPLRNYMYROVAX-QVYRIUEQSA-N
-rxn:4:212568:224039,CC(C)CCOc1ccc2ccccc2c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GDPACERUMYIZLG-UHFFFAOYSA-N
-rxn:4:212568:224063,CC1CCCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc(C3CC3)c2)C1,RWCHQNVBDFDPEY-UHFFFAOYSA-N
-rxn:4:212568:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,VCGRAWZUNDHXBM-UHFFFAOYSA-N
-rxn:4:212568:224077,CC(C)(C)[Si](C)(C)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc21,POYHAQPTYVKPPY-UHFFFAOYSA-N
-rxn:4:212568:224078,CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc21,ZIMSNTHOQQLIPN-UHFFFAOYSA-N
-rxn:4:212568:224080,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1,CFPWYYPPSBMNJT-UHFFFAOYSA-N
-rxn:4:212568:224087,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCN3CCCCCC3)c2)cc1,DPHWJWXZFQKJTA-UHFFFAOYSA-N
-rxn:4:212568:224101,CC1CCN(CCOc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,YSERYOKBEPBOFA-UHFFFAOYSA-N
-rxn:4:212568:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)C1CCCCC1,UXRAVISTKJZOIJ-UHFFFAOYSA-N
-rxn:4:212568:224129,CN(C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)C1CCCCC1,XIFGLJPCNRVLQF-UHFFFAOYSA-N
-rxn:4:212568:224156,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2ccccc21,NFIOYYIARJHONT-UHFFFAOYSA-N
-rxn:4:212568:224157,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc21,JSRNRBPASOGBDX-UHFFFAOYSA-N
-rxn:4:212568:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,OOBLQLHDQJRKSN-UHFFFAOYSA-N
-rxn:4:212568:224159,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc21,GOPUSSPNGPKSHT-UHFFFAOYSA-N
-rxn:4:212568:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,KTBZXLHRGOGLCO-UHFFFAOYSA-N
-rxn:4:212568:224169,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCCN3CCOCC3)c2)cc1,FMDMSEPQKITYSG-UHFFFAOYSA-N
-rxn:4:212568:224172,CN(Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)C(=O)OC(C)(C)C,OPWMVKUUQCCEDD-UHFFFAOYSA-N
-rxn:4:212568:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,AHKZFSHAXDJKOV-UHFFFAOYSA-N
-rxn:4:212568:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KNMMBGATQFCHSO-UHFFFAOYSA-N
-rxn:4:212568:224176,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cc1,LADVRSOZDFCXPV-UHFFFAOYSA-N
-rxn:4:212568:224179,CN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,HLSGUGXCGWHOMY-UHFFFAOYSA-N
-rxn:4:212568:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1)C(C)C,KDMIXTDLCTZJLX-UHFFFAOYSA-N
-rxn:4:212568:224189,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1O[Si](C)(C)C(C)(C)C,BFKWTYITHYNQPV-UHFFFAOYSA-N
-rxn:4:212568:224268,CC(C)(C)OC(=O)n1ncc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,AYLMXSJBVWACKK-UHFFFAOYSA-N
-rxn:4:212568:224274,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cnccc21,HLYYNRYJXQTOOW-UHFFFAOYSA-N
-rxn:4:212568:224277,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccnc21,SIIPTRCTEMFOFS-UHFFFAOYSA-N
-rxn:4:212568:224278,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc21,LVBUXOWPWBFAIT-UHFFFAOYSA-N
-rxn:4:212568:224282,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc12,ISNLRXLHIDFXPY-UHFFFAOYSA-N
-rxn:4:212568:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,QAXPHUINJPFGOR-UHFFFAOYSA-N
-rxn:4:212568:224292,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1S(=O)(=O)OCC(C)(C)C,LHCXNOPKMXVIQP-UHFFFAOYSA-N
-rxn:4:212568:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,UGLIGSQGEPPQPS-UHFFFAOYSA-N
-rxn:4:212568:224324,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCC(=O)CC3)c2)cc1,DSUVLPQGJFPDMY-UHFFFAOYSA-N
-rxn:4:212568:224356,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2sc(Cl)cc21,NYSVEVNZQODMHD-UHFFFAOYSA-N
-rxn:4:212568:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CHTXXEUJRAQVKX-UHFFFAOYSA-N
-rxn:4:212568:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,HMXRRWYSJOTEOS-UHFFFAOYSA-N
-rxn:4:212568:224407,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1,FLZPFPWCIAMPIF-UHFFFAOYSA-N
-rxn:4:212568:224421,CC(C)c1cc(C(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(C)C)c1,JUZIWPJYXKNWCL-UHFFFAOYSA-N
-rxn:4:212568:224425,CCCC1CCC(c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,IWBMZLRPEZSIOM-UHFFFAOYSA-N
-rxn:4:212568:224428,CCCCOc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,XMAGMNIGOUCELZ-UHFFFAOYSA-N
-rxn:4:212568:224429,CC(C)COc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,PYVUHOTWRZDAEN-UHFFFAOYSA-N
-rxn:4:212568:224430,CCC(C)Oc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,SJYUSUJUWLSYDM-UHFFFAOYSA-N
-rxn:4:212568:224462,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,XTGPENAWLPXCAN-UHFFFAOYSA-N
-rxn:4:212568:224471,CCOC(=O)c1cccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc12,RXLBKNYISADZOV-UHFFFAOYSA-N
-rxn:4:212568:224476,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCCC2)cc1,HNZHUYYJCIGOMQ-UHFFFAOYSA-N
-rxn:4:212568:224482,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,JPVBBUUGLZFBBY-UHFFFAOYSA-N
-rxn:4:212568:224483,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1,DFYAAUXTSXRCNM-UHFFFAOYSA-N
-rxn:4:212568:224487,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1,TVGYSVYXMLANNK-UHFFFAOYSA-N
-rxn:4:212568:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AJJOZSRDALFCTA-UHFFFAOYSA-N
-rxn:4:212568:224563,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(O[Si](C)(C)C(C)(C)C)c1,NFKUDYPGQPETTG-UHFFFAOYSA-N
-rxn:4:212568:224597,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)cc(N3CCOCC3)c2)cc1,XLFKXJBXARFEHU-UHFFFAOYSA-N
-rxn:4:212568:224601,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(cnn3C3CCCCO3)c2)cc1,ICETUFWELCZCQS-UHFFFAOYSA-N
-rxn:4:212568:224603,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2cnn3C2CCCCO2)cc1,QUBQIXFOQUJLTJ-UHFFFAOYSA-N
-rxn:4:212568:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BSWMGVNLFTVJTC-UHFFFAOYSA-N
-rxn:4:212568:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1)C(C)C,SNJAXCSJNMTFSP-UHFFFAOYSA-N
-rxn:4:212568:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,OAODZTNUYXLKAN-UHFFFAOYSA-N
-rxn:4:212568:224615,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCN3CCOCC3)c2)cc1,SFDLESSRAWHABL-UHFFFAOYSA-N
-rxn:4:212568:224616,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OCCN2CCOCC2)cc1,KHZNWXVAIAIQAX-UHFFFAOYSA-N
-rxn:4:212568:224617,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1,MUHARTDOAFRVNF-UHFFFAOYSA-N
-rxn:4:212568:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YMTZPAJIBOHFPF-UHFFFAOYSA-N
-rxn:4:212568:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NLBQGDQLAOQUGC-UHFFFAOYSA-N
-rxn:4:212568:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,IYPUJKDBMQNCTD-UHFFFAOYSA-N
-rxn:4:212568:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QOAKKCNFXZELPI-UHFFFAOYSA-N
-rxn:4:212568:224653,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)cc1,NNVHDCORLHVHEU-UHFFFAOYSA-N
-rxn:4:212568:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,HKTOOPFHWFJTDN-UHFFFAOYSA-N
-rxn:4:212568:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,QVSFPIMCFDCSJQ-UHFFFAOYSA-N
-rxn:4:212568:224691,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)cc1,MQKYXXZALWSFAZ-UHFFFAOYSA-N
-rxn:4:212568:224708,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3cc(OC(F)(F)F)ccc3c2)cc1,RQEQAPRGOHPXBM-UHFFFAOYSA-N
-rxn:4:212568:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,PIMORIZJWJZHBX-UHFFFAOYSA-N
-rxn:4:212568:224718,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1,PYXFRFWKKPPIHV-UHFFFAOYSA-N
-rxn:4:212568:224727,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC(C)(C)C)n1,ZYYJFENUSNVBLO-UHFFFAOYSA-N
-rxn:4:212568:224728,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(=O)OC(C)(C)C)cn1,RBMIRRWWAYPSLF-UHFFFAOYSA-N
-rxn:4:212568:224729,COc1nccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C(=O)OC(C)(C)C,MSUSYMBPPCAWLH-UHFFFAOYSA-N
-rxn:4:212568:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FACNMAMFLFREBN-UHFFFAOYSA-N
-rxn:4:212568:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MEBRIBRCLNVDGB-UHFFFAOYSA-N
-rxn:4:212568:224733,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)c(OC3CCC3)c2)cc1,YJWQQSLKRKYVIA-UHFFFAOYSA-N
-rxn:4:212568:224763,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)cc1,SNLFGLKIENHXID-UHFFFAOYSA-N
-rxn:4:212568:224764,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2F)cc1,DKKKFQBYRLWTKQ-UHFFFAOYSA-N
-rxn:4:212568:224771,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCCC1,JPEKAPBVOTUNHJ-UHFFFAOYSA-N
-rxn:4:212568:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YKNNLNVHTFUTHJ-UHFFFAOYSA-N
-rxn:4:212568:224800,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(F)(F)F,OCXMOYZJTXOOOK-UHFFFAOYSA-N
-rxn:4:212568:224821,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1,KCXNJYHRTVYFNX-UHFFFAOYSA-N
-rxn:4:212568:224824,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc1,DFOSCELEJQTCSR-UHFFFAOYSA-N
-rxn:4:212568:224845,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)(C)C)c1,YHOUHBPUKMPRMI-UHFFFAOYSA-N
-rxn:4:212568:224865,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1,QBRQZVNUYIZSAM-UHFFFAOYSA-N
-rxn:4:212568:224868,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCC3CCCCC3)c2)cc1,ZTHCARZMMDMFDP-UHFFFAOYSA-N
-rxn:4:212568:224874,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(COC3CCCCC3)c2)cc1,WFMBWMJXVSJSRU-UHFFFAOYSA-N
-rxn:4:212568:224877,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(COC3CCCCC3)cc2)cc1,SQNWHBOVYQWDGJ-UHFFFAOYSA-N
-rxn:4:212568:224881,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3CCCCCC3)c2)cc1,JZDUDUOBGXUIIB-UHFFFAOYSA-N
-rxn:4:212568:224882,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCCCCC3)cc2)cc1,PYLAAYJRERQXMV-UHFFFAOYSA-N
-rxn:4:212568:224890,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)cc(N3CCCC3)c2)cc1,BYPKUEBUYHUNQJ-UHFFFAOYSA-N
-rxn:4:212568:224904,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1,OALNCSPREJJTLO-UHFFFAOYSA-N
-rxn:4:212568:224931,CCN(CC)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)n1,ABLCXPUGEGSVMG-UHFFFAOYSA-N
-rxn:4:212568:224933,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1,ZYTUEVRXACKDRT-UHFFFAOYSA-N
-rxn:4:212568:224934,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCCN3CCCC3)c2)cc1,HZCFYRHZJRIJPX-UHFFFAOYSA-N
-rxn:4:212568:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,KZNHKVKVEYVKJF-UHFFFAOYSA-N
-rxn:4:212568:224937,CCOC(=O)C1(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,SSOMCYXJVVXLAW-UHFFFAOYSA-N
-rxn:4:212568:224960,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC1CCCC1,CMMYISUSFJUHNA-UHFFFAOYSA-N
-rxn:4:212568:224964,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(COC3CCOCC3)cc2)cc1,HVMPHYKKKXBNTO-UHFFFAOYSA-N
-rxn:4:212568:224965,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCC3CCOCC3)c2)cc1,MLAWYWGQXOQMLY-UHFFFAOYSA-N
-rxn:4:212568:224966,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CCOCC3)cc2)cc1,UDCRHLVSTZXQMP-UHFFFAOYSA-N
-rxn:4:212568:224967,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)(C)C)c1,JVCVBQOXUQGPEB-UHFFFAOYSA-N
-rxn:4:212568:224969,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(=O)OC(C)(C)C,ZTJHARXSJSETSI-UHFFFAOYSA-N
-rxn:4:212568:224997,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1,WHXMNOIPBZZARA-UHFFFAOYSA-N
-rxn:4:212568:224998,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1,SKWYWZYVBRPLEU-UHFFFAOYSA-N
-rxn:4:212568:225001,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCCC(F)C3)cc2)cc1,LQOQZDMHWDEPQK-UHFFFAOYSA-N
-rxn:4:212568:225010,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1,AJLAZMWIXUTEMS-UHFFFAOYSA-N
-rxn:4:212568:225035,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1,BWAMGGAEQMDXJM-UHFFFAOYSA-N
-rxn:4:212568:225074,COc1cccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C(C)C)nn12,AIFLGVMCNQKDMW-UHFFFAOYSA-N
-rxn:4:212568:225088,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OCCN(C)C,BFWYHMPFCCAQPU-UHFFFAOYSA-N
-rxn:4:212568:225090,CCOCc1cc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,VVJIJMHOCAEZDH-UHFFFAOYSA-N
-rxn:4:212568:225095,CCOC(=O)c1ccc(OCC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BELYGSGCNUKDDQ-UHFFFAOYSA-N
-rxn:4:212568:225098,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCCC3)nc2)cc1,YBTVNXDRFILGKA-UHFFFAOYSA-N
-rxn:4:212568:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PAOUGMAPDSVLFY-UHFFFAOYSA-N
-rxn:4:212568:225101,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,NJUNSTWAKAONME-UHFFFAOYSA-N
-rxn:4:212568:225102,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,DFDOBPRTDIVULO-UHFFFAOYSA-N
-rxn:4:212568:225108,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,JDDXIESWEMCMPT-UHFFFAOYSA-N
-rxn:4:212568:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HATKTIJGLFHSDZ-UHFFFAOYSA-N
-rxn:4:212568:225111,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1OCC(C)C,BAUUYWLKOXJARB-UHFFFAOYSA-N
-rxn:4:212568:225113,CC(C)(C)OOC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UMUHTNPAWDGVOI-UHFFFAOYSA-N
-rxn:4:212568:225158,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCSCC3)cc2)cc1,IAFMHWUENSUPDH-UHFFFAOYSA-N
-rxn:4:212568:225163,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C(=O)N2CCOCC2)cc1,PKOCABZDDYOKAQ-UHFFFAOYSA-N
-rxn:4:212568:225220,CC1CCCCN1c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,YAYBKZWQFQXANJ-UHFFFAOYSA-N
-rxn:4:212568:225251,CCOC(=O)c1cnn2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc12,IVPATWGADKUILJ-UHFFFAOYSA-N
-rxn:4:212568:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MVIYRMLOXCCKKV-UHFFFAOYSA-N
-rxn:4:212568:225264,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(=O)OC,GEBXWXMJLMHCPP-UHFFFAOYSA-N
-rxn:4:212568:225274,COCCOc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1F,USORJRVDQDHMDE-UHFFFAOYSA-N
-rxn:4:212568:225277,COC(=O)c1c(OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,MBOCDNBOUDCOAX-UHFFFAOYSA-N
-rxn:4:212568:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BDCRIPDDCKHOQL-UHFFFAOYSA-N
-rxn:4:212568:225310,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)cc1,WLLZYFXYMWUZNY-UHFFFAOYSA-N
-rxn:4:212568:225312,CN1CCCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,OVUPMZPSIVIKNQ-UHFFFAOYSA-N
-rxn:4:212568:225330,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(=O)OC)n1,MEZSURQUZYLFLJ-UHFFFAOYSA-N
-rxn:4:212568:225338,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(COCC(F)(F)F)c2)cc1,XFNRLAODAWVLTI-UHFFFAOYSA-N
-rxn:4:212568:225346,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N(C)C,FAZREEBQLMGUIX-UHFFFAOYSA-N
-rxn:4:212568:225375,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1,NWOAYARGOICIFQ-UHFFFAOYSA-N
-rxn:4:212568:225407,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1,BBVDURBOVBKJMK-UHFFFAOYSA-N
-rxn:4:212568:225408,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1,KVFXUZUNGVADBI-UHFFFAOYSA-N
-rxn:4:212568:225426,CCN(CC)C(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GJMIOIRYWHTUGP-UHFFFAOYSA-N
-rxn:4:212568:225428,CCCCC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,GTHYJUMREHWQLM-UHFFFAOYSA-N
-rxn:4:212568:225429,Cc1ccc(OCCC(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GVLZFMJKKKVYJI-UHFFFAOYSA-N
-rxn:4:212568:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZINVBRPHNHIEDK-UHFFFAOYSA-N
-rxn:4:212568:225432,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(COC3CCCC3)c2)cc1,DIJYAEQATNKQOE-UHFFFAOYSA-N
-rxn:4:212568:225440,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CCCC3)cc2)cc1,CVKCLLRFQPPJBJ-UHFFFAOYSA-N
-rxn:4:212568:225445,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OC2CCCCC2)cc1,KQOZCRJECKXSBV-UHFFFAOYSA-N
-rxn:4:212568:225449,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC3CCCCC3)c2)cc1,QOXNNQBSTWTELG-UHFFFAOYSA-N
-rxn:4:212568:225450,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1,BYQHDDYPXAMQIN-UHFFFAOYSA-N
-rxn:4:212568:225523,CCOC(=O)CCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UQQKRYOAVCUCEO-UHFFFAOYSA-N
-rxn:4:212568:225525,CCOC(=O)CCc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MZXHWWJHULWODX-UHFFFAOYSA-N
-rxn:4:212568:225526,CCN(CC)C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KACOTRDRQQYLGL-UHFFFAOYSA-N
-rxn:4:212568:225527,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WPDFTTLVUPZYJR-UHFFFAOYSA-N
-rxn:4:212568:225528,CCN(CC)C(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YJQHIHOTYMERAN-UHFFFAOYSA-N
-rxn:4:212568:225540,CC(C)COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C#N,GPPGDKMHGRIUSJ-UHFFFAOYSA-N
-rxn:4:212568:225545,CC(C)COC(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SKLGUUYJACUAMK-UHFFFAOYSA-N
-rxn:4:212568:225551,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(C)C,KKHJWCUDXKQLMK-UHFFFAOYSA-N
-rxn:4:212568:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,MNXYOHNQZRMCCT-UHFFFAOYSA-N
-rxn:4:212568:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SHHYFZVDGLUTLQ-UHFFFAOYSA-N
-rxn:4:212568:225556,CC(C)(C)OC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ASKLHSAKPCWWDS-UHFFFAOYSA-N
-rxn:4:212568:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IEXOEOIBVHDIAX-UHFFFAOYSA-N
-rxn:4:212568:225562,CC(C)(C)OCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,SLUPGLDYBLRGPC-UHFFFAOYSA-N
-rxn:4:212568:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HTRXRMUZMXCLHJ-UHFFFAOYSA-N
-rxn:4:212568:225565,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCC3CCCO3)c2)cc1,CVWXNNUGLQFSJE-UHFFFAOYSA-N
-rxn:4:212568:225567,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(=O)OC(C)C,MGAWEWBYRRNGMI-UHFFFAOYSA-N
-rxn:4:212568:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BORXYCLCOHETQR-UHFFFAOYSA-N
-rxn:4:212568:225569,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C1CC1,VBHAZNRYGRXHNW-UHFFFAOYSA-N
-rxn:4:212568:225581,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1,SYJIOSJQOMWKBX-UHFFFAOYSA-N
-rxn:4:212568:225584,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,OBEXBRWGMYKYET-UHFFFAOYSA-N
-rxn:4:212568:225585,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2CCOCC2)cc1,WNHJKHARUWXCJZ-UHFFFAOYSA-N
-rxn:4:212568:225587,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1,KZWKMYSQEDVLMR-UHFFFAOYSA-N
-rxn:4:212568:225588,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2CCSCC2)cc1,VWQASQIQWNEFFM-UHFFFAOYSA-N
-rxn:4:212568:225595,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(CN3CCCC3)c2)cc1,LBDJOOKJNVJVGL-UHFFFAOYSA-N
-rxn:4:212568:225597,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCCCC3)nc2)cc1,DSEHJGRUMGZULG-UHFFFAOYSA-N
-rxn:4:212568:225600,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1,YMBZTYXDYRUWAI-UHFFFAOYSA-N
-rxn:4:212568:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UVUJALBNPUHQII-UHFFFAOYSA-N
-rxn:4:212568:225618,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC3CCCCO3)c2)cc1,HUWRVUGAUQRKGQ-UHFFFAOYSA-N
-rxn:4:212568:225619,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2OC2CCCC2)cc1,CSMNARAHTAEWRP-UHFFFAOYSA-N
-rxn:4:212568:225620,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCOCC3)cc2)cc1,NAMYSDFOPLZLGS-UHFFFAOYSA-N
-rxn:4:212568:225623,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC3CCOCC3)c2)cc1,MDKMVTRIFUXAQM-UHFFFAOYSA-N
-rxn:4:212568:225625,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1,RTKGXLMPIPCDPK-UHFFFAOYSA-N
-rxn:4:212568:225633,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1,UEWRJBHBSROKPQ-UHFFFAOYSA-N
-rxn:4:212568:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FBUOMUBQZPPFIO-UHFFFAOYSA-N
-rxn:4:212568:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MZUQCVRVWVEIBZ-UHFFFAOYSA-N
-rxn:4:212568:225713,CCOC(=O)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MTIOVISIGBTPAR-UHFFFAOYSA-N
-rxn:4:212568:225719,COCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,BWGBHHGTMHEEMP-UHFFFAOYSA-N
-rxn:4:212568:225720,CCOC(=O)COc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OBXDGRURSIAXEA-UHFFFAOYSA-N
-rxn:4:212568:225721,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,OZLCPBJAQOXESE-UHFFFAOYSA-N
-rxn:4:212568:225726,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,GORJYLSZCPVRBR-UHFFFAOYSA-N
-rxn:4:212568:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SMBISKHIHSCJHG-UHFFFAOYSA-N
-rxn:4:212568:225731,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,OHWQRBYKFGCBHD-UHFFFAOYSA-N
-rxn:4:212568:225742,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC,ITUIHYYSSXOHSH-UHFFFAOYSA-N
-rxn:4:212568:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XMFXHZHZGHRKIK-UHFFFAOYSA-N
-rxn:4:212568:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HAYROYLNJDODCI-UHFFFAOYSA-N
-rxn:4:212568:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IWAUICPOROCBJS-UHFFFAOYSA-N
-rxn:4:212568:225759,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,GLLZBSUCPBHZRP-UHFFFAOYSA-N
-rxn:4:212568:225760,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,SMQNNNGARMVFGJ-UHFFFAOYSA-N
-rxn:4:212568:225768,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC(C)C,FERBAHXXRUKZTR-UHFFFAOYSA-N
-rxn:4:212568:225784,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1,YUZPFVIJNWMRMD-UHFFFAOYSA-N
-rxn:4:212568:225810,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C2OCCO2)c1,DNHSJLKBEREXDH-UHFFFAOYSA-N
-rxn:4:212568:225820,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)cc1,CRLSTIMKGZRCSK-UHFFFAOYSA-N
-rxn:4:212568:225826,CN1CCN(c2cncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,OMQPLGVPHCHGJG-UHFFFAOYSA-N
-rxn:4:212568:225828,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCCCC3)nc2)cc1,NEQRTIYEXAHIER-UHFFFAOYSA-N
-rxn:4:212568:225878,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(N3CCOCC3)c2)cc1,IZCGLBCLPSKHOW-UHFFFAOYSA-N
-rxn:4:212568:225889,C[Si](C)(C)CCOCn1nccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QPWRCDKSQAZATF-UHFFFAOYSA-N
-rxn:4:212568:225898,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1,NPPNZPKPDGSOSJ-UHFFFAOYSA-N
-rxn:4:212568:225899,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)n(C(=O)OC(C)(C)C)n1,OVHIFULHYKRCBD-UHFFFAOYSA-N
-rxn:4:212568:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VBNPANHWMQYIAO-UHFFFAOYSA-N
-rxn:4:212568:225947,CN1CCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,BZIUQMFAPVUBBH-UHFFFAOYSA-N
-rxn:4:212568:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LKCJXJHMBKTCJE-UHFFFAOYSA-N
-rxn:4:212568:226004,COc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WSJMZUKZGXFOIS-UHFFFAOYSA-N
-rxn:4:212568:226005,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)(F)F)c(F)c2)cc1,ICZMLKSVTWUIQM-UHFFFAOYSA-N
-rxn:4:212568:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FKZOIWUFKRFEHZ-UHFFFAOYSA-N
-rxn:4:212568:226017,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(F)(F)F,JSTVRHRGNJGSLT-UHFFFAOYSA-N
-rxn:4:212568:226023,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(OCC(F)F)c2F)cc1,LNHWZFGTRAONMA-UHFFFAOYSA-N
-rxn:4:212568:226026,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,IGHLPKDYBQYCFE-UHFFFAOYSA-N
-rxn:4:212568:226049,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)cc1,SGSQPFYBJUQOHW-UHFFFAOYSA-N
-rxn:4:212568:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QFZAAXXUGAZDLC-UHFFFAOYSA-N
-rxn:4:212568:226059,CC(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(C)C)c1,IXFZNJWZVBEPKQ-UHFFFAOYSA-N
-rxn:4:212568:226062,CC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)C)c1,MERQOSDBBHKMQV-UHFFFAOYSA-N
-rxn:4:212568:226067,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1,VIWWTXANQRUTRE-UHFFFAOYSA-N
-rxn:4:212568:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RFSWBCLJTFPLBY-UHFFFAOYSA-N
-rxn:4:212568:226069,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C3CCCCC3)c2)cc1,OFNDHMDNCABWHS-UHFFFAOYSA-N
-rxn:4:212568:226094,CC(C)CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,VXPJBEFXLFCPSO-UHFFFAOYSA-N
-rxn:4:212568:226097,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(COCC3CC3)cc2)cc1,GNOSGTVOHKJOSA-UHFFFAOYSA-N
-rxn:4:212568:226101,CCN(CC)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,UFQHDQCJTSDVQM-UHFFFAOYSA-N
-rxn:4:212568:226105,CC(C)(C)OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QZZLZFBRDYKEBY-UHFFFAOYSA-N
-rxn:4:212568:226106,Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DPGVPMXGPAECKF-UHFFFAOYSA-N
-rxn:4:212568:226108,CC(C)(C)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NGBZFYDWTDNWOU-UHFFFAOYSA-N
-rxn:4:212568:226109,CC(C)(C)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,OQDMSKQPLBAKTD-UHFFFAOYSA-N
-rxn:4:212568:226111,CC(C)(C)OCc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DHZLVRKGEVMCJH-UHFFFAOYSA-N
-rxn:4:212568:226113,CC(C)CC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,LRSZZQBAUNASIB-UHFFFAOYSA-N
-rxn:4:212568:226114,CCCC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,QWOXYFDGPYSWDB-UHFFFAOYSA-N
-rxn:4:212568:226115,CC(C)CC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KORBLCQANQRRKM-UHFFFAOYSA-N
-rxn:4:212568:226116,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OCC1CC1,MPFWDJKOERMTMS-UHFFFAOYSA-N
-rxn:4:212568:226117,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OCC(C)C,BFBZLMGHNJAAGO-UHFFFAOYSA-N
-rxn:4:212568:226119,Cc1ccc(OCC2CC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SJZRBZIVENURGF-UHFFFAOYSA-N
-rxn:4:212568:226123,COCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,XJHAEWQIUJCDFW-UHFFFAOYSA-N
-rxn:4:212568:226124,COCc1ccc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SAKFLZVXTBMIEV-UHFFFAOYSA-N
-rxn:4:212568:226125,COCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,UBZBIXQCMWRXPE-UHFFFAOYSA-N
-rxn:4:212568:226128,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)CC3CC3)cc2)cc1,DRKQIIRINAMCHR-UHFFFAOYSA-N
-rxn:4:212568:226131,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2CCCC2)cc1,FRMQYWFSHHTAIQ-UHFFFAOYSA-N
-rxn:4:212568:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VPDJXIKDIRWRAT-UHFFFAOYSA-N
-rxn:4:212568:226140,COc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FZUBKMKNGQERLN-UHFFFAOYSA-N
-rxn:4:212568:226141,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OC2CCCC2)cc1,RVDQIGJPWYAQDP-UHFFFAOYSA-N
-rxn:4:212568:226142,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC3CCCC3)c2)cc1,XUMXHIQOKRVONY-UHFFFAOYSA-N
-rxn:4:212568:226143,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1OC(C)C,PAWXGUBYSNAJDY-UHFFFAOYSA-N
-rxn:4:212568:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,RHXQXNROQJYDCD-UHFFFAOYSA-N
-rxn:4:212568:226152,COc1cc(C2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,SAMZRDNEOARPJO-UHFFFAOYSA-N
-rxn:4:212568:226153,COc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,UVLLQCBAADPGQE-UHFFFAOYSA-N
-rxn:4:212568:226164,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)cc2)cc1,RDLSSMPLQPHGKS-UHFFFAOYSA-N
-rxn:4:212568:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FAHJYTRGAJVJEI-UHFFFAOYSA-N
-rxn:4:212568:226177,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1,VBOCZYWDZODDPP-UHFFFAOYSA-N
-rxn:4:212568:226180,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCCC2)n1,YDDZQBDSJWQYOP-UHFFFAOYSA-N
-rxn:4:212568:226181,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3=CCCCC3)nc2)cc1,OEIOCPFQEVTPKT-UHFFFAOYSA-N
-rxn:4:212568:226186,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C2CCOCC2)cc1,JNYGBKFNXQFFBJ-UHFFFAOYSA-N
-rxn:4:212568:226189,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCC3)c(F)c2)cc1,LYSGRBBETUHICZ-UHFFFAOYSA-N
-rxn:4:212568:226190,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCC3)cc2F)cc1,KRMXCKZKSPVGQM-UHFFFAOYSA-N
-rxn:4:212568:226197,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCOC3)cc2)cc1,IOCRDPLPAXFYIX-UHFFFAOYSA-N
-rxn:4:212568:226211,CC(=O)N1CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,PZLCIWXRLFHJGO-UHFFFAOYSA-N
-rxn:4:212568:226212,CON=C1CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,KKZBLEGPUJMKTB-UHFFFAOYSA-N
-rxn:4:212568:226223,CCOCCOc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LCGFDBPMIZNMDI-UHFFFAOYSA-N
-rxn:4:212568:226230,COCCOCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,OSVXYEUZWZGQMD-UHFFFAOYSA-N
-rxn:4:212568:226232,CN(C)CCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GWOZVQOBWUPCRO-UHFFFAOYSA-N
-rxn:4:212568:226237,CN(C)CCOc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AFZZNARWOCWKOH-UHFFFAOYSA-N
-rxn:4:212568:226243,CCOC(=O)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DXZHJMFYYDHCHS-UHFFFAOYSA-N
-rxn:4:212568:226247,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OCC)c1,GQEMJYVSBWVYJG-UHFFFAOYSA-N
-rxn:4:212568:226248,CCOC(=O)Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BRUMMWKWDLSKGN-UHFFFAOYSA-N
-rxn:4:212568:226249,CCCCOc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YMHAACIRMMOAKU-UHFFFAOYSA-N
-rxn:4:212568:226256,CCCCOc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CKFKIBMXWZMCTC-UHFFFAOYSA-N
-rxn:4:212568:226258,CCCOC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WIOHBWMLIYTJJH-UHFFFAOYSA-N
-rxn:4:212568:226261,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCC,QINOJEJSZVZQNW-UHFFFAOYSA-N
-rxn:4:212568:226265,COCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C,RAPHYTSRPVLQQM-UHFFFAOYSA-N
-rxn:4:212568:226266,COC(=O)CCc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QJNWGTPWTYRARV-UHFFFAOYSA-N
-rxn:4:212568:226267,COCCOc1ccc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CQAVFQFOCDVSRO-UHFFFAOYSA-N
-rxn:4:212568:226269,CCOc1ccc(OCC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XXKFYCXYPLYNLQ-UHFFFAOYSA-N
-rxn:4:212568:226270,N#CC(C#N)=Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LMMROJYETDPNOF-UHFFFAOYSA-N
-rxn:4:212568:226272,CCN(C)C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZVCIYSFPNPOYCO-UHFFFAOYSA-N
-rxn:4:212568:226273,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,QSOBROFMPSPNKA-UHFFFAOYSA-N
-rxn:4:212568:226274,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,GNDRSLFDBAQUGV-UHFFFAOYSA-N
-rxn:4:212568:226277,CC(C)(C)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,NAIRGVLNDSPUBL-UHFFFAOYSA-N
-rxn:4:212568:226279,Cc1cnc(OCC(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HNPUUQBXMCNRFN-UHFFFAOYSA-N
-rxn:4:212568:226281,CN(C)C(=O)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,OWIQRLWSVLQKCR-UHFFFAOYSA-N
-rxn:4:212568:226288,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(C)C,HQYUUGHXOJSHGZ-UHFFFAOYSA-N
-rxn:4:212568:226289,COc1cccc(OC(C)C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XDOYECRWSRYWCZ-UHFFFAOYSA-N
-rxn:4:212568:226290,CC(C)OC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CEFVQZFSSVADGU-UHFFFAOYSA-N
-rxn:4:212568:226292,CC(C)OC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WOXURIUVPXLDSW-UHFFFAOYSA-N
-rxn:4:212568:226293,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CC3)c(Cl)c2)cc1,YSMGQPLKZWIZPS-UHFFFAOYSA-N
-rxn:4:212568:226299,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CC3)cc2Cl)cc1,NRXUQFRGPQFROS-UHFFFAOYSA-N
-rxn:4:212568:226302,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,RPSSXAQVKKSMOR-UHFFFAOYSA-N
-rxn:4:212568:226304,COc1cc(OC(C)C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AESGPBPFPLWVJT-UHFFFAOYSA-N
-rxn:4:212568:226305,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(C)C,ZCJSOUWOEXFFJG-UHFFFAOYSA-N
-rxn:4:212568:226307,COCc1cc(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1OC,RXMPQPIYTUWUEW-UHFFFAOYSA-N
-rxn:4:212568:226308,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(=O)OC,UHJQTMPWGVSQQF-UHFFFAOYSA-N
-rxn:4:212568:226312,CC(C)OC(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SIEDCWKOEURBLE-UHFFFAOYSA-N
-rxn:4:212568:226313,CCOC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,NMUUVEAQZRSTRH-UHFFFAOYSA-N
-rxn:4:212568:226319,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)cc1,LQZPFWWZTPFPRG-UHFFFAOYSA-N
-rxn:4:212568:226324,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1,RQSURYZTOKFGDW-UHFFFAOYSA-N
-rxn:4:212568:226332,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1,SRGPMQIQMFJLTL-UHFFFAOYSA-N
-rxn:4:212568:226334,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WFQUITUGIBJDTF-UHFFFAOYSA-N
-rxn:4:212568:226338,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1,XASGJXQLEDWEDZ-UHFFFAOYSA-N
-rxn:4:212568:226343,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCOC3)cc2)cc1,RAONWWKMCVIRGI-UHFFFAOYSA-N
-rxn:4:212568:226345,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)cc1C,DJHZDUZMHMVUCC-UHFFFAOYSA-N
-rxn:4:212568:226346,Cc1cc(OC(C)C)c(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LAUXKXGRTHUJQN-UHFFFAOYSA-N
-rxn:4:212568:226349,CC(C)(C)Oc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CJMJTPINJIFGAE-UHFFFAOYSA-N
-rxn:4:212568:226350,COC(=O)c1c(C)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,TWYQUXHLZZCBSC-UHFFFAOYSA-N
-rxn:4:212568:226356,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)cc1C1CC1,MSFDVSDUXHVBJQ-UHFFFAOYSA-N
-rxn:4:212568:226364,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1,KIIBLFAWJHEFLW-UHFFFAOYSA-N
-rxn:4:212568:226395,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(N3CCCCC3)c2)cc1,ZWAYTOLWLMNLEN-UHFFFAOYSA-N
-rxn:4:212568:226415,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2N2CCOCC2)cc1,FXDZXTOPKXOEDX-UHFFFAOYSA-N
-rxn:4:212568:226421,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2N2CCCC2)cc1,CHTFIMOYWUYQIK-UHFFFAOYSA-N
-rxn:4:212568:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PPPFDACIQKKJHE-UHFFFAOYSA-N
-rxn:4:212568:226468,CN1C(=O)COc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc21,FXHNFLLRUPCARI-UHFFFAOYSA-N
-rxn:4:212568:226473,CN(C)CCOc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IASRYYHPZGMIJP-UHFFFAOYSA-N
-rxn:4:212568:226479,CCCCOc1nccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,PZLPLQYXDYYXGU-UHFFFAOYSA-N
-rxn:4:212568:226481,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OCC#N,RBMYQAPUYHFVRI-UHFFFAOYSA-N
-rxn:4:212568:226482,COCCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,HGXODZKAEMKZAS-UHFFFAOYSA-N
-rxn:4:212568:226499,CC(C)(C)OC(=O)n1cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RQJVLNBVBUAGAI-UHFFFAOYSA-N
-rxn:4:212568:226513,COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WZWJUXKPBYPAJY-UHFFFAOYSA-N
-rxn:4:212568:226517,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC)c1C#N,BXRWBRKYKOFYQJ-UHFFFAOYSA-N
-rxn:4:212568:226518,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,DNQGJSIKEPFJDU-UHFFFAOYSA-N
-rxn:4:212568:226519,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC)c1OC,WFNXIYSLESMYBW-UHFFFAOYSA-N
-rxn:4:212568:226520,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1OC,AWTYSDWDSLQDQO-UHFFFAOYSA-N
-rxn:4:212568:226523,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,HEQGJSVPIHXDII-UHFFFAOYSA-N
-rxn:4:212568:226524,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,LLTFPIWOGGKPQK-UHFFFAOYSA-N
-rxn:4:212568:226534,COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PZDSKRXZQKGWGJ-UHFFFAOYSA-N
-rxn:4:212568:226535,COC(=O)c1cc(OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WLKRVNXEDTXRNW-UHFFFAOYSA-N
-rxn:4:212568:226541,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,DYALJZMWTKKJBB-UHFFFAOYSA-N
-rxn:4:212568:226542,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,LPMFTHZVBMGEMP-UHFFFAOYSA-N
-rxn:4:212568:226544,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,MZPRKKZYAQXNIF-UHFFFAOYSA-N
-rxn:4:212568:226564,COc1cc(OC)c(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SUEHAWKPHFLKDI-UHFFFAOYSA-N
-rxn:4:212568:226566,COC(=O)c1ccc(OC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OGXJWTMHBDNANA-UHFFFAOYSA-N
-rxn:4:212568:226574,CN(C)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,UNFUFUBOAFCZEF-UHFFFAOYSA-N
-rxn:4:212568:226576,CN(C)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,MQPMBQICAVHBEN-UHFFFAOYSA-N
-rxn:4:212568:226577,CN(C)C(=O)c1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RTOKKAVELJRNPI-UHFFFAOYSA-N
-rxn:4:212568:226579,CN(C)C(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,OBTGQCHQGFYNTL-UHFFFAOYSA-N
-rxn:4:212568:226582,CN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,UWNSBSWNSHXXJH-UHFFFAOYSA-N
-rxn:4:212568:226586,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(OC3CCOC3)c2)cc1,NGFJVHJSGPLKLM-UHFFFAOYSA-N
-rxn:4:212568:226591,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1F,GGAKAVWCLZCFLR-UHFFFAOYSA-N
-rxn:4:212568:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YKXRPHSDEUXQKJ-UHFFFAOYSA-N
-rxn:4:212568:226643,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2)cc1,ZRYCDRMATJCFLF-UHFFFAOYSA-N
-rxn:4:212568:226645,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2)cc1,CCDUEMKNDLZTAF-UHFFFAOYSA-N
-rxn:4:212568:226663,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1,POLKCADAZNODLL-UHFFFAOYSA-N
-rxn:4:212568:226714,CC(C)(C)OC(=O)n1nccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AYFUVJHFOMOPBW-UHFFFAOYSA-N
-rxn:4:212568:226715,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,XSESPOKCIKLDTB-UHFFFAOYSA-N
-rxn:4:212568:226716,CC(C)(C)OC(=O)n1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)n1,CVSPNTUGPABWOC-UHFFFAOYSA-N
-rxn:4:212568:226724,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1,MCYJUAXGIHWFSA-UHFFFAOYSA-N
-rxn:4:212568:226730,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCC3)nc2Cl)cc1,WDJYWXSDEFAPFC-UHFFFAOYSA-N
-rxn:4:212568:226736,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1,BZDXGWXUTTTYQY-UHFFFAOYSA-N
-rxn:4:212568:226775,COC(=O)c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,FPLCOLHELQAUMH-UHFFFAOYSA-N
-rxn:4:212568:226783,COc1cc(F)c(F)c(OC)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,UGZIEVKYBDYKBY-UHFFFAOYSA-N
-rxn:4:212568:226832,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2OCC(F)(F)F)cc1,WGCUQMAXEREIJH-UHFFFAOYSA-N
-rxn:4:212568:226833,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)(F)F)nc2)cc1,UWSVKAYMMRPPRW-UHFFFAOYSA-N
-rxn:4:212568:226839,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C#N)cc1,QZDUFRUYNDYYQF-UHFFFAOYSA-N
-rxn:4:212568:226840,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)nc(C(F)(F)F)c2)cc1,WYOYBMQIUAZUNT-UHFFFAOYSA-N
-rxn:4:212568:226842,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1,CUFAZOCMCXOSFD-UHFFFAOYSA-N
-rxn:4:212568:226859,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2Cl)cc1,HNEHXQCHKUAFQC-UHFFFAOYSA-N
-rxn:4:212568:226861,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(F)c2)cc1,ONADPDXCPDIOOC-UHFFFAOYSA-N
-rxn:4:212568:226862,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2F)cc1,UXAVBQDMRLAAPC-UHFFFAOYSA-N
-rxn:4:212568:226886,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1,DACPWFVGVCGYGS-UHFFFAOYSA-N
-rxn:4:212568:226895,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(C(F)(F)F)cc2F)cc1,XRECMPRGIRPREJ-UHFFFAOYSA-N
-rxn:4:212568:226907,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2CCC32CC2)cc1,FKLUAXAVNZCKDN-UHFFFAOYSA-N
-rxn:4:212568:226910,CCC(C)(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,XITDKFDOZCXJIL-UHFFFAOYSA-N
-rxn:4:212568:226912,Cc1cc(CC(C)C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KMLDKMTWYFQPFZ-UHFFFAOYSA-N
-rxn:4:212568:226913,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,GZYXMYAHLMNYQI-UHFFFAOYSA-N
-rxn:4:212568:226915,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCC3)cc2)cc1,GIPJSSSGPLDIJF-UHFFFAOYSA-N
-rxn:4:212568:226917,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)(C)C)c1,ULRQTWRDPHVPHK-UHFFFAOYSA-N
-rxn:4:212568:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ONPXJYYONMPZNK-UHFFFAOYSA-N
-rxn:4:212568:226921,Cc1cc(C)c(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CYOIKDLDRXWCRQ-UHFFFAOYSA-N
-rxn:4:212568:226922,Cc1cc(C2CC2)cc(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BAWPGJVWWGJRFQ-UHFFFAOYSA-N
-rxn:4:212568:226924,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c(C2CC2)c1,BELXUBDCOWYHNO-UHFFFAOYSA-N
-rxn:4:212568:226925,Cc1cc(C2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,PYURJIIVGRYKOK-UHFFFAOYSA-N
-rxn:4:212568:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XHGCAMUYSNKLJH-UHFFFAOYSA-N
-rxn:4:212568:226959,CC1(C)Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2O1,IAMBYKZMBPVDPB-UHFFFAOYSA-N
-rxn:4:212568:226968,CC1(C)Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2O1,DABVNGHUNDBDJR-UHFFFAOYSA-N
-rxn:4:212568:226969,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)CCCC3=O)cc1,XNCGKMHWGDSXFV-UHFFFAOYSA-N
-rxn:4:212568:226983,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,RKHXNOVGBCOKRI-UHFFFAOYSA-N
-rxn:4:212568:226984,CCCOCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BNYUHLKFPDZZGV-UHFFFAOYSA-N
-rxn:4:212568:226988,COCCCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,VRSIFWCDMKFKNP-UHFFFAOYSA-N
-rxn:4:212568:226989,CCN(CC)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,IQSUBGJAIBIBIP-UHFFFAOYSA-N
-rxn:4:212568:226992,CCOC(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,IJIJUJXLZXGGNQ-UHFFFAOYSA-N
-rxn:4:212568:226993,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,BVKYMECHOFOBQT-UHFFFAOYSA-N
-rxn:4:212568:226995,CC(C)CSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ABNKWJJWRQGYPS-UHFFFAOYSA-N
-rxn:4:212568:226996,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(SCC3CC3)cc2)cc1,JHNACPYZBYHTDB-UHFFFAOYSA-N
-rxn:4:212568:227002,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,MNBFOKSHEDKQAJ-UHFFFAOYSA-N
-rxn:4:212568:227004,CC(C)COc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LRYJDGLJXQWWTH-UHFFFAOYSA-N
-rxn:4:212568:227005,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCC3CC3)c2)cc1,JMRZHORAUXVSKH-UHFFFAOYSA-N
-rxn:4:212568:227007,CC(C)OCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LDRIEIFNPFEXOB-UHFFFAOYSA-N
-rxn:4:212568:227013,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1CC,IULQRWLPASSXSO-UHFFFAOYSA-N
-rxn:4:212568:227019,CC(C)(C#N)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GNVPTAVNHLOAAT-UHFFFAOYSA-N
-rxn:4:212568:227021,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1,FMZYJKKERWHDOS-UHFFFAOYSA-N
-rxn:4:212568:227023,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N(C)C,TXMOPZSLGBVVOD-UHFFFAOYSA-N
-rxn:4:212568:227024,CC(c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)N(C)C,KMVRXVBDYANQDT-UHFFFAOYSA-N
-rxn:4:212568:227025,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BZQSXEMSZSXXTA-UHFFFAOYSA-N
-rxn:4:212568:227026,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#N)c(C3CC3)c2)cc1,HMGKFGKKAYZLOS-UHFFFAOYSA-N
-rxn:4:212568:227029,CC(C)(C#N)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DSORKLGZSOOGSB-UHFFFAOYSA-N
-rxn:4:212568:227030,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#N)cc2C2CC2)cc1,CGCCJMNMTLNOQP-UHFFFAOYSA-N
-rxn:4:212568:227031,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC3)cc2C#N)cc1,DYGRBCLVUVLYDO-UHFFFAOYSA-N
-rxn:4:212568:227032,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C#N)c2C2CC2)cc1,LVFVPWQDFBLDPG-UHFFFAOYSA-N
-rxn:4:212568:227033,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC3)c(C#N)c2)cc1,QSZCXYJHYCIDTB-UHFFFAOYSA-N
-rxn:4:212568:227036,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)ccc2C#N)cc1,OJYYSFZVVGAYSC-UHFFFAOYSA-N
-rxn:4:212568:227037,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)ccc2C2CC2)cc1,XYMFALAEJQHNKX-UHFFFAOYSA-N
-rxn:4:212568:227039,CC(C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BAUBMFJEZLGZGP-UHFFFAOYSA-N
-rxn:4:212568:227040,Cc1ccc(OC(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CGIFBGFJJVEFRM-UHFFFAOYSA-N
-rxn:4:212568:227041,CCOc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,RDVHLMBBFSCDPP-UHFFFAOYSA-N
-rxn:4:212568:227043,Cc1cc(OC(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XGWZPXXQIOFUEU-UHFFFAOYSA-N
-rxn:4:212568:227053,CC(C)(C)Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GCKFUVHBRISNLF-UHFFFAOYSA-N
-rxn:4:212568:227055,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,AHLADVSDORIAFP-UHFFFAOYSA-N
-rxn:4:212568:227058,COc1ccc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RVNCGUCANWHDNJ-UHFFFAOYSA-N
-rxn:4:212568:227060,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(C)C,UFDJMTXLUDZRSY-UHFFFAOYSA-N
-rxn:4:212568:227063,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC(C)C)c1,IAMYQQQOSNCUIT-UHFFFAOYSA-N
-rxn:4:212568:227064,CC(C)(C)Oc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AWVODMRDAFSTCA-UHFFFAOYSA-N
-rxn:4:212568:227065,CC(C)C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AUBCDNCOBHMXOP-UHFFFAOYSA-N
-rxn:4:212568:227066,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)C3CC3)c2)cc1,OQWNGVKPLVOMHZ-UHFFFAOYSA-N
-rxn:4:212568:227067,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C2CC2)c1,UYXLSZLFSGMMFV-UHFFFAOYSA-N
-rxn:4:212568:227070,CCOc1cc(C)c(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,TZMBYJHPXVPABY-UHFFFAOYSA-N
-rxn:4:212568:227071,COCc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,ZTQSCXCXEHTAIT-UHFFFAOYSA-N
-rxn:4:212568:227072,COc1cc(C2CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YOCQOLYECGYAKG-UHFFFAOYSA-N
-rxn:4:212568:227073,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,SZDNCXSKKVMVSN-UHFFFAOYSA-N
-rxn:4:212568:227074,CCOc1c(C)cc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZQMDMEDXNVSNES-UHFFFAOYSA-N
-rxn:4:212568:227078,COc1ccc(C2CC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RAVVRGLZJVRTNU-UHFFFAOYSA-N
-rxn:4:212568:227084,Cc1nc(C(C)(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RYRZJLZGWUMQTP-UHFFFAOYSA-N
-rxn:4:212568:227085,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCC3)nc2)cc1,FNHFEMRXBSKNDL-UHFFFAOYSA-N
-rxn:4:212568:227088,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)(C)C)n1,IUJGYKMLVRRPBK-UHFFFAOYSA-N
-rxn:4:212568:227093,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1,NQFFGAWNOWEQBH-UHFFFAOYSA-N
-rxn:4:212568:227094,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnccc2C2CCCC2)cc1,NHYKPSWZFAHDCN-UHFFFAOYSA-N
-rxn:4:212568:227101,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)cc1C1CC1,FNPFAMMJOCHGHK-UHFFFAOYSA-N
-rxn:4:212568:227102,CC(C)(C)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,IKGHEFOGBVHAPD-UHFFFAOYSA-N
-rxn:4:212568:227112,Cc1cc(C2CC2)c(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VILRRGKFGYHOLE-UHFFFAOYSA-N
-rxn:4:212568:227121,CC(C)(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,ZVTSIUGSQLTXAN-UHFFFAOYSA-N
-rxn:4:212568:227124,CC(C)(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,KTZBAPKZYWTQSQ-UHFFFAOYSA-N
-rxn:4:212568:227125,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2C2CCOC2)cc1,LQECJRORUGZBLO-UHFFFAOYSA-N
-rxn:4:212568:227126,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCOC3)cc2)cc1,HNBBSBVPQIDOJX-UHFFFAOYSA-N
-rxn:4:212568:227131,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C3CCOC3)c2)cc1,TWUIIKAFMJQYRX-UHFFFAOYSA-N
-rxn:4:212568:227183,CN1Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2C1=O,WACOJQMEGYGBNQ-UHFFFAOYSA-N
-rxn:4:212568:227197,CN1Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1=O,UVQABPOVBLFPPZ-UHFFFAOYSA-N
-rxn:4:212568:227203,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1,WQDBZVQBFANJCJ-UHFFFAOYSA-N
-rxn:4:212568:227205,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc3c2OCCCO3)cc1,OTLNGLCIHICYDR-UHFFFAOYSA-N
-rxn:4:212568:227209,CC1(C)Oc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2O1,UKBOLOYNQWCMEP-UHFFFAOYSA-N
-rxn:4:212568:227215,COCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FCZXRHZMJWQDBV-UHFFFAOYSA-N
-rxn:4:212568:227216,COCCOc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BOPRTQDXVHVJSD-UHFFFAOYSA-N
-rxn:4:212568:227217,COCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XFCRMKSRBGEXJD-UHFFFAOYSA-N
-rxn:4:212568:227220,CCOCSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,XAPSJGBWMCKWAB-UHFFFAOYSA-N
-rxn:4:212568:227226,CC(C)COc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YDTFNWHZNGHPEN-UHFFFAOYSA-N
-rxn:4:212568:227235,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,QTXWRGWMQSBYBJ-UHFFFAOYSA-N
-rxn:4:212568:227236,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FDAIIZVMAYYCCS-UHFFFAOYSA-N
-rxn:4:212568:227237,CCOC(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BDUOWLLOAUUWSK-UHFFFAOYSA-N
-rxn:4:212568:227239,COC(=O)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HGEKTBPKPHFLSV-UHFFFAOYSA-N
-rxn:4:212568:227240,CC(=O)OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,PFVOLDUAGDTOQR-UHFFFAOYSA-N
-rxn:4:212568:227241,CCOc1ccc(OC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QEAMOQOBEYINIL-UHFFFAOYSA-N
-rxn:4:212568:227243,CC(=O)OCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ABBFFFNVHVSQNN-UHFFFAOYSA-N
-rxn:4:212568:227244,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,QWSSKOCEZVAPGG-UHFFFAOYSA-N
-rxn:4:212568:227245,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,BURSJVLDSWGLBZ-UHFFFAOYSA-N
-rxn:4:212568:227260,COCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,DUOXXHGIMCMUAK-UHFFFAOYSA-N
-rxn:4:212568:227263,CCOCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,WXASNKCNULICTJ-UHFFFAOYSA-N
-rxn:4:212568:227264,COCc1cc(OC)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NFMKCPCEQQLXEJ-UHFFFAOYSA-N
-rxn:4:212568:227269,CCOc1cccc(OC)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YDBWWRABOTYOFA-UHFFFAOYSA-N
-rxn:4:212568:227271,CCOc1cc(OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DMFRAVPTIWOTQS-UHFFFAOYSA-N
-rxn:4:212568:227272,COCc1ccc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HLTQQQKLSKJAEB-UHFFFAOYSA-N
-rxn:4:212568:227276,CCc1cc(N(C)C)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XDTKBLPTDDVDME-UHFFFAOYSA-N
-rxn:4:212568:227277,CN(C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,VFLBNQRYTPSMBV-UHFFFAOYSA-N
-rxn:4:212568:227278,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CC3)nc2)cc1,UOBJDNCTQBWHMG-UHFFFAOYSA-N
-rxn:4:212568:227282,CC(C)c1ncc(C#N)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JVUIJLWOBBLHBU-UHFFFAOYSA-N
-rxn:4:212568:227283,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)nc(C3CC3)c2)cc1,CLQGHQGEQHYUPY-UHFFFAOYSA-N
-rxn:4:212568:227284,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)ncc2C2CC2)cc1,OISCQAWDQABHDE-UHFFFAOYSA-N
-rxn:4:212568:227285,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)cnc2C2CC2)cc1,NPMKWYPDQSXFGA-UHFFFAOYSA-N
-rxn:4:212568:227286,CN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SJAVZJOCQVSXFN-UHFFFAOYSA-N
-rxn:4:212568:227287,COc1nc(C(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VRHLYCYWYILSLR-UHFFFAOYSA-N
-rxn:4:212568:227288,CN(C)C(=O)c1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NVVYSKLTKCMYIC-UHFFFAOYSA-N
-rxn:4:212568:227289,CC(C)(C)Oc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KGUMNWGOJQDTFM-UHFFFAOYSA-N
-rxn:4:212568:227296,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCC3)nc2)cc1,RFBJBKILCWQYGS-UHFFFAOYSA-N
-rxn:4:212568:227300,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(OC3CCC3)c2)cc1,RXCSZDUAGQLHCP-UHFFFAOYSA-N
-rxn:4:212568:227301,CN(C)Cc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,UYERTPSLEGEKFB-UHFFFAOYSA-N
-rxn:4:212568:227306,Cc1nc(OC(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AERBAXVFWMSOAB-UHFFFAOYSA-N
-rxn:4:212568:227307,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC(C)C)n1,LRUIFRBTBSBKLY-UHFFFAOYSA-N
-rxn:4:212568:227320,COc1cccc(N(C)C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KDYIDGVBKKMHIQ-UHFFFAOYSA-N
-rxn:4:212568:227325,CC(C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,SVFLBPCGWSSJAC-UHFFFAOYSA-N
-rxn:4:212568:227326,COC(=O)c1ccc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GGTBNZHWIIOQDX-UHFFFAOYSA-N
-rxn:4:212568:227329,COc1ccc(C(C)=O)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QVDKACJARLBRRT-UHFFFAOYSA-N
-rxn:4:212568:227330,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,VJLAKONQOVYWSA-UHFFFAOYSA-N
-rxn:4:212568:227336,CC(C)Oc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MTCDWYXHLPGEFZ-UHFFFAOYSA-N
-rxn:4:212568:227342,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,FNLWUNUBEHKALG-UHFFFAOYSA-N
-rxn:4:212568:227343,COC(=O)c1cc(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KOHVGQCYCKRVAY-UHFFFAOYSA-N
-rxn:4:212568:227347,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,LYQULQMHKKNPLB-UHFFFAOYSA-N
-rxn:4:212568:227348,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1OC,SIZCSEHYANZZNC-UHFFFAOYSA-N
-rxn:4:212568:227349,COc1cc(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1OC,MKAFTMHTNQFAIM-UHFFFAOYSA-N
-rxn:4:212568:227350,COc1cc(C)cc(OC)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DHTJRTOTVJGPMU-UHFFFAOYSA-N
-rxn:4:212568:227351,COC(=O)c1c(C)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YRIGJJQKWCLYBE-UHFFFAOYSA-N
-rxn:4:212568:227352,COC(=O)c1ccc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VBQFRACYAGCMGO-UHFFFAOYSA-N
-rxn:4:212568:227353,COc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,IXAAORZQYXLUIO-UHFFFAOYSA-N
-rxn:4:212568:227354,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,HKVBFCMHFFUHGN-UHFFFAOYSA-N
-rxn:4:212568:227355,CCOc1ccc(C)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SPNUTSATLYTVEU-UHFFFAOYSA-N
-rxn:4:212568:227359,COC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,FGCAMYZBCKSNGY-UHFFFAOYSA-N
-rxn:4:212568:227360,CCC(=O)c1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QBNCKBMZIARYEL-UHFFFAOYSA-N
-rxn:4:212568:227361,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)cc1C,VGGTVWVOSPRTIO-UHFFFAOYSA-N
-rxn:4:212568:227368,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(OC3CC3)c2)cc1,JPMGMWRJTQIKBC-UHFFFAOYSA-N
-rxn:4:212568:227370,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CC3)c(F)c2)cc1,BCDMPNRPKIYORD-UHFFFAOYSA-N
-rxn:4:212568:227375,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCC3)nc2)cc1,HHVDAMHPKZBSOX-UHFFFAOYSA-N
-rxn:4:212568:227376,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(N3CCCC3)c2)cc1,PTCQKGPOCRQELM-UHFFFAOYSA-N
-rxn:4:212568:227377,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1,PICKBJXWFXBQQY-UHFFFAOYSA-N
-rxn:4:212568:227386,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCCCC3)c2)cc1,HFLLFSRSINDZII-UHFFFAOYSA-N
-rxn:4:212568:227403,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)s2)cc1,PPKSZSVTDVMHHN-UHFFFAOYSA-N
-rxn:4:212568:227404,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCCCC3)cs2)cc1,UFLRTCJOLOGMLB-UHFFFAOYSA-N
-rxn:4:212568:227426,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCO3)nc2)cc1,AKGRCCMGHNTZCN-UHFFFAOYSA-N
-rxn:4:212568:227432,Cc1nc(C2COC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YLDBCJJLXXOCSK-UHFFFAOYSA-N
-rxn:4:212568:227437,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(C3CCCO3)c2)cc1,MHOFMQZROCLDIT-UHFFFAOYSA-N
-rxn:4:212568:227438,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(C3CCOC3)c2)cc1,YJDWLJFLMBYHDQ-UHFFFAOYSA-N
-rxn:4:212568:227441,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCC3)c(Cl)c2)cc1,ZZGIXVIKKSAYQB-UHFFFAOYSA-N
-rxn:4:212568:227444,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C3CCCO3)c2)cc1,QBWWHEVWVBYHCN-UHFFFAOYSA-N
-rxn:4:212568:227446,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3OCCO3)cc2)cc1,MNQRQXVVXFJWTG-UHFFFAOYSA-N
-rxn:4:212568:227449,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCOCC3)s2)cc1,OMDBJMYKGJJOHD-UHFFFAOYSA-N
-rxn:4:212568:227458,CN1CCOc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc21,ATRXYXCXIOHZSJ-UHFFFAOYSA-N
-rxn:4:212568:227467,COCCOc1cnccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RVSACFDEDIXNLC-UHFFFAOYSA-N
-rxn:4:212568:227475,CCOC(=O)c1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NWXZJCDNDBUBCY-UHFFFAOYSA-N
-rxn:4:212568:227477,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccn1,CLJOMBNUKCQRCI-UHFFFAOYSA-N
-rxn:4:212568:227480,CCCOc1nccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,NOPJWIGRIMNERT-UHFFFAOYSA-N
-rxn:4:212568:227485,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OCC(F)F)cc1,DOVXTFWTEJPPRO-UHFFFAOYSA-N
-rxn:4:212568:227486,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)F)cc2)cc1,YKXDTJXQWHJSRN-UHFFFAOYSA-N
-rxn:4:212568:227488,CSCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,OCBCDKOKTYFPOM-UHFFFAOYSA-N
-rxn:4:212568:227504,CC(C)Oc1ncc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JMPBITNBWVVONJ-UHFFFAOYSA-N
-rxn:4:212568:227508,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)n1,UIEZYJSWQAAQNS-UHFFFAOYSA-N
-rxn:4:212568:227511,CC(C)Oc1nccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,WTACLZKKRXFDQT-UHFFFAOYSA-N
-rxn:4:212568:227517,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3COC3)nc2)cc1,VPLMNAODUJJPDI-UHFFFAOYSA-N
-rxn:4:212568:227523,COC(=O)c1cnc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GBNGBLOLQXNWFL-UHFFFAOYSA-N
-rxn:4:212568:227535,CCOc1cc(F)c(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FBTRNXPFVMDMPJ-UHFFFAOYSA-N
-rxn:4:212568:227554,COC(=O)c1c(F)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YISVSHGJDFMQJG-UHFFFAOYSA-N
-rxn:4:212568:227557,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1Cl,KRTJKMFIIYIALL-UHFFFAOYSA-N
-rxn:4:212568:227560,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)F,MNWBMENBPVBTOE-UHFFFAOYSA-N
-rxn:4:212568:227561,COc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,RIGWIDXUAPHMKU-UHFFFAOYSA-N
-rxn:4:212568:227562,COc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1OC,MJDIRAPAWBTPAW-UHFFFAOYSA-N
-rxn:4:212568:227566,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1F,HQWDAFHNTFLGNW-UHFFFAOYSA-N
-rxn:4:212568:227567,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC,OTJJJNARQXAZEN-UHFFFAOYSA-N
-rxn:4:212568:227568,COc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,PMXDEIFJASPUQN-UHFFFAOYSA-N
-rxn:4:212568:227574,COc1c(F)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1OC,AZMJKTXRCPFZRG-UHFFFAOYSA-N
-rxn:4:212568:227575,COc1ccc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,JQEWVMYJQIFVFR-UHFFFAOYSA-N
-rxn:4:212568:227576,CCOc1c(Cl)cc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RMRRKSSEDVTKFR-UHFFFAOYSA-N
-rxn:4:212568:227580,COc1cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,YDQFQCYKHIMUGI-UHFFFAOYSA-N
-rxn:4:212568:227584,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC)c1Cl,VJSYJEILYYLIDK-UHFFFAOYSA-N
-rxn:4:212568:227587,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)c1OC,VWSFDYIIQIDELT-UHFFFAOYSA-N
-rxn:4:212568:227593,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)cc1Cl,CRVMFNNHQYQNMQ-UHFFFAOYSA-N
-rxn:4:212568:227610,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccn(C3CCCCO3)n2)cc1,XOARRIYMPIURNG-UHFFFAOYSA-N
-rxn:4:212568:227613,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCOCC3)c2)cc1,CKJNHNXSODNUFI-UHFFFAOYSA-N
-rxn:4:212568:227626,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCOC3)nc2)cc1,HHTQMSCZHNUCIB-UHFFFAOYSA-N
-rxn:4:212568:227662,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,LRTAGGSKXPLJMY-UHFFFAOYSA-N
-rxn:4:212568:227686,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1[N+](=O)[O-],JYESUTJYDFRKNP-UHFFFAOYSA-N
-rxn:4:212568:227691,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1[N+](=O)[O-],RJSVBOGFSPDHPI-UHFFFAOYSA-N
-rxn:4:212568:227698,COc1ncc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1OC,JFWSTTFGPKFHLP-UHFFFAOYSA-N
-rxn:4:212568:227712,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)c(F)c2)cc1,DVCSWTSOMCAMFV-UHFFFAOYSA-N
-rxn:4:212568:227714,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(SC(F)(F)F)cc2)cc1,OEXKFVOYTCNZLO-UHFFFAOYSA-N
-rxn:4:212568:227738,Cc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LBFFSXVBRBIXNM-UHFFFAOYSA-N
-rxn:4:212568:227759,COc1c(F)cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,QFUQWCJNHDCESS-UHFFFAOYSA-N
-rxn:4:212568:227793,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc1,FGNACKZJCHBHJK-UHFFFAOYSA-N
-rxn:4:212568:227800,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)nc(C(F)(F)F)c2)cc1,RNKGIHOWRSBQMX-UHFFFAOYSA-N
-rxn:4:212568:228082,CC(C)CCn1nccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LBRKCDLFRPCNBF-UHFFFAOYSA-N
-rxn:4:212568:228193,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCCC3)c2)cc1,ICYVMBMDLPYDDT-UHFFFAOYSA-N
-rxn:4:212568:228194,Cc1nn(C(C)C)c(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JJVKERQGBOKYQV-UHFFFAOYSA-N
-rxn:4:212568:228211,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCCC3)cs2)cc1,NEPPXHVERRKJHY-UHFFFAOYSA-N
-rxn:4:212568:228301,CCOC(=O)c1sccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CUSXFAULAFDXDD-UHFFFAOYSA-N
-rxn:4:212568:228338,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCC3)s2)cc1,RHWOXVWXECDJFR-UHFFFAOYSA-N
-rxn:4:212568:228343,COC(=O)c1sc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,LHXOHMXDHJDOQB-UHFFFAOYSA-N
-rxn:4:212568:228345,COC(=O)c1sc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KQTQIQAJUKRXHU-UHFFFAOYSA-N
-rxn:4:212568:228349,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnn(C3CCOC3)c2)cc1,FRDDDWNVDVFCRM-UHFFFAOYSA-N
-rxn:4:212569:223071,CCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)cc1,AFTMFWYBNXPCDX-UHFFFAOYSA-N
-rxn:4:212587:224125,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cn3)C2)cc1,WMIAWDHYPXHNKE-UHFFFAOYSA-N
-rxn:4:212599:224746,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)C1,BLQYNWZTUGXCFK-UHFFFAOYSA-N
-rxn:4:212607:223047,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)cn2)CC1,ATEZPPQOPMFYPO-UHFFFAOYSA-N
-rxn:4:212607:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OC2CCN(C(=O)C(CC)CC)CC2)nc1,ZGZAJDAEIVBDHP-UHFFFAOYSA-N
-rxn:4:212623:224061,CCCC1CCC(c2ccc(-c3cc(F)ccc3CC(=O)N3CCCC(COc4ncccn4)C3)c(F)c2)CC1,RFRRDMAGJUTCKM-UHFFFAOYSA-N
-rxn:4:212649:224247,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)C1,RHAJCPIHYHKICC-UHFFFAOYSA-N
-rxn:4:212649:226726,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCC(F)(F)F)cn2)C1,MJGMYAPBONETCE-UHFFFAOYSA-N
-rxn:4:212649:227218,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,WDQRYJBUIYIBJW-UHFFFAOYSA-N
-rxn:4:212650:227252,CCCOc1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)ccc1Cl,XUHXFOTZJBCOQV-UHFFFAOYSA-N
-rxn:4:212708:224683,COc1ccc(C2=NN(C(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,QMJLVHRTXUYUCZ-UHFFFAOYSA-N
-rxn:4:212748:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PNIKCTKQVGVBIQ-UHFFFAOYSA-N
-rxn:4:212751:228962,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccn4nnnc34)c2)CCN1C(=O)OC(C)(C)C,NLUFQUYOPXFOIU-UHFFFAOYSA-N
-rxn:4:212771:225977,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2s1,SRGNKZPOOWEERQ-UHFFFAOYSA-N
-rxn:4:212781:223903,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,SYXDGUIPRFKSLA-UHFFFAOYSA-N
-rxn:4:212809:224683,Cn1c(=NC(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)ccc21,VWULWBGUNSMFLR-UHFFFAOYSA-N
-rxn:4:212839:227408,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCC5)ncc4F)ccn23)CC1,VUYMCKDHSIGVGQ-UHFFFAOYSA-N
-rxn:4:212920:223504,COCCN1CCC(Oc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cn2)CC1,RYEGBRDDSHFSAM-UHFFFAOYSA-N
-rxn:4:212943:223664,CCOC(=O)N1CCN(c2ncc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cc2C(F)(F)F)CC1,FKEFHSBBWPAVMF-UHFFFAOYSA-N
-rxn:4:212943:227213,CCCCSc1cncc(-c2cnc(N3CCN(C(=O)OCC)CC3)c(C(F)(F)F)c2)c1,SADRIFFSDXRZDX-UHFFFAOYSA-N
-rxn:4:212944:225231,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(Cl)c(N3CCCCC3C)c2)CC1,AZJNAWTXIXBMLL-UHFFFAOYSA-N
-rxn:4:212966:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c2ccccc12,CNYVLQXMCDTIQD-UHFFFAOYSA-N
-rxn:4:212988:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cc2)CC1,ZCBRIWWJNROFQU-UHFFFAOYSA-N
-rxn:4:212989:226644,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cncc(N4CCOCC4)c3)s2)CC1,VBLFARUARJJZJQ-UHFFFAOYSA-N
-rxn:4:212992:223075,O=S(=O)(Nc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1)C1CC1,AEHWWUOBAKRIGH-UHFFFAOYSA-N
-rxn:4:213000:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)Cc4ccccc4)C3)nc2)c1,USMNQBNJEJYZSS-UHFFFAOYSA-N
-rxn:4:213011:224963,CC(C)C(=O)N1CCCC(COc2ncc(-c3cccc(COC4CCOCC4)c3)cn2)C1,UICKJMAFKDOHBJ-UHFFFAOYSA-N
-rxn:4:213048:224462,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1C,MZFYSIPNENAMJA-UHFFFAOYSA-N
-rxn:4:213053:224184,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3ccc(OCCn4ccc(=O)cc4)cc3)cn2)C1,FXTFURFTFMTQSB-UHFFFAOYSA-N
-rxn:4:213057:222466,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)C2)c1F,TXFRKLQQMGRCSU-UHFFFAOYSA-N
-rxn:4:213076:223570,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cn2)cc1,XDKYLMPPCVTKRG-UHFFFAOYSA-N
-rxn:4:213080:227465,COCCOc1cncc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,JETJHHBFFOUVIX-UHFFFAOYSA-N
-rxn:4:213104:223681,CC(C)(C)OC(=O)n1c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc2cc([N+](=O)[O-])ccc21,WRMXRNKTXQOSKS-UHFFFAOYSA-N
-rxn:4:213131:222506,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)cn2)CC1,ZZWOUKWVMVMSER-UHFFFAOYSA-N
-rxn:4:213133:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc2cccnc12,ISIQMTOERYALMV-UHFFFAOYSA-N
-rxn:4:213138:225977,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)cnc3N3CCOCC3)cnc2F)CC1,VPSRBFJXTKEWMI-UHFFFAOYSA-N
-rxn:4:213139:223154,CCNC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,ORIWPZHFVYABSD-UHFFFAOYSA-N
-rxn:4:213150:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1F,QMABNJZDICYFTJ-UHFFFAOYSA-N
-rxn:4:213150:224941,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCOCC4)cc3)cn2)CC1,LNTBVMYJJOCEOH-UHFFFAOYSA-N
-rxn:4:213158:223482,COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2ccncc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)C1,QSMXUQPOFIFRJY-UHFFFAOYSA-N
-rxn:4:213164:222634,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YFLZKXGAXLFNCP-UHFFFAOYSA-N
-rxn:4:213184:223812,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2)nc1,JXQONSYODMQHOX-UHFFFAOYSA-N
-rxn:4:213192:227899,CCC#Cc1cncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,ZUELZGRWBDYXBJ-UHFFFAOYSA-N
-rxn:4:213196:223812,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UIFDYJPYJUQWJD-UHFFFAOYSA-N
-rxn:4:213226:225313,CN1CCN(c2ccc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)c(F)n2)CC1,OOWQRDZURVMWQW-QHCPKHFHSA-N
-rxn:4:213268:223882,Cc1cccc2c1cc(-c1ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc1)n2C(=O)OC(C)(C)C,OAJPBNYLDHJHQO-MMTVBGGISA-N
-rxn:4:213268:224491,CC(C)N(Cc1cc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)ccc1F)C(C)C,WVJDHPDHZOTRGI-ZTOMLWHTSA-N
-rxn:4:213273:222925,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccc(C3CNC3)c(C(F)(F)F)c2)C1,GUPBUBAXOIAKEC-UHFFFAOYSA-N
-rxn:4:213284:224683,O=C(c1cc(F)cc(-c2ccc(CN3CCC(c4cc(-c5cccc(C(F)(F)F)c5)[nH]n4)CC3)cc2)c1)N1CCCCC1,GTBHXRSMJIJWBB-UHFFFAOYSA-N
-rxn:4:213285:224683,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)C2)c1,WGFNPDUDBCTMEZ-UHFFFAOYSA-N
-rxn:4:213323:222619,C#CCn1c(=NC(=O)c2ccc(-c3ccc(CNC(=O)C4CCCCC4)cc3)cc2)sc2cc(S(N)(=O)=O)ccc21,ILEREQHBRBIVEI-UHFFFAOYSA-N
-rxn:4:213360:225898,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cnn(CCN4CCOCC4)c3)ccc21,PCOKESCLIICDJX-UHFFFAOYSA-N
-rxn:4:213396:224774,O=C(Cn1ccc2cc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,DZJVUKQQQIZHPV-UHFFFAOYSA-N
-rxn:4:213397:224187,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc1)SCC2)N1CCc2ccccc21,GIASGSPAUVOMBL-UHFFFAOYSA-N
-rxn:4:213398:224817,CN(C)CCCn1c(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)nc(=S)c2c1CCCC2,IEYDPWVVDREEGC-UHFFFAOYSA-N
-rxn:4:213403:224127,CCN1CCN(C(C)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(c5ccccc5OC)CC4)c3)cc2)CC1,HMFQCPCGNICYOB-UHFFFAOYSA-N
-rxn:4:213403:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(c5ccccc5OC)CC4)c3)cc2)CC1,GFQGQAFCRVBZSD-QVYRIUEQSA-N
-rxn:4:213428:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)cc1,MCSCWAXLJXXBGW-MHZLTWQESA-N
-rxn:4:213453:222503,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cc(F)cc(C(=O)NCc5ccc(F)cc5)c4)cc3)N2C1=O,MHNCVHRPLJDZMX-UHFFFAOYSA-N
-rxn:4:213633:224395,FC(F)(F)CN1CCC(Cn2cc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)CC1,USRKOMZEZUUROW-UHFFFAOYSA-N
-rxn:4:213652:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cnsn2)C1,RLMJKCIPWWZBGX-UHFFFAOYSA-N
-rxn:4:213663:224755,CC(C)(C)OC(=O)N1CC(c2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,SYAQCCHQICKIBP-UHFFFAOYSA-N
-rxn:4:213714:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1,IBEDVNIYQKJSNG-IBGZPJMESA-N
-rxn:4:213758:222826,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cn1,MRILWDVJVFYYCB-UHFFFAOYSA-N
-rxn:4:213761:222580,O=C(C1CC=CCC1)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cn2)C1,CTURFWGBHMHZMX-UHFFFAOYSA-N
-rxn:4:213786:222741,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,JYPKFJCMEIFQFA-UHFFFAOYSA-N
-rxn:4:213786:222742,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)C1,UGJLAEURKIEEDC-UHFFFAOYSA-N
-rxn:4:213799:225179,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cccc(Cl)c3CN3CCOCC3)ncn2)C1,DHNSICBSVSAEDD-UHFFFAOYSA-N
-rxn:4:213800:225882,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(C3CCOCC3)c2)ncn1,RNZYCIBSBVKVIK-UHFFFAOYSA-N
-rxn:4:213810:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccccc2C(=O)N2CCC(Oc3cccnn3)CC2)CC1,WUQWZJWTJLCKOJ-UHFFFAOYSA-N
-rxn:4:213863:222694,O=S(=O)(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)c1,XOOOHXCGLDYTIJ-UHFFFAOYSA-N
-rxn:4:213882:224893,CC(C)(C)c1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)cc(C(C)(C)C)n1,YWLXBWPSBVHRNW-UHFFFAOYSA-N
-rxn:4:213902:222915,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(=O)NC4=NCCS4)cc3)cc2F)CC1,ARHRTAMGFPOTIM-UHFFFAOYSA-N
-rxn:4:213910:223492,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PSPOOHFNFPTJKT-UHFFFAOYSA-N
-rxn:4:213927:222634,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc(C)n1,CONUFQKPDNJZRJ-UHFFFAOYSA-N
-rxn:4:213933:227366,CC(C)Oc1cc(Cl)cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,GBFCLFASIMIKKC-UHFFFAOYSA-N
-rxn:4:213937:224378,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)CC2=O)ccn1,VQIMHRGWRFWSIY-UHFFFAOYSA-N
-rxn:4:213968:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3cc(C)ccc3C)C2)nc1,MKWPVLMAMYWUQM-UHFFFAOYSA-N
-rxn:4:213972:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1C,YFOULAIHKMYWFO-UHFFFAOYSA-N
-rxn:4:213972:228183,COCc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1Cl,SNIBUMZWUCDZIY-UHFFFAOYSA-N
-rxn:4:214008:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,UGYXAZOMUBDYTJ-UHFFFAOYSA-N
-rxn:4:214012:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,SLVAOPFHOQQZKP-UHFFFAOYSA-N
-rxn:4:214012:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,KLNJIUMLFKDTDE-UHFFFAOYSA-N
-rxn:4:214013:225376,COc1cc(N2CCN(C(=O)c3cccc(-c4cc(F)c(F)c(OCC(F)(F)F)c4)c3C)CC2=O)ccn1,MPCULQDXDBXJOK-UHFFFAOYSA-N
-rxn:4:214015:226285,CC(C)COc1ccc(Cl)c(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c1,DJWPEBIFRFERQU-UHFFFAOYSA-N
-rxn:4:214024:224463,CC(=O)c1ccc(-c2ccc(-c3cnc(OC4CCN(C(=O)C5CCC(F)(F)CC5)CC4)nc3)cc2)cc1,PDZLAYUREKIZMB-UHFFFAOYSA-N
-rxn:4:214033:224937,CCOC(=O)C1(c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)CC1,GIVXTBLMKLENAN-JWQCQUIFSA-N
-rxn:4:214033:227043,Cc1cc(OC(C)C)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,DNKXXDHLZPKGPA-JWQCQUIFSA-N
-rxn:4:214038:222723,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1C,GAQUIUJEFQWARH-UHFFFAOYSA-N
-rxn:4:214062:223662,CCN1CCN(Cc2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])cc2N2CCOCC2)CC1,OKRWBJUWPLZNRJ-UHFFFAOYSA-N
-rxn:4:214064:222750,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)NCc4ccco4)cc3)cc2N2CCOCC2)CC1,WVHCJAROWRUSGQ-UHFFFAOYSA-N
-rxn:4:214079:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)c1F,HJSAUBFVOTWTTE-UHFFFAOYSA-N
-rxn:4:214083:223976,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(OC5CCCC5)cc(OC(F)(F)F)c4)no3)CC2)cc1C,FNGZCEUBOIIUDH-UHFFFAOYSA-N
-rxn:4:214084:224683,CN1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)oc2-c2ccc(Cl)cc2)CC1,LGZSKGUOWNRXJE-UHFFFAOYSA-N
-rxn:4:214132:223539,CCOC(=O)c1nc2c(-c3ccccc3)nccn2c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,QFZGKLJYBRKKGE-UHFFFAOYSA-N
-rxn:4:214255:222636,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c2c(Cl)ncnc21,VJYQMFDCXPALQF-HXUWFJFHSA-N
-rxn:4:214276:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1,QWHRUBHBUCSYQW-UHFFFAOYSA-N
-rxn:4:214320:226115,CC(C)CC(=O)c1cccc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,VEFDCNRQNWUSBY-UHFFFAOYSA-N
-rxn:4:214585:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ncccc3CN3CC(S(N)(=O)=O)C3)cc2)CC1,FKXVIAKSUKGVEF-UHFFFAOYSA-N
-rxn:4:214585:223897,Cc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1OCCCN1CCOCC1,SPBKIEDIHFDNKL-UHFFFAOYSA-N
-rxn:4:214631:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)C4)cn3)cc2)CC1,DSQIJNOPPMRWNG-UHFFFAOYSA-N
-rxn:4:214666:223695,Cc1noc(C2CN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)C2)n1,MZWYXPGLUJKHKZ-UHFFFAOYSA-N
-rxn:4:214672:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cnn(C)c2C(=O)N2CCC(OC)CC2)cc1C,FUNXTNLAGGCZEM-UHFFFAOYSA-N
-rxn:4:214696:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnn(CC3CN(C4CCCC4)C3)c2)CC1,VECHZXMYIOQDKX-UHFFFAOYSA-N
-rxn:4:214698:223602,CCCc1nc(N2CCN(C)CC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,DLAXBSTZDDAQBF-UHFFFAOYSA-N
-rxn:4:214705:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)c(F)ccc21,NKBODEWWGQWBMO-UHFFFAOYSA-N
-rxn:4:214709:222723,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZCUJFJNFVMGDIP-UHFFFAOYSA-N
-rxn:4:214711:222442,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)CC1,PSUWDYCQCTXUGJ-UHFFFAOYSA-N
-rxn:4:214716:223728,CCCCCC1CCC(c2ccc(-c3cc(N4CCN(CC)CC4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,JMOVIPXINLQXBL-UHFFFAOYSA-N
-rxn:4:214746:223504,CN(C)C1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2C#N)CC1,YAECHDVQLRKZTF-UHFFFAOYSA-N
-rxn:4:214765:222822,Cc1cc(F)c(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])cc1S(=O)(=O)NC1CC1,HUIJHWCULRFVSC-UHFFFAOYSA-N
-rxn:4:214818:225531,CCN(CC)Cc1cc(F)ccc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,CZZUCBXQBUKYHT-UHFFFAOYSA-N
-rxn:4:214819:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,DUFFOLCSZQKAEQ-UHFFFAOYSA-N
-rxn:4:214820:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cc2F)CC1,VUAAAGCHDGOQDU-UHFFFAOYSA-N
-rxn:4:214821:226755,COC(=O)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(Cl)cc1F,OWUOYUYNCFUUCT-UHFFFAOYSA-N
-rxn:4:214829:222517,O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,MZTURXIHZZQOFL-UHFFFAOYSA-N
-rxn:4:214835:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,SEAKCXBYEZOFMV-UHFFFAOYSA-N
-rxn:4:214839:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ZPJHOLBFFMEGGQ-UHFFFAOYSA-N
-rxn:4:214859:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,KSTULUKQAPDSLC-UHFFFAOYSA-N
-rxn:4:214865:222869,CC(C)CNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,VWJLWFCTPHBNPV-UHFFFAOYSA-N
-rxn:4:214866:226510,CC(C)COc1nccc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1Cl,CNGPJGCECBFBBB-UHFFFAOYSA-N
-rxn:4:214872:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,BCXHIRLKLMXBAC-UHFFFAOYSA-N
-rxn:4:214873:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,GEDVNLPHJYYNCH-UHFFFAOYSA-N
-rxn:4:214880:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1Cl,HWXJPABREJWOTD-UHFFFAOYSA-N
-rxn:4:214888:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c1,TXBIEMVQVPVGBK-UHFFFAOYSA-N
-rxn:4:215025:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c4cccnc34)cc2)C1,JWVVFCKMHUCITC-UHFFFAOYSA-N
-rxn:4:215027:222719,CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c21,WMRLXPUJKUZIIX-UHFFFAOYSA-N
-rxn:4:215075:224801,CCCOc1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)cc(C(F)(F)F)c1F,YKRNDSMZXBVEFG-UHFFFAOYSA-N
-rxn:4:215155:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)ccc2C)CC1,ZGZJSFZMKJXZSR-UHFFFAOYSA-N
-rxn:4:215166:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1C(=O)N1C2CCC1CC(n1cccn1)C2,VBEJADPBLMDEBF-UHFFFAOYSA-N
-rxn:4:215170:225537,CCN(CC)Cc1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,YQOOWURYFFHZIZ-UHFFFAOYSA-N
-rxn:4:215285:225293,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(C(F)(F)F)c(OC(C)C)c3)cc2)cc1,WDZCFNNIXXWTEB-UHFFFAOYSA-N
-rxn:4:215682:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC4)c([N+](=O)[O-])c3)ccn2)CC1,BJMMRVDKHNCLON-UHFFFAOYSA-N
-rxn:4:215708:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,IUVQUOCMZFJXAL-UHFFFAOYSA-N
-rxn:4:215772:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,IOGUWCXUHDGLLS-UHFFFAOYSA-N
-rxn:4:215831:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)c(F)c1,IQJNDDFXMYPBCL-UHFFFAOYSA-N
-rxn:4:215892:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc([N+](=O)[O-])c3N3CCN(C)CC3)c2)C1,AGLOMFGYMLRXTH-UHFFFAOYSA-N
-rxn:4:215904:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1,MHNIGYJTGKNTAT-UHFFFAOYSA-N
-rxn:4:215908:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,LJBWUHCXSGPZBN-UHFFFAOYSA-N
-rxn:4:215927:222537,c1c(-c2nc(C3CC3)cc(N3CCCCC3)n2)cc(C2CCCNC2)nc1C1CCCC1,GDBGWXGFPJTURL-UHFFFAOYSA-N
-rxn:4:215957:223785,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2Cl)CC1,YHRKTMVUQPZRGB-UHFFFAOYSA-N
-rxn:4:215970:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(SC)nc1N1CCC2(CC1)OCCO2,AEAFSIMFJCPCJU-UHFFFAOYSA-N
-rxn:4:216299:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4C(=O)N4CCc5nc6ccccn6c(=O)c5C4)c3C(=O)C1C2(C)C,GMUKXKKKLWBWCI-UHFFFAOYSA-N
-rxn:4:216319:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,GMALPBXTHCAFPM-UHFFFAOYSA-N
-rxn:4:216354:224399,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc1C1CC(c3ccccc3)=NN12,CZRPBZZURCPQAI-UHFFFAOYSA-N
-rxn:4:216355:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)cc1,VMJHAAWLNQWDHI-UHFFFAOYSA-N
-rxn:4:216921:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4=O)cn3)cc2Cl)CC1,RFGWGPGJJVPJBL-UHFFFAOYSA-N
-rxn:4:217026:223499,CN1CC(c2cnc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,HLIBJSNIMMCSII-UHFFFAOYSA-N
-rxn:4:217865:223748,C=C1CC2CCC(C1)N2c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cn1,PKSJXOAOKDAWBQ-UHFFFAOYSA-N
-rxn:4:217889:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)c2)CC1,MAYRVXSLAWPKOK-UHFFFAOYSA-N
-rxn:4:217902:222589,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,XSAGPNVUUJVUTJ-UHFFFAOYSA-N
-rxn:4:218604:224598,COc1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(N5CCC(C)CC5)cc4OC)cn3)CC2)cn1,XJUXAFGOTKFOBB-UHFFFAOYSA-N
-rxn:4:218606:223838,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,OJNPXSVDNUITPL-UHFFFAOYSA-N
-rxn:4:218653:222432,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5ccc(S(=O)(=O)NC6CCCCC6)c6ccccc56)cn4)C3)CC2=O)cc1,OPUDZXPBKGYLQL-UHFFFAOYSA-N
-rxn:4:218655:224687,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cn2)CC1,JMBDTRDCBQKKQH-UHFFFAOYSA-N
-rxn:4:218666:223945,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)C2)nn1,GSLDBOBUPXWCBQ-UHFFFAOYSA-N
-rxn:4:218682:222546,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)CC1,GPYVKKDIFCYJMU-UHFFFAOYSA-N
-rxn:4:218710:223216,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCC(=O)N5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PHDLXAUUEAHELV-UHFFFAOYSA-N
-rxn:4:218710:223477,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKZCGXFCBIDOSC-UHFFFAOYSA-N
-rxn:4:218710:224404,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RVORNKUEXYFDIL-UHFFFAOYSA-N
-rxn:4:218710:228499,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)nn4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PCOQHTKGMXYBQC-UHFFFAOYSA-N
-rxn:4:218711:223275,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4ncc[nH]4)nc3)CC2)CC1,HCTIFYUSJPDIQV-UHFFFAOYSA-N
-rxn:4:218712:223120,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cccc(C(=O)NC5CC5)c4)c3C)CC2)c(C)c1,CHYFYSYHWJZJBG-UHFFFAOYSA-N
-rxn:4:218785:225979,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc1-2,XRYZVNSYZCFXFW-UHFFFAOYSA-N
-rxn:4:218788:227539,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1c(OC)cc(Cl)cc1OC,PBDNEJWDBYDPHT-UHFFFAOYSA-N
-rxn:4:218837:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(Cc5cocn5)CC4)nc3)ccc2OC)CC1,FOAJYSHXNYJZSS-UHFFFAOYSA-N
-rxn:4:218867:225448,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)ccc3OC3CCCC3)c2)no1,RZFUFDDJWWALTB-UHFFFAOYSA-N
-rxn:4:218867:225455,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCCC4)ccc3C)c2)no1,FSOVOTMTIHPBNY-UHFFFAOYSA-N
-rxn:4:218867:225688,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)c(Cl)c3)c2)no1,UIZLWRKSUPOEFV-UHFFFAOYSA-N
-rxn:4:218867:225977,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(Cl)cnc3N3CCOCC3)c2)no1,IHHUHSYRRNPCPT-UHFFFAOYSA-N
-rxn:4:218867:226323,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCC4)nc3)c2)no1,PHDOEENXYSPWRE-UHFFFAOYSA-N
-rxn:4:218877:223816,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2c(Cl)ccnc21,GHSSMJAHKNFLTF-UHFFFAOYSA-N
-rxn:4:218886:224404,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)C1,IYTXYRKFIATNSJ-UHFFFAOYSA-N
-rxn:4:218894:222807,N#Cc1cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)cnc1N1CCC(COc2ccncc2Cl)CC1,YUQDPCKPKUAAPK-UHFFFAOYSA-N
-rxn:4:218901:222514,COCCc1nsc(N2CCN(c3cccc(-c4ccc(OC)c(S(=O)(=O)NC5CCCCC5)c4)c3)CC2)n1,UKQZCVTUDKGAPZ-UHFFFAOYSA-N
-rxn:4:218903:223281,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4(O)COC4)nc3)cc2C#N)CC1,SNYXKLPJAVBLIB-UHFFFAOYSA-N
-rxn:4:218903:226284,CC(C)COc1cc(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1,CYSVUPDFDMSDAS-UHFFFAOYSA-N
-rxn:4:218914:223641,CCc1cc2c(cc1F)cc(-c1cnc(OCC3CCN(Cc4csc(C)n4)CC3)nc1)n2C(=O)OC(C)(C)C,ZERVFMSNGZFERH-UHFFFAOYSA-N
-rxn:4:218917:223118,CCCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,DSHUYGWCPKZOJM-UHFFFAOYSA-N
-rxn:4:218945:228232,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(C4CC4)c3)cncc2[N+](=O)[O-])CC1,NLQJAJRULKEIPW-UHFFFAOYSA-N
-rxn:4:218972:222607,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)s1,PMVRPXMMJBJNKL-UHFFFAOYSA-N
-rxn:4:218973:222684,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)nc1,QQEZMFRYJHGJBG-UHFFFAOYSA-N
-rxn:4:219013:228090,CCOCc1cncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,KVXIJJYRZJWUAH-UHFFFAOYSA-N
-rxn:4:219046:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,MBUQAEKWMIPGQX-UHFFFAOYSA-N
-rxn:4:219052:225171,Cc1cnc(N(C)C2CCCN(C(=O)Cc3ccccc3-c3cc(F)cc(CN4CCOCC4)c3)C2)nc1,RYYKRBJYWOQJAQ-UHFFFAOYSA-N
-rxn:4:219053:225170,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)ccc4CN4CCOCC4)c3)cn2)CC1,USSDRDNERGFKPV-UHFFFAOYSA-N
-rxn:4:219120:224592,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CCCCC1,KEOHQFCYPPVATN-UHFFFAOYSA-N
-rxn:4:219128:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c2nc(Cl)ccc21,SNMYWEUTHLWLJM-UHFFFAOYSA-N
-rxn:4:219129:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccc2Cl)CC1,LWRANNGUHUFXAY-UHFFFAOYSA-N
-rxn:4:219155:223598,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)c2)C3)nc1,YZDSZUJASAFGNU-UHFFFAOYSA-N
-rxn:4:219205:222546,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,VGAZWSYCIAFSHV-UHFFFAOYSA-N
-rxn:4:219253:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)ccc2OC)CC1,NIFIGUIUMUZQRZ-UHFFFAOYSA-N
-rxn:4:219354:223695,CN(C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1)S(=O)(=O)C1CC1,DURRXMROHRKDRU-UHFFFAOYSA-N
-rxn:4:219385:223595,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1F,BERFLSKZMWOWLX-UHFFFAOYSA-N
-rxn:4:219409:223522,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,KJLQFLIOEVPPFS-UHFFFAOYSA-N
-rxn:4:219462:222411,CNC(=S)Nc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1,GRKYKUPJACZKGB-UHFFFAOYSA-N
-rxn:4:219471:226472,CSc1ncc(-c2ccnc(OCCN(C)C)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,OMOBTEIYEHPUPD-UHFFFAOYSA-N
-rxn:4:219490:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)cnn2C)cc1,QNXMFOJESTWDOW-UHFFFAOYSA-N
-rxn:4:219501:227571,CCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,MSVHKULMCITWPB-UHFFFAOYSA-N
-rxn:4:219523:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,BFCITVMCOLEBJS-UHFFFAOYSA-N
-rxn:4:219529:228016,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cc(C2CCCC2)cs1,HHFOHXUMNRIPAZ-UHFFFAOYSA-N
-rxn:4:219537:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCCC1,DBWYVYCQIKHQQU-UHFFFAOYSA-N
-rxn:4:219537:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1,UIITUGHJXNGMQP-UHFFFAOYSA-N
-rxn:4:219538:225242,N#Cc1cc(-c2cnc(Cl)c(-c3ccc(F)cc3)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,WDWGJMXHTJLJFV-UHFFFAOYSA-N
-rxn:4:219538:226471,CN(C)CCOc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,QYJCNHXIRHBWIK-UHFFFAOYSA-N
-rxn:4:219650:222892,COc1cc(N2CCNCC2)ccc1-c1cc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1OC,JCOBDPRYOWKTSR-UHFFFAOYSA-N
-rxn:4:219654:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,AIQIBLTVLCGZHX-UHFFFAOYSA-N
-rxn:4:219692:225898,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(CCN4CCOCC4)c3)c3cnc(Cl)nc32)CC1,UJBBLNVQAHMURI-UHFFFAOYSA-N
-rxn:4:219692:226001,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)c(C#N)c3)c3cnc(Cl)nc32)CC1,RILORYYTKNFZPD-UHFFFAOYSA-N
-rxn:4:219704:225294,CCN1CCN(c2ncc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cn2)CC1,JPKATBMAORQHGH-UHFFFAOYSA-N
-rxn:4:219760:224830,O=c1n(Cc2cccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c2)nc2c(S(=O)(=O)N3CCCCCC3)cccn12,UGYWQBXAFYWCKC-UHFFFAOYSA-N
-rxn:4:219766:223050,CC(C)NC(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,CGVRRHICQOGJRU-UHFFFAOYSA-N
-rxn:4:219903:224325,CC(C)N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2[N+](=O)[O-])CC1,FPPJHOFZJNJODM-UHFFFAOYSA-N
-rxn:4:219937:222395,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)n3)C2)c1,KAFOSGDABPAOTI-UHFFFAOYSA-N
-rxn:4:219941:224101,COc1cc(N2CCN(c3ncc(Cl)cc3-c3cccc(OCCN4CCC(C)CC4)c3)CC2=O)ccn1,BIMSLROUWYMBAF-UHFFFAOYSA-N
-rxn:4:219955:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,LIRHNBGBFDRDHD-UHFFFAOYSA-N
-rxn:4:219961:222584,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nn1,RUTMDNONOFQNIT-UHFFFAOYSA-N
-rxn:4:219985:223592,CCc1cnc(N2CCN(c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc3)CC2)nc1,WWHPHWWDPJHXAR-UHFFFAOYSA-N
-rxn:4:219998:226718,COc1nc(OC)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1SC,ZHJSZOCBUGAXNU-UHFFFAOYSA-N
-rxn:4:220209:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)c2)CC1,FJGOVGFBQQXMHS-UHFFFAOYSA-N
-rxn:4:220394:223845,CN1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2C#N)CC1,WPCDGGPLNVNKCQ-UHFFFAOYSA-N
-rxn:4:220397:223845,CCN1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,BVLQGEWLEBUJIS-UHFFFAOYSA-N
-rxn:4:220405:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)CC1,FBGDHPBWCOZMMY-UHFFFAOYSA-N
-rxn:4:220413:223841,Cc1cc(F)c(-c2cnc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,PBVBVAQSUYGXIZ-UHFFFAOYSA-N
-rxn:4:220430:224634,COc1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc1CN1CCOCC1,FPZUZYSTQFINBA-UHFFFAOYSA-N
-rxn:4:220431:223841,Cc1cc(F)c(-c2cnc(N3CCN(c4cccc(C)c4C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YQHWIMZPOJIWAS-UHFFFAOYSA-N
-rxn:4:220431:223842,Cc1cccc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cn3)CC2)c1C,CEFQEJAXIFOSNN-UHFFFAOYSA-N
-rxn:4:220431:223844,Cc1cccc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)CC2)c1C,PAVIHIUBRFBPAY-UHFFFAOYSA-N
-rxn:4:220432:223841,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)CC2)n1,RSUIETAAQGOCDH-UHFFFAOYSA-N
-rxn:4:220432:223842,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)CC2)n1,SQPJVRSADFAEGN-UHFFFAOYSA-N
-rxn:4:220432:223844,Cc1cc(C)nc(N2CCN(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cc3)CC2)n1,DWTACUNNDOQBBQ-UHFFFAOYSA-N
-rxn:4:220432:223845,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)n1,JAQASHQFHWEBGE-UHFFFAOYSA-N
-rxn:4:220443:223845,CCC(=O)N1CCn2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)nc2C1,PEABLMREPPZORA-UHFFFAOYSA-N
-rxn:4:220518:223648,CCN1CCN(c2cnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3n2)CC1,SKWQHUSWKURWNF-UHFFFAOYSA-N
-rxn:4:220518:223835,CCN1CCN(c2cnc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3n2)CC1,UQHPEPJMEVYAGB-UHFFFAOYSA-N
-rxn:4:220533:225227,CC1CCN(c2ncc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2Cl)CC1,UQQTXYABYGASAC-UHFFFAOYSA-N
-rxn:4:220536:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc(F)c2s1,JVHWORRNVJOXRW-UHFFFAOYSA-N
-rxn:4:220935:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc4ccc(N5CCOCC5)nn34)c2Cl)CC1,FFJFBKDAWDJKFV-UHFFFAOYSA-N
-rxn:4:220951:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(s3)-n3cnnc3CN=C4c3ccccc3Cl)cc2[N+](=O)[O-])CC1,PGRZXZJBJPXZLX-UHFFFAOYSA-N
-rxn:4:221101:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5OC)C4)nc3)c2)CC1,LGVLMCVBGCLFNW-UHFFFAOYSA-N
-rxn:4:221103:223812,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cn1,DXAXATANNWSYOE-UHFFFAOYSA-N
-rxn:4:221106:223539,COc1ccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CQFCFSYHKLJMRE-UHFFFAOYSA-N
-rxn:4:221110:228890,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(F)c(C#N)c4)cn3)CC2)CC1,VQZYJYOBEAHPGD-UHFFFAOYSA-N
-rxn:4:221169:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,HKHFUBDIDFJSKJ-UHFFFAOYSA-N
-rxn:4:221169:224820,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)cn1,CVRQURYQYXINFU-UHFFFAOYSA-N
-rxn:4:221172:222634,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)ccc1=O,GXQZIKYQNVDBJU-UHFFFAOYSA-N
-rxn:4:221172:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)cc1,GZDDXTJYQFNHHJ-UHFFFAOYSA-N
-rxn:4:221175:222424,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cn3)C2)C(=O)C1=O,YOIIFTFFKZLJBK-UHFFFAOYSA-N
-rxn:4:221175:227114,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(C)c4Cl)cn3)C2)C(=O)C1=O,QAZSFACDSGNYHI-UHFFFAOYSA-N
-rxn:4:221175:227116,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(Cl)c4C)cn3)C2)C(=O)C1=O,GAWNVZSMDYKVAI-UHFFFAOYSA-N
-rxn:4:221175:228011,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(Cl)cccc4C4CC4)cn3)C2)C(=O)C1=O,ZSEJIPFCSKMDBQ-UHFFFAOYSA-N
-rxn:4:221175:228235,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(F)c4C(C)C)cn3)C2)C(=O)C1=O,RZBKSZBSVZIZGA-UHFFFAOYSA-N
-rxn:4:221175:228639,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(F)c4C)cn3)C2)C(=O)C1=O,AIWXYUDOOIVVIW-UHFFFAOYSA-N
-rxn:4:221175:228643,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(Cl)c4C)cn3)C2)C(=O)C1=O,HLEQMRUILSPNLS-UHFFFAOYSA-N
-rxn:4:221184:224421,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cn3)C2)n1,RKSUHKRKFVOVOR-UHFFFAOYSA-N
-rxn:4:221198:222546,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1,FIGNXIGFUGSMFL-UHFFFAOYSA-N
-rxn:4:221199:223841,Cc1cc(F)c(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)n3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,IKDUJRDZZLOFKU-UHFFFAOYSA-N
-rxn:4:221202:224326,Cc1cc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1S(=O)(=O)N1CCCCC1,UVOBUQKUTDLBRU-UHFFFAOYSA-N
-rxn:4:221207:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SJDBTXVNENVFGJ-UHFFFAOYSA-N
-rxn:4:221219:223696,COc1cc2ncnc(N3CC(Cn4cc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cn4)C3)c2cc1OC,WIXDYGJMSWUVDY-UHFFFAOYSA-N
-rxn:4:221230:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c2nc(Cl)ccc21,YQMPZIQIVPUPTR-UHFFFAOYSA-N
-rxn:4:221230:225542,CCCCCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c(F)c1F,NQVAROLJXVNBRA-UHFFFAOYSA-N
-rxn:4:221249:223028,CCCNC(=O)c1ccc(F)c(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c1,OAGQMEAOEYJDTH-UHFFFAOYSA-N
-rxn:4:221249:223812,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cnn4c3)cc2)CC1,YDUSEPKBJQLSTE-UHFFFAOYSA-N
-rxn:4:221272:225977,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,WMKPBFBSFSILOQ-UHFFFAOYSA-N
-rxn:4:221345:222602,CC(C)Cc1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,WCMDIPDFDDXRFE-UHFFFAOYSA-N
-rxn:4:221360:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,IVRCGUJGDJSKPO-UHFFFAOYSA-N
-rxn:4:221374:223596,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1=O,SRTSPXFPIAKHHS-UHFFFAOYSA-N
-rxn:4:221380:225098,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCCC5)nc4)c3)CC2)c1=O,SROLYBFDJHYNMT-UHFFFAOYSA-N
-rxn:4:221431:223160,CCNC(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c(F)c1,HWHVMPGNIJVNOG-UHFFFAOYSA-N
-rxn:4:221440:227213,CCCCSc1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,QDEBACHMERGHOS-UHFFFAOYSA-N
-rxn:4:221440:227242,CCCOc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,QNYKNGRRZLLLPG-UHFFFAOYSA-N
-rxn:4:221443:223992,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)c3)CC2)n1,CSUZXMDRHPCRHW-UHFFFAOYSA-N
-rxn:4:221445:224759,Cc1cc(N2CCN(Cc3cccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CC2)nc(N2CCOCC2)n1,MRLOFKKWAIVXNJ-UHFFFAOYSA-N
-rxn:4:221453:223093,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)CC2)n1,BQQCVJUCKZBXRO-UHFFFAOYSA-N
-rxn:4:221453:223127,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CNC5CC5)cc4F)cc3)CC2)n1,ZLHVWGIWXDVYHE-UHFFFAOYSA-N
-rxn:4:221453:223144,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)CC2)n1,KNVDGKLRYXBTQL-UHFFFAOYSA-N
-rxn:4:221453:223579,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)CC2)n1,SJTVOUDGAWVRFY-UHFFFAOYSA-N
-rxn:4:221453:223662,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])cc3)CC2)n1,FBQVJHUDOAZSAW-UHFFFAOYSA-N
-rxn:4:221453:224272,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,RFBYOJXVMNTJJG-UHFFFAOYSA-N
-rxn:4:221453:224414,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,UQLMRENHMUKYSN-UHFFFAOYSA-N
-rxn:4:221453:224617,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3)CC2)n1,FWYAEQIZMYWNPF-UHFFFAOYSA-N
-rxn:4:221453:225688,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCCC5)c(Cl)c4)cc3)CC2)n1,NNJHMOLNZSCGNH-UHFFFAOYSA-N
-rxn:4:221453:225750,CCN(CC)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(F)c1F,XPPKXMKLQCUHER-UHFFFAOYSA-N
-rxn:4:221498:223992,Cc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1S(=O)(=O)N1CCN(C)CC1,VAQBNTLPWRGFHU-UHFFFAOYSA-N
-rxn:4:221503:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5cnc6ccccc6n5)CC4)nc3)c(Cl)c2)CC1,VZLPTQUEUMYTDO-UHFFFAOYSA-N
-rxn:4:221521:223595,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)C3)n1)CCC2,OYTWYYQAACKTNM-UHFFFAOYSA-N
-rxn:4:221528:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(c4nc5ccccc5n4C)CC3)c(C(C)C)s2)cc1,SZENAUUBZLTRFS-UHFFFAOYSA-N
-rxn:4:221528:224669,CC(C)c1sc(-c2ccc(CN3CCN(C)CC3)cc2F)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,FECJLDGUNBOVKF-UHFFFAOYSA-N
-rxn:4:221599:223506,Cc1ccnc(N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,ULTMUSSFGDDXHJ-UHFFFAOYSA-N
-rxn:4:221667:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCC6)C4)c3)cc2[N+](=O)[O-])CC1,DDXSJSHCCIDSKV-UHFFFAOYSA-N
-rxn:4:221726:222624,CC(C)Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,VFSOUWOVXYYBGB-UHFFFAOYSA-N
-rxn:4:221726:222987,Cc1nc(C2CCNCC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,POLUKHSRSWWWAA-UHFFFAOYSA-N
-rxn:4:221729:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Cn5c(C)nc6ccccc6c5=O)CC4)nc3)c(F)c2)CC1,UMWCNQSWESTQNP-UHFFFAOYSA-N
-rxn:4:221780:222502,Cn1c(=O)n(Cc2ccc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,ZEIDLKQIAJOQLD-UHFFFAOYSA-N
-rxn:4:221836:222717,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,DUZSYPUOTQKRGA-UHFFFAOYSA-N
-rxn:4:221836:224396,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,CFYYRJYFEGZLHE-UHFFFAOYSA-N
-rxn:4:221849:223608,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc2)n(C)c1=O,HFBNENCEXHTJDC-UHFFFAOYSA-N
-rxn:4:221971:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)c1,JKMSQKKLZUUQJM-UHFFFAOYSA-N
-rxn:4:221975:222403,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=S)NC(C)C)c6)cc5)no4)C3C2=O)cc1,LYWTVFGJMPUILC-UHFFFAOYSA-N
-rxn:4:221975:222511,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC7CCCCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,OYJKVBNIQJQRIR-UHFFFAOYSA-N
-rxn:4:221975:222629,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)nc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,GHACCRSPVMPMAA-UHFFFAOYSA-N
-rxn:4:221975:222638,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,YCOJRXVGUGEUSE-UHFFFAOYSA-N
-rxn:4:221975:222759,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)cc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,MPYLCTGCXHCKOT-UHFFFAOYSA-N
-rxn:4:221975:222861,CCCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)ccc1F,RVAXCYQJFHMLMF-UHFFFAOYSA-N
-rxn:4:221975:222877,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1,HLDVMELWQRWCNY-UHFFFAOYSA-N
-rxn:4:221975:222989,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C)cc5)no4)C3C2=O)cc1,LLXYBIXUTMSJCY-UHFFFAOYSA-N
-rxn:4:221975:223007,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,RTSGKQUNJMRYIP-UHFFFAOYSA-N
-rxn:4:221975:223030,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)OC(C)C)c6)cc5)no4)C3C2=O)cc1,CJXVPRJPLUMVFV-UHFFFAOYSA-N
-rxn:4:221975:223685,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c(OCc7cccnc7)c6)cc5)no4)C3C2=O)cc1,DYLPXTKJSAOLCA-UHFFFAOYSA-N
-rxn:4:221975:223996,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,QKYXFBHHDXPRSK-UHFFFAOYSA-N
-rxn:4:221975:224590,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,NXVZZRYYNRSJCD-UHFFFAOYSA-N
-rxn:4:221975:224633,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCOCC7)ccc6OC)cc5)no4)C3C2=O)cc1,VSMQYVBMYOFVII-UHFFFAOYSA-N
-rxn:4:221975:224672,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,JYGSZSUSPIPDMW-UHFFFAOYSA-N
-rxn:4:221975:224680,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,HZKGYHZKDAPXGW-UHFFFAOYSA-N
-rxn:4:221975:224743,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(C(=O)OC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,SNOHJTIJZRPKOY-UHFFFAOYSA-N
-rxn:4:221975:224759,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,XWQKDIWVDCNNGW-UHFFFAOYSA-N
-rxn:4:221975:224802,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(OC)OC)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,DSWIJYFSANOCKO-UHFFFAOYSA-N
-rxn:4:221975:224820,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,DDEZBHVVVOJDTI-UHFFFAOYSA-N
-rxn:4:221975:224874,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,CDFNFINLZAZTKR-UHFFFAOYSA-N
-rxn:4:221975:224883,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,QTOPVEAOFQIMFJ-UHFFFAOYSA-N
-rxn:4:221975:224941,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,FSMSOYDFDIQFKQ-UHFFFAOYSA-N
-rxn:4:221975:225010,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(CN7CCCCC7)c6)cc5)no4)C3C2=O)cc1,VFIQDMFHLMTJFW-UHFFFAOYSA-N
-rxn:4:221975:225165,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(OC)c6)cc5)no4)C3C2=O)cc1,WHANTMYEVBMDFR-UHFFFAOYSA-N
-rxn:4:221975:225268,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,ZKBLNIAIGUIRCV-UHFFFAOYSA-N
-rxn:4:221975:225333,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COCC(F)(F)F)c(F)c6)cc5)no4)C3C2=O)cc1,YSIXTTXKBJZNSN-UHFFFAOYSA-N
-rxn:4:221975:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,MZDFPYNSDAWYTK-UHFFFAOYSA-N
-rxn:4:221975:225538,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC(C)C)c6C#N)cc5)no4)C3C2=O)cc1,HSRGXLMLMIVTKN-UHFFFAOYSA-N
-rxn:4:221975:225559,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCOC7)cc6)cc5)no4)C3C2=O)cc1,GCJKZLSZZDXOFZ-UHFFFAOYSA-N
-rxn:4:221975:225731,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(OC)c1,MGMHJTGLRDLVQS-UHFFFAOYSA-N
-rxn:4:221975:225760,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)c1,FJJOICPDTJSSBH-UHFFFAOYSA-N
-rxn:4:221975:225772,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)c(OC)c(OC(C)C)c6)cc5)no4)C3C2=O)cc1,NOYGWPXIXVEMTQ-UHFFFAOYSA-N
-rxn:4:221975:225894,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,MDCGEFWZXOQDSV-UHFFFAOYSA-N
-rxn:4:221975:225897,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COCC(F)(F)F)cc5)no4)C3C2=O)cc1,XONLYKLCDGKGTM-UHFFFAOYSA-N
-rxn:4:221975:225904,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)OC)ccc6F)cc5)no4)C3C2=O)cc1,DXMPWJUQVNJKSS-UHFFFAOYSA-N
-rxn:4:221982:222780,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1,NSAJAMGTZSOVBR-UHFFFAOYSA-N
-rxn:4:221982:222845,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCNCC7)cc6)cc5)no4)C3C2=O)cc1,HWJWPBAZGWZVPY-UHFFFAOYSA-N
-rxn:4:221982:222852,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,XAFZBDZMEDAJEZ-UHFFFAOYSA-N
-rxn:4:221982:222957,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,ZNWXZMKDCFZQSJ-UHFFFAOYSA-N
-rxn:4:221982:222973,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,RHMCBWKXFAHGTR-UHFFFAOYSA-N
-rxn:4:221982:223064,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)nc6F)cc5)no4)C3C2=O)cc1,CVRVNMHWIJJKCE-UHFFFAOYSA-N
-rxn:4:221982:223101,CNS(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1OC,DTHYVVRLVGJNPF-UHFFFAOYSA-N
-rxn:4:221982:223156,CCNC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,FITUFQUXMKKYPX-UHFFFAOYSA-N
-rxn:4:221982:223165,CC(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(Cl)c1C,YTIASJOUJSJABR-UHFFFAOYSA-N
-rxn:4:221982:223184,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCNCC7)nc6)cc5)no4)C3C2=O)cc1,QPYBMSOZICHMFV-UHFFFAOYSA-N
-rxn:4:221982:223954,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(=O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,IAPWIMLDUFTONT-UHFFFAOYSA-N
-rxn:4:221982:224273,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7ncccc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,ALAQLCBERMUMOD-UHFFFAOYSA-N
-rxn:4:221982:224952,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,STAOCOLSXSEEMW-UHFFFAOYSA-N
-rxn:4:221982:225008,COC1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2)CC1,VQQWPLFIODERPC-UHFFFAOYSA-N
-rxn:4:221982:225301,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC7CCOCC7)ncc6F)cc5)no4)C3C2=O)cc1,PLRSTVLFWGSSFM-UHFFFAOYSA-N
-rxn:4:221982:225319,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,HXLMCAHYNVKXQV-UHFFFAOYSA-N
-rxn:4:221982:225379,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,NOJWAQFVBRHOKD-UHFFFAOYSA-N
-rxn:4:221982:225587,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,SIYITVHHYRKTET-UHFFFAOYSA-N
-rxn:4:221982:225656,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1,IGOHKYBNBNJMSX-UHFFFAOYSA-N
-rxn:4:221982:225943,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)s6)cc5)no4)C3C2=O)cc1,IFEYICYKIPCKNU-UHFFFAOYSA-N
-rxn:4:221982:225945,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C#CC(F)(F)F)c(F)c6)cc5)no4)C3C2=O)cc1,HKYDISJSIXASQH-UHFFFAOYSA-N
-rxn:4:221982:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,BVHPJULEHMZYHG-UHFFFAOYSA-N
-rxn:4:221982:226012,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1,BRJKPUIQIGQLIN-UHFFFAOYSA-N
-rxn:4:221982:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,UFMYTUWIFPRZHW-UHFFFAOYSA-N
-rxn:4:221982:226181,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7=CCCCC7)nc6)cc5)no4)C3C2=O)cc1,WMXGYZWREKHRIT-UHFFFAOYSA-N
-rxn:4:221982:226270,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C=C(C#N)C#N)c6)cc5)no4)C3C2=O)cc1,KBHZKYQXBGRIEE-UHFFFAOYSA-N
-rxn:4:221982:226328,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(C)C#N)c(F)c6)cc5)no4)C3C2=O)cc1,BLMCDPNPXFODMZ-UHFFFAOYSA-N
-rxn:4:221982:226450,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C)OCCO7)c6)cc5)no4)C3C2=O)cc1,NBXGKWIEMGWCCW-UHFFFAOYSA-N
-rxn:4:221982:226643,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,UWROLYUDBRZJLP-UHFFFAOYSA-N
-rxn:4:221982:226729,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCOC7)nc6)cc5)no4)C3C2=O)cc1,KRQPCNBYWYUORJ-UHFFFAOYSA-N
-rxn:4:221982:226753,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,AQWSQQKLJDJLAU-UHFFFAOYSA-N
-rxn:4:221982:227804,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc([N+](=O)[O-])sc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,BMFWJSRRSVDYGR-UHFFFAOYSA-N
-rxn:4:221994:225975,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCOCC6)c5Cl)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BGFYOYHSFFYMJF-UHFFFAOYSA-N
-rxn:4:222015:223812,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)ncn1,SMDFGCQQWYBORJ-UHFFFAOYSA-N
-rxn:4:222062:222946,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5O)nc4Cl)cc3)CC2)n1,QSGAPBLLUQRWQV-UHFFFAOYSA-N
-rxn:4:222062:223140,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,SOVWGIMRRLAWIH-UHFFFAOYSA-N
-rxn:4:222089:222629,CC(C)(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,WGIWOOCOUXEGBL-UHFFFAOYSA-N
-rxn:4:222089:222693,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GHPCUGPXTVIWAF-UHFFFAOYSA-N
-rxn:4:222089:222701,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YTPJDYYJCIFNLP-UHFFFAOYSA-N
-rxn:4:222089:222719,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCCNC6)nc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,DJMRUORFBRSONU-UHFFFAOYSA-N
-rxn:4:222089:222803,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CCNC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,WGHKZUFXFGYMRY-UHFFFAOYSA-N
-rxn:4:222089:222806,CCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,AYWZYQOWXAFZKU-UHFFFAOYSA-N
-rxn:4:222089:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,CBXAHTMLCQBJOL-UHFFFAOYSA-N
-rxn:4:222089:222819,O=C(Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cn1)N1CCOCC1,UMSQQIWEFIVDBT-UHFFFAOYSA-N
-rxn:4:222089:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1,DFMUPELHJHBQOI-UHFFFAOYSA-N
-rxn:4:222089:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,QCGIUYPRORUTFO-UHFFFAOYSA-N
-rxn:4:222089:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)s1,FHMPTBQNRYMGBS-UHFFFAOYSA-N
-rxn:4:222089:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,IRXKXTRUOWAEPO-UHFFFAOYSA-N
-rxn:4:222089:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)cc2C)CC1,QMJNGYXFGSWBSX-UHFFFAOYSA-N
-rxn:4:222089:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,ZCPOEBNOAMQGSS-UHFFFAOYSA-N
-rxn:4:222089:223945,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,QZJMEWJDCYYBAJ-UHFFFAOYSA-N
-rxn:4:222089:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc2F)CC1,KGVGFFOEUJZWQB-UHFFFAOYSA-N
-rxn:4:222089:223970,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,BIQREYZXEQBBNX-UHFFFAOYSA-N
-rxn:4:222089:224087,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCCN6CCCCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,VFBUAKOLZDMKBO-UHFFFAOYSA-N
-rxn:4:222089:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,ITKXMKJIXDRYCH-UHFFFAOYSA-N
-rxn:4:222089:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OC,YTVHPLYFOPHOEV-UHFFFAOYSA-N
-rxn:4:222089:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)cc1C,BAHIZSWVZLLESY-UHFFFAOYSA-N
-rxn:4:222089:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,IMTBTOINTOJTTI-UHFFFAOYSA-N
-rxn:4:222089:224584,CC1CCN(C(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,CJNVEDPRAVDHOB-UHFFFAOYSA-N
-rxn:4:222089:224689,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1)N1CCCCC1,DXYHEODPIWGZSF-UHFFFAOYSA-N
-rxn:4:222089:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,IYXCWDKYLPZLMH-UHFFFAOYSA-N
-rxn:4:222089:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VXURNRJPGZLCBT-UHFFFAOYSA-N
-rxn:4:222089:224826,CCOC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cnc1C(F)(F)F,OLVHXBVGVBYGMF-UHFFFAOYSA-N
-rxn:4:222089:224829,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1OC(F)(F)F,FQDJJPDNZUVWSC-UHFFFAOYSA-N
-rxn:4:222089:224937,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,FIRQIEJSUWWAMW-UHFFFAOYSA-N
-rxn:4:222089:224999,CC(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCOCC1,OITBSNGVYCRNGG-UHFFFAOYSA-N
-rxn:4:222089:225163,O=C(c1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1)N1CCOCC1,FPRKDQIDFIKRIE-UHFFFAOYSA-N
-rxn:4:222089:225178,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCOCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FRWFMEUWWSXOKP-UHFFFAOYSA-N
-rxn:4:222089:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,RKZOVNNXLMPDMM-UHFFFAOYSA-N
-rxn:4:222089:225204,Cc1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)cc1C1CC1,BRMXRPXTJYPXHQ-UHFFFAOYSA-N
-rxn:4:222089:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,UPTZPPYLDHCRRU-UHFFFAOYSA-N
-rxn:4:222089:225336,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(COCC(F)(F)F)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CXBVYPRWWRRHHL-UHFFFAOYSA-N
-rxn:4:222089:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,QRKRAVZOPDHJAR-UHFFFAOYSA-N
-rxn:4:222089:225384,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OC(F)(F)F)c([N+](=O)[O-])c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KWZLIFGRNHUSJS-UHFFFAOYSA-N
-rxn:4:222108:223010,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(O)CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,UIWBLTABVATVSZ-UHFFFAOYSA-N
-rxn:4:222138:224659,CN1CCN(C(=O)c2cccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c2)CC1,UDWHVLDZDNXRPY-UHFFFAOYSA-N
-rxn:4:222189:224325,Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)o4)CC3)nn12,BWLRXUUPFQVKCQ-UHFFFAOYSA-N
-rxn:4:222337:222824,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cn3)CC2)n1,QPAMNVYRMSSSFE-UHFFFAOYSA-N
-rxn:4:222387:223534,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cn5)CCO4)c3n2)cn1,ISOWJWMCDYEDPU-UHFFFAOYSA-N
-rxn:4:222387:223660,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cn5)CCO4)c3n2)cn1,QEZVEQPANSOAKT-UHFFFAOYSA-N
-rxn:4:222387:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2F)CC1,XZNFGODHKGNMSR-UHFFFAOYSA-N
-rxn:4:222389:178594,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NOQIEFUFPIFWHZ-UHFFFAOYSA-N
-rxn:4:222389:188681,NS(=O)(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OC(F)(F)F,PBHBTIHOSLHTJW-UHFFFAOYSA-N
-rxn:4:222541:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)NCCN2CCCCC2)cc1,OUKCTXKKXDGLLJ-UHFFFAOYSA-N
-rxn:4:222611:194649,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,ROKLQXNEDUONGW-UHFFFAOYSA-N
-rxn:4:222693:204735,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c3ccccc23)CC1,RJKIZSREJUEILE-UHFFFAOYSA-N
-rxn:4:222851:194750,CCc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)n1,QWYZDRSAFJXEPB-UHFFFAOYSA-N
-rxn:4:222852:214855,OC1CCN(Cc2cccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)c2)CC1,DPBSQZJMTYITIA-UHFFFAOYSA-N
-rxn:4:222880:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)c12)(C(C)C)C(C)C,RSROYZZKAIEETE-UHFFFAOYSA-N
-rxn:4:222971:199999,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2ccn1C(=O)OC(C)(C)C,MGKVSMRJGKTGQT-UHFFFAOYSA-N
-rxn:4:223062:178384,Fc1cc(C2CCNCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,AMIMYVQIWYXCQH-UHFFFAOYSA-N
-rxn:4:223080:213836,CC(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,BIQKRQZSJYFFGF-UHFFFAOYSA-N
-rxn:4:223092:207081,CN(C)S(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,XJVLQWWOGGGOMG-UHFFFAOYSA-N
-rxn:4:223093:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)C2CCS(=O)(=O)C2)cc1,SRBZCOUUTFTOLF-UHFFFAOYSA-N
-rxn:4:223490:188681,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QTHFBOXBCAKFRA-UHFFFAOYSA-N
-rxn:4:223570:199553,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(COc4cnn(C(=O)OC(C)(C)C)c4)cc3)c(F)ncc21,HKZZDWKVGZHEEG-UHFFFAOYSA-N
-rxn:4:223570:204683,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)c(F)ncc21,WHBJZBNHGJRUCO-UHFFFAOYSA-N
-rxn:4:223581:178327,COC(=O)c1cccc2cc(-c3ccc(C4(C(=O)OC)CCCCC4)cc3)n(C(=O)OC(C)(C)C)c12,ABCYIVCIZUSLLL-UHFFFAOYSA-N
-rxn:4:223650:187970,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21,PFRJXWBYGBZOBT-UHFFFAOYSA-N
-rxn:4:223651:188681,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1,JIUDXFLBJWXTLM-UHFFFAOYSA-N
-rxn:4:223671:209700,CC1(C)COC(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)=N1,HRVIOLHFGGJDNM-UHFFFAOYSA-N
-rxn:5:176854:226051:225934,COC(=O)c1cc(OC)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2c(OC(F)(F)F)ccc(F)c2F)c1,BLSLXUNOJAVJJW-UHFFFAOYSA-N
-rxn:5:177181:225976:225784,CC(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1,WHZNBMINNUEWDP-UHFFFAOYSA-N
-rxn:5:177184:223065:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,RAJJZCXGUFTRHI-UHFFFAOYSA-N
-rxn:5:177189:222987:223065,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,YJIVRCVBZWYTIQ-UHFFFAOYSA-N
-rxn:5:177190:222958:226330,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(-c2ccc(C)c(C3CCNCC3)c2)c1,RZEMDVJCZLKNCH-UHFFFAOYSA-N
-rxn:5:177190:222990:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)cc2)c1,BUNUWPKPCANZRF-UHFFFAOYSA-N
-rxn:5:177190:222994:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccc(N3CCC(O)CC3)c2)c1,QGFWCYULFMKAAX-UHFFFAOYSA-N
-rxn:5:177190:222994:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,BYLJNYKXKDSDQW-UHFFFAOYSA-N
-rxn:5:177190:223054:225623,CCS(=O)(=O)Cc1ccc(-c2cccc(OC3CCOCC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,ZEXMSTQLEAGBCS-UHFFFAOYSA-N
-rxn:5:177190:223054:226649,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,COIKUSIPIQPWDH-UHFFFAOYSA-N
-rxn:5:177190:225462:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCC(C)CC3)c2)c1,NUULPNXOWHIQEM-UHFFFAOYSA-N
-rxn:5:177190:225636:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,DWTQIRJHDBCQJX-UHFFFAOYSA-N
-rxn:5:177190:225652:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cncc(N3CCCC(C)C3)c2)c1,PGFRTNKEMNGTQP-UHFFFAOYSA-N
-rxn:5:177190:225805:223139,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,BAGLSJFKPWKWGC-UHFFFAOYSA-N
-rxn:5:177191:225499:222404,O=C1NC(=O)C(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCCCC5)cc4F)c3)cc2)N1,BRTZZVHEDLJPNC-UHFFFAOYSA-N
-rxn:5:177191:225601:222996,N#CC1(c2ccc(-c3cc(-c4ccc(F)cc4C4CCCNC4)ccc3CC(=O)C3CC3)c(F)c2)CCC1,YOBWUBDZBMERSX-UHFFFAOYSA-N
-rxn:5:177191:225982:225654,CC1CCCN(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cnc(N5CCOCC5)cc4F)c3)cn2)C1,LYWCLJIVYZDZMQ-UHFFFAOYSA-N
-rxn:5:177450:225805:227803,CC(c1ccc(-c2ccc(-c3ccnn3S(=O)(=O)N(C)C)c(OCC3CCC3)c2)s1)N1CCOCC1,RWZJZJLZUOUAAC-UHFFFAOYSA-N
-rxn:5:177729:223018:226085,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1-c1ccc2c(c1)CCC(C)(C)O2,UEXKXDKXASRVOK-UHFFFAOYSA-N
-rxn:5:177729:223054:223131,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCNCC4)cc3)c2)s1)N1CCC(O)C1,IBDLPFMSDRJPBV-UHFFFAOYSA-N
-rxn:5:177730:223132:223054,CC(c1ccc(-c2ccc(-c3cccc(N4CCNCC4)c3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,DWKIVINRDYTQPF-UHFFFAOYSA-N
-rxn:5:177730:226149:225871,COc1ccc(-c2ccc(-c3cccc(N4C(=O)C=CC4=O)c3)c(C(=O)OC(C)(C)C)c2)cc1C(C)(C)C,QKKNOMSZCMGBID-UHFFFAOYSA-N
-rxn:5:177732:225631:223061,CN1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3cc(C4CCNCC4)ncc3F)cc2)CC1,CLGGQQVTDRMKJI-UHFFFAOYSA-N
-rxn:5:177734:223138:225631,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)cc2)cc1C(=O)OC(C)C,JGKZHTYRHYIHAI-UHFFFAOYSA-N
-rxn:5:177734:225871:226149,COc1ccc(-c2cc(C(=O)OC(C)C)c(C)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(C)(C)C,SKIKTAHHNYASTJ-UHFFFAOYSA-N
-rxn:5:177736:225439:226649,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)c1)N1CCCC1,CGYHFTFIEIFYFJ-UHFFFAOYSA-N
-rxn:5:177736:226330:223064,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCCC1,MVKNIECMHXEEKQ-UHFFFAOYSA-N
-rxn:5:177737:223061:225439,CC(c1cccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,HCKICSFCKWWCCR-UHFFFAOYSA-N
-rxn:5:177737:225439:223002,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,WODKPMTUUVQTBL-UHFFFAOYSA-N
-rxn:5:177739:226794:225976,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,WGYWBAHELCFUPW-UHFFFAOYSA-N
-rxn:5:177850:223294:226731,CCOc1ccc(-c2csc(N3CCNCC3)n2)c(C2OCCO2)c1-c1ccccc1S(=O)(=O)N(C)C,PFHVFZURYBFRED-UHFFFAOYSA-N
-rxn:5:177850:225797:227804,CCOc1ccc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C2OCCO2)c1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],RUXACNZBZOFKOT-UHFFFAOYSA-N
-rxn:5:177891:223135:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cccnc1C1CCCNC1,UZZWMAUUSQHXSR-UHFFFAOYSA-N
-rxn:5:177891:223148:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccccc1C1CNCCO1,ZZXWGFZBGJUGPD-UHFFFAOYSA-N
-rxn:5:177891:223285:226366,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(N2CCCCC2)c1,FGQMJSZNKGQFQD-UHFFFAOYSA-N
-rxn:5:177891:223295:227437,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCO3)c2)c1,RKQYYDJBJRPXRT-UHFFFAOYSA-N
-rxn:5:177891:225784:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,FNPUWGCXIUUNEA-UHFFFAOYSA-N
-rxn:5:177891:225784:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,IRRGKJSDRSRCCD-UHFFFAOYSA-N
-rxn:5:177891:225805:228705,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2N(C)C)s1)N1CCOCC1,UYQFHGKFJDWSLR-UHFFFAOYSA-N
-rxn:5:177891:225987:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(N2CCCS2(=O)=O)cc1,WPCFJYVMIGASAU-UHFFFAOYSA-N
-rxn:5:177891:226181:227501,O=C(SC1CS(=O)(=O)CC1c1ccc(C=C[N+](=O)[O-])cc1)c1ccccc1-c1ccc(C2=CCCCC2)nc1,SNZYUTPKKGVSSV-UHFFFAOYSA-N
-rxn:5:177891:226586:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnc(OC2CCOC2)c1,RHOAXYAJIDMJSU-UHFFFAOYSA-N
-rxn:5:177891:226645:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccnc(N2CCOCC2)c1,UNAKXRVZMILRQD-UHFFFAOYSA-N
-rxn:5:177891:226649:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cccnc1N1CCOCC1,YKZCHFXEROOING-UHFFFAOYSA-N
-rxn:5:177891:227379:223285,CS(=O)(=O)Nc1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1N1CCCC1,NGDPRMXCTOVWNW-UHFFFAOYSA-N
-rxn:5:177891:227437:225456,CN1CCC(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCO4)c3)cc2)CC1,MGNIGQFPMWXUKD-UHFFFAOYSA-N
-rxn:5:177891:227654:226427,CC1CCN(c2csc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)c2)CC1,SHJJDNCRXGOFAB-UHFFFAOYSA-N
-rxn:5:177891:227657:227613,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,OBRNDOVNXCEZCS-UHFFFAOYSA-N
-rxn:5:177891:227657:228878,O=C(SC1CS(=O)(=O)CC1c1cnn(C2COC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,BVDONKWZZXLRBO-UHFFFAOYSA-N
-rxn:5:177891:228002:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2sccc2C2CCCC2)OCCO1,SDFKCKCCEDFHAI-UHFFFAOYSA-N
-rxn:5:177891:228210:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(N2CCCC2)s1,YCKGIGHRIJOMQG-UHFFFAOYSA-N
-rxn:5:177891:228623:226450,CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3sccc3C3CCC3)c2)OCCO1,SWZBHOOFTHSNBF-UHFFFAOYSA-N
-rxn:5:177891:228628:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1cc(C2CCC2)cs1,UYDMBOAKFJYCKV-UHFFFAOYSA-N
-rxn:5:178118:223294:226027,CN(C)S(=O)(=O)c1cc(-c2ccc(-c3csc(N4CCNCC4)n3)c(OCC3CCCCO3)c2)ccc1F,TZFRNRSFVCDVQS-UHFFFAOYSA-N
-rxn:5:178118:226464:225671,COc1ccc2c(c1-c1ccc(-c3cc(C4CCCCC4)ncc3F)cc1OCC1CCCCO1)OCCO2,RKUMDDOYLSUCBK-UHFFFAOYSA-N
-rxn:5:178122:225437:226907,c1cc(CN2CCCCC2)cc(-c2ccc(COC3CCCCO3)c(-c3cccc4c3CCC43CC3)c2)c1,SBOHJDLZBJSMHL-UHFFFAOYSA-N
-rxn:5:178224:225595:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(F)c(CN4CCCC4)c3)c2)c([N+](=O)[O-])s1,DAOKLCZSHMXVRP-UHFFFAOYSA-N
-rxn:5:178225:225831:227507,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2cccc(C=C[N+](=O)[O-])c2)cnc1N1CCOCC1,GLLPYISCQBTBPC-UHFFFAOYSA-N
-rxn:5:178226:226898:227769,COc1ncc([N+](=O)[O-])cc1-c1cccc(OCC2CCCCC2)c1-c1cn(S(=O)(=O)N(C)C)nc1C,FTBBSQKSWVCBIB-UHFFFAOYSA-N
-rxn:5:178295:223138:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccnc(C3CCNCC3)c2)CCC(=O)CC1,PTBBURLPZCLEDB-UHFFFAOYSA-N
-rxn:5:178295:223192:229169,CNS(=O)(=O)c1cc(-c2ccc(-c3cscc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,CGXOYMKGCMWWAT-UHFFFAOYSA-N
-rxn:5:178295:223270:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,GFYZWPODAKVMPG-UHFFFAOYSA-N
-rxn:5:178295:223270:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,DNIQXOHBOZRWLT-UHFFFAOYSA-N
-rxn:5:178295:223270:228242,COC(=O)C1(c2cc(-c3cc(C)c(F)cc3OC)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,DHZABQUQIDVLHW-UHFFFAOYSA-N
-rxn:5:178295:223285:227087,COC(=O)C1(c2cc(-c3cc(C)cnc3C(C)(C)C)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,AKIFIDDDCZCBHS-UHFFFAOYSA-N
-rxn:5:178295:223286:227910,CCC(C)c1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ITHLTPDWPRISIO-UHFFFAOYSA-N
-rxn:5:178295:223287:227823,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ONHKNPDCEBUVTK-UHFFFAOYSA-N
-rxn:5:178295:223295:227817,COC(=O)C1(c2cc(-c3ccccc3CC(C)C)ccc2-c2cncc(NS(C)(=O)=O)c2)CCC(=O)CC1,PAOWDVQHRWYJBR-UHFFFAOYSA-N
-rxn:5:178295:223400:226058,CNCc1cccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PNAHSSDWZAOAJF-UHFFFAOYSA-N
-rxn:5:178295:223421:223018,CNC(C)c1ccc(-c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)s1,PXVGOQATDZCGAY-UHFFFAOYSA-N
-rxn:5:178295:225417:226212,CCOc1ccc2ccccc2c1-c1ccc(-c2ccc3c(c2)CCC3=NOC)cc1C1(C(=O)OC)CCC(=O)CC1,AMKIILPEXWBGTR-UHFFFAOYSA-N
-rxn:5:178295:225439:228562,CCC(C)c1csc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OMQAWCCLEIZQPT-UHFFFAOYSA-N
-rxn:5:178295:225440:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)CCC(=O)CC1,ZTHNTKFXHZRXKK-UHFFFAOYSA-N
-rxn:5:178295:226059:228551,CCCc1ncccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,KKUSWOXNMORXBT-UHFFFAOYSA-N
-rxn:5:178295:226062:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,YJPSVVYPCNJHNA-UHFFFAOYSA-N
-rxn:5:178295:226068:228615,COC(=O)C1(c2cc(-c3cc(C)ccc3SC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,XGPNVTBWPXYKNE-UHFFFAOYSA-N
-rxn:5:178295:226068:228636,COC(=O)C1(c2cc(-c3c(C)cc(F)cc3C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,GQSJQVYSZVIIPW-UHFFFAOYSA-N
-rxn:5:178295:226079:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cc3cc(C(C)C)ccc3s2)CCC(=O)CC1,MNDIQSWBJZMPQH-UHFFFAOYSA-N
-rxn:5:178295:226082:225515,COC(=O)C1(c2cc(-c3cccc4c3OCC(C)(C)CO4)ccc2-c2ccc3ccc(OC)cc3c2)CCC(=O)CC1,KVFGJAPXCPPDCA-UHFFFAOYSA-N
-rxn:5:178295:226085:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(C2(C(=O)OC)CCC(=O)CC2)c1,YDAFUNBXZZZKAP-UHFFFAOYSA-N
-rxn:5:178295:226140:228562,CCC(C)c1csc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HGPQWFMPSCNFBJ-UHFFFAOYSA-N
-rxn:5:178295:226144:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,SLEHIRQJUNVGDZ-UHFFFAOYSA-N
-rxn:5:178295:226154:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,GFUZDZVSXVKZQJ-UHFFFAOYSA-N
-rxn:5:178295:226154:229169,COC(=O)C1(c2cc(-c3cscc3C(F)F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,NSPAYCQGCGBHPA-UHFFFAOYSA-N
-rxn:5:178295:226185:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C4CCOCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,KMYBASOSNVCWDO-UHFFFAOYSA-N
-rxn:5:178295:226200:226350,COC(=O)c1c(C)ccc(-c2ccc(-c3ccc4c(c3)ncn4C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1C,CIHZKVTZEUKADF-UHFFFAOYSA-N
-rxn:5:178295:226201:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3nn(C(C)C)cc3c2)CCC(=O)CC1,WEBAEUSHTWMHJV-UHFFFAOYSA-N
-rxn:5:178295:226215:227935,CCc1cc(-c2ccc(-c3ccc4c(c3)CC/C4=N\OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,AVPQXWWIIDICLO-VBMGMRCRSA-N
-rxn:5:178295:226322:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,GTGNJQHYTXTEOA-UHFFFAOYSA-N
-rxn:5:178295:226322:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,QEQSMRIPMFKFJJ-UHFFFAOYSA-N
-rxn:5:178295:226322:228767,CCc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,ADFKZSVXEGFRRI-UHFFFAOYSA-N
-rxn:5:178295:226334:228507,CCCc1cccc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YDLJFVKWPGEHKP-UHFFFAOYSA-N
-rxn:5:178295:226582:223360,CNCc1cccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,VTBILJZEUGSLOA-UHFFFAOYSA-N
-rxn:5:178295:226582:227831,CCc1c(C)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,IHTDYOYUZYUFBC-UHFFFAOYSA-N
-rxn:5:178295:226589:228529,COC(=O)C1(c2cc(-c3ccc4c(c3)CCO4)ccc2-c2cc(C(F)F)ncc2C(C)C)CCC(=O)CC1,HARNYMMHHYWGTK-UHFFFAOYSA-N
-rxn:5:178295:226769:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KTSRLWLDAUKFDB-UHFFFAOYSA-N
-rxn:5:178295:226769:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JYEJNBZVBCLNMK-UHFFFAOYSA-N
-rxn:5:178295:226772:228506,CCCc1ccccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NHTBYPUKZKYWES-UHFFFAOYSA-N
-rxn:5:178295:226910:227892,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(CN(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,CBPWOAKORFYSRW-UHFFFAOYSA-N
-rxn:5:178295:226910:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IHQCEBFSTFVRJL-UHFFFAOYSA-N
-rxn:5:178295:226910:228563,CCC(C)(C)c1ccc(-c2ccc(-c3cc(CC(C)C)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,JIAKHYKIBGQACG-UHFFFAOYSA-N
-rxn:5:178295:226914:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(CC(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,HOZKFJMQWIDLFH-UHFFFAOYSA-N
-rxn:5:178295:226918:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SSRICBWDWKVHIN-UHFFFAOYSA-N
-rxn:5:178295:226920:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,BDUQDYQFVHVYQC-UHFFFAOYSA-N
-rxn:5:178295:226920:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,GPCBMLBBSPLOEO-UHFFFAOYSA-N
-rxn:5:178295:226924:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)cc(C3CC3)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,VRDCJVKQYOGOBD-UHFFFAOYSA-N
-rxn:5:178295:226959:227925,COC(=O)C1(c2cc(-c3cccc(OC(C)C)c3)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,DAUKCTLQHDEYNB-UHFFFAOYSA-N
-rxn:5:178295:226968:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,GMCFDJBARJHHIN-UHFFFAOYSA-N
-rxn:5:178295:226971:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,MFARVVLCRDIBAW-UHFFFAOYSA-N
-rxn:5:178295:226974:227077,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)COC4(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ZHUBRZKMRBZZDB-UHFFFAOYSA-N
-rxn:5:178295:226974:227914,COC(=O)C1(c2cc(-c3ccccc3OC(C)C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,BZMXUJMNKKGTKN-UHFFFAOYSA-N
-rxn:5:178295:226980:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cccc3c2C(=O)CCC3)CCC(=O)CC1,OKPXMBRNFMOJRN-UHFFFAOYSA-N
-rxn:5:178295:227021:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C4(C#N)CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PCBMKHSBEQZWOT-UHFFFAOYSA-N
-rxn:5:178295:227023:227946,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3)ccc2-c2ccc(C(C)N(C)C)cc2)CCC(=O)CC1,VKTPUFHJCIFXJR-UHFFFAOYSA-N
-rxn:5:178295:227028:227906,CCC(C)c1ncccc1-c1ccc(-c2cccc(C3(C#N)CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,LDSSVMBZOHIKQZ-UHFFFAOYSA-N
-rxn:5:178295:227038:227913,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,FDXBXEDTEMLOKE-UHFFFAOYSA-N
-rxn:5:178295:227065:228562,CCC(C)c1csc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WVQSGHRINIFOJX-UHFFFAOYSA-N
-rxn:5:178295:227065:228704,CCn1nc(C)c(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1C,XQIGASIEFSZKKK-UHFFFAOYSA-N
-rxn:5:178295:227069:228395,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3OC)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,VUMSJBKVVHYHNT-UHFFFAOYSA-N
-rxn:5:178295:227069:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,NZLOETCQRYZURG-UHFFFAOYSA-N
-rxn:5:178295:227071:227837,COCc1cc(C)c(-c2ccc(-c3cc(C)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,IVSWWELSNUJZTD-UHFFFAOYSA-N
-rxn:5:178295:227071:227926,COCc1cc(C)c(-c2ccc(-c3ccc(SC(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,AKWNNLLEVIMJJH-UHFFFAOYSA-N
-rxn:5:178295:227073:227077,CCC(C)c1ccc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,NFJOGPFPYPKVKD-UHFFFAOYSA-N
-rxn:5:178295:227079:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,LTYICJJSRMUBMX-UHFFFAOYSA-N
-rxn:5:178295:227124:227892,COC(=O)C1(c2cc(-c3ccc(CN(C)C)cc3)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,OGXMRKSYQPAIMI-UHFFFAOYSA-N
-rxn:5:178295:227187:227977,COC(=O)C1(c2cc(-c3cc(C)c(OC)cc3C)ccc2-c2cccc3c2CN(C)C3=O)CCC(=O)CC1,OCQFDPHLSWJFRO-UHFFFAOYSA-N
-rxn:5:178295:227206:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,PWQXYSBACCGSIO-UHFFFAOYSA-N
-rxn:5:178295:227286:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,SRUDYNJEMMJTEX-UHFFFAOYSA-N
-rxn:5:178295:227298:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(F)ccc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AWWSGLGPRSEBRW-UHFFFAOYSA-N
-rxn:5:178295:227304:227817,COC(=O)C1(c2cc(-c3ccccc3CC(C)C)ccc2-c2cnc(OC(C)C)cc2C)CCC(=O)CC1,AUKULLCSNQYFIJ-UHFFFAOYSA-N
-rxn:5:178295:227311:227807,CCC(C)c1cc(F)c(-c2ccc(-c3cccc4c3CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,DGMULWLYSIUBCN-UHFFFAOYSA-N
-rxn:5:178295:227312:226322,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,JMKSDQRGGDKXAX-UHFFFAOYSA-N
-rxn:5:178295:227313:225453,CCC(C)c1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,BWJCLAKFJLTISU-UHFFFAOYSA-N
-rxn:5:178295:227361:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,JSDNCUGLWXPJPE-UHFFFAOYSA-N
-rxn:5:178295:227412:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2cnc(C(C)(C)C)cc2F)CCC(=O)CC1,SYFRLHHRWUTJMS-UHFFFAOYSA-N
-rxn:5:178295:227525:227124,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UXPVJXLCRFMEHY-UHFFFAOYSA-N
-rxn:5:178295:227530:228279,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,KAWDZLXKORGWNP-UHFFFAOYSA-N
-rxn:5:178295:227540:227827,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,LKKWGONUTPWOBJ-UHFFFAOYSA-N
-rxn:5:178295:227540:227832,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,DLBBDKODFMUGEB-UHFFFAOYSA-N
-rxn:5:178295:227546:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(=O)OC)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,AJBBLQAOXLHPMH-UHFFFAOYSA-N
-rxn:5:178295:227554:227071,COCc1cc(C)c(-c2ccc(-c3cccc(F)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RZDHKRCLPPSANT-UHFFFAOYSA-N
-rxn:5:178295:227561:228279,CCc1cc(F)c(-c2ccc(-c3cc(OC)c(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ARWZVHZSWGRRMG-UHFFFAOYSA-N
-rxn:5:178295:227591:228154,COC(=O)C1(c2cc(-c3c(OC)cccc3OC)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,UXLJMMWFBLJTOS-UHFFFAOYSA-N
-rxn:5:178295:227808:227536,CCOc1cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cc1F,ZWRYIVIBVBJHAT-UHFFFAOYSA-N
-rxn:5:178295:227810:226190,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,IQLJGYXJECVHGX-UHFFFAOYSA-N
-rxn:5:178295:227810:226918,CCC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,OKEOHOYYBHNYFC-UHFFFAOYSA-N
-rxn:5:178295:227810:227100,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(C4CC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,AUBDBOJPGWGOIT-UHFFFAOYSA-N
-rxn:5:178295:227811:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,FZMQZCGHTDGCRV-UHFFFAOYSA-N
-rxn:5:178295:227815:227102,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XDPWUWBXLYOCNQ-UHFFFAOYSA-N
-rxn:5:178295:227816:227039,CCCc1ccc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,APZMJPBBQFNZSD-UHFFFAOYSA-N
-rxn:5:178295:227817:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,XRWAFLBUAHEMHS-UHFFFAOYSA-N
-rxn:5:178295:227817:227696,COC(=O)c1ccc(-c2ccc(-c3ccccc3CC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XGBIDIPIPDLXBN-UHFFFAOYSA-N
-rxn:5:178295:227819:223230,CCc1cc(CC)cc(-c2ccc(-c3ccc(NC(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UEYHYINSUJFWOW-UHFFFAOYSA-N
-rxn:5:178295:227819:227115,CCc1cc(CC)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RKQMRCYREXQZTG-UHFFFAOYSA-N
-rxn:5:178295:227819:227311,CCc1cc(CC)cc(-c2ccc(-c3cnc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YTEFSCGVRPMRKN-UHFFFAOYSA-N
-rxn:5:178295:228003:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,LHJHCGDHCZBIPW-UHFFFAOYSA-N
-rxn:5:178295:228003:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,VZBHPLNRHFHCGH-UHFFFAOYSA-N
-rxn:5:178295:228003:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2c(C)cc(SC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QEWZGUMMHXAGQF-UHFFFAOYSA-N
-rxn:5:178295:228005:227072,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,AIRYDGCJIUPBEZ-UHFFFAOYSA-N
-rxn:5:178295:228018:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cc(F)cc(C3CC3)c2)CCC(=O)CC1,HKVIADOJJBVDEO-UHFFFAOYSA-N
-rxn:5:178295:228079:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,IOENDLOWPJMFQT-UHFFFAOYSA-N
-rxn:5:178295:228119:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,FIKHEOHCQDQWEQ-UHFFFAOYSA-N
-rxn:5:178295:228119:227313,CCC(C)c1cc(-c2ccc(-c3ccc(SC(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,FYSRKWCCAXNJQR-UHFFFAOYSA-N
-rxn:5:178295:228157:227050,COC(=O)C1(c2cc(-c3ccc(OC(C)C)c(C)c3)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,JXLOHVXZUSTYMA-UHFFFAOYSA-N
-rxn:5:178295:228177:226973,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)cc1C1(C(=O)OC)CCC(=O)CC1,UUMMGPPMMUQSPL-UHFFFAOYSA-N
-rxn:5:178295:228179:225514,COCc1cc(F)cc(-c2ccc(-c3cccc4c3OCC3(CC3)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CYLQTGVMQZAQLB-UHFFFAOYSA-N
-rxn:5:178295:228181:223271,COCc1cc(F)ccc1-c1ccc(-c2ccc(F)c(NC(C)=O)c2)cc1C1(C(=O)OC)CCC(=O)CC1,BGFVBCBWTWEYOE-UHFFFAOYSA-N
-rxn:5:178295:228189:227701,CCSc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SKAVREJRILVKLZ-UHFFFAOYSA-N
-rxn:5:178295:228241:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc(F)c(C(C)=O)c2)CCC(=O)CC1,IUWCTUATRXMTDH-UHFFFAOYSA-N
-rxn:5:178295:228258:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,OMETYDXLAOQXQS-UHFFFAOYSA-N
-rxn:5:178295:228268:227588,COC(=O)C1(c2cc(-c3c(OC)cc(F)cc3OC)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,ORRIOIWUGLGJLS-UHFFFAOYSA-N
-rxn:5:178295:228283:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,NBANKNFSYUHLOD-UHFFFAOYSA-N
-rxn:5:178295:228307:227051,CCC(=O)c1ccc(-c2ccc(-c3ccnc(N(C)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,MMADRYZZGARBHN-UHFFFAOYSA-N
-rxn:5:178295:228344:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(SC(F)F)cc2)CCC(=O)CC1,FNIZYLTWVUDMLL-UHFFFAOYSA-N
-rxn:5:178295:228396:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2c(F)cc(OC)cc2F)CCC(=O)CC1,DECYRFQRHXKRLN-UHFFFAOYSA-N
-rxn:5:178295:228447:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2cccc(C(F)F)c2F)CCC(=O)CC1,DOIOPMFPWJFHJI-UHFFFAOYSA-N
-rxn:5:178295:228516:226060,CCc1cc(C)cc(-c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NJMNQKZBEKRZQC-UHFFFAOYSA-N
-rxn:5:178295:228549:226341,CCCc1ccc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VTILKLCCAKYRBR-UHFFFAOYSA-N
-rxn:5:178295:228562:227209,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DWGHFLCPGYMEMO-UHFFFAOYSA-N
-rxn:5:178295:228562:227316,CCC(C)c1csc(-c2ccc(-c3cc(F)nc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WNBNYMNEFJVVMS-UHFFFAOYSA-N
-rxn:5:178295:228567:227299,CCC(C)c1sccc1-c1ccc(-c2cc(F)cc(CN(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,KJWZIMVAHBHDAZ-UHFFFAOYSA-N
-rxn:5:178295:228595:226059,CCc1ncc(C)cc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,WKYSWZUUNLLLMA-UHFFFAOYSA-N
-rxn:5:178295:228610:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccc(C(C)(C)C)s2)CCC(=O)CC1,WSZUPALJCFKAGB-UHFFFAOYSA-N
-rxn:5:178295:228713:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccn(C(C)(C)C)n2)CCC(=O)CC1,NJOGBILAGQJYGP-UHFFFAOYSA-N
-rxn:5:178295:228721:227053,COC(=O)C1(c2cc(-c3cccc(OC(C)(C)C)c3)ccc2-c2ccnn2C(C)(C)C)CCC(=O)CC1,WXZXEIIWCATDID-UHFFFAOYSA-N
-rxn:5:178295:228763:226576,CCc1c(F)cncc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,CYLLVOGOHYDJRJ-UHFFFAOYSA-N
-rxn:5:178295:228914:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccnc(F)c2OC)CCC(=O)CC1,CSFYQJCJXTUSFF-UHFFFAOYSA-N
-rxn:5:178295:229015:226149,COC(=O)C1(c2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2-c2ccsc2C(C)C)CCC(=O)CC1,UECBNSRHOYHGMD-UHFFFAOYSA-N
-rxn:5:178295:229054:226772,COCc1cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cs1,NKXHHIDXLHEYDG-UHFFFAOYSA-N
-rxn:5:178313:226739:226794,CC(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cnc(N3CCSCC3)nc2)cc1[N+](=O)[O-],GKAIDFCNLDNJKU-UHFFFAOYSA-N
-rxn:5:178315:225873:227547,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(N4CCOCC4=O)c3)c2)ccc1OC(F)F,DBAYKMYRFJMXBR-UHFFFAOYSA-N
-rxn:5:178368:225655:227085,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4CCCC4)nc3)c(C)c2)c(C)cc1-c1cncc(N2CCC(C)CC2)c1,KBKZSUKLNMBOAN-UHFFFAOYSA-N
-rxn:5:178368:226067:226382,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cnc(C4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)cc1,RUUMFZMKSAATRJ-UHFFFAOYSA-N
-rxn:5:178368:227033:222984,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(CN4CCC(O)C4)cc3)c(C)c2)c(C)cc1-c1ccc(C2CC2)c(C#N)c1,IIAGWZBNEGQAJN-UHFFFAOYSA-N
-rxn:5:178466:225976:225638,CC1CCN(c2ccc(-c3c(C(=O)OC(C)C)sc4cc(-c5ccnc(N6CCOCC6)c5F)ccc34)cn2)CC1,ODTKVFOETRIOQH-UHFFFAOYSA-N
-rxn:5:178466:225982:226661,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCN(C)CC2)cs1,GHMSRRCYSJESQI-UHFFFAOYSA-N
-rxn:5:178467:222980:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,HMJYIKWNVHHDQH-UHFFFAOYSA-N
-rxn:5:178467:222986:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,DLMTYRRFTXPHLI-UHFFFAOYSA-N
-rxn:5:178467:223012:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc4[nH]c(C(=O)OC)cc4c3)c2OC1,GNZRCDNCLIPPHA-UHFFFAOYSA-N
-rxn:5:178467:223061:228879,CCOC(=O)C1=Cc2cc(-c3ccnn3C3COC3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ZGZDZBNMUDGJPH-UHFFFAOYSA-N
-rxn:5:178467:223062:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,OBIFQJGFBIHZDV-UHFFFAOYSA-N
-rxn:5:178467:223064:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,GWAFJXJWIHWYSX-UHFFFAOYSA-N
-rxn:5:178467:223131:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,OJGMJPDROBRKJB-UHFFFAOYSA-N
-rxn:5:178467:223138:226148,CCOC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,MBYAIYISQOSYRK-UHFFFAOYSA-N
-rxn:5:178467:223140:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,ATXNDXQTFKGVRT-UHFFFAOYSA-N
-rxn:5:178467:223240:226331,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)cc3F)cc(-c3ccc(C4CCNC4)nc3)c2OC1,BQSWJZJXAVFMMN-UHFFFAOYSA-N
-rxn:5:178467:223281:222960,CCOC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,OQQKAJONZCYKCV-UHFFFAOYSA-N
-rxn:5:178467:223294:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,RUFROADNOUDTNS-UHFFFAOYSA-N
-rxn:5:178467:223340:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccc4c(c3)NCCO4)c2OC1,BNAUTDYFJIDPFW-UHFFFAOYSA-N
-rxn:5:178467:223378:222994,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCC(O)CC4)c3)cc(-c3cnc4c(c3)NCCO4)c2OC1,HSVPYVILIDKAOK-UHFFFAOYSA-N
-rxn:5:178467:225515:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,VDWVPGMTSAKSPC-UHFFFAOYSA-N
-rxn:5:178467:225652:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3cncc(N4CCCC(C)C4)c3)c2OC1,XBADSTKOHZITHO-UHFFFAOYSA-N
-rxn:5:178467:225976:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,QERLOFWKZWJYOL-UHFFFAOYSA-N
-rxn:5:178467:225980:228318,CCOC(=O)C1=Cc2cc(-c3cnccc3C(=O)OC)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,VXLSHTMOXNGDPU-UHFFFAOYSA-N
-rxn:5:178467:225982:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,WUYVMRRNZQFHQR-UHFFFAOYSA-N
-rxn:5:178467:226181:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3ccc(C4=CCCCC4)nc3)c2OC1,FXIUSAIUFQIZMW-UHFFFAOYSA-N
-rxn:5:178467:226320:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,DTTYEPBHFAJWAB-UHFFFAOYSA-N
-rxn:5:178467:226366:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,JXDGVVSNOBIMOX-UHFFFAOYSA-N
-rxn:5:178467:226679:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GCFQKXFYCGYZDT-UHFFFAOYSA-N
-rxn:5:178467:227075:226783,CCOC(=O)C1=Cc2cc(-c3c(OC)cc(F)c(F)c3OC)cc(-c3cc(OC)cc(C(C)C)c3)c2OC1,WEGSINYKPUSRKY-UHFFFAOYSA-N
-rxn:5:178467:227278:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,QYYRWHMXMRAETJ-UHFFFAOYSA-N
-rxn:5:178467:227501:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,FMUVZNPSHWDHSY-UHFFFAOYSA-N
-rxn:5:178467:227518:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,VZSCNJYTQBEMCR-UHFFFAOYSA-N
-rxn:5:178467:227546:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cccc(C(=O)OC)c3F)c2OC1,CECVIKWBHCJQQR-UHFFFAOYSA-N
-rxn:5:178467:228097:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cncc(CN(C)C)c3)c2OC1,VRYJRHAPMXJIHR-UHFFFAOYSA-N
-rxn:5:178467:228099:225978,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3cncc(N(C)CC)c3)c2OC1,ZQOQCUMZLNHGGS-UHFFFAOYSA-N
-rxn:5:178467:228103:225943,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3cnc(CC(C)C)nc3)c2OC1,ATSDZKZUPFMFFM-UHFFFAOYSA-N
-rxn:5:178467:228204:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cc(C)cc(C#N)c3F)c2OC1,WISMFEWPOIPCTL-UHFFFAOYSA-N
-rxn:5:178467:228320:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccnc(C(=O)OC)c3)c2OC1,MSLGAPAEBSULQP-UHFFFAOYSA-N
-rxn:5:179417:225805:222980,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(CN3CCNCC3)cc2)c1,LVWZYWRBIFLGHE-UHFFFAOYSA-N
-rxn:5:179629:223065:226662,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCN(C)CC2)s1,BGRWKNCOXWTBPY-UHFFFAOYSA-N
-rxn:5:179629:225833:225831,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cnc(N2CCOCC2)c(C)c1,HZQULVSZUDSGSD-UHFFFAOYSA-N
-rxn:5:179629:225833:225872,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cc(F)c(F)c(N2CCCC2)c1,LRWXROYHQOKFOC-UHFFFAOYSA-N
-rxn:5:179629:225874:225849,COc1ccc(-c2ccc(F)c(N3CCOCC3)c2)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,JRNCDNZRIQAKQM-UHFFFAOYSA-N
-rxn:5:179629:225978:225834,COc1ccc(-c2ccc(N3CCOCC3)nc2F)c(S(C)(=O)=O)c1-c1cc(N2CCCCC2)ncc1F,XOIMBNLZPWDTSM-UHFFFAOYSA-N
-rxn:5:179629:225978:225849,COc1ccc(-c2ccc(N3CCOCC3)nc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,RMXZFKWLWXSWAA-UHFFFAOYSA-N
-rxn:5:179839:225978:225849,COc1c(C(C)=O)cc(-c2cnc(N3CCCCC3)cc2F)c(C)c1-c1ccc(N2CCOCC2)nc1F,UCFUOENYOONXLV-UHFFFAOYSA-N
-rxn:5:180022:222996:227386,COc1c(-c2cnn(C3CCCCC3)c2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,RSNAKDJSAMNBFN-UHFFFAOYSA-N
-rxn:5:180022:225985:226197,COc1c(-c2ccc(C3CCCOC3)cc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,QWLRDOQDQRFMRO-UHFFFAOYSA-N
-rxn:5:180297:223004:227507,COc1cc(-c2ccc(C3CCNCC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(C=C[N+](=O)[O-])c1,PKZGMDLGBHUDTR-UHFFFAOYSA-N
-rxn:5:180377:222980:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1ccc(CN2CCNCC2)cc1,SIMRAWHDXBEEKW-UHFFFAOYSA-N
-rxn:5:180402:222421:225805,CC(c1ccc(-c2cc(-c3cncc(S(N)(=O)=O)c3)ccc2C(=O)C2CCCCC2)s1)N1CCOCC1,XSWCYZSOQCBTBA-UHFFFAOYSA-N
-rxn:5:180602:225794:227803,COC(=O)C1Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(OC4CCCCC4)nc3)c2O1,VJBODDIPDBUBAS-UHFFFAOYSA-N
-rxn:5:180602:225980:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N4CCOCC4)ncc3F)c2O1,TZZOBJKOAJCTBK-UHFFFAOYSA-N
-rxn:5:180662:223064:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,PNPXNBZMBQSMGA-UHFFFAOYSA-N
-rxn:5:180662:223295:223056,COC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cncc(NS(C)(=O)=O)c3)c2OC1,LLNJQLRHKBWEGU-UHFFFAOYSA-N
-rxn:5:180662:226144:223147,COC(=O)C1=Cc2cc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,BHCXIORXLYLBJA-UHFFFAOYSA-N
-rxn:5:181904:225439:222957,Cc1cc(-c2c(-c3cccc(C(C)N4CCCC4)c3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,NCVAGVCRVXXDIT-UHFFFAOYSA-N
-rxn:5:181906:225832:223146,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(C2CNCCO2)c1,XDCKYLHOCXUOTP-UHFFFAOYSA-N
-rxn:5:181907:222959:223002,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3CCNCC3)cc2F)c(C2OCCO2)c1,MTCRMTOBLGHFNL-UHFFFAOYSA-N
-rxn:5:181907:223007:225683,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,YXUMKDONJPQQLE-UHFFFAOYSA-N
-rxn:5:181908:223064:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,ONWGENALHRPDSE-UHFFFAOYSA-N
-rxn:5:181908:225881:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2F)cc(C2CCNCC2)c1,FUCIBKYWTSIXKR-UHFFFAOYSA-N
-rxn:5:182012:226643:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCOCC3)nc2)cc1C1CCCOC1,XRUVIRYZQDIJEX-UHFFFAOYSA-N
-rxn:5:183216:226144:223056,CC1(C)CC(=O)c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2O1,ISUAOTGNNNTISV-UHFFFAOYSA-N
-rxn:5:183227:225633:225926,CC1(C)CCOc2c(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(N4CCCCCC4)nc3)cc21,IGBFZSJGHTWFFG-UHFFFAOYSA-N
-rxn:5:183227:225655:225926,CC1CCN(c2cncc(-c3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c4c(c3)C(C)(C)CCO4)c2)CC1,SGAFBSJCZFMOHB-UHFFFAOYSA-N
-rxn:5:183227:225926:225639,CC1CCN(c2ncccc2-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCCC3(C)C)CC1,RLZHRJVEESGIIQ-UHFFFAOYSA-N
-rxn:5:188458:223010:226649,COC(=O)c1cc(-c2cccnc2N2CCOCC2)c(-c2ccc(C3(O)CCOCC3)cc2)cc1[N+](=O)[O-],GPPHBSAGLJHYSF-UHFFFAOYSA-N
-rxn:5:188462:223000:227404,COC(=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cc(N3CCCCC3)cs2)cc1[N+](=O)[O-],MRZCPUWNHMPFRE-UHFFFAOYSA-N
-rxn:5:188930:223135:227449,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C2CCOCC2)s1,MWELRCBEFXPDGZ-UHFFFAOYSA-N
-rxn:5:188930:223148:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)cc1-c1cccnc1N1CCOCC1,JAZFBSWACOMEED-UHFFFAOYSA-N
-rxn:5:188932:227702:225933,COC(=O)c1cnc(F)c(-c2cc(C(=O)OC)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2S(N)(=O)=O)c1,ZJCCXUVUJLUMJK-UHFFFAOYSA-N
-rxn:5:189207:229083:223065,CC(C)c1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)o1,DNMJMXZWOQFZIQ-UHFFFAOYSA-N
-rxn:5:189207:229091:222989,CC(=O)c1occc1-c1ccc(-c2ccc(N3CCNCC3)cc2C)c(C(=O)ON2C(=O)CCC2=O)c1,CKJWKXHVJFHWPO-UHFFFAOYSA-N
-rxn:5:189208:223240:227354,CC(C)Oc1cc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,IPGITDYXUMECOM-UHFFFAOYSA-N
-rxn:5:189210:223064:226468,CN1C(=O)COc2c(-c3cccc(-c4ccc(C5CCNCC5)nc4F)c3C(=O)ON3C(=O)CCC3=O)cccc21,LOLNBTRMSWUAOG-UHFFFAOYSA-N
-rxn:5:189210:226322:227820,Cc1cc(C(=O)N(C)C)ccc1-c1cccc(-c2ccc(C(C)(C)C)cc2)c1C(=O)ON1C(=O)CCC1=O,JLKANPCFBFZXJI-UHFFFAOYSA-N
-rxn:5:189211:227387:226911,CCc1cc(C)cc(CC)c1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccnc(N2CCCC2)c1,ATFWQKWPDUZDDZ-UHFFFAOYSA-N
-rxn:5:189211:229056:223065,CC(C)n1nccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(N2CCNCC2)cc1F,ADJSACYITDNBOK-UHFFFAOYSA-N
-rxn:5:189320:225784:225469,CC1CCCN(c2ccc(-c3ncc(C(=O)OC(C)(C)C)cc3-c3ccc(CN4CCOCC4)nc3)cc2)C1,VYYNOLKWOWHMPF-UHFFFAOYSA-N
-rxn:5:189539:226758:225798,COc1ccc(-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc(OC3CCOCC3)nc2)cc1C(F)(F)F,CWYGIGFQGBMCCI-UHFFFAOYSA-N
-rxn:5:189662:226662:227291,CN(C)Cc1ccc(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCOCC2)cc1F,FMCSSQWZUKKGEY-UHFFFAOYSA-N
-rxn:5:189669:223018:226917,Cc1cc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)(C)C)c1,LIOQQIPOXMTULP-HNSNBQBZSA-N
-rxn:5:189674:223061:227089,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(C2CCNCC2)ncc1F,FMGNEUCXFGEEAZ-IZYHBKOJSA-N
-rxn:5:189827:225980:222981,O=C(Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,ZUDNMXGJNBKRGY-UHFFFAOYSA-N
-rxn:5:189829:227684:227588,COc1cc(F)cc(OC)c1-c1cc(C(=O)N2CCCC2)cc(-c2cnn(CC3OCCO3)c2)c1OC,IALSJEOFVNLQGZ-UHFFFAOYSA-N
-rxn:5:189908:225498:227561,COc1cc(F)c(-c2ncc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCCCC2)cc1OC,RSAAEOZVBYLNQK-UHFFFAOYSA-N
-rxn:5:189910:227803:223148,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccccc2C2CNCCO2)c(CCN2CCOCC2)c1,SMJXWBIEFLEOOX-UHFFFAOYSA-N
-rxn:5:189952:226851:227365,CCOc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(OC)ncc3C(F)(F)F)c2OC)cc(C)c1F,IKZJTWIVDFEARC-UHFFFAOYSA-N
-rxn:5:190001:227375:223183,CNS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(N3CCCC3)nc2)c(C)c1,SRTSPHYZPFXRHR-UHFFFAOYSA-N
-rxn:5:190097:225925:225634,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(CCN2CCCCC2)c1,VMXWIFRTHZXFGF-UHFFFAOYSA-N
-rxn:5:190131:226582:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C(=O)N(C)C)cc2F)c1OC,UBNAUXVREASPNU-UHFFFAOYSA-N
-rxn:5:190132:223018:226058,COC1CCN(C(=O)c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2-c2c(C(C)C)cccc2C(C)C)CC1,QKVGXFSCZQSONW-UHFFFAOYSA-N
-rxn:5:190132:228104:227767,CCn1cc(-c2cc(-c3c(C#N)cccc3C#N)ccc2C(=O)N2CCC(OC)CC2)c(C(F)(F)F)n1,PINOTUWJEGLJPR-UHFFFAOYSA-N
-rxn:5:190194:227371:227103,COc1c(C)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2sccc2C2CCCCC2)c1OC,JCFMQQKOEMVELN-UHFFFAOYSA-N
-rxn:5:190195:223113:227491,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(OC3CCC3)nc2)c1)C1CCOCC1,MQIYSNMHPTWSFZ-UHFFFAOYSA-N
-rxn:5:190196:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,QWQXXJPNUKGJHR-UHFFFAOYSA-N
-rxn:5:190199:222417:225655,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)c(CN(C)C4CCOCC4)c3)c2)CC1,BRGQLZHDUPVOST-UHFFFAOYSA-N
-rxn:5:190199:225634:228020,Cc1cc(-c2ccc(-c3c(F)cccc3C3CC3)cc2CN(C)C2CCOCC2)cnc1N1CCCCC1,APARNSRLMMBCKR-UHFFFAOYSA-N
-rxn:5:190200:226134:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C#N)cc(C3CC3)c2C)c1,YHBJGMLASFJVMZ-UHFFFAOYSA-N
-rxn:5:190201:223113:225881,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(C3CCOCC3)nc2F)CCO1,NAYMEDHWNUWWME-UHFFFAOYSA-N
-rxn:5:190264:223062:227804,CC1CCN(C(=O)Cc2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c(-c3cnc(C4CCNCC4)cc3F)c2)CC1,VSJNLANQVQYRFX-UHFFFAOYSA-N
-rxn:5:190264:227048:223286,CC1CCN(C(=O)Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)c(-c3ccc(C(=O)C(C)C)cc3)c2)CC1,SRDFGMYSMDZKTJ-UHFFFAOYSA-N
-rxn:5:190299:228241:226069,COc1ccc(-c2ccc(F)c(C(C)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)C1=O,HHYOVAXOOLIIBF-UHFFFAOYSA-N
-rxn:5:190299:228269:226181,COc1cc(-c2ccc(OC)c(C=C3SC(=O)N(c4ccc(-c5ccc(C6=CCCCC6)nc5)cc4)C3=O)c2)c(F)cc1C,RSECIRBGKZADPD-UHFFFAOYSA-N
-rxn:5:190335:225818:229232,CCc1ncsc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C(F)(F)F)cc2C2CC2)c1OC,QYQVBZHMDZNKIP-UHFFFAOYSA-N
-rxn:5:190337:222956:227741,COc1c(-c2ccc(C)cc2C2CCCNC2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(C(F)(F)F)nc1C,LUMAITZREDAYQX-UHFFFAOYSA-N
-rxn:5:190337:223090:226913,CCc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc4[nH]nc(C(F)(F)F)c4c3)c2OC)cc(C2CC2)c1,IHFBIOVBVFQCRW-UHFFFAOYSA-N
-rxn:5:190337:226395:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cncc(N3CCCCC3)c2)c1OC,WLAAAWFPPFIHMV-UHFFFAOYSA-N
-rxn:5:190337:228490:227387,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccnc(N2CCCC2)c1,UQGRGKYGHWUWJK-UHFFFAOYSA-N
-rxn:5:190484:223135:227543,COC(=O)c1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccnc4C4CCCNC4)c3)CCS2(=O)=O)ccc1F,PSTVGRRINYEKQS-UHFFFAOYSA-N
-rxn:5:190484:227860:226583,CN1CCc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(CN6CCOCC6)s5)S(=O)(=O)CC4)c3)ccc21,VAJGMHYGVYFAKR-UHFFFAOYSA-N
-rxn:5:190740:223062:225976,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,DMAHONSNPOOEBZ-UHFFFAOYSA-N
-rxn:5:190740:225655:223010,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(C2(O)CCOCC2)cc1,NJKNTVSCVAABOB-UHFFFAOYSA-N
-rxn:5:190740:225833:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cnc(C2CCNCC2)cc1F,ABFRACFFCFRMTF-UHFFFAOYSA-N
-rxn:5:190740:225976:226661,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCN(C)CC2)cs1,HIZYSVBJABCUOT-UHFFFAOYSA-N
-rxn:5:190740:226661:225982,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1cnc(N2CCOCC2)cc1F,LZEUQSOHVJUZCX-UHFFFAOYSA-N
-rxn:5:190741:222983:223062,CCOC(=O)c1cnc2c(-c3cccc(CN4CCC(O)C4)c3)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,PDNUZADUIQIBEM-UHFFFAOYSA-N
-rxn:5:190741:225633:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,GMAJHZQRMUWKKK-UHFFFAOYSA-N
-rxn:5:190741:225976:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,AESJEEDRCRTHAV-UHFFFAOYSA-N
-rxn:5:190741:225978:225978,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCOCC2)nc1F,JBXFFUDHVZOMMF-UHFFFAOYSA-N
-rxn:5:190741:225980:225633,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,IZWZGGCHZZPRPG-UHFFFAOYSA-N
-rxn:5:190741:226583:225976,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,UUYPDQQWQCSPEW-UHFFFAOYSA-N
-rxn:5:190742:223056:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(F)c(C2CCNCC2)c1,PCVNQDCEJCMSJY-UHFFFAOYSA-N
-rxn:5:190742:223065:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(N2CCOCC2)cc1F,XJXOGUIYBSTTKV-UHFFFAOYSA-N
-rxn:5:190742:225784:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccnc(OC2CCOCC2)c1,OSATYCPHVSVZSM-UHFFFAOYSA-N
-rxn:5:190742:225834:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2CCNCC2)nc1F,NGQXJFYBOVQURI-UHFFFAOYSA-N
-rxn:5:190742:225976:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(C2CCOCC2)nc1F,ZKWXMLBUBCQMMD-UHFFFAOYSA-N
-rxn:5:190742:225982:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,YNRXDEJDHHJYMC-UHFFFAOYSA-N
-rxn:5:190742:225982:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,BFSWBZJSQNWNAP-UHFFFAOYSA-N
-rxn:5:190743:223061:225980,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,GXQFYEFIBGUKTA-UHFFFAOYSA-N
-rxn:5:190743:225784:223006,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,FWNGMFCRCPKGAS-UHFFFAOYSA-N
-rxn:5:190743:225976:225982,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,OYGRPICKDSBBHP-UHFFFAOYSA-N
-rxn:5:190744:225834:225980,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,HDGDNUQUVCNWCM-UHFFFAOYSA-N
-rxn:5:190744:225976:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,HXWLTHPLUAYABV-UHFFFAOYSA-N
-rxn:5:190744:225976:225982,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,PSIWPJVFXQQYGS-UHFFFAOYSA-N
-rxn:5:190797:225450:226058,CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc2c1ccn2C(=O)OC(C)(C)C,MLQRJAAJGXSLJQ-UHFFFAOYSA-N
-rxn:5:190799:226644:225980,CC(C)(C)OC(=O)n1ccc2c(-c3cncc(N4CCOCC4)c3)c(-c3cc(N4CCOCC4)ncc3F)ccc21,LKQARMVJBBFDDP-UHFFFAOYSA-N
-rxn:5:190833:223231:226603,CNC(=O)c1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1C,JGBVROKTQAGEHO-UHFFFAOYSA-N
-rxn:5:190833:225617:229185,CC(C)(C)OC(=O)N1Cc2c(-c3cc(F)nc(F)c3)ccc(-c3ccc(OC4CCCCO4)cc3)c2C1=O,GPTQFQTVUITROJ-UHFFFAOYSA-N
-rxn:5:190833:227065:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,UIVPTXRULRQBMK-UHFFFAOYSA-N
-rxn:5:190833:227963:227048,CC(C)C(=O)c1ccc(-c2ccc(-c3ccnc(C(C)(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc1,IKNXVNNRLBLPMN-UHFFFAOYSA-N
-rxn:5:190859:225450:228586,CC(C)c1ncccc1-c1c(-c2ccc(C(=O)C3CCCC3)cc2)ccc2c1CCN2C(=O)OC(C)(C)C,AJKYOMIWANKZSW-UHFFFAOYSA-N
-rxn:5:190859:227065:223183,CNS(=O)(=O)c1ccc(-c2c(-c3cccc(C(=O)C(C)C)c3)ccc3c2CCN3C(=O)OC(C)(C)C)c(C)c1,XRINTWULJYQBRF-UHFFFAOYSA-N
-rxn:5:190998:226900:226738,COC(=O)c1cc(-c2ccc(C(C)=O)cc2[N+](=O)[O-])ccc1N1Cc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2OCC1=O,YUVKTOHBDPMSLX-UHFFFAOYSA-N
-rxn:5:191026:223306:227086,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(C4CCCC4)c3)c2)c2cc(-c3ccc4c(c3)CNCC4)ccc2S1(=O)=O,QJTYGGHXFHCHIX-UHFFFAOYSA-N
-rxn:5:191026:226882:228750,COC(=O)C1=CN(c2ccc(C)c(-c3cncc(C(C)=O)c3)c2)c2cc(-c3ccc(C(F)(F)F)c(F)c3F)ccc2S1(=O)=O,AKTUJUNNYPVMNC-UHFFFAOYSA-N
-rxn:5:191026:227076:227038,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)C)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,PCVHVGMRUYWFDE-UHFFFAOYSA-N
-rxn:5:191026:227933:227048,CCc1ccc(OC)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(=O)C(C)C)cc3)c1)C=C(C(=O)OC)S2(=O)=O,VGYQOEFDBNVOIL-UHFFFAOYSA-N
-rxn:5:191026:228595:226154,CCc1ncc(C)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3OC)c1)C=C(C(=O)OC)S2(=O)=O,BKOVZXZCKKULFZ-UHFFFAOYSA-N
-rxn:5:191049:225834:226794,COc1cc(N2Cc3cc(-c4cc(N5CCCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCSCC2)nc1,YIKDWQMIBSLBOR-UHFFFAOYSA-N
-rxn:5:191049:227312:227065,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(C(=O)C(C)C)c4)cc2OC)C(=O)CO3)c(F)n1,LAJQIXIJWTXKCF-UHFFFAOYSA-N
-rxn:5:192560:225394:225802,O=C(c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc(OC2CCCC2)nc1F)N1CCC1,MMWFWLKEYJYKKE-UHFFFAOYSA-N
-rxn:5:192565:225824:225653,CC1CCCCN1c1ccc(-c2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)ccc2C2(C#N)CCC2)cn1,PZRWULYEKRTCFL-UHFFFAOYSA-N
-rxn:5:192571:223062:225931,Cc1cc(-c2c(C(=O)N3CCC3)cccc2-c2cnc(C3CCNCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,ICOGEKRUIYLYCT-UHFFFAOYSA-N
-rxn:5:192880:225930:225633,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccnc(OC3CCCC3)c2-c2ccc(N3CCCCCC3)nc2)c1,SMXYJEIJYZXYFT-UHFFFAOYSA-N
-rxn:5:193051:226044:226729,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(CN2CCCC2=O)c(-c2cnc(OC3CCOC3)nc2)c1,KLCDUSYMEPZVFW-UHFFFAOYSA-N
-rxn:5:193225:226709:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3c(C)cc(C(F)(F)F)cc3C)cc2C(=O)N2CCOCC2)c1,YEPBFEWRFVDMHX-UHFFFAOYSA-N
-rxn:5:193226:223006:226583,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,AHPUINUYAILHTE-UHFFFAOYSA-N
-rxn:5:193229:225986:225805,CC(c1ccc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccccc2N2CCCS2(=O)=O)s1)N1CCOCC1,UUZCZKKJAJSQPY-UHFFFAOYSA-N
-rxn:5:193229:226664:225833,O=C(c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,NYHVMZVDDMDMPB-UHFFFAOYSA-N
-rxn:5:193230:227316:223061,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)cc(F)n1,MBSIBYOAJJNBML-UHFFFAOYSA-N
-rxn:5:193231:225937:226827,Cc1c(C(F)(F)F)ccc(-c2cc(-c3cc(C(F)(F)F)ncc3C(C)C)ccc2C(=O)N2CCSCC2)c1F,SSVCCYSWHTXXQU-UHFFFAOYSA-N
-rxn:5:193382:223285:226643,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2)c1,PWAWQKDCDDWKDJ-UHFFFAOYSA-N
-rxn:5:193382:223287:226645,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)cc1,YTHUTAJIRYLNPZ-UHFFFAOYSA-N
-rxn:5:193382:223295:226665,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCCOC4)nc3)c2)c1,TXFLOOPIYFGVME-UHFFFAOYSA-N
-rxn:5:193382:226037:226968,COc1c(C(F)(F)F)ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc4c(c3)OC(C)(C)C4)c2)c1F,JRFPEQDVDHKERA-UHFFFAOYSA-N
-rxn:5:193382:226661:222959,Cc1cc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,BGWJAEDZZIIJQO-UHFFFAOYSA-N
-rxn:5:193382:226662:223295,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cncc(NS(C)(=O)=O)c4)c3)s2)CC1,YPQZESKQWOUHJO-UHFFFAOYSA-N
-rxn:5:193382:226665:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,AEJAQGLQJSAPFF-UHFFFAOYSA-N
-rxn:5:193382:227710:223294,CS(=O)(=O)Oc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)cc1,IEDSDECBIMLIQK-UHFFFAOYSA-N
-rxn:5:193382:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,HEBSNHUVDCCDSS-UHFFFAOYSA-N
-rxn:5:193463:225591:227561,COc1cc(F)c(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2CN2CCC(=O)CC2)cc1OC,AVNFAHORLFIKSV-UHFFFAOYSA-N
-rxn:5:193464:225613:227710,CS(=O)(=O)Oc1ccc(-c2cc(-c3ccnc(OC4CCCCC4)c3)ccc2C2(C#N)CCCCC2)cc1,QHXXDDCHOSHCMA-UHFFFAOYSA-N
-rxn:5:193506:222958:223312,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNC4)cc3)c2)cc1C1CCNCC1,PUNRITULKONPII-UHFFFAOYSA-N
-rxn:5:193506:223139:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,BRIXNBTVPZFWDY-UHFFFAOYSA-N
-rxn:5:193506:223140:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,FMVNJMKLORWHFJ-UHFFFAOYSA-N
-rxn:5:193506:223145:225806,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC(=O)N4)cc3)cc2-c2cnc(OC3CCCC3)cc2F)CC1,OKYCZDGQHXLCLQ-UHFFFAOYSA-N
-rxn:5:193506:223288:226645,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(N4CCOCC4)c3)c2)c1,PDBYEXPFCNASEP-UHFFFAOYSA-N
-rxn:5:193506:223294:223054,CC(c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,XPLJVZABBPPEDE-UHFFFAOYSA-N
-rxn:5:193506:225879:228701,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2-c2cnc(C3CC3)nc2)CC1,BWDHYDCUSIZDSY-UHFFFAOYSA-N
-rxn:5:193506:225982:228701,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2-c2cnc(C3CC3)nc2)CC1,ICSGFJXSMGQCSB-UHFFFAOYSA-N
-rxn:5:193506:226342:227404,COC(=O)c1c(C)cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCCC4)cs3)c2)cc1C,XATKQGOEZWPYBX-UHFFFAOYSA-N
-rxn:5:193506:226426:227710,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)s2)CC1,LMBPYDGPCFTIPU-UHFFFAOYSA-N
-rxn:5:193710:223136:225879,O=C1C(=Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cc2)SC(=S)N1c1cccc(-c2ccncc2C2CCCNC2)c1,CJZVPYQZYRDQQD-UHFFFAOYSA-N
-rxn:5:193710:225982:225873,O=C1COCCN1c1cccc(-c2ccc(C=C3SC(=S)N(c4cccc(-c5cnc(N6CCOCC6)cc5F)c4)C3=O)cc2)c1,SXTUXJCLESGALL-UHFFFAOYSA-N
-rxn:5:193749:225600:226189,CC1CCCCN1C(=O)c1cc(-c2cccnc2OC2CCCCC2)ccc1-c1ccc(C2CCCC2)c(F)c1,BEHDTMQXGYNPEI-UHFFFAOYSA-N
-rxn:5:193753:228136:225592,CC1CCCCN1C(=O)c1cc(-c2ccc(OC3CC3)nc2)cc(-c2cc(F)ccc2CN2CCCC2)c1,VVHIYFXXFAMGTD-UHFFFAOYSA-N
-rxn:5:193754:223388:225672,CC1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2cc(F)nc(C3CCCCC3)c2)CC1,IIZVBANNGNGAML-UHFFFAOYSA-N
-rxn:5:193754:225933:225927,CC1CCN(C(=O)c2cccc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2-c2cc(C(F)(F)F)ccc2N(C)C)CC1,WDYFUSWYYMTHPE-UHFFFAOYSA-N
-rxn:5:193754:228196:225633,Cc1ncnc(C2CC2)c1-c1cccc(C(=O)N2CCC(C)CC2)c1-c1ccc(N2CCCCCC2)nc1,ACPQILSQTFLTTO-UHFFFAOYSA-N
-rxn:5:193756:225588:227941,COCc1cc(C)cc(-c2cc(-c3ccccc3CN3CCSCC3)ccc2C(=O)N2CCCCC2C)c1,LNJCVCNTUUUUTK-UHFFFAOYSA-N
-rxn:5:193808:223062:227506,CC1CCN(Cc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,BMURGTFZZDHGPG-LFIBNONCSA-N
-rxn:5:193808:225453:227349,COc1cc(C)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2CN2CCC(C)CC2)c1OC,SWPMMOIGTWHREH-UHFFFAOYSA-N
-rxn:5:193866:226059:226914,Cc1cc(CC(C)C)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc(C(C)C)cc1C(C)C,DTVBMZZWRQZNPT-UHFFFAOYSA-N
-rxn:5:193866:226341:227933,CCc1ccc(OC)cc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cc(C(C)C)c(F)cc1OC,ZAFVCUNMCCOILM-UHFFFAOYSA-N
-rxn:5:193866:226341:227935,CCc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(C(C)C)c(F)cc2OC)ccc1OC,MHQXCPGKYXEAFN-UHFFFAOYSA-N
-rxn:5:193866:228503:225637,CN1CCN(c2ccccc2-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(c2)CCC3)CC1,CYLSOZHXMMPTIO-UHFFFAOYSA-N
-rxn:5:193867:226061:227935,CCc1cc(-c2cc(-c3cc(C(C)C)cc(C4CC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)ccc1OC,KOWSNXWIUNUXTC-UHFFFAOYSA-N
-rxn:5:193869:223135:222420,Cc1cc(-c2cccnc2C2CCCNC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,VDYVPYRXFDPKCS-UHFFFAOYSA-N
-rxn:5:193869:223139:222420,Cc1cc(-c2ccc(C3CCNCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,MEJNDDOSIMJMIF-UHFFFAOYSA-N
-rxn:5:193869:223378:225515,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,XYYKOKIMKJDGPO-UHFFFAOYSA-N
-rxn:5:193869:225515:228570,Cc1cc(-c2cccc3c2OCC(C)(C)CO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C2CC2)c1,LQOYIFUOPKUFOY-UHFFFAOYSA-N
-rxn:5:193869:225515:228712,Cc1cc(-c2cccc3c2OCC(C)(C)CO3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnn1C1CCC1,IYPAAHZDQARRQV-UHFFFAOYSA-N
-rxn:5:193869:225636:228747,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(F)cccc1C#N,AXRAEAMFMCFLQH-UHFFFAOYSA-N
-rxn:5:193869:225833:228701,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,JBHIMSNMGUOMNH-UHFFFAOYSA-N
-rxn:5:193869:225872:228701,Cc1cc(-c2cc(F)c(F)c(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,YXSRUKCBEFHCLZ-UHFFFAOYSA-N
-rxn:5:193869:225978:228685,COCc1cncc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCOCC4)nc3F)cc2C)c1,WBVLDRGHBLRDDV-UHFFFAOYSA-N
-rxn:5:193869:226395:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)c1,ANSSUMDMPBFZLJ-UHFFFAOYSA-N
-rxn:5:193869:226663:228502,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1nn(C)cc1C(F)(F)F,NJHLZAXOAGQQNY-UHFFFAOYSA-N
-rxn:5:193869:226679:228078,Cc1cc(-c2cnc(N3CCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)COC2=O,HOGORQYQNMQOJX-UHFFFAOYSA-N
-rxn:5:193869:226794:228969,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cscc1C(F)(F)F,GXJZZCSENJOTOC-UHFFFAOYSA-N
-rxn:5:193869:226913:227376,CCc1cc(-c2cc(C)c(-c3cncc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,WXCUUHYWMNWJBC-UHFFFAOYSA-N
-rxn:5:193869:226946:227387,Cc1cc(-c2ccc3c(c2)CCN(C)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,MBANFHUFSZVDKE-UHFFFAOYSA-N
-rxn:5:193869:227376:226959,Cc1cc(-c2cncc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CC(C)(C)O2,CJTHMLAJICBHJU-UHFFFAOYSA-N
-rxn:5:193869:227387:228502,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1nn(C)cc1C(F)(F)F,PQGKRNQGCGGDDE-UHFFFAOYSA-N
-rxn:5:193869:227807:226366,Cc1cc(-c2cccc3c2CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,ORPUMKGFUQXUMI-UHFFFAOYSA-N
-rxn:5:193869:228504:225633,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,QUKFAGRVASMCQF-UHFFFAOYSA-N
-rxn:5:193869:228516:225638,CCc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCC(C)CC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,ZGVPZTDGDNCSDB-UHFFFAOYSA-N
-rxn:5:193869:228516:225655,CCc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,DYAKSJFRMJSDDD-UHFFFAOYSA-N
-rxn:5:193869:228637:225633,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,FVAFRBCYFXLUAA-UHFFFAOYSA-N
-rxn:5:193870:223146:223147,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cccc(C2CNCCO2)c1,ZUBMUKCSYBKPRM-UHFFFAOYSA-N
-rxn:5:193870:225508:225834,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc2c(c1)c(C1CC1)nn2C,YHEJIBQGYNRTIK-UHFFFAOYSA-N
-rxn:5:193870:225633:228574,Cc1ccc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C#N)c1,MGOZTQXFGAJCLF-UHFFFAOYSA-N
-rxn:5:193870:225638:228516,CCc1cc(C)cc(-c2cc(-c3ccc(N4CCC(C)CC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,YRRFPSOLWGXXBM-UHFFFAOYSA-N
-rxn:5:193870:225652:228516,CCc1cc(C)cc(-c2cc(-c3cncc(N4CCCC(C)C4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,DEUZMSBVGLZTGD-UHFFFAOYSA-N
-rxn:5:193870:225655:228516,CCc1cc(C)cc(-c2cc(-c3cncc(N4CCC(C)CC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,FXMXWPVPPPDCTF-UHFFFAOYSA-N
-rxn:5:193870:225976:228691,CCOc1ccc(-c2cc(-c3ccnc(N4CCOCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)cn1,CDQOWGUEPHGYRU-UHFFFAOYSA-N
-rxn:5:193870:225982:228709,Cc1cc(-c2cc(-c3cnc(N4CCOCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,YTNFXEFPRPQDIY-UHFFFAOYSA-N
-rxn:5:193870:226181:227807,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCC3)cc1-c1ccc(C2=CCCCC2)nc1,UXCFDFICYMGHLR-UHFFFAOYSA-N
-rxn:5:193870:226364:227807,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCC3)cc1-c1ccc(N2CCCCC2)nc1,HMHKMTYIKKRYIQ-UHFFFAOYSA-N
-rxn:5:193870:226364:227830,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3(C)CC3)cc2)cc1-c1ccc(N2CCCCC2)nc1,IMWIMLVRQXGVIL-UHFFFAOYSA-N
-rxn:5:193870:226366:227830,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3(C)CC3)cc2)cc1-c1ccnc(N2CCCCC2)c1,DHBVTAWYCCLTCA-UHFFFAOYSA-N
-rxn:5:193870:226366:228171,CCOc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1F,ADJGWLGSORQRIE-UHFFFAOYSA-N
-rxn:5:193870:226395:227807,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCC3)cc1-c1cncc(N2CCCCC2)c1,HRIGDPDTTOSELL-UHFFFAOYSA-N
-rxn:5:193870:226395:227830,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3(C)CC3)cc2)cc1-c1cncc(N2CCCCC2)c1,IWWXQBZJTHIVCE-UHFFFAOYSA-N
-rxn:5:193870:226665:223285,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2NS(C)(=O)=O)cc1-c1cnc(C2CCCOC2)nc1,ZVKNBFGXMNZUAU-UHFFFAOYSA-N
-rxn:5:193870:227387:226946,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCN(C)C3)cc1-c1ccnc(N2CCCC2)c1,GPCQDEPFFUYBFE-UHFFFAOYSA-N
-rxn:5:193870:227940:226364,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,LTQQHSSNCAWQPD-UHFFFAOYSA-N
-rxn:5:193870:227964:226172,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCC3)ccc2C)cc1-c1cncc(C2(C)CC2)c1,GFMQASJQAWLSLK-UHFFFAOYSA-N
-rxn:5:193870:228019:226366,CC(=O)c1ccc(C)c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,ZIMLGNNJNRCGQS-UHFFFAOYSA-N
-rxn:5:193870:228245:226366,CC(=O)c1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1F,IIZVIIUMSXOAFG-UHFFFAOYSA-N
-rxn:5:193870:228516:225633,CCc1cc(C)cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,FOBNRASVXCLGRH-UHFFFAOYSA-N
-rxn:5:193870:228570:225515,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCC(C)(C)CO3)cc1-c1cncc(C2CC2)c1,REJSGGLRKBMIMU-UHFFFAOYSA-N
-rxn:5:193870:229197:222989,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCNCC3)cc2C)cc1-c1cnn(C(F)F)c1,NFLSJBYEDOQGNS-UHFFFAOYSA-N
-rxn:5:193871:226334:228488,Cc1cc(C(=O)N(C)C)cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(F)cc2[N+](=O)[O-])c1,MEMQQKJUPGQKOQ-UHFFFAOYSA-N
-rxn:5:193871:228720:226842,Cc1cnn(C(C)C)c1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1cncc(C(=O)C(F)(F)F)c1,NIKRUUSBRZBBPV-UHFFFAOYSA-N
-rxn:5:193912:222988:226427,Cc1cc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5cc(N6CCC(C)CC6)cs5)cc4)C3=O)cc2)cc(C2CCNCC2)n1,RFDXENACMUEIJD-UHFFFAOYSA-N
-rxn:5:193972:223252:228681,Cc1cc(-c2cc(F)c3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1CC1CC1,DXVPHSBYPSGAQE-UHFFFAOYSA-N
-rxn:5:193972:225454:228996,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)ccn1,OVRVPMQGBWMYPD-UHFFFAOYSA-N
-rxn:5:193972:225454:228997,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,INJHQHXFZUHXKE-UHFFFAOYSA-N
-rxn:5:193972:225454:229225,CCn1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,FPJJYEJZHUGUPP-UHFFFAOYSA-N
-rxn:5:193972:225455:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCCC4)ccc3C)cc2C)c1,PCAPRSCNEDFBNA-UHFFFAOYSA-N
-rxn:5:193972:225461:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)cc3C)cc2C)c1,VKGBUYLLYTUJAA-UHFFFAOYSA-N
-rxn:5:193972:225465:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4CCN(C)CC4)c3)cc2C)c1,FPYVPOUODKPDTG-UHFFFAOYSA-N
-rxn:5:193972:226366:228504,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1CCC2,WFHZQPHZLMGBMS-UHFFFAOYSA-N
-rxn:5:193972:226366:228572,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1C#N,HISIFGNVYJOAFF-UHFFFAOYSA-N
-rxn:5:193972:226366:228574,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(C#N)c1,HTBRWKAZFAPJRS-UHFFFAOYSA-N
-rxn:5:193972:226366:228575,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1C#N,KOVPZUMFJPOQJW-UHFFFAOYSA-N
-rxn:5:193972:226366:228729,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)cc1C#N,OBPFQLBZDSJUJD-UHFFFAOYSA-N
-rxn:5:193972:226371:228625,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCC4)cc3C)cc2C)c(F)c1,OJGYWKURJVRAKZ-UHFFFAOYSA-N
-rxn:5:193972:226468:228687,CCSc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc4c3OCC(=O)N4C)cc2C)cn1,PMGUFWVIALDSHF-UHFFFAOYSA-N
-rxn:5:193972:226662:229097,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,YENKTDYDLFTRKB-UHFFFAOYSA-N
-rxn:5:193972:227495:227996,CCN(C)c1cc(-c2cc(C)c(-c3ccc(C(C)=O)cc3C)cc2S(=O)(=O)N2CCCCCC2)c(F)cn1,HPOUJFPJEUMQAQ-UHFFFAOYSA-N
-rxn:5:193972:228133:227387,Cc1cc(-c2ccc(F)c(CC#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,AFJZCLNKXYVHTD-UHFFFAOYSA-N
-rxn:5:193972:228504:226364,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,SUGZGYDLDMAOMU-UHFFFAOYSA-N
-rxn:5:193972:228504:226395,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,OSRKEZYGLTVNTL-UHFFFAOYSA-N
-rxn:5:193972:228572:226366,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C#N,MMSMDEIETPTZJC-UHFFFAOYSA-N
-rxn:5:193972:228575:226366,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1C#N,JFNNRLVXJUASQE-UHFFFAOYSA-N
-rxn:5:193972:228581:226366,Cc1cc(-c2cccc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,NEUKMUUIDHYEHL-UHFFFAOYSA-N
-rxn:5:193972:228625:226366,CCc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,YBXCOYAJYPIRBT-UHFFFAOYSA-N
-rxn:5:193972:228729:226366,Cc1cc(-c2ccc(F)cc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,UQKYRLNCXHXSCC-UHFFFAOYSA-N
-rxn:5:193972:228732:226366,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IOSYTZCKNXVGTM-UHFFFAOYSA-N
-rxn:5:193972:228976:225634,Cc1cc(-c2ccc3c(c2)C=C3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,LNPKXCRCELQLSJ-UHFFFAOYSA-N
-rxn:5:193972:228987:225633,Cc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,QIESEXZGAYVDBT-UHFFFAOYSA-N
-rxn:5:193972:228995:225456,CCc1cncc(-c2cc(C)c(-c3ccc(C4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,GYLHGBXNOSNBJG-UHFFFAOYSA-N
-rxn:5:193972:228995:225631,CCc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,QKNBZYBNWORZIM-UHFFFAOYSA-N
-rxn:5:193972:228995:225632,CCc1cncc(-c2cc(C)c(-c3cccc(N4CCN(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,CIXFIIIUEXGYIA-UHFFFAOYSA-N
-rxn:5:193972:228996:225454,CCc1cc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)ccn1,AGLHSFGOZHFJQI-UHFFFAOYSA-N
-rxn:5:193972:228997:225454,CCc1ccc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,XQZPMYRZCHMGQH-UHFFFAOYSA-N
-rxn:5:193972:229106:226662,Cc1cnc(F)c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)c1,JGHUQVFOAVZHEF-UHFFFAOYSA-N
-rxn:5:194058:223054:225982,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCC(O)C1,RYMSLSYAHWTYIF-UHFFFAOYSA-M
-rxn:5:194058:225607:225601,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3(C#N)CCC3)cc2F)s1)N1CCCCC1,QMVSGMOSLSIMAV-UHFFFAOYSA-M
-rxn:5:194058:225607:225602,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3(C#N)CCC3)ccc2F)s1)N1CCCCC1,WEANMQPODBIVRW-UHFFFAOYSA-M
-rxn:5:194058:225607:225824,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CC3)cc(C(F)(F)F)c2)s1)N1CCCCC1,UUUWCPXLHBIWGY-UHFFFAOYSA-M
-rxn:5:194058:225607:225941,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CC3)c(C(F)(F)F)c2)s1)N1CCCCC1,SUAXSXCKNBVEIV-UHFFFAOYSA-M
-rxn:5:194058:225804:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(=O)N3CCC3)c(F)c2)s1)N1CCCCC1,RIKZEFPVWNFZRF-UHFFFAOYSA-M
-rxn:5:194058:225935:225805,CC(C)c1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCOCC3)s2)cc(C(F)(F)F)n1,BUJYCNZMIMMHOS-UHFFFAOYSA-M
-rxn:5:194058:225980:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCC(O)C1,FKZLZFYRQZUCSH-UHFFFAOYSA-M
-rxn:5:194522:226177:225987,CC(C)CN1CCc2c1ccc(-c1ccnc(C3CCCCC3)c1)c2-c1ccc(N2CCCS2(=O)=O)cc1,CHFKSNLBIRTHSF-UHFFFAOYSA-N
-rxn:5:194561:225980:227029,CC(C)(C#N)c1ccccc1-c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1C(=O)N1C2CCC1COC2,KZEUDGAFPVVDCD-UHFFFAOYSA-N
-rxn:5:194661:226767:225881,COc1ccc(C(F)(F)F)c(-c2ccc(CN3Cc4cc(-c5ccc(C6CCOCC6)nc5F)ccc4OCC3=O)cc2)c1,OMCHEAIVBSLNNK-UHFFFAOYSA-N
-rxn:5:194733:226188:226576,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,WNBMUGMDPOGFIV-UHFFFAOYSA-N
-rxn:5:194733:228020:226759,COc1cc(-c2ccc(-c3c(F)cccc3C3CC3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(C(F)(F)F)c1,XGTPZFJUKDOSMY-UHFFFAOYSA-N
-rxn:5:194767:223065:227316,CC(C)Cc1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,CZERSRRASGYWHG-UHFFFAOYSA-N
-rxn:5:194767:227316:223062,CC(C)Cc1cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,RPWVWVLGLSEJKB-UHFFFAOYSA-N
-rxn:5:194767:228582:223008,CC(C)c1ccncc1-c1ccc(-c2cc(C3CCNCC3)ccc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,BUMRYQGYAHYWRM-UHFFFAOYSA-N
-rxn:5:194782:226837:227940,CCc1cc(SC)cc(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,NUQIUZARLSUMQK-UHFFFAOYSA-N
-rxn:5:196670:225832:225639,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2cccnc2N2CCC(C)CC2)c1C1CCCC1,UESJPCVLJJIJRQ-UHFFFAOYSA-N
-rxn:5:196793:225978:226849,COc1nccc(-c2cc(N3CCOCC3=O)ccc2-c2ccc(N3CCOCC3)nc2F)c1C(F)(F)F,HKTKZVAFCZIKOG-UHFFFAOYSA-N
-rxn:5:196795:225652:226158,CC1CCCN(c2cncc(-c3cc(N4CCOCC4=O)ccc3-c3ccccc3N3CCCCC3)c2)C1,QHFDJICXZIULFG-UHFFFAOYSA-N
-rxn:5:196858:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cccnc1C1CCCNC1,XGJCDKXGVDNDOJ-UHFFFAOYSA-N
-rxn:5:196858:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cncnc1C1CCCCC1,SGIBPZAHMQLFMC-UHFFFAOYSA-N
-rxn:5:196873:225849:225833,Fc1cc(N2CCCCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,JMDDWLSPSZKWKX-UHFFFAOYSA-N
-rxn:5:196917:225926:225833,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,ZMLFIVRGPUXXAK-UHFFFAOYSA-N
-rxn:5:196917:225926:225849,CC1(C)COC(c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,QAWLTXYYPNRBJT-UHFFFAOYSA-N
-rxn:5:196919:223061:225926,CC1(C)COC(c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,WGMUKEJYZSUJET-UHFFFAOYSA-N
-rxn:5:196919:225833:225926,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,AODZENPYIGSYTO-UHFFFAOYSA-N
-rxn:5:196919:225834:225926,CC1(C)COC(c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,DCRBGEKPRCVPKB-UHFFFAOYSA-N
-rxn:5:196919:225849:225926,CC1(C)COC(c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,TXEBPHJOUIPFIS-UHFFFAOYSA-N
-rxn:5:196919:225987:226177,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2ccnc(C3CCCCC3)c2)=N1,PDBRGLRQVZKCSD-UHFFFAOYSA-N
-rxn:5:196922:226901:225515,CC1(C)COc2cccc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)cc(N4CCCCC4=O)c3)c2OC1,RONBCDLKVHLSMJ-UHFFFAOYSA-N
-rxn:5:196923:223131:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCCC2=O)ccc1-c1ccc(N2CCNCC2)cc1,ZABAOIPDEFWGOW-UHFFFAOYSA-N
-rxn:5:196923:225636:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(N2CCCCC2=O)ccc1-c1ccnc(N2CCC(C)CC2)c1,NZCYYXCMYZEUCH-UHFFFAOYSA-N
-rxn:5:196979:223058:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)cc(N2CCCCC2)c1,ZZDAMVMBUFCPSE-UHFFFAOYSA-N
-rxn:5:197876:227315:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CYNUQZNBHVKQDO-UHFFFAOYSA-N
-rxn:5:197876:227412:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,XOVVQASYHOIYPD-UHFFFAOYSA-N
-rxn:5:197884:223065:225611,COc1cc(N2CCCC2)ccc1-c1ccc2c(c1)C(=O)N(c1ccc(C)c(-c3ccc(N4CCNCC4)cc3F)c1)C2=O,LGMZUYNMLNEPSF-UHFFFAOYSA-N
-rxn:5:227863:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc3c(c2)CCCO3)CCC(=O)CC1,NJAPIORWWBGMHI-UHFFFAOYSA-N
-rxn:5:227909:178295:226341,CCC(C)c1cc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,SEJQGMKPTIAUAD-UHFFFAOYSA-N
-rxn:5:227910:178295:223284,CCC(C)c1ccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PEJFSIZSWLRTFA-UHFFFAOYSA-N
-rxn:5:227910:178295:228467,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)sc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,AGJKJVCODBCDFV-UHFFFAOYSA-N
-rxn:5:227917:178295:226582,CCc1ccc(OC)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QCPGMWQLGWYFSD-UHFFFAOYSA-N
-rxn:5:227917:178295:227115,CCc1ccc(OC)c(-c2ccc(-c3cc(C)c(C4CC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FFHSCAVGMRDMEH-UHFFFAOYSA-N
-rxn:5:227935:178295:227322,CCc1cc(-c2ccc(-c3cncc(C(C)C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,UIUHQYOGHYHGEP-UHFFFAOYSA-N
-rxn:5:227942:178295:227042,CCOc1cc(C)c(-c2ccc(-c3ccc(CC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,YNDOSYJXTJQRLP-UHFFFAOYSA-N
-rxn:5:227942:178295:227067,CCc1ccc(-c2ccc(-c3ccc(OC)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,NWUVWBMOMLSHKR-UHFFFAOYSA-N
-rxn:5:227942:178295:227120,CCc1ccc(-c2ccc(-c3ccc(C4CCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,YVGNCHKRFFADEI-UHFFFAOYSA-N
-rxn:5:227946:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LMYCVCSJJNVKAL-UHFFFAOYSA-N
-rxn:5:227979:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,RAAPBTOYAJUFPY-UHFFFAOYSA-N
-rxn:5:227989:178295:227078,CC#Cc1ccc(F)c(-c2ccc(-c3cc(OC)ccc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ISQHXQXCLOXERA-UHFFFAOYSA-N
-rxn:5:227995:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(C)cc(C)c2OC)CCC(=O)CC1,MZGIYOYVRVJVGR-UHFFFAOYSA-N
-rxn:4:173517:226543,CCCOc1ccc(F)c(-c2ccc(C(F)(F)F)cc2OC2(C(=O)OC(C)(C)C)CC2)c1F,FTSMJWFQBQLVHG-UHFFFAOYSA-N
-rxn:4:173518:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1,BEQXUXXWQVQEOY-UHFFFAOYSA-N
-rxn:4:173525:223889,COC(=O)C(CC(=O)c1cccc(C)c1)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc1,VAFUQPRJCWHXKR-UHFFFAOYSA-N
-rxn:4:173574:222500,CC1(C)COC(CCCCC(=O)c2cccc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3F)c2)OC1,CHSVMTGEBLQVCE-UHFFFAOYSA-N
-rxn:4:173611:224746,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc1)C2=O,DVVYQWNGHHPLJW-UHFFFAOYSA-N
-rxn:4:173640:224681,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)c(OCc3c(F)c(F)c(F)c(F)c3F)cc12,HHTSTDICDWNTMY-UHFFFAOYSA-N
-rxn:4:173680:224746,CCOC(=O)c1c(C)oc2cc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c(OC(=O)C3CCCCC3)cc12,LERIDDLHMCIUEA-UHFFFAOYSA-N
-rxn:4:173684:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C=C4Oc5cc(OCC(=O)OC(C)(C)C)ccc5C4=O)cc3)cn2)CC1,WHZCIPFBNOLTEG-UHFFFAOYSA-N
-rxn:4:173723:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cnc1Cl,ZAYYCRGCGSYRMY-UHFFFAOYSA-N
-rxn:4:173723:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C2CC2)n1,HTXWOMZXQZJFCK-UHFFFAOYSA-N
-rxn:4:173763:222513,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1,XQKOWACHMLKHIR-UHFFFAOYSA-N
-rxn:4:173763:222521,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1,HYJBCSUQIHZBSF-UHFFFAOYSA-N
-rxn:4:173763:223489,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,YEHXGLLYHCIHJF-UHFFFAOYSA-N
-rxn:4:173763:223522,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,SEPIKFUEQHSHQB-UHFFFAOYSA-N
-rxn:4:173763:223574,COC(=O)C(=O)CC(=O)c1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,QJESQOVGLPRTAQ-UHFFFAOYSA-N
-rxn:4:173763:223583,COC(=O)C(=O)CC(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(C(=O)OC)ccc23)cc1,NSINUAMAOJIYDM-UHFFFAOYSA-N
-rxn:4:173763:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)CC(=O)C(=O)OC)cc4)c3C(=O)C1C2(C)C,VMTCDOGZSBZVPE-UHFFFAOYSA-N
-rxn:4:173763:223649,COC(=O)C(=O)CC(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XOINCXPYGGGGQV-UHFFFAOYSA-N
-rxn:4:173763:223683,COC(=O)C(=O)CC(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,KCISBRDOPFAFEU-UHFFFAOYSA-N
-rxn:4:173763:223687,COC(=O)C(=O)CC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,GZZYGOBOTHQAEG-UHFFFAOYSA-N
-rxn:4:173763:223789,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c2)cc1,XXUOBMGSFHXEJV-UHFFFAOYSA-N
-rxn:4:173763:223811,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,HITATXRFQILTSI-UHFFFAOYSA-N
-rxn:4:173763:223834,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1,SATAPCKTQFFLDA-UHFFFAOYSA-N
-rxn:4:173763:223977,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)cc1,ULXXJPGWCOBTDV-UHFFFAOYSA-N
-rxn:4:173763:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)cc2)CC1,SQIWLNLNPVANPF-UHFFFAOYSA-N
-rxn:4:173763:224010,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1,VWNYPERYQYSCKN-UHFFFAOYSA-N
-rxn:4:173802:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)C1,MUYDMANCKJKWTJ-UHFFFAOYSA-N
-rxn:4:173802:226047,O=S(=O)(OC(c1ccc(-c2ccc(OC(F)(F)F)c(F)c2F)cc1)C(F)(F)F)C(F)(F)F,FOENEDUJVLPHHN-UHFFFAOYSA-N
-rxn:4:173827:223696,CCOCCOc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,KPLWJKLWODRATM-UHFFFAOYSA-N
-rxn:4:173935:222845,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1C(F)(F)F,RAFFDDGBUODYRO-UHFFFAOYSA-N
-rxn:4:174336:223559,CSc1ccc(C(=O)CCc2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,DDZHJZWJTPGXFE-UHFFFAOYSA-N
-rxn:4:174406:224193,CCN1CCN(Cc2cc(-c3ccc(C4(C(=O)OC)CC(OC)(OC)C4)cc3)ccc2F)CC1,KRRQIUWORGXCAP-UHFFFAOYSA-N
-rxn:4:174406:224853,COC(=O)C1(c2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc2)CC(OC)(OC)C1,UAIGDZLKWQKNPU-UHFFFAOYSA-N
-rxn:4:174490:225354,CCOc1cc(-c2cccc(C(=O)CCCC3OCC(C)(C)CO3)c2)cc(C(F)(F)F)c1F,ZYAKCMGUIPHINX-UHFFFAOYSA-N
-rxn:4:174517:224679,CCCCCC1CCC(c2ccc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cc2)CC1,CWPVROZXFZWQHR-UHFFFAOYSA-N
-rxn:4:174522:222745,CC(C)[Si](C#Cc1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)cc1)(C(C)C)C(C)C,IQSIPNADJJRHHR-UHFFFAOYSA-N
-rxn:4:174522:223690,COC(=O)c1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cn1S(=O)(=O)c1ccc(C)cc1,WWDDNMLIWWCVJY-UHFFFAOYSA-N
-rxn:4:174602:223888,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc1OC)C2=O,ONLOTQSOAUZPMY-UHFFFAOYSA-N
-rxn:4:174647:222935,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc1)C(=O)c1ccccc1C2=O,BFAGSOUGCKXUDW-UHFFFAOYSA-N
-rxn:4:174656:223975,CC(C)[Si](C#Cc1cccc2cccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c12)(C(C)C)C(C)C,FOSPJHAPQLXDKG-UHFFFAOYSA-N
-rxn:4:175118:223559,CC(=O)CCCc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,MAWFFZTYNSJMEK-UHFFFAOYSA-N
-rxn:4:175126:223559,CCOCc1ccc(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,SXQZLMVHYGAGOA-UHFFFAOYSA-N
-rxn:4:175355:223810,Cc1cc(-c2cc(OCC(C)C)ccc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCC(C)CC1,RXNYOCWEAUTUHS-UHFFFAOYSA-N
-rxn:4:175377:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc3)cn2)CC1,QUEJDXUMGSYXIW-UHFFFAOYSA-N
-rxn:4:175416:222539,C#Cc1cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)ccc1C(=O)OC(C)(C)C,MHKKARPSVTWCNM-UHFFFAOYSA-N
-rxn:4:175923:223559,CC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,OGZFKRSKPFZAID-UHFFFAOYSA-N
-rxn:4:175981:222465,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,RPMRVOQJVQMIKB-KZLMYLIQSA-N
-rxn:4:176048:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(OCC3CCOCC3)c(C(C)(F)F)c2)c1,BCPKGDXVIXFODL-UHFFFAOYSA-N
-rxn:4:176124:222774,O=C(Oc1ccccc1-c1ccc(F)c(CN2CCC(O)CC2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,KPMYPBWSCKUSQN-UHFFFAOYSA-N
-rxn:4:176126:224683,O=C(Oc1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,AWKUJTZWJFHBBP-UHFFFAOYSA-N
-rxn:4:176168:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)cc1,KYSDFDMBNVRWQP-UHFFFAOYSA-N
-rxn:4:176236:222545,CC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C2=O,MELJZRBGYYGJTG-UHFFFAOYSA-N
-rxn:4:176262:222636,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c1)C2=O,OWWINFNIJGZHSR-HXUWFJFHSA-N
-rxn:4:176269:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C=C4Oc5cc(OCC=C(C)C)ccc5C4=O)cc3)cn2)CC1,UMOVYPOVFWOKAW-UHFFFAOYSA-N
-rxn:4:176447:223974,CC1CCN(c2ccc(-c3cc(OC(F)(F)F)cc(C(F)(F)F)c3)c(C(F)(F)F)c2)CC1,VOVHBFJJYOEQEZ-UHFFFAOYSA-N
-rxn:4:176448:223920,CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2OC(F)(F)F)c(Cl)c1)C1CCCCC1,VZZLTOYDRZNBIS-UHFFFAOYSA-N
-rxn:4:176512:223785,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)=CC(F)(F)F)cc3)cc2Cl)CC1,REOYLFLZABKQKH-UHFFFAOYSA-N
-rxn:4:176514:222656,O=C(NC1CCCCC1)c1ccc(-c2cc(C(=O)C(F)(F)F)cc(C(F)(F)F)c2)cc1F,DGAPTJOFWKURKQ-UHFFFAOYSA-N
-rxn:4:176517:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(F)c3C(=O)C(F)(F)F)cn2)CC1,JSHMFAWXJAPNRA-UHFFFAOYSA-N
-rxn:4:176794:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(C)=O,HJDNOHFBKKLVBA-UHFFFAOYSA-N
-rxn:4:177079:223539,COc1ccc(-c2ccc(C(F)(F)F)c(OC3CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,XQBVXWXUWXLQGH-UHFFFAOYSA-N
-rxn:4:178293:224728,COC(=O)C1(c2ccccc2-c2cc(OC)ncc2C(=O)OC(C)(C)C)CCC(=O)CC1,ZCXXRINPDVTSFX-UHFFFAOYSA-N
-rxn:4:178329:222723,O=S(=O)(CC1CCCCC1)c1cccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1,IQKLTULPAMCXGH-UHFFFAOYSA-N
-rxn:4:178329:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)CC4CCCCC4)c3)cc2)CC1,LEPBIDBKJSXPNJ-UHFFFAOYSA-N
-rxn:4:178364:222906,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3cnccc3NC(=O)OC(C)(C)C)cc2)C(=O)C1,ZVSMOTFGLRKKRG-UHFFFAOYSA-N
-rxn:4:178364:225318,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3c(F)cc(N4CCOCC4)cc3F)cc2)C(=O)C1,UISZYLRTSIFIAJ-UHFFFAOYSA-N
-rxn:4:178382:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1,QDGYHCAGCFDVTO-UHFFFAOYSA-N
-rxn:4:178384:222956,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C2CCCNC2)c1,CAGLWXIOHLPNQC-UHFFFAOYSA-N
-rxn:4:178384:224705,CC1CCN(c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(F)c2F)CC1,BDGUEIJMXHNPLI-UHFFFAOYSA-N
-rxn:4:178384:225911,COC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cc1OC,NJEKRFBMACTUPI-UHFFFAOYSA-N
-rxn:4:178384:228643,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1Cl,CWDNQTVCRSIHAX-UHFFFAOYSA-N
-rxn:4:178384:229188,Fc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,HSFXUNDHHMADFH-UHFFFAOYSA-N
-rxn:4:178597:227310,CCC(C)c1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1Cl,BVOWXOBZVHREFQ-UHFFFAOYSA-N
-rxn:4:178597:229113,Cc1cnc(F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,NEHPKXFUPQMRTG-UHFFFAOYSA-N
-rxn:4:178692:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(OC(F)(F)F)c(Cl)cc3F)cc2)CC1,HDDYWMWUIKONJO-UHFFFAOYSA-N
-rxn:4:178769:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(F)c(F)cc3C(=O)C(F)F)c2)C1,DHWBCTZXQHTAEA-UHFFFAOYSA-N
-rxn:4:179119:223539,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(Cl)c(C(F)(F)F)c1,WYNGZCVVJOIADG-UHFFFAOYSA-N
-rxn:4:179245:223505,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(OC)cc1F,HMNNTLFNXFVUCL-UHFFFAOYSA-N
-rxn:4:180037:223840,COc1ccc(-c2c(C)cc(C(F)(F)F)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,UCVURDYFYFNKDU-UHFFFAOYSA-N
-rxn:4:180290:222389,COc1c(C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1OCCO1,UHINIIAJHJWXSA-UHFFFAOYSA-N
-rxn:4:180414:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(SC=C3C(=O)OC(C)(C)OC3=O)cc2)cc1,OMLKDNCWSDILAP-UHFFFAOYSA-N
-rxn:4:180509:223059,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2ccc(N3CCNCC3)cc2Cl)c1,GRTJQWHEKDIOBP-UHFFFAOYSA-N
-rxn:4:180509:223065,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2ccc(N3CCNCC3)cc2F)c1,XMSWENYDRVLIPN-UHFFFAOYSA-N
-rxn:4:180815:224953,COc1ccc(-c2ccc(OCC3CCCCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,CPIXYLWSOIVNDK-UHFFFAOYSA-N
-rxn:4:180815:225170,COc1ccc(-c2cc(F)ccc2CN2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,IFCCUPPULJOOLG-UHFFFAOYSA-N
-rxn:4:182368:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C(=O)C3(CCC(C(F)(F)F)CC3)C4)cc2Cl)CC1,KHDIAZWQYHZEBP-UHFFFAOYSA-N
-rxn:4:182376:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)C(=O)[C@@]1(C2)C[C@@H](C)[C@H](OC)[C@@H](C)C1,XFEGDHOMNMQYJB-DWHBNZJTSA-N
-rxn:4:182376:225408,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3C2=O)C[C@@H]1C,ZXOCPRHBQQCCFD-UBHXRJOGSA-N
-rxn:4:183272:223288,CNS(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,VHUWHZDHOCBUSX-UHFFFAOYSA-N
-rxn:4:183273:222406,CCNC(=S)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TYMCFOFHEWAFSO-UHFFFAOYSA-N
-rxn:4:183273:224417,CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,XORSUMOBINZNKV-UHFFFAOYSA-N
-rxn:4:183274:223191,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1F,GBUUODOXTHWPAX-UHFFFAOYSA-N
-rxn:4:183274:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)CC1,FIJIZGVSHBANKD-UHFFFAOYSA-N
-rxn:4:183379:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1,VLTZPXZGBGIFHD-UHFFFAOYSA-N
-rxn:4:183440:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc3c4c(ccc5c4c2CCC5)CCC3)CC1,HPGTXVYBZUIPGT-UHFFFAOYSA-N
-rxn:4:183591:224746,CCOC(=O)C(C)Oc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1[N+](=O)[O-],IHIZDGGSYMAURU-UHFFFAOYSA-N
-rxn:4:183646:224113,COc1ccccc1COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)cc1,LAHFRBBUALLBLG-UHFFFAOYSA-N
-rxn:4:183646:226287,CC(C)COc1cc(Cl)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(OCC(F)(F)F)c1,WFIPBELHOXUXMX-UHFFFAOYSA-N
-rxn:4:183669:224790,CCCOc1cc(-c2ccc(C(=O)N3CCC(SCC(=O)OC)C3)o2)ccc1OC(F)(F)F,PZTLWSMDIRLOJR-UHFFFAOYSA-N
-rxn:4:183678:222545,CCN(CC)C(=O)CCc1ccccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,XRQWCDDLQRVTQJ-UHFFFAOYSA-N
-rxn:4:183704:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc1,SKHDVJWKVIXGSF-SFHVURJKSA-N
-rxn:4:183765:224318,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)C1,PNWYVDOUFVTWMU-UHFFFAOYSA-N
-rxn:4:183820:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1,AOSWJINKBFVJCD-UHFFFAOYSA-N
-rxn:4:183942:222729,CCCc1cc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)n1,ZPFWCQZRVZTXTO-UHFFFAOYSA-N
-rxn:4:183970:225346,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc2OC)CC1,HELMCSOSCXFNTN-UHFFFAOYSA-N
-rxn:4:183994:224372,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)cc1)C1CCCC1,GZTNDZJVLKPUIE-UHFFFAOYSA-N
-rxn:4:184031:223963,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3c(F)ccc(OCc4ccccc4Cl)c3F)c2)C1,POQSAZPRQIGXRZ-UHFFFAOYSA-N
-rxn:4:184060:224078,Cc1ccc(C)c(N2CC(C(=O)OCC(=O)c3ccc(-c4cccc5c4ccn5[Si](C)(C)C(C)(C)C)cc3)CC2=O)c1,GNQDCWVZGOBKGK-UHFFFAOYSA-N
-rxn:4:184081:222720,COc1cc(C=C2N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1-c1ccc(N2CCNCC2)cc1C(F)(F)F,QJLPGMYXZLQARB-UHFFFAOYSA-N
-rxn:4:184094:223569,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)C2CCS(=O)(=O)C2)cc1,LIAAABBIZOBKLH-UHFFFAOYSA-N
-rxn:4:184097:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N(Cc4ccc(C(C)(C)C)cc4)C4CCS(=O)(=O)C4)cc3)cn2)CC1,WQUNIXBJVWSBRA-UHFFFAOYSA-N
-rxn:4:184099:227141,CC(c1ccc(-c2cc3cc(C#N)ccc3s2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ARADDMLVOBTDAT-UHFFFAOYSA-N
-rxn:4:184110:225305,O=C(CN1C(=O)c2ccc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)cc2C1=O)OCC(=O)c1ccc(Cl)cc1,VJZTUEWQKGDLIU-UHFFFAOYSA-N
-rxn:4:184130:224952,CCCCC(CC)CN1C(=O)c2ccc(-c3cccc(CCN4CCOCC4)c3)cc2C1=O,URRBYDFLCVZHAD-UHFFFAOYSA-N
-rxn:4:184134:222888,CCOC(=O)c1c(-c2ccc(CN3CCNCC3)c(Cl)c2)c2ccccc2n1C(=O)OC(C)(C)C,ZELARTJMGBLUKJ-UHFFFAOYSA-N
-rxn:4:184190:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cc(C(C)(C)C)ccc2OCCCN2C(=O)c3ccccc3C2=O)cc1,ZFHHHLHXKGJVEC-UHFFFAOYSA-N
-rxn:4:184222:226308,CCc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1C(=O)OC,NOKNFRYNSSJOSF-UHFFFAOYSA-N
-rxn:4:184224:223888,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc23)cc1,WULBVYCWWCJFHL-UHFFFAOYSA-N
-rxn:4:184235:224746,CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1,HDZXCTZSFNGHJV-UHFFFAOYSA-N
-rxn:4:184244:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COC(=O)c4ccc5c(c4)C(=O)N(c4ccc6c(c4)oc4ccccc46)C5=O)cc3)cn2)CC1,URKSASOSVPWALF-UHFFFAOYSA-N
-rxn:4:184260:223929,COC(=O)Cc1nc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)sc1C(=O)OC,DVKCXOJLTNOTFX-UHFFFAOYSA-N
-rxn:4:184348:224011,CCOC(=O)Cc1ccc(F)c(C#N)c1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,WJJQXCZIDCWTOJ-UHFFFAOYSA-N
-rxn:4:184438:223541,CCOC(=O)c1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc(C(F)F)c1C#N,WAPPXKQJMQZDBH-UHFFFAOYSA-N
-rxn:4:184456:224403,COC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,VKPAASGVQWJEPR-UHFFFAOYSA-N
-rxn:4:184470:223838,CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,UQUDOTMMYUITRS-UHFFFAOYSA-N
-rxn:4:184499:224703,CCOC(=O)c1c(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)ccc(C#N)c1C(F)(F)F,YNJPYHGJTUPBNI-UHFFFAOYSA-N
-rxn:4:184687:224018,CN(C)C(=O)c1cc(OCC(F)(F)F)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1,JZRHMRNUZCGQDA-UHFFFAOYSA-N
-rxn:4:184894:224746,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c2)SC1=S,QIVTVLIXFAJQFL-UHFFFAOYSA-N
-rxn:4:184908:223840,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,OBZSCFYOGCOOCE-UHFFFAOYSA-N
-rxn:4:184911:223901,CC1CCN(CCOc2ccc(-c3ccc(C4(C#N)CCC4)c(OCC4CC4)c3)cc2Cl)CC1,CZQYIBBXJNAHRI-UHFFFAOYSA-N
-rxn:4:184935:222639,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1,GVLDREQNALJWFZ-SFHVURJKSA-N
-rxn:4:184987:224690,CC(C)COc1cc(-c2ccc(CN3CCC(=O)CC3)cc2F)ccc1C(=O)N1CCC1,MZSVETPBIOEULU-UHFFFAOYSA-N
-rxn:4:185092:222718,COC1CCN(CCOc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)CC1,SBBKATRYWCYGLR-UHFFFAOYSA-N
-rxn:4:185105:224582,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2cccc(N3CCN(C4CC4)CC3)c2)C1,QXEGFQRKXLROPM-UHFFFAOYSA-N
-rxn:4:185111:226844,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,GKCQUHYPIGJSFB-UHFFFAOYSA-N
-rxn:4:185113:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(C(F)(F)F)C1,SKOMMDOZEADIIN-UHFFFAOYSA-N
-rxn:4:185117:224237,O=C(CS(=O)(=O)c1cccc(-c2ccccc2OCc2c(F)cccc2F)c1)N1CCCC(C(F)(F)F)C1,RWEQKSQVPKYTJG-UHFFFAOYSA-N
-rxn:4:185121:224683,CCN1C(=O)C(=Cc2ccc(COc3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)o2)SC1=S,OURSHWHZWAANQN-UHFFFAOYSA-N
-rxn:4:185122:222935,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)o2)SC1=S,OGUTZQZOTVEQLT-UHFFFAOYSA-N
-rxn:4:185144:222960,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)cc2)CC1,SGQNFBXKPOWTHG-UHFFFAOYSA-N
-rxn:4:185148:224597,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)C1,MVOILRDZFCJTIP-UHFFFAOYSA-N
-rxn:4:185198:224589,COC(=O)c1cc(-c2ccc(F)cc2CN2CCC(C)CC2)ccc1CN1CCC(OC)CC1,OPKOBGRGPBFIRP-UHFFFAOYSA-N
-rxn:4:185230:224409,COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(-c4cc(OCC(F)(F)F)cc(C(F)(F)F)c4)c3)C2)cc1,RWUXCBILYSZJAZ-UHFFFAOYSA-N
-rxn:4:185245:227118,Cc1c(-c2ccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)o2)cc(Cl)cc1C1CC1,VIUXLIBKPNTVAK-UHFFFAOYSA-N
-rxn:4:185255:224883,COc1ccccc1C(=O)N(c1ccc(-c2ccc(C(C)N3CCCCC3)cc2)cc1)C1C=CS(=O)(=O)C1,XWJYNHHRTHSMLM-UHFFFAOYSA-N
-rxn:4:185269:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,JRDBBUCCKHMVAF-UHFFFAOYSA-N
-rxn:4:185271:224438,Cc1ccc(OCc2ccccc2)c(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,WJKILEVJNYZHPC-UHFFFAOYSA-N
-rxn:4:185278:222819,O=C(Nc1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)c2)cn1)N1CCOCC1,CQESKPHIXOOSNP-UHFFFAOYSA-N
-rxn:4:185288:225173,O=C(Cc1ccc(-c2ccc(C(=O)N3CCCC3)cc2F)cc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1,SQDKVCSCSQMHKL-UHFFFAOYSA-N
-rxn:4:185297:224746,CCOc1ccc(C=C2SC(=S)N(c3cccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)C2=O)cc1OC,AGCYORWRIGGCCO-UHFFFAOYSA-N
-rxn:4:185306:223141,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cncc(C2CCNCC2)c1,PMAGYOROQTXWIW-UHFFFAOYSA-N
-rxn:4:185342:225003,COc1cc(N2CCCCC2)ccc1-c1ccccc1Oc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1,SWBXDTDJKPSZPU-UHFFFAOYSA-N
-rxn:4:185343:224746,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)C2=O)cc(OC)c1OC,QVVVVKIIUWFOOP-UHFFFAOYSA-N
-rxn:4:185350:226908,CCCCCc1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)cc1,OZVLVFPKIREYFQ-UHFFFAOYSA-N
-rxn:4:185375:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,LFJLEIHIGBRJPC-UHFFFAOYSA-N
-rxn:4:185378:227250,CCCOc1cc(Cl)ccc1-c1cccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,BGEYTYUCVYQATF-UHFFFAOYSA-N
-rxn:4:185384:222540,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)C1,DHDMRVIZFQIXOU-UHFFFAOYSA-N
-rxn:4:185407:226920,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C(C)(C)C)ccc1C,PEFBWIVFLZRTBG-UHFFFAOYSA-N
-rxn:4:185434:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,YZLDQLXTPFEIAB-UHFFFAOYSA-N
-rxn:4:185438:222674,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NC4CCCCC4)c3F)cc2)CC1,NVLXCJCPCAECIW-UHFFFAOYSA-N
-rxn:4:185493:223774,COC(=O)c1ccc2c(-c3cc4c(OC)cccc4n3C(=O)OC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,CVHWTCKONPYIKQ-UHFFFAOYSA-N
-rxn:4:185510:226125,COCc1cc(-c2cc3c(c(C(=O)OC)c2)N(C(=O)OC(C)(C)C)CC3)cc(C2CC2)c1,UYTKGRWAHLFWCS-UHFFFAOYSA-N
-rxn:4:185518:222658,Cc1cccc(OCCCN2C(=O)C(=O)c3cc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)ccc32)c1,QTMAXVYJSFRFOA-UHFFFAOYSA-N
-rxn:4:185534:225426,CCN(CC)C(C)c1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1,KVTRURURNGGOAE-UHFFFAOYSA-N
-rxn:4:185555:224719,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc3)cc12,BPICJTLNTKTAPU-UHFFFAOYSA-N
-rxn:4:185558:224645,CCCOc1ccc(CN2Cc3cc(-c4ccc(C(=O)N5CCCC5)cc4OC)ccc3OCC2=O)cc1,PNKAEVVYUHTZNK-UHFFFAOYSA-N
-rxn:4:185589:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)c1,QTUXFDXUDICCLW-UHFFFAOYSA-N
-rxn:4:185602:222935,Cc1c(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)oc2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc12,BSFHHSTWZPBSSK-UHFFFAOYSA-N
-rxn:4:185609:224746,COc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)c3ccccc3S2(=O)=O)cc1OC,FKHXFLUAIGOMGM-UHFFFAOYSA-N
-rxn:4:185610:222935,COc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)c3ccccc3S2(=O)=O)cc1OC,DGIYLMLCKLCEPS-UHFFFAOYSA-N
-rxn:4:185619:225051,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4cc(F)cc(N5CCCC(C)C5)c4)c3)C3CCS(=O)(=O)C3)oc2c1,XLVWCZIOHLAADX-UHFFFAOYSA-N
-rxn:4:185646:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N(C(=O)c4ccc(C)cc4)c4ccc5oc6c(c5c4)CCCC6)cc3)cn2)CC1,XKHZUSPGROHKHQ-UHFFFAOYSA-N
-rxn:4:185724:223480,Cc1cc(-c2cc(OCC(F)F)ccc2[N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DCTHYGHKOIMZAE-UHFFFAOYSA-N
-rxn:4:185735:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc([N+](=O)[O-])ccc3OCC(F)(F)F)cc2[N+](=O)[O-])CC1,FYCHEKRIAKRBDT-UHFFFAOYSA-N
-rxn:4:185819:223835,COC(=O)Cc1cc(C#N)c(F)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,QIZUJXJMQMZWGQ-UHFFFAOYSA-N
-rxn:4:186135:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(OC(F)(F)F)c(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2F)CC1,UQJQUIRPGUTVIA-UHFFFAOYSA-N
-rxn:4:186368:224171,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCCC3)c(F)c2)cc1OC,LJLWLAIPMMPXEE-UHFFFAOYSA-N
-rxn:4:186368:224257,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)cc1OC,CQJSFPJBOBEFCZ-UHFFFAOYSA-N
-rxn:4:186470:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)ccc2OC)CC1,WWEFYWOPNKHRDL-UHFFFAOYSA-N
-rxn:4:186629:222637,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,ROXSLHYCCYKVFE-UHFFFAOYSA-N
-rxn:4:186744:222924,Cc1ccc(-c2ccc(C(=O)N3CCCC3)c(OC(F)(F)F)c2)cc1S(=O)(=O)NC(C)C,DXVDKOJUDIQMSK-UHFFFAOYSA-N
-rxn:4:186753:223506,COc1cc(CN(C)C2CC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QEHXFOHSCHJNSB-UHFFFAOYSA-N
-rxn:4:186819:224416,O=S(=O)(c1ccc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1OC(F)(F)F)N1CCCC1,BWMUNLJPZYANFC-UHFFFAOYSA-N
-rxn:4:186873:223997,Cc1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc(C)c1S(=O)(=O)N1CCOCC1,FACXSLGDULLHRL-UHFFFAOYSA-N
-rxn:4:186976:223696,O=C1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2Cl)CC1,KEMSGHMNZJYVQV-UHFFFAOYSA-N
-rxn:4:186981:222839,CCC(=O)N(c1ccc(-c2ccc(NCC3CCCCC3)nc2)cc1)C1C=CS(=O)(=O)C1,WCDSSIZLNWZGSW-UHFFFAOYSA-N
-rxn:4:187005:223844,O=C(COc1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1)N1CCC(F)(F)CC1,VIZBXIJVJGRSFS-UHFFFAOYSA-N
-rxn:4:187013:223691,O=C(c1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc1OC(F)(F)F)N1CCCCC1,AGYCDEATWYLXPG-UHFFFAOYSA-N
-rxn:4:187065:223482,COc1cc(C(=O)N2CCCC2)cc(OC)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,UQHKFXXUZWHVKB-UHFFFAOYSA-N
-rxn:4:187089:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(OC)c(C(=O)N2CCC(F)(F)C2)c(OC)c1,GACCDVQKNOECFU-UHFFFAOYSA-N
-rxn:4:187120:224407,COC(=O)C1CCCCN1C(=O)c1cccc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)c1,HTEDGNLSAFJGNX-UHFFFAOYSA-N
-rxn:4:187126:223636,COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,AMRVVGSLXWOEOH-UHFFFAOYSA-N
-rxn:4:187137:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C)cc(C(=O)N(C)Cc4ccccc4)c3)cc21,ILFURVGXZLNRSN-UHFFFAOYSA-N
-rxn:4:187158:223166,O=C(CS(=O)(=O)c1cccc(-c2ccc(N3CCNCC3)nc2)c1)N1CCC(F)(F)CC1,KYWKCWNQCXUXER-UHFFFAOYSA-N
-rxn:4:187179:224487,CC1CCN(C(=O)COc2cccc(-c3cccc(OCCN4CCCCC4)c3)c2)CC1,VIAGFBRODPETKN-UHFFFAOYSA-N
-rxn:4:187192:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H](C)N4CCC[C@H]4C(=O)OC)cc3)cc2)CC1,FBYQEYHMRCEQEF-VYNJNGHOSA-N
-rxn:4:187220:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,DAYRXLPQZSMBIC-UHFFFAOYSA-N
-rxn:4:187325:223712,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,BKHNJOHPKXHGRV-UHFFFAOYSA-N
-rxn:4:187350:224746,COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)SC2=S)cc1,KTZNWBWRQSJHLR-UHFFFAOYSA-N
-rxn:4:187377:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)cc3)c(F)c2)CC1,WDWALDSUSMFIFO-UHFFFAOYSA-N
-rxn:4:187414:222822,Cc1cc(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1S(=O)(=O)NC1CC1,ULBARQZUNPMOKH-UHFFFAOYSA-N
-rxn:4:187437:222933,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cnc(NC(=O)OC(C)(C)C)nc2)c1,AMSMQYZMRJQEGR-UHFFFAOYSA-N
-rxn:4:187470:224746,COc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)C2=O)c(OC)c1,ZDHNTBMVQSNGTH-UHFFFAOYSA-N
-rxn:4:187472:224659,COc1cccc(C=C2SC(=S)N(c3ccccc3-c3cccc(C(=O)N4CCN(C)CC4)c3)C2=O)c1OC,CTTABAOUHRUARK-UHFFFAOYSA-N
-rxn:4:187483:222969,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(C(=O)NCC3CC3)cc2)c(OC)c1,BHONHZKTWUVCGR-UHFFFAOYSA-N
-rxn:4:187537:224746,CC(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,CRBHMLFQTIUGCJ-UHFFFAOYSA-N
-rxn:4:187542:224649,COc1cc(-c2cc(F)ccc2OCC2CCCCO2)cc(OC)c1CN1CCC(C)CC1,UMYUNPPCOLTYKF-UHFFFAOYSA-N
-rxn:4:187548:223916,CCN(C(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)c1)C1CCCCC1,OWYHCBZOFWJCHR-UHFFFAOYSA-N
-rxn:4:187565:222935,COc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1C=C1SC(=O)N(Cc2ccc(C)cc2)C1=O,ZEBKLYIIGVFHTQ-UHFFFAOYSA-N
-rxn:4:187570:224679,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cc(Cl)cc(C(=O)N2CCCCC2)c1,AUCHBWOQXLPUEU-UHFFFAOYSA-N
-rxn:4:187598:223798,O=C(c1ccccc1-c1ccc(COc2cccc(C(F)(F)F)c2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,BWLOWNPQWXDUHN-UHFFFAOYSA-N
-rxn:4:187655:225382,CN(Cc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc(C(C)(C)C)c1)C1CCCC1,SWPWEEOMYXGCFD-UHFFFAOYSA-N
-rxn:4:187685:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)cc1,MVROHAGAQNYDIF-UHFFFAOYSA-N
-rxn:4:187690:223049,O=C(NC1CC1)c1ccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)c(F)c1,RJPHJTGIRDKOBB-UHFFFAOYSA-N
-rxn:4:187817:224088,O=C1C(=O)N(CC(=O)c2ccccc2C(F)(F)F)c2ccc(-c3ccc(OCCN4CCCCCC4)cc3)cc21,GIPSSFJINYSCEJ-UHFFFAOYSA-N
-rxn:4:187822:222699,CC(C)(C)OC(=O)CN1Cc2cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)ccc2C1=O,NNSGDLWYTUMFIK-UHFFFAOYSA-N
-rxn:4:187847:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,ZRZFCYGDUIBSAW-UHFFFAOYSA-N
-rxn:4:187862:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccccc2CCC(=O)N2C3C=CCC2CC3)ccn1,GDCPHCNRTVMRDN-UHFFFAOYSA-N
-rxn:4:187943:226097,COc1ccc(-c2ccc(COCC3CC3)cc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,YIYANGAYJGGFBH-UHFFFAOYSA-N
-rxn:4:187945:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)cc1,LDIVKMKQMGZFJD-UHFFFAOYSA-N
-rxn:4:187945:223880,COC(=O)C1=Cc2cc(-c3cc4cc(C)ccc4n3C(=O)OC(C)(C)C)ccc2N(CC(C)C)CCC1,VNGKVRKGHSNABH-UHFFFAOYSA-N
-rxn:4:187948:222730,CCCc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,RRHHYVMDAOFBIU-UHFFFAOYSA-N
-rxn:4:187948:225439,COc1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,QQQOFZGJHAZNKN-UHFFFAOYSA-N
-rxn:4:187961:224128,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc1)CC(C)(C)CC2=O,URTQVFKQMXWHSJ-UHFFFAOYSA-N
-rxn:4:187961:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)c1,PDJVTOCZNGJDGF-UHFFFAOYSA-N
-rxn:4:187973:222845,CC(c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1)N1CCNCC1,JUNQJTNEIWRGOD-UHFFFAOYSA-N
-rxn:4:187990:222935,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1,LSQCYURYCRCQAB-UHFFFAOYSA-N
-rxn:4:188014:224683,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1,RHOPTGNCGKEWOT-UHFFFAOYSA-N
-rxn:4:188025:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)(C)C)cc2)N(Cc2ccco2)C4=O)c1,HGEAZBHGLGCIHG-UHFFFAOYSA-N
-rxn:4:188648:223815,Cc1cc(OC(F)F)cc([N+](=O)[O-])c1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,DOMJHQKPBNZZGG-UHFFFAOYSA-N
-rxn:4:188681:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2F)CC1,FCLUMHJARQQRAZ-UHFFFAOYSA-N
-rxn:4:188681:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2)CC1,KFRHUUVGIHZZNX-UHFFFAOYSA-N
-rxn:4:188681:223695,NS(=O)(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1OC(F)(F)F,ODSZWZJZBXCQKI-UHFFFAOYSA-N
-rxn:4:188681:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2F)CC1,QXAXHPXKYCOQTO-UHFFFAOYSA-N
-rxn:4:188681:223892,CN1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2)CC1,NRNWARSKRPGKRS-UHFFFAOYSA-N
-rxn:4:188681:224015,Cc1cc(F)c(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cc1S(=O)(=O)N1CCOCC1,UEPOEAYGOCGKAF-UHFFFAOYSA-N
-rxn:4:189383:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCC3)cc2Cl)CC1,SNLPRSHXAVNYHC-UHFFFAOYSA-N
-rxn:4:189704:223971,COC(=O)C1CC(=O)N(c2ccccc2-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)C1,SLBNRWFRMUZNJI-UHFFFAOYSA-N
-rxn:4:189809:222523,COC(=O)C1CCN(c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c2)C1,KLTWDSOQNUAYSF-UHFFFAOYSA-N
-rxn:4:189869:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCSCC3)cc2C(F)(F)F)CC1,KPCKRDTVJYKBPE-UHFFFAOYSA-N
-rxn:4:189944:223953,COCCN1CCN(c2cc(F)cc(-c3cccc(CS(=O)(=O)N4CCOCC4)c3)c2)CC1,BVTCOVJRJLLSOS-UHFFFAOYSA-N
-rxn:4:190015:222723,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,HYXKCYJBMQDOIO-UHFFFAOYSA-N
-rxn:4:190058:224734,O=C(Cc1ccc(F)cc1-c1ccc(C(F)(F)F)cc1OCC1CC1)N1CCC(F)(F)CC1,APCHUQVSJYFQHA-UHFFFAOYSA-N
-rxn:4:190120:222695,Cc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)cc1S(=O)(=O)NC1CCCC1,NHNLEMIOQBUBPA-UHFFFAOYSA-N
-rxn:4:190137:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(CCN3CCC(F)(F)CC3)cc2F)c1,OSVBERIXFDUALI-UHFFFAOYSA-N
-rxn:4:190153:224714,CCCCOc1ccc(-c2cc(C(=O)N3CCC(F)CC3)cc(Cl)c2OC)cc1C(F)(F)F,DUVINKASURHXLT-UHFFFAOYSA-N
-rxn:4:190178:223961,CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)cc1,ZJZXXSWGRNAJIT-UHFFFAOYSA-N
-rxn:4:190186:223712,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(CN2CCCCC2)c1,BLEZOGXXCGPOPZ-UHFFFAOYSA-N
-rxn:4:190262:224410,Cc1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1,PVJZXBQGRCMNOB-UHFFFAOYSA-N
-rxn:4:190275:222789,COc1cc(C)c(-c2cc(F)ccc2NC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCOCC1,OXOCIUHPPKXHKR-UHFFFAOYSA-N
-rxn:4:190287:224743,CC(=O)N1CCC(c2ccc(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)cc2C(F)(F)F)CC1,QZYKVIYNXUECHG-UHFFFAOYSA-N
-rxn:4:190330:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)c1,PTWHPIDSIXPWPO-UHFFFAOYSA-N
-rxn:4:190332:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3)c2)CC1,VLLMHKNOTZUAIV-UHFFFAOYSA-N
-rxn:4:190340:225187,CC(c1cccc(-c2cc(Cl)ccc2CN2CCOCC2)c1)N1CCC(C(F)(F)F)CC1,UDAWOCLLFVBNKD-UHFFFAOYSA-N
-rxn:4:190354:223178,CONC(=O)c1ccc(F)c(-c2cc(C)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,ZIKPRUXHMBIIHG-UHFFFAOYSA-N
-rxn:4:190355:226118,CCC(C)Oc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc1C,RFCUJVBOLQFDTF-UHFFFAOYSA-N
-rxn:4:190374:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCC1C,BFRRGBKKVSEQQX-UHFFFAOYSA-N
-rxn:4:190426:222935,CC(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)CC1,IGHRWGQKAUQGBF-UHFFFAOYSA-N
-rxn:4:190427:223997,Cc1cc(-c2ccc(C3CCN(C(=O)C4CCC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,IXSAJJGWHCDQTL-UHFFFAOYSA-N
-rxn:4:190469:224746,CC(=O)N1CCN(c2ccc(-c3cccc(-c4ccc(C=C5SC(=S)N(C6CCS(=O)(=O)C6)C5=O)o4)c3)cn2)CC1,ZXPUGPSXGFLZDB-UHFFFAOYSA-N
-rxn:4:190472:225986,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccccc1N1CCCS1(=O)=O,WGYPNLRWIJLBAW-UHFFFAOYSA-N
-rxn:4:190477:224395,COc1ccc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,YBBKKXRWHYNOOM-UHFFFAOYSA-N
-rxn:4:190484:224746,CC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5Cl)S(=O)(=O)CC4)c3)cn2)CC1,SPGMREBYCNNJPA-UHFFFAOYSA-N
-rxn:4:190493:222891,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCNCC2)n1,DCOHIRCUXYGRDJ-UHFFFAOYSA-N
-rxn:4:190772:222589,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1,GEPJVZIXEOVHBR-UHFFFAOYSA-N
-rxn:4:190772:223474,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,BXHPGVVSMMIETC-UHFFFAOYSA-N
-rxn:4:190772:223539,COc1ccc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ACOPAYNMDHVNKT-UHFFFAOYSA-N
-rxn:4:190772:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2F)CC1,YYHAMZKOIVFZRY-UHFFFAOYSA-N
-rxn:4:190848:224416,C[Si](C)(C)OC1(C#N)CCc2cc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)ccc21,QLRAMGUPBREKKI-UHFFFAOYSA-N
-rxn:4:190897:222604,COc1ccc(-c2ccc(C(=O)N3C4CCC3CC(SC)C4)o2)cc1S(=O)(=O)NC1CCCC1,KEUAUZXSDYVWLT-UHFFFAOYSA-N
-rxn:4:190897:225297,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1,IRVGXEUBGUZIIF-UHFFFAOYSA-N
-rxn:4:190904:223635,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2c(ccn2C(=O)OC(C)(C)C)c1,GUWIUDQWHYIINO-UHFFFAOYSA-N
-rxn:4:190905:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)cc1,IGAPLPWIBAIQOP-UHFFFAOYSA-N
-rxn:4:190927:222740,CC(C)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)cc(C2CCCNC2)n1,TUCYZWORMNXKCU-UHFFFAOYSA-N
-rxn:4:190930:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O,QBFJJJYNDLBJSP-UHFFFAOYSA-N
-rxn:4:190930:224609,CC(C)N(C(=O)c1ccncc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O)C(C)C,FEYWBYSMABFAJC-UHFFFAOYSA-N
-rxn:4:190931:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)c1,HCADBZGYCWSXAL-UHFFFAOYSA-N
-rxn:4:190934:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)cc1,FHEULJLSNAXOQG-UHFFFAOYSA-N
-rxn:4:190952:223771,COc1ccc2c(c1)cc(-c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,FVLVRXSCXNANML-UHFFFAOYSA-N
-rxn:4:190959:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)cc1,FBQBLSHGCAMUKB-UHFFFAOYSA-N
-rxn:4:190988:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1F,MMZKIKBSUBNJSB-UHFFFAOYSA-N
-rxn:4:191027:222935,COC(=O)C1=CN(c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c(C)c2)c2cc(F)ccc2S1(=O)=O,UWNJELMRYTZMKJ-UHFFFAOYSA-N
-rxn:4:191028:222935,COC(=O)C1=CN(c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c(C)c2)c2ccc(F)cc2S1(=O)=O,SPEHOFYEKHVJNM-UHFFFAOYSA-N
-rxn:4:191032:223035,CC(C)(C)OC(=O)N1CCc2cc(-c3cccnc3NC(=O)C(C)(C)C)sc2C1(C)C,NFRCZYJBUKDLRY-UHFFFAOYSA-N
-rxn:4:191038:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C)c1,KHKHAKWOIZMYPE-UHFFFAOYSA-N
-rxn:4:191039:224842,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21,OQJOOGMQNVJQSH-UHFFFAOYSA-N
-rxn:4:191044:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCCC(C(F)(F)F)C4)c4ccccc34)c3ccccc23)CC1,JPKRBKKOJFSGMK-UHFFFAOYSA-N
-rxn:4:191045:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CN5CCC(C(F)(F)F)CC5)c5ccccc45)c3C(=O)C1C2(C)C,VEWGJPNIUUNINA-UHFFFAOYSA-N
-rxn:4:191055:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)c1,OQYLWFRTWUBSQM-UHFFFAOYSA-N
-rxn:4:191056:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)CCO3)cc1F,BVSRUDLCDIAACH-UHFFFAOYSA-N
-rxn:4:191057:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c(C)c1,XLDXGXNJDNWGFR-UHFFFAOYSA-N
-rxn:4:191062:223147,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CNCCO2)cc1,IYVAUHFBLSPHOH-UHFFFAOYSA-N
-rxn:4:191062:226452,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2OCCCO2)cc1,NSKVVRQMIBGTJB-UHFFFAOYSA-N
-rxn:4:191075:222715,CC(C)(C)OC(=O)Nc1cc(-c2ccc([C@@]34CN(Cc5ccccc5)C[C@@H]3S(=O)(=O)C4)cc2)cc(Cl)c1F,GVPAITGKIDZDMI-SVEHJYQDSA-N
-rxn:4:191087:225757,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc(C(C)C)n1,SSSCCGKPWROICJ-UHFFFAOYSA-N
-rxn:4:191088:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1F,HHHCPVYCNCPZII-UHFFFAOYSA-N
-rxn:4:191088:225564,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,BHXPKJJHIOEHSA-UHFFFAOYSA-N
-rxn:4:191090:223082,CNS(=O)(=O)c1c(C)cc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1C,PQQYAKVICGYOTG-UHFFFAOYSA-N
-rxn:4:191091:224863,CC(C)N(Cc1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,BYDZOUXXIXMFNM-UHFFFAOYSA-N
-rxn:4:191097:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,GXIWWDKOMNYNDH-UHFFFAOYSA-N
-rxn:4:191103:223849,CCCCCc1ccc(-c2ccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,XOTJEDBZOQGABE-UHFFFAOYSA-N
-rxn:4:191103:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C,VRRALTBVUDNENI-UHFFFAOYSA-N
-rxn:4:191117:224420,Cc1cc2c(cc1-c1cccc3c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC3=O)C(C)(C)CCC2(C)C,YSZIFTMOXUMGAS-UHFFFAOYSA-N
-rxn:4:191122:222935,COc1ccc(S(=O)(=O)N2c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3C(C)=CC2(C)C)cc1,LRUMAAWXSJLQBC-UHFFFAOYSA-N
-rxn:4:191124:226917,Cc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)(C)C)c1,UHHQWSLDMGHFKV-UHFFFAOYSA-N
-rxn:4:191125:224429,CC(C)COc1ccc2cc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)ccc2c1,MEJNJIWZFVYNJL-UHFFFAOYSA-N
-rxn:4:191138:224746,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SARDJAAIBCOIKG-UHFFFAOYSA-N
-rxn:4:191173:226679,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cnc(N6CCCC6)cc5F)c4)cc1c32,RZBRCFPGYCJMFT-UHFFFAOYSA-N
-rxn:4:191189:224746,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1,UQGHJSYGPGSPFW-UHFFFAOYSA-N
-rxn:4:191194:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1,QIYMRSNTYJKWIA-UHFFFAOYSA-N
-rxn:4:191195:224862,CC(C)Oc1ccc2ccccc2c1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,VCEFZTBHTKOMLQ-UHFFFAOYSA-N
-rxn:4:192605:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cccc(C(=O)N4CCSC4=S)c3)cc2)C1,APYIKCIYXSFCHW-UHFFFAOYSA-N
-rxn:4:192685:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(CN4CCC4)cc3)cc(C(F)(F)F)c2)CC1,VZPSWJVHXHFFSA-UHFFFAOYSA-N
-rxn:4:192772:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,FCQCMMXKNDRECQ-UHFFFAOYSA-N
-rxn:4:192772:222584,CSC1=NC(=Cc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)C(=O)S1,PQNLXZKKESKHQL-UHFFFAOYSA-N
-rxn:4:192772:222604,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)NC1CCCC1,SAHXZQXYWUXQOM-UHFFFAOYSA-N
-rxn:4:192772:223526,CSC1=NC(=Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C(=O)S1,QVGDNSYBBLPQEA-UHFFFAOYSA-N
-rxn:4:192772:223531,CSC1=NC(=Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)C(=O)S1,XHDFSHYYGAFOEV-UHFFFAOYSA-N
-rxn:4:192772:223539,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AFZHQDLUWLLDLF-UHFFFAOYSA-N
-rxn:4:192772:223573,CSC1=NC(=Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C(=O)S1,ZCKOQNNSPVPVAV-UHFFFAOYSA-N
-rxn:4:192772:223581,COC(=O)c1cccc2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)n(C(=O)OC(C)(C)C)c12,ZFDSUJCSBMLTCC-UHFFFAOYSA-N
-rxn:4:192772:223582,COC(=O)c1ccc2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)n(C(=O)OC(C)(C)C)c2c1,BIHFWUBCNZOTHK-UHFFFAOYSA-N
-rxn:4:192772:223646,CSC1=NC(=Cc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2)C(=O)S1,XQPIERCPPLWMTK-UHFFFAOYSA-N
-rxn:4:192772:223649,CSC1=NC(=Cc2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,BBBDRYKVHWOBDI-UHFFFAOYSA-N
-rxn:4:192772:223650,CSC1=NC(=Cc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)S1,ZUQMDMWNSXROAO-UHFFFAOYSA-N
-rxn:4:192772:223660,CSC1=NC(=Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)C(=O)S1,XFTOYPXCSBDJBC-UHFFFAOYSA-N
-rxn:4:192772:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)ccc2OC)CC1,WOJQUVHSAOIWFQ-UHFFFAOYSA-N
-rxn:4:192772:223695,CSC1=NC(=Cc2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C(=O)S1,PGNDCOJUCKVQTG-UHFFFAOYSA-N
-rxn:4:192772:223712,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1C12CC3CC(CC(C3)C1)C2,VLQOAYBFWNURDG-UHFFFAOYSA-N
-rxn:4:192772:223784,CCN1CCN(CCOc2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2F)CC1,RIFKTECMQAOGDF-UHFFFAOYSA-N
-rxn:4:192772:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)ccc2C)CC1,QWVQOQHRCKESON-UHFFFAOYSA-N
-rxn:4:192772:223929,CSC1=NC(=Cc2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)C(=O)S1,CQISCKSOUQTOFL-UHFFFAOYSA-N
-rxn:4:192772:223941,CSC1=NC(=Cc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc2)C(=O)S1,FGFKWVYAHHSVNB-UHFFFAOYSA-N
-rxn:4:192772:223959,CCN1CCN(C(=O)c2cc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)ccc2Cl)CC1,TUJPWEXZPCWVQA-UHFFFAOYSA-N
-rxn:4:192772:223997,CSC1=NC(=Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)C(=O)S1,YVLVLFLSXJGNIO-UHFFFAOYSA-N
-rxn:4:192849:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3csc(OC4CCCCC4)n3)c2)CC1,KSXUSTSOUVGSMK-UHFFFAOYSA-N
-rxn:4:193126:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(N4CCCC4=O)c(C(F)(F)F)c3)c2)C1,XXIFQGYOLUWYPV-UHFFFAOYSA-N
-rxn:4:193131:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1,DCNKLUIHCKZUPF-UHFFFAOYSA-N
-rxn:4:193131:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1,MKOHMLWLKFNYEW-UHFFFAOYSA-N
-rxn:4:193261:223492,Cc1cc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IODFVTHJUOCNHT-UHFFFAOYSA-N
-rxn:4:193267:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(F)c(C(=O)N5CCOCC5)cc4Cl)c3C(=O)C1C2(C)C,ALPITEUJSIXUJQ-UHFFFAOYSA-N
-rxn:4:193303:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCC(F)(F)C4)c(F)cc3F)c(F)c2)CC1,XLQVOZZIFLNHKP-QAQDUYKDSA-N
-rxn:4:193340:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,NEHBWZOIOPCVIU-UHFFFAOYSA-N
-rxn:4:193355:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,POWZBHZSDCYGRF-UHFFFAOYSA-N
-rxn:4:193392:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,LNYDFPULUDLINQ-UHFFFAOYSA-N
-rxn:4:193500:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,KCJJDFPXHBGRKN-UHFFFAOYSA-N
-rxn:4:193515:224704,Cc1cc(C(=O)N2CCC(F)(F)C2)c(F)c(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)c1,LVWZAANHCPQWBD-UHFFFAOYSA-N
-rxn:4:193518:223568,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,VUJWRARBHFUTML-UHFFFAOYSA-N
-rxn:4:193634:222630,Cc1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc(S(=O)(=O)N2CCC(F)(F)C2)c1,XHTVNZPJZNRWKE-UHFFFAOYSA-N
-rxn:4:193765:223508,Cc1cc(F)c(C(=O)N2CCCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,WNCMIGBTURCJNK-UHFFFAOYSA-N
-rxn:4:193769:223508,Cc1cc(C(=O)N2CCCCC2)c(F)c(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1,NFNUZYNWLZTCAV-UHFFFAOYSA-N
-rxn:4:193775:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(N2C(=O)C=CC2=O)c(C(C)(C)C)c1,DSMTZGRSPHJGSZ-UHFFFAOYSA-N
-rxn:4:193780:223992,Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,ZSDJXUAIDDHMJT-UHFFFAOYSA-N
-rxn:4:193788:222389,CN(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)C1CCCCC1,FMRBVUGXDMYEKF-UHFFFAOYSA-N
-rxn:4:193816:222538,CC1CCN(Cc2ccc(F)cc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,UAOIXBIQCJRDEE-UHFFFAOYSA-N
-rxn:4:193838:223928,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,OYDHCWMMUAKFTE-UHFFFAOYSA-N
-rxn:4:193842:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,IMKBYDPLQOLFSV-UHFFFAOYSA-N
-rxn:4:193872:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3Cl)cn2)CC1,CDRDHGRBNSAAEC-UHFFFAOYSA-N
-rxn:4:193883:222947,CC1CCCN(S(=O)(=O)c2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)c(F)cc2F)C1,JSYQGMHNQHDHER-UHFFFAOYSA-N
-rxn:4:193898:223815,COC1CCN(c2cccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)c2C)CC1,COVGGHHGWPIDPW-UHFFFAOYSA-N
-rxn:4:193909:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)cc1,SGIGVMLGGRWMKX-UHFFFAOYSA-N
-rxn:4:193922:223712,COc1ccc(-c2ccc(C)c(C(=O)N3CCCC(C)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,HJBQIJRNSKEKNP-UHFFFAOYSA-N
-rxn:4:193946:224280,CC1CCCN(C(C)c2ccccc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1,PCSBXNDGAVFBGI-UHFFFAOYSA-N
-rxn:4:193998:222888,Cc1cc(-c2ccc(CN3CCNCC3)c(Cl)c2)c(S(=O)(=O)N2CCCCCC2)cc1C,IIPPSLJEUKWKBN-UHFFFAOYSA-N
-rxn:4:194414:222466,Clc1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)ccc2c1CCN2CC1CC1,DHUFWHKWLPOXFE-UHFFFAOYSA-N
-rxn:4:194554:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc2c1N(CC(C)C)C(=O)C2=O,WRDBSKKVNHAOPM-UHFFFAOYSA-N
-rxn:4:194572:224689,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CC3CC2CS3(=O)=O)c(Cl)c1)N1CCCCC1,CWQOOZGQMGVGLD-UHFFFAOYSA-N
-rxn:4:194585:223776,CC(=O)N1c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2CC1C(C)C,XOFNUCKMWYWHAZ-UHFFFAOYSA-N
-rxn:4:194589:224008,O=C(c1cc(-c2cc(CN3CCCC3)cc3c2OCC3)cc([N+](=O)[O-])c1)N1CCOCC1,RJMBZNUAUJSXHK-UHFFFAOYSA-N
-rxn:4:194649:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4c(c3)C=C(C(=O)N3CCOCC3)C=CO4)cc2)CC1,RBCUROINXOCGKX-UHFFFAOYSA-N
-rxn:4:194696:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c1,FZEIYSMNILKIEC-UHFFFAOYSA-N
-rxn:4:194728:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc3c(c2)CCN(CC2CCOCC2)C3)c1,QYNNWMQLEBDZHM-UHFFFAOYSA-N
-rxn:4:194731:224669,COC1CCN(C2CCc3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc32)CC1,JNAMLRRQPPKSNM-UHFFFAOYSA-N
-rxn:4:194740:223541,COc1cccc2c1OCC(=O)N(c1ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)c1)C2,JMBFWZQJPBDVEC-UHFFFAOYSA-N
-rxn:4:194750:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,SMXYZYIUCBGBGE-UHFFFAOYSA-N
-rxn:4:194750:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,JYMYEVUVTOGASN-UHFFFAOYSA-N
-rxn:4:194750:225943,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)s1)N1CCOCC1,JXUXEFPUYFJRKR-UHFFFAOYSA-N
-rxn:4:194751:223044,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccc(C(=O)NC(C)C)c(F)c3)ccc21,NCENXRXGROIKQD-UHFFFAOYSA-N
-rxn:4:194763:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(C)c2ccc(F)cc2)C(=O)C(C)O3)cc1,LZSQRNAXUYXUIH-UHFFFAOYSA-N
-rxn:4:194764:225213,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)o3)c(Cl)c2)CC1,PXGNERSXAMNRMZ-UHFFFAOYSA-N
-rxn:4:194770:224283,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cc2)c2ccccc21,YWNHQNDCMYPHJJ-UHFFFAOYSA-N
-rxn:4:194852:224412,CN1C(=O)C(S(=O)(=O)c2ccccc2)C2CC1(C)Oc1ccc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc12,RRBCLKSDQXEKMM-UHFFFAOYSA-N
-rxn:4:194853:223896,COc1cccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)c1C(=O)N(C(C)C)C(C)C,NNLYTYMWQRYPRD-UHFFFAOYSA-N
-rxn:4:196112:223528,Cc1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1C,HLRALVUTLSMLJO-UHFFFAOYSA-N
-rxn:4:196906:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCC(=O)CC4)cc3)cn2)CC1,PDYKBFVXLZVBQO-UHFFFAOYSA-N
-rxn:4:197983:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)CCCC4N3CCOC(C)C3)cc2)CCCC1,OACLHBPXWRTGIC-UHFFFAOYSA-N
-rxn:4:197990:224280,CC1CCCN(C2CCCc3cc(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)ccc32)C1,XTRKCGSEXDRFNK-UHFFFAOYSA-N
-rxn:4:199492:223559,CCOC(=O)C(CC(C)C)n1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,ZKGPUFNMNCMHEZ-UHFFFAOYSA-N
-rxn:4:199500:222875,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(C(=O)NC(C)(C)C)ccc2F)cn1,PAOQKNAONWHRAD-UHFFFAOYSA-N
-rxn:4:199500:223975,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cn1,WHVRYPQLEVKSEU-UHFFFAOYSA-N
-rxn:4:199539:222959,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C3CCNCC3)c(C)c2)cc1,JUDMRHSNGYOLIG-UHFFFAOYSA-N
-rxn:4:199559:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c3cscn3)cc2Cl)cc1,USFJAXBVJJBYJJ-UHFFFAOYSA-N
-rxn:4:199605:222699,O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ncccc2-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)C1,JEPNSISMXWVJBT-UHFFFAOYSA-N
-rxn:4:199627:223970,COc1cccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)c1,KFMFIRMNXHDQCS-UHFFFAOYSA-N
-rxn:4:199637:223057,O=S(=O)(c1ccc(-c2cc(Cl)nc(C3CCCNC3)c2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1,WCRYJVKZQXBQKB-UHFFFAOYSA-N
-rxn:4:199684:222466,CC(C)Oc1ccc(-c2noc(CS(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)n2)cc1,LGBCRKIUWRNAKQ-UHFFFAOYSA-N
-rxn:4:199713:225998,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C(=O)OC)cc([N+](=O)[O-])c1,KYPLXCMHHZFBQK-UHFFFAOYSA-N
-rxn:4:199728:222771,O=C(NC1CCCC1)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3)cc2)ccc1F,YAWCXNOMKONRDH-UHFFFAOYSA-N
-rxn:4:199737:222629,CCN1CCN(Cc2cccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c2OCC2CC2)CC1,OBQAXXCEXURRRQ-UHFFFAOYSA-N
-rxn:4:199776:225998,COC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc([N+](=O)[O-])c1,MBGBYAVLKFDPRT-UHFFFAOYSA-N
-rxn:4:199789:222541,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3ccc(C(=O)NCCN4CCCCC4)cc3)CC2)ccn1,IXOSWOSRDKVABA-UHFFFAOYSA-N
-rxn:4:199814:222935,COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)c1,QQMKANIFMAPTCU-UHFFFAOYSA-N
-rxn:4:199846:225566,CCOc1ccc(-c2ccc(OCC3(C)COC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,ACKGKNDOEMTITQ-UHFFFAOYSA-N
-rxn:4:199850:222935,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC2(C)C)cc(OC)c1OC,JNAKETGAHSPWAQ-UHFFFAOYSA-N
-rxn:4:199865:224003,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(Cl)c(-c4cccc(C(F)(F)F)c4)c3)cc2)[C@@H](c2ccc(Cl)cc2)C1,FFNHWXBNVVALDK-GDLZYMKVSA-N
-rxn:4:199866:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3ccc(C=C(C(=O)N4CCOCC4)C(=O)N4CCOCC4)o3)cc2)cc1,PWIPRLZEECZETF-UHFFFAOYSA-N
-rxn:4:199872:224746,COc1cccc(C2CC(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC,DPNNJVUCZROACD-UHFFFAOYSA-N
-rxn:4:199881:222424,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NC23CCCCCC3)cc(OC)c1OC,PPFDQHMQNFZUPG-UHFFFAOYSA-N
-rxn:4:199905:224566,CCOC(=O)c1cc2c(-c3ccc(C4(C(=O)OC)CCCC4)cc3)ccnc2n1C(=O)OC(C)(C)C,QLXUUERLLMBWFT-UHFFFAOYSA-N
-rxn:4:199941:223608,COc1cccc2sc(N(CC3CCCO3)C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)o3)nc12,VPHHQVLAUOFSFO-UHFFFAOYSA-N
-rxn:4:199981:225345,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(S(=O)(=O)N(C)C)ccc4OC)cc32)SC1=S,XFSKRQAXCIXOKN-UHFFFAOYSA-N
-rxn:4:199996:222935,CCOCCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc21,OCRKUQZNLHIMPR-UHFFFAOYSA-N
-rxn:4:199999:226918,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C4=CCCC4)cc3)cc2ccn1C(=O)OC(C)(C)C,JDFWGYJNZSHVHL-UHFFFAOYSA-N
-rxn:4:200014:224708,COc1ccc(-c2ccc3cc(OC(F)(F)F)ccc3c2)cc1C1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21,TVOAPWVOTNGFCJ-UHFFFAOYSA-N
-rxn:4:200016:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)c1,OLMWRHYKDRMSES-UHFFFAOYSA-N
-rxn:4:200026:223279,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)N2C1c1ccc(OC)cc1,YFXDQEWQAGTOPH-UHFFFAOYSA-N
-rxn:4:200029:222935,CC1CCN(C(=O)CSc2cn(Cc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)c3ccccc23)CC1,UVDQFEZSLMHXCL-UHFFFAOYSA-N
-rxn:4:200030:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCCC4)c4ccccc43)cc2)cc1,GPPZNRIIMOJKOL-UHFFFAOYSA-N
-rxn:4:200041:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCc6ccccc65)cccc4C3=O)cc2)cc1,PNSJSUOMEAGBFU-UHFFFAOYSA-N
-rxn:4:200043:227073,COc1cc(-c2ccc(CN3CCC(N(C)C(=O)OC(C)(C)C)CC3)c3ccccc23)cc(C2CC2)c1,FOKGABQLUUEAFV-UHFFFAOYSA-N
-rxn:4:200048:223130,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CC(O)C5)cc4)cc3)[n+](C)c3ccccc32)C1,NOVOKZXVMMJXNQ-UHFFFAOYSA-N
-rxn:4:200048:223685,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(F)(F)F)c(OCc5cccnc5)c4)cc3)[n+](C)c3ccccc32)C1,QMHPBXFBRHIJML-UHFFFAOYSA-N
-rxn:4:200048:226498,CCN(CC)c1ncc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,FKYZNCNYMHLUHG-UHFFFAOYSA-N
-rxn:4:200054:223998,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1,BTRHUPFBEIUYBI-UHFFFAOYSA-N
-rxn:4:200057:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C4=O)cc3)cn2)CC1,IIIOOYPJGYZHRZ-UHFFFAOYSA-N
-rxn:4:200064:224681,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c1,HTEMBPNZYVATSI-UHFFFAOYSA-N
-rxn:4:200064:226537,CCOC(=O)c1ccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)c2)cc1Cl,GBOMKWJMPUYWNX-UHFFFAOYSA-N
-rxn:4:200107:224405,CCOC(=O)c1cc(C#N)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1,GSQFPFQAXINBNX-UHFFFAOYSA-N
-rxn:4:200206:223884,CCOC(=O)C(C(C)C)n1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cn1,YVFDZOHUWYZGBR-UHFFFAOYSA-N
-rxn:4:200365:225284,CC(C)Cc1cc(-c2ccc(C#N)cc2C2CN(C(=O)OC(C)(C)C)C2)cnc1C(F)(F)F,JIWNZVYZCPYPBO-UHFFFAOYSA-N
-rxn:4:200380:224312,Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)o1,PFRXZGZBJPOMAX-UHFFFAOYSA-N
-rxn:4:200384:222724,O=C(CCc1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,YZMPWXGTSGZFKA-UHFFFAOYSA-N
-rxn:4:200386:222724,O=C(Cc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,DIMMVNQQNQAKIZ-UHFFFAOYSA-N
-rxn:4:200386:225428,CCCCC(=O)c1ccc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c(C)c1,MTUOBQFLRGZPRZ-UHFFFAOYSA-N
-rxn:4:200400:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4F)cc3)c(F)cc(F)c2s1,MGSNWQRDCAPOSZ-UHFFFAOYSA-N
-rxn:4:200431:222482,Cc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N4CCC(CSC5=NCCS5)CC4)o3)cc2F)c(C)c1,NORFUEJRDIGXGT-UHFFFAOYSA-N
-rxn:4:200459:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)CN4C(=O)C(=O)N(Cc5cccc(Cl)c5)C4=O)cc3)cn2)CC1,XUHGENPUUBNKTE-UHFFFAOYSA-N
-rxn:4:200478:222971,Cc1cc(-c2ccc(NC(=O)C(C)(C)C)cc2)cnc1OC1CN(C(=O)OC(C)(C)C)C1,TWJAIEVVKUSERE-UHFFFAOYSA-N
-rxn:4:200519:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)nc1,YLLZUKSNFGQGFM-NRFANRHFSA-N
-rxn:4:200520:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)C2)cc1,KZJDOLMPUFJXGO-UHFFFAOYSA-N
-rxn:4:200564:222944,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c1)N1CCC(CSC2=NCCS2)CC1,WPWIVNQQKMGISH-UHFFFAOYSA-N
-rxn:4:200564:225726,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)cc1OC,BLENBFGWACTEBH-UHFFFAOYSA-N
-rxn:4:200566:225220,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cnc(N2CCCCC2C)c(Cl)c1,NVPQYHZDHGARTM-UHFFFAOYSA-N
-rxn:4:200574:228423,COc1c(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C(C)C)CC3)c2)ccc(Cl)c1F,BKTYIZSUMUVPGA-UHFFFAOYSA-N
-rxn:4:200577:224407,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,BUEFBQIVVXUMBW-UHFFFAOYSA-N
-rxn:4:200596:225898,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnn(CCN4CCOCC4)c3)n2)CC1,RGWCRACGZWREIQ-UHFFFAOYSA-N
-rxn:4:200602:225894,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(COCC(F)(F)F)c3)cn2)CC1,CONDZIJMUQDMTA-UHFFFAOYSA-N
-rxn:4:200661:225830,Cc1nc(N2CCCCC2)ncc1-c1cccc(F)c1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,JFKFDJAMZBUBJG-UHFFFAOYSA-N
-rxn:4:200673:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(COc3ccncc3)C2)cc1S(=O)(=O)NC1CCCC1,SGDPWKXWQMKZHN-UHFFFAOYSA-N
-rxn:4:200716:222839,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(NCC3CCCCC3)nc2)CC1,APMZMOHSHFBYTD-UHFFFAOYSA-N
-rxn:4:200724:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,LDHFBPHQNYXRPI-UHFFFAOYSA-N
-rxn:4:200732:227986,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)c(C4CC4)c3)ccc2C(F)(F)F)CC1,KKEBDPPODFJVTQ-UHFFFAOYSA-N
-rxn:4:200735:227516,CC(C)Oc1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)c(Cl)cn1,AFPMBJNITTXPPU-UHFFFAOYSA-N
-rxn:4:200749:223672,O=S(=O)(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2COc2cc(C(F)(F)F)ccc2Cl)cc1,SDIQABKAZUNKMD-UHFFFAOYSA-N
-rxn:4:200762:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)c2ccccc12,GNXIVDMJJNEOOF-UHFFFAOYSA-N
-rxn:4:200773:222935,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NN2S(C)(=O)=O)c1,HSMHQBSMDKKIFN-UHFFFAOYSA-N
-rxn:4:200774:222935,COc1cccc(C2CC(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NN2S(C)(=O)=O)c1OC,NDAHBUGJMMFQET-UHFFFAOYSA-N
-rxn:4:200775:222935,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)SC2=S)cc1,UNZRSJYRRHFSEJ-UHFFFAOYSA-N
-rxn:4:200775:224746,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)SC2=S)cc1,ANQIRCAZAAPIPW-UHFFFAOYSA-N
-rxn:4:200788:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c2)cc1F,TXBQSTKQDRRQGK-UHFFFAOYSA-N
-rxn:4:200804:222935,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC2(C)C)cc1OC,NQINRUCWPZDMOX-UHFFFAOYSA-N
-rxn:4:200807:222935,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,OUBZSMMLVFTERF-UHFFFAOYSA-N
-rxn:4:200818:222935,C[C@H]1CN(Cc2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,VAOYLMFJCDZDCH-IBGZPJMESA-N
-rxn:4:200829:225755,COC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2OC)cc(C2CC2)n1,RWUOMLRBHUBXTP-UHFFFAOYSA-N
-rxn:4:200864:226865,C[C@@H]1CN(Cc2cccc(-c3ccc(Cl)c(OC(F)(F)F)c3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,APPMGMXGKLRCAN-DLBZAZTESA-N
-rxn:4:200865:226655,CC(c1cccc(-c2cc(Cl)cnc2N2CCCC2)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,IBLNJZWXHUCWOQ-UHFFFAOYSA-N
-rxn:4:200867:223288,CNS(=O)(=O)c1cccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2C)c1,RJILAWJZJJTSRQ-UHFFFAOYSA-N
-rxn:4:200876:222935,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC23CCCC3)cc1OC,HXVUGBUHPMWZCV-UHFFFAOYSA-N
-rxn:4:200885:228653,COC(=O)C1CCN(Cc2ccc(-c3cnn4c3CCCC4)cc2N2CCCCC2)CC1,BNSDNPYOPLZCBB-UHFFFAOYSA-N
-rxn:4:200893:225053,CCOc1ccc(-c2ccc(N3CCCCC3C)cc2F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,CYVXJFQEXKSJSL-UHFFFAOYSA-N
-rxn:4:200898:224683,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1cc(F)cc(C(=O)N2CCCCC2)c1,KNPSDUWWZSYXSO-UHFFFAOYSA-N
-rxn:4:200904:224746,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)=NC23CCCCCC3)cc1OC,XJNMODYUUSEGPD-UHFFFAOYSA-N
-rxn:4:201013:224660,CCCN1C(SCc2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2)=NS(=O)(=O)c2ccccc21,KWXABZJRZNXPHE-UHFFFAOYSA-N
-rxn:4:201034:222935,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc21)c1ccccc1,CKDZSCVGRIHJPP-UHFFFAOYSA-N
-rxn:4:201034:224683,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)ccc21)c1ccccc1,NNKWYIGPXUAWTD-UHFFFAOYSA-N
-rxn:4:201072:224920,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cc(-c5ccc(Cl)cc5)ccc4C)ccc3OC)N2C1=O,UXVJWYQLLXYJOY-UHFFFAOYSA-N
-rxn:4:201081:223695,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccc21,ANNZTFXCCPTCPG-UHFFFAOYSA-N
-rxn:4:201102:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C3C(C(=O)OCC(C)C)=C(C)N=C4SCCC(=O)N43)cc2Cl)CC1,DGUFLLYXYLBCOI-UHFFFAOYSA-N
-rxn:4:201118:228096,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(OCCF)cc3)ccc21,FGCPSNTUSIVNNS-UHFFFAOYSA-N
-rxn:4:201123:222737,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cccc(NC(=O)c4ccccc4)c3)ccc21,SEOQLBNGKKBACG-UHFFFAOYSA-N
-rxn:4:201142:222639,CCc1cc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,XSMMUNJJYMZTPF-QHCPKHFHSA-N
-rxn:4:201147:222935,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc21,MSLZRAWVEQAMJM-UHFFFAOYSA-N
-rxn:4:201589:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N(C)CCN(C)C)cc3)cc2C)CC1,SUFXWIPVSUQDEO-UHFFFAOYSA-N
-rxn:4:201659:223608,N#CCC(=O)C1CCCN(c2ccccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)C1=O,QEQPHXDGAUHKGT-UHFFFAOYSA-N
-rxn:4:201738:224337,N#CC1CCN(CCc2ccc(F)c(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)c2)CC1,LJRHLDWLTVPHBD-UHFFFAOYSA-N
-rxn:4:201746:222927,Cc1nc(N2CCCCC2O)ncc1-c1cccnc1OC1CCN(S(=O)(=O)C2CC2)C1,IYBAPIRHYRERFE-UHFFFAOYSA-N
-rxn:4:201765:222724,O=C(c1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,AJTVHRFYBQCPFK-UHFFFAOYSA-N
-rxn:4:201772:222776,COC(=O)CC1CCCCN1c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cn1,RKALQUYWPMKPPB-UHFFFAOYSA-N
-rxn:4:201790:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,BJMYFPQTCJTYQK-UHFFFAOYSA-N
-rxn:4:201796:225288,CC(C)Oc1ccc(-c2ccc(Cl)c(OCC(=O)N3CCN(C)CC3)c2)c(C(F)(F)F)c1,SNZIBZXDBQIOQO-UHFFFAOYSA-N
-rxn:4:201798:222935,Cc1cc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,HQEMYIPTILWNDB-UHFFFAOYSA-N
-rxn:4:201899:226831,CCCn1cc(-c2cc(C(=O)OC)cc(C(=O)N3CCN(C)CC3)c2)c(C(F)(F)F)n1,HBCKQPDAKAYXMN-UHFFFAOYSA-N
-rxn:4:201941:224616,CC(C)(C)SC1CCN(C(=O)c2cncc(-c3ccccc3OCCN3CCOCC3)c2)C1,GAAPFUHPWFDNHT-UHFFFAOYSA-N
-rxn:4:201947:225191,CC(C)(C)OC(=O)c1cc(-c2cnc(OC3CCCCC3)cc2F)cnc1N1CCCC1,RQNSEMRWLZWKGZ-UHFFFAOYSA-N
-rxn:4:201948:222834,CCC(CC)NC(=O)c1ccc(-c2cc(C(=O)OC)cc(N3CCN(CC)CC3)c2)cc1,YZFULHJDSYAEIH-UHFFFAOYSA-N
-rxn:4:201960:225310,CCN1CCN(Cc2cc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)cc(C(F)(F)F)c2)CC1,JSNMAOCZZBJUOD-UHFFFAOYSA-N
-rxn:4:201961:225975,CCN1CCN(c2cc(-c3ccnc(N4CCOCC4)c3Cl)c(C(=O)OC)cc2F)CC1,GZPMMTUZJYIYHF-UHFFFAOYSA-N
-rxn:4:202004:223008,CCOc1ccc(-c2cc(C3CCNCC3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,IPZPWQSSHMEWEG-UHFFFAOYSA-N
-rxn:4:202011:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)c2ccccc12,CTNKCEVHPRIZNS-UHFFFAOYSA-N
-rxn:4:202023:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3cc(CN4CCN(C5CC5)CC4)cc(C(F)(F)F)c3)ccc2c1,KJURFICFXOPRFI-UHFFFAOYSA-N
-rxn:4:202069:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,YHDYWPXQKGWSAE-UHFFFAOYSA-N
-rxn:4:202076:224746,CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)o2)CC1,PVWYNSVXCBOPRB-UHFFFAOYSA-N
-rxn:4:202099:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)c2ccccc12,GHZNTQGGTVENTQ-UHFFFAOYSA-N
-rxn:4:202118:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCCCC3)c(C(=O)OC(C)(C)C)c2)cc1,SPXWAPBEGCCWOE-UHFFFAOYSA-N
-rxn:4:202122:222819,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(NC(=O)N2CCOCC2)nc1,POUMGOMYYKFFJE-UHFFFAOYSA-N
-rxn:4:202128:224718,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)c2Cl)CC1,YCTIVPYPUNYMLB-UHFFFAOYSA-N
-rxn:4:202129:225173,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)N4CCCC4)cc3F)c(F)n2)CC1,WAARGESAXIIYHR-UHFFFAOYSA-N
-rxn:4:202152:222695,Cc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1,KHOPXLCTWROOFD-UHFFFAOYSA-N
-rxn:4:202159:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N=C(c4ccc(Cl)cc4)N4CCOCC4)cc3)cn2)CC1,FPEHYJLINJFRQN-UHFFFAOYSA-N
-rxn:4:202163:222468,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,MFFLBYFFQREJMI-UHFFFAOYSA-N
-rxn:4:202167:222864,CC(C)NCCOc1ccc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)cc1F,VWTRHGXTADBQRV-UHFFFAOYSA-N
-rxn:4:202185:224746,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)=NC2(C)C)cc1,NCDDFMSMZLVCBN-UHFFFAOYSA-N
-rxn:4:202206:222522,COc1ccc(-c2cccc(Cn3cc(S(=O)(=O)N4CCCCC4)ccc3=O)c2)cc1S(=O)(=O)N1CCC(O)CC1,YJSBCRDFZGBWNY-UHFFFAOYSA-N
-rxn:4:202228:223825,COc1c(C(=O)N2CCN(C)CC2)cc(C(C)C)cc1-c1cnc(OCc2ccccc2)c(C(F)(F)F)c1,PQXYKMYMRWJKPC-UHFFFAOYSA-N
-rxn:4:202237:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)c1,SYMYMBZTJPKXPN-UHFFFAOYSA-N
-rxn:4:202253:224746,CCC1(C)N=C(c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,CPUCKUDVBXXBEO-UHFFFAOYSA-N
-rxn:4:202279:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3C)cn2)CC1,QKWMANRISKJQHA-UHFFFAOYSA-N
-rxn:4:202287:225877,O=C(c1ccccc1-c1ccc(Cl)cc1N1CCOCC1)N1CCCSCC1CN1CCOCC1,JWCPJWGQBDAFLK-UHFFFAOYSA-N
-rxn:4:202291:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,CJKAVQHYXGOYGL-UHFFFAOYSA-N
-rxn:4:202294:225011,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cccc(C2(C#N)CCCC2)c1F,BBTCXKHEFDHHHV-UHFFFAOYSA-N
-rxn:4:202301:222514,COc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1S(=O)(=O)NC1CCCCC1,YFZHFCYPOZNGIF-UHFFFAOYSA-N
-rxn:4:202304:222539,Cc1ccc(C2=NN(C(=O)c3ccc(-c4ccc5c(c4)CC(NC(=O)OC(C)(C)C)C5)o3)C(c3ccc(C)cc3)C2)cc1,NXFGQOZGCHSJGS-UHFFFAOYSA-N
-rxn:4:202309:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)c1,WZFCWGKQFCSWKM-UHFFFAOYSA-N
-rxn:4:202324:222715,Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c1,ZJRJZDJFVHDZPY-UHFFFAOYSA-N
-rxn:4:202328:223175,CCS(=O)(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c1,IJBGFYLJUXYACA-UHFFFAOYSA-N
-rxn:4:202329:226034,COc1cc(C)c(-c2cc(Cl)c(OC)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,HEXQKFPNTCHFLP-UHFFFAOYSA-N
-rxn:4:202335:222935,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC23CCCCC3)cc1,JHXHKULFAKZOOG-UHFFFAOYSA-N
-rxn:4:202353:222923,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1ccc(C)c(S(=O)(=O)NC2CC2)c1,IKMVAWIALHEDHI-UHFFFAOYSA-N
-rxn:4:202521:224959,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(OCC4CCCCO4)cc3)ccc([N+](=O)[O-])c2C1,IUJBRZSMBRVUFG-UHFFFAOYSA-N
-rxn:4:202621:223712,COCCn1c(-c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)nc(=S)c2c1CCCC2,RBLPHIXQTVBKIX-UHFFFAOYSA-N
-rxn:4:202676:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)cc1,ASXSVAGKMSPVPP-UHFFFAOYSA-N
-rxn:4:202681:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)CC1,AXEVGVKTULQCGI-UHFFFAOYSA-N
-rxn:4:202690:222935,CC1Oc2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,ADDZVMJVCPRMDE-UHFFFAOYSA-N
-rxn:4:202707:226996,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(SCC5CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,PQJVGJXOOXKFMP-UHFFFAOYSA-N
-rxn:4:202726:228566,CC(C)Cc1sccc1-c1ccc2c(c1)CCN2C1CCN(C(=O)OC(C)(C)C)CC1,XENQEWUJWUQEEE-UHFFFAOYSA-N
-rxn:4:202729:222764,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(NC(=O)c4cccnc4)c3)ccc21,JKOOBNLWBKDCDJ-UHFFFAOYSA-N
-rxn:4:202730:224746,COc1ccccc1N1CCN(C(=O)c2oc3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3c2C)CC1,TTWCVNFIRBYRNG-UHFFFAOYSA-N
-rxn:4:202740:225276,CCCOc1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1C(F)(F)F,UCCZVIBVGXRRSE-UHFFFAOYSA-N
-rxn:4:202752:224758,O=C(c1ccc(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(C=Cc5ccccc5)C4C3=O)cc2)cc1Cl)N1CCOCC1,SVFCZIWHTWSXDO-UHFFFAOYSA-N
-rxn:4:202752:224964,O=C1C2ON(c3ccccc3)C(C=Cc3ccccc3)C2C(=O)N1c1ccc(-c2ccc(COC3CCOCC3)cc2)cc1,TULALUYOGKTVOM-UHFFFAOYSA-N
-rxn:4:202755:225255,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cc(C(F)(F)F)c5ncccc5c4)ccc3OCC2=O)CC1,KLMFCZWAAWRVCE-UHFFFAOYSA-N
-rxn:4:202764:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccccc3C(=O)ON3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cn2)C1,LDHWZPQDJMQJJI-UHFFFAOYSA-N
-rxn:4:202794:223973,COC(=O)c1ccc(C2Oc3ccc(-c4ccc(N5CCCC(C)C5)cc4C(F)(F)F)cc3C3CC(c4ccc(C)o4)=NN32)cc1,MUBBLXGAQOCKPV-UHFFFAOYSA-N
-rxn:4:202877:223541,N#CCc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1[N+](=O)[O-],GOMJTNSPHXVNHU-UHFFFAOYSA-N
-rxn:4:203184:223670,CSC1=NCCN1C(=O)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)o1,MAMZMNZPGWCYRB-UHFFFAOYSA-N
-rxn:4:203244:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(F)n2)cc1,WBIIRXUJWWSLRB-UHFFFAOYSA-N
-rxn:4:203283:223638,CN(C)Cc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c([N+](=O)[O-])c1,NIWBUHRVDBBWKF-UHFFFAOYSA-N
-rxn:4:203417:223505,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)n1ccnc1,BYWHJZZQJMUMBJ-UHFFFAOYSA-N
-rxn:4:203451:223712,COc1ccc(-c2c[nH]nc2OCC2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,ZAPLHKNJFQQLKF-UHFFFAOYSA-N
-rxn:4:203566:223712,COC(=O)c1[nH]c(C2CCOCC2)nc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,UPUSZQZAHBCCMI-UHFFFAOYSA-N
-rxn:4:203573:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3C(C#N)N3CCOCC3)c2)CC1,DBDUCKMHMGTZLE-UHFFFAOYSA-N
-rxn:4:203592:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cn2)CC1,ITKOGGKRCHBDMD-UHFFFAOYSA-N
-rxn:4:203593:224649,O=C(c1cc(-c2cc(F)ccc2OCC2CCCCO2)cc([N+](=O)[O-])c1)N1CCSCC1,JOOSULSBZGMHIC-UHFFFAOYSA-N
-rxn:4:203597:224018,O=C(c1cc([N+](=O)[O-])ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1)N1CCOCC1,QAFKBPCYYZUIJQ-UHFFFAOYSA-N
-rxn:4:203622:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(-c3ccc(S(C)(=O)=O)cc3)c([N+](=O)[O-])c2)CC1,BQANLKATLPRSKB-UHFFFAOYSA-N
-rxn:4:203638:223712,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,OPQXNBRMWCOEDG-UHFFFAOYSA-N
-rxn:4:203638:224155,CN1CCN(c2cc(-c3ccc(S(=O)(=O)NN4CCOCC4)cc3)cc(C3CC3)c2)CC1,ZMUIGDAORIXOKT-UHFFFAOYSA-N
-rxn:4:203730:224022,COc1ncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C(=O)N1CCCCC1,GJOZLUZOHOHOMW-UHFFFAOYSA-N
-rxn:4:203731:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,FWSSAJJZKQXKIN-UHFFFAOYSA-N
-rxn:4:203739:222777,OC1CCN(Cc2ccc(-c3ccc(N4CCN(CC(F)(F)F)CC4)cc3)cc2Cl)CC1,ZFQXVFFZUNZPCE-UHFFFAOYSA-N
-rxn:4:203748:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)n1nc(C)cc1C,TXDGUXGYORWBFY-UHFFFAOYSA-N
-rxn:4:203792:222465,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,FHDOLVVMMUFBIO-UHFFFAOYSA-N
-rxn:4:203835:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccco3)C2)cc1,GOKSVSGEBIGTKO-UHFFFAOYSA-N
-rxn:4:203873:224406,CCN1CCN(Cc2cccc(F)c2-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1,UAYCBBNDEYLABN-UHFFFAOYSA-N
-rxn:4:203878:222785,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC1,VWMGKCXNGKKVGD-UHFFFAOYSA-N
-rxn:4:203887:222537,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)CC1,RSLWXRVMVFMUMU-UHFFFAOYSA-N
-rxn:4:203891:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(C(=O)N2CC(N3CCCC3)C2)c1,CEIUMQMRATYOJV-UHFFFAOYSA-N
-rxn:4:203909:225636,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccnc(N3CCC(C)CC3)c2)CC1,DQSOHFRBZWIWSO-UHFFFAOYSA-N
-rxn:4:203909:225825,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)CC3)nc2)CC1,YWEIROIRCASJMG-UHFFFAOYSA-N
-rxn:4:203937:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,ZRLBDWSHWMRSRV-UHFFFAOYSA-N
-rxn:4:203938:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,SCPZIWKZELDOBU-UHFFFAOYSA-N
-rxn:4:203961:224757,CCc1cc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)ccc1C(=O)N1CCN(C)CC1,UKOLIIHPLSRIIV-UHFFFAOYSA-N
-rxn:4:204009:224746,CC(=O)N1CCN(c2ccc(-c3cc(F)cc(CN4CCN(C(C)C)CC4)c3)cn2)CC1,XTKWXFNOTGBYED-UHFFFAOYSA-N
-rxn:4:204011:222723,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,DHWQSBZKCZPUCX-UHFFFAOYSA-N
-rxn:4:204026:224878,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccccc2COC2CCCCC2)CC1,VEBWVGPBZLGEAH-UHFFFAOYSA-N
-rxn:4:204047:223834,Cc1cc(-c2ccc(C3=NC(C)(C)N(C(=O)c4ccccc4)C3=S)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,AWYPWMDNPINWEI-UHFFFAOYSA-N
-rxn:4:204066:222919,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1,JYJYFYNCCPUKSS-UHFFFAOYSA-N
-rxn:4:204096:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C(C)N3CCN(C(C)C)CC3)c2)c1,QHUKZBNGOWQTIG-UHFFFAOYSA-N
-rxn:4:204101:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CCC(N2CCCC2)CC1,GIDIBLBQSYAFSM-UHFFFAOYSA-N
-rxn:4:204116:224459,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)ccc1N1CCCC1,ZHOCLCHWIJJTIR-UHFFFAOYSA-N
-rxn:4:204118:223601,COc1ccc(COc2ncc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)cc2C(F)(F)F)cc1,OXXKCKCQTXKBOI-UHFFFAOYSA-N
-rxn:4:204127:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1,RVBUVUQUWWMKRR-UHFFFAOYSA-N
-rxn:4:204135:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1F,DKJZAENGIVSIAW-UHFFFAOYSA-N
-rxn:4:204157:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3)cn2)CC1,BQITWXQSESMYFX-UHFFFAOYSA-N
-rxn:4:204158:225294,CCN1CCN(c2ncc(-c3cc(Cl)c(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)cn2)CC1,HFWZCMNCPHFBDS-UHFFFAOYSA-N
-rxn:4:204159:224991,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(C2CC2)nc(N2CCCC2)c1,VIOKJBMXCROVRG-UHFFFAOYSA-N
-rxn:4:204159:225047,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCC(C)CC2)c(C)c1,TWEUAAQUXSKDHL-UHFFFAOYSA-N
-rxn:4:204160:225294,CCN1CCN(c2ncc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1,VPDXCBPCATYNSK-UHFFFAOYSA-N
-rxn:4:204161:222935,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC23CCCC3)cc1,HVPGJLOSDDIMAN-UHFFFAOYSA-N
-rxn:4:204161:223094,CC(=O)Nc1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(C)cc4)C3=S)cc2)ccc1[N+](=O)[O-],XYNKUJRNTFJRDH-UHFFFAOYSA-N
-rxn:4:204161:224399,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(N5CCOCC5)cc4C(F)(F)F)cc3)=NC23CCCC3)cc1,DJNJMBVVJOTPSU-UHFFFAOYSA-N
-rxn:4:204163:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCCC4)cc2)cc1,KWIXTKKLBIQWMG-UHFFFAOYSA-N
-rxn:4:204166:223699,CC1CCCCN1Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1N1CCOCC1,DSFAIRGMTYFQOD-UHFFFAOYSA-N
-rxn:4:204167:223817,CC1CCCN(Cc2ccc(-c3cnn(CCN4C(=O)c5ccccc5C4=O)c3)cc2N2CCOCC2)C1,OJIOVHWHQMUVPW-UHFFFAOYSA-N
-rxn:4:204174:225859,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCC5)c(Cl)c4)cc3C)CC2)cc1Cl,NZRIQQVZMIGPAP-UHFFFAOYSA-N
-rxn:4:204176:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1,WUMJUEALLYIOIY-UHFFFAOYSA-N
-rxn:4:204177:224683,O=C(c1cc(F)cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)c1)N1CCCCC1,JTBMGYXWEXTJEE-UHFFFAOYSA-N
-rxn:4:204184:226364,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccc(N2CCCCC2)nc1,REUWNVIYBHVVPI-UHFFFAOYSA-N
-rxn:4:204184:226366,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccnc(N2CCCCC2)c1,ATMPZXAOEAWYHK-UHFFFAOYSA-N
-rxn:4:204184:226395,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cncc(N2CCCCC2)c1,SWNHPBNGOZEKMH-UHFFFAOYSA-N
-rxn:4:204513:222648,Cc1cc(C)c(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C,NRJNTFMHFIDROW-UHFFFAOYSA-N
-rxn:4:204556:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c(F)c1,LFVIOTHYMHTOOT-UHFFFAOYSA-N
-rxn:4:204596:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,MUHROJHLWUCRKH-KRWDZBQOSA-N
-rxn:4:204603:224484,CC(C)N(C(=O)c1ccccc1-c1cncc2c1CCN(C(=O)OC(C)(C)C)C2)C(C)C,YEPHUYDXAOCYFW-UHFFFAOYSA-N
-rxn:4:204609:223569,COC(=O)c1nn(C2CCCCO2)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c12,SDLBCNUQZLTLQD-UHFFFAOYSA-N
-rxn:4:204648:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,DDXVARMYLDBREO-UHFFFAOYSA-N
-rxn:4:204683:225747,Cc1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)n1C(=O)OC(C)(C)C,JENUMPIYCORUAQ-UHFFFAOYSA-N
-rxn:4:204694:226449,CC1(c2ccccc2-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)OCCO1,PZJUPNZOGRMIBW-UHFFFAOYSA-N
-rxn:4:204695:228678,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccnn2CC(C)C)c1,FZQBFHZAKMGXDZ-UHFFFAOYSA-N
-rxn:4:204697:222913,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1,LNSXGHDQFGJYRB-UHFFFAOYSA-N
-rxn:4:204722:227525,CCc1cnc(C(F)F)cc1-c1cccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)c1,HHVXLCSAPABSGU-UHFFFAOYSA-N
-rxn:4:204723:227815,CCC(C)c1ccccc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,INWUVQWMQLRBEK-UHFFFAOYSA-N
-rxn:4:204780:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1,DWORACLRYPCXKA-UHFFFAOYSA-N
-rxn:4:204780:226991,CCC(C)Cc1cncc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,TXPGOQQJLAUXHY-UHFFFAOYSA-N
-rxn:4:204791:224481,COc1ccccc1N1C(=O)N(c2cccc(-c3ccc(OCCCN4CCCC4)cc3)c2)C2CS(=O)(=O)CC21,ABNSVDBKXMDXQY-UHFFFAOYSA-N
-rxn:4:204799:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)cc1,LSUPTUYFCIHFEH-UHFFFAOYSA-N
-rxn:4:204816:223978,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)ccc21,YLFAXPWHQHHUKS-UHFFFAOYSA-N
-rxn:4:204832:224377,Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)ccc3oc2=O)CC1,SERSZKYEQYMFOJ-UHFFFAOYSA-N
-rxn:4:204838:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)C5ON(c6ccccc6C)C(c6ccco6)C5C4=O)cc3)cn2)CC1,DBTAFVNAVFFJFF-UHFFFAOYSA-N
-rxn:4:204866:222935,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)c3ccccc3S2(=O)=O)CC1,KGHWYEKLHZHVIW-UHFFFAOYSA-N
-rxn:4:204867:224327,CC1CCN(C(=O)C2=CN(c3cccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,ZSYNJCVDKLWDLD-UHFFFAOYSA-N
-rxn:4:204870:225303,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1,ZTVSUALDIMAJIZ-UHFFFAOYSA-N
-rxn:4:204877:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3C)cc2)CC1,GHXHUIKYDIWZMB-OGESRWMOSA-N
-rxn:4:204914:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c4c([nH]c3c2)CCCN(C(=O)OC(C)(C)C)C4)c(C(C)C)c1,AUURZAJATOFDKO-UHFFFAOYSA-N
-rxn:4:204915:224769,CCC1Oc2c(OC)cc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2C2CC(c3ccc(Cl)cc3)=NN12,GNELNBBFFIKGPC-UHFFFAOYSA-N
-rxn:4:206215:223712,COc1ccc(-c2cc(Cl)cnc2C(=O)N2CCCC2)cc1C12CC3CC(CC(C3)C1)C2,JTIHVFDVDJNGCK-UHFFFAOYSA-N
-rxn:4:206351:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccn2)CC1,NNBRENKLJSXQPH-UHFFFAOYSA-N
-rxn:4:206411:223712,COc1ccc(-c2ccc(C3(C#N)CCOCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,PUINZTJXUFKRJU-UHFFFAOYSA-N
-rxn:4:206501:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(OC5CCCC5)nc4C)c3C(=O)C1C2(C)C,KAKVQCXEPBIOSA-UHFFFAOYSA-N
-rxn:4:206507:223699,O=[N+]([O-])c1ccc(N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,RKGSQEOMISHMBI-UHFFFAOYSA-N
-rxn:4:206574:222613,CCCNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)n(C)c2)c(C(F)(F)F)c1,YZXHAYRIGNTFRI-UHFFFAOYSA-N
-rxn:4:206674:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cn(C2CCOC2)c(C(C)C)n1,IAPADJLBNCOWAB-UHFFFAOYSA-N
-rxn:4:206694:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C2CCCN2S(C)(=O)=O)n1,MAFQRDKOXWUNLN-UHFFFAOYSA-N
-rxn:4:206697:223867,CC1CCN(CCCOc2cccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)c2)CC1,MFHHXXPOUPGBOK-UHFFFAOYSA-N
-rxn:4:206744:224795,CCN(CC)S(=O)(=O)c1cc(-c2cccc(N3CCCC(F)(F)C3)c2[N+](=O)[O-])ccc1F,ZCASDYDWHRRXDC-UHFFFAOYSA-N
-rxn:4:206807:225050,CC1CCN(c2cc(F)cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c2)CC1,LHVJIRHDHONLKD-UHFFFAOYSA-N
-rxn:4:206853:223999,CC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc2C#N)CC1,FLIYZZVCGDGPDM-UHFFFAOYSA-N
-rxn:4:206948:223588,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FCGBIIZFLYIEOG-UHFFFAOYSA-N
-rxn:4:206958:224377,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn2)CC1,YILFTVKIXJKVNY-UHFFFAOYSA-N
-rxn:4:206960:224187,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc2)CC1,NPFATPBKFMLUTK-UHFFFAOYSA-N
-rxn:4:206984:222583,CC1CCCN(c2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,FUKSHPVVPWLPBZ-UHFFFAOYSA-N
-rxn:4:206984:224609,CC1CCCN(c2cc(C(F)(F)F)c(-c3cnccc3C(=O)N(C(C)C)C(C)C)cn2)C1,RWCZZOGXSDMLSI-UHFFFAOYSA-N
-rxn:4:207061:222804,CN1CCCN(S(=O)(=O)c2cccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)c2)CC1,KWQDBZAUJGNKKV-UHFFFAOYSA-N
-rxn:4:207072:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CC4)c(N4CCN(C)CC4)c3)cc2C)CC1,DBUCINKQSVRINI-UHFFFAOYSA-N
-rxn:4:207081:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,FPUZHAXHAHCTKU-UHFFFAOYSA-N
-rxn:4:207081:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(Cl)c2)CC1,MFLJXQLFTRSQJD-UHFFFAOYSA-N
-rxn:4:207085:225313,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(C)CC2)nc1F,BACZXSSQSBDYOU-UHFFFAOYSA-N
-rxn:4:207447:222522,COc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCC(O)CC1,DCPKOUAMXNRKHJ-UHFFFAOYSA-N
-rxn:4:207788:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4SC[C@H]5C(=O)N(c6ccc(Cl)cc6)C(=S)N45)cc3)c(F)c2)CC1,KSMQUQBKRCDVLU-TZYYSAMKSA-N
-rxn:4:207796:222624,CC(C)Cc1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCN(C)CC4)cc3c2)cc(C2CCNCC2)n1,LWJJQZQMTZQJLK-UHFFFAOYSA-N
-rxn:4:207815:225285,Cc1cc2c(c(C)nn2C2CCCCO2)c(-c2cnc(CC(C)C)c(C(F)(F)F)c2)c1C(F)(F)F,ZCVMVHZLVRKRQH-UHFFFAOYSA-N
-rxn:4:207832:222935,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)C2=O)c2ccccc21,CGRWPIUOOOHLEC-UHFFFAOYSA-N
-rxn:4:207856:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,VMCAPTDCPDJDMZ-UHFFFAOYSA-N
-rxn:4:207890:225199,Cc1c(-c2cc(F)c(OC3CCCC3)c(F)c2)cnn1CC12CC3CC(CC(C3)C1)C2,CXCYYWPRXPDVJC-UHFFFAOYSA-N
-rxn:4:207959:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(C)cc5)=NN3C(C3CCCCC3)O4)cn2)CC1,YAYWUQYYTPOIKZ-UHFFFAOYSA-N
-rxn:4:209829:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(N4CCCC(C)C4)ccn3)c2)C1,RZXRYKUGHIYTAL-UHFFFAOYSA-N
-rxn:4:210863:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc4sc(N5CCOCC5)nc34)c2Cl)CC1,VZERNIYVKBCEQP-UHFFFAOYSA-N
-rxn:4:211033:223492,Cc1cc(-c2cnc(N3CC4CCCC4C3)c(C)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CYFLPMJOTDDVGJ-UHFFFAOYSA-N
-rxn:4:211061:224261,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc21,WBTSSJMZIUWJJL-UHFFFAOYSA-N
-rxn:4:211099:222935,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)ccc2OC32CCCC2)cc1,MIQFGWPLDTXGEV-UHFFFAOYSA-N
-rxn:4:211101:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(C)cc5)=NN3C3(CCC(C)CC3)O4)cn2)CC1,KEYFAYKPCYDYIC-UHFFFAOYSA-N
-rxn:4:212514:224129,CN(C(=O)c1cccc(-c2cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n2)c1)C1CCCCC1,QLTPIVWKQUERTF-UHFFFAOYSA-N
-rxn:4:212524:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)o3)cn2)CC1,NXNRSQOQVBCZLC-UHFFFAOYSA-N
-rxn:4:212539:224848,CCN(Cc1c(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cnn1C)C(=O)OC(C)(C)C,SZXAKHKXPFUOKV-MXVIHJGJSA-N
-rxn:4:212541:225984,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)C1,QTSZRXXFMHPMOD-UHFFFAOYSA-N
-rxn:4:212560:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2F)CC1,ATVGDMXXIFUTOV-UHFFFAOYSA-N
-rxn:4:212565:223945,O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,WKOVOFUDESYHBS-UHFFFAOYSA-N
-rxn:4:212568:222396,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc1,AQRJWMXENAUKJU-UHFFFAOYSA-N
-rxn:4:212568:222411,CNC(=S)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,VHFIDQBXPUNUSX-UHFFFAOYSA-N
-rxn:4:212568:222412,CNC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SKTVZOPGQIHPKP-UHFFFAOYSA-N
-rxn:4:212568:222430,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1,BPPKESXHGCUTIW-UHFFFAOYSA-N
-rxn:4:212568:222436,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)cc1,NENYEPBHBDGOQX-UHFFFAOYSA-N
-rxn:4:212568:222438,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1,KMTROBZJXMXORV-UHFFFAOYSA-N
-rxn:4:212568:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,SLIGRJCLQCATRC-UHFFFAOYSA-N
-rxn:4:212568:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2c1,HMASVMMASDUXRP-UHFFFAOYSA-N
-rxn:4:212568:222476,Cc1cccc(CNC(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)c1,HHYKGOOBWVOQFE-UHFFFAOYSA-N
-rxn:4:212568:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2F)cc1,WPBXTXFCJPFSDI-UHFFFAOYSA-N
-rxn:4:212568:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UMZMSSAPXDBLIM-UHFFFAOYSA-N
-rxn:4:212568:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)c1,XISNSFORILKWTN-UHFFFAOYSA-N
-rxn:4:212568:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)c(C)c1,NMHOVWOQVNTNPP-UHFFFAOYSA-N
-rxn:4:212568:222490,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(NC(=O)OCc3ccccc3)c2)cc1,NEJWDYJYAQELMG-UHFFFAOYSA-N
-rxn:4:212568:222506,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2Cl)cc1,RHFNKOTXYLATKV-UHFFFAOYSA-N
-rxn:4:212568:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VERXJEQXDXGCEZ-UHFFFAOYSA-N
-rxn:4:212568:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)c(C)c1,POYXVGNOELADCA-UHFFFAOYSA-N
-rxn:4:212568:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)c1,IZOGRHKKZMRNGU-UHFFFAOYSA-N
-rxn:4:212568:222548,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1,UZOINFJUEPUXPQ-UHFFFAOYSA-N
-rxn:4:212568:222549,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1NCC(=O)c1ccccc1,MKZCLYQIVINXNF-UHFFFAOYSA-N
-rxn:4:212568:222562,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1,NNRFUASLNLEPDE-UHFFFAOYSA-N
-rxn:4:212568:222566,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)NCc3ccccc3F)c2)cc1,UHTPZYRTUKJCTF-UHFFFAOYSA-N
-rxn:4:212568:222568,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1,SHQRNNBHPTULCT-UHFFFAOYSA-N
-rxn:4:212568:222572,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNC(=O)c3cccc(F)c3)cc2)cc1,LBZMQQJBGYHQIF-UHFFFAOYSA-N
-rxn:4:212568:222612,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1,RLBUBVQQKYXHSB-UHFFFAOYSA-N
-rxn:4:212568:222622,CCC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCCNC2)n1,OESSVOACXVWIHA-UHFFFAOYSA-N
-rxn:4:212568:222624,CC(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,RJEIBRQFBRXEIJ-UHFFFAOYSA-N
-rxn:4:212568:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JLSFXCGRKULMIY-UHFFFAOYSA-N
-rxn:4:212568:222716,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1,XEROKECLXWBEMZ-UHFFFAOYSA-N
-rxn:4:212568:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,XTLMQAGHNGWYMX-UHFFFAOYSA-N
-rxn:4:212568:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,SBEIXOFOMGLNPH-UHFFFAOYSA-N
-rxn:4:212568:222775,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc1,GGSYGWHTXJMKHA-UHFFFAOYSA-N
-rxn:4:212568:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UUGFBRPFZAERAI-UHFFFAOYSA-N
-rxn:4:212568:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XZEVUFBWZOANHB-UHFFFAOYSA-N
-rxn:4:212568:222800,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1S(=O)(=O)NC(C)C,HYSIPANRIMNASU-UHFFFAOYSA-N
-rxn:4:212568:222804,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)cc1,YLBIJNUZMOUELP-UHFFFAOYSA-N
-rxn:4:212568:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PCJFBTOFUZMQRW-UHFFFAOYSA-N
-rxn:4:212568:222841,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CCCC3)cc2)cc1,UTHPQJMJWYKYTL-UHFFFAOYSA-N
-rxn:4:212568:222846,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1,OSDFAHKZOICILS-UHFFFAOYSA-N
-rxn:4:212568:222851,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,JLSHPKINWQMASJ-UHFFFAOYSA-N
-rxn:4:212568:222855,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCCNC2)c1,RZEUUKSTTXZRCA-UHFFFAOYSA-N
-rxn:4:212568:222861,CCCCNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,WAPNWYSBBSGWMQ-UHFFFAOYSA-N
-rxn:4:212568:222862,CCCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,IGLKTIBAGJTSPX-UHFFFAOYSA-N
-rxn:4:212568:222865,CCCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,VNHOVCVCAZZXPY-UHFFFAOYSA-N
-rxn:4:212568:222870,CC(C)CNC(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YDRQVXBVVUFXLB-UHFFFAOYSA-N
-rxn:4:212568:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XKTQVOADLIHHDC-UHFFFAOYSA-N
-rxn:4:212568:222874,CC(C)(C)NC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,BCKTYRUWBQHOIG-UHFFFAOYSA-N
-rxn:4:212568:222878,CC(C)(C)NC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,BVIMJVPQNQNDGN-UHFFFAOYSA-N
-rxn:4:212568:222880,CC(C)(C)C(=O)Nc1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GJCQXKQMRKZZDQ-UHFFFAOYSA-N
-rxn:4:212568:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HFNHSBUBQGFQOF-UHFFFAOYSA-N
-rxn:4:212568:222904,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,QVTZYMZRJCFTOY-UHFFFAOYSA-N
-rxn:4:212568:222947,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1,TXAMDIAKCDBJOJ-UHFFFAOYSA-N
-rxn:4:212568:223001,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1,VOCSCIKKXOKPAV-UHFFFAOYSA-N
-rxn:4:212568:223026,CCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,JIZDKFSYYNYMGM-UHFFFAOYSA-N
-rxn:4:212568:223032,CCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,VPJDYRGVPYKIEO-UHFFFAOYSA-N
-rxn:4:212568:223037,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1,DSADAVKEPGVUCF-UHFFFAOYSA-N
-rxn:4:212568:223040,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CC3)c(F)c2)cc1,GBAJUPWGULDUII-UHFFFAOYSA-N
-rxn:4:212568:223050,CC(C)NC(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NLESMXMLNBEWPA-UHFFFAOYSA-N
-rxn:4:212568:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JPEDMFCHXRZKSW-UHFFFAOYSA-N
-rxn:4:212568:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GQJZOQATZMNLSM-UHFFFAOYSA-N
-rxn:4:212568:223077,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1,WCSFCTVXOOAVBT-UHFFFAOYSA-N
-rxn:4:212568:223091,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,RYQRUFQLSVJLAP-UHFFFAOYSA-N
-rxn:4:212568:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,QNSCQIYBKPJPCR-UHFFFAOYSA-N
-rxn:4:212568:223116,C#CCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,KGZUHOZYBAGBLE-UHFFFAOYSA-N
-rxn:4:212568:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RYUQPBNHFRWXIF-UHFFFAOYSA-N
-rxn:4:212568:223134,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnccc2C2CCCNC2)cc1,AYXHMYNZRDAIJE-UHFFFAOYSA-N
-rxn:4:212568:223141,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C3CCNCC3)c2)cc1,RHZIXIADRDCHEC-UHFFFAOYSA-N
-rxn:4:212568:223164,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(F)c(NC3CC3)c2)cc1,HGWXLFYXBHTEMT-UHFFFAOYSA-N
-rxn:4:212568:223191,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,TXFQVPVCVAOBFN-UHFFFAOYSA-N
-rxn:4:212568:223197,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CNC3CC3)cc2)cc1,RDSXCAPTMPZHMW-UHFFFAOYSA-N
-rxn:4:212568:223220,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NCC3CC3)nc2)cc1,WYHOGRKXORYDRS-UHFFFAOYSA-N
-rxn:4:212568:223226,CCC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LWJFDGRTIBFXGG-UHFFFAOYSA-N
-rxn:4:212568:223227,CC(NC1CC1)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)s1,POMGNAQUECZUSE-UHFFFAOYSA-N
-rxn:4:212568:223230,CC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,RHFOFWFIKNEGDQ-UHFFFAOYSA-N
-rxn:4:212568:223257,CONC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ODBNIBLSUAEEOE-UHFFFAOYSA-N
-rxn:4:212568:223295,CS(=O)(=O)Nc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GZCDVIXEZFTSFP-UHFFFAOYSA-N
-rxn:4:212568:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)CC1,NZTGCJRKLAYQMK-UHFFFAOYSA-N
-rxn:4:212568:223508,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1,UWCQXXCCWYWFPT-UHFFFAOYSA-N
-rxn:4:212568:223520,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,NBBRFSKAMUJUCS-UHFFFAOYSA-N
-rxn:4:212568:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,FTSQBOGYYHRLRB-UHFFFAOYSA-N
-rxn:4:212568:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)CC1,RASVRNIBNCRZAY-UHFFFAOYSA-N
-rxn:4:212568:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DIVWIWARAPQAAJ-UHFFFAOYSA-N
-rxn:4:212568:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,JHABSKAMJXXOJU-UHFFFAOYSA-N
-rxn:4:212568:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c3ccccc23)CC1,RMSVNIWKTABMOT-UHFFFAOYSA-N
-rxn:4:212568:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HPQMVCIBRTZYHE-UHFFFAOYSA-N
-rxn:4:212568:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn(C(=O)OC(C)(C)C)c2c1,GEDWNTFCNXEPGB-UHFFFAOYSA-N
-rxn:4:212568:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JKRUDCQGNIDWIQ-UHFFFAOYSA-N
-rxn:4:212568:223606,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,UGLWPOHYFPJYBY-UHFFFAOYSA-N
-rxn:4:212568:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KTVDAEQSSKHBFZ-UHFFFAOYSA-N
-rxn:4:212568:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)C1,AOYJTJKBZWPNOV-UHFFFAOYSA-N
-rxn:4:212568:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,RIHKHFKSMXRNNI-UHFFFAOYSA-N
-rxn:4:212568:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,WLJNUKSOHGRZTK-UHFFFAOYSA-N
-rxn:4:212568:223667,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCc2ccccc2)cc1,KZRLGUWPRXUOGE-UHFFFAOYSA-N
-rxn:4:212568:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)C1,FJIQSZXGRKRRTE-UHFFFAOYSA-N
-rxn:4:212568:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(C(F)(F)F)c1,CWDOKZCPOIAVJS-UHFFFAOYSA-N
-rxn:4:212568:223734,CC(C)(C)c1ccc(COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,GGYJIBRCQICFMA-UHFFFAOYSA-N
-rxn:4:212568:223759,COc1cc(COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc(OC)c1,CBXLVRPTEAIMBS-UHFFFAOYSA-N
-rxn:4:212568:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GZEJZFLINYGMMD-UHFFFAOYSA-N
-rxn:4:212568:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)C1,GQTQSLWBWCBVHI-UHFFFAOYSA-N
-rxn:4:212568:223791,COc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)cc1,TZVQODNYZAFIAF-UHFFFAOYSA-N
-rxn:4:212568:223800,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)cc1,UPPYQMCHSDOHKU-UHFFFAOYSA-N
-rxn:4:212568:223808,COc1ccc(COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2F)cc1,FJSPRTQLYQBGAZ-UHFFFAOYSA-N
-rxn:4:212568:223810,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,QWRHDNKLIQTWHL-UHFFFAOYSA-N
-rxn:4:212568:223812,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,ARRSBJHBUBNDOP-UHFFFAOYSA-N
-rxn:4:212568:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2c(Cl)ccnc21,VWLWLOBWUMOAOM-UHFFFAOYSA-N
-rxn:4:212568:223828,CCN1CCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc(C(F)(F)F)c2)CC1,ONOOYFKKIWWLCM-UHFFFAOYSA-N
-rxn:4:212568:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,YDLYYRPCPUCXSM-UHFFFAOYSA-N
-rxn:4:212568:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CHBQHFODZZMHRW-UHFFFAOYSA-N
-rxn:4:212568:223874,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(=O)OCc1ccccc1,QYCNZJSBBXCIEL-UHFFFAOYSA-N
-rxn:4:212568:223878,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1OCc1ccc(Cl)cc1,IFMZSPIHNGWJDO-UHFFFAOYSA-N
-rxn:4:212568:223938,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cc(Cl)ccc21,TUZQAZQMVDNKCP-UHFFFAOYSA-N
-rxn:4:212568:223945,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1,XRDUOVLBERPDNL-UHFFFAOYSA-N
-rxn:4:212568:223989,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1,ZPKVAVNPWIXMKV-UHFFFAOYSA-N
-rxn:4:212568:224014,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)cc1,IYAGMCXFUSTTQT-UHFFFAOYSA-N
-rxn:4:212568:224064,CC1CCCCN1c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,GVRDJEXGCITEBD-UHFFFAOYSA-N
-rxn:4:212568:224088,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCCCCC3)cc2)cc1,MRZMOAZUJWFQLL-UHFFFAOYSA-N
-rxn:4:212568:224125,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,CPQKYKMLXMOMQI-UHFFFAOYSA-N
-rxn:4:212568:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KAQGKSNCLXULAH-UHFFFAOYSA-N
-rxn:4:212568:224177,CC(C)COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC(C)C,WEGDRKYYFQTLMF-UHFFFAOYSA-N
-rxn:4:212568:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AMEOXPYPNBBPRY-UHFFFAOYSA-N
-rxn:4:212568:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)C1,DEWSFPCVWOTOBA-UHFFFAOYSA-N
-rxn:4:212568:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,BYENEYRNODUQBW-UHFFFAOYSA-N
-rxn:4:212568:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,VYDDNGHUWPCSLO-UHFFFAOYSA-N
-rxn:4:212568:224270,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2cccnc21,BJDUHGOKXNKOBY-UHFFFAOYSA-N
-rxn:4:212568:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,GPDPVGDPQSNDRI-UHFFFAOYSA-N
-rxn:4:212568:224281,COc1cc(OC)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(OC)nc2c1,IVTHILVRMSNUBJ-UHFFFAOYSA-N
-rxn:4:212568:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,PSEROCURUHFFLZ-UHFFFAOYSA-N
-rxn:4:212568:224313,CN1CCN(C(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)CC1,PATRUBMJCXNYBY-UHFFFAOYSA-N
-rxn:4:212568:224323,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1S(=O)(=O)N1CCCC1,CDBFRCDGSCLNHS-UHFFFAOYSA-N
-rxn:4:212568:224367,CC(C)COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(F)(F)F,GJYGCZKJIGYQBY-UHFFFAOYSA-N
-rxn:4:212568:224372,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)cc1,UQEJGDIMPCSQCJ-UHFFFAOYSA-N
-rxn:4:212568:224387,Cc1cn(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C(F)(F)F)c2)cn1,FOYQIMUTALQQDY-UHFFFAOYSA-N
-rxn:4:212568:224388,Cc1nccn1-c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,OHYCSNUZUDYEKK-UHFFFAOYSA-N
-rxn:4:212568:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,MWODBDATJMYRDV-UHFFFAOYSA-N
-rxn:4:212568:224416,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1,QYZLDLJWSVIFPQ-UHFFFAOYSA-N
-rxn:4:212568:224420,Cc1cc2c(cc1-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)C(C)(C)CCC2(C)C,BOZKKNULPFINEH-UHFFFAOYSA-N
-rxn:4:212568:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YEFSBXKYGRJFCY-UHFFFAOYSA-N
-rxn:4:212568:224501,CN1CCCCC1COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,RVZSHIUOXSISJT-UHFFFAOYSA-N
-rxn:4:212568:224570,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCN(C)CC1,NFVGRWRDKQHVHW-UHFFFAOYSA-N
-rxn:4:212568:224571,CC(C)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,XMZQWIIWVYEQFU-UHFFFAOYSA-N
-rxn:4:212568:224590,CC1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,GXFPHIBWRVWSKM-UHFFFAOYSA-N
-rxn:4:212568:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,UHMSKVGOCQKPGW-UHFFFAOYSA-N
-rxn:4:212568:224663,CN1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,CXXRWAJTMSOJNX-UHFFFAOYSA-N
-rxn:4:212568:224678,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc1,BBTOUYNNZHWHNA-UHFFFAOYSA-N
-rxn:4:212568:224681,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cc1,GKVVKWHBDUTVNK-UHFFFAOYSA-N
-rxn:4:212568:224684,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)cc1,CUZPCVFQTRFHNY-UHFFFAOYSA-N
-rxn:4:212568:224686,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1,YJDNJMLEWMIZDR-UHFFFAOYSA-N
-rxn:4:212568:224734,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cc1,GLPRTSUKYJFZOZ-UHFFFAOYSA-N
-rxn:4:212568:224774,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1,BOBYVMDRIOHJSZ-UHFFFAOYSA-N
-rxn:4:212568:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QEGOUPFEAWCXPS-UHFFFAOYSA-N
-rxn:4:212568:224801,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1F,GQZJZHXNDZAATJ-UHFFFAOYSA-N
-rxn:4:212568:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LXRRQWKQVWKDRO-UHFFFAOYSA-N
-rxn:4:212568:224805,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,FIPUSMMVTIOFFV-UHFFFAOYSA-N
-rxn:4:212568:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,WXDGBMMITMPTHY-UHFFFAOYSA-N
-rxn:4:212568:224825,CON(C)C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,YNPUJSOBZYQNSU-UHFFFAOYSA-N
-rxn:4:212568:224842,CC1(C)CCC(C)(C)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,NMGGZQNHTWEZND-UHFFFAOYSA-N
-rxn:4:212568:224846,CCC1CCC(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,UGTJRYFGXDYPAX-UHFFFAOYSA-N
-rxn:4:212568:224867,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1,RFKMPBXGYOMBRQ-UHFFFAOYSA-N
-rxn:4:212568:224880,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2CCCCCC2)cc1,NQONOSGVRBATAB-UHFFFAOYSA-N
-rxn:4:212568:224885,CC1CCN(Cc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,RKTRFIGCJASWEA-UHFFFAOYSA-N
-rxn:4:212568:224893,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)(C)C)n1,FPQXUYJLWPRTSC-UHFFFAOYSA-N
-rxn:4:212568:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JBMALASVAIUCOF-UHFFFAOYSA-N
-rxn:4:212568:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QZUDNUIENIEENQ-UHFFFAOYSA-N
-rxn:4:212568:224930,CCN(CC)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,HVXFJEGAICOUPS-UHFFFAOYSA-N
-rxn:4:212568:224956,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JMEJCYDNYQTHQT-UHFFFAOYSA-N
-rxn:4:212568:224957,CC(C)(C)[Si](C)(C)Oc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QZDNVCWDDALKPG-UHFFFAOYSA-N
-rxn:4:212568:224959,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1,GJELFZWLSVDFKM-UHFFFAOYSA-N
-rxn:4:212568:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FAXMCADXBMCPSN-UHFFFAOYSA-N
-rxn:4:212568:224991,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1,LYXPLQAADFEUKW-UHFFFAOYSA-N
-rxn:4:212568:225061,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)CC1,DSCNPUIMPDIZNC-UHFFFAOYSA-N
-rxn:4:212568:225082,Cc1nc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)cc2n1C(C)C,YAFVQADIIZCCPR-UHFFFAOYSA-N
-rxn:4:212568:225086,CN(C)CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,RHMHAKHKPXNEAY-UHFFFAOYSA-N
-rxn:4:212568:225087,CN(C)CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,UKBRCJIDIOMTHY-UHFFFAOYSA-N
-rxn:4:212568:225105,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,PZTBWQRGYAGCIT-UHFFFAOYSA-N
-rxn:4:212568:225106,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,YPHUEGNNQRYEAE-UHFFFAOYSA-N
-rxn:4:212568:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cs1,HCXABMAHXNSNKU-UHFFFAOYSA-N
-rxn:4:212568:225122,CC(C)(C)[Si](C)(C)Oc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FTHUXCSKYJQNKN-UHFFFAOYSA-N
-rxn:4:212568:225123,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccncc2OCC2CCCCO2)cc1,UDOTZKDPDRIBKR-UHFFFAOYSA-N
-rxn:4:212568:225124,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(OCC3CCOCC3)c2)cc1,QBPZHXITTSQTDC-UHFFFAOYSA-N
-rxn:4:212568:225161,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)cc1,GFWXWRJKBHNART-UHFFFAOYSA-N
-rxn:4:212568:225166,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)c(F)c2)cc1,HHMXQIANSYRZHC-UHFFFAOYSA-N
-rxn:4:212568:225173,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2F)cc1,MXAXTSNLXGRXLB-UHFFFAOYSA-N
-rxn:4:212568:225177,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCSCC3)c(F)c2)cc1,QTCRXMVCKVYGCB-UHFFFAOYSA-N
-rxn:4:212568:225181,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3CCOCC3)c2F)cc1,XSHQFSOUSBTUNG-UHFFFAOYSA-N
-rxn:4:212568:225198,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cccc2OC2CCCCO2)cc1,SLELZCZUPKDGEB-UHFFFAOYSA-N
-rxn:4:212568:225199,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1,FSPLQUISAUQMGV-UHFFFAOYSA-N
-rxn:4:212568:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LDHRUVVLIHRHIJ-UHFFFAOYSA-N
-rxn:4:212568:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DRAMJCFGJQOSKX-UHFFFAOYSA-N
-rxn:4:212568:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OGLDKKPSHRBWQS-UHFFFAOYSA-N
-rxn:4:212568:225268,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,QOWVPVRTZZVEKA-UHFFFAOYSA-N
-rxn:4:212568:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BKEIVUUANGCPDL-UHFFFAOYSA-N
-rxn:4:212568:225275,COCCOc1c(F)c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,HEXSVGKUAQYQGT-UHFFFAOYSA-N
-rxn:4:212568:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SODDTNYXCJAXNJ-UHFFFAOYSA-N
-rxn:4:212568:225292,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,VVYBPVPPDWRELO-UHFFFAOYSA-N
-rxn:4:212568:225301,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC3CCOCC3)ncc2F)cc1,SIUIDJHLQFMPLB-UHFFFAOYSA-N
-rxn:4:212568:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PPOZOSOTCAIARO-UHFFFAOYSA-N
-rxn:4:212568:225320,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1,BFFWKQWSEPVEGK-UHFFFAOYSA-N
-rxn:4:212568:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BQFBMLIRSPYVCB-UHFFFAOYSA-N
-rxn:4:212568:225355,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,CEUJXTLNNQOGNJ-UHFFFAOYSA-N
-rxn:4:212568:225358,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,PDIBGTRJDBLYSV-UHFFFAOYSA-N
-rxn:4:212568:225364,Cc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N(C)C,BTLFLYBYTOEMSY-UHFFFAOYSA-N
-rxn:4:212568:225379,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,RRJWDTGQKNPLDC-UHFFFAOYSA-N
-rxn:4:212568:225433,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CSC3CCCC3)cc2)cc1,QJGCSKLOMYPONJ-UHFFFAOYSA-N
-rxn:4:212568:225447,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1,RXEUQPSHGOZGPK-UHFFFAOYSA-N
-rxn:4:212568:225451,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1,GVTZWMPSPPHKDX-UHFFFAOYSA-N
-rxn:4:212568:225453,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)cc1,BYEBTDNKHIKWFP-UHFFFAOYSA-N
-rxn:4:212568:225454,CN1CC=C(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,SAGDSHXGFWPARZ-UHFFFAOYSA-N
-rxn:4:212568:225499,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1,WLHCOHRIKNMPDR-UHFFFAOYSA-N
-rxn:4:212568:225515,CC1(C)COc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2OC1,LUSGLGRPLMZVDX-UHFFFAOYSA-N
-rxn:4:212568:225518,CCCCCOc1ncc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WTDUCEDIXOBELP-UHFFFAOYSA-N
-rxn:4:212568:225535,CCN(CC)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,JWLLQSFYQUEPJZ-UHFFFAOYSA-N
-rxn:4:212568:225536,CC(C)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,BPEQBOSXWUTWFF-UHFFFAOYSA-N
-rxn:4:212568:225538,CC(C)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C#N,YBBPAZHXPMSRKK-UHFFFAOYSA-N
-rxn:4:212568:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GHTWATRMLMWSNM-UHFFFAOYSA-N
-rxn:4:212568:225559,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CCOC3)cc2)cc1,VKZVQZDDZBNXKQ-UHFFFAOYSA-N
-rxn:4:212568:225573,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,ZDQGJRVPOHLATQ-UHFFFAOYSA-N
-rxn:4:212568:225583,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1,VKWVVNIWLYGDRH-UHFFFAOYSA-N
-rxn:4:212568:225592,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,RZKMTYGXSNJIAU-UHFFFAOYSA-N
-rxn:4:212568:225596,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(CN3CCCC3)c2)cc1,GTJGPDARJSGVSW-UHFFFAOYSA-N
-rxn:4:212568:225601,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)cc1,SLWPKXIKGQZHAO-UHFFFAOYSA-N
-rxn:4:212568:225617,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCCCO3)cc2)cc1,GGYIAMDJHWKKKZ-UHFFFAOYSA-N
-rxn:4:212568:225631,CN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,NMJGDFFIALRVSZ-UHFFFAOYSA-N
-rxn:4:212568:225653,CC1CCCCN1c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,KGLVOYMMPYCQDZ-UHFFFAOYSA-N
-rxn:4:212568:225711,COC(COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)OC,MDAYQTXJMDVMQJ-UHFFFAOYSA-N
-rxn:4:212568:225736,CCCOc1c(OC)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,JSRJSDXTRJZWAR-UHFFFAOYSA-N
-rxn:4:212568:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,IKHLEVOCOZZECI-UHFFFAOYSA-N
-rxn:4:212568:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GLEUIGSYBLGABG-UHFFFAOYSA-N
-rxn:4:212568:225775,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC)c1C,IQMJVMNWLQKFQC-UHFFFAOYSA-N
-rxn:4:212568:225776,CCCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,IKVWXEVKIKCMOY-UHFFFAOYSA-N
-rxn:4:212568:225803,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1,FAHSLPXMJSUNFQ-UHFFFAOYSA-N
-rxn:4:212568:225809,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OC2CCOC2)cc1,MUIABGSXOOYLNS-UHFFFAOYSA-N
-rxn:4:212568:225816,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)cc1,LFCHOYILDXGATI-UHFFFAOYSA-N
-rxn:4:212568:225872,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)cc1,HYPBHWJFRLEARS-UHFFFAOYSA-N
-rxn:4:212568:225891,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C(OC)OC,NKGXEWFSMJDGHK-UHFFFAOYSA-N
-rxn:4:212568:225908,CCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FGPMSLSWZVKZQO-UHFFFAOYSA-N
-rxn:4:212568:225916,COC(=O)c1cc(OC)c(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VVHSNGUKPDUFCK-UHFFFAOYSA-N
-rxn:4:212568:225920,Cc1ccc(OCC(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FAUGVXGFLFWGIZ-UHFFFAOYSA-N
-rxn:4:212568:225939,CC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C(F)(F)F,NMALTFSGGCXETE-UHFFFAOYSA-N
-rxn:4:212568:225943,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)cc1,YLRALNYXIZIKBC-UHFFFAOYSA-N
-rxn:4:212568:225945,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1,HQQZIFMURNJHFL-UHFFFAOYSA-N
-rxn:4:212568:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KWMPGDKPAQLWKU-UHFFFAOYSA-N
-rxn:4:212568:225984,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)cc1,ZIPAJDOLLUFGSA-UHFFFAOYSA-N
-rxn:4:212568:225986,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1,JUJUKNXEFARUGV-UHFFFAOYSA-N
-rxn:4:212568:225987,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1,DYRWZIBZMJPSPZ-UHFFFAOYSA-N
-rxn:4:212568:226008,COc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RUIVHZZCLHXFNM-UHFFFAOYSA-N
-rxn:4:212568:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YJFPPSYUGBCDBH-UHFFFAOYSA-N
-rxn:4:212568:226018,CSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(F)(F)F,VQEFURWEZWHAEH-UHFFFAOYSA-N
-rxn:4:212568:226025,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCOC3)nc2Cl)cc1,SBZPPATWRNEYDB-UHFFFAOYSA-N
-rxn:4:212568:226043,COc1c(F)cc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1[N+](=O)[O-],POJRVKUSTMMRRL-UHFFFAOYSA-N
-rxn:4:212568:226051,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(OC(F)(F)F)ccc(F)c2F)cc1,VRLFXPCLLALKJG-UHFFFAOYSA-N
-rxn:4:212568:226057,CCCCCCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,MSBNOKFRVVDDKU-UHFFFAOYSA-N
-rxn:4:212568:226061,CC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)c1,DYIYAAKOKRULPG-UHFFFAOYSA-N
-rxn:4:212568:226092,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,SRQMQUFJNNMZFW-UHFFFAOYSA-N
-rxn:4:212568:226099,CCCCOc1ccc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DIMIQNPVHVTWEA-UHFFFAOYSA-N
-rxn:4:212568:226103,CCCOc1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,FGWZHMBFFPTHJO-UHFFFAOYSA-N
-rxn:4:212568:226107,Cc1cc(OCC2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CZNZBJJEROEDCL-UHFFFAOYSA-N
-rxn:4:212568:226126,COCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C1CC1,ZGEOMTMNLMHEFC-UHFFFAOYSA-N
-rxn:4:212568:226136,Cc1cc(C#N)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C1CC1,CAYYEHHDNYFUIP-UHFFFAOYSA-N
-rxn:4:212568:226174,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCCC3)nc2)cc1,VIAUESDXOPQCJD-UHFFFAOYSA-N
-rxn:4:212568:226182,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1,LQSDRSPRMJEAOQ-UHFFFAOYSA-N
-rxn:4:212568:226185,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCOCC3)cc2)cc1,KJKXCUXTLYIRLL-UHFFFAOYSA-N
-rxn:4:212568:226215,CO/N=C1\CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,KKZBLEGPUJMKTB-IPRQDNHGSA-N
-rxn:4:212568:226235,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)n1,OPSLHIRJPRFBAA-UHFFFAOYSA-N
-rxn:4:212568:226236,CCCCOc1ncc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SYBMRYIFIRPVIA-UHFFFAOYSA-N
-rxn:4:212568:226245,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,IBYWJGGOJWYMMX-UHFFFAOYSA-N
-rxn:4:212568:226254,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC,BGPXPYCYPMZGFK-UHFFFAOYSA-N
-rxn:4:212568:226291,CC(C)COc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FQYKQQWWXZAGSM-UHFFFAOYSA-N
-rxn:4:212568:226297,CC(C)OCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,WNNDLGCNJFYSFN-UHFFFAOYSA-N
-rxn:4:212568:226311,CCCOc1ccc(C)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SVRDKMNPGLJEKQ-UHFFFAOYSA-N
-rxn:4:212568:226329,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C#N)CC3)c(F)c2)cc1,LCHQIXYQPWODLB-UHFFFAOYSA-N
-rxn:4:212568:226335,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3COC3)c(C#N)c2)cc1,HNGGTTXPRFSCOS-UHFFFAOYSA-N
-rxn:4:212568:226342,COC(=O)c1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,QHCGUISMBDYAOP-UHFFFAOYSA-N
-rxn:4:212568:226344,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C2CC2)cc1Cl,OKKHFLYOAUJYJT-UHFFFAOYSA-N
-rxn:4:212568:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BLKSHSRGPQYPLV-UHFFFAOYSA-N
-rxn:4:212568:226374,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1,WMGYLABPOIJANR-UHFFFAOYSA-N
-rxn:4:212568:226426,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)s2)CC1,UXNOYSVYCWJZPS-UHFFFAOYSA-N
-rxn:4:212568:226472,CN(C)CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccn1,BBAPRHZYWLPUAG-UHFFFAOYSA-N
-rxn:4:212568:226487,COC(=O)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UACKTANHQVQAMS-UHFFFAOYSA-N
-rxn:4:212568:226494,CCN(CC)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)n1,GMNZHGWUMMBCCJ-UHFFFAOYSA-N
-rxn:4:212568:226506,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCC3CC3)ncc2F)cc1,UWGMLCYYSOQEDJ-UHFFFAOYSA-N
-rxn:4:212568:226512,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccncc2OCC2CCO2)cc1,CKALTPWPZZRWQD-UHFFFAOYSA-N
-rxn:4:212568:226521,COc1cc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1,DUEJJEQSNZDHGH-UHFFFAOYSA-N
-rxn:4:212568:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ROXGGWNKGJPAAX-UHFFFAOYSA-N
-rxn:4:212568:226551,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC,OOZNXVAVUMAGNT-UHFFFAOYSA-N
-rxn:4:212568:226553,COC(=O)c1c(OC)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NMBJLTKRDPCWSY-UHFFFAOYSA-N
-rxn:4:212568:226581,CN(C)C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,MGZONBSQAXDACV-UHFFFAOYSA-N
-rxn:4:212568:226584,CN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,OVWYNECGHALPJU-UHFFFAOYSA-N
-rxn:4:212568:226588,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1,KVKAFYYWMBDIBL-UHFFFAOYSA-N
-rxn:4:212568:226590,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCOC3)nc2)cc1,VVGQMZSIVZHMIF-UHFFFAOYSA-N
-rxn:4:212568:226597,CC(C)Oc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,VNFATASNERPIHV-UHFFFAOYSA-N
-rxn:4:212568:226598,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1F,WKQOAGNPBOAUTM-UHFFFAOYSA-N
-rxn:4:212568:226601,CC(C)Oc1ccc(F)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HOSIDYFJIPPXLI-UHFFFAOYSA-N
-rxn:4:212568:226608,CC(C)Oc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc(F)c1F,XIDBYECMCJGFGG-UHFFFAOYSA-N
-rxn:4:212568:226612,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,RTCUPCQSKMZYGC-UHFFFAOYSA-N
-rxn:4:212568:226675,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCC3)nc2Cl)cc1,GADMBEDSONZLMJ-UHFFFAOYSA-N
-rxn:4:212568:226725,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OCC(F)(F)F)c2)cc1,CFBCSAYHTBUGMN-UHFFFAOYSA-N
-rxn:4:212568:226726,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OCC(F)(F)F)cc1,KTAKZBNGKRPABU-UHFFFAOYSA-N
-rxn:4:212568:226740,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2C#N)cc1,VVRKRSLIDVPBOY-UHFFFAOYSA-N
-rxn:4:212568:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MGMSUYUJRBNMOX-UHFFFAOYSA-N
-rxn:4:212568:226760,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)c1F,DHRXFVBBICGAGH-UHFFFAOYSA-N
-rxn:4:212568:226763,COC(=O)c1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,CTNRIOGVTRNUBH-UHFFFAOYSA-N
-rxn:4:212568:226766,Cc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KOYLOHPZAUTXJD-UHFFFAOYSA-N
-rxn:4:212568:226767,COc1ccc(C(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FCCWTIPRULYKED-UHFFFAOYSA-N
-rxn:4:212568:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VGHDYAFYOGGSMN-UHFFFAOYSA-N
-rxn:4:212568:226774,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)=C(F)F)cc2)cc1,IZHWZULONBWAQH-UHFFFAOYSA-N
-rxn:4:212568:226778,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(F)c1OC,VQXDZHDWTCXBSI-UHFFFAOYSA-N
-rxn:4:212568:226792,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCOCC3)nc2)cc1,HBZKHPFZXSOTHW-UHFFFAOYSA-N
-rxn:4:212568:226826,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(C(F)(F)F)c1,HSTLAZNSBNKVER-UHFFFAOYSA-N
-rxn:4:212568:226827,Cc1c(C(F)(F)F)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,PVNAKASLKATLTD-UHFFFAOYSA-N
-rxn:4:212568:226843,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1,UPVDJXABJQTFHY-UHFFFAOYSA-N
-rxn:4:212568:226872,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OC(F)(F)F)cc1,PSEBAQPSQNMANP-UHFFFAOYSA-N
-rxn:4:212568:226880,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(F)c(C(F)(F)F)c2)cc1,GHMFSIADOITEDU-UHFFFAOYSA-N
-rxn:4:212568:226884,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cc(C(F)(F)F)cc2F)cc1,HKCPKMWWIHLKOR-UHFFFAOYSA-N
-rxn:4:212568:226887,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(F)(F)F)c2F)cc1,RVKWYBLTWFDOAZ-UHFFFAOYSA-N
-rxn:4:212568:226892,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2Cl)cc1,PJIRPGLOBSVEOK-UHFFFAOYSA-N
-rxn:4:212568:226893,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)c(C(F)(F)F)cc2F)cc1,NHORYRSUYHWKFZ-UHFFFAOYSA-N
-rxn:4:212568:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SZNXJDXKQUKPGL-UHFFFAOYSA-N
-rxn:4:212568:226973,CC1(C)COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,SDZMPSBSVMSHHA-UHFFFAOYSA-N
-rxn:4:212568:226998,CC(C)COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,GQTSVCSLMWNDMZ-UHFFFAOYSA-N
-rxn:4:212568:227001,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(SCC3CC3)c2)cc1,UHGFTRDQXMSOCE-UHFFFAOYSA-N
-rxn:4:212568:227014,CC(C)CSc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,BUIPECZZCMUCTL-UHFFFAOYSA-N
-rxn:4:212568:227042,CCOc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,IJZNLBIVNNPEAL-UHFFFAOYSA-N
-rxn:4:212568:227050,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(C)C,TZIKRCZCKXIKPV-UHFFFAOYSA-N
-rxn:4:212568:227052,CC(C)(C)Sc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,CEQWBTGDZNKNJV-UHFFFAOYSA-N
-rxn:4:212568:227054,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C1CC1,JHJLSQZEQXNGAY-UHFFFAOYSA-N
-rxn:4:212568:227076,CCC(C)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WHVOQRFAQSSOMF-UHFFFAOYSA-N
-rxn:4:212568:227117,Cc1cc(C2CC2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,OTBSDJFOIBHQJY-UHFFFAOYSA-N
-rxn:4:212568:227218,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OCCCF)cc1,MEKAGDXFHBSDLK-UHFFFAOYSA-N
-rxn:4:212568:227229,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C#N,SBVNKOYXYDIKJK-UHFFFAOYSA-N
-rxn:4:212568:227233,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1CC#N,JQBQYPUGTDRXTC-UHFFFAOYSA-N
-rxn:4:212568:227242,CCCOc1cccc(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WRWVVKVMDWJLMS-UHFFFAOYSA-N
-rxn:4:212568:227246,CCCOc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,POJVIZPLKKGFDJ-UHFFFAOYSA-N
-rxn:4:212568:227255,COC(=O)Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FZMOJVMCNCXEMN-UHFFFAOYSA-N
-rxn:4:212568:227274,CC(=O)SCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WMFCLGTWRMNUCV-UHFFFAOYSA-N
-rxn:4:212568:227292,CN(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,FCMQPMMLGVADHA-UHFFFAOYSA-N
-rxn:4:212568:227294,Cc1cnc(OC(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CNKUDKCARRQJTC-UHFFFAOYSA-N
-rxn:4:212568:227295,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(OC3CCC3)c2)cc1,FMOMJENGRARCPR-UHFFFAOYSA-N
-rxn:4:212568:227316,CC(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)n1,YONIXTDUMYYTFI-UHFFFAOYSA-N
-rxn:4:212568:227337,CC(C)Oc1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FQQOSVSTJMGJLG-UHFFFAOYSA-N
-rxn:4:212568:227341,CC(C)Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,WYLGAHQHJPUGDY-UHFFFAOYSA-N
-rxn:4:212568:227357,CCC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,LPXGJSUBHQAALQ-UHFFFAOYSA-N
-rxn:4:212568:227369,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OC2CC2)cc1,USAWJBWREOXGMJ-UHFFFAOYSA-N
-rxn:4:212568:227402,CC(C)(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)n1,NROTZCGEZHKQLH-UHFFFAOYSA-N
-rxn:4:212568:227407,CC(C)(C)c1ncc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OXXVJPQKIUXCBL-UHFFFAOYSA-N
-rxn:4:212568:227416,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)nc(C3CCC3)c2)cc1,JBTCJHLEXOZMAG-UHFFFAOYSA-N
-rxn:4:212568:227419,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCC3)nc2F)cc1,VXQVMWXFAQHDTI-UHFFFAOYSA-N
-rxn:4:212568:227465,COCCOc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,UGWYIWGISDZBNS-UHFFFAOYSA-N
-rxn:4:212568:227466,COCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,NWZRQKVKLMYELE-UHFFFAOYSA-N
-rxn:4:212568:227468,CCN(CC)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,DFGSTEPOCGYDKP-UHFFFAOYSA-N
-rxn:4:212568:227469,COCC(C)(C)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,DAWTZVPOOKTGOX-UHFFFAOYSA-N
-rxn:4:212568:227471,CCCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,MKOWWDXMBVXKQK-UHFFFAOYSA-N
-rxn:4:212568:227483,COC(=O)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,KORPVDHSPFBZNY-UHFFFAOYSA-N
-rxn:4:212568:227491,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCC3)nc2)cc1,ZTVRZLJCWGGYEP-UHFFFAOYSA-N
-rxn:4:212568:227493,CC(C)Cc1nc(Cl)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LPTNODJFUNBVOF-UHFFFAOYSA-N
-rxn:4:212568:227513,COc1nc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,OHVZKMGVOKMWFC-UHFFFAOYSA-N
-rxn:4:212568:227519,COC(=O)c1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,LUHAOVAVVJBVRK-UHFFFAOYSA-N
-rxn:4:212568:227521,COC(=O)c1cnc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GVXNWAHOAVGCBZ-UHFFFAOYSA-N
-rxn:4:212568:227529,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,YHENHDCQBUNLJH-UHFFFAOYSA-N
-rxn:4:212568:227540,COc1c(F)cc(SC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WIIDHVZPDHSAGK-UHFFFAOYSA-N
-rxn:4:212568:227542,COC(=O)c1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MUYWKSRHHCQVSQ-UHFFFAOYSA-N
-rxn:4:212568:227544,COC(=O)c1ccc(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GGHNTVJMRAJVGM-UHFFFAOYSA-N
-rxn:4:212568:227556,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(OC)c1F,YKAZPHCDAJTVSH-UHFFFAOYSA-N
-rxn:4:212568:227558,Cc1cc(OC(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SFWQXMWMQXVXBK-UHFFFAOYSA-N
-rxn:4:212568:227573,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)c1F,DPLUJLMFAHALTR-UHFFFAOYSA-N
-rxn:4:212568:227579,CCOc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,JZMCSSOIBGGJLV-UHFFFAOYSA-N
-rxn:4:212568:227585,CCOc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc(Cl)c1F,LDDGWAZWSVUPDT-UHFFFAOYSA-N
-rxn:4:212568:227590,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CC(F)(F)F)cc2)cc1,JKIILAFBVVMLQA-UHFFFAOYSA-N
-rxn:4:212568:227596,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCC3)nc2)cc1,VNODUCZQFWGMBH-UHFFFAOYSA-N
-rxn:4:212568:227631,CC(C)(C)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)n1,QINRVUKYPMICOK-UHFFFAOYSA-N
-rxn:4:212568:227661,Cc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MGNIBCYKAKPIFM-UHFFFAOYSA-N
-rxn:4:212568:227669,COc1c(F)c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,SFGCRYYNUNXPFY-UHFFFAOYSA-N
-rxn:4:212568:227675,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(F)c1C,HPYSOMGPGOVUEO-UHFFFAOYSA-N
-rxn:4:212568:227681,COC(Cn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1)OC,AQMKPJMAHIIQAQ-UHFFFAOYSA-N
-rxn:4:212568:227709,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1,VAYWFWLOUIRIJR-UHFFFAOYSA-N
-rxn:4:212568:227716,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(F)c2OC(F)F)cc1,LZMMBNWZXCFPDZ-UHFFFAOYSA-N
-rxn:4:212568:227717,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2OC(F)F)cc1,WQXOVNWBFAAHKP-UHFFFAOYSA-N
-rxn:4:212568:227724,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC(F)F)ccc2F)cc1,NQAPBWYMEWGWCL-UHFFFAOYSA-N
-rxn:4:212568:227735,Cc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,QYFYUHFOLTXWTQ-UHFFFAOYSA-N
-rxn:4:212568:227745,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1,SMVJUDIKZSJJNC-UHFFFAOYSA-N
-rxn:4:212568:227749,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1,HVQWZILFGKVWRX-UHFFFAOYSA-N
-rxn:4:212568:227750,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1,ZRIGUIJFLGUIMJ-UHFFFAOYSA-N
-rxn:4:212568:227755,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2F)cc1,CNHIUJAVKVXZKN-UHFFFAOYSA-N
-rxn:4:212568:227756,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cccc2C(F)(F)F)cc1,VSWKEKAVLVVJPN-UHFFFAOYSA-N
-rxn:4:212568:227757,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2)cc1,HOBIORIMIXXWAO-UHFFFAOYSA-N
-rxn:4:212568:227771,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)nc2)cc1,GSSSTNHPJDIQHC-UHFFFAOYSA-N
-rxn:4:212568:227775,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)nc2Cl)cc1,WZILUHXXGUZMMN-UHFFFAOYSA-N
-rxn:4:212568:227789,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)nc(C(F)(F)F)c2)cc1,CLVKRKCHVGMADV-UHFFFAOYSA-N
-rxn:4:212568:227794,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc([N+](=O)[O-])cc(Cl)c2F)cc1,AXAJSZKBRYJMEJ-UHFFFAOYSA-N
-rxn:4:212568:227801,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(C(F)(F)F)ccnc2F)cc1,LINDYFOQECGPPO-UHFFFAOYSA-N
-rxn:4:212568:228083,CC(C)CCn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,NIPUIIVXTLLTDP-UHFFFAOYSA-N
-rxn:4:212568:228100,CCCn1nc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C,VOAGBUBVQIRHOX-UHFFFAOYSA-N
-rxn:4:212568:228346,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)s1,LUPKKEHVZKTKPY-UHFFFAOYSA-N
-rxn:4:212568:228501,Cn1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C(F)(F)F,FEQVZPOMZBEXTF-UHFFFAOYSA-N
-rxn:4:212576:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnn(CC2CN(C(=O)C(C)Oc3ccccc3)C2)c1,VVQKJHRRUMJLIF-UHFFFAOYSA-N
-rxn:4:212587:224752,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cn3)C2)cc1,YSZRMVLWIROJKW-UHFFFAOYSA-N
-rxn:4:212595:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3ccc(C(=S)N4CCN(CCC#N)CC4)o3)cc2)cc1,MBSOQDMPUCVHSU-UHFFFAOYSA-N
-rxn:4:212599:224718,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,RLRFDGDHUOVHSE-UHFFFAOYSA-N
-rxn:4:212602:224398,Cc1cc(F)c(-c2cnc(OC3CCN(C(=O)COc4ccccc4)CC3)nc2)cc1S(=O)(=O)N1CCCC1,FGACQPDNRFDKDD-UHFFFAOYSA-N
-rxn:4:212604:225288,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(OC(C)C)cc3C(F)(F)F)cc2)cc1[N+](=O)[O-],WMVAFFXQPSTPEO-UHFFFAOYSA-N
-rxn:4:212607:222916,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,NQIILFQYXNYSHR-UHFFFAOYSA-N
-rxn:4:212607:224825,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)CC1,WBEQZZANIFJODO-UHFFFAOYSA-N
-rxn:4:212607:225342,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)C)cc([N+](=O)[O-])c3)cn2)CC1,HZYXORWDXWUHLQ-UHFFFAOYSA-N
-rxn:4:212626:225666,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)CC2)c1,UITGHESFMIIPGL-UHFFFAOYSA-N
-rxn:4:212627:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCCC(COc4cc(C#N)ccn4)C3)cc2)cc1,GTQUHFSBDJAFLC-UHFFFAOYSA-N
-rxn:4:212628:226127,CCOc1ccc(C(C)C)cc1-c1cnc(OC2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1,KFPYDXZLQFONMJ-UHFFFAOYSA-N
-rxn:4:212649:224746,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)C1,CINLLMYEXAPYTL-UHFFFAOYSA-N
-rxn:4:212661:224746,COc1ccc(CN2CCC(COc3ncc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cn3)CC2)cc1,PPBIGJUVQZUQPG-UHFFFAOYSA-N
-rxn:4:212665:224462,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)C1,FBCQBXSSUKAAAJ-UHFFFAOYSA-N
-rxn:4:212665:224746,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)C1,OZPTZGATMKGENV-UHFFFAOYSA-N
-rxn:4:212678:224771,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)C2)nc1,IAFRDEYCAVRZED-UHFFFAOYSA-N
-rxn:4:212697:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)Cc5cccc(C)c5)C4)nc3)cn2)CC1,FOHAJQWCAWSEHZ-UHFFFAOYSA-N
-rxn:4:212718:224421,COc1cccc(C2CC(c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3)=NN2C(=O)c2ccncc2)c1OC,AOVDELWMZNPICF-UHFFFAOYSA-N
-rxn:4:212721:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)cc1,MPFMWHZAFDWPEP-UHFFFAOYSA-N
-rxn:4:212781:224746,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c2)sc2cc(S(N)(=O)=O)ccc21,YZEHJZVJQGIEBC-UHFFFAOYSA-N
-rxn:4:212809:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCc4ccccc42)n3C)cc1,QXCGOOSPRKQAHG-UHFFFAOYSA-N
-rxn:4:212814:223477,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C1(C)C,PKAUNSRAGZOCHP-UHFFFAOYSA-N
-rxn:4:212833:225975,Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccccc3-c3ccnc(N4CCOCC4)c3Cl)nc2c1,GFQOWHORQFDSQW-UHFFFAOYSA-N
-rxn:4:212839:227445,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)c(C5CCC5)c4)ccn23)CC1,PMLMHYLJGFCIFF-UHFFFAOYSA-N
-rxn:4:212920:224653,COCCN1CCC(Oc2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)CC1,KWHTVNVJHQSRNW-UHFFFAOYSA-N
-rxn:4:212944:225187,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(Cl)ccc2CN2CCOCC2)CC1,MNQRRAGGBLPONE-UHFFFAOYSA-N
-rxn:4:212970:224159,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc2c1ccn2C(=O)OC(C)(C)C,YMQXLWXEZVBKNN-UHFFFAOYSA-N
-rxn:4:212987:224292,CCOC(=O)c1c(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)c(CN2CCCCC2)nn1C,NPYMCXNMBQWUGJ-UHFFFAOYSA-N
-rxn:4:212988:225276,CCCOc1cc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)ccc1C(F)(F)F,TYXXPIAFAKDGBY-UHFFFAOYSA-N
-rxn:4:212988:227222,CCN(CC)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cn1,HLAYNQHBZUKXQW-UHFFFAOYSA-N
-rxn:4:212988:227465,COCCOc1cncc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1,IWHKFPZTTDQZKW-UHFFFAOYSA-N
-rxn:4:212989:224718,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCOCC4)nc3)s2)CC1,XLKLWIBAWUDHHB-UHFFFAOYSA-N
-rxn:4:212989:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(Cl)cc3N3CCOCC3)s2)CC1,LDQSWQBKTVADAV-UHFFFAOYSA-N
-rxn:4:212989:228293,CN(C)CCn1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,OCWAXIRPXFHYFV-UHFFFAOYSA-N
-rxn:4:213013:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)C(C)CC)CC3)nc2)cc1,LHULNSNVFWAREO-UHFFFAOYSA-N
-rxn:4:213038:224746,CC(=O)N1CCN(c2ccc(-c3c[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,DJHBTGXJYVKOIV-UHFFFAOYSA-N
-rxn:4:213049:224746,CC(=O)N1CCN(c2ccc(-c3ccc(OCc4nc(C#N)c(N5CCC(C)CC5)o4)cc3)cn2)CC1,KNDBBGHJINUNFC-UHFFFAOYSA-N
-rxn:4:213061:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc1,DVAUWQYYXPAZBF-UHFFFAOYSA-N
-rxn:4:213075:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,KCPVASXGGIAKCR-UHFFFAOYSA-N
-rxn:4:213123:223030,CC(C)OC(=O)Nc1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,AOTOMTLQVFXLIX-UHFFFAOYSA-N
-rxn:4:213134:225358,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)OC)cc(C(F)(F)F)c3)cn2)CC1,JQBIDXLJKRHTSE-UHFFFAOYSA-N
-rxn:4:213135:224285,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)cc3F)cn2)CC1,VKJVCTZGGIAISW-UHFFFAOYSA-N
-rxn:4:213139:224931,CCN(CC)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc(C2CC2)n1,WWHTYJYUTTUAFG-UHFFFAOYSA-N
-rxn:4:213151:226792,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)nc3)cc(F)c2[N+](=O)[O-])CC1,BKSWAQAXDRJBBV-UHFFFAOYSA-N
-rxn:4:213180:223812,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)c(C)o1,JYELSBXNJDSMIE-UHFFFAOYSA-N
-rxn:4:213184:223814,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)CC2)nc1,VHFRQTDPUMTFFC-UHFFFAOYSA-N
-rxn:4:213192:225984,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,ADBOEODEHUYLNJ-UHFFFAOYSA-N
-rxn:4:213196:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CCOCC5)C4)nc3)cn2)CC1,JLXMONMYNIVORM-UHFFFAOYSA-N
-rxn:4:213198:225433,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3ccc(CSC4CCCC4)cc3)c2)nc1C,QNWIKESGOFKFNR-UHFFFAOYSA-N
-rxn:4:213199:222442,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,ZGCAOVQLPVPICP-UHFFFAOYSA-N
-rxn:4:213237:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1,IUCIXEIEEPUBNG-DEOSSOPVSA-N
-rxn:4:213259:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c(C)c1,CPZGXGCFMUXJPZ-UHFFFAOYSA-N
-rxn:4:213262:222935,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)cc1,DIKFLKUSPCBGPK-UHFFFAOYSA-N
-rxn:4:213263:224746,CC(=O)N1CCN(c2ccc(-c3cccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)c3)cn2)CC1,JBZWBVYTSSOMAX-UHFFFAOYSA-N
-rxn:4:213268:223061,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,ULKHVZSFHGAXCA-QYBDOPJKSA-N
-rxn:4:213268:224864,CC(C)N(Cc1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1)C(C)C,PSESMVCBVCKHMT-IADCTJSHSA-N
-rxn:4:213268:225825,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,SJXNJIDTCQGRSP-CPJSRVTESA-N
-rxn:4:213268:226662,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,LHXXWQRNSMMJNV-CVDCTZTESA-N
-rxn:4:213279:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)cn2)CC1,RABIJJFRWZQQII-UHFFFAOYSA-N
-rxn:4:213285:224746,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)C2)c1,HZLOIULXPGQJNS-UHFFFAOYSA-N
-rxn:4:213337:222871,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3s2)CC1,NWLZECIPYIMBCF-UHFFFAOYSA-N
-rxn:4:213353:224890,O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2ccncc2-c2cc(C3CC3)cc(N3CCCC3)c2)C1,RVHDXPMWNVYJPZ-UHFFFAOYSA-N
-rxn:4:213388:226488,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(OCCCF)c(F)c4)ccnc32)CC1,SDRRTYSETDLGJZ-UHFFFAOYSA-N
-rxn:4:213406:222935,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3s2)CC1,LFFWFUQONQEVHZ-UHFFFAOYSA-N
-rxn:4:213415:227002,CCCOc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)c(C)c1,PAIFCLGVIUFXFM-UHFFFAOYSA-N
-rxn:4:213444:225089,CCCCCOc1ccc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)c(F)c1F,QPSTXWURYWLYSD-UHFFFAOYSA-N
-rxn:4:213624:223992,CCC(C)N1CC(Cn2cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)C1,SXSBGYZAHMUPOQ-UHFFFAOYSA-N
-rxn:4:213653:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,DJAFKKWEGNMGFS-UHFFFAOYSA-N
-rxn:4:213725:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CC(c5nc(C6CC6)no5)C4)cc3)ccc2C)CC1,QLAVFEKZXZIJPO-UHFFFAOYSA-N
-rxn:4:213756:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c2ccccc12,HQNYNRKCSMXKHB-UHFFFAOYSA-N
-rxn:4:213799:224758,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)ncn2)C1,WKFASVULDPKBFX-UHFFFAOYSA-N
-rxn:4:213800:224718,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCOCC3)nc2)ncn1,GEMBEUDPGLKGCE-UHFFFAOYSA-N
-rxn:4:213834:223674,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(COc4cc(C(F)(F)F)ccc4Cl)cc3)cn2)C1,MDNWQVXIPALESJ-UHFFFAOYSA-N
-rxn:4:213840:223079,CC(C)NS(=O)(=O)c1cccc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)c1,ZNHMQNRDRTZDBX-UHFFFAOYSA-N
-rxn:4:213844:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)cc1,WBOALYJFFWVQDF-UHFFFAOYSA-N
-rxn:4:213860:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1,YHNFDHDRWZCTAO-UHFFFAOYSA-N
-rxn:4:213897:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnccc1N1CCN(C(=O)OC(C)(C)C)CC1,KNGNNENPKDGMPH-UHFFFAOYSA-N
-rxn:4:213897:225898,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnn(CCN3CCOCC3)c2)CC1,YLLKBMCXDVGXFU-UHFFFAOYSA-N
-rxn:4:213902:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,PFGOWWDPIVMJKL-UHFFFAOYSA-N
-rxn:4:213910:223285,CS(=O)(=O)Nc1ccccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,YIQFCXWAOSEINL-UHFFFAOYSA-N
-rxn:4:213910:225997,CCOc1ncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1C(F)(F)F,VMXMNYYVPGOIPV-UHFFFAOYSA-N
-rxn:4:213910:226482,COCCOc1ncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1C,FQPUNVZRUXDUJH-UHFFFAOYSA-N
-rxn:4:213933:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,RZZQGJOLVSZIIE-UHFFFAOYSA-N
-rxn:4:213937:222819,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2=O)ccn1,YIBXHAACWONZSH-UHFFFAOYSA-N
-rxn:4:213944:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1F,KAUUGLFFBXXAEL-UHFFFAOYSA-N
-rxn:4:213948:224974,CN1CCN(Cc2ccccc2-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)CC1,RTEUCEULSIXGPF-UHFFFAOYSA-N
-rxn:4:213950:223490,Cc1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GOGQOGPDIZBBHK-UHFFFAOYSA-N
-rxn:4:213955:222590,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cn2)CC1,TYYQZLSZFQGIMG-UHFFFAOYSA-N
-rxn:4:213978:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)cn2)CC1,JJTWBNDDQHYPID-UHFFFAOYSA-N
-rxn:4:213989:224683,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)c1)N1CCCCC1,SQVGNKTYSJBKCS-UHFFFAOYSA-N
-rxn:4:214013:222935,COc1cc(N2CCN(C(=O)c3cccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)c3C)CC2=O)ccn1,LYQISMGTZUQKGS-UHFFFAOYSA-N
-rxn:4:214021:224781,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3ccc(C4CCCO4)c(C(F)(F)F)c3)C2)n1,XIVKGHCJIZSARH-UHFFFAOYSA-N
-rxn:4:214027:223163,CCNC(=O)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1F,LPQSDRLMKDZGLB-UHFFFAOYSA-N
-rxn:4:214029:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,OBRQPEGYKPTNOF-UHFFFAOYSA-N
-rxn:4:214033:227058,COc1ccc(C2CC2)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,HKCBTZGHOYPDPE-DNQXCXABSA-N
-rxn:4:214049:223279,N#CC1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,IYOTYWSXBMZZSF-UHFFFAOYSA-N
-rxn:4:214054:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc(C2CCNCC2)n1,VTMSEVXGLMYEHT-UHFFFAOYSA-N
-rxn:4:214056:222632,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cccc(C(=O)NCCN5CCCC5)c4)o3)S2)CC1,WTAGXPHZDXDHFY-UHFFFAOYSA-N
-rxn:4:214060:222942,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccc(S(=O)(=O)NC5CC5)c(F)c4)c3)CC2)C1,IPQXHRIJVLKOMQ-UHFFFAOYSA-N
-rxn:4:214063:222732,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1,JRWBUPIALPJJLU-UHFFFAOYSA-N
-rxn:4:214070:224685,O=C1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)CC1,MRVCHPJCYRNQAF-UHFFFAOYSA-N
-rxn:4:214071:223288,CNS(=O)(=O)c1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)c1,MYXUCCFNMWECMY-UHFFFAOYSA-N
-rxn:4:214075:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)c1Cl,LIQQMPUXIMCYEL-UHFFFAOYSA-N
-rxn:4:214085:223104,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc2)N=C1C1CCCCC1,WUGXTXAVUSLHBJ-UHFFFAOYSA-N
-rxn:4:214181:223812,CCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,BEIICOLBUZNUKV-UHFFFAOYSA-N
-rxn:4:214185:225270,CCCOc1ccc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1C(F)(F)F,VHYWBSAAJJQOID-UHFFFAOYSA-N
-rxn:4:214191:225105,CCN(CC)C(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C(C)=O)CC4)c3c2)cc1F,MTIXXECTNYWOPA-UHFFFAOYSA-N
-rxn:4:214193:224592,CC(Oc1nn(C)c2ccc(-c3cc(C4(C#N)CCCCC4)ccc3F)cc12)C(=O)N1CCSCC1,UBTZGSNRATZCIA-UHFFFAOYSA-N
-rxn:4:214223:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)o2)CC1,XCMJIRPDQCSNAZ-UHFFFAOYSA-N
-rxn:4:214252:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)cc1,BYFJQPZTZQILPR-UHFFFAOYSA-N
-rxn:4:214254:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc4c(cnn4[Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,QQQMRLPJFTYJEE-UHFFFAOYSA-N
-rxn:4:214257:224291,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cn1,MGBSAMUTVNNCMP-UHFFFAOYSA-N
-rxn:4:214294:223978,CC(C)(C)OC(=O)c1ccc(-c2cnc(OCC3CCCN(C4Cc5ccccc5C4)C3)nc2)cc1C(F)(F)F,NBCMCHDWEGWFJF-UHFFFAOYSA-N
-rxn:4:214335:225324,CC(C)CCn1cc(-c2ccccc2CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)c(C(F)(F)F)n1,NWTKAAMOLXNZDH-UHFFFAOYSA-N
-rxn:4:214336:222935,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)CC1,MGSFSMDOBXSCER-UHFFFAOYSA-N
-rxn:4:214358:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)c1,WNWVXNVTDSQVBE-UHFFFAOYSA-N
-rxn:4:214379:228169,CCOc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc1Cl,QIQUMQLDVHUZIK-UHFFFAOYSA-N
-rxn:4:214390:225984,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(Cl)c(N5CCOCC5)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,BINCFZKQUQDXLR-UHFFFAOYSA-N
-rxn:4:214603:223838,CC(C(=O)N1CCCC1)n1cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cn1,VGCFZNQLNVDBSH-UHFFFAOYSA-N
-rxn:4:214631:222694,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,PHZTUPCPOYBBSG-UHFFFAOYSA-N
-rxn:4:214631:224394,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCOCC1,KCMUVKPNLAOSRL-UHFFFAOYSA-N
-rxn:4:214653:223951,COC1CCN(c2ncc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc2[N+](=O)[O-])CC1,ZLFZJIJBPVZZNK-UHFFFAOYSA-N
-rxn:4:214660:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)c2)CC1,PYZZXRUFDQEMQJ-UHFFFAOYSA-N
-rxn:4:214681:224627,CN(C)C1CN(C(=O)c2ccc(-c3cn(C)nc3CN3CCCCC3C(F)(F)F)cc2)C1,STFDBOVSCMPUJM-UHFFFAOYSA-N
-rxn:4:214705:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,XIKCKYQDMXCMKE-UHFFFAOYSA-N
-rxn:4:214706:222442,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)C1,FVIPNNSQQPLQHP-UHFFFAOYSA-N
-rxn:4:214709:224663,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cn2)CC1,CNIOIEDVRRAPGY-UHFFFAOYSA-N
-rxn:4:214709:224666,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)CC1,OYPYEJTZBMAKSN-UHFFFAOYSA-N
-rxn:4:214709:224667,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cn2)CC1,OBBZXPXEOYANRK-UHFFFAOYSA-N
-rxn:4:214709:224705,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(C)CC4)c(F)c3F)cn2)CC1,DSKOAFPOPJQGMI-UHFFFAOYSA-N
-rxn:4:214710:224704,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,AKSOEWXEGVJOAH-UHFFFAOYSA-N
-rxn:4:214710:224782,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,SUCWNVYKJIPNBO-UHFFFAOYSA-N
-rxn:4:214722:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4nccs4)CC3)c2)CC1,VWPZZXGJUOMEKC-UHFFFAOYSA-N
-rxn:4:214730:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)C1,XWQQZGFTVCYKET-UHFFFAOYSA-N
-rxn:4:214746:224195,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)ccc2Cl)CC1,PJWDNCAJSCRHGN-UHFFFAOYSA-N
-rxn:4:214753:225294,CCN1CCN(c2ncc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)cn2)CC1,NTRWXCPXJJIZAB-UHFFFAOYSA-N
-rxn:4:214763:224199,CCCN1CCN(c2ncc(C)cc2-c2ccc(CN3CCN(C(C)=O)CC3)cc2)CC1,POWMEIBJONJYDT-UHFFFAOYSA-N
-rxn:4:214802:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,VVHFGCFXZGTWED-UHFFFAOYSA-N
-rxn:4:214803:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,OPYCERDBSFXKFC-UHFFFAOYSA-N
-rxn:4:214820:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c2Cl)CC1,FZUDYIWBQBTZRV-UHFFFAOYSA-N
-rxn:4:214829:222701,O=C(C1CN(c2ncccc2-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)CCO1)N1CCSCC1,DLQLOUUVSQMDSC-UHFFFAOYSA-N
-rxn:4:214829:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,SPEAAYJDAZWCEH-UHFFFAOYSA-N
-rxn:4:214835:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,HKQVQQVOZQYIHJ-UHFFFAOYSA-N
-rxn:4:214836:223195,CC(C)NCc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,SBOMJFHTALCONJ-UHFFFAOYSA-N
-rxn:4:214837:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1,AGAYXDLLGSHNFB-UHFFFAOYSA-N
-rxn:4:214838:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2Cl)CC1,DQLFGQDKFAFGNB-UHFFFAOYSA-N
-rxn:4:214838:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,ZNJZTDLBXOMMNM-UHFFFAOYSA-N
-rxn:4:214855:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1,UMPOPCDRCCNKCM-UHFFFAOYSA-N
-rxn:4:214867:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,FGBVBQPAVDULQE-UHFFFAOYSA-N
-rxn:4:214871:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MFCXKOSIHFRLGZ-UHFFFAOYSA-N
-rxn:4:214872:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,NNNQDMPOGSOJRH-UHFFFAOYSA-N
-rxn:4:214875:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,LJNSSZZRLBTCQS-UHFFFAOYSA-N
-rxn:4:214896:225902,CON(C)C(=O)c1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc1F,PZVYOWLJJWGNMI-UHFFFAOYSA-N
-rxn:4:214898:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc(N3C(=O)CC(N4CCN(c5cccc(Cl)c5)CC4)C3=O)cc2)cc1,DUAOLCMGUZMMLT-UHFFFAOYSA-N
-rxn:4:215087:223594,COc1cc(C)c(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)n1nnc2ccccc21,XUXSZQJDYCNMIM-UHFFFAOYSA-N
-rxn:4:215094:224267,Cn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cccc(N4CCC5(CC4)OCCO5)c3)ccc21,OTOSYGKSTJCNFX-UHFFFAOYSA-N
-rxn:4:215099:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn4c3CN(C(=O)OC(C)(C)C)[C@H](C)C4)cnc21,ZRWTWHHKDLCJSN-HXUWFJFHSA-N
-rxn:4:215198:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)CC1,MSKHYABRZVFEOV-SOHZNPICSA-N
-rxn:4:215202:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,AGUOQZOFOMXQKX-UHFFFAOYSA-N
-rxn:4:215295:226111,CC(C)(C)OCc1ccccc1-c1cnc2n1CCc1ccccc1C21CCN(C(=O)OC(C)(C)C)CC1,DCDFBIHTOKVFCN-UHFFFAOYSA-N
-rxn:4:215707:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C#N)c(N4CCOCC4)c3)cc2F)CC1,UEXWXXAGDOYQCJ-UHFFFAOYSA-N
-rxn:4:215708:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,FYYHMMJMJRDQRF-UHFFFAOYSA-N
-rxn:4:215872:223845,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)n2)CC1,HWHDDCRIDPGDIM-UHFFFAOYSA-N
-rxn:4:215880:223845,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,AXRZULZEXJLOGC-UHFFFAOYSA-N
-rxn:4:215891:223831,COc1ccc(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1,HSKSYBUVMQYNJE-UHFFFAOYSA-N
-rxn:4:215938:222540,CC(=O)N1CCCN(c2ncccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)CC1,NITAKPDJDMCENH-UHFFFAOYSA-N
-rxn:4:215950:223491,CCN1CCN(c2ncc(C)cc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)CC1,ZMTYQSMOTYYFJM-UHFFFAOYSA-N
-rxn:4:215950:223998,CCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,XRNJWEPBHBMACV-UHFFFAOYSA-N
-rxn:4:215965:223542,CC1CCN(c2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)nc(C3CC3)n2)CC1,DMRICRZNKXYEEC-UHFFFAOYSA-N
-rxn:4:216354:227762,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cccc(Cl)c3C(F)(F)F)cc1C1CC(c3ccccc3)=NN12,AOCPDEUPZGDWSK-UHFFFAOYSA-N
-rxn:4:217124:223480,Cc1cc(-c2cnc(N3CCOCC3)n2C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NQAXOWKMZUVVFO-UHFFFAOYSA-N
-rxn:4:217207:223712,COc1ccc(-c2nc(C)cc(N3CCCCC3C)n2)cc1C12CC3CC(CC(C3)C1)C2,IZLWAJWYKBYTCA-UHFFFAOYSA-N
-rxn:4:217210:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCN(C)CC1,GILHNTNLNPNCNW-UHFFFAOYSA-N
-rxn:4:217889:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,MMHSXLOHVRHQJV-UHFFFAOYSA-N
-rxn:4:218588:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1,ADHYTUZUGYCJAT-UHFFFAOYSA-N
-rxn:4:218662:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)cn2)CC1,WGQVOERYUJVMFT-UHFFFAOYSA-N
-rxn:4:218663:225566,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(OCC5(C)COC5)cc4)cn3)CC2)cc1,KPTOGPSSCXKBBM-UHFFFAOYSA-N
-rxn:4:218665:225984,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)c1,VABQIXRXUUBWJI-UHFFFAOYSA-N
-rxn:4:218666:222584,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)C2)nn1,ISABVJCYGKJPMF-UHFFFAOYSA-N
-rxn:4:218690:222716,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(-c5ccc(S(=O)(=O)NC6CCCC6)c(F)c5)cc4)CC3)[nH]n2)cc1,UYOPWIJDVPSABF-UHFFFAOYSA-N
-rxn:4:218700:222935,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,BSWDVPSECAPAAT-UHFFFAOYSA-N
-rxn:4:218710:222506,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5cccc(F)c5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZHOXSYAQXHZYLE-UHFFFAOYSA-N
-rxn:4:218710:223358,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(C)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZYYCVFQJPRBWOR-UHFFFAOYSA-N
-rxn:4:218710:225190,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UFBROEFXLQDTCC-UHFFFAOYSA-N
-rxn:4:218710:225477,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccc(C)c5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UFHPWLDYGIBRMI-UHFFFAOYSA-N
-rxn:4:218711:225954,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cnccn4)cc3F)CC2)CC1,HGEVQWPKWPDPAE-UHFFFAOYSA-N
-rxn:4:218711:227725,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4ccnc4)nc3)CC2)CC1,PILJBAKIXNGIES-UHFFFAOYSA-N
-rxn:4:218745:224496,CCN1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)c2)CC1,YYEHRGCNGHVUCW-UHFFFAOYSA-N
-rxn:4:218773:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc1,JIEQPYUFPDITKT-UHFFFAOYSA-N
-rxn:4:218786:227729,Cc1nn(-c2cscn2)cc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,CCZZRADYZLYIPJ-UHFFFAOYSA-N
-rxn:4:218867:225191,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCCC4)cc3F)c2)no1,JFZGNQYISSENGX-UHFFFAOYSA-N
-rxn:4:218867:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)no1,HVWWSIXQBFRJEA-UHFFFAOYSA-N
-rxn:4:218867:226176,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccncc3C3CCCCC3)c2)no1,NRDXSSXAKWAJHN-UHFFFAOYSA-N
-rxn:4:218868:225408,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)no1,VKOFQCHTFUNVKE-UHFFFAOYSA-N
-rxn:4:218877:223094,CC(=O)Nc1cc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)ccc1[N+](=O)[O-],QVEQADXFRRNPLH-UHFFFAOYSA-N
-rxn:4:218877:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c(F)c2)CC1,MOKROIOPAGCYTN-UHFFFAOYSA-N
-rxn:4:218878:222542,Cc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1OCCCN1CCNCC1,KFTBIAAGSCCXQY-UHFFFAOYSA-N
-rxn:4:218878:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1F,UEDDEYVLNFURLC-UHFFFAOYSA-N
-rxn:4:218887:224372,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cn2)CC1,SBVUAKFJRGUMGY-UHFFFAOYSA-N
-rxn:4:218888:223838,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,CWFKWWVLRKCKSF-UHFFFAOYSA-N
-rxn:4:218894:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)c1,FSOUNYVPJIXUKL-UHFFFAOYSA-N
-rxn:4:218909:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(Cc3ccccn3)C2)nc1,BEZHVTYFXUBQBD-UHFFFAOYSA-N
-rxn:4:218944:222929,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2[N+](=O)[O-])CC1,XPDCRFDQSFTSIN-UHFFFAOYSA-N
-rxn:4:218944:228210,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCCC4)s3)cc2[N+](=O)[O-])CC1,LEGJWFBTFBUOLY-UHFFFAOYSA-N
-rxn:4:218948:222848,CCc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CCCNC2)n1,MSMNEBDHHGOTBZ-UHFFFAOYSA-N
-rxn:4:218964:222716,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)CC1,DGEPQZMEOOPKAF-UHFFFAOYSA-N
-rxn:4:218971:223945,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)s1,NABHJVPPOYWTAZ-UHFFFAOYSA-N
-rxn:4:218972:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c2)CC1,SKXMKIJDJCAOAB-UHFFFAOYSA-N
-rxn:4:218973:222546,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,WTVSMLZMZDEIKL-UHFFFAOYSA-N
-rxn:4:218998:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cn2)CC1,GCMGNTYWFNSOQE-UHFFFAOYSA-N
-rxn:4:219028:224418,CC1CN(C(=O)c2cnn(C)c2-c2cccc3c2-c2ccccc2C3(C)C)CCN1C(=O)OC(C)(C)C,QKYMIMIMNZFXKD-UHFFFAOYSA-N
-rxn:4:219034:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)cn2)CC1,YSXWNIOBMIMEBY-UHFFFAOYSA-N
-rxn:4:219050:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3csc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)n3)cc2)cc1,KFBSVPOXDQHIRG-UHFFFAOYSA-N
-rxn:4:219061:223872,CCN(C(=O)c1cccc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c1)C1CCCCC1,GPLPFNYIPYOABK-UHFFFAOYSA-N
-rxn:4:219067:225427,CCCCOc1c(C)cc(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)cc1C,VMAFTCVJTKVMTK-UHFFFAOYSA-N
-rxn:4:219073:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)cc1,ZCEUBHSEFRTGNQ-UHFFFAOYSA-N
-rxn:4:219073:225434,O=C(c1ccc(-c2cccc(OCC3CCCC3)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,OCSKVEHAIQQZEO-UHFFFAOYSA-N
-rxn:4:219096:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)c1,LTEHENISWBUDAK-UHFFFAOYSA-N
-rxn:4:219130:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2Cl)CC1,CIXXULBEBBXWHF-UHFFFAOYSA-N
-rxn:4:219162:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nc2)cc1,GINMPBQMSZNBPS-UHFFFAOYSA-N
-rxn:4:219162:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)Cc5cn(C)c6ccccc56)CC4)nc3)cn2)CC1,UYAKOEARPQEQIK-UHFFFAOYSA-N
-rxn:4:219184:225975,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,KILHWZWUQLJQSA-UHFFFAOYSA-N
-rxn:4:219187:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)n3)cc2)cc1,VGBRNOPIAFZSRQ-UHFFFAOYSA-N
-rxn:4:219340:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)CC1,QOTNRWPUWWUMQF-UHFFFAOYSA-N
-rxn:4:219353:222604,COc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,LACJQPUKHAVRCQ-UHFFFAOYSA-N
-rxn:4:219381:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl,QATKUEIJAPRGEN-UHFFFAOYSA-N
-rxn:4:219404:223059,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(N4CCNCC4)cc3Cl)n2)CC1,AAKVQOVMIQIFIG-UHFFFAOYSA-N
-rxn:4:219410:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cc2)cc1,XTWJYLGKHMJBLW-UHFFFAOYSA-N
-rxn:4:219410:223174,CCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,PKZYPFNIDKMZII-UHFFFAOYSA-N
-rxn:4:219433:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c2)CC1,VNYSSUZATLOLMY-UHFFFAOYSA-N
-rxn:4:219468:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1OCC,SFJOTRWLPHCUNJ-UHFFFAOYSA-N
-rxn:4:219469:224481,CSc1ncc(-c2ccc(OCCCN3CCCC3)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,DKSZNOHTHZZGSN-UHFFFAOYSA-N
-rxn:4:219479:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc1,WHYFOSNZSJTKLI-UHFFFAOYSA-N
-rxn:4:219479:224746,CC(=O)N1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cn2)CC1,VDYNOMZNSHGQDM-UHFFFAOYSA-N
-rxn:4:219501:228205,CSc1ncc(-c2ccc(N(C)C)c(Cl)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,HQHUUOGDDLHDPM-UHFFFAOYSA-N
-rxn:4:219506:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,FKVIUAJYVRBXKT-UHFFFAOYSA-N
-rxn:4:219506:224501,CN1CCCCC1COc1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1,BPBVZCRQINVHIN-UHFFFAOYSA-N
-rxn:4:219521:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)o3)c(Cl)c2)CC1,IUBRFFFNNONEEW-UHFFFAOYSA-N
-rxn:4:219530:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,IJIUZVDCGJMXFM-UHFFFAOYSA-N
-rxn:4:219536:223054,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(C(C)N5CCC(O)C5)s4)o3)CC2)cn1C,UVBZCWFNIDKVIF-UHFFFAOYSA-N
-rxn:4:219543:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(C)c5C#N)CC4)cc3)cn2)CC1,ZZCBJCQXBBIZHX-UHFFFAOYSA-N
-rxn:4:219543:225666,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)CC2)n1,VFACOXVYANUXKM-UHFFFAOYSA-N
-rxn:4:219543:225833,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,DEFJEWVDRMMHER-UHFFFAOYSA-N
-rxn:4:219543:225849,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,OUNJAFIIZADFRI-UHFFFAOYSA-N
-rxn:4:219543:225859,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,RYMIFWPCZGOBDI-UHFFFAOYSA-N
-rxn:4:219559:223826,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)o2)CC1,RIKKMNKUAZPFAG-UHFFFAOYSA-N
-rxn:4:219565:225833,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,CAANUCDFBLTWQV-UHFFFAOYSA-N
-rxn:4:219565:225849,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,AWNGHJVWIBYXMP-UHFFFAOYSA-N
-rxn:4:219565:226412,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCCC5)c4)cc3)CC2)n1,PMVRHYGNHHFQBF-UHFFFAOYSA-N
-rxn:4:219565:226417,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(N5CCCC5)c4)cc3)CC2)n1,XPJKABOBQLRODL-UHFFFAOYSA-N
-rxn:4:219565:226655,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4N4CCCC4)cc3)CC2)n1,GUPQDIRHDLAURS-UHFFFAOYSA-N
-rxn:4:219565:226658,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)nc4F)cc3)CC2)n1,NCZGEWNQXNWPHE-UHFFFAOYSA-N
-rxn:4:219565:226659,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2)n1,SGSJUWDVSBPQRF-UHFFFAOYSA-N
-rxn:4:219565:226679,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)cc4F)cc3)CC2)n1,ONQLDFKWNAJBLD-UHFFFAOYSA-N
-rxn:4:219624:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)CC1,UYAKFEVOZUHHHY-UHFFFAOYSA-N
-rxn:4:219641:224326,Cc1cc(-c2cccnc2OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)ccc1S(=O)(=O)N1CCCCC1,SIERJOYOYQBNFQ-UHFFFAOYSA-N
-rxn:4:219651:223816,COc1ccc(-c2cc3c(Cl)ccnc3n2COCC[Si](C)(C)C)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,FIWCTTUKENLAAX-UHFFFAOYSA-N
-rxn:4:219678:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C#N)cn3)CC2C1,SDWIAXORUJICQB-UHFFFAOYSA-N
-rxn:4:219678:225762,CC(C)COc1cc(-c2ccccc2S(=O)(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)cc(Cl)c1F,SUYFUTZIGLDSNB-UHFFFAOYSA-N
-rxn:4:219704:225977,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3n2)CC1,SWCSWZWBNFMTSH-UHFFFAOYSA-N
-rxn:4:219750:225977,COc1ccc(-c2cc(Cl)cnc2N2CCOCC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,ISRXEBXIFOMZQD-UHFFFAOYSA-N
-rxn:4:219876:223945,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,NGMXWNLUKLEIHV-UHFFFAOYSA-N
-rxn:4:219902:222584,CC(C)N1CCN(c2c(-c3ccc(OCCCN4CCNCC4)c(F)c3)cncc2[N+](=O)[O-])CC1,FQAQRLLZECOFHQ-UHFFFAOYSA-N
-rxn:4:219937:222694,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)n3)C2)c1,STKBTYOQHIUGOK-UHFFFAOYSA-N
-rxn:4:219959:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2s1,BJFRRNSLWWHEGV-UHFFFAOYSA-N
-rxn:4:220021:222513,CCCC(=O)N1CCn2nc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)nc2C1,TWFRGSJBSQBXIJ-UHFFFAOYSA-N
-rxn:4:220024:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3c(C#N)ccc4c(-c5nc(Cl)ncc5C(F)(F)F)c[nH]c34)cn2)CC1,VEUUOTVEKNLBTN-UHFFFAOYSA-N
-rxn:4:220136:223831,COc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCC(C)CC1,VGVDHBVXCRANRG-UHFFFAOYSA-N
-rxn:4:220158:224394,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCOCC1,MLTDVCDMZHFCIK-UHFFFAOYSA-N
-rxn:4:220194:222935,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)c(C)c4)C3C2=O)cc1,BXEDWLNERNHIOF-UHFFFAOYSA-N
-rxn:4:220194:224746,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(N6CCN(C(C)=O)CC6)nc5)c(C)c4)C3C2=O)cc1,VZOIHGWANQKLOW-UHFFFAOYSA-N
-rxn:4:220205:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,LGQCTTDYQDIJDB-UHFFFAOYSA-N
-rxn:4:220221:224325,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc2)OC3)CC1,NGXDPBHATFCYOJ-UHFFFAOYSA-N
-rxn:4:220221:225313,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,XEXLYSDYUBTAGS-UHFFFAOYSA-N
-rxn:4:220540:224702,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(F)c(OC6CCCC6)c(F)c5C)cc4)C3C2=O)c1,HCOJNRDSWHENPG-UHFFFAOYSA-N
-rxn:4:220544:223682,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5c(C(F)(F)F)ccc6c5cnn6C5CCCCO5)c(C)c4)C3C2=O)cc1F,QUOPMSHMTOJAGK-UHFFFAOYSA-N
-rxn:4:220547:222931,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(Cl)c(N6CCCCC6O)c5)c(C)c4)C3C2=O)c1,RKSSXKFVMRFOEO-UHFFFAOYSA-N
-rxn:4:220899:223574,Cn1c(=O)n(C)c2nc([N+](=O)[O-])c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,CVJAOVOFXONWKF-UHFFFAOYSA-N
-rxn:4:221097:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnc(OC2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)nc1,NGCSTTDNAZSHKJ-UHFFFAOYSA-N
-rxn:4:221103:222935,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cn3)C2)cn1,QVTBUCCGMPDYTR-UHFFFAOYSA-N
-rxn:4:221110:229161,COc1ncncc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,IGKBNKIYAJLSBV-UHFFFAOYSA-N
-rxn:4:221117:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c2)CC1,RHBAHXNIQCBZEL-UHFFFAOYSA-N
-rxn:4:221126:226482,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cnc(OCCOC)c(C)c5)cc4)nnn3c3ccsc23)C1,YTQJBOCAJVQGLM-UHFFFAOYSA-N
-rxn:4:221127:223569,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cc4)nnn3c3ccsc23)CC1,DALGCPMMPNYSBN-UHFFFAOYSA-N
-rxn:4:221129:222935,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)cc4)nnn3c3ccccc23)CC1,NXRNLGUSYPUIPZ-UHFFFAOYSA-N
-rxn:4:221145:222822,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1S(=O)(=O)NC1CC1,JYJPGBZAYZSZOY-UHFFFAOYSA-N
-rxn:4:221163:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,KLDBDCPFFWVFPD-UHFFFAOYSA-N
-rxn:4:221169:223813,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)cn1,UEEYNMBILYGLSO-UHFFFAOYSA-N
-rxn:4:221169:224396,Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,MEBNZDXSJYAPEJ-UHFFFAOYSA-N
-rxn:4:221172:223650,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)ccc1=O,QUPPYGRJVOIASA-UHFFFAOYSA-N
-rxn:4:221174:223815,Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Cn2cc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cn2)C1,GOJFPDHHVSVXMS-UHFFFAOYSA-N
-rxn:4:221175:223252,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)c5c(c4)NCCO5)cn3)C2)C(=O)C1=O,XTFLXWHDEMACIY-UHFFFAOYSA-N
-rxn:4:221175:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)N3CCN(CC)C(=O)C3=O)C2)nc1,PXIHCTVJNYJSNA-UHFFFAOYSA-N
-rxn:4:221175:227206,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc5c(c4C)COC5=O)cn3)C2)C(=O)C1=O,CSBGVSHOPQLTIB-UHFFFAOYSA-N
-rxn:4:221175:227402,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)nc(C(C)(C)C)c4)cn3)C2)C(=O)C1=O,PSYFJPAKOVXHGC-UHFFFAOYSA-N
-rxn:4:221175:227415,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)(C)C)nc4F)cn3)C2)C(=O)C1=O,IDPQHMKPKJKTBK-UHFFFAOYSA-N
-rxn:4:221175:228079,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc5c4COC5=O)cn3)C2)C(=O)C1=O,RKBSHWGPJHHOSX-UHFFFAOYSA-N
-rxn:4:221175:228224,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cc(C)c4Cl)cn3)C2)C(=O)C1=O,MNPMLNVYACGKMA-UHFFFAOYSA-N
-rxn:4:221175:228226,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cc(Cl)c4C)cn3)C2)C(=O)C1=O,DTOSTFPAQPBCMJ-UHFFFAOYSA-N
-rxn:4:221175:228242,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(F)cc4OC)cn3)C2)C(=O)C1=O,JFCJXZAPTOWMOV-UHFFFAOYSA-N
-rxn:4:221175:228252,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccc(C)c4F)cn3)C2)C(=O)C1=O,UREGJPKCSAHLIR-UHFFFAOYSA-N
-rxn:4:221175:228267,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(C)c4OC)cn3)C2)C(=O)C1=O,FWUYOPBCQQVLKU-UHFFFAOYSA-N
-rxn:4:221175:228270,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(Cl)cc4OC)cn3)C2)C(=O)C1=O,UVCPEPZDJKFUDK-UHFFFAOYSA-N
-rxn:4:221175:228272,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(OC)c4F)cn3)C2)C(=O)C1=O,MMIHSMJSOLXPAW-UHFFFAOYSA-N
-rxn:4:221175:228276,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C)c4OC)cn3)C2)C(=O)C1=O,JUWZUKCACUXQDQ-UHFFFAOYSA-N
-rxn:4:221175:228635,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C)c4C)cn3)C2)C(=O)C1=O,YBCYANXSRNAOHQ-UHFFFAOYSA-N
-rxn:4:221175:228638,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)cc(C)c4Cl)cn3)C2)C(=O)C1=O,LPNJNLMGFNDAFO-UHFFFAOYSA-N
-rxn:4:221175:228640,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C)c4C)cn3)C2)C(=O)C1=O,FHKIAPASOSNSLL-UHFFFAOYSA-N
-rxn:4:221175:228804,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(SC)c(Cl)c4)cn3)C2)C(=O)C1=O,UVDOLWPGROKEHL-UHFFFAOYSA-N
-rxn:4:221188:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccnc(C(C)C)n5)C4)nc3)cn2)CC1,IXIQVNZCWYLKSA-UHFFFAOYSA-N
-rxn:4:221198:224621,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCSCC5)cc4)cn3)CC2)nn1,KXBKRUZCKYXLID-UHFFFAOYSA-N
-rxn:4:221203:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CCN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)cn2)CC1,YIZKVULUJGICLF-UHFFFAOYSA-N
-rxn:4:221208:227274,CC(=O)SCc1ccc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1,XLGJYNIVAODZFJ-UHFFFAOYSA-N
-rxn:4:221209:222876,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)cc3)CC2)n1,VEUCSOVDABCUJS-UHFFFAOYSA-N
-rxn:4:221209:224759,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,QMXXGQQOQNEXMD-UHFFFAOYSA-N
-rxn:4:221209:224842,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)CC2)n1,PNPWJXFLLDJVAQ-UHFFFAOYSA-N
-rxn:4:221230:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)CCC6)C4)nc3)cc2)CC1,ZCRPRXQJTYGGMW-UHFFFAOYSA-N
-rxn:4:221232:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)c1,JEVRITLIFSIFET-UHFFFAOYSA-N
-rxn:4:221249:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCOCC6)c5F)cnn4c3)cc2)CC1,UITBHRLIHOOWLY-UHFFFAOYSA-N
-rxn:4:221267:222772,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(Cl)c(C(=O)NC4CCCC4)c3)cc2)n(C)c1=O,VOMVMXBZQZRXTL-UHFFFAOYSA-N
-rxn:4:221270:225977,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,YEWQKJXEOXYVRZ-UHFFFAOYSA-N
-rxn:4:221275:223699,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,HBJBCSMQPQQYAM-UHFFFAOYSA-N
-rxn:4:221299:223504,CSc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(N2CC(Cn3cc(Cl)cn3)C2)n1,BILUVWLYJZULGW-UHFFFAOYSA-N
-rxn:4:221348:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)cc2[N+](=O)[O-])CC1,ZBJXIXTWLYVHAO-UHFFFAOYSA-N
-rxn:4:221374:223595,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)c1=O,YBRIKAYEIGZLMG-UHFFFAOYSA-N
-rxn:4:221390:222389,COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NBZFTLUKOCPXKX-UHFFFAOYSA-N
-rxn:4:221402:222538,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)n1,PVXNSYGBDLCTJG-UHFFFAOYSA-N
-rxn:4:221411:226018,CSc1ccc(-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1OC(F)(F)F,PZITYHPYGAJZTH-UHFFFAOYSA-N
-rxn:4:221413:222751,Cc1ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc1NC(=O)OC(C)(C)C,QYXHZJXRMSISBA-UHFFFAOYSA-N
-rxn:4:221422:224746,CC(=O)N1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cn2)CC1,GENPCGHVBAEPCF-UHFFFAOYSA-N
-rxn:4:221424:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,PIFLQBMXPICQEH-UHFFFAOYSA-N
-rxn:4:221425:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,AMFRGKFXPHILME-UHFFFAOYSA-N
-rxn:4:221429:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,ZSFOEGLQOKWCOE-UHFFFAOYSA-N
-rxn:4:221429:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cn2)CC1,GBYUHLWWOGMCQM-UHFFFAOYSA-N
-rxn:4:221435:224746,CC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)cn2)CC1,GXUFOEFOAYFKLN-UHFFFAOYSA-N
-rxn:4:221438:223077,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)o3)CC2)nn1,TVHQIJPMVQXQLN-UHFFFAOYSA-N
-rxn:4:221441:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)c1,NFPOPDKZVQVIBV-UHFFFAOYSA-N
-rxn:4:221444:223169,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cnc(C4CCNCC4)nc3)CC2)n1,UIOIBGCKVYSYEK-UHFFFAOYSA-N
-rxn:4:221448:222935,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)n1,QPSTYQGBLPKPBY-UHFFFAOYSA-N
-rxn:4:221449:224820,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,NLBPOVUGTPKJPB-UHFFFAOYSA-N
-rxn:4:221453:222740,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cc3)CC2)n1,ZUNGWLIYHBYPSZ-UHFFFAOYSA-N
-rxn:4:221453:222915,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NC5=NCCS5)cc4)cc3)CC2)n1,IEYBAEWMANVLRD-UHFFFAOYSA-N
-rxn:4:221453:223104,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)n1,KPACDFHXIHDTOR-UHFFFAOYSA-N
-rxn:4:221453:223130,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CC(O)C5)cc4)cc3)CC2)n1,HVNFUWGJBZDADJ-UHFFFAOYSA-N
-rxn:4:221453:223131,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCNCC5)cc4)cc3)CC2)n1,QBESRZWRKZUVGH-UHFFFAOYSA-N
-rxn:4:221453:223142,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,MZZIOWFVWCHPEG-UHFFFAOYSA-N
-rxn:4:221453:223492,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,MTVHOIDXEOALQA-UHFFFAOYSA-N
-rxn:4:221453:223549,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(COc5c(C(C)C)cccc5C(C)C)cc4)cc3)CC2)n1,HEUSOKLNTCRXAN-UHFFFAOYSA-N
-rxn:4:221453:223550,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4COc4c(C(C)C)cccc4C(C)C)cc3)CC2)n1,IMHFODSYRORQSH-UHFFFAOYSA-N
-rxn:4:221453:223568,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)CC2)n1,UURIAOWFEYWQLB-UHFFFAOYSA-N
-rxn:4:221453:223639,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cc3)CC2)n1,YBBRTSRZVPIQTN-UHFFFAOYSA-N
-rxn:4:221453:223651,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cc3)CC2)n1,VSTQDGIDHJQNKW-UHFFFAOYSA-N
-rxn:4:221453:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)c2)c1,DJAPDNUHTNLYDU-UHFFFAOYSA-N
-rxn:4:221453:223786,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)n1,BIODTQMTMAFGAA-UHFFFAOYSA-N
-rxn:4:221453:223937,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc3)CC2)n1,OELYWFSUEYBPBW-UHFFFAOYSA-N
-rxn:4:221453:223954,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cc3)CC2)n1,BHPRQJSRWYJCOE-UHFFFAOYSA-N
-rxn:4:221453:224013,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(-c5ccc(C(F)(F)F)cc5)nc4Cl)cc3)CC2)n1,BZQZARJOVKCGSJ-UHFFFAOYSA-N
-rxn:4:221453:224120,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)c(C)c4)cc3)CC2)n1,IUXTUJROVLVEIR-UHFFFAOYSA-N
-rxn:4:221453:224416,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,IZGKTJBSMJDKPE-UHFFFAOYSA-N
-rxn:4:221453:224744,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)c(C(=O)OC(C)(C)C)cc4F)cc3)CC2)n1,GOUKCMVTMBOADK-UHFFFAOYSA-N
-rxn:4:221453:224775,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cc3)CC2)n1,GRMXNMJLCKOGKF-UHFFFAOYSA-N
-rxn:4:221453:224800,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(OC(C)C)c4)cc3)CC2)n1,WVKLLXMMQBANSC-UHFFFAOYSA-N
-rxn:4:221453:224970,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,FXSFQPHVECPENZ-UHFFFAOYSA-N
-rxn:4:221453:225305,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCC5)c(C(F)(F)F)c4)cc3)CC2)n1,RYNQACOPNBHZDK-UHFFFAOYSA-N
-rxn:4:221453:225472,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(N5CCCCC5C)c4)cc3)CC2)n1,IMVSQXMQKGOWOL-UHFFFAOYSA-N
-rxn:4:221453:225709,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN(C)C)nc4)cc3)CC2)n1,YVCLVRKWHHNUCH-UHFFFAOYSA-N
-rxn:4:221453:225740,CCCOc1c(Cl)cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1OC,LMKOQLNBJGYONE-UHFFFAOYSA-N
-rxn:4:221453:226119,Cc1ccc(OCC2CC2)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,MDWNHMGYZDCRAT-UHFFFAOYSA-N
-rxn:4:221453:226330,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)N5CCCC5)s4)cc3)CC2)n1,LQXSTBCDJDQAMC-UHFFFAOYSA-N
-rxn:4:221453:226428,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(N5CCCCC5C)cs4)cc3)CC2)n1,KBSIPIXAIYXTQA-UHFFFAOYSA-N
-rxn:4:221453:226504,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,LZWYIQXVYNGJQH-UHFFFAOYSA-N
-rxn:4:221453:226518,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C#N,ACSOCMLBLHJEPL-UHFFFAOYSA-N
-rxn:4:221453:226578,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N(C)C)c(Cl)c4)cc3)CC2)n1,AWVYVRBJWUBNPB-UHFFFAOYSA-N
-rxn:4:221453:227017,CC=CCOc1ccccc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,DINRHSINDFZCJR-UHFFFAOYSA-N
-rxn:4:221453:227054,COc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1C1CC1,WYRUDYKNKRLQCR-UHFFFAOYSA-N
-rxn:4:221453:227276,CCc1cc(N(C)C)ncc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,MDSXURGJJQPXMG-UHFFFAOYSA-N
-rxn:4:221453:227327,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(C)C)c(Cl)c4)cc3)CC2)n1,QYJNHZYRHXHMAM-UHFFFAOYSA-N
-rxn:4:221454:225101,CCN(CC)C(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)ccc1Cl,RZNJYSHNWRBEAY-UHFFFAOYSA-N
-rxn:4:221455:226721,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc(OC)n1,POOAGAAYYYFDSY-UHFFFAOYSA-N
-rxn:4:221456:222977,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CC5)ccc4C)cc3)CC2)n1,MRIUYJDTQIDOMI-UHFFFAOYSA-N
-rxn:4:221456:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cn2)CC1,CDQQUMVYWLSHOD-UHFFFAOYSA-N
-rxn:4:221456:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,MGJZXOQGRVSKJN-UHFFFAOYSA-N
-rxn:4:221456:226328,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)C#N)c(F)c4)cc3)CC2)n1,GYYIPWNXOPUCHJ-UHFFFAOYSA-N
-rxn:4:221456:226874,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(Cl)cccc4OC(F)(F)F)cc3)CC2)n1,UKEHNVWDJQVYNO-UHFFFAOYSA-N
-rxn:4:221625:222602,CC(C)Cc1cc(-c2cnc(N3CCC(Cn4cnccc4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,YOTOFGRIPIFYSR-UHFFFAOYSA-N
-rxn:4:221680:222602,CC(C)Cc1cc(-c2cnc(N3CC(Cn4nc5c(cc4=O)CCC5)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,AZZXPNHVQFEKNQ-UHFFFAOYSA-N
-rxn:4:221723:222828,O=c1cc2c(nn1CC1CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cn3)CC1)CCC2,QCLHBASBYJKWRL-UHFFFAOYSA-N
-rxn:4:221723:224022,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC1)CCC2,DZKHHBQGZGJYAT-UHFFFAOYSA-N
-rxn:4:221726:222988,Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,RPWYSKGXXIAIAQ-UHFFFAOYSA-N
-rxn:4:221726:223054,CC(c1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCC(O)C1,FLQAIRUCJHYSIH-UHFFFAOYSA-N
-rxn:4:221726:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,KTRQFZOWXAEPOW-UHFFFAOYSA-N
-rxn:4:221727:222602,CC(C)Cc1cc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)c(S(=O)(=O)NC(C)(C)C)s1,NWBPFUNZODCYAM-UHFFFAOYSA-N
-rxn:4:221832:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cnc2C1,GJGQKZCHFOEJSB-UHFFFAOYSA-N
-rxn:4:221935:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2)CC1,OQLLDAXWTDFZCY-UHFFFAOYSA-N
-rxn:4:221972:222788,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(F)c1,MCUBDJUTEGYITD-UHFFFAOYSA-N
-rxn:4:221975:222610,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,VKTOBTNOJBMIOW-UHFFFAOYSA-N
-rxn:4:221975:222658,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,WJQUGDRLZOYDQL-UHFFFAOYSA-N
-rxn:4:221975:222701,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,ZVPWLDSJLLQMLG-UHFFFAOYSA-N
-rxn:4:221975:222709,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,IAYNPHRLXCERKK-UHFFFAOYSA-N
-rxn:4:221975:222740,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)C)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,ODWCAJJCWSNBHN-UHFFFAOYSA-N
-rxn:4:221975:222791,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OC(C)(C)C)ccc6Cl)cc5)no4)C3C2=O)cc1,NSQMZSPABJJANQ-UHFFFAOYSA-N
-rxn:4:221975:222823,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,YFZGIJIMDSJQJK-UHFFFAOYSA-N
-rxn:4:221975:222835,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)CC(C)C)cc6)cc5)no4)C3C2=O)cc1,RJTDSCFQBFRDOI-UHFFFAOYSA-N
-rxn:4:221975:222847,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,GYSJWJIWGZXNJX-UHFFFAOYSA-N
-rxn:4:221975:222866,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,GMNNYXKECSEAJX-UHFFFAOYSA-N
-rxn:4:221975:222957,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,BJVWYFJTIZKOPX-UHFFFAOYSA-N
-rxn:4:221975:222960,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,WBHGKMSGZQTEKF-UHFFFAOYSA-N
-rxn:4:221975:222962,CCCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,GVLDUPBHLKISFF-UHFFFAOYSA-N
-rxn:4:221975:222983,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(O)C7)c6)cc5)no4)C3C2=O)cc1,OGLVGMPLTCKPTI-UHFFFAOYSA-N
-rxn:4:221975:222984,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)C7)cc6)cc5)no4)C3C2=O)cc1,GKAUDJDHWGEHID-UHFFFAOYSA-N
-rxn:4:221975:222986,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)nc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,AYUZJTYXLHWGQB-UHFFFAOYSA-N
-rxn:4:221975:222987,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)nc6C)cc5)no4)C3C2=O)cc1,WRTYZYYZKYEDTA-UHFFFAOYSA-N
-rxn:4:221975:222994,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,QKVZRSQVXXXDPV-UHFFFAOYSA-N
-rxn:4:221975:223009,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,XYECNQUSQWBMLL-UHFFFAOYSA-N
-rxn:4:221975:223022,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,IOWDIDAOEIGPKV-UHFFFAOYSA-N
-rxn:4:221975:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,RWCOALIHRFYKMW-UHFFFAOYSA-N
-rxn:4:221975:223079,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1,KYJJFPOWFITABL-UHFFFAOYSA-N
-rxn:4:221975:223084,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1,DQRNYSCXJGHQDR-UHFFFAOYSA-N
-rxn:4:221975:223095,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(C)=O)c6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,LHWPLVKZRPQLTC-UHFFFAOYSA-N
-rxn:4:221975:223603,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)c(OC(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1,BJKFOXIRIVPROY-UHFFFAOYSA-N
-rxn:4:221975:223660,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc5)no4)C3C2=O)cc1,BBWBUSUGEYCHFL-UHFFFAOYSA-N
-rxn:4:221975:223696,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)cc6)cc5)no4)C3C2=O)cc1,WZUJESPFPKSCAA-UHFFFAOYSA-N
-rxn:4:221975:223774,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(OC)cccc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,RLODUKCPZXGNHE-UHFFFAOYSA-N
-rxn:4:221975:223776,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)CCO7)cc5)no4)C3C2=O)cc1,IFFTVLBXKUVPGA-UHFFFAOYSA-N
-rxn:4:221975:223929,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,GJXFYSUWOGRGGK-UHFFFAOYSA-N
-rxn:4:221975:223992,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,CHYVZCDSTVPUTL-UHFFFAOYSA-N
-rxn:4:221975:224008,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCOCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,BBPDUQDQKIEZHN-UHFFFAOYSA-N
-rxn:4:221975:224078,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7c6ccn7[Si](C)(C)C(C)(C)C)cc5)no4)C3C2=O)cc1,GKAIXBXOTAWXSB-UHFFFAOYSA-N
-rxn:4:221975:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)CC1,KNBKWIHZEYUHQC-UHFFFAOYSA-N
-rxn:4:221975:224153,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,CFCYTQLOKYBUDC-UHFFFAOYSA-N
-rxn:4:221975:224157,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(=O)OC(C)(C)C)c7ccccc67)cc5)no4)C3C2=O)cc1,RWOPUUKYMXTMGV-UHFFFAOYSA-N
-rxn:4:221975:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1C,DNVXDIQMCRGJBM-UHFFFAOYSA-N
-rxn:4:221975:224327,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCC(C)C7)c6)cc5)no4)C3C2=O)cc1,BKYFGWHTQLPXAF-UHFFFAOYSA-N
-rxn:4:221975:224404,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1,CKAAERXBTNEUOV-UHFFFAOYSA-N
-rxn:4:221975:224498,CCN1CCN(Cc2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)CC1,APIPFQWYPQUTPN-UHFFFAOYSA-N
-rxn:4:221975:224617,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,BRSAZBJOTAWWHF-UHFFFAOYSA-N
-rxn:4:221975:224741,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(OC)cc(C7OCCO7)cc6OC)cc5)no4)C3C2=O)cc1,DUKNRBKBZGUXEQ-UHFFFAOYSA-N
-rxn:4:221975:224744,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)c(C(=O)OC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,NBPZQRUUWAUQMA-UHFFFAOYSA-N
-rxn:4:221975:224761,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCCC7)c6)cc5)no4)C3C2=O)cc1,RTSADGAASCUTDC-UHFFFAOYSA-N
-rxn:4:221975:224762,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1,DUZLELVVGJWDSX-UHFFFAOYSA-N
-rxn:4:221975:224781,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCCO7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,WZINUVLRQFAJDM-UHFFFAOYSA-N
-rxn:4:221975:224791,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)C)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,XMXMLXWUHPZICI-UHFFFAOYSA-N
-rxn:4:221975:224801,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1F,CRFOSWUZWHKNKG-UHFFFAOYSA-N
-rxn:4:221975:224803,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC(C)C)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1,ZFRPLWSHQHKKRU-UHFFFAOYSA-N
-rxn:4:221975:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1F,VUUXHOHEZSMMLP-UHFFFAOYSA-N
-rxn:4:221975:224868,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,ZPMYRWONHWCKFX-UHFFFAOYSA-N
-rxn:4:221975:224959,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCCCO7)cc6)cc5)no4)C3C2=O)cc1,QPIZKYMNEZIWJW-UHFFFAOYSA-N
-rxn:4:221975:224960,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(OC7CCCC7)c6)cc5)no4)C3C2=O)cc1,KWOFZGHGAAEURO-UHFFFAOYSA-N
-rxn:4:221975:224962,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COC6CCOCC6)cc5)no4)C3C2=O)cc1,VZOUFEXLAKYWCE-UHFFFAOYSA-N
-rxn:4:221975:224968,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)ccc6OCC6CCCO6)cc5)no4)C3C2=O)cc1,WYDNSQOEZSTGOL-UHFFFAOYSA-N
-rxn:4:221975:224975,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)cc2)CC1,SZTIZWVDOBUERG-UHFFFAOYSA-N
-rxn:4:221975:224991,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,PWFOSDYMZALNCS-UHFFFAOYSA-N
-rxn:4:221975:225004,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6)cc5)no4)C3C2=O)cc1,ALVNMDHDIUDNPB-UHFFFAOYSA-N
-rxn:4:221975:225080,COC(=O)C1CCc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)ccc2O1,MJCDGSHSSHJBIV-UHFFFAOYSA-N
-rxn:4:221975:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,QEZTXEBTGZDLSX-UHFFFAOYSA-N
-rxn:4:221975:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ULNWYGBIAGPEKR-UHFFFAOYSA-N
-rxn:4:221975:225107,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1F,LIGVIYXMMPXRKO-UHFFFAOYSA-N
-rxn:4:221975:225108,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)c1,HUBJQBSLKLJRDT-UHFFFAOYSA-N
-rxn:4:221975:225112,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(Cl)c1OC(C)C,LDEGWDVHQZSDCH-UHFFFAOYSA-N
-rxn:4:221975:225124,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(OCC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,RRSBYJKZWKMYTI-UHFFFAOYSA-N
-rxn:4:221975:225189,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7C(=O)CCC7=O)c6)cc5)no4)C3C2=O)cc1,LAEJBAZSALXINA-UHFFFAOYSA-N
-rxn:4:221975:225198,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cccc6OC6CCCCO6)cc5)no4)C3C2=O)cc1,IDWYSFRRNUXUGD-UHFFFAOYSA-N
-rxn:4:221975:225289,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6OC(C)C)cc5)no4)C3C2=O)cc1,UTEYUCQOKAMBLP-UHFFFAOYSA-N
-rxn:4:221975:225299,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(S(=O)(=O)N(C)C)c(C)c6)cc5)no4)C3C2=O)cc1,AXUDBASRUQFMOV-UHFFFAOYSA-N
-rxn:4:221975:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,KSNUZZMVVPOJLA-UHFFFAOYSA-N
-rxn:4:221975:225445,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6OC6CCCCC6)cc5)no4)C3C2=O)cc1,AOHMRYKZNITPLI-UHFFFAOYSA-N
-rxn:4:221975:225526,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,BCKWSUAVRJFWTE-UHFFFAOYSA-N
-rxn:4:221975:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,WGGVUDTURYOHKQ-UHFFFAOYSA-N
-rxn:4:221975:225539,CCN(CC)Cc1c(F)cccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,WQMMSLGKVFSSHA-UHFFFAOYSA-N
-rxn:4:221975:225551,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)ccc1OC(C)C,QAAYTTPQSFLYHD-UHFFFAOYSA-N
-rxn:4:221975:225603,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C#N)CCC7)c6F)cc5)no4)C3C2=O)cc1,KLOWNUOGEHEULS-UHFFFAOYSA-N
-rxn:4:221975:225621,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOC7)c(C)c6)cc5)no4)C3C2=O)cc1,QWKICFLWJMSJCK-UHFFFAOYSA-N
-rxn:4:221975:225636,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,NSMRKSJTGRETGT-UHFFFAOYSA-N
-rxn:4:221975:225664,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1,PVBWBBSVMPTOPV-UHFFFAOYSA-N
-rxn:4:221975:225684,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOCC7)nc6C)cc5)no4)C3C2=O)cc1,FIDRPYAIVNMHFX-UHFFFAOYSA-N
-rxn:4:221975:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,HHTGESYZKRBKEI-UHFFFAOYSA-N
-rxn:4:221975:225735,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(Cl)c1OCC,CRYYEXYBBGDBPN-UHFFFAOYSA-N
-rxn:4:221975:225742,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(Cl)c1OC,POYFWGQXKYLIEX-UHFFFAOYSA-N
-rxn:4:221975:225763,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(C)cc1OC,DCQBVVSBYZLTGO-UHFFFAOYSA-N
-rxn:4:221975:225767,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(OCC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,JZLRTPUDKUCYLL-UHFFFAOYSA-N
-rxn:4:221975:225784,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,DQXHHMSZIAHKMP-UHFFFAOYSA-N
-rxn:4:221975:225815,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,VIBSXCBMJRVHRB-UHFFFAOYSA-N
-rxn:4:221975:225825,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1,WTVXYUHAEZUESE-UHFFFAOYSA-N
-rxn:4:221975:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,DQLCARJGWWOGJN-UHFFFAOYSA-N
-rxn:4:221975:225923,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCCC7)nc6Cl)cc5)no4)C3C2=O)cc1,KXYHDOOUXKHAID-UHFFFAOYSA-N
-rxn:4:221975:225944,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(F)c(OC(C)C)c6F)cc5)no4)C3C2=O)cc1,ZXCXZEMUWRPCCS-UHFFFAOYSA-N
-rxn:4:221975:225984,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(Cl)c(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,ICHWNPXSKKISSX-UHFFFAOYSA-N
-rxn:4:221975:226424,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC(C)C7)cs6)cc5)no4)C3C2=O)cc1,HNDQTQQRRFPCAC-UHFFFAOYSA-N
-rxn:4:221975:226426,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)s6)cc5)no4)C3C2=O)cc1,UZEWNLPGIWANTB-UHFFFAOYSA-N
-rxn:4:221975:226583,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)s6)cc5)no4)C3C2=O)cc1,ALAFIJFOZKLJQS-UHFFFAOYSA-N
-rxn:4:221975:226661,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCN(C)CC7)cs6)cc5)no4)C3C2=O)cc1,AQZAIIDEFVQGPA-UHFFFAOYSA-N
-rxn:4:221980:225174,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)cc5CN5CCOCC5)c4)sc3n2)CC1,KCRGIJPBGJBSSM-UHFFFAOYSA-N
-rxn:4:221980:225898,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnn(CCN6CCOCC6)c5)c4)sc3n2)CC1,SKURCHDEDHGOQV-UHFFFAOYSA-N
-rxn:4:221980:226262,CCCCOc1cccc(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)c1Cl,CCUQGGHZWHKIJK-UHFFFAOYSA-N
-rxn:4:221981:222935,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)c5)no4)C3C2=O)cc1,ASNOPMDCWAODNK-UHFFFAOYSA-N
-rxn:4:221982:222409,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(N)(=O)=O,TWLZDGRRTQHPTO-UHFFFAOYSA-N
-rxn:4:221982:222491,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(NC(=O)OCc7ccccc7)ccc6F)cc5)no4)C3C2=O)cc1,FRVJOGUYGYBOTO-UHFFFAOYSA-N
-rxn:4:221982:222503,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCc7ccc(F)cc7)c6)cc5)no4)C3C2=O)cc1,JCONEPCKJAGDBO-UHFFFAOYSA-N
-rxn:4:221982:222538,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,MBAVPVKNNWPQIK-UHFFFAOYSA-N
-rxn:4:221982:222589,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,JCPJRLLBDLRGRY-UHFFFAOYSA-N
-rxn:4:221982:222607,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC7CCN(S(C)(=O)=O)CC7)cc6)cc5)no4)C3C2=O)cc1,KFTRAHYLWDLKJL-UHFFFAOYSA-N
-rxn:4:221982:222612,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCC(O)CC7)ccc6F)cc5)no4)C3C2=O)cc1,WYWLNYZGLCSQQO-UHFFFAOYSA-N
-rxn:4:221982:222638,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,LZQDXKNBLWRIPR-UHFFFAOYSA-N
-rxn:4:221982:222678,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,YNYUSNHBIQFTEV-UHFFFAOYSA-N
-rxn:4:221982:222681,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CNC(=O)OC(C)(C)C)c6F)cc5)no4)C3C2=O)cc1,MSVKBDVIBNTAJX-UHFFFAOYSA-N
-rxn:4:221982:222701,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,BPLPOHFTVYMYSM-UHFFFAOYSA-N
-rxn:4:221982:222782,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cnc1NC(=O)OC(C)(C)C,VUWOJWLRLDJYRI-UHFFFAOYSA-N
-rxn:4:221982:222806,CCCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,DALJOFUBRFENPC-UHFFFAOYSA-N
-rxn:4:221982:222824,Cc1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)C,OATNDZWPYOQGPH-UHFFFAOYSA-N
-rxn:4:221982:222846,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6C#N)cc5)no4)C3C2=O)cc1,PBISGGNTUQVAQH-UHFFFAOYSA-N
-rxn:4:221982:222850,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ccc6C#N)cc5)no4)C3C2=O)cc1,SCARBFHYFSYZOH-UHFFFAOYSA-N
-rxn:4:221982:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,MDBBDZKIOZQUQW-UHFFFAOYSA-N
-rxn:4:221982:222857,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)c1,OCPVSPHWJKOZND-UHFFFAOYSA-N
-rxn:4:221982:222891,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,WNKBFLRYCVFZFB-UHFFFAOYSA-N
-rxn:4:221982:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,XTCMCXPGGNCYJV-UHFFFAOYSA-N
-rxn:4:221982:222969,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC7CC7)cc6)cc5)no4)C3C2=O)cc1,QBZDUYFHWXDULG-UHFFFAOYSA-N
-rxn:4:221982:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,MZMXNLAVGLRSLN-UHFFFAOYSA-N
-rxn:4:221982:223006,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,IREDTIPWTVRYAN-UHFFFAOYSA-N
-rxn:4:221982:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,UJUSKZLIKMCEGG-UHFFFAOYSA-N
-rxn:4:221982:223062,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1,NHYOFXHEVPUETD-UHFFFAOYSA-N
-rxn:4:221982:223106,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)C7)nc6Cl)cc5)no4)C3C2=O)cc1,IHUJCWBQOYFOHY-UHFFFAOYSA-N
-rxn:4:221982:223115,CC(=O)NCCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,JNTNBXINSVSFKU-UHFFFAOYSA-N
-rxn:4:221982:223119,C#CCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,WPBVJUXRHPQAQB-UHFFFAOYSA-N
-rxn:4:221982:223128,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC7CC7)c(F)c6)cc5)no4)C3C2=O)cc1,STOIPQANYJTUAK-UHFFFAOYSA-N
-rxn:4:221982:223133,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6N6CCNCC6)cc5)no4)C3C2=O)cc1,UUXLHDQKXDYKCN-UHFFFAOYSA-N
-rxn:4:221982:223138,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,RXTVFQYNUJRILF-UHFFFAOYSA-N
-rxn:4:221982:223157,CCNC(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,ALENDGPKHIBWTR-UHFFFAOYSA-N
-rxn:4:221982:223163,CCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1F,QYLVGNDHSSDTQG-UHFFFAOYSA-N
-rxn:4:221982:223169,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCNCC7)nc6)cc5)no4)C3C2=O)cc1,FBUFXGDHOVAZLU-UHFFFAOYSA-N
-rxn:4:221982:223598,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)cc5)no4)C3C2=O)cc1,JCAOTGZMHLRCMO-UHFFFAOYSA-N
-rxn:4:221982:223659,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1,WQQBLSMZTFWBGY-UHFFFAOYSA-N
-rxn:4:221982:223660,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc5)no4)C3C2=O)cc1,MPZLWWYYLSGKPH-UHFFFAOYSA-N
-rxn:4:221982:223665,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6COc6ccc(OC(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,DZFCWNODKTXABI-UHFFFAOYSA-N
-rxn:4:221982:223666,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COc7ccc(OC(F)(F)F)cc7)c6)cc5)no4)C3C2=O)cc1,AUALHDKBZIDDCH-UHFFFAOYSA-N
-rxn:4:221982:223770,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(C#N)cccc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,RIUVQPHRBZEDQF-UHFFFAOYSA-N
-rxn:4:221982:223840,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FJDRRJMVPNUIQB-UHFFFAOYSA-N
-rxn:4:221982:223884,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,DGXDWYSBRCTBCR-UHFFFAOYSA-N
-rxn:4:221982:223920,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1,BLJGXJNLRBUVTH-UHFFFAOYSA-N
-rxn:4:221982:224015,Cc1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCOCC1,YQXVODORDAHTGV-UHFFFAOYSA-N
-rxn:4:221982:224101,CC1CCN(CCOc2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c2)CC1,PWSTWNISXSESCO-UHFFFAOYSA-N
-rxn:4:221982:224289,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C)C(=O)OC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,OLTUQIKTLDGOAH-UHFFFAOYSA-N
-rxn:4:221982:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,QBFOIOGBZKVHGV-UHFFFAOYSA-N
-rxn:4:221982:224316,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,BFCWHAUCLGNGQA-UHFFFAOYSA-N
-rxn:4:221982:224406,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(S(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,NTHPPBFISANQDQ-UHFFFAOYSA-N
-rxn:4:221982:224590,CC1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,HIHPVZQWIMWPTN-UHFFFAOYSA-N
-rxn:4:221982:224660,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,RCKHOWKWWCVVKV-UHFFFAOYSA-N
-rxn:4:221982:224669,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,ZLHGWPFJOKBEPX-UHFFFAOYSA-N
-rxn:4:221982:224690,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6F)cc5)no4)C3C2=O)cc1,RJZNSHZYCQXKJW-UHFFFAOYSA-N
-rxn:4:221982:224727,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(OC(C)(C)C)n1,XKKXZBHLPSNWOU-UHFFFAOYSA-N
-rxn:4:221982:224743,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(C(=O)OC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,DPBNDDVLNJGYDM-UHFFFAOYSA-N
-rxn:4:221982:224760,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,WQMUSIVCLVNVGO-UHFFFAOYSA-N
-rxn:4:221982:224772,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)cc6Cl)cc5)no4)C3C2=O)cc1,JHWNMGROWHJAIU-UHFFFAOYSA-N
-rxn:4:221982:224780,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCOC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,NVSCJPQGAOXJGF-UHFFFAOYSA-N
-rxn:4:221982:224880,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCCCCC6)cc5)no4)C3C2=O)cc1,GLUZOJFOQRCHOG-UHFFFAOYSA-N
-rxn:4:221982:224958,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCCCO7)c6)cc5)no4)C3C2=O)cc1,SWDLFXQQSXSTGT-UHFFFAOYSA-N
-rxn:4:221982:224963,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,UEGQNEXGEIZZIS-UHFFFAOYSA-N
-rxn:4:221982:224973,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,ZIBCLPODATVUOH-UHFFFAOYSA-N
-rxn:4:221982:224975,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2)CC1,UCCBJADFODTUNL-UHFFFAOYSA-N
-rxn:4:221982:225047,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cnc1N1CCC(C)CC1,UUAWKWDGTVGBTJ-UHFFFAOYSA-N
-rxn:4:221982:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,ROFUVVKFAYVVKK-UHFFFAOYSA-N
-rxn:4:221982:225115,CCOc1c(Cl)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1OC(C)C,HHZXWKAUXMKWJC-UHFFFAOYSA-N
-rxn:4:221982:225294,CCN1CCN(c2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cn2)CC1,MXVWYTQBYIHZTQ-UHFFFAOYSA-N
-rxn:4:221982:225318,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,NHRHGZBUARIRFE-UHFFFAOYSA-N
-rxn:4:221982:225342,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,FSZHBNYKCXCMSD-UHFFFAOYSA-N
-rxn:4:221982:225374,COc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1F,KWAPSIWYONDMBF-UHFFFAOYSA-N
-rxn:4:221982:225569,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1C1CC1,BZMRSYCEQVSKPX-UHFFFAOYSA-N
-rxn:4:221982:225583,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,RUGAEJHWLFQGMK-UHFFFAOYSA-N
-rxn:4:221982:225623,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,GENYYTOPCSQVMZ-UHFFFAOYSA-N
-rxn:4:221982:225679,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1,CJDMZNRSHHSOSU-UHFFFAOYSA-N
-rxn:4:221982:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,UHXSDBOQYCSYIQ-UHFFFAOYSA-N
-rxn:4:221982:225798,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,KOBMJBQBIFHBQU-UHFFFAOYSA-N
-rxn:4:221982:225817,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(C7CC7)c6)cc5)no4)C3C2=O)cc1,HQAVUDFGMBGPEB-UHFFFAOYSA-N
-rxn:4:221982:225849,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1,OZUGUWRQHOXCEO-UHFFFAOYSA-N
-rxn:4:221982:225982,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,LOCMSEDXPVBTEJ-UHFFFAOYSA-N
-rxn:4:221982:225985,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCS7(=O)=O)c6)cc5)no4)C3C2=O)cc1,NLXDNHQZPDAOSG-UHFFFAOYSA-N
-rxn:4:221982:226000,CC(=O)Oc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1[N+](=O)[O-],NFYRFBSDTBLZTK-UHFFFAOYSA-N
-rxn:4:221982:226024,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1,MQYIJTPYUQAEKL-UHFFFAOYSA-N
-rxn:4:221982:226041,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c([N+](=O)[O-])cccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,SUXAAKIRDZGFQP-UHFFFAOYSA-N
-rxn:4:221982:226042,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc([N+](=O)[O-])cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,IJUOJUBSVFOBAU-UHFFFAOYSA-N
-rxn:4:221982:226060,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C7CC7)c6)cc5)no4)C3C2=O)cc1,GYDPGWYUNKBYLJ-UHFFFAOYSA-N
-rxn:4:221982:226129,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1,FKTZIIBJOAAQEA-UHFFFAOYSA-N
-rxn:4:221982:226158,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6N6CCCCC6)cc5)no4)C3C2=O)cc1,UAUOKQTXAPXUNC-UHFFFAOYSA-N
-rxn:4:221982:226234,CCCOc1ccc(C#N)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,IFZMOARTWZUWID-UHFFFAOYSA-N
-rxn:4:221982:226239,CCCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,IEHZTGUYZNDJLD-UHFFFAOYSA-N
-rxn:4:221982:226248,CCOC(=O)Cc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,NBKFHNRHTFCFOU-UHFFFAOYSA-N
-rxn:4:221982:226265,COCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1C,ANNCCLHRYQALQM-UHFFFAOYSA-N
-rxn:4:221982:226280,CC(C)Oc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1C#N,CDDQFZSEDYYNDB-UHFFFAOYSA-N
-rxn:4:221982:226324,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccnc6OC6CCCC6)cc5)no4)C3C2=O)cc1,AHCPHTNURWWOCY-UHFFFAOYSA-N
-rxn:4:221982:226339,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)cc(Cl)c6C6CC6)cc5)no4)C3C2=O)cc1,YXCBTZHPGKYFGN-UHFFFAOYSA-N
-rxn:4:221982:226354,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(Cl)c(C2CC2)c1,FVSYZCXFSQJUSN-UHFFFAOYSA-N
-rxn:4:221982:226411,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,CHDIYAZEGIBLNQ-UHFFFAOYSA-N
-rxn:4:221982:226412,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,DCDNQOWAZCOQPE-UHFFFAOYSA-N
-rxn:4:221982:226415,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6N6CCOCC6)cc5)no4)C3C2=O)cc1,ZGUGWAMQTHUNKE-UHFFFAOYSA-N
-rxn:4:221982:226475,CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(OCC)n1,AHCYRQDELCPSFN-UHFFFAOYSA-N
-rxn:4:221982:226485,COCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1Cl,OHCWOTDRTAFIMG-UHFFFAOYSA-N
-rxn:4:221982:226498,CCN(CC)c1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1Cl,NPWIFENNODXWGZ-UHFFFAOYSA-N
-rxn:4:221982:226501,CCOC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cnc1C,VXNQWKAGTOQEPC-UHFFFAOYSA-N
-rxn:4:221982:226519,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(OC)c1OC,VPHJFWKVKRBKRI-UHFFFAOYSA-N
-rxn:4:221982:226565,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)cc1OC,ITXPVKUPAXBAHK-UHFFFAOYSA-N
-rxn:4:221982:226576,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,MNODMBFKETWLBY-UHFFFAOYSA-N
-rxn:4:221982:226685,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,OLSNHNDQMZGHEB-UHFFFAOYSA-N
-rxn:4:221982:226732,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C#N)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,DJNQFUXTKYCXKB-UHFFFAOYSA-N
-rxn:4:221982:226740,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(F)(F)F)c6C#N)cc5)no4)C3C2=O)cc1,YPIGSYVYEIDKJL-UHFFFAOYSA-N
-rxn:4:221982:226752,COc1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cccc1C(F)(F)F,HSVVKRPXIXXECH-UHFFFAOYSA-N
-rxn:4:221982:226860,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1,FLDUQTNETULNSP-UHFFFAOYSA-N
-rxn:4:221982:226862,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC(F)(F)F)c6F)cc5)no4)C3C2=O)cc1,VQJGCZOIFILBFD-UHFFFAOYSA-N
-rxn:4:221982:226895,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(C(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1,MLUKCQCXXGDVLC-UHFFFAOYSA-N
-rxn:4:221982:227404,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7)cs6)cc5)no4)C3C2=O)cc1,MNTMAZXFGVVWLA-UHFFFAOYSA-N
-rxn:4:221982:227681,COC(Cn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cn1)OC,VTOHWXZBQMUGIA-UHFFFAOYSA-N
-rxn:4:222037:222612,O=S(=O)(c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)cc2)c1)N1CCC(O)CC1,FMHULMZTZTUCIA-UHFFFAOYSA-N
-rxn:4:222062:228261,CSc1ccc(F)c(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,JVQANJSOMMJXPD-UHFFFAOYSA-N
-rxn:4:222062:228606,CCc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,QCBXZAZTKMIPFL-UHFFFAOYSA-N
-rxn:4:222062:228614,CCc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,OMDQZYSKDVFMEB-UHFFFAOYSA-N
-rxn:4:222062:228615,CSc1ccc(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,TZXLGDNPKVSFDM-UHFFFAOYSA-N
-rxn:4:222062:228616,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)c1,GDLCLLKZMNNWKM-UHFFFAOYSA-N
-rxn:4:222062:228621,CSc1cc(C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,MCWLNDSWMXLGSQ-UHFFFAOYSA-N
-rxn:4:222062:228625,CCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,VHRPGKCTKPRNGN-UHFFFAOYSA-N
-rxn:4:222062:228630,CCc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,XHDNSUPEPYYECQ-UHFFFAOYSA-N
-rxn:4:222062:228763,CCc1c(F)cncc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,GPDXCQNOYGWUJE-UHFFFAOYSA-N
-rxn:4:222062:228800,CSc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,YJDVOJODAHMMHC-UHFFFAOYSA-N
-rxn:4:222062:228811,CSc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ZPZMJZWSYAJSEA-UHFFFAOYSA-N
-rxn:4:222062:228821,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(F)c4F)cc3)CC2)n1,ZBWKIRNZDMABRI-UHFFFAOYSA-N
-rxn:4:222062:228823,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C)cc4F)cc3)CC2)n1,PKODFPMRTOTURY-UHFFFAOYSA-N
-rxn:4:222062:228825,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(C)cc4F)cc3)CC2)n1,MZVKXZFLMWESGZ-UHFFFAOYSA-N
-rxn:4:222062:228827,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4C)cc3)CC2)n1,QGQNSYCVAYXOSB-UHFFFAOYSA-N
-rxn:4:222062:228828,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C)c4F)cc3)CC2)n1,MRWNZBXTUMUDRD-UHFFFAOYSA-N
-rxn:4:222062:228830,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C)c4F)cc3)CC2)n1,CRVLGKROBXGQTP-UHFFFAOYSA-N
-rxn:4:222062:228831,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C)c4Cl)cc3)CC2)n1,VFYURZASRWKXFT-UHFFFAOYSA-N
-rxn:4:222062:228834,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(C)cc4Cl)cc3)CC2)n1,TWSCZNJFULZPMH-UHFFFAOYSA-N
-rxn:4:222062:228837,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(Cl)c4F)cc3)CC2)n1,KGPLBSCCDAKOPZ-UHFFFAOYSA-N
-rxn:4:222062:228840,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ccc(F)c4C)cc3)CC2)n1,YZLLEBUZKSRJRG-UHFFFAOYSA-N
-rxn:4:222062:228841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(Cl)cc4C)cc3)CC2)n1,GJWBGNSZBPEFRI-UHFFFAOYSA-N
-rxn:4:222062:228844,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(F)c4C)cc3)CC2)n1,TTXJGTLIUNYLBP-UHFFFAOYSA-N
-rxn:4:222062:228925,CSc1cnc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,APBXOAWNQSBJTP-UHFFFAOYSA-N
-rxn:4:222089:222440,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)NCc6ccco6)cc5C(F)(F)F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HQOGKWYKISZHSL-UHFFFAOYSA-N
-rxn:4:222089:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,ZKOVRQOMXANLFR-UHFFFAOYSA-N
-rxn:4:222089:222598,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,CVZOPCKHDZZMTF-UHFFFAOYSA-N
-rxn:4:222089:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,MBCTWKXVTRYUQP-UHFFFAOYSA-N
-rxn:4:222089:222694,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,UJQZRIHHQKRVSU-UHFFFAOYSA-N
-rxn:4:222089:222699,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ODLLKJXWPJZGSX-UHFFFAOYSA-N
-rxn:4:222089:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,BALIRTCUJFQCHP-UHFFFAOYSA-N
-rxn:4:222089:222725,CCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,OJOXZIYORQIUSD-UHFFFAOYSA-N
-rxn:4:222089:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,DOQKVJGHKAZSDN-UHFFFAOYSA-N
-rxn:4:222089:222788,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1,IWOZZLKHFGQJLZ-UHFFFAOYSA-N
-rxn:4:222089:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)cn1,GDHLLNVDVSCDEH-UHFFFAOYSA-N
-rxn:4:222089:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cnc1Cl,KHWSTSZPAYJDGG-UHFFFAOYSA-N
-rxn:4:222089:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,FZPZGFWBUQBQGK-UHFFFAOYSA-N
-rxn:4:222089:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F,ILSLSIVYGJSIJJ-UHFFFAOYSA-N
-rxn:4:222089:222848,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,GXQUBPZUEXZQBL-UHFFFAOYSA-N
-rxn:4:222089:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1,OQDRNMIYCZWNNX-UHFFFAOYSA-N
-rxn:4:222089:222925,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CNC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LHSJATUAYZOEMN-UHFFFAOYSA-N
-rxn:4:222089:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,HHRRAFZZLMZWAL-UHFFFAOYSA-N
-rxn:4:222089:223520,CC(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FAZOCSRTKCSOMS-UHFFFAOYSA-N
-rxn:4:222089:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,JMFQSLRPEAIPCV-UHFFFAOYSA-N
-rxn:4:222089:223601,COc1ccc(COc2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2C(F)(F)F)cc1,OGEJDCZIYQDKKD-UHFFFAOYSA-N
-rxn:4:222089:223696,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FUXMRMBETKJOHM-UHFFFAOYSA-N
-rxn:4:222089:223959,CCN1CCN(C(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc2Cl)CC1,NKFSUYILEQFDLU-UHFFFAOYSA-N
-rxn:4:222089:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,IFTUPMKVUHXJQN-UHFFFAOYSA-N
-rxn:4:222089:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)CC1,HZIRJEVODIAHCC-UHFFFAOYSA-N
-rxn:4:222089:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,PELKYRBBVDTHOE-UHFFFAOYSA-N
-rxn:4:222089:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,KCJDICGZMDIJHK-NKJHOAKCSA-N
-rxn:4:222089:224127,CCN1CCN(C(C)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,SYNMEXBXCQERDL-UHFFFAOYSA-N
-rxn:4:222089:224170,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCCC6)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YDZWTVSGAXEWSA-UHFFFAOYSA-N
-rxn:4:222089:224171,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,RVVNYGMEODEVTQ-UHFFFAOYSA-N
-rxn:4:222089:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,YSIZLIHPDJIFKJ-UHFFFAOYSA-N
-rxn:4:222089:224283,CC(C)(C)Oc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(OC(C)(C)C)n1,JUEDQWJHIKIYHO-UHFFFAOYSA-N
-rxn:4:222089:224351,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CCCCO6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PYLMARAOADSTBS-UHFFFAOYSA-N
-rxn:4:222089:224409,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(OCC(F)(F)F)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,UFLJBLOZECPJCY-UHFFFAOYSA-N
-rxn:4:222089:224426,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ONSWEVIDXCJNKA-UHFFFAOYSA-N
-rxn:4:222089:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,AWVLWRVXEGPWLA-UHFFFAOYSA-N
-rxn:4:222089:224688,O=C1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,OWJUHEYDMIZSEI-UHFFFAOYSA-N
-rxn:4:222089:224691,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CC2(COC2)C1,VNUZUPJTYDOURO-UHFFFAOYSA-N
-rxn:4:222089:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1C,OKRYOIFMTGQQDK-UHFFFAOYSA-N
-rxn:4:222089:224766,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(N6CCCC6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,XCOKCRMCMIBQNF-UHFFFAOYSA-N
-rxn:4:222089:224819,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,UPWLXFMNLXASFQ-UHFFFAOYSA-N
-rxn:4:222089:224845,CC(C)(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C(C)(C)C)c1,CKRQUMMHMCTJNB-UHFFFAOYSA-N
-rxn:4:222089:224958,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCC6CCCCO6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ONGBSZGOZBWPCS-UHFFFAOYSA-N
-rxn:4:222089:225107,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F,NXAAINGINIOLNZ-UHFFFAOYSA-N
-rxn:4:222089:225118,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OC(C)C,ZTUPEKGTPZRHNM-UHFFFAOYSA-N
-rxn:4:222089:225155,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCOCC1,SZHVZFFTKJTIPY-UHFFFAOYSA-N
-rxn:4:222089:225156,O=C(c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCCC1,BZXSCLLLTSVRME-UHFFFAOYSA-N
-rxn:4:222089:225193,N#Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1C1COCCO1,GRDYDMODSWYBMW-UHFFFAOYSA-N
-rxn:4:222089:225212,CN1CCN(c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,QGNHKFDQHNCKRS-UHFFFAOYSA-N
-rxn:4:222089:225223,CC1CCN(c2cc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cn2)CC1,LISIRZZLKNGUTJ-UHFFFAOYSA-N
-rxn:4:222089:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,BVHICNZAPLDZTF-UHFFFAOYSA-N
-rxn:4:222089:225319,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)c(F)c(N6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,OECGBABZFASRMY-UHFFFAOYSA-N
-rxn:4:222089:225320,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCOCC6)c(F)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GBSRCOQSTSZCEQ-UHFFFAOYSA-N
-rxn:4:222089:225325,CCOC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,AZPNLQKMNXSBJV-UHFFFAOYSA-N
-rxn:4:222089:225337,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)cc(COCC(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,XJQBVKORWHSPDD-UHFFFAOYSA-N
-rxn:4:222089:225371,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cnc1C(F)(F)F,NGLGTNZKRQQEAZ-UHFFFAOYSA-N
-rxn:4:222089:225381,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C(F)(F)F)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KPRILWGIEYBTEO-UHFFFAOYSA-N
-rxn:4:222089:225383,O=C1C2N=NN(Cc3nc(-c4ccc(-c5c(C(F)(F)F)cccc5C(F)(F)F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HEYZXFFGLRUHIV-UHFFFAOYSA-N
-rxn:4:222089:225889,C[Si](C)(C)CCOCn1nccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,PDFKSWGUFXMZMQ-UHFFFAOYSA-N
-rxn:4:222107:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)c5)no4)C3C2=O)cc1F,VLIKDFMYUMXGLU-UHFFFAOYSA-N
-rxn:4:222108:223032,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,MVKMXJLKCHPFEW-UHFFFAOYSA-N
-rxn:4:222108:225560,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOC7)c6)cc5)no4)C3C2=O)cc1F,FXFNFDCWAGDISX-UHFFFAOYSA-N
-rxn:4:222123:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)cc1,PKPHXIDPDQAQFO-UHFFFAOYSA-N
-rxn:4:222124:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)cc1,VVIJSPWLVRSKNL-UHFFFAOYSA-N
-rxn:4:222137:222437,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1,IUYLDOAIRNCPSI-UHFFFAOYSA-N
-rxn:4:222138:226515,CCc1ncc(C(=O)OC)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,MMIRTQCUJOMKCP-UHFFFAOYSA-N
-rxn:4:222195:224686,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3F)c2)CC1,BWSKWEGXMHAMPW-UHFFFAOYSA-N
-rxn:4:222332:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c1,JQBZWOMWECFHOT-UHFFFAOYSA-N
-rxn:4:222332:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1,WOMSHAOGUZSZPC-UHFFFAOYSA-N
-rxn:4:222335:222742,Cc1cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)nc(N2CCCC2)n1,BYUKJPOSLKZKPO-UHFFFAOYSA-N
-rxn:4:222351:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)c2)CC1,NBHSPPGAXGAYLY-UHFFFAOYSA-N
-rxn:4:222380:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2)CC1,QCMQZMJIMXVOCK-UHFFFAOYSA-N
-rxn:4:222387:223573,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)cc6)cn5)CCO4)c3n2)cn1,RSSQPMLIQJTYGY-UHFFFAOYSA-N
-rxn:4:222387:223598,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)cn5)CCO4)c3n2)cn1,UMZZUKJDUMATET-UHFFFAOYSA-N
-rxn:4:222389:214074,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,LFIXPLQGKLLBBT-UHFFFAOYSA-N
-rxn:4:222432:213969,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,AMXXHDFENQQPFJ-UHFFFAOYSA-N
-rxn:4:222540:188681,NS(=O)(=O)c1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1OC(F)(F)F,IORPZVXBXPXASN-UHFFFAOYSA-N
-rxn:4:222541:188681,NS(=O)(=O)c1cc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)ccc1OC(F)(F)F,MOGHEIXERJJTOW-UHFFFAOYSA-N
-rxn:4:222581:183958,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc12,VPLRCTYYDQIAHA-UHFFFAOYSA-N
-rxn:4:222630:187283,COCC1CCN(Cc2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,BAHLUUVVRSOTQN-UHFFFAOYSA-N
-rxn:4:222630:207731,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,MPDPAQTVBGSZFQ-UHFFFAOYSA-N
-rxn:4:222680:194669,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc2c(c1)CN(C(=O)C(C)(C)C)[C@@H]2C,DZRUYIRXGWNNMW-MRXNPFEDSA-N
-rxn:4:222723:187971,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc21,BHHQCUNTRYKYAT-UHFFFAOYSA-N
-rxn:4:222723:218887,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,SWFDXIATYBUPAZ-UHFFFAOYSA-N
-rxn:4:222742:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)cc1,OXWPSPRTBPIRJX-UHFFFAOYSA-N
-rxn:4:222941:187414,CONS(=O)(=O)c1c(C)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1C,KDJUNUUPQZWWPV-UHFFFAOYSA-N
-rxn:4:222960:214855,Cc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc(C2CCNCC2)c1,DKDAXZXSVPUMIQ-UHFFFAOYSA-N
-rxn:4:222971:214046,C[C@@H]1CN(c2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,ZXIAQVQINNPNCU-RBUKOAKNSA-N
-rxn:4:222981:218867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(NC4CCCCC4)c3)c2)no1,ZBTXUUIZDKHVMJ-UHFFFAOYSA-N
-rxn:4:223002:187490,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CCNCC2)cc1F,GHPBINFJXROREE-UHFFFAOYSA-N
-rxn:4:223093:183965,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,IANMFYRNFNRLCU-UHFFFAOYSA-N
-rxn:4:223541:179363,CS(=O)(=O)Cc1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,JYKAKXIFDMEVSX-UHFFFAOYSA-N
-rxn:4:223570:178597,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)ncc21,MGEITFHQJKCACF-UHFFFAOYSA-N
-rxn:4:223582:177977,COC(=O)c1ccc2cc(-c3ccc(C4(C)OC4(C)C(=O)OC)cc3)n(C(=O)OC(C)(C)C)c2c1,CJTSLIIVFLGICX-UHFFFAOYSA-N
-rxn:4:223650:188681,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)CC1,XRDUTAXODZGBOY-UHFFFAOYSA-N
-rxn:4:223650:214254,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cnc21,MZXYPCQVBKMLJS-UHFFFAOYSA-N
-rxn:4:223670:188681,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)CC1,BSTINMSEONKINH-UHFFFAOYSA-N
-rxn:4:223671:197169,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc4c3OCC(C#N)=C4)ccn2)CC1,XOSXYSJUWBALFY-UHFFFAOYSA-N
-rxn:5:177185:223062:225632,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cccc(N2CCN(C)CC2)c1,ZPKBEIPOHFVHJO-UHFFFAOYSA-N
-rxn:5:177186:226662:223062,CCOC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,WXSCTLHHSILVJY-UHFFFAOYSA-N
-rxn:5:177190:222989:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCNCC3)cc2C)c1,IDIKXNNPWSFZQG-UHFFFAOYSA-N
-rxn:5:177190:222990:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)cc2)c1,USJVNSKGESCCLX-UHFFFAOYSA-N
-rxn:5:177190:223054:223147,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CNCCO3)cc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,HKRNUYBSXIXBDV-UHFFFAOYSA-N
-rxn:5:177190:223054:226590,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCOC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,KEIGWLZHWOHVOM-UHFFFAOYSA-N
-rxn:5:177190:223135:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccnc2C2CCCNC2)c1,RIKDVOARBFRHGY-UHFFFAOYSA-N
-rxn:5:177190:223138:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCNCC3)c2)c1,GZOMTZJZHJXSTC-UHFFFAOYSA-N
-rxn:5:177190:225407:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2ccc(C3CCCCCC3)cc2)c1,YVVNFQMSVSXEPP-UHFFFAOYSA-N
-rxn:5:177190:225462:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccc(N3CCC(C)CC3)c2)c1,HZZDGEUTCUYCJX-UHFFFAOYSA-N
-rxn:5:177190:225470:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCC(C)CC3)cc2)c1,KHSCVSFGFZHYQU-UHFFFAOYSA-N
-rxn:5:177190:225576:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,XNPGKEWBHBDHIV-UHFFFAOYSA-N
-rxn:5:177190:225636:225577,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)cc2C#N)c(-c2ccnc(N3CCC(C)CC3)c2)c1,MJAULRUVEMFCMI-UHFFFAOYSA-N
-rxn:5:177190:225638:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,DFBNCBDVFBTFAC-UHFFFAOYSA-N
-rxn:5:177190:225805:226411,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,RAPRPSIJMYLXIS-UHFFFAOYSA-N
-rxn:5:177730:223133:225438,CC(c1ccc(-c2ccc(-c3ccccc3N3CCNCC3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,BKVLXZFYWMOKLB-UHFFFAOYSA-N
-rxn:5:177730:225805:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)c2)s1)N1CCOCC1,IVYJIAXKHIWXTP-UHFFFAOYSA-N
-rxn:5:177730:226645:225438,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,ICYOVJXMVGGNHW-UHFFFAOYSA-N
-rxn:5:177731:225976:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1F,KXCFQPAVRAWIQM-UHFFFAOYSA-N
-rxn:5:177732:223054:223142,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCCNC3)nc2)s1)N1CCC(O)C1,NMYLMZKSBZDZNW-UHFFFAOYSA-N
-rxn:5:177732:225832:225976,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)OC(C)(C)C)cc1-c1ccnc(N2CCOCC2)c1F,JKRAJYCZUAYVJJ-UHFFFAOYSA-N
-rxn:5:177734:225976:226794,Cc1cc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(N3CCSCC3)nc2)cc1C(=O)OC(C)C,JZOOSAULHRPWHE-UHFFFAOYSA-N
-rxn:5:177734:226662:227684,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cnn(CC3OCCO3)c2)cc1C(=O)OC(C)C,VXXDTHJXHGEGGT-UHFFFAOYSA-N
-rxn:5:177736:225439:226679,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCCC3)cc2F)c1)N1CCCC1,TWZWLGXQPMJJBK-UHFFFAOYSA-N
-rxn:5:177736:226330:226649,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)s1)N1CCCC1,NCZFZAKBDLKARL-UHFFFAOYSA-N
-rxn:5:177737:223062:225438,CC(c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,WZNREXSWOMWYPE-UHFFFAOYSA-N
-rxn:5:177737:226048:223008,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1-c1c(F)ccc(F)c1OC(F)(F)F,OMBFGUITGQBFDJ-UHFFFAOYSA-N
-rxn:5:177739:226649:223054,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cccnc2N2CCOCC2)s1)N1CCC(O)C1,KAJQBJHYHDLXPY-UHFFFAOYSA-N
-rxn:5:177850:225986:223146,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cccc(C2CNCCO2)c1,UREFEMMOPUXMBJ-UHFFFAOYSA-N
-rxn:5:177850:225986:223200,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCNC2)cc1,LPSCFPZJKPOBES-UHFFFAOYSA-N
-rxn:5:177850:226733:223138,CCOc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C2OCCO2)c1-c1ccnc(C2CCNCC2)c1,OUPHQDSPWIECJT-UHFFFAOYSA-N
-rxn:5:177891:223146:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1cccc(C2CNCCO2)c1,JPGCEVGQKUOLQB-UHFFFAOYSA-N
-rxn:5:177891:223147:227387,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCCC2)c1)c1ccccc1-c1ccc(C2CNCCO2)cc1,YWBDTRLFQTYAFL-UHFFFAOYSA-N
-rxn:5:177891:225799:229009,O=C(SC1CS(=O)(=O)CC1c1cc(C2CC2)cs1)c1ccccc1-c1cncc(OC2CCOCC2)c1,XLTOSKVWQUUTQI-UHFFFAOYSA-N
-rxn:5:177891:225831:227656,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(N3CCOCC3)cs2)cnc1N1CCOCC1,SRGMNVRMZQEEAP-UHFFFAOYSA-N
-rxn:5:177891:226447:228974,CS(=O)(=O)n1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOCC3)c2)cn1,CGQOAXFMLJJSNW-UHFFFAOYSA-N
-rxn:5:177891:226645:226447,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1)c1ccccc1-c1ccnc(N2CCOCC2)c1,UNZIRMIGQJRSLA-UHFFFAOYSA-N
-rxn:5:177891:227438:226197,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCCOC2)cc1)c1ccccc1-c1ccnc(C2CCOC2)c1,JIKPSTFENRFNJJ-UHFFFAOYSA-N
-rxn:5:177891:227438:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccnc(C2CCOC2)c1,IDBZKFPVKMKUNJ-UHFFFAOYSA-N
-rxn:5:177891:227438:227446,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)cc1)c1ccccc1-c1ccnc(C2CCOC2)c1,OPHPOWRTZQODJZ-UHFFFAOYSA-N
-rxn:5:177891:227449:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,BSQYEAMYVSMDGM-UHFFFAOYSA-N
-rxn:5:177891:227613:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1cnn(C2CCOCC2)c1,AQJNDKSGTDXKNY-UHFFFAOYSA-N
-rxn:5:177891:228016:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1cc(C2CCCC2)cs1,NBKFDULARCRYEW-UHFFFAOYSA-N
-rxn:5:177891:228695:226649,CN(C)Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2N2CCOCC2)cs1,JAGYVXTYESJHLA-UHFFFAOYSA-N
-rxn:5:177970:223002:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3ccc(C4CCNCC4)cc3F)c2)c([N+](=O)[O-])s1,WANGXJWQUKNTRR-UHFFFAOYSA-N
-rxn:5:178118:222987:227506,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1OCC1CCCCO1,DYAQDGMWTQZPNW-SAPNQHFASA-N
-rxn:5:178118:223006:227804,O=[N+]([O-])c1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,BUYOIMCOWGXAHW-UHFFFAOYSA-N
-rxn:5:178122:227507:222988,Cc1cc(-c2cc(-c3cccc(C=C[N+](=O)[O-])c3)ccc2COC2CCCCO2)cc(C2CCNCC2)n1,RKOGMLZLZKVVPY-UHFFFAOYSA-N
-rxn:5:178224:222957:227506,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2)cc(C2CCCNC2)c1,YUZZSXZTOMDRFV-WYMLVPIESA-N
-rxn:5:178224:228140:225590,CC(c1ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(CN4CCCC4)c(F)c3)c2)s1)N(C)C,CZQJWCKYGNMJFO-UHFFFAOYSA-N
-rxn:5:178225:227432:225934,Cc1nc(C2COC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1cnc(C(F)(F)F)c(C2CC2)c1,JGXVWWGZBBESDM-UHFFFAOYSA-N
-rxn:5:178295:223007:228750,COC(=O)C1(c2cc(-c3cncc(C(C)=O)c3)ccc2-c2cc(F)cc(C3CCNCC3)c2)CCC(=O)CC1,QEZGUGVWIPSNTG-UHFFFAOYSA-N
-rxn:5:178295:223189:228507,CCCc1cccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YCPKQHQFGTULRH-UHFFFAOYSA-N
-rxn:5:178295:223190:228344,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2ccc(SC(F)F)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,AFSOCROERGZINM-UHFFFAOYSA-N
-rxn:5:178295:223229:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,GZXAGRQVYMNFIJ-UHFFFAOYSA-N
-rxn:5:178295:223231:227898,CNC(=O)c1ccc(-c2ccc(-c3cncc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,RXZNLJVNBFYUAM-UHFFFAOYSA-N
-rxn:5:178295:223264:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(F)c(C(=O)NC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,JEEUZPQPRUUZEK-UHFFFAOYSA-N
-rxn:5:178295:223271:228180,COCc1cc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,GTYCWFGYZRPBIW-UHFFFAOYSA-N
-rxn:5:178295:223284:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,CKSYDGDVWPGFLD-UHFFFAOYSA-N
-rxn:5:178295:225395:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HNEYXLWBKMAZRT-UHFFFAOYSA-N
-rxn:5:178295:225439:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IKIZFEPMVSUPOA-UHFFFAOYSA-N
-rxn:5:178295:226058:223270,COC(=O)C1(c2cc(-c3ccc(F)cc3NC(C)=O)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,VFWHFFZLJVRANL-UHFFFAOYSA-N
-rxn:5:178295:226058:228106,CCC(C)c1ncc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,SQNQDAWNNIAGRG-UHFFFAOYSA-N
-rxn:5:178295:226058:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ZHBQCWXAZWBIDN-UHFFFAOYSA-N
-rxn:5:178295:226059:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,GBTLFGWOMTWJIU-UHFFFAOYSA-N
-rxn:5:178295:226062:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,TXPREOQVSZQCLU-UHFFFAOYSA-N
-rxn:5:178295:226062:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PBUUDWKYTWPYIZ-UHFFFAOYSA-N
-rxn:5:178295:226067:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,KAEBYYAPWRLPLX-UHFFFAOYSA-N
-rxn:5:178295:226068:227827,COC(=O)C1(c2cc(-c3cc(C4CC4)ccc3C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,MTSASMZDWCTLGS-UHFFFAOYSA-N
-rxn:5:178295:226068:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,JPPOEMJPFVSBBT-UHFFFAOYSA-N
-rxn:5:178295:226069:229054,COCc1cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cs1,WUUZAGBDYZHWMK-UHFFFAOYSA-N
-rxn:5:178295:226085:227914,COC(=O)C1(c2cc(-c3ccccc3OC(C)C)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,IVBPRRRCBULRRV-UHFFFAOYSA-N
-rxn:5:178295:226140:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BSSGFWIRKJAOLD-UHFFFAOYSA-N
-rxn:5:178295:226147:228507,CCCc1cccc(-c2ccc(-c3c(C)cc(OC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LIUVUSONYZNGGJ-UHFFFAOYSA-N
-rxn:5:178295:226149:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(OC)c(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IVFWJHVQWIWOHG-UHFFFAOYSA-N
-rxn:5:178295:226154:228507,CCCc1cccc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WWXHMILRRONBOC-UHFFFAOYSA-N
-rxn:5:178295:226190:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,ZAJBCNQFPYTDNQ-UHFFFAOYSA-N
-rxn:5:178295:226199:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc3c(cnn3C(C)C)c2)CCC(=O)CC1,XIIPOSNRJVZUNB-UHFFFAOYSA-N
-rxn:5:178295:226204:225440,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2-c2cc3ccccc3nc2OC)CCC(=O)CC1,FCEJOTWXWTUTDS-UHFFFAOYSA-N
-rxn:5:178295:226322:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,WVTGCJGFZOVAIS-UHFFFAOYSA-N
-rxn:5:178295:226576:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GFEJGOJDRXYVID-UHFFFAOYSA-N
-rxn:5:178295:226576:228630,CCc1cc(F)cc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NTNAQUSHRYNKBN-UHFFFAOYSA-N
-rxn:5:178295:226579:227907,CCC(C)c1cncc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DSWWUHNCWUOBGS-UHFFFAOYSA-N
-rxn:5:178295:226581:228630,CCc1cc(F)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZYTHHHJYRRDNQO-UHFFFAOYSA-N
-rxn:5:178295:226589:228577,CC#Cc1cncc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QJLSWQGFLWTGNE-UHFFFAOYSA-N
-rxn:5:178295:226910:226603,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,PLWJRSXBWSCBQH-UHFFFAOYSA-N
-rxn:5:178295:226911:226959,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,AGVSXBOSSOZQOJ-UHFFFAOYSA-N
-rxn:5:178295:226911:226973,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)cc1C1(C(=O)OC)CCC(=O)CC1,RTBNFJKHMUEAFU-UHFFFAOYSA-N
-rxn:5:178295:226911:228257,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(F)cc(C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,YZSNCENFTWTHTR-UHFFFAOYSA-N
-rxn:5:178295:226914:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ROSQZXOFPPDSEL-UHFFFAOYSA-N
-rxn:5:178295:226914:228142,CCCc1cc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,CDPUSDVCMRJBAQ-UHFFFAOYSA-N
-rxn:5:178295:226914:228220,COC(=O)C1(c2cc(-c3cc(C(C)C)ncc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,BVDFOAMGLVVUSR-UHFFFAOYSA-N
-rxn:5:178295:226916:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,SGAPFLYBBWCHRE-UHFFFAOYSA-N
-rxn:5:178295:226917:227943,COC(=O)C1(c2cc(-c3cc(C)ccc3N(C)C)ccc2-c2cc(C)cc(C(C)(C)C)c2)CCC(=O)CC1,OAEFQZBYLGOVPD-UHFFFAOYSA-N
-rxn:5:178295:226926:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,MVUWMSFTWKKMBB-UHFFFAOYSA-N
-rxn:5:178295:226968:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,HFCKGAYRIPFBBX-UHFFFAOYSA-N
-rxn:5:178295:226968:227867,COC(=O)C1(c2cc(-c3cccc4c3OCCC4)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,UTMZIDMBALMTOD-UHFFFAOYSA-N
-rxn:5:178295:226971:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,GPJZKSWUNSOBSL-UHFFFAOYSA-N
-rxn:5:178295:226973:228179,COCc1cc(F)cc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LJMAWKWPVFAWMZ-UHFFFAOYSA-N
-rxn:5:178295:226974:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,NAEBBVSKSVXKMO-UHFFFAOYSA-N
-rxn:5:178295:227038:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,SJBANOLOHGMHEE-UHFFFAOYSA-N
-rxn:5:178295:227043:227908,COC(=O)C1(c2cc(-c3cccnc3CC(C)C)ccc2-c2ccc(OC(C)C)cc2C)CCC(=O)CC1,YXTVTAXVCNUVHG-UHFFFAOYSA-N
-rxn:5:178295:227048:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,QWXZCBNJDWVLOC-UHFFFAOYSA-N
-rxn:5:178295:227051:227312,CCC(=O)c1ccc(-c2ccc(-c3ccc(C(C)CC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,AEVHOPYXRNUILA-UHFFFAOYSA-N
-rxn:5:178295:227061:227831,CCc1c(C)cc(-c2ccc(-c3cc(OC(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,PXJZDDQTFQYHHV-UHFFFAOYSA-N
-rxn:5:178295:227063:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccc(C)cc2OC(C)C)CCC(=O)CC1,XOYDIHOOJCOPQA-UHFFFAOYSA-N
-rxn:5:178295:227063:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZDQFPECEPMYDOM-UHFFFAOYSA-N
-rxn:5:178295:227065:223067,COC(=O)C1(c2cc(-c3ccc4nc(NC(C)=O)sc4c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,DQYAQWGALAWLEO-UHFFFAOYSA-N
-rxn:5:178295:227065:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,RIICLKKJCSGNOD-UHFFFAOYSA-N
-rxn:5:178295:227069:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,JOZSACAWUHBTJP-UHFFFAOYSA-N
-rxn:5:178295:227073:228179,COCc1cc(F)cc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YXXBKMPUKXNXFO-UHFFFAOYSA-N
-rxn:5:178295:227075:228178,COCc1ccc(F)c(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZZXLMRQEHKFOHD-UHFFFAOYSA-N
-rxn:5:178295:227076:227289,CCC(C)c1ccc(F)c(-c2ccc(-c3cccnc3OC(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JXUKZELNSCMGQI-UHFFFAOYSA-N
-rxn:5:178295:227077:226968,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)OC(C)(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,RARYMCCKJMSBBE-UHFFFAOYSA-N
-rxn:5:178295:227077:228610,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)s3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,JCYXAZPTLNJUJH-UHFFFAOYSA-N
-rxn:5:178295:227107:227941,COCc1cc(C)cc(-c2ccc(-c3cc(C)cc(C4CC4)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MWZOWTZCJKLPIM-UHFFFAOYSA-N
-rxn:5:178295:227205:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2cccc3c2OCCCO3)CCC(=O)CC1,IGXIPMFFDPLJOW-UHFFFAOYSA-N
-rxn:5:178295:227286:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,XPLDVMSUAXDOIZ-UHFFFAOYSA-N
-rxn:5:178295:227307:227812,COC(=O)C1(c2cc(-c3cccc(CC(C)C)c3)ccc2-c2ccc(C)nc2OC(C)C)CCC(=O)CC1,NVINFNDWDPSURB-UHFFFAOYSA-N
-rxn:5:178295:227309:226064,CCC(C)c1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,MYBVQDQKFUQOKG-UHFFFAOYSA-N
-rxn:5:178295:227309:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(F)nc(C(C)CC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,IMJIZBQDFOAZDS-UHFFFAOYSA-N
-rxn:5:178295:227309:227840,CCC(C)c1cc(-c2ccc(-c3cccc(C)c3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,QECAQCRORXSUEZ-UHFFFAOYSA-N
-rxn:5:178295:227312:227814,CCC(C)c1ccc(-c2ccc(-c3ccc(CC4CC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,KTVBRLNJELQNEE-UHFFFAOYSA-N
-rxn:5:178295:227313:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C(C)CC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NGZZHNZZRWDZAL-UHFFFAOYSA-N
-rxn:5:178295:227313:228149,CCC(C)c1cc(-c2ccc(-c3ccccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,NCEUYAIAUDUTBX-UHFFFAOYSA-N
-rxn:5:178295:227315:227818,CCC(C)c1cccc(-c2ccc(-c3cnc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AQOYGIRESOAINR-UHFFFAOYSA-N
-rxn:5:178295:227330:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SUHNOQYEBYTPEG-UHFFFAOYSA-N
-rxn:5:178295:227352:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PUCWDQRZUCSMDS-UHFFFAOYSA-N
-rxn:5:178295:227415:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,YTXDAVZCQJAXQF-UHFFFAOYSA-N
-rxn:5:178295:227512:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)ncc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,HBFGUXCLRMZBTB-UHFFFAOYSA-N
-rxn:5:178295:227530:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ILZWWPWYLAQDKL-UHFFFAOYSA-N
-rxn:5:178295:227534:227932,CCOc1cc(F)c(-c2ccc(-c3cc(COC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NCTKGINTSQHXKR-UHFFFAOYSA-N
-rxn:5:178295:227544:228564,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,NKLAGXFYKWRGMW-UHFFFAOYSA-N
-rxn:5:178295:227588:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2c(OC)cc(F)cc2OC)CCC(=O)CC1,MERIWHMXBSCICQ-UHFFFAOYSA-N
-rxn:5:178295:227590:226883,COC(=O)C1(c2cc(-c3c(F)ccc(C(F)(F)F)c3F)ccc2-c2ccc(CC(F)(F)F)cc2)CCC(=O)CC1,ORXCBWYRDXXUKH-UHFFFAOYSA-N
-rxn:5:178295:227675:228567,CCC(C)c1sccc1-c1ccc(-c2cc(OC)c(C)c(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,XZSPJQXSIIMELT-UHFFFAOYSA-N
-rxn:5:178295:227807:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,XGKBZMIQGZDJKV-UHFFFAOYSA-N
-rxn:5:178295:227807:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,MIOGKNLBHLFKGE-UHFFFAOYSA-N
-rxn:5:178295:227810:223189,CCC(C)c1ccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,YQGQREONHLXNAQ-UHFFFAOYSA-N
-rxn:5:178295:227811:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,OWNUFNGBHBLYEW-UHFFFAOYSA-N
-rxn:5:178295:227813:227704,CCc1cccc(CC)c1-c1ccc(-c2cc(C(F)F)ncc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PPGAFHXCHBYGEH-UHFFFAOYSA-N
-rxn:5:178295:227815:227094,CCC(C)c1ccccc1-c1ccc(-c2cnccc2C2CCCC2)cc1C1(C(=O)OC)CCC(=O)CC1,QEZZZBNFEHOVTP-UHFFFAOYSA-N
-rxn:5:178295:227815:227293,CCC(C)c1ccccc1-c1ccc(-c2cncc(OC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,LFHXKHDPTHVRPE-UHFFFAOYSA-N
-rxn:5:178295:227816:227120,CCCc1ccc(-c2ccc(-c3ccc(C4CCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,OZVGNTZXAFLGSP-UHFFFAOYSA-N
-rxn:5:178295:227818:227515,CCC(C)c1cccc(-c2ccc(-c3cc(OC(C)C)cnc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZQIVWAVMTQZIEJ-UHFFFAOYSA-N
-rxn:5:178295:227819:227102,CCc1cc(CC)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VZDBZSPYWKPLCV-UHFFFAOYSA-N
-rxn:5:178295:227833:227704,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(F)F)ncc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,DYMCRCZLBAVRHM-UHFFFAOYSA-N
-rxn:5:178295:228144:226914,CCCc1ccc(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,FGKVKSQTICLPJZ-UHFFFAOYSA-N
-rxn:5:178295:228156:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,GEXCBYONGSPXCA-UHFFFAOYSA-N
-rxn:5:178295:228157:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,IPBORLJEQAMHEH-UHFFFAOYSA-N
-rxn:5:178295:228157:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,WPSOHDLYRNDEBI-UHFFFAOYSA-N
-rxn:5:178295:228179:227071,COCc1cc(F)cc(-c2ccc(-c3c(C)cc(COC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DUCLPCCWRHJNPA-UHFFFAOYSA-N
-rxn:5:178295:228182:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cccc(CC(F)F)c2)CCC(=O)CC1,ASZAYOJDDQZGOE-UHFFFAOYSA-N
-rxn:5:178295:228189:226215,CCSc1ccc(F)c(-c2ccc(-c3ccc4c(c3)CC/C4=N\OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HPDPMDRRNGJYGN-VBMGMRCRSA-N
-rxn:5:178295:228189:227346,CCCc1cc(F)c(-c2ccc(-c3cc(SCC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,UNVUCNZXIQGSBK-UHFFFAOYSA-N
-rxn:5:178295:228261:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2c(SC)ccc(F)c2C)CCC(=O)CC1,LTHDLKADSITDHX-UHFFFAOYSA-N
-rxn:5:178295:228269:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cc(OC)c(C)cc2F)CCC(=O)CC1,CULILHFXPYRFSG-UHFFFAOYSA-N
-rxn:5:178295:228277:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2c(OC)ccc(F)c2C)CCC(=O)CC1,ITGDTVJKZVIWPP-UHFFFAOYSA-N
-rxn:5:178295:228278:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2cc(F)c(C)cc2OC)CCC(=O)CC1,AZIXDRALYQQSIV-UHFFFAOYSA-N
-rxn:5:178295:228283:228195,COC(=O)C1(c2cc(-c3cn(C(C)(C)C)nc3C)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,DZOHILHMGKMKIE-UHFFFAOYSA-N
-rxn:5:178295:228317:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)OC)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,GQELNQQFFQQLGB-UHFFFAOYSA-N
-rxn:5:178295:228428:223260,CNC(=O)c1cc(F)cc(-c2ccc(-c3cc(OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DMDNZOYLTGPAQM-UHFFFAOYSA-N
-rxn:5:178295:228437:227522,COC(=O)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,YJUWAZJEYOAVSO-UHFFFAOYSA-N
-rxn:5:178295:228503:225515,COC(=O)C1(c2cc(-c3cccc4c3OCC(C)(C)CO4)ccc2-c2ccc3c(c2)CCC3)CCC(=O)CC1,BVOJFWAWOKNZQX-UHFFFAOYSA-N
-rxn:5:178295:228516:225499,CCc1cc(C)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZNIGZEYBMSIQTC-UHFFFAOYSA-N
-rxn:5:178295:228517:226085,CC#Cc1ccccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,STSWOOSZRZBSBZ-UHFFFAOYSA-N
-rxn:5:178295:228562:223229,CCC(C)c1csc(-c2ccc(-c3cc(NC(C)=O)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UZIRQHBKYRCAFL-UHFFFAOYSA-N
-rxn:5:178295:228562:226058,CCC(C)c1csc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SRFOZXINCZIBOH-UHFFFAOYSA-N
-rxn:5:178295:228562:226946,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)CCN(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DXOOQTLXBINLSX-UHFFFAOYSA-N
-rxn:5:178295:228562:227591,CCC(C)c1csc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NZOQZARGXFVJDW-UHFFFAOYSA-N
-rxn:5:178295:228563:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(CC(C)C)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,WVXSLOTXKXBZLY-UHFFFAOYSA-N
-rxn:5:178295:228564:227043,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)s1,XLRSBCOIMRQREN-UHFFFAOYSA-N
-rxn:5:178295:228567:227326,CCC(C)c1sccc1-c1ccc(-c2cc(C(=O)OC)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,LNLPYEMCNDAUTL-UHFFFAOYSA-N
-rxn:5:178295:228567:228346,CCC(C)c1sccc1-c1ccc(-c2cc(C(=O)OC)sc2C)cc1C1(C(=O)OC)CCC(=O)CC1,RJYUPWAPSUXIDR-UHFFFAOYSA-N
-rxn:5:178295:228605:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cccc(C)c2OC)CCC(=O)CC1,UBZZIAJHHSFHJT-UHFFFAOYSA-N
-rxn:5:178295:228621:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(C)cc2SC)CCC(=O)CC1,CVBMZGSYYUSETO-UHFFFAOYSA-N
-rxn:5:178295:228625:226212,CCc1ccc(-c2ccc(-c3ccc4c(c3)CCC4=NOC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NPZOUDNZUMOQDH-UHFFFAOYSA-N
-rxn:5:178295:228759:223008,COC(=O)C1(c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,ICZSYHCUSXAVLA-UHFFFAOYSA-N
-rxn:5:178295:228774:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2c(F)cccc2OC)CCC(=O)CC1,KUSVCTSYCAHULI-UHFFFAOYSA-N
-rxn:5:178295:228780:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cccc(F)c2OC)CCC(=O)CC1,JSFBIKJHOIHFFD-UHFFFAOYSA-N
-rxn:5:178295:229054:225498,COCc1cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cs1,CZZCZDAVIYGNMK-UHFFFAOYSA-N
-rxn:5:178313:226917:223018,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)(C)C)c1,ZAPQQJXYNCIUNP-UHFFFAOYSA-N
-rxn:5:178368:225613:227086,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(OC2CCCCC2)c1,DHVBGKIKLKDAGH-UHFFFAOYSA-N
-rxn:5:178368:226177:226177,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(C2CCCCC2)c1,VHKFTNARZKEAGK-UHFFFAOYSA-N
-rxn:5:178466:223002:225871,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)cc3F)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,MDLAOHJTNRESDG-UHFFFAOYSA-N
-rxn:5:178466:223062:225784,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,LBXINPDPOIHLSP-UHFFFAOYSA-N
-rxn:5:178466:225655:225834,CC1CCN(c2cncc(-c3ccc4c(-c5cc(N6CCCCC6)ncc5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,VVPPORGFWHBNGU-UHFFFAOYSA-N
-rxn:5:178466:225784:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cnc(C2CCNCC2)cc1F,YWTAMIPMHJAMSA-UHFFFAOYSA-N
-rxn:5:178466:225849:223062,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,DYDVNKPQJZJIPE-UHFFFAOYSA-N
-rxn:5:178467:222986:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,OUZCSSBRJAHOKA-UHFFFAOYSA-N
-rxn:5:178467:223061:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,DVCAIOUUGBVQCQ-UHFFFAOYSA-N
-rxn:5:178467:223065:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,NYQJGFOZEGULHA-UHFFFAOYSA-N
-rxn:5:178467:223131:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,DDZGAGVVMVMEAX-UHFFFAOYSA-N
-rxn:5:178467:223139:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,KYWHTMTWEKZEEP-UHFFFAOYSA-N
-rxn:5:178467:223377:226330,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCCC4)s3)cc(-c3cnc4c(c3)CC(=O)N4)c2OC1,WVNDFQOKFCNOIG-UHFFFAOYSA-N
-rxn:5:178467:225498:228156,CCOC(=O)C1=Cc2cc(-c3cc(OC)ccc3OC)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,LQNUJEZTPQOXQL-UHFFFAOYSA-N
-rxn:5:178467:225833:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,IXYXSGLGDVQMST-UHFFFAOYSA-N
-rxn:5:178467:225833:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,RFYFWCVAFQJXFG-UHFFFAOYSA-N
-rxn:5:178467:225834:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,XDLPERPMGVLVMQ-UHFFFAOYSA-N
-rxn:5:178467:225834:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,YLDBIKKYNCIBAI-UHFFFAOYSA-N
-rxn:5:178467:225980:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,MDWBUBIWMYCSLK-UHFFFAOYSA-N
-rxn:5:178467:225982:227964,CCOC(=O)C1=Cc2cc(-c3cncc(C4(C)CC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,NVCYRTINWRURRE-UHFFFAOYSA-N
-rxn:5:178467:226426:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(N4CCC(C)CC4)s3)c2OC1,VFXVZGZRAZPZJJ-UHFFFAOYSA-N
-rxn:5:178467:226644:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,WYWJSMUARSJLEC-UHFFFAOYSA-N
-rxn:5:178467:226649:227412,CCOC(=O)C1=Cc2cc(-c3cnc(C(C)(C)C)cc3F)cc(-c3cccnc3N3CCOCC3)c2OC1,BIJNMEPOBMCUDD-UHFFFAOYSA-N
-rxn:5:178467:226665:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,CHCGHTABXISPIN-UHFFFAOYSA-N
-rxn:5:178467:226794:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,RWJSKNKNDGHMDO-UHFFFAOYSA-N
-rxn:5:178467:226794:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,FFSTVBMPKCIHJR-UHFFFAOYSA-N
-rxn:5:178467:226898:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cn(S(=O)(=O)N(C)C)nc3C)c2OC1,GCSSISOVOYTEIY-UHFFFAOYSA-N
-rxn:5:178467:227387:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,JWBCFEKPLBNTGJ-UHFFFAOYSA-N
-rxn:5:178467:227703:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,JQRPCWYNQGNYPT-UHFFFAOYSA-N
-rxn:5:178467:227803:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,HKXZHJHQWIYYLW-UHFFFAOYSA-N
-rxn:5:178467:228099:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N(C)CC)c3)c2OC1,OLIZUISPFJVAOE-UHFFFAOYSA-N
-rxn:5:178467:228321:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,ULHJKMTVLLINMD-UHFFFAOYSA-N
-rxn:5:178467:228339:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccncc3C(=O)OC)c2OC1,NYTPQEYMWPTAEW-UHFFFAOYSA-N
-rxn:5:180021:226335:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(C2COC2)c(C#N)c1,UFBRCJSIWFNFAX-UHFFFAOYSA-N
-rxn:5:180021:226426:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCC(C)CC2)s1,OBGQKDJMFUAFDO-UHFFFAOYSA-N
-rxn:5:180022:227611:222996,COc1c(-c2ccc(F)cc2C2CCCNC2)ccc(-c2ccnn2C2CCCCO2)c1C1OCCO1,MOOXWIXUNCLGDU-UHFFFAOYSA-N
-rxn:5:180202:225672:226464,COc1ccc2c(c1-c1cc(-c3cc(F)nc(C4CCCCC4)c3)ccc1OC1CCOCC1)OCCO2,FDMOCLTZYIVTRK-UHFFFAOYSA-N
-rxn:5:180402:226058:226085,CC(C)c1cccc(C(C)C)c1-c1ccc(C(=O)C2CCCCC2)c(-c2ccc3c(c2)CCC(C)(C)O3)c1,JNBXFZDBUYEYLH-UHFFFAOYSA-N
-rxn:5:180421:226183:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cnccc1C1CCCCC1,MZNZIZZIWVYAJW-UHFFFAOYSA-N
-rxn:5:180506:223242:226734,CN(C)S(=O)(=O)c1cccc(-c2c(-c3ccnc(C4CCNC4)c3)cc(C(C)(C)C)cc2C2OCCO2)c1,FFYXRTQYPOFNPM-UHFFFAOYSA-N
-rxn:5:180662:222986:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,BSTSLEJCKFUGKE-PKNBQFBNSA-N
-rxn:5:180662:223148:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccccc3C3CNCCO3)c2OC1,IWUDJYIJOXRIPO-UHFFFAOYSA-N
-rxn:5:180662:223202:222960,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,SZSJGHWEWJGLSQ-UHFFFAOYSA-N
-rxn:5:180662:226144:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,PXOAQJAMBIEGOL-UHFFFAOYSA-N
-rxn:5:181906:223007:226686,Cc1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,WXBOZEOOUIPLAJ-UHFFFAOYSA-N
-rxn:5:181906:225805:226665,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cnc(C2CCCOC2)nc1,GTEKTSPLFGJNCV-UHFFFAOYSA-N
-rxn:5:181908:225394:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(C2CCCNC2)n1,DNNCVSIEANQIQI-UHFFFAOYSA-N
-rxn:5:181908:225684:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)n1,HKPPBDGGMGWLRV-UHFFFAOYSA-N
-rxn:5:181908:226330:225985,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,MFRUXIIUYAPACN-UHFFFAOYSA-N
-rxn:5:182012:222956:226686,Cc1ccc(-c2ccc(-c3c(C)cnn3C3CCCCO3)c(C3CCCOC3)c2)c(C2CCCNC2)c1,OANUSQIWHOSJTM-UHFFFAOYSA-N
-rxn:5:182013:223058:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1C1CCOCC1,LJUBFZJMPQUANK-UHFFFAOYSA-N
-rxn:5:183189:222958:225394,Cc1ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)cc3c2OC(C)(C)OC3)cc1C1CCNCC1,HJQAFHHHRRHNCU-UHFFFAOYSA-N
-rxn:5:183190:225814:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc2c(c(-c3cccc(C4(C(F)(F)F)CC4)c3)c1)CC(C)(C)C2=O,CQSXSLUUIUXWNW-UHFFFAOYSA-N
-rxn:5:188930:223138:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1ccnc(N2CCOCC2)c1,RYESIFRDZDZMPI-UHFFFAOYSA-N
-rxn:5:188930:225808:227560,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccc(OC)c(C(F)F)c1,GOXPHAHCLSTBND-UHFFFAOYSA-N
-rxn:5:188932:223140:225631,COC(=O)c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCNC3)c2)c1,IOZNFDNIQOHYLB-UHFFFAOYSA-N
-rxn:5:189208:223360:225465,CNCc1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CCN(C)CC4)c3)c2)c1F,GGBWNUBIWRPLTK-UHFFFAOYSA-N
-rxn:5:189208:227102:226920,Cc1ccc(C(C)(C)C)cc1-c1cc(-c2cc(C(C)(C)C)ccc2F)ccc1C(=O)ON1C(=O)CCC1=O,PBUOCKFQZVOWLB-UHFFFAOYSA-N
-rxn:5:189208:228713:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(-c2ccn(C(C)(C)C)n2)ccc1C(=O)ON1C(=O)CCC1=O,MSBHVGNYQHGPBK-UHFFFAOYSA-N
-rxn:5:189209:228305:226679,CC(C)Oc1cnc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(N4CCCC4)cc3F)c2)cn1,GHHGZWXECZFNSF-UHFFFAOYSA-N
-rxn:5:189212:226974:223062,CC1(C)OCc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCNCC4)cc3F)ccc21,QVLBEIKKBDFRQT-UHFFFAOYSA-N
-rxn:5:189320:226424:225976,CC1CCCN(c2csc(-c3cc(C(=O)OC(C)(C)C)cnc3-c3ccnc(N4CCOCC4)c3F)c2)C1,IHNKGUWOCWYVRO-UHFFFAOYSA-N
-rxn:5:189321:223148:225588,CC(C)(C)OC(=O)c1nc(-c2ccccc2C2CNCCO2)ccc1-c1ccccc1CN1CCSCC1,ASZDSAYFMHNFOK-UHFFFAOYSA-N
-rxn:5:189321:226059:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)nc2C(=O)OC(C)(C)C)cc1C,YFBGFIOQPCRXGZ-UHFFFAOYSA-N
-rxn:5:189664:222983:227024,CC(c1cccc(-c2cc(-c3cccc(CN4CCC(O)C4)c3)ccc2CC(=O)N2CCCC2)c1)N(C)C,LQXCFQAGLRPVFY-UHFFFAOYSA-N
-rxn:5:189667:222413:225803,Cc1cc(S(N)(=O)=O)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccnc(OC3CCOCC3)c2)c1,HLMLOZWQRMVKHC-GLQYLJCDSA-N
-rxn:5:189671:223143:226852,COc1ncc(-c2cccc(-c3cccc(N4CCC(O)C4)c3)c2/C=N/S(=O)C(C)(C)C)cc1C(F)(F)F,ZONPRHPMKXLDHY-MHDJOFBISA-N
-rxn:5:189718:223383:225879,CC(=O)Nc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(N3CCOCC3)cc2F)cn1,UHCLGIMENGQTIG-UHFFFAOYSA-N
-rxn:5:189909:225982:226644,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GETCSEPGOLOGJV-UHFFFAOYSA-N
-rxn:5:189910:226644:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GVTJYBFJAOZOSS-UHFFFAOYSA-N
-rxn:5:189952:222417:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FPPJUBAAQPFSOC-UHFFFAOYSA-N
-rxn:5:189952:223199:227412,COc1c(-c2cccc(C3CCNC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(C)(C)C)cc1F,OYQDABMIFSMBLY-UHFFFAOYSA-N
-rxn:5:189952:225637:226139,COc1c(-c2ccccc2N2CCN(C)CC2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CC2)cnc1C1CC1,SXMFGYZCNHHCLL-UHFFFAOYSA-N
-rxn:5:190127:226583:222417,COC1CCN(C(=O)c2cc(-c3ccc(CN4CCOCC4)s3)ccc2-c2cnc(=O)[nH]c2C(C)C)CC1,STSBEBYGOZUMCP-UHFFFAOYSA-N
-rxn:5:190128:228472:226130,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)nc3)c(-c3ccc(CN4CCCC4)cc3)c2)CC1,YSASPJBQMRPKJQ-UHFFFAOYSA-N
-rxn:5:190194:227073:226190,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCC3)cc2F)cc(C2CC2)c1,VZTRQXONOCVJLY-UHFFFAOYSA-N
-rxn:5:190195:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,BPLOYDULAFEUKJ-UHFFFAOYSA-N
-rxn:5:190195:223113:223056,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCC(O)CC3)nc2)c1)C1CCOCC1,KXWTUPGPRAGYNU-UHFFFAOYSA-N
-rxn:5:190195:223113:226645,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(N3CCOCC3)c2)c1)C1CCOCC1,QOBWKRUXHSETKY-UHFFFAOYSA-N
-rxn:5:190195:225976:223141,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cncc(C3CCNCC3)c2)c1)C1CCOCC1,LCYUUZGNDKMDDS-UHFFFAOYSA-N
-rxn:5:190199:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,MMIVTMLZPCPGFF-UHFFFAOYSA-N
-rxn:5:190199:223113:223062,CN(Cc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,MJWHVQXGDLCMDP-UHFFFAOYSA-N
-rxn:5:190201:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOC(C)C3)c2)CC1,KKSUWKJBVIREKU-UHFFFAOYSA-N
-rxn:5:190201:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOC(C)C4)c3)c2)CC1,NAPAYQKAWNLCPC-UHFFFAOYSA-N
-rxn:5:190201:225978:223113,CC1CN(CCc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,QPMYFZNBCSKWIC-UHFFFAOYSA-N
-rxn:5:190231:225980:228712,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1C1CCC1,NKYJMMWLQXPSCQ-UHFFFAOYSA-N
-rxn:5:190231:226645:222417,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,NKCUNQZTGPDISW-UHFFFAOYSA-N
-rxn:5:190231:228378:227311,CCC(C)c1cc(F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(C#N)c(F)c3F)c2OC)cn1,CNDZNWDLCZJMJE-UHFFFAOYSA-N
-rxn:5:190264:225509:226415,CC1CCN(C(=O)Cc2ccc(-c3ccccc3N3CCOCC3)c(-c3ccc4c(C5CC5)nn(C)c4c3)c2)CC1,UJBOTCQOZQYNNA-UHFFFAOYSA-N
-rxn:5:190309:226345:226762,COC(=O)c1cc(-c2ccc(-c3cc(SC)cc(C(F)(F)F)c3)c(CCN3CCCCC3C)c2)c(C)cc1C,XDXSABITZYSSSD-UHFFFAOYSA-N
-rxn:5:190335:226644:228612,COc1cccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cncc(N4CCOCC4)c3)c2OC)c1C,XPKLEVMTYHPHBE-UHFFFAOYSA-N
-rxn:5:190336:225705:226325,COc1cnc2c(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4ccc(C(C)(C)C#N)cc4F)c3OC)cc(C)cc2n1,ADWBAQUDOCAEKX-UHFFFAOYSA-N
-rxn:5:190337:227689:228182,COc1c(-c2ccc(CC(F)(F)F)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cccc(CC(F)F)c1,WUFUQDRCGVXWBO-UHFFFAOYSA-N
-rxn:5:190404:227943:225931,Cc1cc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cc(C)ccc4N(C)C)o3)CCS2)cc(S(=O)(=O)N(C)C)c1,WXPBMAONQGVNMM-UHFFFAOYSA-N
-rxn:5:190484:223142:227506,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-XDJHFCHBSA-N
-rxn:5:190484:223146:223200,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,YDVOZWQBDNFOBV-UHFFFAOYSA-N
-rxn:5:190484:226661:223311,CN1CCN(c2csc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6CNC6)c5)S(=O)(=O)CC4)c3)c2)CC1,IONWCULKGSPJPX-UHFFFAOYSA-N
-rxn:5:190484:227084:228227,Cc1nc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)C)nc3F)S(=O)(=O)CC2)c1,RLOIFSMDINHZPS-UHFFFAOYSA-N
-rxn:5:190484:227497:227124,Cc1nc(OC(C)C)ncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)CC2)c1,VXFGTELQHUAKGL-UHFFFAOYSA-N
-rxn:5:190484:227907:227701,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(=O)OC)ncc4F)S(=O)(=O)CC3)c2)c1,NVOAMIXZLRQTQA-UHFFFAOYSA-N
-rxn:5:190484:227909:227315,CCC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(CC(C)C)cc4F)S(=O)(=O)CC3)c2)ccn1,WTRGFPUJZCKDRJ-UHFFFAOYSA-N
-rxn:5:190484:228106:227124,CCC(C)c1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)cn1,CRJOVQQFTFBMKE-UHFFFAOYSA-N
-rxn:5:190484:228117:227415,CC(C)Oc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)c1,WXWZTHGGOWEMDU-UHFFFAOYSA-N
-rxn:5:190484:228211:223312,O=C(c1cccc(-c2cc(N3CCCC3)cs2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,RXZXROHVLGUPMA-UHFFFAOYSA-N
-rxn:5:190484:228243:227076,CCC(C)c1ccc(F)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(C(C)=O)c4F)c3)CCS2(=O)=O)c1,NAELAXZPBUUWAT-UHFFFAOYSA-N
-rxn:5:190484:228308:227492,CCOc1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(OC)ncnc4C4CC4)S(=O)(=O)CC3)c2)c(C)n1,OMRJBGFKVKUTGL-UHFFFAOYSA-N
-rxn:5:190740:225834:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,MBZCTZCHIPOEIT-UHFFFAOYSA-N
-rxn:5:190740:225849:225633,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,ZUOLXVLLMIJPFT-UHFFFAOYSA-N
-rxn:5:190740:225976:223065,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCNCC2)cc1F,SAUYPSSAWBKLJH-UHFFFAOYSA-N
-rxn:5:190740:225982:226661,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCN(C)CC2)cs1,NFZKKNHIAGOALL-UHFFFAOYSA-N
-rxn:5:190740:226662:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1ccc(N2CCOCC2)nc1F,OYPUSDPALQZBOZ-UHFFFAOYSA-N
-rxn:5:190741:223062:223064,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,BGQSSMYYANPVLN-UHFFFAOYSA-N
-rxn:5:190741:226427:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,ZLHOMNPNKLODBP-UHFFFAOYSA-N
-rxn:5:190741:226583:225980,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,DLBULYFMXVEKJA-UHFFFAOYSA-N
-rxn:5:190742:223062:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,NIIQQHZFUSDDOY-UHFFFAOYSA-N
-rxn:5:190742:223062:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(N2CCCCC2)c1F,BUWYDBVMTFEYLL-UHFFFAOYSA-N
-rxn:5:190742:223062:225978,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCOCC2)nc1F,RIFXUJCDDRXCLC-UHFFFAOYSA-N
-rxn:5:190742:225590:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccc(N2CCOCC2)nc1F,BYYPBLVOONESQK-UHFFFAOYSA-N
-rxn:5:190742:225633:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,ZLDZXMKHJFYVFH-UHFFFAOYSA-N
-rxn:5:190742:225881:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccnc(N2CCOCC2)c1F,QBINBSWZIJHMBU-UHFFFAOYSA-N
-rxn:5:190742:225976:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cc(C2CCNCC2)ncc1F,RNSGGPFSOYWJDN-UHFFFAOYSA-N
-rxn:5:190742:225976:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)nc1,UQVOJNZNKXBIHK-UHFFFAOYSA-N
-rxn:5:190742:225982:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,YXHXDFYMWZYANV-UHFFFAOYSA-N
-rxn:5:190742:225982:225978,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCOCC2)nc1F,VKCUDRZGWWGJJM-UHFFFAOYSA-N
-rxn:5:190742:226583:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(F)c(C2CCNCC2)c1,SQHAWKKUZKUQEJ-UHFFFAOYSA-N
-rxn:5:190742:226583:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,OGSXQXBAQBWQFU-UHFFFAOYSA-N
-rxn:5:190743:223062:225834,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,MQRPAPRTTGBWHR-UHFFFAOYSA-N
-rxn:5:190743:223064:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,LEPIUICGKZICDB-UHFFFAOYSA-N
-rxn:5:190743:225655:223064,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1ccc(C2CCNCC2)nc1F,AZKWWBAMGFNQKC-UHFFFAOYSA-N
-rxn:5:190744:223056:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,IZRBHOJDTLRMMJ-UHFFFAOYSA-N
-rxn:5:190744:223064:223062,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,GGJFZIHVCDMTPP-UHFFFAOYSA-N
-rxn:5:190744:225656:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XACGWNKWRGJXNQ-UHFFFAOYSA-N
-rxn:5:190744:225976:225833,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,MDBMDQQLLJSIRP-UHFFFAOYSA-N
-rxn:5:190744:225978:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,UYNCZURDBBEYNF-UHFFFAOYSA-N
-rxn:5:190744:225982:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XQOVWEWITPDWBF-UHFFFAOYSA-N
-rxn:5:190744:226661:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,MIUADBPCYIRFSL-UHFFFAOYSA-N
-rxn:5:190795:225666:225817,CC(C)(C)OC(=O)n1cc(-c2cc(F)cc(N3CCCCC3)c2)c2ccc(-c3ccc(C(F)(F)F)c(C4CC4)c3)cc21,LFDFGNOUQJPULM-UHFFFAOYSA-N
-rxn:5:190796:225450:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc2c1c(-c1ccc(C(=O)C3CCCC3)cc1)cn2C(=O)OC(C)(C)C,IGZHXNUHEACTGF-UHFFFAOYSA-N
-rxn:5:190798:225450:226062,CC(C)c1cc(-c2ccc3c(c2)c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,DJLWHKYBIQINPW-UHFFFAOYSA-N
-rxn:5:190798:226589:223018,CC(C)c1cnc(C(F)F)cc1-c1cn(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc12,SMRHPZKOQFCIMF-UHFFFAOYSA-N
-rxn:5:190833:226917:227906,CCC(C)c1ncccc1-c1ccc(-c2cc(C)cc(C(C)(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,WUEGMXUKXBDYNM-UHFFFAOYSA-N
-rxn:5:190833:227950:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(N(C)C)ccc3C)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,IDZQZURLUSZGIY-UHFFFAOYSA-N
-rxn:5:190833:227971:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnccc3C(C)(C)C)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,SKAGQLMKXJQWBP-UHFFFAOYSA-N
-rxn:5:190859:226917:227048,Cc1cc(-c2ccc3c(c2-c2ccc(C(=O)C(C)C)cc2)CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,PTYCWCSUCUZPCB-UHFFFAOYSA-N
-rxn:5:190998:227831:226059,CCc1c(C)cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)C)cc4C(C)C)cc2C(=O)OC)C(=O)CO3)cc1C,WIFFJJQGIGQVSI-UHFFFAOYSA-N
-rxn:5:191026:226794:228431,COC(=O)C1=CN(c2ccc(C)c(-c3cc(F)cc(F)c3SC)c2)c2cc(-c3cnc(N4CCSCC4)nc3)ccc2S1(=O)=O,JWQDCXUGKGOHJJ-UHFFFAOYSA-N
-rxn:5:191026:228375:222405,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C4NC(=O)NC4=O)c3)c2)c2cc(-c3c(F)ccc(C#N)c3F)ccc2S1(=O)=O,PASHFMBOLDDXDY-UHFFFAOYSA-N
-rxn:5:192235:223139:225805,COc1cc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,PSZKGVKCVUKTQH-UHFFFAOYSA-N
-rxn:5:193226:223006:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,PCBQARFSTJBESI-UHFFFAOYSA-N
-rxn:5:193226:225982:223141,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cncc(C3CCNCC3)c2)c1)N1CCOCC1,SSJWGNZMBFMCDJ-UHFFFAOYSA-N
-rxn:5:193226:227074:225831,CCOc1c(C)cc(C)cc1-c1ccc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)c(C)c1,VIBWCFOSIPSGMF-UHFFFAOYSA-N
-rxn:5:193230:222960:225671,Cc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(C4CCCCC4)ncc3F)c2)cc(C2CCNCC2)c1,LGAHNRIFUWQGKR-UHFFFAOYSA-N
-rxn:5:193230:225655:223065,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)c(-c4ccc(N5CCNCC5)cc4F)c3)c2)CC1,HRFUGSJKZODTKB-UHFFFAOYSA-N
-rxn:5:193230:225978:227316,CC(C)Cc1cc(-c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2C(=O)N2CCOCC2)cc(F)n1,LLTHSFIMRDMELQ-UHFFFAOYSA-N
-rxn:5:193230:226583:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,DLHYXGDJGWQRBV-UHFFFAOYSA-N
-rxn:5:193335:225982:225834,Fc1cc(N2CCOCC2)ncc1-c1cccc(-c2cc(N3CCCCC3)ncc2F)c1CN1CCOCC1,FNAWSNXBESGMQL-UHFFFAOYSA-N
-rxn:5:193337:225803:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)cc3CN3CCOCC3)cc21,YHYUMNPZFGPKPW-UHFFFAOYSA-N
-rxn:5:193382:222958:228692,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(CN(C)C)s3)c2)cc1C1CCNCC1,BFLOKEUIFWKQHJ-UHFFFAOYSA-N
-rxn:5:193382:223131:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,LOWDCDWFFTUQHG-UHFFFAOYSA-N
-rxn:5:193382:223285:227684,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnn(CC3OCCO3)c2)c1,NLXFYSPFUDBMCC-UHFFFAOYSA-N
-rxn:5:193382:223288:226661,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)c1,FUYSAMAPLLTASK-UHFFFAOYSA-N
-rxn:5:193382:225943:223242,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNC4)c3)c2)s1)N1CCOCC1,KTRASLIZDMRFJC-UHFFFAOYSA-N
-rxn:5:193382:226645:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccnc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,KLILIXYUKDVDIK-UHFFFAOYSA-N
-rxn:5:193382:226661:223146,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CNCCO5)c4)c3)c2)CC1,YWCYDIJVOYJPGZ-UHFFFAOYSA-N
-rxn:5:193382:226661:223311,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CNC5)c4)c3)c2)CC1,BOVGOFOLSVXFTP-UHFFFAOYSA-N
-rxn:5:193382:226662:223286,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(NS(C)(=O)=O)c4)c3)s2)CC1,XHVCLEJNIDFADH-UHFFFAOYSA-N
-rxn:5:193382:226662:227992,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5COC5)cc4)c3)s2)CC1,MSFUQYYGCBKGFE-UHFFFAOYSA-N
-rxn:5:193382:226665:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCOCC2)cc1,UWTXGWRBXSGUCS-UHFFFAOYSA-N
-rxn:5:193382:227803:223140,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCCNC3)c2)c1,SRFSPDRITAXKDX-UHFFFAOYSA-N
-rxn:5:193461:225805:227611,CC(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccnn3C3CCCCO3)c2)s1)N1CCOCC1,PRLYRNNQPRWLII-UHFFFAOYSA-N
-rxn:5:193466:223002:226411,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1ccc(C2CCNCC2)cc1F,WMFRGDGKVYCQGX-HSZRJFAPSA-N
-rxn:5:193466:223018:223285,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2NS(C)(=O)=O)cc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,PUGVQGIRHFNSAA-GOSISDBHSA-N
-rxn:5:193506:222959:223148,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)ccc1C1CCNCC1,XTPWCGJYWXTTDA-UHFFFAOYSA-N
-rxn:5:193506:223289:223139,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCNCC3)nc2)c1,GPJOSFTYKLPMHS-UHFFFAOYSA-N
-rxn:5:193506:223295:227438,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCOC4)c3)c2)c1,PMPMOCSQTIULDO-UHFFFAOYSA-N
-rxn:5:193506:223355:223142,CNC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCCNC3)nc2)c1,DKGKPLXVPKDXLJ-UHFFFAOYSA-N
-rxn:5:193506:227507:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccc(C3CCCNC3)nc2)CC1,KQQMCPBNPQNSOT-UHFFFAOYSA-N
-rxn:5:193506:228544:225831,Cc1cc(-c2cc(-c3ccc(CC#N)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cnc1N1CCOCC1,VHWAXUNOVFLDIY-UHFFFAOYSA-N
-rxn:5:193506:228677:223142,CC(C)Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCCNC4)nc3)c2)cn1,PFWRIKGDLRSVBH-UHFFFAOYSA-N
-rxn:5:193541:225636:223173,CC1CCN(c2cc(-c3cc(CN4CCCCC4)cc(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)ccn2)CC1,IKRNTOVKYSXZOV-UHFFFAOYSA-N
-rxn:5:193598:225577:226854,COc1ccc(F)c(-c2ccc(-c3ccc(N4CCCC4)cc3C#N)cc2C(=O)N2CCOC(C)C2)c1[N+](=O)[O-],AVBHUXNOBKIUDG-UHFFFAOYSA-N
-rxn:5:193710:225591:226338,O=C1C(=Cc2ccc(-c3ccnc(OC4CCCC4)c3)cc2)SC(=S)N1c1cccc(-c2cc(CN3CCCC3)ccc2F)c1,PCBZFEJUPOEARK-UHFFFAOYSA-N
-rxn:5:193751:228315:225879,CCOc1cc(-c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2C(=O)N2CCCC(C)C2)c(F)cn1,STNGZQXLBABTEF-UHFFFAOYSA-N
-rxn:5:193754:226321:226189,CC1CCN(C(=O)c2cccc(-c3ccc(SC4CCCC4)nc3)c2-c2ccc(C3CCCC3)c(F)c2)CC1,FAPVSCRKIUVDGC-UHFFFAOYSA-N
-rxn:5:193755:227119:226422,CC1CCCN(C(=O)c2cccc(-c3cc(C4CCCCC4)cs3)c2-c2cc(F)ccc2N2CCCC2)C1,RPRYBOIKJCPDHL-UHFFFAOYSA-N
-rxn:5:193866:227312:228140,CCC(C)c1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C(C)N(C)C)s2)c(F)n1,YNESYBVXIVEPSM-UHFFFAOYSA-N
-rxn:5:193866:228918:225465,CN1CCC(c2cccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3cnccc3C(F)F)c2)CC1,ZVPHFGZLOXUSAM-UHFFFAOYSA-N
-rxn:5:193867:226059:227808,CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)cc(C3(N4CCC(=O)CC4)CC3)c2)c(C(C)C)c1,DZXLHAKRCHHPOF-UHFFFAOYSA-N
-rxn:5:193869:225607:222420,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,QPGBXRBRAMSSDT-UHFFFAOYSA-N
-rxn:5:193869:225633:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)cc(C#N)n1,FUZYQAPVAGHLIP-UHFFFAOYSA-N
-rxn:5:193869:225633:228888,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)ncc1F,YUIVLXZJFQXBCY-UHFFFAOYSA-N
-rxn:5:193869:225633:228890,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,OSJBJPPKZOVWFN-UHFFFAOYSA-N
-rxn:5:193869:226366:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,SMQWGXSLOKGRHI-UHFFFAOYSA-N
-rxn:5:193869:226913:227375,CCc1cc(-c2cc(C)c(-c3ccc(N4CCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,KFNAEDUGQQZSJI-UHFFFAOYSA-N
-rxn:5:193869:226913:227387,CCc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,VOXXKLKOVUXDFO-UHFFFAOYSA-N
-rxn:5:193869:227506:223148,Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,INZBTFCYILXHOI-FOWTUZBSSA-N
-rxn:5:193869:227861:226441,Cc1cc(-c2cnc3c(c2)CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)cc1F,JTDWQWASVXOGIN-UHFFFAOYSA-N
-rxn:5:193869:228271:226366,COc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc1F,BACOZHMYIJQYFN-UHFFFAOYSA-N
-rxn:5:193869:228516:225636,CCc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,GOMRMPRGBVVMQP-UHFFFAOYSA-N
-rxn:5:193869:228524:225849,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,MJGYDTUKUNIGDC-UHFFFAOYSA-N
-rxn:5:193869:228584:225849,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,FZRIPVUAGDPSIC-UHFFFAOYSA-N
-rxn:5:193869:228588:225455,CC#Cc1cc(-c2cc(C)c(-c3cc(N4CCCCC4)ccc3C)cc2S(=O)(=O)N2CCCCC2)ccn1,WLOJBSWGICXXPS-UHFFFAOYSA-N
-rxn:5:193869:228637:225636,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,RCHNRBWBUORKCG-UHFFFAOYSA-N
-rxn:5:193869:228709:225633,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,XXUPBBJRNWDSIP-UHFFFAOYSA-N
-rxn:5:193869:228715:225849,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,GPDZBLWNMLNWTC-UHFFFAOYSA-N
-rxn:5:193869:228719:225633,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,AFDQRPLYLAYIFU-UHFFFAOYSA-N
-rxn:5:193869:228971:226067,Cc1cc(-c2csc(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)cc1,DTIHGPDRVXRGKH-UHFFFAOYSA-N
-rxn:5:193869:229062:225833,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,PGYULOVMXSKOLW-UHFFFAOYSA-N
-rxn:5:193869:229062:225849,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,VJDXOCVLUVJABN-UHFFFAOYSA-N
-rxn:5:193870:223186:227057,COc1cccc(-c2cc(-c3cnn(C4CCCCO4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1C1CC1,KZFHZWBPQLNFAC-UHFFFAOYSA-N
-rxn:5:193870:225633:228719,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)ncc2C)cc1-c1ccc(N2CCCCCC2)nc1,ZDLNMBWLRFZQLF-UHFFFAOYSA-N
-rxn:5:193870:225636:228639,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C)c(F)c2C)cc1-c1ccnc(N2CCC(C)CC2)c1,SHRRISIFBYDHNW-UHFFFAOYSA-N
-rxn:5:193870:225636:228883,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)cnc2F)cc1-c1ccnc(N2CCC(C)CC2)c1,AZNHKGGLWATSLG-UHFFFAOYSA-N
-rxn:5:193870:225833:228715,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)nc2C)cc1-c1ccnc(N2CCCCC2)c1F,PVWDRVJGOFJYRW-UHFFFAOYSA-N
-rxn:5:193870:225849:228503,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCC3)cc1-c1cnc(N2CCCCC2)cc1F,RLWDTRQGNWEUKL-UHFFFAOYSA-N
-rxn:5:193870:225849:228504,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCC3)cc1-c1cnc(N2CCCCC2)cc1F,FJWRETQACFHCAX-UHFFFAOYSA-N
-rxn:5:193870:225849:228524,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCC3)cc1-c1cnc(N2CCCCC2)cc1F,MXQDWGPJGOHSIE-UHFFFAOYSA-N
-rxn:5:193870:225849:229062,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)n2C)cc1-c1cnc(N2CCCCC2)cc1F,HEROCPIACUIDBX-UHFFFAOYSA-N
-rxn:5:193870:226366:227860,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCN3C)cc1-c1ccnc(N2CCCCC2)c1,IBVFSVJCYUBQBO-UHFFFAOYSA-N
-rxn:5:193870:226679:228078,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)COC3=O)cc1-c1cnc(N2CCCC2)cc1F,GVYBCEMMMWFBKH-UHFFFAOYSA-N
-rxn:5:193870:226679:228079,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2COC3=O)cc1-c1cnc(N2CCCC2)cc1F,WKVCKGATDBAIJV-UHFFFAOYSA-N
-rxn:5:193870:227375:226175,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)cc2C)cc1-c1ccc(N2CCCC2)nc1,DOYGCIGQDZOVSM-UHFFFAOYSA-N
-rxn:5:193870:227375:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1ccc(N2CCCC2)nc1,JPVZOSMUYVLCTC-UHFFFAOYSA-N
-rxn:5:193870:227375:227387,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCC3)c2)cc1-c1ccc(N2CCCC2)nc1,XJSLURQBVNWIQP-UHFFFAOYSA-N
-rxn:5:193870:227376:226175,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)cc2C)cc1-c1cncc(N2CCCC2)c1,QOMJECYXRBARET-UHFFFAOYSA-N
-rxn:5:193870:227376:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1cncc(N2CCCC2)c1,HGRUXFSIHQXCHL-UHFFFAOYSA-N
-rxn:5:193870:227376:226923,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C)c(C3CC3)cc2C)cc1-c1cncc(N2CCCC2)c1,YMTYFPNYEHOKJJ-UHFFFAOYSA-N
-rxn:5:193870:227376:227283,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)nc(C3CC3)c2)cc1-c1cncc(N2CCCC2)c1,SIQWGXMVULRWOI-UHFFFAOYSA-N
-rxn:5:193870:227376:227387,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCC3)c2)cc1-c1cncc(N2CCCC2)c1,YMMSMCCQSSLZOW-UHFFFAOYSA-N
-rxn:5:193870:227379:226412,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCC3)c2)cc1-c1cccnc1N1CCCC1,ASDKVOBUDUJWDF-UHFFFAOYSA-N
-rxn:5:193870:227379:226913,CCc1cc(-c2cc(-c3cccnc3N3CCCC3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,RTMAZUTYWGRYLX-UHFFFAOYSA-N
-rxn:5:193870:228234:226395,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCCC3)c2)cc1-c1c(C2CC2)ccnc1F,SZCFGFNDWKHOQL-UHFFFAOYSA-N
-rxn:5:193870:228588:225576,CC#Cc1cc(-c2cc(-c3ccc(N4CCCC4)c(C#N)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,ZUMGYBJDVIBJJZ-UHFFFAOYSA-N
-rxn:5:193870:228725:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1cc(F)cc(C#N)c1,ILQGQWIHOAQDDF-UHFFFAOYSA-N
-rxn:5:193870:228883:225655,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1cc(C#N)cnc1F,OIRCXGGAWSJTEQ-UHFFFAOYSA-N
-rxn:5:193870:228888:225633,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCCC3)nc2)cc1-c1cc(C#N)ncc1F,HNUVKOUWWFOQMX-UHFFFAOYSA-N
-rxn:5:193932:227089:225820,CC1CC(C)CN(C(=O)c2ccc(-c3c(C4CC4)cccc3C(F)(F)F)c(-c3ccncc3C3CCCC3)c2)C1,KMUMEOSCVCOPFL-UHFFFAOYSA-N
-rxn:5:193967:228970:226136,Cc1cc(C#N)c(-c2cc(-c3ccc(C(F)(F)F)s3)ccc2CN2CCC3(CC2)OCCO3)cc1C1CC1,FQTIRUMOWQROIV-UHFFFAOYSA-N
-rxn:5:193972:225633:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,SJYXJXLJNYVXLL-UHFFFAOYSA-N
-rxn:5:193972:225634:229029,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCCC4)c(C)c3)cc2C)ccc1F,HPGJFFZPKJJLKL-UHFFFAOYSA-N
-rxn:5:193972:225634:229037,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCCC4)c(C)c3)cc2C)cc1F,JFTXOAVPMOBFIS-UHFFFAOYSA-N
-rxn:5:193972:225634:229041,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1F,QDFFHKXURAKZBG-UHFFFAOYSA-N
-rxn:5:193972:225634:229060,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,UNSREESDTQMKEN-UHFFFAOYSA-N
-rxn:5:193972:226181:228529,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)CCO2,WFVZJMAXSCOZRL-UHFFFAOYSA-N
-rxn:5:193972:226181:228530,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)OCC2,BRLXKBWFKVHKIK-UHFFFAOYSA-N
-rxn:5:193972:226181:228531,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1CCO2,LJNUBSYJNPUQFN-UHFFFAOYSA-N
-rxn:5:193972:226181:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCCCC4)nc3)cc2C)cc(C#N)n1,VQYUSFACIJITRD-UHFFFAOYSA-N
-rxn:5:193972:226366:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc(C#N)n1,IDSRUALJOLOKJJ-UHFFFAOYSA-N
-rxn:5:193972:226395:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc(C#N)n1,VLAPKTXVNBUHTN-UHFFFAOYSA-N
-rxn:5:193972:226395:228890,Cc1cc(-c2cncc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,OOFNHEZLBIATIK-UHFFFAOYSA-N
-rxn:5:193972:227403:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)s3)cc2C)cc(C#N)n1,OKHYCAMVGGUKOV-UHFFFAOYSA-N
-rxn:5:193972:227656:222420,Cc1cc(-c2cc(N3CCOCC3)cs2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,HBOKXNSSQACSDP-UHFFFAOYSA-N
-rxn:5:193972:228271:227387,COc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,NLFYBEMWTHEXMZ-UHFFFAOYSA-N
-rxn:5:193972:228519:226366,Cc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,FUARWIZJCRQCND-UHFFFAOYSA-N
-rxn:5:193972:228524:226679,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,QIOPGKNJFDCRBZ-UHFFFAOYSA-N
-rxn:5:193972:228588:226172,CC#Cc1cc(-c2cc(C)c(-c3cc(N4CCCC4)ccc3C)cc2S(=O)(=O)N2CCCCCC2)ccn1,KCAHBJCJACAZPV-UHFFFAOYSA-N
-rxn:5:193972:228637:226364,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1F,YZDPKLZBGUQVDA-UHFFFAOYSA-N
-rxn:5:193972:228709:227403,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)s3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,XRPKWTDPTHRHAI-UHFFFAOYSA-N
-rxn:5:193972:228719:226364,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,KRGOHVDZHMDIRN-UHFFFAOYSA-N
-rxn:5:193972:228722:227403,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,VVWZKEWNMHWVIB-UHFFFAOYSA-N
-rxn:5:193972:228977:225849,Cc1cc(-c2ccc3c(c2)CC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,JLKVHKGPSLCSFF-UHFFFAOYSA-N
-rxn:5:193972:228984:225633,Cc1ccc(C)c(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,BEYGRVMNVBABFU-UHFFFAOYSA-N
-rxn:5:193972:228985:225633,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,MDLDTVKDGDGHOL-UHFFFAOYSA-N
-rxn:5:193972:228987:225655,Cc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,WYUUSXCEJIPFQW-UHFFFAOYSA-N
-rxn:5:193972:229023:225631,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,CBNCOEHFIZQOLN-UHFFFAOYSA-N
-rxn:5:193972:229029:225634,Cc1cc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,PJZBYPCMBMJRLA-UHFFFAOYSA-N
-rxn:5:193972:229037:225634,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,JFQJLYMCQSHKHO-UHFFFAOYSA-N
-rxn:5:193972:229057:226412,Cc1cc(-c2cnn(C3CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,DISHUEWHGOXCBM-UHFFFAOYSA-N
-rxn:5:193972:229060:225634,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,RZYMLDAJFWAFAD-UHFFFAOYSA-N
-rxn:5:194058:223054:222980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCC(O)C1,AMCNKIGFYBTJGC-UHFFFAOYSA-M
-rxn:5:194058:223054:225576,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCC(O)C1,HELGKUAJYSGBGL-UHFFFAOYSA-M
-rxn:5:194058:223054:225655,CC1CCN(c2cncc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)CC1,BRSVJRPNUUXQGR-UHFFFAOYSA-M
-rxn:5:194058:225978:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCC(O)C1,DOADXLOJITXWKT-UHFFFAOYSA-M
-rxn:5:194058:226330:223054,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCCC1,OQCBQOYRHZLHNJ-UHFFFAOYSA-M
-rxn:5:194398:223002:227027,N#CC1(c2ccccc2-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2C(=O)N2CC3CC3C2)CC1,HASZSCVSLQLHGJ-UHFFFAOYSA-N
-rxn:5:194509:225942:225588,CC(C)c1ncc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(-c3ccccc3CN3CCSCC3)c2)cc1C(F)(F)F,ZEMXGLNGLXMVHN-UHFFFAOYSA-N
-rxn:5:194733:225808:228321,COC(=O)c1cncc(-c2ccc(-c3cc(OC4CCCC4)ncc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,YGCRQOGMNXOICL-UHFFFAOYSA-N
-rxn:5:194767:223065:227020,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cncc(C#CC4CC4)c3)C2)c2ccccc21,KNNIWEXUAMHLSF-UHFFFAOYSA-N
-rxn:5:194767:225976:227316,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,CMKSZZIYPNMQSR-UHFFFAOYSA-N
-rxn:5:194767:226679:223064,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3ccc(C4CCNCC4)nc3F)C2)c2ccccc21,ANHGVHIQTNMVJD-UHFFFAOYSA-N
-rxn:5:194791:227281:229212,Cc1ccncc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cc(C#N)nc(C(C)C)c4)C(=O)C23)cc1,OJFONMDROWRKRO-UHFFFAOYSA-N
-rxn:5:194792:228923:225589,CSc1ccnc(F)c1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(CN6CCSCC6)cc5)cc4)C(=O)C23)cc1,CNLKECGRSPESSG-UHFFFAOYSA-N
-rxn:5:194792:229126:226324,Cc1cc(F)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccnc6OC6CCCC6)cc5)C(=O)C34)cc2)cn1,MURKJRUBZBRVHT-UHFFFAOYSA-N
-rxn:5:196794:225655:226583,CC1CCN(c2cncc(-c3ccc(-c4ccc(CN5CCOCC5)s4)c(N4CCOCC4=O)c3)c2)CC1,UNSQDUBWOGVWTK-UHFFFAOYSA-N
-rxn:5:196795:225802:223018,CC1(C)Oc2ccc(-c3ccc(N4CCOCC4=O)cc3-c3ccc(OC4CCCC4)nc3F)cc2NC1=O,FPGHNAGKWKBUAC-UHFFFAOYSA-N
-rxn:5:196859:222956:226686,Cc1ccc(-c2c(C3CCOCC3)ccnc2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,QIHRTZDSJJGFPU-UHFFFAOYSA-N
-rxn:5:196859:226686:222960,Cc1cc(-c2nccc(C3CCOCC3)c2-c2c(C)cnn2C2CCCCO2)cc(C2CCNCC2)c1,ZZPSUCVQMUHPEY-UHFFFAOYSA-N
-rxn:5:196871:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCNC2)cc1N1CCOCC1,UCFNHONMRDWUOW-UHFFFAOYSA-N
-rxn:5:196873:223061:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,ZBZZFXHWCPFFHS-UHFFFAOYSA-N
-rxn:5:196873:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1cnn(C2CCCCO2)c1,DJDPLIGWFDTSLX-UHFFFAOYSA-N
-rxn:5:196917:225834:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,FPTMTVJKXNKULQ-UHFFFAOYSA-N
-rxn:5:196918:225924:226366,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cccc(N2CCCCC2=O)c1-c1ccnc(N2CCCCC2)c1,DCJQLXXNBRTHOU-UHFFFAOYSA-N
-rxn:5:196918:225925:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(N2CCCCC2=O)c1-c1ccnc(N2CCCCC2)c1,PGCKYIRVXSNHKD-UHFFFAOYSA-N
-rxn:5:196919:226748:226424,COc1cc(C(F)(F)F)ccc1-c1ccc(C2=NC(C)(C)CO2)c(-c2cc(N3CCCC(C)C3)cs2)c1,COWXUEFNWFHSGK-UHFFFAOYSA-N
-rxn:5:196922:225924:226366,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,RBHGYQYUPHWLQD-UHFFFAOYSA-N
-rxn:5:196922:225925:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,RHXGJIFQLYNCKD-UHFFFAOYSA-N
-rxn:5:196969:225832:227386,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cnn(C2CCCCC2)c1,XGSXDBGUGUBHSQ-UHFFFAOYSA-N
-rxn:5:196969:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccncc1C1CCCCC1,COXVZZABHWFVIG-UHFFFAOYSA-N
-rxn:5:196969:226686:225653,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCCCC2C)nc1,FQNUUSYBWXWUCO-UHFFFAOYSA-N
-rxn:5:196970:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCCCC2)cc1,MLHGWELUEAOTQQ-UHFFFAOYSA-N
-rxn:5:196978:226686:222987,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)c(-c2ccc(C3CCNCC3)nc2C)c1,SHSRFTSMJYMLPP-UHFFFAOYSA-N
-rxn:5:197876:223113:223309,CC(C)Nc1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VOGQQZWJCDVOCP-UHFFFAOYSA-N
-rxn:5:197876:223113:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,LALHYASYGCEBAM-UHFFFAOYSA-N
-rxn:5:197876:223138:228473,CC(C)(C)N1C(=O)c2cc(-c3cc([N+](=O)[O-])ccc3F)c(-c3ccnc(C4CCNCC4)c3)cc2S1(=O)=O,GDGJAXNLFAXWEL-UHFFFAOYSA-N
-rxn:5:197876:225602:228582,CC(C)c1ccncc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BJJDAPXSDQLEIV-UHFFFAOYSA-N
-rxn:5:197876:225674:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2cnc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OZUIKTJUSVGYSD-UHFFFAOYSA-N
-rxn:5:197876:226438:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cnc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YEOUFTULZSESRY-UHFFFAOYSA-N
-rxn:5:197876:227048:227044,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(=O)C4CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,UNWBXMURWVDAEJ-UHFFFAOYSA-N
-rxn:5:197876:227076:223271,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(F)c(NC(C)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XXCGZPVFKQEJIR-UHFFFAOYSA-N
-rxn:5:197884:225453:225823,Cc1ccc(N2C(=O)c3ccc(-c4cc(C(C)C)cc(C(F)(F)F)c4)cc3C2=O)cc1-c1cccc(SC2CCCCC2)c1,ROGPWZYSPKUHDJ-UHFFFAOYSA-N
-rxn:5:227906:178295:223271,CCC(C)c1ncccc1-c1ccc(-c2ccc(F)c(NC(C)=O)c2)cc1C1(C(=O)OC)CCC(=O)CC1,ZAGGEMBFLWBBHG-UHFFFAOYSA-N
-rxn:5:227913:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccc(OC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,YENJKPLKKKGKCD-UHFFFAOYSA-N
-rxn:5:227915:178295:226920,CCOc1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,YXPCBGUAYMARNE-UHFFFAOYSA-N
-rxn:5:227920:178295:226085,CCC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,YNEOBRJBZIEYLQ-UHFFFAOYSA-N
-rxn:5:227922:178295:226064,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,ITPYBHIWOSFZQY-UHFFFAOYSA-N
-rxn:5:227933:178295:226579,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,WPURSNVPRRTUPD-UHFFFAOYSA-N
-rxn:5:227935:178295:226153,CCc1cc(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,XZURHFDBJLCKJQ-UHFFFAOYSA-N
-rxn:5:227935:178295:226974,CCc1cc(-c2ccc(-c3ccc4c(c3)COC4(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,AKQYGOMJZSYQIJ-UHFFFAOYSA-N
-rxn:5:227937:178295:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2cccc(SC(C)C)c2)CCC(=O)CC1,ULDNHQLHCDZIHQ-UHFFFAOYSA-N
-rxn:5:227939:178295:226589,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,WBLGFCAYANZGIT-UHFFFAOYSA-N
-rxn:5:227941:178295:227301,COCc1cc(C)cc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AJYAFRLJJNKXCU-UHFFFAOYSA-N
-rxn:5:227955:178295:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C)cnc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RLYDQSJVKUGESS-UHFFFAOYSA-N
-rxn:5:227957:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccc(C(C)C)nc2C)CCC(=O)CC1,POWWTMYOVZBYSY-UHFFFAOYSA-N
-rxn:5:227970:178295:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,GRXWLCRVUCUGJH-UHFFFAOYSA-N
-rxn:5:227970:178295:227059,COC(=O)C1(c2cc(-c3ccc(OC)c(C(C)C)c3)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,GAGWKVNDLSANLT-UHFFFAOYSA-N
-rxn:5:227977:178295:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2cc(C)c(OC)cc2C)CCC(=O)CC1,GSROGZOGTDOIRV-UHFFFAOYSA-N
-rxn:5:227978:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C(C)C)ccc2F)CCC(=O)CC1,WDHXCFSNQGGCME-UHFFFAOYSA-N
-rxn:4:173433:224420,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,GPCGJQNEHKLUTN-UHFFFAOYSA-N
-rxn:4:173508:222742,COc1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)ccc1OCCOC1CCCCO1,YFDBZJIQHKFSFZ-UHFFFAOYSA-N
-rxn:4:173568:223482,CCOc1ccccc1-c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OCc2ccccc2)c1,WSGQLYAZBFUWSP-UHFFFAOYSA-N
-rxn:4:173593:223772,COc1ccc2cc(-c3ccc(COC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)n(C(=O)OC(C)(C)C)c2c1,SKJBMIAOAKRFOF-UHFFFAOYSA-N
-rxn:4:173596:222866,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(NC(=O)OC(C)(C)C)c1,SZZINDCPRVEYDT-UHFFFAOYSA-N
-rxn:4:173596:222978,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(=O)NC2CCC2)cc1,CXJQVVLZGDLBRK-UHFFFAOYSA-N
-rxn:4:173600:224425,CCCC1CCC(c2ccccc2-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)CC)CC1,AWRHQRVGKORIBS-UHFFFAOYSA-N
-rxn:4:173611:225128,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C4(C(=O)OC)CC4)ccc3F)cc1)C2=O,VYRJKXVKHGXHKU-UHFFFAOYSA-N
-rxn:4:173636:225570,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc(C(=O)OC)ccc3C3CC3)ccc1OC)C2=O,IERRYVJBINUOFT-UHFFFAOYSA-N
-rxn:4:173650:223093,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cncc(NS(=O)(=O)C(C)C)c3)c1)C2=O,ZLKMNUXHGUOUMB-UHFFFAOYSA-N
-rxn:4:173658:223866,COc1cc(C(=O)Oc2ccc3ccccc3c2-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc(OC)c1OC,WBEQGWHDBVKFAN-UHFFFAOYSA-N
-rxn:4:173763:222610,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)cc1,GKEMSWZXCBONCT-UHFFFAOYSA-N
-rxn:4:173763:223505,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,OECHPUMIDFGUSS-UHFFFAOYSA-N
-rxn:4:173763:223533,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,HVIZIQPXVMXXKN-UHFFFAOYSA-N
-rxn:4:173763:223557,COC(=O)C(=O)CC(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,NFPGKSXEININQO-UHFFFAOYSA-N
-rxn:4:173763:223559,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ISUTYFSLGGYNPK-UHFFFAOYSA-N
-rxn:4:173763:223669,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,NJDSINSBJZBIAZ-UHFFFAOYSA-N
-rxn:4:173763:223755,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1,SVBTVCOJTXRATL-UHFFFAOYSA-N
-rxn:4:173763:223835,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1,ULQKJPHIXVSALI-UHFFFAOYSA-N
-rxn:4:173763:223892,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1,WKKGENBLKJCTMV-UHFFFAOYSA-N
-rxn:4:173803:225907,CCCc1ncc(-c2cc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F,RLQDHMMVQDHQKM-UHFFFAOYSA-N
-rxn:4:173805:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cc(OCC(F)(F)C(F)(F)F)ccc3C(F)(F)F)c2)CC1,ZRNDTWJRVLDQHV-UHFFFAOYSA-N
-rxn:4:173811:226844,O=C(c1cc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)ccn1)C(F)(F)F,WPJLMWSMBKKSIP-UHFFFAOYSA-N
-rxn:4:173909:222545,COC(=O)COc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1C(C)=O,MPPCXVVDJPTSCT-UHFFFAOYSA-N
-rxn:4:174302:224101,CCOC(=O)C(C)(C)c1ccc(-c2cccc(OCCN3CCC(C)CC3)c2)cc1OC,VKYHFHICTJDWNQ-UHFFFAOYSA-N
-rxn:4:174304:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(OC(C)(C)C(=O)OC(C)C)cc2)cc1,NACFVMIIASQARO-UHFFFAOYSA-N
-rxn:4:174406:223885,COC(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC(OC)(OC)C1,FOLXPSUVAIWZID-UHFFFAOYSA-N
-rxn:4:174406:225056,COC(=O)C1(c2ccc(-c3ccc(N4CCCC(C)C4)cc3F)cc2)CC(OC)(OC)C1,FJJIKCYLDOCOPD-UHFFFAOYSA-N
-rxn:4:174407:223847,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CC(OC)(OC)C4)c3)cc2)CC1,FXZBGMJHFKHFHI-UHFFFAOYSA-N
-rxn:4:174407:224916,COC(=O)C1(c2cccc(-c3ccc(N4CCCC(C)C4)cc3C)c2)CC(OC)(OC)C1,QIEPYBXPMXXMFJ-UHFFFAOYSA-N
-rxn:4:174407:224917,COC(=O)C1(c2cccc(-c3ccc(N4CCC(C)CC4)cc3C)c2)CC(OC)(OC)C1,AIDSZAFLZSFTNG-UHFFFAOYSA-N
-rxn:4:174418:223841,COC(=O)c1cc(OCC2CCOCC2)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)c1,BVXYGUCXQKBUGK-UHFFFAOYSA-N
-rxn:4:174490:225010,CC1(C)COC(CCCC(=O)c2cccc(-c3ccc(F)c(CN4CCCCC4)c3)c2)OC1,KBZUPLDMAPMKAN-UHFFFAOYSA-N
-rxn:4:174498:223872,CCN(C(=O)c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OC)c3F)c2)c1)C1CCCCC1,OWUIABRAOOVLNQ-UHFFFAOYSA-N
-rxn:4:174528:222637,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,DBCKNTAEQQPGOR-UHFFFAOYSA-N
-rxn:4:174566:223840,COC(=O)C12CC(COc3ccc(C)cc3-c3ccc(OC)c(S(=O)(=O)N4CCN(C)CC4)c3)(C1)C2,SVJKCAVILOQEQR-UHFFFAOYSA-N
-rxn:4:174602:224842,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc1OC)C2=O,XEIGJMFJJPIURC-UHFFFAOYSA-N
-rxn:4:174655:222623,CCCCCOc1cc2c(cc1-c1cc(C(C)CC)nc(C3CCNCC3)c1)C(C)(C)CCC2(C)C,QGLMDNCURWISDJ-UHFFFAOYSA-N
-rxn:4:174671:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(OC(F)F)ccc1OC(F)(F)F,YLPBUPCINNGVIB-UHFFFAOYSA-N
-rxn:4:174688:224683,O=C(c1cc(F)cc(-c2ccc(OC(F)(F)F)c(C(=O)C(F)(F)F)c2)c1)N1CCCCC1,HUBIDDIXFKLWET-UHFFFAOYSA-N
-rxn:4:174705:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(SCCC(F)(F)F)c3)cn2)CC1,FRQMRWYZCYVKFT-UHFFFAOYSA-N
-rxn:4:174951:223489,CCCCSc1ccccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,ZMHULABBOSBUOE-UHFFFAOYSA-N
-rxn:4:174981:223559,COC(=O)C(C)Oc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,VPOAINPHZBTJPQ-UHFFFAOYSA-N
-rxn:4:175076:223697,CCOCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1C(F)(F)F,SSJQYPQOCRDPAO-UHFFFAOYSA-N
-rxn:4:175089:224101,CC1CCN(CCOc2cccc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)c2)CC1,WQVCTQXARZILQN-UHFFFAOYSA-N
-rxn:4:175094:223892,Cc1cc(OCC(F)(F)C(F)(F)F)cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,OWDSCSUQLXPDDX-UHFFFAOYSA-N
-rxn:4:175181:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)CC(=O)C4CC4)cc3)c2)C1,KYVVMWTXWKPTHU-UHFFFAOYSA-N
-rxn:4:175816:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC4CCCC4)cc(C(=O)OC)c3)c(F)c2)CC1,VVRXATBPCKFRMW-MXVIHJGJSA-N
-rxn:4:175868:223866,CC(C)OC(=O)c1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc(C(C)C)c1,SWIGJPCCOGPRMP-UHFFFAOYSA-N
-rxn:4:175957:223497,CCc1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1-c1ccc(C(=O)OC)cc1,BRFLRNBPCHFDCO-UHFFFAOYSA-N
-rxn:4:176018:224633,COc1cc(-c2cc(CN3CCOCC3)ccc2OC)c(F)cc1OCC1CCCCC1,BWHHAOJEGIACTI-UHFFFAOYSA-N
-rxn:4:176043:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)CCc4cc(C)cc(C)c4)cc3)cc21,QCKDUVRHHHQSEJ-UHFFFAOYSA-N
-rxn:4:176307:224420,Cc1cc2c(cc1-c1cccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c1)C(C)(C)CCC2(C)C,OOKVAWRYWYPBAA-UHFFFAOYSA-N
-rxn:4:176322:224135,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(-c3ccc(C(=O)OC)cc3)cc2)C(C)(C)CC1(CC)CC,OSEREGBWHYKKLW-UHFFFAOYSA-N
-rxn:4:176488:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)CC(F)(F)F)cc4)c3C(=O)C1C2(C)C,OCBCIQFOYYRYTH-UHFFFAOYSA-N
-rxn:4:177686:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)cc2)CC1,IYVSNMXVHACWGH-UHFFFAOYSA-N
-rxn:4:177948:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3-c3cccc(C(F)(F)F)c3)cc2)C1,QBQILGUIISQFIK-UHFFFAOYSA-N
-rxn:4:178295:222843,COC(=O)C1(c2cc(Cl)ccc2-c2ccc(C)cc2C(=O)NC(C)(C)C)CCC(=O)CC1,NHVAOLKERNKGPX-UHFFFAOYSA-N
-rxn:4:178321:223973,Cc1ccc(OCC2COC(C)(C)O2)cc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,GCVQHMWEWOYWTO-UHFFFAOYSA-N
-rxn:4:178355:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3C(=O)c3ccc(C(C)(C)C)cc3)cc21,PCFLPQAAAPMYJQ-UHFFFAOYSA-N
-rxn:4:178372:223774,COc1cccc2c1cc(-c1ccc(CC3CC(C(C)(C)C)CCC3=O)cc1)n2C(=O)OC(C)(C)C,IVQBSQRPMSDJQC-UHFFFAOYSA-N
-rxn:4:178384:224704,CC1CCN(c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc(F)c2F)CC1,DBGPKRSXNJOSDB-UHFFFAOYSA-N
-rxn:4:178384:227266,CCOCc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KHODETOLRACYOB-UHFFFAOYSA-N
-rxn:4:178384:227937,CC(C)Sc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,KJFXTRXILLQBLW-UHFFFAOYSA-N
-rxn:4:178384:228167,CCOc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SBHUGAJMZFMIHZ-UHFFFAOYSA-N
-rxn:4:178597:227514,CC(C)Oc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(Cl)n1,VULFWLVRALIKCM-UHFFFAOYSA-N
-rxn:4:178597:227810,CCC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,BODMJZIKXCWGCS-UHFFFAOYSA-N
-rxn:4:178598:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc(C4OC5CCCCC5c5cc(OC)c(OC)cc54)c3)cc2)CC1,OVQYGNUNQOMGON-GUUTTYBOSA-N
-rxn:4:179493:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C(C)(F)F)c(C(F)(F)F)c3)c(F)cn2)CC1,UPQULSIJUMHMCF-UHFFFAOYSA-N
-rxn:4:179896:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C4OCCO4)c(C(F)(F)F)c3)c2)CC1,XYVKQQOPMWCGTO-UHFFFAOYSA-N
-rxn:4:180284:223822,CC1C(=O)CCC1Sc1ccccc1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C,FUMZGWSPAOXZKI-UHFFFAOYSA-N
-rxn:4:180792:224742,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4OCCO4)c(OC)cc3OC)cc1C2=O,JCZGGRWQTBODIS-UHFFFAOYSA-N
-rxn:4:180792:224967,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C(=O)OC)cc(C(C)(C)C)c3)cc1C2=O,GOSRJIMZBCKIDP-UHFFFAOYSA-N
-rxn:4:180792:225195,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(OC4CCCCO4)c3)cc1C2=O,YZNHBIVSQQYJHK-UHFFFAOYSA-N
-rxn:4:180815:222888,COc1ccc(-c2ccc(CN3CCNCC3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,JIWVDDVYXFLSTM-UHFFFAOYSA-N
-rxn:4:180855:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cnc21,YFUNVVCYMYBSIE-UHFFFAOYSA-N
-rxn:4:180855:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21,XALMOPNFYHPFJJ-UHFFFAOYSA-N
-rxn:4:180960:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(C(F)F)c3F)c(F)c2)CC1,SRPBTBJOHXEEND-UHFFFAOYSA-N
-rxn:4:182145:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc4c(c(C(F)(F)F)c3)C(=O)CO4)c2F)C1,ZXPDQSWWJOZBAE-UHFFFAOYSA-N
-rxn:4:182323:223712,COc1ccc(-c2c(OC)c(C)cc3c2C(=O)CCC3)cc1C12CC3CC(CC(C3)C1)C2,RMUILOOSAIHIRT-UHFFFAOYSA-N
-rxn:4:182347:224426,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2C1,VMSDOPDRZYRJMN-UHFFFAOYSA-N
-rxn:4:182354:223902,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)c2c1OC1(CCCC1)C2,AMDJPLQQNDHDTR-UHFFFAOYSA-N
-rxn:4:182359:223969,COC1CCC2(CC1)Oc1ccc(-c3cc(C(F)(F)F)ccc3N3CCC(C)CC3)cc1C2=O,KIJBMIGEIRZCCP-UHFFFAOYSA-N
-rxn:4:182372:223777,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc1C2=O,BZHIQEAEDCHADL-CNZDGBQKSA-N
-rxn:4:182376:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(C)c1,NVFFOTHJEJTZGE-FJBABUGYSA-N
-rxn:4:182416:223291,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1,WUKJICPTZICDKV-UHFFFAOYSA-N
-rxn:4:182416:223292,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1,SZEZLOSCSMMYKI-UHFFFAOYSA-N
-rxn:4:182416:224984,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cc(-n3cccn3)ccc2C2CC2)cc1,BMGITQKHCFLFOM-UHFFFAOYSA-N
-rxn:4:183271:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)s1,TZIXHEMAYOVBEY-UHFFFAOYSA-N
-rxn:4:183273:224656,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)c1OC1CCCC1,PMIUNJLHQKZXQO-UHFFFAOYSA-N
-rxn:4:183273:226656,Cc1ccc(-c2ncon2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NYINOIXZAPMTRG-UHFFFAOYSA-N
-rxn:4:183273:227188,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cccnc12,IJHGGRCZWJEBNY-UHFFFAOYSA-N
-rxn:4:183273:228897,COc1ncc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VPKRLCGOUAGGBR-UHFFFAOYSA-N
-rxn:4:183274:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,JWLOJBWCIJGZPV-UHFFFAOYSA-N
-rxn:4:183531:224976,CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2cccc(N3CCCCC3)c2C#N)c1,BZCGLKBOGHZGSH-UHFFFAOYSA-N
-rxn:4:183586:225852,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1cnc(C2CCCCC2)nc1Cl,CCNRISBWVLOOFN-UHFFFAOYSA-N
-rxn:4:183610:225173,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)N2CCCC2)cc1F)N1CCC1,BXRXHLAHRAUGKP-UHFFFAOYSA-N
-rxn:4:183617:223885,CCN(CC)C(=O)CSc1ccccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,RBHGJBBIEADSNZ-UHFFFAOYSA-N
-rxn:4:183688:222624,COCCOc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)ccc1C(=O)N1CCC1,HYHYDLQXGZFUQU-UHFFFAOYSA-N
-rxn:4:183723:222806,CCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc([N+](=O)[O-])c1,OPXDHVSCNYBGOQ-UHFFFAOYSA-N
-rxn:4:183730:222964,C#CCCC(=O)Nc1cccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)c1,UHFRMLUJFSTXIM-UHFFFAOYSA-N
-rxn:4:183732:226327,N#CC1(c2ccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCC(F)(F)C3)c(Cl)c2)CC1,DTKOYNNSGURNQV-UHFFFAOYSA-N
-rxn:4:183877:223825,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)C1,ZOTDSBQWAYAMDD-UHFFFAOYSA-N
-rxn:4:183880:225898,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2F)C1,DQEDBCLVPQHRMV-UHFFFAOYSA-N
-rxn:4:183894:222577,Cc1ccc(NC(=O)c2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)cc2)cc1Cl,FCHZWAVZZDNQHA-UHFFFAOYSA-N
-rxn:4:183912:222448,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)CC1,PLYUGFNKTZNODN-UHFFFAOYSA-N
-rxn:4:183915:227544,COC(=O)c1ccc(F)cc1-c1cc(OC(F)(F)F)ccc1OCCN1CCC(C)CC1,QOWOEWNKPDOSTN-UHFFFAOYSA-N
-rxn:4:183969:226242,CCCCOc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)c1,PFWBGPFSPFMOCD-UHFFFAOYSA-N
-rxn:4:183980:222935,CCOc1cc(C=C2N=C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)OC2=O)ccc1OC(C)=O,BEBUYIRSMLNFAT-UHFFFAOYSA-N
-rxn:4:183997:223858,COc1cc2c(cc1-c1c(Cl)cccc1CN(C(=O)OC(C)(C)C)C1CCCC1)-c1ccccc1C2(C)C,FANKNCSROAAFCB-UHFFFAOYSA-N
-rxn:4:184023:224276,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2)CC1,WNXCJWPXCCCPNQ-UHFFFAOYSA-N
-rxn:4:184027:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)c(Cl)c1,SLGRCLWHHVZHEY-UHFFFAOYSA-N
-rxn:4:184035:222805,O=C(c1ccc(-c2cc(F)c(F)c(N3CCC(O)CC3)c2)cc1)N1CCCC(COCc2ccccc2)C1,OCWPEVVRVIKUAT-UHFFFAOYSA-N
-rxn:4:184041:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(COCc3ccc(F)cc3)CC2)c1,YPIYUQWDVDRYHA-UHFFFAOYSA-N
-rxn:4:184046:225641,COc1cccc(C(=O)N(Cc2cccc(-c3ccnc(N4CCCC(C)C4)c3)c2)C2CCS(=O)(=O)C2)c1,HRMUEDWHRWUOIZ-UHFFFAOYSA-N
-rxn:4:184058:225359,COc1cc(-c2ccc(S(=O)(=O)N3CCCC(COCc4ccccc4)C3)cc2)c(C(F)(F)F)cc1OC,VAUQVJMZOZLBCN-UHFFFAOYSA-N
-rxn:4:184071:223279,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,APBJMPXLMMLOHA-UHFFFAOYSA-N
-rxn:4:184097:223279,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C2CCS(=O)(=O)C2)cc1,TWRDHZJEAUGKOX-UHFFFAOYSA-N
-rxn:4:184158:222468,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc1)C2=O,KHPFOZWNSYMKDY-UHFFFAOYSA-N
-rxn:4:184177:226023,CC(C)(C)OC(=O)N1CC(COc2cc(-c3ccc(Cl)c(OCC(F)F)c3F)c3ccccc3c2)C1,NCRAJKFUWQYZNW-UHFFFAOYSA-N
-rxn:4:184177:226428,CC1CCCCN1c1csc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)cc3ccccc23)c1,IZQRFAYWRHPWIG-UHFFFAOYSA-N
-rxn:4:184185:224842,CC(=O)Oc1c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,MIGVEUZIRDIURF-UHFFFAOYSA-N
-rxn:4:184222:226254,CCCOc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1OC,QPPRSNFOOOFLMB-UHFFFAOYSA-N
-rxn:4:184273:225061,CC1CCN(c2ccc(-c3cc(OC(C(F)(F)F)C(F)(F)F)ccc3C#N)c(F)c2)CC1,JEODQDZRCNSWSG-UHFFFAOYSA-N
-rxn:4:184574:223994,CCOC(=O)c1c(C#N)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1OC,GXYATHFPPGLLRX-UHFFFAOYSA-N
-rxn:4:184825:223482,CCN(CC)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1OC,FRAFWLFUGPTRSK-UHFFFAOYSA-N
-rxn:4:184828:223559,CCN(CC)c1ccc(C(=O)OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,XLLFEHQYGVARCM-UHFFFAOYSA-N
-rxn:4:184894:222480,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(F)c(C(=O)Nc4cccc(C)c4C)c3)c2)SC1=S,GFZSCUAEQQZCLJ-UHFFFAOYSA-N
-rxn:4:184894:222935,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c2)SC1=S,XWOKONWOCQMAIL-UHFFFAOYSA-N
-rxn:4:184897:223606,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,DBOBZYOKIUULEC-UHFFFAOYSA-N
-rxn:4:184976:223712,CCN(CC)CC1(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,IUUKSKVFEUDADG-UHFFFAOYSA-N
-rxn:4:185012:223606,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1,NFBBCHWLZGFSPF-UHFFFAOYSA-N
-rxn:4:185013:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,HVMRLJWCOKQHKR-UHFFFAOYSA-N
-rxn:4:185017:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(CN(C)CC2CCC2)c1,DJTLQCOYJIRQCX-UHFFFAOYSA-N
-rxn:4:185033:225320,Fc1c(-c2ccccc2OCC2CCCN(CC(F)F)C2)ccc(N2CCOCC2)c1F,KUIUAMDBLWECBT-UHFFFAOYSA-N
-rxn:4:185050:225519,CCOC(=O)CCc1ccc(-c2ccccc2OCC2CCCN(CC(F)(F)F)C2)cc1,SBIFDDIXSLIGQQ-UHFFFAOYSA-N
-rxn:4:185092:222826,COC1CCN(CCOc2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,IVIBQVNUYSHSQB-UHFFFAOYSA-N
-rxn:4:185144:224758,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cc2)CC1,FKGDUBWFZJKOCO-UHFFFAOYSA-N
-rxn:4:185145:224267,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cc2)C1,HUTLOYURQDIVCF-UHFFFAOYSA-N
-rxn:4:185145:225978,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2)C1,BVELPFYAWRKACM-UHFFFAOYSA-N
-rxn:4:185155:224285,COC(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1CN1CCC(C(F)(F)F)CC1,CDQGMPICCFVZCI-UHFFFAOYSA-N
-rxn:4:185162:224279,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)C1,HQUWZHBGLNMNOB-UHFFFAOYSA-N
-rxn:4:185199:224458,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)c1,BNPRRSNXSHVOFQ-UHFFFAOYSA-N
-rxn:4:185224:226292,COc1cc(-c2ccc(C(=O)OC(C)C)cc2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,DOKCDZOOFBXFHZ-UHFFFAOYSA-N
-rxn:4:185241:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cccc(CN3CCCCC3)c2OCC2CC2)c1,DHVIDAMOWDXVBE-UHFFFAOYSA-N
-rxn:4:185246:223107,COc1ncc(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)cc1NS(C)(=O)=O,HMIXYHLFMJVCII-UHFFFAOYSA-N
-rxn:4:185262:222921,CCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2C)c(OC)c1)C1CCCCC1,BTYQGBDWTGDRIP-UHFFFAOYSA-N
-rxn:4:185278:223695,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,MVRIBVVMLUSDIL-UHFFFAOYSA-N
-rxn:4:185298:225222,CCOc1ccc(C=C2SC(=S)N(c3ccc(-c4cc(N5CCCCC5C)ncc4F)cc3)C2=O)cc1OC,CZARVOSFFYRTII-UHFFFAOYSA-N
-rxn:4:185318:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,XOAZRTSAIXMKJM-UHFFFAOYSA-N
-rxn:4:185326:224824,CC(C)Oc1cccc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)c1CN1CCC(C(F)(F)F)CC1,ZFBKCJKCRURTRI-UHFFFAOYSA-N
-rxn:4:185333:222857,COc1cc(-c2ccc(N(C(=O)Cc3cccc(C)c3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)c1,TYNYUODYMHMGFO-UHFFFAOYSA-N
-rxn:4:185355:223883,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)CC1,PVASLBJSCMJYSZ-UHFFFAOYSA-N
-rxn:4:185375:222621,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)n1,QJESZFOQKFODDH-UHFFFAOYSA-N
-rxn:4:185375:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,ZEDRNMNYBISUFR-UHFFFAOYSA-N
-rxn:4:185379:227033,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(C4CC4)c(C#N)c3)c2)CC1,KYHJNMCCMGBVOB-UHFFFAOYSA-N
-rxn:4:185381:227528,COC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)cc1F,RCNXQQIGHORECE-UHFFFAOYSA-N
-rxn:4:185389:224760,Cc1ccc(C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)C2CCS(=O)(=O)C2)cc1,OWXNCCCEVLSHLW-UHFFFAOYSA-N
-rxn:4:185407:226062,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C(C)C)cc(C(C)C)c1,CQTDIASVSQTTKI-UHFFFAOYSA-N
-rxn:4:185407:226502,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccn(C(=O)OC(C)(C)C)c1,NAOZHEHFVGCFIF-UHFFFAOYSA-N
-rxn:4:185417:222906,CC(C)c1ccc(N(C(=O)c2ccc(-c3cnccc3NC(=O)OC(C)(C)C)cc2)C2C=CS(=O)(=O)C2)cc1,DMGCLUVLLZEZAC-UHFFFAOYSA-N
-rxn:4:185424:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,FGVJFWMAUPSSFM-UHFFFAOYSA-N
-rxn:4:185425:222935,COc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,IUVKIPKJQNPFDX-UHFFFAOYSA-N
-rxn:4:185426:225173,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1-c1ccc(C(=O)N2CCCC2)cc1F,XJYRGVNYBXDMAK-UHFFFAOYSA-N
-rxn:4:185428:224371,COC(=O)C1CCN(c2ncc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)cn2)CC1,GAJYNMZEGJPOPG-UHFFFAOYSA-N
-rxn:4:185428:224886,CC1CCN(Cc2ccc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)cc2)CC1,YRTQTZLFDGCFLZ-UHFFFAOYSA-N
-rxn:4:185428:226528,CCOC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(Cl)c1,LUFHCGFJRRRFJJ-UHFFFAOYSA-N
-rxn:4:185429:224746,CC(=O)N1CCN(c2ccc(-c3ccc(COc4cc(C)c(CN5CCOCC5)cc4C)cc3)cn2)CC1,IIZKFZZPMXRQCD-UHFFFAOYSA-N
-rxn:4:185435:222698,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cc2)C2C=CS(=O)(=O)C2)cc1,RCUSXMNWBWBDNC-UHFFFAOYSA-N
-rxn:4:185435:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)cc1,KYSVNAAJLJRCHQ-UHFFFAOYSA-N
-rxn:4:185453:222795,O=C(Nc1ccc(-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)cc1)N1CCOCC1,COSDHXMLDNWOQK-UHFFFAOYSA-N
-rxn:4:185491:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc3cc(C(=O)C(C)C=NOC)ccc23)c1,CWVIMSFLIPJCCJ-UHFFFAOYSA-N
-rxn:4:185534:223191,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1F,FZDRWTZPFMPFFW-UHFFFAOYSA-N
-rxn:4:185567:226120,CCCOc1cc(C)c(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c(C)c1,HAQHLOKZFMKUTM-UHFFFAOYSA-N
-rxn:4:185610:224746,COc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)c3ccccc3S2(=O)=O)cc1OC,CCVGEQQMDIVQBQ-UHFFFAOYSA-N
-rxn:4:185645:224617,O=C(C1CCCCC1)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1,MGVYMWLMAVMXDG-UHFFFAOYSA-N
-rxn:4:185731:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cnc1OC(F)F,AWLILCHVDAYADU-UHFFFAOYSA-N
-rxn:4:186089:223541,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OCC1CC1,ZAYRQEHPLDNKPG-UHFFFAOYSA-N
-rxn:4:186441:223689,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)cnc1OC(C)C,NAVGZUOMXGBQLG-UHFFFAOYSA-N
-rxn:4:186477:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cc(F)c(OCC4CCC4)c([N+](=O)[O-])c3)cc2C1,QLZNYEWJROXJSO-UHFFFAOYSA-N
-rxn:4:186742:225113,CC(C)(C)OOC(=O)c1cccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCCC3)c2)c1,MSQUARGWVHWPKJ-UHFFFAOYSA-N
-rxn:4:186786:224195,CCN1CCN(Cc2cc(-c3cccc(OCC4(C#N)CCOCC4)c3)ccc2Cl)CC1,UKJIRPBQIMCOHG-UHFFFAOYSA-N
-rxn:4:187000:224885,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccccc3CN3CCC(C)CC3)cc2)C1,HAHJLHAWKMBQIF-UHFFFAOYSA-N
-rxn:4:187074:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)OC)c(CN4CCOCC4)c3)ccc2OC)CC1,NVHVPEDGGRCXAW-UHFFFAOYSA-N
-rxn:4:187087:225325,CCOC(=O)c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(F)(F)C2)cc([N+](=O)[O-])c1,IGAPGOXBOUKXDF-UHFFFAOYSA-N
-rxn:4:187123:222846,CCOc1cc(-c2cc(C3CCCNC3)ccc2C#N)ccc1S(=O)(=O)N1CCOCC1,VWEMOQMDSCPYDX-UHFFFAOYSA-N
-rxn:4:187146:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,VOXGPOJBACAJHB-UHFFFAOYSA-N
-rxn:4:187197:224320,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1CN1CCCCC1,GYFSMKSAKISSOI-UHFFFAOYSA-N
-rxn:4:187252:224459,CC(C)(C)c1cc(-c2ccc(F)c(CCN3CCC(C(F)(F)F)CC3)c2)ccc1N1CCCC1,VBMLLVZJOMLQMP-UHFFFAOYSA-N
-rxn:4:187276:224205,O=S(=O)(c1cc(-c2cc(F)cc(F)c2OCc2ccccc2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,ZBCDWHPQANGOEQ-UHFFFAOYSA-N
-rxn:4:187292:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCCC2CCN(C)CC2)cc1,FICFRQKBDWGDMQ-UHFFFAOYSA-N
-rxn:4:187338:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)c4ccc(CN5CC=CC5)cc4)cc3F)cn2)CC1,QGCDCANZPPMJPK-UHFFFAOYSA-N
-rxn:4:187461:223568,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)cc1,CZJYKTCLABJRQN-UHFFFAOYSA-N
-rxn:4:187501:225311,CC(C)Oc1cccc(-c2cc(C(F)(F)F)c(C3CC3)cc2Cl)c1CN1CCCC(F)(F)C1,YCCLWLYPXYDSIJ-UHFFFAOYSA-N
-rxn:4:187505:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)c(Cl)c3)cc2)CC1,HGQJYPKWUNVHAG-UHFFFAOYSA-N
-rxn:4:187524:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)c4ccc(CN5CCSCC5)cc4)cc3F)c2)CC1,IGCSWIYKCAOVHJ-UHFFFAOYSA-N
-rxn:4:187586:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,AELVLJQFCWLXTO-UHFFFAOYSA-N
-rxn:4:187598:222723,O=C(c1ccccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,ZRQIBAJAMKSCHM-UHFFFAOYSA-N
-rxn:4:187640:224492,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc(=O)o1,QEZBWZWGFWTCLC-UHFFFAOYSA-N
-rxn:4:187648:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1,LXEKFYXQSBYKMO-UHFFFAOYSA-N
-rxn:4:187648:223737,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)cc2)C1=O,TZCMWRQHQOPGPJ-UHFFFAOYSA-N
-rxn:4:187669:226353,COc1cc(C2CC2)cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1Cl,YQKMCFOWYGXEKV-UHFFFAOYSA-N
-rxn:4:187681:228016,Cc1cc(-c2cc(C3CCCC3)cs2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,ZNTMIUXHQWUSLF-UHFFFAOYSA-N
-rxn:4:187686:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c2)cc1,WYXZGPGCABMMHC-UHFFFAOYSA-N
-rxn:4:187686:224746,CC(=O)N1CCN(c2ccc(-c3cccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c3)cn2)CC1,FSLFDTDUFSRAGX-UHFFFAOYSA-N
-rxn:4:187809:224683,CCCCCN1C(=O)C(=O)c2cc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc(C)c21,WQKYDTBWMFEHPI-UHFFFAOYSA-N
-rxn:4:187810:223952,COC(=O)c1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc2c1CCN2CC1CC1,JZFBEKTXCQDMOZ-UHFFFAOYSA-N
-rxn:4:187824:222545,COc1ccc2c(c1)c(-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)cn2C(=O)OC(C)(C)C,QTMNXIMHADLMKU-UHFFFAOYSA-N
-rxn:4:187853:223923,Cc1ccc(OCCN2C(=O)C(=O)c3cc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)ccc32)cc1,MTKWNVXYBGWSKY-UHFFFAOYSA-N
-rxn:4:187879:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)c1,SYTLLOQCVBKGTA-UHFFFAOYSA-N
-rxn:4:187911:222841,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(C(=O)NC2CCCC2)cc1,NGOKSFQDKPALNZ-UHFFFAOYSA-N
-rxn:4:187920:223695,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,LCZZEXUJXUFLAY-UHFFFAOYSA-N
-rxn:4:187925:223979,CCOc1cc(S(=O)(=O)N2c3ccccc3CC2C)ccc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,QEKCZUPPOBCBQX-UHFFFAOYSA-N
-rxn:4:187945:222868,COC(=O)C1=Cc2cc(-c3ccccc3NC(=O)OC(C)(C)C)ccc2N(CC(C)C)CCC1,ZSKDBEAHBHTJCE-UHFFFAOYSA-N
-rxn:4:187945:224039,COC(=O)C1=Cc2cc(-c3c(OCCC(C)C)ccc4ccccc34)ccc2N(CC(C)C)CCC1,JYJFSFYHPNSTNS-UHFFFAOYSA-N
-rxn:4:187945:224845,COC(=O)C1=Cc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc2N(CC(C)C)CCC1,ASPCQXYARIVKNP-UHFFFAOYSA-N
-rxn:4:187969:224162,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cccc21,BRKKENTWPAUUTP-UHFFFAOYSA-N
-rxn:4:187970:224160,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c2ccccc21,SXTDCJOGLGAUGU-UHFFFAOYSA-N
-rxn:4:188005:226511,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cc(Cl)cnc5OCC5CC5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CEKGEUSLMNYTRO-UHFFFAOYSA-N
-rxn:4:188681:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)CC1,MOFUAJHQGSOHCK-UHFFFAOYSA-N
-rxn:4:188681:223867,CC1CCN(CCCOc2cccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)c2)CC1,KTHNINCICORXDG-UHFFFAOYSA-N
-rxn:4:188681:223894,CN1CCN(CCCOc2cccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)c2)CC1,DTZILOWYQTXOGI-UHFFFAOYSA-N
-rxn:4:188979:223559,CC(=O)ON=C(C)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,DFQUHRPZDILQOH-UHFFFAOYSA-N
-rxn:4:189356:223503,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,PEPOKSRJIGCCRV-UHFFFAOYSA-N
-rxn:4:189356:223526,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,OXVAIKJOISYLOM-UHFFFAOYSA-N
-rxn:4:189356:223971,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(N2CCC(C)CC2)cc(C(F)(F)F)c1,YEOLVISJDAUMKV-UHFFFAOYSA-N
-rxn:4:189356:223976,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(OC2CCCC2)cc(OC(F)(F)F)c1,CAFSZZZTRXQUGP-UHFFFAOYSA-N
-rxn:4:189752:223601,COc1ccc(COc2ncc(-c3c(C(F)(F)F)ccc(F)c3C(=O)N3CCCC3)cc2C(F)(F)F)cc1,HJTADEYPNZGIPO-UHFFFAOYSA-N
-rxn:4:189866:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2)cc1,SOXSHPIXSHRDOZ-UHFFFAOYSA-N
-rxn:4:189867:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)ccc2C)CC1,YXDPZRCUIIVAHL-UHFFFAOYSA-N
-rxn:4:189898:223712,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1CN1CCCC1,TUJLUWKOAIISIT-UHFFFAOYSA-N
-rxn:4:189926:222621,CC(C)Cc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCCNC2)n1,VFDIEZRXXXSLQP-UHFFFAOYSA-N
-rxn:4:189926:222624,CC(C)Cc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCNCC2)n1,DSGBOCXSTULRDA-UHFFFAOYSA-N
-rxn:4:189932:224243,COc1cc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)ccc1C(=O)N1CCOCC1,SIAVDXBHXHJPBW-UHFFFAOYSA-N
-rxn:4:189944:222621,CC(C)Cc1cc(-c2cccc(CS(=O)(=O)N3CCOCC3)c2)cc(C2CCCNC2)n1,BUFZJPMNOFTIOB-UHFFFAOYSA-N
-rxn:4:189994:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C)c(/C=N/S(=O)C(C)(C)C)c1,KYRYRXRDRGPWAZ-YZSQISJMSA-N
-rxn:4:190025:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccccc1S(=O)(=O)CN1CCCCC1=O,OTCOUMDIWONNET-UHFFFAOYSA-N
-rxn:4:190078:224407,O=C(c1c(F)ccc(C(F)(F)F)c1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1)N1CCCCC1,VJCJCERPOONZLB-UHFFFAOYSA-N
-rxn:4:190120:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCCC3)cc2)CC1,UKSWOUUHUBQFAF-UHFFFAOYSA-N
-rxn:4:190123:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3(C(=O)N4CCCC4)CC3)cc2)c1,ASKCELDCZBRKFK-UHFFFAOYSA-N
-rxn:4:190161:225158,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1ccc(C(=O)N2CCSCC2)cc1,TXMUFNYNRJMTEQ-UHFFFAOYSA-N
-rxn:4:190162:223699,COc1c(Cl)cc(C(=O)N2CCC(F)(F)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,OWBCLLKZWYPFNT-UHFFFAOYSA-N
-rxn:4:190173:224627,CN(C)C1CN(C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c(F)cc3F)cc2)C1,UBWRLFHHDHEXID-UHFFFAOYSA-N
-rxn:4:190194:224061,CCCC1CCC(c2ccc(-c3cccc(CN4CCC(OC)CC4)c3Cl)c(F)c2)CC1,ZEQBJDBPIJJFSP-UHFFFAOYSA-N
-rxn:4:190228:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,TWSICEPJVNGNRM-UHFFFAOYSA-N
-rxn:4:190238:225742,CCCOc1cc(-c2cc(S(=O)(=O)N3CCC(OC)CC3)c(F)cc2F)cc(Cl)c1OC,FZRMWRITLZTFAB-UHFFFAOYSA-N
-rxn:4:190249:225003,COc1cc(N2CCCCC2)ccc1-c1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1,SNSQUHLSNTZVFR-UHFFFAOYSA-N
-rxn:4:190299:224746,COc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O,BJRIRURULJWDTD-UHFFFAOYSA-N
-rxn:4:190300:224746,COc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O,WYCLSZAASGXWCL-UHFFFAOYSA-N
-rxn:4:190315:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(CCN2CCC(C)CC2)ccc1F,KJVJPFPILSGMQA-UHFFFAOYSA-N
-rxn:4:190338:223712,COC(=O)c1cc(F)c(N2CCC(C)CC2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,QKEMGFCFDIFKIF-UHFFFAOYSA-N
-rxn:4:190377:222607,COc1ccc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,IAEVBWCMINVKKJ-UHFFFAOYSA-N
-rxn:4:190394:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(F)c(N3CCCC(C(=O)C(C)C)C3=O)c2)cc1,LYXUNTHNXQRDOA-UHFFFAOYSA-N
-rxn:4:190405:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C(=O)N4CCSC(c5ccccc5F)CC4)o3)ccc21,OLEIKRGISZIRBC-UHFFFAOYSA-N
-rxn:4:190410:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C2CCN(C(=O)C(C)C)CC2)cc1,JWUBSUIBKXMCNR-UHFFFAOYSA-N
-rxn:4:190446:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)cc2C)cc1,JKGRRAPZUZMSPS-UHFFFAOYSA-N
-rxn:4:190469:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)o3)c2)cc1,CBAGZUNDKJXFRQ-UHFFFAOYSA-N
-rxn:4:190475:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,YDTYMYKFVPYDFM-UHFFFAOYSA-N
-rxn:4:190475:224182,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1OCCN1CCOCC1,RYHCJEMPXYNDBL-UHFFFAOYSA-N
-rxn:4:190475:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,ZSPZSFQZQWUWEJ-UHFFFAOYSA-N
-rxn:4:190475:225516,CN(C)CCCOc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,VYQJEOSSROKKJM-UHFFFAOYSA-N
-rxn:4:190475:225768,COc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc(Cl)c1OC(C)C,NMMXDFIGQMOANC-UHFFFAOYSA-N
-rxn:4:190484:224420,Cc1cc2c(cc1-c1cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c1)C(C)(C)CCC2(C)C,MSNYPTHUZUFXQN-UHFFFAOYSA-N
-rxn:4:190493:222848,CCc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)n1,MZJBXJCZWFXHIL-UHFFFAOYSA-N
-rxn:4:190498:224796,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cncc(S(=O)(=O)OCC(C)(C)C)c1,YFNKCBIRNHOKRL-UHFFFAOYSA-N
-rxn:4:190571:223504,CCOC(=O)c1c[nH]c2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cccc12,HKQKLLRISZCHJD-UHFFFAOYSA-N
-rxn:4:190697:222610,CCCCN1C(=O)C(=O)c2cc(-c3cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c3)ccc21,DHOBOVPYCPRJRY-UHFFFAOYSA-N
-rxn:4:190772:223606,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,UYMBGDSGXMWMSI-UHFFFAOYSA-N
-rxn:4:190772:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)C1,BEWURJJKXGRLPO-UHFFFAOYSA-N
-rxn:4:190772:223814,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1,KBSDYAUERXMIER-UHFFFAOYSA-N
-rxn:4:190772:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cnc2C1,UPAFRKGXPHOGDP-UHFFFAOYSA-N
-rxn:4:190772:223952,CN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2Cl)CC1,VDIMQXOJNJXAKR-UHFFFAOYSA-N
-rxn:4:190897:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2C3CCC2CC(SC)C3)o1,FFEGBWUXKBTAIA-UHFFFAOYSA-N
-rxn:4:190897:224326,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)o1,YMMONRHAHVQUEA-UHFFFAOYSA-N
-rxn:4:190926:225375,CC(C)(C)OC(=O)N1CCC(=O)c2ccc(-c3ccc(OC(F)(F)C(F)(F)F)cc3)cc21,ABVHCFILPSSERW-UHFFFAOYSA-N
-rxn:4:190954:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,ZCDFQIZZFVHHSQ-UHFFFAOYSA-N
-rxn:4:190963:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(F)cc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,FVZVGAYXURPRCL-UHFFFAOYSA-N
-rxn:4:190963:224751,CC(C)(C)OC(=O)N1CCc2c(cc(F)cc2-c2ccc(F)c(C(=O)N3CCOCC3)c2)C1,ASISHOAPKKZQLV-UHFFFAOYSA-N
-rxn:4:190963:225270,CCCOc1ccc(-c2cc(F)cc3c2CCN(C(=O)OC(C)(C)C)C3)cc1C(F)(F)F,RTDSTOZRWNTCOF-UHFFFAOYSA-N
-rxn:4:190991:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)c1,GTRLRXSWFZIWQR-UHFFFAOYSA-N
-rxn:4:191032:224420,Cc1cc2c(cc1-c1cc3c(s1)C(C)(C)N(C(=O)OC(C)(C)C)CC3)C(C)(C)CCC2(C)C,HLIKJHNMCOFNIS-UHFFFAOYSA-N
-rxn:4:191041:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c3ccccc23)CC1,JSRJWFKNUYAWED-UHFFFAOYSA-N
-rxn:4:191041:226318,CN(C)c1cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)cc(C2CC2)n1,SRVGCSZUPZCHSS-UHFFFAOYSA-N
-rxn:4:191058:224917,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCC(C)CC5)cc4C)ccc32)CC1,MYEOVLGLLYEUTK-UHFFFAOYSA-N
-rxn:4:191058:225227,COC(=O)C1CCN(C2CCc3cc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)ccc32)CC1,NYCZJBWCTJFADH-UHFFFAOYSA-N
-rxn:4:191062:222890,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCCNC2)n1,PFGPILXHZSXELH-UHFFFAOYSA-N
-rxn:4:191073:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)cc1,XBXHZKAOTHUXFO-UHFFFAOYSA-N
-rxn:4:191087:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,IWQNXZSIJXZBFN-UHFFFAOYSA-N
-rxn:4:191089:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(C)C)cnc21,NDGLJPVUIVVXAM-UHFFFAOYSA-N
-rxn:4:191092:225408,CC(C)(C)OC(=O)N1Cc2cc(-c3cc4c5c(c3)CCCN5CCC4)ccc2CC1(C)C,HUCHNQDTJDAVLD-UHFFFAOYSA-N
-rxn:4:191097:226127,CCOc1ccc(C(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,XIQATOSXWOANTQ-UHFFFAOYSA-N
-rxn:4:191103:224842,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc32)CC1,PMGMDZVZNDGUMV-UHFFFAOYSA-N
-rxn:4:191103:227321,COc1c(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cncc1C1CC1,IODBXNLWDGSDFF-UHFFFAOYSA-N
-rxn:4:191105:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,HJEFJUIDYABYMZ-UHFFFAOYSA-N
-rxn:4:191105:226095,CCCCOc1cc(C)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,GIEAMJXNRLSFKP-UHFFFAOYSA-N
-rxn:4:191105:226844,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c32)CC1,PDVPLMVXTRZNBL-UHFFFAOYSA-N
-rxn:4:191108:223537,COc1ccc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,HJAJYZXMGZCCBA-UHFFFAOYSA-N
-rxn:4:191125:226061,CC(C)c1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,MRZRIXDGEAHPPU-UHFFFAOYSA-N
-rxn:4:191125:227574,COc1c(F)ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,KSYBIGARLAXDJW-UHFFFAOYSA-N
-rxn:4:191149:224941,CC(C)(C)OC(=O)N1C2CCC1c1c(-c3ccc(CCN4CCOCC4)cc3)cccc12,QSIMLQDSVMYJCE-UHFFFAOYSA-N
-rxn:4:191171:225264,COC(=O)c1ccc(-c2ccccc2C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1C(=O)OC,WUVHZPFMOVPEKX-UHFFFAOYSA-N
-rxn:4:191171:225367,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cnc(N5CCC(F)(F)CC5)nc4)cc1c32,AEBYUOSTYZDNIF-UHFFFAOYSA-N
-rxn:4:191172:223168,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cccnc5N5CCNCC5)cc4)cc1c32,AIEYWQLQCWMBFU-UHFFFAOYSA-N
-rxn:4:191173:225849,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cnc(N6CCCCC6)cc5F)c4)cc1c32,DHBVTCXKZPMFBL-UHFFFAOYSA-N
-rxn:4:191173:226149,COc1ccc(-c2cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c2)cc1C(C)(C)C,MPLBYONNBMDIAS-UHFFFAOYSA-N
-rxn:4:191195:229108,Cc1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cnc1Cl,OCFOQCBCFNPMGU-UHFFFAOYSA-N
-rxn:4:192730:223490,Cc1ccc(-c2cc(CN3CC(F)C3)ccc2Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QJZDWJZLJPGMLG-UHFFFAOYSA-N
-rxn:4:192730:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(CN2CC(F)C2)ccc1Cl,VMGAGJQAPXZPTP-UHFFFAOYSA-N
-rxn:4:192772:222514,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)NC1CCCCC1,MIIGKEJSLJMBIY-UHFFFAOYSA-N
-rxn:4:192772:222610,CSC1=NC(=Cc2ccc(-c3cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c3)cc2)C(=O)S1,UKXULXMVTLDMOQ-UHFFFAOYSA-N
-rxn:4:192772:223528,CSC1=NC(=Cc2ccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,RDJIBHUCZBUJGP-UHFFFAOYSA-N
-rxn:4:192772:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)c1,DUTPYZAIGBIJSD-UHFFFAOYSA-N
-rxn:4:192772:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,QGCPRFSRZFEMHG-UHFFFAOYSA-N
-rxn:4:192772:223867,CSC1=NC(=Cc2ccc(-c3cccc(OCCCN4CCC(C)CC4)c3)cc2)C(=O)S1,CDFGLNIDASPYTE-UHFFFAOYSA-N
-rxn:4:192772:223896,COc1cccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)c1C(=O)N(C(C)C)C(C)C,UPDXTDANWBTQAY-UHFFFAOYSA-N
-rxn:4:192824:223608,O=S(=O)(c1cc(-c2cc(C(F)(F)F)ccc2N2CC(F)(F)C2)ccc1OC(F)(F)F)N1CCOCC1,GWFFTMGOUISDCU-UHFFFAOYSA-N
-rxn:4:193131:222695,Cc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,GDPIDCKBDPZQQZ-UHFFFAOYSA-N
-rxn:4:193191:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,QMHVXCQWMDOHGV-UHFFFAOYSA-N
-rxn:4:193276:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(F)c(F)c2C(=O)N2CCSCC2)c1,VQSGNGUFINXDHV-UHFFFAOYSA-N
-rxn:4:193293:222656,O=C(NC1CCCCC1)c1ccc(-c2cc(N3CCCS3(=O)=O)cc(C(F)(F)F)c2)cc1F,LNQNXFSSENEMAY-UHFFFAOYSA-N
-rxn:4:193355:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c(F)c2)CC1,FAKIYGZQTHWGQR-HZCBDIJESA-N
-rxn:4:193405:223818,CC(C)(C)OC(=O)n1ccc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c(F)cc(F)c21,TVXWQARCCSVTJQ-UHFFFAOYSA-N
-rxn:4:193408:224573,CC1CCCCN1c1ccc(-c2cc(F)cc(F)c2S(=O)(=O)N2CCOCC2)c(C#N)c1,CPHHBQRNWQNTDF-UHFFFAOYSA-N
-rxn:4:193456:223712,COc1ccc(-c2cnc(C3CCOCC3)c(OC)c2)cc1C12CC3CC(CC(C3)C1)C2,FYMFBWDZADMPCV-UHFFFAOYSA-N
-rxn:4:193485:223712,COc1ccc(-c2cc(C)c(C(=O)N3CCCC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,KJGVLBRTIIXDHH-UHFFFAOYSA-N
-rxn:4:193499:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(S(=O)(=O)N4CCC(=O)CC4)c3)c2)CC1,IGALBPVJEWCWPD-UHFFFAOYSA-N
-rxn:4:193575:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)cc1,QPRGMZOTXBWYEP-UHFFFAOYSA-N
-rxn:4:193648:225111,COc1ccc(-c2cc(N3CCC(F)(F)CC3)cc(C(F)(F)F)c2)c(F)c1OCC(C)C,IHMZWIFOXOHBDF-UHFFFAOYSA-N
-rxn:4:193844:223785,CCN1CCN(CCOc2ccc(-c3cc(C)cc(S(=O)(=O)N4CCCCC4)c3)cc2Cl)CC1,QRSOCMLDFCGKMX-UHFFFAOYSA-N
-rxn:4:193850:223699,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(N2CCC(F)(F)CC2)c1,JFJXEPFULVEFII-UHFFFAOYSA-N
-rxn:4:193881:223669,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,YCCNBWKIMVICDQ-UHFFFAOYSA-N
-rxn:4:193909:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)CC1,HOKAVNHFTUDEKQ-UHFFFAOYSA-N
-rxn:4:193998:223785,CCN1CCN(CCOc2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCCCCC3)cc2Cl)CC1,NVQDBPIYJCCTGG-UHFFFAOYSA-N
-rxn:4:194331:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CC3CC2CS3)o1,AGFSRDPLWVSOLR-UHFFFAOYSA-N
-rxn:4:194421:222589,O=C(c1cccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1)N1CC2CC1CS2,ZGSSVIBUOQHYIM-UHFFFAOYSA-N
-rxn:4:194456:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)c2)CC1,IRFITNOHSGKJJF-UHFFFAOYSA-N
-rxn:4:194461:222708,COC(=O)C1(C)CCc2c(cncc2-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)C1=O,PGJCPTBORFMVOV-UHFFFAOYSA-N
-rxn:4:194506:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc4c3C(=O)C(=O)N4Cc3ccccc3)cc2)CC1,CWIXGDZBGIVBGV-UHFFFAOYSA-N
-rxn:4:194731:223814,COC1CCN(C2CCc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc32)CC1,ZHBVFVIZLPBWRQ-UHFFFAOYSA-N
-rxn:4:194733:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2)CC1,PYNDCSGZFXNDDW-UHFFFAOYSA-N
-rxn:4:194733:224746,CC(=O)N1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cn2)CC1,KVINEBWGLKBTSQ-UHFFFAOYSA-N
-rxn:4:194750:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,NKFWCIZZIDYCOG-UHFFFAOYSA-N
-rxn:4:194750:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,YOPHMEXLHGOAMQ-UHFFFAOYSA-N
-rxn:4:194750:226180,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCCC2)n1,MAIVGBFAHBQFJY-UHFFFAOYSA-N
-rxn:4:194750:226425,CC1CCCCN1c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)s1,SDXLAQVDIYHJSN-UHFFFAOYSA-N
-rxn:4:194768:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(c1)CCCC2N1CCC(OC)CC1,YNEACSQSIWXYOU-UHFFFAOYSA-N
-rxn:4:194768:224634,COc1ccc(-c2ccc3c(c2)CCCC3N2CCC(OC)CC2)cc1CN1CCOCC1,VLHKMXUSSAFSFM-UHFFFAOYSA-N
-rxn:4:194768:225172,COC1CCN(C2CCCc3cc(-c4cc(CN5CCOCC5)ccc4F)ccc32)CC1,XYXVEENXDFBBQX-UHFFFAOYSA-N
-rxn:4:194772:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2)CC1,JFUBTQJJXBBPIM-UHFFFAOYSA-N
-rxn:4:194783:222647,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)cc2)c2ccc(C)cc21,OVGIKWNEPXBWKA-UHFFFAOYSA-N
-rxn:4:194802:227757,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cc(Cl)cc(C(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,ZNPIDUBLADRILB-UHFFFAOYSA-N
-rxn:4:197011:224318,CC1C(=O)N(c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)C(=O)CS1=O,LQNSKNAQZGDSBJ-UHFFFAOYSA-N
-rxn:4:197965:224352,FC(F)(F)c1cc(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)ccc1C1CCCOC1,BHSGSUGAGFXAKJ-UHFFFAOYSA-N
-rxn:4:197983:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CCCC4N3CCOC(C)C3)cn2)CC1,FNCWBVQNOAAQIS-UHFFFAOYSA-N
-rxn:4:199539:225128,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3(C(=O)OC)CC3)ccc2F)cc1,URDJFWDTWZRKJC-UHFFFAOYSA-N
-rxn:4:199551:225828,N#CC1CCN(CCCOc2c(F)cccc2-c2cnc(N3CCCCCC3)nc2)CC1,KBXOLVYWOLZECV-UHFFFAOYSA-N
-rxn:4:199570:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc(OC[C@H]3CCN3C(=O)OC(C)(C)C)c2)c1,QWQJCJPIWYDWOS-BDPMCISCSA-N
-rxn:4:199570:225975,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2ccnc(N3CCOCC3)c2Cl)c1,LMJULTBWMGBQFA-QGZVFWFLSA-N
-rxn:4:199588:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c3)cn2)CC1,VQVGHBLTOKRZCB-UHFFFAOYSA-N
-rxn:4:199591:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)nc2)cc1,ZPXVNHUEJDHIIQ-UHFFFAOYSA-N
-rxn:4:199593:226123,COCc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(OC)CC2)cc1C1CC1,LFIPKQZSLDHRMY-UHFFFAOYSA-N
-rxn:4:199614:222698,O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cn2)C1,UNSXJALULUDQPU-UHFFFAOYSA-N
-rxn:4:199621:227502,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(OC(C)C)c(Cl)c2)CC1,BTGCYBCUMUKOTL-UHFFFAOYSA-N
-rxn:4:199625:223057,CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)cc2C#N)C1,XYBXUBKCZNCTDO-BDPMCISCSA-N
-rxn:4:199630:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)o2)cc1,HYWIBZUUFFGIRE-UHFFFAOYSA-N
-rxn:4:199654:225166,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc2OC)CC1,YHTIJOGJGNQPQN-UHFFFAOYSA-N
-rxn:4:199690:226374,CC(C)(C)OC(=O)N(Cc1cncc(-c2cncnc2C2CCCCC2)c1)C1CCCC1,IOWSGHPHZVHXJE-UHFFFAOYSA-N
-rxn:4:199692:228471,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)cc2C#N)CC1,CWRAYRLMROKMHP-UHFFFAOYSA-N
-rxn:4:199698:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,NYAGMSXLFGSEEW-UHFFFAOYSA-N
-rxn:4:199712:224377,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,JUHSMHRIFHDXTR-UHFFFAOYSA-N
-rxn:4:199719:223991,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)CC1,CAYJTNURYXPKDJ-UHFFFAOYSA-N
-rxn:4:199719:224237,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2ccccc2OCc2c(F)cccc2F)CC1,JGWAXABSLFYLJU-UHFFFAOYSA-N
-rxn:4:199757:226974,CN(Cc1ccc(-c2ccc3c(c2)COC3(C)C)cc1N1CCCC1)C(=O)OC(C)(C)C,ORTWVMMSPRLYPP-UHFFFAOYSA-N
-rxn:4:199760:223184,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2cnc(N3CCNCC3)nc2)CC1,CJDFPCYKNNLDHB-UHFFFAOYSA-N
-rxn:4:199760:223279,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,APEMZDNQXGCHLZ-UHFFFAOYSA-N
-rxn:4:199764:224162,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ISJDLDKCQAXSNB-UHFFFAOYSA-N
-rxn:4:199765:225776,CCCc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc(C(F)(F)F)c1,DLSJDFFLIHMEKN-UHFFFAOYSA-N
-rxn:4:199769:226421,COc1cc(Cl)c(-c2ccc(Cl)cc2N2CCCC2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QZZLIVARTQSZEM-UHFFFAOYSA-N
-rxn:4:199769:227033,COc1cc(Cl)c(-c2ccc(C3CC3)c(C#N)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JCWXRJOPGJTCFV-UHFFFAOYSA-N
-rxn:4:199812:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cn1,KVNLLPJRXOGEFT-UHFFFAOYSA-N
-rxn:4:199821:225761,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccc(CC(C)C)cc4[N+](=O)[O-])c3)C(=O)N2CC)cc1,PRFOZBFUGMNINC-UHFFFAOYSA-N
-rxn:4:199874:223609,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cc2)C1,OLWXGCOPDKYDNA-UHFFFAOYSA-N
-rxn:4:199875:224746,COc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,KLGWCUKFJLJPAJ-UHFFFAOYSA-N
-rxn:4:199876:225171,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1cc(F)cc(CN2CCOCC2)c1,QMKNCVSNLHNKHU-UHFFFAOYSA-N
-rxn:4:199882:223613,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(C(C)(C)C)c1,LPJKEYWNJIKISW-IZLXSDGUSA-N
-rxn:4:199889:224396,C#CCn1c(=NC(=O)CCCC)sc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)ccc21,CYKCVLSOOQTHHM-UHFFFAOYSA-N
-rxn:4:199889:224415,C#CCn1c(=NC(=O)CCCC)sc2cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)ccc21,IDFKYJGRJVOANX-UHFFFAOYSA-N
-rxn:4:199893:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)cc1,MBBYALZLECUHID-UHFFFAOYSA-N
-rxn:4:199908:224718,CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCOCC4)nc3)cc1)SCC2,XBVGYUKCXQJJNB-UHFFFAOYSA-N
-rxn:4:199937:224746,COCCn1c(=NC(=O)c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)s2)sc2cc(S(C)(=O)=O)ccc21,UVRVUBLVXXPGTG-UHFFFAOYSA-N
-rxn:4:199974:222720,O=C(c1c[nH]c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cc12)[C@H]1CCCN1C(=O)OCc1ccccc1,CVDAPFLVYIFZOJ-GDLZYMKVSA-N
-rxn:4:199999:222412,CNC(=O)Nc1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1,QMCMHUOLSSVPPZ-UHFFFAOYSA-N
-rxn:4:200013:225729,CCCCOc1ccc(F)c(-c2ccc(OC)c(C3C(C(=O)OC(C)C)=C(C)N=C4SC(CC)C(=O)N43)c2)c1F,QNPXWNKFNHQNLM-UHFFFAOYSA-N
-rxn:4:200048:222397,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NCCc5c[nH]cn5)cc4)cc3)[n+](C)c3ccccc32)C1,CYXLETVDRPKJDO-UHFFFAOYSA-O
-rxn:4:200048:222402,CCCNC(=O)Nc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,AUQSLWVHIDLTKK-UHFFFAOYSA-O
-rxn:4:200048:222415,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(F)c(S(N)(=O)=O)c4)cc3)[n+](C)c3ccccc32)C1,ZOODYSZVJAGFGJ-UHFFFAOYSA-N
-rxn:4:200048:222464,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)Nc5ccc(C(C)C)cc5)cc4)cc3)[n+](C)c3ccccc32)C1,MXJOPODVVXMFNQ-UHFFFAOYSA-O
-rxn:4:200048:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,IDPPWAYLPNBRGK-UHFFFAOYSA-N
-rxn:4:200048:222528,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NCCc5ccccc5)cc4)cc3)[n+](C)c3ccccc32)C1,HRBYFXKISBTIJS-UHFFFAOYSA-O
-rxn:4:200048:222554,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NCc5ccccc5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,TYDTVXVIJAQKJG-UHFFFAOYSA-O
-rxn:4:200048:222582,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,DFEWCHBZUUSGEK-UHFFFAOYSA-O
-rxn:4:200048:222595,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)Nc5ccc(F)c(F)c5)c4)cc3)[n+](C)c3ccccc32)C1,RZRAHZOPLFKEMA-UHFFFAOYSA-O
-rxn:4:200048:222596,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)Nc5ccc(F)c(Cl)c5)c4)cc3)[n+](C)c3ccccc32)C1,QRQUOAVEHLUZIM-UHFFFAOYSA-O
-rxn:4:200048:222601,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)cc3)[n+](C)c3ccccc32)C1,NNJXRLTYTCWDRR-UHFFFAOYSA-O
-rxn:4:200048:222684,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,ZDTJEJGURDYIMX-UHFFFAOYSA-N
-rxn:4:200048:222693,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,BPMUCHIWDMUSLQ-UHFFFAOYSA-N
-rxn:4:200048:222804,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(NC5CCS(=O)(=O)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,XOXFFRBQHLUEAY-UHFFFAOYSA-O
-rxn:4:200048:222826,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)[n+](C)c3ccccc32)C1,HRXAMNRTFAPQSK-UHFFFAOYSA-N
-rxn:4:200048:222842,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)NC5CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,CDXYXRSYKNCQJD-UHFFFAOYSA-O
-rxn:4:200048:222866,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,XRRYHLPPZGMPMG-UHFFFAOYSA-O
-rxn:4:200048:222876,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)cc3)[n+](C)c3ccccc32)C1,VXOASPLEDMNDRM-UHFFFAOYSA-O
-rxn:4:200048:222877,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC(C)(C)C)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,KCVNWPGWWBYJQF-UHFFFAOYSA-O
-rxn:4:200048:222888,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCNCC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,PZMZAXHTJJWVOA-UHFFFAOYSA-N
-rxn:4:200048:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1,YVIUMNHUMPACER-UHFFFAOYSA-N
-rxn:4:200048:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,MSENVCRSQNIMPB-UHFFFAOYSA-N
-rxn:4:200048:222919,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,NPULXRKYAFAFJM-UHFFFAOYSA-N
-rxn:4:200048:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,JLRCVSJPJQQKHN-UHFFFAOYSA-N
-rxn:4:200048:222946,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N5CCCCC5O)nc4Cl)cc3)[n+](C)c3ccccc32)C1,GLMPQRAOEJEILC-UHFFFAOYSA-N
-rxn:4:200048:222982,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3)[n+](C)c3ccccc32)C1,HAYVHKVACVVOHL-FRWDKNITSA-N
-rxn:4:200048:222984,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCC(O)C5)cc4)cc3)[n+](C)c3ccccc32)C1,HAYVHKVACVVOHL-UHFFFAOYSA-N
-rxn:4:200048:222990,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCC(O)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,QKEUNPZZOAEVSI-UHFFFAOYSA-N
-rxn:4:200048:222991,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCC(O)C5)cc4)cc3)[n+](C)c3ccccc32)C1,BCGMMNITJFLTLR-UHFFFAOYSA-N
-rxn:4:200048:223010,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5(O)CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,MGPYFBFXTYSUOX-UHFFFAOYSA-N
-rxn:4:200048:223019,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)NCCC#N)c4)cc3)[n+](C)c3ccccc32)C1,GTALPNGSXVEWKJ-UHFFFAOYSA-O
-rxn:4:200048:223025,CCCNC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1Cl,HDKVEUQNAWWPTJ-UHFFFAOYSA-O
-rxn:4:200048:223029,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(NC(=O)OC(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,YSBZPEMHAGSPJK-UHFFFAOYSA-O
-rxn:4:200048:223053,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC(C)C)cc4F)cc3)[n+](C)c3ccccc32)C1,BCPULOKFUPLFMQ-UHFFFAOYSA-O
-rxn:4:200048:223056,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCC(O)CC5)nc4)cc3)[n+](C)c3ccccc32)C1,GVOBXACNYMYRQH-UHFFFAOYSA-N
-rxn:4:200048:223070,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4csc(NC(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,NRULJBRZYWHVDI-UHFFFAOYSA-O
-rxn:4:200048:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,ZZKHBDULXXHACG-UHFFFAOYSA-N
-rxn:4:200048:223097,CNC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc([N+](=O)[O-])c1,URMJNPMCMGRMPN-UHFFFAOYSA-O
-rxn:4:200048:223103,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)cc3)[n+](C)c3ccccc32)C1,HEGGDZYXOSGQGO-UHFFFAOYSA-N
-rxn:4:200048:223109,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)NC5CC5)cc4)cc3)[n+](C)c3ccccc32)C1,UDOBTUZOESCIEL-UHFFFAOYSA-N
-rxn:4:200048:223114,CCCNC(=O)c1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,QLBZGXRRORYSIA-UHFFFAOYSA-O
-rxn:4:200048:223122,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(NC(=O)C(C)C)c4)cc3)[n+](C)c3ccccc32)C1,JVAMFWSDSHRDLS-UHFFFAOYSA-O
-rxn:4:200048:223125,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,AAMKLSYLMZWYJA-UHFFFAOYSA-O
-rxn:4:200048:223127,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CNC5CC5)cc4F)cc3)[n+](C)c3ccccc32)C1,FVFPQMKGVSFZGU-UHFFFAOYSA-N
-rxn:4:200048:223132,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCNCC5)c4)cc3)[n+](C)c3ccccc32)C1,KOHUTOYUHAFSEA-UHFFFAOYSA-N
-rxn:4:200048:223143,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCC(O)C5)c4)cc3)[n+](C)c3ccccc32)C1,QYWPMEQVLNGKTD-UHFFFAOYSA-N
-rxn:4:200048:223144,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)[n+](C)c3ccccc32)C1,TXOVLRULJYJXPP-UHFFFAOYSA-N
-rxn:4:200048:223150,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(NCCN(C)C)c4)cc3)[n+](C)c3ccccc32)C1,OVFRRXMHBKMNGM-UHFFFAOYSA-N
-rxn:4:200048:223180,CONC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,JVKWHIWSBDQCDQ-UHFFFAOYSA-O
-rxn:4:200048:223194,CCCNCc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,ZAJPPMKTYKMIHN-UHFFFAOYSA-N
-rxn:4:200048:223195,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CNC(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,NXPMWGRLIDGOTJ-UHFFFAOYSA-N
-rxn:4:200048:223250,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)NC(=O)CO5)cc3)[n+](C)c3ccccc32)C1,SHWDLJXRJLYSKJ-UHFFFAOYSA-O
-rxn:4:200048:223251,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)OCC(=O)N5)cc3)[n+](C)c3ccccc32)C1,KFWJZSAAKUNVIG-UHFFFAOYSA-O
-rxn:4:200048:223255,CONC(=O)c1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,MALXYODWESLRJV-UHFFFAOYSA-O
-rxn:4:200048:223294,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4csc(N5CCNCC5)n4)cc3)[n+](C)c3ccccc32)C1,UOBXYHMVZXBWJM-UHFFFAOYSA-N
-rxn:4:200048:223387,CCOC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)[nH]n1,XGXJDVOFKGFZFT-UHFFFAOYSA-O
-rxn:4:200048:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,PYYYTTACLLKORA-UHFFFAOYSA-N
-rxn:4:200048:223508,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)[n+](C)c3ccccc32)C1,CVDVUKRYKPZDIS-UHFFFAOYSA-N
-rxn:4:200048:223533,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)[n+](C)c3ccccc32)C1,ZIOXAAMDIBNHQO-UHFFFAOYSA-N
-rxn:4:200048:223571,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5C(=O)c6ccccc6C5=O)cc4)cc3)[n+](C)c3ccccc32)C1,TVSWHAAIYAMUKG-UHFFFAOYSA-N
-rxn:4:200048:223573,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,QIEXDIKMWXERMS-UHFFFAOYSA-N
-rxn:4:200048:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)C1,KHNWVNCSXNTOIX-UHFFFAOYSA-N
-rxn:4:200048:223664,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)cc3)[n+](C)c3ccccc32)C1,YEBQMQIAPNZSSS-UHFFFAOYSA-N
-rxn:4:200048:223696,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)[n+](C)c3ccccc32)C1,CWZKQTQZZBNXGO-UHFFFAOYSA-N
-rxn:4:200048:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)c1,KDQYWXGVBNBPRX-UHFFFAOYSA-N
-rxn:4:200048:223737,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,SENCYUKMMLMEEO-UHFFFAOYSA-N
-rxn:4:200048:223767,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc5ccc(C#N)cc5n4C(=O)OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,ASFWYQIXKHPZDA-UHFFFAOYSA-N
-rxn:4:200048:223825,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(OCc5ccccc5)c(C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,RSVWDSDFQWGFHY-UHFFFAOYSA-N
-rxn:4:200048:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,TXRQQUNROXATPF-UHFFFAOYSA-N
-rxn:4:200048:223858,COc1cc2c(cc1-c1ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc1)-c1ccccc1C2(C)C,MCIPQCVBJFWAOL-UHFFFAOYSA-N
-rxn:4:200048:223860,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4CN4CCCc5ccccc54)cc3)[n+](C)c3ccccc32)C1,XRGAFZNBGBXBPJ-UHFFFAOYSA-N
-rxn:4:200048:223872,CCN(C(=O)c1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1)C1CCCCC1,XFFQROVMBSAPIC-UHFFFAOYSA-N
-rxn:4:200048:223912,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OCc2ccccc2)c1Cl,JBXGBUPNFMKUDB-UHFFFAOYSA-N
-rxn:4:200048:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,YCIVKCORGNGFCQ-UHFFFAOYSA-N
-rxn:4:200048:223917,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,MRMAWGPBSPGWMZ-UHFFFAOYSA-N
-rxn:4:200048:223937,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,JHLGZDVLJMXLKQ-UHFFFAOYSA-N
-rxn:4:200048:223939,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3)[n+](C)c3ccccc32)C1,FDWIZHLISWCDSU-UHFFFAOYSA-N
-rxn:4:200048:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)CC1,FFYRVZVUVOYDHB-UHFFFAOYSA-N
-rxn:4:200048:224158,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,GVCQNRPDLKXHEY-UHFFFAOYSA-N
-rxn:4:200048:224179,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5CCN(C)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,RKKOBNPIJLYAFQ-UHFFFAOYSA-N
-rxn:4:200048:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)CC1,NHJUOODHQGBYIS-UHFFFAOYSA-N
-rxn:4:200048:224267,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCC6(CC5)OCCO6)c4)cc3)[n+](C)c3ccccc32)C1,QRLDLKOBYDVJQU-UHFFFAOYSA-N
-rxn:4:200048:224278,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,VXRDGDNCPYPKMB-UHFFFAOYSA-N
-rxn:4:200048:224303,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)c(F)c4F)cc3)[n+](C)c3ccccc32)C1,ICYBLIGBTUXWCP-UHFFFAOYSA-N
-rxn:4:200048:224309,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c4F)cc3)[n+](C)c3ccccc32)C1,MREBSTWUTBOKMP-UHFFFAOYSA-N
-rxn:4:200048:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,KVQWEGZLRCJPSV-UHFFFAOYSA-N
-rxn:4:200048:224393,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3)[n+](C)c3ccccc32)C1,AGIZZNHLLYAIES-UHFFFAOYSA-N
-rxn:4:200048:224471,CCOC(=O)c1cccc2c(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cccc12,BIMVALLDSNPOMQ-UHFFFAOYSA-N
-rxn:4:200048:224472,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(Cl)c(OC(C)C)ccc5c4)cc3)[n+](C)c3ccccc32)C1,BWPNZPPVEKKCFG-UHFFFAOYSA-N
-rxn:4:200048:224483,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5CCCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,KDUQWTLBJKRMJT-UHFFFAOYSA-N
-rxn:4:200048:224607,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,FMBCFQUWCYKIGA-UHFFFAOYSA-N
-rxn:4:200048:224615,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(OCCN5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,QYQBFRPRKMEVEE-UHFFFAOYSA-N
-rxn:4:200048:224679,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,VGMHMQXJZCASOQ-UHFFFAOYSA-N
-rxn:4:200048:224682,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCCC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,OBIVPMWJFKJATO-UHFFFAOYSA-N
-rxn:4:200048:224684,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,LPUJEWJMOOPBFG-UHFFFAOYSA-N
-rxn:4:200048:224686,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,XFVNTHHFAVDSCF-UHFFFAOYSA-N
-rxn:4:200048:224688,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCC(=O)CC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,FGLSBACLBPWJGM-UHFFFAOYSA-N
-rxn:4:200048:224689,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,GMSQNTZEPDLODB-UHFFFAOYSA-N
-rxn:4:200048:224758,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,AAHILPMMWLEWRV-UHFFFAOYSA-N
-rxn:4:200048:224846,CCC1CCC(c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)CC1,CUQSROGDDWIHEP-UHFFFAOYSA-N
-rxn:4:200048:224969,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1C(=O)OC(C)(C)C,PQSNFCVKQUKQLJ-UHFFFAOYSA-N
-rxn:4:200048:224977,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCCC5)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,ILTXVDOGBBSSDV-UHFFFAOYSA-N
-rxn:4:200048:225044,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,QPLSSJKSCHPPDG-UHFFFAOYSA-N
-rxn:4:200048:225082,Cc1nc2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c(F)cc2n1C(C)C,DJLWWOPVJNUORB-UHFFFAOYSA-N
-rxn:4:200048:225105,CCN(CC)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,LAIYETFEXJCPHQ-UHFFFAOYSA-N
-rxn:4:200048:225180,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,LOZZYERFOQMPTI-UHFFFAOYSA-N
-rxn:4:200048:225181,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCOCC5)c4F)cc3)[n+](C)c3ccccc32)C1,JDBCLMJLWAVYRS-UHFFFAOYSA-N
-rxn:4:200048:225182,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3)[n+](C)c3ccccc32)C1,UQPHPKOZUJCVJK-UHFFFAOYSA-N
-rxn:4:200048:225191,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(OC5CCCCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,FJCZOWHVTKWILM-UHFFFAOYSA-N
-rxn:4:200048:225199,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)c(OC5CCCC5)c(F)c4)cc3)[n+](C)c3ccccc32)C1,SSTVRMUCXLHTQX-UHFFFAOYSA-N
-rxn:4:200048:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,PEXJFYUHFBTWFM-UHFFFAOYSA-N
-rxn:4:200048:225215,CC1CCN(c2nccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2Cl)CC1,YKLBOARLXAEDHQ-UHFFFAOYSA-N
-rxn:4:200048:225220,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,DPXMMHFASGJUJB-UHFFFAOYSA-N
-rxn:4:200048:225234,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCCC5)c(F)c4F)cc3)[n+](C)c3ccccc32)C1,FZBUSRLBCXRSRE-UHFFFAOYSA-N
-rxn:4:200048:225282,CCC(C)c1ncc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C(F)(F)F,NHXJAYIETBBUSU-UHFFFAOYSA-N
-rxn:4:200048:225296,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,YOGJVLYCLZSEFS-UHFFFAOYSA-N
-rxn:4:200048:225325,CCOC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc([N+](=O)[O-])c1,GRPYRDMIXVHJDF-UHFFFAOYSA-N
-rxn:4:200048:225326,CCOC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c([N+](=O)[O-])c1,AMIDZZPBZRXRCV-UHFFFAOYSA-N
-rxn:4:200048:225346,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1S(=O)(=O)N(C)C,XLPJSTYRNILVAK-UHFFFAOYSA-N
-rxn:4:200048:225454,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5=CCN(C)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,LYFZBVDALYDPEY-UHFFFAOYSA-N
-rxn:4:200048:225515,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc5c4OCC(C)(C)CO5)cc3)[n+](C)c3ccccc32)C1,DJVAQUNORVBKSG-UHFFFAOYSA-N
-rxn:4:200048:225527,CCN(CC)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,XDLBIGBKYPELLA-UHFFFAOYSA-N
-rxn:4:200048:225529,CCN(CC)Cc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,WPJLGEQORUZGQQ-UHFFFAOYSA-N
-rxn:4:200048:225536,CC(C)COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C#N,VOWLJSYFDZIDFY-UHFFFAOYSA-N
-rxn:4:200048:225558,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4OCC4CCOC4)cc3)[n+](C)c3ccccc32)C1,DKBAAWWOWYTHAL-UHFFFAOYSA-N
-rxn:4:200048:225565,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(OCC5CCCO5)c4)cc3)[n+](C)c3ccccc32)C1,WJLGJVDUIMVPNY-UHFFFAOYSA-N
-rxn:4:200048:225575,COC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C1CC1,ORWUQKAGQIEEOG-UHFFFAOYSA-N
-rxn:4:200048:225577,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCC5)cc4C#N)cc3)[n+](C)c3ccccc32)C1,BEKAEWYOWROVJR-UHFFFAOYSA-N
-rxn:4:200048:225581,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,DRBQBOMQKVAWDQ-UHFFFAOYSA-N
-rxn:4:200048:225584,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,SEBXMYHRJFBQGO-UHFFFAOYSA-N
-rxn:4:200048:225589,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)[n+](C)c3ccccc32)C1,MLVDENSNVCOFPK-UHFFFAOYSA-N
-rxn:4:200048:225591,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(CN5CCCC5)ccc4F)cc3)[n+](C)c3ccccc32)C1,WXCKNJSYZZTOCW-UHFFFAOYSA-N
-rxn:4:200048:225597,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC5CCCCC5)nc4)cc3)[n+](C)c3ccccc32)C1,VKUGTHJCKBKYLN-UHFFFAOYSA-N
-rxn:4:200048:225618,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(OC5CCCCO5)c4)cc3)[n+](C)c3ccccc32)C1,JLKJHRJRWMUCPX-UHFFFAOYSA-N
-rxn:4:200048:225619,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)cc4OC4CCCC4)cc3)[n+](C)c3ccccc32)C1,SRZJKPXUXYWANC-UHFFFAOYSA-N
-rxn:4:200048:225636,CC1CCN(c2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)ccn2)CC1,JJTXLFQVBZYRBW-UHFFFAOYSA-N
-rxn:4:200048:225679,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,JQNJNXPXAOTTMM-UHFFFAOYSA-N
-rxn:4:200048:225726,CCOC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC,VAXAMZKOJVKVOY-UHFFFAOYSA-N
-rxn:4:200048:225728,CCCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1F,YQWKJJVBDKHRLC-UHFFFAOYSA-N
-rxn:4:200048:225731,CCOC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OC)c1,DPYVVQCXAMRVNV-UHFFFAOYSA-N
-rxn:4:200048:225735,CCOc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1OCC,MUOCGFJTVMRFQN-UHFFFAOYSA-N
-rxn:4:200048:225745,CC(C)Cc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1[N+](=O)[O-],BNWJMXUHYOBEEI-UHFFFAOYSA-N
-rxn:4:200048:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,OVMMNAYDSXGNRU-UHFFFAOYSA-N
-rxn:4:200048:225759,CCN(C)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,UIKVMAMOTHUJES-UHFFFAOYSA-N
-rxn:4:200048:225763,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)cc1OC,QQVGKPIALPZGOL-UHFFFAOYSA-N
-rxn:4:200048:225764,CCCOc1c(F)c(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1F,YOWFGJLITBHBID-UHFFFAOYSA-N
-rxn:4:200048:225768,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1OC(C)C,PLLDSWTWKCNWCR-UHFFFAOYSA-N
-rxn:4:200048:225772,COc1c(Cl)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC(C)C,HDWLIPPGEZHDCN-UHFFFAOYSA-N
-rxn:4:200048:225784,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCOCC5)nc4)cc3)[n+](C)c3ccccc32)C1,WEGUWCOLJDBFQO-UHFFFAOYSA-N
-rxn:4:200048:225797,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)cc3)[n+](C)c3ccccc32)C1,COTZTEPJZBJSFU-UHFFFAOYSA-N
-rxn:4:200048:225825,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)[n+](C)c3ccccc32)C1,HMRKXRAAQGQCGT-UHFFFAOYSA-N
-rxn:4:200048:225871,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)[n+](C)c3ccccc32)C1,ZUFOMLDWFCYHPR-UHFFFAOYSA-N
-rxn:4:200048:225879,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCOCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,YBRSQKCVWDVKGV-UHFFFAOYSA-N
-rxn:4:200048:225898,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,AFTLWBSUAXBACR-UHFFFAOYSA-N
-rxn:4:200048:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,UAWPPMHQMRHTGI-UHFFFAOYSA-N
-rxn:4:200048:225993,COC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1[N+](=O)[O-],JWAQQQFWBMIIJZ-UHFFFAOYSA-N
-rxn:4:200048:225995,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)ccc4OC(F)(F)F)cc3)[n+](C)c3ccccc32)C1,FVRZOFLJTAFYCB-UHFFFAOYSA-N
-rxn:4:200048:225998,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc([N+](=O)[O-])c1,ZUIWMEPCHZUAFG-UHFFFAOYSA-N
-rxn:4:200048:226001,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,PNRCJYUEHYZAHD-UHFFFAOYSA-N
-rxn:4:200048:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,KTWKCYPLGOHLEW-UHFFFAOYSA-N
-rxn:4:200048:226016,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC(F)(F)F)cc4Cl)cc3)[n+](C)c3ccccc32)C1,DPAHRAAPNDJMLV-UHFFFAOYSA-N
-rxn:4:200048:226021,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(Cl)ccc4OCC(F)(F)F)cc3)[n+](C)c3ccccc32)C1,FPOCOBSIBKSLOQ-UHFFFAOYSA-N
-rxn:4:200048:226067,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5=CCCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,GROBDCURHQOCJD-UHFFFAOYSA-N
-rxn:4:200048:226069,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,XHFKMXKPORZHPY-UHFFFAOYSA-N
-rxn:4:200048:226091,CCCCOc1ccc(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,QZFXHFKHBPEOQB-UHFFFAOYSA-N
-rxn:4:200048:226097,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(COCC5CC5)cc4)cc3)[n+](C)c3ccccc32)C1,DXFARULOQFWOPB-UHFFFAOYSA-N
-rxn:4:200048:226100,CCC(C)COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,VYIHAEQRZXTRRC-UHFFFAOYSA-N
-rxn:4:200048:226118,CCC(C)Oc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,XVPXSJJXRPMMSL-UHFFFAOYSA-N
-rxn:4:200048:226129,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,XGACCXJFLPSMDW-UHFFFAOYSA-N
-rxn:4:200048:226134,Cc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C#N)cc1C1CC1,FZPOGRQQWACOSX-UHFFFAOYSA-N
-rxn:4:200048:226146,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(SC5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,SWBFAQJQKMVKEO-UHFFFAOYSA-N
-rxn:4:200048:226153,COc1cc(C)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C1CC1,AFYVWEWYOWWSDN-UHFFFAOYSA-N
-rxn:4:200048:226159,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,ZWQDARSAJRSOLE-UHFFFAOYSA-N
-rxn:4:200048:226181,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5=CCCCC5)nc4)cc3)[n+](C)c3ccccc32)C1,FCONMSKCNRZKBE-UHFFFAOYSA-N
-rxn:4:200048:226211,CC(=O)N1CCc2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)ccc21,IYNFRZMLMXAVRT-UHFFFAOYSA-N
-rxn:4:200048:226231,CCCCOc1ncc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,BEEFVDMAAYKNKX-UHFFFAOYSA-N
-rxn:4:200048:226233,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,MBJGBZNPYHOERD-UHFFFAOYSA-N
-rxn:4:200048:226237,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4OCCN(C)C)cc3)[n+](C)c3ccccc32)C1,JBGCBCCGPFOKLP-UHFFFAOYSA-N
-rxn:4:200048:226239,CCCOC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,YJCSLRZEXYCVFC-UHFFFAOYSA-N
-rxn:4:200048:226252,CCCCOc1cc(Cl)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,KUDIVNVKNWAOGP-UHFFFAOYSA-N
-rxn:4:200048:226254,CCCOc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OC,SAEUAFXTSJNEML-UHFFFAOYSA-N
-rxn:4:200048:226255,CCCCOc1ccc(Cl)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,BKBGUTYZSQYNOR-UHFFFAOYSA-N
-rxn:4:200048:226261,CCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OCC,FNLCZSVDFQCKOO-UHFFFAOYSA-N
-rxn:4:200048:226262,CCCCOc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1Cl,XRIUTRQMIFVPLD-UHFFFAOYSA-N
-rxn:4:200048:226269,CCOc1ccc(OCC)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,VBIILUKQIKJACQ-UHFFFAOYSA-N
-rxn:4:200048:226273,CCN(C)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,AGPOBDXKCXZRKY-UHFFFAOYSA-N
-rxn:4:200048:226276,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1CN(C)C,GYFWDIJCGKYHHH-UHFFFAOYSA-N
-rxn:4:200048:226277,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC(C)(C)C)nc4)cc3)[n+](C)c3ccccc32)C1,BXFPIXQEPXSETP-UHFFFAOYSA-N
-rxn:4:200048:226284,CC(C)COc1cc(Cl)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,FAFTUHLLFNODCT-UHFFFAOYSA-N
-rxn:4:200048:226288,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC(C)C,JMZUVQAQKNQEII-UHFFFAOYSA-N
-rxn:4:200048:226289,COc1cccc(OC(C)C)c1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,ZTCBVUOYRNRAME-UHFFFAOYSA-N
-rxn:4:200048:226293,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC5CC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,XAUKPLOXVZJAJT-UHFFFAOYSA-N
-rxn:4:200048:226304,COc1cc(OC(C)C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,YGJIHTAWNOYTOT-UHFFFAOYSA-N
-rxn:4:200048:226305,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OC(C)C,FPXGJZOZOOTOBW-UHFFFAOYSA-N
-rxn:4:200048:226307,COCc1cc(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1OC,KWXRIWVUZSIHMU-UHFFFAOYSA-N
-rxn:4:200048:226327,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5(C#N)CC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,AWXMBQCBFDPRAR-UHFFFAOYSA-N
-rxn:4:200048:226339,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)cc(Cl)c4C4CC4)cc3)[n+](C)c3ccccc32)C1,LJHIIEWQXJVCSF-UHFFFAOYSA-N
-rxn:4:200048:226342,COC(=O)c1c(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,DHOYCINZKDQUOT-UHFFFAOYSA-N
-rxn:4:200048:226350,COC(=O)c1c(C)ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1C,FRLVVLYMRKBSLP-UHFFFAOYSA-N
-rxn:4:200048:226352,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(Cl)cc1OC(C)C,NVSACNDTMQZSRK-UHFFFAOYSA-N
-rxn:4:200048:226411,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,PFXUIXCFSLYWTJ-UHFFFAOYSA-N
-rxn:4:200048:226413,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,OWAINAOQFWBWGW-UHFFFAOYSA-N
-rxn:4:200048:226421,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)cc4N4CCCC4)cc3)[n+](C)c3ccccc32)C1,YXIAIVHYYZEHQT-UHFFFAOYSA-N
-rxn:4:200048:226427,CC1CCN(c2csc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)CC1,SVZKWPMZOYKKLR-UHFFFAOYSA-N
-rxn:4:200048:226429,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCC(C)C5)s4)cc3)[n+](C)c3ccccc32)C1,QUVHAHUOGBVKGR-UHFFFAOYSA-N
-rxn:4:200048:226441,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,OJPDFZYKGYVPDI-UHFFFAOYSA-N
-rxn:4:200048:226452,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5OCCCO5)cc4)cc3)[n+](C)c3ccccc32)C1,PUXDTOUNOSCCTN-UHFFFAOYSA-N
-rxn:4:200048:226468,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc5c4OCC(=O)N5C)cc3)[n+](C)c3ccccc32)C1,GIQZMVBKQPPFJR-UHFFFAOYSA-N
-rxn:4:200048:226502,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccn(C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,LAWYKVCOLLLTRT-UHFFFAOYSA-N
-rxn:4:200048:226519,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(OC)c1OC,DXSGHIWVLLOLTR-UHFFFAOYSA-N
-rxn:4:200048:226525,CCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1F,MSKWTESAMMHXBJ-UHFFFAOYSA-N
-rxn:4:200048:226551,CCOc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1OC,KVVWLXPCXALWFD-UHFFFAOYSA-N
-rxn:4:200048:226553,COC(=O)c1c(OC)cccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,VBUMTWGILVPYAH-UHFFFAOYSA-N
-rxn:4:200048:226561,COc1cc(OC)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC,HXRXKKNYWRCJNJ-UHFFFAOYSA-N
-rxn:4:200048:226564,COc1cc(OC)c(OC)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,HJDNJRFXIRFWGZ-UHFFFAOYSA-N
-rxn:4:200048:226567,COC(=O)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,DIESLCIEIFAUOG-UHFFFAOYSA-N
-rxn:4:200048:226583,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCOCC5)s4)cc3)[n+](C)c3ccccc32)C1,QLCLNVKPNVIRDD-UHFFFAOYSA-N
-rxn:4:200048:226600,CCOc1c(F)c(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1F,VBYISQWRZGBKOQ-UHFFFAOYSA-N
-rxn:4:200048:226654,CC1CCN(c2nc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cs2)CC1,AIZRQGVCIUAIOJ-UHFFFAOYSA-N
-rxn:4:200048:226661,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)[n+](C)c3ccccc32)C1,OHRXPIDMOSGGMN-UHFFFAOYSA-N
-rxn:4:200048:226675,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)[n+](C)c3ccccc32)C1,UEGKZJBTANMVJA-UHFFFAOYSA-N
-rxn:4:200048:226716,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccn(C(=O)OC(C)(C)C)n4)cc3)[n+](C)c3ccccc32)C1,CGLAXTUDCMMKEU-UHFFFAOYSA-N
-rxn:4:200048:226737,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(F)(F)F)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,ZGPABTVHSLLVSF-UHFFFAOYSA-N
-rxn:4:200048:226738,CC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c([N+](=O)[O-])c1,SZPFUUORWZJQON-UHFFFAOYSA-N
-rxn:4:200048:226739,CC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1[N+](=O)[O-],BFEBLDCVBOVCTL-UHFFFAOYSA-N
-rxn:4:200048:226840,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)nc(C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,UJQFDUWQJOAQRM-UHFFFAOYSA-N
-rxn:4:200048:226841,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cnc1C(F)(F)F,ZSXXWHOXOKDPGR-UHFFFAOYSA-N
-rxn:4:200048:226863,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4F)cc3)[n+](C)c3ccccc32)C1,MQGWROHUVRYUIX-UHFFFAOYSA-N
-rxn:4:200048:226870,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(F)c(OC(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,FIEIMUMAGXPSNA-UHFFFAOYSA-N
-rxn:4:200048:226871,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)cc4OC(F)(F)F)cc3)[n+](C)c3ccccc32)C1,AGLYICMFEDYZNW-UHFFFAOYSA-N
-rxn:4:200048:226886,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)[n+](C)c3ccccc32)C1,ULDYNCUXUJRIFS-UHFFFAOYSA-N
-rxn:4:200048:226909,CCC/C=C/c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,RYUDXONLMYMWAO-DHZHZOJOSA-N
-rxn:4:200048:226916,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C5=CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,LYEPPMKPDLZCNZ-UHFFFAOYSA-N
-rxn:4:200048:226921,Cc1cc(C)c(C2CC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,WURYQKPMMJMYTK-UHFFFAOYSA-N
-rxn:4:200048:226922,Cc1cc(C2CC2)cc(C)c1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,XXVJIHVVOVUTSV-UHFFFAOYSA-N
-rxn:4:200048:226923,Cc1cc(C2CC2)c(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,KGVVVAQQNIMZGV-UHFFFAOYSA-N
-rxn:4:200048:226925,Cc1cc(C2CC2)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1C,OGESZZXEOIGFCR-UHFFFAOYSA-N
-rxn:4:200048:226971,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)CCCOC5)cc3)[n+](C)c3ccccc32)C1,FKDBDLKBZHMWFZ-UHFFFAOYSA-N
-rxn:4:200048:226982,CCCCOc1ccccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,MMWUUYKZQGYXBE-UHFFFAOYSA-N
-rxn:4:200048:226988,COCCCc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,IONLDMXDRSICGN-UHFFFAOYSA-N
-rxn:4:200048:226994,CCCOc1ccc(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,WZITVBMEWFLZOP-UHFFFAOYSA-N
-rxn:4:200048:227022,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCC5)cc4)cc3)[n+](C)c3ccccc32)C1,PRRSTDQHILULAO-UHFFFAOYSA-N
-rxn:4:200048:227033,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CC5)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,GCGWUXDIUHFZLR-UHFFFAOYSA-N
-rxn:4:200048:227034,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(C#N)cccc4C4CC4)cc3)[n+](C)c3ccccc32)C1,LGCUWKYIIXQATL-UHFFFAOYSA-N
-rxn:4:200048:227035,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)cc(C5CC5)c4)cc3)[n+](C)c3ccccc32)C1,CKIDISGHRJTVNB-UHFFFAOYSA-N
-rxn:4:200048:227037,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)ccc4C4CC4)cc3)[n+](C)c3ccccc32)C1,RHOZMCMTNGHRIA-UHFFFAOYSA-N
-rxn:4:200048:227064,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,HJSIGMHBKBUWGU-UHFFFAOYSA-N
-rxn:4:200048:227069,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C(C)C)c1,XCCPEZBYGPINRP-UHFFFAOYSA-N
-rxn:4:200048:227070,CCOc1cc(C)c(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,SSWMENOQPAXIGA-UHFFFAOYSA-N
-rxn:4:200048:227073,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C2CC2)c1,DKGSQSUNRDAUAG-UHFFFAOYSA-N
-rxn:4:200048:227078,COc1ccc(C2CC2)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,GWVNSPDGUGIPBF-UHFFFAOYSA-N
-rxn:4:200048:227183,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)CN(C)C5=O)cc3)[n+](C)c3ccccc32)C1,USNMWAZZFLXAOL-UHFFFAOYSA-N
-rxn:4:200048:227206,Cc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc2c1COC2=O,TYMRTASVOLRVQM-UHFFFAOYSA-N
-rxn:4:200048:227215,COCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,YGTZPXXOYUYYRS-UHFFFAOYSA-N
-rxn:4:200048:227225,CC(C)CSc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cn1,NKHWHRYUXQAORJ-UHFFFAOYSA-N
-rxn:4:200048:227240,CC(=O)OCc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,SVYHTKJBIZKJLK-UHFFFAOYSA-N
-rxn:4:200048:227297,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(CN(C)C)ccc4F)cc3)[n+](C)c3ccccc32)C1,MPUBMWOJJDAAPG-UHFFFAOYSA-N
-rxn:4:200048:227299,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)cc(CN(C)C)c4)cc3)[n+](C)c3ccccc32)C1,YZLYMXDPOSLEHB-UHFFFAOYSA-N
-rxn:4:200048:227343,COC(=O)c1cc(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,HNUSYUZUWMHVFI-UHFFFAOYSA-N
-rxn:4:200048:227347,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(C)C)cc4Cl)cc3)[n+](C)c3ccccc32)C1,JZHYRYJFEKUXDD-UHFFFAOYSA-N
-rxn:4:200048:227348,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1OC,JAVKOFIZRNJJJY-UHFFFAOYSA-N
-rxn:4:200048:227367,CCOc1cc(Cl)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,AEQGLWWGFNFTJB-UHFFFAOYSA-N
-rxn:4:200048:227534,CCOc1cc(F)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1,IMBYDGCEBFEITI-UHFFFAOYSA-N
-rxn:4:200048:227543,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1F,VLTPXNJJGWWEMM-UHFFFAOYSA-N
-rxn:4:200048:227567,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1OC,UYRCBQBZIOHFMR-UHFFFAOYSA-N
-rxn:4:200048:227628,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C5CCC5)nc4Cl)cc3)[n+](C)c3ccccc32)C1,GCPSKWMQINBGDL-UHFFFAOYSA-N
-rxn:4:200048:227683,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C#N)cc4[N+](=O)[O-])cc3)[n+](C)c3ccccc32)C1,SQVXUZHVMIBURZ-UHFFFAOYSA-N
-rxn:4:200048:227687,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c([N+](=O)[O-])c1,IYKHLXIYCQHKJD-UHFFFAOYSA-N
-rxn:4:200048:227695,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc([N+](=O)[O-])c1,IMECKAQUEXUXTO-UHFFFAOYSA-N
-rxn:4:200048:227734,Cc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)cc1[N+](=O)[O-],VVPGINVFHNCLJP-UHFFFAOYSA-N
-rxn:4:200048:227751,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(F)(F)F)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,OKFYRJNCSRATNH-UHFFFAOYSA-N
-rxn:4:200048:227757,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(Cl)cc(C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,UYBKIKGSEWMWEZ-UHFFFAOYSA-N
-rxn:4:200048:227771,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(F)(F)F)nc4)cc3)[n+](C)c3ccccc32)C1,ZQFJADIGWVXQAS-UHFFFAOYSA-N
-rxn:4:200048:228211,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(N5CCCC5)cs4)cc3)[n+](C)c3ccccc32)C1,GAWWEXPCCBWFRH-UHFFFAOYSA-N
-rxn:4:200048:228293,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnn(CCN(C)C)c4)cc3)[n+](C)c3ccccc32)C1,XFVGKIPIVKOWAH-UHFFFAOYSA-N
-rxn:4:200048:228453,COC(=O)Cn1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cn1,SVNKFVFJXUTGNA-UHFFFAOYSA-N
-rxn:4:200048:228465,COC(=O)c1sc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,YAMAQUPUPXZLQW-UHFFFAOYSA-N
-rxn:4:200048:228499,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(F)(F)F)nn4C)cc3)[n+](C)c3ccccc32)C1,WCESFPJRAHXBSI-UHFFFAOYSA-N
-rxn:4:200082:223541,COCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)nc1[N+](=O)[O-],YSBXMCDVHXMKRF-UHFFFAOYSA-N
-rxn:4:200127:224182,COC(=O)Cc1ccc([N+](=O)[O-])c(-c2ccc(OCCN3CCOCC3)c(C)c2)c1C#N,UYMIAWRKMGZYSE-UHFFFAOYSA-N
-rxn:4:200262:223559,COC(=O)Cn1c(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cnc1SC,FBSDQTRGSACLAF-UHFFFAOYSA-N
-rxn:4:200303:225365,CC(C)Oc1c(F)c(F)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCOCC2)c(F)c1F,DOBPLIXWPXESQK-UHFFFAOYSA-N
-rxn:4:200310:225310,N#CC1CCN(C(=O)COc2ccc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)cc2)CC1,AJFDUECKAQICSB-UHFFFAOYSA-N
-rxn:4:200315:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)c4ccco4)cc3)cc2)CC1,NZZITUVETVFVJQ-UHFFFAOYSA-N
-rxn:4:200336:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)CC3CC3)C2)cc1,DRHBDDPITOFKFW-UHFFFAOYSA-N
-rxn:4:200347:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Sc4nc(-c5cccc(C(F)(F)F)c5)ccc4C#N)cc3)cc(C(F)(F)F)c2)CC1,SCTGZSWOZCAIMS-UHFFFAOYSA-N
-rxn:4:200384:222904,CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)cn1,YJHNOUGGNFDAPZ-UHFFFAOYSA-N
-rxn:4:200398:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN=C2SCc2ccccc2F)c1,YZSMKXYNEWCPLF-UHFFFAOYSA-N
-rxn:4:200430:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(CCN3CCN(CC(F)(F)F)CC3)cc2)c1,WFKMZDBAJCUNOO-UHFFFAOYSA-N
-rxn:4:200466:223681,CCN1CCN(CCOc2ccc(-c3cc4cc([N+](=O)[O-])ccc4n3C(=O)OC(C)(C)C)cc2Cl)CC1,UNNBDJCQKZFCHJ-UHFFFAOYSA-N
-rxn:4:200475:224366,COCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cc2)CC1,HUJCQHMKAWUFJD-UHFFFAOYSA-N
-rxn:4:200567:225975,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)c(C)c2)CC1,CCVUVNLRYSIBLB-UHFFFAOYSA-N
-rxn:4:200596:222581,CC(C)NS(=O)(=O)c1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12,GWDAGISZHYKBBR-UHFFFAOYSA-N
-rxn:4:200627:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1C(F)(F)F,RJOPIINQWZELDK-UHFFFAOYSA-N
-rxn:4:200633:222959,COc1ccc(-c2ccc(C3CCNCC3)c(C)c2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,RRKVMGYJBXNIOR-UHFFFAOYSA-N
-rxn:4:200633:223873,COc1ccc(-c2ccccc2CCC(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,MWAATUVYCUNRRJ-UHFFFAOYSA-N
-rxn:4:200646:224075,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)c2)CC1,QMFCSOZMHJYCDI-UHFFFAOYSA-N
-rxn:4:200658:228232,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(Cl)c(C4CC4)c3)cc2Cl)CC1,QEFBVNYWGKTVDE-UHFFFAOYSA-N
-rxn:4:200660:224278,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cc2F)CC1,REDPVXJPHUHBGX-UHFFFAOYSA-N
-rxn:4:200661:228311,CCCc1ncc(-c2cccc(F)c2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)n1,YBMWPSSUWUUDII-UHFFFAOYSA-N
-rxn:4:200673:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(COc3ccncc3)C2)cc1S(=O)(=O)NC1CCCCC1,IWNNCJXOPMYWHP-UHFFFAOYSA-N
-rxn:4:200706:227464,CCCCSc1ncc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,IHBFETRESQUHJZ-UHFFFAOYSA-N
-rxn:4:200721:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,CWGYPMSNTQPAHK-UHFFFAOYSA-N
-rxn:4:200729:226257,CCCCOc1ccc(F)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(F)(F)F,LSYUKGNSOWBJJH-UHFFFAOYSA-N
-rxn:4:200735:224502,CN1CCCCC1COc1cccc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)c1,MLNYRGKTOOVDRU-UHFFFAOYSA-N
-rxn:4:200737:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3C(F)(F)F)c(F)c2)C1,JYEATXBNRMIPKN-UHFFFAOYSA-N
-rxn:4:200743:224132,COc1ccc(-c2ccccc2C(=O)N(C)C2CCCCC2)c(C(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)c1,VYKNNKAIHYIKLZ-UHFFFAOYSA-N
-rxn:4:200745:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(C(=O)OC(C)(C)C)cc(C4=NOC(c5ccccn5)C4)c3)cnc21,FUSKTFAOOYVWHT-UHFFFAOYSA-N
-rxn:4:200749:226336,N#Cc1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c(Cl)cc1C1CC1,FEZFLDFWONWWGG-UHFFFAOYSA-N
-rxn:4:200754:224738,CCOc1cccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c1CN1CCN(C(C)C)CC1,WEFLKFRYALJGMR-UHFFFAOYSA-N
-rxn:4:200756:225985,COC1CCN(C2CN(C(=O)Cc3ccc(-c4cccc(N5CCCS5(=O)=O)c4)cc3)C2)CC1,LDRJOQNLYDMNJA-UHFFFAOYSA-N
-rxn:4:200768:224571,Cc1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc1C(=O)N1CCCC(COc2ccncc2)C1,NQILZMQBYTYGKC-UHFFFAOYSA-N
-rxn:4:200776:222465,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)cc1,WJGJGMUYXPAGHX-UHFFFAOYSA-N
-rxn:4:200794:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC=Cc5ccccc5)CC4)cc3)cn2)CC1,LZGQGFDIPOPZLX-UHFFFAOYSA-N
-rxn:4:200797:222538,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,QSFFVNDSGLKODO-UHFFFAOYSA-N
-rxn:4:200803:222848,CCOc1ccc(-c2cc(CC)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,QZIKADYAFXHGHD-UHFFFAOYSA-N
-rxn:4:200822:223201,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccccc3C3CCNC3)c2)CC1,TVTQOHPSEKHQAA-UHFFFAOYSA-N
-rxn:4:200841:227260,COCc1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCC3)c2)ccc1OC,CFVLGOHRLAWVQE-UHFFFAOYSA-N
-rxn:4:200841:227935,CCc1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCC3)c2)ccc1OC,WTXMRIOJILVHHN-UHFFFAOYSA-N
-rxn:4:200854:228002,COC(=O)C1CCCN(Cc2ccc(-c3sccc3C3CCCC3)cc2N2CCOCC2)C1,BWAKRRYPEPISQR-UHFFFAOYSA-N
-rxn:4:200859:222854,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C5CCCNC5)ccc4OC)ccc3OC)CC2)cc1,QBLKWKGVFQMIGE-UHFFFAOYSA-N
-rxn:4:200890:225849,CCOc1ccc(-c2cnc(N3CCCCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,DHSYGOYDEATNDU-UHFFFAOYSA-N
-rxn:4:200892:226724,CCOc1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,KRKJTYDUTDKBEU-UHFFFAOYSA-N
-rxn:4:200903:222441,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2C(C)C)CC1,XISWMHUHEJNRRF-UHFFFAOYSA-N
-rxn:4:200903:222609,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2C(C)C)CC1,TVYFHNORDLDPHV-UHFFFAOYSA-N
-rxn:4:200903:222748,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(C(=O)NCC4CCCO4)c3)cc2C(C)C)CC1,WSDUGNYURDLVQW-UHFFFAOYSA-N
-rxn:4:200903:222807,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cc2C(C)C)CC1,NEVCZMQWNPYIDI-UHFFFAOYSA-N
-rxn:4:200903:222861,CCCCNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)ccc1F,FAGUEDIHZXBFOO-UHFFFAOYSA-N
-rxn:4:200903:222961,CCCCNC(=O)c1cccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,KPBJCNDACYQHTP-UHFFFAOYSA-N
-rxn:4:200903:223151,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)NCC#N)cc3)cc2C(C)C)CC1,SQHBWKBLYAKPFJ-UHFFFAOYSA-N
-rxn:4:200903:223160,CCNC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c(F)c1,BWRHLGFCFRFZIA-UHFFFAOYSA-N
-rxn:4:200903:223178,CONC(=O)c1ccc(F)c(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,MAIBYJJVZPLSAP-UHFFFAOYSA-N
-rxn:4:200903:223180,CONC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cc1F,XGMGZXIXFUDJMJ-UHFFFAOYSA-N
-rxn:4:200903:223264,CNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)ccc1F,AMLABZHBOJHUKH-UHFFFAOYSA-N
-rxn:4:200903:223480,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2C(C)C)CC1,HRXDYYAGSIZIIN-UHFFFAOYSA-N
-rxn:4:200903:223553,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)cc2C(C)C)CC1,QGSFPAKSEYTPOF-UHFFFAOYSA-N
-rxn:4:200903:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3C)cc2)CC1,IVIZRTLLAHBFMY-UHFFFAOYSA-N
-rxn:4:200903:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C,FKYVQWIGGMTEMN-UHFFFAOYSA-N
-rxn:4:200903:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3C)c2)CC1,HORAXRCIAJBPNC-UHFFFAOYSA-N
-rxn:4:200903:224412,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc2C(C)C)CC1,SCGBQSMQPYOQDF-UHFFFAOYSA-N
-rxn:4:200903:225757,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cc(C(C)C)n1,MTYZYLYWLPXSDN-UHFFFAOYSA-N
-rxn:4:200903:225815,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C4CC4)cc3C(F)(F)F)cc2C(C)C)CC1,YNYPRJYGXBSOLY-UHFFFAOYSA-N
-rxn:4:200903:225821,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C4CC4)c(C(F)(F)F)c3)cc2C(C)C)CC1,XEOSKYUSRYDXEZ-UHFFFAOYSA-N
-rxn:4:200903:226270,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(C=C(C#N)C#N)c3)cc2C(C)C)CC1,YUEHAKIGDXMICS-UHFFFAOYSA-N
-rxn:4:200903:226470,CCOC(=O)CCc1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cs1,YYMJUNKRPHTHJE-UHFFFAOYSA-N
-rxn:4:200903:226567,COC(=O)C(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cc1,LDIYLQPOSRBRLM-UHFFFAOYSA-N
-rxn:4:200903:227115,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C)c(C4CC4)cc3F)cc2C(C)C)CC1,KGTWEARAXAELND-UHFFFAOYSA-N
-rxn:4:200903:227477,CCOC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)ccn1,NNYFTXHRAGZHPE-UHFFFAOYSA-N
-rxn:4:200903:227505,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2C(C)C)CC1,FAADJWJRAIAZID-BUHFOSPRSA-N
-rxn:4:200903:227625,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCO4)nc3)cc2C(C)C)CC1,MWCBDPWCSOSSSS-UHFFFAOYSA-N
-rxn:4:200903:227804,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2C(C)C)CC1,XUFLTATWCDFBGW-UHFFFAOYSA-N
-rxn:4:200903:228092,CCN(CC)c1csc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,DCKVOJFRNMLXKL-UHFFFAOYSA-N
-rxn:4:200905:224649,Cc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)cc1-c1cc(F)ccc1OCC1CCCCO1,ZWMXQTLGFVDRLP-UHFFFAOYSA-N
-rxn:4:201057:222412,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(NC(=O)NC)cc4)cc32)SC1=S,PKESNEFJWZZRTA-UHFFFAOYSA-N
-rxn:4:201057:224381,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(-n5cnc(C)c5)c(C(F)(F)F)c4)cc32)SC1=S,QAOMMHBXOXTNBU-UHFFFAOYSA-N
-rxn:4:201058:226894,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2cc(Cl)c(F)cc2C(F)(F)F)c1,WSMLKEXYPRYYPK-UHFFFAOYSA-N
-rxn:4:201090:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)Oc3c(CN4CCOCC4)cc(Cl)c4cccnc34)cc2)c1,HZGLYSPHRIDGRP-UHFFFAOYSA-N
-rxn:4:201099:223284,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)N2C(=O)C(C)SC2=N1,ICWQBEQZRQJKLF-UHFFFAOYSA-N
-rxn:4:201102:223248,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cnc3[nH]c(=O)ccc3c2)N2C(=O)CCSC2=N1,RTVXMWRPBXPMOU-UHFFFAOYSA-N
-rxn:4:201119:222935,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)C2=O)c2ccccc21,DWRNOTWLDKQGIW-UHFFFAOYSA-N
-rxn:4:201119:227464,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(SCCCC)nc4)cc3)C2=O)c2ccccc21,LXFHUEHNMWZNBK-UHFFFAOYSA-N
-rxn:4:201126:224549,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccccc1OCc1ccccc1Cl,LFYFBSNIAPWEEQ-UHFFFAOYSA-N
-rxn:4:201133:229012,CC(C)c1ccsc1-c1ccc2c(c1)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2=O,NIOQGIFSVQUTFG-UHFFFAOYSA-N
-rxn:4:201144:223282,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cc(F)c(Cl)c5[nH]ncc45)cc32)CC1,CBVCMXAWYQXKGM-UHFFFAOYSA-N
-rxn:4:201192:224728,COc1cc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)c(C(=O)OC(C)(C)C)cn1,KYTZATPSORHIPV-UHFFFAOYSA-N
-rxn:4:201238:223597,COC(=O)c1ccc([N+](=O)[O-])c(C#N)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,PRPUDCSRAQXKLI-UHFFFAOYSA-N
-rxn:4:201247:223755,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1C#N,ONFZYHKGZXDXOF-UHFFFAOYSA-N
-rxn:4:201426:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OCC2CCC2)c([N+](=O)[O-])c1,JITQWIWTAKOWOG-UHFFFAOYSA-N
-rxn:4:201521:222604,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN(C)C2CC2)cc1S(=O)(=O)NC1CCCC1,FYXHYRDAOIZMSB-UHFFFAOYSA-N
-rxn:4:201562:223504,CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n(C(C)(C)C)n1,CJJJCUIHPRQHGU-UHFFFAOYSA-N
-rxn:4:201676:222429,N#CCC(=O)C1CCCN(c2c(F)cccc2-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1=O,NSMXZPBTJOWHFI-UHFFFAOYSA-N
-rxn:4:201704:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)cc1,RDSAFNLPKKPQAE-UHFFFAOYSA-N
-rxn:4:201732:224325,CCOC(=O)C1CCC(n2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,AHXFVJQJLCUEGF-UHFFFAOYSA-N
-rxn:4:201743:223506,CCOC(=O)c1c(C)nn(-c2ccccc2-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C,MZJJWSYQGRECFT-UHFFFAOYSA-N
-rxn:4:201746:223931,CC(C)(C)OC(=O)n1c(-c2cccnc2OC2CCN(S(=O)(=O)C3CC3)C2)cc2ccc(Cl)cc21,MMQCQRKYFWGLCL-UHFFFAOYSA-N
-rxn:4:201773:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)n2)c1,RJRXVYKPJCBNPB-UHFFFAOYSA-N
-rxn:4:201802:222941,CONS(=O)(=O)c1c(C)cc(-c2cccc(N3CCCC(C(=O)C(C)C#N)C3=O)c2)cc1C,LRHFSONLWNTFRC-UHFFFAOYSA-N
-rxn:4:201836:225979,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3cnc(N4CCOCC4)c(Cl)c3)cs2)C1,HJEDOBJACBOKMQ-UHFFFAOYSA-N
-rxn:4:201858:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)c1,YYIOLRDKDXNTSE-UHFFFAOYSA-N
-rxn:4:201870:225053,CC1CCCCN1c1ccc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)c(F)c1,OHXHZWRJXLNBAC-UHFFFAOYSA-N
-rxn:4:201929:224378,CC(C)(C)OC(=O)N1CCCC(c2csc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)n2)C1,CKMGBWPNVOXBCF-UHFFFAOYSA-N
-rxn:4:201951:225342,CCOC(=O)c1nc(N2CCC(C)CC2)ccc1-c1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1,UFXGBDBFURUOFX-UHFFFAOYSA-N
-rxn:4:201963:223677,CCN1CCN(Cc2cc(C(F)(F)F)ccc2-c2cc(Cl)c(OCc3ccccc3)c(C(F)(F)F)c2)CC1,URQNBNRADLDQIH-UHFFFAOYSA-N
-rxn:4:201969:227212,CCCCOc1ncccc1-c1ccc(OC)cc1C(=O)N1CCC(N2C(=O)CSC2=O)C1,IQBLYLGEHTZMQP-UHFFFAOYSA-N
-rxn:4:201975:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,IBVVLVJSYJJWTF-UHFFFAOYSA-N
-rxn:4:202004:223060,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,GJXIRJYVJJEOML-UHFFFAOYSA-N
-rxn:4:202064:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1N1CCN(C(=O)CC(C)C)CC1,RFFJZZIFSFXTJR-UHFFFAOYSA-N
-rxn:4:202068:224768,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cc(F)c(C(=O)N2CCCC2)c(F)c1,DGLKNCDTAFMIDD-UHFFFAOYSA-N
-rxn:4:202075:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)cc2)cc1,LTHZGORCJRSDJX-UHFFFAOYSA-N
-rxn:4:202075:223176,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cccc(CNS(C)(=O)=O)c3)cn2)C1=O,HDPDJGUTRFGNOF-UHFFFAOYSA-N
-rxn:4:202095:223093,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cncc(NS(=O)(=O)C(C)C)c1,GFXWFFNFSJXPBU-UHFFFAOYSA-N
-rxn:4:202103:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1,BUCQQHSQYUCVKQ-UHFFFAOYSA-N
-rxn:4:202104:224400,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)ccn2)CC1,SXLPWYXWLIGAQH-UHFFFAOYSA-N
-rxn:4:202127:223880,Cc1ccc2c(c1)cc(-c1cnccc1C1CCN(C(=O)OC(C)(C)C)CC1)n2C(=O)OC(C)(C)C,SAASRFJTTNQWEB-UHFFFAOYSA-N
-rxn:4:202153:224939,O=C(CN1C(=O)C(=Cc2cccc(-c3ccccc3COCc3cccs3)c2)SC1=S)N1CCCCC1,YCUBMLDLYRLFAE-UHFFFAOYSA-N
-rxn:4:202159:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N=C(c3ccc(Cl)cc3)N3CCOCC3)cc2)cc1,VELNACKMFGICOE-UHFFFAOYSA-N
-rxn:4:202171:223901,CC1CCN(CCOc2ccc(-c3ccc(C4=NN(C(=O)c5ccco5)C(C(C)(C)C)C4)cc3)cc2Cl)CC1,YYPAAMVVPKXIJT-UHFFFAOYSA-N
-rxn:4:202185:222935,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NC2(C)C)cc1,FEVCIYPXGYQQKV-UHFFFAOYSA-N
-rxn:4:202198:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cccc(CN3CCOC(C(=O)N4CCSCC4)C3)c2)c1,KACGXDOGIFTIKC-UHFFFAOYSA-N
-rxn:4:202208:224392,COc1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,MYXPPNAXSDYJEZ-UHFFFAOYSA-N
-rxn:4:202227:223142,Cc1cc(-c2ccc(C3CCCNC3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,KFRKBLGQZBLDMU-UHFFFAOYSA-N
-rxn:4:202227:225218,Cc1cc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,APGBGUAQDPMQPG-UHFFFAOYSA-N
-rxn:4:202233:226098,CCCCOc1ccc(-c2ccc(N3CCCC(C)C3)nc2C(=O)OC(C)(C)C)cc1C,IMCXEOVRBJSLIP-UHFFFAOYSA-N
-rxn:4:202269:223985,COc1ccc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)cc1S(=O)(=O)N1CCCCC1,FOPYPORIAATOKS-UHFFFAOYSA-N
-rxn:4:202270:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cccc(CN4CCCC(C(=O)N5CCOCC5)C4)c3)c2)c(Cl)c1,QNJREZYFWBQNDE-UHFFFAOYSA-N
-rxn:4:202284:223003,COc1ccc(-c2ccc(Cl)c(C3CCNCC3)c2)cc1CN1CCC(N2CCCC2)CC1,BFACOMGXBVYZSS-UHFFFAOYSA-N
-rxn:4:202284:225876,COc1ccc(-c2cc(Cl)ccc2N2CCOCC2)cc1CN1CCC(N2CCCC2)CC1,AOKVXCOGCNAVRW-UHFFFAOYSA-N
-rxn:4:202284:226778,COc1ccc(-c2cc(OC)c(OC)c(F)c2F)cc1CN1CCC(N2CCCC2)CC1,FPZPKGZVJPMTHP-UHFFFAOYSA-N
-rxn:4:202291:222568,O=C(NCc1ccccc1F)c1ccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)cc1,NSBVNKUSLXXRNW-UHFFFAOYSA-N
-rxn:4:202295:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)c(OC)c2)cc(C2CCCNC2)n1,MCUTVFNKTJLMQK-UHFFFAOYSA-N
-rxn:4:202310:223285,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,NAKZCZFUQTUALV-UHFFFAOYSA-N
-rxn:4:202311:224018,O=C(C1CCN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)CC1)N1CCC(F)(F)CC1,XNJBTZWXJHPQRX-UHFFFAOYSA-N
-rxn:4:202319:224285,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4F)cc3)CC2c2ccccc2Cl)cc1,BFUMTGWWLNZRBB-UHFFFAOYSA-N
-rxn:4:202328:222524,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)CC2)CC1,QUZGXUDCXDIGDF-UHFFFAOYSA-N
-rxn:4:202328:224299,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc([N+](=O)[O-])ccc3[Se]c3ccccc3)CC2)CC1,YBZFINQUKAALNS-UHFFFAOYSA-N
-rxn:4:202328:227505,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(/C=C/[N+](=O)[O-])cc3)CC2)CC1,GYIVOWYYCXFHEG-VXLYETTFSA-N
-rxn:4:202346:224746,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)=NC23CCCCCC3)cc1,NCWYFBJTKFPASK-UHFFFAOYSA-N
-rxn:4:202356:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,GJVKRBLZECKISF-UHFFFAOYSA-N
-rxn:4:202424:223788,CCOC(=O)c1c(C(F)F)nc2c(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc(C)cn12,KZCWFSGBFVSKIB-UHFFFAOYSA-N
-rxn:4:202491:224774,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)c([N+](=O)[O-])cc21,HJDVPYWNRROHON-UHFFFAOYSA-N
-rxn:4:202554:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)C(c3ccccc3Cl)=NCC(=O)N4CC(=O)OC)cn2)CC1,LEEFKVSUUFDKNC-UHFFFAOYSA-N
-rxn:4:202597:222576,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)ccc21,OMILOZIZDBPEMO-UHFFFAOYSA-N
-rxn:4:202654:222758,Cc1cc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)ccc1NC(=O)OC(C)(C)C,PIHPMTCNBDIUGS-UHFFFAOYSA-N
-rxn:4:202674:222707,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cnc21,JQVGSCMDPUXOLU-UHFFFAOYSA-N
-rxn:4:202694:223255,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cccc(C(=O)NOC)c3)ccc21,MJVQMYMTTIDBQS-UHFFFAOYSA-N
-rxn:4:202696:222935,COc1cccc(N2C(=NC(=O)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)SC3CS(=O)(=O)CC32)c1,FOHYVAWBYGSGQA-UHFFFAOYSA-N
-rxn:4:202703:226550,CCCOc1c(F)cc(-c2ccc3c(c2)C(=C2SC(=S)N(CC4CCCO4)C2=O)C(=O)N3CCC)cc1F,NUIUBSGCNONWDA-UHFFFAOYSA-N
-rxn:4:202711:226062,CC(C)c1cc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)cc(C(C)C)c1,GQDJDBXZICPBHF-RXFWQSSRSA-N
-rxn:4:202712:227889,COCCc1ccccc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,QDJMUMFWKSNGIM-QFIPXVFZSA-N
-rxn:4:202714:223882,Cc1cccc2c1cc(-c1ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c1)n2C(=O)OC(C)(C)C,PCUMPVUAPURPDM-UHFFFAOYSA-N
-rxn:4:202719:224758,O=C(c1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccccc34)cc2)cc1Cl)N1CCOCC1,KKUQTENEFGPMCL-UHFFFAOYSA-N
-rxn:4:202753:225991,COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(-c4cc(C(F)(F)F)nn4CC(C)C)cc3)c3ccccc32)c1,QJOGKJKXMGDULF-UHFFFAOYSA-N
-rxn:4:202807:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,VGYOXUDSPDKYPP-UHFFFAOYSA-N
-rxn:4:202812:222811,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)ccc2OC3c2ccccc2)cc1,UUVGOELCQMLAJN-UHFFFAOYSA-N
-rxn:4:202819:222638,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)ccc2OC3c2ccc(C(C)C)cc2)cc1,XHXPBOAOWRGKDA-UHFFFAOYSA-N
-rxn:4:203022:223527,Cc1cc([N+](=O)[O-])cc(CC#N)c1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,XVICMNXYXRDCDR-UHFFFAOYSA-N
-rxn:4:203302:223497,COC(=O)c1nc(C(C)C)ncc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,PHTYPUPCARLLCE-UHFFFAOYSA-N
-rxn:4:203460:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OC2CCCC2)c([N+](=O)[O-])c1,RRPSDECFKIKPMT-UHFFFAOYSA-N
-rxn:4:203510:223971,CC1CCN(c2cc(-c3ccc(CN4CCC(C#N)CC4)o3)cc(C(F)(F)F)c2)CC1,BUEZDJCWHZMHSS-UHFFFAOYSA-N
-rxn:4:203638:222514,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SNXFKCLPNYYORH-UHFFFAOYSA-N
-rxn:4:203708:225727,CCOC(=O)c1ccc(OC)c(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c1,RVYWONUNGSIBSI-UHFFFAOYSA-N
-rxn:4:203712:224976,N#Cc1c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cccc1N1CCCCC1,VRTXGUKHJMTBHL-UHFFFAOYSA-N
-rxn:4:203712:224977,N#Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1N1CCCCC1,UABWNJHAVDDXFM-UHFFFAOYSA-N
-rxn:4:203712:226336,N#Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c(Cl)cc1C1CC1,MZJHDPPBTCPDHW-UHFFFAOYSA-N
-rxn:4:203731:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,IOWZBMIWAPESBN-UHFFFAOYSA-N
-rxn:4:203835:222583,CS(=O)(=O)N1N=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1c1ccco1,UNOSCWLCMWCLFO-UHFFFAOYSA-N
-rxn:4:203881:222716,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)CC1,CDRQQWYEODALAL-UHFFFAOYSA-N
-rxn:4:203881:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1,VCUYHEJUQMRIAZ-UHFFFAOYSA-N
-rxn:4:203884:223993,Cc1cc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,IWYIYNAINHMJBS-UHFFFAOYSA-N
-rxn:4:203894:223784,CCN1CCN(CCOc2ccc(-c3cccc(CS(=O)(=O)N4CCN(C)CC4)c3)cc2F)CC1,LXBSKCNEHKFUTA-UHFFFAOYSA-N
-rxn:4:203895:222742,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1,VVLYLUMYUKBJFX-UHFFFAOYSA-N
-rxn:4:203903:225008,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(OC)CC4)cc3)cc2F)CC1,FFOSFBCFAZBVAF-UHFFFAOYSA-N
-rxn:4:203909:225048,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)CC3)cc2C)CC1,YQTLCFORUHNBGZ-UHFFFAOYSA-N
-rxn:4:203934:225050,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCC(C)CC2)c1,DJKSRVBQRROJGU-UHFFFAOYSA-N
-rxn:4:203935:225050,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)cc(N2CCC(C)CC2)c1,XKZMBWRKEHFETC-UHFFFAOYSA-N
-rxn:4:203987:228292,O=C(c1cc(-c2ccnc3c2OCCO3)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,GCCATGXTSWFYGE-UHFFFAOYSA-N
-rxn:4:204011:225118,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)ccc1OC(C)C,IBBCCXWTFJMNGZ-UHFFFAOYSA-N
-rxn:4:204035:225517,CN(C)CCCOc1cccc(-c2ccc(C(F)(F)F)c(N3CCC(N(C)C)CC3)c2)c1,UHAWFTRENHERBC-UHFFFAOYSA-N
-rxn:4:204102:224255,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)cc2C)CC1,BAFZCNCTPPUJPM-UHFFFAOYSA-N
-rxn:4:204106:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCCC(c5ccc(F)cc5)C4)c3)cc2)CC1,CDZXMZXSMKXEQA-UHFFFAOYSA-N
-rxn:4:204108:224686,O=C(c1ccc(-c2cncc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)c2)c(F)c1)N1CCCCC1,IMUGBLMSKZWPIK-UHFFFAOYSA-N
-rxn:4:204123:224317,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)cc3)CC2)cc1,XDRRRSMRCDFKRB-UHFFFAOYSA-N
-rxn:4:204134:223289,CNS(=O)(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,GBPALFSSAWFUDE-UHFFFAOYSA-N
-rxn:4:204155:224378,Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,ACLNMZLTEXBWPR-UHFFFAOYSA-N
-rxn:4:204156:224350,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)c1,MSZZEQLUELMPST-UHFFFAOYSA-N
-rxn:4:204157:224350,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,HGJFDOBNRBEJNZ-UHFFFAOYSA-N
-rxn:4:204165:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc1,PZXGNQSKTHGCLT-UHFFFAOYSA-N
-rxn:4:204172:223084,CC1CCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCCC2)CC1,BIGFXLHAWFFSLI-UHFFFAOYSA-N
-rxn:4:204174:225834,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(N5CCCCC5)ncc4F)cc3C)CC2)cc1Cl,HXKBTNPQYYHICH-UHFFFAOYSA-N
-rxn:4:204174:225947,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCN(C)CC5)nc4)cc3C)CC2)cc1Cl,FCVMSIWGTPVVNY-UHFFFAOYSA-N
-rxn:4:204174:225975,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCOCC5)c4Cl)cc3C)CC2)cc1Cl,GDJVLBUZGPNVFQ-UHFFFAOYSA-N
-rxn:4:204174:225976,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCOCC5)c4F)cc3C)CC2)cc1Cl,CFFXRFDEZIJKIW-UHFFFAOYSA-N
-rxn:4:204174:225977,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(Cl)cnc4N4CCOCC4)cc3C)CC2)cc1Cl,VQQSZRFJMSFREN-UHFFFAOYSA-N
-rxn:4:204174:225978,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCOCC5)nc4F)cc3C)CC2)cc1Cl,QXPOGJXOHXEBCZ-UHFFFAOYSA-N
-rxn:4:204174:225979,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCOCC5)c(Cl)c4)cc3C)CC2)cc1Cl,XQLUSSLJMTZSEO-UHFFFAOYSA-N
-rxn:4:204174:226007,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(F)c(OCC(F)(F)F)c4)cc3C)CC2)cc1Cl,UWDCMZHHVWXPCS-UHFFFAOYSA-N
-rxn:4:204180:225975,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccnc(N5CCOCC5)c4Cl)c(C)cc3C)CC2)c(C)c1,WQXVCWLIYFMYNI-UHFFFAOYSA-N
-rxn:4:204180:225976,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)c(C)cc3C)CC2)c(C)c1,LRAGXXGLYQCONA-UHFFFAOYSA-N
-rxn:4:204182:225947,Cc1cc(-c2cnc(N3CCN(C)CC3)nc2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,FTNJHRCFJNLAJP-UHFFFAOYSA-N
-rxn:4:204183:225947,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cnc(N4CCN(C)CC4)nc3)CC2)c(C)c1,RIVRIJPWNVIAKS-UHFFFAOYSA-N
-rxn:4:204184:225947,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cnc(N2CCN(C)CC2)nc1,IGRNUKJGCLCPTF-UHFFFAOYSA-N
-rxn:4:204265:223541,CCOC(=O)c1cc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)[nH]cc-2n1,VDXQMNQVWBWUNF-UHFFFAOYSA-N
-rxn:4:204357:223559,CC(=O)Oc1cc2cnn(C(C)=O)c2cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,UAXXAUASVXSZOH-UHFFFAOYSA-N
-rxn:4:204475:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)c2)CC1,PKYPQRMTJDNCAW-UHFFFAOYSA-N
-rxn:4:204475:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nc(Cl)cc3ccn(C(=O)OC(C)(C)C)c23)cc1,JVHLEDORFNVQHY-UHFFFAOYSA-N
-rxn:4:204491:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2c(C(=O)OC(C)(C)C)nc3n2CCC3)cc1,SRZATXYNTYWRHM-UHFFFAOYSA-N
-rxn:4:204545:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc4c(C)nn(C(=O)OC(C)(C)C)c34)cc21,RTUVDEFPJHTQTQ-UHFFFAOYSA-N
-rxn:4:204600:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1,FNRYXRHEBJYAQB-UHFFFAOYSA-N
-rxn:4:204601:223771,COc1ccc2c(c1)cc(-c1cnc3c(c1)CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,YCCLUZKDIJNESU-UHFFFAOYSA-N
-rxn:4:204605:223776,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc21,YVTDGRQGBWQNIK-UHFFFAOYSA-N
-rxn:4:204645:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC(=O)N3CCN4CCC3CC4)cc2)ccc1Cl,HTOKKJFSVRJERO-UHFFFAOYSA-N
-rxn:4:204680:225113,CC(C)(C)OOC(=O)c1cccc(-c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)CC3)c1,SOJDYKICKIHVCY-UHFFFAOYSA-N
-rxn:4:204682:222468,Cc1cc2c(c(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)n1)CN(C(=O)OC(C)(C)C)CC2,RFNFYQFAACIPKF-UHFFFAOYSA-N
-rxn:4:204683:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,AVGFAXVOBUEAJW-UHFFFAOYSA-N
-rxn:4:204683:224967,COC(=O)c1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc(C(C)(C)C)c1,ZWWYTRHQFPDISP-UHFFFAOYSA-N
-rxn:4:204694:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)cc1,QLTBMPLAPSPVJK-UHFFFAOYSA-N
-rxn:4:204739:224306,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)cc32)SC1=S,AKDBCPBWUIAJIY-UHFFFAOYSA-N
-rxn:4:204756:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,ZLZFUDFIEXRZLV-UHFFFAOYSA-N
-rxn:4:204780:226484,COCCOc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,DPVPGOLGTMLBSP-UHFFFAOYSA-N
-rxn:4:204791:223593,COc1ccccc1N1C(=O)N(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)C2CS(=O)(=O)CC21,JFKJPBNJHSPGAG-UHFFFAOYSA-N
-rxn:4:204791:223813,COc1ccccc1N1C(=O)N(c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c2)C2CS(=O)(=O)CC21,XNBNRODVONEWKV-UHFFFAOYSA-N
-rxn:4:204798:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,LLHUYXHZZRNAAS-UHFFFAOYSA-N
-rxn:4:204804:222423,COc1c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HWQATWAYMLYAFG-UHFFFAOYSA-N
-rxn:4:204804:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cnc1N1CCC(C)CC1,HLKRITJHXLNSRU-UHFFFAOYSA-N
-rxn:4:204804:228333,COc1nccc(SC)c1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,TZCVTUUXELDIEO-UHFFFAOYSA-N
-rxn:4:204817:223998,Cc1ccccc1N1C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)c2ccccc2S1(=O)=O,FFSWQOQRWHYMSV-UHFFFAOYSA-N
-rxn:4:204831:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)cc3)cn2)CC1,WRERMKQMVMJBKT-UHFFFAOYSA-N
-rxn:4:204872:222436,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cccc(C(=O)Nc6cccc(OC(F)(F)F)c6)c5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,BDMRMVUGXMMZDR-UHFFFAOYSA-N
-rxn:4:204874:225054,CC1CCCCN1c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)c(Cl)c1,JTWHOWMKVBWOTP-UHFFFAOYSA-N
-rxn:4:204914:223605,CC(C)(C)OC(=O)N1CCCc2[nH]c3cc(-c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)ccc3c2C1,MIOFFHPWLIQICT-UHFFFAOYSA-N
-rxn:4:204955:223280,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCNC5)nc4)ccc2OC3C2CCCCC2)cc1,DLCFOSJCOBOCNB-UHFFFAOYSA-N
-rxn:4:205232:223504,COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(OC)nn1,XNGCRQYQCAMZLH-UHFFFAOYSA-N
-rxn:4:205823:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-n4ccnc4)c(C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,UTCBSZOMLOURNZ-UHFFFAOYSA-N
-rxn:4:205958:223755,CC1CCN(CCCOc2ccc(-c3cc(N4CC(F)(F)C4)ccc3[N+](=O)[O-])cc2F)CC1,NOEGZBUBOYSXEG-UHFFFAOYSA-N
-rxn:4:206159:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]c(C(=O)N4CCOCC4)c3)cc2Cl)CC1,GZMCBBFNWDNVIG-UHFFFAOYSA-N
-rxn:4:206233:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCC(F)C4)ccc3F)c2)CC1,MYNMFOAVMUAHPU-UHFFFAOYSA-N
-rxn:4:206431:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)c(C(=O)N3CCOCC3)c2)CC1,HMLYSZKNVSFTQD-UHFFFAOYSA-N
-rxn:4:206445:224015,Cc1cc(F)c(-c2cc(Cl)cnc2C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,OOFGVLFSENJABU-UHFFFAOYSA-N
-rxn:4:206492:223815,COc1nc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cn1C1CCCOC1,FDIMHFNFCQXJLQ-UHFFFAOYSA-N
-rxn:4:206594:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(CN3CCN(C)C3=O)c2)CC1,TVJNBRYITCRBBV-UHFFFAOYSA-N
-rxn:4:206684:223712,COc1ccc(-c2nc(CN3CCCCC3)ccc2F)cc1C12CC3CC(CC(C3)C1)C2,MCDGVMWSYJARAD-UHFFFAOYSA-N
-rxn:4:206694:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccc(C4CCCN4S(C)(=O)=O)n3)cc2)CC1,STNYYYYIJPQFGL-UHFFFAOYSA-N
-rxn:4:206757:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCCC(C(F)(F)F)C4)c(Cl)c3)c2)CC1,XKZDCONQJCANAB-UHFFFAOYSA-N
-rxn:4:206776:223972,CC1CCCCN1c1ccc(-c2cc(C(=O)N3CCCCC3)n(C)c2)c(C(F)(F)F)c1,XFQLJTKWFVGMTM-UHFFFAOYSA-N
-rxn:4:206782:222610,CC(C)c1nc(N2CCOCC2)sc1-c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,PRRSDAVMVYVPFL-UHFFFAOYSA-N
-rxn:4:206793:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1,HLPCKKSQRXBVQE-UHFFFAOYSA-N
-rxn:4:206797:222582,CS(=O)(=O)N1CCOC(c2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,XXWJOEBAUPSRNX-UHFFFAOYSA-N
-rxn:4:206797:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)cn2)CC1,GLHMKNNOQLWGJK-UHFFFAOYSA-N
-rxn:4:206807:225212,CN1CCN(c2cc(F)cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c2)CC1,ABPBMFXTPLMEQU-UHFFFAOYSA-N
-rxn:4:206870:223588,Cc1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GTGAFYKVEMBEGV-UHFFFAOYSA-N
-rxn:4:206873:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)c(Cl)cc3C(=O)N3CCN(C)CC3)ccc2C)CC1,UVZAXOTXVPUKBX-UHFFFAOYSA-N
-rxn:4:206955:223506,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,IAGQGKBXOGHMSM-UHFFFAOYSA-N
-rxn:4:206961:222622,CCC(C)c1cc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cc(C2CCCNC2)n1,IGZVXBHYTBCVEK-UHFFFAOYSA-N
-rxn:4:206970:223527,CC1CCN(c2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2[N+](=O)[O-])CC1,MXFIXQIDIURTES-UHFFFAOYSA-N
-rxn:4:207034:224008,CC(C)c1cc(C2CCCCC2)nc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)n1,SYCZCNJYNPTUDH-UHFFFAOYSA-N
-rxn:4:207058:224732,Cc1cc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,HZTAHBNVAMDXRO-UHFFFAOYSA-N
-rxn:4:207324:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncn(CC(F)(F)F)c(=O)c4c3)c(Cl)c2)CC1,FMOYNJRDTIVLSS-UHFFFAOYSA-N
-rxn:4:207447:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC3CC2CS3)c1,VYOIVZCVFUCJOP-UHFFFAOYSA-N
-rxn:4:207482:222631,CC(C)(C)c1cc(-c2ccc(CC3SC4=NCCN4C3=O)cc2)cc(C2CCNCC2)n1,BZAUHASECSZYLX-UHFFFAOYSA-N
-rxn:4:207730:223748,Cc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc1N1C=C(C#N)S(=O)(=O)c2ccccc21,CAPKOIMTCYEUPT-UHFFFAOYSA-N
-rxn:4:207731:223748,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,RYYLEHDLYXMDOP-UHFFFAOYSA-N
-rxn:4:207732:223748,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1,NLCHNEVWTSDDJA-UHFFFAOYSA-N
-rxn:4:207779:224691,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1)N1CC2(COC2)C1,VAEQOWQYVZDGBS-UHFFFAOYSA-N
-rxn:4:207785:224153,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,RZTNLAMVIMYNPU-UHFFFAOYSA-N
-rxn:4:207818:224753,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)ccc21,NAZVOGXLFSCCGU-UHFFFAOYSA-N
-rxn:4:207846:222560,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(C(=O)NCc4ccccc4)cc3F)ccc21,AALCHAOBYUVIHW-UHFFFAOYSA-N
-rxn:4:207890:224376,Cc1c(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,RVAMAJWASGTKIW-UHFFFAOYSA-N
-rxn:4:209875:223810,Cc1cc(N2CCC(F)CC2)ncc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,GMHSSKCNQNFPFW-UHFFFAOYSA-N
-rxn:4:210689:223712,COc1ccc(-c2cnn(C)c2C23CCCOC2O3)cc1C12CC3CC(CC(C3)C1)C2,SRLZQMSPUYIYAI-UHFFFAOYSA-N
-rxn:4:211096:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCCC3)O4)cn2)CC1,JPMLOMZJMFIZSU-UHFFFAOYSA-N
-rxn:4:211101:226686,Cc1ccc(C2=NN3C(C2)c2cc(-c4c(C)cnn4C4CCCCO4)ccc2OC32CCC(C)CC2)cc1,DGWKDUIBDCAHJL-UHFFFAOYSA-N
-rxn:4:212482:223670,CN1C(=O)COc2c1cnc1cc(F)c(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,BBRHMHWUMIFPBQ-UHFFFAOYSA-N
-rxn:4:212529:225364,Cc1cc(F)c(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)cc1S(=O)(=O)N(C)C,NQSCVFMIHZJGTQ-UHFFFAOYSA-N
-rxn:4:212568:222437,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1,COAKXRYPTQHERW-UHFFFAOYSA-N
-rxn:4:212568:222467,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccccc12,XOWBJZMJIPYAHA-UHFFFAOYSA-N
-rxn:4:212568:222486,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1,AILPYXGEXZVRPX-UHFFFAOYSA-N
-rxn:4:212568:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)cc1,UYAAAXRQWPIYJP-UHFFFAOYSA-N
-rxn:4:212568:222508,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)ccc2Cl)cc1,HSLOTWKREQKALI-UHFFFAOYSA-N
-rxn:4:212568:222574,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)NCc3ccccc3)ccc2Cl)cc1,UQRDHZUNZKLROB-UHFFFAOYSA-N
-rxn:4:212568:222576,Cc1c(Cl)cccc1NC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AGQPODHAWCCTHM-UHFFFAOYSA-N
-rxn:4:212568:222599,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)cc1,OACLUVDJXSOWBZ-UHFFFAOYSA-N
-rxn:4:212568:222600,CC(C)(C)OC(=O)Nc1nc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2s1,ICJCFJMLZLKQRH-UHFFFAOYSA-N
-rxn:4:212568:222604,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC1CCCC1,VWMOSUPAIZPIRW-UHFFFAOYSA-N
-rxn:4:212568:222615,CC(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)c1,YXTRUMIZFAKQRL-UHFFFAOYSA-N
-rxn:4:212568:222695,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC1CCCC1,RCLKMTVIQQVWPM-UHFFFAOYSA-N
-rxn:4:212568:222743,CC(c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)N1CCC(O)CC1,HSJRXALMHYPLEC-UHFFFAOYSA-N
-rxn:4:212568:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DQCVXJGOTMGLFN-UHFFFAOYSA-N
-rxn:4:212568:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HRJIMBPSYTVRBC-UHFFFAOYSA-N
-rxn:4:212568:222795,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NC(=O)N3CCOCC3)cc2)cc1,PWMACDACYLAEMS-UHFFFAOYSA-N
-rxn:4:212568:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KBLZMQDXGLSAAW-UHFFFAOYSA-N
-rxn:4:212568:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OHKHRWKBPBCDPZ-UHFFFAOYSA-N
-rxn:4:212568:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,QXFOVYCQVXDRJB-UHFFFAOYSA-N
-rxn:4:212568:222839,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(NCC3CCCCC3)nc2)cc1,ULMIVRLKBWNVTQ-UHFFFAOYSA-N
-rxn:4:212568:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LAMFFLWCKBYGDY-UHFFFAOYSA-N
-rxn:4:212568:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MKWSXVJAJVOQAQ-UHFFFAOYSA-N
-rxn:4:212568:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,SWLXALOGOAEAFK-UHFFFAOYSA-N
-rxn:4:212568:222889,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(CN3CCNCC3)c2)cc1,INTDFIJEBBOORD-UHFFFAOYSA-N
-rxn:4:212568:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XTFZCOIINZFTEF-UHFFFAOYSA-N
-rxn:4:212568:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccn1,LTVZPXHDPCTPOB-UHFFFAOYSA-N
-rxn:4:212568:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JLUHBAJQTSXUOL-UHFFFAOYSA-N
-rxn:4:212568:222966,CC(C)(C)CNCc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FKMOUMSZVLFJSY-UHFFFAOYSA-N
-rxn:4:212568:223006,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1,LHQXGCDBAHPFRG-UHFFFAOYSA-N
-rxn:4:212568:223044,CC(C)NC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,VNPMSCZSSHVXBD-UHFFFAOYSA-N
-rxn:4:212568:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WHPRNETWVUFMQO-UHFFFAOYSA-N
-rxn:4:212568:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DVIDAOKRUOHAAL-UHFFFAOYSA-N
-rxn:4:212568:223083,Cc1nc(N2CCC(O)C2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SLTFTHIRRWKVPM-UHFFFAOYSA-N
-rxn:4:212568:223123,CC(C)C(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,KQYUGNYLJUDSHY-UHFFFAOYSA-N
-rxn:4:212568:223139,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2)cc1,DWCNZJHLVUHPPD-UHFFFAOYSA-N
-rxn:4:212568:223151,N#CCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ORAPBGJSUWEBOY-UHFFFAOYSA-N
-rxn:4:212568:223153,CCNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,PZJQLZGHOHLDEB-UHFFFAOYSA-N
-rxn:4:212568:223156,CCNC(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CENKWFPPMOHLGX-UHFFFAOYSA-N
-rxn:4:212568:223157,CCNC(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VOCBUGDQEPRQSL-UHFFFAOYSA-N
-rxn:4:212568:223160,CCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,HNLHRUGNBXDFQQ-UHFFFAOYSA-N
-rxn:4:212568:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,GQRVKEZHNNZGAS-UHFFFAOYSA-N
-rxn:4:212568:223216,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1,HEOUZZPAKXDEPN-UHFFFAOYSA-N
-rxn:4:212568:223222,CC(=O)NCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,BWPLTTGIHZBPGN-UHFFFAOYSA-N
-rxn:4:212568:223231,CNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,KJYWBUPIDYSCFR-UHFFFAOYSA-N
-rxn:4:212568:223260,CNC(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YHXZYIYWJBKLOG-UHFFFAOYSA-N
-rxn:4:212568:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2[N+](=O)[O-])CC1,GRJSVWVYJHBNOT-UHFFFAOYSA-N
-rxn:4:212568:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,VBYDWFBHBOZCDM-UHFFFAOYSA-N
-rxn:4:212568:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,IXGNRNKTYVHXRE-UHFFFAOYSA-N
-rxn:4:212568:223597,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,IGCDYRBMNVSPMX-UHFFFAOYSA-N
-rxn:4:212568:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,CDNFBKQOLJZBHR-UHFFFAOYSA-N
-rxn:4:212568:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,NXMSNKYVRQQLDW-UHFFFAOYSA-N
-rxn:4:212568:223744,CCCCOc1c(C)cccc1-c1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KWKUFSFNJLVSFP-UHFFFAOYSA-N
-rxn:4:212568:223786,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,VMFJBMOROFJUNZ-UHFFFAOYSA-N
-rxn:4:212568:223794,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)cc1,PSLSMMGDOKGQLU-UHFFFAOYSA-N
-rxn:4:212568:223831,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCC(C)CC1,MIOVNZMWTOFYLG-UHFFFAOYSA-N
-rxn:4:212568:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,YDLYYRPCPUCXSM-OGESRWMOSA-N
-rxn:4:212568:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)C1,JHNRYWODBNJDDI-UHFFFAOYSA-N
-rxn:4:212568:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,XSKNYOOSUIFDHV-UHFFFAOYSA-N
-rxn:4:212568:223926,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1,IWVVGQNGOOVKSS-UHFFFAOYSA-N
-rxn:4:212568:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,FIAQZEZZSATZTH-UHFFFAOYSA-N
-rxn:4:212568:223933,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cc(F)ccc21,SHECVOGKAJIPOC-UHFFFAOYSA-N
-rxn:4:212568:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,RSEZEQFHYIWQEO-UHFFFAOYSA-N
-rxn:4:212568:223949,CN(C)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OCc2ccccc2)n1,RJWOAQZNLLMOHE-UHFFFAOYSA-N
-rxn:4:212568:223954,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1,JPMHASZVFPSTKR-UHFFFAOYSA-N
-rxn:4:212568:223956,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)cc1,NBFNZYATQXLIQB-UHFFFAOYSA-N
-rxn:4:212568:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BJQNNVKSGUJZAI-UHFFFAOYSA-N
-rxn:4:212568:223997,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,COOOSMQUIWMXNF-UHFFFAOYSA-N
-rxn:4:212568:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,XOIUZBVRGXCZRB-UHFFFAOYSA-N
-rxn:4:212568:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,OOVAWVSPECEPKX-UHFFFAOYSA-N
-rxn:4:212568:224197,CCN1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,QESQDUYCOVYFNA-UHFFFAOYSA-N
-rxn:4:212568:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,XCLDCODAUNALEA-UHFFFAOYSA-N
-rxn:4:212568:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,MARHIULLMVKTGP-UHFFFAOYSA-N
-rxn:4:212568:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,IICZVIARVJNMRN-UHFFFAOYSA-N
-rxn:4:212568:224384,Cc1cnn(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C(F)(F)F)c2)c1,WAJMZZLEGIUHBT-UHFFFAOYSA-N
-rxn:4:212568:224393,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,YJGJKCIGGWAMJJ-UHFFFAOYSA-N
-rxn:4:212568:224395,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1,ZKBXDYUOGLCWGG-UHFFFAOYSA-N
-rxn:4:212568:224400,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1,DGSUZOWPLKSWFK-UHFFFAOYSA-N
-rxn:4:212568:224458,CC1CCN(C(C)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,DAGQUWMBVMZYFK-UHFFFAOYSA-N
-rxn:4:212568:224460,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)cc(N3CCCCC3)c2)cc1,ONVINZRLSFYUOT-UHFFFAOYSA-N
-rxn:4:212568:224587,CC1CCN(Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,APUHOKMSQQHWGO-UHFFFAOYSA-N
-rxn:4:212568:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,DVHCIAZZPRCLGK-UHFFFAOYSA-N
-rxn:4:212568:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QRCZZTQYFVUIAK-UHFFFAOYSA-N
-rxn:4:212568:224690,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)cc1,PIYHXUSHGGNTDR-UHFFFAOYSA-N
-rxn:4:212568:224703,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)cc1,WWVFXCQLPBXZEU-UHFFFAOYSA-N
-rxn:4:212568:224751,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)cc1,YTKAQJMQXZIZQT-UHFFFAOYSA-N
-rxn:4:212568:224778,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cc(OC3CCOCC3)cc2F)cc1,BUHFVUQLZGAQEM-UHFFFAOYSA-N
-rxn:4:212568:224791,CC(C)OC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c([N+](=O)[O-])c1,CVGSBWMRYKIWBN-UHFFFAOYSA-N
-rxn:4:212568:224826,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C(F)(F)F,PGVWQQIBPVTNJD-UHFFFAOYSA-N
-rxn:4:212568:224884,CC1CCN(Cc2cccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,POAVUVKGGYCLMK-UHFFFAOYSA-N
-rxn:4:212568:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,IGKZFPXFFIWGEH-UHFFFAOYSA-N
-rxn:4:212568:225156,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)N3CCCC3)ccc2F)cc1,ZBGVMFWCFYTHAT-UHFFFAOYSA-N
-rxn:4:212568:225233,CC1CCCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc2Cl)C1,PNHCPCZKYPMLDL-UHFFFAOYSA-N
-rxn:4:212568:225234,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)c(F)c2F)cc1,ZHRSHQRGLVIEMD-UHFFFAOYSA-N
-rxn:4:212568:225281,CC(C)(C)OC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)n1,AIIVUFKSFDDCOU-UHFFFAOYSA-N
-rxn:4:212568:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FTIFCARUQUZPBG-UHFFFAOYSA-N
-rxn:4:212568:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CVEIJDFVXADTQF-UHFFFAOYSA-N
-rxn:4:212568:225290,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,MZUQEJXPTUSDIX-UHFFFAOYSA-N
-rxn:4:212568:225319,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc1,GVLCLIIQOFVIHR-UHFFFAOYSA-N
-rxn:4:212568:225329,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)(F)F)c(C#N)c2)cc1,ROYSRWUTICKCGV-UHFFFAOYSA-N
-rxn:4:212568:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DPHMEXMOWWJCCO-UHFFFAOYSA-N
-rxn:4:212568:225359,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)cc1OC,MHANOXNSAPLWCL-UHFFFAOYSA-N
-rxn:4:212568:225437,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(CN3CCCCC3)c2)cc1,PBOVLPRBYVYUAF-UHFFFAOYSA-N
-rxn:4:212568:225552,CCN(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CC2)n1,NFNAPFBJWJTFBE-UHFFFAOYSA-N
-rxn:4:212568:225591,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1,CGDIAZJCAQIZJQ-UHFFFAOYSA-N
-rxn:4:212568:225639,CC1CCN(c2ncccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,IGJSNADKVTVSJL-UHFFFAOYSA-N
-rxn:4:212568:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KUNVKUMQXLLPQD-UHFFFAOYSA-N
-rxn:4:212568:225761,CC(C)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c([N+](=O)[O-])c1,UEOJJCDUDOQXNG-UHFFFAOYSA-N
-rxn:4:212568:225771,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1OC(C)C,KYGUZWRHQFRRNH-UHFFFAOYSA-N
-rxn:4:212568:225794,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCCCC3)nc2)cc1,HKOWYFMNALYODK-UHFFFAOYSA-N
-rxn:4:212568:225806,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1,TYKOULUNIQXVLD-UHFFFAOYSA-N
-rxn:4:212568:225813,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(F)c(OC(C)C)c1F,BMXSUXAMYCTLRH-UHFFFAOYSA-N
-rxn:4:212568:225815,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC3)cc2C(F)(F)F)cc1,JZTLPKCFBISNPO-UHFFFAOYSA-N
-rxn:4:212568:225817,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc1,KZYJRTMNJJDUSD-UHFFFAOYSA-N
-rxn:4:212568:225823,CC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1,UQZFLKHXIUVYPR-UHFFFAOYSA-N
-rxn:4:212568:225829,CC1CCN(c2ncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,OMKMAQXONPLFRT-UHFFFAOYSA-N
-rxn:4:212568:225894,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(COCC(F)(F)F)c2)cc1,PHJIBGVTJCBWGJ-UHFFFAOYSA-N
-rxn:4:212568:225940,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1,FHXGKWLVFXXXIJ-UHFFFAOYSA-N
-rxn:4:212568:225988,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1,BSBLSNHUJCNBIG-UHFFFAOYSA-N
-rxn:4:212568:226015,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC(F)(F)F)c1,IOEJXPZDSHJTIW-UHFFFAOYSA-N
-rxn:4:212568:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WHQGVSDXUFUHDP-UHFFFAOYSA-N
-rxn:4:212568:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GRRCAXIXNWBIPG-UHFFFAOYSA-N
-rxn:4:212568:226050,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c(F)cc(OC(F)(F)F)cc2F)cc1,YMWFVLCWSADVRH-UHFFFAOYSA-N
-rxn:4:212568:226098,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,VBNQRFRBANVDTH-UHFFFAOYSA-N
-rxn:4:212568:226121,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(C)C,LAIJEAJZBMBRBQ-UHFFFAOYSA-N
-rxn:4:212568:226226,COCCOCc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,TZXQRPFWLZJHOF-UHFFFAOYSA-N
-rxn:4:212568:226231,CCCCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,LSQZYGZBMPFQRU-UHFFFAOYSA-N
-rxn:4:212568:226238,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,QURZBVUVZUBFQE-UHFFFAOYSA-N
-rxn:4:212568:226241,COC(=O)CCc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YXQWFZCLJZDYSA-UHFFFAOYSA-N
-rxn:4:212568:226253,CCCOc1cc(OC)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PCZPXXRNARILBP-UHFFFAOYSA-N
-rxn:4:212568:226259,CCCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,DDOLFXRIYWZNQA-UHFFFAOYSA-N
-rxn:4:212568:226282,CC(C)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,SIULKIVSGSLUKJ-UHFFFAOYSA-N
-rxn:4:212568:226298,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2OCC2CC2)cc1,STUGQNMMQYTZDV-UHFFFAOYSA-N
-rxn:4:212568:226441,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCC3)cc2F)cc1,GEWZUMBTELBUOT-UHFFFAOYSA-N
-rxn:4:212568:226452,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3OCCCO3)cc2)cc1,YXCRDRVSOIFREY-UHFFFAOYSA-N
-rxn:4:212568:226469,CN1C(=O)COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc21,VOGBUEXXJOEARE-UHFFFAOYSA-N
-rxn:4:212568:226478,COc1ccc(OCC#N)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,WTBFXZFYJIXWKX-UHFFFAOYSA-N
-rxn:4:212568:226492,COCCOc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZDEUVDRHHLBUAY-UHFFFAOYSA-N
-rxn:4:212568:226501,CCOC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C,ANLFKVJGNNHBHY-UHFFFAOYSA-N
-rxn:4:212568:226504,CON(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,WJYFTOZFYKJDQG-UHFFFAOYSA-N
-rxn:4:212568:226511,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cnc2OCC2CC2)cc1,NEEKJCNWZFNXJV-UHFFFAOYSA-N
-rxn:4:212568:226516,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(=O)OC)n1,JUMQZJQNMUSFDD-UHFFFAOYSA-N
-rxn:4:212568:226526,COC(=O)c1ccc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AZAPDQBVVCTJQY-UHFFFAOYSA-N
-rxn:4:212568:226567,COC(=O)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,DTNBKHFVXHHACK-UHFFFAOYSA-N
-rxn:4:212568:226605,CC(C)Oc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,IFBVNANWBMMZHI-UHFFFAOYSA-N
-rxn:4:212568:226723,COC(=O)c1cnc(OC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZAUGGZCIZSAUDV-UHFFFAOYSA-N
-rxn:4:212568:226737,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(C#N)c2)cc1,VVFZHSYUOVEDDS-UHFFFAOYSA-N
-rxn:4:212568:226752,COc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cccc1C(F)(F)F,CNECODARGZYYAN-UHFFFAOYSA-N
-rxn:4:212568:226772,COC(=O)c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,OQFGLIAFGQHGAV-UHFFFAOYSA-N
-rxn:4:212568:226851,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)cn1,LKIIQKQVHRLFER-UHFFFAOYSA-N
-rxn:4:212568:226856,COc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WUHYETCUYXZKRO-UHFFFAOYSA-N
-rxn:4:212568:226888,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)c(F)c(C(F)(F)F)c2)cc1,UMOZHHKZGMCDAE-UHFFFAOYSA-N
-rxn:4:212568:226994,CCCOc1ccc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FPBOQVAPGDLWRH-UHFFFAOYSA-N
-rxn:4:212568:227011,CC(C)OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,FRDZRLGDBQWMRC-UHFFFAOYSA-N
-rxn:4:212568:227049,CCOc1c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C,LBNCDIGZURQKOF-UHFFFAOYSA-N
-rxn:4:212568:227051,CCC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1,MFQYJTDIOXYNOE-UHFFFAOYSA-N
-rxn:4:212568:227068,CC(C)Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,HWHLZHXZRWXKSE-UHFFFAOYSA-N
-rxn:4:212568:227214,N#CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,SCFSKZNPJRERDB-UHFFFAOYSA-N
-rxn:4:212568:227247,CCCOc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BNSPWUKMLSOKQX-UHFFFAOYSA-N
-rxn:4:212568:227258,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,OPRAZLZPVZPUKC-UHFFFAOYSA-N
-rxn:4:212568:227261,CCCOc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZBOFFXYYUWKQQR-UHFFFAOYSA-N
-rxn:4:212568:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LNIPQQCIPHCRJA-UHFFFAOYSA-N
-rxn:4:212568:227297,CN(C)Cc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FFFTXVVHAQFRPX-UHFFFAOYSA-N
-rxn:4:212568:227302,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1OC(C)C,MYEUFNDWIJUGNP-UHFFFAOYSA-N
-rxn:4:212568:227303,CN(C)Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,CYWAHEGPLNLXBC-UHFFFAOYSA-N
-rxn:4:212568:227308,CN(C)Cc1ccc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,PEHLBACIGTUHFF-UHFFFAOYSA-N
-rxn:4:212568:227334,CC(C)Oc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,HCGQKKYFTQGJIK-UHFFFAOYSA-N
-rxn:4:212568:227366,CC(C)Oc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,INFVKRXCMHUTAW-UHFFFAOYSA-N
-rxn:4:212568:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LYZQGMIXDGVMDH-UHFFFAOYSA-N
-rxn:4:212568:227472,CCCOc1ncc(Cl)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SGWJBMGTZIOELG-UHFFFAOYSA-N
-rxn:4:212568:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HBAOYSXNDLJXLR-UHFFFAOYSA-N
-rxn:4:212568:227546,COC(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,CZPPLUJXPYEVRZ-UHFFFAOYSA-N
-rxn:4:212568:227555,CCOc1c(Cl)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,HYFVPGZOIFBGLG-UHFFFAOYSA-N
-rxn:4:212568:227594,COC(=O)c1c(Cl)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FKXONPKBAMMKNK-UHFFFAOYSA-N
-rxn:4:212568:227654,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3OCCO3)nc2)cc1,YFNKWNKNAUDXEC-UHFFFAOYSA-N
-rxn:4:212568:227668,COc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)c1F,OZPLCIZQHUIEPS-UHFFFAOYSA-N
-rxn:4:212568:227672,Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C(F)(F)F,MKRBQOXNQYSZML-UHFFFAOYSA-N
-rxn:4:212568:227676,COc1c(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1Cl,AMIAJTMMHBROKP-UHFFFAOYSA-N
-rxn:4:212568:227772,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(OC(F)(F)F)c2)cc1,QXHKPOYIWPDTRS-UHFFFAOYSA-N
-rxn:4:212568:227779,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc([N+](=O)[O-])cc(F)c2F)cc1,ZWQGAHRPBQZGJT-UHFFFAOYSA-N
-rxn:4:212568:228499,Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FMQCGDJBRQCSNB-UHFFFAOYSA-N
-rxn:4:212568:228502,Cn1cc(C(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)n1,MMDRSNKQWOBRJI-UHFFFAOYSA-N
-rxn:4:212592:225227,CC1CCN(c2ncc(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cc2Cl)CC1,MYKZJJDXWHXBRR-UHFFFAOYSA-N
-rxn:4:212607:224718,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,CZMYDKUVZUNXIR-UHFFFAOYSA-N
-rxn:4:212631:224594,CC(=O)N1CCCCC1c1ccccc1-c1cncc(C(=O)N2CCC(COc3ncccc3C(F)(F)F)CC2)c1,NXLGQALGVNCWQE-UHFFFAOYSA-N
-rxn:4:212644:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)cc1,RZWZSDRMUGBXAT-UHFFFAOYSA-N
-rxn:4:212650:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1,QDXHIKXXNUGWDK-UHFFFAOYSA-N
-rxn:4:212650:227218,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,LKQOIDMNNPAKHO-UHFFFAOYSA-N
-rxn:4:212664:224746,COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)CC1,WWUJADDCXOXHHH-UHFFFAOYSA-N
-rxn:4:212711:226001,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)o3)CC2)nn1,QPUDALQSHPSDIX-UHFFFAOYSA-N
-rxn:4:212755:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C#N)cc23)c1,UDCDAPUFJAEDKE-UHFFFAOYSA-N
-rxn:4:212771:225882,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(Cl)c(C4CCOCC4)c3)cc2s1,JNXQJXBJCCHEGX-UHFFFAOYSA-N
-rxn:4:212771:225984,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2s1,NXPSQAVMSITKBJ-UHFFFAOYSA-N
-rxn:4:212840:224485,Cc1ccc(C2CC(c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)=NN2C(=O)CSc2cn(C)c3ccccc23)cc1,VYCFHGAPLNSSQN-UHFFFAOYSA-N
-rxn:4:212944:223863,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(-c3ccc(OCC(C)C)cc3)cc2)CC1,ZCSGVOUWOXOYKV-UHFFFAOYSA-N
-rxn:4:212949:224153,N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)o3)CC2)nc1,WNQXYFAXPSXALY-UHFFFAOYSA-N
-rxn:4:212989:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)s2)CC1,RIMUTTXFKSHVJS-UHFFFAOYSA-N
-rxn:4:213013:222634,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,PSQMJQLIMMCUKW-UHFFFAOYSA-N
-rxn:4:213022:223697,N#Cc1cccnc1OC1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,YBQIVTCYGSGYMU-UHFFFAOYSA-N
-rxn:4:213038:224819,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c[nH]2)CC1,YWJZSLWWRFTIMR-UHFFFAOYSA-N
-rxn:4:213042:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,OAROKUKDUJLYMG-UHFFFAOYSA-N
-rxn:4:213051:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)o3)c3ccccc23)CC1,RSRUSLWGGHKQFW-UHFFFAOYSA-N
-rxn:4:213052:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,RVKSYXOTSAPLLQ-UHFFFAOYSA-N
-rxn:4:213052:225081,O=C(C1CC(F)(F)C1)N1CCC(COc2ncc(-c3ccc(OC(F)F)c4ccccc34)cn2)CC1,PYYRPOOTEUPYJL-UHFFFAOYSA-N
-rxn:4:213073:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,PVDADFHXNBCENR-UHFFFAOYSA-N
-rxn:4:213080:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QFDKWLDYYUFJDG-UHFFFAOYSA-N
-rxn:4:213096:225975,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccc2C#N)CC1,WBUCPWUVTGNOLF-UHFFFAOYSA-N
-rxn:4:213108:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccccc3CCC(=O)N3CCN(c4ccccn4)C(=O)C3)cn2)CC1,XFBHJQPFNQZITB-UHFFFAOYSA-N
-rxn:4:213113:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)Cc5ccc(Cl)cc5)C4)nc3)cn2)CC1,PXUOSVUPEDTQBL-UHFFFAOYSA-N
-rxn:4:213123:226001,N#Cc1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ccc1OC(F)(F)F,DWCAVCWWCVCDCT-UHFFFAOYSA-N
-rxn:4:213126:224273,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)nc2)CC1,BJTLKJABACZDJQ-UHFFFAOYSA-N
-rxn:4:213126:225829,CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,IYXDIJLWXPLIKN-UHFFFAOYSA-N
-rxn:4:213134:224734,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cn2)CC1,DYJPJQULWMRZAZ-UHFFFAOYSA-N
-rxn:4:213135:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)c2)CC1,XMZARRMLZHKMOO-UHFFFAOYSA-N
-rxn:4:213140:223805,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)cc([N+](=O)[O-])c2)CC1,DEGDDCUCOHGHJL-UHFFFAOYSA-N
-rxn:4:213161:224319,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)CC2)c1,UBJZDKVEBQWAFF-UHFFFAOYSA-N
-rxn:4:213161:225056,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)CC2)c1,PGPZEQQMEKEJSE-UHFFFAOYSA-N
-rxn:4:213162:225575,COC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)cc1C1CC1,RKTPMSBOXVZJGK-UHFFFAOYSA-N
-rxn:4:213191:225379,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)CC1,IDTDMDLICIQACS-UHFFFAOYSA-N
-rxn:4:213192:226353,COc1cc(C2CC2)cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1Cl,CHSGLVGJDOMUFP-UHFFFAOYSA-N
-rxn:4:213202:222948,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCC(O)CC4)nc3Cl)CC2)nn1,CYSBODNRXLOARU-UHFFFAOYSA-N
-rxn:4:213203:222930,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)CC2)nn1,QINVGBJIWQTUEO-UHFFFAOYSA-N
-rxn:4:213211:223917,CN(C(=O)c1cc(F)cc(-c2ccc(C3=NN(C(=O)c4ccccc4)C(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1)C1CCCCC1,MRSKUEFSLBIPQU-UHFFFAOYSA-N
-rxn:4:213220:222704,CC1CN(c2ccc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,YWHLIHDKLPEAED-UHFFFAOYSA-N
-rxn:4:213236:222778,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cncc(CNC(=O)OC(C)(C)C)c4)cn3)C2)cc1C,AYJBBBWXHCAWNN-UHFFFAOYSA-N
-rxn:4:213250:222654,CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C(=O)NC5CCCCC5)c4)cn3)C2)cc1,XUJJMQCZLDZYGD-UHFFFAOYSA-N
-rxn:4:213253:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cnccc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1,DLTDUBHDVIFEIV-UHFFFAOYSA-N
-rxn:4:213268:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,SKRBPMWNMGUTEK-DFBJGRDBSA-N
-rxn:4:213271:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,YGWCNCUZZOEMKC-UHFFFAOYSA-N
-rxn:4:213278:223832,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5OC)cc4)C3)n2)c1,MYZGCYZPMQNMKC-UHFFFAOYSA-N
-rxn:4:213279:224683,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,XQQWGPAIJNTUAJ-UHFFFAOYSA-N
-rxn:4:213292:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(N2C(=O)CC(N3CCN(CC=Cc4ccccc4)CC3)C2=O)cc1,LSILYCWWIPGLGC-UHFFFAOYSA-N
-rxn:4:213320:223608,COC(=O)c1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,JYQRKPACTXCNCA-UHFFFAOYSA-N
-rxn:4:213336:225387,COC(=O)c1nc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2F)n2c1CCN(C(=O)OC(C)(C)C)CC2,ICUJFPVXQJNIHZ-UHFFFAOYSA-N
-rxn:4:213355:224421,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3nn2C)C1,KFZHJHUHZOGXKG-UHFFFAOYSA-N
-rxn:4:213397:224782,CN1CCN(c2cc(-c3ccc(-n4c(SCC(=O)N5CCc6ccccc65)nc5c(c4=O)SCC5)cc3)cc(F)c2F)CC1,CKZGFMVTWPXFDA-UHFFFAOYSA-N
-rxn:4:213400:223698,COc1cccc(N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCCC6)c5)cc43)CC2)c1,IWZRHAYZXMMGFB-UHFFFAOYSA-N
-rxn:4:213413:222935,CC1CN(C(=O)c2cc3cc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,MIEUTVBUWAJQNG-UHFFFAOYSA-N
-rxn:4:213450:224970,Cc1nc2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,KEGQNDPUHZKTGR-UHFFFAOYSA-N
-rxn:4:213458:222935,COc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,ZSUNBBRZYGZLSU-JFHPUIQFSA-N
-rxn:4:213458:224764,COc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2F)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,DPVSOQXUAXERBE-XWHIBYANSA-N
-rxn:4:213476:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1,RSFFABDQHJYRQG-OFCJAFHASA-N
-rxn:4:213480:222510,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)Nc5ccc(C)cc5Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OCHLOJNGBNMSKM-NGEXIDCFSA-N
-rxn:4:213633:222925,FC(F)(F)CN1CCC(Cn2cc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cn2)CC1,XCHLFUNKQPDVCO-UHFFFAOYSA-N
-rxn:4:213652:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cnsn2)C1,KIDHPLNLSSVWPY-UHFFFAOYSA-N
-rxn:4:213660:223562,CCOC(=O)N1CCN(c2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,KRAZIASUSKSPNJ-UHFFFAOYSA-N
-rxn:4:213660:224825,CCOC(=O)N1CCN(c2ccc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)CC1,PQYOUHXUDLSFQN-UHFFFAOYSA-N
-rxn:4:213661:224265,CCOC(=O)C1CCN(c2ncc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cn2)CC1,ALKUNJGZUAXLLK-UHFFFAOYSA-N
-rxn:4:213693:225664,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(N3CCCCC3)cc2Cl)cn1,MJBOGHPDEGQLCN-UHFFFAOYSA-N
-rxn:4:213770:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)c1,YYMLODLTMPRPCK-UHFFFAOYSA-N
-rxn:4:213781:222694,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)CC2)n1,WMYDTALHBYCARE-UHFFFAOYSA-N
-rxn:4:213795:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,ZBHOANKXPZRFPR-UHFFFAOYSA-N
-rxn:4:213800:223059,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCNCC3)cc2Cl)ncn1,PZHSHKCUFLOCBK-UHFFFAOYSA-N
-rxn:4:213802:225805,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCOCC1,MNYBSPCVICRATQ-UHFFFAOYSA-N
-rxn:4:213825:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCCC(Oc4ncc(F)cn4)C3)cc2)CC1,UGUIUQNNARUCGI-UHFFFAOYSA-N
-rxn:4:213835:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,KAYPRDOTYIRXIE-UHFFFAOYSA-N
-rxn:4:213849:222584,O=C(C1CCCO1)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,PAPHYWDZSHISOM-UHFFFAOYSA-N
-rxn:4:213863:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,POHGMEIBULANBZ-UHFFFAOYSA-N
-rxn:4:213879:223970,Cc1ccc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,JPKPBBCFGFBIHS-UHFFFAOYSA-N
-rxn:4:213881:224762,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cn2)CC1,FYKWNFLLWMCFAM-UHFFFAOYSA-N
-rxn:4:213886:222438,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)n2)CC1,IHCIMKWTUAILRN-UHFFFAOYSA-N
-rxn:4:213907:222693,Cc1csc(CN2CCN(C(=O)c3cccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)c3)CC2)n1,CAJURMZKLWDNMZ-UHFFFAOYSA-N
-rxn:4:213910:223295,CS(=O)(=O)Nc1cncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ABYVGSNNFNOOBS-UHFFFAOYSA-N
-rxn:4:213971:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,FQZWNZQVWPYCOI-UHFFFAOYSA-N
-rxn:4:213973:226284,CC(C)COc1cc(Cl)cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,KUMLYBPNFWLSFO-UHFFFAOYSA-N
-rxn:4:213980:225312,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnc(N3CCCN(C)CC3)nc2)n1,HZKUTGLPLUDJCE-UHFFFAOYSA-N
-rxn:4:213991:226652,Cc1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)n(C2CCCCO2)n1,VWRTXLOIVNQJIY-UHFFFAOYSA-N
-rxn:4:213992:226448,Clc1ncc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)cc1C1CCCC1,ZWPKYSCJDXYPAZ-UHFFFAOYSA-N
-rxn:4:213995:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(N3CCN(C)CC3)nc2C(=O)OC(C)(C)C)c1,CYBBVDBDJRMCSZ-UHFFFAOYSA-N
-rxn:4:214008:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)s2)cc1,WOLABFYZAAQDCS-UHFFFAOYSA-N
-rxn:4:214027:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1Cl,CJQUMFXXYHZSCR-UHFFFAOYSA-N
-rxn:4:214028:229167,CN(C)c1nc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cs1,BYIBYHCUVSKTNF-UHFFFAOYSA-N
-rxn:4:214046:226844,C[C@@H]1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,JQKWUAHXVYVEPB-LSDHHAIUSA-N
-rxn:4:214051:224334,CC(C)c1sc(-c2ccnc(-c3ccccc3C(F)(F)F)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,CDPSMUIHLPCZHY-UHFFFAOYSA-N
-rxn:4:214051:224582,CC(C)c1sc(-c2cccc(N3CCN(C4CC4)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,AVZONASSMQABMB-UHFFFAOYSA-N
-rxn:4:214054:226613,Cn1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cn2)n1,NCOZJVWQWMVUMF-UHFFFAOYSA-N
-rxn:4:214074:222935,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,IMNZFDKCMJWOMN-UHFFFAOYSA-N
-rxn:4:214074:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,RIXAEIGSJKDVQI-UHFFFAOYSA-N
-rxn:4:214085:228883,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cc(C#N)cnc3F)cc2)N=C1C1CCCCC1,RCWDYSYVDNGFFJ-UHFFFAOYSA-N
-rxn:4:214085:228891,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cncc(Cl)c3C#N)cc2)N=C1C1CCCCC1,ZNIBZSOYBTWAFT-UHFFFAOYSA-N
-rxn:4:214153:224022,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cnn2C1,UIGYUSNROHOGRD-FEPGAULTSA-N
-rxn:4:214183:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)c1,LVWFWLWXVOONDM-UHFFFAOYSA-N
-rxn:4:214260:224182,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)c4cn(C)c5ccccc45)CC3)o2)ccc1OCCN1CCOCC1,SRZWAQVTGVPOPP-UHFFFAOYSA-N
-rxn:4:214335:226001,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccc(OC(F)(F)F)c(C#N)c2)CC1,RWMRLAKOAQVQSI-UHFFFAOYSA-N
-rxn:4:214339:223834,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)ccc43)C2=O)cc1,LAIUQWHPROEZCZ-UHFFFAOYSA-N
-rxn:4:214342:225048,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3)CC2)c2ccccc2n1,RIHPMBCPYYIMJL-UHFFFAOYSA-N
-rxn:4:214349:223153,CCNC(=O)c1cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)ccc1Cl,HBLCUZYRIOPNOG-UHFFFAOYSA-N
-rxn:4:214360:224683,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5cc(F)cc(C(=O)N6CCCCC6)c5)ccc4n3C)cc2)C1,OZLUIHAGMGQWNH-UHFFFAOYSA-N
-rxn:4:214379:225960,Cc1nccn1-c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c(F)cn1,LODIQDWUZQPYMD-UHFFFAOYSA-N
-rxn:4:214379:225965,Cc1cnn(-c2ncc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cc2Cl)c1,ZKFRHSPLOTVMCF-UHFFFAOYSA-N
-rxn:4:214585:223539,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,OEBNOGHGIVKDCB-UHFFFAOYSA-N
-rxn:4:214630:223997,Cc1cc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc(C)c1S(=O)(=O)N1CCOCC1,AMWVCCCTBUBPKQ-UHFFFAOYSA-N
-rxn:4:214631:223970,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCC(C)CC1,YTYYQAPBDMBNSV-UHFFFAOYSA-N
-rxn:4:214660:224963,Cn1ncc(-c2cccc(COC3CCOCC3)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,RCRIDJXFQFPFEM-UHFFFAOYSA-N
-rxn:4:214698:224267,CCCc1nc(N2CCN(C)CC2)sc1-c1cccc(N2CCC3(CC2)OCCO3)c1,MQKQMMNRXAEQFB-UHFFFAOYSA-N
-rxn:4:214702:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)c(F)c2)CC1,PPKSFUSKAOSEJX-UHFFFAOYSA-N
-rxn:4:214716:225294,CCN1CCN(c2ncc(-c3cc(N4CCN(CC)CC4)c([N+](=O)[O-])cc3F)cn2)CC1,IWLOQVUGXKKLLA-UHFFFAOYSA-N
-rxn:4:214742:224194,CCN1CCN(Cc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)cc2Cl)CC1,AHVSKSSSWZGWAO-UHFFFAOYSA-N
-rxn:4:214767:223604,CN(C)C1CCN(c2c(-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)cccc2[N+](=O)[O-])CC1,VCTVONPBHOIVDQ-UHFFFAOYSA-N
-rxn:4:214771:222845,CC(c1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N(C)C)CC2)cc1)N1CCNCC1,BMPFUWANKQDUDZ-UHFFFAOYSA-N
-rxn:4:214781:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,VBFSBWDKBOFKRN-UHFFFAOYSA-N
-rxn:4:214818:225383,O=C(C1CCCO1)N1CCN(c2ncc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2Cl)CC1,ABJDCOZYQZQQTE-UHFFFAOYSA-N
-rxn:4:214832:223482,COc1ccccc1N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,VQMYMKXFEXJWFM-UHFFFAOYSA-N
-rxn:4:214833:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3N3CCN(c4cccc(OC)c4)CC3)c(F)cc2C)CC1,QPWKJRREQMIDNS-UHFFFAOYSA-N
-rxn:4:214836:223945,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCCN3CCOCC3)c(F)c2)CCO1)N1CCSCC1,OETSGLOPXFTGTB-UHFFFAOYSA-N
-rxn:4:214836:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,PQCGRXHFOHSKGM-UHFFFAOYSA-N
-rxn:4:214836:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,GZWOOEUMDOJTON-UHFFFAOYSA-N
-rxn:4:214838:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,OBBJSIUMXLFBOO-UHFFFAOYSA-N
-rxn:4:214838:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,XAYVZFBERXSNTA-UHFFFAOYSA-N
-rxn:4:214851:224251,CC1CCCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCN(C5CCC5)CC4)c3)c(F)c2)C1,PINQLVXMJKQLOM-UHFFFAOYSA-N
-rxn:4:214852:225665,O=C(c1cncc(-c2ccc(Cl)cc2N2CCCCC2)c1)N1CCC(N2CCCC2)CC1,SFOLKWSGWOIWBV-UHFFFAOYSA-N
-rxn:4:214858:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCCC(c2ccn(C)n2)C1,ZYYYBBZMZGWJIA-UHFFFAOYSA-N
-rxn:4:214858:224365,CCCCOc1cc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc(C(F)(F)F)c1F,KERYXXUBWDDBLY-UHFFFAOYSA-N
-rxn:4:214868:226554,CCCOc1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,NTQIVBOFVDGFAF-UHFFFAOYSA-N
-rxn:4:214871:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1Cl,CEYLXUJBVPGYRL-UHFFFAOYSA-N
-rxn:4:214872:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,YYYHEJSJGJLVIO-UHFFFAOYSA-N
-rxn:4:214873:223988,O=C(C1CCCN(c2ncc(-c3ccc(Oc4cccc(C(F)(F)F)c4)nc3)cc2F)C1)N1CCOCC1,PTFRUAFQIOJNJR-UHFFFAOYSA-N
-rxn:4:214875:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cn2)CC1,LTYNJPAAFPMMNI-UHFFFAOYSA-N
-rxn:4:214875:227275,CCCOc1c(F)cccc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,CYCCBNCTQAHXFE-UHFFFAOYSA-N
-rxn:4:214884:223030,CC(C)OC(=O)Nc1cccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,KZVVWFUBBQXDBJ-UHFFFAOYSA-N
-rxn:4:214888:226604,CC(C)Oc1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)cc(Cl)c1F,REYMNFMLGYDZJC-UHFFFAOYSA-N
-rxn:4:214890:222938,O=C(NCC(F)(F)F)c1cccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,NNDWZCJDMNJOIX-UHFFFAOYSA-N
-rxn:4:215077:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)c2)CC1,FNDLKJZQPNVSTE-UHFFFAOYSA-N
-rxn:4:215085:224400,Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,JZBSUHWRAXMQGR-UHFFFAOYSA-N
-rxn:4:215112:223687,CCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3s2)CC1,AHHXWCXGVSGXPN-UHFFFAOYSA-N
-rxn:4:215131:223570,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,LWBPRGJIFSIQBT-UHFFFAOYSA-N
-rxn:4:215146:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cc(-n2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)ccc1C#N,JRSFVKZDYWSHOV-UHFFFAOYSA-N
-rxn:4:215153:223810,Cc1cc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,XUTLZHIICCCRMT-UHFFFAOYSA-N
-rxn:4:215153:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)CC1,MPBGOMZGWZITEJ-UHFFFAOYSA-N
-rxn:4:215170:223076,O=C(c1cncc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,VPNFHEGHIKITON-UHFFFAOYSA-N
-rxn:4:215170:225531,CCN(CC)Cc1cc(F)ccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,TWSUPBCFLURUGX-UHFFFAOYSA-N
-rxn:4:215184:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)c1,GTPRAEVUAUKHMR-UHFFFAOYSA-N
-rxn:4:215216:224775,O=C(C1CCCN(c2nc3ccc(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cc3s2)C1)N1CCOCC1,NQXZYQCSTPPYGH-UHFFFAOYSA-N
-rxn:4:215233:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(CN3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)cc2)cc1,QHUIUOPKOZIQJW-UHFFFAOYSA-N
-rxn:4:215296:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccccc3)=NN12,VJBUFZIJXCPZAD-UHFFFAOYSA-N
-rxn:4:215299:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,XPKCGLMOYQUGEE-UHFFFAOYSA-N
-rxn:4:215673:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(F)(F)C4)c(C#N)c3)cc2)CC1,DXMVQYLVPFJJMG-UHFFFAOYSA-N
-rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
-rxn:4:215785:223712,COc1ccc(-c2nnn(C3CCCCC3)c2OC)cc1C12CC3CC(CC(C3)C1)C2,CFFQOWWMPIXNJA-UHFFFAOYSA-N
-rxn:4:215843:222439,CN1CCN(C(=O)c2ccnc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c2)CC1,TZNZVBGLFSQJAE-UHFFFAOYSA-N
-rxn:4:215845:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1,DPNQRYQDNDVBEA-UHFFFAOYSA-N
-rxn:4:215867:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,RDNAWBIOJFCTNP-UHFFFAOYSA-N
-rxn:4:215877:223841,CCN1CCN(c2cncc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c2)CC1,WCMIXZLMRLIXJB-UHFFFAOYSA-N
-rxn:4:215900:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,IYUVPIMRWGNMSM-UHFFFAOYSA-N
-rxn:4:215941:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccncc3N3CCC(N(C)C)CC3)c2)CC1,XWVWLMQINBYAER-UHFFFAOYSA-N
-rxn:4:215942:222584,CN(C)C1CCN(c2cccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,OVOAWIFXDAYSRJ-UHFFFAOYSA-N
-rxn:4:215942:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ncccc3N3CCC(N(C)C)CC3)c2)CC1,YJUODMVIQPAVMT-UHFFFAOYSA-N
-rxn:4:215943:223784,CCN1CCN(CCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,BWPIYVQMISLZJE-UHFFFAOYSA-N
-rxn:4:215955:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnccc3N3CCC(N(C)C)CC3)c2)CC1,GIFKLJYYGIECPK-UHFFFAOYSA-N
-rxn:4:215969:222465,Clc1cnc(N2CCN(C3CCC3)CC2)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,LPMXZOXJHWUXOW-UHFFFAOYSA-N
-rxn:4:215981:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nc(N3CCCCC3)cc(C(C)(C)C)n2)CC1,PKHWKRDKSQMMQA-UHFFFAOYSA-N
-rxn:4:218540:223490,Cc1ccc(-c2cnc3c(c2)OCCn2ccnc2-3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YTGJOIMEVQWKDO-UHFFFAOYSA-N
-rxn:4:218567:223534,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1,ZCNBEXWFHIEESO-UHFFFAOYSA-N
-rxn:4:218569:224807,COCc1cn(C2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)cc(OC(C)C)c4F)cc3)C2)nn1,BGDPMQCCKUPSSB-UHFFFAOYSA-N
-rxn:4:218579:224746,CCN1CCN(c2oc(COc3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)nc2C#N)CC1,XIJZRQRPXAQTEP-UHFFFAOYSA-N
-rxn:4:218587:222693,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)CC2)cc1,XVLCGSYDNXGFKB-UHFFFAOYSA-N
-rxn:4:218656:225172,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,GFZHHOIMMYZVLT-UHFFFAOYSA-N
-rxn:4:218663:225984,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)CC2)cc1,VREZFOWEYPKUQE-UHFFFAOYSA-N
-rxn:4:218666:225636,CC1CCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)ccn2)CC1,LJZFYGYRFITLLD-UHFFFAOYSA-N
-rxn:4:218676:223689,CCN1CCN(S(=O)(=O)c2cc(-c3c(C)nn(CCC(=O)N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)c3C)ccc2OC)CC1,BJRMUXNXGPOZTM-UHFFFAOYSA-N
-rxn:4:218677:223844,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)o4)CC3)nn2)cc1,NEZCDSWLQPRYPG-UHFFFAOYSA-N
-rxn:4:218683:222612,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)C2)nc1,VKCCGBZFBPEOQD-UHFFFAOYSA-N
-rxn:4:218710:222453,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccccc5C(F)(F)F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AUECDVLGAHNITD-UHFFFAOYSA-N
-rxn:4:218710:222566,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5ccccc5F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKKZDXGAXKLYJQ-UHFFFAOYSA-N
-rxn:4:218710:222732,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GADGGHDABMLHOU-UHFFFAOYSA-N
-rxn:4:218710:223203,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5(O)CCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UHJSNVRHONSPDY-UHFFFAOYSA-N
-rxn:4:218710:223261,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C(=O)NC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,STZJHSGIZGCNFK-UHFFFAOYSA-N
-rxn:4:218710:224040,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(ccn5Cc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BZHSAIYTXAFLHF-UHFFFAOYSA-N
-rxn:4:218710:224158,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AFVRHHJSTKWLEL-UHFFFAOYSA-N
-rxn:4:218710:224202,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5cccnc5)c(C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NDBANJQGIOZLEB-UHFFFAOYSA-N
-rxn:4:218710:224246,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BWWDKJNNAMCKMR-UHFFFAOYSA-N
-rxn:4:218710:224252,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ARGJBJLAHVRCOL-UHFFFAOYSA-N
-rxn:4:218710:224579,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5cnc(C)c5)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DSYFLWBKVGEDTG-UHFFFAOYSA-N
-rxn:4:218710:224643,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5cccc(OC)c5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCIXWBDWKRRRLI-UHFFFAOYSA-N
-rxn:4:218710:224901,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(-c5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XWZHAZHFXRUBCW-UHFFFAOYSA-N
-rxn:4:218710:225025,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccc(OC)c5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPEJAIZDWRJIRQ-UHFFFAOYSA-N
-rxn:4:218710:225176,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PXOBGCDQHHDTBI-UHFFFAOYSA-N
-rxn:4:218710:225294,CCN1CCN(c2ncc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cn2)CC1,HNPHTBGCQUEBQE-UHFFFAOYSA-N
-rxn:4:218710:225973,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(-n5cnc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QIIUPISEUZNLRY-UHFFFAOYSA-N
-rxn:4:218710:226103,CCCOc1c(C)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,QUOIKXFGZXEJBH-UHFFFAOYSA-N
-rxn:4:218710:226299,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC5CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LZOZVBXLVJGDHI-UHFFFAOYSA-N
-rxn:4:218710:226413,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IMLIEPQJGBWYFA-UHFFFAOYSA-N
-rxn:4:218710:226491,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(OCCOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YTWKWIGTFLVRQY-UHFFFAOYSA-N
-rxn:4:218710:226615,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-n5cc(C)cn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FJOSIHKUAGHNCW-UHFFFAOYSA-N
-rxn:4:218710:226649,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4N4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZQHYSAUMUUQIEG-UHFFFAOYSA-N
-rxn:4:218710:226801,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccn5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RSKQARAWTVTYFH-UHFFFAOYSA-N
-rxn:4:218710:226821,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cscn5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OPGVVLSYEAJJLK-UHFFFAOYSA-N
-rxn:4:218710:227302,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WEFYTKDPPPFZMZ-UHFFFAOYSA-N
-rxn:4:218710:227312,CCC(C)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)n1,CPEAZYYLSLLZSQ-UHFFFAOYSA-N
-rxn:4:218710:227593,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(Cl)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LORLVODHBJJSLS-UHFFFAOYSA-N
-rxn:4:218710:227811,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XZAIDBYOBGEOOI-UHFFFAOYSA-N
-rxn:4:218710:227879,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CCC#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HOGXREKQRCVJMO-UHFFFAOYSA-N
-rxn:4:218710:227909,CCC(C)c1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccn1,JOKXAXLQADYCMF-UHFFFAOYSA-N
-rxn:4:218710:228168,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(Cl)c1,ZSUNYWWIPJYEHR-UHFFFAOYSA-N
-rxn:4:218710:228192,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HLEZJEXISOHBEP-UHFFFAOYSA-N
-rxn:4:218710:228277,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)ccc(F)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IEGWJIIXYJCAFD-UHFFFAOYSA-N
-rxn:4:218710:228340,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4sc(C5CC5)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BYHHOSTXSZRCER-UHFFFAOYSA-N
-rxn:4:218710:228630,CCc1cc(F)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,GWDMNKFXXWTJLP-UHFFFAOYSA-N
-rxn:4:218710:228865,CCOc1cnc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,SIOVDXRCEBHYIE-UHFFFAOYSA-N
-rxn:4:218710:229033,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GFLZVQGQCMVHMG-UHFFFAOYSA-N
-rxn:4:218710:229166,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(C)=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KKLPMZMELZRWHC-UHFFFAOYSA-N
-rxn:4:218710:229241,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VPWBOEGBWIMROY-UHFFFAOYSA-N
-rxn:4:218710:229250,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OZBKMNSTPRJYQL-UHFFFAOYSA-N
-rxn:4:218712:225342,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cc(C(=O)N(C)C)cc([N+](=O)[O-])c4)c3C)CC2)c(C)c1,YPFDKPUEBMXSND-UHFFFAOYSA-N
-rxn:4:218714:225029,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Oc5ccccc5)ccc4F)c3C)CC2)c(C)c1,ZAUPUJVTJOCVGD-UHFFFAOYSA-N
-rxn:4:218786:225222,CC1CCCCN1c1cc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)c(F)cn1,KWUBKLOAKSAFOE-UHFFFAOYSA-N
-rxn:4:218786:226656,Cc1ccc(-c2ncon2)cc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,SAPWJWTWZNMTBT-UHFFFAOYSA-N
-rxn:4:218832:223812,O=C(c1cscn1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SUQLYPLCRLRHKV-UHFFFAOYSA-N
-rxn:4:218867:225867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(N4CCCCC4)c3)c2)no1,SIXGWAYJBMYKBF-UHFFFAOYSA-N
-rxn:4:218867:225882,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(C4CCOCC4)c3)c2)no1,WQBBROINTNQNFW-UHFFFAOYSA-N
-rxn:4:218867:226425,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4C)s3)c2)no1,DNEHKLUPZYIJQW-UHFFFAOYSA-N
-rxn:4:218867:226590,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCOC4)nc3)c2)no1,IZBRZUIJEXJBQW-UHFFFAOYSA-N
-rxn:4:218868:225227,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc2)no1,FVCOPTFTHNQXIW-UHFFFAOYSA-N
-rxn:4:218868:225975,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)no1,IDPQSKZCACUFQT-UHFFFAOYSA-N
-rxn:4:218868:225982,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2)no1,ZTBXVAOYSDPMRB-UHFFFAOYSA-N
-rxn:4:218868:227103,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3sccc3C3CCCCC3)cc2)no1,UUNYJLCVHMUUSX-UHFFFAOYSA-N
-rxn:4:218882:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccccn4)C3)nc2)cc1,QPKRISKYLQTMSR-UHFFFAOYSA-N
-rxn:4:218885:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,IZMRMQBHMICTOR-UHFFFAOYSA-N
-rxn:4:218886:223533,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)C1,IOKDUCXDOWFJDL-UHFFFAOYSA-N
-rxn:4:218889:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)no1,YLGOSHPPTAVOOS-UHFFFAOYSA-N
-rxn:4:218899:224971,CN1CCN(Cc2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cc2)CC1,WDHBCQONQUAKHP-UHFFFAOYSA-N
-rxn:4:218903:227116,Cc1c(Cl)cc(C2CC2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,NZXCICLZYCJCJV-UHFFFAOYSA-N
-rxn:4:218919:224599,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cc(C(=O)C4CCCCC4)ccc3F)C2)cn1,JROKAGIIMHHQJH-UHFFFAOYSA-N
-rxn:4:218944:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,WJZRTMNZRSTPBV-UHFFFAOYSA-N
-rxn:4:218944:222948,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2[N+](=O)[O-])CC1,FWHCPXLLCUEOMO-UHFFFAOYSA-N
-rxn:4:218944:227376,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,OOVDQHMTLQTXBK-UHFFFAOYSA-N
-rxn:4:218945:222929,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cncc2[N+](=O)[O-])CC1,XEPATVKLCIUXLX-UHFFFAOYSA-N
-rxn:4:218948:227464,CCCCSc1ncc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,NSIVLJAUMJOUTQ-UHFFFAOYSA-N
-rxn:4:218964:226490,COCCOc1ccc(F)c(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c1,LXGBMWPBFPTIPN-UHFFFAOYSA-N
-rxn:4:218968:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)cc2)CC1,NTOPBSQYACEHRQ-UHFFFAOYSA-N
-rxn:4:218976:228489,O=C1C(N2CCC(Oc3ncc(-c4ccc(Cl)cc4[N+](=O)[O-])cn3)CC2)CCN1CC(F)(F)F,HVRUYBNAMNMFPB-UHFFFAOYSA-N
-rxn:4:218998:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c(F)cc2C)CC1,IRPBCSXDLFLNBW-UHFFFAOYSA-N
-rxn:4:219002:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c2)CC1,PDMCVQPYDZNWTK-UHFFFAOYSA-N
-rxn:4:219061:225360,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)n5cccn5)cc4)cn3)C2)CC1,ZUOMKDWZFCQZEL-UHFFFAOYSA-N
-rxn:4:219078:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(F)c1,NWIRSFROPXDXMH-UHFFFAOYSA-N
-rxn:4:219088:224458,CCCCn1c(=O)c2c(nc(-c3ccc(C(C)N4CCC(C)CC4)cc3)n2CC(C)=O)n(C)c1=O,RKXKCMOPEZFJAS-UHFFFAOYSA-N
-rxn:4:219120:224772,O=C(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c(Cl)c1)N1CCOCC1,NCEMKAAACSTKIT-UHFFFAOYSA-N
-rxn:4:219120:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cc1OCC,RXQQWCDPZZHPAC-UHFFFAOYSA-N
-rxn:4:219128:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c(F)c2)CC1,VFIDHRLLNVYVMM-UHFFFAOYSA-N
-rxn:4:219144:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)cn2)CC1,FIDQHIILENNYDT-UHFFFAOYSA-N
-rxn:4:219184:222935,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc2)OC3)CC1,KGHWFDVCKSQAEJ-UHFFFAOYSA-N
-rxn:4:219184:225010,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(CN5CCCCC5)c4)cc2)OC3)CC1,NUZQFYJOAOSGMI-UHFFFAOYSA-N
-rxn:4:219270:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(Cn3ccnn3)C2)cc1S(=O)(=O)NC1CCCCC1,ZUIJSTPLRGBVOV-UHFFFAOYSA-N
-rxn:4:219340:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c3ccccc23)CC1,CVCTYIRPXHSNQJ-UHFFFAOYSA-N
-rxn:4:219374:223666,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)nn2)CC1,CUXYMGWWMVXCLR-UHFFFAOYSA-N
-rxn:4:219401:223970,Cc1ccc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cc1S(=O)(=O)N1CCC(C)CC1,MPPGNXXQNTXVDE-UHFFFAOYSA-N
-rxn:4:219419:223835,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)o3)CC2)cc(C(F)(F)F)n1,SLLWSQIHAIXPAC-UHFFFAOYSA-N
-rxn:4:219436:223093,CC(C)S(=O)(=O)Nc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1,UBDPOJFEISKFDV-UHFFFAOYSA-N
-rxn:4:219456:223776,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)n1,IBWDFEPBSRTZSD-UHFFFAOYSA-N
-rxn:4:219462:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,CIJSPQJTXLBVBF-UHFFFAOYSA-N
-rxn:4:219471:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BEBZNQBFENVCQZ-UHFFFAOYSA-N
-rxn:4:219478:225764,CCCOc1c(F)c(C)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)c2)c1F,ZQBGDDVVRVFZLO-UHFFFAOYSA-N
-rxn:4:219501:222996,CSc1ncc(-c2ccc(F)cc2C2CCCNC2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,JNBNSGLYMFEXIF-UHFFFAOYSA-N
-rxn:4:219501:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,AJGZXSQXYMRDJE-UHFFFAOYSA-N
-rxn:4:219506:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,PGBLCMPUZLOAAR-YHBQERECSA-N
-rxn:4:219507:226256,CCCCOc1cc(F)ccc1-c1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,UKTKCPOIMMAMOY-UHFFFAOYSA-N
-rxn:4:219515:224333,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cccc(-c4cc(C(F)(F)F)ccn4)c3)s1)C2,MUKUKNBGKQCWGV-UHFFFAOYSA-N
-rxn:4:219537:224960,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1OC1CCCC1,UERDWUMTSDFDBX-UHFFFAOYSA-N
-rxn:4:219539:225180,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc(C(=O)N3CCCC3)cc2Cl)CC1,XLDGUXBHLMCFLQ-UHFFFAOYSA-N
-rxn:4:219553:225518,CCCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1,ZXFJXDSJZHSAMN-UHFFFAOYSA-N
-rxn:4:219560:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)cc2)cc1,XYJRKFFNKTVUPS-UHFFFAOYSA-N
-rxn:4:219619:223818,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc12,QNXQIGMREFGMQZ-UHFFFAOYSA-N
-rxn:4:219630:224718,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(OCCN5CCOCC5)nc4)cc23)CC1,VVHDCLOPGQMSLJ-UHFFFAOYSA-N
-rxn:4:219653:225875,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)cc4Cl)nc3s2)CC1,WRIQPJQMUGKAQD-UHFFFAOYSA-N
-rxn:4:219668:222656,O=C(NC1CCCCC1)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)c2)cc1F,VHAAQIBVKVHRSK-UHFFFAOYSA-N
-rxn:4:219688:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)CC1,VYHIKRRCFGKROM-UHFFFAOYSA-N
-rxn:4:219689:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn12,MKXFIRFXMMJLKR-UHFFFAOYSA-N
-rxn:4:219692:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2nc(Cl)ncc12,KGIHOJJTAKUMEG-UHFFFAOYSA-N
-rxn:4:219698:223497,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(C)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc2)c(=O)c3=O)cc1,ANUHQKMBDVHSNH-UHFFFAOYSA-N
-rxn:4:219707:225313,CN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)c(F)n2)CC1,ATSYHRLKRGEKIL-UHFFFAOYSA-N
-rxn:4:219748:223881,Cc1ccc2cc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)N6CCCCCC6)cc5n4)cc3)n(C(=O)OC(C)(C)C)c2c1,GRJLOVRMEXJLKA-UHFFFAOYSA-N
-rxn:4:219750:226479,CCCCOc1nccc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1Cl,FKPFVMPVXBWKDW-UHFFFAOYSA-N
-rxn:4:219750:226512,COc1ccc(-c2ccncc2OCC2CCO2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,HQBRXTCAEKJUAP-UHFFFAOYSA-N
-rxn:4:219759:225977,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,ZHYHCHPODKDBNX-UHFFFAOYSA-N
-rxn:4:219903:222716,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cc2[N+](=O)[O-])CC1,VVOJNRXERNJOTN-UHFFFAOYSA-N
-rxn:4:219959:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,OSYPCBUIWUYGEB-UHFFFAOYSA-N
-rxn:4:219959:223766,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2cc(C#N)ccc21,RPYPIGBQKYPCCD-UHFFFAOYSA-N
-rxn:4:220129:222803,O=C1C2CN(c3ncc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cn3)CC2C(=O)N1Cc1ccccc1,BGBXGGIGIVEMOX-UHFFFAOYSA-N
-rxn:4:220136:224394,Cc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCOCC1,JIZLALLJEVVRHH-UHFFFAOYSA-N
-rxn:4:220136:224396,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1S(=O)(=O)N1CCOCC1,IENZGLQKSXUSCH-UHFFFAOYSA-N
-rxn:4:220136:225080,COC(=O)C1CCc2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)ccc2O1,UBUDORPIEKARHZ-UHFFFAOYSA-N
-rxn:4:220150:225087,CN(C)CCCOc1ccc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cc1F,XVAYJIRGGGXLIL-UHFFFAOYSA-N
-rxn:4:220158:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,OXIMWLGMOFKUNH-UHFFFAOYSA-N
-rxn:4:220191:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)c2)CC1,XIHSSAYESKICDT-UHFFFAOYSA-N
-rxn:4:220414:222711,COc1ccc(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2C)cc1S(=O)(=O)NC(C)(C)C,SBGQZOVVAKATIZ-UHFFFAOYSA-N
-rxn:4:220519:223532,CCN1CCN(c2ncnc3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,LEOOVFPLNWSKDU-UHFFFAOYSA-N
-rxn:4:220536:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)ccc2C)CC1,VZSLEBIMPJHZBZ-UHFFFAOYSA-N
-rxn:4:220544:222935,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)c(C)c4)C3C2=O)cc1F,QMRUJRMWNMZCIG-UHFFFAOYSA-N
-rxn:4:220547:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4N=NC5C(=O)N(c6cc(C)cc(C)c6)C(=O)C54)cc3C)cn2)CC1,MAHBSMTXRMYEKE-UHFFFAOYSA-N
-rxn:4:221100:225172,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,NZKGFGNGNMZXLA-UHFFFAOYSA-N
-rxn:4:221110:228742,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cc(Cl)cc(C#N)c4)cn3)CC2)CC1,HBPRBSWQQBJDLZ-UHFFFAOYSA-N
-rxn:4:221121:222590,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NCc6ccccc6)cc5)ccc43)CC2)CC1,JGBJLDLOQDYTSR-UHFFFAOYSA-N
-rxn:4:221128:225201,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OC6CCCC6)c(F)c5F)cc4)nnn3c3ccccc23)C1,HGNWOJORADJZDL-UHFFFAOYSA-N
-rxn:4:221152:222542,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCNCC1,FBBKNXZXAWZKPL-UHFFFAOYSA-N
-rxn:4:221153:222694,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,OFRJVAFFWCCWOS-UHFFFAOYSA-N
-rxn:4:221163:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c2)CC1,TWLWPPHQBFVDHZ-UHFFFAOYSA-N
-rxn:4:221169:223696,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)C2)cn1,KRKWWAKXSPWXOY-UHFFFAOYSA-N
-rxn:4:221173:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c1,SGPAUTNFGMLPHP-UHFFFAOYSA-N
-rxn:4:221175:225318,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)cc(N5CCOCC5)cc4F)cn3)C2)C(=O)C1=O,FUZWQNYEOYTYOI-UHFFFAOYSA-N
-rxn:4:221175:226712,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCOC)nc4F)cn3)C2)C(=O)C1=O,LSFHFFFTCBVZML-UHFFFAOYSA-N
-rxn:4:221175:228390,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(Cl)cc4F)cn3)C2)C(=O)C1=O,NOBXEKMXTIGKEY-UHFFFAOYSA-N
-rxn:4:221175:228398,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(Cl)ccc(OC)c4F)cn3)C2)C(=O)C1=O,SSMDYSQIKCFDAY-UHFFFAOYSA-N
-rxn:4:221175:228409,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(OC)c4Cl)cn3)C2)C(=O)C1=O,XQUDKWNTMOSRAR-UHFFFAOYSA-N
-rxn:4:221175:228413,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(F)cc4Cl)cn3)C2)C(=O)C1=O,LLTNATCAOLDTDJ-UHFFFAOYSA-N
-rxn:4:221180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1C,NDPWYXCZRDUNOK-UHFFFAOYSA-N
-rxn:4:221180:223755,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nn1C,QYCWIAYUNBLUPG-UHFFFAOYSA-N
-rxn:4:221181:225313,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)nn1C,RSZZERFEDVHWPR-UHFFFAOYSA-N
-rxn:4:221198:224718,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)nn1,KUDBALXZTWYLQI-UHFFFAOYSA-N
-rxn:4:221205:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2)CC1,YEMNALXHKSFAFP-UHFFFAOYSA-N
-rxn:4:221207:222569,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCc5ccc(Cl)cc5)cc4)cc3)CC2)n1,YKVUSEFJCDJLSU-UHFFFAOYSA-N
-rxn:4:221207:223220,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NCC5CC5)nc4)cc3)CC2)n1,IEFMQQWJOBANKY-UHFFFAOYSA-N
-rxn:4:221207:223596,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,UMOCXVQFSQPLIQ-UHFFFAOYSA-N
-rxn:4:221207:224188,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)cc3)CC2)n1,MXQBCJKHTARIEX-UHFFFAOYSA-N
-rxn:4:221207:224588,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)cc(CN5CCC(C)CC5)c4)cc3)CC2)n1,ILBRYGUSGCKORO-UHFFFAOYSA-N
-rxn:4:221207:225453,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(SC5CCCCC5)c4)cc3)CC2)n1,VECGRCQEAJOWEB-UHFFFAOYSA-N
-rxn:4:221207:226056,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc3)CC2)n1,ZFZGGDYFWOERBT-UHFFFAOYSA-N
-rxn:4:221207:226211,CC(=O)N1CCc2cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc21,BQFBZFYSSYKUIL-UHFFFAOYSA-N
-rxn:4:221207:226563,COC(=O)Cc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,LCPIIRXVQUIPKX-UHFFFAOYSA-N
-rxn:4:221207:226888,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)c(F)c(C(F)(F)F)c4)cc3)CC2)n1,GFZYVXOSEWWOHN-UHFFFAOYSA-N
-rxn:4:221207:228091,CCN(CC)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)s1,QELBHPRCKSBBQM-UHFFFAOYSA-N
-rxn:4:221209:222391,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)cc3)CC2)n1,IBTGSZFVVFZYIJ-UHFFFAOYSA-N
-rxn:4:221209:222415,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(F)c(S(N)(=O)=O)c4)cc3)CC2)n1,AIKFYWQRMREYTQ-UHFFFAOYSA-N
-rxn:4:221209:222541,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCCN5CCCCC5)cc4)cc3)CC2)n1,WEKNBPVGAHXKJL-UHFFFAOYSA-N
-rxn:4:221209:222543,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,XJGWTOXDJKNSIY-UHFFFAOYSA-N
-rxn:4:221209:222547,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(=O)Nc5ccc(C#N)cc5)c4)cc3)CC2)n1,UITSVNDHXFFPHJ-UHFFFAOYSA-N
-rxn:4:221209:222589,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,DJJFZYHDLLINGM-UHFFFAOYSA-N
-rxn:4:221209:222615,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3)CC2)n1,IZDHTVDQGKNOMG-UHFFFAOYSA-N
-rxn:4:221209:222705,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCNCC5)cc(C(F)(F)F)c4)cc3)CC2)n1,QAMRHKYSGDDRMS-UHFFFAOYSA-N
-rxn:4:221209:222718,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)CC2)n1,LSTFXSSRGYDHAY-UHFFFAOYSA-N
-rxn:4:221209:222836,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(NC(=O)CC(C)(C)C)cc4)cc3)CC2)n1,PRULYYFRUQDDRR-UHFFFAOYSA-N
-rxn:4:221209:222877,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC(C)(C)C)c(Cl)c4)cc3)CC2)n1,MEGOYMXXNDHCBV-UHFFFAOYSA-N
-rxn:4:221209:222946,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCCCC5O)nc4Cl)cc3)CC2)n1,MYFKSPFMCYOVKQ-UHFFFAOYSA-N
-rxn:4:221209:222958,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C)c(C5CCNCC5)c4)cc3)CC2)n1,UYTRDRMXCRBLHV-UHFFFAOYSA-N
-rxn:4:221209:222990,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCC(O)CC5)cc4)cc3)CC2)n1,SOAPSTIKKJKEEB-UHFFFAOYSA-N
-rxn:4:221209:222991,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCC(O)C5)cc4)cc3)CC2)n1,RPSJESPBZIRCMN-UHFFFAOYSA-N
-rxn:4:221209:222998,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)CC2)n1,OEZIPEJXEJEWFM-UHFFFAOYSA-N
-rxn:4:221209:223001,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)CC2)n1,NJIRYBIVKMBAAH-UHFFFAOYSA-N
-rxn:4:221209:223005,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)c(Cl)c4)cc3)CC2)n1,MHJCPJMHTMHPSL-UHFFFAOYSA-N
-rxn:4:221209:223026,CCCNC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1F,UQVFKQJJJLISEK-UHFFFAOYSA-N
-rxn:4:221209:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,QIKDHQCWQRULKD-UHFFFAOYSA-N
-rxn:4:221209:223054,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCC(O)C5)s4)cc3)CC2)n1,URKMRQDVETYDSJ-UHFFFAOYSA-N
-rxn:4:221209:223059,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)CC2)n1,LGOJKXWCUOFGGG-UHFFFAOYSA-N
-rxn:4:221209:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,PYJPNICHWGRCNX-UHFFFAOYSA-N
-rxn:4:221209:223130,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CC(O)C5)cc4)cc3)CC2)n1,MEJHUCSMVQJTSI-UHFFFAOYSA-N
-rxn:4:221209:223151,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,WQRMMWICIFBNCE-UHFFFAOYSA-N
-rxn:4:221209:223161,CNC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)c1,HTZPCRBMJWZZGT-UHFFFAOYSA-N
-rxn:4:221209:223170,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,YBUNNZSCAGNTAX-UHFFFAOYSA-N
-rxn:4:221209:223181,CCNS(=O)(=O)c1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,BFRSFRBMNFFHDC-UHFFFAOYSA-N
-rxn:4:221209:223194,CCCNCc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,IZDFKLVBTUWJNR-UHFFFAOYSA-N
-rxn:4:221209:223242,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,JTZPJBZQUJUZRZ-UHFFFAOYSA-N
-rxn:4:221209:223255,CONC(=O)c1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,IIPLTZMXRVUQHG-UHFFFAOYSA-N
-rxn:4:221209:223257,CONC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,XAVAIZAKFQVKTM-UHFFFAOYSA-N
-rxn:4:221209:223480,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,OAYFGDOYHYUSBO-UHFFFAOYSA-N
-rxn:4:221209:223482,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,HDRIPZPMBSGTCK-UHFFFAOYSA-N
-rxn:4:221209:223492,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,IJUHTDAOXSNNKR-UHFFFAOYSA-N
-rxn:4:221209:223508,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)n1,DWANLONYLRZCQA-UHFFFAOYSA-N
-rxn:4:221209:223521,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,LRKJYZWYZKIMHA-UHFFFAOYSA-N
-rxn:4:221209:223536,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,HVKNCQRGUFQYSE-UHFFFAOYSA-N
-rxn:4:221209:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc21,ZVDPPIGKHOMXOV-UHFFFAOYSA-N
-rxn:4:221209:223573,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,AXVOZWJLIVFHIK-UHFFFAOYSA-N
-rxn:4:221209:223575,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,OPIOGRAQJRLRJH-UHFFFAOYSA-N
-rxn:4:221209:223597,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cc3)CC2)n1,SCFGDHYDTCXHHO-UHFFFAOYSA-N
-rxn:4:221209:223598,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc3)CC2)n1,LUEXPZZGHYPXEH-UHFFFAOYSA-N
-rxn:4:221209:223625,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(COc5ccc(C(C)(C)C)cc5C)cc4)cc3)CC2)n1,IEVDCIMHKRXGSL-UHFFFAOYSA-N
-rxn:4:221209:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2C)CC1,NKFYISVXGAMCAQ-UHFFFAOYSA-N
-rxn:4:221209:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c2)CC1,PSASQMQODUVKEP-UHFFFAOYSA-N
-rxn:4:221209:223695,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,GVLIOYJSMVPOOA-UHFFFAOYSA-N
-rxn:4:221209:223696,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)CC2)n1,ATUPCPQAUYFWKZ-UHFFFAOYSA-N
-rxn:4:221209:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)c1,VNSNIBXUDQHYOW-UHFFFAOYSA-N
-rxn:4:221209:223736,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCc5ccccc5)c(C(C)(C)C)c4)cc3)CC2)n1,FTJBWALOSGIXEG-UHFFFAOYSA-N
-rxn:4:221209:223738,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5cc(O[Si](C)(C)C(C)(C)C)ccc5c4)cc3)CC2)n1,JINHJXRDALDSGW-UHFFFAOYSA-N
-rxn:4:221209:223739,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2)n1,FUDMMECJMGFAOI-UHFFFAOYSA-N
-rxn:4:221209:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,DUCXRZJPOLZQTD-UHFFFAOYSA-N
-rxn:4:221209:223817,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnn(CCN5C(=O)c6ccccc6C5=O)c4)cc3)CC2)n1,QOJDNWBWYUJJFV-UHFFFAOYSA-N
-rxn:4:221209:223883,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)cc3)CC2)n1,VYOUAWDJZDITKU-UHFFFAOYSA-N
-rxn:4:221209:223885,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc3)CC2)n1,KPCQHLGPXQEFMO-UHFFFAOYSA-N
-rxn:4:221209:223888,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3)CC2)n1,SDBOUTHEICSYIS-UHFFFAOYSA-N
-rxn:4:221209:223952,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)n1,JOLGKFYSMCRQHO-UHFFFAOYSA-N
-rxn:4:221209:223966,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)CC2)n1,UPOHGRXHXKKCCN-UHFFFAOYSA-N
-rxn:4:221209:223970,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,LLWRTGLIHOTMJV-UHFFFAOYSA-N
-rxn:4:221209:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,SQLAHGKBHNEVEQ-OHRWXDHWSA-N
-rxn:4:221209:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c(F)c2)CC1,IQYJODUNSQFEKJ-UNWRIRMBSA-N
-rxn:4:221209:224059,COc1c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,SSJYLSQIGKTSAE-UHFFFAOYSA-N
-rxn:4:221209:224063,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)cc3)CC2)n1,LRKCGYPZUJDHKH-UHFFFAOYSA-N
-rxn:4:221209:224075,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc3)CC2)n1,MJJRWPGSOSOYBX-UHFFFAOYSA-N
-rxn:4:221209:224076,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,CUZUGPSICPIHQD-UHFFFAOYSA-N
-rxn:4:221209:224088,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCCCCC5)cc4)cc3)CC2)n1,XDYLNXIPQDTBIR-UHFFFAOYSA-N
-rxn:4:221209:224125,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cc3)CC2)n1,PTBSXVQZHZQUIG-UHFFFAOYSA-N
-rxn:4:221209:224127,CCN1CCN(C(C)c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,XDRAXDIWHKOZMZ-UHFFFAOYSA-N
-rxn:4:221209:224153,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)cc3)CC2)n1,DNFBLXVUSNJUIC-UHFFFAOYSA-N
-rxn:4:221209:224197,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2F)CC1,GTNDTQRYMGOMLT-UHFFFAOYSA-N
-rxn:4:221209:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,HBGBGNLMVVPDSU-UHFFFAOYSA-N
-rxn:4:221209:224349,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)n1,XPUMAUCVVPCRGY-UHFFFAOYSA-N
-rxn:4:221209:224412,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)n1,ZSBNWJYHHGABEA-UHFFFAOYSA-N
-rxn:4:221209:224424,CCCC1CCC(c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,YSKHGJJBPZRLHZ-UHFFFAOYSA-N
-rxn:4:221209:224460,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(N5CCCCC5)c4)cc3)CC2)n1,LFDATZFNGXBSFT-UHFFFAOYSA-N
-rxn:4:221209:224472,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(Cl)c(OC(C)C)ccc5c4)cc3)CC2)n1,JHYWSYJTIVEGMP-UHFFFAOYSA-N
-rxn:4:221209:224492,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CCC(=O)N5CCCC5)cc4)cc3)CC2)n1,OAKVCYGYASJKEA-UHFFFAOYSA-N
-rxn:4:221209:224575,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCC(C)CC5)cc4C#N)cc3)CC2)n1,DRBNCZFVOCPHPL-UHFFFAOYSA-N
-rxn:4:221209:224582,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(N5CCN(C6CC6)CC5)c4)cc3)CC2)n1,LCGUBQYWZCHHDC-UHFFFAOYSA-N
-rxn:4:221209:224601,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(cnn5C5CCCCO5)c4)cc3)CC2)n1,IYNPOAGIWJKWOP-UHFFFAOYSA-N
-rxn:4:221209:224604,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc5nc(C)n(C(C)(C)C)c5cc4F)cc3)CC2)n1,PCMNHMLBHXHKQC-UHFFFAOYSA-N
-rxn:4:221209:224607,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc3)CC2)n1,QVLYLCZFBYGBHO-UHFFFAOYSA-N
-rxn:4:221209:224617,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3)CC2)n1,BSQQZGCYBBYVBN-UHFFFAOYSA-N
-rxn:4:221209:224668,CCN1CCN(c2cc(F)cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c2)CC1,WSFOGSPCGUAGHH-UHFFFAOYSA-N
-rxn:4:221209:224690,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CCC(=O)CC5)cc4F)cc3)CC2)n1,RCSLHXBYJCAMMP-UHFFFAOYSA-N
-rxn:4:221209:224708,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5cc(OC(F)(F)F)ccc5c4)cc3)CC2)n1,KBGKOBLFINAMHV-UHFFFAOYSA-N
-rxn:4:221209:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,LEQWJMRICCNMGP-UHFFFAOYSA-N
-rxn:4:221209:224826,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cnc1C(F)(F)F,NFCCIDXZSLOOFH-UHFFFAOYSA-N
-rxn:4:221209:224976,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3)CC2)n1,ZGSXOEASOOICRG-UHFFFAOYSA-N
-rxn:4:221209:224977,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)c(C#N)c4)cc3)CC2)n1,ICQPBZAUWBDEQH-UHFFFAOYSA-N
-rxn:4:221209:225047,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCC(C)CC5)c(C)c4)cc3)CC2)n1,RPGNTEXLDXZERC-UHFFFAOYSA-N
-rxn:4:221209:225108,CCN(CC)C(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(F)c1,ASOIQGAJJQTQKY-UHFFFAOYSA-N
-rxn:4:221209:225145,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)c(C#N)c4)cc3)CC2)n1,VEBZUECLNWYDJL-UHFFFAOYSA-N
-rxn:4:221209:225189,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(CN5C(=O)CCC5=O)c4)cc3)CC2)n1,HNQOADJUTVMJMG-UHFFFAOYSA-N
-rxn:4:221209:225228,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)CC2)n1,VFGOZLAJEWXWPC-UHFFFAOYSA-N
-rxn:4:221209:225291,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)cc4OC(C)C)cc3)CC2)n1,NIRTYEYCBWBLJQ-UHFFFAOYSA-N
-rxn:4:221209:225297,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)CC2)n1,WSOCZIDPLYFGNR-UHFFFAOYSA-N
-rxn:4:221209:225308,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)cc(C5CC5)c4Cl)cc3)CC2)n1,KNAHQJQBEAJCDR-UHFFFAOYSA-N
-rxn:4:221209:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,BFLYTKXGHIXXIS-UHFFFAOYSA-N
-rxn:4:221209:225359,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(C(F)(F)F)cc1OC,UKDYDQQCFXAAEK-UHFFFAOYSA-N
-rxn:4:221209:225363,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CC(F)(F)C5)nc4)cc3)CC2)n1,YQCHUHSZCKKITD-UHFFFAOYSA-N
-rxn:4:221209:225375,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)C(F)(F)F)cc4)cc3)CC2)n1,HSLAXIWZTJZXTA-UHFFFAOYSA-N
-rxn:4:221209:225379,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)CC2)n1,IKLSAWBBMIDSDO-UHFFFAOYSA-N
-rxn:4:221209:225384,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c([N+](=O)[O-])c4)cc3)CC2)n1,VDSCZDJOFFXOHD-UHFFFAOYSA-N
-rxn:4:221209:225395,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C(C)(C)C)c4)cc3)CC2)n1,WBPAVLDUJHQKED-UHFFFAOYSA-N
-rxn:4:221209:225408,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)CC2)n1,UAYJDWMTRYWBLA-UHFFFAOYSA-N
-rxn:4:221209:225454,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5=CCN(C)CC5)cc4)cc3)CC2)n1,VPOAEMWEJWLTOC-UHFFFAOYSA-N
-rxn:4:221209:225559,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCC5CCOC5)cc4)cc3)CC2)n1,XRSDKLZOUMMEEQ-UHFFFAOYSA-N
-rxn:4:221209:225583,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3)CC2)n1,UEBHBJQWMWMNAF-UHFFFAOYSA-N
-rxn:4:221209:225591,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(CN5CCCC5)ccc4F)cc3)CC2)n1,LSFOGRKOKIZFGO-UHFFFAOYSA-N
-rxn:4:221209:225593,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(CN5CCCC5)c4)cc3)CC2)n1,WEQWWPRMJQPRGX-UHFFFAOYSA-N
-rxn:4:221209:225597,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC5CCCCC5)nc4)cc3)CC2)n1,NMNLHWNHZKZTCA-UHFFFAOYSA-N
-rxn:4:221209:225664,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)cc4Cl)cc3)CC2)n1,YBDLKZPZVPRYOD-UHFFFAOYSA-N
-rxn:4:221209:225666,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)CC2)n1,NECPCJMGSYUOJX-UHFFFAOYSA-N
-rxn:4:221209:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,GVUIOGIXTWPRCS-UHFFFAOYSA-N
-rxn:4:221209:225741,CCCCOc1c(F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1Cl,WUNSQOMOTDLWKI-UHFFFAOYSA-N
-rxn:4:221209:225815,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CC5)cc4C(F)(F)F)cc3)CC2)n1,JMFKQMPHRHSRJK-UHFFFAOYSA-N
-rxn:4:221209:225821,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CC5)c(C(F)(F)F)c4)cc3)CC2)n1,GLLFQMNPYYNSGB-UHFFFAOYSA-N
-rxn:4:221209:225822,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(F)(F)F)c4C4CC4)cc3)CC2)n1,UAWNLKDEVSDHKA-UHFFFAOYSA-N
-rxn:4:221209:225824,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)cc3)CC2)n1,KIKYOVXBYRHGJU-UHFFFAOYSA-N
-rxn:4:221209:225859,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,DBSXIXDJZQVJEI-UHFFFAOYSA-N
-rxn:4:221209:225872,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(F)c(N5CCCC5)c4)cc3)CC2)n1,NNZVCLBDOKWURH-UHFFFAOYSA-N
-rxn:4:221209:225883,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCOCC5)c(Cl)c4)cc3)CC2)n1,TXODBAYQMMPHAJ-UHFFFAOYSA-N
-rxn:4:221209:225932,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N(C)C)c(C(F)(F)F)c4)cc3)CC2)n1,IJKLPJWSOWSDAV-UHFFFAOYSA-N
-rxn:4:221209:225947,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)CC2)n1,LPLBGWSAPRUPGO-UHFFFAOYSA-N
-rxn:4:221209:225982,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCOCC5)cc4F)cc3)CC2)n1,HZARSDUOTYSBDA-UHFFFAOYSA-N
-rxn:4:221209:225997,CCOc1ncc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1C(F)(F)F,MYUWCEWXHYBGAR-UHFFFAOYSA-N
-rxn:4:221209:226015,COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC(F)(F)F)c1,WOGWEHYRVNNIGP-UHFFFAOYSA-N
-rxn:4:221209:226034,COc1c(Cl)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1C(F)(F)F,SVQTYTBACBVOEN-UHFFFAOYSA-N
-rxn:4:221209:226100,CCC(C)COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,APYKMMAOHFIAAP-UHFFFAOYSA-N
-rxn:4:221209:226101,CCN(CC)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(C)c1,BLYURPZZYIJNFA-UHFFFAOYSA-N
-rxn:4:221209:226134,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C#N)cc(C5CC5)c4C)cc3)CC2)n1,AVJHXZKWGOYVBT-UHFFFAOYSA-N
-rxn:4:221209:226152,COc1cc(C2CC2)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1C,YTKHJLGTCFQDHT-UHFFFAOYSA-N
-rxn:4:221209:226164,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)cc4)cc3)CC2)n1,WCHMSXQQJIHKMC-UHFFFAOYSA-N
-rxn:4:221209:226172,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCCC5)ccc4C)cc3)CC2)n1,HFXUSFLVBXNJFI-UHFFFAOYSA-N
-rxn:4:221209:226174,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCCCC5)nc4)cc3)CC2)n1,ITYGQBOHGFGKPD-UHFFFAOYSA-N
-rxn:4:221209:226187,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C5CCOCC5)c4)cc3)CC2)n1,PLKCFVFQNZWUIL-UHFFFAOYSA-N
-rxn:4:221209:226191,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCCC5)ccc4F)cc3)CC2)n1,YZSODEHMWHBYQW-UHFFFAOYSA-N
-rxn:4:221209:226215,CO/N=C1\CCc2cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)ccc21,JEVYKTYFUJCGKU-RIHQVDFKSA-N
-rxn:4:221209:226232,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(OCCN(C)C)c4)cc3)CC2)n1,UMQUEIASFXAEEB-UHFFFAOYSA-N
-rxn:4:221209:226234,CCCOc1ccc(C#N)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,AHQFPIFCBPGEDO-UHFFFAOYSA-N
-rxn:4:221209:226270,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C=C(C#N)C#N)c4)cc3)CC2)n1,JLZSHDVAJTYFHM-UHFFFAOYSA-N
-rxn:4:221209:226272,CCN(C)C(=O)c1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,MNTNNQYUVQNBEX-UHFFFAOYSA-N
-rxn:4:221209:226274,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC(C)C)c(C#N)c4)cc3)CC2)n1,ZMCPPXIGARMWIB-UHFFFAOYSA-N
-rxn:4:221209:226301,CCCOc1cc(F)c(C)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,HWQFIWQKUZKTJR-UHFFFAOYSA-N
-rxn:4:221209:226302,CCOC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(C)c1,JKFLZDBPZDYEKM-UHFFFAOYSA-N
-rxn:4:221209:226306,CCOC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1C,XAYYZTHHRGCSLY-UHFFFAOYSA-N
-rxn:4:221209:226308,CCc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1C(=O)OC,OAGNJRXACCWBDP-UHFFFAOYSA-N
-rxn:4:221209:226312,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccccc4C(=O)OC(C)C)cc3)CC2)n1,MTMUTIJPUVZMGE-UHFFFAOYSA-N
-rxn:4:221209:226318,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)nc(N(C)C)c4)cc3)CC2)n1,HSNZJUQXKSARCM-UHFFFAOYSA-N
-rxn:4:221209:226326,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C5(C#N)CC5)c4F)cc3)CC2)n1,FIXBYYHQOGOWIH-UHFFFAOYSA-N
-rxn:4:221209:226329,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)c(F)c4)cc3)CC2)n1,XPHCVDRDBOPJAZ-UHFFFAOYSA-N
-rxn:4:221209:226341,COc1cc(F)c(C(C)C)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,OJQOPRRZRXWGJU-UHFFFAOYSA-N
-rxn:4:221209:226452,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5OCCCO5)cc4)cc3)CC2)n1,KQEJKWZMQNJIOL-UHFFFAOYSA-N
-rxn:4:221209:226469,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C)C(=O)CO5)cc3)CC2)n1,HNLXDJOXGAWXNL-UHFFFAOYSA-N
-rxn:4:221209:226487,COC(=O)COc1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,LABFGRXYWPODLV-UHFFFAOYSA-N
-rxn:4:221209:226504,CON(C)C(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,WNMNECOWRKWPTN-UHFFFAOYSA-N
-rxn:4:221209:226521,COc1cc(OC)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)c1,WCJPILMZVIPWOL-UHFFFAOYSA-N
-rxn:4:221209:226531,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1Cl,NZFRNEZBXZFTEE-UHFFFAOYSA-N
-rxn:4:221209:226547,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1OC,RSRWZLFFMNANLY-UHFFFAOYSA-N
-rxn:4:221209:226548,COC(=O)Cc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(Cl)c1,ZCUVOTZKZSMLPS-UHFFFAOYSA-N
-rxn:4:221209:226549,CCOc1c(Cl)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1OC,WHIIPYOXRSYYPD-UHFFFAOYSA-N
-rxn:4:221209:226551,CCOc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(Cl)c1OC,ZZSAHOIIBUYHBC-UHFFFAOYSA-N
-rxn:4:221209:226584,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C)cc4Cl)cc3)CC2)n1,GMBUWHKDLYBPAL-UHFFFAOYSA-N
-rxn:4:221209:226662,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,SRANUFLHIDSMMO-UHFFFAOYSA-N
-rxn:4:221209:226675,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2)n1,LCPSGTKHONAJLH-UHFFFAOYSA-N
-rxn:4:221209:226780,COc1c(F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)c1Cl,DCEOMZYURKSEKX-UHFFFAOYSA-N
-rxn:4:221209:226873,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(Cl)c4OC(F)(F)F)cc3)CC2)n1,MGDXKLYEPFMQIN-UHFFFAOYSA-N
-rxn:4:221209:226907,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc5c4CCC54CC4)cc3)CC2)n1,UKYLWXPJDAMYNE-UHFFFAOYSA-N
-rxn:4:221209:226925,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C)c4C)cc3)CC2)n1,XGWDGKSVKBFEJI-UHFFFAOYSA-N
-rxn:4:221209:226946,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)CCN(C)C5)cc3)CC2)n1,OBUHPFMFSUOEOD-UHFFFAOYSA-N
-rxn:4:221209:227008,CC=CCOc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,DHRGGHBIHLSISE-UHFFFAOYSA-N
-rxn:4:221209:227015,CCCOc1ccc(C)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,BRBBLDSSSRLYFJ-UHFFFAOYSA-N
-rxn:4:221209:227016,C/C=C/COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,DHRGGHBIHLSISE-ONEGZZNKSA-N
-rxn:4:221209:227021,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5(C#N)CC5)cc4)cc3)CC2)n1,JTZGDZSAMNOSBQ-UHFFFAOYSA-N
-rxn:4:221209:227030,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C#N)cc4C4CC4)cc3)CC2)n1,ZNRMIOJIKGYLNK-UHFFFAOYSA-N
-rxn:4:221209:227033,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CC5)c(C#N)c4)cc3)CC2)n1,NSURXTOHXZKSJU-UHFFFAOYSA-N
-rxn:4:221209:227035,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C#N)cc(C5CC5)c4)cc3)CC2)n1,VNHKRFFHFSFDDT-UHFFFAOYSA-N
-rxn:4:221209:227073,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C2CC2)c1,MMCBOZHGCGDWDV-UHFFFAOYSA-N
-rxn:4:221209:227085,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCCC5)nc4)cc3)CC2)n1,NFAHARBOFUDEDS-UHFFFAOYSA-N
-rxn:4:221209:227101,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C)c(C5CC5)cc4Cl)cc3)CC2)n1,RHZPJQIQERMTKM-UHFFFAOYSA-N
-rxn:4:221209:227106,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(C)cc4F)cc3)CC2)n1,ZOXDOEXPKMXOTP-UHFFFAOYSA-N
-rxn:4:221209:227109,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(Cl)cc4C)cc3)CC2)n1,HRAOIKBMNZTPPH-UHFFFAOYSA-N
-rxn:4:221209:227111,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4c(C)cc(C5CC5)cc4Cl)cc3)CC2)n1,KAGRPGIEOPPSBL-UHFFFAOYSA-N
-rxn:4:221209:227115,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C)c(C5CC5)cc4F)cc3)CC2)n1,VVNVCLBHYFBSBL-UHFFFAOYSA-N
-rxn:4:221209:227197,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)C(=O)N(C)C5)cc3)CC2)n1,ZCDYZBMHLGHSCU-UHFFFAOYSA-N
-rxn:4:221209:227199,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C)C(=O)C5)cc3)CC2)n1,WSQKVIBWGWCKJC-UHFFFAOYSA-N
-rxn:4:221209:227209,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)OC(C)(C)O5)cc3)CC2)n1,CVLUZEUYYGZULT-UHFFFAOYSA-N
-rxn:4:221209:227214,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCC#N)cc4)cc3)CC2)n1,ILLVMQBFGIZDMP-UHFFFAOYSA-N
-rxn:4:221209:227235,CCOc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1C#N,STOUCSHVDWLJFA-UHFFFAOYSA-N
-rxn:4:221209:227245,CCOc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1OC,RBCZWUNMNDGJGH-UHFFFAOYSA-N
-rxn:4:221209:227277,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N(C)C)c(C#N)c4)cc3)CC2)n1,JATUBFKLCQZFPW-UHFFFAOYSA-N
-rxn:4:221209:227295,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(OC5CCC5)c4)cc3)CC2)n1,YHWBKPQYOMKBFZ-UHFFFAOYSA-N
-rxn:4:221209:227302,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(OC(C)C)c(C)c4)cc3)CC2)n1,QACAWQNGOZSIPV-UHFFFAOYSA-N
-rxn:4:221209:227340,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1C,MXQQWIKIJXQTOV-UHFFFAOYSA-N
-rxn:4:221209:227361,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)cc1C,QVDAETIMLQETOJ-UHFFFAOYSA-N
-rxn:4:221209:227364,COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)c1C,KWGDYRMGIPYTGF-UHFFFAOYSA-N
-rxn:4:221209:227366,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(Cl)cc(OC(C)C)c4)cc3)CC2)n1,ZKZVVRDHONQSPF-UHFFFAOYSA-N
-rxn:4:221209:227371,COc1c(C)ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1OC,XHQZOCYKHCQXMK-UHFFFAOYSA-N
-rxn:4:221209:227403,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5)s4)cc3)CC2)n1,UCUHPMMUKOCSCJ-UHFFFAOYSA-N
-rxn:4:221209:227407,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(Cl)cnc4C(C)(C)C)cc3)CC2)n1,KVZMAAVOMNOCQX-UHFFFAOYSA-N
-rxn:4:221209:227447,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4c(F)ccc(C5CC5)c4F)cc3)CC2)n1,FQJVBGQOZQFTON-UHFFFAOYSA-N
-rxn:4:221209:227500,CCN(C)c1ncc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1Cl,RYDJXZHBOYUYRZ-UHFFFAOYSA-N
-rxn:4:221209:227507,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C=C[N+](=O)[O-])c4)cc3)CC2)n1,XFBFZHQOPZVWLX-UHFFFAOYSA-N
-rxn:4:221209:227514,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(Cl)nc(OC(C)C)c4)cc3)CC2)n1,NDVRFQOTVQVPTD-UHFFFAOYSA-N
-rxn:4:221209:227539,COc1cc(Cl)cc(OC)c1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,WEIWESHFAPNLNB-UHFFFAOYSA-N
-rxn:4:221209:227555,CCOc1c(Cl)ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1F,XPRKEACRCWIEOF-UHFFFAOYSA-N
-rxn:4:221209:227578,COc1cc(OC)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1Cl,AYJSKQPUTIITIK-UHFFFAOYSA-N
-rxn:4:221209:227591,COc1cc(C(F)F)ccc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,DZGBOBXAALPZGM-UHFFFAOYSA-N
-rxn:4:221209:227592,COc1cc(F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1OC,NQHXDEYCMDFHFN-UHFFFAOYSA-N
-rxn:4:221209:227656,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCOCC5)cs4)cc3)CC2)n1,TVXCXSWEFYIPGM-UHFFFAOYSA-N
-rxn:4:221209:227658,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(N(C)C)cc4Cl)cc3)CC2)n1,DSWRRZVVVMYFQA-UHFFFAOYSA-N
-rxn:4:221209:227693,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(Cl)cn1,WNMZLNPCHFFTHG-UHFFFAOYSA-N
-rxn:4:221209:227696,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(F)n1,VCGHTUDPUPYEKG-UHFFFAOYSA-N
-rxn:4:221209:227700,COc1ccc([N+](=O)[O-])c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,MKQBGJIVJAKHBT-UHFFFAOYSA-N
-rxn:4:221209:227734,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(Cl)cc([N+](=O)[O-])c4C)cc3)CC2)n1,NKNPVROISQJMTI-UHFFFAOYSA-N
-rxn:4:221209:227878,CCCCCc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)s1,JCOPDDLFPYUYNU-UHFFFAOYSA-N
-rxn:4:221233:222628,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)c4)CC3)ccc2n1,BOKFKMJEIKOZAY-UHFFFAOYSA-N
-rxn:4:221240:223594,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,VVTFZXBZRCBQOT-UHFFFAOYSA-N
-rxn:4:221240:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5c6c(nn5C)CCC6)C4)nc3)c(Cl)c2)CC1,WKZWUIKBUIQTMY-UHFFFAOYSA-N
-rxn:4:221245:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)c2)CC1,GDTYTNQLCPDUGM-UHFFFAOYSA-N
-rxn:4:221353:223831,COc1ccc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,POJGHDMUGUSZJZ-UHFFFAOYSA-N
-rxn:4:221369:224618,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cn3)C2)ccc1=O,CJKCOJFYHLXTOB-UHFFFAOYSA-N
-rxn:4:221395:223897,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCOCC1,HDEUQECOOFCFJO-UHFFFAOYSA-N
-rxn:4:221398:223945,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)CC1,AKUNSSDIPIAORC-UHFFFAOYSA-N
-rxn:4:221422:222838,CC(C)(C)C(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1,ULNQIRLKAUNTIM-UHFFFAOYSA-N
-rxn:4:221422:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,JJZFMUGXMOIZEP-UHFFFAOYSA-N
-rxn:4:221422:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,CVMOEYZRKPYMAQ-UHFFFAOYSA-N
-rxn:4:221432:225341,CCOc1ccc(OC(F)(F)F)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,CWSXRDXGDZOWQP-UHFFFAOYSA-N
-rxn:4:221435:226537,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1Cl,DULHGKMVVJIFQE-UHFFFAOYSA-N
-rxn:4:221437:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,XPGVEZHFYZLOQB-UHFFFAOYSA-N
-rxn:4:221439:223725,CCCCCc1ccc(-c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)c(F)c2)cc1,YBHOAVCXYCYVQA-UHFFFAOYSA-N
-rxn:4:221439:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1,XVVNQJNFATZEGE-UHFFFAOYSA-N
-rxn:4:221440:222658,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cc3)CC2)n1,DDUNLDABOZWJLX-UHFFFAOYSA-N
-rxn:4:221440:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,UNXPNACCUWSFSM-UHFFFAOYSA-N
-rxn:4:221440:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)cc3)c(Cl)c2)CC1,LRWPXPFDLJFYFZ-UHFFFAOYSA-N
-rxn:4:221440:227301,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4CN(C)C)cc3)CC2)n1,YQNVAZWIEXINNU-UHFFFAOYSA-N
-rxn:4:221440:227408,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)ncc4F)cc3)CC2)n1,IFMULELKGYGGGY-UHFFFAOYSA-N
-rxn:4:221440:227413,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,YPBPXHBHLDUBED-UHFFFAOYSA-N
-rxn:4:221440:227416,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCC5)c4)cc3)CC2)n1,DANLNDLHWMRTBO-UHFFFAOYSA-N
-rxn:4:221440:227419,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC5)nc4F)cc3)CC2)n1,DOZKDBIXTNPNBT-UHFFFAOYSA-N
-rxn:4:221440:227441,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)c(Cl)c4)cc3)CC2)n1,VFEUHBFWVIHGMA-UHFFFAOYSA-N
-rxn:4:221440:227447,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ccc(C5CC5)c4F)cc3)CC2)n1,LUIDEMMFXIPRCH-UHFFFAOYSA-N
-rxn:4:221440:227450,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CC5(F)F)c4)cc3)CC2)n1,VESQFUKFKHZOQJ-UHFFFAOYSA-N
-rxn:4:221442:222654,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)n1,UHXPIZLQYLRZKU-UHFFFAOYSA-N
-rxn:4:221448:223602,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)n1,WNQHNZSBVDXDJK-UHFFFAOYSA-N
-rxn:4:221449:222968,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(C)C)cc4)cc3)CC2)n1,BJBOVQHNQSPHQV-UHFFFAOYSA-N
-rxn:4:221449:223154,CCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,RDOOITDALFWQAW-UHFFFAOYSA-N
-rxn:4:221449:224796,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cc3)CC2)n1,QIFIPDOLEAQZHE-UHFFFAOYSA-N
-rxn:4:221449:224917,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4C)cc3)CC2)n1,UUPQYQHOQWTYGV-UHFFFAOYSA-N
-rxn:4:221449:225427,CCCCOc1c(C)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C,SPRVDRNZTYWNOA-UHFFFAOYSA-N
-rxn:4:221449:225584,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)CC2)n1,QEKSUFOTXAFYAY-UHFFFAOYSA-N
-rxn:4:221449:225827,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)n1,QHJKJYHCCYRJFX-UHFFFAOYSA-N
-rxn:4:221449:227115,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(C5CC5)cc4F)cc3)CC2)n1,WKQJISOWRYTODO-UHFFFAOYSA-N
-rxn:4:221453:222980,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCNCC5)cc4)cc3)CC2)n1,QSFGXBLJDVEMLQ-UHFFFAOYSA-N
-rxn:4:221453:223057,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)CC2)n1,HINMWNFMKUDYBH-UHFFFAOYSA-N
-rxn:4:221453:223119,C#CCNC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,UAMXHRLPXQHLRD-UHFFFAOYSA-N
-rxn:4:221453:223122,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(NC(=O)C(C)C)c4)cc3)CC2)n1,YLEQHGSDHQKYEH-UHFFFAOYSA-N
-rxn:4:221453:223139,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)n1,UUXXRNQZSWTZEY-UHFFFAOYSA-N
-rxn:4:221453:223162,CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,MPCQIPROBHPMRV-UHFFFAOYSA-N
-rxn:4:221453:223169,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCNCC5)nc4)cc3)CC2)n1,JVUAARZOCDDYQH-UHFFFAOYSA-N
-rxn:4:221453:223506,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,MDJGKHXZELCVSA-UHFFFAOYSA-N
-rxn:4:221453:223557,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)CC2)n1,OHGRMNWLTQZWSV-UHFFFAOYSA-N
-rxn:4:221453:223754,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,XHAZONFMRQFCGM-UHFFFAOYSA-N
-rxn:4:221453:224014,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(-c5cccc(C(F)(F)F)c5)nc4Cl)cc3)CC2)n1,JRPYDSRYHMPPSG-UHFFFAOYSA-N
-rxn:4:221453:224481,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCCC5)cc4)cc3)CC2)n1,BYFTYPJPPVORNP-UHFFFAOYSA-N
-rxn:4:221453:224652,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,LBUCTVHCRDYBBT-UHFFFAOYSA-N
-rxn:4:221453:224669,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc3)CC2)n1,YJVXSWAKNSOBSR-UHFFFAOYSA-N
-rxn:4:221453:226093,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(SCCC(C)C)cc4)cc3)CC2)n1,IQSLQACOTWZAHF-UHFFFAOYSA-N
-rxn:4:221453:226129,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(CN5CCCC5)c4)cc3)CC2)n1,JBSFZPAKMFZVFR-UHFFFAOYSA-N
-rxn:4:221453:226471,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN(C)C)nc4)cc3)CC2)n1,ARGGOZJGCNCYQY-UHFFFAOYSA-N
-rxn:4:221453:226911,CCc1cc(C)cc(CC)c1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YUFBCTSCDZXTKV-UHFFFAOYSA-N
-rxn:4:221453:227185,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2)n1,DYMXIGKBPRTZRJ-UHFFFAOYSA-N
-rxn:4:221455:227415,CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c(F)n1,HIPYAARBDIJDDA-UHFFFAOYSA-N
-rxn:4:221456:227408,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)ncc4F)cc3)CC2)n1,FLARGUHJQNBYOI-UHFFFAOYSA-N
-rxn:4:221456:227413,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,BXRBUAWYQLMSHW-UHFFFAOYSA-N
-rxn:4:221456:227416,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCC5)c4)cc3)CC2)n1,JVMPTRSOVQPDNE-UHFFFAOYSA-N
-rxn:4:221456:227419,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC5)nc4F)cc3)CC2)n1,PQZIUQNSEKAWMC-UHFFFAOYSA-N
-rxn:4:221456:227441,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)c(Cl)c4)cc3)CC2)n1,LBTSXYJMMYSRKW-UHFFFAOYSA-N
-rxn:4:221456:227447,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ccc(C5CC5)c4F)cc3)CC2)n1,ORLZSYWTZFLENT-UHFFFAOYSA-N
-rxn:4:221456:227450,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CC5(F)F)c4)cc3)CC2)n1,RTSQUEIMUBBKHG-UHFFFAOYSA-N
-rxn:4:221456:227451,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5(F)F)cc4)cc3)CC2)n1,YZWUMPJGWXQFGZ-UHFFFAOYSA-N
-rxn:4:221492:222682,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5cccc(OC)c5NC(=O)OC(C)(C)C)o4)CC3)n2n1,NGBZFWVPMAVFPY-UHFFFAOYSA-N
-rxn:4:221498:224666,CN1CCN(Cc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccc2F)CC1,GORPHCMCEICLAS-UHFFFAOYSA-N
-rxn:4:221498:224738,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cc(OCC5CC5)cc(C(F)(F)F)c4)c23)CC1,HTXMKXDHBLFLRW-UHFFFAOYSA-N
-rxn:4:221634:224770,Cc1cc(-c2cnc(N3CCN(c4nccc(C)n4)CC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,CQMVUPZXPOMVCT-UHFFFAOYSA-N
-rxn:4:221726:222819,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)CC1,GJZWSQXNYHWOMQ-UHFFFAOYSA-N
-rxn:4:221726:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,KUKQRPFBIMJNAG-UHFFFAOYSA-N
-rxn:4:221731:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1,UOFXAXBROYIBPJ-UHFFFAOYSA-N
-rxn:4:221736:224654,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(F)c(O[Si](C)(C)C(C)(C)C)c6)c5)CC4C3)n1)CCC2,UAJSAAHZQPVDMY-UHFFFAOYSA-N
-rxn:4:221836:223952,CN1CCN(CCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2Cl)CC1,VRHUBVCAEOXTOA-UHFFFAOYSA-N
-rxn:4:221836:225805,CC(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,BREAPUHWXSSROJ-UHFFFAOYSA-N
-rxn:4:221920:223170,CCOc1ccc(-c2cnc(C3CCCNC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,HKHKMMDMWBAVLY-UHFFFAOYSA-N
-rxn:4:221935:224372,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cn2)C1,URFNSFXANPBIBC-UHFFFAOYSA-N
-rxn:4:221975:222398,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)NC7CC7)c(C)c6)cc5)no4)C3C2=O)cc1,NDGWHYPYDBHIKP-UHFFFAOYSA-N
-rxn:4:221975:222402,CCCNC(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,KSERALWHKZCCIY-UHFFFAOYSA-N
-rxn:4:221975:222448,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NCc7ccccc7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,XAVFEJRBEHSQIV-UHFFFAOYSA-N
-rxn:4:221975:222702,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,ISBNNIYIPPQASL-UHFFFAOYSA-N
-rxn:4:221975:222824,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)NC(C)C)c(C)cc6F)cc5)no4)C3C2=O)cc1,SZESRICAFYEXLX-UHFFFAOYSA-N
-rxn:4:221975:222838,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)C(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,KTDREAPKXAWNFK-UHFFFAOYSA-N
-rxn:4:221975:222874,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,NNXXVCBETDUYPV-UHFFFAOYSA-N
-rxn:4:221975:222896,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,VSLJRBOLWIJAFY-UHFFFAOYSA-N
-rxn:4:221975:222968,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC(C)C)cc6)cc5)no4)C3C2=O)cc1,XSFBZPUNYOWJRY-UHFFFAOYSA-N
-rxn:4:221975:222998,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,YLHOGAOKDXCGDS-UHFFFAOYSA-N
-rxn:4:221975:223004,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1,UFNFANBORHBERL-UHFFFAOYSA-N
-rxn:4:221975:223006,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1,SJFWPWBDBGESPU-UHFFFAOYSA-N
-rxn:4:221975:223047,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,GYFUOKPUGHGEEQ-UHFFFAOYSA-N
-rxn:4:221975:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,XEHRGTRRJLJWNN-UHFFFAOYSA-N
-rxn:4:221975:223576,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1,CUFOVGAJILCOLM-UHFFFAOYSA-N
-rxn:4:221975:223767,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7ccc(C#N)cc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,WLYXIUFWRNKIID-UHFFFAOYSA-N
-rxn:4:221975:223954,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(=O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,ZIDXHOWZBRNCFJ-UHFFFAOYSA-N
-rxn:4:221975:224009,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,TVJIHJQJXJMBRS-UHFFFAOYSA-N
-rxn:4:221975:224172,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,ISDOVYLARGSKQO-UHFFFAOYSA-N
-rxn:4:221975:224582,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C8CC8)CC7)c6)cc5)no4)C3C2=O)cc1,OQCRZXUAKBGARK-UHFFFAOYSA-N
-rxn:4:221975:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ZGYJMJOUQPZFNH-UHFFFAOYSA-N
-rxn:4:221975:224634,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,NUHGTGXVTCLVRA-UHFFFAOYSA-N
-rxn:4:221975:224668,CCN1CCN(c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)CC1,HMQTYHHUWMSURL-UHFFFAOYSA-N
-rxn:4:221975:224682,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,UWAPBDMLZWHHBN-UHFFFAOYSA-N
-rxn:4:221975:224712,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(OC(C)=O)OC(C)=O)cc6)cc5)no4)C3C2=O)cc1,MCPQIIDDHPLDMG-UHFFFAOYSA-N
-rxn:4:221975:224742,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7OCCO7)c(OC)cc6OC)cc5)no4)C3C2=O)cc1,IKEAPRYXXKFNQO-UHFFFAOYSA-N
-rxn:4:221975:224766,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,BCXDQIWCINMEJD-UHFFFAOYSA-N
-rxn:4:221975:224811,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,GXWBBQOQPSYIGJ-UHFFFAOYSA-N
-rxn:4:221975:224999,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,BMMDWCKQIVIHDQ-UHFFFAOYSA-N
-rxn:4:221975:225043,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCCCC7)c(F)c6)cc5)no4)C3C2=O)cc1,GLGVHTNWOCHKDL-UHFFFAOYSA-N
-rxn:4:221975:225053,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6F)cc5)no4)C3C2=O)cc1,BBVYDGPSPNSFTO-UHFFFAOYSA-N
-rxn:4:221975:225226,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCC(C)CC7)ncc6F)cc5)no4)C3C2=O)cc1,POISXROESSQRCC-UHFFFAOYSA-N
-rxn:4:221975:225234,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)c(F)c6F)cc5)no4)C3C2=O)cc1,BZLSCCIKFJYFCV-UHFFFAOYSA-N
-rxn:4:221975:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ACIKYSNEDIXIFW-UHFFFAOYSA-N
-rxn:4:221975:225294,CCN1CCN(c2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)cn2)CC1,GJCNBPUQWWNERJ-UHFFFAOYSA-N
-rxn:4:221975:225339,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6COCC(F)(F)F)cc5)no4)C3C2=O)cc1,NOKGFWNCVUJSIF-UHFFFAOYSA-N
-rxn:4:221975:225438,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCCC7)cc6)cc5)no4)C3C2=O)cc1,CVKDGZSTENJYDW-UHFFFAOYSA-N
-rxn:4:221975:225515,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7c6OCC(C)(C)CO7)cc5)no4)C3C2=O)cc1,CGUVGADYGINKHE-UHFFFAOYSA-N
-rxn:4:221975:225623,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,LBPOOWNTQDHAKP-UHFFFAOYSA-N
-rxn:4:221975:225749,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)C)ccc6OC)cc5)no4)C3C2=O)cc1,ZKKZIQODYJUPAF-UHFFFAOYSA-N
-rxn:4:221975:225768,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)c(OC(C)C)c(OC)c6)cc5)no4)C3C2=O)cc1,AOYKXLCVTFZGEN-UHFFFAOYSA-N
-rxn:4:221975:225776,CCCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,QSZJUPGBOYYWLK-UHFFFAOYSA-N
-rxn:4:221975:225797,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(C)C)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,IFWWBZAMKCDOTJ-UHFFFAOYSA-N
-rxn:4:221975:225816,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,YFKXTWVZUHPFHD-UHFFFAOYSA-N
-rxn:4:221975:225833,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCCC7)c6F)cc5)no4)C3C2=O)cc1,JPKGKAJBBCNDGR-UHFFFAOYSA-N
-rxn:4:221975:225908,CCOc1ccc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,KGKOENUENKRFLA-UHFFFAOYSA-N
-rxn:4:221975:225917,CCOC(=O)c1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)c1,RBGZQYSXYYLZDA-UHFFFAOYSA-N
-rxn:4:221975:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,WTZOTEMVEXTJBF-UHFFFAOYSA-N
-rxn:4:221975:225985,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCS7(=O)=O)c6)cc5)no4)C3C2=O)cc1,NSGGIVXGHCYVEG-UHFFFAOYSA-N
-rxn:4:221975:225987,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCS7(=O)=O)cc6)cc5)no4)C3C2=O)cc1,GYBOEKGKRBVUPA-UHFFFAOYSA-N
-rxn:4:221976:222935,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)c5)no4)C3C2=O)cc1,CRFMDFINMWBNKV-UHFFFAOYSA-N
-rxn:4:221976:222956,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(C)cc6C6CCCNC6)c5)no4)C3C2=O)cc1,ZQWHLYZTRMJLJP-UHFFFAOYSA-N
-rxn:4:221976:224683,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(F)cc(C(=O)N7CCCCC7)c6)c5)no4)C3C2=O)cc1,BRDOQORSWAURIL-UHFFFAOYSA-N
-rxn:4:221978:222684,Clc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)ccc1OCCN1CCNCC1,BNJWGVACOQYDHH-UHFFFAOYSA-N
-rxn:4:221980:224569,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(OCC6CCCCC6)c5)c4)sc3n2)CC1,RFTHUQCGPNDYLJ-UHFFFAOYSA-N
-rxn:4:221980:225975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5Cl)c4)sc3n2)CC1,LNJMXGFNKGXCGA-UHFFFAOYSA-N
-rxn:4:221982:222486,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(-c7cncc(C8CCCCN8)c7)c6)cc5)no4)C3C2=O)cc1,VQSFMQIZDLCISS-UHFFFAOYSA-N
-rxn:4:221982:222604,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC1CCCC1,NATNUFBROGIZNC-UHFFFAOYSA-N
-rxn:4:221982:222748,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCC7CCCO7)c6)cc5)no4)C3C2=O)cc1,TYOBBOGGIYMBAM-UHFFFAOYSA-N
-rxn:4:221982:222790,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,LTYVBWWNAVJSLO-UHFFFAOYSA-N
-rxn:4:221982:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,QQIDRJKNSHZLDR-UHFFFAOYSA-N
-rxn:4:221982:222855,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,RVZATACWBJRDHS-UHFFFAOYSA-N
-rxn:4:221982:222887,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCNCC7)c6)cc5)no4)C3C2=O)cc1,SSSUBRMYKHYDQH-UHFFFAOYSA-N
-rxn:4:221982:223004,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)no4)C3C2=O)cc1,WFFBBWLPZIMSHJ-UHFFFAOYSA-N
-rxn:4:221982:223010,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(O)CCOCC7)cc6)cc5)no4)C3C2=O)cc1,FQECIRKZGOUXTF-UHFFFAOYSA-N
-rxn:4:221982:223053,CC(C)NC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)c1,ILYUPIIRAXIEFO-UHFFFAOYSA-N
-rxn:4:221982:223056,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1,CCFLQRUYQXRXCY-UHFFFAOYSA-N
-rxn:4:221982:223121,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)cc6)cc5)no4)C3C2=O)cc1,LHILLULLBFILFL-UHFFFAOYSA-N
-rxn:4:221982:223144,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(O)C7)cc6)cc5)no4)C3C2=O)cc1,KZSNQCCKANAJGW-UHFFFAOYSA-N
-rxn:4:221982:223187,CONS(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,ADLQBJKCPNAHGC-UHFFFAOYSA-N
-rxn:4:221982:223532,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1,MQOQOEMSURRZLZ-UHFFFAOYSA-N
-rxn:4:221982:223664,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COc7ccc(OC(F)(F)F)cc7)cc6)cc5)no4)C3C2=O)cc1,JSLWYFLNCBWKRR-UHFFFAOYSA-N
-rxn:4:221982:223795,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCc7ccccc7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,YKAYFOWJAHXVTM-UHFFFAOYSA-N
-rxn:4:221982:223902,CC1CCN(CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2F)CC1,QWGNDBMOBUYYAW-UHFFFAOYSA-N
-rxn:4:221982:223918,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N(C)C7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,BRBJKWLZSIIJMS-UHFFFAOYSA-N
-rxn:4:221982:224161,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,UOIRHDCDZVFGRC-UHFFFAOYSA-N
-rxn:4:221982:224281,COc1cc(OC)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c(OC)nc2c1,LYQUZKWKOMMYQK-UHFFFAOYSA-N
-rxn:4:221982:224376,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,CPYYQQRHQZBTAZ-UHFFFAOYSA-N
-rxn:4:221982:224379,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCN(C)CC6)cc5)no4)C3C2=O)cc1,VXFYJDYHZVPUGF-UHFFFAOYSA-N
-rxn:4:221982:224582,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C8CC8)CC7)c6)cc5)no4)C3C2=O)cc1,JTWYFNYHYKMFGO-UHFFFAOYSA-N
-rxn:4:221982:224620,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CO[Si](C)(C)C(C)(C)C)nc6)cc5)no4)C3C2=O)cc1,OLMMAHUMYMSVLZ-UHFFFAOYSA-N
-rxn:4:221982:224663,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,JMHMRBPFAUSQMB-UHFFFAOYSA-N
-rxn:4:221982:224680,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,PBVABPQJHGPFKR-UHFFFAOYSA-N
-rxn:4:221982:224722,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,BHRMUVGCBUGJBW-UHFFFAOYSA-N
-rxn:4:221982:225109,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,IESDDZNMLBMAJW-UHFFFAOYSA-N
-rxn:4:221982:225264,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C(=O)OC,ZSVMOUKEFZYXNB-UHFFFAOYSA-N
-rxn:4:221982:225312,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1,JNFDBTUFLDYAFK-UHFFFAOYSA-N
-rxn:4:221982:225381,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,YCJDGMCYVCHBJB-UHFFFAOYSA-N
-rxn:4:221982:225382,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,QKDYOPFOTJCUQQ-UHFFFAOYSA-N
-rxn:4:221982:225456,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,ARMHTJNELQOAGT-UHFFFAOYSA-N
-rxn:4:221982:225465,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,WSWGMOQIKKLNPS-UHFFFAOYSA-N
-rxn:4:221982:225553,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C(C)C)cc6)cc5)no4)C3C2=O)cc1,CNJSKTXQMGMDON-UHFFFAOYSA-N
-rxn:4:221982:225797,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)(C)C)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,XQDUXXLHDCILEH-UHFFFAOYSA-N
-rxn:4:221982:226131,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCCC6)cc5)no4)C3C2=O)cc1,FHEWJSZTFRESNS-UHFFFAOYSA-N
-rxn:4:221982:226274,CC(C)Oc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C#N,BOQHHTHDIAOONU-UHFFFAOYSA-N
-rxn:4:221982:226294,COc1cc(OC(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,DWWBIXKIEFPHRW-UHFFFAOYSA-N
-rxn:4:221982:226382,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCCCC7)nc6)cc5)no4)C3C2=O)cc1,ODJDBICNXNGJRB-UHFFFAOYSA-N
-rxn:4:221982:226464,COc1ccc2c(c1-c1ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc1)OCCO2,KQOCKGCGNRUPSA-UHFFFAOYSA-N
-rxn:4:221982:226481,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1OCC#N,VYUNZALXXYIFMX-UHFFFAOYSA-N
-rxn:4:221982:226536,COc1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1OC,RGPSUKVYAQTESX-UHFFFAOYSA-N
-rxn:4:221982:226575,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C)c(F)c6)cc5)no4)C3C2=O)cc1,LOFUZKFBMXZJFC-UHFFFAOYSA-N
-rxn:4:221982:226739,CC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1[N+](=O)[O-],ANBLXTYNSJVKQV-UHFFFAOYSA-N
-rxn:4:221982:226763,COC(=O)c1c(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1F,KOBBHTDJLYDZEZ-UHFFFAOYSA-N
-rxn:4:221982:226854,COc1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],JHXFTGNTVBZHLI-UHFFFAOYSA-N
-rxn:4:221982:226883,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ccc(C(F)(F)F)c6F)cc5)no4)C3C2=O)cc1,YCHRACGVHNORKJ-UHFFFAOYSA-N
-rxn:4:221994:224683,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)cc(C(=O)N6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CGVFMLDYJAAZDF-UHFFFAOYSA-N
-rxn:4:222039:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)c1,RKTQHIGZRGPORX-UHFFFAOYSA-N
-rxn:4:222056:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)c2)CC1,VBKYXYAIVAYHCA-UHFFFAOYSA-N
-rxn:4:222060:222694,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cc4)CC3)nn2)c(C)c1C,DDWVUFFBLSPAOR-UHFFFAOYSA-N
-rxn:4:222062:222833,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,GMPXZGRTBZAADT-UHFFFAOYSA-N
-rxn:4:222062:223180,CONC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1F,MGMLYPHDSUNGAW-UHFFFAOYSA-N
-rxn:4:222075:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)c2)CC1,ARGVQGMLLMNGMB-UHFFFAOYSA-N
-rxn:4:222088:224746,CC(=O)N1CCN(c2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)c3)cn2)CC1,MTKVSLSGALXEEY-UHFFFAOYSA-N
-rxn:4:222089:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,YGNFXFBKKXMOSV-UHFFFAOYSA-N
-rxn:4:222089:222622,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,NLFCMWOCRXFXFB-UHFFFAOYSA-N
-rxn:4:222089:222645,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCCN6CCC(O)CC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ZBLXUPWQVOIRQA-UHFFFAOYSA-N
-rxn:4:222089:222648,Cc1cc(C)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1NC(=O)OC(C)(C)C,UNIQPGYJYGDOCO-UHFFFAOYSA-N
-rxn:4:222089:222712,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1F,OVHHIAMDFIIYAB-UHFFFAOYSA-N
-rxn:4:222089:222723,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(NS(=O)(=O)N6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PVAGSKHMPYTTLS-UHFFFAOYSA-N
-rxn:4:222089:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,FXCZTQWGROROSE-UHFFFAOYSA-N
-rxn:4:222089:222851,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,CLONMDZUDUJVRN-UHFFFAOYSA-N
-rxn:4:222089:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,MSLVPMLTZDTWJA-UHFFFAOYSA-N
-rxn:4:222089:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,RNUXVPRVEHPVRK-UHFFFAOYSA-N
-rxn:4:222089:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc2cccnc12,MDSHHYIIEVCCQM-UHFFFAOYSA-N
-rxn:4:222089:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,SUCMDRXOWUURIY-UHFFFAOYSA-N
-rxn:4:222089:223814,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SLNQNFNFMIADHM-UHFFFAOYSA-N
-rxn:4:222089:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,WKUNDWZDBAMOEA-UHFFFAOYSA-N
-rxn:4:222089:223887,Cc1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)n(C(=O)OC(C)(C)C)c2ccccc12,WSXUBQOFPBHKGE-UHFFFAOYSA-N
-rxn:4:222089:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,RVDRFXDCQOBNAX-UHFFFAOYSA-N
-rxn:4:222089:223926,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YNUHNSJIWKQPQT-UHFFFAOYSA-N
-rxn:4:222089:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc21,YHHNQRQXZJMCJQ-UHFFFAOYSA-N
-rxn:4:222089:223951,CN1CCN(CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2F)CC1,KCWDGPYXQAMBBA-UHFFFAOYSA-N
-rxn:4:222089:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,AEKZXPQDPBYOMB-UHFFFAOYSA-N
-rxn:4:222089:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,HUNUEVREMUKFRZ-UHFFFAOYSA-N
-rxn:4:222089:224774,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCCC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,WVJUTGAMYAHUMS-UHFFFAOYSA-N
-rxn:4:222089:224959,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCC6CCCCO6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ACOGTQPQYWTAPC-UHFFFAOYSA-N
-rxn:4:222089:225008,COC1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,UGPYXFHIZILURZ-UHFFFAOYSA-N
-rxn:4:222089:225144,N#Cc1cc(N2CCOCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,YGUBRQWXGMRIPI-UHFFFAOYSA-N
-rxn:4:222089:225200,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(F)c(OC6CCCC6)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,JZAAKFHFJQGACW-UHFFFAOYSA-N
-rxn:4:222089:225234,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCCCC6)c(F)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GUYDOUCKABEJGR-UHFFFAOYSA-N
-rxn:4:222089:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,BXKLRGISLOCIEM-UHFFFAOYSA-N
-rxn:4:222089:225365,CC(C)Oc1c(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1F,PYJAHGJGWVCBOS-UHFFFAOYSA-N
-rxn:4:222089:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,IVSHBTYTLDXNEO-UHFFFAOYSA-N
-rxn:4:222108:223023,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,WDJDHCXLIMUFKW-UHFFFAOYSA-N
-rxn:4:222108:225320,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(F)c6F)cc5)no4)C3C2=O)cc1F,AGBXOFDYKVZBKA-UHFFFAOYSA-N
-rxn:4:222108:225759,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1F,NLDHTHFRSIVCEZ-UHFFFAOYSA-N
-rxn:4:222124:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)c1,HMYOQHMGIMCOOL-UHFFFAOYSA-N
-rxn:4:222138:225313,CN1CCN(c2ccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c(F)n2)CC1,WXAYSBHKFWITTE-UHFFFAOYSA-N
-rxn:4:222149:223608,O=S(=O)(c1cc(-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)ccc1OC(F)(F)F)N1CCOCC1,SWURYINXWQNKTK-UHFFFAOYSA-N
-rxn:4:222153:223695,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)CC2)n1,LUCHPLFSZGRJSU-UHFFFAOYSA-N
-rxn:4:222161:223602,Cn1nc(C2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n(C2CC2)c1=O,INELMCRXUUXEED-UHFFFAOYSA-N
-rxn:4:222175:223592,Cn1c(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)C2)nc2cccnc21,YHJPFSWAADHSKZ-UHFFFAOYSA-N
-rxn:4:222193:224126,CCN1CCN(C(C)c2cccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,DLYWQOOXSHATEA-UHFFFAOYSA-N
-rxn:4:222194:223674,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5ccc(COc6cc(C(F)(F)F)ccc6Cl)cc5)cn4)CC3)n1)CCC2,QZBZLGPCOZDJEM-UHFFFAOYSA-N
-rxn:4:222194:224325,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)cn4)CC3)n1)CCC2,NLLBOAFHDCUTEP-UHFFFAOYSA-N
-rxn:4:222194:224683,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5cc(F)cc(C(=O)N6CCCCC6)c5)cn4)CC3)n1)CCC2,LFGZCVADBLYMLD-UHFFFAOYSA-N
-rxn:4:222203:222601,CC(C)(C)OC(=O)Nc1nc2c(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)cccc2s1,WXXBLFXNTRMPIM-UHFFFAOYSA-N
-rxn:4:222203:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)c(F)c2)CC1,GXVQUOMVMPGSLE-MCZWQBSQSA-N
-rxn:4:222229:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2Cl)CC1,HQCXAVNUCRQEQL-UHFFFAOYSA-N
-rxn:4:222331:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1,HOOQDVDNXHIODY-UHFFFAOYSA-N
-rxn:4:222332:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cnc1Cl,LEEQCNITMQTOMW-UHFFFAOYSA-N
-rxn:4:222336:223536,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)n2)n1,CTYIAPFRKKJJLX-UHFFFAOYSA-N
-rxn:4:222338:223661,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C(=O)OCc5ccccc5)cc([N+](=O)[O-])c4)cn3)CC2)n1,KSUDUUDPSRNRIX-UHFFFAOYSA-N
-rxn:4:222349:224394,Cc1ccc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc1S(=O)(=O)N1CCOCC1,JTZKLXSOYNHOLJ-UHFFFAOYSA-N
-rxn:4:222361:222583,COCCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)cn5)CC4C3)ncnc21,NJZDGLHXCGJTBX-UHFFFAOYSA-N
-rxn:4:222362:223660,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc6[nH]ncc56)nn4)cn3c2)CC1,DATNIEXLPVKVBG-UHFFFAOYSA-N
-rxn:4:222380:223660,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cn5)CC4C3)ncnc21,FIYZXOLUYLMYTH-UHFFFAOYSA-N
-rxn:4:222380:224325,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C7=CCN(S(C)(=O)=O)CC7)cc6)cn5)CC4C3)ncnc21,SNZFEWPMXXDAMX-UHFFFAOYSA-N
-rxn:4:222380:224360,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)OC)n6C(=O)OC(C)(C)C)cn5)CC4C3)ncnc21,LABALBMYIXKEJH-UHFFFAOYSA-N
-rxn:4:222387:223481,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC(O[Si](C)(C)C(C)(C)C)CC7)cc6F)cn5)CCO4)c3n2)cn1,WGKPENFBCWAAMI-UHFFFAOYSA-N
-rxn:4:222387:223497,CC(c1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MYCCKRJMWXVRPT-UHFFFAOYSA-N
-rxn:4:222387:223503,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6c(F)cc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6F)cn5)CCO4)c3n2)cn1,YHZYMCYPSRRIQU-UHFFFAOYSA-N
-rxn:4:222389:197060,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(N2CCC(C)CC2)c1,SEMYPXBRYPUOFR-UHFFFAOYSA-N
-rxn:4:222521:188681,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cc(C(F)(F)F)c1,DTGSCVNZXBBXBD-UHFFFAOYSA-N
-rxn:4:222543:185487,CCC(CC)n1ccc2c(C(=O)OC)cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cc21,SNIVQQLZMNUZTP-UHFFFAOYSA-N
-rxn:4:222543:187295,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1,TZKVCLFKHSBPBJ-UHFFFAOYSA-N
-rxn:4:222573:212568,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cc1,VMJMUBLLEORMQW-UHFFFAOYSA-N
-rxn:4:222583:188681,NS(=O)(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1OC(F)(F)F,VCIILASAUJPYGP-UHFFFAOYSA-N
-rxn:4:222712:214254,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cnc21,YROUWOBWMHUMBA-UHFFFAOYSA-N
-rxn:4:222723:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,JWKRUVFSGWCBFT-UHFFFAOYSA-N
-rxn:4:222742:176018,COc1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)c(F)cc1OCC1CCCCC1,BXQKKSPFHABEJW-UHFFFAOYSA-N
-rxn:4:222811:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,XAVVKQSGDPQUNP-UHFFFAOYSA-N
-rxn:4:222940:185268,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,LLKVSIYMSFNNDI-UHFFFAOYSA-N
-rxn:4:223071:214805,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,GSSBVHGRJVBBEV-UHFFFAOYSA-N
-rxn:4:223080:187648,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1,FURWCPFUESMHSS-UHFFFAOYSA-N
-rxn:4:223531:188681,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2Cl)CC1,UFRZRGAMHNUEBO-UHFFFAOYSA-N
-rxn:4:223580:215027,COC(=O)c1ccc2c(c1)cc(-c1cnn3c1N(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,VDPXJHZOXDOUPU-UHFFFAOYSA-N
-rxn:4:223660:188681,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)s2)CC1,DWQLEWVPHIJURR-UHFFFAOYSA-N
-rxn:4:223771:178372,COc1ccc2c(c1)cc(-c1ccc(CC3CC(C(C)(C)C)CCC3=O)cc1)n2C(=O)OC(C)(C)C,ITZRHMLCNNLCLC-UHFFFAOYSA-N
-rxn:5:177185:226583:223062,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,JLBSHNLCQBESAI-UHFFFAOYSA-N
-rxn:5:177190:222994:226583,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cccc(N3CCC(O)CC3)c2)c1,GWBIJUNKVRPSSC-UHFFFAOYSA-N
-rxn:5:177190:223054:225684,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,JEHNLCYRXRPYJK-UHFFFAOYSA-N
-rxn:5:177190:223054:226665,CCS(=O)(=O)Cc1ccc(-c2cnc(C3CCCOC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,CXVAQJFNTVTKBC-UHFFFAOYSA-N
-rxn:5:177190:225636:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,PXGFQNWBSDZTFM-UHFFFAOYSA-N
-rxn:5:177190:225805:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,ACRRIPXBPAEVSW-UHFFFAOYSA-N
-rxn:5:177190:226426:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCC(C)CC3)s2)c1,ZHNGJOBMEJIKED-UHFFFAOYSA-N
-rxn:5:177193:223061:225800,CCOC(=O)c1cc(C)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(C(=O)N2CCSC2)cc1,ZQOOOJKHWDVVNW-UHFFFAOYSA-N
-rxn:5:177193:223064:226662,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(N2CCN(C)CC2)s1,RILBTSCAQBDZRO-UHFFFAOYSA-N
-rxn:5:177373:225881:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccc(C3CCOCC3)nc2F)c1,FGPLGKWLLSZRLO-UHFFFAOYSA-N
-rxn:5:177447:226836:225822,COc1cc(-c2cn(C(C)C)nc2C(F)(F)F)cc(-c2cccc(C(F)(F)F)c2C2CC2)c1OC(C)C,NBFADUQACOPUSO-UHFFFAOYSA-N
-rxn:5:177731:223054:227379,CC(c1ccc(-c2cc(-c3cccnc3N3CCCC3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,LJCDHBOFSVTJJM-UHFFFAOYSA-N
-rxn:5:177731:225438:223135,CC(c1ccc(-c2cc(-c3cccnc3C3CCCNC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,NAHCUOYJBOEWQK-UHFFFAOYSA-N
-rxn:5:177732:225638:226661,CC1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3cc(N4CCN(C)CC4)cs3)cn2)CC1,XGRYKDBDECPBES-UHFFFAOYSA-N
-rxn:5:177733:225438:223133,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3N3CCNCC3)c2)cc1)N1CCCC1,CBTJUJVOEDTJDU-UHFFFAOYSA-N
-rxn:5:177733:226649:226330,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccnc3N3CCOCC3)c2)s1)N1CCCC1,HPEILTCJBDBZSQ-UHFFFAOYSA-N
-rxn:5:177734:223018:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)C)c(C)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C)c1,VPPJHVGJJZAZTR-UHFFFAOYSA-N
-rxn:5:177735:222405:226588,Cc1cc(C(=O)OC(C)C)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1-c1cc(OC2CCC2)ncc1F,JFERKAXTKFNPKZ-UHFFFAOYSA-N
-rxn:5:177736:225805:226679,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCCC3)cc2F)s1)N1CCOCC1,DWZRQNMWYRGPOL-UHFFFAOYSA-N
-rxn:5:177737:225438:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,MKQMOEBGWLUGMQ-UHFFFAOYSA-N
-rxn:5:177737:226330:226422,CC(c1ccc(-c2ccc(-c3cc(F)ccc3N3CCCC3)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,FLGGPFKPIIPAHX-UHFFFAOYSA-N
-rxn:5:177739:223054:227387,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccnc(N3CCCC3)c2)s1)N1CCC(O)C1,ZEKYNWLGORSKIO-UHFFFAOYSA-N
-rxn:5:177739:223065:226794,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cnc(N2CCSCC2)nc1,KGZVHPDXWDBRJP-UHFFFAOYSA-N
-rxn:5:177850:226733:223135,CCOc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C2OCCO2)c1-c1cccnc1C1CCCNC1,UOHQSDVKSMTOSP-UHFFFAOYSA-N
-rxn:5:177850:226734:223138,CCOc1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1-c1ccnc(C2CCNCC2)c1,FMVAHHCVJDYUJU-UHFFFAOYSA-N
-rxn:5:177891:222956:227710,Cc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(OS(C)(=O)=O)cc2)c(C2CCCNC2)c1,NBFCOKWZELKDFI-UHFFFAOYSA-N
-rxn:5:177891:225514:228794,C[Si](C)(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc3c2OCC2(CC2)CO3)s1,DGIZWAZRBAZXDC-UHFFFAOYSA-N
-rxn:5:177891:225597:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCCCC3)nc2)c1,JKTARGLLNKLWBL-UHFFFAOYSA-N
-rxn:5:177891:225803:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,CVTRODVPPBMTGT-UHFFFAOYSA-N
-rxn:5:177891:225805:227449,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)s1)N1CCOCC1,XQAVMNDWTGNLFL-UHFFFAOYSA-N
-rxn:5:177891:226182:222420,NS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1C1CCCCC1,TWBPMYJZQMRCFL-UHFFFAOYSA-N
-rxn:5:177891:226335:227626,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCOC3)nc2)ccc1C1COC1,QRHCRLPUFPWQDF-UHFFFAOYSA-N
-rxn:5:177891:226583:225636,CC1CCN(c2cc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(CN4CCOCC4)s3)ccn2)CC1,CYMQIRDIOGSKOX-UHFFFAOYSA-N
-rxn:5:177891:226583:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,CBPQWZBNJYEHLC-UHFFFAOYSA-N
-rxn:5:177891:226586:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1ccnc(OC2CCOC2)c1,HQVQETFNFQXGCV-UHFFFAOYSA-N
-rxn:5:177891:226649:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1cccnc1N1CCOCC1,BJWMHKVTTBHSGJ-UHFFFAOYSA-N
-rxn:5:177891:226685:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cnc(C2CCOCC2)nc1,VRKXORFWMAADMX-UHFFFAOYSA-N
-rxn:5:177891:227403:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1ccc(N2CCCCC2)s1,SCNVLHFFHOLJQQ-UHFFFAOYSA-N
-rxn:5:177891:227438:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,NGBHWWOSOWRFTQ-UHFFFAOYSA-N
-rxn:5:177891:227449:226425,CC1CCCCN1c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)s1,MQIDHLQFJFELJR-UHFFFAOYSA-N
-rxn:5:177891:227449:228117,CC(C)Oc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)c1,MIFDRUOBXFULFE-UHFFFAOYSA-N
-rxn:5:177891:227657:223240,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,MCTAEPXDCBPPNU-UHFFFAOYSA-N
-rxn:5:177891:227657:223281,O=C(SC1CS(=O)(=O)CC1c1ccc(C2(O)COC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,LOGBPURNAOQHRY-UHFFFAOYSA-N
-rxn:5:178117:225634:227507,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)c(OCC3CCOCC3)c2)cnc1N1CCCCC1,XSTIBJYFAGQOLT-UHFFFAOYSA-N
-rxn:5:178118:222960:227507,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc(C2CCNCC2)c1,IBIVQTMSHHAWQJ-UHFFFAOYSA-N
-rxn:5:178119:223018:227039,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1-c1ccc(OC(C)(C)C)cc1,SBEOUZWKBHTPTC-UHFFFAOYSA-N
-rxn:5:178122:223061:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,NEJDRSVCADDCJV-UHFFFAOYSA-N
-rxn:5:178224:222958:227506,Cc1ccc(-c2cc(OCC3CCCCC3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2)cc1C1CCNCC1,SAYCWFCWGNQPJW-SAPNQHFASA-N
-rxn:5:178226:226652:227501,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C=C[N+](=O)[O-])cc2)n(C2CCCCO2)n1,JERLCZGLFZWELN-UHFFFAOYSA-N
-rxn:5:178278:225633:225634,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,YJHCGQQEWVPXDK-UHFFFAOYSA-N
-rxn:5:178278:225633:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,OUMBENJRYWOOKP-UHFFFAOYSA-N
-rxn:5:178278:225633:225849,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)cc3F)cc2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,SSOKVAJSFPQBKL-UHFFFAOYSA-N
-rxn:5:178278:225634:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1cnc(N2CCCCC2)c(C)c1,QFZRCFCXSVIJJH-UHFFFAOYSA-N
-rxn:5:178278:225679:225634,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2)c(C)cc1-c1ccc(N2CCCCC2)cc1F,BVMNTZGHJHDLBF-UHFFFAOYSA-N
-rxn:5:178278:225833:225634,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)c(C)c3)cc2)c(C)cc1-c1ccnc(N2CCCCC2)c1F,UGWPRNHZFSLXDQ-UHFFFAOYSA-N
-rxn:5:178295:223012:227065,COC(=O)c1cc2cc(-c3ccc(-c4cccc(C(=O)C(C)C)c4)cc3C3(C(=O)OC)CCC(=O)CC3)ccc2[nH]1,YCCGZBAFFHWUEI-UHFFFAOYSA-N
-rxn:5:178295:223018:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)CCC(=O)CC1,LSSZIEDRMGJAFE-UHFFFAOYSA-N
-rxn:5:178295:223229:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,SNFMVDCQNFRWNA-UHFFFAOYSA-N
-rxn:5:178295:223230:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,XMXZOFWQWKFQIV-UHFFFAOYSA-N
-rxn:5:178295:223266:228000,CNC(=O)c1ccc(F)cc1-c1ccc(-c2cc(C)c(C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,WEPFXDNJOUQTPH-UHFFFAOYSA-N
-rxn:5:178295:223285:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,UVPDLUQOOZXBFI-UHFFFAOYSA-N
-rxn:5:178295:223285:228447,COC(=O)C1(c2cc(-c3cccc(C(F)F)c3F)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,GQSQVTLWGAGGAT-UHFFFAOYSA-N
-rxn:5:178295:223357:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,CRSMYZSEHDRXGG-UHFFFAOYSA-N
-rxn:5:178295:225498:228697,COCc1cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,AOIRHSYZWXEQBD-UHFFFAOYSA-N
-rxn:5:178295:226058:227706,COC(=O)C1(c2cc(-c3cc(OC)cnc3C(F)F)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,MGDLQOVUJYOWQA-UHFFFAOYSA-N
-rxn:5:178295:226058:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,YQTFPEYHBFNARY-UHFFFAOYSA-N
-rxn:5:178295:226059:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,MCCHGLURIWSRHN-UHFFFAOYSA-N
-rxn:5:178295:226059:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,OZGQQURMRUEXMO-UHFFFAOYSA-N
-rxn:5:178295:226059:228071,COC(=O)C1(c2cc(-c3cccc4c3OCCO4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,UNCIDDBFIPLCQG-UHFFFAOYSA-N
-rxn:5:178295:226059:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,GAIMIAMJALJMIG-UHFFFAOYSA-N
-rxn:5:178295:226061:228503,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC4)ccc2-c2cc(C(C)C)cc(C3CC3)c2)CCC(=O)CC1,BSXKBFALTGHLBS-UHFFFAOYSA-N
-rxn:5:178295:226067:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,JANQXUKCYVTREZ-UHFFFAOYSA-N
-rxn:5:178295:226070:225450,COC(=O)C1(c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,RCUSXVHXXRNLRI-UHFFFAOYSA-N
-rxn:5:178295:226322:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,XDBRAORASZGJPK-UHFFFAOYSA-N
-rxn:5:178295:226576:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DNPNUCQPJONKHD-UHFFFAOYSA-N
-rxn:5:178295:226576:228768,CCc1cc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,KPLFANNMKNSEFV-UHFFFAOYSA-N
-rxn:5:178295:226579:228146,CCc1cncc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,OPVMSPJPCHJEAW-UHFFFAOYSA-N
-rxn:5:178295:226580:228616,COC(=O)C1(c2cc(-c3ccc(SC)cc3C)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,PWBJZKYNASDYOO-UHFFFAOYSA-N
-rxn:5:178295:226591:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(OC(C)C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YHJXJZXIMWWGFP-UHFFFAOYSA-N
-rxn:5:178295:226910:223230,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(NC(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XZOPQPOWLMXYRH-UHFFFAOYSA-N
-rxn:5:178295:226910:226322,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,NKZDKZKQHSYWNC-UHFFFAOYSA-N
-rxn:5:178295:226910:228434,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(F)F)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,AYUNYOZPUOTUSE-UHFFFAOYSA-N
-rxn:5:178295:226911:227817,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccccc2CC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,OPPCAGYSIMMYMY-UHFFFAOYSA-N
-rxn:5:178295:226911:227836,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C)cc2C2CC2)cc1C1(C(=O)OC)CCC(=O)CC1,SSODQLFPRFNPBB-UHFFFAOYSA-N
-rxn:5:178295:226911:228157,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(OC)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PJQPSIDBLDHSED-UHFFFAOYSA-N
-rxn:5:178295:226912:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,ZNTFXJJQKTUSHW-UHFFFAOYSA-N
-rxn:5:178295:226912:228231,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3F)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,TUWGUNXUOMMBJF-UHFFFAOYSA-N
-rxn:5:178295:226914:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,QDWYEULMJIXRSY-UHFFFAOYSA-N
-rxn:5:178295:226915:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C4CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WXQZKPOVBCCPPK-UHFFFAOYSA-N
-rxn:5:178295:226920:227957,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,GNDVLPPIOKTDRA-UHFFFAOYSA-N
-rxn:5:178295:226922:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2c(C)cc(C3CC3)cc2C)CCC(=O)CC1,JQZRTNJYLUNVHD-UHFFFAOYSA-N
-rxn:5:178295:226923:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C)c(C3CC3)cc2C)CCC(=O)CC1,PWDYEMCALACCAJ-UHFFFAOYSA-N
-rxn:5:178295:226925:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)cc(C)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,VYDBTUSKLOYGDE-UHFFFAOYSA-N
-rxn:5:178295:226968:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,BWUXZUQFVOOIES-UHFFFAOYSA-N
-rxn:5:178295:226969:228242,COC(=O)C1(c2cc(-c3cc(C)c(F)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,XMNMAUROFCSQOF-UHFFFAOYSA-N
-rxn:5:178295:227023:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)N(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,DXTINTDDKXPEDN-UHFFFAOYSA-N
-rxn:5:178295:227038:223229,COC(=O)C1(c2cc(-c3cc(NC(C)=O)ccc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,PNBGXTHLDRROCB-UHFFFAOYSA-N
-rxn:5:178295:227038:227314,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,RKEMMUUDJPJGTE-UHFFFAOYSA-N
-rxn:5:178295:227038:227315,COC(=O)C1(c2cc(-c3cnc(CC(C)C)cc3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,UJTDHOPPUIHPRT-UHFFFAOYSA-N
-rxn:5:178295:227038:227867,COC(=O)C1(c2cc(-c3cccc4c3OCCC4)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,AEEGFIKSIHFWPX-UHFFFAOYSA-N
-rxn:5:178295:227038:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,WSWKSGTXMMYRRN-UHFFFAOYSA-N
-rxn:5:178295:227048:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,KCJFUROWHXYPFQ-UHFFFAOYSA-N
-rxn:5:178295:227048:228387,COC(=O)C1(c2cc(-c3cn(C)c(=O)cc3OC)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,YVDSGHUIVCXELT-UHFFFAOYSA-N
-rxn:5:178295:227051:228267,CCC(=O)c1ccc(-c2ccc(-c3c(F)ccc(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,SUHLKNHNIFPMOK-UHFFFAOYSA-N
-rxn:5:178295:227052:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,QYBAHADZDUHAHP-UHFFFAOYSA-N
-rxn:5:178295:227055:228275,COC(=O)C1(c2cc(-c3cc(C)cc(F)c3OC)ccc2-c2ccc(OC)c(C3CC3)c2)CCC(=O)CC1,HGJPZAZOHSAVRW-UHFFFAOYSA-N
-rxn:5:178295:227063:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(C)cc2OC(C)C)CCC(=O)CC1,QIXOBYIWXNMHNR-UHFFFAOYSA-N
-rxn:5:178295:227065:228325,COC(=O)C1(c2cc(-c3cnc(OC)cc3OC)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,VMCFMULURCSBIG-UHFFFAOYSA-N
-rxn:5:178295:227067:228407,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3F)ccc2-c2ccc(OC)cc2C2CC2)CCC(=O)CC1,CTHLEAOZPZUXEO-UHFFFAOYSA-N
-rxn:5:178295:227068:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,VDQBOZQSGZIZBD-UHFFFAOYSA-N
-rxn:5:178295:227068:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2ccc(CC(C)C)cc2F)CCC(=O)CC1,WKIWLQWXSAXNRN-UHFFFAOYSA-N
-rxn:5:178295:227069:228274,COC(=O)C1(c2cc(-c3cc(SC)c(C)cc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,SXGUBYKPBUFSBF-UHFFFAOYSA-N
-rxn:5:178295:227075:227818,CCC(C)c1cccc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BYUQBWGBPVOFFY-UHFFFAOYSA-N
-rxn:5:178295:227075:227875,COC(=O)C1(c2cc(-c3cccc4c3CCCO4)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,UQVVSPOTZAOACA-UHFFFAOYSA-N
-rxn:5:178295:227077:228566,CCC(C)c1ccc(-c2ccc(-c3ccsc3CC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,GMIIJPYRVQQSMO-UHFFFAOYSA-N
-rxn:5:178295:227079:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DUPPWHIFYJNYPW-UHFFFAOYSA-N
-rxn:5:178295:227079:228113,CCc1nc(OC)ccc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,UDEIZTMVNPIGLP-UHFFFAOYSA-N
-rxn:5:178295:227100:227810,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,MYWDYXDUFFGVGD-UHFFFAOYSA-N
-rxn:5:178295:227102:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,GTLDAXPWIDPEAC-UHFFFAOYSA-N
-rxn:5:178295:227106:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,SBNJLQHSSMAUCJ-UHFFFAOYSA-N
-rxn:5:178295:227124:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,GLSGSLAPYBIJER-UHFFFAOYSA-N
-rxn:5:178295:227205:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cccc3c2OCCCO3)CCC(=O)CC1,HMEBNSAYYQZHOU-UHFFFAOYSA-N
-rxn:5:178295:227287:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,ACHPKWUBSDXWRA-UHFFFAOYSA-N
-rxn:5:178295:227309:227935,CCc1cc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,JXUNHXSMQHQQOX-UHFFFAOYSA-N
-rxn:5:178295:227311:226916,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,IVJCKLWQPUXADW-UHFFFAOYSA-N
-rxn:5:178295:227311:228393,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,QCODGHHLQGXPQG-UHFFFAOYSA-N
-rxn:5:178295:227311:228870,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,SAFXBILTQGTFKS-UHFFFAOYSA-N
-rxn:5:178295:227312:226067,CCC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,JMHINOOWJLUBJZ-UHFFFAOYSA-N
-rxn:5:178295:227313:228567,CCC(C)c1cc(-c2ccc(-c3ccsc3C(C)CC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,SHHAIBHWQVFKGV-UHFFFAOYSA-N
-rxn:5:178295:227329:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,DLUJDLBZKSBCDA-UHFFFAOYSA-N
-rxn:5:178295:227330:227903,CCN(C)c1cccc(-c2ccc(-c3ccc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DTEQBLRKZWAFPH-UHFFFAOYSA-N
-rxn:5:178295:227331:227922,CCc1cc(OC)ccc1-c1ccc(-c2c(F)cccc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DDPXDADTORIFRZ-UHFFFAOYSA-N
-rxn:5:178295:227336:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,QQBPQPBYFFNRSH-UHFFFAOYSA-N
-rxn:5:178295:227350:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2c(OC)cc(C)cc2OC)CCC(=O)CC1,ADFIHSBVKSRHTM-UHFFFAOYSA-N
-rxn:5:178295:227350:227978,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3F)ccc2-c2c(OC)cc(C)cc2OC)CCC(=O)CC1,YVPMNAPHPUAQEO-UHFFFAOYSA-N
-rxn:5:178295:227353:228417,COC(=O)C1(c2cc(-c3ccc(F)c(C(F)F)c3)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,DJSLQOKLYDIUGO-UHFFFAOYSA-N
-rxn:5:178295:227432:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(C3COC3)nc2C)CCC(=O)CC1,DHFAAYUWNWAEJE-UHFFFAOYSA-N
-rxn:5:178295:227501:223058,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2ccc(C=C[N+](=O)[O-])cc2)CCC(=O)CC1,MWGDQHZACOYQFZ-UHFFFAOYSA-N
-rxn:5:178295:227522:227927,CCC(=O)c1cccc(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZVXGSZVJTFLVSB-UHFFFAOYSA-N
-rxn:5:178295:227522:227941,COCc1cc(C)cc(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AEVUTVPSYWQRPF-UHFFFAOYSA-N
-rxn:5:178295:227530:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,HFALRQGDMJFUKF-UHFFFAOYSA-N
-rxn:5:178295:227562:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2c(F)ccc(OC)c2OC)CCC(=O)CC1,ZBJFMOBNHKRTFU-UHFFFAOYSA-N
-rxn:5:178295:227591:228235,COC(=O)C1(c2cc(-c3ccnc(F)c3C(C)C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,QWYXVBAJEYEXBP-UHFFFAOYSA-N
-rxn:5:178295:227591:228677,COC(=O)C1(c2cc(-c3cnn(CC(C)C)c3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,ARRBLGFGFPCVNN-UHFFFAOYSA-N
-rxn:5:178295:227701:228698,CCC(=O)c1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,RPUGJWVZBGKETA-UHFFFAOYSA-N
-rxn:5:178295:227810:227278,CCC(C)c1ccc(-c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SJABOENQMLCJIW-UHFFFAOYSA-N
-rxn:5:178295:227815:226603,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,QTQVMGWUQMMUOY-UHFFFAOYSA-N
-rxn:5:178295:227816:227051,CCCc1ccc(-c2ccc(-c3ccc(C(=O)CC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,AUVVTKYJJHKGGO-UHFFFAOYSA-N
-rxn:5:178295:227831:227108,CCc1c(C)cc(-c2ccc(-c3cc(C4CCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,ABZIPZSSFZKMPK-UHFFFAOYSA-N
-rxn:5:178295:227833:225454,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C3=CCN(C)CC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,CFNAKEZCSUCRPA-UHFFFAOYSA-N
-rxn:5:178295:228097:227077,CCC(C)c1ccc(-c2ccc(-c3cncc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,QHWFBKHRBHQHQB-UHFFFAOYSA-N
-rxn:5:178295:228107:227558,CCC(C)c1ncncc1-c1ccc(-c2ccc(OC(F)F)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,XZFQXWIGJLTBJY-UHFFFAOYSA-N
-rxn:5:178295:228157:225498,COC(=O)C1(c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,DTMZXLVVSNRRSJ-UHFFFAOYSA-N
-rxn:5:178295:228178:226917,COCc1ccc(F)c(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VNKFCJLZZLLOBG-UHFFFAOYSA-N
-rxn:5:178295:228180:227568,COCc1cc(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,NGRZKJBEBKRYRE-UHFFFAOYSA-N
-rxn:5:178295:228181:226144,COCc1cc(F)ccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,IXTLHVFRJYSLRB-UHFFFAOYSA-N
-rxn:5:178295:228189:227102,CCSc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZQJHYJJIZVVTPV-UHFFFAOYSA-N
-rxn:5:178295:228195:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,SLDRWRHEEKSQCZ-UHFFFAOYSA-N
-rxn:5:178295:228195:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,FRNDXRRWCQKHQU-UHFFFAOYSA-N
-rxn:5:178295:228235:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccnc(F)c2C(C)C)CCC(=O)CC1,UGYNGOBWZLEVSH-UHFFFAOYSA-N
-rxn:5:178295:228257:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,DOALHNJBOSXPKH-UHFFFAOYSA-N
-rxn:5:178295:228271:227346,CCCc1cc(F)c(-c2ccc(-c3cc(F)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,NUUGWXVISWXFJB-UHFFFAOYSA-N
-rxn:5:178295:228345:228562,CCC(C)c1csc(-c2ccc(-c3cc(C)sc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JEBIWFYAUMFMFA-UHFFFAOYSA-N
-rxn:5:178295:228419:227364,COC(=O)C1(c2cc(-c3ccc(OC)c(C)c3OC)ccc2-c2cc(F)c(SC)cc2F)CCC(=O)CC1,JXHKXYZGWROQEP-UHFFFAOYSA-N
-rxn:5:178295:228419:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(F)c(SC)cc2F)CCC(=O)CC1,KZAILNFMCFLCCE-UHFFFAOYSA-N
-rxn:5:178295:228430:227588,COC(=O)C1(c2cc(-c3c(OC)cc(F)cc3OC)ccc2-c2c(F)cc(SC)cc2F)CCC(=O)CC1,MDBYTMDIHBAYIU-UHFFFAOYSA-N
-rxn:5:178295:228435:227588,COC(=O)C1(c2cc(-c3c(OC)cc(F)cc3OC)ccc2-c2c(SC)ccc(F)c2F)CCC(=O)CC1,OFSYZFBODXBVPH-UHFFFAOYSA-N
-rxn:5:178295:228445:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(F)cccc2C(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WTWQLMQKWKWSNZ-UHFFFAOYSA-N
-rxn:5:178295:228508:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2cccc(C(C)C)c2)CCC(=O)CC1,UOJKFBNKYWUYMX-UHFFFAOYSA-N
-rxn:5:178295:228521:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cc(C)c(C)c(C)c2)CCC(=O)CC1,NZWDETPQRRSMKH-UHFFFAOYSA-N
-rxn:5:178295:228547:226058,CCCc1ccncc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JBKUHDWFDLTURQ-UHFFFAOYSA-N
-rxn:5:178295:228551:226576,CCCc1ncccc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VPAZKYMWFFYPEX-UHFFFAOYSA-N
-rxn:5:178295:228555:226085,COCc1ccccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,SJNMEZZYDQKUEV-UHFFFAOYSA-N
-rxn:5:178295:228564:223286,CCC(C)c1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,DIHXXGNPWFXKEY-UHFFFAOYSA-N
-rxn:5:178295:228564:226915,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,OOENTABNGPNAFW-UHFFFAOYSA-N
-rxn:5:178295:228566:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccsc3CC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,XVDIAKZBCGALHK-UHFFFAOYSA-N
-rxn:5:178295:228630:226341,CCc1cc(F)cc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RAGWIKDCGAQLPJ-UHFFFAOYSA-N
-rxn:5:178295:228707:227044,COC(=O)C1(c2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2-c2cnn(C(C)(C)C)c2)CCC(=O)CC1,DENVUVGQWJDSSM-UHFFFAOYSA-N
-rxn:5:178295:228733:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cnc(C)cc2OC)CCC(=O)CC1,LLDJTIZIUPTRIE-UHFFFAOYSA-N
-rxn:5:178295:228802:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,UNMKSIHSMMUMJS-UHFFFAOYSA-N
-rxn:5:178295:228803:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc([Si](C)(C)C)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,JBYXOGYEARVBBV-UHFFFAOYSA-N
-rxn:5:178295:229010:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cc(C(C)C)cs2)CCC(=O)CC1,PQWSDVMLTYHPOL-UHFFFAOYSA-N
-rxn:5:178313:226139:223061,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cnc2C2CC2)c(-c2cc(C3CCNCC3)ncc2F)c1,DSNFMOPSFALBBO-UHFFFAOYSA-N
-rxn:5:178353:225633:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,HHSMJKZJSPEVMM-UHFFFAOYSA-N
-rxn:5:178353:225633:226679,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCC4)cc3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,SRTJBRBZUWQOAD-UHFFFAOYSA-N
-rxn:5:178353:226364:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,MYKDQGXBSYSDIE-UHFFFAOYSA-N
-rxn:5:178353:226364:225849,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(N4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,XCTOSGDYHZBZMR-UHFFFAOYSA-N
-rxn:5:178353:226366:223065,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCNCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,DBGLPZZUOMLTRW-UHFFFAOYSA-N
-rxn:5:178353:226366:225455,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCCCC4)ccc3C)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,JUDFLPYPOZLPOR-UHFFFAOYSA-N
-rxn:5:178353:226366:225461,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCC4)cc3C)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,CPIZEBHCEVVBRQ-UHFFFAOYSA-N
-rxn:5:178353:226366:225679,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,SFYXJVABNHDPKJ-UHFFFAOYSA-N
-rxn:5:178353:226366:225834,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCCCC4)ncc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,OKVWFLPUHCGZKJ-UHFFFAOYSA-N
-rxn:5:178368:222995:226177,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCCC4)c3)c(C)c2)c(C)cc1-c1cccc(N2CCCC(O)C2)c1,AYINWCZDVYOMGY-UHFFFAOYSA-N
-rxn:5:178368:225407:227295,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(OC4CCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2CCCCCC2)cc1,XVHUMQRQRJTILO-UHFFFAOYSA-N
-rxn:5:178368:225633:226159,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,KWWKCNJVRYZBGX-UHFFFAOYSA-N
-rxn:5:178368:225633:226164,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)cc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,ZQMLLLAVBHTKJF-UHFFFAOYSA-N
-rxn:5:178368:225633:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,HCECFJQGDPQIOL-UHFFFAOYSA-N
-rxn:5:178368:225633:226366,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,XTTDDJCTEKXPOM-UHFFFAOYSA-N
-rxn:5:178368:225633:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,NCDLIWLLJXVHDV-UHFFFAOYSA-N
-rxn:5:178368:225633:227080,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,GXAQVHZTJQMYAU-UHFFFAOYSA-N
-rxn:5:178368:225633:227081,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCC4)cc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,NAVOLIDUQGOASQ-UHFFFAOYSA-N
-rxn:5:178368:225633:227082,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccccc3N3CCCC3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,UFMVBZVXMZCFBX-UHFFFAOYSA-N
-rxn:5:178368:225633:227375,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,NSVRTVHXHLBXIX-UHFFFAOYSA-N
-rxn:5:178368:225633:227376,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,FFZSHIFZJGIYNZ-UHFFFAOYSA-N
-rxn:5:178368:225677:227387,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2CCCCC2)nc1F,TYRSBXAUAIUKGQ-UHFFFAOYSA-N
-rxn:5:178368:226364:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,OWFZNTRPJCHYIM-UHFFFAOYSA-N
-rxn:5:178368:226364:226364,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,SNQIODRAOSUERZ-UHFFFAOYSA-N
-rxn:5:178368:226366:226159,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,NFGRGXQZCOPSPL-UHFFFAOYSA-N
-rxn:5:178368:226366:226164,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)cc3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,BBQCUUIZHZEESS-UHFFFAOYSA-N
-rxn:5:178368:226366:226679,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cnc(N4CCCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,KGARLVIZOBAQSK-UHFFFAOYSA-N
-rxn:5:178368:226395:226084,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc4c(c3)C(=O)CCCC4)c(C)c2)c(C)cc1-c1cncc(N2CCCCC2)c1,JJJHABCCIVTYLE-UHFFFAOYSA-N
-rxn:5:178368:227375:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCC2)nc1,BAHOJSJQIJIVSP-UHFFFAOYSA-N
-rxn:5:178368:227387:225849,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2)c(C)cc1-c1ccnc(N2CCCC2)c1,TZRIEGWEAYJNLP-UHFFFAOYSA-N
-rxn:5:178466:223007:225871,CC(C)OC(=O)c1sc2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,HVJULHLXZCWVPY-UHFFFAOYSA-N
-rxn:5:178466:223058:225982,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1cnc(N2CCOCC2)cc1F,BWXOFHCJKLMKOG-UHFFFAOYSA-N
-rxn:5:178466:223061:225871,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,LCHUWNXKLOVNTR-UHFFFAOYSA-N
-rxn:5:178466:223063:225976,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,PMRNQLVLCLRRPH-UHFFFAOYSA-N
-rxn:5:178467:222981:227893,CCOC(=O)C1=Cc2cc(-c3cccc(CN(C)C)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,VPEXGUZTNOFQDQ-UHFFFAOYSA-N
-rxn:5:178467:222985:228138,CCOC(=O)C1=Cc2cc(-c3ccc(CC#N)c(F)c3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,LKXQNWKJCJGQLF-UHFFFAOYSA-N
-rxn:5:178467:223058:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,JYWXNGZUTZZPHE-UHFFFAOYSA-N
-rxn:5:178467:223061:223006,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,NDBWBQSVQJQBLE-UHFFFAOYSA-N
-rxn:5:178467:223061:227976,CCOC(=O)C1=Cc2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,LHSBXLGRBYDOMR-UHFFFAOYSA-N
-rxn:5:178467:223062:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,MUAUKTQKQWEEDF-UHFFFAOYSA-N
-rxn:5:178467:223063:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,DKTFOZUBYSPCME-UHFFFAOYSA-N
-rxn:5:178467:223130:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(CN4CC(O)C4)cc3)c2OC1,JUIKOBZLIHFQME-UHFFFAOYSA-N
-rxn:5:178467:223131:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,QYPNRYXGSIWCAG-UHFFFAOYSA-N
-rxn:5:178467:223135:227050,CCOC(=O)C1=Cc2cc(-c3ccc(OC(C)C)c(C)c3)cc(-c3cccnc3C3CCCNC3)c2OC1,GHCJCYZGZPOKNJ-UHFFFAOYSA-N
-rxn:5:178467:223140:226144,CCOC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KALVSBVQCBNEDZ-UHFFFAOYSA-N
-rxn:5:178467:223281:226414,CCOC(=O)C1=Cc2cc(-c3ccc(C4=NCCCO4)cc3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,JHKDDRHZRASJCA-UHFFFAOYSA-N
-rxn:5:178467:223281:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,AIEUNXHFVKDVPY-UHFFFAOYSA-N
-rxn:5:178467:223294:225926,CCOC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,SPGFBQRBNGUBQI-UHFFFAOYSA-N
-rxn:5:178467:225603:223241,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNC4)c3)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,QCWGMNUPGNCTKM-UHFFFAOYSA-N
-rxn:5:178467:225631:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,JZSLDFRTTCFWKO-UHFFFAOYSA-N
-rxn:5:178467:225833:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZTXZHXHUDIYKNQ-UHFFFAOYSA-N
-rxn:5:178467:225834:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,WSMJSAQJHNRHHI-UHFFFAOYSA-N
-rxn:5:178467:225834:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,WJZKRDLNVZMWGT-UHFFFAOYSA-N
-rxn:5:178467:225980:227970,CCOC(=O)C1=Cc2cc(-c3ccncc3C(C)(C)C)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,LRWBIDLQFSLDQR-UHFFFAOYSA-N
-rxn:5:178467:225982:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,HSFUOSGRMAMHLJ-UHFFFAOYSA-N
-rxn:5:178467:226772:227569,CCOC(=O)C1=Cc2cc(-c3c(OC)ccc(F)c3OC)cc(-c3c(F)cc(C(=O)OC)cc3F)c2OC1,QFKBRTQDTRHWBS-UHFFFAOYSA-N
-rxn:5:178467:227020:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(C#CC4CC4)c3)c2OC1,VBDMVQFGKYKGRJ-UHFFFAOYSA-N
-rxn:5:178467:227278:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,PFLJEIUCSPHRSU-UHFFFAOYSA-N
-rxn:5:178467:227495:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N(C)CC)ncc3F)c2OC1,BLCOIJPVVSKTQR-UHFFFAOYSA-N
-rxn:5:178467:227703:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,WBFBEBILBPZIFY-UHFFFAOYSA-N
-rxn:5:178467:227779:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc([N+](=O)[O-])cc(F)c3F)c2OC1,BFABUPOWRIHATR-UHFFFAOYSA-N
-rxn:5:178467:227803:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,UBQMCRZFXRUPMT-UHFFFAOYSA-N
-rxn:5:179392:225805:225985,CC(c1ccc(-c2ccc(OC3COC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)s1)N1CCOCC1,OYTZEJKWJPTMDJ-UHFFFAOYSA-N
-rxn:5:179417:225798:223054,CCS(=O)(=O)c1ccc(-c2ccc(OC3CCOCC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,NLJMHOJMRCDLRH-UHFFFAOYSA-N
-rxn:5:179418:225657:225805,Cc1cc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)ccc1N1CCOCC1,UJEQZGGWIRRYOI-UHFFFAOYSA-N
-rxn:5:179629:225514:222959,COc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(S(C)(=O)=O)c1-c1ccc(C2CCNCC2)c(C)c1,GUWANYUCDMAESY-UHFFFAOYSA-N
-rxn:5:179629:225834:225985,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1cccc(N2CCCS2(=O)=O)c1,MOXYOBDEYGBMGZ-UHFFFAOYSA-N
-rxn:5:179839:225632:223056,COc1c(C(C)=O)cc(-c2ccc(N3CCC(O)CC3)nc2)c(C)c1-c1cccc(N2CCN(C)CC2)c1,HDPYRLLPDBFWRK-UHFFFAOYSA-N
-rxn:5:180021:226186:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccccc1C1CCOCC1,LWTZUHFTXYHRGG-UHFFFAOYSA-N
-rxn:5:180022:223008:223135,COc1c(-c2cccnc2C2CCCNC2)ccc(-c2cc(C3CCNCC3)ccc2F)c1C1OCCO1,WRVIMXTUAUJNMV-UHFFFAOYSA-N
-rxn:5:180022:225926:223294,COc1c(-c2csc(N3CCNCC3)n2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,DOUXPOBJNHFZIH-UHFFFAOYSA-N
-rxn:5:180022:225985:223147,COc1c(-c2ccc(C3CNCCO3)cc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,PJUYASBGQWGGGO-UHFFFAOYSA-N
-rxn:5:180092:222405:225942,CC(C)c1ncc(-c2cc(C#C[Si](C)(C)C)cc(-c3cccc(C4NC(=O)NC4=O)c3)c2)cc1C(F)(F)F,XSBMTPCCYROMTQ-UHFFFAOYSA-N
-rxn:5:180421:225832:227086,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCCC2)c1,GFCLALBQWRVFBA-UHFFFAOYSA-N
-rxn:5:180602:223061:226663,COC(=O)C1Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2O1,LDNQXULRUQWYSL-UHFFFAOYSA-N
-rxn:5:180602:226663:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(N4CCSCC4)nc3)c2O1,LKEPFTWGZYMQLP-UHFFFAOYSA-N
-rxn:5:180662:222989:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,VQJCDYPDXSTKQS-UHFFFAOYSA-N
-rxn:5:180662:223065:227686,COC(=O)C1=Cc2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,VACRQIMLKZQBEJ-UHFFFAOYSA-N
-rxn:5:180662:223131:226747,CCc1ncc(-c2cc3c(c(-c4ccc(N5CCNCC5)cc4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,JVYQVIRFAQQPFI-UHFFFAOYSA-N
-rxn:5:180662:223294:226326,COC(=O)C1=Cc2cc(-c3cccc(C4(C#N)CC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,IFKRUSHXGOUACW-UHFFFAOYSA-N
-rxn:5:180662:225976:227379,COC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,UIENSQSJSFRDST-UHFFFAOYSA-N
-rxn:5:180662:226326:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,IXWMBHAFZYNGEK-UHFFFAOYSA-N
-rxn:5:181626:225832:223063,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cc(F)nc(C3CCNCC3)c2)c1C1OCCO1,JWIWKFAEWMUPPW-UHFFFAOYSA-N
-rxn:5:181630:225636:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccnc(N3CCC(C)CC3)c2)cccc1C1OCCO1,QJKNXTMFXVLWGP-UHFFFAOYSA-N
-rxn:5:181904:222988:223064,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,QXIBHRBYFNRAII-UHFFFAOYSA-N
-rxn:5:181905:222981:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,GUZRFWJJMXNQOD-UHFFFAOYSA-N
-rxn:5:181906:225805:223141,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cncc(C2CCNCC2)c1,OCENGBIJDFPINA-UHFFFAOYSA-N
-rxn:5:181908:225394:222985,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,GQIVPNQJIMJQEJ-UHFFFAOYSA-N
-rxn:5:182012:226686:225394,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(C2CCCOC2)c1,XIGYJYSOJPYGEP-UHFFFAOYSA-N
-rxn:5:183189:226686:222998,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)cc2c1OC(C)(C)OC2,CQWZTICIIMQJGY-UHFFFAOYSA-N
-rxn:5:188249:225816:222990,CC(=O)Oc1c(C#N)cc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cc(C2CC2)ccc1C(F)(F)F,MVGKDISIIPKRRV-UHFFFAOYSA-N
-rxn:5:188876:222989:222994,CON(C)C(=O)c1cccc(-c2ccc(N3CCNCC3)cc2C)c1-c1cccc(N2CCC(O)CC2)c1,LVOQQPWSWMCACC-UHFFFAOYSA-N
-rxn:5:188930:223147:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cccnc1C1CCCNC1,QIQJEWLUNYNGQT-UHFFFAOYSA-N
-rxn:5:188930:225607:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1cccnc1C1CCCNC1,XGWACWLHMNXGSS-UHFFFAOYSA-N
-rxn:5:188932:225809:225499,COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2F)c(S(N)(=O)=O)c(-c2cc(F)ccc2OC2CCOC2)c1,AZIJWIRRJPKWTC-UHFFFAOYSA-N
-rxn:5:189079:226583:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1,QAKJRGWTOICDIK-UHFFFAOYSA-N
-rxn:5:189208:222986:223191,CNS(=O)(=O)c1ccc(-c2cc(-c3cc(C)nc(C4CCCNC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,AJQIHTQKAGJSAA-UHFFFAOYSA-N
-rxn:5:189209:223307:226734,CN(C)S(=O)(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)CCNC4)c2)c1,BIMADXYMAPWGLL-UHFFFAOYSA-N
-rxn:5:189209:228312:226440,COc1cnc(C#N)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)nc(C3CCCC3)c2)c1,BWMGNETVERZRJF-UHFFFAOYSA-N
-rxn:5:189210:228184:226197,COc1ccc(-c2cccc(-c3ccc(C4CCCOC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1SC,GMKUDSBMTSLBIO-UHFFFAOYSA-N
-rxn:5:189320:225621:225946,CC(=O)c1cc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2ccc(OC3CCOC3)c(C)c2)cc(C(F)(F)F)c1,WXFSAJKMWAFCRO-UHFFFAOYSA-N
-rxn:5:189334:225940:226328,CC(C)(C)OC(=O)c1ncc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1-c1ccc(C(C)(C)C#N)c(F)c1,LSBRJLPTMCPMOF-UHFFFAOYSA-N
-rxn:5:189538:223189:223018,CC(C)N(C)C(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,WICNWTBDYOEFGN-UHFFFAOYSA-N
-rxn:5:189662:225498:227592,COc1cc(F)cc(-c2ncc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCOCC2)c1OC,AQLLXOCRJNZRAE-UHFFFAOYSA-N
-rxn:5:189667:226374:223064,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCNCC3)nc2F)cc(-c2cncnc2C2CCCCC2)c1,UMTHDGHEYHPETJ-OPKQSAEVSA-N
-rxn:5:189671:225469:227779,CC1CCCN(c2ccc(-c3cccc(-c4cc([N+](=O)[O-])cc(F)c4F)c3/C=N/S(=O)C(C)(C)C)cc2)C1,JLOANTXVULLQJI-VTNSRFBWSA-N
-rxn:5:189778:226330:225435,CC(c1ccc(-c2ccc(-c3ccccc3CN3CCCCC3)c(CCN3CCCC3)c2)s1)N1CCCC1,WCFDGWVGJDTXDW-UHFFFAOYSA-N
-rxn:5:189827:227276:225849,CCc1cc(N(C)C)ncc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cnc(N2CCCCC2)cc1F,OWUWDJMSTIIBAB-UHFFFAOYSA-N
-rxn:5:189908:225597:227197,CN1Cc2ccc(-c3ncc(-c4ccc(OC5CCCCC5)nc4)cc3OCC3CCCCC3)cc2C1=O,JGBCUMRRPAKQQR-UHFFFAOYSA-N
-rxn:5:189909:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOCC4)c3)c2)CC1,GPQHITIGEGPBPA-UHFFFAOYSA-N
-rxn:5:189952:223113:225978,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,DSKPIIKNSRWSLS-UHFFFAOYSA-N
-rxn:5:189952:225980:223064,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,CYPXBROAWAQJLI-UHFFFAOYSA-N
-rxn:5:189952:225980:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,KWDMCYIGZHEGHO-UHFFFAOYSA-N
-rxn:5:189952:226649:226744,CCc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cccnc3N3CCOCC3)c2OC)cnc1C(F)(F)F,GOVHEGRADCHUOA-UHFFFAOYSA-N
-rxn:5:190097:225872:227784,O=[N+]([O-])c1cc(-c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2CCN2CCCCC2)cc(F)c1F,OXDSHBIXRXZKIN-UHFFFAOYSA-N
-rxn:5:190127:225976:225822,COC1CCN(C(=O)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cccc(C(F)(F)F)c2C2CC2)CC1,SLGUXYJOVAXGQN-UHFFFAOYSA-N
-rxn:5:190128:228379:223113,COC1CCN(C(=O)c2ccc(-c3cc(F)c(F)cc3C#N)c(-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1,VZQQQXWSTAMKRR-UHFFFAOYSA-N
-rxn:5:190194:223388:225636,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccnc(N3CCC(C)CC3)c2)CC1,NJFOZFNNJJYGRB-UHFFFAOYSA-N
-rxn:5:190194:225598:227349,COc1cc(C)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCSCC3)c2)c1OC,RISQNDYQSSJTPD-UHFFFAOYSA-N
-rxn:5:190195:226583:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,NMUBFIDCWKRCAD-UHFFFAOYSA-N
-rxn:5:190196:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)nc2)c1,SNXJIUMTOLHCCW-UHFFFAOYSA-N
-rxn:5:190196:222417:226571,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnn(CC3CCOCC3)c2)c1,CNWVTKVUMJHVII-UHFFFAOYSA-N
-rxn:5:190196:223239:226042,CN(Cc1ccc(-c2cncc(C3CCCN3)c2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1,KSMMFIXIPPKSJR-UHFFFAOYSA-N
-rxn:5:190196:225784:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DVEOVQHLTROSBY-UHFFFAOYSA-N
-rxn:5:190197:227491:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnc(OC2CCC2)nc1)C1CCOCC1,NFUTYGMLVXRMKF-UHFFFAOYSA-N
-rxn:5:190199:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)c(CN(C)C2CCOCC2)c1,XLSZSFXGLKLBQU-UHFFFAOYSA-N
-rxn:5:190199:225976:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(N2CCOCC2)c1F)C1CCOCC1,QCTYOIVXOBATEU-UHFFFAOYSA-N
-rxn:5:190201:228695:225834,CC1CN(CCc2cc(-c3csc(CN(C)C)c3)ccc2-c2cc(N3CCCCC3)ncc2F)CCO1,ONTNRBCNQBIQPB-UHFFFAOYSA-N
-rxn:5:190265:223252:227611,CC1CCCN(C(=O)Cc2ccc(-c3ccnn3C3CCCCO3)c(-c3cc(F)c4c(c3)NCCO4)c2)C1,PROWZFCOWZZFFA-UHFFFAOYSA-N
-rxn:5:190265:227095:227408,CC1CCCN(C(=O)Cc2ccc(-c3cc(C4CCC4)ncc3F)c(-c3ccc(C4CC(=O)C4)cc3)c2)C1,UNDDBDSSMXMEIJ-UHFFFAOYSA-N
-rxn:5:190299:226759:227408,COc1cc(-c2ccc(OC)c(C=C3SC(=O)N(c4ccc(-c5cc(C6CCC6)ncc5F)cc4)C3=O)c2)cc(C(F)(F)F)c1,MEBVTWGLYPUHPK-UHFFFAOYSA-N
-rxn:5:190307:227166:226045,CC1CCN(CCc2cc(-c3ccc4c(c3)OCCN4C)ccc2-c2ccc(C(F)(F)C(F)(F)F)nc2)CC1,KXMVLVARWOGGOG-UHFFFAOYSA-N
-rxn:5:190308:226180:226152,COc1cc(C2CC2)cc(-c2ccc(-c3cc(C)nc(C4CCCC4)c3)cc2CCN2CCCC(C)C2)c1C,OLKBFGXTYTVISA-UHFFFAOYSA-N
-rxn:5:190336:225806:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(OC2CCCC2)cc1F,FEOBNXFCTIQWND-UHFFFAOYSA-N
-rxn:5:190336:227508:228231,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N(C)C)cc3F)c2OC)cc(C)n1,AGKLWPFALVCRKK-UHFFFAOYSA-N
-rxn:5:190404:225470:223353,CC(=O)Nc1cccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4)o3)CCS2)c1,LZTJLKALTDNWGX-UHFFFAOYSA-N
-rxn:5:190484:225506:227409,CC(C)Cn1ncc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cc(C(C)(C)C)ncc5F)S(=O)(=O)CC4)c3)ccc21,YFLXUVWLCPGQNA-UHFFFAOYSA-N
-rxn:5:190484:225706:227412,CC(C)n1cnc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc(C(C)(C)C)cc5F)S(=O)(=O)CC4)c3)c(F)cc21,UQLZGABFWHXJIN-UHFFFAOYSA-N
-rxn:5:190484:227898:227315,CC(C)Cc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(CC(C)C)cc4F)S(=O)(=O)CC3)c2)c1,OAGVDEYRXKBHPG-UHFFFAOYSA-N
-rxn:5:190484:227937:227409,CC(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,OXDRZSJVTUSYPF-UHFFFAOYSA-N
-rxn:5:190484:228113:227312,CCc1nc(OC)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)CC)nc3F)S(=O)(=O)CC2)c1,SXWSWPLZYYCISX-UHFFFAOYSA-N
-rxn:5:190484:228304:227409,CC(C)Oc1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,LONZLVKBDGKHON-UHFFFAOYSA-N
-rxn:5:190582:223007:225943,CCOC(=O)n1cc(-c2cc(F)cc(C3CCNCC3)c2)c2c(-c3ccc(C(=O)N4CCOCC4)s3)cccc21,VHTKZUDXJYNSLI-UHFFFAOYSA-N
-rxn:5:190681:226041:225470,CC(=O)Oc1cn(C(C)=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3)c(-c3c([N+](=O)[O-])cccc3C(F)(F)F)cc12,IHCZRVGLEOBRGK-UHFFFAOYSA-N
-rxn:5:190711:226662:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2n1C,WNZSMQAYRTZTCC-UHFFFAOYSA-N
-rxn:5:190740:225849:225982,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,QEXUIUZYNGWEJX-UHFFFAOYSA-N
-rxn:5:190740:225976:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,SWBGQAZPJFKNMS-UHFFFAOYSA-N
-rxn:5:190740:225978:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,JPIRSMNFWVQHSU-UHFFFAOYSA-N
-rxn:5:190741:223062:225834,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,JAWJWXOVYLLDFL-UHFFFAOYSA-N
-rxn:5:190741:225584:223064,CCOC(=O)c1cnc2c(-c3ccc(C(=O)N4CCCC4)cc3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,FCVWFADUYRMUNV-UHFFFAOYSA-N
-rxn:5:190742:225784:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccnc(N2CCCCC2)c1F,HRUHAHYDOILSRE-UHFFFAOYSA-N
-rxn:5:190742:225881:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(F)c(C2CCNCC2)c1,QZZPHXWWNVPIGN-UHFFFAOYSA-N
-rxn:5:190742:225980:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccc(N2CCNCC2)cc1F,CNQXMIGMFPSGHH-UHFFFAOYSA-N
-rxn:5:190743:225633:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,RRRNRHXKZYMPJE-UHFFFAOYSA-N
-rxn:5:190743:225833:225655,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,IRIVGMNFASLYDF-UHFFFAOYSA-N
-rxn:5:190743:225982:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,YUZJVKJNESJZIG-UHFFFAOYSA-N
-rxn:5:190744:225982:225978,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,UXLDOFKBEYFWDE-UHFFFAOYSA-N
-rxn:5:190744:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,OORBQSKGFZOIES-UHFFFAOYSA-N
-rxn:5:190798:223018:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)c(-c1ccc3c(c1)NC(=O)C(C)(C)O3)cn2C(=O)OC(C)(C)C,MBUVPHZEGVNZJO-UHFFFAOYSA-N
-rxn:5:190799:226350:223018,COC(=O)c1c(C)ccc(-c2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc3c2ccn3C(=O)OC(C)(C)C)c1C,WBLSWUSGVCKTGQ-UHFFFAOYSA-N
-rxn:5:190833:223133:228395,COc1cc(F)c(F)cc1-c1ccc(-c2ccccc2N2CCNCC2)c2c1CN(C(=O)OC(C)(C)C)C2=O,WPYHQANFXPSIOD-UHFFFAOYSA-N
-rxn:5:190833:226581:228591,CC(C)c1cnccc1-c1ccc(-c2cccc(C(=O)N(C)C)c2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,WSNJHCTXZVEQIY-UHFFFAOYSA-N
-rxn:5:190833:227826:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C(C)(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,BCFHQOLPWXDGDF-UHFFFAOYSA-N
-rxn:5:190833:227944:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2cncc(C(C)(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,YPXMZBVRDTWEFP-UHFFFAOYSA-N
-rxn:5:190833:229015:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccsc2C(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,MOEHUBYKGZZYTL-UHFFFAOYSA-N
-rxn:5:190859:227920:222980,CCC(=O)c1ccc(-c2ccc3c(c2-c2ccc(CN4CCNCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1,WNAJMZRBUQXSSL-UHFFFAOYSA-N
-rxn:5:190998:226347:227048,COC(=O)c1cc(-c2ccc(C(=O)C(C)C)cc2)ccc1N1Cc2cc(-c3cc(C)c(F)cc3OC(C)C)ccc2OCC1=O,COSZZULEODPNEF-UHFFFAOYSA-N
-rxn:5:190998:227077:226926,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)c(F)c1,WALRARGEUWJWPR-UHFFFAOYSA-N
-rxn:5:190998:227818:226062,CCC(C)c1cccc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)C)cc(C(C)C)c4)cc2C(=O)OC)C(=O)CO3)c1,RCHVGVJWDSKSNA-UHFFFAOYSA-N
-rxn:5:190998:227831:226068,CCc1c(C)cc(-c2ccc3c(c2)CN(c2ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)cc1C,ALTXZDBXBWFBEA-UHFFFAOYSA-N
-rxn:5:190998:228562:226058,CCC(C)c1csc(-c2ccc3c(c2)CN(c2ccc(-c4c(C(C)C)cccc4C(C)C)cc2C(=O)OC)C(=O)CO3)c1,RWTWKDAZVQSJOA-UHFFFAOYSA-N
-rxn:5:191026:226910:227339,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C)cc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,HOGRXIZDHHQRRV-UHFFFAOYSA-N
-rxn:5:191026:228595:226059,CCc1ncc(C)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)C)cc3C(C)C)c1)C=C(C(=O)OC)S2(=O)=O,ZVSVUDAGDFPHRP-UHFFFAOYSA-N
-rxn:5:193046:223006:226452,CC(C)(C)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(C3OCCCO3)cc2)c([N+](=O)[O-])c1,PMEBYFLUSQVCBL-UHFFFAOYSA-N
-rxn:5:193052:226763:225633,COC(=O)c1c(F)cc(-c2ccc(C(=O)N3CCCC3)c(-c3ccc(N4CCCCCC4)nc3)c2)cc1F,SBJJKFXXIGZUFC-UHFFFAOYSA-N
-rxn:5:193155:225634:225985,Cc1cc(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(CN3CCCC3)c2)cnc1N1CCCCC1,MXLIZCPAXJGXMX-UHFFFAOYSA-N
-rxn:5:193155:225639:225985,CC1CCN(c2ncccc2-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(CN3CCCC3)c2)CC1,OTMNUHSKFKLAQO-UHFFFAOYSA-N
-rxn:5:193156:225986:225634,Cc1cc(-c2cc(CN3CCCC3)cc(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,ITIAWNWEDDXNFW-UHFFFAOYSA-N
-rxn:5:193226:226583:223062,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cnc(C3CCNCC3)cc2F)c1)N1CCOCC1,RTNCUDIJLRZVEV-UHFFFAOYSA-N
-rxn:5:193227:226583:223006,O=C(c1cc(-c2ccc(F)c(C3CCNCC3)c2)cc(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,UOSDBUZPBMDVAT-UHFFFAOYSA-N
-rxn:5:193228:223283:226661,CNc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3cc(N4CCN(C)CC4)cs3)c2)cc1[N+](=O)[O-],KPOCEAJQTSHQPH-UHFFFAOYSA-N
-rxn:5:193229:226571:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cnn(CC3CCOCC3)c2)cc(F)n1,RBXACDKITUDERI-UHFFFAOYSA-N
-rxn:5:193230:227316:225976,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3F)c2)cc(F)n1,UOKRPSYHAKDOMJ-UHFFFAOYSA-N
-rxn:5:193337:226686:223137,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cncc(C3CCCNC3)c2)c(CN2CCOCC2)c1,ZTVWKVGZSGJLOK-UHFFFAOYSA-N
-rxn:5:193382:222958:226366,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCCC4)c3)c2)cc1C1CCNCC1,BAKVBNSIRXXAGS-UHFFFAOYSA-N
-rxn:5:193382:222958:227449,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)s3)c2)cc1C1CCNCC1,ZSZXBXBXQZILPP-UHFFFAOYSA-N
-rxn:5:193382:222985:222998,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,AHDOBZMMTXBZEF-UHFFFAOYSA-N
-rxn:5:193382:222988:223134,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnccc3C3CCCNC3)c2)cc(C2CCNCC2)n1,KSTYKCOREXCQQY-UHFFFAOYSA-N
-rxn:5:193382:223008:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1S(=O)(=O)N1CCOCC1,GHXYMXKKZJJYJI-UHFFFAOYSA-N
-rxn:5:193382:223134:226649,O=S(=O)(c1ccc(-c2cnccc2C2CCCNC2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,XWOYPAIKKXYGIV-UHFFFAOYSA-N
-rxn:5:193382:223142:227086,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,JTHCKTPPFFTXMQ-UHFFFAOYSA-N
-rxn:5:193382:223286:223131,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCNCC4)cc3)c2)c1,GHLPDTVPBGGQCA-UHFFFAOYSA-N
-rxn:5:193382:223289:225831,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(N3CCOCC3)c(C)c2)c1,ZCORDKVCTNAULB-UHFFFAOYSA-N
-rxn:5:193382:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1S(=O)(=O)N1CCOCC1,IVGPFRLKJCOCEY-UHFFFAOYSA-N
-rxn:5:193382:223295:223135,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3C3CCCNC3)c2)c1,CPDCTFLTWDBJEF-UHFFFAOYSA-N
-rxn:5:193382:223295:223139,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)c1,BZRQCYKGRISXLZ-UHFFFAOYSA-N
-rxn:5:193382:225657:226643,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c2)ccc1N1CCOCC1,CXWFQYZLRBIEQK-UHFFFAOYSA-N
-rxn:5:193382:225831:226411,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)cc3)c2)cnc1N1CCOCC1,FDFACYMNLKDJGZ-UHFFFAOYSA-N
-rxn:5:193382:225982:223135,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,ROTHMZUMVRHGAH-UHFFFAOYSA-N
-rxn:5:193382:225986:226662,CN1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,GNARHIBEXFQTEV-UHFFFAOYSA-N
-rxn:5:193382:226180:226415,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3N3CCOCC3)c2)cc(C2CCCC2)n1,XEOZJSNOINKTMQ-UHFFFAOYSA-N
-rxn:5:193382:226366:223201,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccccc1C1CCNC1)N1CCOCC1,DISQVRBHFVHBFV-UHFFFAOYSA-N
-rxn:5:193382:226583:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2ccc(CN3CCOCC3)s2)ccc1S(=O)(=O)N1CCOCC1,GIRKEENTHNUMMX-UHFFFAOYSA-N
-rxn:5:193382:227086:227656,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1cc(N2CCOCC2)cs1)N1CCOCC1,ZHCSXQTWWLHVNC-UHFFFAOYSA-N
-rxn:5:193382:227803:223242,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCNC3)c2)c1,JNCZINZZXKBONA-UHFFFAOYSA-N
-rxn:5:193382:227803:227626,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOC3)nc2)c1,IGDQMPQSCGIAPS-UHFFFAOYSA-N
-rxn:5:193382:227962:222959,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(C)c3)c2)cc(C2CC2)n1,FPNDWGMFPZULRL-UHFFFAOYSA-N
-rxn:5:193459:227379:225985,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2cccnc2N2CCCC2)c1)N1CCCCC1,IRTRTQGIGFHNKN-UHFFFAOYSA-N
-rxn:5:193463:227387:225985,O=C1CCN(Cc2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,QBKAGVQFQVEYRA-UHFFFAOYSA-N
-rxn:5:193464:226338:223191,CNS(=O)(=O)c1ccc(-c2cc(-c3ccnc(OC4CCCC4)c3)ccc2C2(C#N)CCCCC2)cc1F,JXIWHIZCTXBWTO-UHFFFAOYSA-N
-rxn:5:193464:227387:225985,N#CC1(c2ccc(-c3ccnc(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CCCCC1,YOUISEZDYGSZCB-UHFFFAOYSA-N
-rxn:5:193506:222958:222958,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)cc1C1CCNCC1,NITQGAVKTOTMPA-UHFFFAOYSA-N
-rxn:5:193506:223011:223140,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCCNC3)c2)c1,CYHDULAZNSYMMZ-UHFFFAOYSA-N
-rxn:5:193506:223065:223378,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cnc3c(c2)NCCO3)CC1,DGIALIXKAURYPV-UHFFFAOYSA-N
-rxn:5:193506:223146:225805,CC(c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,XGFJXSCSUITVMM-UHFFFAOYSA-N
-rxn:5:193506:223147:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,IXGFIXXCODEBIF-UHFFFAOYSA-N
-rxn:5:193506:223147:223355,CNC(=O)c1ccccc1-c1cc(-c2ccc(C3CNCCO3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,IMYOPAOMOUIKAW-UHFFFAOYSA-N
-rxn:5:193506:223200:226330,CC(c1ccc(-c2cc(-c3ccc(C4CCNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,ASELAIDIRZAGSY-UHFFFAOYSA-N
-rxn:5:193506:223285:223242,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNC3)c2)c1,NPTKVRXCWQGVTF-UHFFFAOYSA-N
-rxn:5:193506:223288:223146,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)c1,MUKXYQQKVTTYLN-UHFFFAOYSA-N
-rxn:5:193506:223289:223201,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccccc2C2CCNC2)c1,XRSUDCIWKYWUGF-UHFFFAOYSA-N
-rxn:5:193506:223340:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)NCCO4)cc2-c2ccnc(N3CCCCC3)c2)CC1,VTUNKMGCYAHRDB-UHFFFAOYSA-N
-rxn:5:193506:223354:223139,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCNCC4)nc3)c2)cc1,RITZSFZBPBZUOO-UHFFFAOYSA-N
-rxn:5:193506:225805:226452,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4OCCCO4)cc3)c2)s1)N1CCOCC1,MGUSOQRVRKUUFC-UHFFFAOYSA-N
-rxn:5:193506:226426:223147,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CNCCO5)cc4)c3)s2)CC1,OHSNFDYMZVBWMZ-UHFFFAOYSA-N
-rxn:5:193506:226645:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccnc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,OWZLAFTWLZVHFX-UHFFFAOYSA-N
-rxn:5:193506:226649:223054,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,IEMCWMYSCSBXKW-UHFFFAOYSA-N
-rxn:5:193506:226664:228631,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccsc2C2CCC2)CC1,QUEQKDNDGLMYKU-UHFFFAOYSA-N
-rxn:5:193506:226665:223288,CNS(=O)(=O)c1cccc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,ULBVXTPDJJNOBJ-UHFFFAOYSA-N
-rxn:5:193506:227375:225940,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3)cc2-c2cc(C(F)(F)F)cnc2C2CC2)CC1,OAKDTJUSVLBGET-UHFFFAOYSA-N
-rxn:5:193506:227408:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ncc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,RLMGCRLHZQEUDC-UHFFFAOYSA-N
-rxn:5:193506:227408:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ncc3F)cc2-c2ccc(N3CCCC3)s2)CC1,NMWNWXLMNCAQBT-UHFFFAOYSA-N
-rxn:5:193506:227413:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,FAFHPIWXRHSNAT-UHFFFAOYSA-N
-rxn:5:193506:227517:223054,CC(c1ccc(-c2cc(-c3ccc(OC4COC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,FAESEXZKYFIXOI-UHFFFAOYSA-N
-rxn:5:193506:227656:223284,CS(=O)(=O)Nc1ccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,WUDWFKVWTOQCFA-UHFFFAOYSA-N
-rxn:5:193506:228623:225666,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CCC3)cc2-c2cc(F)cc(N3CCCCC3)c2)CC1,DOUFYAIQEQBMRN-UHFFFAOYSA-N
-rxn:5:193537:225655:225985,CC1CCN(c2cncc(-c3c(CN4CCCCC4)cccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,QWNRKBGXTYPBQQ-UHFFFAOYSA-N
-rxn:5:193537:225985:226371,Cc1cc(N2CCCC2)ncc1-c1cccc(CN2CCCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,CJANECZKLJFLBC-UHFFFAOYSA-N
-rxn:5:193541:225613:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN2CCCCC2)cc(-c2ccnc(OC3CCCCC3)c2)c1,DXVBYZHBIBNZAJ-UHFFFAOYSA-N
-rxn:5:193598:223061:225978,CC1CN(C(=O)c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)nc2F)CCO1,PJZXDYRRAYIVBN-UHFFFAOYSA-N
-rxn:5:193681:223201:225498,CN1CCC(Oc2cc(-c3ccccc3C3CCNC3)ccc2-c2cc(C3CCCCC3)ccc2F)CC1,TUABLGUSNNXGCB-UHFFFAOYSA-N
-rxn:5:193748:225797:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)cc3C(=O)N3CCCC(C)C3)c2)CC1,OEYGMULVQQLNQC-UHFFFAOYSA-N
-rxn:5:193750:225589:227505,CC1CCN(C(=O)c2cc(-c3ccc(CN4CCSCC4)cc3)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,FZYZREGSTUESQJ-SAPNQHFASA-N
-rxn:5:193755:222986:228970,Cc1cc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2ccc(C(F)(F)F)s2)cc(C2CCCNC2)n1,ZOYPZZJMGDUCCR-UHFFFAOYSA-N
-rxn:5:193755:226052:227704,COc1cnc(C(F)F)cc1-c1c(C(=O)N2CCCC(C)C2)cccc1-c1c(F)ccc(OC(F)(F)F)c1F,UWGAGSQAXKSGPF-UHFFFAOYSA-N
-rxn:5:193756:225819:228320,COC(=O)c1cc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2C(=O)N2CCCCC2C)ccn1,ZUDCIKWTNRFCKO-UHFFFAOYSA-N
-rxn:5:193756:227094:225591,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCC2)cc1-c1cc(CN2CCCC2)ccc1F,NWJNVNZYPWJCOH-UHFFFAOYSA-N
-rxn:5:193866:223284:227048,CC(C)C(=O)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(NS(C)(=O)=O)cc2)cc1,SDHZADRFCXNARE-UHFFFAOYSA-N
-rxn:5:193866:223388:226366,O=C1CCN(C2(c3ccc(-c4ccc(S(=O)(=O)O)cc4)c(-c4ccnc(N5CCCCC5)c4)c3)CC2)CC1,VLZRRUBRXRUERD-UHFFFAOYSA-N
-rxn:5:193866:223388:226371,Cc1cc(N2CCCC2)ncc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc(S(=O)(=O)O)cc1,SOPOLMPUPKYSBU-UHFFFAOYSA-N
-rxn:5:193866:225454:228929,CN1CC=C(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cncc(C(F)F)c3)cc2)CC1,PKLQNBVMBMLYFB-UHFFFAOYSA-N
-rxn:5:193866:225456:228508,CC(C)c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C3CCN(C)CC3)cc2)c1,YUCVIXXLCZMRIP-UHFFFAOYSA-N
-rxn:5:193866:225600:227070,CCOc1cc(C)c(C)cc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccnc1OC1CCCCC1,SGSZHKXODAXYGV-UHFFFAOYSA-N
-rxn:5:193866:227574:226907,COc1c(F)ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc3c2CCC32CC2)c1OC,YXPNDZDQOZIXKC-UHFFFAOYSA-N
-rxn:5:193866:227807:225465,CN1CCC(c2cccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3cccc4c3CCCC4)c2)CC1,YITCEZLBAFDWDW-UHFFFAOYSA-N
-rxn:5:193866:227808:225456,CN1CCC(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccc4c(c3)CCCC4)cc2)CC1,BIPMLTZCUCAONI-UHFFFAOYSA-N
-rxn:5:193866:228107:226729,CCC(C)c1ncncc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cnc(OC2CCOC2)nc1,FHERJRYPCHUPNN-UHFFFAOYSA-N
-rxn:5:193867:223388:226395,O=C1CCN(C2(c3cc(-c4ccc(S(=O)(=O)O)cc4)cc(-c4cncc(N5CCCCC5)c4)c3)CC2)CC1,UAQGAWRYYLHKQV-UHFFFAOYSA-N
-rxn:5:193867:225641:227046,Cc1cc(OC(C)C)cc(-c2cc(-c3ccnc(N4CCCC(C)C4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,LDSVFLKMJPSLGW-UHFFFAOYSA-N
-rxn:5:193867:226907:227592,COc1cc(F)cc(-c2cc(-c3cccc4c3CCC43CC3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,XDXFINFLORDGQR-UHFFFAOYSA-N
-rxn:5:193869:222989:223313,Cc1cc(-c2ccc(N3CCNCC3)cc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2(O)CC2)cc1,DWGTUICFLVYVKH-UHFFFAOYSA-N
-rxn:5:193869:223306:226364,Cc1cc(-c2ccc3c(c2)CNCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCC2)nc1,HBOXMDAHJFWDML-UHFFFAOYSA-N
-rxn:5:193869:223312:226412,Cc1cc(-c2ccc(C3CNC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,JWSXPRUCVYWERF-UHFFFAOYSA-N
-rxn:5:193869:223341:226364,Cc1cc(-c2ccc3c(c2)CC(=O)N3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCC2)nc1,HBMPZFWVMFLFQW-UHFFFAOYSA-N
-rxn:5:193869:223343:226366,Cc1cc(-c2ccc3c(c2)NC(=O)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,CPWXKBNVFCPJSU-UHFFFAOYSA-N
-rxn:5:193869:223345:226395,Cc1cc(-c2cccc3c2NC(=O)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,WSTJKKASPQRWPG-UHFFFAOYSA-N
-rxn:5:193869:223389:226364,Cc1cc(-c2c(C)n[nH]c2C(F)(F)F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCC2)nc1,FNLRPFBVMDUFIH-UHFFFAOYSA-N
-rxn:5:193869:226913:226395,CCc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,PKUOGUKPRHPOFA-UHFFFAOYSA-N
-rxn:5:193869:226922:227376,Cc1cc(-c2c(C)cc(C3CC3)cc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,QWGAWQNLONZMHO-UHFFFAOYSA-N
-rxn:5:193869:226923:227376,Cc1cc(-c2cc(C)c(C3CC3)cc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,CTPQWBGNMRJJCJ-UHFFFAOYSA-N
-rxn:5:193869:226923:227387,Cc1cc(-c2cc(C)c(C3CC3)cc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,QCVMRWITWCNWOM-UHFFFAOYSA-N
-rxn:5:193869:226946:226366,Cc1cc(-c2ccc3c(c2)CCN(C)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IDGKVYYDRISJAK-UHFFFAOYSA-N
-rxn:5:193869:228512:225633,CC#Cc1cccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,CRSRFQJSMMLOAR-UHFFFAOYSA-N
-rxn:5:193869:228516:225652,CCc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCCC(C)C4)c3)cc2S(=O)(=O)N2CCCCC2)c1,LYLLRLPQUQFNME-UHFFFAOYSA-N
-rxn:5:193869:228516:225656,CCc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCCCC4C)c3)cc2S(=O)(=O)N2CCCCC2)c1,DUMZPFMGLOKUGV-UHFFFAOYSA-N
-rxn:5:193869:228518:225655,CC#Cc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCC2)cc1,ACHOJODCTYUAQM-UHFFFAOYSA-N
-rxn:5:193869:228519:225833,Cc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCC2)c(C)c1,XQIWXLIUAHGLMP-UHFFFAOYSA-N
-rxn:5:193869:228524:225515,Cc1cc(-c2cnc3c(c2)CCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,QECQBLUXHAKJIE-UHFFFAOYSA-N
-rxn:5:193869:228577:225455,CC#Cc1cncc(-c2cc(C)c(-c3cc(N4CCCCC4)ccc3C)cc2S(=O)(=O)N2CCCCC2)c1,CZVXVAIBWPIEFL-UHFFFAOYSA-N
-rxn:5:193869:228577:225461,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCCCC4)cc3C)cc2S(=O)(=O)N2CCCCC2)c1,XTZHXZURQNSTMW-UHFFFAOYSA-N
-rxn:5:193869:228577:225631,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCC2)c1,GYWKFLPITIPIIZ-UHFFFAOYSA-N
-rxn:5:193869:228588:225461,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)cc3C)cc2S(=O)(=O)N2CCCCC2)ccn1,OFTMETTYZRVIOH-UHFFFAOYSA-N
-rxn:5:193869:228649:225633,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c(F)c1,PTBYITGYZQDUQW-UHFFFAOYSA-N
-rxn:5:193869:228732:225636,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,RMNFGMZHQAAENJ-UHFFFAOYSA-N
-rxn:5:193869:228883:226426,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)s1,JYTZEMJBRXPRPT-UHFFFAOYSA-N
-rxn:5:193870:223141:223313,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3(O)CC3)cc2)cc1-c1cncc(C2CCNCC2)c1,XBTAJAMBZIDTOQ-UHFFFAOYSA-N
-rxn:5:193870:223313:226371,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2C)cc1-c1ccc(C2(O)CC2)cc1,KQIPWBTXAXWMLS-UHFFFAOYSA-N
-rxn:5:193870:223340:226395,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCCC3)c2)cc1-c1ccc2c(c1)NCCO2,ZXGHJOGFGIGNCD-UHFFFAOYSA-N
-rxn:5:193870:223341:226364,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)nc2)cc1-c1ccc2c(c1)CC(=O)N2,GAKFTEXKXBNUJH-UHFFFAOYSA-N
-rxn:5:193870:223342:226326,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3(C#N)CC3)c2F)cc1-c1ccc2c(c1)OCCN2,GKKIRTYAMBBBRS-UHFFFAOYSA-N
-rxn:5:193870:223342:226371,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2C)cc1-c1ccc2c(c1)OCCN2,GKGFPUDSKDGKNR-UHFFFAOYSA-N
-rxn:5:193870:223344:226412,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCC3)c2)cc1-c1cccc2c1CC(=O)N2,XQGQRPPQMYRZMF-UHFFFAOYSA-N
-rxn:5:193870:223345:226371,Cc1cc(N2CCCC2)ncc1-c1cc(-c2cccc3c2NC(=O)C3)c(C)cc1S(=O)(=O)N1CCCCC1,ZKCIWFVNNRMPFF-UHFFFAOYSA-N
-rxn:5:193870:223348:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc2c(c1)C(=O)NC2,YOVJKDDBSLXCRJ-UHFFFAOYSA-N
-rxn:5:193870:223348:226395,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCCC3)c2)cc1-c1ccc2c(c1)C(=O)NC2,MQKZLMZCXXDGPG-UHFFFAOYSA-N
-rxn:5:193870:225455:228577,CC#Cc1cncc(-c2cc(-c3cc(N4CCCCC4)ccc3C)c(C)cc2S(=O)(=O)N2CCCCC2)c1,PZMSQWHLMDIUEH-UHFFFAOYSA-N
-rxn:5:193870:225656:228516,CCc1cc(C)cc(-c2cc(-c3cncc(N4CCCCC4C)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,SVKYUSICYBMTAE-UHFFFAOYSA-N
-rxn:5:193870:225833:228519,Cc1cc(C)c(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)c1,GCDMFSZDCMLOEF-UHFFFAOYSA-N
-rxn:5:193870:226366:228215,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C)c(C#N)c2F)cc1-c1ccnc(N2CCCCC2)c1,IABHDKNGUQXYAI-UHFFFAOYSA-N
-rxn:5:193870:226777:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(C)c(F)c(OC(F)F)c1,FAXPGIZUSQKOHJ-UHFFFAOYSA-N
-rxn:5:193870:227375:227100,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)cc(C3CC3)cc2F)cc1-c1ccc(N2CCCC2)nc1,BAXHHLOKEUCYMB-UHFFFAOYSA-N
-rxn:5:193870:227375:227106,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CC3)c(C)cc2F)cc1-c1ccc(N2CCCC2)nc1,YNBTYRUBQHDYJR-UHFFFAOYSA-N
-rxn:5:193870:227375:227115,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C)c(C3CC3)cc2F)cc1-c1ccc(N2CCCC2)nc1,OUTSAHLLMRBODH-UHFFFAOYSA-N
-rxn:5:193870:227376:226922,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)cc(C3CC3)cc2C)cc1-c1cncc(N2CCCC2)c1,HEFSNFXRNYEDFX-UHFFFAOYSA-N
-rxn:5:193870:227376:226946,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCN(C)C3)cc1-c1cncc(N2CCCC2)c1,SPNIRIRXJXGPJI-UHFFFAOYSA-N
-rxn:5:193870:227376:227100,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)cc(C3CC3)cc2F)cc1-c1cncc(N2CCCC2)c1,ULIOERGTWYBSHJ-UHFFFAOYSA-N
-rxn:5:193870:227376:227284,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)ncc2C2CC2)cc1-c1cncc(N2CCCC2)c1,XXPSONULWMZQJJ-UHFFFAOYSA-N
-rxn:5:193870:227403:227971,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnccc2C(C)(C)C)cc1-c1ccc(N2CCCCC2)s1,IRYVNRFIMWXUMG-UHFFFAOYSA-N
-rxn:5:193870:228149:226142,COC(=O)c1ccccc1-c1cc(-c2cccc(OC3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,KINNARWZQSVNMO-UHFFFAOYSA-N
-rxn:5:193871:223340:223130,O=C(c1ccc(-c2ccc(CN3CC(O)C3)cc2)c(-c2ccc3c(c2)NCCO3)c1)N1CCC2(CC1)CC2,UWPTUTQNMOURRZ-UHFFFAOYSA-N
-rxn:5:193889:222992:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4O)cc3)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,CLJSKSUSUOQLES-UHFFFAOYSA-N
-rxn:5:193889:223065:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,ZQAOTEMQZGRRHM-UHFFFAOYSA-N
-rxn:5:193889:225454:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(C4=CCN(C)CC4)cc3)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,HXCCUMPYPYBFFY-UHFFFAOYSA-N
-rxn:5:193889:225632:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cccc(N4CCN(C)CC4)c3)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,CDKUNGOQKRMFQV-UHFFFAOYSA-N
-rxn:5:193889:225633:223065,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCNCC3)cc2F)n1,WXQPWTJEDSVDEB-UHFFFAOYSA-N
-rxn:5:193889:225633:225455,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2cc(N3CCCCC3)ccc2C)n1,WRTKTPGHWZBSLT-UHFFFAOYSA-N
-rxn:5:193889:225633:225461,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCCCC3)cc2C)n1,RKWIDJOSKBREDC-UHFFFAOYSA-N
-rxn:5:193889:225633:225577,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccc(N3CCCC3)cc2C#N)n1,ADGTURFRHFVXEM-UHFFFAOYSA-N
-rxn:5:193889:225633:225632,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2cccc(N3CCN(C)CC3)c2)n1,RAHROXVTHYZKHK-UHFFFAOYSA-N
-rxn:5:193889:225633:225834,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2cc(N3CCCCC3)ncc2F)n1,AXRMFDAJKWHXRG-UHFFFAOYSA-N
-rxn:5:193889:225834:225987,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cc(N4CCCCC4)ncc3F)c2C)c(-c2ccc(N3CCCS3(=O)=O)cc2)n1,VOBKVCXFBWSFSV-UHFFFAOYSA-N
-rxn:5:193912:228357:225631,COc1nc(C)c(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4)C3=O)cc2)c(C)n1,XHHBJNOLNBNKIE-UHFFFAOYSA-N
-rxn:5:193932:228139:226181,COc1cc(C#N)cc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc(C3=CCCCC3)nc2)c1,MCSPKMBUFUVXSF-UHFFFAOYSA-N
-rxn:5:193972:222420:223138,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCNCC2)c1,VIOSUSOYGCAQBI-UHFFFAOYSA-N
-rxn:5:193972:222989:225851,Cc1cc(-c2ccc(N3CCNCC3)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(-n2ccnc2C)c1,QWERPWFTVCZHKM-UHFFFAOYSA-N
-rxn:5:193972:222989:225853,Cc1cc(-c2ccc(N3CCNCC3)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(-n2ccnc2C)cc1F,ITEJRXITQQNFSD-UHFFFAOYSA-N
-rxn:5:193972:223065:225649,Cc1cc(-n2ccnc2C)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(N3CCNCC3)cc2F)cc1C,QXRIFHHGVWWIEJ-UHFFFAOYSA-N
-rxn:5:193972:223135:222420,Cc1cc(-c2cccnc2C2CCCNC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,IZTQUNXPJKQKNA-UHFFFAOYSA-N
-rxn:5:193972:223252:226366,Cc1cc(-c2cc(F)c3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,XLLKMRYJTHZPFU-UHFFFAOYSA-N
-rxn:5:193972:223343:226364,Cc1cc(-c2ccc3c(c2)NC(=O)C3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,SBWCMTJPYPYLGC-UHFFFAOYSA-N
-rxn:5:193972:223397:226364,Cc1cc(-c2ccc3c(c2)CCN3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,ZHKXSAGBFSHNEF-UHFFFAOYSA-N
-rxn:5:193972:223397:226366,Cc1cc(-c2ccc3c(c2)CCN3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,FVVHOBIHBMKRRA-UHFFFAOYSA-N
-rxn:5:193972:225649:223065,Cc1cc(-c2ccc(-n3ccnc3C)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCNCC2)cc1F,IFSAUAFMCVVYSE-UHFFFAOYSA-N
-rxn:5:193972:225651:222992,Cc1cc(-c2cnn(C)c2)cc(-c2cc(C)c(-c3ccc(N4CCCCC4O)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,IKAVUPSXUDKGIL-UHFFFAOYSA-N
-rxn:5:193972:225851:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cc(F)cc(-n3ccnc3C)c2)cc1C,YIQCXLSMMJZLGW-UHFFFAOYSA-N
-rxn:5:193972:225857:222989,Cc1ccn(-c2cc(F)cc(-c3cc(C)c(-c4ccc(N5CCNCC5)cc4C)cc3S(=O)(=O)N3CCCCCC3)c2)n1,SUDKPWWCZKYBIR-UHFFFAOYSA-N
-rxn:5:193972:225862:222989,Cc1cnn(-c2cc(F)cc(-c3cc(C)c(-c4ccc(N5CCNCC5)cc4C)cc3S(=O)(=O)N3CCCCCC3)c2)c1,DIMDVOINUGEPDM-UHFFFAOYSA-N
-rxn:5:193972:226181:228716,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(C)c1,JNTPUIHCXUVNPE-UHFFFAOYSA-N
-rxn:5:193972:228234:227283,Cc1cc(-c2c(C3CC3)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)nc(C2CC2)c1,TXJHLSPGDLRVEY-UHFFFAOYSA-N
-rxn:5:193972:228512:226364,CC#Cc1cccc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,PGEJRIAQEHXWPJ-UHFFFAOYSA-N
-rxn:5:193972:228516:226181,CCc1cc(C)cc(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,XVPNXEHYTUBZBO-UHFFFAOYSA-N
-rxn:5:193972:228577:226164,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCCCC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,NFSCGFDSJBCDRQ-UHFFFAOYSA-N
-rxn:5:193972:228577:226172,CC#Cc1cncc(-c2cc(C)c(-c3cc(N4CCCC4)ccc3C)cc2S(=O)(=O)N2CCCCCC2)c1,VRPNMTBYERJTJJ-UHFFFAOYSA-N
-rxn:5:193972:228577:226175,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCCC4)cc3C)cc2S(=O)(=O)N2CCCCCC2)c1,NTFVXLTVZHGYHI-UHFFFAOYSA-N
-rxn:5:193972:228577:226414,CC#Cc1cncc(-c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,BTTBXRBZMBZHGL-UHFFFAOYSA-N
-rxn:5:193972:228588:226175,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCCC4)cc3C)cc2S(=O)(=O)N2CCCCCC2)ccn1,FNULMRUGTAFEPS-UHFFFAOYSA-N
-rxn:5:193972:228588:227403,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)s3)cc2S(=O)(=O)N2CCCCCC2)ccn1,QYGNHBZBGRJBJZ-UHFFFAOYSA-N
-rxn:5:193972:228588:227404,CC#Cc1cc(-c2cc(C)c(-c3cc(N4CCCCC4)cs3)cc2S(=O)(=O)N2CCCCCC2)ccn1,OGWIJQGKXFMJPZ-UHFFFAOYSA-N
-rxn:5:193972:228649:226364,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,HLXIQDZBDPMHBM-UHFFFAOYSA-N
-rxn:5:193972:228715:226181,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,PIKNEPIRLMELNK-UHFFFAOYSA-N
-rxn:5:193972:228716:226181,Cc1cc(-c2cnc(C#N)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,CISTYCQUKUWECR-UHFFFAOYSA-N
-rxn:5:193972:228995:225455,CCc1cncc(-c2cc(C)c(-c3cc(N4CCCCC4)ccc3C)cc2S(=O)(=O)N2CCCCCC2)c1,WXRTVRIWLVRHRH-UHFFFAOYSA-N
-rxn:5:193972:229023:225454,Cc1cc(C)c(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,LQBIUQRUNCBHHG-UHFFFAOYSA-N
-rxn:5:193972:229023:225577,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCCC4)cc3C#N)cc2S(=O)(=O)N2CCCCCC2)cn1,BNKKWTLHFCYHLM-UHFFFAOYSA-N
-rxn:5:193972:229023:225632,Cc1cc(C)c(-c2cc(C)c(-c3cccc(N4CCN(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cn1,FYAGZGPIIJRVOT-UHFFFAOYSA-N
-rxn:5:193972:229041:225636,Cc1cc(-c2c(C)cccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,XMCHTAIBWCRBIJ-UHFFFAOYSA-N
-rxn:5:193972:229121:225985,Cc1cc(-c2cncc(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,GBOYZSYABMUTLT-UHFFFAOYSA-N
-rxn:5:194058:223054:225671,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCCCC3)ncc2F)s1)N1CCC(O)C1,BZHHQEMRDLCCJZ-UHFFFAOYSA-M
-rxn:5:194058:225590:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCCC3)c(F)c2)s1)N1CCCCC1,JQHPPKWLTGILGW-UHFFFAOYSA-M
-rxn:5:194058:225607:225653,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3C)nc2)s1)N1CCCCC1,WWVWETPIVSUJET-UHFFFAOYSA-M
-rxn:5:194733:228133:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(F)c(CC#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1,GDEXCRLGXYYUKL-UHFFFAOYSA-N
-rxn:5:194767:227299:225834,CN(C)Cc1cc(F)cc(-c2ccc(-c3cc(N4CCCCC4)ncc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,HZGYPETWERJARD-UHFFFAOYSA-N
-rxn:5:194767:227316:225978,CC(C)Cc1cc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,NAYSFKCPNRAYFX-UHFFFAOYSA-N
-rxn:5:194767:227544:227826,COC(=O)c1ccc(F)cc1-c1ccc(-c2cccc(C(C)(C)C)c2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,BDUZOLRNXBMPDD-UHFFFAOYSA-N
-rxn:5:194767:228124:222988,CCOc1cc(C)c(-c2ccc(-c3cc(C)nc(C4CCNCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cn1,YIIBGKSDJNTTAV-UHFFFAOYSA-N
-rxn:5:194767:228570:226364,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CC5)c4)ccc3-c3ccc(N4CCCCC4)nc3)C2)c2ccccc21,MHYKYNDYBAEDBE-UHFFFAOYSA-N
-rxn:5:194767:228879:223058,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnn4C4COC4)ccc3-c3cc(F)nc(C4CCCNC4)c3)C2)c2ccccc21,QSDRESRPEVALDL-UHFFFAOYSA-N
-rxn:5:194791:226063:223006,O=C1C2C(c3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccccc1-c1ccccc1,FJJURRJARQLVPE-UHFFFAOYSA-N
-rxn:5:194792:227685:229011,N#Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C7CC7)s6)cc5)C(=O)C34)cc2)cc1[N+](=O)[O-],QJLFHYHXEFFRKR-UHFFFAOYSA-N
-rxn:5:196408:223058:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,XENXZJORTMHBTI-UHFFFAOYSA-N
-rxn:5:196408:225924:225833,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C1=NOCCO1,KADAUJHOKRESRB-UHFFFAOYSA-N
-rxn:5:196408:226686:223008,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1C1=NOCCO1,JBLLSVJQPJPODZ-UHFFFAOYSA-N
-rxn:5:196533:225978:226843,O=C1CC(c2ccc(C(=O)C(F)(F)F)nc2)C(=O)N1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1,RTRWKCKOXAWXDO-UHFFFAOYSA-N
-rxn:5:196618:225924:225849,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cnc(N3CCCCC3)cc2F)c(N2CCCC2=O)c1,IAFCYYOVPAXLAH-UHFFFAOYSA-N
-rxn:5:196618:225928:225849,Cc1ccc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(N3CCCC3=O)c2)cc1S(=O)(=O)N(C)C,YTDNTKICTMRTNI-UHFFFAOYSA-N
-rxn:5:196621:225849:225926,O=C1CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2cnc(N3CCCCC3)cc2F)c1,RSQKIIYPTWYCRN-UHFFFAOYSA-N
-rxn:5:196622:225928:225833,Cc1ccc(-c2cccc(N3CCCC3=O)c2-c2ccnc(N3CCCCC3)c2F)cc1S(=O)(=O)N(C)C,ACCQYNGFGUMTEP-UHFFFAOYSA-N
-rxn:5:196623:225924:225849,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cnc(N3CCCCC3)cc2F)cc(N2CCCC2=O)c1,NDTUCNIQOIJMND-UHFFFAOYSA-N
-rxn:5:196623:225926:225833,O=C1CCCN1c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(-c2ccnc(N3CCCCC3)c2F)c1,IRTKQWUGDVPADY-UHFFFAOYSA-N
-rxn:5:196623:225930:225833,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccnc(N4CCCCC4)c3F)cc(N3CCCC3=O)c2)c1,PPFUXIBYQIXWOO-UHFFFAOYSA-N
-rxn:5:196623:225931:225833,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)cc(N3CCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,BDSQFWOSKSXSNO-UHFFFAOYSA-N
-rxn:5:196794:225834:226395,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cncc(N2CCCCC2)c1,QZBDMAWNYDDUHB-UHFFFAOYSA-N
-rxn:5:196859:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCCOC2)cc1,YPGOSRINMVDKAF-UHFFFAOYSA-N
-rxn:5:196917:225452:225584,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2-c2ccc(OC3C=CCCC3)cc2)=N1,HNZCLRXJCHSLLQ-UHFFFAOYSA-N
-rxn:5:196919:227804:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1C1=NC(C)(C)CO1,PQHIFYBRIBZOMG-UHFFFAOYSA-N
-rxn:5:196922:225636:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(N2CCCCC2=O)c1,CUEQGXYOSSTVTK-UHFFFAOYSA-N
-rxn:5:196922:226852:225584,COc1ncc(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)cc(N3CCCCC3=O)c2)cc1C(F)(F)F,XOCDAWRSNGGYHA-UHFFFAOYSA-N
-rxn:5:196969:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,KRGZKRDSXKBKEC-UHFFFAOYSA-N
-rxn:5:196969:225456:225985,CN1CCC(c2ccc(-c3cnc(C4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,ABSBPUYDJPZSIT-UHFFFAOYSA-N
-rxn:5:196969:225461:225985,Cc1cc(N2CCCCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,JJVPRCWFNZLKGN-UHFFFAOYSA-N
-rxn:5:196969:225465:225985,CN1CCC(c2cccc(-c3cnc(C4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,MSDOUFODQHSZEM-UHFFFAOYSA-N
-rxn:5:196969:225576:225985,N#Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC1,LVXGRYUAOIJIRZ-UHFFFAOYSA-N
-rxn:5:196969:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCCNC2)nc1,MCMNWSKTSBMOLJ-UHFFFAOYSA-N
-rxn:5:196969:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCSCC2)nc1,GIJNLEMFCVLTNK-UHFFFAOYSA-N
-rxn:5:196969:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(C2CCCCC2)ncc1-c1cccc(N2CCCS2(=O)=O)c1,DTRNOLOWPBBGSV-UHFFFAOYSA-N
-rxn:5:196969:225985:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(C2CCCCC2)ncc1-c1cccc(N2CCCS2(=O)=O)c1,SXQRFAOYJXIDGM-UHFFFAOYSA-N
-rxn:5:196969:225985:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(C2CCCCC2)ncc1-c1cccc(N2CCCS2(=O)=O)c1,BKRWUKDXHSDCHJ-UHFFFAOYSA-N
-rxn:5:196969:225985:225631,CN1CCN(c2ccc(-c3cc(C4CCCCC4)ncc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,STKRLLZLNQJKSG-UHFFFAOYSA-N
-rxn:5:196970:225456:225985,CN1CCC(c2ccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,UNDJIMOPZKBNEH-UHFFFAOYSA-N
-rxn:5:196970:225465:225985,CN1CCC(c2cccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,RHNAWIIHARKRPL-UHFFFAOYSA-N
-rxn:5:196970:225465:225986,CN1CCC(c2cccc(-c3c(C4CCCCC4)ccnc3-c3ccccc3N3CCCS3(=O)=O)c2)CC1,COPBCXWZNUTFNH-UHFFFAOYSA-N
-rxn:5:196970:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,XCISOTSWUSGZMS-UHFFFAOYSA-N
-rxn:5:196970:225985:225461,Cc1cc(N2CCCCC2)ccc1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,GWCFUFSDAXGKIU-UHFFFAOYSA-N
-rxn:5:196970:225985:225577,N#Cc1cc(N2CCCC2)ccc1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,QTNZKOPKPBPJMN-UHFFFAOYSA-N
-rxn:5:196970:226185:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCOCC2)cc1,UPZGBTBNWCQDQM-UHFFFAOYSA-N
-rxn:5:196971:225576:225985,N#Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)c(C3CCCCC3)cn2)ccc1N1CCCC1,VDRXXGJELWOSHC-UHFFFAOYSA-N
-rxn:5:196971:225985:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ncc1C1CCCCC1,KZBATFYMGAPADW-UHFFFAOYSA-N
-rxn:5:196977:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,GNENMPFJRIMWEV-UHFFFAOYSA-N
-rxn:5:196977:225634:225985,Cc1cc(-c2ccc(N3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,LOTCVXRXZZRPDB-UHFFFAOYSA-N
-rxn:5:196978:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,XCCMTYOOPLIYJW-UHFFFAOYSA-N
-rxn:5:196978:225461:225986,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCCC2)c(-c2ccccc2N2CCCS2(=O)=O)c1,GNAWCZDCVZMYFW-UHFFFAOYSA-N
-rxn:5:196978:225634:225985,Cc1cc(-c2ccc(N3CCCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)cnc1N1CCCCC1,FEBIVZSGZQUIAU-UHFFFAOYSA-N
-rxn:5:196978:225636:225986,CC1CCN(c2cc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,DYXSCWLBDGWKOM-UHFFFAOYSA-N
-rxn:5:196978:225638:225986,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,TUVIZQWCKRCPNF-UHFFFAOYSA-N
-rxn:5:196978:225639:225985,CC1CCN(c2ncccc2-c2ccc(N3CCCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,IKOBMIHOCCOMLN-UHFFFAOYSA-N
-rxn:5:196978:225655:225985,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)CC1,SOBUHELUUZMHLG-UHFFFAOYSA-N
-rxn:5:196978:225655:225986,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,FEURUKTXESVEDX-UHFFFAOYSA-N
-rxn:5:196978:225985:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,ZYRWWEZFOZDRRT-UHFFFAOYSA-N
-rxn:5:196978:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,BVQKZYUFMKRHHT-UHFFFAOYSA-N
-rxn:5:196978:225985:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,FBXFTRXHFCMVPO-UHFFFAOYSA-N
-rxn:5:196978:225985:225634,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2N2CCCCC2)cnc1N1CCCCC1,GKQCGKDDBBWABG-UHFFFAOYSA-N
-rxn:5:196978:225985:225636,CC1CCN(c2cc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)ccn2)CC1,JWHHKZCVKSSIPL-UHFFFAOYSA-N
-rxn:5:196978:225985:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)cn2)CC1,ZMFGKHJYPUSWQE-UHFFFAOYSA-N
-rxn:5:196978:225985:225639,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2N2CCCCC2)CC1,NGMUWNQUPMANPJ-UHFFFAOYSA-N
-rxn:5:196979:225656:225985,CC1CCCCN1c1cncc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)c1,PAUWIKFFRAYVRZ-UHFFFAOYSA-N
-rxn:5:197169:225986:225652,CC1CCCN(c2cncc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)c2)C1,PXRHRLJYXHPTCH-UHFFFAOYSA-N
-rxn:5:197876:223018:228102,CC(C)Cc1ncncc1-c1cc2c(cc1-c1ccc3c(c1)NC(=O)C(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,KFSUOTMPIUJZME-UHFFFAOYSA-N
-rxn:5:197876:223018:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KLOZJCIDMDKWCU-UHFFFAOYSA-N
-rxn:5:197876:223018:228750,CC(=O)c1cncc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DLEOHMNXOSSSBY-UHFFFAOYSA-N
-rxn:5:197876:225499:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KGTRFMIYQMBJFS-UHFFFAOYSA-N
-rxn:5:197876:225515:228586,CC(C)c1ncccc1-c1cc2c(cc1-c1cccc3c1OCC(C)(C)CO3)S(=O)(=O)N(C(C)(C)C)C2=O,JDURSXVRDXLXGG-UHFFFAOYSA-N
-rxn:5:197876:226058:227944,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cncc(C(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FCTGAHPWGVHKSX-UHFFFAOYSA-N
-rxn:5:197876:226200:225438,CC(c1ccc(-c2cc3c(cc2-c2ccc4c(c2)ncn4C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,WTSRIJSGRUDGAD-UHFFFAOYSA-N
-rxn:5:197876:227409:225438,CC(c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,DZSPDMXLJMSYQG-UHFFFAOYSA-N
-rxn:5:197876:227412:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LINBYEDIELTATN-UHFFFAOYSA-N
-rxn:5:197876:227907:226589,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BIVIPQUECVPBCE-UHFFFAOYSA-N
-rxn:5:197876:228207:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CC4)cnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,BWYZZLKOPLYLHA-UHFFFAOYSA-N
-rxn:5:198558:226661:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cc(N5CCN(C)CC5)cs4)ccc32)s1)N1CCOCC1,ASYYTFBDMQKQKC-UHFFFAOYSA-N
-rxn:5:199129:225607:225986,CC(c1ccc(-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCCN=C3)s1)N1CCCCC1,ZBVGZPMMPLFVMV-UHFFFAOYSA-N
-rxn:5:227403:178353:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)s1,LULXXGKFJSPPNF-UHFFFAOYSA-N
-rxn:5:227903:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cccc(N(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,YCOCQBQAQPIRJE-UHFFFAOYSA-N
-rxn:5:227905:178295:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccnc(CC(C)C)c2)CCC(=O)CC1,RFABUZZGGUZZLX-UHFFFAOYSA-N
-rxn:5:227909:178295:223018,CCC(C)c1cc(-c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,CTLZKDICCRKXCZ-UHFFFAOYSA-N
-rxn:5:227909:178295:227589,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(OC(F)F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,NOXKUGXFMIXGBB-UHFFFAOYSA-N
-rxn:5:227910:178295:227068,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,BSPHGJLLITYLFV-UHFFFAOYSA-N
-rxn:5:227912:178295:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,NCPNXQXDJOSAFR-UHFFFAOYSA-N
-rxn:5:227912:178295:227315,COC(=O)C1(c2cc(-c3cnc(CC(C)C)cc3F)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,POSZVQHVAYIUSA-UHFFFAOYSA-N
-rxn:5:227917:178295:228467,CCc1ccc(OC)c(-c2ccc(-c3cc(C(=O)OC)sc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XLFIUVGVNRZDGM-UHFFFAOYSA-N
-rxn:5:227922:178295:225395,CCc1cc(OC)ccc1-c1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,NIIZYMXKKBQMTB-UHFFFAOYSA-N
-rxn:5:227926:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,KXCLAFABLAJDBH-UHFFFAOYSA-N
-rxn:5:227932:178295:227522,COCc1ccc(C)c(-c2ccc(-c3ccc(C(=O)OC)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UXZBOEJVQDFLRX-UHFFFAOYSA-N
-rxn:5:227933:178295:226581,CCc1ccc(OC)cc1-c1ccc(-c2cccc(C(=O)N(C)C)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,USDJBSSJENIITE-UHFFFAOYSA-N
-rxn:5:227939:178295:227315,COC(=O)C1(c2cc(-c3cnc(CC(C)C)cc3F)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,RMSYYOGGGSCOJB-UHFFFAOYSA-N
-rxn:5:227956:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2cc(C)nc(C(C)C)c2)CCC(=O)CC1,CVVAWFXSMWSYEC-UHFFFAOYSA-N
-rxn:5:227974:178295:227724,COC(=O)C1(c2cc(-c3cc(OC(F)F)ccc3F)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,KCDLSHROUMPHIG-UHFFFAOYSA-N
-rxn:5:227999:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,SDDWADZQEYGTBJ-UHFFFAOYSA-N
-rxn:5:228000:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,WSDDBDRYWKPQSW-UHFFFAOYSA-N
-rxn:4:173286:223970,COCCOc1cc(OC(F)(F)F)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,OMMLPSXEAXPFSU-UHFFFAOYSA-N
-rxn:4:173340:224678,CCOC(=O)CC(=O)c1cc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc(C(F)(F)F)c1,NELLYGWOBJLXBL-UHFFFAOYSA-N
-rxn:4:173372:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,TUYWWYYCKWMPMR-UHFFFAOYSA-N
-rxn:4:173461:223559,COC(=O)Cc1ccc(OCc2ccccc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,IULOCTSACXLQLL-UHFFFAOYSA-N
-rxn:4:173593:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,MYZZZYZXUPHLEO-UHFFFAOYSA-N
-rxn:4:173596:225757,COC(=O)c1cc(-c2c(OC)ccc(OC)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(C(C)C)n1,CCCDKGQZOSMVNH-UHFFFAOYSA-N
-rxn:4:173596:225760,CCN(C)C(=O)c1ccc(-c2c(OC)ccc(OC)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(F)c1,BTTSERIPLFBSEK-UHFFFAOYSA-N
-rxn:4:173657:225278,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C(=O)OC)ccc1C(=O)OC)C2=O,NHWRSCUXORWBNX-UHFFFAOYSA-N
-rxn:4:173675:224853,Cc1oc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,WAXYHVYKXQPBPB-UHFFFAOYSA-N
-rxn:4:173763:222466,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,CSNAKDOVJMKUIB-UHFFFAOYSA-N
-rxn:4:173763:222582,COC(=O)C(=O)CC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1,OUKVJFHRRQGCQV-UHFFFAOYSA-N
-rxn:4:173763:222607,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1,LRUFOFMEKDSPMT-UHFFFAOYSA-N
-rxn:4:173763:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)c2)C1,XNAKAYFRMRKWMZ-UHFFFAOYSA-N
-rxn:4:173763:223660,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,UZANLXGQMBKIMV-UHFFFAOYSA-N
-rxn:4:173763:223671,COC(=O)C(=O)CC(=O)c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,PSHPDJCGGFUGMK-UHFFFAOYSA-N
-rxn:4:173763:223810,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1,AJQQEZJRVZMUFP-UHFFFAOYSA-N
-rxn:4:173763:223939,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1,QLIUARSLAXTNGB-UHFFFAOYSA-N
-rxn:4:173763:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)c2)CC1,ZLEXMBDKUKAZNK-UHFFFAOYSA-N
-rxn:4:173763:224408,COC(=O)C(=O)CC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)cc1,LQPFATAQYYEYLL-UHFFFAOYSA-N
-rxn:4:173802:225384,O=[N+]([O-])c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC(F)(F)F,DPYJHQZYUAEHHV-UHFFFAOYSA-N
-rxn:4:173809:224705,CC1CCN(c2ccc(-c3cc(C(F)(F)F)ccc3OC(C(F)(F)F)C(F)(F)F)c(F)c2F)CC1,IRHIXGLPUVOKNG-UHFFFAOYSA-N
-rxn:4:174016:222741,CS(=O)(=O)Cc1ccc(OCC(F)(F)F)c(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,SDHYLVBFFYLXTH-UHFFFAOYSA-N
-rxn:4:174071:224322,CC(C)COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC(F)(F)F,OXQUCSMCXOTMBQ-UHFFFAOYSA-N
-rxn:4:174444:224424,CCCC1CCC(c2ccc(-c3cc(C(=O)OC)cc(F)c3OCC3CCCCC3)cc2)CC1,VSGXGHHJKURABI-UHFFFAOYSA-N
-rxn:4:174522:222935,CC(C)[Si](C#Cc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1)(C(C)C)C(C)C,AGWKPKRDFYPNEQ-UHFFFAOYSA-N
-rxn:4:174522:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2C)c1,VVYAPXGMGLSQCY-UHFFFAOYSA-N
-rxn:4:174528:222874,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(Cl)c(C(=O)NC(C)(C)C)c1,PICQDJUTFMCMKO-UHFFFAOYSA-N
-rxn:4:174574:222545,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc1)C2=O,MRPLZIDZJHVIRM-UHFFFAOYSA-N
-rxn:4:174575:224746,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(N3CCN(C(C)=O)CC3)nc1)C2=O,PDAUCZRLHPWFLE-UHFFFAOYSA-N
-rxn:4:174605:224842,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c1)C2=O,YMHYNZDNYYFWOR-UHFFFAOYSA-N
-rxn:4:174625:223918,COC(=O)C(C)Oc1ccc2c(=O)c(-c3ccc(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)cc3)c(C)oc2c1,OGQLUQNWCTZYIK-UHFFFAOYSA-N
-rxn:4:174656:222468,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)c12)(C(C)C)C(C)C,CWKSKOVCYQQKHT-UHFFFAOYSA-N
-rxn:4:174756:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccc(OC(F)(F)C(F)(F)F)cc1C(F)(F)F,AZRHPVAMLMRLIQ-UHFFFAOYSA-N
-rxn:4:175126:223542,CCOCc1ccc(OC)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,MSGIFZVDUFDPSP-UHFFFAOYSA-N
-rxn:4:175269:223979,COC(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c(CS(C)(=O)=O)c1,MJEJUOWXWRZCBK-UHFFFAOYSA-N
-rxn:4:175271:223841,Cc1cc(F)c(-c2cc(OC(F)(F)F)ccc2OC2CCC2)cc1S(=O)(=O)N1CCN(C)CC1,YJBBOVLQRBEERI-UHFFFAOYSA-N
-rxn:4:175346:222584,Fc1cc(-c2ccc(OCCC3OCCO3)c(F)c2)ccc1OCCCN1CCNCC1,USBPHHFOUQBSKO-UHFFFAOYSA-N
-rxn:4:175486:223696,O=S(=O)(c1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C(F)(F)F)cc1)N1CCC2(CC1)OCCO2,XZVMRKCUXRJYKA-UHFFFAOYSA-N
-rxn:4:175919:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cc(OCC4CCOCC4)cc(C(F)(F)F)c3)c(F)cc(F)c2s1,SZMHNBWKIBBANL-UHFFFAOYSA-N
-rxn:4:175928:224326,C#Cc1cccc(OCC2CCCCC2)c1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,ZWDMZQFWIYWOJH-UHFFFAOYSA-N
-rxn:4:176018:224597,COc1cc(-c2cc(C3CC3)cc(N3CCOCC3)c2)c(F)cc1OCC1CCCCC1,XILQCOVZVHGALB-UHFFFAOYSA-N
-rxn:4:176018:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cc(OC)c(OCC3CCCCC3)cc2F)c1,DKDUCZAVXFDYIA-UHFFFAOYSA-N
-rxn:4:176048:222622,CCC(C)c1cc(-c2ccc(OCC3CCOCC3)c(C(C)(F)F)c2)cc(C2CCCNC2)n1,RRVGRYUPZSEHMU-UHFFFAOYSA-N
-rxn:4:176125:222395,O=C(Oc1cccc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,MSOUBBGPCQMELJ-UHFFFAOYSA-N
-rxn:4:176125:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cccc(OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)c1,MCIMKJQWXKVCRW-UHFFFAOYSA-N
-rxn:4:176168:222935,CC(C)[Si](c1c(F)cc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1F)(C(C)C)C(C)C,HEXUDFVUIBPHHD-UHFFFAOYSA-N
-rxn:4:176182:223896,COc1cccc(-c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C(=O)N(C(C)C)C(C)C,OMZOAVWICBXGDE-UHFFFAOYSA-N
-rxn:4:176182:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)CC1,GYMLGWLNJDLEAR-UHFFFAOYSA-N
-rxn:4:176184:223504,CCOC(=O)Cc1coc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc12,KLZGKAMSQSQWIR-UHFFFAOYSA-N
-rxn:4:176293:224842,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc1)C2=O,PNCCZRKHUOLJKR-UHFFFAOYSA-N
-rxn:4:176711:222598,CSc1cc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc(C(=O)C(F)(F)F)c1F,QZGLRLKKCJUTAX-UHFFFAOYSA-N
-rxn:4:177035:223559,CCOc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(F)c1OC,CYGQFPVVZOLVIB-UHFFFAOYSA-N
-rxn:4:178172:223973,Cc1cc(OCC2OCCO2)cc(C)c1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,SZVLIMGZGRIJAL-UHFFFAOYSA-N
-rxn:4:178296:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(C3(C(=O)OC)CCC(=O)CC3)ccc2F)cc1,XHORYMRHMQLBMB-UHFFFAOYSA-N
-rxn:4:178382:225189,CC(C)(C)c1cc(-c2cccc(CN3C(=O)CCC3=O)c2)cc(C(C)(C)C)c1C(C)(C)C,WCLRRVIZQSNQHN-UHFFFAOYSA-N
-rxn:4:178384:226982,CCCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UYWSZDZFORWTTO-UHFFFAOYSA-N
-rxn:4:178464:223559,CCOC(=O)c1ccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc(F)cc2c1,LVKDTWVGVSOOJM-UHFFFAOYSA-N
-rxn:4:178497:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OC)c(S(=O)(=O)C23CC(C2)C3)c1,VZIAFMAYGOZCQR-UHFFFAOYSA-N
-rxn:4:178530:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)OC(C)(C)C)c4ccccc34)cc21,ZLSSIOXPDYSKDY-UHFFFAOYSA-N
-rxn:4:178597:226922,Cc1cc(C2CC2)cc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,AWTVVBIGUIONOF-UHFFFAOYSA-N
-rxn:4:179640:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(C4CC4)cccc3C(F)(F)F)c2)CC1,YWCRJIKNZCUFCY-UHFFFAOYSA-N
-rxn:4:180055:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(C(F)(F)F)cc1-c1ccccc1Cl)N1CCC2(CC1)OCCO2,UDRKVOUACRTAOR-UHFFFAOYSA-N
-rxn:4:180414:224746,CC(=O)N1CCN(c2ccc(-c3ccc(SC=C4C(=O)OC(C)(C)OC4=O)cc3)cn2)CC1,PKMRFXNXORCRKG-UHFFFAOYSA-N
-rxn:4:180491:223712,COc1ccc(-c2ccc(C3CCOCC3)cc2C2CC2)cc1C12CC3CC(CC(C3)C1)C2,LEAXBUNUUYMHKC-UHFFFAOYSA-N
-rxn:4:180534:224746,CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccc(C=C5C(=O)OC(C)(C)OC5=O)o4)cc3)cn2)CC1,IZCNJAUKADQBMU-UHFFFAOYSA-N
-rxn:4:180792:222853,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCC(O)CC4)cc3)cc1C2=O,ODOFYKHPSMPQMJ-UHFFFAOYSA-N
-rxn:4:180815:225228,COc1ccc(-c2ccc(N3CCN(C)CC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,NQOBBRXGEGJLMT-UHFFFAOYSA-N
-rxn:4:182359:224280,COC1CCC2(CC1)Oc1ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc1C2=O,RYWQJJANQWRAHR-UHFFFAOYSA-N
-rxn:4:182376:224570,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3C2=O)C[C@@H]1C,VORQZGMVSSLJKK-SVQDFSSBSA-N
-rxn:4:182376:224653,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(Cl)cc4OCC4CCCCO4)cc3C2=O)C[C@@H]1C,MYEZZLDKTUBRNG-DWHBNZJTSA-N
-rxn:4:182376:224670,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(CN5CCN(C)CC5)ccc4F)cc3C2=O)C[C@@H]1C,AXSYNBBTECIHTF-BFVWLKTBSA-N
-rxn:4:182376:225228,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3C2=O)C[C@@H]1C,HBFKXTQRIKBIPB-CCMMMYSXSA-N
-rxn:4:183041:223500,Cc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2c1C(=O)CC2,QCLGESHZBKACLY-UHFFFAOYSA-N
-rxn:4:183274:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)CC1,LTYQWCHRUYWACH-UHFFFAOYSA-N
-rxn:4:183274:227668,COc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C)c1F,OMAWXNYFSWLNRJ-UHFFFAOYSA-N
-rxn:4:183274:228927,COc1nccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,TUMSVPDUQQBDRI-UHFFFAOYSA-N
-rxn:4:183646:222774,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)cc1OCC(F)(F)F,NADXRMZNXJLVJE-UHFFFAOYSA-N
-rxn:4:183671:224377,CCN(CC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,XPQYPTUCXHNMFL-UHFFFAOYSA-N
-rxn:4:183716:224255,CCOC(=O)c1ccc(N(CC)CC)c(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)c1,YBISCFHPUVBRFJ-UHFFFAOYSA-N
-rxn:4:183743:223998,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)ccc1C(=O)N1CCC1,SZACUXSGNZCHBY-UHFFFAOYSA-N
-rxn:4:183769:224002,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(-c2ccccc2C(F)(F)F)c(Cl)c1)N1CCCCC1,MZUSERKDPGNFOO-UHFFFAOYSA-N
-rxn:4:183770:223817,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnn(CCN2C(=O)c3ccccc3C2=O)c1)N1CCCCC1,ZNGKTCFMDNNNLR-UHFFFAOYSA-N
-rxn:4:183817:223979,CC(C)N(CCOc1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1)C(C)C,RIDKNWIXGZTHLH-UHFFFAOYSA-N
-rxn:4:183827:223831,COc1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1S(=O)(=O)N1CCC(C)CC1,QEYGTUFZTTXEMB-UHFFFAOYSA-N
-rxn:4:183844:222524,COC(=O)CN(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(C)cc1,AAPQKGZKCPJNFB-UHFFFAOYSA-N
-rxn:4:183861:223506,COC(=O)CN1CCC(COc2cccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,YQLVATOTZQSFRK-UHFFFAOYSA-N
-rxn:4:183869:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCC(OCC4CC4)C3)cc2)cc1,ABIUWNLTDBNLFC-UHFFFAOYSA-N
-rxn:4:183873:225348,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2C(=O)OC)c1,FUYJZCFWPCQFMC-UHFFFAOYSA-N
-rxn:4:183876:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,ULDDYDQGRJDHCC-UHFFFAOYSA-N
-rxn:4:183892:224246,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)c1,ZQVFFCKPFNZMAF-UHFFFAOYSA-N
-rxn:4:183915:225574,COC(=O)c1cc(C2CC2)ccc1-c1cc(OC(F)(F)F)ccc1OCCN1CCC(C)CC1,VFJMPHIAUODULO-UHFFFAOYSA-N
-rxn:4:183989:224509,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1ccc(Oc2ccc(C#N)cc2)cc1,GYXOTEUXLCLCTL-MHZLTWQESA-N
-rxn:4:184002:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)cc2)cc1,QELXERCCPIXKGN-UHFFFAOYSA-N
-rxn:4:184003:226583,O=C(Cc1ccc(-c2ccc(CN3CCOCC3)s2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,NPACYXJZCXVXGI-UHFFFAOYSA-N
-rxn:4:184030:227213,CCCCSc1cncc(-c2c(F)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,UVZSSULVJVFAOI-UHFFFAOYSA-N
-rxn:4:184070:225408,COC(=O)C1(c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2C)CCN(C(=O)OC(C)(C)C)C1,LQQYIDZCCRLALE-UHFFFAOYSA-N
-rxn:4:184090:227143,COC(=O)c1cc(-c2cc3ccc(OC)cc3s2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,SAJCIPBPHVAHJN-UHFFFAOYSA-N
-rxn:4:184118:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(OCCCCN3C(=O)c4ccccc4C3=O)ccc2Cl)CC1,GZJURZIPUQXYCS-UHFFFAOYSA-N
-rxn:4:184168:222702,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)c2ccccc12)C1CC1,IAIZKTOFPDJRIQ-UHFFFAOYSA-N
-rxn:4:184230:225564,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cccc(C(C)(C)C(=O)OC)c4)ccc(c23)C1=O,XSNSCIOLNBCMSY-UHFFFAOYSA-N
-rxn:4:184266:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)c(OCCC(F)(F)F)c3)c(F)c2)CC1,RFCDCSKBDVBIKM-MXVIHJGJSA-N
-rxn:4:184299:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc([N+](=O)[O-])c1OCCC(F)(F)F,SCDWQNLKEAVAMU-UHFFFAOYSA-N
-rxn:4:184313:222887,O=C(c1cccc(-c2ccc([N+](=O)[O-])c(OC(C(F)(F)F)C(F)(F)F)c2)c1)N1CCNCC1,RUNZMRSXRXKRCX-UHFFFAOYSA-N
-rxn:4:184468:224336,COC(=O)Cc1c(-c2ccc(N3CCCCC3)cc2C(F)(F)F)ccc(C(F)(F)F)c1C#N,HZRSFHGVXDWFHU-UHFFFAOYSA-N
-rxn:4:184735:222584,O=C(c1cccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CC(OCC(F)(F)F)C1,CCGWODJJDLVULT-UHFFFAOYSA-N
-rxn:4:184873:223591,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FKXVHIYFWBXJPM-UHFFFAOYSA-N
-rxn:4:184930:224258,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)c(Cl)c1,XNZFNVHWTWZTEJ-UHFFFAOYSA-N
-rxn:4:184969:222828,CC(C)Oc1cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)ccc1C(=O)ON1C(=O)CCC1=O,RCKZUDGNHMRQFO-UHFFFAOYSA-N
-rxn:4:185026:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,DLXRODBQAOFYQY-UHFFFAOYSA-N
-rxn:4:185071:224760,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)o3)C2)cc1,YFIWYLYJVNYZEO-UHFFFAOYSA-N
-rxn:4:185116:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)CC(=O)N1CCC(C(F)(F)F)CC1,JBHCVNUYYDVGEZ-UHFFFAOYSA-N
-rxn:4:185139:224930,CCN(CC)Cc1cc(-c2cc(CCN3CCC(C(=O)OC)CC3)ccc2F)ccc1OC,QKNIZMGDRJSGPM-UHFFFAOYSA-N
-rxn:4:185161:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)CC1,YJBHKBSNMAEJQU-MXVIHJGJSA-N
-rxn:4:185165:224847,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)ccc2C(F)(F)F)C1,FGDRFDJFBTWAKH-UHFFFAOYSA-N
-rxn:4:185207:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,MHKQTCLTSAFZCM-UHFFFAOYSA-N
-rxn:4:185210:225347,CCOc1cccc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,YJIPAJHCGOWXAC-UHFFFAOYSA-N
-rxn:4:185246:226490,COCCOc1ccc(F)c(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)c1,LPBUKQGUBHKTLH-UHFFFAOYSA-N
-rxn:4:185278:222845,CC(c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)c2)cc1)N1CCNCC1,IUDMUVLWYVEYGH-UHFFFAOYSA-N
-rxn:4:185297:224777,CCOc1ccc(C=C2SC(=S)N(c3cccc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)c3)C2=O)cc1OC,CAHYQNDYHBZUQX-UHFFFAOYSA-N
-rxn:4:185301:222875,Cc1ccc(-c2cc(C(=O)NC(C)(C)C)ccc2F)cc1OCCCN1CCC(C)CC1,OEYVPDVCXWMVRD-UHFFFAOYSA-N
-rxn:4:185305:223813,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,KELVIBYHRFEVCP-UHFFFAOYSA-N
-rxn:4:185312:226059,COc1cc(-c2ccc(C(C)C)cc2C(C)C)ccc1C1CCCN1C(=O)OC(C)(C)C,OLOBKVXKQFDLCG-UHFFFAOYSA-N
-rxn:4:185334:225306,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3c(OC)cc(F)c([Si](C)(C)C)c3F)ccc2OC)cc1,ZFXDCVYMIMAPJB-UHFFFAOYSA-N
-rxn:4:185337:224650,O=S(=O)(CC1CCCN1S(=O)(=O)c1ccccc1-c1cc(F)ccc1OCC1CCOCC1)c1ccccc1,XGRAVXOLQOBCAO-UHFFFAOYSA-N
-rxn:4:185338:225161,COc1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)c(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)C2)c1,LWFOFGNJRQAQCH-UHFFFAOYSA-N
-rxn:4:185343:222935,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)c3)C2=O)cc(OC)c1OC,IFFRJQQNQZGOAK-UHFFFAOYSA-N
-rxn:4:185358:225776,CCCc1cc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc(C(F)(F)F)c1,PUWJSIHOIMUVTD-UHFFFAOYSA-N
-rxn:4:185382:223560,COC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)nc2ccccc12,HVYZMTGVZUUNDP-UHFFFAOYSA-N
-rxn:4:185384:227377,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cncnc2C2CCCC2)C1,DNWSIHJDWPLWBB-UHFFFAOYSA-N
-rxn:4:185402:225896,CCCOc1ccc(-c2cc(OCCOC)c(F)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,GRTKAAZUWPRGIY-UHFFFAOYSA-N
-rxn:4:185406:223831,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,PBCPBFVYDPSWLH-UHFFFAOYSA-N
-rxn:4:185425:224290,COc1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,CVILFDOLERPOAD-UHFFFAOYSA-N
-rxn:4:185431:222927,COc1ccc(-c2cnc(N3CCCCC3O)nc2C)cc1C1SCCN1S(=O)(=O)c1ccc(C(C)C)cc1,OEQVWMODNAZZAJ-UHFFFAOYSA-N
-rxn:4:185438:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,NBRPQJTUFINFSE-UHFFFAOYSA-N
-rxn:4:185439:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CC2)c1,VDAKHFBWSRCGAL-UHFFFAOYSA-N
-rxn:4:185534:227323,CCC(C)c1cc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cnc1Cl,GGBKYLROYXDQPJ-UHFFFAOYSA-N
-rxn:4:185535:223181,CCNS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)c1,ILRMVLOIEZNHHI-NRFANRHFSA-N
-rxn:4:185535:223182,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)cc1,XQNDZIKIDKRQQZ-NRFANRHFSA-N
-rxn:4:185546:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,BAJFKJIMZLYJFX-UHFFFAOYSA-N
-rxn:4:185581:223831,COc1ccc(-c2ccc(-c3coc4cc(OCCN5CCOCC5)ccc4c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,LYBGMIQALPLRBQ-UHFFFAOYSA-N
-rxn:4:185589:226491,COCCOc1cc(Cl)cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)c1,POVLCKPTKIVZPT-UHFFFAOYSA-N
-rxn:4:185972:223482,CC(=O)OCc1cccc([N+](=O)[O-])c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,BOXKKQYDKYQKNK-UHFFFAOYSA-N
-rxn:4:186032:223982,CCOC(=O)c1cnc(C(F)(F)F)cc1-c1ccc(N2CCN(S(=O)(=O)CC)CC2)cc1,YKUZEVVDEPIUMC-UHFFFAOYSA-N
-rxn:4:186337:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(OCC4(C#N)CCC4)c3)cc2)CC1,JRVKEEIHFZWIAS-UHFFFAOYSA-N
-rxn:4:186537:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(-c4ccccc4OC(F)(F)F)c([N+](=O)[O-])c3)c(F)c2)CC1,PTAXUZOERLFTIS-UHFFFAOYSA-N
-rxn:4:186745:225089,CCCCCOc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCCC3)c2)c(F)c1F,GFSZTFBQNSYGLM-UHFFFAOYSA-N
-rxn:4:186749:223817,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cnn(CCN4C(=O)c5ccccc5C4=O)c3)c2)SC1=S,UJRVFOYJFHTACI-UHFFFAOYSA-N
-rxn:4:186814:226004,COc1cc(OC(F)(F)F)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1,JKTUDKDDIRCGAO-UHFFFAOYSA-N
-rxn:4:186822:225748,COC1CN(S(=O)(=O)c2cc(-c3ccncc3OCC3CCCO3)cc(C(F)(F)F)c2)C1,WNAUMWKSWFCWBW-UHFFFAOYSA-N
-rxn:4:186909:224129,CN(C(=O)c1cccc(-c2cc(C(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c1)C1CCCCC1,MJZYQPWBHPRUNW-OCSSWDANSA-N
-rxn:4:186910:225222,CC1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2/C=N/S(=O)C(C)(C)C)c(F)cn1,AXHQFCBCUGQSNE-VFLNYLIXSA-N
-rxn:4:186958:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(OCC(=O)N2CCCC2)c1,AQMBBRPRWPJNGZ-UHFFFAOYSA-N
-rxn:4:186991:222442,O=C(CS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c1)N1CCOCC1,GWCKJUXQLBOQLB-UHFFFAOYSA-N
-rxn:4:187026:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC(=O)CC2)c1,ILKLZVYBQQCNNL-UHFFFAOYSA-N
-rxn:4:187091:225222,CC1CCCCN1c1cc(-c2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)c(F)cn1,NMPYPMQUUPBIRU-UHFFFAOYSA-N
-rxn:4:187146:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,VTJXFIVETGKBCA-UHFFFAOYSA-N
-rxn:4:187146:226257,CCCCOc1ccc(F)cc1-c1ccc(F)cc1CC(=O)N1CCCC(C(F)(F)F)C1,DMZLVORZVQQFHV-UHFFFAOYSA-N
-rxn:4:187156:225333,O=C(CS(=O)(=O)c1ccccc1-c1ccc(COCC(F)(F)F)c(F)c1)N1CCC(F)(F)CC1,KMVOQYIGWVFZEJ-UHFFFAOYSA-N
-rxn:4:187185:224656,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(OC)c(OC4CCCC4)c3F)cc2)C1,KECJROFTPKHQES-UHFFFAOYSA-N
-rxn:4:187276:222528,O=C(NCCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,YYSUFAZTTPFQDK-UHFFFAOYSA-N
-rxn:4:187276:223255,CONC(=O)c1cccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,ULTCMSNUFWZZKK-UHFFFAOYSA-N
-rxn:4:187276:223558,O=C(OCc1ccccc1)N1CCc2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)ccc2C1,UPYYQTHFGKSRLI-UHFFFAOYSA-N
-rxn:4:187276:225075,COC(=O)c1cc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)cc2cn1,TURRXNILDGFPMF-UHFFFAOYSA-N
-rxn:4:187297:222546,COC1CCN(CCc2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)CC1,CLAGQFNCJXGJIY-UHFFFAOYSA-N
-rxn:4:187328:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4COS(=O)(=O)N4C(=O)OC(C)(C)C)cc3)cn2)CC1,XUIFRCLKZZUEMY-UHFFFAOYSA-N
-rxn:4:187373:222721,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,CMNMJPDQAVIYJG-UHFFFAOYSA-N
-rxn:4:187374:224746,CC(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)cn2)CC1,DLKHULPWPRQOAV-UHFFFAOYSA-N
-rxn:4:187376:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCCC(C)C4)cc3)cn2)CC1,CUBOQOFIMLYWEK-UHFFFAOYSA-N
-rxn:4:187414:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,OEPNDQNVCZPJHX-UHFFFAOYSA-N
-rxn:4:187433:224810,COC(=O)c1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(CN2CCCC(C)C2)c1,HWRIROHXHBACGC-UHFFFAOYSA-N
-rxn:4:187474:222539,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,VADUYQOQMIONJJ-UHFFFAOYSA-N
-rxn:4:187487:223528,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC,ISVOJMKHDZGDKL-UHFFFAOYSA-N
-rxn:4:187495:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1,UTIIJFFBSZKKNN-UHFFFAOYSA-N
-rxn:4:187576:223872,CCN(C(=O)c1cccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CCCCC1,DMHWWMQXRMDWRV-UHFFFAOYSA-N
-rxn:4:187581:223187,CONS(=O)(=O)c1cccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,QRHLARXNZPYXAB-UHFFFAOYSA-N
-rxn:4:187587:224276,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cc2Cl)CC1,LIUOHFCVFDQULP-UHFFFAOYSA-N
-rxn:4:187598:222580,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)c2ccccc12)N1CC(S(=O)(=O)C2CCCCC2)C1,FPVCLAHRWKBPCO-UHFFFAOYSA-N
-rxn:4:187600:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1,JHLQSXNOCBCUBQ-UHFFFAOYSA-N
-rxn:4:187631:226056,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3c4c(cc5c3CCC5)CCC4)cc2)CC1,HZEQLYBGKAAILW-UHFFFAOYSA-N
-rxn:4:187632:223075,CC(C)(C)OC(=O)N1CCOC(C)(c2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc2)C1,BQVKNGVSUKADAT-UHFFFAOYSA-N
-rxn:4:187634:223054,CC(c1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCC(O)C1,PTFGWUDJTXTRHS-UHFFFAOYSA-N
-rxn:4:187639:222845,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(C(C)N3CCNCC3)cc2)C2C=CS(=O)(=O)C2)cc1C,PYYJXARJZSVNSG-UHFFFAOYSA-N
-rxn:4:187639:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1C(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1,AMRKUXBQPNGDEZ-UHFFFAOYSA-N
-rxn:4:187663:223529,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,JUFSOQQAGCCUPS-UHFFFAOYSA-N
-rxn:4:187687:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2)cc1,GHTQRPNJFAQAPG-UHFFFAOYSA-N
-rxn:4:187852:223918,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)ccc32)cc1,BQRASLQZPVRHQK-UHFFFAOYSA-N
-rxn:4:187879:224847,CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)ccc21,GZNYRVBUYPCJAG-UHFFFAOYSA-N
-rxn:4:187896:222725,CCNS(=O)(=O)c1ccc(-c2c(OC)ccc3cc(C(=O)C(C)=CN(C)C)ccc23)c(C(F)(F)F)c1,WKNNBWJBTKFDDW-UHFFFAOYSA-N
-rxn:4:187909:222466,CC(C)N(C(=O)c1ccc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc2c1)C(C)C,ODWBCONHLUUNFS-UHFFFAOYSA-N
-rxn:4:187916:227449,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCOCC2)s1,JYPKRNQUZKNKQO-UHFFFAOYSA-N
-rxn:4:187970:223638,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c2ccccc21,JDLBNPAOVYTOPZ-UHFFFAOYSA-N
-rxn:4:187990:224277,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)cc1,GFNIVJCTWUVQQZ-UHFFFAOYSA-N
-rxn:4:188018:222935,COc1cc(C2c3c(oc4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)cc4c3=O)C(=O)N2C)cc(OC)c1OC,ZHIGTGSLULUNAQ-UHFFFAOYSA-N
-rxn:4:188501:223481,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)nc1,HSQFHQCBHHBMPQ-UHFFFAOYSA-N
-rxn:4:188681:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)c(Cl)c2)CC1,XSXUBGGHYSQYJL-UHFFFAOYSA-N
-rxn:4:188681:223901,CC1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2Cl)CC1,QHVBZHQQWRBPIB-UHFFFAOYSA-N
-rxn:4:188681:223952,CN1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2Cl)CC1,DPSQLVFDXAFSAT-UHFFFAOYSA-N
-rxn:4:189216:222621,CC(C)Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(F)c2)cc(C2CCCNC2)n1,GFMDGYDLNCRUTL-UHFFFAOYSA-N
-rxn:4:189356:222519,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C,YTVGYROXZYQWOQ-UHFFFAOYSA-N
-rxn:4:189356:222604,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1,GLTBIIICQVNYQD-UHFFFAOYSA-N
-rxn:4:189356:223497,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,JEQQFVLVJXQPJO-UHFFFAOYSA-N
-rxn:4:189356:223577,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,VJPQATBLUOSBOZ-UHFFFAOYSA-N
-rxn:4:189356:223597,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,HHOFWFWGFYLOQC-UHFFFAOYSA-N
-rxn:4:189356:223812,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,PJOAVNDFDXMFPI-UHFFFAOYSA-N
-rxn:4:189356:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3S(=O)(=O)CC)cc2F)CC1,XAAORMRPUNEOCI-UHFFFAOYSA-N
-rxn:4:189356:223969,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,YOCKAFOUXFDBSP-UHFFFAOYSA-N
-rxn:4:189424:223754,COc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,UIJYOLZWOOHOAN-UHFFFAOYSA-N
-rxn:4:189869:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(C(=O)N3CCSCC3)cc2C(F)(F)F)c1,GTYDAYZHAWRCQS-UHFFFAOYSA-N
-rxn:4:189885:223773,COc1cccc2cc(-c3c(C(F)(F)F)ccc(F)c3C(=O)N3CCOCC3)n(C(=O)OC(C)(C)C)c12,IVGIGAYMALGQNN-UHFFFAOYSA-N
-rxn:4:189922:224182,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(OCCN2CCOCC2)c(C)c1,YVZSMVJPHHVTOL-UHFFFAOYSA-N
-rxn:4:189944:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(CS(=O)(=O)N2CCOCC2)c1,OXTFSKKCTXNYMM-UHFFFAOYSA-N
-rxn:4:190053:225380,O=C(c1c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cccc1C(F)(F)F)N1CCCCC1,XXFYKILWCHQWOQ-UHFFFAOYSA-N
-rxn:4:190054:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(CC(=O)N3CCC(F)(F)CC3)cc2F)c1,AZKHKYKLUAKELZ-UHFFFAOYSA-N
-rxn:4:190078:225095,CCOC(=O)c1ccc(OCC)c(-c2c(C(F)(F)F)ccc(F)c2C(=O)N2CCCCC2)c1,PINQHOUVMDAJNO-UHFFFAOYSA-N
-rxn:4:190110:222631,CC(C)(C)c1cc(-c2ccc(C3CCCN3C(=O)C3CC3)cc2)cc(C2CCNCC2)n1,KMHVICGVRXPIPN-UHFFFAOYSA-N
-rxn:4:190116:222718,CCc1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)ccc1S(=O)(=O)N1CCCC1,HIEBIRMVRPETNV-UHFFFAOYSA-N
-rxn:4:190161:225227,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,UHEFJDHQCLRAIP-UHFFFAOYSA-N
-rxn:4:190174:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(F)cc1F,WQKGWNLTDULNOS-UHFFFAOYSA-N
-rxn:4:190214:224397,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,WBKBTLPYULVGPX-UHFFFAOYSA-N
-rxn:4:190228:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,JWWWFHZIZBDRGQ-UHFFFAOYSA-N
-rxn:4:190319:222698,CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)cc1,QSROPQPETMJQGT-UHFFFAOYSA-N
-rxn:4:190319:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2F)CC1,GRIIHYFGXVDVTE-UHFFFAOYSA-N
-rxn:4:190346:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cc(C)cc(CN2CCC(C(F)(F)F)CC2)c1,JGYSLSJOSQKHBM-UHFFFAOYSA-N
-rxn:4:190426:222758,Cc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)ccc1NC(=O)OC(C)(C)C,XLPRSZWNNARIRR-UHFFFAOYSA-N
-rxn:4:190446:224420,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,IDJCCJDVHJAPLX-UHFFFAOYSA-N
-rxn:4:190475:222799,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1S(=O)(=O)NC(C)(C)C,QWVLEISNIUEYKN-UHFFFAOYSA-N
-rxn:4:190475:222959,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1C1CCNCC1,FWEYMSGKXFSDBU-UHFFFAOYSA-N
-rxn:4:190475:223497,CC(c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PEFHFSHGHKRBHL-UHFFFAOYSA-N
-rxn:4:190475:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,HKIAFHBTELJPDZ-UHFFFAOYSA-N
-rxn:4:190475:223755,CC1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2F)CC1,UCHXQNXXXOUCLF-UHFFFAOYSA-N
-rxn:4:190475:223811,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,NVEKJRNOCPLWGE-UHFFFAOYSA-N
-rxn:4:190475:224975,CCN1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,YDZBSODTMNBRNG-UHFFFAOYSA-N
-rxn:4:190475:225220,CC1CCCCN1c1ncc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1Cl,RNCQEDRRQUFBFO-UHFFFAOYSA-N
-rxn:4:190475:225797,CC(C)(C)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1[N+](=O)[O-],HAUJJWGPMFEISD-UHFFFAOYSA-N
-rxn:4:190475:225825,CN1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cn2)CC1,PVVMJPOUGLGXNA-UHFFFAOYSA-N
-rxn:4:190475:225831,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cnc1N1CCOCC1,RHHRHDGAWRIJSC-UHFFFAOYSA-N
-rxn:4:190475:225859,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2cnc(N3CCCCC3)c(Cl)c2)cc1,PJLCYCDKXMVVGJ-UHFFFAOYSA-N
-rxn:4:190485:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3F)S(=O)(=O)CC2)c1,KRWRBHACDVSRBY-UHFFFAOYSA-N
-rxn:4:190662:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(s3)CCCC4C(=O)OCC)c(F)c2)CC1,OJSRINNDHQKTIP-DDDLIOIYSA-N
-rxn:4:190690:224256,CCOC(=O)c1[nH]c2c(c1-c1ccc(Cl)c(C(=O)N3CCCCC3C)c1)CCCC2=O,HIACYJMTXJFEEQ-UHFFFAOYSA-N
-rxn:4:190772:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,JGBZTEYGNTVKHJ-UHFFFAOYSA-N
-rxn:4:190772:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)c2)CC1,LQQTZNBPAGEASF-UHFFFAOYSA-N
-rxn:4:190772:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,IJFACBYHMWDKFF-UHFFFAOYSA-N
-rxn:4:190772:223926,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1,HOXQJQYNYHVVKT-UHFFFAOYSA-N
-rxn:4:190772:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2F)CC1,DHCCAGDBYXUNKH-UHFFFAOYSA-N
-rxn:4:190789:223994,COc1ccc(C(=O)N2CC3CC3C2)c(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1,HGMWBIXRNNDGHE-UHFFFAOYSA-N
-rxn:4:190827:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)C2=O,IODVIRKFGMJEMP-UHFFFAOYSA-N
-rxn:4:190829:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c(F)c1,TUAUIJCAJBNBPG-UHFFFAOYSA-N
-rxn:4:190869:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cc1,CAMJCFSPXHMEQV-INIZCTEOSA-N
-rxn:4:190933:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3=O)c1,SUAMVULRSOZACP-UHFFFAOYSA-N
-rxn:4:190972:224129,CN(C(=O)c1cccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1)C1CCCCC1,KSRCBPCLUFTABA-UHFFFAOYSA-N
-rxn:4:190972:226330,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1)N1CCCC1,CFALHOBRSCAYKC-UHFFFAOYSA-N
-rxn:4:190989:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC)cc3c2N(C(C)C)CCCO3)cc1,SPPBNWOXZFPRSM-UHFFFAOYSA-N
-rxn:4:191008:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1C,ZEDWGPBFDVEDNZ-UHFFFAOYSA-N
-rxn:4:191008:224845,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc2C1(C)C,QSFXGQTVGWHSRV-UHFFFAOYSA-N
-rxn:4:191032:222403,CC(C)NC(=S)Nc1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,OAXPRUNTTZCYFB-UHFFFAOYSA-N
-rxn:4:191032:225439,CC(c1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1)N1CCCC1,WEBAUTZZLVEKJE-UHFFFAOYSA-N
-rxn:4:191034:224398,Cc1cc(F)c(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCCC1,NJZWSYRKZQKCLW-UHFFFAOYSA-N
-rxn:4:191041:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c3ccccc23)CC1,BBDQYOSQTUNCPR-UHFFFAOYSA-N
-rxn:4:191042:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1,MNFPMMMPPHKVJF-UHFFFAOYSA-N
-rxn:4:191055:225498,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(CC2)C1,ODXJIUHGZQNJAK-UHFFFAOYSA-N
-rxn:4:191057:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,IWUCLQGYGSXUGX-IBGZPJMESA-N
-rxn:4:191062:224177,CC(C)COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(Cl)c1OC(C)C,WHBVMBORVRFXPX-UHFFFAOYSA-N
-rxn:4:191062:225446,Cc1cc(OC2CCCC2)cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,DBHNXDUJDZFCEJ-UHFFFAOYSA-N
-rxn:4:191062:225623,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(OC2CCOCC2)c1,VXJVFJNKFWTTAT-UHFFFAOYSA-N
-rxn:4:191062:226142,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(OC2CCCC2)c1,IRAQWYLGWGBUGB-UHFFFAOYSA-N
-rxn:4:191062:227448,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2COC2)c(F)c1,SREBXGMEQCWDHN-UHFFFAOYSA-N
-rxn:4:191072:226062,CC(C)c1cc(-c2cc3c(s2)C2(CCN(C(=O)OC(C)(C)C)CC2)OC3)cc(C(C)C)c1,HYKDBADBSIUAHF-UHFFFAOYSA-N
-rxn:4:191087:222758,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1NC(=O)OC(C)(C)C,WGRJDSIACXERCY-UHFFFAOYSA-N
-rxn:4:191089:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1)C(C)C,LUAXCAGHZPQCOS-UHFFFAOYSA-N
-rxn:4:191090:223101,CNS(=O)(=O)c1cc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)ccc1OC,CQCQMRBCOACSHW-UHFFFAOYSA-N
-rxn:4:191097:226059,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc21,RULGTNBNTGXZDP-UHFFFAOYSA-N
-rxn:4:191105:226153,COc1cc(C)c(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,VDQUVUQWTVKGFK-UHFFFAOYSA-N
-rxn:4:191105:227109,Cc1cc(Cl)c(C2CC2)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,ZJBKXGYBBALIDD-UHFFFAOYSA-N
-rxn:4:191105:227112,Cc1cc(C2CC2)c(Cl)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,XTNRCJVZICQQIN-UHFFFAOYSA-N
-rxn:4:191119:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,HDKFYYLHLOFQFI-UHFFFAOYSA-N
-rxn:4:191119:224274,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cc1C2=O,MDTZSEPBXGMLJJ-UHFFFAOYSA-N
-rxn:4:191123:226107,Cc1cc(OCC2CC2)cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,NKUCSOLKTBXDJL-UHFFFAOYSA-N
-rxn:4:191123:227591,COc1cc(C(F)F)ccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,VHXBGCOQASAYNV-UHFFFAOYSA-N
-rxn:4:191125:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,WCPKFNHSLYINMK-UHFFFAOYSA-N
-rxn:4:191135:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)cc2)CC1,RCSVYHNQUPYKIT-UHFFFAOYSA-N
-rxn:4:191136:224691,O=C(c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc(C(F)(F)F)c5)C(=O)C34)cc2)cc1)N1CC2(COC2)C1,PPBYPCGLRZCHJB-UHFFFAOYSA-N
-rxn:4:191174:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(OC)c(OC)c3)N(C)C5=O)c2)CC1,WKPUEOAOGMZMEF-UHFFFAOYSA-N
-rxn:4:191190:223606,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c2)cc1)N(Cc1ccco1)C3=O,JAQLSTUETFJNST-UHFFFAOYSA-N
-rxn:4:191194:222543,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)ccc(c23)C1=O,WNUGWVJOSRIVIR-UHFFFAOYSA-N
-rxn:4:191194:222675,COc1cc(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)ccc1NC(=O)OC(C)(C)C,AMUBYHPGZUHRIS-UHFFFAOYSA-N
-rxn:4:192616:223809,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,HYPGTHNRMJNMAA-UHFFFAOYSA-N
-rxn:4:192772:223489,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)C(=O)S1,BYCCRWMTOTWNLE-UHFFFAOYSA-N
-rxn:4:192772:223505,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C(=O)S1,UYWGBQOCFDYRCY-UHFFFAOYSA-N
-rxn:4:192772:223507,CSC1=NC(=Cc2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)S1,QNZIAQKYTFPVSB-UHFFFAOYSA-N
-rxn:4:192772:223525,CSC1=NC(=Cc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,OYVKHCZJUZCXNM-UHFFFAOYSA-N
-rxn:4:192772:223776,CSC1=NC(=Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2)C(=O)S1,DFGBOMKVDAUFJO-UHFFFAOYSA-N
-rxn:4:192772:223785,CCN1CCN(CCOc2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2Cl)CC1,KNCSZSGCSPLRIQ-UHFFFAOYSA-N
-rxn:4:192772:223809,CSC1=NC(=Cc2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)C(=O)S1,MYUALSXXNREQBU-UHFFFAOYSA-N
-rxn:4:192772:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2)CC1,QVFUDZGOKQEGJG-AQYVVDRMSA-N
-rxn:4:192772:223940,CSC1=NC(=Cc2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc2)C(=O)S1,DYTXDZWYMAOQJF-UHFFFAOYSA-N
-rxn:4:193195:223978,C=C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)o2)C1,YYNVRZFXLLWKAL-UHFFFAOYSA-N
-rxn:4:193233:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1,WSTUCTPGGDHTHZ-UHFFFAOYSA-N
-rxn:4:193356:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(S(=O)(=O)N2CCSCC2)c1,YVFVMAJFIZABQC-UHFFFAOYSA-N
-rxn:4:193458:223811,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1C1CCOCC1,YPHCVIOWSFUOHC-UHFFFAOYSA-N
-rxn:4:193518:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,WKQRZCRHHNSRID-UHFFFAOYSA-N
-rxn:4:193557:223840,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,VZSHSMGSQXBIDD-UHFFFAOYSA-N
-rxn:4:193570:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,DNQJLKPZPBKRPC-UHFFFAOYSA-N
-rxn:4:193619:224375,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c(F)cc1C(=O)N1CCOCC1,GVCVGSOPVMAIFM-UHFFFAOYSA-N
-rxn:4:193648:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cc(N4CCC(F)(F)CC4)cc(C(F)(F)F)c3)cc2)CC1,PCQDZHJGRMFRSZ-UHFFFAOYSA-N
-rxn:4:193689:223671,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,POIGWGFNXCSHPQ-UHFFFAOYSA-N
-rxn:4:193699:222791,Cc1cc(F)c(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1S(=O)(=O)N1CCOCC1,RJJYHQDRJXTAGX-UHFFFAOYSA-N
-rxn:4:193724:223918,CC1CCCCN1C(=O)c1cccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c1,RIUAUWXBLDIYAE-UHFFFAOYSA-N
-rxn:4:193773:223816,C[Si](C)(C)CCOCn1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)CO4)cc2)cc2c(Cl)ccnc21,SOFNREBPIXKRPY-UHFFFAOYSA-N
-rxn:4:193775:222784,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)cc1F,RIRNSFFEHSYZKU-UHFFFAOYSA-N
-rxn:4:193844:222718,Cc1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc(S(=O)(=O)N2CCCCC2)c1,FETAPAPYXVDGED-UHFFFAOYSA-N
-rxn:4:193874:224679,CC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cc2F)CC1,MJULTBAMBAPOJY-UHFFFAOYSA-N
-rxn:4:193910:226833,O=C1C(=Cc2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)SC(=S)N1C1CCS(=O)(=O)C1,NNBCLQMIZFWXPF-UHFFFAOYSA-N
-rxn:4:193929:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(C)(C)C4=NC(C)(C)CO4)cc3)c2)C1,CSUWQBQPPZLZIM-UHFFFAOYSA-N
-rxn:4:193931:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCCC4C)c(C)c3)c(F)c2)CC1,QGHHVESNBXYCQV-UHFFFAOYSA-N
-rxn:4:193957:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,HSNWIKVTAGQOKL-UHFFFAOYSA-N
-rxn:4:193981:224678,Cc1c(C(=O)N2CCCCC2)cc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)c(C)c1C,MAPUSLYTUPKCIV-UHFFFAOYSA-N
-rxn:4:193994:222695,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1,FVNKYSNIPYUNFI-UHFFFAOYSA-N
-rxn:4:193998:225048,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1C,XYFQIIHZDNFHSC-UHFFFAOYSA-N
-rxn:4:194002:225126,Cc1cc(-c2cc(F)ccc2OCC2CCCO2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,HKSMKJDMNGBEFC-UHFFFAOYSA-N
-rxn:4:194421:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(C(=O)N2CC3CC2CS3)c1,XBBPFLSZZHVFHM-UHFFFAOYSA-N
-rxn:4:194572:225175,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(F)c(CN2CCOCC2)c1,GKGQLJLROMIKNT-UHFFFAOYSA-N
-rxn:4:194615:222604,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)c4ccccc43)cc2)cc1S(=O)(=O)NC1CCCC1,HEGMEFZRFMAQHB-UHFFFAOYSA-N
-rxn:4:194625:222514,COc1ccc(-c2ccc3c(c2)CN(C(=O)C2CCCC2)C3)cc1S(=O)(=O)NC1CCCCC1,CAXMUPATFPBSAU-UHFFFAOYSA-N
-rxn:4:194645:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCO3)c(C(C)C)c1,DDAWJJMAYCBIRW-UHFFFAOYSA-N
-rxn:4:194649:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,ZFMJWMYZGJRTDE-UHFFFAOYSA-N
-rxn:4:194684:223786,CSc1ccc(N2Cc3cc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)ccc3OCC2=O)cc1,STSXFDRUQWIKOF-UHFFFAOYSA-N
-rxn:4:194730:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)CCC4N3CCC(OC)CC3)cc2)CCCC1,HISGUSIJTOKTTB-UHFFFAOYSA-N
-rxn:4:194730:224634,COc1ccc(-c2ccc3c(c2)CCC3N2CCC(OC)CC2)cc1CN1CCOCC1,HDBPHYHTIWBMOQ-UHFFFAOYSA-N
-rxn:4:194802:222935,Cc1ccc(N2C(=O)C3C(c4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,FNIONHRINXRYQY-UHFFFAOYSA-N
-rxn:4:194805:222545,CC(=O)ON1C(=O)c2cccc3c(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)ccc(c23)C1=O,XSSLMZKDTVPZIH-UHFFFAOYSA-N
-rxn:4:194822:222855,COc1cc(-c2ccc(C=NC3C4CC5CC(C4)CC3C5)cc2)cc(C2CCCNC2)c1,JMNHDNGRURLCLH-UHFFFAOYSA-N
-rxn:4:196169:223596,Cc1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c(S(N)(=O)=O)cc1Cl,RGTVGZUKGUISBU-UHFFFAOYSA-N
-rxn:4:196501:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCSC2)ccn1,AUPIGBQDZQECCR-UHFFFAOYSA-N
-rxn:4:196924:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(N3CCCCC3=O)c(F)c2)CC1,IVYPKRRYSNBGGI-UHFFFAOYSA-N
-rxn:4:197030:223841,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)ccc1N1CCCCC1=O,MKSRQTNWQMXYKY-UHFFFAOYSA-N
-rxn:4:197034:223845,Cc1c(C2=NC(C)(C)CO2)cccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,IDVFAUBBXMVKAA-UHFFFAOYSA-N
-rxn:4:197037:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(N2CCCCC2=O)c1,MOPNPYGDFLWMMN-UHFFFAOYSA-N
-rxn:4:197037:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(N2CCCCC2=O)c1,WCDOPEUIAKZZPP-UHFFFAOYSA-N
-rxn:4:197054:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,RCLLQHABJHSNOW-UHFFFAOYSA-N
-rxn:4:197060:223841,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCC(C)CC2)c1,XCAPNMVJLJONLN-UHFFFAOYSA-N
-rxn:4:197060:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(N2CCC(C)CC2)c1,NBDVOQNWTLUYTD-UHFFFAOYSA-N
-rxn:4:197061:223842,Cc1cc(C)c(N2CCCCC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,CXKOOWISZPDMJM-UHFFFAOYSA-N
-rxn:4:197061:223845,Cc1cc(C)c(N2CCCCC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c1,IOLUAARMRTVWNZ-UHFFFAOYSA-N
-rxn:4:197510:223608,NS(=O)(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc2c1OCC2,WWMBRYVXESPKHT-UHFFFAOYSA-N
-rxn:4:197727:223841,Cc1cc(F)c(-c2ccc3c(c2)OC(=O)N(C2CC2)C3)cc1S(=O)(=O)N1CCN(C)CC1,SQYJTGDMKBFDAO-UHFFFAOYSA-N
-rxn:4:197797:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)CCC(S(N)(=O)=O)C4)cc2F)CC1,KLBYIGHUDWQEAT-UHFFFAOYSA-N
-rxn:4:197891:224017,CC1(C)C(=O)N(C2CC2)c2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)ccc21,PSZKFIFFKINCLN-UHFFFAOYSA-N
-rxn:4:197903:224292,Cc1cc(-c2cccc(C=C3C(=O)C4CCN3CC4)c2)ccc1S(=O)(=O)OCC(C)(C)C,MSQCXFZVQYNFBQ-UHFFFAOYSA-N
-rxn:4:197936:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(C)(C)C)C(=O)CO3)cc1,AMMNSRMVVLLHHW-UHFFFAOYSA-N
-rxn:4:197936:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN(C(C)(C)C)C(=O)CO2,XCPNIPQCDDWWBJ-UHFFFAOYSA-N
-rxn:4:197989:224656,COc1ccc(-c2ccc3c(c2)CCCC3N2CCCCC2C)c(F)c1OC1CCCC1,KBECEYZXJUJLFV-UHFFFAOYSA-N
-rxn:4:199398:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4c(c3)C3C(CO4)CON3C)c2)CC1,ROJMHRJZCYYCHF-UHFFFAOYSA-N
-rxn:4:199537:222943,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)c([N+](=O)[O-])c1,PETWFRQQUFAGOL-UHFFFAOYSA-N
-rxn:4:199551:224828,CCOc1cc(OC(F)(F)F)cc(-c2cccc(F)c2OCCCN2CCC(C#N)CC2)c1F,XEOJBXZXRYAIIQ-UHFFFAOYSA-N
-rxn:4:199619:226493,COCCOc1ccc(-c2ccccc2CCCN2CCN(CC(F)(F)F)CC2)c(Cl)c1,YVSALURACTUQAP-UHFFFAOYSA-N
-rxn:4:199637:225569,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)ccc1C1CC1,HDCJUFVMOQYPBX-UHFFFAOYSA-N
-rxn:4:199642:223098,CCN1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)NC(C)=O)cc3)cc2Cl)CC1,JDLPYKQLGYVQNH-UHFFFAOYSA-N
-rxn:4:199646:226237,CN(C)CCOc1ccccc1-c1cccc(SCC2CCCN2C(=O)OC(C)(C)C)n1,XBRBUFJNFPYVQR-UHFFFAOYSA-N
-rxn:4:199694:225993,COC(=O)c1ccc(-c2ccc(OC)c(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)cc1[N+](=O)[O-],QQCJHEGQCANBIH-UHFFFAOYSA-N
-rxn:4:199745:224620,CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2-c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)CC1,NJGOHOZHSJVRPA-UHFFFAOYSA-N
-rxn:4:199750:223582,COC(=O)c1ccc2cc(-c3cccc(C(=O)Oc4ccccc4C(=O)c4cnn(C(C)(C)C)c4)c3)n(C(=O)OC(C)(C)C)c2c1,RZGOOULTJLEUKQ-UHFFFAOYSA-N
-rxn:4:199761:225975,CC(C)(C)OC(=O)N1CCN(CCc2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)CC1,OJKFQHGRNWAKQH-UHFFFAOYSA-N
-rxn:4:199765:225867,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(Cl)c(N2CCCCC2)c1,PRDKESRSUJOGFB-UHFFFAOYSA-N
-rxn:4:199771:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,GVAGTUREIWHGLJ-UHFFFAOYSA-N
-rxn:4:199776:228814,COc1ccc(-c2cccc(SC)c2Cl)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,UPKSMTXNBRMSRN-UHFFFAOYSA-N
-rxn:4:199820:224905,CSc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)cc3C(F)(F)F)cc2)cc1,UDXYSMSYHOMGBD-FQEVSTJZSA-N
-rxn:4:199825:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,HQIVDQQNNUDDOB-UHFFFAOYSA-N
-rxn:4:199825:226064,CN(Cc1ccc(-c2ccc(C3CCCCC3)cc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,AOFQYUWMTVUYSB-UHFFFAOYSA-N
-rxn:4:199832:227352,COC(=O)c1ccc(C)cc1-c1ccc(F)cc1CCN1CCN(C(=O)OC(C)(C)C)C(C)C1,CFYXWVITFNCZDG-UHFFFAOYSA-N
-rxn:4:199848:222709,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1-c1cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c1,BXUBXQBTGOLCSE-UHFFFAOYSA-N
-rxn:4:199851:224746,CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccc(C=C5SC(=S)N(CCCN6CCOCC6)C5=O)o4)cc3)cn2)CC1,WFEGBEQXPRHZOR-UHFFFAOYSA-N
-rxn:4:199860:222630,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,IKBHOIHPRPHRBR-UHFFFAOYSA-N
-rxn:4:199875:225203,COc1ccc(-c2cc(C(F)(F)F)c(C3CC3)cc2C)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,LGSOPEHYMJHWCY-UHFFFAOYSA-N
-rxn:4:199958:224077,COC(=O)CC1CCN(C(=O)Cn2ccc3cc(-c4cn([Si](C)(C)C(C)(C)C)c5ccccc45)ccc32)CC1,HRMOPUNEPKSDSU-UHFFFAOYSA-N
-rxn:4:199960:225346,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4ccc(OC)c(S(=O)(=O)N(C)C)c4)ccc32)CC1,MALSNHCXPCKAGG-UHFFFAOYSA-N
-rxn:4:199981:228249,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C)c(OC)c(Cl)c4)cc32)SC1=S,SWPGYAROQJTDIS-UHFFFAOYSA-N
-rxn:4:199999:225408,CC(C)(C)OC(=O)N=c1c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2ccn1C(=O)OC(C)(C)C,VQFOIIIQZNEOAR-UHFFFAOYSA-N
-rxn:4:199999:227494,CCC(C)c1nc(Cl)ncc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1,XMNJMXNTKIXIJR-UHFFFAOYSA-N
-rxn:4:200004:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1,ARHVTKNKCDYFTM-UHFFFAOYSA-N
-rxn:4:200007:229193,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3c(F)cncc3Cl)ccc21,QPFHDADJIFSDGK-UHFFFAOYSA-N
-rxn:4:200018:223503,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc21,INEQPRDQSRMHKF-UHFFFAOYSA-N
-rxn:4:200021:222517,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)ccc21,WNLFMIHEYOFSTG-UHFFFAOYSA-N
-rxn:4:200026:225004,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(CN5CCC(=O)CC5)cc4)cc3)C(=O)N2C1c1ccc(OC)cc1,WFECEKUYVOCJRD-UHFFFAOYSA-N
-rxn:4:200041:224683,O=C(c1cc(F)cc(-c2ccc(CN3CCc4c(OCC(=O)N5CCc6ccccc65)cccc4C3=O)cc2)c1)N1CCCCC1,LAKHRXLUTKJONP-UHFFFAOYSA-N
-rxn:4:200042:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCCN3C(=O)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,LDSSKNSZJKCTLH-UHFFFAOYSA-N
-rxn:4:200048:222392,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(NC(=O)Nc5ccc(Cl)cc5)c4)cc3)[n+](C)c3ccccc32)C1,VBSXLVRZQASGHT-UHFFFAOYSA-O
-rxn:4:200048:222568,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NCc5ccccc5F)cc4)cc3)[n+](C)c3ccccc32)C1,GFSXILQYXVOVHB-UHFFFAOYSA-O
-rxn:4:200048:222580,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cc3)[n+](C)c3ccccc32)C1,KYGLNQHNROKLBQ-UHFFFAOYSA-N
-rxn:4:200048:222813,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,MBQHYZRNGWWOLV-UHFFFAOYSA-O
-rxn:4:200048:222852,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCC(O)CC5)c4)cc3)[n+](C)c3ccccc32)C1,IHOUOOUBSQJYQI-UHFFFAOYSA-N
-rxn:4:200048:222881,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4F)cc3)[n+](C)c3ccccc32)C1,XECZFAQYNMRIIS-UHFFFAOYSA-O
-rxn:4:200048:222986,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C2CCCNC2)n1,WRRGFTJKJPFJDM-UHFFFAOYSA-N
-rxn:4:200048:222994,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N5CCC(O)CC5)c4)cc3)[n+](C)c3ccccc32)C1,YEGSOWJDLGRBGT-UHFFFAOYSA-N
-rxn:4:200048:223023,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CNC(=O)N(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,KWTWOTFQKVBSHF-UHFFFAOYSA-O
-rxn:4:200048:223159,CCNC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,RESRTQYHYUXOJC-UHFFFAOYSA-O
-rxn:4:200048:223240,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)[n+](C)c3ccccc32)C1,DNSJLPZYECHHIV-UHFFFAOYSA-N
-rxn:4:200048:223242,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(C5CCNC5)c4)cc3)[n+](C)c3ccccc32)C1,VYRCRLFNVSYGHJ-UHFFFAOYSA-N
-rxn:4:200048:223283,CNc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1[N+](=O)[O-],JJVVNKKIHBYRQC-UHFFFAOYSA-O
-rxn:4:200048:223490,Cc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ATPYUXYYPUPBOQ-UHFFFAOYSA-N
-rxn:4:200048:223561,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N(C(=O)OC(C)(C)C)c5ccccc5)cc4)cc3)[n+](C)c3ccccc32)C1,ZJYCUUCZZDNQHN-UHFFFAOYSA-N
-rxn:4:200048:223623,Cc1cc(C(C)(C)C)ccc1OCc1ccccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,WBJQXCUOPORZCF-UHFFFAOYSA-N
-rxn:4:200048:223674,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(COc5cc(C(F)(F)F)ccc5Cl)cc4)cc3)[n+](C)c3ccccc32)C1,LDVFDRZJBDUZCL-UHFFFAOYSA-N
-rxn:4:200048:223990,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)cc3)[n+](C)c3ccccc32)C1,UFUSIHVSHOEBBD-UHFFFAOYSA-N
-rxn:4:200048:224089,CC1CCN(CCOc2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)CC1,IYPUKSVMPFFRKL-UHFFFAOYSA-N
-rxn:4:200048:224612,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,NTPQCOOLRGMBKL-UHFFFAOYSA-N
-rxn:4:200048:224764,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,DXWJMNGNKKGIBV-UHFFFAOYSA-N
-rxn:4:200048:224817,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)[n+](C)c3ccccc32)C1,COUBSALPRJNCLV-UHFFFAOYSA-N
-rxn:4:200048:224949,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1CN1CCCC1,CCOJYOZDIQKFSO-UHFFFAOYSA-N
-rxn:4:200048:224991,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,YVVJTOZJANSQBF-UHFFFAOYSA-N
-rxn:4:200048:225106,CCN(CC)C(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,UJRBITUOZWBHDY-UHFFFAOYSA-N
-rxn:4:200048:225111,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c1OCC(C)C,PJFTUTRFOOHTJJ-UHFFFAOYSA-N
-rxn:4:200048:225155,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,RTBLJOJCHVDGNI-UHFFFAOYSA-N
-rxn:4:200048:225218,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N5CCCC(C)C5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,XROVVUZAAKTUOX-UHFFFAOYSA-N
-rxn:4:200048:225385,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,ZCEMMOVXCCQQSH-UHFFFAOYSA-N
-rxn:4:200048:225408,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)[n+](C)c3ccccc32)C1,AFADRTDHODYEPI-UHFFFAOYSA-N
-rxn:4:200048:225438,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)N5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,WIDSJYJPIDBNCD-UHFFFAOYSA-N
-rxn:4:200048:225456,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,HYDNKKLSSPWUEM-UHFFFAOYSA-N
-rxn:4:200048:225520,CCCCOC(=O)c1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,SFJYRRKWEIUATI-UHFFFAOYSA-N
-rxn:4:200048:225566,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC5(C)COC5)cc4)cc3)[n+](C)c3ccccc32)C1,PXEFAISLJKZHES-UHFFFAOYSA-N
-rxn:4:200048:225587,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,SLBFPBWXFQRYET-UHFFFAOYSA-N
-rxn:4:200048:225653,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCCC5C)nc4)cc3)[n+](C)c3ccccc32)C1,ZXSBLNZWBQARPK-UHFFFAOYSA-N
-rxn:4:200048:225664,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCCC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,CHVOPKJRRUCAHZ-UHFFFAOYSA-N
-rxn:4:200048:225738,CCCCOc1cc(F)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,XOPCMBAHCSXCCE-UHFFFAOYSA-N
-rxn:4:200048:225766,CCCOc1c(F)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1F,SBVWAHWKFYMFOV-UHFFFAOYSA-N
-rxn:4:200048:225802,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC5CCCC5)nc4F)cc3)[n+](C)c3ccccc32)C1,HTGRFKPISDZSNR-UHFFFAOYSA-N
-rxn:4:200048:225999,COC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c([N+](=O)[O-])c1,LBBKXFZHPIZURE-UHFFFAOYSA-N
-rxn:4:200048:226000,CC(=O)Oc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1[N+](=O)[O-],WLDUKVNCSZNCOY-UHFFFAOYSA-N
-rxn:4:200048:226050,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(F)cc(OC(F)(F)F)cc4F)cc3)[n+](C)c3ccccc32)C1,WLFUIQYOLUWNDI-UHFFFAOYSA-N
-rxn:4:200048:226119,Cc1ccc(OCC2CC2)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,QASDGEFETBXHPT-UHFFFAOYSA-N
-rxn:4:200048:226123,COCc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C1CC1,UJUBRBROSDIZGA-UHFFFAOYSA-N
-rxn:4:200048:226130,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,WRBBHEZLSOZZPN-UHFFFAOYSA-N
-rxn:4:200048:226145,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,HQZBVAAUIZOHMP-UHFFFAOYSA-N
-rxn:4:200048:226243,CCOC(=O)Cc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,XRNMGKXUFJEVSN-UHFFFAOYSA-N
-rxn:4:200048:226247,CCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OCC)c1,OPQLAAFEAJSIQB-UHFFFAOYSA-N
-rxn:4:200048:226268,CCCOc1c(SC)cccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,WQJZXKYPDDOCHK-UHFFFAOYSA-N
-rxn:4:200048:226298,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(F)cc4OCC4CC4)cc3)[n+](C)c3ccccc32)C1,RZBSFSIIMJDNJM-UHFFFAOYSA-N
-rxn:4:200048:226325,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)(C)C#N)cc4F)cc3)[n+](C)c3ccccc32)C1,PAUSTXXJABEXED-UHFFFAOYSA-N
-rxn:4:200048:226343,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC5CCOC5)cc4)cc3)[n+](C)c3ccccc32)C1,HECJGJJFMCIJFH-UHFFFAOYSA-N
-rxn:4:200048:226347,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OC(C)C)cc1F,SCHOFNNDFOSUFV-UHFFFAOYSA-N
-rxn:4:200048:226419,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCCC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,WJABMGOJVRBKDK-UHFFFAOYSA-N
-rxn:4:200048:226423,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)c(N5CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,QBKAKSGUMRFIHP-UHFFFAOYSA-N
-rxn:4:200048:226483,COCCOc1nc(C)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,UNWLVDGPZMVLTD-UHFFFAOYSA-N
-rxn:4:200048:226489,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCCF)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,BTXUZDLHAMKOBE-UHFFFAOYSA-N
-rxn:4:200048:226552,CCCOc1c(F)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,BFIXJKPVUQJSDO-UHFFFAOYSA-N
-rxn:4:200048:226584,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N(C)C)cc4Cl)cc3)[n+](C)c3ccccc32)C1,GTOYTPNIGJBSEM-UHFFFAOYSA-N
-rxn:4:200048:226775,COC(=O)c1cc(F)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,YTGWVRMTFMOOLV-UHFFFAOYSA-N
-rxn:4:200048:226776,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1F,MHCBAOJMYVICAN-UHFFFAOYSA-N
-rxn:4:200048:226874,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(Cl)cccc4OC(F)(F)F)cc3)[n+](C)c3ccccc32)C1,PJLSOEOMJMTTEX-UHFFFAOYSA-N
-rxn:4:200048:226915,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,RJBLOPVELYVTER-UHFFFAOYSA-N
-rxn:4:200048:226927,Cc1c(C)c(C)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1C,LGMZJIHUQYXMES-UHFFFAOYSA-N
-rxn:4:200048:226973,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)C(C)(C)CO5)cc3)[n+](C)c3ccccc32)C1,SJZACGVTUAOCJS-UHFFFAOYSA-N
-rxn:4:200048:227024,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(C)N(C)C)c4)cc3)[n+](C)c3ccccc32)C1,MRTUCNGCHSJIBH-UHFFFAOYSA-N
-rxn:4:200048:227043,Cc1cc(OC(C)C)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,PVZNHEMFKWEHAE-UHFFFAOYSA-N
-rxn:4:200048:227051,CCC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1,KCTCQCUIELFNNR-UHFFFAOYSA-N
-rxn:4:200048:227062,CCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1C,UFTACXLHSXJFPZ-UHFFFAOYSA-N
-rxn:4:200048:227063,Cc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OC(C)C)c1,GFLFTYVIUFGTFD-UHFFFAOYSA-N
-rxn:4:200048:227199,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)N(C)C(=O)C5)cc3)[n+](C)c3ccccc32)C1,YLYIOISAOFDFJO-UHFFFAOYSA-N
-rxn:4:200048:227234,CCOc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1C#N,RKUBMCURBZFAGN-UHFFFAOYSA-N
-rxn:4:200048:227256,CCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OC)c1,UALQVYIWQXENRU-UHFFFAOYSA-N
-rxn:4:200048:227349,COc1cc(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1OC,UBSZBFNCZRNVKS-UHFFFAOYSA-N
-rxn:4:200048:227370,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)[n+](C)c3ccccc32)C1,NHFVUCLEONUIPL-UHFFFAOYSA-N
-rxn:4:200048:227508,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C)n1,DVPBGHUEOWGWOB-UHFFFAOYSA-N
-rxn:4:200048:227577,CCOc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1F,UCSBCEJYZGLPCX-UHFFFAOYSA-N
-rxn:4:200048:227586,CCOc1ccc(Cl)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1F,QSAZOBGMKNAXDH-UHFFFAOYSA-N
-rxn:4:200048:227679,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)[n+](C)c3ccccc32)C1,UWCDCZBGPVNZER-UHFFFAOYSA-N
-rxn:4:200048:227680,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc5c4OC(F)(F)O5)cc3)[n+](C)c3ccccc32)C1,QLHNFIOOEORGQR-UHFFFAOYSA-N
-rxn:4:200048:227682,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)cc([N+](=O)[O-])c4)cc3)[n+](C)c3ccccc32)C1,FLXAGJQXUKJSTB-UHFFFAOYSA-N
-rxn:4:200048:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,OXSXWQUKLOPWRP-UHFFFAOYSA-N
-rxn:4:200048:227764,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)c(C(F)F)c(F)c4)cc3)[n+](C)c3ccccc32)C1,WNSGLDMQXQNODJ-UHFFFAOYSA-N
-rxn:4:200065:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)c1,XNGUCWBAFDSLRM-UHFFFAOYSA-N
-rxn:4:200198:222924,Cc1ccc(-c2cncc(C(=O)N3CC(OCC(F)(F)F)C3)c2)cc1S(=O)(=O)NC(C)C,IEAITKYCCQTUDL-UHFFFAOYSA-N
-rxn:4:200337:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CN(C(=O)OC(C)(C)C)C2)cc1,UQPBPLYOXWAIJS-UHFFFAOYSA-N
-rxn:4:200355:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)n(CCC4CCCCC4)n3)cc2)CC1,BCZSDUDFXXBDCS-SOAUALDESA-N
-rxn:4:200360:222770,CC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)c1,MDGGMAUMZVSJES-UHFFFAOYSA-N
-rxn:4:200366:223059,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(N4CCNCC4)cc3Cl)c(C#N)c2)C1,USBORULDBSLZPE-UHFFFAOYSA-N
-rxn:4:200368:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1C#N,PCGYKIJNMVVVQG-UHFFFAOYSA-N
-rxn:4:200413:224683,O=C(c1cc(F)cc(-c2ccc(CSC3=NCCN3C(=O)c3ccc(F)c(F)c3)cc2)c1)N1CCCCC1,CKEBRODEALJJLB-UHFFFAOYSA-N
-rxn:4:200423:224718,O=S(=O)(c1ccccc1-c1ccc(OCCN2CCOCC2)nc1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1,USINZDZZWXEETB-UHFFFAOYSA-N
-rxn:4:200433:224322,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1,GIIYQJDRFBZRTH-UHFFFAOYSA-N
-rxn:4:200476:222972,CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3ccccc3NC(=O)C(C)(C)C)cn2)C1,AYWLZAGPDLHXJT-SFHVURJKSA-N
-rxn:4:200512:224746,COc1ccc([N+](=O)[O-])cc1N1C(=O)CC(Sc2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2)C1=O,TWDOOLOIAMHAGO-UHFFFAOYSA-N
-rxn:4:200520:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CCC(=O)N4CCC(N5C(=O)CSC5=O)C4)cc3)cn2)CC1,WJFOBIDFEYFBGL-UHFFFAOYSA-N
-rxn:4:200541:224713,CCCCOc1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC)c(F)c3)C2)c(C(F)(F)F)c1,RVWRQEPQHULXKV-UHFFFAOYSA-N
-rxn:4:200584:224737,Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(OCC(C)C)cc3C(F)(F)F)cc2)cc1,BVZXFFOSQCKCFO-UHFFFAOYSA-N
-rxn:4:200609:225144,CC(C)N1CCN(Cc2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2OC(F)(F)F)CC1,CJEQBXCNRSFBCX-UHFFFAOYSA-N
-rxn:4:200639:225833,O=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2-c2ccnc(N3CCCCC3)c2F)CC1,FTKUSNRQKNCORY-UHFFFAOYSA-N
-rxn:4:200644:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(OC)c(S(=O)(=O)N3CCN(CC)CC3)cc2OC)c1,YTIJRXNSBROMRK-UHFFFAOYSA-N
-rxn:4:200648:224817,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCOCC3)c2)CC1,IDOXNXJNXJMOTA-UHFFFAOYSA-N
-rxn:4:200659:225318,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c(F)cc(N4CCOCC4)cc3F)c(F)c2)CC1,ORFUAMGDSAXCIO-UHFFFAOYSA-N
-rxn:4:200669:224414,COc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)c(C(=O)N2CCC(Oc3ccccn3)CC2)c1,IQKMXVUMZLYFLL-UHFFFAOYSA-N
-rxn:4:200673:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCCC(COc2ccncc2)C1,AUPAWWQMILNMFC-UHFFFAOYSA-N
-rxn:4:200698:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(CN3CCN(C(C)C)CC3)c(C(=O)OC)c2)c1,YSZNQESMRKCIKL-UHFFFAOYSA-N
-rxn:4:200703:223993,Cc1cc(-c2ccc(Cl)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,QPQLXVHAHKSZJF-UHFFFAOYSA-N
-rxn:4:200708:223941,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c(F)c2)CC1,VSONIFUOPIOAEL-UHFFFAOYSA-N
-rxn:4:200722:224617,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)CC1,WVTIUWHSDJWTHF-UHFFFAOYSA-N
-rxn:4:200728:227994,CC(C)c1ccc(Cl)c(-c2ccc(F)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,YSZHDOCOIVTBGZ-UHFFFAOYSA-N
-rxn:4:200729:224433,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3ccccc3OCCc3ccccc3)c2)CC1,PPGYECKFCCPSQY-UHFFFAOYSA-N
-rxn:4:200737:224690,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(CN4CCC(=O)CC4)cc3F)c(C(F)(F)F)n2)C1,LYQWYUSEUNAUTL-UHFFFAOYSA-N
-rxn:4:200741:224490,COc1cc(C)c(-c2ccccc2OCCN2CCCCC2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,DUBGZVBPABOBLL-UHFFFAOYSA-N
-rxn:4:200746:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cl)c(C(=O)N4CC(Oc5cc(C)n(C6CC6)c(=O)c5)C4)c3)cc2)CC1,NASKCFINXNYBJH-SOAUALDESA-N
-rxn:4:200754:224405,CCOc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1CN1CCN(C(C)C)CC1,QRXJWQZFKCRNDC-UHFFFAOYSA-N
-rxn:4:200773:226662,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)=NN2S(C)(=O)=O)c1,WEYMSKSHQPFSHJ-UHFFFAOYSA-N
-rxn:4:200788:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c2)cc1,FQEFXBKYHOZXEZ-UHFFFAOYSA-N
-rxn:4:200800:224976,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(N4CCCCC4)c3C#N)CC2)ccn1,NZDYPQZVCLOMFI-UHFFFAOYSA-N
-rxn:4:200840:227441,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCC4)c(Cl)c3)cc2N2CCCC2)C1,MWZKQVUGKBAUKB-UHFFFAOYSA-N
-rxn:4:200843:223699,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c(C3CC3)c2)CC1,HIFDLUFRESMMFK-UHFFFAOYSA-N
-rxn:4:200878:223079,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(S(=O)(=O)NC(C)C)c4)o2)CC3)cc1,XIPZLXFYWLLEMW-UHFFFAOYSA-N
-rxn:4:200902:225505,CCCCn1ncc2cc(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(OC)cc4)cc3)ccc21,IQPSEYCIAPIFQO-UHFFFAOYSA-N
-rxn:4:200903:222412,CNC(=O)Nc1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cc1,MNTMFYDYSDXJMZ-UHFFFAOYSA-N
-rxn:4:200903:222746,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2C(C)C)CC1,MKPHKUMNPFJZDA-UHFFFAOYSA-N
-rxn:4:200903:223046,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(C(=O)NC4CC4)c3)cc2C(C)C)CC1,JLHVYNKWKJMFPQ-UHFFFAOYSA-N
-rxn:4:200903:223185,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CNCCO4)nc3)cc2C(C)C)CC1,FPSZQZHYJUTLHD-UHFFFAOYSA-N
-rxn:4:200903:223508,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2C(C)C)CC1,WZLLCFHKTPTEIK-UHFFFAOYSA-N
-rxn:4:200903:224752,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C)cc2C(C)C)CC1,LGCROVBBZDDKOL-UHFFFAOYSA-N
-rxn:4:200903:225745,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(CC(C)C)c([N+](=O)[O-])c3)cc2C(C)C)CC1,NRNMFCRALSTKBJ-UHFFFAOYSA-N
-rxn:4:200903:227701,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c(F)cn1,GNSYYSXPNWCIPG-UHFFFAOYSA-N
-rxn:4:200906:224746,CC(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)c(C)cc3C)cn2)CC1,LFARGIPVYKLUDT-UHFFFAOYSA-N
-rxn:4:200910:222545,COC(=O)Cc1[nH]c2ncc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2c1C(=O)OC,WVDGIFHWSMBELP-UHFFFAOYSA-N
-rxn:4:200935:224821,CCN(CC)CCN1C(=O)C(=O)c2cc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc21,LPQHXKKCTXESRG-UHFFFAOYSA-N
-rxn:4:201022:223570,CCn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc2cc(C(=O)OC)ccc21,JOAXPJLDCYRAAU-UHFFFAOYSA-N
-rxn:4:201058:224746,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c1,ABEILWORPFQIDB-UHFFFAOYSA-N
-rxn:4:201113:224020,COc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,MJQVJYRPUMVUGZ-UHFFFAOYSA-N
-rxn:4:201120:225882,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3)C(=O)N2C1c1ccccc1,CJYFEYWZLVLIEW-UHFFFAOYSA-N
-rxn:4:201124:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,PJKKMPRHBCHCNT-UHFFFAOYSA-N
-rxn:4:201124:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,RPIDIKQCOURGRU-UHFFFAOYSA-N
-rxn:4:201134:223035,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccnc3NC(=O)C(C)(C)C)c3ccccc23)CC1,SOXXMCVPHTWTIC-UHFFFAOYSA-N
-rxn:4:201150:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cn2)CC1,USCSUYNGKQRLBJ-UHFFFAOYSA-N
-rxn:4:201151:224418,CC(C)(C)OC(=O)N1CCCC(CN2CCc3cc(-c4cccc5c4-c4ccccc4C5(C)C)ccc3C2)C1,YTZWGDRKMMSZOC-UHFFFAOYSA-N
-rxn:4:201192:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)cc1,DZFFUFXTGYBZHE-UHFFFAOYSA-N
-rxn:4:201192:224273,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc5ncccc5n4C(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,OPEXDSNQADSAKN-UHFFFAOYSA-N
-rxn:4:201226:223559,COC(=O)c1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)[nH]c1C(=O)OC,OVYUAUYAWUAJQS-UHFFFAOYSA-N
-rxn:4:201572:224397,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)sc1N1CCOCC1,TTZCOXNAJNRMHP-UHFFFAOYSA-N
-rxn:4:201621:224664,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)cc1,ARZRIJOPFBNJLU-UHFFFAOYSA-N
-rxn:4:201674:224805,CCOC(=O)c1cc(-c2cc(F)ccc2N2CCCC(C(=O)CC#N)C2=O)cc(C(F)(F)F)c1,ARILLCVMAADLKD-UHFFFAOYSA-N
-rxn:4:201704:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)o1,AGKGHRVEADGBGQ-UHFFFAOYSA-N
-rxn:4:201744:224401,CCOc1ccc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN=C1C,LECGDKBDTQUVPJ-UHFFFAOYSA-N
-rxn:4:201744:225310,CCOc1ccc(-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)cc1S(=O)(=O)N1CCN=C1C,CGXRZYDFJQIXCA-UHFFFAOYSA-N
-rxn:4:201797:222935,Cc1cc(N2CCCC(C(=O)CC#N)C2=O)ccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,BHCMRESEYRYYDN-UHFFFAOYSA-N
-rxn:4:201799:222935,Cc1cccc(N2CCCC(C(=O)CC#N)C2=O)c1-c1ccc(CNS(=O)(=O)N(C)C)cc1,XQOTZCUCEQEADP-UHFFFAOYSA-N
-rxn:4:201823:226559,CC(C)(C)OC(=O)c1csc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1,DQBYARWWKYXBNK-UHFFFAOYSA-N
-rxn:4:201836:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2csc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc1,QJJUJSCIKDOQNT-UHFFFAOYSA-N
-rxn:4:201907:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CCC(N5C(=O)COC5=O)C4)cc3)cn2)CC1,NHFRLOJPIKEPGT-UHFFFAOYSA-N
-rxn:4:201922:224768,CCN1CCN(CCc2ccc(F)c(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)c2)CC1,GHYGSJDHPOQQSZ-UHFFFAOYSA-N
-rxn:4:201945:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1,QPXJPTMEHPCYOK-OAQYLSRUSA-N
-rxn:4:201956:224254,CCN1CCN(C(=O)c2cc(OC)cc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)c2)CC1,JGTCEEAIPWZMKZ-UHFFFAOYSA-N
-rxn:4:201975:222740,CC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc(C2CCCNC2)n1,QQNIBBHAPFBMGS-UHFFFAOYSA-N
-rxn:4:201992:225984,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)C1,UWZSTIONZNLZPQ-UHFFFAOYSA-N
-rxn:4:202006:222973,CCOc1cc(-c2cccc(C(=O)NC(C)(C)C)c2)ccc1S(=O)(=O)N1CCN(C)CC1,OPHIMQQRNHBSMK-UHFFFAOYSA-N
-rxn:4:202008:223007,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(C2CCNCC2)c1,IXMBHQARUHMEQZ-UHFFFAOYSA-N
-rxn:4:202062:223042,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc(C(=O)NC(C)C)c(Cl)c3)c2C)CC1,KIKMSYXOJJGOHP-UHFFFAOYSA-N
-rxn:4:202076:224683,CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)o2)CC1,RDIKZSVWLLDANZ-UHFFFAOYSA-N
-rxn:4:202077:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccnc2OC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,ZIHXTIXIUPKZLW-UHFFFAOYSA-N
-rxn:4:202081:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ccncc4)C3)cc2)cc1)N1CCC2(CC1)OCCO2,INTRQKQULBRJRW-UHFFFAOYSA-N
-rxn:4:202083:222700,O=S(=O)(c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1)N1CCC(Oc2ncccc2Cl)CC1,RMYRXMRNSBCHJY-UHFFFAOYSA-N
-rxn:4:202110:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,DSZLNJKBJRSFHX-UHFFFAOYSA-N
-rxn:4:202222:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ccn2)c2ccccc12,ZPRWTDWLRFGTJV-UHFFFAOYSA-N
-rxn:4:202224:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,RVYOCINRNQIFHP-UHFFFAOYSA-N
-rxn:4:202231:223933,Cc1cc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,FSYDLLKBQISZGH-UHFFFAOYSA-N
-rxn:4:202275:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,BLONTTYDLQQVEW-UHFFFAOYSA-N
-rxn:4:202284:225198,COc1ccc(-c2c(F)cccc2OC2CCCCO2)cc1CN1CCC(N2CCCC2)CC1,UBFUFWDQINGWHY-UHFFFAOYSA-N
-rxn:4:202284:225879,COc1ccc(-c2ccc(N3CCOCC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,NECBSNLTUHVSHP-UHFFFAOYSA-N
-rxn:4:202285:224603,COC1CCN(Cc2ccc(-c3cccc4c3cnn4C3CCCCO3)cc2N2CCCC2)CC1,OMTKQWYBJLTOPR-UHFFFAOYSA-N
-rxn:4:202285:226519,COc1cc(-c2ccc(CN3CCC(OC)CC3)c(N3CCCC3)c2)cc(OC)c1OC,WGGKQOPTEDZXEL-UHFFFAOYSA-N
-rxn:4:202287:226021,O=C(c1ccccc1-c1cc(Cl)ccc1OCC(F)(F)F)N1CCCSCC1CN1CCOCC1,WFWFQOGVDMYSRA-UHFFFAOYSA-N
-rxn:4:202289:222453,COc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,HGNNUFVWJMXKBZ-UHFFFAOYSA-N
-rxn:4:202295:223607,COc1cc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,DPBBGKONNNMIMW-UHFFFAOYSA-N
-rxn:4:202302:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cccc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1,JMLVUAWWHVNQJA-UHFFFAOYSA-N
-rxn:4:202312:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)cc1,OPLHZKRLDRBXPX-UHFFFAOYSA-N
-rxn:4:202328:228021,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C(C)=O)c3)CC2)CC1,JGMIIDAUHIVYQE-UHFFFAOYSA-N
-rxn:4:202338:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)cc1,BXYJTVXAOMBSOM-UHFFFAOYSA-N
-rxn:4:202338:226108,CC(C)(C)COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)c1,PFSZEMFUHQOLJI-UHFFFAOYSA-N
-rxn:4:202451:223828,CCOC(=O)c1cc(-c2cc(N3CCN(CC)CC3)cc(C(F)(F)F)c2)c2c(c1)nc(C)n2CC,KGFFXNWCYUVFIQ-UHFFFAOYSA-N
-rxn:4:202559:223183,CNS(=O)(=O)c1ccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c(C)c1,ITRHANMCGPMGON-UHFFFAOYSA-N
-rxn:4:202597:222653,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(F)c(C(=O)Nc4ccccc4)c3)ccc21,GCWOCLNUQMMVFV-UHFFFAOYSA-N
-rxn:4:202606:228951,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(Cl)c(F)c1F,FTWOLFDVUFWDQX-UHFFFAOYSA-N
-rxn:4:202620:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c1,TZLLUBBNWVCSEB-UHFFFAOYSA-N
-rxn:4:202648:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)ccc1Cl,HEJOTVDLQBRUNM-UHFFFAOYSA-N
-rxn:4:202654:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)c1,HOJRYBKFJHGKKA-UHFFFAOYSA-N
-rxn:4:202657:223971,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cccc2c1N1CCC(C)CC1,MKKDUQIUWCKHEZ-UHFFFAOYSA-N
-rxn:4:202674:223838,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cnc21,WLCAYYBRCKJBND-UHFFFAOYSA-N
-rxn:4:202676:222707,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cc21,MWLUFAWKPPYYKW-UHFFFAOYSA-N
-rxn:4:202676:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cnc2ccn([Si](C(C)C)(C(C)C)C(C)C)c2c1,AGQMUARGOUVSJV-UHFFFAOYSA-N
-rxn:4:202679:222785,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(F)c(NC(=O)OC(C)(C)C)c3)nc(Cl)c21,CCNHBDHUSGNWKD-UHFFFAOYSA-N
-rxn:4:202679:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c(Cl)n2)c1,QFRSYHBPJFJTIJ-UHFFFAOYSA-N
-rxn:4:202714:225742,CCCOc1cc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc(Cl)c1OC,HPJCDPDHEMPXCX-UHFFFAOYSA-N
-rxn:4:202720:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCC5)cnc5ccc(C)cc45)cc3)c2)CC1,MOHRCMIOVXLENF-UHFFFAOYSA-N
-rxn:4:202778:224566,CCn1c2c(c3cc(-c4ccc(C5(C(=O)OC)CCCC5)cc4)ccc31)CN(C(=O)OC(C)(C)C)CC2,ZPGIFMJFFTZJKN-UHFFFAOYSA-N
-rxn:4:202817:222611,CCc1cccc(N2C(=O)N(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4OC)cc3)C3CC2(C)Oc2ccccc23)c1,NBYYEJKRLNWSNP-UHFFFAOYSA-N
-rxn:4:202818:222467,Cc1ccc(C2Oc3ccc(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,TZXROFBHOSRFSB-UHFFFAOYSA-N
-rxn:4:203053:223559,CON(C)C(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccn1,XVWRALFZMJSAFZ-UHFFFAOYSA-N
-rxn:4:203511:223559,COC(=O)c1nc(C(C)(C)C)ncc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,MYUHJEOVFNOMGY-UHFFFAOYSA-N
-rxn:4:203596:224367,CC(C)COc1cc(-c2ccc([N+](=O)[O-])c(CN3CCC(F)(F)C3)c2)ccc1OC(F)(F)F,HFZVSWUKERURJG-UHFFFAOYSA-N
-rxn:4:203630:223784,CCCc1nc(N2CCOCC2)sc1-c1ccc(OCCN2CCN(CC)CC2)c(F)c1,XUHLFYQLMHFKOY-UHFFFAOYSA-N
-rxn:4:203639:223787,CN1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)cc2F)CC1,ZRNRQKZPCCFULY-UHFFFAOYSA-N
-rxn:4:203651:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1F,NUWFHHPSABTDOC-UHFFFAOYSA-N
-rxn:4:203709:226476,CCCCOc1ncc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc1Cl,VZLLJRPPKRKTKH-UHFFFAOYSA-N
-rxn:4:203709:226479,CCCCOc1nccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1Cl,OGWUCNLCEBOUED-UHFFFAOYSA-N
-rxn:4:203709:226482,COCCOc1ncc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc1C,SFRWAPMSWMXQIH-UHFFFAOYSA-N
-rxn:4:203709:226494,CCN(CC)c1ncc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(C)n1,UOLBLTIRHFABAR-UHFFFAOYSA-N
-rxn:4:203709:226500,CC(C)COc1ncc(Cl)cc1-c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)C2)o1,HAJJZJXEFBQPCZ-UHFFFAOYSA-N
-rxn:4:203709:226507,CC(C)COc1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(F)cn1,NMDBGPDTBGDEJO-UHFFFAOYSA-N
-rxn:4:203709:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)C2)o1,ZJVMJTDGRJQHCE-UHFFFAOYSA-N
-rxn:4:203712:226424,CC1CCCN(c2csc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)C1,ACAQKKXQHZXTBT-UHFFFAOYSA-N
-rxn:4:203712:226426,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)s2)CC1,QNYFNMBIMXLRAK-UHFFFAOYSA-N
-rxn:4:203712:226444,Cc1nc(C2CCCO2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,LBUODRIVPVIGIY-UHFFFAOYSA-N
-rxn:4:203730:222721,COc1ncc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1C(=O)N1CCCCC1,CWQUZCZMSSPDTL-UHFFFAOYSA-N
-rxn:4:203738:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(C(=O)N2CCC(OC)CC2)c(Cl)c1,BADHNKUKGFFBAX-UHFFFAOYSA-N
-rxn:4:203763:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4C(=O)CC(Sc5ccccn5)C4=O)cc3)c(F)c2)CC1,BKJBXDWQXUUWRE-UHFFFAOYSA-N
-rxn:4:203768:222613,CCCNS(=O)(=O)c1ccc(-c2cnc(N(C)C(=O)C(C)(C)C)c(C)c2)c(C(F)(F)F)c1,QEIQOYKAIMZVDF-UHFFFAOYSA-N
-rxn:4:203775:222604,COc1ccc(-c2cncc(S(=O)(=O)N3CCC(OC)CC3)c2)cc1S(=O)(=O)NC1CCCC1,OLKSFLGZSWBMCN-UHFFFAOYSA-N
-rxn:4:203815:222588,CCN1CCN(C(=O)c2ccc(Cl)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,DWHJMSBGLIKVGW-UHFFFAOYSA-N
-rxn:4:203863:223482,CCN1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2Cl)CC1,SVSDCWBHXMVFFZ-UHFFFAOYSA-N
-rxn:4:203872:224176,CCN1CCN(Cc2ccc(F)cc2-c2ccc(OCCSC3CCOCC3)cc2)CC1,ALFBWDKLXIJLLX-UHFFFAOYSA-N
-rxn:4:203874:222465,CN1CCN(CCc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c(F)c2)CC1,MXBGJGKPOJNGNY-UHFFFAOYSA-N
-rxn:4:203881:222522,COc1ccc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCC(O)CC1,CDWCFFVXCYIASO-UHFFFAOYSA-N
-rxn:4:203881:224818,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)n2)CC1,SUCCCRGZUZTGTF-UHFFFAOYSA-N
-rxn:4:203897:222729,CCCc1cc(-c2cccc(N3CCN(S(=O)(=O)CC)CC3)c2)cc(C2CCCNC2)n1,JOBNEUGRZDPYQV-UHFFFAOYSA-N
-rxn:4:203915:227447,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2c(F)ccc(C3CC3)c2F)C1,JVRZTXSTMIOCRK-UHFFFAOYSA-N
-rxn:4:203939:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,LPLHZWLKUAZAPP-UHFFFAOYSA-N
-rxn:4:203939:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1,FHZRLJBWZBHINC-UHFFFAOYSA-N
-rxn:4:203971:225144,CN(C)C1CCN(C(=O)c2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2F)CC1,QKROXUPDOLVSQT-UHFFFAOYSA-N
-rxn:4:203987:224034,CCCCc1ccc(-c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)cc2)cc1,HROYDYJKGFUOBV-UHFFFAOYSA-N
-rxn:4:204007:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3F)cn2)CC1,YINVTEJFUZPNHL-UHFFFAOYSA-N
-rxn:4:204013:223596,CN(C)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,YQSBGYPEOUXIPY-UHFFFAOYSA-N
-rxn:4:204032:224397,CN1CCN(C(=O)C2(c3ccc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cc3)CC2)CC1,IGJFUTGZTNHIHQ-UHFFFAOYSA-N
-rxn:4:204050:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cn2)CC1,NNRFLYGNCWMZPR-UHFFFAOYSA-N
-rxn:4:204068:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1,YUDHLLCYEPYWKR-UHFFFAOYSA-N
-rxn:4:204068:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1,ONBBJPFWCCTMNO-UHFFFAOYSA-N
-rxn:4:204099:222870,CC(C)CNC(=O)c1cc(F)cc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)c1,OYPXTJYXHZQERY-UHFFFAOYSA-N
-rxn:4:204109:222621,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(C2CCCNC2)n1,RBCRCCCXXFPWPV-UHFFFAOYSA-N
-rxn:4:204109:226309,CCOC(=O)c1cc(C)cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,VJZSPCWQMJYXMP-UHFFFAOYSA-N
-rxn:4:204126:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Cl)c5C)CC4)cc3)cn2)CC1,FORXEXLAJSOJOF-UHFFFAOYSA-N
-rxn:4:204127:222851,CCc1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc(C2CCNCC2)n1,PGSOOEXVUZGPJL-UHFFFAOYSA-N
-rxn:4:204140:225376,CN1CCN(Cc2cc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)cc(C(C)(C)C)c2)CC1,IBVRBSPHHAVCKS-UHFFFAOYSA-N
-rxn:4:204150:222828,O=C(c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1)N1CCCN(C2CCSCC2)CC1,KFAMVDHAORRFBI-UHFFFAOYSA-N
-rxn:4:204161:222824,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)=NC23CCCC3)cc1,NMXFCYGIVFUUHC-UHFFFAOYSA-N
-rxn:4:204164:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1,LGRXQUXOIWKHKS-UHFFFAOYSA-N
-rxn:4:204164:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2)CC1,RLOGHPKKGXOQFU-UHFFFAOYSA-N
-rxn:4:204175:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1,RTQMYPXSQCXMQO-UHFFFAOYSA-N
-rxn:4:204416:224704,CC1CCN(c2cc(-c3cc4c(cc3[N+](=O)[O-])CCN(C(=O)C(F)(F)F)C4)cc(F)c2F)CC1,RXNFIEHXECSLEP-UHFFFAOYSA-N
-rxn:4:204417:223712,COc1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)cc1C12CC3CC(CC(C3)C1)C2,YCNMQGPXFWEJRG-UHFFFAOYSA-N
-rxn:4:204585:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cnc2c(c1)C(=O)CCN2C(=O)OC(C)(C)C,WMUXZWTYPWFDFF-UHFFFAOYSA-N
-rxn:4:204599:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,UIJZXWBGDXNVBP-UHFFFAOYSA-N
-rxn:4:204612:224485,COC(=O)c1nn(C2CCCCO2)c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc12,LIJYINSITHFVIT-UHFFFAOYSA-N
-rxn:4:204681:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,VNLNWMMLONCOJX-UHFFFAOYSA-N
-rxn:4:204681:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,AMQMBEFYVQRKGP-UHFFFAOYSA-N
-rxn:4:204700:225118,COC(=O)c1cc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)ccc1OC(C)C,HVGLAJQUAQUVBV-UHFFFAOYSA-N
-rxn:4:204715:223841,Cc1cc(F)c(-c2ccc(Cl)c(C(=O)N3CC(N4CCc5sccc5C4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,KTJNOEVSRPKSMR-UHFFFAOYSA-N
-rxn:4:204723:222904,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc1,UNALURAVDLAJFM-UHFFFAOYSA-N
-rxn:4:204723:223557,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,HBNABKYVPQEPCU-UHFFFAOYSA-N
-rxn:4:204723:227961,Cc1nc(C2CC2)ccc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,CQEKMKPNSCGCFW-UHFFFAOYSA-N
-rxn:4:204739:224334,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(-c5ccccc5C(F)(F)F)c4)cc32)SC1=S,MWHUAPXFEAVCJF-UHFFFAOYSA-N
-rxn:4:204752:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccccc3)cc2)cc1,CPKWEWBKIOBONI-UHFFFAOYSA-N
-rxn:4:204756:222500,O=C(NCc1ccc(F)cc1)c1ccc(F)c(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,PVGGZOKWGUKKJN-UHFFFAOYSA-N
-rxn:4:204791:225338,COc1ccccc1N1C(=O)N(c2cccc(-c3ccc(F)c(COCC(F)(F)F)c3)c2)C2CS(=O)(=O)CC21,TZIFSPRDDQNGOT-UHFFFAOYSA-N
-rxn:4:204798:224197,CCN1CCN(Cc2ccc(-c3cccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(F)cc54)c3)cc2F)CC1,SEIDQDFQVOLDTD-UHFFFAOYSA-N
-rxn:4:204799:226352,Cc1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)c(Cl)cc1OC(C)C,YBMWWLYUUGNGLA-UHFFFAOYSA-N
-rxn:4:204804:223935,CC(C)(C)OC(=O)n1c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc2cccc(F)c21,BNXPORVBLARDCR-UHFFFAOYSA-N
-rxn:4:204809:226567,COC(=O)C(=O)c1ccc(-c2cccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,OPVXFKNVHWYUIY-UHFFFAOYSA-N
-rxn:4:204813:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)C5CSC(c6ccc(C(C)C)cc6)N5C4=S)cc3)cn2)CC1,HFQRDMYRFKKTCE-UHFFFAOYSA-N
-rxn:4:204829:225717,COCCOCc1ccc(F)cc1-c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1C,WXEILLFRUAPLMW-UHFFFAOYSA-N
-rxn:4:204834:225849,O=C(C1=CN(c2cccc(-c3cnc(N4CCCCC4)cc3F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,AJIMLGQWCCZHAB-UHFFFAOYSA-N
-rxn:4:204835:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)c1,LBSAYTXAWSCIAW-UHFFFAOYSA-N
-rxn:4:204835:225859,O=C(C1=CN(c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,XQAWHLPPTHZXOC-UHFFFAOYSA-N
-rxn:4:204836:225833,O=C(C1=CN(c2cccc(-c3ccnc(N4CCCCC4)c3F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,DCATZIYKKFBUSY-UHFFFAOYSA-N
-rxn:4:204836:225849,O=C(C1=CN(c2cccc(-c3cnc(N4CCCCC4)cc3F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,VMZDWFPUGZJORU-UHFFFAOYSA-N
-rxn:4:204864:222935,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,NPAXDXZXYYEFSD-UHFFFAOYSA-N
-rxn:4:204865:225827,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccnc(N5CCN(C)CC5)c4)c3)c3ccccc3S2(=O)=O)CC1,SZQGBADVYNTRGZ-UHFFFAOYSA-N
-rxn:4:204866:225827,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)c3ccccc3S2(=O)=O)CC1,JEBFSEREVDOTPR-UHFFFAOYSA-N
-rxn:4:204870:225254,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(C(F)(F)F)c2cccnc12,ZNSHNYOGPIKFJF-UHFFFAOYSA-N
-rxn:4:204874:223812,O=C1C2C(c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,YFNUTNJQMAPVKY-UHFFFAOYSA-N
-rxn:4:204896:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c4c([nH]c3c2)CCN(C(=O)OC(C)(C)C)C4)c1,YUOMCCLSWOSYOK-UHFFFAOYSA-N
-rxn:4:205885:223787,CN1CCN(CCCOc2ccc(-c3ncc(C(=O)N4CCOCC4)s3)cc2F)CC1,ZGBHMKDRPQKPTA-UHFFFAOYSA-N
-rxn:4:206464:224498,CCN1CCN(Cc2ccccc2-c2cc(N3CCC(F)(F)C3)c([N+](=O)[O-])cc2F)CC1,JNTHIQJUIAEQFQ-UHFFFAOYSA-N
-rxn:4:206705:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCOCC4C)c3)ccc2OC)CC1,SSTLGYFZCMUXPX-UHFFFAOYSA-N
-rxn:4:206713:222584,CC(=O)N1CCOC(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,NKIVXEGEJRJDLW-UHFFFAOYSA-N
-rxn:4:206785:223842,COC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,DMKMPXKOGUIWAX-UHFFFAOYSA-N
-rxn:4:206854:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCC(C)C3)c(C#N)c2)CC1,OKGUCYHYANSLGA-UHFFFAOYSA-N
-rxn:4:206888:222465,Cc1nn(CC2CCOCC2)c(C)c1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NFXNNHVHRUCZRM-UHFFFAOYSA-N
-rxn:4:206948:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)n1,HWNXRTDJHHOFAF-UHFFFAOYSA-N
-rxn:4:206959:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(N2CCN(S(C)(=O)=O)CC2)c1,ZOVJQFKEUJVHLG-UHFFFAOYSA-N
-rxn:4:206978:224760,CC1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,PMCUGBUMVCYYTJ-UHFFFAOYSA-N
-rxn:4:206978:224761,CC1CCN(c2ncc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,OKGOOZQJZVFYEU-UHFFFAOYSA-N
-rxn:4:206981:224760,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1N1CCC(C(F)(F)F)CC1,LSJZPPASUUHHNV-UHFFFAOYSA-N
-rxn:4:206981:224761,Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,MGVTZWDWUPBQJA-UHFFFAOYSA-N
-rxn:4:207082:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(N3C(=O)CC(N4CCCCC4)C3=O)cc2)c1,LVIJLKZQHGGYGZ-UHFFFAOYSA-N
-rxn:4:207085:222442,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12,LYFKOIUUKIZTFF-UHFFFAOYSA-N
-rxn:4:207085:222856,COc1ccc(C2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C,JQOKROGSPLGWQP-UHFFFAOYSA-N
-rxn:4:207282:223497,COC(=O)c1nn2c(c1-c1ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc1)CCC2,BIPZHLKHASWTFN-UHFFFAOYSA-N
-rxn:4:207602:223500,CC(=O)c1sc2nc(-c3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)cn2c1C,HFRHNKQGQSZWQO-UHFFFAOYSA-N
-rxn:4:207611:223813,N#CC1=CN(c2ccccc2-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c2ccccc2S1(=O)=O,SYYALTGRACJMOD-UHFFFAOYSA-N
-rxn:4:207729:223748,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,WCURFHADKHTWMR-UHFFFAOYSA-N
-rxn:4:207736:222537,CN1C2CCC1CC(Oc1ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn1)C2,OPWZDFGBFSPLCF-UHFFFAOYSA-N
-rxn:4:207736:222694,CN1C2CCC1CC(Oc1ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn1)C2,ODODOVRNIZTPJH-UHFFFAOYSA-N
-rxn:4:207785:223748,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1,UXXBTCWHXAIRBT-UHFFFAOYSA-N
-rxn:4:207795:224818,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1)N1C2CCC1CC(=C1CC1)C2,SCMSVUJCUANHAF-UHFFFAOYSA-N
-rxn:4:207847:222511,Cc1ccc(N2C(=O)N(c3cccc(-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)c3)C3CS(=O)(=O)CC32)cc1,UNGHYYXZQVVQGR-UHFFFAOYSA-N
-rxn:4:207959:226177,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,KPGPIEGASDHHSM-UHFFFAOYSA-N
-rxn:4:209422:223687,CC1=CC(=O)N(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)C1=O,HJTOJJPKICMCJW-UHFFFAOYSA-N
-rxn:4:209871:222465,CN1CCN(c2cc(Cl)cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,HWKGMFCYJJGWQG-UHFFFAOYSA-N
-rxn:4:210681:223841,Cc1cc(F)c(-c2ccc(C3=CSC4=NCCN34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CDPWIGAJOXGADT-UHFFFAOYSA-N
-rxn:4:210784:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc([N+](=O)[O-])cc4c3CCN(C)C4)cc21,POBKPWUGYNZPPC-UHFFFAOYSA-N
-rxn:4:210920:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncn(C5CCOCC5)c4c3)cc2[N+](=O)[O-])CC1,IBRXVHHGSBUNFV-UHFFFAOYSA-N
-rxn:4:211059:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)CS(=O)(=O)C45C(=O)N(C)c4ccccc45)cc3)cn2)CC1,WOVBNPSHQOXADR-UHFFFAOYSA-N
-rxn:4:212568:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)cc1,MJRXBYPHXKOYOC-UHFFFAOYSA-N
-rxn:4:212568:222570,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1,OKOXMOXBIPLPAL-UHFFFAOYSA-N
-rxn:4:212568:222595,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1,NNXAVZCSGZHZHB-UHFFFAOYSA-N
-rxn:4:212568:222596,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1,MCWGSWQDRHZHQC-UHFFFAOYSA-N
-rxn:4:212568:222658,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cc1,KMFLRSJLOJZODT-UHFFFAOYSA-N
-rxn:4:212568:222730,CCCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C2CCNCC2)n1,AYQUPXHCRZALTL-UHFFFAOYSA-N
-rxn:4:212568:222784,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,KVGFUOBDDGSFJB-UHFFFAOYSA-N
-rxn:4:212568:222808,CC(C)NC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc([N+](=O)[O-])c1,DYOOVOTXXAXNAF-UHFFFAOYSA-N
-rxn:4:212568:222811,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)n1,KESQPOONQRDRBZ-UHFFFAOYSA-N
-rxn:4:212568:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,JUSIKHCMKXYNII-UHFFFAOYSA-N
-rxn:4:212568:222923,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)NC1CC1,FEZWTMKCWOBIKX-UHFFFAOYSA-N
-rxn:4:212568:222993,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(N3CCCCC3O)c2)cc1,XQYGGMQNSDHBPB-UHFFFAOYSA-N
-rxn:4:212568:222998,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1,OLCGJZNIXDIKNT-UHFFFAOYSA-N
-rxn:4:212568:223009,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cc(C3CCNCC3)c2)cc1,LPFKCONCQLUAJD-UHFFFAOYSA-N
-rxn:4:212568:223020,N#CCCNC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,ZDYWVGWGQPDKGH-UHFFFAOYSA-N
-rxn:4:212568:223035,CC(C)(C)C(=O)Nc1ncccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GCVCRFQLCHMFDL-UHFFFAOYSA-N
-rxn:4:212568:223049,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NC3CC3)cc2F)cc1,YYSLYTFDYUGGQO-UHFFFAOYSA-N
-rxn:4:212568:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NUAXSPRBXSLVKT-UHFFFAOYSA-N
-rxn:4:212568:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NVEOLQWBNCTRNF-UHFFFAOYSA-N
-rxn:4:212568:223269,CC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,GAAOZYQVXCLLEO-UHFFFAOYSA-N
-rxn:4:212568:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc(F)c2F)CC1,LPRJWGANFFCPTK-UHFFFAOYSA-N
-rxn:4:212568:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JRUVDDSNGSZNQU-UHFFFAOYSA-N
-rxn:4:212568:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,YHQVMBFWBLKNJX-UHFFFAOYSA-N
-rxn:4:212568:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2OC)CC1,PYGTVEPFPSZXMR-UHFFFAOYSA-N
-rxn:4:212568:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,FLWPUJOHTMMZKT-UHFFFAOYSA-N
-rxn:4:212568:223768,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c2ccc(C#N)cc21,LYPNNFNDGPRGII-UHFFFAOYSA-N
-rxn:4:212568:223773,COc1cccc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)n(C(=O)OC(C)(C)C)c12,YBJIOSKJRSQYDD-UHFFFAOYSA-N
-rxn:4:212568:223799,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)cc1,RTCHZKYLJKOGRE-UHFFFAOYSA-N
-rxn:4:212568:223834,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NHPZYDNLCWMIEN-UHFFFAOYSA-N
-rxn:4:212568:223835,Cc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCC(C)CC1,FREMVGVBXWUJLE-UHFFFAOYSA-N
-rxn:4:212568:223864,CC(C)c1cc(OCc2ccccc2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CDUCLFNEZIPHKD-UHFFFAOYSA-N
-rxn:4:212568:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,FDSSHXCDPKDTBQ-UHFFFAOYSA-N
-rxn:4:212568:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,SJPYBPPCDNOVEO-UHFFFAOYSA-N
-rxn:4:212568:223976,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1,BNZBGLHMJGZBOC-UHFFFAOYSA-N
-rxn:4:212568:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2C1,BKLXPTXAKLDKGN-UHFFFAOYSA-N
-rxn:4:212568:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,RHBHDLHBPJSIEU-UHFFFAOYSA-N
-rxn:4:212568:224271,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cccnc21,NSMOFWKFPCRHAF-UHFFFAOYSA-N
-rxn:4:212568:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc21,HJTTXIYTEYDFLR-UHFFFAOYSA-N
-rxn:4:212568:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,IZZQTJJAIWNJBY-UHFFFAOYSA-N
-rxn:4:212568:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1Cl,MTWFNPVYBZCJHW-UHFFFAOYSA-N
-rxn:4:212568:224318,CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,GWCGBCNBYZGVTO-UHFFFAOYSA-N
-rxn:4:212568:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1Cl,MPZQSOGHHRFKLZ-UHFFFAOYSA-N
-rxn:4:212568:224412,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1,GIFFYKQIRDUIKU-UHFFFAOYSA-N
-rxn:4:212568:224490,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)cc1,FBJCBOKJEUQTTA-UHFFFAOYSA-N
-rxn:4:212568:224572,CC1CCCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C#N)c2)C1,RBOGDKGJCVUTMV-UHFFFAOYSA-N
-rxn:4:212568:224575,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C#N)c2)CC1,QIKWQTBYXIUJCD-UHFFFAOYSA-N
-rxn:4:212568:224591,CC1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2Cl)CC1,NVTXPHRPZGRCQJ-UHFFFAOYSA-N
-rxn:4:212568:224593,CC1CCN(Cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)CC1,UGBPIGWFQXTQKB-UHFFFAOYSA-N
-rxn:4:212568:224599,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)cc1,RRMXDUPOWZSRCQ-UHFFFAOYSA-N
-rxn:4:212568:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,KAOJFTXJALLTRG-UHFFFAOYSA-N
-rxn:4:212568:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,IDTBXYXBDFBHIY-UHFFFAOYSA-N
-rxn:4:212568:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,HGHKOHLLZZMPQA-UHFFFAOYSA-N
-rxn:4:212568:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,FPGVIZYYVTVFBH-UHFFFAOYSA-N
-rxn:4:212568:224677,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1,HMIKNKIEYOPMQZ-UHFFFAOYSA-N
-rxn:4:212568:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C2CC2)n1,NNHGZEDFGWXWIG-UHFFFAOYSA-N
-rxn:4:212568:224745,CC(C)(C)OC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1Cl,RQNHNTXXSOLZOL-UHFFFAOYSA-N
-rxn:4:212568:224767,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)cc1,FPSPAFOJALMLKY-UHFFFAOYSA-N
-rxn:4:212568:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,VFIRSSGJQYCWLC-UHFFFAOYSA-N
-rxn:4:212568:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XQHBEJHDIPTOHJ-UHFFFAOYSA-N
-rxn:4:212568:224790,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1OC(F)(F)F,NUOKJFPCMWMKBK-UHFFFAOYSA-N
-rxn:4:212568:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DVBUDHYNKMAARJ-UHFFFAOYSA-N
-rxn:4:212568:224829,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(F)(F)F,HXRPTNWRHODONN-UHFFFAOYSA-N
-rxn:4:212568:224953,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC3CCCCC3)nc2)cc1,XUVQCYAFUAYDBQ-UHFFFAOYSA-N
-rxn:4:212568:224974,CN1CCN(Cc2ccccc2-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)CC1,AHKCHFCMFDIIBH-UHFFFAOYSA-N
-rxn:4:212568:225126,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)ccc2OCC2CCCO2)cc1,YPLKRODRHYFQKS-UHFFFAOYSA-N
-rxn:4:212568:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,HVRUBAZWXIVIRG-UHFFFAOYSA-N
-rxn:4:212568:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JKIZYFDCKJRDAX-UHFFFAOYSA-N
-rxn:4:212568:225283,CCC(C)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1C(F)(F)F,YRAAGXLDJMPYKY-UHFFFAOYSA-N
-rxn:4:212568:225377,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1,DNFYJLDRYPJOCQ-UHFFFAOYSA-N
-rxn:4:212568:225452,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3C=CCCC3)cc2)cc1,NLFRECVVCLWCEJ-UHFFFAOYSA-N
-rxn:4:212568:225566,CC1(COc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)COC1,NRVSWLQGPGJBKQ-UHFFFAOYSA-N
-rxn:4:212568:225634,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1N1CCCCC1,RCXRCOHMEZZHBC-UHFFFAOYSA-N
-rxn:4:212568:225636,CC1CCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccn2)CC1,BVOPNXRFOAHKTM-UHFFFAOYSA-N
-rxn:4:212568:225638,CC1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,XEWZWBNSLONBCW-UHFFFAOYSA-N
-rxn:4:212568:225652,CC1CCCN(c2cncc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)C1,POFYWSUFJOKQFS-UHFFFAOYSA-N
-rxn:4:212568:225674,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1,YZOWGTWCFDTYHV-UHFFFAOYSA-N
-rxn:4:212568:225679,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1,VXCFRPCSSDKVGZ-UHFFFAOYSA-N
-rxn:4:212568:225716,COCCOCc1cc(F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YBBMQMQRUJUSGT-UHFFFAOYSA-N
-rxn:4:212568:225724,CN(C)CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,XNGSLZJKZDKAHC-UHFFFAOYSA-N
-rxn:4:212568:225756,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(C)C)cn1,LAUXNZRYZJWRCL-UHFFFAOYSA-N
-rxn:4:212568:225757,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(C)C)n1,UFLISPXBXCFYIY-UHFFFAOYSA-N
-rxn:4:212568:225883,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCOCC3)c(Cl)c2)cc1,XMYCINNNXGTJPH-UHFFFAOYSA-N
-rxn:4:212568:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XREXLWUXZFYAJR-UHFFFAOYSA-N
-rxn:4:212568:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AHBMOCBVRMVXBA-UHFFFAOYSA-N
-rxn:4:212568:225913,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,ZSEWMXNKMRPOQL-UHFFFAOYSA-N
-rxn:4:212568:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,KHSIXGZZTOUVQQ-UHFFFAOYSA-N
-rxn:4:212568:226020,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)C(F)F)cc2)cc1,BLRAEVDHBOHSLW-UHFFFAOYSA-N
-rxn:4:212568:226022,COc1cccc(OC(F)(F)F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ROYKYFUYTATFIZ-UHFFFAOYSA-N
-rxn:4:212568:226089,CCN(CC)Cc1ccccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AIDDANRFSFPJKM-UHFFFAOYSA-N
-rxn:4:212568:226146,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(SC3CCCC3)cc2)cc1,VPUPPOZYBSFQDY-UHFFFAOYSA-N
-rxn:4:212568:226150,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(SC3CCCC3)c2)cc1,UCYYKUNNZDUBPV-UHFFFAOYSA-N
-rxn:4:212568:226158,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2N2CCCCC2)cc1,YBFJTXJGHJWIBB-UHFFFAOYSA-N
-rxn:4:212568:226183,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1,FRHRMQLJDIAKDF-UHFFFAOYSA-N
-rxn:4:212568:226275,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1OCC(C)C,DUCLXZFYIOHVOU-UHFFFAOYSA-N
-rxn:4:212568:226284,CC(C)COc1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,YMCASDBOBRKVHK-UHFFFAOYSA-N
-rxn:4:212568:226294,COc1cc(OC(C)C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SSCCWBMJKKGBFH-UHFFFAOYSA-N
-rxn:4:212568:226325,CC(C)(C#N)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,WIUJEPOUNMXRFV-UHFFFAOYSA-N
-rxn:4:212568:226348,CC(C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c1,FFRVMQTYYGIVJV-UHFFFAOYSA-N
-rxn:4:212568:226354,COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c(C2CC2)c1,GAXJBCNGPBRXFY-UHFFFAOYSA-N
-rxn:4:212568:226427,CC1CCN(c2csc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,KZHWUVBVCPQYRA-UHFFFAOYSA-N
-rxn:4:212568:226475,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OCC)n1,WKFVVIIDJIJECP-UHFFFAOYSA-N
-rxn:4:212568:226489,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCF)c(Cl)c2)cc1,SWMIKTJRAJFCSF-UHFFFAOYSA-N
-rxn:4:212568:226490,COCCOc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DIIZRZCMQVDGTG-UHFFFAOYSA-N
-rxn:4:212568:226562,CCOc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC,PDSLLPCBXQWJSH-UHFFFAOYSA-N
-rxn:4:212568:226592,CC(C)Oc1cc(F)c(F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,AMXCEHGIXOSZTL-UHFFFAOYSA-N
-rxn:4:212568:226594,CC(C)Oc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,ZDGRIVQJLYAXBO-UHFFFAOYSA-N
-rxn:4:212568:226606,CC(C)Oc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,GKTWFTWQYLPXOX-UHFFFAOYSA-N
-rxn:4:212568:226619,Cc1nc(N2CCCC2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,LCKQHSAPJCTMMC-UHFFFAOYSA-N
-rxn:4:212568:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FGUPQJQDZBDODH-UHFFFAOYSA-N
-rxn:4:212568:226742,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#N)cc2C(F)(F)F)cc1,QEMFLQZSXCINRT-UHFFFAOYSA-N
-rxn:4:212568:226761,CSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,NNENBCLIMVWBCS-UHFFFAOYSA-N
-rxn:4:212568:226765,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1F,RFAZJGDMSIOLMP-UHFFFAOYSA-N
-rxn:4:212568:226770,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1Cl,KGSXWMKRXNIJRX-UHFFFAOYSA-N
-rxn:4:212568:226773,COC(=O)c1c(Cl)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,LCGIAIQOUWFOGL-UHFFFAOYSA-N
-rxn:4:212568:226829,Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,PCRAHVBWEDPTJK-UHFFFAOYSA-N
-rxn:4:212568:226865,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(OC(F)(F)F)c2)cc1,LUWXUHUFSUVUFQ-UHFFFAOYSA-N
-rxn:4:212568:226900,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,NYDOMLHXOPURGB-UHFFFAOYSA-N
-rxn:4:212568:226999,CCCC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,YKZNZAXFIJFMDC-UHFFFAOYSA-N
-rxn:4:212568:227006,CC(C)COc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,HSALYFNNNUGBDX-UHFFFAOYSA-N
-rxn:4:212568:227079,CC(C)Cc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AKFSSOIIJROZJQ-UHFFFAOYSA-N
-rxn:4:212568:227095,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC(=O)C3)cc2)cc1,PEJPEMZVXLSSFE-UHFFFAOYSA-N
-rxn:4:212568:227120,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCC3)cc2F)cc1,HOXGSUCRECQUAO-UHFFFAOYSA-N
-rxn:4:212568:227219,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCCF)cc2)cc1,SJCIAOVKSYQBKP-UHFFFAOYSA-N
-rxn:4:212568:227230,CCCOc1ncc(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,RZXUNXARQJYXKW-UHFFFAOYSA-N
-rxn:4:212568:227259,COc1ccc(CSC)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MODIKNFMSUTVKX-UHFFFAOYSA-N
-rxn:4:212568:227324,CC(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cnc1Cl,FWODCUPXQFFKBS-UHFFFAOYSA-N
-rxn:4:212568:227340,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C,UKPASNFJBNKQPD-UHFFFAOYSA-N
-rxn:4:212568:227363,CC(C)Oc1c(F)cccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WNVHZRCJMOVIFI-UHFFFAOYSA-N
-rxn:4:212568:227365,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C)c1F,OMNIVALGKKPXLU-UHFFFAOYSA-N
-rxn:4:212568:227476,CCOC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,HRAAEWDMLMZMLG-UHFFFAOYSA-N
-rxn:4:212568:227489,CN(C)c1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,CWUSEEVLMOFIBG-UHFFFAOYSA-N
-rxn:4:212568:227496,CCN(C)c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,BBSNOTAPIIHFKW-UHFFFAOYSA-N
-rxn:4:212568:227525,CCc1cnc(C(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,XGEJPNHODDQINV-UHFFFAOYSA-N
-rxn:4:212568:227526,COC(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,XSAYWKBLZQZBKK-UHFFFAOYSA-N
-rxn:4:212568:227532,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1F,ZGRDXEBBZXINSF-UHFFFAOYSA-N
-rxn:4:212568:227536,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1F,FZNYPASEJGGBIE-UHFFFAOYSA-N
-rxn:4:212568:227552,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CC(F)(F)F)cc1,SMKJOMYYURVRPD-UHFFFAOYSA-N
-rxn:4:212568:227611,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnn2C2CCCCO2)cc1,BBWUXOLUDPZFFM-UHFFFAOYSA-N
-rxn:4:212568:227625,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCO3)nc2)cc1,WBYLECOQYLVWMU-UHFFFAOYSA-N
-rxn:4:212568:227628,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCC3)nc2Cl)cc1,ZDATVPYJRWFAEW-UHFFFAOYSA-N
-rxn:4:212568:227659,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cccc1C(F)(F)F,HIDKPNJHWXHNMZ-UHFFFAOYSA-N
-rxn:4:212568:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NSVDYSPHCGFLQJ-UHFFFAOYSA-N
-rxn:4:212568:227683,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1,VLNLGUAVYSXDOP-UHFFFAOYSA-N
-rxn:4:212568:227708,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1,LYRTWGYDWYSZIU-UHFFFAOYSA-N
-rxn:4:212568:227710,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,JVRFEDDANAMOLS-UHFFFAOYSA-N
-rxn:4:212568:227718,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2F)cc1,JNYFPUFLXLFJLO-UHFFFAOYSA-N
-rxn:4:212568:227795,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2F)cc1,TXUZHKGKMOIDMJ-UHFFFAOYSA-N
-rxn:4:212568:228200,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnn2C2CCCC2)cc1,ZSRKAFPYSQUPDB-UHFFFAOYSA-N
-rxn:4:212568:228467,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)s1,NFALMQHWUYGMHL-UHFFFAOYSA-N
-rxn:4:212568:228497,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnn2CC(F)(F)F)cc1,ZHTGRKHYRAVHRX-UHFFFAOYSA-N
-rxn:4:212593:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1OC,NETMUZRXSFWYNJ-UHFFFAOYSA-N
-rxn:4:212622:223812,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UGBZFHFVMDOADG-UHFFFAOYSA-N
-rxn:4:212631:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc1,XCLFQJXKTDTSOK-UHFFFAOYSA-N
-rxn:4:212631:226423,O=C(c1cncc(-c2ccc(Cl)c(N3CCCC3)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,UANCTHLLMTZCDQ-UHFFFAOYSA-N
-rxn:4:212639:223937,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,MNOHZZIZCFCASN-UHFFFAOYSA-N
-rxn:4:212648:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,LGXPCEWYBQPNBB-UHFFFAOYSA-N
-rxn:4:212649:226496,CCN(CC)c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,JYTVOKHJWKNXNX-UHFFFAOYSA-N
-rxn:4:212656:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,UESUGCHSOUZSDZ-UHFFFAOYSA-N
-rxn:4:212661:224737,COc1ccc(CN2CCC(COc3ncc(-c4ccc(OCC(C)C)cc4C(F)(F)F)cn3)CC2)cc1,OTHDULFQIZRYFF-UHFFFAOYSA-N
-rxn:4:212675:226844,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],GSHGMCWZBSEXGB-UHFFFAOYSA-N
-rxn:4:212680:224683,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(F)cc(C(=O)N4CCCCC4)c3)CC2)nn1,JXYFRUZUVHZVGP-UHFFFAOYSA-N
-rxn:4:212693:223509,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1,SCVFYNMOUCQAAR-UHFFFAOYSA-N
-rxn:4:212694:229175,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccnc(Cl)c3F)CC2)C1=O,DOLGVTMVUIIQBH-UHFFFAOYSA-N
-rxn:4:212711:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)c2)CC1,BTNDHYZOGIQSNZ-UHFFFAOYSA-N
-rxn:4:212774:223992,Cc1ccc(-c2ccccc2C(=O)N(CCN(C)C)c2nc3c(Cl)cccc3s2)cc1S(=O)(=O)N1CCN(C)CC1,ZOILTOIXFLJCTE-UHFFFAOYSA-N
-rxn:4:212814:227186,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc3cccnc3c2F)C1(C)C,KYEJNNANWVVXNO-UHFFFAOYSA-N
-rxn:4:212923:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,BXFBRADDPJBNST-UHFFFAOYSA-N
-rxn:4:212962:223712,COc1cccc(CN2CC(Cn3cc(-c4ccc(OC)c(C56CC7CC(CC(C7)C5)C6)c4)cn3)C2)c1,FOQSEXSLILKYSE-UHFFFAOYSA-N
-rxn:4:212970:222787,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(NC(=O)OC(C)(C)C)cc1Cl,IOVCKNSKXBVJDY-UHFFFAOYSA-N
-rxn:4:212973:227509,CC(C)Oc1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cnc1F,VBDRTGGXBMTPFV-UHFFFAOYSA-N
-rxn:4:212984:223754,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)C3)cc2Cl)CC1,KVGDLBOPFBEYDP-UHFFFAOYSA-N
-rxn:4:212988:224273,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)n2)CC1,IAQXVYFWTISJRU-UHFFFAOYSA-N
-rxn:4:212988:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,WWBLFJNFHNPYGF-UHFFFAOYSA-N
-rxn:4:213011:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)cc1,UVDVMFMRZWOHCP-UHFFFAOYSA-N
-rxn:4:213013:225875,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,PIQYDZKJDAYFSV-UHFFFAOYSA-N
-rxn:4:213038:222930,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)c[nH]2)CC1,KMQMMSYPDPTCQP-UHFFFAOYSA-N
-rxn:4:213072:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,JOAJVDHWIWOWFW-UHFFFAOYSA-N
-rxn:4:213073:225329,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc(OCC(F)(F)F)c(C#N)c2)CC1,OUNIKXHGPQAHBP-UHFFFAOYSA-N
-rxn:4:213080:224279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,XWMJKCBWVZDKDI-UHFFFAOYSA-N
-rxn:4:213105:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1,PUTIYRSXMIEMOQ-UHFFFAOYSA-N
-rxn:4:213116:222630,O=S(=O)(c1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)C1,FYHJXQGZIAUURH-UHFFFAOYSA-N
-rxn:4:213116:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc3)cn2)CC1,TWWMDUDPSZZOTB-UHFFFAOYSA-N
-rxn:4:213131:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1F,NVYQWADESBEJGX-UHFFFAOYSA-N
-rxn:4:213132:225875,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,MMSYHMSGRLIDHO-UHFFFAOYSA-N
-rxn:4:213134:222541,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,BSDVPXDOAOCJLM-UHFFFAOYSA-N
-rxn:4:213143:227467,COCCOc1cnccc1-c1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NZJTVWPKDBAOFV-UHFFFAOYSA-N
-rxn:4:213162:224286,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)CC2)cc1F,PWLJPZSPZLYQDD-UHFFFAOYSA-N
-rxn:4:213187:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)o2)CC1,JRVSXEQWUOZTLX-UHFFFAOYSA-N
-rxn:4:213203:222628,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)nn1,NWCSBLBQAFBWLA-UHFFFAOYSA-N
-rxn:4:213213:223020,CN(c1cccc(-c2ccc(C(=O)NCCC#N)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,YJQIWVHVVZRVOM-UHFFFAOYSA-N
-rxn:4:213213:223257,CONC(=O)c1ccc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,OGTJCOKUXTYRSI-UHFFFAOYSA-N
-rxn:4:213213:225227,CC1CCN(c2ncc(-c3cccc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2Cl)CC1,FMYCKTJRQQHRDX-UHFFFAOYSA-N
-rxn:4:213213:226720,COC(=O)c1cc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)cn1,MYGUPNHRBDWZAJ-UHFFFAOYSA-N
-rxn:4:213213:227505,CN(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,RHLMHBBVQCCXDC-SFQUDFHCSA-N
-rxn:4:213213:227694,COC(=O)c1cc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(Cl)n1,DJULJMBHUGVHGV-UHFFFAOYSA-N
-rxn:4:213220:225138,CC1CN(c2ccc(-c3ccn(-c4ccnc(C5CC5)c4)n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BWPFLHNCRPPSDL-UHFFFAOYSA-N
-rxn:4:213273:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1,LDDZYILXVBTYJM-UHFFFAOYSA-N
-rxn:4:213280:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c(N2CCCCC2)c1,SBTGRCFOJRUZHP-UHFFFAOYSA-N
-rxn:4:213281:226933,Cc1c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cnc2ccccc12,YOLYQENMQPPNQL-UHFFFAOYSA-N
-rxn:4:213315:222623,C#CCn1c(=NC(=O)c2ccc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,RJIUXQKZZSBXBB-UHFFFAOYSA-N
-rxn:4:213320:226092,CCCCOc1ccc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)c(C)c1,PKFDECASHHPHGL-UHFFFAOYSA-N
-rxn:4:213337:224459,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)cc3s2)CC1,ZTTADTNXFZTWFE-UHFFFAOYSA-N
-rxn:4:213383:224746,CCOc1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(N6CCN(C(C)=O)CC6)nc5)cc4s3)CC2)cc1,WEOGDAPGLLWIHC-UHFFFAOYSA-N
-rxn:4:213407:222935,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)cc4s3)CC2)cc1,ZXRBDCCEOGMILY-UHFFFAOYSA-N
-rxn:4:213428:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)cc1,LJGYTICDBKGZPB-YBJSGSKQSA-N
-rxn:4:213471:224612,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,LXIDNIPGCQQMNW-UHFFFAOYSA-N
-rxn:4:213480:226144,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C#C[Si](C)(C)C)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YJOMUGSNDYGMQD-UHDFPJTPSA-N
-rxn:4:213653:222693,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1)N1CC(CN2C(=O)COC2=O)C1,QSVGQWBATZTGIT-UHFFFAOYSA-N
-rxn:4:213658:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cc1,ZXOGDONQELFBFB-UHFFFAOYSA-N
-rxn:4:213665:224502,CCOC(=O)N1CCN(c2ncccc2-c2cccc(OCC3CCCCN3C)c2)CC1,RGTOFQGRULZMLB-UHFFFAOYSA-N
-rxn:4:213672:222602,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)CC1,RQTPQVLTMFXDEZ-UHFFFAOYSA-N
-rxn:4:213693:224718,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(OCCN3CCOCC3)nc2)cn1,HEBBRTAQQCAHGM-UHFFFAOYSA-N
-rxn:4:213713:224777,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)[nH]1,QOBWWRKMQKRIKR-SFHVURJKSA-N
-rxn:4:213737:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)cc2)CC1,JUZOJDMIPSGYMC-UHFFFAOYSA-N
-rxn:4:213757:223054,CC(c1ccc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)C3)n2)s1)N1CCC(O)C1,GWIZRGRBJDUBDJ-UHFFFAOYSA-N
-rxn:4:213767:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c1,MIRJJUKXAVIYRL-UHFFFAOYSA-N
-rxn:4:213768:225165,COc1cc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)ccc1N1CCOCC1,AOMWAJMCCLEAIY-UHFFFAOYSA-N
-rxn:4:213798:223508,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,MVQRCXVAHZBSJV-UHFFFAOYSA-N
-rxn:4:213801:225172,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(CN4CCOCC4)ccc3F)n2)C1,DWJHPVQFXBPFMU-UHFFFAOYSA-N
-rxn:4:213801:225877,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(Cl)cc3N3CCOCC3)n2)C1,FNYUEZRRZLAKIW-UHFFFAOYSA-N
-rxn:4:213816:223698,O=C(c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1)N1CCCC(Oc2ncccn2)C1,TXSVEHQJUSGXIN-UHFFFAOYSA-N
-rxn:4:213863:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,JJSFFUIPEUTFQP-UHFFFAOYSA-N
-rxn:4:213878:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c2)cc1,QFEIJAXCYQAWJC-UHFFFAOYSA-N
-rxn:4:213878:224286,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)C2)C1,QDSNKHISIVDZJU-UHFFFAOYSA-N
-rxn:4:213888:223931,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2)C1,GQEJKFLMVDXPRR-UHFFFAOYSA-N
-rxn:4:213893:224759,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,NGQOXWRLKIFMLA-UHFFFAOYSA-N
-rxn:4:213898:225172,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,GBAAALDJFCTUGX-UHFFFAOYSA-N
-rxn:4:213932:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,JUFCMUVEWHCKPK-UHFFFAOYSA-N
-rxn:4:213933:227018,CC(C)(C#N)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1,HZVHXYMOVLLGCZ-UHFFFAOYSA-N
-rxn:4:213933:227019,CC(C)(C#N)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,WEJLYZXTSBURAF-UHFFFAOYSA-N
-rxn:4:213946:223182,CCNS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,QHLKSTQGJAICHD-UHFFFAOYSA-N
-rxn:4:213954:222799,Cc1cc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)ccc1S(=O)(=O)NC(C)(C)C,LVMJFMBLDIJJAV-UHFFFAOYSA-N
-rxn:4:213971:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)cc1,XDOQDORRDKRGSK-UHFFFAOYSA-N
-rxn:4:213984:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,HALMHZPGJOBMQI-UHFFFAOYSA-N
-rxn:4:213998:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,LHVNTUCAXODHCN-UHFFFAOYSA-N
-rxn:4:214006:222542,COc1ccc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c(C(=O)N2CCCC(c3cnn(C)c3)C2)c1,ZRLQYBWKVNWPIJ-UHFFFAOYSA-N
-rxn:4:214012:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1,OYPQMNCRSWILPU-UHFFFAOYSA-N
-rxn:4:214012:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1,GUOAIYWLAACVOP-UHFFFAOYSA-N
-rxn:4:214037:222629,CC(C)(C)c1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)cc(C2CCCNC2)n1,LQQBFQSTBHNMEE-UHFFFAOYSA-N
-rxn:4:214037:224531,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccccc4COc4cccc(Cl)c4)cc3)C2)CC1,UPZSKUNHWXHNEV-UHFFFAOYSA-N
-rxn:4:214038:224321,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cc1C,SEZYADCBHHRNFU-UHFFFAOYSA-N
-rxn:4:214046:223183,CNS(=O)(=O)c1ccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c(C)c1,FEQHHLCHMUZCFP-ZWKOTPCHSA-N
-rxn:4:214047:222612,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,NJLNWRDUKWGELN-UHFFFAOYSA-N
-rxn:4:214064:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1,SKMAQKPYXQPZQZ-UHFFFAOYSA-N
-rxn:4:214064:228140,CC(c1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)s1)N(C)C,MACXCTUEQOTOSI-UHFFFAOYSA-N
-rxn:4:214074:223294,Cc1nn(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,KYIHQKHENOCGRL-UHFFFAOYSA-N
-rxn:4:214097:223573,COCCn1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2cc([N+](=O)[O-])ccc21,BJCRTLVXTCJHPU-UHFFFAOYSA-N
-rxn:4:214235:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(CC(=O)N4C5CCC4CC(n4ccnc4)C5)cc3)cc12,OQYLILOEBZUUSG-UHFFFAOYSA-N
-rxn:4:214254:223928,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cnc21,PTTLFEIXQUQTFP-UHFFFAOYSA-N
-rxn:4:214276:222826,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cnc3[nH]2)CC1,IXUZSAYXDLRCDP-UHFFFAOYSA-N
-rxn:4:214294:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C5Cc6ccccc6C5)C4)nc3)cn2)CC1,YNBOQUFIZQYQJY-UHFFFAOYSA-N
-rxn:4:214298:225310,CC(C)c1sc(-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)nc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1,GINBTKDEEDBUQN-UHFFFAOYSA-N
-rxn:4:214308:224683,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)ccc21,FRTCOZYEMUNAEA-UHFFFAOYSA-N
-rxn:4:214342:222935,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)c2ccccc2n1,BXZALSLIDJGSAO-UHFFFAOYSA-N
-rxn:4:214349:226475,CCOc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)c(OCC)n1,YDDVNBQGWYWBAX-UHFFFAOYSA-N
-rxn:4:214391:222935,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,GNKQNKSSPDYNGM-UHFFFAOYSA-N
-rxn:4:214525:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)cc3)cc12,SPEZHMKQPCWXCT-UHFFFAOYSA-N
-rxn:4:214583:223606,Cc1nn(CC(=O)N(C)C)c(C)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,ZXVFDGZUFZZSTB-UHFFFAOYSA-N
-rxn:4:214597:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CCC(c5ncon5)C4)o3)cc2C)CC1,SEWLWBUSLXIMNV-UHFFFAOYSA-N
-rxn:4:214654:222645,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,OBZJWUHOIUUJDL-UHFFFAOYSA-N
-rxn:4:214662:223945,Cn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1-c1ccc(OCCCN2CCOCC2)c(F)c1,ZLVPIEZJEXTXPC-UHFFFAOYSA-N
-rxn:4:214662:225518,CCCCCOc1ncc(C)cc1-c1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1C,GYIKEQNXTMFGIU-UHFFFAOYSA-N
-rxn:4:214698:223838,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,MNQBRZWEKNRVEE-UHFFFAOYSA-N
-rxn:4:214706:223970,Cc1ccc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCC(C)CC1,OUVZHSJELDCDPE-UHFFFAOYSA-N
-rxn:4:214731:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)c1,XKKUJDRUXDRLIF-UHFFFAOYSA-N
-rxn:4:214747:224193,CCN1CCN(Cc2cc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)ccc2F)CC1,UMLAYRDEDDSLMO-UHFFFAOYSA-N
-rxn:4:214752:223699,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)n2)CC1,URGZTSKUPDVJLK-UHFFFAOYSA-N
-rxn:4:214773:222819,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(NC(=O)N4CCOCC4)nc3)c2)CC1,WAEUNDPGIMPRKR-UHFFFAOYSA-N
-rxn:4:214820:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c(Cl)c2)CC1,BTRVJKZPEKXKHU-UHFFFAOYSA-N
-rxn:4:214835:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,OXFUDQRBAWZVQX-UHFFFAOYSA-N
-rxn:4:214835:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CAIFREPDCVHSSG-UHFFFAOYSA-N
-rxn:4:214836:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,KWKHXKHYPCJCMK-UHFFFAOYSA-N
-rxn:4:214836:225313,CN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,HCXNWCALPKGMOA-UHFFFAOYSA-N
-rxn:4:214838:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,VRPWYUYJNGDLEN-UHFFFAOYSA-N
-rxn:4:214838:225088,COc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1OCCN(C)C,OOSKUOVTYXXETF-UHFFFAOYSA-N
-rxn:4:214854:225810,COc1ccc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(C2OCCO2)c1,ULYOBSDALLDJJT-UHFFFAOYSA-N
-rxn:4:214866:222584,O=C(C1CCCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1)N1CCOCC1,QPDUELTWDIJCJI-UHFFFAOYSA-N
-rxn:4:214870:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,PYXKOPWOISUNNM-UHFFFAOYSA-N
-rxn:4:214872:226246,CCCCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1F,ZIJSLPCJMDWCPJ-UHFFFAOYSA-N
-rxn:4:214873:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HSIKIZFLILYTJM-UHFFFAOYSA-N
-rxn:4:214875:224718,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)C1)N1CCSCC1,MPCYYPOUNHACFL-UHFFFAOYSA-N
-rxn:4:214896:224440,Cc1cc(OCc2ccccc2)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)c1,QJEXAXXOCBBQMI-UHFFFAOYSA-N
-rxn:4:215077:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCn4nc(C5CC5)cc4C3)o2)CC1,IKCYPFNAUZZNQT-UHFFFAOYSA-N
-rxn:4:215103:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1,LCNNBMFZBVGKMP-UHFFFAOYSA-N
-rxn:4:215105:222829,CNS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)c(C(F)(F)F)c1,WUWKVGRPNHVATH-UHFFFAOYSA-N
-rxn:4:215170:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,LHKCSXMXJWSJHU-UHFFFAOYSA-N
-rxn:4:215170:225532,CCN(CC)Cc1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(F)c1,AOAOSDBYQRRXDW-UHFFFAOYSA-N
-rxn:4:215170:227297,CN(C)Cc1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,PSRBUSUFXPGZRH-UHFFFAOYSA-N
-rxn:4:215226:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3OC4C(=O)N(c5ccccc5)C(=O)C4C3c3cccnc3)cc2)c1,KHVZZNNKZXGMCI-UHFFFAOYSA-N
-rxn:4:215233:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)cn2)CC1,CYQFKMMVARDKQD-UHFFFAOYSA-N
-rxn:4:215299:223009,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cc(C5CCNCC5)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,NWCMGJAQIRXHGW-UHFFFAOYSA-N
-rxn:4:215818:223784,CCN1CCN(CCOc2ccc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cc2F)CC1,FIYKNXCWSXPOPU-UHFFFAOYSA-N
-rxn:4:215827:223754,CSc1ncc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c(N2CCCCC2)n1,FSNRQEISQIDTGO-UHFFFAOYSA-N
-rxn:4:215828:224256,CC1CN(c2ncc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)cc2[N+](=O)[O-])CCO1,RNWFVBQUBOWWAS-UHFFFAOYSA-N
-rxn:4:215832:223542,CN1CCN(S(=O)(=O)c2cc(-c3cnn(C)c3C(=O)N3CCC(F)(F)CC3)ccc2OC(F)(F)F)CC1,HJUCVQAJCMYFLS-UHFFFAOYSA-N
-rxn:4:215838:222465,CN1CCCC(Cn2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)C1,OHFUYLXDTWAXJQ-UHFFFAOYSA-N
-rxn:4:215847:223505,CC(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,NQWOVBCAANMVPN-UHFFFAOYSA-N
-rxn:4:215868:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,GNDRCOUTLHKVOS-UHFFFAOYSA-N
-rxn:4:215900:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1S(=O)(=O)NC1CCCC1,WWVFICGVJUJFMV-UHFFFAOYSA-N
-rxn:4:215904:224317,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)c(F)c2)CC1,CMGQYZCMSZJTEA-UHFFFAOYSA-N
-rxn:4:215904:224318,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2F)CC1,GXBOAFHAXLXPJT-UHFFFAOYSA-N
-rxn:4:215904:224349,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,OPFKMTDWVXIVCG-UHFFFAOYSA-N
-rxn:4:215906:224349,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,YEMYVKCJMPEOJZ-UHFFFAOYSA-N
-rxn:4:215907:224349,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,PWJLQXFVYVIFRQ-UHFFFAOYSA-N
-rxn:4:215908:224317,CN1CCN(C(=O)c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)c(F)c2)CC1,HFJRSHLJJUBRIV-UHFFFAOYSA-N
-rxn:4:215908:224318,CN1CCN(C(=O)c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2F)CC1,DDUZQGUHIOXPSE-UHFFFAOYSA-N
-rxn:4:215908:224349,CS(=O)(=O)N1CCN(c2cncc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,XLSNWQLFXOJSSR-UHFFFAOYSA-N
-rxn:4:215912:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c(F)c2)CC1,HWIVGBQBTJRFCC-UHFFFAOYSA-N
-rxn:4:215912:224318,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2F)CC1,VFEUSXPLWZDZNN-UHFFFAOYSA-N
-rxn:4:215913:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,ASBCGEVAQXIMCE-UHFFFAOYSA-N
-rxn:4:215913:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,QVYNYNWMTUNKDA-UHFFFAOYSA-N
-rxn:4:215913:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)c2)CC1,VSOLFUFEOSGUAZ-UHFFFAOYSA-N
-rxn:4:215914:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,SQPGHPHGIZTPRH-UHFFFAOYSA-N
-rxn:4:215914:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,MRTYBOIMRKXCPF-UHFFFAOYSA-N
-rxn:4:215923:223606,CC1CCCN(C(=O)c2cnn(C)c2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)C1,ULYXPVBQJGFVIM-UHFFFAOYSA-N
-rxn:4:215924:223606,CC1CCN(C(=O)c2cnn(C)c2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)CC1,PYZNTUAEZNLEKR-UHFFFAOYSA-N
-rxn:4:215935:222716,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1ccc(S(=O)(=O)NC2CCCC2)c(F)c1,JGEUPUCRYBDIHO-UHFFFAOYSA-N
-rxn:4:215989:222711,COc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC(C)(C)C,VFPCNDMAWZMPPZ-UHFFFAOYSA-N
-rxn:4:215989:222935,CN1CCN(C2CCN(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)CC2)CC1,WLOXQABPXHPBLC-UHFFFAOYSA-N
-rxn:4:216155:223588,Cc1cc(-c2ccc(C(=O)N3CCc4ncncc4C3)o2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MEVDKQMQCTVONN-UHFFFAOYSA-N
-rxn:4:216356:222594,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)Nc5ccc(C)cc5)c4)ccc2OC32CCN(C)CC2)cc1,AERFKUHUNCWZAN-UHFFFAOYSA-N
-rxn:4:216356:223475,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,WSPJURFJUNVJBN-UHFFFAOYSA-N
-rxn:4:216356:223508,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)ccc2OC32CCN(C)CC2)cc1,KPPLOINIABNYOU-UHFFFAOYSA-N
-rxn:4:216356:223549,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(COc5c(C(C)C)cccc5C(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,MIIMTSGUFYNPAX-UHFFFAOYSA-N
-rxn:4:216356:223594,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc2OC32CCN(C)CC2)cc1,UNKLTHBQTYCHOG-UHFFFAOYSA-N
-rxn:4:216356:223695,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc2OC32CCN(C)CC2)cc1,SZOAZRZSQWVEKX-UHFFFAOYSA-N
-rxn:4:216356:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)cc2)cc1,BITMTWLQUZNIDF-UHFFFAOYSA-N
-rxn:4:216356:223784,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)cc2F)CC1,BCINUWNMFBJXJF-UHFFFAOYSA-N
-rxn:4:216356:223846,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(C5CC6CCC5(C)C6(C)C)c4)ccc2OC32CCN(C)CC2)cc1,XZSNXEYRFMHVEL-UHFFFAOYSA-N
-rxn:4:216356:223869,CCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1OCc1ccccc1,HSMRMXOMYDCSGH-UHFFFAOYSA-N
-rxn:4:216356:224178,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OCCN5CCN(C)CC5)c4)ccc2OC32CCN(C)CC2)cc1,YJIFZWUZSQARQT-UHFFFAOYSA-N
-rxn:4:216356:224359,CCN(CC)C(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc([N+](=O)[O-])c1,NTVXXXZOPQEGJC-UHFFFAOYSA-N
-rxn:4:216356:224403,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)ccc2OC32CCN(C)CC2)cc1,SQLCRJROWSVAHL-UHFFFAOYSA-N
-rxn:4:216356:224420,COc1ccc(C2=NN3C(C2)c2cc(-c4cc5c(cc4C)C(C)(C)CCC5(C)C)ccc2OC32CCN(C)CC2)cc1,KKPJOJBCMKRSHE-UHFFFAOYSA-N
-rxn:4:216356:224483,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCCCC5)cc4)ccc2OC32CCN(C)CC2)cc1,FFMNJBLXSFFNHN-UHFFFAOYSA-N
-rxn:4:216356:224496,CCN1CCN(Cc2cccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)c2)CC1,XAGSQHTZZTXJDT-UHFFFAOYSA-N
-rxn:4:216356:224571,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCN(C(C)C)CC5)cc4)ccc2OC32CCN(C)CC2)cc1,UFUWBFKWWPKNAA-UHFFFAOYSA-N
-rxn:4:216356:224741,COc1ccc(C2=NN3C(C2)c2cc(-c4c(OC)cc(C5OCCO5)cc4OC)ccc2OC32CCN(C)CC2)cc1,AFEYTDGRRDQWSF-UHFFFAOYSA-N
-rxn:4:216356:224845,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,NFSJCVUMIADAPY-UHFFFAOYSA-N
-rxn:4:216356:224893,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,FONLCVUZUMPBBH-UHFFFAOYSA-N
-rxn:4:216356:224933,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCCC5)cc4)ccc2OC32CCN(C)CC2)cc1,KZEBVQYREBWBFS-UHFFFAOYSA-N
-rxn:4:216356:224976,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCCCC5)c4C#N)ccc2OC32CCN(C)CC2)cc1,XUYIFHREFNHPKZ-UHFFFAOYSA-N
-rxn:4:216356:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,RVLWXPMVYOJVFQ-UHFFFAOYSA-N
-rxn:4:216356:225394,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCC5)cc(C5CC5)c4)ccc2OC32CCN(C)CC2)cc1,LRZLNELPBRNUQK-UHFFFAOYSA-N
-rxn:4:216356:225423,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CCCCN(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,HZARRCUEGHHRSI-UHFFFAOYSA-N
-rxn:4:216356:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,VWYNPBUYADRMSN-UHFFFAOYSA-N
-rxn:4:216356:225445,COc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4OC4CCCCC4)ccc2OC32CCN(C)CC2)cc1,UQAJQTZSNHZQHW-UHFFFAOYSA-N
-rxn:4:216356:225446,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(OC5CCCC5)c4)ccc2OC32CCN(C)CC2)cc1,KOOHWSRMTNNUHZ-UHFFFAOYSA-N
-rxn:4:216356:225448,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)ccc4OC4CCCC4)ccc2OC32CCN(C)CC2)cc1,VKEPECLQMVYWOP-UHFFFAOYSA-N
-rxn:4:216356:225454,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCN(C)CC5)cc4)ccc2OC32CCN(C)CC2)cc1,HUJJCDPZPHMKSX-UHFFFAOYSA-N
-rxn:4:216356:225466,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5C)cc4)ccc2OC32CCN(C)CC2)cc1,RADHLPHTNHSUIV-UHFFFAOYSA-N
-rxn:4:216356:225472,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCCCC5C)c4)ccc2OC32CCN(C)CC2)cc1,YQWFAUXCJCCUCA-UHFFFAOYSA-N
-rxn:4:216356:225556,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)OC(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,PRVFWRSTYKUGOQ-UHFFFAOYSA-N
-rxn:4:216356:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,PWGNADJKQREYHS-UHFFFAOYSA-N
-rxn:4:216356:225631,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCN(C)CC5)cc4)ccc2OC32CCN(C)CC2)cc1,CZACREHQLWHSBR-UHFFFAOYSA-N
-rxn:4:216356:225709,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN(C)C)nc4)ccc2OC32CCN(C)CC2)cc1,ZYSCCUJVGSJKNR-UHFFFAOYSA-N
-rxn:4:216356:225745,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CC(C)C)c([N+](=O)[O-])c4)ccc2OC32CCN(C)CC2)cc1,XUJIABIAXUQEGK-UHFFFAOYSA-N
-rxn:4:216356:225797,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)ccc2OC32CCN(C)CC2)cc1,UWQQVPMUAVCNLG-UHFFFAOYSA-N
-rxn:4:216356:225871,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5C(=O)C=CC5=O)c4)ccc2OC32CCN(C)CC2)cc1,NMKVPKSETLENQF-UHFFFAOYSA-N
-rxn:4:216356:225927,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(F)(F)F)ccc4N(C)C)ccc2OC32CCN(C)CC2)cc1,HJMIXURYXYSGPK-UHFFFAOYSA-N
-rxn:4:216356:226061,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)C)cc(C5CC5)c4)ccc2OC32CCN(C)CC2)cc1,UWZGLKDJPXJDPD-UHFFFAOYSA-N
-rxn:4:216356:226067,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCCCC5)cc4)ccc2OC32CCN(C)CC2)cc1,GFALNEWBQSUHTF-UHFFFAOYSA-N
-rxn:4:216356:226068,COc1ccc(C2=NN3C(C2)c2cc(-c4c(C)cc(C(C)(C)C)cc4C)ccc2OC32CCN(C)CC2)cc1,ZZGGDFNLDGFCJW-UHFFFAOYSA-N
-rxn:4:216356:226097,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(COCC5CC5)cc4)ccc2OC32CCN(C)CC2)cc1,DQPYOHLXFPRQIH-UHFFFAOYSA-N
-rxn:4:216356:226107,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(OCC5CC5)c4)ccc2OC32CCN(C)CC2)cc1,FALMDLLENGGGOH-UHFFFAOYSA-N
-rxn:4:216356:226116,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCC5CC5)c(C)c4)ccc2OC32CCN(C)CC2)cc1,RMRSSBFXVGRZMS-UHFFFAOYSA-N
-rxn:4:216356:226125,COCc1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc(C2CC2)c1,YJMJHTHORRTNCK-UHFFFAOYSA-N
-rxn:4:216356:226127,CCOc1ccc(C(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,LRHXHQLWEKNXJK-UHFFFAOYSA-N
-rxn:4:216356:226164,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5)cc4)ccc2OC32CCN(C)CC2)cc1,MRKCDZQLYMFJPS-UHFFFAOYSA-N
-rxn:4:216356:226179,COc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCCC5)c4)ccc2OC32CCN(C)CC2)cc1,ZUFKUVPSJOAENV-UHFFFAOYSA-N
-rxn:4:216356:226185,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCOCC5)cc4)ccc2OC32CCN(C)CC2)cc1,KDNWKFMKWZAJAT-UHFFFAOYSA-N
-rxn:4:216356:226197,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCOC5)cc4)ccc2OC32CCN(C)CC2)cc1,COCMCHDFTSOZPV-UHFFFAOYSA-N
-rxn:4:216356:226227,COCCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,XWFQLMYIMAMSFL-UHFFFAOYSA-N
-rxn:4:216356:226243,CCOC(=O)Cc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,JHSOVVJCBUFWME-UHFFFAOYSA-N
-rxn:4:216356:226288,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(OC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,IZKGOONXPZZRBP-UHFFFAOYSA-N
-rxn:4:216356:226289,COc1ccc(C2=NN3C(C2)c2cc(-c4c(OC)cccc4OC(C)C)ccc2OC32CCN(C)CC2)cc1,QPDBRTZDTDOKMZ-UHFFFAOYSA-N
-rxn:4:216356:226519,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)c(OC)c(OC)c4)ccc2OC32CCN(C)CC2)cc1,MIIGMIRHXKHTIO-UHFFFAOYSA-N
-rxn:4:216356:226912,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(CC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,GULQZGJYFPOCLQ-UHFFFAOYSA-N
-rxn:4:216356:226920,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)(C)C)ccc4C)ccc2OC32CCN(C)CC2)cc1,KSXXOAUDEGUGSD-UHFFFAOYSA-N
-rxn:4:216356:226989,CCN(CC)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,OKTCXOFORVGJGB-UHFFFAOYSA-N
-rxn:4:216356:226990,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CCN(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,GKXNVPBLAUORKO-UHFFFAOYSA-N
-rxn:4:216356:227006,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OCC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,MCLMNHJLYGVAJO-UHFFFAOYSA-N
-rxn:4:216356:227007,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(COC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,VGMINXYVGYIRQD-UHFFFAOYSA-N
-rxn:4:216356:227013,CCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1CC,ITCTZCLTHLVHNU-UHFFFAOYSA-N
-rxn:4:216356:227040,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)ccc4OC(C)C)ccc2OC32CCN(C)CC2)cc1,XZLLITSRQKFWME-UHFFFAOYSA-N
-rxn:4:216356:227046,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(OC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,QFOCASDPFAPTLI-UHFFFAOYSA-N
-rxn:4:216356:227050,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(C)C)c(C)c4)ccc2OC32CCN(C)CC2)cc1,JEXJJHDIJRNNDC-UHFFFAOYSA-N
-rxn:4:216356:227054,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CC5)c(OC)c4)ccc2OC32CCN(C)CC2)cc1,AHVZBISIGSUQEE-UHFFFAOYSA-N
-rxn:4:216356:227060,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C)c(OC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,VIEHPTQTSBSXGF-UHFFFAOYSA-N
-rxn:4:216356:227069,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)cc4C(C)C)ccc2OC32CCN(C)CC2)cc1,YRZISXFOYQUARJ-UHFFFAOYSA-N
-rxn:4:216356:227239,COC(=O)Cc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,JUFXBIRRXNASPH-UHFFFAOYSA-N
-rxn:4:216356:227240,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(COC(C)=O)cc4)ccc2OC32CCN(C)CC2)cc1,MHQJRXSZRKGWRC-UHFFFAOYSA-N
-rxn:4:216356:227273,CCOc1c(OC)cccc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,FENMTWNKGCSQCK-UHFFFAOYSA-N
-rxn:4:216356:227376,COc1ccc(C2=NN3C(C2)c2cc(-c4cncc(N5CCCC5)c4)ccc2OC32CCN(C)CC2)cc1,ZYWZSINLUOURKQ-UHFFFAOYSA-N
-rxn:4:216356:227501,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C=C[N+](=O)[O-])cc4)ccc2OC32CCN(C)CC2)cc1,NLXNMLBULLYUKS-UHFFFAOYSA-N
-rxn:4:216356:227505,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(/C=C/[N+](=O)[O-])cc4)ccc2OC32CCN(C)CC2)cc1,NLXNMLBULLYUKS-DTQAZKPQSA-N
-rxn:4:216356:227768,COc1ccc(C2=NN3C(C2)c2cc(-c4cccn4S(=O)(=O)N(C)C)ccc2OC32CCN(C)CC2)cc1,FIDBHPLLAALYAU-UHFFFAOYSA-N
-rxn:4:216356:227804,COc1ccc(C2=NN3C(C2)c2cc(-c4cc([N+](=O)[O-])sc4[N+](=O)[O-])ccc2OC32CCN(C)CC2)cc1,GUTUXVVLXSRJEP-UHFFFAOYSA-N
-rxn:4:216503:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(C4CC4(F)F)nn3)cc(C(F)(F)F)c2)CC1,QUCNKCRORXVMLQ-UHFFFAOYSA-N
-rxn:4:216784:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCC4)n3)cc2[N+](=O)[O-])CC1,CVUKLDPSRSKEIR-UHFFFAOYSA-N
-rxn:4:217198:222465,CC1CCCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c(Cl)n2)C1,FGRKQQHQNPAKLV-UHFFFAOYSA-N
-rxn:4:217889:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,JRHPUCSXIVRVSV-UHFFFAOYSA-N
-rxn:4:218580:222861,CCCCNC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CCc4c(C)noc4C)C3)nc2)ccc1F,YLBMGTGBWOMHHG-UHFFFAOYSA-N
-rxn:4:218580:224773,Cc1cc(-c2cnc(OC3CCN(C(=O)CCc4c(C)noc4C)C3)nc2)ccc1S(=O)(=O)N1CCCC1,MZOXUNDGSHOGJW-UHFFFAOYSA-N
-rxn:4:218589:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c(F)c2)CC1,OHJKVTPKCCQDOV-UHFFFAOYSA-N
-rxn:4:218601:223085,CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Cn3cc(-c4cnc(Cl)c(N5CCC(O)C5)c4)cn3)C2)cc1,WYEBIIUVPYOMMJ-UHFFFAOYSA-N
-rxn:4:218656:225984,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,YLJZFRGWYNHYRU-UHFFFAOYSA-N
-rxn:4:218666:224718,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)C2)nn1,BWHOALNZDULJTB-UHFFFAOYSA-N
-rxn:4:218700:224683,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,OUEYTPUMSSLBGI-UHFFFAOYSA-N
-rxn:4:218710:222427,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4NC(=O)c4ccc(-c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VTXWJLHVIFXGFZ-UHFFFAOYSA-N
-rxn:4:218710:222474,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5ccccc5C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKHHMOZLYNETJM-UHFFFAOYSA-N
-rxn:4:218710:222505,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NCc5cccc(F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AXVWXACQXPHNQF-UHFFFAOYSA-N
-rxn:4:218710:222528,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCCc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QKOGCFZYUQJLSV-UHFFFAOYSA-N
-rxn:4:218710:222548,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccc(C#N)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NMPNDNYIFGOVES-UHFFFAOYSA-N
-rxn:4:218710:222597,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)Nc5ccccc5Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMIZIEDDWIYGAS-UHFFFAOYSA-N
-rxn:4:218710:222608,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FTDCTFCUPBFUED-UHFFFAOYSA-N
-rxn:4:218710:222618,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CCFVBEKCXXBBQS-UHFFFAOYSA-N
-rxn:4:218710:222679,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MZOHCEBVJMMPJZ-UHFFFAOYSA-N
-rxn:4:218710:222768,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)c5ccncc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZIYOJGARINRBRK-UHFFFAOYSA-N
-rxn:4:218710:222777,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YDOVHIWPULWODU-UHFFFAOYSA-N
-rxn:4:218710:222794,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5cnccn5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BJOKOOTZXYJEGP-UHFFFAOYSA-N
-rxn:4:218710:222835,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNC(=O)CC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,USVBHOUTGGOUCH-UHFFFAOYSA-N
-rxn:4:218710:222866,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DOBRNKATFJBSTO-UHFFFAOYSA-N
-rxn:4:218710:222876,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DITWOQFNRDISLN-UHFFFAOYSA-N
-rxn:4:218710:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc12,TVMQPJBLHLKJQJ-UHFFFAOYSA-N
-rxn:4:218710:222978,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VGBWZYOKCJYGEA-UHFFFAOYSA-N
-rxn:4:218710:222988,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(C5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XZIXWACHTSUIJY-UHFFFAOYSA-N
-rxn:4:218710:223011,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5[nH]ncc5cc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUIBXRHIRNNGCM-UHFFFAOYSA-N
-rxn:4:218710:223039,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCTHTRATTAUAFY-UHFFFAOYSA-N
-rxn:4:218710:223089,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]c(C(F)(F)F)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RDJLCKXJLMNDLV-UHFFFAOYSA-N
-rxn:4:218710:223095,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(C)=O)c4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DOWWAGOBPWCIAF-UHFFFAOYSA-N
-rxn:4:218710:223126,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HYETXGJWWWRKPJ-UHFFFAOYSA-N
-rxn:4:218710:223133,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4N4CCNCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVCLHIZDCQQHSC-UHFFFAOYSA-N
-rxn:4:218710:223148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C4CNCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ONZZHQUYXBUXEV-UHFFFAOYSA-N
-rxn:4:218710:223318,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5[nH]c(C)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TZSSFQYITBJKBN-UHFFFAOYSA-N
-rxn:4:218710:223345,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4NC(=O)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MMETYVGPYLJYJF-UHFFFAOYSA-N
-rxn:4:218710:223368,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c5[nH]ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DDCDVQJNPDDLJN-UHFFFAOYSA-N
-rxn:4:218710:223448,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(NC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RHNXEGIONRNQIH-UHFFFAOYSA-N
-rxn:4:218710:223571,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5C(=O)c6ccccc6C5=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YETBYAFTCLBLCH-UHFFFAOYSA-N
-rxn:4:218710:223588,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YFXPHNWPXPXNJQ-UHFFFAOYSA-N
-rxn:4:218710:223685,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(F)(F)F)c(OCc5cccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LVFTVJCCFVFNRI-UHFFFAOYSA-N
-rxn:4:218710:223803,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5cccc(C(F)(F)F)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GEVWPXQOMAMKHT-UHFFFAOYSA-N
-rxn:4:218710:223902,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZHNNCSPEWYFANS-UHFFFAOYSA-N
-rxn:4:218710:224018,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LCDGFHCEMLNWSE-UHFFFAOYSA-N
-rxn:4:218710:224091,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)cc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WIYQBTZHNWPIHV-UHFFFAOYSA-N
-rxn:4:218710:224099,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SCc5ccccc5C#N)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CDEXXTSSOZDFKS-UHFFFAOYSA-N
-rxn:4:218710:224122,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SCc5ccc(OC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JQEPEFBHUJWFEU-UHFFFAOYSA-N
-rxn:4:218710:224194,CCN1CCN(Cc2ccc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cc2Cl)CC1,UFIOMYURZATFAN-UHFFFAOYSA-N
-rxn:4:218710:224245,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)cc4-c4cccc([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SGAOGALUTNQOGP-UHFFFAOYSA-N
-rxn:4:218710:224260,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccc(C(F)(F)F)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YISTZBRZTIPOCX-UHFFFAOYSA-N
-rxn:4:218710:224285,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MANJRHVIKDYNID-UHFFFAOYSA-N
-rxn:4:218710:224371,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCC(C(=O)OC)CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RCHRUGZGDZVNMT-UHFFFAOYSA-N
-rxn:4:218710:224427,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SHUXBOQORRYAIY-UHFFFAOYSA-N
-rxn:4:218710:224513,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JKGYOPONTOOYRI-UHFFFAOYSA-N
-rxn:4:218710:224524,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5ccccc5)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MTPUOHATGASXAL-UHFFFAOYSA-N
-rxn:4:218710:224538,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccc5F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RIPTVUFRVRRDPP-UHFFFAOYSA-N
-rxn:4:218710:224554,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccc5)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UUKIJFHEWIQPOM-UHFFFAOYSA-N
-rxn:4:218710:224604,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5nc(C)n(C(C)(C)C)c5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ONQYWOBWBUIOTL-UHFFFAOYSA-N
-rxn:4:218710:224634,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(CN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NUPAOSSOQXVPKS-UHFFFAOYSA-N
-rxn:4:218710:224637,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(OCc5ccccc5)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FSISKYBCLLNLSG-UHFFFAOYSA-N
-rxn:4:218710:224669,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ROJSTZFNGBVATR-UHFFFAOYSA-N
-rxn:4:218710:224758,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HHAZCWOHEWABGN-UHFFFAOYSA-N
-rxn:4:218710:224765,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)ccc4N4CCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HVFISCPZZUXFQA-UHFFFAOYSA-N
-rxn:4:218710:224820,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CYJGQGDCVBHYRE-UHFFFAOYSA-N
-rxn:4:218710:224852,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cc(C)cc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TXNLIWNAYPGTLR-UHFFFAOYSA-N
-rxn:4:218710:224860,CCCOc1ccc2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc2c1,UGBBICXFFVLFGT-UHFFFAOYSA-N
-rxn:4:218710:224905,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(SC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SQPAMEGSGVCZDB-UHFFFAOYSA-N
-rxn:4:218710:224914,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccccc5)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YVSHDPUXJDULPM-UHFFFAOYSA-N
-rxn:4:218710:224917,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(C)CC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XUFNMXIFLKYPTB-UHFFFAOYSA-N
-rxn:4:218710:224948,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccncc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FIAMSTUBLFZSKZ-UHFFFAOYSA-N
-rxn:4:218710:225013,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5cncs5)cc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CYPIRDSNVMNHTM-UHFFFAOYSA-N
-rxn:4:218710:225028,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cccc4Oc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SSOYVRBCAODBHR-UHFFFAOYSA-N
-rxn:4:218710:225053,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IGOFWJXIIZTPHC-UHFFFAOYSA-N
-rxn:4:218710:225123,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccncc4OCC4CCCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PTILOIVSKSMKHP-UHFFFAOYSA-N
-rxn:4:218710:225138,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(-c5ccnc(C6CC6)c5)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPGSDIKCYQWJOL-UHFFFAOYSA-N
-rxn:4:218710:225175,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(CN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HZFSPGVSEBGEQP-UHFFFAOYSA-N
-rxn:4:218710:225180,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCCC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IKMZXDZPGQOCRM-UHFFFAOYSA-N
-rxn:4:218710:225253,CCOC(=O)c1ccc2ncc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)cn12,GCEJVPZLHPXLEA-UHFFFAOYSA-N
-rxn:4:218710:225280,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc([Si](C)(C)C)c(OC)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HGVIUIWVZJZMAQ-UHFFFAOYSA-N
-rxn:4:218710:225421,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(N(C)C)cccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZEJJUOWICSZNMX-UHFFFAOYSA-N
-rxn:4:218710:225427,CCCCOc1c(C)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,JLTXRXOORBRARK-UHFFFAOYSA-N
-rxn:4:218710:225472,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCCC5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CXTSJBRVAKOXDT-UHFFFAOYSA-N
-rxn:4:218710:225519,CCOC(=O)CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,DBAALYBNTBOGHL-UHFFFAOYSA-N
-rxn:4:218710:225529,CCN(CC)Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,DIBIBUGHWPKKLD-UHFFFAOYSA-N
-rxn:4:218710:225545,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C(=O)OCC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MZBPFKNCXMFQHH-UHFFFAOYSA-N
-rxn:4:218710:225556,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ORXUMLDKUAWAFO-UHFFFAOYSA-N
-rxn:4:218710:225635,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-n5nc(C)cc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHBGBGGZHVXTGQ-UHFFFAOYSA-N
-rxn:4:218710:225647,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cc(C)cn5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZLCJWTNBMLSYPF-UHFFFAOYSA-N
-rxn:4:218710:225720,CCOC(=O)COc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,MOQSTHARCIGXNN-UHFFFAOYSA-N
-rxn:4:218710:225785,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5cccnc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZNALQFZKVFEMNN-UHFFFAOYSA-N
-rxn:4:218710:225809,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4OC4CCOC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AUISUVGUKSNAND-UHFFFAOYSA-N
-rxn:4:218710:225824,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SOQVIOHBBQDOBL-UHFFFAOYSA-N
-rxn:4:218710:225876,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4N4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YBPXMFUHQRHACU-UHFFFAOYSA-N
-rxn:4:218710:225882,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CONZLRRBEGULLT-UHFFFAOYSA-N
-rxn:4:218710:225904,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)N(C)OC)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YUOYDCJGDSBDCS-UHFFFAOYSA-N
-rxn:4:218710:225942,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)C)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BCHZIWQOOPXNOK-UHFFFAOYSA-N
-rxn:4:218710:225994,CCSc1ncc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,WKCIEGUNUQHSFO-UHFFFAOYSA-N
-rxn:4:218710:226034,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)c(OC)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LPLYLPZEYHDRCD-UHFFFAOYSA-N
-rxn:4:218710:226122,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(COC)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BVJOTOFYMPOFLN-UHFFFAOYSA-N
-rxn:4:218710:226172,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCC5)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RFEJNTREIKWTAN-UHFFFAOYSA-N
-rxn:4:218710:226185,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DXBRUSDSHILMAC-UHFFFAOYSA-N
-rxn:4:218710:226199,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(cnn5C(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BQRFKUYMZLHQLY-UHFFFAOYSA-N
-rxn:4:218710:226213,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HGPOYECGTHPYEX-UHFFFAOYSA-N
-rxn:4:218710:226220,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc(C)cc(Cl)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OJXIZUQSZHKPIM-UHFFFAOYSA-N
-rxn:4:218710:226221,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cccnc5c(C)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CSKVTHKFQQDDIV-UHFFFAOYSA-N
-rxn:4:218710:226241,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CCC(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IARNMKKFCMOCBW-UHFFFAOYSA-N
-rxn:4:218710:226265,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(OCCOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SGXNPXWSOCBDRV-UHFFFAOYSA-N
-rxn:4:218710:226402,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JURLEFRQUNCGGR-UHFFFAOYSA-N
-rxn:4:218710:226447,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ONOLNAXYLJYUMN-UHFFFAOYSA-N
-rxn:4:218710:226460,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5ccc(OC)nc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OMUIVLCPQRUZDS-UHFFFAOYSA-N
-rxn:4:218710:226482,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OCCOC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RZEDAWYRBWWVEO-UHFFFAOYSA-N
-rxn:4:218710:226519,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XRRRWZLOEPZWIQ-UHFFFAOYSA-N
-rxn:4:218710:226551,CCOc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc(Cl)c1OC,KHYPMTRBWIHCMT-UHFFFAOYSA-N
-rxn:4:218710:226563,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CC(=O)OC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AZXCRJYXWODUJD-UHFFFAOYSA-N
-rxn:4:218710:226565,CCOc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)cc1OC,XVBPJABKOBIPCD-UHFFFAOYSA-N
-rxn:4:218710:226626,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LYTMOZVIBLDGLI-UHFFFAOYSA-N
-rxn:4:218710:226678,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4-n4cccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZGXUGLNTINEVGD-UHFFFAOYSA-N
-rxn:4:218710:226682,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JITPPROVCCJMRQ-UHFFFAOYSA-N
-rxn:4:218710:226684,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cccn5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YARFACXWFNGRRB-UHFFFAOYSA-N
-rxn:4:218710:226701,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccsc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBDCIKLUUFVROY-UHFFFAOYSA-N
-rxn:4:218710:226703,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5ncco5)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LSWTUXXQFGAUFB-UHFFFAOYSA-N
-rxn:4:218710:226712,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCOC)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LEGRHWHUOWRUIC-UHFFFAOYSA-N
-rxn:4:218710:226715,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QAYPCKQRLBTWJO-UHFFFAOYSA-N
-rxn:4:218710:226744,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cnc1C(F)(F)F,NUZONGDZUZQLKJ-UHFFFAOYSA-N
-rxn:4:218710:226836,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C(C)C)nc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XPEGQBCBTHRPBE-UHFFFAOYSA-N
-rxn:4:218710:226930,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(C)cccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WERMMBMXTHFRGZ-UHFFFAOYSA-N
-rxn:4:218710:226943,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cc(C)ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WOUYEHABCIONAN-UHFFFAOYSA-N
-rxn:4:218710:226957,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GIMVHFOEPONIPM-UHFFFAOYSA-N
-rxn:4:218710:226966,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(=O)CCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ONIKWIGHXQXCLS-UHFFFAOYSA-N
-rxn:4:218710:226999,CCCC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,ZPDSTFPDFYKUJJ-UHFFFAOYSA-N
-rxn:4:218710:227001,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(SCC5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZRGSXIQGLZKHAE-UHFFFAOYSA-N
-rxn:4:218710:227008,CC=CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,FSVAXFLTAUQCOS-UHFFFAOYSA-N
-rxn:4:218710:227018,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)C#N)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GHXDEEGRINKAGI-UHFFFAOYSA-N
-rxn:4:218710:227044,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RSIUNKILDXPHJC-UHFFFAOYSA-N
-rxn:4:218710:227067,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LJYBRILHZPOJJG-UHFFFAOYSA-N
-rxn:4:218710:227080,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ILVCJBJGTZMBDF-UHFFFAOYSA-N
-rxn:4:218710:227101,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C5CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YTHDYTFOKKWGQL-UHFFFAOYSA-N
-rxn:4:218710:227118,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(C5CC5)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFYDCBLLTIELON-UHFFFAOYSA-N
-rxn:4:218710:227135,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(cnn5CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZOAQBDTWWLQGHV-UHFFFAOYSA-N
-rxn:4:218710:227156,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C)nn(C)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PCEHCSFAGBZCRM-UHFFFAOYSA-N
-rxn:4:218710:227164,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5ccc(F)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PPXLHXIDPWMRCY-UHFFFAOYSA-N
-rxn:4:218710:227177,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ccnc(Cl)c45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DVQGCPUTTWSYIT-UHFFFAOYSA-N
-rxn:4:218710:227219,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCCF)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WSBLCJVKBPHYLH-UHFFFAOYSA-N
-rxn:4:218710:227223,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHRVBETWTBWILQ-UHFFFAOYSA-N
-rxn:4:218710:227235,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C#N,GREKASDLICAPCC-UHFFFAOYSA-N
-rxn:4:218710:227236,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,VGCXXYVPMPKBFJ-UHFFFAOYSA-N
-rxn:4:218710:227242,CCCOc1cccc(F)c1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,OTIKYNFMKGNOQZ-UHFFFAOYSA-N
-rxn:4:218710:227271,CCOc1cc(OC)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,MGSNYCVJBKSQCK-UHFFFAOYSA-N
-rxn:4:218710:227331,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cccc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IEQIBGLLBFFURG-UHFFFAOYSA-N
-rxn:4:218710:227415,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)C)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ATBPMRPZLSSKBN-UHFFFAOYSA-N
-rxn:4:218710:227496,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)CC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WSTWPPHVSHCIPC-UHFFFAOYSA-N
-rxn:4:218710:227572,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)OC)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ACBVYYBKFNJKDH-UHFFFAOYSA-N
-rxn:4:218710:227592,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QHSMNMQCZKNGAB-UHFFFAOYSA-N
-rxn:4:218710:227705,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(F)F)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CBSSQCNSGORVJP-UHFFFAOYSA-N
-rxn:4:218710:227774,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ncc4C(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QBUOTFKGVQMRPP-UHFFFAOYSA-N
-rxn:4:218710:227826,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MFTFVDBQFPZWNK-UHFFFAOYSA-N
-rxn:4:218710:227836,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)cc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UNXAMKMVORDILU-UHFFFAOYSA-N
-rxn:4:218710:227864,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccc(C)cc5s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OBMRHBNOLIOLAM-UHFFFAOYSA-N
-rxn:4:218710:227873,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc5ccc(C)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VLEHHOROZWLVKH-UHFFFAOYSA-N
-rxn:4:218710:227878,CCCCCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)s1,GASDPFJRZWSAKP-UHFFFAOYSA-N
-rxn:4:218710:227920,CCC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,ODCXZAWASPSCRR-UHFFFAOYSA-N
-rxn:4:218710:227931,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OC4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SONBIMLYUMNSIQ-UHFFFAOYSA-N
-rxn:4:218710:227950,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N(C)C)ccc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YDRLERRRPAADKI-UHFFFAOYSA-N
-rxn:4:218710:227962,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)nc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YSYYODLOFOHBSM-UHFFFAOYSA-N
-rxn:4:218710:227983,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4[Si](C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WAZYVQOZNFYNHI-UHFFFAOYSA-N
-rxn:4:218710:227987,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JGCJDTQLPTURTB-UHFFFAOYSA-N
-rxn:4:218710:228000,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MOPXGSYLYNSOKU-UHFFFAOYSA-N
-rxn:4:218710:228035,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C)c5ncccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DYMONZQCTUKQJX-UHFFFAOYSA-N
-rxn:4:218710:228036,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn5ccnc5cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AOMCPXYGDXMWPZ-UHFFFAOYSA-N
-rxn:4:218710:228046,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5c4ccn5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DRTVLKJRMKRLPJ-UHFFFAOYSA-N
-rxn:4:218710:228095,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCCF)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AMWICICCTSFVTR-UHFFFAOYSA-N
-rxn:4:218710:228097,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(CN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OPAKMQIIDSUDQT-UHFFFAOYSA-N
-rxn:4:218710:228103,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(CC(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWVIPNIEKHEXHV-UHFFFAOYSA-N
-rxn:4:218710:228126,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LCTVWUXIROWQRQ-UHFFFAOYSA-N
-rxn:4:218710:228136,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MMMVZYHXPYOJIG-UHFFFAOYSA-N
-rxn:4:218710:228154,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)cccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AINCTBAEXYRWMT-UHFFFAOYSA-N
-rxn:4:218710:228199,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C5CCC5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PJFCMLGMZCPEQC-UHFFFAOYSA-N
-rxn:4:218710:228278,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(C)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MPMLPBLBPYROHB-UHFFFAOYSA-N
-rxn:4:218710:228297,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)s1,KOHYNUJZMDPWON-UHFFFAOYSA-N
-rxn:4:218710:228326,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)nc(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZPKUVGZDWWWIQD-UHFFFAOYSA-N
-rxn:4:218710:228474,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HVNJMEFEKUTAMY-UHFFFAOYSA-N
-rxn:4:218710:228479,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WKUCZWPJUBSUEU-UHFFFAOYSA-N
-rxn:4:218710:228481,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GHEOJBRKYYTGGJ-UHFFFAOYSA-N
-rxn:4:218710:228506,CCCc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,CTUOPQGVPBRXJC-UHFFFAOYSA-N
-rxn:4:218710:228684,CCOc1ncccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,AEYXOYGOGQGAEO-UHFFFAOYSA-N
-rxn:4:218710:228736,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)nc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AZKYEGDVFDSUSP-UHFFFAOYSA-N
-rxn:4:218710:228748,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XMNGPWYIRQVKQS-UHFFFAOYSA-N
-rxn:4:218710:228749,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C#N)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PPMNKQDMCZJQOK-UHFFFAOYSA-N
-rxn:4:218710:228834,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTFCGMSUXPDYQC-UHFFFAOYSA-N
-rxn:4:218710:228897,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cnc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MRUWUFSUJNKOMU-UHFFFAOYSA-N
-rxn:4:218710:228900,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ncc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NVFHOAMKESETLA-UHFFFAOYSA-N
-rxn:4:218710:228908,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ncc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ABCMXJIQOMFLSN-UHFFFAOYSA-N
-rxn:4:218710:228979,CCc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,CCPNSPXOKISEPS-UHFFFAOYSA-N
-rxn:4:218710:228982,C#Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,BGTHNMFUYOYBCC-UHFFFAOYSA-N
-rxn:4:218710:229014,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MWAZHBNZOMHESJ-UHFFFAOYSA-N
-rxn:4:218710:229022,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZGRCQEJPHVRGGN-UHFFFAOYSA-N
-rxn:4:218710:229025,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)n(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UOBIYOKAWMYEOP-UHFFFAOYSA-N
-rxn:4:218710:229075,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C#N)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CTVMDZXUNZZYJZ-UHFFFAOYSA-N
-rxn:4:218710:229099,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)ccnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZJTRNKYHUICMPB-UHFFFAOYSA-N
-rxn:4:218710:229114,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ncc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QCESLTZCSGSXEJ-UHFFFAOYSA-N
-rxn:4:218710:229148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CCF)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKURRQIKVNCMQE-UHFFFAOYSA-N
-rxn:4:218710:229211,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VNIMRKXSFPRTID-UHFFFAOYSA-N
-rxn:4:218710:229243,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RDZAQJLURBXPIG-UHFFFAOYSA-N
-rxn:4:218729:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3nc4sccn4c3C=NOCC(=O)N3CCOCC3)cc2)cc1,PNIOZHGBJKDJRE-UHFFFAOYSA-N
-rxn:4:218778:226667,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(Cl)cc4-n4cccn4)cc(Cl)cc32)cc(C)c1F,BRHPGWOQGRWSHD-UHFFFAOYSA-N
-rxn:4:218867:226142,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(OC4CCCC4)c3)c2)no1,HWYIOEBDLDZJLA-UHFFFAOYSA-N
-rxn:4:218868:222935,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)no1,NGXAFEMXVPPNPV-UHFFFAOYSA-N
-rxn:4:218868:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2)no1,ITRJIFDXEPCARU-UHFFFAOYSA-N
-rxn:4:218868:226180,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C)nc(C4CCCC4)c3)cc2)no1,BZXIIVBGAJPZBD-UHFFFAOYSA-N
-rxn:4:218868:226586,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCOC4)c3)cc2)no1,XGWIAZGGWRLBDT-UHFFFAOYSA-N
-rxn:4:218884:224329,O=C1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)cc2F)CC1,FCZBMJWNEXHTNC-UHFFFAOYSA-N
-rxn:4:218903:226549,CCOc1c(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1OC,KEZFJSYAEKSCPJ-UHFFFAOYSA-N
-rxn:4:218964:222584,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)CC1,QSEQOAOIASUHOB-UHFFFAOYSA-N
-rxn:4:218971:222634,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)s1,FLJAYDLTRDTPOG-UHFFFAOYSA-N
-rxn:4:218972:224668,CCN1CCN(c2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c2)CC1,BZEJTHGIPWOGOK-UHFFFAOYSA-N
-rxn:4:218991:223575,Cn1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,WHMDRAGSGRSUHP-UHFFFAOYSA-N
-rxn:4:218992:226236,CCCCOc1ncc(C)cc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,HZYJVOIULDNHII-UHFFFAOYSA-N
-rxn:4:219044:223958,CCN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)cc2F)CC1,AHXOZTPLZZOYCF-UHFFFAOYSA-N
-rxn:4:219050:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(-c3csc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)n3)cc2)c1,QTDUSRRXKSGAOS-UHFFFAOYSA-N
-rxn:4:219061:226091,CCCCOc1ccc(C)cc1-c1cnc(OC2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nc1,GSJBPDWCLTVCDS-UHFFFAOYSA-N
-rxn:4:219071:222724,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cnc(N6CCNCC6)c(C(F)(F)F)c5)cc4)CC3)n[nH]2)cc1,LFMPAHSWZCZIAQ-UHFFFAOYSA-N
-rxn:4:219078:224263,O=C(c1ccccc1-c1ccc(-c2ccccc2)cc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,BHOJADTXCXZXKU-UHFFFAOYSA-N
-rxn:4:219107:225979,CCC(=O)C1=C(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,QOKQYOHHJXPFMY-UHFFFAOYSA-N
-rxn:4:219120:224129,CN(C(=O)c1cccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1)C1CCCCC1,ZVRNDHVQJHJSJQ-UHFFFAOYSA-N
-rxn:4:219128:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2Cl)CC1,DNYGAFQTDUSUQA-UHFFFAOYSA-N
-rxn:4:219128:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c1)N1CCOCC1,SOPAMCVHBOSQMI-UHFFFAOYSA-N
-rxn:4:219129:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2)CC1,KPWYPNYZUQAACX-UHFFFAOYSA-N
-rxn:4:219129:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1)N1CCOCC1,AGVFUCYMSXEKOX-UHFFFAOYSA-N
-rxn:4:219135:224587,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CN6CCC(C)CC6)c(F)c5)c4)C3C2=O)cc1,FWXYOULWEHBGST-UHFFFAOYSA-N
-rxn:4:219182:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)ccc1C,VWUISABDXVTIEO-UHFFFAOYSA-N
-rxn:4:219381:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,NGSXNVAJVSXSKG-UHFFFAOYSA-N
-rxn:4:219384:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c(F)c2)CC1,AMBLTTPARLGCJA-UHFFFAOYSA-N
-rxn:4:219403:225572,COC(=O)c1ccc(C2CC2)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,DTWYRAVQZQHFNF-UHFFFAOYSA-N
-rxn:4:219405:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,WEPPFURTJVNAFT-UHFFFAOYSA-N
-rxn:4:219410:223175,CCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,XJPWBBIOVSQKBG-UHFFFAOYSA-N
-rxn:4:219414:222634,N#Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,MBZFOAATVZFFKU-UHFFFAOYSA-N
-rxn:4:219464:223595,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,WIYIYHMCEWLSKZ-UHFFFAOYSA-N
-rxn:4:219488:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c1,CLHBSLDAMPVHAW-HSTJUUNISA-N
-rxn:4:219489:222516,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1,PIZALRFSEDGPDI-UHFFFAOYSA-N
-rxn:4:219497:225301,N#Cc1cc(-c2cc(OC3CCOCC3)ncc2F)cnc1N1CCOC(C(=O)N2CCCCC2)C1,VOHZLQPEPTXUDK-UHFFFAOYSA-N
-rxn:4:219506:222959,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)ccc1C1CCNCC1,XCEKIDWNPQOGBS-UHFFFAOYSA-N
-rxn:4:219524:222778,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4cncc(CNC(=O)OC(C)(C)C)c4)c3)C2)n1,WPQBTHIUQZTLAI-UHFFFAOYSA-N
-rxn:4:219531:224364,CSc1ncc(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,OIEGIERXFJXJJE-UHFFFAOYSA-N
-rxn:4:219538:226107,Cc1cc(OCC2CC2)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)c1,BYGUJTRLPKAMRG-UHFFFAOYSA-N
-rxn:4:219543:225665,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4N4CCCCC4)cc3)CC2)n1,OSOPSRILFYGWEV-UHFFFAOYSA-N
-rxn:4:219565:222740,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cc3)CC2)n1,HOURXZDPYMSNKO-UHFFFAOYSA-N
-rxn:4:219565:226420,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(F)c(N5CCCC5)c4)cc3)CC2)n1,KSGLFMNAOFKBRO-UHFFFAOYSA-N
-rxn:4:219565:226421,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4N4CCCC4)cc3)CC2)n1,WGIUNVGSZZPIAC-UHFFFAOYSA-N
-rxn:4:219565:226423,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(N5CCCC5)c4)cc3)CC2)n1,OCOSFRNBLFGMPT-UHFFFAOYSA-N
-rxn:4:219623:224718,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)o1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,WKFYQFAJQZWKPY-UHFFFAOYSA-N
-rxn:4:219631:224325,CN(C(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)o1)C1CN(c2cc3c(nn2)CCC3)C1,RQZHGIYCIWZONG-UHFFFAOYSA-N
-rxn:4:219653:224718,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)nc3s2)CC1,JOVRYIONHLUKIF-UHFFFAOYSA-N
-rxn:4:219654:222889,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(CN5CCNCC5)c4)cc23)CC1,XLBWHYNEZLDDQO-UHFFFAOYSA-N
-rxn:4:219678:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)c2)CC1,OVKMXNWJMGILDM-UHFFFAOYSA-N
-rxn:4:219687:223775,COc1ccc2c(c1)c(-c1ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c1)cn2C(=O)OC(C)(C)C,YPCPFTGQOSOIET-UHFFFAOYSA-N
-rxn:4:219692:224811,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3cnc(Cl)nc32)CC1,NPQYDGJNMOTEKO-UHFFFAOYSA-N
-rxn:4:219698:223542,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc2)c(=O)c3=O)cc1,ZFAKNIAELKYPQA-UHFFFAOYSA-N
-rxn:4:219698:223660,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc2)c(=O)c3=O)cc1,KYORUMQFERSYEZ-UHFFFAOYSA-N
-rxn:4:219704:222887,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3n2)CC1,GCYATJZVLHZPCM-UHFFFAOYSA-N
-rxn:4:219716:224771,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C)c(S(=O)(=O)N6CCCC6)c5)cc4)CC3C2)ncn1,QYUZJJSLJPMGAZ-UHFFFAOYSA-N
-rxn:4:219742:225801,O=C(c1cncc(-c2ccnc(OC3CCCC3)c2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,DRADXCPNPOZDAP-UHFFFAOYSA-N
-rxn:4:219743:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C(C)C)s1,XXJSALDBILKLOM-UHFFFAOYSA-N
-rxn:4:219764:222568,CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(F)nc3c(F)c(-c4ccc(C(=O)NCc5ccccc5F)cc4)c(Cl)cc13)C2,WLRJMHFXTBEXMM-UHFFFAOYSA-N
-rxn:4:219766:225308,O=C(c1cncc(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,GXAUOXYQOKVYJK-UHFFFAOYSA-N
-rxn:4:219769:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4Cn5nc(C(=O)N6CCN(C(C)C)CC6)cc5CO4)cc3)cn2)CC1,FCSAGABYCRYSRJ-UHFFFAOYSA-N
-rxn:4:219849:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1S(=O)(=O)N1CC(n2nccn2)C1,ARTLBGOWXCQOER-UHFFFAOYSA-N
-rxn:4:219868:224368,CCN1CCN(c2c(-c3cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c3)cncc2[N+](=O)[O-])CC1,ANCAPUSPQBZLBP-UHFFFAOYSA-N
-rxn:4:220204:225055,CC1CCCN(c2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c(Cl)c2)C1,RRHMQQPAAOMMIX-UHFFFAOYSA-N
-rxn:4:220204:226477,CCCCOc1ncc(Cl)cc1-c1ccc2ncnc(N3CCOC(C(=O)N4CCOCC4)C3)c2c1,AOZUXTBEJZHNPO-UHFFFAOYSA-N
-rxn:4:220221:225876,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)ccc4N4CCOCC4)cc2)OC3)CC1,CTWPSQKKUMNVFJ-UHFFFAOYSA-N
-rxn:4:220239:225532,CCN(CC)Cc1ccc(-c2c3c(nn2Cc2ccccc2)C(=O)N([C@H]2COc4ccccc4N(C)C2=O)CC3)c(F)c1,YRTSSIADRDYUTM-LJAQVGFWSA-N
-rxn:4:220421:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5cccc(Cl)c5)CC4)nc3)cc2C)CC1,NEXIPQOPBFULHB-UHFFFAOYSA-N
-rxn:4:220422:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2C)CC1,DRIHTOGLIQCCMO-UHFFFAOYSA-N
-rxn:4:220423:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5ccccc5F)CC4)nc3)cc2C)CC1,YQXCPKXLDACVDT-UHFFFAOYSA-N
-rxn:4:220424:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5ccc(F)cc5)CC4)nc3)cc2C)CC1,DMJLYIXEDBLIDT-UHFFFAOYSA-N
-rxn:4:220491:224286,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)nc2C1,KECSESKSYFHZSX-UHFFFAOYSA-N
-rxn:4:220507:223602,CN1CCN(C(=O)c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn23)CC1,FMFHCXWDEFJMFL-UHFFFAOYSA-N
-rxn:4:220545:223712,COc1ccc(-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,HQQIWZKCDZPXTD-UHFFFAOYSA-N
-rxn:4:220811:223520,CC(c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BCCDSBDTJPRZOK-UHFFFAOYSA-N
-rxn:4:220813:223490,Cc1ccc(-c2cncc(N3CCN(C)CC3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NJTMVSVPGNIWEN-UHFFFAOYSA-N
-rxn:4:220818:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCCN(C)CC3)nc2)CC1,INOWBURTENHUOM-UHFFFAOYSA-N
-rxn:4:220819:223838,Cc1nc(N2CCN(C)CC2)ncc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,QFZRZTBOQAEHAQ-UHFFFAOYSA-N
-rxn:4:220819:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,OTMAAKNQAVGUFT-UHFFFAOYSA-N
-rxn:4:221093:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2cnc(OCC3CCCN(CCn4cccn4)C3)nc2)c1,ZBCWQXPPLCIERW-UHFFFAOYSA-N
-rxn:4:221102:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc(C(C)C)no5)C4)nc3)cn2)CC1,RMDIKZFVDOIRHC-UHFFFAOYSA-N
-rxn:4:221106:226045,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3ccc(C(F)(F)C(F)(F)F)nc3)c2)CC1,JPJUEMGUUJTDPD-UHFFFAOYSA-N
-rxn:4:221107:222935,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cn3)C2)c(=O)c1C,YFDLGPPOQMNXKI-UHFFFAOYSA-N
-rxn:4:221130:222935,COc1ccccc1N1CCN(C(=O)CSc2nc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3c3nc4ccccc4n23)CC1,CGUPIRNYFUTCTO-UHFFFAOYSA-N
-rxn:4:221169:222850,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCNCC5)ccc4C#N)cn3)C2)cn1,NTKRDXNSAFBTKC-UHFFFAOYSA-N
-rxn:4:221171:224746,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cn3)C2)c1F,CIJJJWTULZDNIL-UHFFFAOYSA-N
-rxn:4:221173:222584,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,NCWGZPBRUYIXPU-UHFFFAOYSA-N
-rxn:4:221173:224325,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)ccc1=O,NRSAJEQFMBPICC-UHFFFAOYSA-N
-rxn:4:221175:225724,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCN(C)C)c(F)c4)cn3)C2)C(=O)C1=O,SDPAESHKOOOBFL-UHFFFAOYSA-N
-rxn:4:221175:226492,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OCCOC)ccc4Cl)cn3)C2)C(=O)C1=O,TXLCLEADGJAHOA-UHFFFAOYSA-N
-rxn:4:221175:228402,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(OC)c4F)cn3)C2)C(=O)C1=O,PNLBVZWJLSPPIS-UHFFFAOYSA-N
-rxn:4:221175:228404,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(OC)c4Cl)cn3)C2)C(=O)C1=O,BISWUXCYNRANAB-UHFFFAOYSA-N
-rxn:4:221175:228412,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(F)cc4F)cn3)C2)C(=O)C1=O,RHZBLTDNQLAOBJ-UHFFFAOYSA-N
-rxn:4:221175:228423,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(F)c4OC)cn3)C2)C(=O)C1=O,DDQPONYSQLXCIQ-UHFFFAOYSA-N
-rxn:4:221175:228747,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)cccc4C#N)cn3)C2)C(=O)C1=O,XZJMCHIEEMLINX-UHFFFAOYSA-N
-rxn:4:221207:222409,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1S(N)(=O)=O,GMAHVBQMNXXQRL-UHFFFAOYSA-N
-rxn:4:221207:222497,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)OCc5ccccc5)c(Cl)c4)cc3)CC2)n1,NGUCGVNRDYKFGN-UHFFFAOYSA-N
-rxn:4:221207:222543,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,BENJAOQMRNXUTE-UHFFFAOYSA-N
-rxn:4:221207:222554,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCc5ccccc5)c(Cl)c4)cc3)CC2)n1,STOFUFZVWGSHGZ-UHFFFAOYSA-N
-rxn:4:221207:222599,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)Nc5cccc(Cl)c5)c(F)c4)cc3)CC2)n1,FHNUODRCOYBKKG-UHFFFAOYSA-N
-rxn:4:221207:222622,CCC(C)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,YFIWAVYOYOPHBJ-UHFFFAOYSA-N
-rxn:4:221207:222819,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc3)CC2)n1,QWYBGLZSHZQSKL-UHFFFAOYSA-N
-rxn:4:221207:222912,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)NCC(C)C)cc4)cc3)CC2)n1,FLHAPTBVHJUUJY-UHFFFAOYSA-N
-rxn:4:221207:223094,CC(=O)Nc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1[N+](=O)[O-],KISMIVZJQXJRFP-UHFFFAOYSA-N
-rxn:4:221207:223144,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)CC2)n1,BURAGHISUYUAFI-UHFFFAOYSA-N
-rxn:4:221207:223151,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,CZWACMBHQZBNKH-UHFFFAOYSA-N
-rxn:4:221207:223241,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cncc(C5CCNC5)c4)cc3)CC2)n1,RHZKEKQXSLVIRR-UHFFFAOYSA-N
-rxn:4:221207:223387,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)[nH]n1,VQESWAMCIIGADQ-UHFFFAOYSA-N
-rxn:4:221207:223490,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,XSXXVJCOHIIRRX-UHFFFAOYSA-N
-rxn:4:221207:223729,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)ccc4OCc4ccccc4)cc3)CC2)n1,ZPTORTHQJOQYAK-UHFFFAOYSA-N
-rxn:4:221207:223833,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cc5Cl)cc4)cc3)CC2)n1,CRCWTQNFSUATKM-UHFFFAOYSA-N
-rxn:4:221207:223920,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4Cl)cc3)CC2)n1,FWCQEXAOQBJMQW-UHFFFAOYSA-N
-rxn:4:221207:224005,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(Cl)c(-c5ccccc5C(F)(F)F)c4)cc3)CC2)n1,UPQQXBXAMUBPMT-UHFFFAOYSA-N
-rxn:4:221207:224126,CCN1CCN(C(C)c2cccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2)CC1,XNCJPUMOBTURAW-UHFFFAOYSA-N
-rxn:4:221207:224248,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,OKECJISXOWSJBN-UHFFFAOYSA-N
-rxn:4:221207:224278,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,LRNUOZVRVUBUTD-UHFFFAOYSA-N
-rxn:4:221207:224403,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)cc3)CC2)n1,CCZUOBSISUNDSV-UHFFFAOYSA-N
-rxn:4:221207:224416,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,NBTLQRWNGWCISW-UHFFFAOYSA-N
-rxn:4:221207:224458,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCC(C)CC5)cc4)cc3)CC2)n1,PAIXUIFYOQOTFI-UHFFFAOYSA-N
-rxn:4:221207:224609,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnccc4C(=O)N(C(C)C)C(C)C)cc3)CC2)n1,CXEDDNRQAQUMQM-UHFFFAOYSA-N
-rxn:4:221207:224732,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)OCC(C)(C)C)cc4)cc3)CC2)n1,UDGBAUHQKCAUOA-UHFFFAOYSA-N
-rxn:4:221207:224842,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)CC2)n1,VVAQMGTZXIZXSM-UHFFFAOYSA-N
-rxn:4:221207:224890,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(N5CCCC5)c4)cc3)CC2)n1,VLLCSSDDKAXPQT-UHFFFAOYSA-N
-rxn:4:221207:225215,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(N5CCC(C)CC5)c4Cl)cc3)CC2)n1,YRYPEVXFODOQOC-UHFFFAOYSA-N
-rxn:4:221207:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,QPOQBWMONCLFTF-UHFFFAOYSA-N
-rxn:4:221207:225329,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCC(F)(F)F)c(C#N)c4)cc3)CC2)n1,CQCPEMAGLAPXCW-UHFFFAOYSA-N
-rxn:4:221207:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OLNDAFRZLMZDDJ-UHFFFAOYSA-N
-rxn:4:221207:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,JAOPEANXZMRMFF-UHFFFAOYSA-N
-rxn:4:221207:226000,CC(=O)Oc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1[N+](=O)[O-],ZCORUVDAVXNPOB-UHFFFAOYSA-N
-rxn:4:221207:226017,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OC(F)(F)F,WAHNUSAKYXBYTA-UHFFFAOYSA-N
-rxn:4:221207:226025,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(OC5CCOC5)nc4Cl)cc3)CC2)n1,ZUBXKQAKROCOQO-UHFFFAOYSA-N
-rxn:4:221207:226339,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C#N)cc(Cl)c4C4CC4)cc3)CC2)n1,HTJUSWSVVLOKJR-UHFFFAOYSA-N
-rxn:4:221207:226437,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CCCC5)ncc4F)cc3)CC2)n1,GSAPRBTUTJNEFA-UHFFFAOYSA-N
-rxn:4:221207:226448,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(Cl)c(C5CCCC5)c4)cc3)CC2)n1,SERQQTYWKIIIQZ-UHFFFAOYSA-N
-rxn:4:221207:226752,COc1c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cccc1C(F)(F)F,PSUOQIHBLNFFSY-UHFFFAOYSA-N
-rxn:4:221207:226827,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)c(C)c4F)cc3)CC2)n1,COIMYMZSXJKHIQ-UHFFFAOYSA-N
-rxn:4:221207:226850,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)n1,OZAPDIFBJPVJTM-UHFFFAOYSA-N
-rxn:4:221207:226923,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C)c(C5CC5)cc4C)cc3)CC2)n1,HLTAZMCYSHUPPB-UHFFFAOYSA-N
-rxn:4:221207:227031,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CC5)cc4C#N)cc3)CC2)n1,BFJINDOEZLSFEK-UHFFFAOYSA-N
-rxn:4:221207:227034,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4c(C#N)cccc4C4CC4)cc3)CC2)n1,NVVXZIZJKKRAOP-UHFFFAOYSA-N
-rxn:4:221207:227035,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C#N)cc(C5CC5)c4)cc3)CC2)n1,WEYQJRSDZCTSPS-UHFFFAOYSA-N
-rxn:4:221207:227047,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(SC5CCC5)c4)cc3)CC2)n1,JYKGVYHRXUMPPQ-UHFFFAOYSA-N
-rxn:4:221207:227117,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(C)c4F)cc3)CC2)n1,GUSTUOOBOZJOGC-UHFFFAOYSA-N
-rxn:4:221207:227215,COCCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,SILSZZUBEROOBU-UHFFFAOYSA-N
-rxn:4:221207:227252,CCCOc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1Cl,IWSTUVKLFIKLIZ-UHFFFAOYSA-N
-rxn:4:221207:227259,COc1ccc(CSC)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,QVGKQCKWPIGMQI-UHFFFAOYSA-N
-rxn:4:221207:227300,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cncc(OC5CCC5)c4)cc3)CC2)n1,HEYWFVDDHHSEHL-UHFFFAOYSA-N
-rxn:4:221207:227419,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCC5)nc4F)cc3)CC2)n1,NYZDLDVIAGOWLG-UHFFFAOYSA-N
-rxn:4:221207:227472,CCCOc1ncc(Cl)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,ICWSEDJEPKQZNF-UHFFFAOYSA-N
-rxn:4:221207:227475,CCOC(=O)c1cncc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,YSDHPFZJACWPBY-UHFFFAOYSA-N
-rxn:4:221207:227517,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC5COC5)nc4)cc3)CC2)n1,WWZJJKIZZRIFBA-UHFFFAOYSA-N
-rxn:4:221207:227574,COc1c(F)ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1OC,REQOCGOQEPWNBS-UHFFFAOYSA-N
-rxn:4:221209:222435,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)c4)cc3)CC2)n1,VHGPJGOJNCNSNU-UHFFFAOYSA-N
-rxn:4:221209:222466,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,UNVNPQDNORGOFC-UHFFFAOYSA-N
-rxn:4:221209:222514,COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,QILZJDZIDHSQSV-UHFFFAOYSA-N
-rxn:4:221209:222603,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,NUBHXATWVWQWAH-UHFFFAOYSA-N
-rxn:4:221209:222628,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)n1,WLHXNJOZCNJTOT-UHFFFAOYSA-N
-rxn:4:221209:222805,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(F)c(N5CCC(O)CC5)c4)cc3)CC2)n1,ZJTDFWHNKVPTDB-UHFFFAOYSA-N
-rxn:4:221209:223092,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(NS(=O)(=O)N(C)C)c4)cc3)CC2)n1,PKJXBCABTOPGKU-UHFFFAOYSA-N
-rxn:4:221209:223139,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)n1,DULKVHCMOFKBMG-UHFFFAOYSA-N
-rxn:4:221209:223167,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(N5CCNCC5)c4)cc3)CC2)n1,TYPHZBHAIOMFGB-UHFFFAOYSA-N
-rxn:4:221209:223186,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnn(C5CCCCO5)c4)cc3)CC2)n1,YMCGYCXQOZVEFP-UHFFFAOYSA-N
-rxn:4:221209:223228,CCC(=O)Nc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,LTZHWYLWLHVVNN-UHFFFAOYSA-N
-rxn:4:221209:223240,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,ODGCHBNWISNJEF-UHFFFAOYSA-N
-rxn:4:221209:223258,COC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,DYQSWYHPYZUIKI-UHFFFAOYSA-N
-rxn:4:221209:223294,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,FBWZQUCNEKJQEK-UHFFFAOYSA-N
-rxn:4:221209:223474,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCc5ccccc5)c(C56CC7CC(CC(C7)C5)C6)c4)cc3)CC2)n1,QWTHCOCXWPZPIY-UHFFFAOYSA-N
-rxn:4:221209:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c2)c1,FHCYZVVOGLCUTM-UHFFFAOYSA-N
-rxn:4:221209:223733,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(OCc5ccc(C(C)(C)C)cc5)c4)cc3)CC2)n1,ILMPZVXKSIBFTI-UHFFFAOYSA-N
-rxn:4:221209:224000,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(-c5cccc(C(F)(F)F)c5)c(Cl)c4)cc3)CC2)n1,FKUOBYAAKLUZSK-UHFFFAOYSA-N
-rxn:4:221209:224022,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CC2)n1,WNUJDYFQFNJYTG-UHFFFAOYSA-N
-rxn:4:221209:224089,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC(C)CC5)cc4)cc3)CC2)n1,ZLOCLDMKLKMDJW-UHFFFAOYSA-N
-rxn:4:221209:224126,CCN1CCN(C(C)c2cccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c2)CC1,DYRMIBBCEYRMNO-UHFFFAOYSA-N
-rxn:4:221209:224167,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN(C)C(=O)OC(C)(C)C)cc4)cc3)CC2)n1,GOYKRHRYWZKLOH-UHFFFAOYSA-N
-rxn:4:221209:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)CC1,YLRGADDSLSASBW-UHFFFAOYSA-N
-rxn:4:221209:224246,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cc3)CC2)n1,KRFPHSOQJDKPAN-UHFFFAOYSA-N
-rxn:4:221209:224429,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5cc(OCC(C)C)ccc5c4)cc3)CC2)n1,VTIYTZDXIAUXCU-UHFFFAOYSA-N
-rxn:4:221209:224458,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCC(C)CC5)cc4)cc3)CC2)n1,IBRFVZZWCIRHOQ-UHFFFAOYSA-N
-rxn:4:221209:224485,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)CC2)n1,IQQBDUFQIZUPQW-UHFFFAOYSA-N
-rxn:4:221209:224489,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)ccc4CN(C(C)C)C(C)C)cc3)CC2)n1,SNGMBNOONIOMDR-UHFFFAOYSA-N
-rxn:4:221209:224845,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)CC2)n1,RHAJBEZTDFFNJC-UHFFFAOYSA-N
-rxn:4:221209:225204,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)cc(C5CC5)c4C)cc3)CC2)n1,WEODZIKKTNJABM-UHFFFAOYSA-N
-rxn:4:221209:225372,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)cc3)CC2)n1,BLAXAQSCMPXKNF-UHFFFAOYSA-N
-rxn:4:221209:225507,COC(=O)C1CCc2cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)ccc21,ZUWKQWXTLDWDRU-UHFFFAOYSA-N
-rxn:4:221209:225557,COC(=O)C1(c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,PXVUBDNRIRZAEP-UHFFFAOYSA-N
-rxn:4:221209:225868,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)c(F)c4)cc3)CC2)n1,YHSVJAJETVSDPO-UHFFFAOYSA-N
-rxn:4:221209:226029,CCOc1c(F)c(F)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(F)c1F,JZSLWSSONSRKDJ-UHFFFAOYSA-N
-rxn:4:221209:226064,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCCCC5)cc4)cc3)CC2)n1,OTJHQHJUOJRDTF-UHFFFAOYSA-N
-rxn:4:221209:226116,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCC5CC5)c(C)c4)cc3)CC2)n1,KOBMACVEXSTUBL-UHFFFAOYSA-N
-rxn:4:221209:226321,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(SC5CCCC5)nc4)cc3)CC2)n1,MNYKEKSFPKLEIU-UHFFFAOYSA-N
-rxn:4:221209:226345,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(C)cc1C,VVAQWDXQXXZMCI-UHFFFAOYSA-N
-rxn:4:221209:226348,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OC(C)(C)C)cc4Cl)cc3)CC2)n1,MBXGSEOIDCTJLK-UHFFFAOYSA-N
-rxn:4:221209:226382,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,RBVMLORCKMSQLD-UHFFFAOYSA-N
-rxn:4:221209:226428,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCCCC5C)cs4)cc3)CC2)n1,XXYXLVPYERRKMP-UHFFFAOYSA-N
-rxn:4:221209:226440,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)nc(C5CCCC5)c4)cc3)CC2)n1,PMZAKCGLUMBBTH-UHFFFAOYSA-N
-rxn:4:221209:226541,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1OC,SZAQQNKOHQOFJL-UHFFFAOYSA-N
-rxn:4:221209:226546,COC(=O)c1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1OC,DWDBFKMXFNWNPL-UHFFFAOYSA-N
-rxn:4:221209:226557,CCOc1c(OC)ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1F,GAXDJFLFAGVQPH-UHFFFAOYSA-N
-rxn:4:221209:226836,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cn(C(C)C)nc4C(F)(F)F)cc3)CC2)n1,ZFZHASWUJVMFNX-UHFFFAOYSA-N
-rxn:4:221209:226969,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)CCCC5=O)cc3)CC2)n1,UXECNUPSNJLPSA-UHFFFAOYSA-N
-rxn:4:221209:227113,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)c(F)cc4C)cc3)CC2)n1,QAXUASJUDNEGRW-UHFFFAOYSA-N
-rxn:4:221209:227118,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(Cl)cc(C5CC5)c4C)cc3)CC2)n1,UUWVRRWGRRIUCA-UHFFFAOYSA-N
-rxn:4:221209:227233,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1CC#N,UOCRFGZPMWGUFJ-UHFFFAOYSA-N
-rxn:4:221209:227264,COCc1cc(OC)ccc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,USPUYZCHPPHTKO-UHFFFAOYSA-N
-rxn:4:221209:227335,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(Cl)cc4OC(C)C)cc3)CC2)n1,IRMZSJGHEVZKOG-UHFFFAOYSA-N
-rxn:4:221209:227409,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)ncc4F)cc3)CC2)n1,SIHYKUUHNDNRLD-UHFFFAOYSA-N
-rxn:4:221209:227413,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,OMTZWPRQFDFXNJ-UHFFFAOYSA-N
-rxn:4:221209:227446,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5OCCO5)cc4)cc3)CC2)n1,UJAGISMVVAIHCL-UHFFFAOYSA-N
-rxn:4:221209:227450,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C5CC5(F)F)c4)cc3)CC2)n1,ADGPCTCVDUWQPE-UHFFFAOYSA-N
-rxn:4:221209:227471,CCCOc1ncc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1Cl,ACDLXYKTQBHKPB-UHFFFAOYSA-N
-rxn:4:221209:227488,CSCOc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1F,JVPKZSGNQSQVMP-UHFFFAOYSA-N
-rxn:4:221209:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,HWLZOTWHQTYFGQ-UHFFFAOYSA-N
-rxn:4:221209:228016,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCCC5)cs4)cc3)CC2)n1,DOHKLPSLMQGKAB-UHFFFAOYSA-N
-rxn:4:221209:228293,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnn(CCN(C)C)c4)cc3)CC2)n1,QUTDBWISJCJLHQ-UHFFFAOYSA-N
-rxn:4:221230:224817,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C1)CCC2,NOLOELHFIYKYKU-UHFFFAOYSA-N
-rxn:4:221230:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)CCC4)C2)nc1,IQRKMGRXHLLGSF-UHFFFAOYSA-N
-rxn:4:221232:222937,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cn3)C1)CCOC2,XBLJOZOLZKKUSE-UHFFFAOYSA-N
-rxn:4:221233:222430,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)c4)CC3)ccc2n1,MCCCIKAIWVPXDP-UHFFFAOYSA-N
-rxn:4:221245:224666,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(F)c(CN6CCN(C)CC6)c5)c4)CC3)nn2c1C,LAVVLXYLOGJKRM-UHFFFAOYSA-N
-rxn:4:221249:225553,CC(C)N(C)C(=O)c1ccc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)cc1,POQOQNBPYKEDHA-UHFFFAOYSA-N
-rxn:4:221249:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCOCC6)c5)cnn4c3)cc2)CC1,ZBXGFBNZXVENTO-UHFFFAOYSA-N
-rxn:4:221293:223492,Cc1cc(-c2cnn(CC3CN(c4nnc(C5CC5)s4)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AMKBWOWZLGTFPN-UHFFFAOYSA-N
-rxn:4:221363:222546,Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)n1,KSMALQBOZHLDAD-UHFFFAOYSA-N
-rxn:4:221369:223649,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,VFZNVHNKXCQJNX-UHFFFAOYSA-N
-rxn:4:221374:223945,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)c1=O,FQIVXGKEAZBUKX-UHFFFAOYSA-N
-rxn:4:221411:222584,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,KTXCRDBHLCUTCT-UHFFFAOYSA-N
-rxn:4:221413:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c1,PECYBKQZNYSBTC-UHFFFAOYSA-N
-rxn:4:221414:223054,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4ccc(C(C)N5CCC(O)C5)s4)c3)CC2)cn1C,YPCLIVGCHFWUHP-UHFFFAOYSA-N
-rxn:4:221415:225514,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCC4(CC4)CO5)cc3)CC2)n1,VFZXDFHKBZFMBJ-UHFFFAOYSA-N
-rxn:4:221417:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)o4)CC3)n2)n1,DJRUTEZWONTXBI-UHFFFAOYSA-N
-rxn:4:221419:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2F)CC1,BQULXCONSJXAAB-UHFFFAOYSA-N
-rxn:4:221431:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,IGCHLNUHHLRYBN-UHFFFAOYSA-N
-rxn:4:221432:223071,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)cc1,XCARITIETQBIIX-UHFFFAOYSA-N
-rxn:4:221432:224269,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cn(C(=O)OC(C)(C)C)c5cnccc45)c3)CC2)n1,BLMAOECJBMNLJR-UHFFFAOYSA-N
-rxn:4:221433:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1,XPPOGIAEJXECCR-UHFFFAOYSA-N
-rxn:4:221433:225044,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cc3)CC2)n1,XETUXAXYHGTDJT-UHFFFAOYSA-N
-rxn:4:221434:223191,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1F,AYAMFHTZARINAB-UHFFFAOYSA-N
-rxn:4:221434:223192,CNS(=O)(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)ccc1F,PVFMHDGKCVOHIY-UHFFFAOYSA-N
-rxn:4:221435:223191,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1F,BEIIUANFSTYYTI-UHFFFAOYSA-N
-rxn:4:221438:223504,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)o3)CC2)nn1,GJPLTZDRGWUTFM-UHFFFAOYSA-N
-rxn:4:221439:223191,CNS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1F,GQIIUVZJFVMEEY-UHFFFAOYSA-N
-rxn:4:221439:223192,CNS(=O)(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc1F,AJDWEICQUPTTAP-UHFFFAOYSA-N
-rxn:4:221440:227224,CCN(CC)c1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,SJHSMHLPWFUHFR-UHFFFAOYSA-N
-rxn:4:221440:227248,CCCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,AGJNNXXWFVFCRB-UHFFFAOYSA-N
-rxn:4:221444:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1,PENDIJHJTNFWOE-UHFFFAOYSA-N
-rxn:4:221449:222392,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)Nc5ccc(Cl)cc5)c4)cc3)CC2)n1,RELONZNQKOGSLL-UHFFFAOYSA-N
-rxn:4:221449:222394,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)CC2)n1,WSAYYZFWJHVZSR-QVYRIUEQSA-N
-rxn:4:221449:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc2F)cc1,VASTYSUFSYYIID-UHFFFAOYSA-N
-rxn:4:221449:222511,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)cc3)CC2)n1,ZNMGVVDPQYSNKD-UHFFFAOYSA-N
-rxn:4:221449:222755,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5cccs5)cc4)cc3)CC2)n1,RVOKWIJCEHFOPE-UHFFFAOYSA-N
-rxn:4:221449:222889,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)CC2)n1,RURZHABQYACPGN-UHFFFAOYSA-N
-rxn:4:221449:223020,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCC#N)cc4)cc3)CC2)n1,HYWHNPLEZZZGTD-UHFFFAOYSA-N
-rxn:4:221449:223094,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1[N+](=O)[O-],UIGCJOLNDOFQOM-UHFFFAOYSA-N
-rxn:4:221449:223097,CNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,NKTKXOXUXDDWDS-UHFFFAOYSA-N
-rxn:4:221449:223115,CC(=O)NCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,GPXVQQDXWZCNKD-UHFFFAOYSA-N
-rxn:4:221449:223549,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COc5c(C(C)C)cccc5C(C)C)cc4)cc3)CC2)n1,VSEZIFZUEVGYOG-UHFFFAOYSA-N
-rxn:4:221449:223639,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cc3)CC2)n1,KETSAKLHNBIKTK-UHFFFAOYSA-N
-rxn:4:221449:223642,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c3ccccc32)cc1,HXPWEIGYVHOSRG-UHFFFAOYSA-N
-rxn:4:221449:223909,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OCc5ccccc5)c(F)c4)cc3)CC2)n1,AWZPQUSMNZOAOV-UHFFFAOYSA-N
-rxn:4:221449:224011,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)CC2)n1,RKLFDMTWGSANEE-UHFFFAOYSA-N
-rxn:4:221449:224039,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(OCCC(C)C)ccc5ccccc45)cc3)CC2)n1,VYMCUZNGPUPDHW-UHFFFAOYSA-N
-rxn:4:221449:224059,COc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,RRFMFIIPXYCISV-UHFFFAOYSA-N
-rxn:4:221449:224069,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5ccccn5)cc(C(C)(C)C)c4)cc3)CC2)n1,MKBPPYIBEJIHJX-UHFFFAOYSA-N
-rxn:4:221449:224092,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ccc4OCc4ccccc4)cc3)CC2)n1,YHXLXJSGJCLOJS-UHFFFAOYSA-N
-rxn:4:221449:224124,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N(C)Cc5ccccc5)c(C)c4)cc3)CC2)n1,KFPNDOQOKIADDM-UHFFFAOYSA-N
-rxn:4:221449:224356,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,ZITVVEDWEGPJJQ-UHFFFAOYSA-N
-rxn:4:221449:224414,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,IVKWEGGYXRXBDO-UHFFFAOYSA-N
-rxn:4:221449:224426,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)cc(C5CC5)c4)cc3)CC2)n1,NJUDXIRQJSPCDU-UHFFFAOYSA-N
-rxn:4:221449:224471,CCOC(=O)c1cccc2c(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cccc12,SKTYFGJLEKLUDU-UHFFFAOYSA-N
-rxn:4:221449:224472,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(Cl)c(OC(C)C)ccc5c4)cc3)CC2)n1,GJLBDVVDYKHVPY-UHFFFAOYSA-N
-rxn:4:221449:224826,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cnc1C(F)(F)F,VSWLIRSBTRUCIL-UHFFFAOYSA-N
-rxn:4:221449:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,OLUWOUGCTBRARE-MCZWQBSQSA-N
-rxn:4:221449:224933,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCCC5)cc4)cc3)CC2)n1,SOFSJFMUDROPQU-UHFFFAOYSA-N
-rxn:4:221449:224976,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3)CC2)n1,SMTNXBLMVZHSLI-UHFFFAOYSA-N
-rxn:4:221449:225294,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cn2)CC1,QMXLZCHNDMNHMW-UHFFFAOYSA-N
-rxn:4:221449:225424,CCCCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,YKQABPKDFWWEMY-UHFFFAOYSA-N
-rxn:4:221449:225451,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)CC2)n1,WUNJRAAQPKGQLA-UHFFFAOYSA-N
-rxn:4:221449:225466,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)cc4)cc3)CC2)n1,JXCLHSCOQBZUGJ-UHFFFAOYSA-N
-rxn:4:221449:225607,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N5CCCCC5)s4)cc3)CC2)n1,NNCIPZTUKZWMJK-UHFFFAOYSA-N
-rxn:4:221449:225873,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCOCC5=O)c4)cc3)CC2)n1,DRRBXLAGVKNSHE-UHFFFAOYSA-N
-rxn:4:221449:226270,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C=C(C#N)C#N)c4)cc3)CC2)n1,CKTKJBPKPIHJPB-UHFFFAOYSA-N
-rxn:4:221449:226308,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1C(=O)OC,MDZAYXWANVLGSP-UHFFFAOYSA-N
-rxn:4:221449:228353,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N(C)C)c(Cl)c4)cc3)CC2)n1,RKICUEGJLMLBPG-UHFFFAOYSA-N
-rxn:4:221449:228964,COC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)s1,ZKMKZPUDUAEOOO-UHFFFAOYSA-N
-rxn:4:221453:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)c1,CAUHHBHUIPOTJR-UHFFFAOYSA-N
-rxn:4:221453:222589,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,USNVRQGFKIWCSN-UHFFFAOYSA-N
-rxn:4:221453:222639,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,SLHMHKLZNNLXCU-VWLOTQADSA-N
-rxn:4:221453:222987,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCNCC5)nc4C)cc3)CC2)n1,MWTBUZWWXMKOIX-UHFFFAOYSA-N
-rxn:4:221453:222988,Cc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,KRIDBGAXAXUWGA-UHFFFAOYSA-N
-rxn:4:221453:223001,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)CC2)n1,GTRNXNZGTNMAGK-UHFFFAOYSA-N
-rxn:4:221453:223033,CCCNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1,OZXAHRGIKUUNAA-UHFFFAOYSA-N
-rxn:4:221453:223061,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)CC2)n1,DFXFCCMASIZLSO-UHFFFAOYSA-N
-rxn:4:221453:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,YUOJKKWXVPWKLB-UHFFFAOYSA-N
-rxn:4:221453:223103,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)cc3)CC2)n1,UDNCJQZMELOXIX-UHFFFAOYSA-N
-rxn:4:221453:223147,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)CC2)n1,MVIUZRDOJAPFSW-UHFFFAOYSA-N
-rxn:4:221453:223229,CC(=O)Nc1ccc(C)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,YXBUWHAVVOHXOH-UHFFFAOYSA-N
-rxn:4:221453:223271,CC(=O)Nc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,CSHQNRPTAMMCRI-UHFFFAOYSA-N
-rxn:4:221453:223294,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,AZETUCDBODGVBM-UHFFFAOYSA-N
-rxn:4:221453:223504,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cc3)CC2)n1,CCHKBPRKUFOFEI-UHFFFAOYSA-N
-rxn:4:221453:223539,COc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ASXCQGWCBRHXKX-UHFFFAOYSA-N
-rxn:4:221453:224317,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)cc3)CC2)n1,SWDDEJBPJQIGIQ-UHFFFAOYSA-N
-rxn:4:221453:224571,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3)CC2)n1,NKBFMNDVDDZNNC-UHFFFAOYSA-N
-rxn:4:221453:224689,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3)CC2)n1,VRBIFJQPOUMBLY-UHFFFAOYSA-N
-rxn:4:221453:224709,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(OC(F)(F)F)ccc5ccccc45)cc3)CC2)n1,JSMCMHOGQHEBSY-UHFFFAOYSA-N
-rxn:4:221453:224796,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cc3)CC2)n1,RITBPZTULWATRE-UHFFFAOYSA-N
-rxn:4:221453:225347,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(OC(C)C)c(C(F)(F)F)c4)cc3)CC2)n1,ZNOFNBNMMHMKGO-UHFFFAOYSA-N
-rxn:4:221453:225449,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(OC5CCCCC5)c4)cc3)CC2)n1,ZTEYPNMMANBNBS-UHFFFAOYSA-N
-rxn:4:221453:225452,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC5C=CCCC5)cc4)cc3)CC2)n1,QIPGFFQUSJZUTN-UHFFFAOYSA-N
-rxn:4:221453:225453,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(SC5CCCCC5)c4)cc3)CC2)n1,WPDAEUCKXHPWFO-UHFFFAOYSA-N
-rxn:4:221453:225797,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)cc3)CC2)n1,LPMGVYPZUKNTEK-UHFFFAOYSA-N
-rxn:4:221453:225825,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,WICAMXYCBSDTOC-UHFFFAOYSA-N
-rxn:4:221453:225878,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc3)CC2)n1,NPFDBAQJZXKAGR-UHFFFAOYSA-N
-rxn:4:221453:225896,COCCOc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)cc1F,HZEITJHZTUAIKX-UHFFFAOYSA-N
-rxn:4:221453:226060,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CC5)cc(C5CC5)c4)cc3)CC2)n1,CMMRCTLKODEUNA-UHFFFAOYSA-N
-rxn:4:221453:226148,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C#C[Si](C)(C)C)c4)cc3)CC2)n1,HOATXXYATOCVEM-UHFFFAOYSA-N
-rxn:4:221453:226325,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C#N)cc4F)cc3)CC2)n1,QAAXBVMTFZDSIO-UHFFFAOYSA-N
-rxn:4:221453:226722,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cnc1OC,UDPIGBNIDZZYQJ-UHFFFAOYSA-N
-rxn:4:221453:226835,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)nn4C(C)C)cc3)CC2)n1,JXMNYBULYZYWPE-UHFFFAOYSA-N
-rxn:4:221453:226842,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,CRCDVMWLMGBJAM-UHFFFAOYSA-N
-rxn:4:221453:226922,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(C)cc(C5CC5)cc4C)cc3)CC2)n1,FLRFIHUGPYQJSS-UHFFFAOYSA-N
-rxn:4:221453:227333,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(OC(C)C)ccc4Cl)cc3)CC2)n1,HXCFSSWRZZYLPT-UHFFFAOYSA-N
-rxn:4:221453:227366,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)cc(OC(C)C)c4)cc3)CC2)n1,LTIMVKBPEMJGQS-UHFFFAOYSA-N
-rxn:4:221453:227493,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(Cl)nc4CC(C)C)cc3)CC2)n1,GIARHALZUQPCRO-UHFFFAOYSA-N
-rxn:4:221453:228295,CCOC(=O)n1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,ZAJMSVIDKNMUEP-UHFFFAOYSA-N
-rxn:4:221456:223239,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,PEZYAKYUXHSEBI-UHFFFAOYSA-N
-rxn:4:221456:224833,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5ncon5)cc(C(F)(F)F)c4)cc3)CC2)n1,RCRODPFDQKACMN-UHFFFAOYSA-N
-rxn:4:221456:226281,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CC(=O)N(C)C)cc4)cc3)CC2)n1,CXOUXNFMANCHCG-UHFFFAOYSA-N
-rxn:4:221498:224672,CCN1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c(Cl)c2)CC1,FTYXUBBVUUQWEK-UHFFFAOYSA-N
-rxn:4:221520:224683,O=C(c1cc(F)cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c1)N1CCCCC1,WVBXCJYITDWAON-UHFFFAOYSA-N
-rxn:4:221528:222889,CC(C)c1sc(-c2cc(F)cc(CN3CCNCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,CORZQTOQPSEFPX-UHFFFAOYSA-N
-rxn:4:221528:224664,CC(C)c1sc(-c2cc(F)cc(CN3CCN(C)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,DETSBICWTBCMDA-UHFFFAOYSA-N
-rxn:4:221613:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,IVIBQTYIFHKOEB-UHFFFAOYSA-N
-rxn:4:221618:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1,OOBCVTLSNOYHQI-UHFFFAOYSA-N
-rxn:4:221620:224372,O=C(c1cc(-c2cnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCCC1,BLZNFUCQDWFYMA-UHFFFAOYSA-N
-rxn:4:221621:224372,O=C(c1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccncn3)CC2)cc([N+](=O)[O-])c1)N1CCCC1,IMFNLPIIBSBHOE-UHFFFAOYSA-N
-rxn:4:221622:224372,O=C(c1cc(-c2cnc(N3CCN(c4ncccn4)CC3)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1)N1CCCC1,JQZQACSOSZMFKE-UHFFFAOYSA-N
-rxn:4:221622:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1,ZLVJAPZDKVQHFV-UHFFFAOYSA-N
-rxn:4:221642:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)cc1,ABBVPNAMBXXNAW-UHFFFAOYSA-N
-rxn:4:221776:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,XAMVWNKRGYUZKW-UHFFFAOYSA-N
-rxn:4:221788:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(C)cc3)n(C)c2=O)cc1,ZWWQYNUQVHHQCF-UHFFFAOYSA-N
-rxn:4:221836:224394,Cc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,XFLFWGKXEMKNHR-UHFFFAOYSA-N
-rxn:4:221919:224759,CCOc1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,ZISPTKLQFSUUTQ-UHFFFAOYSA-N
-rxn:4:221943:222436,O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)c1,WOJNXCQPIPOWJW-UHFFFAOYSA-N
-rxn:4:221961:222546,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)nc2)cn1,VVECWZQSHNECPY-UHFFFAOYSA-N
-rxn:4:221975:222436,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)Nc7cccc(OC(F)(F)F)c7)c6)cc5)no4)C3C2=O)cc1,KXNMPDPXIFAILX-UHFFFAOYSA-N
-rxn:4:221975:222611,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCNCC7)ccc6OC)cc5)no4)C3C2=O)cc1,FTRRYMUUCFTTIP-UHFFFAOYSA-N
-rxn:4:221975:222623,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,WHKIPYGNYLESCB-UHFFFAOYSA-N
-rxn:4:221975:222719,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)nc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,HCCBZFVEGYCZLB-UHFFFAOYSA-N
-rxn:4:221975:222720,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,GGJAORZKUQAJSI-UHFFFAOYSA-N
-rxn:4:221975:222788,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)(C)C)cc6F)cc5)no4)C3C2=O)cc1,DVYDGJNXFRTWAE-UHFFFAOYSA-N
-rxn:4:221975:222803,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,FWCBAWNFZURIFS-UHFFFAOYSA-N
-rxn:4:221975:222816,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1,BIHWCGBMHMKFTE-UHFFFAOYSA-N
-rxn:4:221975:222855,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,FZEJRKHXUZWAFL-UHFFFAOYSA-N
-rxn:4:221975:222889,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCNCC7)c6)cc5)no4)C3C2=O)cc1,SFCJCHLMAPXQOJ-UHFFFAOYSA-N
-rxn:4:221975:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(Cl)c1,DIAFZEYHSSPCPP-UHFFFAOYSA-N
-rxn:4:221975:222981,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,CPSVEMPPOIIJGQ-UHFFFAOYSA-N
-rxn:4:221975:223001,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)ccc6F)cc5)no4)C3C2=O)cc1,MVBYZSRXDWPBRQ-UHFFFAOYSA-N
-rxn:4:221975:223026,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1F,DTTJINNCQGLOFP-UHFFFAOYSA-N
-rxn:4:221975:223078,CCNS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(C)c1,XQPBLNKALBTWCH-UHFFFAOYSA-N
-rxn:4:221975:223092,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NS(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,JKMWICVMTHVQLS-UHFFFAOYSA-N
-rxn:4:221975:223531,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,XUQQCPKFLZRHAU-UHFFFAOYSA-N
-rxn:4:221975:223558,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)CCN(C(=O)OCc6ccccc6)C7)cc5)no4)C3C2=O)cc1,VBHWZJCVCSHFGL-UHFFFAOYSA-N
-rxn:4:221975:223591,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCN(C(=O)OC(C)(C)C)CC7)ccc6F)cc5)no4)C3C2=O)cc1,JVRXNUAYKXTECT-UHFFFAOYSA-N
-rxn:4:221975:223662,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OCc7ccccc7)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,QZJJMMNZNZZFGB-UHFFFAOYSA-N
-rxn:4:221975:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c(F)cc2C)CC1,KYXDMNCJPNUIJB-UHFFFAOYSA-N
-rxn:4:221975:223835,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCC(C)CC7)c(C)cc6F)cc5)no4)C3C2=O)cc1,AYQOXWHMVFFAFI-UHFFFAOYSA-N
-rxn:4:221975:223928,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(c6)CN(C(=O)OC(C)(C)C)CC7)cc5)no4)C3C2=O)cc1,XENOHHMNKCROSS-UHFFFAOYSA-N
-rxn:4:221975:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)CC1,CDOAZJRZDSAWNF-UHFFFAOYSA-N
-rxn:4:221975:224011,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,LYVBWFSWXCQELX-UHFFFAOYSA-N
-rxn:4:221975:224244,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C(=O)N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,JQCFNGSRJNGUIW-UHFFFAOYSA-N
-rxn:4:221975:224280,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(s6)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,YZNFVCSRPWNKAP-UHFFFAOYSA-N
-rxn:4:221975:224318,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,LAVFBHDWCPPNMT-UHFFFAOYSA-N
-rxn:4:221975:224371,COC(=O)C1CCN(c2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)cn2)CC1,CVENQZHXUWGDRW-UHFFFAOYSA-N
-rxn:4:221975:224488,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C(C)C)C(C)C)cc6)cc5)no4)C3C2=O)cc1,QMYKRICMCSGVOK-UHFFFAOYSA-N
-rxn:4:221975:224592,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7(C#N)CCCCC7)ccc6F)cc5)no4)C3C2=O)cc1,XWXHYIVIBLUJAB-UHFFFAOYSA-N
-rxn:4:221975:224620,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CO[Si](C)(C)C(C)(C)C)nc6)cc5)no4)C3C2=O)cc1,SKKFLHDAOWLPMX-UHFFFAOYSA-N
-rxn:4:221975:224646,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,FYEMNRJSKYTDMR-UHFFFAOYSA-N
-rxn:4:221975:224648,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6Cl)cc5)no4)C3C2=O)cc1,JMFDFKNNLXJYCV-UHFFFAOYSA-N
-rxn:4:221975:224679,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C(=O)N7CCCCC7)c6)cc5)no4)C3C2=O)cc1,FKTGKRJCTBJOJW-UHFFFAOYSA-N
-rxn:4:221975:224834,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(S(=O)(=O)N(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1,ZUPLZYWYPAQARN-UHFFFAOYSA-N
-rxn:4:221975:224877,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COC7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,GBIZXLNHOBZTSP-UHFFFAOYSA-N
-rxn:4:221975:224952,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,CYOWHQAQWPZOFP-UHFFFAOYSA-N
-rxn:4:221975:224965,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,JOVBDGWTYSFBQP-UHFFFAOYSA-N
-rxn:4:221975:224971,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,FKZMMDLGJUPMKE-UHFFFAOYSA-N
-rxn:4:221975:225106,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1Cl,CPDHYWWISOOWPZ-UHFFFAOYSA-N
-rxn:4:221975:225158,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCSCC7)cc6)cc5)no4)C3C2=O)cc1,ODNUKPAUHVAQQD-UHFFFAOYSA-N
-rxn:4:221975:225188,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,KVYCMWVTXGTCKQ-UHFFFAOYSA-N
-rxn:4:221975:225220,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7C)c(Cl)c6)cc5)no4)C3C2=O)cc1,BWWGXKMBBYKCLK-UHFFFAOYSA-N
-rxn:4:221975:225364,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N(C)C)c(C)cc6F)cc5)no4)C3C2=O)cc1,LUSZBXMTQGVHOH-UHFFFAOYSA-N
-rxn:4:221975:225520,CCCCOC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,CYNPRXNKKBDIBO-UHFFFAOYSA-N
-rxn:4:221975:225560,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOC7)c6)cc5)no4)C3C2=O)cc1,VICFXHOOZOIPBM-UHFFFAOYSA-N
-rxn:4:221975:225583,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,ANNSYFSFSHLVLQ-UHFFFAOYSA-N
-rxn:4:221975:225593,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCCC7)c6)cc5)no4)C3C2=O)cc1,NIXGCBPLYDFNJN-UHFFFAOYSA-N
-rxn:4:221975:225600,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccnc6OC6CCCCC6)cc5)no4)C3C2=O)cc1,PUDFHJKEGAGJAS-UHFFFAOYSA-N
-rxn:4:221975:225620,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,CSQDRMDLCMBQSY-UHFFFAOYSA-N
-rxn:4:221975:225641,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCCC(C)C7)c6)cc5)no4)C3C2=O)cc1,IUAAEAHBZMSLCP-UHFFFAOYSA-N
-rxn:4:221975:225713,CCOC(=O)COc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ZOASPKWMDADCRQ-UHFFFAOYSA-N
-rxn:4:221975:225728,CCCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)c1F,KGXZXVXQRDAETA-UHFFFAOYSA-N
-rxn:4:221975:225739,CCCCOc1c(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1F,IRRUQHGEHAZAJP-UHFFFAOYSA-N
-rxn:4:221975:225765,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(OCC(C)C)c6F)cc5)no4)C3C2=O)cc1,PSVYIKHVZARMNR-UHFFFAOYSA-N
-rxn:4:221975:225775,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(OC)c1C,PSYAANBMQIQPQO-UHFFFAOYSA-N
-rxn:4:221975:225916,COC(=O)c1cc(OC)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,YZUSFPMBFUQMFY-UHFFFAOYSA-N
-rxn:4:221975:226015,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)cc6OC(F)(F)F)cc5)no4)C3C2=O)cc1,DRQWRVCOEYXBQQ-UHFFFAOYSA-N
-rxn:4:221975:226523,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,GWDKDKRMHSHTBR-UHFFFAOYSA-N
-rxn:4:221975:226898,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(S(=O)(=O)N(C)C)nc6C)cc5)no4)C3C2=O)cc1,CSAFMMGNZCYQHJ-UHFFFAOYSA-N
-rxn:4:221977:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c(F)c2)CC1,VHXSLYVQYADUHV-UHFFFAOYSA-N
-rxn:4:221978:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)cc2F)CC1,SXIVMBXDIMTFGH-UHFFFAOYSA-N
-rxn:4:221981:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)c2)cc1F,SZNKDULGBUCZII-UHFFFAOYSA-N
-rxn:4:221982:222622,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,BWTGOQQOVBMJGN-UHFFFAOYSA-N
-rxn:4:221982:222676,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6CNC(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,PSCDWSVQVQHOTO-UHFFFAOYSA-N
-rxn:4:221982:222803,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,FWAHNXJUIPNTFQ-UHFFFAOYSA-N
-rxn:4:221982:222821,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(S(=O)(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,QWTJJXBUVFHCHE-UHFFFAOYSA-N
-rxn:4:221982:222826,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCNCC7)c6)cc5)no4)C3C2=O)cc1,JHHMPJWMMCVDAR-UHFFFAOYSA-N
-rxn:4:221982:222851,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)n1,GNLQXEDIKKLBOV-UHFFFAOYSA-N
-rxn:4:221982:222868,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6NC(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,AZNYTRFFXJOZEZ-UHFFFAOYSA-N
-rxn:4:221982:222924,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC(C)C,TVXAYBOWLRBQKZ-UHFFFAOYSA-N
-rxn:4:221982:222925,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,WBHAACYMKHCXGL-UHFFFAOYSA-N
-rxn:4:221982:222960,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCNCC2)c1,AXSXSNDETSBGAK-UHFFFAOYSA-N
-rxn:4:221982:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,WBMYWLHCIZUWOD-UHFFFAOYSA-N
-rxn:4:221982:222992,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7O)cc6)cc5)no4)C3C2=O)cc1,HJTHEZPQMIRMAP-UHFFFAOYSA-N
-rxn:4:221982:222998,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,DZQVPFNSLDKFCU-UHFFFAOYSA-N
-rxn:4:221982:223026,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1F,ZLPDHLMQRFTPOY-UHFFFAOYSA-N
-rxn:4:221982:223031,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(OC)c1,AYWRJUCYWZNOAK-UHFFFAOYSA-N
-rxn:4:221982:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,LDPOMTZHGOISNJ-UHFFFAOYSA-N
-rxn:4:221982:223084,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1,AMGIUUCYSFHQRW-UHFFFAOYSA-N
-rxn:4:221982:223120,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,BKZVGPLDXJRRDE-UHFFFAOYSA-N
-rxn:4:221982:223126,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)C7CC7)c6)cc5)no4)C3C2=O)cc1,JLRXGROPPDNNFC-UHFFFAOYSA-N
-rxn:4:221982:223131,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6)cc5)no4)C3C2=O)cc1,ULSULYNCOXFYOM-UHFFFAOYSA-N
-rxn:4:221982:223143,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC(O)C7)c6)cc5)no4)C3C2=O)cc1,MRJJADTUTAIAJF-UHFFFAOYSA-N
-rxn:4:221982:223147,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNCCO7)cc6)cc5)no4)C3C2=O)cc1,DCPYQMNLIALQSO-UHFFFAOYSA-N
-rxn:4:221982:223150,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(NCCN(C)C)c6)cc5)no4)C3C2=O)cc1,SQPAHEDSFLBBGH-UHFFFAOYSA-N
-rxn:4:221982:223574,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc5)no4)C3C2=O)cc1,JNCJJAGDRBWUJJ-UHFFFAOYSA-N
-rxn:4:221982:223793,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)ccc6OCc6ccccc6)cc5)no4)C3C2=O)cc1,PGWDBNXJZCTYSA-UHFFFAOYSA-N
-rxn:4:221982:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c2)CC1,WGQUNXYULMKTFM-UHFFFAOYSA-N
-rxn:4:221982:223975,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(=O)OC(C)(C)C)c7ccc(Cl)nc67)cc5)no4)C3C2=O)cc1,QRBVJLIKRBZVFE-UHFFFAOYSA-N
-rxn:4:221982:223996,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,AETWLAGBWRVRDP-UHFFFAOYSA-N
-rxn:4:221982:224087,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCCCC7)c6)cc5)no4)C3C2=O)cc1,ZUARXOBMUGEQEF-UHFFFAOYSA-N
-rxn:4:221982:224088,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCCCCC7)cc6)cc5)no4)C3C2=O)cc1,HEJQOCQEBFTZTK-UHFFFAOYSA-N
-rxn:4:221982:224153,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1,LUZYDZWHALBQCZ-UHFFFAOYSA-N
-rxn:4:221982:224317,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,KOEVWEXUZYIPSV-UHFFFAOYSA-N
-rxn:4:221982:224492,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CCC(=O)N7CCCC7)cc6)cc5)no4)C3C2=O)cc1,FBNPHDWLMOGMNO-UHFFFAOYSA-N
-rxn:4:221982:224497,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2)CC1,KGLIYROVMYFSEG-UHFFFAOYSA-N
-rxn:4:221982:224670,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CN7CCN(C)CC7)ccc6F)cc5)no4)C3C2=O)cc1,GMXNWDOWUWIMFD-UHFFFAOYSA-N
-rxn:4:221982:224818,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCSCC7)cc6)cc5)no4)C3C2=O)cc1,BZTROGUVBFSLTL-UHFFFAOYSA-N
-rxn:4:221982:224964,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COC7CCOCC7)cc6)cc5)no4)C3C2=O)cc1,ZTQJIWLWSRVXSQ-UHFFFAOYSA-N
-rxn:4:221982:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,PTZZWQGUSJCLLO-UHFFFAOYSA-N
-rxn:4:221982:225157,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCSCC7)c6)cc5)no4)C3C2=O)cc1,FJEYHQVDODPJLD-UHFFFAOYSA-N
-rxn:4:221982:225166,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1,FBCSMILTTNMMJV-UHFFFAOYSA-N
-rxn:4:221982:225171,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,IAOWSAAITSFXJF-UHFFFAOYSA-N
-rxn:4:221982:225297,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,DTYTUSCKHYATII-UHFFFAOYSA-N
-rxn:4:221982:225308,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cc(C7CC7)c6Cl)cc5)no4)C3C2=O)cc1,FAHHWDFTRIIYLN-UHFFFAOYSA-N
-rxn:4:221982:225336,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1,KVFZMWAYKLYSOS-UHFFFAOYSA-N
-rxn:4:221982:225377,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)F)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,LRPZJQAJFMXBLX-UHFFFAOYSA-N
-rxn:4:221982:225395,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,GAHLVYRBQRAQEK-UHFFFAOYSA-N
-rxn:4:221982:225447,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,CPLROVGKVUZCHD-UHFFFAOYSA-N
-rxn:4:221982:225603,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C#N)CCC7)c6F)cc5)no4)C3C2=O)cc1,MOYBDJKLSCVCKW-UHFFFAOYSA-N
-rxn:4:221982:225616,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6C(=O)N6CCCC6)cc5)no4)C3C2=O)cc1,JOIYMFGYABBNMP-UHFFFAOYSA-N
-rxn:4:221982:225633,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCCC7)nc6)cc5)no4)C3C2=O)cc1,NELHSANQMMXYJO-UHFFFAOYSA-N
-rxn:4:221982:225688,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,SBRIMRMRZHQXTL-UHFFFAOYSA-N
-rxn:4:221982:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,XXMJGBSRQPJRJE-UHFFFAOYSA-N
-rxn:4:221982:225831,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cnc1N1CCOCC1,KXJWETAUGYNVJX-UHFFFAOYSA-N
-rxn:4:221982:225871,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7C(=O)C=CC7=O)c6)cc5)no4)C3C2=O)cc1,ISOIQHHIPCQOOO-UHFFFAOYSA-N
-rxn:4:221982:226011,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OCC(F)(F)F)cc5)no4)C3C2=O)cc1,NDKVMLBWAIHUPC-UHFFFAOYSA-N
-rxn:4:221982:226050,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(OC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1,XIPKJYNLRTUFNR-UHFFFAOYSA-N
-rxn:4:221982:226267,COCCOc1ccc(C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,BWBLDUYQOLONLQ-UHFFFAOYSA-N
-rxn:4:221982:226335,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,WVCKUYPSZWARDA-UHFFFAOYSA-N
-rxn:4:221982:226345,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C)cc1C,JWJQDXDAAUCMKF-UHFFFAOYSA-N
-rxn:4:221982:226490,COCCOc1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,HCNBKJDSFKATNV-UHFFFAOYSA-N
-rxn:4:221982:226675,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCCC7)nc6Cl)cc5)no4)C3C2=O)cc1,NZRRHOBNIYKRJA-UHFFFAOYSA-N
-rxn:4:221982:226725,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,ZDLGGKAEXCXXFA-UHFFFAOYSA-N
-rxn:4:221982:226761,CSc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,GFFYTXSIYOJQJC-UHFFFAOYSA-N
-rxn:4:221982:226768,CSc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,DXZBVWKYKFPFJT-UHFFFAOYSA-N
-rxn:4:221982:226792,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,TXJGZCNDCVMDCN-UHFFFAOYSA-N
-rxn:4:221982:226831,CCCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,AFOQRTYYSZINPB-UHFFFAOYSA-N
-rxn:4:221982:226851,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)cn1,SXYGBWWLNAXSPP-UHFFFAOYSA-N
-rxn:4:221982:226857,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC(F)(F)F)ccc6F)cc5)no4)C3C2=O)cc1,MAOIMRIXQFUARM-UHFFFAOYSA-N
-rxn:4:221982:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,GKJWAALMJCSFCC-UHFFFAOYSA-N
-rxn:4:221982:227610,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccn(C7CCCCO7)n6)cc5)no4)C3C2=O)cc1,CPVYEEUBODYDCC-UHFFFAOYSA-N
-rxn:4:222044:223489,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cc4)CC3)nn2)n1,FNVWAZQXGAIFOV-UHFFFAOYSA-N
-rxn:4:222054:227023,CC(c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc1)N(C)C,GJKRKXYTDWGSOZ-UHFFFAOYSA-N
-rxn:4:222056:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)c2)C1,HHNRXTPNRFRXHY-UHFFFAOYSA-N
-rxn:4:222062:222961,CCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,AETLMVDTDHLDAM-UHFFFAOYSA-N
-rxn:4:222083:224760,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5)c4)no3)C2C(=O)N1c1ccccc1,OCXFSOXZDNEMOJ-UHFFFAOYSA-N
-rxn:4:222089:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,CVULXEBITRCIHO-UHFFFAOYSA-N
-rxn:4:222089:222705,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,QXFCMOGRLVRVIO-UHFFFAOYSA-N
-rxn:4:222089:222721,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCNCC6)nc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GOSHAQQQTWMKAF-UHFFFAOYSA-N
-rxn:4:222089:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,BFSTYFZLJRUWNG-UHFFFAOYSA-N
-rxn:4:222089:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,ZPGRJKJRAVXKFR-UHFFFAOYSA-N
-rxn:4:222089:222947,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cnc(N6CCCC(O)C6)nc5Cl)cc4)no3)C2C(=O)N1c1ccc(F)cc1,DKUDVRZNFHYTGV-UHFFFAOYSA-N
-rxn:4:222089:223539,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KMQQYEQGLOOIFF-UHFFFAOYSA-N
-rxn:4:222089:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc2OC(F)(F)F)CC1,PMPYGDGNUCFVQY-UHFFFAOYSA-N
-rxn:4:222089:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)C1,KOCGRVJMHWJIIJ-UHFFFAOYSA-N
-rxn:4:222089:223754,CC1CCN(CCCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,DHYFHDLYDHTAAG-UHFFFAOYSA-N
-rxn:4:222089:223840,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,DRPBALQEHQLYRE-UHFFFAOYSA-N
-rxn:4:222089:224125,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCN(C7CC7)CC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,DJTIYOKSOBBACJ-UHFFFAOYSA-N
-rxn:4:222089:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,FHKKJBVWPFZQAP-UHFFFAOYSA-N
-rxn:4:222089:224285,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCOCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GKJCCGGOYNAWKX-UHFFFAOYSA-N
-rxn:4:222089:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,TZLFNSUXOWSKGD-UHFFFAOYSA-N
-rxn:4:222089:224336,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCCCC6)cc5C(F)(F)F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YXCRZGSZQFIJJB-UHFFFAOYSA-N
-rxn:4:222089:224352,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C6CCCOC6)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,OMYQVHDWIPQBKQ-UHFFFAOYSA-N
-rxn:4:222089:224399,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCOCC6)cc5C(F)(F)F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FLNWSNWTSAZJJD-UHFFFAOYSA-N
-rxn:4:222089:224481,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,MLOYKSCUVOLEMC-UHFFFAOYSA-N
-rxn:4:222089:224593,CC1CCN(Cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccc2F)CC1,QGNRIXZXAKWMQR-UHFFFAOYSA-N
-rxn:4:222089:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,GQKWTDCSCWIDLC-UHFFFAOYSA-N
-rxn:4:222089:224615,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCCN6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,RMLVICHLEOMPLC-UHFFFAOYSA-N
-rxn:4:222089:224672,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(Cl)c2)CC1,RRAIFALTNGZAPW-UHFFFAOYSA-N
-rxn:4:222089:224680,O=C(c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCCCC1,AGBCFPSMRARGCW-UHFFFAOYSA-N
-rxn:4:222089:224746,CC(=O)N1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cn2)CC1,HXUCVLORXQFYJW-UHFFFAOYSA-N
-rxn:4:222089:224762,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F)N1CCOCC1,KJYWECDQBAJBLI-UHFFFAOYSA-N
-rxn:4:222089:224824,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6OCCO6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,QJWQPAHCLMDPFD-UHFFFAOYSA-N
-rxn:4:222089:224868,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCC6CCCCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,OPCARGFQBUGWRB-UHFFFAOYSA-N
-rxn:4:222089:224885,CC1CCN(Cc2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)CC1,LFKLVAPTIOCQFU-UHFFFAOYSA-N
-rxn:4:222089:224975,CCN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,FFVJPTWUIIAYMY-UHFFFAOYSA-N
-rxn:4:222089:225086,CN(C)CCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1Cl,GCBQLOROOJUQRL-UHFFFAOYSA-N
-rxn:4:222089:225090,CCOCc1cc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(OC)c1,GFSAEUQUFKLKNU-UHFFFAOYSA-N
-rxn:4:222089:225112,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(Cl)c1OC(C)C,DDPZUOLMWADOLJ-UHFFFAOYSA-N
-rxn:4:222089:225199,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)c(OC6CCCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,XMJDQNHXYFOSAS-UHFFFAOYSA-N
-rxn:4:222089:225300,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OC6CCOCC6)nc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SVUSSWLJZGYXFF-UHFFFAOYSA-N
-rxn:4:222089:225351,COC(=O)c1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cccc1C(F)(F)F,URENEPULTPLADG-UHFFFAOYSA-N
-rxn:4:222089:225374,COc1cc(OC(F)(F)F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F,IDZFHOSTGWVEHM-UHFFFAOYSA-N
-rxn:4:222107:224683,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(F)cc(C(=O)N7CCCCC7)c6)c5)no4)C3C2=O)cc1F,KNLGRDGSNXLJLN-UHFFFAOYSA-N
-rxn:4:222108:222776,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)cc6F)cc5)no4)C3C2=O)cc1F,UIFCZZBNKIFKDK-UHFFFAOYSA-N
-rxn:4:222108:225731,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(OC)c1,SHSGSTUKNKRHGI-UHFFFAOYSA-N
-rxn:4:222120:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,JMLNCMAYQLQNGC-UHFFFAOYSA-N
-rxn:4:222156:222602,CC(C)Cc1cc(-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,XJGVNKJXTHGJJF-UHFFFAOYSA-N
-rxn:4:222162:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)CC1,NIPQZFZLRNWPPA-UHFFFAOYSA-N
-rxn:4:222169:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C)n5)CC4)nc3)cn2)CC1,UASICATWDJWQPN-UHFFFAOYSA-N
-rxn:4:222192:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)c1,YLWGIJLELWJHER-UHFFFAOYSA-N
-rxn:4:222203:225090,CCOCc1cc(OC)c(-c2cncc(C(=O)N3CCN(c4nccn5nc6c(c45)CCCC6)CC3)c2)c(OC)c1,XRAREBNGNSMZAT-UHFFFAOYSA-N
-rxn:4:222320:222389,CN(C)c1ccnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,CIJRVNCGSVMUNF-UHFFFAOYSA-N
-rxn:4:222335:222433,Cc1cc(N2CCN(c3ncc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cn3)CC2)nc(N2CCCC2)n1,DZYNPNUBDHRJNH-UHFFFAOYSA-N
-rxn:4:222338:222674,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cccc(C(=O)NC5CCCCC5)c4F)cn3)CC2)n1,UXBBFFXWUCHHRK-UHFFFAOYSA-N
-rxn:4:222338:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)nc3)cn2)CC1,RKMODMKTIFZOBV-UHFFFAOYSA-N
-rxn:4:222349:222699,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6ccc(C7CCCNC7)c(C(F)(F)F)c6)c5)CC4C3)ncnc21,IULYLMXIUTYABA-UHFFFAOYSA-N
-rxn:4:222380:222635,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc([C@H](C)NC(=O)OC(C)(C)C)c6)cn5)CC4C3)ncnc21,KAAJCUDHYNIZJN-HLJPNSHOSA-N
-rxn:4:222389:206504,Clc1nc(OC2CCCCC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,LVWGQDHEYHSSRP-UHFFFAOYSA-N
-rxn:4:222389:214666,Cc1noc(C2CN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)C2)n1,KISQIJRIHUNLSP-UHFFFAOYSA-N
-rxn:4:222442:185013,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,VCVHGKFRIJOWLY-UHFFFAOYSA-N
-rxn:4:222450:216356,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)c2)cc1,MZAQIFOJZLFZIJ-UHFFFAOYSA-N
-rxn:4:222451:216356,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)cc2)cc1,XIYAOEZMVWYGRP-UHFFFAOYSA-N
-rxn:4:222481:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)Nc5cc(C)ccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NMEIGBBCATVRRB-UHFFFAOYSA-N
-rxn:4:222521:216356,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c4)ccc2OC32CCN(C)CC2)cc1,RGAZFASNZKTNNC-UHFFFAOYSA-N
-rxn:4:222601:185417,CC(C)c1ccc(N(C(=O)c2ccc(-c3cccc4sc(NC(=O)OC(C)(C)C)nc34)cc2)C2C=CS(=O)(=O)C2)cc1,YELPEOQZWNQLEY-UHFFFAOYSA-N
-rxn:4:222613:176182,CCCNS(=O)(=O)c1ccc(-c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(F)(F)F)c1,QHKDZQVWYJUDRA-UHFFFAOYSA-N
-rxn:4:222613:185449,CCCNS(=O)(=O)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c(C(F)(F)F)c1,XLNHKJRKLQTIIC-UHFFFAOYSA-N
-rxn:4:222613:194539,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)c(C(F)(F)F)c1,AUZWPDQVIYDVID-UHFFFAOYSA-N
-rxn:4:222621:214744,CC(C)Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cc2C#N)cc(C2CCCNC2)n1,UBSIVOLPDLXSAV-UHFFFAOYSA-N
-rxn:4:222632:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZVZXOBUAECMLDB-UHFFFAOYSA-N
-rxn:4:222791:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YCCVSXXLYSNDMO-UHFFFAOYSA-N
-rxn:4:222801:216356,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C)c(S(=O)(=O)NC(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,SZSJOPCVBRALBT-UHFFFAOYSA-N
-rxn:4:222921:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC(C)C)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FOLSKJKERFOGAX-UHFFFAOYSA-N
-rxn:4:222940:178381,CC(C)(C)NS(=O)(=O)c1cncc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,LHOQNGNKCXDIAN-UHFFFAOYSA-N
-rxn:4:222941:203937,CONS(=O)(=O)c1c(C)cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1C,YGIRXIQGINFYIG-UHFFFAOYSA-N
-rxn:4:222960:187230,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(C3CCNCC3)c2)CC1,DEHGRHJYGABUCX-UHFFFAOYSA-N
-rxn:4:223061:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XETXNKMWGQYASS-UHFFFAOYSA-N
-rxn:4:223071:204114,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1,JFNGPKZOCIEAEL-UHFFFAOYSA-N
-rxn:4:223080:184053,CC(C)NS(=O)(=O)c1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1,HRXMFDWPCBDRSL-UHFFFAOYSA-N
-rxn:4:223490:215750,Cc1ccc(-c2nc(-c3cnc(C4CCC4)nc3)cs2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GEIPHDJUIORXAX-UHFFFAOYSA-N
-rxn:4:223580:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2cc(C(=O)OC)ccc2n1C(=O)OC(C)(C)C,HXNWNTNWFNRYCC-UHFFFAOYSA-N
-rxn:4:223581:174653,COC(=O)c1cccc2cc(-c3ccc4c(c3)[C@@H](c3cc(OC)cc(OC)c3)[C@@H](c3ccc(OC)cc3)O4)n(C(=O)OC(C)(C)C)c12,CSKJGBHEGUGUJX-VLZNPVHKSA-N
-rxn:4:223582:174497,COC(=O)c1ccc2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(OC)cc4)c3)n(C(=O)OC(C)(C)C)c2c1,QMIDRJHYGLDAEI-UHFFFAOYSA-N
-rxn:4:223970:189356,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,FCVXZOKLQIXALJ-UHFFFAOYSA-N
-rxn:4:224953:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC5CCCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MXJWVRHARZVABV-UHFFFAOYSA-N
-rxn:5:177180:222987:223065,CCOC(=O)c1c(C)cc(-c2ccc(C3CCNCC3)nc2C)cc1-c1ccc(N2CCNCC2)cc1F,MRWOSZBKACHDSX-UHFFFAOYSA-N
-rxn:5:177184:223010:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2(O)CCOCC2)cc1,MPLUIEQUEAZAPK-UHFFFAOYSA-N
-rxn:5:177186:223065:226661,CCOC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(N3CCNCC3)cc2F)cc1C,KNCKUERBUOKDDF-UHFFFAOYSA-N
-rxn:5:177189:223063:223064,CCOC(=O)c1c(-c2cc(F)nc(C3CCNCC3)c2)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,UZXYSLUVIBMMLQ-UHFFFAOYSA-N
-rxn:5:177190:223140:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCCNC3)c2)c1,HZRJPBNYKNQKJS-UHFFFAOYSA-N
-rxn:5:177190:225805:226643,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,GBQZCVCELBEULR-UHFFFAOYSA-N
-rxn:5:177373:225925:226685,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1OCC1OCCO1,FXPSLBLLHFMYQF-UHFFFAOYSA-N
-rxn:5:177729:225439:223065,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCNCC4)cc3F)c2)c1)N1CCCC1,UPNGRQLEBCFNBG-UHFFFAOYSA-N
-rxn:5:177730:223065:226330,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,WTDJILAVQAMYPO-UHFFFAOYSA-N
-rxn:5:177732:223056:225849,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1,BBYXULQMISZYFB-UHFFFAOYSA-N
-rxn:5:177732:223065:225439,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCNCC3)cc2F)c1)N1CCCC1,KAIXPJBJGNXONW-UHFFFAOYSA-N
-rxn:5:177732:223294:225980,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCOCC3)ncc2F)c1,TZPIEGCDEHULSQ-UHFFFAOYSA-N
-rxn:5:177732:225439:223001,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(C3CCCNC3)ccc2F)c1)N1CCCC1,RXZGVLDOOVXUST-UHFFFAOYSA-N
-rxn:5:177732:225784:225833,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccnc(N3CCCCC3)c2F)c1,MOODZNUAUOLPAL-UHFFFAOYSA-N
-rxn:5:177732:226330:226658,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCCC3)nc2F)s1)N1CCCC1,IBZWRASLDJTLKF-UHFFFAOYSA-N
-rxn:5:177733:223054:223199,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C4CCNC4)c3)c2)s1)N1CCC(O)C1,IFXPWBRJBDHMDR-UHFFFAOYSA-N
-rxn:5:177734:223113:226661,Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,YDVLNILXLHWGQW-UHFFFAOYSA-N
-rxn:5:177736:223065:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCC1,ZREDJCFIRZBABD-UHFFFAOYSA-N
-rxn:5:177736:225982:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCC1,QCZIVGYHUZTQDY-UHFFFAOYSA-N
-rxn:5:177850:225986:227085,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCCC2)nc1,MJXYEJYOHRBVLE-UHFFFAOYSA-N
-rxn:5:177851:222409:226572,CCOc1c(-c2cnc(OC3CCCC3)nc2)cc(C2OCCO2)cc1-c1ccc(OC)c(S(N)(=O)=O)c1,JXIMVKIMQLNRFS-UHFFFAOYSA-N
-rxn:5:177851:223139:225926,CCOc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2CCNCC2)nc1,AAGROTQFIONQRA-UHFFFAOYSA-N
-rxn:5:177851:226053:226662,CCOc1c(-c2ccc(N3CCN(C)CC3)s2)cc(C2OCCO2)cc1-c1ccc(F)c(OC(F)(F)F)c1F,NHOHPBVOMYSIEC-UHFFFAOYSA-N
-rxn:5:177891:223146:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cccc(C2CNCCO2)c1,VDPUNXCAPZJYIC-UHFFFAOYSA-N
-rxn:5:177891:223286:226366,CS(=O)(=O)Nc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(N3CCCCC3)c2)c1,BZXZTDVPHZOMAB-UHFFFAOYSA-N
-rxn:5:177891:223286:227119,CS(=O)(=O)Nc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C3CCCCC3)cs2)c1,BRBMVXAKZWYUQG-UHFFFAOYSA-N
-rxn:5:177891:225514:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc2c1OCC1(CC1)CO2,XBNMVKVIRLHPRY-UHFFFAOYSA-N
-rxn:5:177891:225633:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCCC3)nc2)ccc1C1COC1,FRSUWVDZDWBKAD-UHFFFAOYSA-N
-rxn:5:177891:225784:228705,CN(C)c1ncccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(CN2CCOCC2)nc1,SEBZKOGJSFWEMV-UHFFFAOYSA-N
-rxn:5:177891:225798:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOCC3)nc2)ccn1,BSRUBOGGPIZGJZ-UHFFFAOYSA-N
-rxn:5:177891:225803:228623,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCC1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,GCMSHWCGAICAPL-UHFFFAOYSA-N
-rxn:5:177891:226366:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1ccnc(N2CCCCC2)c1,FQELWCGTCVSDNH-UHFFFAOYSA-N
-rxn:5:177891:226447:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOCC3)c2)ccn1,XNDLUBPOQSMHSM-UHFFFAOYSA-N
-rxn:5:177891:226643:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VGNFFHVHQAHSFL-UHFFFAOYSA-N
-rxn:5:177891:226662:227449,CN1CCN(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc(C4CCOCC4)s3)s2)CC1,HQMGFVJLAHOSSU-UHFFFAOYSA-N
-rxn:5:177891:227437:225465,CN1CCC(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCO4)c3)c2)CC1,PRFIMZONFFUOAD-UHFFFAOYSA-N
-rxn:5:177891:227449:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,HWRHICIMIPNSGR-UHFFFAOYSA-N
-rxn:5:177891:227517:223132,O=C(SC1CS(=O)(=O)CC1c1cccc(N2CCNCC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,VXZVASDVOIADFC-UHFFFAOYSA-N
-rxn:5:177891:227517:227404,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCCC2)cs1)c1ccccc1-c1ccc(OC2COC2)nc1,NLSLSGNWCSHOJL-UHFFFAOYSA-N
-rxn:5:177891:227656:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(N2CCOCC2)cs1,IRVWICICPXCAMN-UHFFFAOYSA-N
-rxn:5:177891:228965:225639,CC1CCN(c2ncccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc([N+](=O)[O-])nc2)CC1,SDOHXKMYOSAOFA-UHFFFAOYSA-N
-rxn:5:178118:222959:227505,Cc1cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCO2)ccc1C1CCNCC1,BNZSIRDACLJCEC-OBGWFSINSA-N
-rxn:5:178119:223281:222988,Cc1cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2ccc(C3(O)COC3)nc2)cc(C2CCNCC2)n1,MWUSQHBWWZRMHM-UHFFFAOYSA-N
-rxn:5:178120:226761:222988,CSc1ccc(-c2cccc(OCC3CCOCC3)c2-c2cc(C)nc(C3CCNCC3)c2)c(C(F)(F)F)c1,XINJNOQBRNQWFM-UHFFFAOYSA-N
-rxn:5:178224:225661:223267,CNC(=O)c1ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(N4CCOCC4)cc3C)c2)cc1F,BFWHNJLFTFVNGR-UHFFFAOYSA-N
-rxn:5:178225:226652:227501,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C=C[N+](=O)[O-])cc2)n(C2CCCCO2)n1,GKTONUMTGQNSDN-UHFFFAOYSA-N
-rxn:5:178225:226652:227505,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(/C=C/[N+](=O)[O-])cc2)n(C2CCCCO2)n1,GKTONUMTGQNSDN-ISLYRVAYSA-N
-rxn:5:178295:223112:225871,COC(=O)C1(c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2-c2c(C(C)C)ccc3[nH]ncc23)CCC(=O)CC1,OCHAETFQWIBQBU-UHFFFAOYSA-N
-rxn:5:178295:223230:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,GGPXJXQVTPNWKF-UHFFFAOYSA-N
-rxn:5:178295:223270:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,INVFOHUZAMQSNW-UHFFFAOYSA-N
-rxn:5:178295:223270:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(F)cc2NC(C)=O)c(C2(C(=O)OC)CCC(=O)CC2)c1,LZEXDIWFKXPIPZ-UHFFFAOYSA-N
-rxn:5:178295:223285:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,ANGHGJWJTJHCFI-UHFFFAOYSA-N
-rxn:5:178295:225407:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ZFGKHUCJKYPGGM-UHFFFAOYSA-N
-rxn:5:178295:225451:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(SC3CCCCC3)cc2)CCC(=O)CC1,LFBUEOSJNRKWHS-UHFFFAOYSA-N
-rxn:5:178295:225514:228179,COCc1cc(F)cc(-c2ccc(-c3cccc4c3OCC3(CC3)CO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KGZCKOAGRWXCCH-UHFFFAOYSA-N
-rxn:5:178295:226058:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,YLJXSFDHTSUZSP-UHFFFAOYSA-N
-rxn:5:178295:226058:228915,COC(=O)C1(c2cc(-c3cc(OC)cnc3F)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,NRZCSCWJOCYIED-UHFFFAOYSA-N
-rxn:5:178295:226059:227705,COC(=O)C1(c2cc(-c3cnc(C(F)F)cc3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,DQSSKUFMOLBNQJ-UHFFFAOYSA-N
-rxn:5:178295:226064:228516,CCc1cc(C)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XBDPGVIPZFFCMM-UHFFFAOYSA-N
-rxn:5:178295:226068:228586,COC(=O)C1(c2cc(-c3cccnc3C(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,OLXUIQXQQLNNSU-UHFFFAOYSA-N
-rxn:5:178295:226069:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cccc(C3CCCCC3)c2)CCC(=O)CC1,AMJQJQBMZMQNPT-UHFFFAOYSA-N
-rxn:5:178295:226069:228697,COCc1cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,JFXWKQIFVZFDDU-UHFFFAOYSA-N
-rxn:5:178295:226070:226450,COC(=O)C1(c2cc(-c3cccc(C4(C)OCCO4)c3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,WCSJMKHHENCBNF-UHFFFAOYSA-N
-rxn:5:178295:226085:227046,COC(=O)C1(c2cc(-c3cc(C)cc(OC(C)C)c3)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,MIPILPMOGJTHBC-UHFFFAOYSA-N
-rxn:5:178295:226140:228119,COC(=O)C1(c2cc(-c3ccc(SC(C)C)nc3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,RHTGLJGONWTBHQ-UHFFFAOYSA-N
-rxn:5:178295:226140:228540,COC(=O)C1(c2cc(-c3cccc4c3COC4)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,AQEXHZSWERUHGA-UHFFFAOYSA-N
-rxn:5:178295:226144:228555,COCc1ccccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PBEODSIMLUGMFG-UHFFFAOYSA-N
-rxn:5:178295:226145:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccc(OC3CCCC3)cc2)CCC(=O)CC1,GGOFIMKBHDNRFA-UHFFFAOYSA-N
-rxn:5:178295:226154:228583,COC(=O)C1(c2cc(-c3ccnc(C(C)C)c3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,DMJOTPXMWYVLNB-UHFFFAOYSA-N
-rxn:5:178295:226199:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(cnn3C(C)C)c2)CCC(=O)CC1,STZDQWDQYPKGIG-UHFFFAOYSA-N
-rxn:5:178295:226211:228617,COC(=O)C1(c2cc(-c3c(C)cccc3OC)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,GOGSJFNZFHNDIA-UHFFFAOYSA-N
-rxn:5:178295:226322:228827,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,ZJRUKRRKDAFWIA-UHFFFAOYSA-N
-rxn:5:178295:226345:228512,CC#Cc1cccc(-c2ccc(-c3cc(C(=O)OC)c(C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QNAYNWQKSZRNEE-UHFFFAOYSA-N
-rxn:5:178295:226461:226334,COC(=O)C1(c2cc(-c3cc(C)cc(C(=O)N(C)C)c3)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,XBGZCQJRORFJIQ-UHFFFAOYSA-N
-rxn:5:178295:226576:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,BVHZFLKSOSRFEW-UHFFFAOYSA-N
-rxn:5:178295:226580:228615,COC(=O)C1(c2cc(-c3cc(C)ccc3SC)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,PULBGQYOAKKYCO-UHFFFAOYSA-N
-rxn:5:178295:226582:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NDOOIMSQABPLSI-UHFFFAOYSA-N
-rxn:5:178295:226603:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DDGKQABLVRVFAF-UHFFFAOYSA-N
-rxn:5:178295:226772:228517,CC#Cc1ccccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HZGUMCRPXOXKCY-UHFFFAOYSA-N
-rxn:5:178295:226772:228766,CCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,JCHFRGIOQLDNAE-UHFFFAOYSA-N
-rxn:5:178295:226907:228401,COC(=O)C1(c2cc(-c3c(F)ccc(F)c3OC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,FGERQBUOFKRGLR-UHFFFAOYSA-N
-rxn:5:178295:226910:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,AAMSGOLTMBGQGP-UHFFFAOYSA-N
-rxn:5:178295:226910:228005,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C)c(SC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,RCRULIKRVPQBNH-UHFFFAOYSA-N
-rxn:5:178295:226912:227899,CCC#Cc1cncc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HHRZEYUYLUKHAE-UHFFFAOYSA-N
-rxn:5:178295:226914:227863,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCO4)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,PXERYKJUXGVXBC-UHFFFAOYSA-N
-rxn:5:178295:226916:227312,CCC(C)c1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,CHPCBGYYEOPVEV-UHFFFAOYSA-N
-rxn:5:178295:226920:227943,COC(=O)C1(c2cc(-c3cc(C)ccc3N(C)C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,CZTWVGFETRJIOT-UHFFFAOYSA-N
-rxn:5:178295:226921:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(C3CC3)c(C)cc2C)CCC(=O)CC1,VZRHRYNTYZMJTD-UHFFFAOYSA-N
-rxn:5:178295:226924:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C)cc(C4CC4)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YWZLGOPBCNVWSZ-UHFFFAOYSA-N
-rxn:5:178295:226926:223421,CNC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,MHERNDARCRTKNO-UHFFFAOYSA-N
-rxn:5:178295:226926:227976,COC(=O)C1(c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,LEQLWOCZFFRXGM-UHFFFAOYSA-N
-rxn:5:178295:226959:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,OKOKTVRTCNHNFS-UHFFFAOYSA-N
-rxn:5:178295:226974:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,IREVXOGJFXEMIJ-UHFFFAOYSA-N
-rxn:5:178295:227039:228113,CCc1nc(OC)ccc1-c1ccc(-c2ccc(OC(C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,AGXYRMPMDWYXMI-UHFFFAOYSA-N
-rxn:5:178295:227041:227823,CCOc1cc(C)c(-c2ccc(-c3ccccc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,RUKVSKBHAJEXNF-UHFFFAOYSA-N
-rxn:5:178295:227045:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,TUHCSRFYHCLMQV-UHFFFAOYSA-N
-rxn:5:178295:227052:223359,CNCc1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,FTQGYWZJOILCKU-UHFFFAOYSA-N
-rxn:5:178295:227063:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C)cc2OC(C)C)CCC(=O)CC1,WCBUHARIDRNYTJ-UHFFFAOYSA-N
-rxn:5:178295:227068:228562,CCC(C)c1csc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WVRKSEBGHLRGLD-UHFFFAOYSA-N
-rxn:5:178295:227069:227315,COC(=O)C1(c2cc(-c3cnc(CC(C)C)cc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,FRWGVELGBQHISR-UHFFFAOYSA-N
-rxn:5:178295:227069:227904,CCN(C)c1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NAJPZVLNJSOOAQ-UHFFFAOYSA-N
-rxn:5:178295:227071:225498,COCc1cc(C)c(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,BSDOUHJFQASYBE-UHFFFAOYSA-N
-rxn:5:178295:227071:227530,COCc1cc(C)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,MPFXJKQXZGMYAY-UHFFFAOYSA-N
-rxn:5:178295:227071:227830,COCc1cc(C)c(-c2ccc(-c3ccc(C4(C)CC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VBFRBYLCPPTYPS-UHFFFAOYSA-N
-rxn:5:178295:227071:227935,CCc1cc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,CATAOWIHZVXVAM-UHFFFAOYSA-N
-rxn:5:178295:227074:227922,CCOc1c(C)cc(C)cc1-c1ccc(-c2ccc(OC)cc2CC)cc1C1(C(=O)OC)CCC(=O)CC1,CMKAIGMGQIZBTE-UHFFFAOYSA-N
-rxn:5:178295:227075:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,OVASMPKVZVLPLI-UHFFFAOYSA-N
-rxn:5:178295:227077:223231,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)NC)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,CLZIDUVPFLRPFE-UHFFFAOYSA-N
-rxn:5:178295:227079:227903,CCN(C)c1cccc(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RCGDEAAKVRRYKT-UHFFFAOYSA-N
-rxn:5:178295:227084:227288,COC(=O)C1(c2cc(-c3ccccc3C(=O)N(C)C)ccc2-c2ccc(C(C)(C)C)nc2C)CCC(=O)CC1,AJEOFKMBGJZVHM-UHFFFAOYSA-N
-rxn:5:178295:227103:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2sccc2C2CCCCC2)CCC(=O)CC1,ROVKSKDXCXKAEW-UHFFFAOYSA-N
-rxn:5:178295:227103:228177,COCc1ccc(F)cc1-c1ccc(-c2sccc2C2CCCCC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RGRIHSXZLLTZPK-UHFFFAOYSA-N
-rxn:5:178295:227124:228142,CCCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,XNKSZCXLMYPTKA-UHFFFAOYSA-N
-rxn:5:178295:227209:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,QPKUHESFFRFTFD-UHFFFAOYSA-N
-rxn:5:178295:227286:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,ZMRAYUQMUHMVJC-UHFFFAOYSA-N
-rxn:5:178295:227287:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,STLOBROCXODBRQ-UHFFFAOYSA-N
-rxn:5:178295:227287:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,QOBNGNMFSZNBBP-UHFFFAOYSA-N
-rxn:5:178295:227309:227953,CCC(C)c1cc(-c2ccc(-c3ccc(N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AONKQVLGQTXYHG-UHFFFAOYSA-N
-rxn:5:178295:227309:228318,CCC(C)c1cc(-c2ccc(-c3cnccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,OLMOUTISHAYTHS-UHFFFAOYSA-N
-rxn:5:178295:227311:226971,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4c(c3)CCCOC4)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,GAAXDQZRPFUXKJ-UHFFFAOYSA-N
-rxn:5:178295:227312:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WLMAVRBKNYVBAK-UHFFFAOYSA-N
-rxn:5:178295:227312:228149,CCC(C)c1ccc(-c2ccc(-c3ccccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,RZQCVETYVMQQPY-UHFFFAOYSA-N
-rxn:5:178295:227313:227108,CCC(C)c1cc(-c2ccc(-c3cc(C4CCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,WAILCWINOHQLPS-UHFFFAOYSA-N
-rxn:5:178295:227317:227810,CCC(C)c1ccc(-c2ccc(-c3ccnc(OC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,OVHWZITURSKNEF-UHFFFAOYSA-N
-rxn:5:178295:227329:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,VZRNHBNIQBYSQB-UHFFFAOYSA-N
-rxn:5:178295:227346:227932,CCCc1cc(F)c(-c2ccc(-c3cc(COC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,XFVABMHZJLQTDI-UHFFFAOYSA-N
-rxn:5:178295:227409:228564,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,OILDPYIWUKYZQU-UHFFFAOYSA-N
-rxn:5:178295:227525:228178,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(COC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,FKABKPNHUPGVSC-UHFFFAOYSA-N
-rxn:5:178295:227540:226916,COC(=O)C1(c2cc(-c3cccc(C4=CCCC4)c3)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,LMEHZTXNXQFHLV-UHFFFAOYSA-N
-rxn:5:178295:227540:227828,COC(=O)C1(c2cc(-c3cccc(C4CC4)c3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,RRTATYGOMVSKQN-UHFFFAOYSA-N
-rxn:5:178295:227554:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc(F)c2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,YRWQRLRDVUPNSO-UHFFFAOYSA-N
-rxn:5:178295:227558:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(OC(F)F)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZOWVGABIDDIUOL-UHFFFAOYSA-N
-rxn:5:178295:227591:227860,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN4C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,AELQXOHQKWCQCI-UHFFFAOYSA-N
-rxn:5:178295:227591:227995,COC(=O)C1(c2cc(-c3cc(C)cc(C)c3OC)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,FELNHUKENMPVLB-UHFFFAOYSA-N
-rxn:5:178295:227706:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,MQAUDBOLNCGDSG-UHFFFAOYSA-N
-rxn:5:178295:227724:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,NIYJIVYWFKJKQN-UHFFFAOYSA-N
-rxn:5:178295:227810:223271,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DVNNAEOZHPGPAI-UHFFFAOYSA-N
-rxn:5:178295:227810:226946,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCN(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DULBPEOYDNZXNB-UHFFFAOYSA-N
-rxn:5:178295:227811:226921,COC(=O)C1(c2cc(-c3cc(C4CC4)c(C)cc3C)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,WVPOOASCEJOFLP-UHFFFAOYSA-N
-rxn:5:178295:227812:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2cccc(CC(C)C)c2)CCC(=O)CC1,KIKRWAFWFMGEFS-UHFFFAOYSA-N
-rxn:5:178295:227813:226772,CCc1cccc(CC)c1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZPJUYQSVYAPHRC-UHFFFAOYSA-N
-rxn:5:178295:227813:227298,CCc1cccc(CC)c1-c1ccc(-c2cc(F)ccc2CN(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,OZHLQTYLZDECJP-UHFFFAOYSA-N
-rxn:5:178295:227815:226973,CCC(C)c1ccccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)cc1C1(C(=O)OC)CCC(=O)CC1,UAGXYTMCSCTWKQ-UHFFFAOYSA-N
-rxn:5:178295:227818:226188,CCC(C)c1cccc(-c2ccc(-c3cc(C)c([Si](C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZNKKUIPFBIKKAC-UHFFFAOYSA-N
-rxn:5:178295:227818:227106,CCC(C)c1cccc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RMYLWFCHTNGNAZ-UHFFFAOYSA-N
-rxn:5:178295:227819:225407,CCc1cc(CC)cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MUZPEARCQVZYFO-UHFFFAOYSA-N
-rxn:5:178295:227819:227045,CCc1cc(CC)cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NEDAMEIYERBWHQ-UHFFFAOYSA-N
-rxn:5:178295:227819:228346,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)OC)sc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DKAFQXWYKOALSI-UHFFFAOYSA-N
-rxn:5:178295:227820:226334,COC(=O)C1(c2cc(-c3cc(C)cc(C(=O)N(C)C)c3)ccc2-c2ccc(C(C)(C)C)cc2)CCC(=O)CC1,OOXWPBMEEKCGQW-UHFFFAOYSA-N
-rxn:5:178295:227821:226907,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,ZCFHMGJOXIMNCV-UHFFFAOYSA-N
-rxn:5:178295:227823:227313,CCC(C)c1cc(-c2ccc(-c3ccccc3C(C)(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,WCZYCBSCRJYTKQ-UHFFFAOYSA-N
-rxn:5:178295:227826:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cccc(C(C)(C)C)c2)CCC(=O)CC1,MWDSFLCFSBYNLH-UHFFFAOYSA-N
-rxn:5:178295:227831:226067,CCc1c(C)cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,UPCSUBUFCOWTKN-UHFFFAOYSA-N
-rxn:5:178295:228002:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2sccc2C2CCCC2)CCC(=O)CC1,BSOGRMXKKSYABL-UHFFFAOYSA-N
-rxn:5:178295:228005:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,ANIUGQSYKJECSJ-UHFFFAOYSA-N
-rxn:5:178295:228079:227574,COC(=O)C1(c2cc(-c3ccc(F)c(OC)c3OC)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,LVIFYZUWRUSAPS-UHFFFAOYSA-N
-rxn:5:178295:228135:226059,CCOc1cc(C)ncc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,KWLPIANTTKWPDT-UHFFFAOYSA-N
-rxn:5:178295:228142:227286,CCCc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,IKOKDQOOCFPTBH-UHFFFAOYSA-N
-rxn:5:178295:228146:227060,CCc1cncc(-c2ccc(-c3ccc(C)c(OC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,JOHWZSJHYUSCLO-UHFFFAOYSA-N
-rxn:5:178295:228157:227120,COC(=O)C1(c2cc(-c3ccc(C4CCC4)cc3F)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,NQEDMOOLSIIOQX-UHFFFAOYSA-N
-rxn:5:178295:228176:227542,COCc1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,UVQYNHDRHQYDGG-UHFFFAOYSA-N
-rxn:5:178295:228179:226579,COCc1cc(F)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DOFHIGIOKDLDQA-UHFFFAOYSA-N
-rxn:5:178295:228179:227339,COCc1cc(F)cc(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WNVNZTDBSWYMNB-UHFFFAOYSA-N
-rxn:5:178295:228180:226437,COCc1cc(-c2ccc(-c3cc(C4CCCC4)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,ZSYBQSMZOVYVEB-UHFFFAOYSA-N
-rxn:5:178295:228195:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,XBJLHWLYGHUXCP-UHFFFAOYSA-N
-rxn:5:178295:228227:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc(C(C)C)nc2F)CCC(=O)CC1,YOTKWCLBPUZEMG-UHFFFAOYSA-N
-rxn:5:178295:228242:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2cc(C)c(F)cc2OC)CCC(=O)CC1,MJUCICHZKUCPIQ-UHFFFAOYSA-N
-rxn:5:178295:228242:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(C)c(F)cc2OC)CCC(=O)CC1,FYZASLMKKQGCHQ-UHFFFAOYSA-N
-rxn:5:178295:228257:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,BBRAFNPWDHDBKU-UHFFFAOYSA-N
-rxn:5:178295:228279:227542,CCc1cc(F)c(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,VGYHCIBPHVZPMG-UHFFFAOYSA-N
-rxn:5:178295:228336:227077,CCC(C)c1ccc(-c2ccc(-c3cnc(OC)c(SC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,OTQVBFWNHXJNCC-UHFFFAOYSA-N
-rxn:5:178295:228401:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2c(F)ccc(F)c2OC)CCC(=O)CC1,CDRLGJVZQCVFTK-UHFFFAOYSA-N
-rxn:5:178295:228431:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,NNAJRRWZOMYARC-UHFFFAOYSA-N
-rxn:5:178295:228437:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2ccc(C(F)F)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NFLCKQBZQOXRGR-UHFFFAOYSA-N
-rxn:5:178295:228437:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(C(F)F)cc2F)CCC(=O)CC1,HUFDJGZAMNILDJ-UHFFFAOYSA-N
-rxn:5:178295:228510:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2ccccc2C(C)C)CCC(=O)CC1,XKQGKCGEBBPNRJ-UHFFFAOYSA-N
-rxn:5:178295:228515:226188,CCc1cccc(C)c1-c1ccc(-c2cc(C)c([Si](C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,PDZUYOSHVJPUGK-UHFFFAOYSA-N
-rxn:5:178295:228531:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cccc3c2CCO3)CCC(=O)CC1,ADVYTQJVAVAYPA-UHFFFAOYSA-N
-rxn:5:178295:228562:227067,CCC(C)c1csc(-c2ccc(-c3ccc(OC)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WCWMUOAJBKFRGO-UHFFFAOYSA-N
-rxn:5:178295:228564:227040,CCC(C)c1ccc(-c2ccc(-c3cc(C)ccc3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)s1,PSLPLJVVDFIILH-UHFFFAOYSA-N
-rxn:5:178295:228567:227519,CCC(C)c1sccc1-c1ccc(-c2cnc(C(=O)OC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,WPRFBCXADGSPIC-UHFFFAOYSA-N
-rxn:5:178295:228713:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccn(C(C)(C)C)n2)CCC(=O)CC1,XUTNLPBAOKZZMM-UHFFFAOYSA-N
-rxn:5:178295:228745:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2cnc(SC)cc2C)CCC(=O)CC1,QSEBTPWAOJGKEO-UHFFFAOYSA-N
-rxn:5:178295:228772:226769,CCc1c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccnc1F,SQCGQXNCPLIVMQ-UHFFFAOYSA-N
-rxn:5:178295:228774:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2c(F)cccc2OC)CCC(=O)CC1,KGXSSQUACNYISF-UHFFFAOYSA-N
-rxn:5:178295:229090:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2csc(C(C)=O)c2)CCC(=O)CC1,RGVGWRJWWGYASR-UHFFFAOYSA-N
-rxn:5:178313:226062:225871,CC(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1,HZHNZCSZOOFLKM-UHFFFAOYSA-N
-rxn:5:178314:223061:226139,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cc(C2CC2)cnc1C1CC1,LBJCWTHNFGGKJC-UHFFFAOYSA-N
-rxn:5:178315:226059:226062,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(C)C)cc3C(C)C)c2)cc(C(C)C)c1,HQGSKJPZTDAXEW-UHFFFAOYSA-N
-rxn:5:178315:226469:226444,Cc1nc(C2CCCO2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc3c(c2)N(C)C(=O)CO3)c1,RNAKCUWHAOWYSO-UHFFFAOYSA-N
-rxn:5:178353:223065:226364,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCCCC2)nc1,NFCAYJLPDBABMO-UHFFFAOYSA-N
-rxn:5:178353:223065:226395,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1cncc(N2CCCCC2)c1,SQSMTRLBUMZAJI-UHFFFAOYSA-N
-rxn:5:178353:225849:223131,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1ccc(N2CCNCC2)cc1,TXBQYDOCSKJPOY-UHFFFAOYSA-N
-rxn:5:178466:222405:223065,CC(C)OC(=O)c1sc2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2c1-c1ccc(N2CCNCC2)cc1F,RSAHYGIUVNMCFM-UHFFFAOYSA-N
-rxn:5:178466:223062:225655,CC1CCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cnc(C6CCNCC6)cc5F)ccc34)c2)CC1,BARDYWXBZBSIQS-UHFFFAOYSA-N
-rxn:5:178467:222958:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3ccc(C)c(C4CCNCC4)c3)c2OC1,FKOXZXKTRRBHBE-UHFFFAOYSA-N
-rxn:5:178467:222988:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,BITSHYFEIGPHLR-UHFFFAOYSA-N
-rxn:5:178467:222988:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,YSOQHBYCYZDRKK-UHFFFAOYSA-N
-rxn:5:178467:223062:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,BFDPIJNTWXHGCP-UHFFFAOYSA-N
-rxn:5:178467:223062:227946,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,BOLUHSSERABTAX-UHFFFAOYSA-N
-rxn:5:178467:223132:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3cccc(N4CCNCC4)c3)c2OC1,WQZVAUIEUNNNJQ-UHFFFAOYSA-N
-rxn:5:178467:223202:222987,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3C)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,MCAPHCYRZDMUMH-UHFFFAOYSA-N
-rxn:5:178467:225499:228395,CCOC(=O)C1=Cc2cc(-c3cc(F)c(F)cc3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,QTLAWQGZCQZJHX-UHFFFAOYSA-N
-rxn:5:178467:225641:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccnc(N4CCCC(C)C4)c3)c2OC1,LUXVATSMVKOGMO-UHFFFAOYSA-N
-rxn:5:178467:225870:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(N4CCOCC4)c3)c2OC1,ZDMXUMMECUUPHE-UHFFFAOYSA-N
-rxn:5:178467:225982:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,VBDKTBWUMWKXSV-UHFFFAOYSA-N
-rxn:5:178467:226148:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,YMJILRTUAWBUBY-UHFFFAOYSA-N
-rxn:5:178467:226329:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)c(F)c3)c2OC1,UXRBVSYDIQLIAQ-UHFFFAOYSA-N
-rxn:5:178467:226395:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,DZPUJLGQNSPAIL-UHFFFAOYSA-N
-rxn:5:178467:226661:223340,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)NCCO4)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,OTMHMOZGDJTTQN-UHFFFAOYSA-N
-rxn:5:178467:226661:226645,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,MOFALEKMIURJQC-UHFFFAOYSA-N
-rxn:5:178467:226664:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,XWAVCIGASMDBHM-UHFFFAOYSA-N
-rxn:5:178467:226665:226898,CCOC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,RSKDYCZUNGMPKT-UHFFFAOYSA-N
-rxn:5:178467:226794:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,JMYFCFOOVHECPY-UHFFFAOYSA-N
-rxn:5:178467:227299:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(CN(C)C)c3)c2OC1,CSFGDXONOSWWIC-UHFFFAOYSA-N
-rxn:5:178467:227381:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(C4CCCC4)nc3)c2OC1,GOAHZQXQNPNZIV-UHFFFAOYSA-N
-rxn:5:178467:227387:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,NCNWFKHZHMQYMW-UHFFFAOYSA-N
-rxn:5:178467:227507:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,TZIAPWPWEZRWTL-UHFFFAOYSA-N
-rxn:5:178467:227568:226146,CCOC(=O)C1=Cc2cc(-c3ccc(SC4CCCC4)cc3)cc(-c3c(F)cc(OC)cc3OC)c2OC1,KDATYTGCJRAIST-UHFFFAOYSA-N
-rxn:5:178467:227803:227377,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCC3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,UXVKKYPMFDKHGU-UHFFFAOYSA-N
-rxn:5:178467:227803:227611,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCCCO3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,OCXFNSHSPQLOJA-UHFFFAOYSA-N
-rxn:5:178467:227803:228193,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCCC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,YKTRFLFPDRKNNL-UHFFFAOYSA-N
-rxn:5:178467:228320:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,SRAPRHBICVLLOE-UHFFFAOYSA-N
-rxn:5:178467:228692:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccc(CN(C)C)s3)c2OC1,CQLZTCFXACNICT-UHFFFAOYSA-N
-rxn:5:178556:222980:226331,N#CC1(c2ccc(-c3ccc(-c4ccc(CN5CCNCC5)cc4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CC1,STBUYHDWHXLWNL-UHFFFAOYSA-N
-rxn:5:178556:223006:226329,N#CC1(c2ccc(-c3ccc(-c4ccc(F)c(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)cc2F)CC1,NOKWXQBKFAYEEL-UHFFFAOYSA-N
-rxn:5:178556:223006:226331,N#CC1(c2ccc(-c3ccc(-c4ccc(F)c(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CC1,FPEHIBUDAWJSHP-UHFFFAOYSA-N
-rxn:5:179392:225805:225986,CC(c1ccc(-c2ccc(OC3COC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)s1)N1CCOCC1,XLEXZWXVAKTHPE-UHFFFAOYSA-N
-rxn:5:179629:225798:223054,COc1ccc(-c2ccc(OC3CCOCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,WLVKHKVCXMSBIT-UHFFFAOYSA-N
-rxn:5:179629:225805:227449,COc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(C2CCOCC2)s1,KPSKDKPBIWAMMZ-UHFFFAOYSA-N
-rxn:5:179629:225833:225636,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,FUBZRFVCJLXXNG-UHFFFAOYSA-N
-rxn:5:179629:225849:222989,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1C,QLJBAVMSZULYBU-UHFFFAOYSA-N
-rxn:5:179629:225849:223065,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1F,HVYZLFORGAEZJM-UHFFFAOYSA-N
-rxn:5:179629:225849:225631,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCN(C)CC2)cc1,WUMGLRAQACSECG-UHFFFAOYSA-N
-rxn:5:179629:225849:225636,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,DTTFBCNPEJPRCY-UHFFFAOYSA-N
-rxn:5:180021:223146:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cccc(C2CNCCO2)c1,HYZAZCYXEDIPSY-UHFFFAOYSA-N
-rxn:5:180021:225987:227119,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(C2CCCCC2)cs1,CSMVXRXAPIMXDO-UHFFFAOYSA-N
-rxn:5:180204:225871:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(OC2CCOCC2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,UAWUIKIXZVKNLY-UHFFFAOYSA-N
-rxn:5:180297:223008:227506,COc1cc(-c2cc(C3CCNCC3)ccc2F)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,QKKXIEBMUMSCJG-JLHYYAGUSA-N
-rxn:5:180402:225499:226148,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C(=O)C2CCCCC2)c1,AZYQGJORFMYFNB-UHFFFAOYSA-N
-rxn:5:180402:226062:226154,COc1cc(C(C)(C)C)ccc1-c1cc(-c2cc(C(C)C)cc(C(C)C)c2)ccc1C(=O)C1CCCCC1,BTPVINCQSWKEFH-UHFFFAOYSA-N
-rxn:5:180402:227587:225515,COc1cc(-c2ccc(C(=O)C3CCCCC3)c(-c3cccc4c3OCC(C)(C)CO4)c2)cc(F)c1OC,NGLVQCXCRLROHD-UHFFFAOYSA-N
-rxn:5:180422:222998:227804,O=[N+]([O-])c1cc(-c2cc(CC3CCCCC3)ccc2-c2cc(F)cc(C3CCCNC3)c2)c([N+](=O)[O-])s1,FJDGDXPCCKUORA-UHFFFAOYSA-N
-rxn:5:180422:226899:225987,O=[N+]([O-])c1ccc(-c2ccc(CC3CCCCC3)cc2-c2ccc(N3CCCS3(=O)=O)cc2)c([N+](=O)[O-])c1,PHRAXPHSQSDHDM-UHFFFAOYSA-N
-rxn:5:180662:222986:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,DLWKTWANRUPSFA-CSKARUKUSA-N
-rxn:5:180662:223146:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cccc(C4CNCCO4)c3)c2OC1,OWJUIDIEODZHPS-UHFFFAOYSA-N
-rxn:5:180662:226794:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,VIJDWFBXMNZPKD-UHFFFAOYSA-N
-rxn:5:180662:227076:225507,CCC(C)c1ccc(F)c(-c2cc(-c3ccc4c(c3)CCC4C(=O)OC)cc3c2OCC(C(=O)OC)=C3)c1,JCLZQZMNYMVEED-UHFFFAOYSA-N
-rxn:5:181904:222956:222956,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C)cc2C2CCCNC2)c(C2CCCNC2)c1,PWAMPQOGHMXABV-UHFFFAOYSA-N
-rxn:5:181907:226174:225607,Cc1cc(-c2ccc(C3CCCCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,ZUEACAYDXQYNDQ-UHFFFAOYSA-N
-rxn:5:181908:225465:225985,Cc1cc(-c2cccc(C3CCN(C)CC3)c2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,SWVDMGFYVPUFJJ-UHFFFAOYSA-N
-rxn:5:181908:225514:225683,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,XBKWLHJTRDPENX-UHFFFAOYSA-N
-rxn:5:181908:225653:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCC3C)nc2)c(C2CCCNC2)c1,KPHDZDGKXOUHAS-UHFFFAOYSA-N
-rxn:5:181908:225805:226176,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccncc2C2CCCCC2)cc1C1OCCO1,LWWCXQBBONFEQR-UHFFFAOYSA-N
-rxn:5:181908:226176:225805,Cc1cc(-c2ccncc2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,WPDVAKFJTRDHPP-UHFFFAOYSA-N
-rxn:5:182010:226686:223002,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1C1CCOCC1,OQNYURVTOVRNSC-UHFFFAOYSA-N
-rxn:5:182012:225674:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1C1CCCOC1,BDFINEZTAMMUHS-UHFFFAOYSA-N
-rxn:5:183216:226880:225824,CC1(C)CC(=O)c2cc(-c3cc(F)c(F)c(C(F)(F)F)c3)cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c2O1,CLUAVWRANICUKU-UHFFFAOYSA-N
-rxn:5:188930:226643:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCOCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1,URHVWUWIOUOKHI-UHFFFAOYSA-N
-rxn:5:188932:223135:225805,COC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,OHWHYXVCQCQUCO-UHFFFAOYSA-N
-rxn:5:188932:223139:223135,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,ZDSGWEKGQBWQDX-UHFFFAOYSA-N
-rxn:5:189207:227119:228337,CCOc1cc(F)c(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2C(=O)ON2C(=O)CCC2=O)cn1,ISUJHEJRKCOVAM-UHFFFAOYSA-N
-rxn:5:189209:226437:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)O)cc2)cc(-c2cc(C3CCCC3)ncc2F)c1,YPEDTKOIXNXPMW-UHFFFAOYSA-N
-rxn:5:189212:225811:229054,COCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)cs1,QSHQHRYMPBVOQT-UHFFFAOYSA-N
-rxn:5:189320:225933:225621,Cc1cc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cc(C3CC3)nc(C(F)(F)F)c2)ccc1OC1CCOC1,WCVRHBNNAPHDCY-UHFFFAOYSA-N
-rxn:5:189512:225849:225633,O=[N+]([O-])c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1,PUQDDXXHIJJDDQ-UHFFFAOYSA-N
-rxn:5:189539:223018:223018,CC(C)N(C)C(=O)c1cccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1-c1ccc2c(c1)NC(=O)C(C)(C)O2,VYOGNKRCUDPVCB-UHFFFAOYSA-N
-rxn:5:189718:226190:226061,CC(C)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(C3CCCC3)cc2F)cc(C2CC2)c1,SZIVMLAWHZVQKP-UHFFFAOYSA-N
-rxn:5:189826:226842:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cncc(C(=O)C(F)(F)F)c2)c1,LEROTQUDTUISJX-UHFFFAOYSA-N
-rxn:5:189952:227724:225834,COc1c(-c2cc(OC(F)F)ccc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,WZTZXPKNMOBXHH-UHFFFAOYSA-N
-rxn:5:190001:228677:225833,CC(C)Cn1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccnc(N3CCCCC3)c2F)cn1,YPIIBURVTIAGLI-UHFFFAOYSA-N
-rxn:5:190131:229025:225927,COc1c(-c2cc(C(F)(F)F)ccc2N(C)C)cc(C(=O)N2CCCCC2)cc1-c1cc(C)n(C)c1C,HXARGPGIYNFXAP-UHFFFAOYSA-N
-rxn:5:190132:222417:226571,COC1CCN(C(=O)c2ccc(-c3cnc(=O)[nH]c3C(C)C)cc2-c2cnn(CC3CCOCC3)c2)CC1,STFOXKJNSREYHR-UHFFFAOYSA-N
-rxn:5:190194:225598:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCSCC3)c2)cc1OC,QLYXMXFOKSERHD-UHFFFAOYSA-N
-rxn:5:190194:225671:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ncc2F)cc1OC,MHLLPSADFZELTH-UHFFFAOYSA-N
-rxn:5:190194:225674:223388,COC1CCN(Cc2cccc(-c3cnc(C4CCCCC4)cc3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,INGAZGHHNPDEHT-UHFFFAOYSA-N
-rxn:5:190194:225833:223388,COC1CCN(Cc2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,LOMOYMHNIKDCJZ-UHFFFAOYSA-N
-rxn:5:190194:225834:223388,COC1CCN(Cc2cccc(-c3cc(N4CCCCC4)ncc3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,MTAQNFFKJVHTST-UHFFFAOYSA-N
-rxn:5:190194:225849:223388,COC1CCN(Cc2cccc(-c3cnc(N4CCCCC4)cc3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,PRNUYJCNFHDQBE-UHFFFAOYSA-N
-rxn:5:190194:226064:227561,COc1cc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2)cc1OC,DDWXHKOESUVENR-UHFFFAOYSA-N
-rxn:5:190194:226129:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCCC3)c2)cc(F)c1OC,HJRXKPDIVDAERI-UHFFFAOYSA-N
-rxn:5:190194:226364:222409,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCCCC3)nc2)cc1S(N)(=O)=O,ITMWKYSNVNBAPM-UHFFFAOYSA-N
-rxn:5:190194:227592:225588,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2CN2CCSCC2)c1OC,ASGWSNCNVJPTFM-UHFFFAOYSA-N
-rxn:5:190195:223113:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1,DEPUNGACQWDXBO-UHFFFAOYSA-N
-rxn:5:190196:223113:226645,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(N2CCOCC2)c1)C1CCOCC1,YMNYFRWTOXXSAT-UHFFFAOYSA-N
-rxn:5:190196:225591:228117,CC(C)Oc1cncc(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2CN(C)C2CCOCC2)c1,UPQJVQYUQIACDP-UHFFFAOYSA-N
-rxn:5:190196:225594:225613,CN(Cc1ccc(-c2ccc(F)cc2CN2CCCC2)cc1-c1ccnc(OC2CCCCC2)c1)C1CCOCC1,HMDOVFBJYCNZLT-UHFFFAOYSA-N
-rxn:5:190199:223065:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,QCXZQWSRRUXUCD-UHFFFAOYSA-N
-rxn:5:190199:225598:227276,CCc1cc(N(C)C)ncc1-c1ccc(-c2cccc(CN3CCSCC3)c2)c(CN(C)C2CCOCC2)c1,YRHGNACRFVATTP-UHFFFAOYSA-N
-rxn:5:190199:226583:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(CN2CCOCC2)s1)C1CCOCC1,SBDSZFBVLOSPBP-UHFFFAOYSA-N
-rxn:5:190201:223062:223113,CC1CN(CCc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PMLKXWUZYDDXLX-UHFFFAOYSA-N
-rxn:5:190265:228182:225636,CC1CCN(c2cc(-c3ccc(CC(=O)N4CCCC(C)C4)cc3-c3cccc(CC(F)F)c3)ccn2)CC1,XCLDRGPZCHCIAR-UHFFFAOYSA-N
-rxn:5:190335:226881:227822,COc1c(-c2c(C)cccc2C(C)C)cc(C(=O)N2CCCCC2C)cc1-c1c(F)c(F)c(OC)c(F)c1F,SDLIDZATTUTMJR-UHFFFAOYSA-N
-rxn:5:190336:226587:228939,COc1c(-c2cnc(OC3CCC3)cc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1c(F)cc(F)cc1F,TZMQLRKUJSPAFM-UHFFFAOYSA-N
-rxn:5:190336:227552:223202,COc1c(-c2ccc(C3(O)CCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1CC(F)(F)F,NKPUAMCBWPOVFB-UHFFFAOYSA-N
-rxn:5:190484:223138:227505,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,YHBVYPNRXHCEKO-RCCKNPSSSA-N
-rxn:5:190484:223147:223146,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,IINQCFRSWLWZJG-UHFFFAOYSA-N
-rxn:5:190484:226062:223113,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)C(C)(C)C(=O)N5)S(=O)(=O)CC3)c2)cc(C(C)C)c1,LSHXXFAZXALHSO-UHFFFAOYSA-N
-rxn:5:190484:226062:227970,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)(C)C)S(=O)(=O)CC3)c2)cc(C(C)C)c1,YEEOQOUPRGXODA-UHFFFAOYSA-N
-rxn:5:190484:227061:227409,Cc1ccc(OC(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,MOVGINAMIWHHON-UHFFFAOYSA-N
-rxn:5:190484:227317:227415,CC(C)(C)Oc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)ccn1,LTCIYNIQBAQJRB-UHFFFAOYSA-N
-rxn:5:190484:227449:223312,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,PMFRYABPRUVBLE-UHFFFAOYSA-N
-rxn:5:190484:228106:227068,CCC(C)c1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(CC(C)C)cc4F)S(=O)(=O)CC3)c2)cn1,ZYUKSULWIOIGCB-UHFFFAOYSA-N
-rxn:5:190484:228227:227409,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(F)n1,ZARULFADULIVGM-UHFFFAOYSA-N
-rxn:5:190740:223061:225833,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,WRRDYXGDQILKJT-UHFFFAOYSA-N
-rxn:5:190740:225655:223064,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(C2CCNCC2)nc1F,JXKKHOMBOHCPDP-UHFFFAOYSA-N
-rxn:5:190740:226661:225978,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1ccc(N2CCOCC2)nc1F,YIJXUSBPRNITGB-UHFFFAOYSA-N
-rxn:5:190741:225834:223056,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,JGMVIZSBLUPFFY-UHFFFAOYSA-N
-rxn:5:190741:225834:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,CTYNXCFVUIGKBF-UHFFFAOYSA-N
-rxn:5:190741:225978:226662,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCN(C)CC2)s1,NALBIPXMHABGMA-UHFFFAOYSA-N
-rxn:5:190742:223061:226571,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cnn(CC2CCOCC2)c1,MLPHGLYKJWRZNC-UHFFFAOYSA-N
-rxn:5:190742:225978:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccnc(N2CCOCC2)c1F,HHZLBCHRTMSIHJ-UHFFFAOYSA-N
-rxn:5:190742:226571:225881,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(C2CCOCC2)nc1F,OEELQQCLGMBABG-UHFFFAOYSA-N
-rxn:5:190742:226583:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(N2CCOCC2)nc1F,ADNPGZUJIQXDCJ-UHFFFAOYSA-N
-rxn:5:190743:226662:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1cnc(N2CCOCC2)cc1F,QTDNGFWSBUAAMF-UHFFFAOYSA-N
-rxn:5:190744:223061:225976,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,AOOVZNRXYDNTII-UHFFFAOYSA-N
-rxn:5:190744:225583:223062,CCOC(=O)c1cnc2c(-c3cccc(C(=O)N4CCCC4)c3)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,DZFOKEBKWLNRSY-UHFFFAOYSA-N
-rxn:5:190744:225976:225834,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,RCGWDJNOXIIYDL-UHFFFAOYSA-N
-rxn:5:190744:225980:225655,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,DXTZVPVBCKYCHO-UHFFFAOYSA-N
-rxn:5:190796:223018:226342,COC(=O)c1c(C)cc(-c2cccc3c2c(-c2ccc4c(c2)NC(=O)C(C)(C)O4)cn3C(=O)OC(C)(C)C)cc1C,CGYVTTVHYVBFJD-UHFFFAOYSA-N
-rxn:5:190796:225450:226061,CC(C)c1cc(-c2cccc3c2c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)cc(C2CC2)c1,QXGKKVRYYQEVRI-UHFFFAOYSA-N
-rxn:5:190833:226917:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)cc(C(C)(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,CPTJPDTWDOKPKM-UHFFFAOYSA-N
-rxn:5:190859:226855:227959,COc1cc(C(F)(F)F)c(-c2ccc3c(c2-c2cc(C)cnc2C2CC2)CCN3C(=O)OC(C)(C)C)cn1,RKYBSYOBTVMZMQ-UHFFFAOYSA-N
-rxn:5:190998:228703:225834,COC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1N1Cc2cc(-c3cnn(C4CCC4)c3)ccc2OCC1=O,VOCLONCGRDUGBI-UHFFFAOYSA-N
-rxn:5:191026:226198:225928,CCCn1ncc2cc(-c3ccc4c(c3)N(c3ccc(C)c(-c5ccc(C)c(S(=O)(=O)N(C)C)c5)c3)C=C(C(=O)OC)S4(=O)=O)ccc21,XEZDRBDPAIUUTF-UHFFFAOYSA-N
-rxn:5:191026:227076:227353,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,KJAKGIYRYHVJAU-UHFFFAOYSA-N
-rxn:5:191026:227076:228325,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,QXMZLEWSMFZOCH-UHFFFAOYSA-N
-rxn:5:192234:225805:226643,COc1c(-c2ccc(N3CCOCC3)nc2)cc(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,HUUJCQRLHLNOQH-UHFFFAOYSA-N
-rxn:5:192236:223062:225607,COc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,GWIAGMQAZYSOQX-UHFFFAOYSA-N
-rxn:5:192236:225805:223135,COc1cc(-c2cccnc2C2CCCNC2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCOCC2)s1,ZFKVAOVVEZKSRM-UHFFFAOYSA-N
-rxn:5:193225:225873:225602,N#CC1(c2ccc(F)c(-c3ccc(-c4cccc(N5CCOCC5=O)c4)cc3C(=O)N3CCOCC3)c2)CCC1,ARLYUWUBLDCSKW-UHFFFAOYSA-N
-rxn:5:193226:226364:223006,O=C(c1ccc(-c2ccc(N3CCCCC3)nc2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,GOAKUAKNVUHRTQ-UHFFFAOYSA-N
-rxn:5:193226:227387:223061,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,TXGOXGNYTRBBQV-UHFFFAOYSA-N
-rxn:5:193229:223061:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cc(C4CCNCC4)ncc3F)c2)CC1,RAEJUBNOXJQGGN-UHFFFAOYSA-N
-rxn:5:193229:223141:226644,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1-c1cncc(N2CCOCC2)c1)N1CCOCC1,DQLSMJYBVYVYDQ-UHFFFAOYSA-N
-rxn:5:193229:225978:222987,Cc1nc(C2CCNCC2)ccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc(N2CCOCC2)nc1F,MNLUSCSGFHAJOE-UHFFFAOYSA-N
-rxn:5:193230:223061:225980,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,DBALNOUTNUERIL-UHFFFAOYSA-N
-rxn:5:193230:226864:225515,CC1(C)COc2cccc(-c3cc(-c4cc(F)c(OC(F)F)c(F)c4)ccc3C(=O)N3CCOCC3)c2OC1,FKGOYBVUUXTMTO-UHFFFAOYSA-N
-rxn:5:193230:227316:223062,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc(F)n1,UQIHDTNSYZXWBL-UHFFFAOYSA-N
-rxn:5:193335:225986:225805,CC(c1ccc(-c2cccc(-c3ccccc3N3CCCS3(=O)=O)c2CN2CCOCC2)s1)N1CCOCC1,AVVGVLWDJWMDKI-UHFFFAOYSA-N
-rxn:5:193382:222958:227432,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4COC4)nc3C)c2)cc1C1CCNCC1,VPVNSFWHBMRVIT-UHFFFAOYSA-N
-rxn:5:193382:223001:226411,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1ccc(N2CCOCC2)cc1)N1CCOCC1,HMVCKMXYKHFRLH-UHFFFAOYSA-N
-rxn:5:193382:223002:223008,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,RWUFTDNJECBKQC-UHFFFAOYSA-N
-rxn:5:193382:223002:226177,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccnc(C2CCCCC2)c1)N1CCOCC1,DPOUYHIPPYIVLL-UHFFFAOYSA-N
-rxn:5:193382:223004:226644,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,KIWGBMTZMHXEIA-UHFFFAOYSA-N
-rxn:5:193382:223131:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2ccc(N3CCNCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,XHNRQLVNMHGSIC-UHFFFAOYSA-N
-rxn:5:193382:223139:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,MUMBEUOTPBHMHF-UHFFFAOYSA-N
-rxn:5:193382:223295:226662,CN1CCN(c2ccc(-c3cc(-c4cncc(NS(C)(=O)=O)c4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,XPPMRRONRGKVSQ-UHFFFAOYSA-N
-rxn:5:193382:225805:223132,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCNCC4)c3)c2)s1)N1CCOCC1,KQPARVNAEJIIOC-UHFFFAOYSA-N
-rxn:5:193382:225805:223312,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CNC4)cc3)c2)s1)N1CCOCC1,ZTLPHPVYKLGJMI-UHFFFAOYSA-N
-rxn:5:193382:225987:223054,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,PPPYJYYZAKFART-UHFFFAOYSA-N
-rxn:5:193382:226366:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2)ccc1S(=O)(=O)N1CCOCC1,PUNAOVMOJSFXQJ-UHFFFAOYSA-N
-rxn:5:193382:226415:223200,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,UNNOQPDJONOTSF-UHFFFAOYSA-N
-rxn:5:193382:226447:226413,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,DPEZJPLRXANXPE-UHFFFAOYSA-N
-rxn:5:193382:226643:223199,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1cccc(C2CCNC2)c1)N1CCOCC1,ZQUWZLUEEIACRH-UHFFFAOYSA-N
-rxn:5:193382:227432:223138,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCNCC3)c2)c1,YNUOWXFJHKHIDR-UHFFFAOYSA-N
-rxn:5:193382:227438:222958,Cc1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,HLCUTRRKTLDEBD-UHFFFAOYSA-N
-rxn:5:193382:227438:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccnc(C3CCOC3)c2)ccc1S(=O)(=O)N1CCOCC1,FDUQRJLBVDUBBU-UHFFFAOYSA-N
-rxn:5:193382:227656:223288,CNS(=O)(=O)c1cccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)c1,OPIHWAAKJOGRHK-UHFFFAOYSA-N
-rxn:5:193382:227684:227710,CS(=O)(=O)Oc1ccc(-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1,BRVWUVKCTVGZGW-UHFFFAOYSA-N
-rxn:5:193382:227803:223147,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CNCCO3)cc2)c1,JRBXHNHXAIGSFK-UHFFFAOYSA-N
-rxn:5:193464:222987:223058,Cc1nc(C2CCNCC2)ccc1-c1ccc(C2(C#N)CCCCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,CDAIXYZDDQLRQE-UHFFFAOYSA-N
-rxn:5:193464:223389:225601,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(C2(C#N)CCCCC2)c(-c2ccc(C3(C#N)CCC3)cc2F)c1,JPNZWRVBESZLIB-UHFFFAOYSA-N
-rxn:5:193506:223131:227413,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2-c2cnc(C3CCC3)cc2F)CC1,DOUKSVQWTUVVQW-UHFFFAOYSA-N
-rxn:5:193506:223135:223355,CNC(=O)c1ccccc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,WVPGXBZCSWCQGC-UHFFFAOYSA-N
-rxn:5:193506:223145:227934,CCOc1ccc(C)c(-c2cc(-c3ccc(C4CCC(=O)N4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,UPCNKBDNDWUEDA-UHFFFAOYSA-N
-rxn:5:193506:223146:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,UAASVQWQUDDXSK-UHFFFAOYSA-N
-rxn:5:193506:223203:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4(O)CCC4)c3)cc2-c2ccc(N3CCCCC3)s2)CC1,TZPRJXAVBZCQDG-UHFFFAOYSA-N
-rxn:5:193506:223354:223138,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)cc1,QRQGTZOAHRMMGL-UHFFFAOYSA-N
-rxn:5:193506:225666:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2-c2sccc2C2CC2)CC1,YCBGGCTWIOCVDU-UHFFFAOYSA-N
-rxn:5:193506:225679:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2sccc2C2CC2)CC1,KPJZTHICLGIASS-UHFFFAOYSA-N
-rxn:5:193506:225805:226447,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCOCC4)c3)c2)s1)N1CCOCC1,MCSJMJJUXMMHKW-UHFFFAOYSA-N
-rxn:5:193506:226330:227438,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCOC4)c3)c2)s1)N1CCCC1,INJCURSVPXQKPW-UHFFFAOYSA-N
-rxn:5:193506:226414:223007,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cc(F)cc(C3CCNCC3)c2)CC1,ZKHHXSLYYWPVPU-UHFFFAOYSA-N
-rxn:5:193506:226414:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cc(F)cc(C3CC3)c2)CC1,HOLTXXBFTUBCSZ-UHFFFAOYSA-N
-rxn:5:193506:226441:228623,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)cc3F)cc2-c2sccc2C2CCC2)CC1,RYTXERAMHMJUMH-UHFFFAOYSA-N
-rxn:5:193506:226664:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,JNAFFHGHNUBBOC-UHFFFAOYSA-N
-rxn:5:193506:226665:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,CVBGCYBJBHRYLN-UHFFFAOYSA-N
-rxn:5:193506:226971:225935,CC(C)c1cc(-c2cc(-c3ccc4c(c3)CCCOC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C(F)(F)F)n1,FURABKOPAVARCP-UHFFFAOYSA-N
-rxn:5:193506:227403:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cc(F)cc(C3CC3)c2)CC1,PAXCSLAIVQRNEC-UHFFFAOYSA-N
-rxn:5:193506:227656:226335,N#Cc1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1COC1,WMPZTRPZSLMEJR-UHFFFAOYSA-N
-rxn:5:193506:227867:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCCC4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,UVNDDGJMNNSAQK-UHFFFAOYSA-N
-rxn:5:193506:227980:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,LGZFEVSODWDUSN-UHFFFAOYSA-N
-rxn:5:193506:227997:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,CPJMWNBAXVYNBD-UHFFFAOYSA-N
-rxn:5:193506:228018:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,FBVAYWYTFOQHPY-UHFFFAOYSA-N
-rxn:5:193506:228210:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)s3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,SQWGGLBPZVCUGH-UHFFFAOYSA-N
-rxn:5:193506:228623:226422,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CCC3)cc2-c2cc(F)ccc2N2CCCC2)CC1,CPOJZFACZVNIKA-UHFFFAOYSA-N
-rxn:5:193506:229011:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)s3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,KODIRVBTJFXYPK-UHFFFAOYSA-N
-rxn:5:193506:229079:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(C4CC4)n3)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,DAMCNPKOXBYNTQ-UHFFFAOYSA-N
-rxn:5:193537:222980:226596,CC(C)Oc1c(F)ccc(-c2cccc(CN3CCCCC3)c2-c2ccc(CN3CCNCC3)cc2)c1F,XPOVERZTHWTVLP-UHFFFAOYSA-N
-rxn:5:193754:223173:227404,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)C(O)CS4(=O)=O)c2-c2cc(N3CCCCC3)cs2)CC1,ASOKHUABCOVXMG-UHFFFAOYSA-N
-rxn:5:193754:225849:223388,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)cc3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,AENHCZHMKVUYTD-UHFFFAOYSA-N
-rxn:5:193756:225591:225674,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cnc(C2CCCCC2)cc1F,CUWVKGPOEMDEER-UHFFFAOYSA-N
-rxn:5:193756:225613:226437,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCCC3)c2)cc1-c1cc(C2CCCC2)ncc1F,BZKMCBQOJFVUKN-UHFFFAOYSA-N
-rxn:5:193756:225806:227086,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1ccnc(C2CCCC2)c1,DKEWYTZAWQIFKH-UHFFFAOYSA-N
-rxn:5:193756:225819:225834,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(N2CCCCC2)ncc1F,BAHKMEIJOWXXSY-UHFFFAOYSA-N
-rxn:5:193756:225819:226747,CCc1ncc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,XCWJLRXNYGOUFO-UHFFFAOYSA-N
-rxn:5:193756:226324:226366,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(N2CCCCC2)c1,KHHIZHBEQWNGPB-UHFFFAOYSA-N
-rxn:5:193756:226338:226588,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1cc(OC2CCC2)ncc1F,OKLYOPJXVMJEJE-UHFFFAOYSA-N
-rxn:5:193756:226664:225656,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1cncc(N2CCCCC2C)c1,OXXDPIDKPSATGM-UHFFFAOYSA-N
-rxn:5:193756:226744:227086,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(C4CCCC4)c3)c2)cnc1C(F)(F)F,XSJLKDUPWIABQH-UHFFFAOYSA-N
-rxn:5:193756:227093:226744,CCc1cc(-c2cc(-c3cccnc3C3CCCC3)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,WKVXSEVYWZNDQB-UHFFFAOYSA-N
-rxn:5:193756:227702:225600,COC(=O)c1cnc(F)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCCC3)c2)c1,ACFHAUOXZWICBN-UHFFFAOYSA-N
-rxn:5:193808:223173:227404,CC1CCN(Cc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cc(N3CCCCC3)cs2)CC1,RERSGIPZUFRUAD-UHFFFAOYSA-N
-rxn:5:193808:226737:227449,CC1CCN(Cc2cc(-c3ccc(C(F)(F)F)c(C#N)c3)ccc2-c2ccc(C3CCOCC3)s2)CC1,OUWIOHXJYWTPKL-UHFFFAOYSA-N
-rxn:5:193866:225593:223149,CCOc1cc2cn[nH]c2cc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cc(F)cc(CN2CCCC2)c1,AEVVOZSQWMSJJW-UHFFFAOYSA-N
-rxn:5:193866:228566:226059,CC(C)Cc1sccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(C(C)C)cc1C(C)C,VXCUUPFJFDMGLL-UHFFFAOYSA-N
-rxn:5:193867:226916:227587,COc1cc(-c2cc(-c3cccc(C4=CCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc(F)c1OC,FYZJFNPRIBLOEX-UHFFFAOYSA-N
-rxn:5:193869:222420:223142,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CCCNC2)nc1,ICMGLWFOAAVWIO-UHFFFAOYSA-N
-rxn:5:193869:223131:227387,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,XUNAVILKIUTKDC-UHFFFAOYSA-N
-rxn:5:193869:223191:227376,CNS(=O)(=O)c1ccc(-c2cc(C)c(-c3cncc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc1F,IKRCSLPCGFNIFV-UHFFFAOYSA-N
-rxn:5:193869:223203:227387,Cc1cc(-c2cccc(C3(O)CCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,QUOTXTBAFDZZEQ-UHFFFAOYSA-N
-rxn:5:193869:223267:227379,CNC(=O)c1ccc(-c2cc(C)c(-c3cccnc3N3CCCC3)cc2S(=O)(=O)N2CCCCC2)cc1F,GJNGPCCDTGCDLT-UHFFFAOYSA-N
-rxn:5:193869:225455:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cc(N4CCCCC4)ccc3C)cc2C)ccn1,CPGSISHHDZPXOW-UHFFFAOYSA-N
-rxn:5:193869:225461:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCC4)cc3C)cc2C)ccn1,XZDTWHIYBZTVLE-UHFFFAOYSA-N
-rxn:5:193869:225633:223342,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCCN2,GGUGXHPSZKOOQQ-UHFFFAOYSA-N
-rxn:5:193869:226364:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCC4)nc3)cc2C)c1,VSOUEYYNMCBGRS-UHFFFAOYSA-N
-rxn:5:193869:227403:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCC4)s3)cc2C)c1,YXQJXJRXFNHFEY-UHFFFAOYSA-N
-rxn:5:193869:227404:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cc(N4CCCCC4)cs3)cc2C)c1,FKAHCJOLWWXOFE-UHFFFAOYSA-N
-rxn:5:193869:227940:225633,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,PHZORJVJRULZIB-UHFFFAOYSA-N
-rxn:5:193869:227940:226364,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,PVVSTIRUFRSFMD-UHFFFAOYSA-N
-rxn:5:193869:227940:226366,CCc1cc(SC)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,OQHILRGRBHQSTG-UHFFFAOYSA-N
-rxn:5:193869:227940:226395,CCc1cc(SC)cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,IKNBVTISGOAFKD-UHFFFAOYSA-N
-rxn:5:193869:227940:226663,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,SGWJOMMZWHMPGP-UHFFFAOYSA-N
-rxn:5:193869:228516:225833,CCc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCC2)c1,HSLRNIKBWOLCHP-UHFFFAOYSA-N
-rxn:5:193869:228558:225849,CCSc1cccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)c1,OVPWAXUYHOXCCG-UHFFFAOYSA-N
-rxn:5:193869:228890:225633,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,UBNIDJZAPDRNTI-UHFFFAOYSA-N
-rxn:5:193870:223132:227408,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CCC3)ncc2F)cc1-c1cccc(N2CCNCC2)c1,AUOFAULPIPOSNI-UHFFFAOYSA-N
-rxn:5:193870:223192:227376,CNS(=O)(=O)c1cc(-c2cc(-c3cncc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1F,KNOATKJZPSIHLU-UHFFFAOYSA-N
-rxn:5:193870:223218:227408,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CCC3)ncc2F)cc1-c1ccc2c(c1C)NCCO2,IWGSOJYGRIUSSD-UHFFFAOYSA-N
-rxn:5:193870:223264:227387,CNC(=O)c1cc(-c2cc(-c3ccnc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1F,FPXCIVTTWQMXKI-UHFFFAOYSA-N
-rxn:5:193870:225633:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,XDIGRYJWGDVNLA-UHFFFAOYSA-N
-rxn:5:193870:225833:223378,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)NCCO3)cc1-c1ccnc(N2CCCCC2)c1F,AIVLTYCYKLKJPT-UHFFFAOYSA-N
-rxn:5:193870:225849:225634,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)cc1-c1cnc(N2CCCCC2)cc1F,PCQRVXIOHGDROS-UHFFFAOYSA-N
-rxn:5:193870:226137:226335,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3COC3)c(C#N)c2)cc1-c1cc(C2CC2)cnc1C(C)C,RMHJRPFZPCXJRO-UHFFFAOYSA-N
-rxn:5:193870:226181:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(C4=CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,YBCXANFCUOPPHV-UHFFFAOYSA-N
-rxn:5:193870:226366:227940,CCc1cc(SC)cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,MUGHEPJEBARRMA-UHFFFAOYSA-N
-rxn:5:193870:226395:227940,CCc1cc(SC)cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,ODHLHZMOEHSHBU-UHFFFAOYSA-N
-rxn:5:193870:226663:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCSCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,IEHFXFWMTKGGBW-UHFFFAOYSA-N
-rxn:5:193870:227940:225633,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,YNYQKJJPOWPSDC-UHFFFAOYSA-N
-rxn:5:193870:227940:226366,CCc1cc(SC)cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,NFRCEHHQIIYLRC-UHFFFAOYSA-N
-rxn:5:193870:227940:226395,CCc1cc(SC)cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,QTAGZBAATVYKKF-UHFFFAOYSA-N
-rxn:5:193870:227940:226663,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCSCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,QFCADAQGLGKSSU-UHFFFAOYSA-N
-rxn:5:193870:228588:225455,CC#Cc1cc(-c2cc(-c3cc(N4CCCCC4)ccc3C)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,FHSGFOHSEXOXRG-UHFFFAOYSA-N
-rxn:5:193870:228588:225461,CC#Cc1cc(-c2cc(-c3ccc(N4CCCCC4)cc3C)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,VEEXRCJBKHTZBE-UHFFFAOYSA-N
-rxn:5:193871:227343:223004,COC(=O)c1cc(C)cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C3CCNCC3)c(F)c2)c1,QMUABPBGYCHYOP-UHFFFAOYSA-N
-rxn:5:193871:227745:226366,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(C(F)(F)F)c(F)c2)c1)N1CCC2(CC1)CC2,XVUQLZDYBIDPDB-UHFFFAOYSA-N
-rxn:5:193871:228805:226042,CSc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F,SFWXIXCVGCXQBP-UHFFFAOYSA-N
-rxn:5:193872:223144:227289,CC(C)(C)Oc1ncccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(N2CCC(O)C2)cc1,ZFGBJEWCMOGASE-UHFFFAOYSA-N
-rxn:5:193872:227709:225448,Cc1ccc(OC2CCCC2)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(OC(F)(F)F)c2)c1,UBEUKZVSCKEJKX-UHFFFAOYSA-N
-rxn:5:193889:223065:225639,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C)c(-c2cccnc2N2CCC(C)CC2)n1,ZCORECKWJXQTBQ-UHFFFAOYSA-N
-rxn:5:193889:225872:225636,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cc(F)c(F)c(N4CCCC4)c3)c2C)c(-c2ccnc(N3CCC(C)CC3)c2)n1,ZWMYNGDIDGEFGF-UHFFFAOYSA-N
-rxn:5:193892:226059:223018,CC(C)c1ccc(-c2ccc(N3C(=O)CSC(c4ccc(-c5ccc6c(c5)NC(=O)C(C)(C)O6)cc4)C3=O)cc2)c(C(C)C)c1,IRCZKORGUKLHAJ-UHFFFAOYSA-N
-rxn:5:193912:226839:225833,N#Cc1cnc(C(F)(F)F)cc1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)C2=O)cc1,RYOVUMLFKOTENX-UHFFFAOYSA-N
-rxn:5:193967:227802:227938,CCOc1c(C)cccc1-c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1CN1CCC2(CC1)OCCO2,XAZNJFNAPBMKNS-UHFFFAOYSA-N
-rxn:5:193968:228603:226143,CC(=O)c1cccc(-c2ccc(-c3cc(C)c(OC(C)C)c(C)c3)c(CN3CCC4(CC3)OCCO4)c2)c1,MOUYFWBXYJIKKO-UHFFFAOYSA-N
-rxn:5:193972:223112:227403,Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,AUYXLYDIBDJGEU-UHFFFAOYSA-N
-rxn:5:193972:223202:227387,Cc1cc(-c2ccc(C3(O)CCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,UBICUGSDAQBCTP-UHFFFAOYSA-N
-rxn:5:193972:226158:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccccc3N3CCCCC3)cc2C)ccn1,KBUPDVVKHLNGNH-UHFFFAOYSA-N
-rxn:5:193972:226159:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N4CCCCC4)c3)cc2C)ccn1,NRQBOLKGGCEOOM-UHFFFAOYSA-N
-rxn:5:193972:226164:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)cc3)cc2C)ccn1,RFZFSDVULVEGMN-UHFFFAOYSA-N
-rxn:5:193972:226172:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCC4)ccc3C)cc2C)ccn1,VFOMPWXARUJMNF-UHFFFAOYSA-N
-rxn:5:193972:226175:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCC4)cc3C)cc2C)ccn1,LQRGKMJQOMRMFE-UHFFFAOYSA-N
-rxn:5:193972:226414:228709,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=NCCCO4)cc3)cc2C)cc(C#N)n1,OQRRUEVCHSOXPA-UHFFFAOYSA-N
-rxn:5:193972:226732:226737,Cc1cc(-c2ccc(C#N)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(F)(F)F)c(C#N)c1,BTKYLFVYINJVCH-UHFFFAOYSA-N
-rxn:5:193972:227375:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCC4)nc3)cc2C)c1,QKSXHOAUXGIUQN-UHFFFAOYSA-N
-rxn:5:193972:227376:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCC4)c3)cc2C)c1,RRDWAIQAFIYEMN-UHFFFAOYSA-N
-rxn:5:193972:227379:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccnc3N3CCCC3)cc2C)c1,NXNBGUDPQAOIKG-UHFFFAOYSA-N
-rxn:5:193972:227387:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCC4)c3)cc2C)c1,DYJFACDOAGJHNQ-UHFFFAOYSA-N
-rxn:5:193972:227404:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCCC4)cs3)cc2C)ccn1,ZKOWMJUWMQLERM-UHFFFAOYSA-N
-rxn:5:193972:227940:227375,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(N4CCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,PXPYQOFAKDAENN-UHFFFAOYSA-N
-rxn:5:193972:227940:227376,CCc1cc(SC)cc(-c2cc(C)c(-c3cncc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,DSMBUZZOFXQXJY-UHFFFAOYSA-N
-rxn:5:193972:227940:227387,CCc1cc(SC)cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,KMZSDXMDKSOYPK-UHFFFAOYSA-N
-rxn:5:193972:228210:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCC4)s3)cc2C)c1,INPOFXNVXHDJRV-UHFFFAOYSA-N
-rxn:5:193972:228211:227940,CCc1cc(SC)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCC4)cs3)cc2C)c1,NWPYMGRSUBYDSZ-UHFFFAOYSA-N
-rxn:5:193972:228572:225799,Cc1ccc(-c2cc(C)c(-c3cncc(OC4CCOCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C#N,JISJXGNWRDUQKW-UHFFFAOYSA-N
-rxn:5:193972:228588:223131,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCNCC4)cc3)cc2S(=O)(=O)N2CCCCCC2)ccn1,VFDXLEVBNSIDHM-UHFFFAOYSA-N
-rxn:5:193972:228709:226414,Cc1cc(-c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,ADCZHMIFTCJWEL-UHFFFAOYSA-N
-rxn:5:193972:228714:226181,Cc1cc(-c2cnc(C#N)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,FHLYKUAFVUFIFU-UHFFFAOYSA-N
-rxn:5:193972:228846:226794,Cc1cc(-c2cc(C)c(F)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,HLLDNSJBTXAOFI-UHFFFAOYSA-N
-rxn:5:193972:228890:226395,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,NKNXNGUBPAEYOL-UHFFFAOYSA-N
-rxn:5:193972:229037:225636,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,GVCWUBYLEPHCTG-UHFFFAOYSA-N
-rxn:5:194058:223054:225632,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCN(C)CC3)c2)s1)N1CCC(O)C1,LJOWNWWPNWREQQ-UHFFFAOYSA-M
-rxn:5:194058:225462:223054,CC1CCN(c2cccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)CC1,GEMMVGFSYXNBJA-UHFFFAOYSA-M
-rxn:5:194058:225469:223054,CC1CCCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)cc2)C1,IBKBDBOHLWQCTD-UHFFFAOYSA-M
-rxn:5:194058:225607:225577,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC3)cc2C#N)s1)N1CCCCC1,MQUFHDGAQZFCPE-UHFFFAOYSA-M
-rxn:5:194058:225639:223054,CC1CCN(c2ncccc2-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)CC1,QWCGQXARIFCNMK-UHFFFAOYSA-M
-rxn:5:194561:226053:226734,CN(C)S(=O)(=O)c1cccc(-c2ccc(-c3ccc(F)c(OC(F)(F)F)c3F)cc2C(=O)N2C3CCC2COC3)c1,OJJLSZYQBGKWNE-UHFFFAOYSA-N
-rxn:5:194733:227833:228878,CCc1cc(C)cc(C)c1-c1ccc(-c2cnn(C3COC3)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,FKQMJIPWIOIHOL-UHFFFAOYSA-N
-rxn:5:194767:223065:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,XAGOHLHOLHXUDS-UHFFFAOYSA-N
-rxn:5:194767:226158:228550,CCCc1cc(-c2ccc(-c3ccccc3N3CCCCC3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)ccn1,LJELATDYINJUOK-UHFFFAOYSA-N
-rxn:5:194782:226333:228186,COc1c(SC)cccc1-c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,JJJRLUNCQSQFTO-UHFFFAOYSA-N
-rxn:5:194791:227344:223063,CC(C)Oc1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cc(F)nc(C6CCNCC6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1F,IEYYJOWAAOKCQJ-UHFFFAOYSA-N
-rxn:5:194792:227519:228330,CCOc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cnc(C(=O)OC)cc6C)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cnc1F,XCICHKJGJGTBNK-UHFFFAOYSA-N
-rxn:5:194792:227610:226195,Cc1cccc(-c2csc(-c3ccc(N4C(=O)C5C(c6ccc(-c7ccn(C8CCCCO8)n7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c2)c1,SLTXKEIEYGNYLK-UHFFFAOYSA-N
-rxn:5:196408:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cnccc2C2CCCCC2)c1,UDOSLMNFWMSSAN-UHFFFAOYSA-N
-rxn:5:196408:226686:223063,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1C1=NOCCO1,DMFVQWCFPXFILG-UHFFFAOYSA-N
-rxn:5:196789:223065:225834,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCCCC2)ncc1F,FDVUHIRXTPTYBC-UHFFFAOYSA-N
-rxn:5:196917:225849:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,VADIUCYHDAZYKU-UHFFFAOYSA-N
-rxn:5:196917:226664:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cc(N3CCCC3)ncc2F)=N1,MAGGFBSHAAPEKA-UHFFFAOYSA-N
-rxn:5:196919:225926:223131,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccc(N3CCNCC3)cc2)=N1,YDWOMFPODITBLU-UHFFFAOYSA-N
-rxn:5:196919:225926:226395,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cncc(N3CCCCC3)c2)=N1,LNGQHLZVYWOFCT-UHFFFAOYSA-N
-rxn:5:196919:225926:226664,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cc(N3CCCC3)ncc2F)=N1,MPKKHUNJLISDTO-UHFFFAOYSA-N
-rxn:5:196919:226059:225450,CC(C)c1ccc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccc(C(=O)C4CCCC4)cc3)c2)c(C(C)C)c1,PJDQRZOVPFRLKR-UHFFFAOYSA-N
-rxn:5:196919:226395:225926,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,HFRYBYOVDLNFGD-UHFFFAOYSA-N
-rxn:5:196922:226346:225937,Cc1cc(OC(C)C)c(F)c(-c2cc(-c3cc(C(F)(F)F)ncc3C(C)C)cc(N3CCCCC3=O)c2)c1,OVHGBSHDUDPFON-UHFFFAOYSA-N
-rxn:5:196969:225832:222981,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccnc(NC2CCCCC2)c1,WDFPHUKVQHEPCQ-UHFFFAOYSA-N
-rxn:5:196970:222996:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1ccc(F)cc1C1CCCNC1,HVPQORBDKWCYHW-UHFFFAOYSA-N
-rxn:5:196970:226060:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cc(C2CC2)cc(C2CC2)c1,OJQHHXARBDGIQH-UHFFFAOYSA-N
-rxn:5:196979:225636:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(N2CCCCC2)c1,JPCQNXMQCOOCHJ-UHFFFAOYSA-N
-rxn:5:196979:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)cc(N2CCCCC2)c1,KKLVSVWDZBOPBR-UHFFFAOYSA-N
-rxn:5:197526:225439:225945,CC(=O)N1CC(=O)c2c1ccc(-c1cccc(C(C)N3CCCC3)c1)c2-c1ccc(C#CC(F)(F)F)c(F)c1,NSHCOJZHGDVZGE-UHFFFAOYSA-N
-rxn:5:197876:223018:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc3c(c1)NC(=O)C(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,LIWAOROBXYCNLC-UHFFFAOYSA-N
-rxn:5:197876:225671:229010,CC(C)c1csc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BXCASAIASMGMOL-UHFFFAOYSA-N
-rxn:5:197876:226441:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(N3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PQRLFFCTNLEZEF-UHFFFAOYSA-N
-rxn:5:197876:226912:227048,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WSTAZYWNACVQEP-UHFFFAOYSA-N
-rxn:5:197876:226917:226067,Cc1cc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,HYSLPCOIXWVOPQ-UHFFFAOYSA-N
-rxn:5:197876:227048:223250,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,HUGSTTPHBNCEQS-UHFFFAOYSA-N
-rxn:5:197876:227102:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,GFHNLHCPFCHYTR-UHFFFAOYSA-N
-rxn:5:197876:227408:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ULMIWIVEXAJRCC-UHFFFAOYSA-N
-rxn:5:197876:227412:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QEZZABXDXQKUEW-UHFFFAOYSA-N
-rxn:5:197876:227971:226062,CC(C)c1cc(-c2cc3c(cc2-c2cnccc2C(C)(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,SXPGZISQBRRABN-UHFFFAOYSA-N
-rxn:5:197876:228415:226061,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,RZIWMWCNNORQEX-UHFFFAOYSA-N
-rxn:5:227891:178295:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccccc2CN(C)C)CCC(=O)CC1,BCHKCXBGPNZGPJ-UHFFFAOYSA-N
-rxn:5:227906:178295:227316,CCC(C)c1ncccc1-c1ccc(-c2cc(F)nc(CC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,XHTBYPJVBVIEGQ-UHFFFAOYSA-N
-rxn:5:227907:178295:227312,CCC(C)c1cncc(-c2ccc(-c3ccc(C(C)CC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HVDUTKLEGIWQER-UHFFFAOYSA-N
-rxn:5:227909:178295:227052,CCC(C)c1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,HISLPTVQCOVRQX-UHFFFAOYSA-N
-rxn:5:227932:178295:227542,COCc1ccc(C)c(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,TVIGTHFKWKOBRI-UHFFFAOYSA-N
-rxn:5:227935:178295:227292,CCc1cc(-c2ccc(-c3ccc(F)c(CN(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,ARTPCMSCUPNYAN-UHFFFAOYSA-N
-rxn:5:227964:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cncc(C4(C)CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,HHOZPVQTIQHLMM-UHFFFAOYSA-N
-rxn:5:227970:178295:227066,COC(=O)C1(c2cc(-c3cccc(C(=O)C4CC4)c3)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,LXDKAHXDJMOUPQ-UHFFFAOYSA-N
-rxn:5:227978:178295:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2cc(C(C)C)ccc2F)CCC(=O)CC1,TUDVFJLWXSXOME-UHFFFAOYSA-N
-rxn:5:227979:178295:227346,CCCc1cc(F)c(-c2ccc(-c3c(C)cc(C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,IQERDUANKFQQJO-UHFFFAOYSA-N
-rxn:4:173338:224728,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cc(OC)ncc2C(=O)OC(C)(C)C)cc1,AZBNCXWSNGRYOG-UHFFFAOYSA-N
-rxn:4:173339:222915,CCOC(=O)CC(=O)c1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)cc1C(F)(F)F,GMVZRWFVVZFHBH-UHFFFAOYSA-N
-rxn:4:173364:224017,CCOC(=O)c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c1C(=O)OCC,CCURSCNIIQWPCV-UHFFFAOYSA-N
-rxn:4:173656:222935,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc1)C2=O,WDUNJAPFGDYLRT-UHFFFAOYSA-N
-rxn:4:173763:223492,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1,CVJGOXWKTIWZJZ-UHFFFAOYSA-N
-rxn:4:173763:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)ccc2C)CC1,LFEPVXUKXRVUTI-UHFFFAOYSA-N
-rxn:4:173763:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)CC(=O)C(=O)OC)cc3)cc2)CC1,HUKGLSCSPYPBCQ-UHFFFAOYSA-N
-rxn:4:173763:223926,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1,VZLYKEXYOGJNLY-UHFFFAOYSA-N
-rxn:4:173763:223954,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1,FHVVBPVYUXJMSC-UHFFFAOYSA-N
-rxn:4:173915:222545,COC(=O)COc1ccc(C(C)=O)cc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,XFTRWYLRFGSIHV-UHFFFAOYSA-N
-rxn:4:174046:223812,COC(=O)Cc1cc(OC)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1OC,LVSKAQZVFNYLRE-UHFFFAOYSA-N
-rxn:4:174170:225157,CC(C)(C)OC(=O)c1ccc(-c2cccc(C(=O)N3CCSCC3)c2)cc1OC(F)(F)F,ILAQTPPBEIXGIW-UHFFFAOYSA-N
-rxn:4:174406:223775,COC(=O)C1(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)cc2)CC(OC)(OC)C1,JCGCHXNRAADJPB-UHFFFAOYSA-N
-rxn:4:174406:224884,COC(=O)C1(c2ccc(-c3cccc(CN4CCC(C)CC4)c3)cc2)CC(OC)(OC)C1,BYGQOOSZRJRYBE-UHFFFAOYSA-N
-rxn:4:174406:225123,COC(=O)C1(c2ccc(-c3ccncc3OCC3CCCCO3)cc2)CC(OC)(OC)C1,VLBGUBLBCZGCOV-UHFFFAOYSA-N
-rxn:4:174454:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1,FXQQNPHDMIRIBP-UHFFFAOYSA-N
-rxn:4:174508:222584,CC1(C)CC(=O)C(Sc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)=C(OC(=O)c2ccco2)C1,CLJADXSOLLBILJ-UHFFFAOYSA-N
-rxn:4:174528:225269,COC(=O)c1ccc(-c2c(OC)ccc(C)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(=O)OC)c1,RSBHFTKXJNDMSZ-UHFFFAOYSA-N
-rxn:4:174531:224258,CCOC(=O)c1cc2cc(OC(F)(F)F)cc(-c3ccc(C(=O)N4CCCCC4C)cc3Cl)c2o1,PILUWIZHNFGWAW-UHFFFAOYSA-N
-rxn:4:174546:223501,COC(=O)C12CC(COc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)ccc3Cl)(C1)C2,NZBFBUPGMLOIQF-UHFFFAOYSA-N
-rxn:4:174605:222909,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)c1)C2=O,VXKJTZCYWOAKNM-UHFFFAOYSA-N
-rxn:4:174656:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c1,UPRCKNPJGQTXRM-UHFFFAOYSA-N
-rxn:4:174747:224256,COC(=O)c1cc(Cl)c(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)c(OC(F)(F)F)c1,KJEGKXXSISJSSO-UHFFFAOYSA-N
-rxn:4:174901:223815,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1,GFTNFWCAGLOCHI-UHFFFAOYSA-N
-rxn:4:175805:223482,CCOc1ccc(C(C)(C)OC)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,OHJABOLMPHHDDW-UHFFFAOYSA-N
-rxn:4:176015:224060,COc1c(C(C)(C)C)cc(-c2cccc(CCC(=O)C3CCCCC3)c2)cc1C(C)(C)C,KJTXZHADBWFMRY-UHFFFAOYSA-N
-rxn:4:176168:222904,CC(C)[Si](c1c(F)cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc1F)(C(C)C)C(C)C,NUWQTIQJBBEZNH-UHFFFAOYSA-N
-rxn:4:176206:224364,CCOC(=O)CC1OCCc2cc(-c3cc(OCC(C)C)cc(OC(F)(F)F)c3)ccc21,ILLLJJSDKMCYHY-UHFFFAOYSA-N
-rxn:4:176213:223712,CCOC(=O)CC1CCCc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc21,PADXPQFWRRIPIW-UHFFFAOYSA-N
-rxn:4:176261:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccccc2C=C2Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1,QCNFDLMOVSYRFA-UHFFFAOYSA-N
-rxn:4:176446:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(F)(F)F)c2)cc1C(F)(F)F,PFCBIBIVELYIQY-UHFFFAOYSA-N
-rxn:4:177322:223497,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CC1,ZTVUYOHVHPBZFT-UHFFFAOYSA-N
-rxn:4:177745:223539,COc1ccc(-c2ccc(F)c(C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ARWOSOZYPKIUGN-UHFFFAOYSA-N
-rxn:4:178223:223559,COc1cc(C(C)(C)C)c(OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FUBQZPHMIQGMNU-UHFFFAOYSA-N
-rxn:4:178288:222648,COC(=O)C1(c2ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)cc2)CCC(=O)CC1,PLWYCALVTFZFPN-UHFFFAOYSA-N
-rxn:4:178372:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(CC3CC(C(C)(C)C)CCC3=O)cc2)c1,NGNWFMLNZNSRFC-UHFFFAOYSA-N
-rxn:4:178381:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc2C)cc1,ALAORTWUUOFAGH-UHFFFAOYSA-N
-rxn:4:178381:222833,CC(C)CCC(=O)Nc1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,YJLLWRVFDIDHAS-UHFFFAOYSA-N
-rxn:4:178381:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,KBSBLBGNTHTEIM-UHFFFAOYSA-N
-rxn:4:178384:226242,CCCCOc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CJLKNWMFTYLEQE-UHFFFAOYSA-N
-rxn:4:178384:226252,CCCCOc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ODOZDMMGEMXIPW-UHFFFAOYSA-N
-rxn:4:178384:228925,CSc1cnc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CGHAVUOHDUGXCZ-UHFFFAOYSA-N
-rxn:4:178384:229181,Fc1nc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NJQLTWCFLVGGGJ-UHFFFAOYSA-N
-rxn:4:178438:223712,CCOC(=O)C1Cc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2O1,WNDMIFOFTVCKIT-UHFFFAOYSA-N
-rxn:4:178597:225230,Cc1ccc(C)n1-c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)cn1,OWKHSCRREXYSCX-UHFFFAOYSA-N
-rxn:4:178597:225640,CC1CCCCN1c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccn1,YVJSMADCTUCRAF-UHFFFAOYSA-N
-rxn:4:178597:227729,Cc1nn(-c2cscn2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GQTLULOWYWNAND-UHFFFAOYSA-N
-rxn:4:179317:223577,CC(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)c1C(F)(F)F,TZEUXQFXFBMEAM-UHFFFAOYSA-N
-rxn:4:179653:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)c1,AYGNNCHYELMDCW-UHFFFAOYSA-N
-rxn:4:179898:223581,COC(=O)c1cccc2cc(-c3ccc(C(F)(F)F)cc3C3OCCO3)n(C(=O)OC(C)(C)C)c12,LBGQZDZVGKBHRA-UHFFFAOYSA-N
-rxn:4:180287:223712,COc1ccc(-c2cc(C3OCCO3)cc(C)c2OC)cc1C12CC3CC(CC(C3)C1)C2,GVTXZPLFYMJWMR-UHFFFAOYSA-N
-rxn:4:180400:223712,COc1ccc(-c2ccc(C3CC3)c(C3CCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,JFPZHMDNCJSQIF-UHFFFAOYSA-N
-rxn:4:180724:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(=O)OC(C)(C(=O)OC)C3)c1,YQRAETCEBSGDGY-UHFFFAOYSA-N
-rxn:4:180815:222926,COc1ccc(-c2cnc(N3CCCC(O)C3)nc2C)cc1C12CC3CC(CC(C3)C1)C2,KDAFJBPLMYKNNZ-UHFFFAOYSA-N
-rxn:4:180856:222602,CC(C)Cc1cc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(S(=O)(=O)NC(C)(C)C)s1,BMYBXAJUZPROLL-UHFFFAOYSA-N
-rxn:4:181647:223482,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,VPLGDLJSFQAOLP-UHFFFAOYSA-N
-rxn:4:181919:223482,Cc1cc(C2OCCO2)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1F,WRLMWXMCZJVACW-UHFFFAOYSA-N
-rxn:4:182283:223597,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc2c1CCCC2=O,CXQOOLYXWMJGDU-UHFFFAOYSA-N
-rxn:4:182372:224352,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc1C2=O,PUOPFTFNUCGVBV-OTXJXNQZSA-N
-rxn:4:182374:222781,CC(=O)c1cc2c(cc1-c1cnc(C)cc1NC(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,CHUXRFIQJWMUTD-UHFFFAOYSA-N
-rxn:4:182374:222815,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1)C(C)(C)CCC2(C)C,AGXSKBMBRJDRFL-UHFFFAOYSA-N
-rxn:4:182376:225688,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cnc(C5CCCCC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,FZAXZNMTAWDZDG-OSELZAKSSA-N
-rxn:4:182416:223193,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(F)c(-c3nnn[nH]3)c2)cc1,MHURLXMWGYNIIK-UHFFFAOYSA-N
-rxn:4:183161:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(=O)C(C)(C)C4)cc21,XHJZKUBLOMPJQB-UHFFFAOYSA-N
-rxn:4:183272:225907,CCCc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1C(F)(F)F,FEDOAMQJAQSIFW-UHFFFAOYSA-N
-rxn:4:183273:223385,ON=Cc1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IBNYONQROWTSCK-UHFFFAOYSA-N
-rxn:4:183273:223386,O/N=C/c1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IBNYONQROWTSCK-ZXVVBBHZSA-N
-rxn:4:183273:225871,O=C1C=CC(=O)N1c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ZGIPUPFPQQSXND-UHFFFAOYSA-N
-rxn:4:183273:228393,COc1c(F)cc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ATRUMAHWFRJVEU-UHFFFAOYSA-N
-rxn:4:183274:223470,c1nnc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)[nH]1,JASOFAMQVAMCDI-UHFFFAOYSA-N
-rxn:4:183379:225625,CC1(C)C=Cc2c3c(cc(-c4cc(OC5CCCC5)ccc4F)c2O1)C(=O)OC(C)(C)O3,YRTZMZAFKVCRKY-UHFFFAOYSA-N
-rxn:4:183470:222396,CCOC(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,DJLSBYPZTDCXKD-UHFFFAOYSA-N
-rxn:4:183695:222943,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCCC1,BUXCNTJQDJMPBL-UHFFFAOYSA-N
-rxn:4:183807:224018,CC(C)COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)ccc1C(=O)ON1C(=O)CCC1=O,BOOWTEYJNVMFKX-UHFFFAOYSA-N
-rxn:4:183819:222467,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)c1,UEUOMZMGOJNRIL-UHFFFAOYSA-N
-rxn:4:183825:224746,CC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(CN(C(=O)OC(C)(C)C)C4CC4)c3)cn2)CC1,ODELQFXNXTUWEO-UHFFFAOYSA-N
-rxn:4:183886:225053,CC1CCCCN1c1ccc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)c(F)c1,HZVXUNGAKSIBDS-UHFFFAOYSA-N
-rxn:4:183910:222807,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)c1,MNHDWUABOFUXQG-UHFFFAOYSA-N
-rxn:4:183923:222389,O=C(COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,KJTLAAUQQDQHCT-UHFFFAOYSA-N
-rxn:4:183923:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(OCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1,XKVVHDUBYPBXRE-UHFFFAOYSA-N
-rxn:4:183933:222684,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,FGDGBLSIOUMKIB-UHFFFAOYSA-N
-rxn:4:183942:224780,COc1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,WMMTXZSWBQFBRK-UHFFFAOYSA-N
-rxn:4:183965:225746,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cccnc2C(=O)OC(C)(C)C)c1,WNGYQGONFAJQHS-UHFFFAOYSA-N
-rxn:4:184070:224577,COC(=O)C1(c2ccc(-c3cc(C4CC4)cc(-n4cnc(C)c4)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,UUTMEVAIOCROPS-UHFFFAOYSA-N
-rxn:4:184085:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1C,FONHOBMBFPGBHR-UHFFFAOYSA-N
-rxn:4:184132:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)c4ccn(CC(=O)OC(C)(C)C)c4c3)cc2)CC1,LHOURKJLIHEVIX-MEMLXQNLSA-N
-rxn:4:184158:224420,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1)C2=O,KDTLNKOECHARLJ-UHFFFAOYSA-N
-rxn:4:184159:225278,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(=O)OC)ccc3C(=O)OC)c1)C2=O,QLWDTAOAUWHBGG-UHFFFAOYSA-N
-rxn:4:184189:227265,CCOCc1cc(F)cc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)c1,XHDNSZSTNVNEQN-UHFFFAOYSA-N
-rxn:4:184189:227323,CCC(C)c1cc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)cnc1Cl,SLAUOMPBRBABMT-UHFFFAOYSA-N
-rxn:4:184223:223562,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)nc3ccc(C)cc23)cc1,YLMLAGUQSSSKIL-UHFFFAOYSA-N
-rxn:4:184283:223559,CCOC(=O)COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc1,GENJZFZFEDYSPF-UHFFFAOYSA-N
-rxn:4:184308:224194,CCN1CCN(Cc2ccc(-c3cc(OC(C(F)(F)F)C(F)(F)F)ccc3[N+](=O)[O-])cc2Cl)CC1,JDUVGQDGMNTBMQ-UHFFFAOYSA-N
-rxn:4:184776:223559,COC(=O)c1cccc(COc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)nc2)c1,ZYWWSNHOCDPIIL-UHFFFAOYSA-N
-rxn:4:184817:222466,CCN(CC)CCc1cc(F)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,XCUGTRKCKGRBHM-UHFFFAOYSA-N
-rxn:4:184834:222524,CCN(CC)Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(C(F)(F)F)c1,YDXGFWMPJZGTCG-UHFFFAOYSA-N
-rxn:4:184891:225613,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(OC2CCCCC2)c1)N1CCCC1,VZDHIGVNVXAPCG-UHFFFAOYSA-N
-rxn:4:184920:224790,CCCOc1cc(-c2cccc(CN3CCCC3)c2OCC(F)(F)F)ccc1OC(F)(F)F,ZHINMEBZDMGVTK-UHFFFAOYSA-N
-rxn:4:184942:222638,CCN(CC)C(=O)C1(c2cccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)c2)CC1,MXVSCKSHTHRUKR-UHFFFAOYSA-N
-rxn:4:184966:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N(CC(F)(F)F)C(C)(C)C)cc3)cn2)CC1,UHOUBNRTYGZUTR-UHFFFAOYSA-N
-rxn:4:185004:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCCC1,ZTLIYZOGGMSDDN-UHFFFAOYSA-N
-rxn:4:185100:222797,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C)ccc1S(=O)(=O)NC(C)(C)C,DPBRNOQPPQYWIF-UHFFFAOYSA-N
-rxn:4:185127:223598,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1[N+](=O)[O-],QYCYTHPESVYHTN-UHFFFAOYSA-N
-rxn:4:185135:222963,CCCNC(=O)Cc1ccc(-c2ccc(Cl)c(CCN3CCC(C(=O)OC)CC3)c2)cc1,NLUIRTYITFNGKP-UHFFFAOYSA-N
-rxn:4:185144:223008,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2)CC1,JWXPKOAZHKXBAI-UHFFFAOYSA-N
-rxn:4:185190:222828,CC1CCN(CCCOc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2F)CC1,ZNWFKFOVCBTSHD-UHFFFAOYSA-N
-rxn:4:185198:225035,COC(=O)c1cc(-c2cc(F)ccc2OC2CCCCC2)ccc1CN1CCC(OC)CC1,FBNLVPNPZLHQBF-UHFFFAOYSA-N
-rxn:4:185198:225464,COC(=O)c1cc(-c2cccc(N3CCCC(C)C3)c2)ccc1CN1CCC(OC)CC1,VOUBEPHTKBNJIR-UHFFFAOYSA-N
-rxn:4:185204:225395,COc1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)cc1C1CN(C(=O)OC(C)(C)C)C1,AZJPDNAFYUENBA-UHFFFAOYSA-N
-rxn:4:185207:224746,CC(=O)N1CCN(c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cn2)CC1,HUCFFISSQHAGGD-UHFFFAOYSA-N
-rxn:4:185229:222847,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCCNC2)c1,ISHHQKONFICMLZ-UHFFFAOYSA-N
-rxn:4:185255:224582,COc1ccccc1C(=O)N(c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1)C1C=CS(=O)(=O)C1,ZLHRMYXCDJJXJS-UHFFFAOYSA-N
-rxn:4:185285:225168,O=C(c1ccc(-c2ccc(CN3CCOCC3)c(F)c2)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,UFLGFEJIVSLMAJ-UHFFFAOYSA-N
-rxn:4:185285:225181,O=C(c1ccc(-c2cccc(CN3CCOCC3)c2F)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,IVEPXHDLTPIOSJ-UHFFFAOYSA-N
-rxn:4:185295:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)cc1,JEKGDNODRPEFIH-UHFFFAOYSA-N
-rxn:4:185323:225729,CCCCOc1ccc(F)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1F,YFGALXPVJZQSAY-UHFFFAOYSA-N
-rxn:4:185333:224125,Cc1cccc(CC(=O)N(c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2)C2C=CS(=O)(=O)C2)c1,GPTMXUKRQGGISK-UHFFFAOYSA-N
-rxn:4:185367:222584,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,VMLASYQAZXHMQK-UHFFFAOYSA-N
-rxn:4:185381:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)cnc1Cl,PUFVBTMUJAGYEQ-UHFFFAOYSA-N
-rxn:4:185381:228129,COc1cc(C#N)ccc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,DXPSDDWUWRTSHG-UHFFFAOYSA-N
-rxn:4:185398:226062,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(C(C)C)cc(C(C)C)c2)c1,KYHBUHDKEJSXBU-UHFFFAOYSA-N
-rxn:4:185415:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1,DXFRSCJEAKQYTL-UHFFFAOYSA-N
-rxn:4:185435:223815,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc2)C2C=CS(=O)(=O)C2)cc1,DHQZSCNDMGQSGM-UHFFFAOYSA-N
-rxn:4:185438:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)CC1,RJXYTTPALASITK-UHFFFAOYSA-N
-rxn:4:185443:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(C(C)C)c(N=C(c3ccccc3)c3ccccc3)c(C(C)C)c2)c1,MIIBEMRQXFCOAK-UHFFFAOYSA-N
-rxn:4:185483:223970,Cc1ccc(-c2ccc(F)c(OCCCN3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCC(C)CC1,IENZPMYVWBYPSH-UHFFFAOYSA-N
-rxn:4:185535:223183,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)c(C)c1,FJPCJDPEXBJOPS-NRFANRHFSA-N
-rxn:4:185547:223076,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4cccc(S(=O)(=O)NC5CC5)c4)ccc3oc2=O)CC1,XASFEHIVGKYMIH-UHFFFAOYSA-N
-rxn:4:185561:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(CN(C(=O)c4cc5ccccc5oc4=O)C4CCS(=O)(=O)C4)o3)cnc21,ODRNTZPPHIDFRL-UHFFFAOYSA-N
-rxn:4:185567:222845,CC(c1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1)N1CCNCC1,XFADEELWMZHKOC-UHFFFAOYSA-N
-rxn:4:185602:224573,Cc1c(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)oc2cc(-c3ccc(N4CCCCC4C)cc3C#N)ccc12,VSYZCLKPRHVTCO-UHFFFAOYSA-N
-rxn:4:185930:223504,CCOC(=O)Cc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)sc1C,OBVVTWVQWUYBMQ-UHFFFAOYSA-N
-rxn:4:186162:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc([N+](=O)[O-])c(OCC4CC4)c3)c2)C1,RRCDGSVGQQPSNG-UHFFFAOYSA-N
-rxn:4:186368:222657,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)cc1OC,QLBJODIKAKHHND-UHFFFAOYSA-N
-rxn:4:186495:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CC(=O)ON4C(=O)CCC4=O)cc3)cn2)CC1,XFGPVBTVTNKOSD-UHFFFAOYSA-N
-rxn:4:186560:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(F)c(CN(CC)CC)c3)c2)CC1,UBTCOKRZJQPYTB-UHFFFAOYSA-N
-rxn:4:186615:224337,CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)c1,AFLFMHXIVWAFAE-UHFFFAOYSA-N
-rxn:4:186716:224061,CCCC1CCC(c2ccc(-c3cc(F)cc(CN4CC(C(=O)OC)C4)c3)c(F)c2)CC1,PEMJNJRVAFNGHS-UHFFFAOYSA-N
-rxn:4:186893:222656,O=C(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC3)cc2)cc1F,POFASHKDDKAXJQ-UHFFFAOYSA-N
-rxn:4:186949:222631,CC(C)(C)c1cc(-c2cccc(OCC(=O)N3CCCCC3)c2)cc(C2CCNCC2)n1,YRNKZECHVDDTHY-UHFFFAOYSA-N
-rxn:4:187124:222846,CCOc1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1S(=O)(=O)N1CCOCC1,QTAUOJGIJOVWAO-UHFFFAOYSA-N
-rxn:4:187143:222471,COC(=O)c1ccc(NCc2ccccc2-c2cc(CC(=O)N3CCC(C(F)(F)F)CC3)ccc2Cl)cc1,KRHZGZXPKYLQAL-UHFFFAOYSA-N
-rxn:4:187147:225168,O=C(Cc1cc(F)ccc1-c1ccc(CN2CCOCC2)c(F)c1)N1CCC(C(F)(F)F)CC1,JYQIAGDGCCYEHK-UHFFFAOYSA-N
-rxn:4:187152:224625,CC(C)Oc1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(F)(F)F)CC2)cc(Cl)c1OC(C)C,YJBAFTFDDJGRIS-UHFFFAOYSA-N
-rxn:4:187152:225217,CC1CCCN(c2cc(F)c(-c3cc(F)ccc3CC(=O)N3CCC(C(F)(F)F)CC3)cn2)C1,GIYQADXHFYVGPJ-UHFFFAOYSA-N
-rxn:4:187153:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)cc1,LWOBPLGTFUGOBW-UHFFFAOYSA-N
-rxn:4:187153:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)cn1,XDHBZSOJVSBAGS-UHFFFAOYSA-N
-rxn:4:187191:224462,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,SROCRKDABSZDIA-UHFFFAOYSA-N
-rxn:4:187192:224656,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(OC)c(OC3CCCC3)c2F)cc1,YLCLELIUNWNHFH-JTSKRJEESA-N
-rxn:4:187197:223696,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1CN1CCCCC1,GJFJZHCMGBTBSI-UHFFFAOYSA-N
-rxn:4:187209:222538,COC(=O)C1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2F)CC1,DCHMTDVGLSNGFH-UHFFFAOYSA-N
-rxn:4:187218:225207,Cc1c(-c2ccc(CCN3CCC(C(F)(F)F)CC3)cc2)cc(C2CC2)cc1C(F)(F)F,JFGODTCQOGYQDV-UHFFFAOYSA-N
-rxn:4:187220:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2F)c1,FPLPHSNJNORGMV-UHFFFAOYSA-N
-rxn:4:187247:225345,COC(=O)c1cc(CN2CCC(F)(F)CC2)cc(-c2cc(S(=O)(=O)N(C)C)ccc2OC)c1,GKULPGNPUCGJQH-UHFFFAOYSA-N
-rxn:4:187250:224488,COC(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(CN2CCCC(F)(F)C2)c1,SYBQLQBZMGAMGR-UHFFFAOYSA-N
-rxn:4:187250:224588,COC(=O)c1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c(CN2CCCC(F)(F)C2)c1,HYMHGUWALPGCCR-UHFFFAOYSA-N
-rxn:4:187254:224015,Cc1cc(F)c(-c2cc(CCN3CCCC(C(F)(F)F)C3)ccc2F)cc1S(=O)(=O)N1CCOCC1,VIDCBQAQEMJPEV-UHFFFAOYSA-N
-rxn:4:187276:223695,O=S(=O)(c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,YTSSIOIVHXSLIS-UHFFFAOYSA-N
-rxn:4:187276:226567,COC(=O)C(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,QOGFWKUTACUSLS-UHFFFAOYSA-N
-rxn:4:187285:222636,Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,IHPAUIYGNGJIDG-HXUWFJFHSA-N
-rxn:4:187319:222436,CC(C)Oc1cccc(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)c1CN1CCC(F)(F)C1,NPIKWSUSSPDJNV-UHFFFAOYSA-N
-rxn:4:187389:225292,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1ccc(OC(C)C)c(C(F)(F)F)c1,ICOFRIUHPANSII-UHFFFAOYSA-N
-rxn:4:187447:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCC2(CC1)CC2(F)F,XDTIKKWAURRZOL-UHFFFAOYSA-N
-rxn:4:187461:223557,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,UYVHZCKDCILMCB-UHFFFAOYSA-N
-rxn:4:187484:222442,CCOc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)cc1S(=O)(=O)N1CCCCC1C,NFPWMWBLPCIKHG-UHFFFAOYSA-N
-rxn:4:187486:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,GFOOVMDQNINSLZ-UHFFFAOYSA-N
-rxn:4:187527:222717,Cc1cc(-c2ccc(C(=O)c3cccc(CN4CCOCC4)c3)c(F)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,KJSPJUHMBOMOAX-UHFFFAOYSA-N
-rxn:4:187535:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3Oc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2F)CC1,ADZXSAIQTJEPBS-UHFFFAOYSA-N
-rxn:4:187551:223576,COc1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,RAVUKAQUBPVRCJ-UHFFFAOYSA-N
-rxn:4:187552:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(OCC)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1,XRSREUZKUAPNSQ-UHFFFAOYSA-N
-rxn:4:187570:224257,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cc(C(=O)N2CCCCC2C)ccc1Cl,JFAOLJHWCKQLPA-UHFFFAOYSA-N
-rxn:4:187591:223037,CC(C)(C)OC(=O)N1CCCC(c2cc(F)ccc2-c2ccc(Cl)c(C(=O)NC3CC3)c2)C1,PQSDTNJNXICIGD-UHFFFAOYSA-N
-rxn:4:187598:223076,O=C(c1ccccc1-c1cccc(S(=O)(=O)NC2CC2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,XPKQMECFMSPULL-UHFFFAOYSA-N
-rxn:4:187632:226152,COc1cc(C2CC2)cc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1C,DKXQYYDWQSMQMU-UHFFFAOYSA-N
-rxn:4:187658:222499,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(C)cc1C,FPRAYOMXKQSCCC-UHFFFAOYSA-N
-rxn:4:187659:226844,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,CGPCNSFJLNBPHW-UHFFFAOYSA-N
-rxn:4:187662:226726,Cc1cc(-c2ccccc2OCC(F)(F)F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,IMTMCNIEMJYFNP-UHFFFAOYSA-N
-rxn:4:187664:224847,Cc1cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,IXBLPJXAQOBLET-UHFFFAOYSA-N
-rxn:4:187697:223712,COC(=O)c1cc(OC(F)F)c2nc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)sc2c1,CWPMFLIZSXQPRI-UHFFFAOYSA-N
-rxn:4:187820:224399,CCOC(=O)CN1C(=O)C(C)(C)c2cc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21,UICYGKHWYHUIPO-UHFFFAOYSA-N
-rxn:4:187845:223883,CC(C)(C)OC(=O)Cn1ccc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2c1=O,DTQLTJMTFQRKIV-UHFFFAOYSA-N
-rxn:4:187896:224329,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,ZVNHMPPHCQYWIK-UHFFFAOYSA-N
-rxn:4:187916:225183,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(OC2CCCCC2)nc1F,LMZGQDZNOYYSOX-UHFFFAOYSA-N
-rxn:4:187961:224283,COC(=O)Cc1cc2c(n1-c1ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cc1)CC(C)(C)CC2=O,KMLVPBFBONEFOL-UHFFFAOYSA-N
-rxn:4:187962:224393,COc1ccc(CN2C(=O)c3c(F)cc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3C2(C)C)c(OC)c1,JWZGVWDDIXOMDA-UHFFFAOYSA-N
-rxn:4:187970:224128,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)c2ccccc21,ICKWQOPMWHHLCR-UHFFFAOYSA-N
-rxn:4:187981:222806,CCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N=C3C=C(Sc4ccc(C)cc4)C(=O)c4ccccc43)cc2)cc([N+](=O)[O-])c1,KINPHIRXXYMNOD-UHFFFAOYSA-N
-rxn:4:187995:224895,CCc1cc(-c2ccc(-c3ccc(OC)cc3)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,GJCNGFGXIPMQTD-UHFFFAOYSA-N
-rxn:4:187995:226083,CCc1cc(-c2ccc3ccccc3c2OC)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,MQCJXGDKIBKHLW-UHFFFAOYSA-N
-rxn:4:188023:225346,COc1cccc(C2c3c(oc4ccc(-c5ccc(OC)c(S(=O)(=O)N(C)C)c5)cc4c3=O)C(=O)N2CC2CCCO2)c1,UIEMKGHUIJNWHR-UHFFFAOYSA-N
-rxn:4:188376:223559,COC(=O)Cc1cnc(Cl)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,WDBITEHWAPPDKW-UHFFFAOYSA-N
-rxn:4:188681:223588,Cc1cc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IMRIOPVTMGRFLX-UHFFFAOYSA-N
-rxn:4:188681:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2C)CC1,SEBLFJKSDSJUJN-UHFFFAOYSA-N
-rxn:4:188681:223743,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cc1OCCCN1CCC(C)CC1,GUDOGPIKVHMYCL-UHFFFAOYSA-N
-rxn:4:189356:223595,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,WJCSNBXTGHJDDY-UHFFFAOYSA-N
-rxn:4:189356:223596,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,DHHSXIXYBANKMP-UHFFFAOYSA-N
-rxn:4:189356:223951,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCN(C)CC2)c(F)c1,PFNKTCVYXCMGFI-UHFFFAOYSA-N
-rxn:4:189356:223985,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,KKBVDWWYDGOARZ-UHFFFAOYSA-N
-rxn:4:189517:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CC(F)(F)C4)c3)cc2C1,NGDBPKGZKNQOGS-UHFFFAOYSA-N
-rxn:4:189558:223754,CC1CCN(CCCOc2ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc2Cl)CC1,PVURTDLORAPYOT-UHFFFAOYSA-N
-rxn:4:189626:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OCC2CCOCC2)cn1,QRHUKHSSVDXQJX-UHFFFAOYSA-N
-rxn:4:189730:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCC2)cc1,XPIGMESJOOFVHL-UHFFFAOYSA-N
-rxn:4:189847:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N(C(C)=O)C4C=CS(=O)(=O)C4)cc3)cc2C)CC1,OPOJGLJVUXEYSC-UHFFFAOYSA-N
-rxn:4:189852:224811,COC(=O)c1cc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCCS1(=O)=O,BJNGXPRDPGDJLY-UHFFFAOYSA-N
-rxn:4:189931:224187,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(OCCN2CCCCC2)cc1F,MZAXTIQYGRJBPZ-UHFFFAOYSA-N
-rxn:4:189939:222396,COc1cc(C(=O)N2CCOCC2)ccc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,OLVGNSYLZLPWDZ-UHFFFAOYSA-N
-rxn:4:189965:222621,CCN1C(=O)C(=Cc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)ccc2OC)SC1=S,GNDYHARJRRSRSD-UHFFFAOYSA-N
-rxn:4:190098:223712,COc1ccc(-c2ccc(CCN3CCCCC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,MFOIOIGSLUIVAI-UHFFFAOYSA-N
-rxn:4:190103:224319,C#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1N1CCC(OC)CC1,ZUWHNVUAAOHEFB-UHFFFAOYSA-N
-rxn:4:190103:224320,C#Cc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1N1CCC(OC)CC1,AJAALRZXCHWCAR-UHFFFAOYSA-N
-rxn:4:190105:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCCC4)ncc3C(=O)OC)c(F)c2)CC1,MNEHHBNVDCQTDT-HZCBDIJESA-N
-rxn:4:190112:224407,COc1ccc(C2(C#N)CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,PKQNBNKJDYBZHE-UHFFFAOYSA-N
-rxn:4:190116:224349,CCc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,ZTCMJUWFDXSPCQ-UHFFFAOYSA-N
-rxn:4:190116:224350,CCc1cc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,QMVJOLYSBNTLEA-UHFFFAOYSA-N
-rxn:4:190124:223569,COC(=O)c1nc(C2CCCCC2)ccc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F,IECPUDAJOIYJQB-UHFFFAOYSA-N
-rxn:4:190142:224400,FC(F)(F)c1cc(-c2cccc(CN3CCC(C(F)(F)F)CC3)c2)ccc1N1CCOCC1,AJLTVBBOANGKJR-UHFFFAOYSA-N
-rxn:4:190163:225655,CC1CCN(c2cncc(-c3ccc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)cc3)c2)CC1,GRLUNYPMJWMAJA-UHFFFAOYSA-N
-rxn:4:190164:225576,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(C(F)(F)F)CC2)ccc1N1CCCC1,NVXXWCOLNGUCPB-UHFFFAOYSA-N
-rxn:4:190164:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1,JLTFJIZNXYMZBA-UHFFFAOYSA-N
-rxn:4:190164:225631,CN1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)cc2)CC1,SGFROEBXMBIREL-UHFFFAOYSA-N
-rxn:4:190164:225632,CN1CCN(c2cccc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)CC1,WGQCSNIDNUULMR-UHFFFAOYSA-N
-rxn:4:190164:225634,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(C(F)(F)F)CC2)cnc1N1CCCCC1,QHAJCJMKLJIHBA-UHFFFAOYSA-N
-rxn:4:190164:225636,CC1CCN(c2cc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)ccn2)CC1,GZGVGHMRFDLSJT-UHFFFAOYSA-N
-rxn:4:190164:225638,CC1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)cn2)CC1,HBNWZGGJNCMIEL-UHFFFAOYSA-N
-rxn:4:190164:225655,CC1CCN(c2cncc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)CC1,ASVHQQQETGPQPF-UHFFFAOYSA-N
-rxn:4:190165:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,GBXGUQUMPCRBQM-UHFFFAOYSA-N
-rxn:4:190165:225605,Cc1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)c1,KGMZSSKWMIPWQF-UHFFFAOYSA-N
-rxn:4:190165:225611,COc1cc(N2CCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,BMGOFNQPSVBDIR-UHFFFAOYSA-N
-rxn:4:190165:225632,CN1CCN(c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)c2)CC1,KVDJJTJZHCLWHJ-UHFFFAOYSA-N
-rxn:4:190165:225634,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCCCC1,RWEMXSWPKXNIPY-UHFFFAOYSA-N
-rxn:4:190165:225636,CC1CCN(c2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)ccn2)CC1,YLUGOTJSVYZFKC-UHFFFAOYSA-N
-rxn:4:190165:225638,CC1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)cn2)CC1,AOMYLTBKFXFHCV-UHFFFAOYSA-N
-rxn:4:190165:225652,CC1CCCN(c2cncc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)c2)C1,JGHMYLCQIGNXJA-UHFFFAOYSA-N
-rxn:4:190165:225654,CC1CCCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,ALSQCYMTPLTTDB-UHFFFAOYSA-N
-rxn:4:190165:225655,CC1CCN(c2cncc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCCC4)c3)c2)CC1,YPHLWKJNTYZHRE-UHFFFAOYSA-N
-rxn:4:190165:225656,CC1CCCCN1c1cncc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)c1,RWEFMRDRUZIZBU-UHFFFAOYSA-N
-rxn:4:190166:224646,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)ccc1OC1CCOCC1,OUQHPFKFEVUKLH-UHFFFAOYSA-N
-rxn:4:190166:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,NXOUZIGUULQKDM-UHFFFAOYSA-N
-rxn:4:190166:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1,VKOJMGUEQWBHBA-UHFFFAOYSA-N
-rxn:4:190171:224065,CC1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3CC3C(=O)OC(C)(C)OC3=O)cc(C3CC3)c2)CC1,UTSDOGJVDNGXEB-UHFFFAOYSA-N
-rxn:4:190175:227235,CCOc1ccc(-c2cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc2F)cc1C#N,CUVJEMZRWSYCIO-UHFFFAOYSA-N
-rxn:4:190178:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,LICHVQHQTYKTSV-UHFFFAOYSA-N
-rxn:4:190204:222695,Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(F)c2)cc1S(=O)(=O)NC1CCCC1,WNTGZGIQHLHNTE-UHFFFAOYSA-N
-rxn:4:190260:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C(C)C)cc2)cc1,CAWHXOFDZWNLRG-UHFFFAOYSA-N
-rxn:4:190274:222612,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,NYXJHVGKZZXUMJ-UHFFFAOYSA-N
-rxn:4:190328:224366,Cc1cc(S(=O)(=O)N(C)C2CCCC2)ccc1-c1ccc(OC(F)(F)F)c(OCC2CC2)c1,NAINJFXBYWYNRK-UHFFFAOYSA-N
-rxn:4:190338:225189,COC(=O)c1cc(F)c(N2CCC(C)CC2)cc1-c1cccc(CN2C(=O)CCC2=O)c1,CGLWRPGIFZIRIK-UHFFFAOYSA-N
-rxn:4:190340:224372,CC(c1cccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c1)N1CCC(C(F)(F)F)CC1,HFOYNOOLPHZKMI-UHFFFAOYSA-N
-rxn:4:190354:222989,Cc1cc(-c2ccc(N3CCNCC3)cc2C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,GRCNTWVDFMOEGJ-UHFFFAOYSA-N
-rxn:4:190354:223055,Cc1cc(-c2ccc(N3CCNCC3)nc2C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,CWSAIXQDICQUNP-UHFFFAOYSA-N
-rxn:4:190354:223184,Cc1cc(-c2cnc(N3CCNCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,ZXAPKHZSDLVNMK-UHFFFAOYSA-N
-rxn:4:190354:224991,Cc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,HOOKNWDYMCTKIZ-UHFFFAOYSA-N
-rxn:4:190354:225636,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,GIEFFJROHWDLSA-UHFFFAOYSA-N
-rxn:4:190354:225655,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,NJSHDQOSOOXETP-UHFFFAOYSA-N
-rxn:4:190354:225827,Cc1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,YQSCKUGLVVWCJQ-UHFFFAOYSA-N
-rxn:4:190354:225947,Cc1cc(-c2cnc(N3CCN(C)CC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,MZQNOKKRVYAZGA-UHFFFAOYSA-N
-rxn:4:190354:226414,Cc1cc(-c2ccc(C3=NCCCO3)cc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,GKLNILLADCQWSF-UHFFFAOYSA-N
-rxn:4:190354:226619,Cc1cc(-c2cnc(N3CCCC3)nc2C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,OZLZRBCTTPKLOF-UHFFFAOYSA-N
-rxn:4:190354:226659,Cc1cc(-c2cnc(N3CCCC3)c(Cl)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KAGGKFFXLKRZOR-UHFFFAOYSA-N
-rxn:4:190354:227403,Cc1cc(-c2ccc(N3CCCCC3)s2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,VQPHGBLVYCNZCI-UHFFFAOYSA-N
-rxn:4:190384:222950,CONS(=O)(=O)c1cc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2)ccc1OC,CSMPJAWUCQPMCT-UHFFFAOYSA-N
-rxn:4:190387:224180,CCC(=O)C1CCCN(c2cccc(C)c2-c2ccccc2OCCN2CCN(C)CC2)C1=O,YHAFNBDOKAJGHT-UHFFFAOYSA-N
-rxn:4:190410:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)cc1,KFFHQMBEJGVILK-UHFFFAOYSA-N
-rxn:4:190475:222991,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1,HJLYPBHCBOQNEN-UHFFFAOYSA-N
-rxn:4:190475:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,UGMKHXAVFUSAAA-UHFFFAOYSA-N
-rxn:4:190475:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cnc21,ZKAORFSXEHDONP-UHFFFAOYSA-N
-rxn:4:190475:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1,CPQLTSPSUFLLFJ-UHFFFAOYSA-N
-rxn:4:190475:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)s2)CC1,YEVJGTDIMXMEPH-UHFFFAOYSA-N
-rxn:4:190475:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,FDVQMWFZNPOSDN-UHFFFAOYSA-N
-rxn:4:190475:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c(Cl)c1,RZKLDFHIFYPJON-UHFFFAOYSA-N
-rxn:4:190475:224718,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1,BKZCQNZNURANBL-UHFFFAOYSA-N
-rxn:4:190475:225634,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cnc1N1CCCCC1,YWKKULAUMXQWCU-UHFFFAOYSA-N
-rxn:4:190475:225638,CC1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cn2)CC1,RTPMGRKEKDRTSY-UHFFFAOYSA-N
-rxn:4:190475:225745,CC(C)Cc1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1[N+](=O)[O-],HAZPGCDEZYHSPI-UHFFFAOYSA-N
-rxn:4:190499:223960,CCN1CCN(C(=O)c2cc(-c3c(C)cc(C)c(S(=O)(=O)N(C)C4CCCCC4)c3C)ccc2F)CC1,AAIMABDEKHZPBC-UHFFFAOYSA-N
-rxn:4:190752:222694,COc1cc(C=C[N+](=O)[O-])c2c(c1-c1cccc(S(=O)(=O)NC3CCCCC3)c1)CCCO2,NUSMMFMPCPTMPU-UHFFFAOYSA-N
-rxn:4:190772:223754,CC1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2Cl)CC1,YFOXNJCYQUTXEA-UHFFFAOYSA-N
-rxn:4:190772:223867,CC1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)c2)CC1,JRNWHJKWKVRLAW-UHFFFAOYSA-N
-rxn:4:190772:223901,CC1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2Cl)CC1,STGNNQOVOKUWDL-UHFFFAOYSA-N
-rxn:4:190772:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2)CC1,DDSJPYGPDJSJMA-UHFFFAOYSA-N
-rxn:4:190772:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)c(Cl)c1,GVOPMDHVUZJNCI-UHFFFAOYSA-N
-rxn:4:190772:223997,Cc1cc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,QXMKEPVNEWJBGR-UHFFFAOYSA-N
-rxn:4:190823:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c(F)cn2)CC1,LJBYWXLUYGRCKP-UHFFFAOYSA-N
-rxn:4:190897:224770,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCC3)c2)o1,LVPGYAKWBDEKLS-UHFFFAOYSA-N
-rxn:4:190952:224059,COc1c(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)cc1C(C)(C)C,DACFIZJUHUOBCZ-UHFFFAOYSA-N
-rxn:4:190954:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1F,VELBFJHUUNDXMM-UHFFFAOYSA-N
-rxn:4:190960:222647,Cc1cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)c(C)cc1NC(=O)OC(C)(C)C,QJDORHXQZVNMHL-UHFFFAOYSA-N
-rxn:4:190972:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1,OTFFYOYMLKJZGY-UHFFFAOYSA-N
-rxn:4:190972:225439,CC(c1cccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1)N1CCCC1,BUJKVNXDVJKFGN-UHFFFAOYSA-N
-rxn:4:190988:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c(C(C)C)c1,LYYVBNBMSMQSDP-UHFFFAOYSA-N
-rxn:4:190990:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2OCCCN3C(=O)OC(C)(C)C)cc1F,PTWQJVYNBQXWSP-UHFFFAOYSA-N
-rxn:4:191034:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cc1,KHAXWPLIXKQVFG-UHFFFAOYSA-N
-rxn:4:191042:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)c2ccccc12,LUQSZLPIZLVZON-UHFFFAOYSA-N
-rxn:4:191058:223007,COC(=O)C1CCN(C2CCc3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc32)CC1,WKWKLTJBLBXLFU-UHFFFAOYSA-N
-rxn:4:191058:225674,COC(=O)C1CCN(C2CCc3cc(-c4cnc(C5CCCCC5)cc4F)ccc32)CC1,USNSZNKPEYKTQW-UHFFFAOYSA-N
-rxn:4:191062:223216,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)CCC(=O)N2,JIHLMIQAYGFUKU-UHFFFAOYSA-N
-rxn:4:191090:224570,CC(c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1)N1CCN(C)CC1,BZAWRNAFEIJASW-UHFFFAOYSA-N
-rxn:4:191091:222600,CC(C)(C)OC(=O)Nc1nc2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)cc2s1,ICBXRTIQIYTVDH-UHFFFAOYSA-N
-rxn:4:191097:223774,COc1cccc2c1cc(-c1ccc3c(c1)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,XUTINWRTZJWEBH-UHFFFAOYSA-N
-rxn:4:191103:227073,COc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,VBGPJHKBMXYFOE-UHFFFAOYSA-N
-rxn:4:191105:222535,Cc1cccc(NC(=O)c2cccc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)c2)c1C,ILTOFHCUGWIEPC-UHFFFAOYSA-N
-rxn:4:191105:227325,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4ccc(OC(C)(C)C)nc4)c32)CC1,DQSYJMWEPBRZSL-UHFFFAOYSA-N
-rxn:4:191117:228110,CCc1cnc(C#N)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,NZCPZKXCJROYKR-UHFFFAOYSA-N
-rxn:4:191124:224272,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc32)CC1,ZMGDTVSIYZUKSG-UHFFFAOYSA-N
-rxn:4:191124:227587,COc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(F)c1OC,UWEJGYCIKDWAFI-UHFFFAOYSA-N
-rxn:4:191172:226308,CCc1cc(-c2ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc2)ccc1C(=O)OC,UICHZNQBDISADB-UHFFFAOYSA-N
-rxn:4:191195:224071,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(-c3ccc([Si](C)(C)C)cc3)cc1)c1c2CCC1,HCBBDVXPOORXCG-UHFFFAOYSA-N
-rxn:4:191195:229070,COc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cn1,UCVMNYDWZDVQRP-UHFFFAOYSA-N
-rxn:4:192772:222426,CSC1=NC(=Cc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2)C(=O)S1,HRQNKXWJMNNXNI-UHFFFAOYSA-N
-rxn:4:192772:222519,CSC1=NC(=Cc2ccc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cc2)C(=O)S1,TXSPIRHJDMJPJO-UHFFFAOYSA-N
-rxn:4:192772:222612,CSC1=NC(=Cc2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)C(=O)S1,AJHIXJZGTRCTRX-UHFFFAOYSA-N
-rxn:4:192772:223493,CSC1=NC(=Cc2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc2)C(=O)S1,LBXIWUCJYDRDIJ-UHFFFAOYSA-N
-rxn:4:192772:223499,CSC1=NC(=Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,HKDRXCHLCAHBAS-UHFFFAOYSA-N
-rxn:4:192772:223502,CSC1=NC(=Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C(=O)S1,DQJKAXYIJNASEV-UHFFFAOYSA-N
-rxn:4:192772:223506,CSC1=NC(=Cc2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,PQTQYTGSGMKQNG-UHFFFAOYSA-N
-rxn:4:192772:223521,CSC1=NC(=Cc2ccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)S1,UOQBPALKUYSWBG-UHFFFAOYSA-N
-rxn:4:192772:223541,CSC1=NC(=Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C(=O)S1,PYOZWGQNZNOZHB-UHFFFAOYSA-N
-rxn:4:192772:223648,CSC1=NC(=Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C(=O)S1,CUCLERURLMCEAU-UHFFFAOYSA-N
-rxn:4:192772:223761,CSC1=NC(=Cc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc2)C(=O)S1,AKMIYFMIECYRFK-UHFFFAOYSA-N
-rxn:4:192772:223847,CCCCCC1CCC(c2ccc(-c3ccc(C=C4N=C(SC)SC4=O)cc3)cc2)CC1,QVFUDZGOKQEGJG-UHFFFAOYSA-N
-rxn:4:193131:222740,CC(C)c1cc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc(C2CCCNC2)n1,FTRWWIJTFOOMIX-UHFFFAOYSA-N
-rxn:4:193173:223712,COc1ccc(-c2coc(CN3CCC(F)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,QPHYMCNHDXQHDO-UHFFFAOYSA-N
-rxn:4:193357:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc(F)c2F)CC1,SIBVIKATFUIVEF-UHFFFAOYSA-N
-rxn:4:193503:222720,Cc1c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)ccc(S(C)(=O)=O)c1C1=NOCC1,RRXVOIKSYCNTTE-UHFFFAOYSA-N
-rxn:4:193517:224754,O=C(c1cccc(-c2ccccc2S(=O)(=O)N2CCCCC2)c1F)N1CCC(F)(F)CC1,UQHIYYFVHFQKII-UHFFFAOYSA-N
-rxn:4:193613:222520,Cc1cc(F)c(C(=O)N2CCOCC2)cc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,IKSHCWGUMJDDAJ-UHFFFAOYSA-N
-rxn:4:193615:223904,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(F)c1C(=O)N1CCOCC1,FSUOQOLWHVHMDI-UHFFFAOYSA-N
-rxn:4:193622:224398,Cc1cc(F)c(-c2ccc(C3CCCCC3)nc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1,NEIHNDSFCQRMQJ-UHFFFAOYSA-N
-rxn:4:193626:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=S)N(C(C)C)C3=O)cc2)cc1,YZQODPCKZKQUMZ-UHFFFAOYSA-N
-rxn:4:193642:223474,FC1(F)CCCN(c2ccc(C(F)(F)F)cc2-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)C1,IHOVWYJQWNXZEL-UHFFFAOYSA-N
-rxn:4:193691:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(=C5CC5)CC4)o3)c3ccccc23)CC1,AWUKWRRLKADGPB-UHFFFAOYSA-N
-rxn:4:193766:224187,CC1CCN(C(=O)c2cccc(F)c2-c2ccc(OCCN3CCCCC3)cc2F)CC1,IMUZNOONMWKJTE-UHFFFAOYSA-N
-rxn:4:193775:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)cnc1Cl,BAMDRWSQBILVLE-UHFFFAOYSA-N
-rxn:4:193833:222573,CC1(C)COCCN1C(=O)c1cccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c1,HAWGPOVWVVQHTC-UHFFFAOYSA-N
-rxn:4:193838:223999,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,OSUBNGVPNPEQIZ-UHFFFAOYSA-N
-rxn:4:193845:222724,CS(=O)(=O)N1CCC(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,CCGLFCCVWCPLNQ-UHFFFAOYSA-N
-rxn:4:193855:222719,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,OSJFQGVUGHQEMK-TZHYSIJRSA-N
-rxn:4:193859:223998,Cc1cc(CN2CCC(F)(F)CC2)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1,PHOUVVOLJAPVAJ-UHFFFAOYSA-N
-rxn:4:193876:222826,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,XKSYKIBALPMXBW-UHFFFAOYSA-N
-rxn:4:193888:224770,Cc1cc(-c2cc(C)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,LQKROMMDEWNWKT-UHFFFAOYSA-N
-rxn:4:193961:224810,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,SLWMWDFLNDPLPL-UHFFFAOYSA-N
-rxn:4:193962:224810,Cc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,KDYUAWCWIXOESY-UHFFFAOYSA-N
-rxn:4:193963:224810,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,FJYLRCUESQPUBN-UHFFFAOYSA-N
-rxn:4:193964:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1,JTLWFXHZZASAEK-UHFFFAOYSA-N
-rxn:4:193994:224818,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,WMPZTFYWNQLFIG-UHFFFAOYSA-N
-rxn:4:193996:224664,Cc1cc(-c2cc(F)cc(CN3CCN(C)CC3)c2)c(S(=O)(=O)N2CCCC(C)C2)cc1C,OVFJHOODNPHVGG-UHFFFAOYSA-N
-rxn:4:194461:224175,COC(=O)C1(C)CCc2c(cncc2-c2cc(OC)ccc2C(=O)OCC(C)(C)C)C1=O,YPUGPAPJHGUINW-UHFFFAOYSA-N
-rxn:4:194544:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc5sc(C(=O)N6CCOCC6)cc5c4)c3C(=O)C1C2(C)C,BSURTCYUVIXGGP-UHFFFAOYSA-N
-rxn:4:194592:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1C2C=CCC1CC2,OGWPJRNYEHFWQZ-UHFFFAOYSA-N
-rxn:4:194687:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cccc2c1C1(CCN(C(=O)C(F)(F)F)CC1)CC2=O,AFKWSXGGUSFTTN-UHFFFAOYSA-N
-rxn:4:194731:224128,COC1CCN(C2CCc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)cc32)CC1,BKZONWFJUUZIBJ-UHFFFAOYSA-N
-rxn:4:194750:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,FURJRVGZHKAAAP-UHFFFAOYSA-N
-rxn:4:194750:225753,COC(=O)c1cnc(C2CC2)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)c1,WWHLHGWNXODOMJ-UHFFFAOYSA-N
-rxn:4:194750:226175,Cc1cc(N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,IUQWSGCPAUJZCI-UHFFFAOYSA-N
-rxn:4:194768:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc2c(c1)CCCC2N1CCC(OC)CC1,QGOALEDXAWAUFO-UHFFFAOYSA-N
-rxn:4:194770:222638,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)c2ccccc21,JXYMRTOHBFNOAH-UHFFFAOYSA-N
-rxn:4:194794:227474,O=C1C2C(c3ccc(-c4ccc(CC[N+](=O)[O-])cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(F)cc1,CDOYFYSUKYPQSC-UHFFFAOYSA-N
-rxn:4:194796:223939,Cc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1,HXQDPPYPCGLEAG-UHFFFAOYSA-N
-rxn:4:194810:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3c(c2)N2CCCC2=C(C(=O)OC)S3(=O)=O)CC1,PIWJZXLYTZFIIM-UHFFFAOYSA-N
-rxn:4:194853:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)c3c(n4CC4CCCCC4)CCCC3)cc2)CCCC1,JQWDQJADRMRTFC-UHFFFAOYSA-N
-rxn:4:194855:226717,CCOc1ccc(-c2ccc3c(c2)C2CC(C)(O3)N(C)C(=O)C2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-],AFUKIGRMHVOURT-UHFFFAOYSA-N
-rxn:4:195726:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)c(Cl)c(F)c3S(N)(=O)=O)cc2[N+](=O)[O-])CC1,DAPSBXXDZLKRGS-UHFFFAOYSA-N
-rxn:4:196625:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(F)c(N4CCCC4=O)c3)c2)CC1,GJVYALQWKZPJQX-UHFFFAOYSA-N
-rxn:4:196814:223687,CN1C(=O)SC(=Cc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)C1=O,KAFKGQKUZGGKSU-UHFFFAOYSA-N
-rxn:4:197057:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(N4CCC(F)(F)CC4)c3)c2)CC1,IRBISKKHMLIOBC-UHFFFAOYSA-N
-rxn:4:197057:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(N4CCC(F)(F)CC4)c3)cc2)CC1,BCBKNDIFFXIIET-UHFFFAOYSA-N
-rxn:4:197057:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(N3CCC(F)(F)CC3)c2)CC1,ZQTVJHIGHZTRQY-UHFFFAOYSA-N
-rxn:4:197059:222826,O=C1CC2(CCCC2)C(=O)N1c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,QYEIENVEHAJRJG-UHFFFAOYSA-N
-rxn:4:197293:223521,CC(c1cccc(-c2cc(C(F)(F)F)c3nccc(Cl)c3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,DUQSBMATZXIAFE-UHFFFAOYSA-N
-rxn:4:197490:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C23CC(C2)C3)nc1,FOCZGBWSZFQUIH-UHFFFAOYSA-N
-rxn:4:197632:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3CN(C3CC3)C4=O)ccn2)CC1,CILFTEHIPNRCJW-UHFFFAOYSA-N
-rxn:4:197720:223539,COc1ccc(-c2ccc3c(c2)C(S(N)(=O)=O)CCO3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ZPVLKRRISPQKHT-UHFFFAOYSA-N
-rxn:4:197903:222542,Cc1ccc(-c2cccc(C=C3C(=O)C4CCN3CC4)c2)cc1OCCCN1CCNCC1,WIELWYDERWLVTR-UHFFFAOYSA-N
-rxn:4:197988:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc2c1CCCC2N1CCC(C)CC1,GVNSIONNEIOSAM-UHFFFAOYSA-N
-rxn:4:197989:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)CCCC2N1CCCCC1C,ZJKAJTQEIXQELS-UHFFFAOYSA-N
-rxn:4:199464:224182,CCOC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1-c1ccc(OCCN2CCOCC2)c(C)c1,SHMGAYGSMNZQQG-UHFFFAOYSA-N
-rxn:4:199492:223898,CCOC(=O)C(CC(C)C)n1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cn1,XHRBSXLSBXNXPS-UHFFFAOYSA-N
-rxn:4:199518:225718,COC(COc1cccc(-c2cnccc2OC2CCN(C(=O)CCC(F)(F)F)C2)c1)OC,DYQABPDHSTZUTB-UHFFFAOYSA-N
-rxn:4:199541:223568,COC(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c(OCC(C)=Cc2cnccn2)c1,KRJDWHZLAHUNCC-UHFFFAOYSA-N
-rxn:4:199575:226794,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2cnc(N3CCSCC3)nc2)c1,AGCGTKBMXMFTFK-UHFFFAOYSA-N
-rxn:4:199637:222470,COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc(C(F)(F)F)c4)cc3)c2)cc1,NHCBQHMORNTKLG-UHFFFAOYSA-N
-rxn:4:199687:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1,BLHQBQQLVQAWFX-UHFFFAOYSA-N
-rxn:4:199692:227308,CN(C)Cc1ccc(Cl)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,OZRCMFGJFYYQKD-UHFFFAOYSA-N
-rxn:4:199697:224424,CCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(C2CCC(CCC)CC2)cc1,JWCQREYFJYTUPF-UHFFFAOYSA-N
-rxn:4:199707:225526,CCN(CC)C(=O)c1cccc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,DIQJNIKDHAVVLA-UHFFFAOYSA-N
-rxn:4:199712:223279,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(C2CCCN2)nc1,DFDMPHYMVWSJHL-UHFFFAOYSA-N
-rxn:4:199723:224306,CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cnc1C1CCN(Cc2ccccc2)C1,JVKHYAUASLESQG-UHFFFAOYSA-N
-rxn:4:199760:223167,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2ccnc(N3CCNCC3)c2)CC1,JUKDQLJVZFSPQU-UHFFFAOYSA-N
-rxn:4:199780:224570,CC(c1ccc(-c2ccc(-c3cnc(SC4CCCC4)n3-c3ccc(OC(F)(F)F)cc3)cc2)cc1)N1CCN(C)CC1,HBFJDELQONZLTR-UHFFFAOYSA-N
-rxn:4:199791:222624,COc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JLFWDJKDWFMZAL-UHFFFAOYSA-N
-rxn:4:199812:223608,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)CCN1C(=O)OC(C)(C)C,DIGKDEHSDBQEDG-UHFFFAOYSA-N
-rxn:4:199818:224830,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C(F)(F)F)nn1C1CCCCO1,HSBGDQDPFWJMMQ-UHFFFAOYSA-N
-rxn:4:199867:227188,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(Cl)c3ncccc3c2)c(C2OCCO2)c1,RDFMQNKZCVYVFJ-UHFFFAOYSA-N
-rxn:4:199875:224683,COc1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,YCUVHGMEUUXBJC-UHFFFAOYSA-N
-rxn:4:199877:227511,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(OC(C)C)c4Cl)cc3)=NC23CCCCC3)cc(OC)c1OC,SCPNMLYGBVBGQU-UHFFFAOYSA-N
-rxn:4:199896:224323,CCCC(=O)N=c1sc2cc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)ccc2n1CCOC,YHWYBZVEXBLIHP-UHFFFAOYSA-N
-rxn:4:199964:226297,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccc(F)c(COC(C)C)c3)ccc21,VSQPYVGSAVMLCI-UHFFFAOYSA-N
-rxn:4:199999:222405,CC(C)(C)OC(=O)N=c1c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2ccn1C(=O)OC(C)(C)C,OYRMBTPQMPJOPW-UHFFFAOYSA-N
-rxn:4:199999:226067,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2ccn1C(=O)OC(C)(C)C,CFLXVULHZMPPJB-UHFFFAOYSA-N
-rxn:4:200048:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)c(C)c1,LOJDTFCFVUOTLV-UHFFFAOYSA-O
-rxn:4:200048:222561,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)NCc5ccc(F)cc5)c4)cc3)[n+](C)c3ccccc32)C1,HLCAKGNZZFOODV-UHFFFAOYSA-O
-rxn:4:200048:222567,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NCc5ccccc5Cl)cc4)cc3)[n+](C)c3ccccc32)C1,UZTZLKSKTNYIGJ-UHFFFAOYSA-O
-rxn:4:200048:222587,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)cc3)[n+](C)c3ccccc32)C1,SAIUOBVRBQVRCG-UHFFFAOYSA-N
-rxn:4:200048:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)c1,DTIWKXTXECWLCE-UHFFFAOYSA-N
-rxn:4:200048:222607,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,NTBBLAGSGDRFHM-UHFFFAOYSA-O
-rxn:4:200048:222847,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)[n+](C)c3ccccc32)C1,LRUPLJHBRNWRNX-UHFFFAOYSA-N
-rxn:4:200048:223043,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,ANYRJZHZQWLFDY-UHFFFAOYSA-O
-rxn:4:200048:223057,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)[n+](C)c3ccccc32)C1,YPMMKAAQVZGFIN-UHFFFAOYSA-N
-rxn:4:200048:223065,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,URXPOAQXZGVGNN-UHFFFAOYSA-N
-rxn:4:200048:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,SNFVODWASWJMJN-UHFFFAOYSA-O
-rxn:4:200048:223179,CONC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1F,FFALUEUXKIPOPM-UHFFFAOYSA-O
-rxn:4:200048:223192,CNS(=O)(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1F,XKBHSFOETWCDSL-UHFFFAOYSA-N
-rxn:4:200048:223197,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CNC5CC5)cc4)cc3)[n+](C)c3ccccc32)C1,XVRQAEQHLRCGFD-UHFFFAOYSA-N
-rxn:4:200048:223252,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)c5c(c4)NCCO5)cc3)[n+](C)c3ccccc32)C1,VXYLUNAZUIGYHK-UHFFFAOYSA-N
-rxn:4:200048:223541,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)[n+](C)c3ccccc32)C1,ARIFMGHOBFSLKE-UHFFFAOYSA-N
-rxn:4:200048:223662,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])cc3)[n+](C)c3ccccc32)C1,KLFIOOZXMLZVEP-UHFFFAOYSA-N
-rxn:4:200048:223809,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,CZAJZBYSTYNRAF-UHFFFAOYSA-N
-rxn:4:200048:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)ccc2C)CC1,XJPTYRYPEBPNKL-UHFFFAOYSA-N
-rxn:4:200048:223932,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,OFAQYISRHXEXAK-UHFFFAOYSA-N
-rxn:4:200048:223984,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Oc5ccc(F)cc5[N+](=O)[O-])cc4)cc3)[n+](C)c3ccccc32)C1,FCYRVWXAVITGLV-UHFFFAOYSA-N
-rxn:4:200048:224614,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,WVNCDQSLXQWWPM-UHFFFAOYSA-N
-rxn:4:200048:224652,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,GYSMFYXLNGFCIC-UHFFFAOYSA-N
-rxn:4:200048:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,QGOUZYZJIJJMHG-UHFFFAOYSA-N
-rxn:4:200048:224760,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,HWNUSQQGLWJENO-UHFFFAOYSA-N
-rxn:4:200048:224765,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(F)(F)F)ccc4N4CCCC4)cc3)[n+](C)c3ccccc32)C1,FTDDORCZCNEQRH-UHFFFAOYSA-N
-rxn:4:200048:224970,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,QPRDAOLZUDUHRR-UHFFFAOYSA-N
-rxn:4:200048:225001,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCCC(F)C5)cc4)cc3)[n+](C)c3ccccc32)C1,GBFFVRXOQLVKJB-UHFFFAOYSA-N
-rxn:4:200048:225228,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)[n+](C)c3ccccc32)C1,LHXHQQHVSHLRBH-UHFFFAOYSA-N
-rxn:4:200048:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,LZTVQJKCBNYDQG-UHFFFAOYSA-N
-rxn:4:200048:225555,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,HYVBCMVCMGQLMI-UHFFFAOYSA-N
-rxn:4:200048:225556,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,JJBGLDBHENEBEU-UHFFFAOYSA-N
-rxn:4:200048:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,WOANBYNSBWWQOL-UHFFFAOYSA-N
-rxn:4:200048:225621,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OC1CCOC1,JNJUSITUTUZVOG-UHFFFAOYSA-N
-rxn:4:200048:225638,CC1CCN(c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cn2)CC1,CECBADUDTOTFCO-UHFFFAOYSA-N
-rxn:4:200048:225640,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(N5CCCCC5C)c4)cc3)[n+](C)c3ccccc32)C1,KVLQHIXHWPVERS-UHFFFAOYSA-N
-rxn:4:200048:225641,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(N5CCCC(C)C5)c4)cc3)[n+](C)c3ccccc32)C1,KIBCBLZKIXPIFS-UHFFFAOYSA-N
-rxn:4:200048:225740,CCCOc1c(Cl)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC,APJKKDZVUDBLEW-UHFFFAOYSA-N
-rxn:4:200048:225742,CCCOc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(Cl)c1OC,XYQVKOKCEKNMLB-UHFFFAOYSA-N
-rxn:4:200048:225744,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cncc(C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,OGQUITSZQBSGDG-UHFFFAOYSA-N
-rxn:4:200048:225805,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)N5CCOCC5)s4)cc3)[n+](C)c3ccccc32)C1,ATAOWFKWWOBARE-UHFFFAOYSA-N
-rxn:4:200048:225813,Cc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(F)c(OC(C)C)c1F,DQIRKUSKYWXMEK-UHFFFAOYSA-N
-rxn:4:200048:226059,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)C)cc4C(C)C)cc3)[n+](C)c3ccccc32)C1,AIQCYYAUTUOQQQ-UHFFFAOYSA-N
-rxn:4:200048:226094,CC(C)CCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,YFUHCKBRCHVMBR-UHFFFAOYSA-N
-rxn:4:200048:226096,CC(C)CCOc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,FVXZMUSTAQOZNP-UHFFFAOYSA-N
-rxn:4:200048:226098,CCCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,ZXVKSZFGSKFOOM-UHFFFAOYSA-N
-rxn:4:200048:226109,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC(C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,WXDIICZOXNESSU-UHFFFAOYSA-N
-rxn:4:200048:226127,CCOc1ccc(C(C)C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,TXUSQRSEMPNHTQ-UHFFFAOYSA-N
-rxn:4:200048:226141,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4OC4CCCC4)cc3)[n+](C)c3ccccc32)C1,PGUJDFSJCAEDML-UHFFFAOYSA-N
-rxn:4:200048:226232,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(OCCN(C)C)c4)cc3)[n+](C)c3ccccc32)C1,ZHDHGSMQJYQFKI-UHFFFAOYSA-N
-rxn:4:200048:226260,COCC(C)Oc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,NXTRZKKBUXXZCE-UHFFFAOYSA-N
-rxn:4:200048:226267,COCCOc1ccc(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,UMQZQMXXPGEIRX-UHFFFAOYSA-N
-rxn:4:200048:226299,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC5CC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,XWDXEFGEWWNGRT-UHFFFAOYSA-N
-rxn:4:200048:226311,CCCOc1ccc(C)c(F)c1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,VJUCBFOVYZKYBH-UHFFFAOYSA-N
-rxn:4:200048:226520,COc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(OC)c1OC,HATUQBIKIKVKAL-UHFFFAOYSA-N
-rxn:4:200048:226609,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C)c1Cl,WJMVIGYALMYHTB-UHFFFAOYSA-N
-rxn:4:200048:226740,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C(F)(F)F)c4C#N)cc3)[n+](C)c3ccccc32)C1,FLLCHUFCHFJVDL-UHFFFAOYSA-N
-rxn:4:200048:226755,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(Cl)cc1F,XKRSSALKIWMLRN-UHFFFAOYSA-N
-rxn:4:200048:226882,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(F)(F)F)c(F)c4F)cc3)[n+](C)c3ccccc32)C1,BCEJGZYVVZNLGN-UHFFFAOYSA-N
-rxn:4:200048:226974,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)COC5(C)C)cc3)[n+](C)c3ccccc32)C1,FDDUIAVNBOMZMF-UHFFFAOYSA-N
-rxn:4:200048:226983,CCCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,YABDTYUCQWSCJH-UHFFFAOYSA-N
-rxn:4:200048:227004,CC(C)COc1ccccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,RCHJEGAPWQBCSJ-UHFFFAOYSA-N
-rxn:4:200048:227014,CC(C)CSc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,MUUGNZIYUMXZGY-UHFFFAOYSA-N
-rxn:4:200048:227038,COc1ccc(C(C)C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,LAHSIXWTWMLUCK-UHFFFAOYSA-N
-rxn:4:200048:227045,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(SC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,UNCFVJISOQFPAN-UHFFFAOYSA-N
-rxn:4:200048:227049,CCOc1c(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,MCMVBGHOOOYJOH-UHFFFAOYSA-N
-rxn:4:200048:227075,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C(C)C)c1,NPCRPEBTMCZEFV-UHFFFAOYSA-N
-rxn:4:200048:227094,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnccc4C4CCCC4)cc3)[n+](C)c3ccccc32)C1,INEGCZVERWPTBD-UHFFFAOYSA-N
-rxn:4:200048:227121,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)(C)C)cc4Cl)cc3)[n+](C)c3ccccc32)C1,HOOCLGZJJVTPEE-UHFFFAOYSA-N
-rxn:4:200048:227185,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)[n+](C)c3ccccc32)C1,PXGQVODYLMRPLP-UHFFFAOYSA-N
-rxn:4:200048:227214,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCC#N)cc4)cc3)[n+](C)c3ccccc32)C1,WKKUIJUJQUDVRV-UHFFFAOYSA-N
-rxn:4:200048:227273,CCOc1c(OC)cccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,WUKSSPHTQIHVQX-UHFFFAOYSA-N
-rxn:4:200048:227277,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N(C)C)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,ZZWKYRWHANMWDS-UHFFFAOYSA-N
-rxn:4:200048:227278,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)[n+](C)c3ccccc32)C1,WPVXFBJXYTYSOV-UHFFFAOYSA-N
-rxn:4:200048:227330,COC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(C)c1,MRDUTENGVBCDBP-UHFFFAOYSA-N
-rxn:4:200048:227371,COc1c(C)ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1OC,NZVKFKBWRWANLH-UHFFFAOYSA-N
-rxn:4:200048:227452,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C5OCCO5)c4)cc3)[n+](C)c3ccccc32)C1,JLUMUMWOQQFTRS-UHFFFAOYSA-N
-rxn:4:200048:227458,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc5c(c4)OCCN5C)cc3)[n+](C)c3ccccc32)C1,SKGCDJTUXZWXAC-UHFFFAOYSA-N
-rxn:4:200048:227489,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N(C)C)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,FJIJSSYRGGCDGF-UHFFFAOYSA-N
-rxn:4:200048:227580,COc1cc(Cl)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1OC,RBEOKWCUQIOXLZ-UHFFFAOYSA-N
-rxn:4:200048:227592,COc1cc(F)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1OC,XLKPGZZEJNQIGT-UHFFFAOYSA-N
-rxn:4:200048:227747,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)cc4C(F)(F)F)cc3)[n+](C)c3ccccc32)C1,TVSRQFXJYTUFTH-UHFFFAOYSA-N
-rxn:4:200048:228496,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnn(CC(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,GLOODYVTKYEIRX-UHFFFAOYSA-N
-rxn:4:200057:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)cc1,NCVQMFSQCOPTNV-UHFFFAOYSA-N
-rxn:4:200065:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)cc1,ROAQVOULWLPLMQ-UHFFFAOYSA-N
-rxn:4:200424:224587,COC(=O)CCN1CCN(c2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc2)CC1,LTEWPMJLVQISBM-UHFFFAOYSA-N
-rxn:4:200469:222886,CN1CCN(CCCOc2c(F)cccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,MMNVZRVEFMFCKU-UHFFFAOYSA-N
-rxn:4:200479:224125,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)c2)CC1,ZWUWDQULZPUPDJ-UHFFFAOYSA-N
-rxn:4:200537:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)o1,IALHOHXDHTXPGS-UHFFFAOYSA-N
-rxn:4:200541:224376,COc1ccc(C(=O)N2CCC(Oc3ncccc3-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)C2)cc1F,HTNMCUGGGZRAQX-UHFFFAOYSA-N
-rxn:4:200579:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,UZFPAQLXXOQBFO-UHFFFAOYSA-N
-rxn:4:200601:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N(C(=O)N4CCCCC4)C(C)(C)C)o3)cn2)CC1,DXGNZCYLJFEKLT-UHFFFAOYSA-N
-rxn:4:200608:222947,COc1ncc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1C1CCN(C(=O)OC(C)(C)C)C1,GOAVGOLZWUEBNT-UHFFFAOYSA-N
-rxn:4:200631:226844,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S)N1CCOCC1,MYUGPTJGCYFBQD-UHFFFAOYSA-N
-rxn:4:200635:223979,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,XOKPBXPMIINVHA-UHFFFAOYSA-N
-rxn:4:200644:227227,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccc(OCC4CC4)nc3)cc2OC)CC1,FFWPMWVOHXPJRC-UHFFFAOYSA-N
-rxn:4:200645:224018,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1,QCEYLIMXMJRXFW-UHFFFAOYSA-N
-rxn:4:200671:228910,COc1c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)ccnc1Cl,WWGBKGPINNDBBQ-UHFFFAOYSA-N
-rxn:4:200691:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N(CC(C)C)C4CCCCC4)c([N+](=O)[O-])c3)cn2)CC1,APWXPUUCAWLWHL-UHFFFAOYSA-N
-rxn:4:200708:223498,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)CC1,ADBAMCPBKNVHDM-UHFFFAOYSA-N
-rxn:4:200718:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)CCN2CCN(c3ccccc3)CC2)cc1,ZAHXMLIKQWUDAG-UHFFFAOYSA-N
-rxn:4:200720:222997,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)CC1,LKCBUTKGSITZPZ-UHFFFAOYSA-N
-rxn:4:200721:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,VHJKKJNATKISPY-UHFFFAOYSA-N
-rxn:4:200725:224263,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4ccccc4)cc3C(F)(F)F)cc(C(F)(F)F)c2)CC1,LALJYEDIZBMOLZ-UHFFFAOYSA-N
-rxn:4:200735:228973,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1c(Cl)cnc(F)c1F,DPEKQWVDHSUWCG-UHFFFAOYSA-N
-rxn:4:200743:224790,CCCOc1cc(-c2ccc(OC)cc2C(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)ccc1OC(F)(F)F,FSOFHNHZUFKTFN-UHFFFAOYSA-N
-rxn:4:200774:223004,COc1cccc(C2CC(c3ccc(-c4ccc(C5CCNCC5)c(F)c4)cc3)=NN2S(C)(=O)=O)c1OC,REIVKCBXNKYGDY-UHFFFAOYSA-N
-rxn:4:200775:224683,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)SC2=S)cc1,HTDAFUJXXNAZKM-UHFFFAOYSA-N
-rxn:4:200789:228347,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cnc(N3CCC3)nc2)c(F)c1,HUMXPDLSSTVEEZ-UHFFFAOYSA-N
-rxn:4:200795:223490,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,PJOYDYYBOXFONX-UHFFFAOYSA-N
-rxn:4:200799:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,CBDQTJULAZMOQO-UHFFFAOYSA-N
-rxn:4:200800:222857,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccnc(C)c3)CC2)cc(C2CCNCC2)c1,KYRTWBNAUCDMTB-UHFFFAOYSA-N
-rxn:4:200817:227038,COc1ccc(C(C)C)cc1-c1ccccc1C(C)N1CCN(C(=O)OC(C)(C)C)CC1,MEGFSIAFTRKDEA-UHFFFAOYSA-N
-rxn:4:200822:228086,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cccc(OCC#N)c3)c2)CC1,MUBSOIWADLMXIL-UHFFFAOYSA-N
-rxn:4:200824:223669,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NXJQEJIXUQEYEN-UHFFFAOYSA-N
-rxn:4:200830:225301,COc1cc(-c2cc(OC3CCOCC3)ncc2F)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC,HPWLDNCFNSIGPF-UHFFFAOYSA-N
-rxn:4:200844:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)CC1,TVBQCLXQRNQDLF-UHFFFAOYSA-N
-rxn:4:200854:228918,COC(=O)C1CCCN(Cc2ccc(-c3cnccc3C(F)F)cc2N2CCOCC2)C1,ZRQOXCDNPGPICU-UHFFFAOYSA-N
-rxn:4:200879:227654,COc1ccc(-c2ccc(C3OCCO3)nc2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,KRQPDLBKAIOPRV-UHFFFAOYSA-N
-rxn:4:200897:225053,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(N2CCCCC2C)cc1F,BAINZCHGHXMLCF-UHFFFAOYSA-N
-rxn:4:200903:222977,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C(=O)NC4CC4)ccc3C)cc2C(C)C)CC1,QABFVKCSZWFNTL-UHFFFAOYSA-N
-rxn:4:200903:223155,CCNC(=O)c1cc(Cl)cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,FXLNONRYIPVBGE-UHFFFAOYSA-N
-rxn:4:200903:223223,CCNC(=O)c1cccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,IZXNECNIKHYHRS-UHFFFAOYSA-N
-rxn:4:200903:224128,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc2C(C)C)CC1,LIGZXYFTTZWHNN-UHFFFAOYSA-N
-rxn:4:200903:224160,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2C(C)C)CC1,IROGXDKZZCYIME-UHFFFAOYSA-N
-rxn:4:200903:224198,CCN1CCN(Cc2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3C)c(F)c2)CC1,XMZRGJZYENKVKP-UHFFFAOYSA-N
-rxn:4:200903:224292,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(S(=O)(=O)OCC(C)(C)C)c(C)c3)cc2C(C)C)CC1,KEEKMVTXYQINBT-UHFFFAOYSA-N
-rxn:4:200903:224613,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)cc2C(C)C)CC1,XXSWIHHPRPZPPR-UHFFFAOYSA-N
-rxn:4:201085:223695,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)C2=O)c2ccccc21,XKVDDTGTSTZVIB-UHFFFAOYSA-N
-rxn:4:201098:224151,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C)c(OCc4ccccc4)c(Cl)c3)ccc21,MSFWZHGNXXWMJM-UHFFFAOYSA-N
-rxn:4:201124:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,IBUIFUSJAJQTTC-UHFFFAOYSA-N
-rxn:4:201132:223123,COc1ccc2cc(-c3ccc(NC(=O)C(C)C)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,QFEWWQZGZLVWNA-UHFFFAOYSA-N
-rxn:4:201222:223539,CCOC(=O)c1cc([N+](=O)[O-])c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)[nH]1,YPKONKPYZPFMGR-UHFFFAOYSA-N
-rxn:4:201455:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(OCCN4CCOCC4)n3)cc2F)CC1,IFHODWFDNRXLGH-UHFFFAOYSA-N
-rxn:4:201622:222747,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCC3CCCO3)cc2)cc1,QTEIGUBVZKZSCC-UHFFFAOYSA-N
-rxn:4:201683:222638,CC(C)c1nc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cn1C(=O)OC(C)(C)C,FBHNIPJRUZFURD-UHFFFAOYSA-N
-rxn:4:201694:222584,CCOC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,SJANPGJYIZUDOV-UHFFFAOYSA-N
-rxn:4:201759:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cncc(CC(=O)N2CCC(C(F)(F)F)CC2)c1,XNDXUAJSADVSHS-UHFFFAOYSA-N
-rxn:4:201817:222584,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,ZXAXVZOQKOWBRW-UHFFFAOYSA-N
-rxn:4:201870:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c1,IGWXMIIDXJXEPE-UHFFFAOYSA-N
-rxn:4:201950:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,VNEWRTFVYSTXPE-UHFFFAOYSA-N
-rxn:4:201975:222693,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,BPBZTLFAOOEKME-UHFFFAOYSA-N
-rxn:4:201979:228098,CCN(C)c1ccc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cn1,HAURKJZPLSTUFS-UHFFFAOYSA-N
-rxn:4:201979:228305,COc1ccc(-c2cnc(OC(C)C)cn2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,JCJMITUXTFABQQ-UHFFFAOYSA-N
-rxn:4:202001:225898,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cnn(CCN3CCOCC3)c2)c1,SZQYWYAFJBIXLH-UHFFFAOYSA-N
-rxn:4:202018:225869,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(N2CCOCC2)c(Cl)c1,DFMWKTBRSSULPM-UHFFFAOYSA-N
-rxn:4:202023:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1cc(CN2CCN(C3CC3)CC2)cc(C(F)(F)F)c1,VBEYQKSWSZXGOU-UHFFFAOYSA-N
-rxn:4:202023:224349,FC(F)(F)c1cc(CN2CCN(C3CC3)CC2)cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)c1,BHTLYIBKAYYFQD-UHFFFAOYSA-N
-rxn:4:202068:224680,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cc(C(=O)N2CCCCC2)ccc1F,ALVXURJSXXWRCB-UHFFFAOYSA-N
-rxn:4:202070:223941,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc2)C(=O)C1,LDOQESLKYNTFQV-UHFFFAOYSA-N
-rxn:4:202075:223075,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cn2)C1=O,ZYYCEGHHMVQMHL-UHFFFAOYSA-N
-rxn:4:202097:223880,Cc1ccc2c(c1)cc(-c1cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,BKVJHZLOGRWQIH-UHFFFAOYSA-N
-rxn:4:202098:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1F,YIBAALBVIWTPHV-UHFFFAOYSA-N
-rxn:4:202105:225613,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(OC4CCCCC4)c3)nc2)C1,MEXRTFIHVUPNNT-UHFFFAOYSA-N
-rxn:4:202106:222622,CCC(C)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)cc(C2CCCNC2)n1,SXCQKNKPLVNYEZ-UHFFFAOYSA-N
-rxn:4:202115:224157,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cn2)CC1,QZSPIGZCKJBWBP-UHFFFAOYSA-N
-rxn:4:202117:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnccc1OC1CCN(CC2CCCCO2)C1,NURGTBLDPKMBGR-UHFFFAOYSA-N
-rxn:4:202125:224746,CCN1CCN(C(=O)C2(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)CC2)CC1,VWSDUDRKLHZYNU-UHFFFAOYSA-N
-rxn:4:202134:225329,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC(F)(F)F)c(C#N)c3)c(Cl)c2)CC1,SSPIVUPSOWIJMC-UHFFFAOYSA-N
-rxn:4:202142:225220,CC1CCCCN1c1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCC(F)(F)CC3)n2)cc1Cl,MHLHKOXXSXIBGN-UHFFFAOYSA-N
-rxn:4:202152:222604,COc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1,WKZFUPLOFOIEOV-UHFFFAOYSA-N
-rxn:4:202152:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1,TZPASIUNGLLPER-UHFFFAOYSA-N
-rxn:4:202162:222940,CC(C)Oc1cccc(-c2cncc(S(=O)(=O)NC(C)(C)C)c2)c1CN1CCN(C)CC1,AMBDVKFOQXOBTB-UHFFFAOYSA-N
-rxn:4:202197:223177,CS(=O)(=O)NCc1ccc(-c2ccc(CN3CCOC(C(=O)N4CCSCC4)C3)cc2)cc1,XPISFHDRFCKLDY-UHFFFAOYSA-N
-rxn:4:202223:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,PHIBPXJJRAUHRB-UHFFFAOYSA-N
-rxn:4:202223:223182,CCNS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,SLBMBJCEFWSIRR-UHFFFAOYSA-N
-rxn:4:202236:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,DTXABBURNLPSDG-UHFFFAOYSA-N
-rxn:4:202263:222441,CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1,POEVPXCHDQWDBZ-UHFFFAOYSA-N
-rxn:4:202284:224650,COc1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1CN1CCC(N2CCCC2)CC1,SSOWUHUAQVWACJ-UHFFFAOYSA-N
-rxn:4:202310:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,YRVUIDVJZXDPTF-UHFFFAOYSA-N
-rxn:4:202328:222693,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)CC1,PLCCUDFRJUBNKO-UHFFFAOYSA-N
-rxn:4:202340:222961,CCCCNC(=O)c1cccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)o2)c1,HPTDTZULSQYJCS-UHFFFAOYSA-N
-rxn:4:202355:222855,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3cc(OC)cc(C4CCCNC4)c3)c2C)CC1,HXHCMZTZXQFZDH-UHFFFAOYSA-N
-rxn:4:202540:224377,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cccc2c1N1CCOCC1,LQCYZIBYFRRYAN-UHFFFAOYSA-N
-rxn:4:202595:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c2ccccc12,XFXNGUSXYYJYMW-UHFFFAOYSA-N
-rxn:4:202599:223167,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccnc(N5CCNCC5)c4)c3)N2C1=O,IYPVORFZWOIIHD-UHFFFAOYSA-N
-rxn:4:202599:224319,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)c3)N2C1=O,BMWWMTTVGQXMFI-UHFFFAOYSA-N
-rxn:4:202607:222611,CCOC(=O)c1cnc2c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cccc2c1N1CCC(F)(F)CC1,ZBSIERFZBAFXIM-UHFFFAOYSA-N
-rxn:4:202655:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1C,IFSHIZZIDYBSPE-UHFFFAOYSA-N
-rxn:4:202662:225232,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cnc(Cl)c(N4CCC(C)CC4)c3)c2)N2C(=O)C(C)SC2=N1,CPJITGOWHFVWCA-UHFFFAOYSA-N
-rxn:4:202683:223798,O=C(Cc1ccc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,MKAYTTKTWMYMFF-UHFFFAOYSA-N
-rxn:4:202707:224669,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc3F)C3CS(=O)(=O)CC32)c1,CTACGNNDXTZJAC-UHFFFAOYSA-N
-rxn:4:202723:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1,IVHWLALGIJAGDH-UHFFFAOYSA-N
-rxn:4:202732:224746,COc1ccc2[nH]cc(CCN3Cc4cc(-c5ccc(N6CCN(C(C)=O)CC6)nc5)ccc4OC(C)C3=O)c2c1,AGZCXJGURZFKEU-UHFFFAOYSA-N
-rxn:4:202734:224691,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)cc1)N1CC2(COC2)C1,ASCLYBWFKLIHPV-UHFFFAOYSA-N
-rxn:4:202756:224710,CCCCOc1cc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCCCC4)C2=O)C(=O)N3CCCC)cc(C(F)(F)F)c1,HQXASXKRSUIMBI-UHFFFAOYSA-N
-rxn:4:202778:224075,CCn1c2c(c3cc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)ccc31)CN(C(=O)OC(C)(C)C)CC2,MLSQUHLFVMAHDW-UHFFFAOYSA-N
-rxn:4:202780:222524,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4c3=O)C(=O)N2c2nccs2)c1,BMOOFVBJAYCBKZ-UHFFFAOYSA-N
-rxn:4:202786:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCCC4)cc1,RJEUQNYZVQZWSH-UHFFFAOYSA-N
-rxn:4:202812:222809,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)ccc2OC3c2ccccc2)cc1,GUCNHMSKDNHKCS-UHFFFAOYSA-N
-rxn:4:202819:222543,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)ccc2OC3c2ccc(C(C)C)cc2)cc1,VEBZDSAPKCTODM-UHFFFAOYSA-N
-rxn:4:202928:223504,CCOC(=O)c1ccnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,SEWIMMFNKVIAEZ-UHFFFAOYSA-N
-rxn:4:203100:223491,CCCOc1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(C)n1,QXYUARAIWUORDZ-UHFFFAOYSA-N
-rxn:4:203245:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nc(C(=O)ON2C(=O)CCC2=O)ccc1F,PCJWIPIOYZCEOW-UHFFFAOYSA-N
-rxn:4:203253:223598,O=[N+]([O-])c1cnc(Oc2ccc(F)cc2F)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,VCBBHDIXHUURJZ-UHFFFAOYSA-N
-rxn:4:203638:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)NN4CCOCC4)cc3)cc2)CC1,UJJYUVAFYUOZEQ-UHFFFAOYSA-N
-rxn:4:203692:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,MFYRNQWXMCEVNP-UHFFFAOYSA-N
-rxn:4:203709:223032,CCCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(F)c1,RLQHQWLZYADWIQ-UHFFFAOYSA-N
-rxn:4:203712:222845,CC(c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1)N1CCNCC1,COITVBMGEWARJY-UHFFFAOYSA-N
-rxn:4:203712:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,YDCIXTBWLIIJQD-UHFFFAOYSA-N
-rxn:4:203712:223054,CC(c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)s1)N1CCC(O)C1,FCQSVRLOZSGWCB-UHFFFAOYSA-N
-rxn:4:203712:223084,O=S(=O)(c1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1)N1C=CC(C(F)(F)F)=NCC1,TXCDEDDYADPGQG-UHFFFAOYSA-N
-rxn:4:203712:223106,O=S(=O)(c1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)cc1)N1C=CC(C(F)(F)F)=NCC1,OFYQHXZPNVIRST-UHFFFAOYSA-N
-rxn:4:203712:225576,N#Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1N1CCCC1,RYZCDMKFTSRBLQ-UHFFFAOYSA-N
-rxn:4:203712:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,YCUSAKNWIQJCHG-UHFFFAOYSA-N
-rxn:4:203757:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,WEMASIVYTBGGGA-UHFFFAOYSA-N
-rxn:4:203757:222989,Cc1cc(N2CCNCC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KVCMEFPLRGUIAU-UHFFFAOYSA-N
-rxn:4:203757:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,DQSFEFVFEHHHMZ-UHFFFAOYSA-N
-rxn:4:203757:225455,Cc1ccc(N2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,OHDZCARDEFZLHM-UHFFFAOYSA-N
-rxn:4:203757:225462,CC1CCN(c2cccc(-c3cncc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)c2)CC1,WEDVVQLBNPYSKZ-UHFFFAOYSA-N
-rxn:4:203757:225577,N#Cc1cc(N2CCCC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,PQIBHIOCPUMGOP-UHFFFAOYSA-N
-rxn:4:203775:224323,COC1CCN(S(=O)(=O)c2cncc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)c2)CC1,PDSVPSNNKUULJX-UHFFFAOYSA-N
-rxn:4:203841:226261,CCOc1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc1OCC,TYHOEVSFOFIFRO-UHFFFAOYSA-N
-rxn:4:203885:224810,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,OISCLVJHDHPVRH-UHFFFAOYSA-N
-rxn:4:203886:224607,COc1cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)ccc1C(=O)N1CCN(C)CC1,SZEGXWIXYWTIAT-UHFFFAOYSA-N
-rxn:4:203887:224810,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,URCVOJYSODBOCQ-UHFFFAOYSA-N
-rxn:4:203895:224810,CCS(=O)(=O)N1CCN(c2ccccc2-c2cnc(N3CCCC3)c(C(F)(F)F)c2)CC1,LUEWESRQXYTNDF-UHFFFAOYSA-N
-rxn:4:203897:222742,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CC1,PTZLJMPXGRZYES-UHFFFAOYSA-N
-rxn:4:203897:224810,CCS(=O)(=O)N1CCN(c2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,DYYUDLFJWJDMHW-UHFFFAOYSA-N
-rxn:4:203914:226663,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)c(C(F)(F)F)c2)CC1,MIRYIVYBLLJDPF-UHFFFAOYSA-N
-rxn:4:203952:224243,CC(=O)N1CCCC(Cc2cncc(-c3cc(F)cc(C(=O)N4CCCCC4C)c3)c2)CC1,ZOPTYXILNDGREE-UHFFFAOYSA-N
-rxn:4:203968:222523,CN(C)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c(F)c2)CC1,XEOVNOJKOPOGMN-UHFFFAOYSA-N
-rxn:4:203972:225737,CCCCOc1c(F)ccc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)c1F,GUOKEWJFQFMUEY-UHFFFAOYSA-N
-rxn:4:203977:224937,CCOC(=O)C1(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)CSC4=O)CC3)cc2)CC1,PETYVQOIZLEGOJ-UHFFFAOYSA-N
-rxn:4:204000:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)c(F)c2)CC1,RTEZLYMWPKBFBI-ALOJWSFFSA-N
-rxn:4:204008:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)cc1,XGFNSOWEGGJNTF-UHFFFAOYSA-N
-rxn:4:204012:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(S(=O)(=O)N2CCC(N(C)C)CC2)c1,WWQPKMUNFMDRES-UHFFFAOYSA-N
-rxn:4:204021:225218,CC1CCCN(c2ncc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)cc2Cl)C1,WRDRCTODTBWFAZ-UHFFFAOYSA-N
-rxn:4:204025:225313,CN1CCN(Cc2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2S(C)(=O)=O)CC1,YBCBQNCXANWUQL-UHFFFAOYSA-N
-rxn:4:204029:224991,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1,VDGANDZIJUHAHN-UHFFFAOYSA-N
-rxn:4:204093:224656,COc1ccc(-c2cncc(CC3CCCN(C(C)C)CC3)c2)c(F)c1OC1CCCC1,XBIQDDNEXZEWIZ-UHFFFAOYSA-N
-rxn:4:204104:223480,Cc1cc(-c2cccc(N3CCN(C(=O)C4CCCC4)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OSVZDBUUUZURPX-UHFFFAOYSA-N
-rxn:4:204109:225256,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)nc3ccccc23)CC1,DVZLTCWLMCRPKU-UHFFFAOYSA-N
-rxn:4:204128:222849,N#Cc1cc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCC4)cc2)ccc1C1CCNCC1,LCXJGNQJQPASPM-UHFFFAOYSA-N
-rxn:4:204130:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc1,UZDIIEPSJSFEEH-UHFFFAOYSA-N
-rxn:4:204131:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)cc1,IDDUOKPUSJDQKI-UHFFFAOYSA-N
-rxn:4:204135:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,PPZFICLNNLKFCR-UHFFFAOYSA-N
-rxn:4:204137:225774,CC(C)OC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)ccc1F,ZVPMXOHYAHIQOW-UHFFFAOYSA-N
-rxn:4:204172:226182,CC1CCN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCCCC2)CC1,HZUBSBHYTQPRBP-UHFFFAOYSA-N
-rxn:4:204180:223697,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)c(C)cc3C)CC2)c(C)c1,QCGKZAKAGAPENN-UHFFFAOYSA-N
-rxn:4:204182:223684,Cc1cc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,PWZJJFDFZLAAAL-UHFFFAOYSA-N
-rxn:4:204514:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cnc2C1,IWOHXFOBCKKSQX-UHFFFAOYSA-N
-rxn:4:204644:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,FQIIZPAWZTXOCF-UHFFFAOYSA-N
-rxn:4:204655:223559,CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc12,PHVADGNRMUWVQA-UHFFFAOYSA-N
-rxn:4:204682:224490,Cc1cc2c(c(-c3ccccc3OCCN3CCCCC3)n1)CN(C(=O)OC(C)(C)C)CC2,CRBIYBRTYKLYIP-UHFFFAOYSA-N
-rxn:4:204683:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cnc21,IODCHDNUBYETLS-UHFFFAOYSA-N
-rxn:4:204700:227528,COC(=O)c1ccc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)cc1F,AZTNWQCODBYZCS-UHFFFAOYSA-N
-rxn:4:204722:228306,CC(C)Sc1ncc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)cn1,RFWPDVYULINSQX-UHFFFAOYSA-N
-rxn:4:204723:228388,Cc1cnc(C(F)F)cc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,PIGZVYFVTCEGRI-UHFFFAOYSA-N
-rxn:4:204740:225308,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)ccc21,CSPCBCZHTIFQDB-UHFFFAOYSA-N
-rxn:4:204764:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)cc1S(=O)(=O)N1CCOCC1,GMWAFYWMGSEBNT-UHFFFAOYSA-N
-rxn:4:204764:225232,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)cc3)cnc2Cl)CC1,SQYNLMHJYPTDQX-UHFFFAOYSA-N
-rxn:4:204796:226364,O=C(C1=CN(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,GVNAWHDLJHQQLZ-UHFFFAOYSA-N
-rxn:4:204796:226395,O=C(C1=CN(c2ccc(-c3cncc(N4CCCCC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,VYXZTCGGBBYCGM-UHFFFAOYSA-N
-rxn:4:204797:226395,O=C(C1=CN(c2cccc(-c3cncc(N4CCCCC4)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,PNVKPWNDNKCYKI-UHFFFAOYSA-N
-rxn:4:204798:226364,O=C(C1=CN(c2cccc(-c3ccc(N4CCCCC4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,PKDSVLAOMGHLDB-UHFFFAOYSA-N
-rxn:4:204798:226395,O=C(C1=CN(c2cccc(-c3cncc(N4CCCCC4)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,YIQRLBUSDZUQEU-UHFFFAOYSA-N
-rxn:4:204799:226395,O=C(C1=CN(c2ccc(-c3cncc(N4CCCCC4)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,OQMRXTTZGHWGNE-UHFFFAOYSA-N
-rxn:4:204829:226371,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(N2CCCC2)cc1C,JLHCYRJUCWIAHG-UHFFFAOYSA-N
-rxn:4:204829:226414,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(C2=NCCCO2)cc1,XIECUYFQYAREDO-UHFFFAOYSA-N
-rxn:4:204833:226366,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccnc(N2CCCCC2)c1,FHSDLTRRBVKDRC-UHFFFAOYSA-N
-rxn:4:204833:226414,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(C2=NCCCO2)cc1,DMLRBRLXFKDANE-UHFFFAOYSA-N
-rxn:4:204834:226364,O=C(C1=CN(c2cccc(-c3ccc(N4CCCCC4)nc3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,IFJKERROGPZSTD-UHFFFAOYSA-N
-rxn:4:204834:226395,O=C(C1=CN(c2cccc(-c3cncc(N4CCCCC4)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,BOMYKMUIQHUSFH-UHFFFAOYSA-N
-rxn:4:204835:226395,O=C(C1=CN(c2ccc(-c3cncc(N4CCCCC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,IPBPSNRQHNTMMM-UHFFFAOYSA-N
-rxn:4:204860:224834,COc1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,UCQLCTRLGUQCIN-UHFFFAOYSA-N
-rxn:4:204864:225312,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(N2CCCN(C)CC2)nc1,CJHUQPUAXGEQGL-UHFFFAOYSA-N
-rxn:4:204864:226412,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(F)cc(N2CCCC2)c1,WOALHRRRAABORO-UHFFFAOYSA-N
-rxn:4:204864:226417,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(Cl)cc(N2CCCC2)c1,ITKUVLXUEFIYHE-UHFFFAOYSA-N
-rxn:4:204865:226366,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccnc(N5CCCCC5)c4)c3)c3ccccc3S2(=O)=O)CC1,XCGQQRBWMUKHEV-UHFFFAOYSA-N
-rxn:4:204869:226366,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccnc(N2CCCCC2)c1,ADYOHCUXUJZGAK-UHFFFAOYSA-N
-rxn:4:204869:226414,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(C2=NCCCO2)cc1,YUNAOULSKAHAGO-UHFFFAOYSA-N
-rxn:4:204870:226366,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccnc(N2CCCCC2)c1,KAZSKKQMEHFJNM-UHFFFAOYSA-N
-rxn:4:204870:226414,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(C2=NCCCO2)cc1,SMPKIHWUSCTPGC-UHFFFAOYSA-N
-rxn:4:204876:224820,Cc1cc(C)c(N2CCN(C(=O)c3cc4cc(-c5cccc(S(=O)(=O)N6CCOCC6)c5)ccc4oc3=O)CC2)c(C)c1,VHFKDLRPDOYDQB-UHFFFAOYSA-N
-rxn:4:204877:226412,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(F)cc(N2CCCC2)c1,CVNAHGRSZOEULN-UHFFFAOYSA-N
-rxn:4:204877:226414,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(C2=NCCCO2)cc1,LTOKRMVVDROWJG-UHFFFAOYSA-N
-rxn:4:204898:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4[nH]c5c(c34)CN(C(=O)OC(C)(C)C)CC5)c(F)ccc21,OVUBHRKFZIWNLN-UHFFFAOYSA-N
-rxn:4:204910:223697,COc1cccc(C2c3c(oc4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cc4c3=O)C(=O)N2c2nccs2)c1,VKODXRWXWWYKGV-UHFFFAOYSA-N
-rxn:4:204945:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4C(=S)N(c5cccc(C)c5)C5(C)CC4c4ccccc4O5)o3)cn2)CC1,ARJDOWFIZAPOHP-UHFFFAOYSA-N
-rxn:4:205897:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(C(=O)N4CCOCC4)cs3)cc2F)CC1,QEBRUWVIMXBTDN-UHFFFAOYSA-N
-rxn:4:205970:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CC(C(F)(F)F)C3)c(F)c2)CC1,BAIOOJDRYHHREM-UHFFFAOYSA-N
-rxn:4:206161:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCC4)cn3)c(F)cc2C)CC1,PVNMSNMLHKPXCT-UHFFFAOYSA-N
-rxn:4:206392:223699,N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1N1CCOCC1,HWPKUOYVIHNRSX-UHFFFAOYSA-N
-rxn:4:206431:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)ccn2)CC1,DVFHNQZALOTJGB-UHFFFAOYSA-N
-rxn:4:206448:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,LNQKMIGWJQSSQM-UHFFFAOYSA-N
-rxn:4:206505:223712,COc1ccc(-c2cnc(OC3CCN(C)C3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,JQNZLXFNPHRZDK-UHFFFAOYSA-N
-rxn:4:206638:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCC(F)(F)C4)cc3C#N)c(F)ccc21,RUJFDYJUPMQYGO-UHFFFAOYSA-N
-rxn:4:206667:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(C(C)(C)C)nc(C4CC4)n3)c2)C1,UFXUODSPNNLYDK-UHFFFAOYSA-N
-rxn:4:206679:223492,Cc1cc(-c2cncnc2CC2CCCCC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VIZIQZNJNMINAA-UHFFFAOYSA-N
-rxn:4:206697:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)cc2F)CC1,AVZSJLNHDYDYGR-UHFFFAOYSA-N
-rxn:4:206714:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)nc1,KNBPWRROXFCYNE-UHFFFAOYSA-N
-rxn:4:206729:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(N3CCC(C(F)(F)F)CC3)n2)CC1,XXJBFZPIDXHSKY-UHFFFAOYSA-N
-rxn:4:206737:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnccc1N1CCC(C(F)(F)F)CC1,MWLIBZOGVMTZAP-UHFFFAOYSA-N
-rxn:4:206737:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)cc2)CC1,KCXJXBYKWNKMIL-UHFFFAOYSA-N
-rxn:4:206738:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCCCC4)cc3C(F)(F)F)cc2C1,QJJCBFMPCOIARD-UHFFFAOYSA-N
-rxn:4:206750:224424,CCCC1CCC(c2ccc(-c3cc(N4CCC(F)(F)C4)c([N+](=O)[O-])cc3C)cc2)CC1,VZSGLKUUKKKVSG-UHFFFAOYSA-N
-rxn:4:206758:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(Cl)cnc1N1CCC(C(F)(F)F)CC1,LBFCNIMYZQZKKZ-UHFFFAOYSA-N
-rxn:4:206759:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,OXVXONLOUJCPBP-UHFFFAOYSA-N
-rxn:4:206759:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)cc2)CC1,GUWGGTMCNPPVGZ-UHFFFAOYSA-N
-rxn:4:206759:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)CC1,FQUTVIIUGSOKIP-UHFFFAOYSA-N
-rxn:4:206759:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,OOBDUPYCCMUHFW-UHFFFAOYSA-N
-rxn:4:206759:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,AKIIVFBHJBWOSE-UHFFFAOYSA-N
-rxn:4:206759:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)cc(S(=O)(=O)N2CCCC2)c1,RRPRILNSGCMLSG-UHFFFAOYSA-N
-rxn:4:206761:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(F)c1,HIMSRVWFSXTYIJ-UHFFFAOYSA-N
-rxn:4:206761:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)cc2)CC1,UUINSLRJTKEBFA-UHFFFAOYSA-N
-rxn:4:206761:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)CC1,HQBOZMJKARPBFT-UHFFFAOYSA-N
-rxn:4:206761:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(F)c1,FBAZQLUPONIDAS-UHFFFAOYSA-N
-rxn:4:206761:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(F)c1,DSVOTSAIRUYSFX-UHFFFAOYSA-N
-rxn:4:206761:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)cc(S(=O)(=O)N2CCCC2)c1,AHHCTCJBTKIMDR-UHFFFAOYSA-N
-rxn:4:206913:223712,CCC1CCCCN1c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,HCFQKIQLRNCCGR-UHFFFAOYSA-N
-rxn:4:206944:223636,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)nc2)CC1,DSKNJOHYYQAXEO-UHFFFAOYSA-N
-rxn:4:206946:222723,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)C1,YBNACDCEHJPYFG-UHFFFAOYSA-N
-rxn:4:206954:223652,COc1ccc(Cl)c2cc(-c3cc(S(N)(=O)=O)ccc3N3CCCCC3)n(C(=O)OC(C)(C)C)c12,JSPRPMSOINCKKL-UHFFFAOYSA-N
-rxn:4:206963:222604,COc1ccc(-c2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)NC1CCCC1,XIIYVMYJTDTGFI-UHFFFAOYSA-N
-rxn:4:206963:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)c(F)ccc21,FQZIJVSNAZSRIT-UHFFFAOYSA-N
-rxn:4:206964:224336,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)CC1,DOWTTYYAYFHRKY-UHFFFAOYSA-N
-rxn:4:206979:224366,CN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)CC1,HQAVEHSFNMINAU-UHFFFAOYSA-N
-rxn:4:206981:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,GTXNLNAAMMTVOH-UHFFFAOYSA-N
-rxn:4:206981:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)ccc1S(=O)(=O)N1CCCCC1,CDPUKRNPNKBQMP-UHFFFAOYSA-N
-rxn:4:206990:224975,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CC1,NEDBTSPAGQZWJR-UHFFFAOYSA-N
-rxn:4:206990:224991,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C3CC3)nc(N3CCCC3)c2)CC1,JBOZUCVTQPGWFO-UHFFFAOYSA-N
-rxn:4:206991:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CS(=O)(=O)C(=CN(C)C)C3=O)cc2)c1,QLTREAXFGWGINT-UHFFFAOYSA-N
-rxn:4:207061:222693,CN1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,KMJLPRVJSVLNFY-UHFFFAOYSA-N
-rxn:4:207081:225976,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccnc(N4CCOCC4)c3F)c1)C2,ZFAFNQZFRDTDHX-UHFFFAOYSA-N
-rxn:4:207725:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4[nH]c(C(=O)N5CCC(F)(F)CC5)cc4c3)c2)CC1,BLRPEPSEOIWDBL-UHFFFAOYSA-N
-rxn:4:207725:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH]c(C(=O)N5CCC(F)(F)CC5)cc4c3)cc2)CC1,CZUROLYLXZSNJR-UHFFFAOYSA-N
-rxn:4:207795:222784,CC(C)(C)OC(=O)Nc1ccc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,MMBOIMMICQGFEW-UHFFFAOYSA-N
-rxn:4:207856:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)cc1,XJERBQNWBDSZLK-UHFFFAOYSA-N
-rxn:4:207899:223606,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c2)c1)N(c1nccs1)C3=O,WMLRCLDQQAGNNP-UHFFFAOYSA-N
-rxn:4:208792:223504,CN(C)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(Cl)n1,WIAZQWHUEFOOLJ-UHFFFAOYSA-N
-rxn:4:209770:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCC(F)(F)CC3)c2)CC1,MEGCAKXMWPHGON-UHFFFAOYSA-N
-rxn:4:209784:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(F)(F)CC4)c3)cn2)CC1,JCPNLWKHPQTAPQ-UHFFFAOYSA-N
-rxn:4:209784:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCC(F)(F)CC4)c3)ccn2)CC1,GLZNKLMFWHFZIK-UHFFFAOYSA-N
-rxn:4:209787:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3N3CCC(F)(F)CC3)ccn2)CC1,BMKJPBQFJHSXPY-UHFFFAOYSA-N
-rxn:4:209800:223697,Cc1cnc(N2CCOCC2)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1,DVCZFGWZHOMTCE-UHFFFAOYSA-N
-rxn:4:209894:223835,Cc1ccc(N2CCN(C)CC2)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,DMRRBFJAYWVKMX-UHFFFAOYSA-N
-rxn:4:211073:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(c2)N2CCCCC2=C(C#N)S3(=O)=O)c1,WZFGPIGKUYCTQW-UHFFFAOYSA-N
-rxn:4:212492:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)cc2)CC1,TUOLJEBQNZDICU-UHFFFAOYSA-N
-rxn:4:212524:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)o2)cc1,LIDFEOMTJUHKJJ-UHFFFAOYSA-N
-rxn:4:212542:224686,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCCCC4)cc3F)cn2)C1,BUTQRQPBXLOKGS-UHFFFAOYSA-N
-rxn:4:212542:225548,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(CC)ccc3C(=O)OCC)cn2)C1,DKKZRTCYJBCLCZ-UHFFFAOYSA-N
-rxn:4:212568:222571,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2Cl)cc1,HPHBYAPPMOJNKR-UHFFFAOYSA-N
-rxn:4:212568:222580,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cc1,LYVBTUHQGQYPRS-UHFFFAOYSA-N
-rxn:4:212568:222776,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1,QBTIZXFZVZBPEM-UHFFFAOYSA-N
-rxn:4:212568:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KXWXODJRJGNSSR-UHFFFAOYSA-N
-rxn:4:212568:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,RBIWGWLTKHZEDK-UHFFFAOYSA-N
-rxn:4:212568:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)cn1,ODTSKNWHOBNDMU-UHFFFAOYSA-N
-rxn:4:212568:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,IDRIZEGQMWKCGW-UHFFFAOYSA-N
-rxn:4:212568:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,PZMCLPNGYQEDJO-UHFFFAOYSA-N
-rxn:4:212568:223000,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1,QTONGHKANWIOGR-UHFFFAOYSA-N
-rxn:4:212568:223007,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1,KVNKPGPPTJZCIZ-UHFFFAOYSA-N
-rxn:4:212568:223025,CCCNC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,WWMPUQRTHOEOQZ-UHFFFAOYSA-N
-rxn:4:212568:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cs1,WMJIPKHBQVUUIE-UHFFFAOYSA-N
-rxn:4:212568:223074,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1,WMROEVMOYLLOOB-UHFFFAOYSA-N
-rxn:4:212568:223122,CC(C)C(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,LQIURNRADPHCHZ-UHFFFAOYSA-N
-rxn:4:212568:223203,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C3(O)CCC3)c2)cc1,UQHTVLZRVNNIPR-UHFFFAOYSA-N
-rxn:4:212568:223254,CC(=O)NCc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,NTIUHSRNEUPQBR-UHFFFAOYSA-N
-rxn:4:212568:223259,CC(=O)Nc1cc(C)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,FNXLUXJLFKTJTJ-UHFFFAOYSA-N
-rxn:4:212568:223482,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,GOTRABIHEVUHNL-UHFFFAOYSA-N
-rxn:4:212568:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,CYSSPYLXXXWQSX-UHFFFAOYSA-N
-rxn:4:212568:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2Cl)CC1,LNPBEPLBSKKILB-UHFFFAOYSA-N
-rxn:4:212568:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc1)n2C(=O)OC(C)(C)C,USYFUXAJWFJCSE-UHFFFAOYSA-N
-rxn:4:212568:223578,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1,JEXCOGGGXJILLS-UHFFFAOYSA-N
-rxn:4:212568:223599,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cc(C(F)(F)F)ccc21,TUPOXFFIUHAXFP-UHFFFAOYSA-N
-rxn:4:212568:223674,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)cc1,TXSXUGUWCKNSIM-UHFFFAOYSA-N
-rxn:4:212568:223675,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1,MHJLSQJXCPRMND-UHFFFAOYSA-N
-rxn:4:212568:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,VKCBHJVLHQSKSL-UHFFFAOYSA-N
-rxn:4:212568:223770,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2c(C#N)cccc21,PVQNDCZCSWUDBL-UHFFFAOYSA-N
-rxn:4:212568:223862,CCCCc1ccc(-c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(F)c2)cc1,ANQBKSRQZGZVRD-UHFFFAOYSA-N
-rxn:4:212568:223923,CN(C(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F)C1CCCCC1,INOXMIAZFXTZEX-UHFFFAOYSA-N
-rxn:4:212568:223964,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1,CERUKUMMKLJNMB-UHFFFAOYSA-N
-rxn:4:212568:223996,CN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c(C(F)(F)F)c2)CC1,NTWPCSITDILLNW-UHFFFAOYSA-N
-rxn:4:212568:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,MSQXVQHLYFFXFZ-UHFFFAOYSA-N
-rxn:4:212568:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)C1,WKJSZKVLXYFGDQ-UHFFFAOYSA-N
-rxn:4:212568:224285,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1,CMTZSZSHOJQWLA-UHFFFAOYSA-N
-rxn:4:212568:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,UIZZRZFKLMUAHM-UHFFFAOYSA-N
-rxn:4:212568:224365,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1F,QOKFIWPGVTVJHC-UHFFFAOYSA-N
-rxn:4:212568:224410,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1,LEIJWNIRLGRMEE-UHFFFAOYSA-N
-rxn:4:212568:224426,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1,ZRACKCNRYCEPBH-UHFFFAOYSA-N
-rxn:4:212568:224566,COC(=O)C1(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CCCC1,ZDPUSLBTVSMQSC-UHFFFAOYSA-N
-rxn:4:212568:224784,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC(F)(F)F)cc3cccnc23)cc1,LJTUEENJKXGFBT-UHFFFAOYSA-N
-rxn:4:212568:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,ZXUGBLRTRTUKEY-UHFFFAOYSA-N
-rxn:4:212568:225116,CCCCOc1c(F)c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,HWUQFYGKUJOOFN-UHFFFAOYSA-N
-rxn:4:212568:225117,CC(C)CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1F,XHCYDVJOMMTSAG-UHFFFAOYSA-N
-rxn:4:212568:225204,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)cc1C1CC1,XYCZRYNCQYAOCN-UHFFFAOYSA-N
-rxn:4:212568:225206,Cc1cc(C2CC2)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,ZGUGWYFVCZQAKD-UHFFFAOYSA-N
-rxn:4:212568:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ORLNIBXGLFHRMP-UHFFFAOYSA-N
-rxn:4:212568:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CXIHNZPABDJIAK-UHFFFAOYSA-N
-rxn:4:212568:225354,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)c1F,NUWIDXKYXFMJOU-UHFFFAOYSA-N
-rxn:4:212568:225385,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1,QRZMLFXAAJAPDX-UHFFFAOYSA-N
-rxn:4:212568:225574,COC(=O)c1cc(C2CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BRRPXVGXCABFAW-UHFFFAOYSA-N
-rxn:4:212568:225641,CC1CCCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccn2)C1,OZBDTKZMVZUYSZ-UHFFFAOYSA-N
-rxn:4:212568:225884,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3COCCO3)c(F)c2)cc1,MNKLNPLMEQPBMY-UHFFFAOYSA-N
-rxn:4:212568:225909,CCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,JEAWWQLGFFYOER-UHFFFAOYSA-N
-rxn:4:212568:226019,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2OCC(F)(F)F)cc1,MJBOXNFWLFWWRG-UHFFFAOYSA-N
-rxn:4:212568:226053,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)cc1,YDEQRLKBJOLUSM-UHFFFAOYSA-N
-rxn:4:212568:226060,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CC3)cc(C3CC3)c2)cc1,TYMLKNPQKCSDQU-UHFFFAOYSA-N
-rxn:4:212568:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MBADQWSJYVTFRZ-UHFFFAOYSA-N
-rxn:4:212568:226176,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1,BKJKEMUYYUGENP-UHFFFAOYSA-N
-rxn:4:212568:226260,COCC(C)Oc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DTGAGLZZMZTPEB-UHFFFAOYSA-N
-rxn:4:212568:226286,CC(C)COc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,VSQJYQIUVYZGHS-UHFFFAOYSA-N
-rxn:4:212568:226328,CC(C)(C#N)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,FBHMADJBBYPFOX-UHFFFAOYSA-N
-rxn:4:212568:226474,CN(C)CCOc1cncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QJQWTDAFGXGCDH-UHFFFAOYSA-N
-rxn:4:212568:226476,CCCCOc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,KULYVQNZMHZAPN-UHFFFAOYSA-N
-rxn:4:212568:226543,CCCOc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,NSCFCVIAYLTDCM-UHFFFAOYSA-N
-rxn:4:212568:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,SCVZCPSXYBELBC-UHFFFAOYSA-N
-rxn:4:212568:226649,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccnc2N2CCOCC2)cc1,FHKPLKQKPMTJJT-UHFFFAOYSA-N
-rxn:4:212568:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WCSXHLUTXOPXGF-UHFFFAOYSA-N
-rxn:4:212568:226712,COCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)n1,VPNRTVCNPCSLKQ-UHFFFAOYSA-N
-rxn:4:212568:226732,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)cc1,HKHJXVSBFMOHPJ-UHFFFAOYSA-N
-rxn:4:212568:226735,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C#N)cc(C(F)(F)F)c2)cc1,QWKOQQWYTJLFHW-UHFFFAOYSA-N
-rxn:4:212568:226741,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C#N)cc1,CQPBSBYXLOFTIJ-UHFFFAOYSA-N
-rxn:4:212568:226743,CCc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C(F)(F)F)n1,FCGUVCOGLPAWMF-UHFFFAOYSA-N
-rxn:4:212568:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ROOMHCMIGOFCKI-UHFFFAOYSA-N
-rxn:4:212568:226780,COc1c(F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1Cl,IDSWRCMOFDCULJ-UHFFFAOYSA-N
-rxn:4:212568:226782,COC(=O)c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,ZBWGBIQZLOOEFQ-UHFFFAOYSA-N
-rxn:4:212568:226897,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OCC(F)(F)F)nc2)cc1,AFQDHKXPRWKGMU-UHFFFAOYSA-N
-rxn:4:212568:227048,CC(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,UVXKVNIKCZPNMT-UHFFFAOYSA-N
-rxn:4:212568:227225,CC(C)CSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,BZCWCXRNDUMZCI-UHFFFAOYSA-N
-rxn:4:212568:227339,COC(=O)c1cc(C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,QSCGSOBTQMCUOV-UHFFFAOYSA-N
-rxn:4:212568:227364,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC)c1C,OMSVDCXFCWPWFJ-UHFFFAOYSA-N
-rxn:4:212568:227448,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3COC3)c(F)c2)cc1,UDQBIMDOSDADSZ-UHFFFAOYSA-N
-rxn:4:212568:227482,CCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)cn1,VQRXYZSJJNKTQO-UHFFFAOYSA-N
-rxn:4:212568:227512,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C)cn1,XUHKLCWEONNREC-UHFFFAOYSA-N
-rxn:4:212568:227527,CCOc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1Cl,UFZFAQLWRSVWNJ-UHFFFAOYSA-N
-rxn:4:212568:227551,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1Cl,MDPZTHZYLCEWKK-UHFFFAOYSA-N
-rxn:4:212568:227581,CCOc1c(F)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,IDOWQEMRPCZXPK-UHFFFAOYSA-N
-rxn:4:212568:227761,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2C(F)(F)F)cc1,HDZDQKSNVRJMGR-UHFFFAOYSA-N
-rxn:4:212568:227797,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1,XEJHXOFEPBAVSL-UHFFFAOYSA-N
-rxn:4:212593:223773,COc1cccc2cc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)n(C(=O)OC(C)(C)C)c12,VRJOOBDORWQPEP-UHFFFAOYSA-N
-rxn:4:212622:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)cc2)C1,RADYVDILAWCVOJ-UHFFFAOYSA-N
-rxn:4:212623:224258,CC1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)c(Cl)c1,SLPGLBXQLIPEOQ-UHFFFAOYSA-N
-rxn:4:212649:222651,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cn2)C1,FLUVWASIRKEILQ-UHFFFAOYSA-N
-rxn:4:212649:227252,CCCOc1cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)ccc1Cl,HYFBOUMTEWPWPP-UHFFFAOYSA-N
-rxn:4:212650:224127,CCN1CCN(C(C)c2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)cc2)CC1,YODSWWUNDYOCQE-UHFFFAOYSA-N
-rxn:4:212692:223284,CC1CN(C(=O)Cc2cncc(-c3ccc(NS(C)(=O)=O)cc3)c2)CCN1C(=O)OC(C)(C)C,HDVLULFSHDWNHV-UHFFFAOYSA-N
-rxn:4:212721:228221,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)nc(C4CC4)c3)n2)CC1,SHLWDNVEQFMCHV-UHFFFAOYSA-N
-rxn:4:212723:222538,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cc4)CC3)n2)cc1,XMAAZLPYDOTMGM-UHFFFAOYSA-N
-rxn:4:212770:223075,CCOC(=O)c1nn2c(c1-c1ccc(NS(=O)(=O)C3CC3)cc1)CN(C(=O)OC(C)(C)C)CC2,XDQLOTPDKPWRII-UHFFFAOYSA-N
-rxn:4:212775:224249,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)ccc21,JYBMSZUVNINYOR-UHFFFAOYSA-N
-rxn:4:212799:223031,CCNC(=O)c1ccc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)c(OC)c1,QSMQNSDUVOJJPR-UHFFFAOYSA-N
-rxn:4:212814:223285,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccccc2NS(C)(=O)=O)C1(C)C,PYPNQIMYHNHKMX-UHFFFAOYSA-N
-rxn:4:212814:225396,Cc1ccccc1-c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,SHRKPHZYSRXHJI-UHFFFAOYSA-N
-rxn:4:212814:225398,Cc1ccc(-c2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cc2)cc1,ONUNXSJJTCMNCH-UHFFFAOYSA-N
-rxn:4:212822:226829,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C(F)(F)F)cc(C)c5Cl)cc43)CC2)cc1,LNYLZZZYZZOCSN-UHFFFAOYSA-N
-rxn:4:212839:222541,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(=O)NCCN5CCCCC5)cc4)ccn23)CC1,STKVHGDAFSFHKR-UHFFFAOYSA-N
-rxn:4:212839:222650,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(=O)Nc5cc(C)ccn5)cc4)ccn23)CC1,TZONTTDKRSFKHQ-UHFFFAOYSA-N
-rxn:4:212839:228902,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)cnc4Cl)ccn23)CC1,BWATXTLWKDNJOL-UHFFFAOYSA-N
-rxn:4:212888:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(CN(C)C(=O)OC(C)(C)C)nc1,LROSNDBMRLEIKJ-UHFFFAOYSA-N
-rxn:4:212896:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccccc2-c2nnc(SCC(=O)N3CCCC3=O)o2)c1,MRXINSJICIPWPO-UHFFFAOYSA-N
-rxn:4:212923:225294,CCN1CCN(c2ncc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,HBIRLWVJJPIIMU-UHFFFAOYSA-N
-rxn:4:212943:225167,CCOC(=O)N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCCC4)c3)cc2C(F)(F)F)CC1,YKFBXSDMXPDNCA-UHFFFAOYSA-N
-rxn:4:212944:223874,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(C(=O)OCc3ccccc3)c(C)c2)CC1,QNCOWNMIFWXKHC-UHFFFAOYSA-N
-rxn:4:212988:222721,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)n2)CC1,LRGBCQVYNTZIHA-UHFFFAOYSA-N
-rxn:4:212988:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,PZGOFWQAFNUNFX-UHFFFAOYSA-N
-rxn:4:212995:222630,Cc1nccn1CC1CN(C(=O)Cc2ccc(F)cc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)C1,XCNFRVOHVFMZAH-UHFFFAOYSA-N
-rxn:4:213028:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4ncccc4C#N)CC3)c2)cc1,QIYLMTUTIWFLQB-UHFFFAOYSA-N
-rxn:4:213043:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,QMKXNTPEEIAXSX-UHFFFAOYSA-N
-rxn:4:213052:224065,CC1CCN(c2cc(-c3cnc(OCC4CCN(C(=O)C5CC(F)(F)C5)CC4)nc3)cc(C3CC3)c2)CC1,QICVBWUJHHJZMG-UHFFFAOYSA-N
-rxn:4:213100:227228,CC(C)COc1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)cn1,ASGFKXUNGPJIKD-UHFFFAOYSA-N
-rxn:4:213130:226892,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(F)cc(C(F)(F)F)c3Cl)c2)CC1,LFLQMYQBEKIKKK-UHFFFAOYSA-N
-rxn:4:213131:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,KLPHOWGXWLUUMT-UHFFFAOYSA-N
-rxn:4:213178:224494,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(CCOC5CCCCO5)cc4)cn3)C2)c(C)o1,YKKXXGOLYUQHIR-UHFFFAOYSA-N
-rxn:4:213192:228676,CCCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,FEOJIQFQOUGYNR-UHFFFAOYSA-N
-rxn:4:213200:223936,COc1ccc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)c(C(=O)N2CCC(Oc3cc(C)nc(C)n3)C2)c1,AYLHDEOHXWVSSB-UHFFFAOYSA-N
-rxn:4:213213:223524,COc1ccc2c(c1)c(-c1cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n1)cn2S(=O)(=O)c1ccc(C)cc1,SHYFRLQXWONEMW-UHFFFAOYSA-N
-rxn:4:213213:223556,CN(c1cccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,JFYUHPZEERNISD-UHFFFAOYSA-N
-rxn:4:213213:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2C)CC1,BFIVKBBLXHLPQV-UHFFFAOYSA-N
-rxn:4:213248:225826,COc1ccc(-c2cncc(N3CCN(C)CC3)c2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,TZMAJINIRVLHPP-UHFFFAOYSA-N
-rxn:4:213250:224767,CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N5CCOCC5)c4F)cn3)C2)cc1,FVABGAJOKVZAML-UHFFFAOYSA-N
-rxn:4:213262:224683,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)CC2)cc1,FMSBVMSIWDGZPE-UHFFFAOYSA-N
-rxn:4:213268:225975,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,DHXYFZLRZMKEDB-MBSDFSHPSA-N
-rxn:4:213383:224317,CCOc1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(C(=O)N6CCN(C)CC6)cc5F)cc4s3)CC2)cc1,WKNPVCZNIYEVHQ-UHFFFAOYSA-N
-rxn:4:213413:223295,CC1CN(C(=O)c2cc3cc(-c4cncc(NS(C)(=O)=O)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,SKYSVAAWVMLKRJ-UHFFFAOYSA-N
-rxn:4:213449:224458,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(C(C)N5CCC(C)CC5)cc4)cc3c2-c2ccccc2)=NN1C(C)=O,FBSHNIQSMATJHC-UHFFFAOYSA-N
-rxn:4:213475:222914,COc1cc(-c2cccc(C(=O)Nc3nccs3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,SOKSOTWEVLPMLF-FGYQXLMDSA-N
-rxn:4:213629:222702,CC(C)(C)OC(=O)N1CC(n2nccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)C1,KHZOILYYXXZTEE-UHFFFAOYSA-N
-rxn:4:213679:223835,Cc1cc(F)c(-c2cnn(CC3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,HPWQUPRPMAUROO-UHFFFAOYSA-N
-rxn:4:213722:223712,COc1ccc(-c2cnc(OC3CCN(CC4CC4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,XGHYRVMPINGBPQ-UHFFFAOYSA-N
-rxn:4:213725:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CN4CC(c5nc(C6CC6)no5)C4)cc3)c2)CC1,DTTYCEHQUDYBFC-UHFFFAOYSA-N
-rxn:4:213760:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnn(CC2CN(C(=O)C3CCOCC3)C2)c1,SWLOKLZNYZEYAM-UHFFFAOYSA-N
-rxn:4:213760:225357,CCOc1cc(-c2cnn(CC3CN(C(=O)C4CCOCC4)C3)c2)c(F)c(C(F)(F)F)c1,MQROCYIHZUXHCP-UHFFFAOYSA-N
-rxn:4:213794:224950,COc1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)c(CN2CCCC2)c1,LYQLHMCAFAPAQS-UHFFFAOYSA-N
-rxn:4:213803:224400,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cn1,UGJLPVVZKXZDEC-UHFFFAOYSA-N
-rxn:4:213817:223945,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCOCC4)c(F)c3)C2)s1,FGNFUVNRZFVAMV-UHFFFAOYSA-N
-rxn:4:213828:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc1,BFCYGQBHCUNCCG-UHFFFAOYSA-N
-rxn:4:213863:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,NKIQKAHCKXGWDX-UHFFFAOYSA-N
-rxn:4:213863:224063,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)cc(C3CC3)c2)C1,HQPGURCYALTJKM-UHFFFAOYSA-N
-rxn:4:213879:225976,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccnc(N3CCOCC3)c2F)CC1,BBXDGCHTBVMOAU-UHFFFAOYSA-N
-rxn:4:213892:225978,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCOCC3)nc2F)CC1,CJYOAQQCGYVQPJ-UHFFFAOYSA-N
-rxn:4:213930:224412,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)cn3)C2)cc1F,AZGRABWITUBGMQ-UHFFFAOYSA-N
-rxn:4:213931:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,LPBQHVCUXWREMP-UHFFFAOYSA-N
-rxn:4:213966:224704,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,SAVFTGRYLPYISH-UHFFFAOYSA-N
-rxn:4:213972:228693,CCN(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)s1,KHMHQMZHSJKCFK-UHFFFAOYSA-N
-rxn:4:213973:225553,CC(C)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,CTAHPGLJQBCGAT-UHFFFAOYSA-N
-rxn:4:213975:224075,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)nc2)CC1,OQONYSSMNVGYLH-UHFFFAOYSA-N
-rxn:4:213977:224159,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2cccc3c2ccn3C(=O)OC(C)(C)C)n1,RAWXXLILUKCKTK-UHFFFAOYSA-N
-rxn:4:213992:224683,O=C(c1cc(F)cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c1)N1CCCCC1,SNMKCFFHTPPTCK-UHFFFAOYSA-N
-rxn:4:213998:222467,CC1CN(c2cncc(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)c2)CCN1C(=O)OC(C)(C)C,IMVDRROCEGZZJD-UHFFFAOYSA-N
-rxn:4:214002:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4C)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,QEYJVXITIGJPCI-UHFFFAOYSA-N
-rxn:4:214008:225294,CCN1CCN(c2ncc(-c3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(C(C)C)s3)cn2)CC1,CFQJQNYCHQFURD-UHFFFAOYSA-N
-rxn:4:214015:227258,CCCOc1ccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c(F)c1,QZUORFOQKPFRPA-UHFFFAOYSA-N
-rxn:4:214024:224226,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3ccc(Cl)c(OCc4ccccc4)c3F)cn2)CC1,FLXSKRCLOPMNQT-UHFFFAOYSA-N
-rxn:4:214026:227310,CCC(C)c1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,RATWAJRLNJJDRA-UHFFFAOYSA-N
-rxn:4:214033:227301,CC(C)[C@H]1COC(c2cc(-c3ccc(F)cc3CN(C)C)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,GMXLYKWGKLNIPG-DNQXCXABSA-N
-rxn:4:214037:224891,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cc(N5CCCC5)ccc4C4CC4)cc3)C2)CC1,WCUIELXPEOIUHJ-UHFFFAOYSA-N
-rxn:4:214057:224773,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)cc2N2CCCC2)CC1,VLWSMGKVNMQNCF-UHFFFAOYSA-N
-rxn:4:214079:227710,CC(C)N1CCN(Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2N2CCCC2)CC1,FUALGRCLIFVRCQ-UHFFFAOYSA-N
-rxn:4:214230:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)c1,XROAPYUIDFHXLH-IBGZPJMESA-N
-rxn:4:214234:224668,CCN1CCN(c2cc(F)cc(-c3cnc4[nH]cc(C5=CCN(C(=O)OC(C)(C)C)CC5)c4c3)c2)CC1,HVDSALXXSJVSAG-UHFFFAOYSA-N
-rxn:4:214258:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(Cc5ccc6c(c5)CCO6)CC4)nc3)c2)CC1,KGSCARASHUNSJZ-UHFFFAOYSA-N
-rxn:4:214274:224969,Cc1cc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)OC(C)(C)C,VYTRKOIBTZQDAY-UHFFFAOYSA-N
-rxn:4:214349:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c(F)ncc21,PYPTUXKDFHQPGL-UHFFFAOYSA-N
-rxn:4:214390:223112,CCOc1ccc(C2=NN3C(C2)c2cc(-c4c(C(C)C)ccc5[nH]ncc45)ccc2OC32CCN(C(C)=O)CC2)cc1,RLAMMJIXOPVTME-UHFFFAOYSA-N
-rxn:4:214391:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SFHKVZJIGTWJDD-UHFFFAOYSA-N
-rxn:4:214618:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCN(C(C)=O)C2)cn1,CVWGALKYOOFPQT-UHFFFAOYSA-N
-rxn:4:214627:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,VXFDLHYGRXIKOS-UHFFFAOYSA-N
-rxn:4:214627:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,YDCPGJCGOGQESC-UHFFFAOYSA-N
-rxn:4:214627:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,LPQXNPIYRGRTBI-UHFFFAOYSA-N
-rxn:4:214627:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,QDIIETNHJPVXFC-UHFFFAOYSA-N
-rxn:4:214627:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc(S(=O)(=O)N2CCCC2)c1,SGAOYLYLTRPLEP-UHFFFAOYSA-N
-rxn:4:214627:224771,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCCC1,MCWSSBSYROSZRK-UHFFFAOYSA-N
-rxn:4:214627:224773,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCC1,RSHNPMQIERXHBX-UHFFFAOYSA-N
-rxn:4:214708:224566,COC(=O)C1(c2ccc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc2)CCCC1,AGJSFOXNQUQEPE-UHFFFAOYSA-N
-rxn:4:214711:224810,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,CAMCEZHVPJAEBY-UHFFFAOYSA-N
-rxn:4:214712:222540,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cn1,QJVCDALCNXLVJW-UHFFFAOYSA-N
-rxn:4:214713:224592,N#CC1(c2ccc(F)c(-c3cnccc3N3CCN(C(=O)C4CC4)CC3)c2)CCCCC1,NMLLVDGQAWPRGM-UHFFFAOYSA-N
-rxn:4:214730:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,GWTVVMQJCCNXLF-UHFFFAOYSA-N
-rxn:4:214753:224672,CCN1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(Cl)c2)CC1,FSTKZKWLCFASNZ-UHFFFAOYSA-N
-rxn:4:214768:222845,CC(c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2[N+](=O)[O-])cc1)N1CCNCC1,IIVVYQLSKSYNJZ-UHFFFAOYSA-N
-rxn:4:214771:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc([N+](=O)[O-])ccc1N1CCC(N(C)C)CC1,BXSYUWVMCKSUPW-UHFFFAOYSA-N
-rxn:4:214818:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1,GRKASVVDMWTLBM-UHFFFAOYSA-N
-rxn:4:214819:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,LIAQOLDFKQCWRX-UHFFFAOYSA-N
-rxn:4:214820:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,VRCSCXUBTIGMQY-UHFFFAOYSA-N
-rxn:4:214829:226259,CCCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,XKUFSPGNBJMMHA-UHFFFAOYSA-N
-rxn:4:214836:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cn2)CC1,UFDUMPYWACLLBE-UHFFFAOYSA-N
-rxn:4:214836:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2)CC1,UGLJNHNPJHCSMR-UHFFFAOYSA-N
-rxn:4:214836:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,HBZHHWQLFQTCRF-UHFFFAOYSA-N
-rxn:4:214837:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,MPEMEUBFRCLWCH-UHFFFAOYSA-N
-rxn:4:214837:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,RBPIYQQNLZJWSW-UHFFFAOYSA-N
-rxn:4:214838:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,UGYNWZQIBIDZBH-UHFFFAOYSA-N
-rxn:4:214839:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,ZOHTUHZNOWSFMS-UHFFFAOYSA-N
-rxn:4:214867:224400,Cc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,BYANIPQKJBZGKT-UHFFFAOYSA-N
-rxn:4:214868:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,LDRDKYSNFKTAJT-BIBMFLLGSA-N
-rxn:4:214871:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)ccc(F)c2s1,GHEMJDJCSZUVLU-UHFFFAOYSA-N
-rxn:4:214880:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1,SZIQWOBKPZRSHJ-UHFFFAOYSA-N
-rxn:4:214886:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WZAVNBDWWSIQTD-UHFFFAOYSA-N
-rxn:4:214899:224244,CC1CCN(C(=O)c2cc(-c3ccc(N4C(=O)CC(N5CCN(c6ccc(F)cc6)CC5)C4=O)cc3)ccc2Cl)CC1,LZGFNPUVDIQQGM-UHFFFAOYSA-N
-rxn:4:215056:224672,CCN1CCN(c2ccc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c(Cl)c2)CC1,CYLSIGVEGSNEER-UHFFFAOYSA-N
-rxn:4:215061:224301,CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)c2C1,ZVKPAXQDSSBPHM-UHFFFAOYSA-N
-rxn:4:215099:225110,C[C@@H]1Cn2ncc(-c3ccc(OC(=O)OC(C)(C)C)cc3)c2CN1C(=O)OC(C)(C)C,RBEUFEWGJZCOCQ-OAHLLOKOSA-N
-rxn:4:215129:223888,CN(C)C(=O)c1cc2n(n1)CC(c1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc1)OC2,WZGGXTQSEASFLR-UHFFFAOYSA-N
-rxn:4:215221:223568,CC(C)n1c(C2CC(=O)N(c3ccccc3-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)C2)nc2ccccc21,KHJYYRQSCVMGGI-UHFFFAOYSA-N
-rxn:4:215232:222851,CCc1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)cc(C2CCNCC2)n1,RVAIKFSVYLYHHF-UHFFFAOYSA-N
-rxn:4:215238:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5cc(C)c6cccc(C)c6n5)CC4)cc3)cn2)CC1,VYPAHRCOYYJNCJ-UHFFFAOYSA-N
-rxn:4:215240:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)c1,RJGWRSSBFWHAHH-UHFFFAOYSA-N
-rxn:4:215780:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,VNQZPFPGRJIHBF-UHFFFAOYSA-N
-rxn:4:215780:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,HRRZEBBDZOLDPJ-UHFFFAOYSA-N
-rxn:4:215800:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,KICAAYQFJIPPMP-UHFFFAOYSA-N
-rxn:4:215802:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,UASROFUSZWQSAA-UHFFFAOYSA-N
-rxn:4:215819:222465,c1c(-c2cc(N3CCCC3)nc(C3CC3)n2)cc(C2CCCNC2)nc1C1CCCCC1,LYVNKOXQSCAHMV-UHFFFAOYSA-N
-rxn:4:215877:222466,CCN1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,SVIJKGJYHCLDNX-UHFFFAOYSA-N
-rxn:4:215878:223835,Cc1cc(F)c(-c2cncc(CN3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,JREGVZGLHOKISE-UHFFFAOYSA-N
-rxn:4:215879:223835,Cc1cc(F)c(-c2ccc(N3CCC(N(C)C)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,ZFYUZRSAVRJJEB-UHFFFAOYSA-N
-rxn:4:215898:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,UOIPXLXHDDTBFL-UHFFFAOYSA-N
-rxn:4:215904:222720,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,GMVCRQYECCMLKG-UHFFFAOYSA-N
-rxn:4:215908:222624,CC(C)Cc1cc(-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)cc(C2CCNCC2)n1,JCKPVHBHCIINAS-UHFFFAOYSA-N
-rxn:4:215913:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,QOSGJOSYVHEJBH-UHFFFAOYSA-N
-rxn:4:215913:224325,CN1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C(F)(F)F)CC1,XVEQMOAPRKNONY-UHFFFAOYSA-N
-rxn:4:215913:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,OWAIJHUEHGLFHS-UHFFFAOYSA-N
-rxn:4:215913:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,XHTBECFBPIFRGV-UHFFFAOYSA-N
-rxn:4:215913:224770,Cc1cc(-c2cnc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,YLIKJQHGZQQUIC-UHFFFAOYSA-N
-rxn:4:215914:223838,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,AJJUZCFOCSAFNB-UHFFFAOYSA-N
-rxn:4:215914:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc(S(=O)(=O)N2CCCC2)c1,TZRQWQRBTHVSGH-UHFFFAOYSA-N
-rxn:4:215915:223838,CN1CCN(c2cc(C(F)(F)F)c(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,GYMBCOYCKVLTRR-UHFFFAOYSA-N
-rxn:4:215915:224770,Cc1cc(-c2cnc(N3CCN(C)CC3)cc2C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,AQADNDSTVLFNCN-UHFFFAOYSA-N
-rxn:4:215941:223755,CC1CCN(CCCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,JBYUUAFNOHVVHA-UHFFFAOYSA-N
-rxn:4:215943:223785,CCN1CCN(CCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,CUCHBPDYEJOPLW-UHFFFAOYSA-N
-rxn:4:215969:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(Cl)cnc2N2CCN(C3CCC3)CC2)CC1,JLCSZGYJOZAHKX-UHFFFAOYSA-N
-rxn:4:215983:222538,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,QWEXGHALHVUSRT-UHFFFAOYSA-N
-rxn:4:215990:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XMOVZHCOLGIILV-UHFFFAOYSA-N
-rxn:4:216208:223504,COc1nccc2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)nn(C3CCCCO3)c12,VXRHCLHIYCGHJC-UHFFFAOYSA-N
-rxn:4:216216:224325,CC(=O)N1C2CCC1CC(n1cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn1)C2,FSHYFTCEOIKUMU-UHFFFAOYSA-N
-rxn:4:216244:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3C(=O)CC(n4cnc5ccccc54)C3=O)cc2)CC1,FNYZXAWPWILMOX-UHFFFAOYSA-N
-rxn:4:216356:222587,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)ccc2OC32CCN(C)CC2)cc1,UGNIUYNKCQABGE-UHFFFAOYSA-N
-rxn:4:216356:222591,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)NCc5ccccc5)c4)ccc2OC32CCN(C)CC2)cc1,JXSHLCBFBUFURW-UHFFFAOYSA-N
-rxn:4:216356:222807,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(=O)NC5CC5)cc([N+](=O)[O-])c4)ccc2OC32CCN(C)CC2)cc1,GPILELAHWGKWIY-UHFFFAOYSA-N
-rxn:4:216356:222913,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)ccc2OC32CCN(C)CC2)cc1,HMOQBDBQYYFUJY-UHFFFAOYSA-N
-rxn:4:216356:223110,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CNC(C)(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,ASMKBHQDOWRWJQ-UHFFFAOYSA-N
-rxn:4:216356:223786,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)ccc2OC32CCN(C)CC2)cc1,PPTKZGQIZKXOPI-UHFFFAOYSA-N
-rxn:4:216356:223894,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OCCCN5CCN(C)CC5)c4)ccc2OC32CCN(C)CC2)cc1,MKKARUZCOUEMHO-UHFFFAOYSA-N
-rxn:4:216356:223952,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)ccc2OC32CCN(C)CC2)cc1,QTTXPQQPZQATDE-UHFFFAOYSA-N
-rxn:4:216356:224060,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,JTTGPKOLMOXALV-UHFFFAOYSA-N
-rxn:4:216356:224619,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCCC5)c(F)c4)ccc2OC32CCN(C)CC2)cc1,VYESVOHUGILLME-UHFFFAOYSA-N
-rxn:4:216356:224847,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)ccc2OC32CCN(C)CC2)cc1,SWGYAOKOVOYWAN-UHFFFAOYSA-N
-rxn:4:216356:225453,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(SC5CCCCC5)c4)ccc2OC32CCN(C)CC2)cc1,XDUJLQUIHIQMEV-UHFFFAOYSA-N
-rxn:4:216356:225774,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(C(=O)OC(C)C)c4)ccc2OC32CCN(C)CC2)cc1,MYYANDLCVWAHBV-UHFFFAOYSA-N
-rxn:4:216356:225926,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)ccc2OC32CCN(C)CC2)cc1,ZTIHQVCMYWWEFS-UHFFFAOYSA-N
-rxn:4:216356:226720,COC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)c(OC)cn1,HZEPILDYWKYKLP-UHFFFAOYSA-N
-rxn:4:216356:226982,CCCCOc1ccccc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,PQUGWXSZRRWRGJ-UHFFFAOYSA-N
-rxn:4:216356:226983,CCCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,AZCOLQDNJGQQPB-UHFFFAOYSA-N
-rxn:4:216356:226998,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCC(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,ZVWCYGFHHRMAIV-UHFFFAOYSA-N
-rxn:4:216356:227039,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(C)(C)C)cc4)ccc2OC32CCN(C)CC2)cc1,ZVLZTSVTCKNFQZ-UHFFFAOYSA-N
-rxn:4:216356:227073,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)cc(C5CC5)c4)ccc2OC32CCN(C)CC2)cc1,SEIWROIMTKKTKN-UHFFFAOYSA-N
-rxn:4:216356:227209,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(c4)OC(C)(C)O5)ccc2OC32CCN(C)CC2)cc1,QATIUEXZBTYMNN-UHFFFAOYSA-N
-rxn:4:216356:227342,COC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1C,ZDHSOGQHJPMWGS-UHFFFAOYSA-N
-rxn:4:217074:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCOCC4)n3)cc2[N+](=O)[O-])CC1,NDBIXNMTYYHPKO-UHFFFAOYSA-N
-rxn:4:217194:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCCCC2)nc1C,FMLLEULEVOOUMF-UHFFFAOYSA-N
-rxn:4:217199:223844,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2F)CC1,GIPQNRKBKCWIRD-UHFFFAOYSA-N
-rxn:4:217889:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2F)CC1,VDKIFVADSDMCFY-UHFFFAOYSA-N
-rxn:4:217905:222935,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)ccc2OC32CCN(C)CC2)o1,YJEBMPUUMIPMEI-UHFFFAOYSA-N
-rxn:4:217907:226472,CN(C)CCOc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)ccn1,QHNJCPCCBXVAMQ-UHFFFAOYSA-N
-rxn:4:218586:224182,Cc1cc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4F)C3)nc2)ccc1OCCN1CCOCC1,OBRMXRHLHHPTFZ-UHFFFAOYSA-N
-rxn:4:218621:222491,O=C(Nc1ccc(F)c(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)c1)OCc1ccccc1,YWOVQYSCPCAOFQ-UHFFFAOYSA-N
-rxn:4:218681:225319,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(F)c(F)c(N5CCOCC5)c4)cn3)CC2)CC1,YWVHVKXDGJRQNX-UHFFFAOYSA-N
-rxn:4:218681:225389,CCC(C)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cc(C2CC2)c1,FKPBUKCSGWAJDW-UHFFFAOYSA-N
-rxn:4:218681:227114,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(C5CC5)cc(C)c4Cl)cn3)CC2)CC1,NQGSSBHEZADIFR-UHFFFAOYSA-N
-rxn:4:218706:224377,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)c3C)CC2)cc1C,ITQRNAIUCIKAIR-UHFFFAOYSA-N
-rxn:4:218710:222526,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cc(OCc6ccccc6)ccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NSYXCOUGJLYTIH-UHFFFAOYSA-N
-rxn:4:218710:222557,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5cccc(OC)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CJOCOIIDWVWQIO-UHFFFAOYSA-N
-rxn:4:218710:222640,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5cccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XMRPGLLIKBEGFJ-UHFFFAOYSA-N
-rxn:4:218710:222688,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5ccccn5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JLWCXYMGNBLKFP-UHFFFAOYSA-N
-rxn:4:218710:222754,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ccc4C(=O)NC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XXGABYOTVLLYFU-UHFFFAOYSA-N
-rxn:4:218710:222816,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)NC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MAANWHSHLACGMV-UHFFFAOYSA-N
-rxn:4:218710:222836,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NC(=O)CC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PTOGQDGBRWPEIS-UHFFFAOYSA-N
-rxn:4:218710:222917,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)Nc5nccs5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QECFVAJUYAGRMM-UHFFFAOYSA-N
-rxn:4:218710:222965,CCCC(=O)NCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,UMVSQMCLSHPVAZ-UHFFFAOYSA-N
-rxn:4:218710:223025,CCCNC(=O)c1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1Cl,IIMYWYGZRJAWDH-UHFFFAOYSA-N
-rxn:4:218710:223112,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C(C)C)ccc5[nH]ncc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NFRGRBCIZPGQQZ-UHFFFAOYSA-N
-rxn:4:218710:223130,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CC(O)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GLGQMQXYXLPWFF-UHFFFAOYSA-N
-rxn:4:218710:223142,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HLQRBVLWQFDRHB-UHFFFAOYSA-N
-rxn:4:218710:223166,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCNCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TZTMZYAGTNSKDV-UHFFFAOYSA-N
-rxn:4:218710:223169,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCNCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OGGXQPIGHYDMBF-UHFFFAOYSA-N
-rxn:4:218710:223171,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c[nH]nc4-c4ccc(F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CGMCGFUJKITMQT-UHFFFAOYSA-N
-rxn:4:218710:223187,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)NOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QZTASBKDMRVMDR-UHFFFAOYSA-N
-rxn:4:218710:223198,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CNC5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LFDMCCIBXFMOOL-UHFFFAOYSA-N
-rxn:4:218710:223253,CCCCNc1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cn1,DNWQTGWMRIAIBK-UHFFFAOYSA-N
-rxn:4:218710:223258,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NC(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MNVVKKHUUCTKPI-UHFFFAOYSA-N
-rxn:4:218710:223304,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5[nH]c(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LPPYWYUVHBEJMN-UHFFFAOYSA-N
-rxn:4:218710:223343,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)NC(=O)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NOPHVNDUHUFKAO-UHFFFAOYSA-N
-rxn:4:218710:223527,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OBHPPZKGNRDCLC-UHFFFAOYSA-N
-rxn:4:218710:223574,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SLHCSENHZZYBKN-UHFFFAOYSA-N
-rxn:4:218710:223595,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QTMQXYWFKOMMGN-UHFFFAOYSA-N
-rxn:4:218710:223658,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JPYHYGLXMXTAME-UHFFFAOYSA-N
-rxn:4:218710:223691,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5cccnc5)c(C(F)(F)F)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQZACUYTLHLUJO-UHFFFAOYSA-N
-rxn:4:218710:223801,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFNLYIKIJBGLHX-UHFFFAOYSA-N
-rxn:4:218710:223815,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LPXUALUMUYCCGL-UHFFFAOYSA-N
-rxn:4:218710:223857,CCCCn1c2ccccc2c2cc(-c3ccc(C4=NN(C(=O)CN5CCN(CC)C(=O)C5=O)C(c5ccc(C)cc5)C4)cc3)ccc21,RXKQHEOKJGXQRD-UHFFFAOYSA-N
-rxn:4:218710:223865,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)C)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WOBBPKWBKXVONG-UHFFFAOYSA-N
-rxn:4:218710:223914,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5cc(Cl)ccc5OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KMPKVWMCCAGAEH-UHFFFAOYSA-N
-rxn:4:218710:223955,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SCc5ccccc5[N+](=O)[O-])cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MENULMPTHZGSFM-UHFFFAOYSA-N
-rxn:4:218710:224001,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccc(C(F)(F)F)cc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CWUFMCRHASBAQH-UHFFFAOYSA-N
-rxn:4:218710:224005,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(-c5ccccc5C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AQMQLFUMOWMZJV-UHFFFAOYSA-N
-rxn:4:218710:224062,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5cc(C)ccc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PXHMGPULVYPFOD-UHFFFAOYSA-N
-rxn:4:218710:224079,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cn6cc(C)ccc6n5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SWHQHQNXBCMGKC-UHFFFAOYSA-N
-rxn:4:218710:224081,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CCO[Si](C)(C)C(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YPQPPRLKRGHYBH-UHFFFAOYSA-N
-rxn:4:218710:224084,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5cccc(C#N)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ADTBWSRTMDBKMP-UHFFFAOYSA-N
-rxn:4:218710:224085,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5ccccc5C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SJMKGWQVDKFLBB-UHFFFAOYSA-N
-rxn:4:218710:224097,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5ccccc5)ccc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SDSNCMRDLBKSEV-UHFFFAOYSA-N
-rxn:4:218710:224120,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VRLAZRGZVASSBE-UHFFFAOYSA-N
-rxn:4:218710:224123,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)cc(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KNRNHJVVNHFIQN-UHFFFAOYSA-N
-rxn:4:218710:224157,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFHLVEULAZZODB-UHFFFAOYSA-N
-rxn:4:218710:224167,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)C(=O)OC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QEMMULYCUBDDHV-UHFFFAOYSA-N
-rxn:4:218710:224229,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(OCc5ccccc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FQCJMSXQOKFZMN-UHFFFAOYSA-N
-rxn:4:218710:224376,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UZCZWLFHUHHLIV-UHFFFAOYSA-N
-rxn:4:218710:224402,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N(CC)CC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BHGAHCZUAHPWMV-UHFFFAOYSA-N
-rxn:4:218710:224523,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UVFAMKNCHKSBBY-UHFFFAOYSA-N
-rxn:4:218710:224537,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccccc5F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IJHPATPRCVUYHP-UHFFFAOYSA-N
-rxn:4:218710:224542,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCc5cccc(Cl)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QKHCLSIKDUYLSY-UHFFFAOYSA-N
-rxn:4:218710:224557,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4OCc4ccccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VQHUZDYRZZYEQH-UHFFFAOYSA-N
-rxn:4:218710:224603,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4cnn5C4CCCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NJQMLGYGWWJJDW-UHFFFAOYSA-N
-rxn:4:218710:224614,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,STGYAVUPGZIUDM-UHFFFAOYSA-N
-rxn:4:218710:224718,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NHGRSYUUSSHROF-UHFFFAOYSA-N
-rxn:4:218710:224750,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHGKNANNPJYHQN-UHFFFAOYSA-N
-rxn:4:218710:224859,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(=O)c4ccccc4-5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BXAFOIUIYSSYCU-UHFFFAOYSA-N
-rxn:4:218710:224876,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OGANAFUVZMLFJT-UHFFFAOYSA-N
-rxn:4:218710:224966,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC5CCOCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UOKIERUMCYGRAZ-UHFFFAOYSA-N
-rxn:4:218710:225008,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCC(OC)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UFULXVSEWIKNAG-UHFFFAOYSA-N
-rxn:4:218710:225074,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C(C)C)nn5c(OC)cccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FZQZHAWIPYLJGF-UHFFFAOYSA-N
-rxn:4:218710:225075,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cc(C(=O)OC)ncc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WQGKJFDGZJRTGT-UHFFFAOYSA-N
-rxn:4:218710:225106,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(CC)CC)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UKIROXIFHZFQQQ-UHFFFAOYSA-N
-rxn:4:218710:225127,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(F)c(OCC(C)C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IAMGDLMAULXIIG-UHFFFAOYSA-N
-rxn:4:218710:225141,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5ccc(C)n5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HSIJXMVWFOAZFP-UHFFFAOYSA-N
-rxn:4:218710:225146,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccc(OC)cc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQHFAKQOKGHBLO-UHFFFAOYSA-N
-rxn:4:218710:225164,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccccc5F)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YORGECRUMHFEPP-UHFFFAOYSA-N
-rxn:4:218710:225218,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCCC(C)C5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JKKRBUFQPCQNRH-UHFFFAOYSA-N
-rxn:4:218710:225229,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccc(C)c5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DYXXQKLUYBTRSX-UHFFFAOYSA-N
-rxn:4:218710:225467,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4-c4cccc(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VLWKIZISJLZGLT-UHFFFAOYSA-N
-rxn:4:218710:225475,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccnc4-c4ccc(C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SHXIERSLEMDBAP-UHFFFAOYSA-N
-rxn:4:218710:225514,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4OCC4(CC4)CO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QIHZIFFDFBODJN-UHFFFAOYSA-N
-rxn:4:218710:225532,CCN(CC)Cc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)c1,ZCIBJHIDNWVBNA-UHFFFAOYSA-N
-rxn:4:218710:225679,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TVYWSLLLORVYKJ-UHFFFAOYSA-N
-rxn:4:218710:225712,CCOC(=O)COc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,GMLQQBFZIRCIRE-UHFFFAOYSA-N
-rxn:4:218710:225784,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VXVZDDXCODDEHE-UHFFFAOYSA-N
-rxn:4:218710:225817,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)(F)F)c(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JEFRBOOLSBRTSL-UHFFFAOYSA-N
-rxn:4:218710:225975,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LJVRLQIVZQXPCY-UHFFFAOYSA-N
-rxn:4:218710:225979,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LPUXSMONVNEJCG-UHFFFAOYSA-N
-rxn:4:218710:225997,CCOc1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C(F)(F)F,TZZDDTRHQWIMRI-UHFFFAOYSA-N
-rxn:4:218710:226018,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC)c(OC(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FQNGYLSUWVZJSU-UHFFFAOYSA-N
-rxn:4:218710:226074,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c(C#N)cccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RQAYCCZRYLONBH-UHFFFAOYSA-N
-rxn:4:218710:226094,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PREILXMVZGGALV-UHFFFAOYSA-N
-rxn:4:218710:226111,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,APYVNDNYLSBTSX-UHFFFAOYSA-N
-rxn:4:218710:226120,CCCOc1cc(C)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)c1,XJUSBIDNAOQZPX-UHFFFAOYSA-N
-rxn:4:218710:226133,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(C#N)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XYGVLEMTTPQEHW-UHFFFAOYSA-N
-rxn:4:218710:226144,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NESWTPKDERQNNZ-UHFFFAOYSA-N
-rxn:4:218710:226195,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-c5cccc(C)c5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RDABGMUTRFFYTF-UHFFFAOYSA-N
-rxn:4:218710:226214,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5ccc(OC)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OLDPBPUIUNWMMC-UHFFFAOYSA-N
-rxn:4:218710:226215,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CC/C5=N\OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KGHLZDXEISROLG-ZONNCAFXSA-N
-rxn:4:218710:226276,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(CN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBKANNIPDGUGKD-UHFFFAOYSA-N
-rxn:4:218710:226298,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4OCC4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XVWXLPFVNVYEDO-UHFFFAOYSA-N
-rxn:4:218710:226306,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,GYHKCMTVANWBBW-UHFFFAOYSA-N
-rxn:4:218710:226361,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)cc4-n4cccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NVQDHMQZPVJOBN-UHFFFAOYSA-N
-rxn:4:218710:226442,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccco5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QDBCLMAFPNTAAV-UHFFFAOYSA-N
-rxn:4:218710:226478,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ccc4OCC#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SPDBWMLDXGPVDN-UHFFFAOYSA-N
-rxn:4:218710:226493,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCOC)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WNNICGHNKGIUAU-UHFFFAOYSA-N
-rxn:4:218710:226571,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CC5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DNPLUJDLZJZHPW-UHFFFAOYSA-N
-rxn:4:218710:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,OJIGNFFBZIBSSK-UHFFFAOYSA-N
-rxn:4:218710:226625,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-n5ccnc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XYLQWBMHVTYTFK-UHFFFAOYSA-N
-rxn:4:218710:226675,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AECRSBJNQVRBBG-UHFFFAOYSA-N
-rxn:4:218710:226702,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccco5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBFZLSGZDVJQRO-UHFFFAOYSA-N
-rxn:4:218710:226706,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)c(-c5ccsc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KBIXAKWUBJUVBN-UHFFFAOYSA-N
-rxn:4:218710:226847,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)cnc4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NHSBGHOCVBPBNA-UHFFFAOYSA-N
-rxn:4:218710:226917,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc(C(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VDAIHZHZXTVTRA-UHFFFAOYSA-N
-rxn:4:218710:226918,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5=CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PCYLNFWVIFBQST-UHFFFAOYSA-N
-rxn:4:218710:226968,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OC(C)(C)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AGRQPZXZOVIDRA-UHFFFAOYSA-N
-rxn:4:218710:226969,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCCC5=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FVCPKFZFXVXLEB-UHFFFAOYSA-N
-rxn:4:218710:227051,CCC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(C)c1,RJWMHPNXSIBGIT-UHFFFAOYSA-N
-rxn:4:218710:227055,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HBABEDJUICOWHB-UHFFFAOYSA-N
-rxn:4:218710:227057,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OC)c4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GGCJVIXRXMGCCJ-UHFFFAOYSA-N
-rxn:4:218710:227071,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(COC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IKOMCCZTCSNENY-UHFFFAOYSA-N
-rxn:4:218710:227110,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)c(C)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SHXYCNHKQDPQQW-UHFFFAOYSA-N
-rxn:4:218710:227197,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C(=O)N(C)C5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RGZHYTWFXJWJGM-UHFFFAOYSA-N
-rxn:4:218710:227237,CCOC(=O)c1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,DEYUMYVXCCGDIR-UHFFFAOYSA-N
-rxn:4:218710:227248,CCCOc1cc(Cl)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,JBKIKZJCAZHSII-UHFFFAOYSA-N
-rxn:4:218710:227252,CCCOc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1Cl,SSMJFHOJSLAYFQ-UHFFFAOYSA-N
-rxn:4:218710:227257,CCCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,VWQIWFMYTQFKOO-UHFFFAOYSA-N
-rxn:4:218710:227296,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZPYQKFDFTMYTMM-UHFFFAOYSA-N
-rxn:4:218710:227313,CCC(C)c1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)cn1,UTBJRJUAZHUIIA-UHFFFAOYSA-N
-rxn:4:218710:227332,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ccc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VHJVBWZDYJFSMQ-UHFFFAOYSA-N
-rxn:4:218710:227466,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCCOC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PUQWVHBOFLALML-UHFFFAOYSA-N
-rxn:4:218710:227488,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCSC)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DUARCXZWNFQFOW-UHFFFAOYSA-N
-rxn:4:218710:227490,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OC(C)(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WIZJTKLHNOKDCI-UHFFFAOYSA-N
-rxn:4:218710:227547,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(F)F)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OJQAVIQJPPZMAA-UHFFFAOYSA-N
-rxn:4:218710:227555,CCOc1c(Cl)ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1F,CDJJCGUQPPZRQA-UHFFFAOYSA-N
-rxn:4:218710:227628,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCC5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UIMPSMNIFQRBQT-UHFFFAOYSA-N
-rxn:4:218710:227679,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WCZPAYBPQCFHIQ-UHFFFAOYSA-N
-rxn:4:218710:227742,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(F)(F)F)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SZEQPKZZSXFQGB-UHFFFAOYSA-N
-rxn:4:218710:227872,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCC5=O)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YWCMMEZITDRSCY-UHFFFAOYSA-N
-rxn:4:218710:227918,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,COCCRFMCOKYTQB-UHFFFAOYSA-N
-rxn:4:218710:227922,CCc1cc(OC)ccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,ZQRZZAPRQAYSML-UHFFFAOYSA-N
-rxn:4:218710:227925,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,TYWIBASBPYNSAB-UHFFFAOYSA-N
-rxn:4:218710:228083,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CCC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JVIUPGFAEDTRFK-UHFFFAOYSA-N
-rxn:4:218710:228173,CCOc1cc(F)ccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,LXMGQSGQCWUKIO-UHFFFAOYSA-N
-rxn:4:218710:228179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(COC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KBTVJMWXOFOCQW-UHFFFAOYSA-N
-rxn:4:218710:228266,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C)c(Cl)c4SC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PNMBGWPYHRYWHV-UHFFFAOYSA-N
-rxn:4:218710:228295,CCOC(=O)n1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,IUPMHHNKFPAIAA-UHFFFAOYSA-N
-rxn:4:218710:228360,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C(C)C)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RTXIZMQCJBDUPI-UHFFFAOYSA-N
-rxn:4:218710:228397,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(F)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YPYOBXACVLVOFG-UHFFFAOYSA-N
-rxn:4:218710:228465,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)c(C(=O)OC)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WCFUFLCXKCDZBF-UHFFFAOYSA-N
-rxn:4:218710:228496,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(CC(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JOVZHGBRMBFJLV-UHFFFAOYSA-N
-rxn:4:218710:228503,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NWBQGDWUKDPYRP-UHFFFAOYSA-N
-rxn:4:218710:228551,CCCc1ncccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,FAXBBZVWSWRYHX-UHFFFAOYSA-N
-rxn:4:218710:228573,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RKWMLMISCRWTQA-UHFFFAOYSA-N
-rxn:4:218710:228613,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,MQZJULORNBLKOR-UHFFFAOYSA-N
-rxn:4:218710:228637,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(F)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,POKHLRMYWFDLFI-UHFFFAOYSA-N
-rxn:4:218710:228742,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)cc(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NRWQVJNUTKFJSI-UHFFFAOYSA-N
-rxn:4:218710:228766,CCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(F)n1,YSFOAZOGLOUYNM-UHFFFAOYSA-N
-rxn:4:218710:228779,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)ccc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MGDINPOBLMHQDU-UHFFFAOYSA-N
-rxn:4:218710:228885,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C#N)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SBUSSGMDBINQHW-UHFFFAOYSA-N
-rxn:4:218710:228917,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(F)c(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CIUGXPVTHCXUJJ-UHFFFAOYSA-N
-rxn:4:218710:228923,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(SC)ccnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XLWXZOIUUQIOIK-UHFFFAOYSA-N
-rxn:4:218710:228932,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)nc(OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JRFMVEHLGYDCGV-UHFFFAOYSA-N
-rxn:4:218710:229038,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ccc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GTOCTCCXWIJCCS-UHFFFAOYSA-N
-rxn:4:218710:229049,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5n4CCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CWPWYWJGZBUMFR-UHFFFAOYSA-N
-rxn:4:218710:229070,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQDZHKURGVJZEK-UHFFFAOYSA-N
-rxn:4:218710:229127,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(Cl)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQPYARDDZZPWGW-UHFFFAOYSA-N
-rxn:4:218710:229206,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cs1,LPWHAOSEIFODKT-UHFFFAOYSA-N
-rxn:4:218710:229224,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4CC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KJOZRKLVFZTJJS-UHFFFAOYSA-N
-rxn:4:218710:229310,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(C)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HEEMAYPBEUFTII-UHFFFAOYSA-N
-rxn:4:218769:224036,CC(C)(C)c1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cc2)cc1,SZKBTDSZGBCQOQ-UHFFFAOYSA-N
-rxn:4:218777:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3c(C)nn(C(C)CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c3C)cc2)CC1,XMZLSJNDCMXWTO-UHFFFAOYSA-N
-rxn:4:218867:226064,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCC4)cc3)c2)no1,ARDUMYNHFXBBQC-UHFFFAOYSA-N
-rxn:4:218867:226183,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnccc3C3CCCCC3)c2)no1,GJZQQHHJHUXBOY-UHFFFAOYSA-N
-rxn:4:218868:224153,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cc2)no1,BLDHGGHZJQNKDT-UHFFFAOYSA-N
-rxn:4:218868:224890,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)cc2)no1,HFUCUEPZTDFSOS-UHFFFAOYSA-N
-rxn:4:218868:227403,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2)no1,JUZYVEYUFAYQQU-UHFFFAOYSA-N
-rxn:4:218894:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)cn1,CUGJYEWSTLLLEN-UHFFFAOYSA-N
-rxn:4:218896:224682,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCCC4)c(Cl)c3)cn2)C1,WNCFAHHBKNOGCN-UHFFFAOYSA-N
-rxn:4:218917:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,NNRQHYSEDLYOGD-UHFFFAOYSA-N
-rxn:4:218919:224667,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(Cl)c(CN4CCN(C)CC4)c3)C2)cn1,FTXRAQREWSLDEM-UHFFFAOYSA-N
-rxn:4:218945:224733,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(OC(F)F)c(OC4CCC4)c3)cncc2[N+](=O)[O-])CC1,WYYZHOKCSPJSKO-UHFFFAOYSA-N
-rxn:4:219002:223598,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)c1=O,FMWBGCKLJDKUHV-UHFFFAOYSA-N
-rxn:4:219046:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1Cl,LBRZYFQMRIYEKL-UHFFFAOYSA-N
-rxn:4:219061:224179,CN1CCN(CCOc2ccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)cc2)CC1,AQKGKSMCAYLMGN-UHFFFAOYSA-N
-rxn:4:219071:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5cc(-c6ccc(C)cc6)[nH]n5)CC4)cc3)cc2C)CC1,VSGRXGLURPCLCN-UHFFFAOYSA-N
-rxn:4:219074:222511,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(C(=O)NC6CCCCC6)cc([N+](=O)[O-])c5)cc4)n[nH]3)CC2)c1,CYDKXUDDVOELQM-UHFFFAOYSA-N
-rxn:4:219120:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,DVWUIHAKUDMEMP-UHFFFAOYSA-N
-rxn:4:219144:226022,COc1cccc(OC(F)(F)F)c1-c1cnc(OC2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)nc1,CZAWZHCSTHOPOF-UHFFFAOYSA-N
-rxn:4:219174:222741,O=C(CCc1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,WMJHEUSSNAQNLX-UHFFFAOYSA-N
-rxn:4:219251:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4cncn4)C3)ccc2OC)CC1,UGUXXEGUARVNHN-UHFFFAOYSA-N
-rxn:4:219336:224746,CC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(C(=O)N5CCOCC5)C4)c3)cn2)CC1,KWRXUJPBMSQJKU-UHFFFAOYSA-N
-rxn:4:219340:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)CC1,URLQOKGBOCJQIY-UHFFFAOYSA-N
-rxn:4:219383:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cnc2C1,RZRDZTHYWHVLDA-UHFFFAOYSA-N
-rxn:4:219410:223176,CS(=O)(=O)NCc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,PGKQFPMRNKMGSP-UHFFFAOYSA-N
-rxn:4:219439:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1,FODNBMNFHKMSIQ-UHFFFAOYSA-N
-rxn:4:219469:224356,CSc1ncc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WJYPMANKHZYYLU-UHFFFAOYSA-N
-rxn:4:219473:222584,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,BPMFJKXSNJKJLT-UHFFFAOYSA-N
-rxn:4:219473:222921,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(S(=O)(=O)NC(C)C)cc1C,BAIKHBKUUPGBPH-UHFFFAOYSA-N
-rxn:4:219495:223640,CCOC12C(=O)c3cc(F)cc(-c4cnccc4OC4CCN(c5cc(C6CCC6)ncn5)C4)c3C(=O)C1C2(C)C,OFPJPARQDXERKX-UHFFFAOYSA-N
-rxn:4:219501:223438,CSc1ncc(-c2cn[nH]c2C(F)(F)F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,JQXJMOSRLHDFTA-UHFFFAOYSA-N
-rxn:4:219524:222824,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)c3)C2)n1,YKCKBSMJIAHRLV-UHFFFAOYSA-N
-rxn:4:219529:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)CC1,JSJTVTGCEZBWFQ-UHFFFAOYSA-N
-rxn:4:219535:224008,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)CC2)cn1,HBIKOOFWQUWBOM-UHFFFAOYSA-N
-rxn:4:219562:222845,CC(c1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)cc1)N1CCNCC1,KHCYHUGEDHFCSN-UHFFFAOYSA-N
-rxn:4:219565:226491,COCCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)c1,DCSRDHKQUHSFPR-UHFFFAOYSA-N
-rxn:4:219654:224373,COc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCCC1,WWFWUHJOHFMKNP-UHFFFAOYSA-N
-rxn:4:219689:223065,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(N5CCNCC5)cc4F)n3c2)CC1,TUMZVAVTQYHBLB-UHFFFAOYSA-N
-rxn:4:219698:223809,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cc2)c(=O)c3=O)cc1,NAQAEIMIGBXORZ-UHFFFAOYSA-N
-rxn:4:219706:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)CC1,ACXJAWPLSQNGEN-UHFFFAOYSA-N
-rxn:4:219719:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCC5)cccn4c3=O)c2)c1,FJOVLJIVKQJQLH-UHFFFAOYSA-N
-rxn:4:219760:224745,CC(C)(C)OC(=O)c1cc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCCC5)cccn4c3=O)c2)c(F)cc1Cl,ZBEBSXZAUJCZEF-UHFFFAOYSA-N
-rxn:4:219766:225292,CC(C)Oc1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1C(F)(F)F,GYAIQNJLDKNCON-UHFFFAOYSA-N
-rxn:4:219908:222694,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)nc2C#N)CC1,GBEGAAKWAPQOLP-UHFFFAOYSA-N
-rxn:4:219975:222808,CC(C)NC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc([N+](=O)[O-])c1,REBVCHWEEZBSEF-UHFFFAOYSA-N
-rxn:4:219991:222943,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)c3)CC2)C1=O,ADDQKTJQPIPJMV-UHFFFAOYSA-N
-rxn:4:220124:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3ccnn3)C4)c2)cc([N+](=O)[O-])c1,MNZYTCOSZFJKES-UHFFFAOYSA-N
-rxn:4:220135:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cncn1)C2,JTONPIYODPKAOT-UHFFFAOYSA-N
-rxn:4:220137:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,RPMCFLYFHPUKBF-UHFFFAOYSA-N
-rxn:4:220149:223816,C[Si](C)(C)CCOCn1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cc2c(Cl)ccnc21,PFRRGCCRDDSIEZ-UHFFFAOYSA-N
-rxn:4:220163:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12,REYGRVKXERGWAP-UHFFFAOYSA-N
-rxn:4:220204:222454,O=C(Nc1ccccc1-c1ccc2ncnc(N3CCOC(C(=O)N4CCOCC4)C3)c2c1)c1cccc(C(F)(F)F)c1,MMQXGVXRWYLLIM-UHFFFAOYSA-N
-rxn:4:220204:223071,CCS(=O)(=O)NCc1ccc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1,ULWGNBYKVWWTTP-UHFFFAOYSA-N
-rxn:4:220225:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)c1,FRKQCLHDMSQWSR-UHFFFAOYSA-N
-rxn:4:220398:224325,CN1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2[N+](=O)[O-])CC1,PODCVJGYSUBDLC-UHFFFAOYSA-N
-rxn:4:220413:223567,CC(C)Oc1ccc2c(c1)cc(-c1cnc(N3CCC(N(C)C)CC3)nc1)n2C(=O)OC(C)(C)C,YELMXXIWKXTUHH-UHFFFAOYSA-N
-rxn:4:220416:223697,Cc1nsc(N2CCN(c3cccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)c3)CC2)n1,ADYICHQFNIHEDC-UHFFFAOYSA-N
-rxn:4:220430:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,OIPULQSIFBCFRT-UHFFFAOYSA-N
-rxn:4:220536:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)c2s1,VBOPEAFYMIHFEC-UHFFFAOYSA-N
-rxn:4:220544:222439,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5C(F)(F)F)c(C)c4)C3C2=O)cc1F,HNQMJZMAFUMQJF-UHFFFAOYSA-N
-rxn:4:220818:222389,CN1CCCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,YNSYQFDOOYPCFX-UHFFFAOYSA-N
-rxn:4:221103:225723,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN(C)C)c(Cl)c4)cn3)C2)cn1,QTZPSIQYHMUMIC-UHFFFAOYSA-N
-rxn:4:221110:228727,COc1ncc(C)cc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,APSWZEUWIGEOAO-UHFFFAOYSA-N
-rxn:4:221110:228884,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(Cl)c(C#N)c4)cn3)CC2)CC1,JXFQYAFMQXQAIG-UHFFFAOYSA-N
-rxn:4:221121:223124,CC(C)NC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HPBDUJVMUXEDHG-UHFFFAOYSA-N
-rxn:4:221145:224746,CC(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N(C)C3CN(c4nccnc4C#N)C3)cn2)CC1,SYWBGIZHBFKZJE-UHFFFAOYSA-N
-rxn:4:221152:222546,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,DHHKNZMHUXCTEW-UHFFFAOYSA-N
-rxn:4:221152:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c2)CC1,IDTAQJQSOOAGKR-UHFFFAOYSA-N
-rxn:4:221169:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cn2)CC1,OKECADSXNYTDSA-UHFFFAOYSA-N
-rxn:4:221175:223247,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc5c(C)n[nH]c5cc4F)cn3)C2)C(=O)C1=O,OXJDXOVPFQRWKF-UHFFFAOYSA-N
-rxn:4:221175:226220,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc5nc(C)cc(Cl)c5c4)cn3)C2)C(=O)C1=O,MPXBEKIZFLWXJJ-UHFFFAOYSA-N
-rxn:4:221175:227121,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)(C)C)cc4Cl)cn3)C2)C(=O)C1=O,QAMQKGKPJIXBNT-UHFFFAOYSA-N
-rxn:4:221175:227893,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(CN(C)C)c4)cn3)C2)C(=O)C1=O,RFVLUSZVFBPNJS-UHFFFAOYSA-N
-rxn:4:221175:228234,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(C5CC5)ccnc4F)cn3)C2)C(=O)C1=O,DKGWKXSJNXDOJO-UHFFFAOYSA-N
-rxn:4:221175:228556,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(COC)cc4)cn3)C2)C(=O)C1=O,DPSWQNCYWDQSLD-UHFFFAOYSA-N
-rxn:4:221175:228902,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)cnc4Cl)cn3)C2)C(=O)C1=O,PSMPJWFXITVFLL-UHFFFAOYSA-N
-rxn:4:221175:228933,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)cc4F)cn3)C2)C(=O)C1=O,DCGUIJYZZONGBH-UHFFFAOYSA-N
-rxn:4:221175:228934,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)cc4Cl)cn3)C2)C(=O)C1=O,NKRFMBPBFHESIL-UHFFFAOYSA-N
-rxn:4:221175:229148,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnn(CCF)c4)cn3)C2)C(=O)C1=O,COZWJVSXPRGHPJ-UHFFFAOYSA-N
-rxn:4:221195:224367,CC(C)COc1cc(-c2ccc(C(=O)N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)cc2)ccc1OC(F)(F)F,LAKRASOTKCCFGL-UHFFFAOYSA-N
-rxn:4:221207:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SAAREVXLJKZOMI-UHFFFAOYSA-N
-rxn:4:221207:222615,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3)CC2)n1,FVABUWSAZBBZBE-UHFFFAOYSA-N
-rxn:4:221207:222704,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cc3)CC2)n1,NYPSUCZHLLUXGJ-UHFFFAOYSA-N
-rxn:4:221207:222876,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)cc3)CC2)n1,NFXOOFBTEILCLG-UHFFFAOYSA-N
-rxn:4:221207:222886,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)CC2)n1,XFDLRJRRODIDMG-UHFFFAOYSA-N
-rxn:4:221207:223092,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(NS(=O)(=O)N(C)C)c4)cc3)CC2)n1,BXYZREQXHBAJFS-UHFFFAOYSA-N
-rxn:4:221207:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,BPSFGARGJBFFHG-UHFFFAOYSA-N
-rxn:4:221207:223826,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(Oc5ccc(OC(F)(F)F)cc5)cc4)cc3)CC2)n1,UOBVEBXRPSADNH-UHFFFAOYSA-N
-rxn:4:221207:223888,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3)CC2)n1,KPGLDCVBKNPTNE-UHFFFAOYSA-N
-rxn:4:221207:223937,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc3)CC2)n1,JVDYVRCKAKXUSK-UHFFFAOYSA-N
-rxn:4:221207:224370,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)C)cc3)CC2)n1,BIEWDAWMLXMAGW-UHFFFAOYSA-N
-rxn:4:221207:224563,Cc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,RJOXSQOJEIOPKH-UHFFFAOYSA-N
-rxn:4:221207:224716,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)cc3)CC2)n1,ZKJPNZJVWACODV-UHFFFAOYSA-N
-rxn:4:221207:224884,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CN5CCC(C)CC5)c4)cc3)CC2)n1,CAKPFDSFYWPUKQ-UHFFFAOYSA-N
-rxn:4:221207:225330,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(=O)OC)n1,ZRSLEAOIPQTHDE-UHFFFAOYSA-N
-rxn:4:221207:225567,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)OC(C)C)c(C)c4)cc3)CC2)n1,RJUYWUINZWKVPF-UHFFFAOYSA-N
-rxn:4:221207:225740,CCCOc1c(Cl)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1OC,AYGNWFOYGUOFDD-UHFFFAOYSA-N
-rxn:4:221207:225804,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCC5)c(F)c4)cc3)CC2)n1,CEYSVPZURRFIRN-UHFFFAOYSA-N
-rxn:4:221207:225918,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)cc1Cl,GGYJIWVHQNGDRF-UHFFFAOYSA-N
-rxn:4:221207:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,LYALVYQTHLVEHV-UHFFFAOYSA-N
-rxn:4:221207:226033,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1F,HPAJAVDWHOBXBJ-UHFFFAOYSA-N
-rxn:4:221207:226338,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(OC5CCCC5)c4)cc3)CC2)n1,HWGGRANQHBHUTC-UHFFFAOYSA-N
-rxn:4:221207:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OXPOWMXZFFAIMG-UHFFFAOYSA-N
-rxn:4:221207:226756,COc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1C(F)(F)F,RLXLESCHJOBIRS-UHFFFAOYSA-N
-rxn:4:221207:227036,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CC5)ccc4C#N)cc3)CC2)n1,HLMZIWJEELILDN-UHFFFAOYSA-N
-rxn:4:221207:227076,CCC(C)c1ccc(F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,NZTWRPGQCSVSJN-UHFFFAOYSA-N
-rxn:4:221207:227108,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CCC5)ccc4F)cc3)CC2)n1,BLUCBVKFEKQINT-UHFFFAOYSA-N
-rxn:4:221207:227232,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccnc4OCC4CC4)cc3)CC2)n1,XQULIWNALNJRHK-UHFFFAOYSA-N
-rxn:4:221207:227260,COCc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OC,YNZMPXZRQIEMKC-UHFFFAOYSA-N
-rxn:4:221207:227512,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C)cn1,UJXPZEBOSCNHDD-UHFFFAOYSA-N
-rxn:4:221207:227564,COc1ccc(Cl)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1OC,AIESVALQVIDBNP-UHFFFAOYSA-N
-rxn:4:221207:227571,CCOc1cc(F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,AEBKROVZNSFDIS-UHFFFAOYSA-N
-rxn:4:221207:228343,COC(=O)c1sc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C,NDGDHZDFQORLDJ-UHFFFAOYSA-N
-rxn:4:221209:222588,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cc3)CC2)n1,XFOFXNYOKVIPDE-UHFFFAOYSA-N
-rxn:4:221209:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)c1,HRCXYNVQOHCTEY-UHFFFAOYSA-N
-rxn:4:221209:222630,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,NYHLXSVWVJOLQT-UHFFFAOYSA-N
-rxn:4:221209:222992,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5O)cc4)cc3)CC2)n1,KJBWSOYBTDOSQZ-UHFFFAOYSA-N
-rxn:4:221209:223030,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(NC(=O)OC(C)C)c4)cc3)CC2)n1,YCDQOQNIGOIDNQ-UHFFFAOYSA-N
-rxn:4:221209:223123,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(NC(=O)C(C)C)cc4)cc3)CC2)n1,SEXHJMKEWLSWNC-UHFFFAOYSA-N
-rxn:4:221209:223506,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,WBIVIJZOAMMOIQ-UHFFFAOYSA-N
-rxn:4:221209:223567,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,RKEUQUGUEKFFED-UHFFFAOYSA-N
-rxn:4:221209:223809,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cc3)CC2)n1,MUQHWSBAUSKPLR-UHFFFAOYSA-N
-rxn:4:221209:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,DNZKAQXSBKIKOB-UHFFFAOYSA-N
-rxn:4:221209:224064,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cc3)CC2)n1,QMLRFFJNCWGZGA-UHFFFAOYSA-N
-rxn:4:221209:224190,COc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1O[Si](C)(C)C(C)(C)C,YXASGEBZGPFWFZ-UHFFFAOYSA-N
-rxn:4:221209:224497,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,CNZUKQASYUEUDY-UHFFFAOYSA-N
-rxn:4:221209:224585,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)cc3)CC2)n1,MRJJTHHSSFXDHE-UHFFFAOYSA-N
-rxn:4:221209:224587,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,YBGWGAQPFILIBB-UHFFFAOYSA-N
-rxn:4:221209:224886,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(CN5CCC(C)CC5)cc4)cc3)CC2)n1,XRNRMJONMPKUPV-UHFFFAOYSA-N
-rxn:4:221209:224893,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4)cc3)CC2)n1,XYYORXPMWAKBCY-UHFFFAOYSA-N
-rxn:4:221209:225008,COC1CCN(c2ccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,RSWYWZIDUYBQQC-UHFFFAOYSA-N
-rxn:4:221209:225734,CCCCOc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(Cl)c1F,XJROWJJNUBKRQA-UHFFFAOYSA-N
-rxn:4:221209:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,HQZJVAOUDFDBHZ-UHFFFAOYSA-N
-rxn:4:221209:226197,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCCOC5)cc4)cc3)CC2)n1,IWUYEFXCVGRDIQ-UHFFFAOYSA-N
-rxn:4:221209:226420,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(F)c(N5CCCC5)c4)cc3)CC2)n1,AHPRJEDQXMIWFP-UHFFFAOYSA-N
-rxn:4:221209:226659,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2)n1,YLUWXVVPEFXDKM-UHFFFAOYSA-N
-rxn:4:221209:226917,Cc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C(C)(C)C)c1,IFTDYFCRFSKGMO-UHFFFAOYSA-N
-rxn:4:221209:227203,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)OCCCO5)cc3)CC2)n1,XADCOCDHVIYHJT-UHFFFAOYSA-N
-rxn:4:221209:227217,COCCOc1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,DCUQOTKERRXFMB-UHFFFAOYSA-N
-rxn:4:221209:227227,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OCC5CC5)nc4)cc3)CC2)n1,GRSMFONKURIGMD-UHFFFAOYSA-N
-rxn:4:221209:227451,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CC5(F)F)cc4)cc3)CC2)n1,RHCPHFUFOLNLNC-UHFFFAOYSA-N
-rxn:4:221209:227472,CCCOc1ncc(Cl)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,SVVZKPUJZGROBL-UHFFFAOYSA-N
-rxn:4:221209:227477,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccn1,LXGTXSQEJICYFJ-UHFFFAOYSA-N
-rxn:4:221209:227493,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(Cl)nc4CC(C)C)cc3)CC2)n1,QSSXZFJAAPZQAR-UHFFFAOYSA-N
-rxn:4:221209:227533,COC(=O)c1ccc(Cl)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,GNNKSWZDHXFHBF-UHFFFAOYSA-N
-rxn:4:221334:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)cc2C)CC1,NKTLUMWZGKFFLA-UHFFFAOYSA-N
-rxn:4:221379:224746,CC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cn2)CC1,YDJLJFWJHHRDID-UHFFFAOYSA-N
-rxn:4:221392:222634,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)n1,VAIUGEVCHCYCAZ-UHFFFAOYSA-N
-rxn:4:221393:223092,CN(C)S(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c1,FPACOZNMNSAJHQ-UHFFFAOYSA-N
-rxn:4:221401:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCN(c5nccc(N(C)C)n5)CC4)c3)cc2)CC1,COFOAEXOVBHQGQ-UHFFFAOYSA-N
-rxn:4:221404:222465,CN(C)c1nccc(N2CCN(Cc3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,CKFSYVIWJBCKBH-UHFFFAOYSA-N
-rxn:4:221413:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2Cl)CC1,AEMDQUPPIFAPRW-UHFFFAOYSA-N
-rxn:4:221415:224746,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N(C)C)n5)CC4)cc3)cn2)CC1,DAXFRQTUXZFKSS-UHFFFAOYSA-N
-rxn:4:221422:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,ADZACGHZHRTNCD-UHFFFAOYSA-N
-rxn:4:221449:222406,CCNC(=S)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,IAGMYKICEZWDNP-UHFFFAOYSA-N
-rxn:4:221449:222407,CCNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,LHCOQJLGLSJVED-UHFFFAOYSA-N
-rxn:4:221449:222442,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cc3)CC2)n1,SVOPSPLBGVDQHI-UHFFFAOYSA-N
-rxn:4:221449:222550,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCc5ccccc5)c4)cc3)CC2)n1,AQOLNJZETRWKTN-UHFFFAOYSA-N
-rxn:4:221449:222626,Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)cc1,MZERMFBUQHXHMU-UHFFFAOYSA-N
-rxn:4:221449:222777,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)cc3)CC2)n1,VMHWHMYHKXOINR-UHFFFAOYSA-N
-rxn:4:221449:222915,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5=NCCS5)cc4)cc3)CC2)n1,SRQIYSSHXCWZPV-UHFFFAOYSA-N
-rxn:4:221449:222918,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)NC(C)(C)C)c4)cc3)CC2)n1,XFMKGUOOMSYUDV-UHFFFAOYSA-N
-rxn:4:221449:222971,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(C)(C)C)cc4)cc3)CC2)n1,RHOMTMLRICVLCF-UHFFFAOYSA-N
-rxn:4:221449:223033,CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)c1,KDTWVUQDPPWPEO-UHFFFAOYSA-N
-rxn:4:221449:223089,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5[nH]c(C(F)(F)F)nc5c4)cc3)CC2)n1,NYWCRRFWBNNDFR-UHFFFAOYSA-N
-rxn:4:221449:223122,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C(C)C)c4)cc3)CC2)n1,IUGBAEDUPCAIGV-UHFFFAOYSA-N
-rxn:4:221449:223180,CONC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,DWBCPWSMJFDKOE-UHFFFAOYSA-N
-rxn:4:221449:223255,CONC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,HCQVLBVJGNPHBV-UHFFFAOYSA-N
-rxn:4:221449:224046,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN(C)Cc5ccccc5)cc4)cc3)CC2)n1,BTCLXOMPJTYQIK-UHFFFAOYSA-N
-rxn:4:221449:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,IUISKZBZKZLIDN-MCZWQBSQSA-N
-rxn:4:221449:224151,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(OCc5ccccc5)c(Cl)c4)cc3)CC2)n1,CHHCWJQTPBSKFV-UHFFFAOYSA-N
-rxn:4:221449:224247,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4F)cc3)CC2)n1,JBMIRHBMEKNQOO-UHFFFAOYSA-N
-rxn:4:221449:224404,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3)CC2)n1,GBTHUNYNXFQWCO-UHFFFAOYSA-N
-rxn:4:221449:224421,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3)CC2)n1,LHRUUVZXBHQMIL-UHFFFAOYSA-N
-rxn:4:221449:224717,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C(=O)OCc4ccccc4)cc3)CC2)n1,PEQGKJCUKZRGMM-UHFFFAOYSA-N
-rxn:4:221449:224853,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC(C)(C)CC5)cc4)cc3)CC2)n1,VOPOKGKBAGBFIV-UHFFFAOYSA-N
-rxn:4:221449:224970,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,WIVFITVGFHBSLY-UHFFFAOYSA-N
-rxn:4:221449:224975,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,HNKYIYHAMNZVRY-UHFFFAOYSA-N
-rxn:4:221449:224986,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3)CC2)n1,QOXINRIBRHNBGE-UHFFFAOYSA-N
-rxn:4:221449:224991,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3)CC2)n1,UJQLZYFDKMUHFQ-UHFFFAOYSA-N
-rxn:4:221449:225641,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCC(C)C5)c4)cc3)CC2)n1,XOERNEDEUWPNAV-UHFFFAOYSA-N
-rxn:4:221449:226132,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)cc4C)cc3)CC2)n1,IAYYFDRYNSQRET-UHFFFAOYSA-N
-rxn:4:221449:226328,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)(C)C#N)c(F)c4)cc3)CC2)n1,IJGGNXBWWJJDGU-UHFFFAOYSA-N
-rxn:4:221449:226504,CON(C)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,USROXSVJVKMTAW-UHFFFAOYSA-N
-rxn:4:221449:226602,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(OC(C)C)cc4F)cc3)CC2)n1,VAYBSKNYNPUOKI-UHFFFAOYSA-N
-rxn:4:221449:227102,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)(C)C)ccc4F)cc3)CC2)n1,DHUMQHHWUPMEAR-UHFFFAOYSA-N
-rxn:4:221449:227315,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(CC(C)C)cc4F)cc3)CC2)n1,PPIHKKPRGCMYKJ-UHFFFAOYSA-N
-rxn:4:221449:227504,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4OC(C)C)cc3)CC2)n1,DVEYQXDZBIRNIW-UHFFFAOYSA-N
-rxn:4:221449:227903,CCN(C)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,ZCQWSXROVIIELB-UHFFFAOYSA-N
-rxn:4:221449:228087,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC#N)cc4)cc3)CC2)n1,LCKJBFIEXNLXEI-UHFFFAOYSA-N
-rxn:4:221449:228356,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)nc4C(C)C)cc3)CC2)n1,OKGXTRGDDWIAEJ-UHFFFAOYSA-N
-rxn:4:221453:222389,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,KVQPTAZTDWESPY-UHFFFAOYSA-N
-rxn:4:221453:222584,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)CC2)n1,JJRSORURZMQLBU-UHFFFAOYSA-N
-rxn:4:221453:222869,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)NCC(C)C)c4)cc3)CC2)n1,XFZICEYMLHUJSI-UHFFFAOYSA-N
-rxn:4:221453:222947,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCCC(O)C5)nc4Cl)cc3)CC2)n1,ZCAVESZDSJVIFO-UHFFFAOYSA-N
-rxn:4:221453:222994,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(N5CCC(O)CC5)c4)cc3)CC2)n1,GACVDIOAFRISSI-UHFFFAOYSA-N
-rxn:4:221453:222999,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)CC2)n1,FTYMHVVSLWCAKJ-UHFFFAOYSA-N
-rxn:4:221453:223058,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)CC2)n1,WNBOGMCNPDRSAE-UHFFFAOYSA-N
-rxn:4:221453:223094,CC(=O)Nc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1[N+](=O)[O-],TXUDKXAJOAUNHK-UHFFFAOYSA-N
-rxn:4:221453:223108,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)CC2)n1,ZZXQJBVBLBSDFM-UHFFFAOYSA-N
-rxn:4:221453:223482,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)n1,WEXFPZVKWJLZNU-UHFFFAOYSA-N
-rxn:4:221453:223938,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc5cc(Cl)ccc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,LLGDXCMQFFXJBE-UHFFFAOYSA-N
-rxn:4:221453:223952,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)n1,VFUYTTKARGNYPX-UHFFFAOYSA-N
-rxn:4:221453:223955,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(SCc5ccccc5[N+](=O)[O-])cc4)cc3)CC2)n1,OTLOIHNDXWUQHK-UHFFFAOYSA-N
-rxn:4:221453:224607,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc3)CC2)n1,FZBFLYSKSKUUEA-UHFFFAOYSA-N
-rxn:4:221453:225000,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCCCC5)c(F)c4)cc3)CC2)n1,QEWRYCCHMIVFGC-UHFFFAOYSA-N
-rxn:4:221453:225007,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(CN5CCCCC5)c4F)cc3)CC2)n1,IRCWFBONPUITQD-UHFFFAOYSA-N
-rxn:4:221453:225144,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)cc4C#N)cc3)CC2)n1,CGELMVPSUYSBKT-UHFFFAOYSA-N
-rxn:4:221453:225440,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5(C#N)CCCC5)cc4)cc3)CC2)n1,NLEVYHOWANYZNO-UHFFFAOYSA-N
-rxn:4:221453:225576,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCCC5)c(C#N)c4)cc3)CC2)n1,QXDABKZVIDNCHK-UHFFFAOYSA-N
-rxn:4:221453:225633,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)n1,NKWFEXGULHFCRV-UHFFFAOYSA-N
-rxn:4:221453:225657,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c(C)c4)cc3)CC2)n1,ZLDCTIBIHQXJRR-UHFFFAOYSA-N
-rxn:4:221453:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YTSRLBGDWGEFFK-UHFFFAOYSA-N
-rxn:4:221453:225939,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C(C)C)c4)cc3)CC2)n1,DVTRPWIIJWCTGG-UHFFFAOYSA-N
-rxn:4:221453:226001,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)cc3)CC2)n1,SFMSZPIFXKYFPI-UHFFFAOYSA-N
-rxn:4:221453:226144,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)CC2)n1,APFWIGNPJWYOBV-UHFFFAOYSA-N
-rxn:4:221453:226158,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4N4CCCCC4)cc3)CC2)n1,JBJDVMJPLOQCFZ-UHFFFAOYSA-N
-rxn:4:221453:226323,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC5CCCC5)nc4)cc3)CC2)n1,UTYCBPNLPKLZRT-UHFFFAOYSA-N
-rxn:4:221453:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CGILBQDZYMTPSC-UHFFFAOYSA-N
-rxn:4:221453:227220,CCOCSc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,PMPUSZYYFXHUMH-UHFFFAOYSA-N
-rxn:4:221453:227281,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C#N)nc(C(C)C)c4)cc3)CC2)n1,HZQSRUUNFBHHQP-UHFFFAOYSA-N
-rxn:4:221453:227331,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(F)cccc4OC(C)C)cc3)CC2)n1,FJJDTIGMLMCCLW-UHFFFAOYSA-N
-rxn:4:221453:227336,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4OC(C)C)cc3)CC2)n1,HIBFNOQGWZQNOE-UHFFFAOYSA-N
-rxn:4:221453:227489,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N(C)C)c(C#N)c4)cc3)CC2)n1,JSLVYFPTJORZBH-UHFFFAOYSA-N
-rxn:4:221453:228211,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(N5CCCC5)cs4)cc3)CC2)n1,HIKJUEOPOTWVEG-UHFFFAOYSA-N
-rxn:4:221456:222394,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)CC2)n1,JFZOMGBRTQREOA-OGESRWMOSA-N
-rxn:4:221456:222396,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)cc3)CC2)n1,JFZOMGBRTQREOA-UHFFFAOYSA-N
-rxn:4:221456:222409,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1S(N)(=O)=O,LYTVWPLXWAJTJZ-UHFFFAOYSA-N
-rxn:4:221456:222412,CNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,YZAWDYZEKIUKIB-UHFFFAOYSA-N
-rxn:4:221456:222413,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4C)cc3)CC2)n1,CLAOWACKKZHZAG-UHFFFAOYSA-N
-rxn:4:221456:222419,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(N)(=O)=O)c4)cc3)CC2)n1,XXEZVIVSMVUBMV-UHFFFAOYSA-N
-rxn:4:221456:222423,COc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XNCDAVDUBOORSR-UHFFFAOYSA-N
-rxn:4:221456:222431,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5cccc6ccccc56)cc4)cc3)CC2)n1,JLHXJHXMPNLXOR-UHFFFAOYSA-N
-rxn:4:221456:222457,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)cc3)CC2)n1,KUJSAMWYAWJJCC-UHFFFAOYSA-N
-rxn:4:221456:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)ccc2F)cc1,SAHDFBGTDMPRQH-UHFFFAOYSA-N
-rxn:4:221456:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,AVZAVEWALCACEG-UHFFFAOYSA-N
-rxn:4:221456:222537,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)CC2)n1,NAVPPHYBYPUTSG-UHFFFAOYSA-N
-rxn:4:221456:222543,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,WHFMUFDIFDDLEJ-UHFFFAOYSA-N
-rxn:4:221456:222544,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OCc5ccccc5)cc4)cc3)CC2)n1,MCYVRBKUKCIOJH-UHFFFAOYSA-N
-rxn:4:221456:222564,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5ccc(Cl)cc5)c4)cc3)CC2)n1,LPKJKRICTCHAKH-UHFFFAOYSA-N
-rxn:4:221456:222569,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCc5ccc(Cl)cc5)cc4)cc3)CC2)n1,SAOKXKUYBMOWTK-UHFFFAOYSA-N
-rxn:4:221456:222747,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC5CCCO5)cc4)cc3)CC2)n1,MTXUMMOTYFEYFQ-UHFFFAOYSA-N
-rxn:4:221456:222782,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)cc3)CC2)n1,JCZOIDUEAAFHEE-UHFFFAOYSA-N
-rxn:4:221456:222795,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)N5CCOCC5)cc4)cc3)CC2)n1,ADWPOJWYEKUREW-UHFFFAOYSA-N
-rxn:4:221456:222806,CCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,FOOXFTGPFFSGCZ-UHFFFAOYSA-N
-rxn:4:221456:222838,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cc3)CC2)n1,RNAFBJSQKRTJTD-UHFFFAOYSA-N
-rxn:4:221456:222844,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C5CCCC5)c4)cc3)CC2)n1,SFXQYLFQUQWWCA-UHFFFAOYSA-N
-rxn:4:221456:222859,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN(C)C)cc4)cc3)CC2)n1,WDVFRWXOERSJKA-UHFFFAOYSA-N
-rxn:4:221456:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,HZJNZCIUQPEOSB-UHFFFAOYSA-N
-rxn:4:221456:222861,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,BGVRHJFCWBFVGH-UHFFFAOYSA-N
-rxn:4:221456:222862,CCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1F,ILQFWISZVZNUGB-UHFFFAOYSA-N
-rxn:4:221456:222863,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1Cl,WEODICGBEDNDNG-UHFFFAOYSA-N
-rxn:4:221456:222867,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,PEANDQXHQPZNDP-UHFFFAOYSA-N
-rxn:4:221456:222869,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCC(C)C)c4)cc3)CC2)n1,MYTQKSQLLHNMAV-UHFFFAOYSA-N
-rxn:4:221456:222877,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)c(Cl)c4)cc3)CC2)n1,SFSPQFJIVTYODQ-UHFFFAOYSA-N
-rxn:4:221456:222883,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4Cl)cc3)CC2)n1,VUPAKVKIYQILHI-UHFFFAOYSA-N
-rxn:4:221456:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,UPXJYOGZUQPALS-UHFFFAOYSA-N
-rxn:4:221456:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,SHPPGZVHAVKMJO-UHFFFAOYSA-N
-rxn:4:221456:222961,CCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,PZSONVJHAUYOOC-UHFFFAOYSA-N
-rxn:4:221456:222967,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2)n1,QCDVIDVFUNDECG-UHFFFAOYSA-N
-rxn:4:221456:222968,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(C)C)cc4)cc3)CC2)n1,LGWSSGQIUBXCLP-UHFFFAOYSA-N
-rxn:4:221456:222982,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3)CC2)n1,CECHRAPIYNGYNG-MUUNZHRXSA-N
-rxn:4:221456:222999,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)CC2)n1,IDWOACHQNRMYOH-UHFFFAOYSA-N
-rxn:4:221456:223002,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)cc4F)cc3)CC2)n1,XPULTNHHNQMSBP-UHFFFAOYSA-N
-rxn:4:221456:223012,COC(=O)c1cc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)ccc2[nH]1,KIHJCMORLHSUQF-UHFFFAOYSA-N
-rxn:4:221456:223014,COC(=O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc12,CFPYSVFDQSXKQW-UHFFFAOYSA-N
-rxn:4:221456:223015,COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2c1,CMADAERKHGYMCR-UHFFFAOYSA-N
-rxn:4:221456:223019,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCC#N)c4)cc3)CC2)n1,SGICLCXTZUFRSI-UHFFFAOYSA-N
-rxn:4:221456:223020,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCC#N)cc4)cc3)CC2)n1,PDEMKZGTESJASK-UHFFFAOYSA-N
-rxn:4:221456:223037,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C(=O)NC5CC5)c4)cc3)CC2)n1,CAHBPCYNSJZRCV-UHFFFAOYSA-N
-rxn:4:221456:223056,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(O)CC5)nc4)cc3)CC2)n1,WWIXPECXVNBBLN-UHFFFAOYSA-N
-rxn:4:221456:223061,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)CC2)n1,TUXKNZCZMLQKQA-UHFFFAOYSA-N
-rxn:4:221456:223064,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4F)cc3)CC2)n1,UGAVAGKJVOEXCX-UHFFFAOYSA-N
-rxn:4:221456:223067,CC(=O)Nc1nc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2s1,PZGLSJVXIZRFGW-UHFFFAOYSA-N
-rxn:4:221456:223094,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1[N+](=O)[O-],AEFHHYBNTLEMEK-UHFFFAOYSA-N
-rxn:4:221456:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,BLLQWPDJKXEOBN-UHFFFAOYSA-N
-rxn:4:221456:223099,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C(F)(F)F)c4)cc3)CC2)n1,RBQVECYWVZMDKU-UHFFFAOYSA-N
-rxn:4:221456:223104,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)n1,HCYFJJSYUFCEQA-UHFFFAOYSA-N
-rxn:4:221456:223114,CCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,ZMUIKIZRNWYJLZ-UHFFFAOYSA-N
-rxn:4:221456:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,OBZQFUTVNNMENV-UHFFFAOYSA-N
-rxn:4:221456:223120,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NC5CC5)c4)cc3)CC2)n1,WAIWELGVZQQLET-UHFFFAOYSA-N
-rxn:4:221456:223123,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)C(C)C)cc4)cc3)CC2)n1,ZYIKIVXTLJISLY-UHFFFAOYSA-N
-rxn:4:221456:223128,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC5CC5)c(F)c4)cc3)CC2)n1,LMZJJTMBJWHKFG-UHFFFAOYSA-N
-rxn:4:221456:223139,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)n1,FBVYAZFVCHSONI-UHFFFAOYSA-N
-rxn:4:221456:223140,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,ITLCFAHLADVVHQ-UHFFFAOYSA-N
-rxn:4:221456:223142,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,SOQZWKQXIVXIAB-UHFFFAOYSA-N
-rxn:4:221456:223144,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(O)C5)cc4)cc3)CC2)n1,RGKGIZBQGJMBDJ-UHFFFAOYSA-N
-rxn:4:221456:223150,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(NCCN(C)C)c4)cc3)CC2)n1,BXHXSIYACUCVDL-UHFFFAOYSA-N
-rxn:4:221456:223151,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,UAXQFMKYWBKCMO-UHFFFAOYSA-N
-rxn:4:221456:223170,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,SIZYCXMXTDKEEE-UHFFFAOYSA-N
-rxn:4:221456:223178,CONC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,XAQLYFGNBUSSNX-UHFFFAOYSA-N
-rxn:4:221456:223219,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(CNC(C)C)c4)cc3)CC2)n1,IVLOSQAHFPCCJY-UHFFFAOYSA-N
-rxn:4:221456:223226,CCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,QGMBIGFIABYUTD-UHFFFAOYSA-N
-rxn:4:221456:223229,CC(=O)Nc1ccc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,SDKXZJIAWJNDKS-UHFFFAOYSA-N
-rxn:4:221456:223259,CC(=O)Nc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,WUGHDAPASYRSTH-UHFFFAOYSA-N
-rxn:4:221456:223271,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,VXWWPLUJFAYNKW-UHFFFAOYSA-N
-rxn:4:221456:223294,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,RFTWLCHHQJXRGG-UHFFFAOYSA-N
-rxn:4:221456:223310,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC5CC5)cc4)cc3)CC2)n1,ASQAKMLGLVQOAW-UHFFFAOYSA-N
-rxn:4:221456:223312,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CNC5)cc4)cc3)CC2)n1,FWROWBUKNCMSCL-UHFFFAOYSA-N
-rxn:4:221456:223342,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OCCN5)cc3)CC2)n1,ZSIZJMBYXDFACI-UHFFFAOYSA-N
-rxn:4:221456:223356,CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IGZDLJCZDCPUIL-UHFFFAOYSA-N
-rxn:4:221456:223358,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,FIFWTGGHDBSCCE-UHFFFAOYSA-N
-rxn:4:221456:223384,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,OHDLYEQBKHJMTI-UHFFFAOYSA-N
-rxn:4:221456:223385,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C=NO)ccc4Cl)cc3)CC2)n1,ZWAMFELCHKZCSZ-UHFFFAOYSA-N
-rxn:4:221456:223439,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)[nH]n4)cc3)CC2)n1,KMKYHBATENVUAL-UHFFFAOYSA-N
-rxn:4:221456:223486,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cc(N(Cc5ccccc5)Cc5ccccc5)cc4C)cc3)CC2)n1,GTVNABURFVBUEA-UHFFFAOYSA-N
-rxn:4:221456:223501,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,GWNZZJMCXSGCDJ-UHFFFAOYSA-N
-rxn:4:221456:223539,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FTKLMXRVEVOFNS-UHFFFAOYSA-N
-rxn:4:221456:223553,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)cc4)cc3)CC2)n1,ULSUHYICVGGBMJ-UHFFFAOYSA-N
-rxn:4:221456:223569,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)CC2)n1,YNWZRVZGZMBNQE-UHFFFAOYSA-N
-rxn:4:221456:223579,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)CC2)n1,KMJHHTDMKAYMRA-UHFFFAOYSA-N
-rxn:4:221456:223588,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,NVFWJDWPGVRPPH-UHFFFAOYSA-N
-rxn:4:221456:223592,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc3)CC2)n1,SDJYIKRYGJDIEN-UHFFFAOYSA-N
-rxn:4:221456:223647,COc1cc(COc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2Cl)cc(OC)c1,GHWWIPHAQRHRTB-UHFFFAOYSA-N
-rxn:4:221456:223651,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cc3)CC2)n1,FDNSWZWZGKYTCS-UHFFFAOYSA-N
-rxn:4:221456:223738,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5cc(O[Si](C)(C)C(C)(C)C)ccc5c4)cc3)CC2)n1,VONOZTUAXSUPTD-UHFFFAOYSA-N
-rxn:4:221456:223739,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2)n1,RGRXHISBYXAQGD-UHFFFAOYSA-N
-rxn:4:221456:223785,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2Cl)CC1,BXCNCMUHSINTOE-UHFFFAOYSA-N
-rxn:4:221456:223810,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)cc3)CC2)n1,VOJJFMVDIXEVKN-UHFFFAOYSA-N
-rxn:4:221456:223901,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,OASVGHSPCZHNOF-UHFFFAOYSA-N
-rxn:4:221456:223932,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,OZCLVORMQBNAQG-UHFFFAOYSA-N
-rxn:4:221456:223949,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N(C)C)nc4OCc4ccccc4)cc3)CC2)n1,BRKDPENZNNRUHY-UHFFFAOYSA-N
-rxn:4:221456:223952,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)n1,FQRIHDLYYXEBJH-UHFFFAOYSA-N
-rxn:4:221456:224042,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCc6ccccc65)cc4)cc3)CC2)n1,KIVKMJISHQQCEN-UHFFFAOYSA-N
-rxn:4:221456:224084,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5cccc(C#N)c5)cc4)cc3)CC2)n1,IAFOVWCMCPYJJR-UHFFFAOYSA-N
-rxn:4:221456:224086,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5ccccc5C#N)cc4)cc3)CC2)n1,IHAPOIJONHPVHX-UHFFFAOYSA-N
-rxn:4:221456:224099,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SCc5ccccc5C#N)cc4)cc3)CC2)n1,BLVPMLJFWAWJCD-UHFFFAOYSA-N
-rxn:4:221456:224127,CCN1CCN(C(C)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)CC1,MDPFQUFLUUWFMX-UHFFFAOYSA-N
-rxn:4:221456:224135,COC(=O)c1ccc(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)cc1,LUZYQTOGNVHBCE-UHFFFAOYSA-N
-rxn:4:221456:224158,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)CC2)n1,BOMLWQDVQNTNHB-UHFFFAOYSA-N
-rxn:4:221456:224159,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4ccn5C(=O)OC(C)(C)C)cc3)CC2)n1,NVEMSFCZBQFNDY-UHFFFAOYSA-N
-rxn:4:221456:224179,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCN(C)CC5)cc4)cc3)CC2)n1,PXBKLFUFZQTXNR-UHFFFAOYSA-N
-rxn:4:221456:224187,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCCCC5)cc4F)cc3)CC2)n1,DZQUAKASVNGDFB-UHFFFAOYSA-N
-rxn:4:221456:224189,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1O[Si](C)(C)C(C)(C)C,BLAJAEDAJAOQNP-UHFFFAOYSA-N
-rxn:4:221456:224251,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCC(C)C5)cc4F)cc3)CC2)n1,RRRAAQCOJASKFH-UHFFFAOYSA-N
-rxn:4:221456:224282,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N(C)C)c5ccccc45)cc3)CC2)n1,QGJNRKVJSQGIPW-UHFFFAOYSA-N
-rxn:4:221456:224332,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(-c5ccc(C(F)(F)F)cn5)c4)cc3)CC2)n1,RTIFXOKZSOUMRB-UHFFFAOYSA-N
-rxn:4:221456:224340,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(-c5ccc(C(F)(F)F)cc5)c4)cc3)CC2)n1,PCNCHTVYNPALTE-UHFFFAOYSA-N
-rxn:4:221456:224344,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ccccc5C(F)(F)F)nc4)cc3)CC2)n1,SQCSHQYZHRENIO-UHFFFAOYSA-N
-rxn:4:221456:224356,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,KYFSWJYERCBQSB-UHFFFAOYSA-N
-rxn:4:221456:224414,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,LCSBGTMLEUITKP-UHFFFAOYSA-N
-rxn:4:221456:224462,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc3)CC2)n1,WOAZUUGDXPXPNV-UHFFFAOYSA-N
-rxn:4:221456:224483,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCCCC5)cc4)cc3)CC2)n1,PDOWMQYOSMDDRD-UHFFFAOYSA-N
-rxn:4:221456:224610,CCCCc1nc(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)no1,NCEBITOTPFHGTG-UHFFFAOYSA-N
-rxn:4:221456:224653,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4OCC4CCCCO4)cc3)CC2)n1,GAHNMHCNRGMTAK-UHFFFAOYSA-N
-rxn:4:221456:224717,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C(=O)OCc4ccccc4)cc3)CC2)n1,XLJVIZOAXQHOKH-UHFFFAOYSA-N
-rxn:4:221456:224729,COc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1C(=O)OC(C)(C)C,VUIIRLTVKDALKE-UHFFFAOYSA-N
-rxn:4:221456:224757,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,WCQCOTAZUOPAOC-UHFFFAOYSA-N
-rxn:4:221456:224821,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(S(=O)(=O)N5CCCC5)c4)cc3)CC2)n1,UGPBRVVFWPWTHG-UHFFFAOYSA-N
-rxn:4:221456:224826,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cnc1C(F)(F)F,PULGVETXRCKGPX-UHFFFAOYSA-N
-rxn:4:221456:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)CC1,TZNPGJJFUDIYDD-QVYRIUEQSA-N
-rxn:4:221456:224926,CCOc1cc(C)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)ccc2n1,BEMMIQZOBSPXPJ-UHFFFAOYSA-N
-rxn:4:221456:224997,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc3)CC2)n1,ATHURJIMEJLRFS-UHFFFAOYSA-N
-rxn:4:221456:225054,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)cc4Cl)cc3)CC2)n1,ADHVLWCAVPXYBY-UHFFFAOYSA-N
-rxn:4:221456:225075,COC(=O)c1cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2cn1,ZNVPBLLYLMVXMW-UHFFFAOYSA-N
-rxn:4:221456:225086,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)c(Cl)c4)cc3)CC2)n1,QUAOZXCSUIIYSQ-UHFFFAOYSA-N
-rxn:4:221456:225093,CCCOc1c(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1OCC,YHFCGWSCBOEQAR-UHFFFAOYSA-N
-rxn:4:221456:225098,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCCC5)nc4)cc3)CC2)n1,IZDIBIOKKKPFOZ-UHFFFAOYSA-N
-rxn:4:221456:225110,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,IRLUALNPMQFRDZ-UHFFFAOYSA-N
-rxn:4:221456:225113,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)OOC(C)(C)C)c4)cc3)CC2)n1,BFTCVUYUKVNFDH-UHFFFAOYSA-N
-rxn:4:221456:225115,CCOc1c(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1OC(C)C,ROQSWVFOLBFKGJ-UHFFFAOYSA-N
-rxn:4:221456:225144,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)cc4C#N)cc3)CC2)n1,PFEBFXFEDIDQCI-UHFFFAOYSA-N
-rxn:4:221456:225168,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCOCC5)c(F)c4)cc3)CC2)n1,APRIZXMIKQLHLZ-UHFFFAOYSA-N
-rxn:4:221456:225182,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3)CC2)n1,OOMGMPJGVQSNKX-UHFFFAOYSA-N
-rxn:4:221456:225220,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3)CC2)n1,SSJHUKOMUAZXJF-UHFFFAOYSA-N
-rxn:4:221456:225313,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)CC2)n1,ZLNDTBFZEPMJJU-UHFFFAOYSA-N
-rxn:4:221456:225329,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(F)(F)F)c(C#N)c4)cc3)CC2)n1,LEQQCAIOHOIPJZ-UHFFFAOYSA-N
-rxn:4:221456:225373,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)cc1OC(F)(F)F,AUCYINXCVPCBAG-UHFFFAOYSA-N
-rxn:4:221456:225375,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(F)(F)C(F)(F)F)cc4)cc3)CC2)n1,IVZPBZPXLOTWSY-UHFFFAOYSA-N
-rxn:4:221456:225380,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)CC2)n1,XDGDYBUPZMBPJV-UHFFFAOYSA-N
-rxn:4:221456:225428,CCCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C)c1,KNQUUBAKHGIMKL-UHFFFAOYSA-N
-rxn:4:221456:225438,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N5CCCC5)cc4)cc3)CC2)n1,ZWTGGQUGFQOZQP-UHFFFAOYSA-N
-rxn:4:221456:225452,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5C=CCCC5)cc4)cc3)CC2)n1,PWZYOZLIQORWPG-UHFFFAOYSA-N
-rxn:4:221456:225499,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCCC5)cc4F)cc3)CC2)n1,MBSBBCMXQZWODC-UHFFFAOYSA-N
-rxn:4:221456:225521,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1OC,GANCDZDFJGJHKF-UHFFFAOYSA-N
-rxn:4:221456:225524,CCCCCOc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,PFBYNJJTVSELEK-UHFFFAOYSA-N
-rxn:4:221456:225525,CCOC(=O)CCc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,IBOPAQSRVSEJDZ-UHFFFAOYSA-N
-rxn:4:221456:225529,CCN(CC)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1F,RQIVYZWFKXBALI-UHFFFAOYSA-N
-rxn:4:221456:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CKMBFGNRMYSVRS-UHFFFAOYSA-N
-rxn:4:221456:225549,CCCCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,JHDXDSBDJUAJQR-UHFFFAOYSA-N
-rxn:4:221456:225597,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCCC5)nc4)cc3)CC2)n1,DVECKVXGYGHJGU-UHFFFAOYSA-N
-rxn:4:221456:225631,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3)CC2)n1,RPXUYPRITJYSEX-UHFFFAOYSA-N
-rxn:4:221456:225637,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4N4CCN(C)CC4)cc3)CC2)n1,GYSCKAISTYZKFT-UHFFFAOYSA-N
-rxn:4:221456:225657,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)c(C)c4)cc3)CC2)n1,QSBYQLXOAOLFKO-UHFFFAOYSA-N
-rxn:4:221456:225679,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)cc4F)cc3)CC2)n1,YJTZEORYYOLUQS-UHFFFAOYSA-N
-rxn:4:221456:225685,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(C5CCCCC5)c4)cc3)CC2)n1,YHXRLAQGPALOED-UHFFFAOYSA-N
-rxn:4:221456:225703,COC(=O)c1cc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)ccc2s1,ANJNPSKTAPDKKC-UHFFFAOYSA-N
-rxn:4:221456:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,LWNJEFBENQKFNR-UHFFFAOYSA-N
-rxn:4:221456:225754,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C2CC2)cn1,MZPBGTRCJSGCRQ-UHFFFAOYSA-N
-rxn:4:221456:225756,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C(C)C)cn1,AJUFGZROEFYGHV-UHFFFAOYSA-N
-rxn:4:221456:225794,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCCCC5)nc4)cc3)CC2)n1,IPAGVESLTAJZFB-UHFFFAOYSA-N
-rxn:4:221456:225804,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC5)c(F)c4)cc3)CC2)n1,OFIWCDSQCXNHQG-UHFFFAOYSA-N
-rxn:4:221456:225825,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,PAZWKGTYCLFARH-UHFFFAOYSA-N
-rxn:4:221456:225828,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,UXHAWBDFWCHCOL-UHFFFAOYSA-N
-rxn:4:221456:225852,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4Cl)cc3)CC2)n1,MCOQOIBVSJEJOO-UHFFFAOYSA-N
-rxn:4:221456:225898,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)CC2)n1,UIWIAWNWCXVGRS-UHFFFAOYSA-N
-rxn:4:221456:225947,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)CC2)n1,HIYBMHRFSWJUPE-UHFFFAOYSA-N
-rxn:4:221456:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,JRFGHKUEOVVEOW-UHFFFAOYSA-N
-rxn:4:221456:226000,CC(=O)Oc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1[N+](=O)[O-],HVKLQRUDAWPENF-UHFFFAOYSA-N
-rxn:4:221456:226030,COc1c(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C(F)(F)F,VMQURZGJMNAPGC-UHFFFAOYSA-N
-rxn:4:221456:226060,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(C5CC5)c4)cc3)CC2)n1,ILYNHJOWRWFIQX-UHFFFAOYSA-N
-rxn:4:221456:226068,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc3)CC2)n1,WRTFXXQDRDKOQC-UHFFFAOYSA-N
-rxn:4:221456:226090,CCN(CC)Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,OXLXBTWEHGCGKZ-UHFFFAOYSA-N
-rxn:4:221456:226101,CCN(CC)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C)c1,HTMKTSRNIWOUIP-UHFFFAOYSA-N
-rxn:4:221456:226108,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC(C)(C)C)c4)cc3)CC2)n1,KPANUGRSGLWWCV-UHFFFAOYSA-N
-rxn:4:221456:226116,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CC5)c(C)c4)cc3)CC2)n1,ZWYLYZSYGKSKCX-UHFFFAOYSA-N
-rxn:4:221456:226130,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCCC5)cc4)cc3)CC2)n1,QGDLDWLWOBZVQD-UHFFFAOYSA-N
-rxn:4:221456:226149,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C(C)(C)C,AZRAXKLAWUXKMT-UHFFFAOYSA-N
-rxn:4:221456:226176,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccncc4C4CCCCC4)cc3)CC2)n1,SJNPHJYPRSVPDE-UHFFFAOYSA-N
-rxn:4:221456:226177,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)CC2)n1,MWDIHRLKOHGWNV-UHFFFAOYSA-N
-rxn:4:221456:226179,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCCC5)c4)cc3)CC2)n1,HMJWMHFHCNQUBP-UHFFFAOYSA-N
-rxn:4:221456:226180,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C2CCCC2)n1,RRDNRZLRCPKTPI-UHFFFAOYSA-N
-rxn:4:221456:226270,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C=C(C#N)C#N)c4)cc3)CC2)n1,RCWHZQGXZLIQGM-UHFFFAOYSA-N
-rxn:4:221456:226277,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(C)(C)C)nc4)cc3)CC2)n1,IMYDXNWNZVVOOW-UHFFFAOYSA-N
-rxn:4:221456:226285,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCC(C)C)ccc4Cl)cc3)CC2)n1,LFBYXDPHALMWQB-UHFFFAOYSA-N
-rxn:4:221456:226300,CCCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,WLUKFTLGAAECEW-UHFFFAOYSA-N
-rxn:4:221456:226348,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)(C)C)cc4Cl)cc3)CC2)n1,IPSPXYDFWWHKFB-UHFFFAOYSA-N
-rxn:4:221456:226352,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(OC(C)C)cc4Cl)cc3)CC2)n1,DUPGUIGJSHDTHY-UHFFFAOYSA-N
-rxn:4:221456:226366,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4)cc3)CC2)n1,HJLBEGRZVLAVGH-UHFFFAOYSA-N
-rxn:4:221456:226382,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,ZOAATOBBZHVKBV-UHFFFAOYSA-N
-rxn:4:221456:226480,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)n1,JDCVWAQFYOALFF-UHFFFAOYSA-N
-rxn:4:221456:226481,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1OCC#N,LLWCNTHYYDZOMB-UHFFFAOYSA-N
-rxn:4:221456:226544,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(OC)c1,FRDLECCMIKRQSA-UHFFFAOYSA-N
-rxn:4:221456:226567,COC(=O)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,DDBNJZMFYQYPAK-UHFFFAOYSA-N
-rxn:4:221456:226721,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(OC)n1,IDLCUSQMBQGJFH-UHFFFAOYSA-N
-rxn:4:221456:226736,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C#N)cc3)CC2)n1,AMKXIPHACKRURM-UHFFFAOYSA-N
-rxn:4:221456:226741,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)ccc4C#N)cc3)CC2)n1,AJMBNIHDDNSLTM-UHFFFAOYSA-N
-rxn:4:221456:226744,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cnc1C(F)(F)F,PUGJJDIBUSFUMX-UHFFFAOYSA-N
-rxn:4:221456:226758,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C(F)(F)F,BQDPJBJTCAEGIL-UHFFFAOYSA-N
-rxn:4:221456:226825,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C(F)(F)F)cc4C)cc3)CC2)n1,KRLSBQXLCYFWPT-UHFFFAOYSA-N
-rxn:4:221456:226833,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(F)(F)F)nc4)cc3)CC2)n1,SPJLSKFRLOBOOZ-UHFFFAOYSA-N
-rxn:4:221456:226837,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)nn(CC(F)(F)F)c4C)cc3)CC2)n1,SUJQQNPBRDRPFE-UHFFFAOYSA-N
-rxn:4:221456:226838,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C#N)c(C(F)(F)F)c4)cc3)CC2)n1,NQTZCXCAHNEJOY-UHFFFAOYSA-N
-rxn:4:221456:226840,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)nc(C(F)(F)F)c4)cc3)CC2)n1,COXYKMLIYOFBJL-UHFFFAOYSA-N
-rxn:4:221456:226843,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,PPZJWEWAWJPSGP-UHFFFAOYSA-N
-rxn:4:221456:226886,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)CC2)n1,ZPBWXBZSYHBDMJ-UHFFFAOYSA-N
-rxn:4:221456:226990,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CCN(C)C)cc4)cc3)CC2)n1,IKJXRXIWUNQBQT-UHFFFAOYSA-N
-rxn:4:221456:226996,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SCC5CC5)cc4)cc3)CC2)n1,BQKCGSRSFPZXIX-UHFFFAOYSA-N
-rxn:4:221456:227000,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCC4CC4)cc3)CC2)n1,LJWVUFCDYFWCFK-UHFFFAOYSA-N
-rxn:4:221456:227066,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)C5CC5)c4)cc3)CC2)n1,VTUZVSKJQMXPPM-UHFFFAOYSA-N
-rxn:4:221456:227185,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2)n1,LCQLYPCLGFTCHS-UHFFFAOYSA-N
-rxn:4:221456:227199,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)N(C)C(=O)C5)cc3)CC2)n1,VXWHTSVWZZOQRW-UHFFFAOYSA-N
-rxn:4:221456:227209,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OC(C)(C)O5)cc3)CC2)n1,AWMFZCBBBRAHGF-UHFFFAOYSA-N
-rxn:4:221456:227210,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,WVKDDOYYSDYLGK-UHFFFAOYSA-N
-rxn:4:221456:227214,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCC#N)cc4)cc3)CC2)n1,VZVPUJANPHSJKN-UHFFFAOYSA-N
-rxn:4:221456:227238,CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,ROHUMUBWRHQECS-UHFFFAOYSA-N
-rxn:4:221456:227254,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,KKPAAQKWJSPJBS-UHFFFAOYSA-N
-rxn:4:221456:227277,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)c(C#N)c4)cc3)CC2)n1,NHRLLJSJRFVQTH-UHFFFAOYSA-N
-rxn:4:221456:227278,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,ARVNOVITRQZOBB-UHFFFAOYSA-N
-rxn:4:221456:227279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nn4C(C)C)cc3)CC2)n1,WSCRGWVQRKAKIF-UHFFFAOYSA-N
-rxn:4:221456:227280,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ncc4C(C)C)cc3)CC2)n1,AORVBSCQTNZACT-UHFFFAOYSA-N
-rxn:4:221456:227310,CCC(C)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,ZMGCYVNJKCDFFX-UHFFFAOYSA-N
-rxn:4:221456:227312,CCC(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)n1,MMMMXXDKJJZOIV-UHFFFAOYSA-N
-rxn:4:221456:227357,CCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,DIMKQSIKRYNFAI-UHFFFAOYSA-N
-rxn:4:221456:227365,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C)c1F,QFTOFJBCSUFVJM-UHFFFAOYSA-N
-rxn:4:221456:227369,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ccc4OC4CC4)cc3)CC2)n1,WZSCPNYDTHSGLD-UHFFFAOYSA-N
-rxn:4:221456:227376,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(N5CCCC5)c4)cc3)CC2)n1,GBUZEFFZDOUVOH-UHFFFAOYSA-N
-rxn:4:221456:227475,CCOC(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,DNMZEBVNUGWOLU-UHFFFAOYSA-N
-rxn:4:221456:227477,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccn1,CGXADCOXWWCQNK-UHFFFAOYSA-N
-rxn:4:221456:227483,COC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,HOJNXNPCGXDREB-UHFFFAOYSA-N
-rxn:4:221456:227489,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N(C)C)c(C#N)c4)cc3)CC2)n1,FEFXBDKNSFNOKZ-UHFFFAOYSA-N
-rxn:4:221456:227508,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C)n1,HYEIKFFIPXULSX-UHFFFAOYSA-N
-rxn:4:221456:227519,COC(=O)c1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,AJVUTGYZLFCITN-UHFFFAOYSA-N
-rxn:4:221456:227522,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C)n1,QMUWWWAPOMKBFS-UHFFFAOYSA-N
-rxn:4:221456:227553,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1,NENPOUNKQJXWHC-UHFFFAOYSA-N
-rxn:4:221456:227567,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(Cl)c1OC,DJRLJJOIWIDQCT-UHFFFAOYSA-N
-rxn:4:221456:227578,COc1cc(OC)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,UZNFOZOBKOVURJ-UHFFFAOYSA-N
-rxn:4:221456:227775,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)nc4Cl)cc3)CC2)n1,GCDSWGYXDQASAF-UHFFFAOYSA-N
-rxn:4:221456:227837,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C2CC2)c1,YMECTZTYSGYFDQ-UHFFFAOYSA-N
-rxn:4:221456:227869,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CC(C)O5)cc3)CC2)n1,UWDCUMKRSJFIQW-UHFFFAOYSA-N
-rxn:4:221456:227902,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1C#N,DYJMQQQBHJJRJE-UHFFFAOYSA-N
-rxn:4:221456:227911,CCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C#N,SAJRTDFONXFPQR-UHFFFAOYSA-N
-rxn:4:221456:227913,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)C)cc4)cc3)CC2)n1,MYUYKWGZVRPOJH-UHFFFAOYSA-N
-rxn:4:221456:227920,CCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,QOVRTFFRPZBBME-UHFFFAOYSA-N
-rxn:4:221456:227951,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([N+](C)(C)C)cc4)cc3)CC2)n1,CMQZSVPMQSZOOU-UHFFFAOYSA-N
-rxn:4:221456:227966,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4C(C)(C)C)cc3)CC2)n1,VCUVTJZVUNADBJ-UHFFFAOYSA-N
-rxn:4:221456:227971,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnccc4C(C)(C)C)cc3)CC2)n1,LGJUAPWNPCOFCL-UHFFFAOYSA-N
-rxn:4:221456:227974,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(C)c1,ZDOJGFNCEBEQAD-UHFFFAOYSA-N
-rxn:4:221456:228022,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C(C)C)cc3)CC2)n1,PNWNAQRFLOFSJP-UHFFFAOYSA-N
-rxn:4:221456:228084,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,FFKMINVOTVBBIM-UHFFFAOYSA-N
-rxn:4:221456:228088,CCCSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,XQWLWASSTSHYFQ-UHFFFAOYSA-N
-rxn:4:221456:228099,CCN(C)c1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,KWPQJUXLKVPFII-UHFFFAOYSA-N
-rxn:4:221456:228101,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)CC2)n1,GOYHQXKYMIIVFN-UHFFFAOYSA-N
-rxn:4:221456:228102,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncnc4CC(C)C)cc3)CC2)n1,VEOHUPUQOWOQLM-UHFFFAOYSA-N
-rxn:4:221456:228103,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(CC(C)C)nc4)cc3)CC2)n1,GRHQRELKKAEQLG-UHFFFAOYSA-N
-rxn:4:221456:228119,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SC(C)C)nc4)cc3)CC2)n1,UNIWZLCPMKWKIL-UHFFFAOYSA-N
-rxn:4:221456:228122,CCOc1nc(C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,HKEBLTVWUZFTGX-UHFFFAOYSA-N
-rxn:4:221456:228123,CCOc1cncc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,JLKXJMBYLLPQFA-UHFFFAOYSA-N
-rxn:4:221456:228128,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C#N,MEMFVVVLLOITBM-UHFFFAOYSA-N
-rxn:4:221456:228141,CCCc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,UFVRSPCCHHRRLI-UHFFFAOYSA-N
-rxn:4:221456:228143,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,MJPHPETZEYHLAJ-UHFFFAOYSA-N
-rxn:4:221456:228169,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,ZKLZEFIIETXJPS-UHFFFAOYSA-N
-rxn:4:221456:228187,COCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1,IECYPJKRJAXNMI-UHFFFAOYSA-N
-rxn:4:221456:228194,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)nn(C(C)C)c4C)cc3)CC2)n1,NWDSVSQNRQAKQV-UHFFFAOYSA-N
-rxn:4:221456:228198,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(C)C)nc4C)cc3)CC2)n1,JFPSAJZVLUYQCC-UHFFFAOYSA-N
-rxn:4:221456:228239,COc1nc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C,ILZHWXRACOHMSG-UHFFFAOYSA-N
-rxn:4:221456:228266,CSc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc(C)c1Cl,DAFQQLQAOGSCTB-UHFFFAOYSA-N
-rxn:4:221456:228270,COc1cc(Cl)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,KBNAFSQHCFCPMS-UHFFFAOYSA-N
-rxn:4:221456:228295,CCOC(=O)n1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,AYWCSMVLNBDXOI-UHFFFAOYSA-N
-rxn:4:221456:228311,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)n1,WFUNJPHUGUKKRT-UHFFFAOYSA-N
-rxn:4:221456:228320,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccn1,ZBJBIJVUYHVUBH-UHFFFAOYSA-N
-rxn:4:221456:228344,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SC(F)F)cc4)cc3)CC2)n1,AUSWMNTXYDUCKS-UHFFFAOYSA-N
-rxn:4:221456:228362,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)nc4C4CC4)cc3)CC2)n1,MUFXIITVSMBJAK-UHFFFAOYSA-N
-rxn:4:221456:228369,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])ccc4C)cc3)CC2)n1,ZCYJFKNEXGZWFR-UHFFFAOYSA-N
-rxn:4:221456:228410,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1F,CQQXDPLGRGUJQL-UHFFFAOYSA-N
-rxn:4:221456:228500,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)CC2)n1,HCKOSUQMFICQCB-UHFFFAOYSA-N
-rxn:4:221456:228677,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(CC(C)C)c4)cc3)CC2)n1,XMVSWPLYUQJULI-UHFFFAOYSA-N
-rxn:4:221456:228695,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(CN(C)C)c4)cc3)CC2)n1,OUBXYFJMKBXEPK-UHFFFAOYSA-N
-rxn:4:221456:228707,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C(C)(C)C)c4)cc3)CC2)n1,OXBQCUHSCNQWMU-UHFFFAOYSA-N
-rxn:4:221456:228935,CC(=O)c1cc(Cl)sc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,BHBNZHGRCMGOKT-UHFFFAOYSA-N
-rxn:4:221456:228975,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C(F)(F)F)c4)cc3)CC2)n1,RZQVJBITHLHLAJ-UHFFFAOYSA-N
-rxn:4:221491:224394,Cc1ccc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,RLWNGIULERCLPX-UHFFFAOYSA-N
-rxn:4:221498:224737,CC(C)COc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)c(C(F)(F)F)c1,FXHRHTHMIRQVIT-UHFFFAOYSA-N
-rxn:4:221535:222538,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,NJMZTEIDBWOZLA-UHFFFAOYSA-N
-rxn:4:221552:224758,CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,FXBYRGMDMNVHBA-UHFFFAOYSA-N
-rxn:4:221639:223534,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cn3)CC2)n1,RTMTZMPYGAXWAX-UHFFFAOYSA-N
-rxn:4:221728:223602,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4s3)CC2)n(C2CC2)c1=O,DPYSXQXLOPPWJQ-UHFFFAOYSA-N
-rxn:4:221736:223641,CCc1cc2c(cc1F)cc(-c1cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c1)n2C(=O)OC(C)(C)C,RSTPAOAZWYZFQO-UHFFFAOYSA-N
-rxn:4:221914:222951,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cnc(NC(C)=O)cc4C(F)(F)F)cc3)n2)CC1,BWUIXOMEJVOYFI-UHFFFAOYSA-N
-rxn:4:221965:222418,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(N)(=O)=O)cc5)cc4)CC3)nn2)CC1,YPCDVNWXLSWXGC-UHFFFAOYSA-N
-rxn:4:221965:223178,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)NOC)ccc5F)cc4)CC3)nn2)CC1,HYWFMJZHUJNNRB-UHFFFAOYSA-N
-rxn:4:221965:223180,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NOC)c(F)c5)cc4)CC3)nn2)CC1,CXBJIRXFWLHNFB-UHFFFAOYSA-N
-rxn:4:221975:222388,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)Nc7ccc([N+](=O)[O-])cc7)c6)cc5)no4)C3C2=O)cc1,PTVGVSVKROJLDL-UHFFFAOYSA-N
-rxn:4:221975:222522,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCC(O)CC7)c6)cc5)no4)C3C2=O)cc1,KYLNBUUMZNFUSI-UHFFFAOYSA-N
-rxn:4:221975:222706,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ccc6C(F)(F)F)cc5)no4)C3C2=O)cc1,JLRYLJBFQQGQPO-UHFFFAOYSA-N
-rxn:4:221975:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,UYGMOCCQILPUTD-UHFFFAOYSA-N
-rxn:4:221975:222875,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)(C)C)ccc6F)cc5)no4)C3C2=O)cc1,HIPRFGMLELNMKK-UHFFFAOYSA-N
-rxn:4:221975:222919,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,YLCRMVYROVEGTK-UHFFFAOYSA-N
-rxn:4:221975:222920,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC7CC7)cc6C)cc5)no4)C3C2=O)cc1,DWIYUWJCRYWISH-UHFFFAOYSA-N
-rxn:4:221975:222970,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6C(=O)NCC(C)C)cc5)no4)C3C2=O)cc1,YUFAFZYRMRULSG-UHFFFAOYSA-N
-rxn:4:221975:222972,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6NC(=O)C(C)(C)C)cc5)no4)C3C2=O)cc1,UCTLXPNKJUQERN-UHFFFAOYSA-N
-rxn:4:221975:223002,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1,DHQBAJUCDVPXBB-UHFFFAOYSA-N
-rxn:4:221975:223029,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)C)cc6)cc5)no4)C3C2=O)cc1,NNFYSVOTLYOEIS-UHFFFAOYSA-N
-rxn:4:221975:223031,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(OC)c1,WSCNNLJVIZWSHL-UHFFFAOYSA-N
-rxn:4:221975:223653,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7cc(OC)c(Cl)cc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,NJIVYMDUWNZSSS-UHFFFAOYSA-N
-rxn:4:221975:223817,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(CCN7C(=O)c8ccccc8C7=O)c6)cc5)no4)C3C2=O)cc1,IFCFCWZVJPECDE-UHFFFAOYSA-N
-rxn:4:221975:223970,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,NEYJIAQBIJFNNR-UHFFFAOYSA-N
-rxn:4:221975:224077,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn([Si](C)(C)C(C)(C)C)c7ccccc67)cc5)no4)C3C2=O)cc1,FCGFKJKIMAOQMW-UHFFFAOYSA-N
-rxn:4:221975:224087,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCN7CCCCCC7)c6)cc5)no4)C3C2=O)cc1,VXODENMWTIUALU-UHFFFAOYSA-N
-rxn:4:221975:224182,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)c(C)c6)cc5)no4)C3C2=O)cc1,WYISBYYNOODNOR-UHFFFAOYSA-N
-rxn:4:221975:224197,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)cc2F)CC1,WZGOTMBJDFYWCN-UHFFFAOYSA-N
-rxn:4:221975:224243,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1,UNUNYHIDAALUIA-UHFFFAOYSA-N
-rxn:4:221975:224377,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,PXXHXQNLKNGZOD-UHFFFAOYSA-N
-rxn:4:221975:224658,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C(C)=O)CC7)cc6)cc5)no4)C3C2=O)cc1,LFKPMMSPQWJZCY-UHFFFAOYSA-N
-rxn:4:221975:224681,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)c(F)c6)cc5)no4)C3C2=O)cc1,HXMXJYDOOBYVMV-UHFFFAOYSA-N
-rxn:4:221975:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)ccc1C,BOLHYVYHQDKZQY-UHFFFAOYSA-N
-rxn:4:221975:224757,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)cc(C(=O)N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,RKJCNLQSMXGBCC-UHFFFAOYSA-N
-rxn:4:221975:224767,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCOCC7)c6F)cc5)no4)C3C2=O)cc1,MJFLUKPZJZCPJV-UHFFFAOYSA-N
-rxn:4:221975:224771,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,JAPBFKMNQWMVRI-UHFFFAOYSA-N
-rxn:4:221975:224992,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN6CCC(=O)CC6)cc5)no4)C3C2=O)cc1,ZEGBZYNWNICGOH-UHFFFAOYSA-N
-rxn:4:221975:225110,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,ZPOAULKJHSQPDB-UHFFFAOYSA-N
-rxn:4:221975:225125,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OCC6CCOC6)cc5)no4)C3C2=O)cc1,YNDRBGKYPNXWJL-UHFFFAOYSA-N
-rxn:4:221975:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)CC1,QPFDXTYZWXTOJV-UHFFFAOYSA-N
-rxn:4:221975:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c1,ABFHZNQCRQCRTQ-UHFFFAOYSA-N
-rxn:4:221975:225426,CCN(CC)C(C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1,GIUUVPZXKZKILK-UHFFFAOYSA-N
-rxn:4:221975:225447,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,OJHRKMSSXOADEJ-UHFFFAOYSA-N
-rxn:4:221975:225577,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC7)cc6C#N)cc5)no4)C3C2=O)cc1,WXWJHTWIVNJNLU-UHFFFAOYSA-N
-rxn:4:221975:225810,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)cc6C6OCCO6)cc5)no4)C3C2=O)cc1,IGFINNDMQCXBSM-UHFFFAOYSA-N
-rxn:4:221975:225812,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C)c(F)c(OC(C)C)c6F)cc5)no4)C3C2=O)cc1,MKZKKBLGVZOSOM-UHFFFAOYSA-N
-rxn:4:221975:225896,COCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(F)cc1F,MLQVUJQXULCLBO-UHFFFAOYSA-N
-rxn:4:221975:225932,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,CNSIURPDIDTVDS-UHFFFAOYSA-N
-rxn:4:221975:225988,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(C7OCCO7)cc6F)cc5)no4)C3C2=O)cc1,LLCMBNAVONJOCG-UHFFFAOYSA-N
-rxn:4:221975:226008,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1,MAUOBWYEOOLKTR-UHFFFAOYSA-N
-rxn:4:221975:226012,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC(F)(F)F)cc6F)cc5)no4)C3C2=O)cc1,SYEWQXXZNOUAMJ-UHFFFAOYSA-N
-rxn:4:221975:226425,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)s6)cc5)no4)C3C2=O)cc1,MUFVFJXZZLGFEL-UHFFFAOYSA-N
-rxn:4:221975:226428,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7C)cs6)cc5)no4)C3C2=O)cc1,TYIMYYVKGYKBFD-UHFFFAOYSA-N
-rxn:4:221975:226502,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccn(C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,ONZNNVWQAJBLIU-UHFFFAOYSA-N
-rxn:4:221975:226836,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1,GGDNMNUMWPZWQD-UHFFFAOYSA-N
-rxn:4:221980:225881,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(C6CCOCC6)nc5F)c4)sc3n2)CC1,MEUYFMFRSPGCQX-UHFFFAOYSA-N
-rxn:4:221982:222629,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCNC7)nc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,JDYRMCFNMNTQHL-UHFFFAOYSA-N
-rxn:4:221982:222635,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc([C@H](C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,LZQDXKNBLWRIPR-KCOBHRJASA-N
-rxn:4:221982:222819,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)N7CCOCC7)nc6)cc5)no4)C3C2=O)cc1,OSNIOVQJPXREPE-UHFFFAOYSA-N
-rxn:4:221982:222849,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,PVSIAIDYVMVXHR-UHFFFAOYSA-N
-rxn:4:221982:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,UEWXCCAALPFFKR-UHFFFAOYSA-N
-rxn:4:221982:222913,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)C7CC7)cc6)cc5)no4)C3C2=O)cc1,IAWWWSMKQVYUIA-UHFFFAOYSA-N
-rxn:4:221982:223002,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1,IMCNKVUUKINVNL-UHFFFAOYSA-N
-rxn:4:221982:223036,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)C(C)(C)C)nc6)cc5)no4)C3C2=O)cc1,YAFUMJVHDJCJPO-UHFFFAOYSA-N
-rxn:4:221982:223049,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)cc6F)cc5)no4)C3C2=O)cc1,HVNLPIAMYMZWPN-UHFFFAOYSA-N
-rxn:4:221982:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C,MYLTUVAHGUTYDK-UHFFFAOYSA-N
-rxn:4:221982:223104,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,LHXARNMVKWWAGU-UHFFFAOYSA-N
-rxn:4:221982:223122,CC(C)C(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,ABBUGSGGZVTCDE-UHFFFAOYSA-N
-rxn:4:221982:223167,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(N7CCNCC7)c6)cc5)no4)C3C2=O)cc1,NINRIKRWWFDIFQ-UHFFFAOYSA-N
-rxn:4:221982:223227,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)NC7CC7)s6)cc5)no4)C3C2=O)cc1,CNNTYZOXYOSUGW-UHFFFAOYSA-N
-rxn:4:221982:223475,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(O[Si](c7ccccc7)(c7ccccc7)C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,UNDXZHSMMNCWMO-UHFFFAOYSA-N
-rxn:4:221982:223508,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(S(=O)(=O)c8ccc(Cl)cc8)CC7)nc6)cc5)no4)C3C2=O)cc1,MBFFKGXEORNBIH-UHFFFAOYSA-N
-rxn:4:221982:223571,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7C(=O)c8ccccc8C7=O)cc6)cc5)no4)C3C2=O)cc1,BFZPDBSKLFCHAV-UHFFFAOYSA-N
-rxn:4:221982:223777,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6F)CCN(C(=O)OC(C)(C)C)C7)cc5)no4)C3C2=O)cc1,PINVXUTZGKJEFI-UHFFFAOYSA-N
-rxn:4:221982:223809,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCOCC7)cc(N7CCOCC7)c6)cc5)no4)C3C2=O)cc1,PIBMEJQGJMLYBH-UHFFFAOYSA-N
-rxn:4:221982:223919,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,HKVCBDYMHWZOFV-UHFFFAOYSA-N
-rxn:4:221982:224011,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCN(C)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,GIYWCYSUHVLYFV-UHFFFAOYSA-N
-rxn:4:221982:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,BBRJAZNXCUPMKM-UHFFFAOYSA-N
-rxn:4:221982:224276,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(=O)OC(C)(C)C)c7cccnc67)cc5)no4)C3C2=O)cc1,BIGFWFYMFDWYEO-UHFFFAOYSA-N
-rxn:4:221982:224394,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)N1CCOCC1,CFNHOBLJSUWINN-UHFFFAOYSA-N
-rxn:4:221982:224462,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCN(C8CC8)CC7)cc6)cc5)no4)C3C2=O)cc1,KUCSSNPAGFCELK-UHFFFAOYSA-N
-rxn:4:221982:224501,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCCCN7C)cc6)cc5)no4)C3C2=O)cc1,BSXDJMVPNQHGKY-UHFFFAOYSA-N
-rxn:4:221982:224740,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N(C)C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,KIZLJVULGOZVRW-UHFFFAOYSA-N
-rxn:4:221982:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,KVROKNNAIXNTQO-UHFFFAOYSA-N
-rxn:4:221982:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,JVQYDZDRZBGEEV-UHFFFAOYSA-N
-rxn:4:221982:224811,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,STMNYCUSUGORIB-UHFFFAOYSA-N
-rxn:4:221982:224885,CC1CCN(Cc2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)CC1,WRTZHPVWTPGDFZ-UHFFFAOYSA-N
-rxn:4:221982:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,OMXRDEKTPQACGS-UHFFFAOYSA-N
-rxn:4:221982:225219,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7C)cc6F)cc5)no4)C3C2=O)cc1,HHDBYTNKIBGQIQ-UHFFFAOYSA-N
-rxn:4:221982:225227,CC1CCN(c2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2Cl)CC1,MWQLIHAQUJMTPO-UHFFFAOYSA-N
-rxn:4:221982:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,NMDLFNBYNNKJRE-UHFFFAOYSA-N
-rxn:4:221982:225320,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(F)c6F)cc5)no4)C3C2=O)cc1,ZXVDREVYHVAZQD-UHFFFAOYSA-N
-rxn:4:221982:225358,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,CZMASDPDVHYSSR-UHFFFAOYSA-N
-rxn:4:221982:225394,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)cc(C7CC7)c6)cc5)no4)C3C2=O)cc1,SZTUDLYKBINKDF-UHFFFAOYSA-N
-rxn:4:221982:225507,COC(=O)C1CCc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)ccc21,WDTAQXWVIYFRBY-UHFFFAOYSA-N
-rxn:4:221982:225557,COC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)cc2)CC1,DRWVOVPQDYLZHI-UHFFFAOYSA-N
-rxn:4:221982:225664,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1,ULPPHGIAXZSEPI-UHFFFAOYSA-N
-rxn:4:221982:225721,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cn1,HRDMJQRDYXXMLR-UHFFFAOYSA-N
-rxn:4:221982:225755,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CC2)n1,NXJVQVVYVXMKGA-UHFFFAOYSA-N
-rxn:4:221982:225761,CC(C)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,RWEUIJZAZCQHEH-UHFFFAOYSA-N
-rxn:4:221982:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,BRLRYDUNLZUIJV-UHFFFAOYSA-N
-rxn:4:221982:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,RTHRYCLSKHLLBO-UHFFFAOYSA-N
-rxn:4:221982:225993,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1[N+](=O)[O-],LIYXKPXEQIKXBM-UHFFFAOYSA-N
-rxn:4:221982:226022,COc1cccc(OC(F)(F)F)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,MEIGDMTYQCEPGZ-UHFFFAOYSA-N
-rxn:4:221982:226059,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)C)cc6C(C)C)cc5)no4)C3C2=O)cc1,ORXSECSHURIUEW-UHFFFAOYSA-N
-rxn:4:221982:226102,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6CN(C)C6CC6)cc5)no4)C3C2=O)cc1,XYRUSSQPTIMGBV-UHFFFAOYSA-N
-rxn:4:221982:226115,CC(C)CC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,XGXZOTMDGZLOBW-UHFFFAOYSA-N
-rxn:4:221982:226233,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN(C)C)cc6)cc5)no4)C3C2=O)cc1,HDDOAJZCGRNULX-UHFFFAOYSA-N
-rxn:4:221982:226364,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)nc6)cc5)no4)C3C2=O)cc1,BWNUQTMFXJCSOC-UHFFFAOYSA-N
-rxn:4:221982:226427,CC1CCN(c2csc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c2)CC1,GXHXYXBRJBHMSD-UHFFFAOYSA-N
-rxn:4:221982:226546,COC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1OC,ROJXWLATEMVWDX-UHFFFAOYSA-N
-rxn:4:221982:226874,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(Cl)cccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1,YZRPJUMUSLEXEE-UHFFFAOYSA-N
-rxn:4:221982:226875,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(OC(F)F)cc6F)cc5)no4)C3C2=O)cc1,SQXBNLKKJQBJCW-UHFFFAOYSA-N
-rxn:4:221982:226880,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(F)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,UWLRXFCNDQKDLB-UHFFFAOYSA-N
-rxn:4:221985:224810,Cn1cc(-c2nc3cnc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GODBLBKHRZLSJH-OAQYLSRUSA-N
-rxn:4:222004:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CC(Cn5nc(-c6ccncc6)ccc5=O)C4)nc3)c2)CC1,BDIQZVUWYNEJRZ-UHFFFAOYSA-N
-rxn:4:222062:226008,COc1ccc(OC(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,NJSBVRFPRFBYDW-UHFFFAOYSA-N
-rxn:4:222062:227512,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)cn1,VZVGOIOIUGGDQG-UHFFFAOYSA-N
-rxn:4:222089:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,XMUIRRAIFPVPHB-UHFFFAOYSA-N
-rxn:4:222089:222589,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCC(O)CC6)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SQMWIVHBSBXOOG-UHFFFAOYSA-N
-rxn:4:222089:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,ZPPMFKQDCYGFCW-UHFFFAOYSA-N
-rxn:4:222089:222923,Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1S(=O)(=O)NC1CC1,BPWOUKWRMQSNDH-UHFFFAOYSA-N
-rxn:4:222089:223571,O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,CCLIBAZHJZRHFT-UHFFFAOYSA-N
-rxn:4:222089:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,RVRAFEMUZKWXML-UHFFFAOYSA-N
-rxn:4:222089:223597,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HSSOKSDVGXZYLX-UHFFFAOYSA-N
-rxn:4:222089:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)ccn2)CC1,NXMQMIKFRGFCKV-UHFFFAOYSA-N
-rxn:4:222089:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,RXRHTZPBBJWGAP-UHFFFAOYSA-N
-rxn:4:222089:223816,C[Si](C)(C)CCOCn1c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc2c(Cl)ccnc21,LITFQLOQYAYOJW-UHFFFAOYSA-N
-rxn:4:222089:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,NVKWJNWRWXVGEH-UHFFFAOYSA-N
-rxn:4:222089:223911,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CCOCC1,FDNAMQRFHJFBPV-UHFFFAOYSA-N
-rxn:4:222089:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,ZKUBKJZBMFZVMP-UHFFFAOYSA-N
-rxn:4:222089:224017,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCCS6(=O)=O)cc5C(F)(F)F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SSVCOUJZLKRHPJ-UHFFFAOYSA-N
-rxn:4:222089:224182,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OCCN1CCOCC1,LRKUZWNRAKRQDL-UHFFFAOYSA-N
-rxn:4:222089:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)C1,WRELHQJFEMIYAU-UHFFFAOYSA-N
-rxn:4:222089:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,HENOONDUEMZVKB-UHFFFAOYSA-N
-rxn:4:222089:224800,CC(C)Oc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OC(F)(F)F,VSBIIVISISIKGC-UHFFFAOYSA-N
-rxn:4:222089:224817,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccccc5S(=O)(=O)N5CCOCC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CSVCQPWNONJHPU-UHFFFAOYSA-N
-rxn:4:222089:225285,CC(C)Cc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1C(F)(F)F,PLEPHXQXHPGOHN-UHFFFAOYSA-N
-rxn:4:222089:225324,CC(C)CCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,AUIKCPVULACGPW-UHFFFAOYSA-N
-rxn:4:222089:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,PMTGAGCLSMUBTI-UHFFFAOYSA-N
-rxn:4:222089:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,WPRRMABAKBKZRZ-UHFFFAOYSA-N
-rxn:4:222089:225354,CCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1F,RWWNYNIESHRLMZ-UHFFFAOYSA-N
-rxn:4:222089:225377,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OC(F)F)c(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,IDUWWVCRJLKROB-UHFFFAOYSA-N
-rxn:4:222089:225379,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,FHNSEXMGQXCDEX-UHFFFAOYSA-N
-rxn:4:222102:224669,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,FWGDXBOGHFBHTQ-UHFFFAOYSA-N
-rxn:4:222108:224689,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,WDAZLQZFRAHKTF-UHFFFAOYSA-N
-rxn:4:222137:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cn1,KILCJLYWPNCUAE-UHFFFAOYSA-N
-rxn:4:222153:222624,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cn3)CC2)n1,GKHZPIJKOSNGOU-UHFFFAOYSA-N
-rxn:4:222161:223532,Cn1nc(C2CCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n(C2CC2)c1=O,SMIUSJHWIVZEMP-UHFFFAOYSA-N
-rxn:4:222185:223694,CCN1CCN(S(=O)(=O)c2cc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)cc2C)CC1,JEOAGRGVCGBYSN-UHFFFAOYSA-N
-rxn:4:222189:224256,Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)N6CCCCC6C)c5)o4)CC3)nn12,IKFXKUDWXLGCLE-UHFFFAOYSA-N
-rxn:4:222193:223971,CC1CCN(c2cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)cc(C(F)(F)F)c2)CC1,DFUQOWHDQKSEPN-UHFFFAOYSA-N
-rxn:4:222320:223480,Cc1cc(-c2cnc(N3CCN(c4nccc(N(C)C)n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FZRJHONOKUGJJE-UHFFFAOYSA-N
-rxn:4:222328:224485,Cc1cc(N2CCN(c3ncc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cn3)CC2)nc(N(C)C)n1,RNKURALULWLRDQ-UHFFFAOYSA-N
-rxn:4:222329:222783,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)ccc1Cl,YVFJIRCIZHOXNT-UHFFFAOYSA-N
-rxn:4:222331:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(F)cc(F)c2s1,DBENCCNOZGJHDM-UHFFFAOYSA-N
-rxn:4:222332:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c(F)cc(F)c2s1,DWKWKAUXIJAAKX-UHFFFAOYSA-N
-rxn:4:222335:225210,Cc1cc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)nc4C)cn3)CC2)nc(N2CCCC2)n1,UGYWJIAHEYZPID-UHFFFAOYSA-N
-rxn:4:222336:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cn4)CC3)n2)n1,OTSMVPMBOYHAQB-UHFFFAOYSA-N
-rxn:4:222360:222633,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cn4)CC3)ncnc21,RLZBSARYCVTYBU-UHFFFAOYSA-N
-rxn:4:222380:224101,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(OCCN7CCC(C)CC7)c6)cn5)CC4C3)ncnc21,VLLITZMIWUJYEG-UHFFFAOYSA-N
-rxn:4:222387:223786,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2Cl)CC1,CNPOKIWAJDVJKS-UHFFFAOYSA-N
-rxn:4:222442:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UZFNAZYCDLVBNU-UHFFFAOYSA-N
-rxn:4:222460:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)Nc5ccc(F)c(OC)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MSPZIIVAASBUBD-UHFFFAOYSA-N
-rxn:4:222513:194275,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc2c(cc1C=C[N+](=O)[O-])OCCO2,IVYBSJHYSAXZAD-UHFFFAOYSA-N
-rxn:4:222611:205970,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CC(C(F)(F)F)C2)c(F)c1,DKCHZAWZBPMLLY-UHFFFAOYSA-N
-rxn:4:222630:178330,COC(=O)C1(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC2(C1)OCCO2,NIPKZJWOZGRKLH-UHFFFAOYSA-N
-rxn:4:222682:204068,COc1cccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1NC(=O)OC(C)(C)C,ZCVLHIYFFFTMIJ-UHFFFAOYSA-N
-rxn:4:222720:215904,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,GMVCRQYECCMLKG-UHFFFAOYSA-N
-rxn:4:222723:174516,CC(C)[Si](Oc1ccccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1)(C(C)C)C(C)C,QYQNMQZMMWSTCN-UHFFFAOYSA-N
-rxn:4:222741:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)cc1,QLJXDEQKTAVKLU-UHFFFAOYSA-N
-rxn:4:222821:194696,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)ccc1F,JHTOKQFQSQAFGC-UHFFFAOYSA-N
-rxn:4:222841:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LNALZBRFIIQMHI-UHFFFAOYSA-N
-rxn:4:222852:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN5CCC(O)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GMJOSZCRTWPBIS-UHFFFAOYSA-N
-rxn:4:222853:187276,O=S(=O)(c1cc(-c2ccc(CN3CCC(O)CC3)cc2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,GXZZNXQHHLHMDG-UHFFFAOYSA-N
-rxn:4:222943:219902,CC(C)N1CCN(c2c(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cncc2[N+](=O)[O-])CC1,XILYGMQUACARNL-UHFFFAOYSA-N
-rxn:4:222962:218710,CCCCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,NXWPQUTXMRDNPH-UHFFFAOYSA-N
-rxn:4:223042:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC(C)C)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PAKMIDPBJONVHL-UHFFFAOYSA-N
-rxn:4:223072:187879,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)cc1,ZFNUKTCVYHLCHI-UHFFFAOYSA-N
-rxn:4:223080:213947,CC(C)NS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,IAKMYVRINXZBJA-UHFFFAOYSA-N
-rxn:4:223080:213994,CC(C)NS(=O)(=O)c1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1,CYJJBTKXTXOBFI-GOSISDBHSA-N
-rxn:4:223093:185244,CC(C)CN(C(=O)c1cccc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1)C1CCS(=O)(=O)C1,XGTUTUJSJMHZHV-UHFFFAOYSA-N
-rxn:4:223102:178381,CC(C)(C)NS(=O)(=O)c1sccc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,YAOWBMWUTNVMRH-UHFFFAOYSA-N
-rxn:4:223531:187276,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)cc2Cl)CC1,RCNSHFDSCOQEGD-UHFFFAOYSA-N
-rxn:4:223541:188681,NS(=O)(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC(F)(F)F,XXWFKDPWBBLBHM-UHFFFAOYSA-N
-rxn:4:223570:197021,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4C(=O)CC(C)(C)C4=O)c3)c(F)ncc21,PPJXDUAVCJOSDY-UHFFFAOYSA-N
-rxn:4:223651:194439,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)CCN2C(=O)C(C)C,MPZXPIWPEJVNES-UHFFFAOYSA-N
-rxn:4:223771:194696,COc1ccc2c(c1)cc(-c1ccc3c(c1)CCCC3=NS(=O)C(C)(C)C)n2C(=O)OC(C)(C)C,OZWKUDHXRLUHKN-UHFFFAOYSA-N
-rxn:4:223970:207795,Cc1ccc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1S(=O)(=O)N1CCC(C)CC1,HGZYCOJKUXMAHI-UHFFFAOYSA-N
-rxn:4:223980:197057,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(N4CCC(F)(F)CC4)c3)c2)CC1,IRBISKKHMLIOBC-UHFFFAOYSA-N
-rxn:4:223980:205970,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CC(C(F)(F)F)C4)c(F)c3)c2)CC1,GWOTTZJOMHQIRX-UHFFFAOYSA-N
-rxn:4:223980:209880,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(F)(F)CC4)nc3C)c2)CC1,UYZIQDYVAYINNI-UHFFFAOYSA-N
-rxn:5:176860:225849:225976,COC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,QAINNARNSWQCHT-UHFFFAOYSA-N
-rxn:5:177180:225636:223065,CCOC(=O)c1c(C)cc(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(N2CCNCC2)cc1F,BQKIWDCYHUVQHN-UHFFFAOYSA-N
-rxn:5:177183:226662:223061,CCOC(=O)c1cc(C)c(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,BVEUCGXDNXQKEC-UHFFFAOYSA-N
-rxn:5:177185:225980:222980,CC(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccc(CN2CCNCC2)cc1,LPPIALNDNXPHNI-UHFFFAOYSA-N
-rxn:5:177187:222989:223065,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCNCC3)cc2C)c1-c1ccc(N2CCNCC2)cc1F,YJMHOVUVHYGJII-UHFFFAOYSA-N
-rxn:5:177190:223131:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCNCC3)cc2)c1,MCDSKSRGJRSKEM-UHFFFAOYSA-N
-rxn:5:177190:225623:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccc(OC3CCOCC3)c2)c1,BGQAGOGGAXBFRO-UHFFFAOYSA-N
-rxn:5:177190:225987:225976,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCCS3(=O)=O)cc2)c1,WNUSTTFYYZMZHC-UHFFFAOYSA-N
-rxn:5:177190:226572:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(OC3CCCC3)nc2)c1,LMDRPOMQCFIYGV-UHFFFAOYSA-N
-rxn:5:177190:226649:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccnc2N2CCOCC2)c1,WBLNWSRNIXEOHK-UHFFFAOYSA-N
-rxn:5:177190:226729:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(OC3CCOC3)nc2)c1,OVVYVUJVOLNQMS-UHFFFAOYSA-N
-rxn:5:177191:225440:223007,N#CC1(c2ccc(-c3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc3CC(=O)C3CC3)cc2)CCCC1,UFQQPYAQJSLHHZ-UHFFFAOYSA-N
-rxn:5:177191:225805:223065,CC(c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2CC(=O)C2CC2)s1)N1CCOCC1,AXESBKBQXFENHN-UHFFFAOYSA-N
-rxn:5:177192:222987:225804,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2ccc(C3CCNCC3)nc2C)c1C,UGRMLDJUCQDAII-UHFFFAOYSA-N
-rxn:5:177373:225931:223139,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2OCC2OCCO2)cc(S(=O)(=O)N(C)C)c1,QXPWEGHVSUKGDX-UHFFFAOYSA-N
-rxn:5:177373:227804:225833,O=[N+]([O-])c1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SRFUDZJGNLWQNJ-UHFFFAOYSA-N
-rxn:5:177730:223018:226085,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc1-c1ccc2c(c1)CCC(C)(C)O2,KSMGJQHJBUROTO-UHFFFAOYSA-N
-rxn:5:177730:223131:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2)ccc1-c1ccc(N2CCNCC2)cc1F,PCKUHOHNHVSWIX-UHFFFAOYSA-N
-rxn:5:177732:223054:227379,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCCC2)s1)N1CCC(O)C1,GCUYNDKVBGLYKB-UHFFFAOYSA-N
-rxn:5:177732:223062:225439,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(C3CCNCC3)cc2F)c1)N1CCCC1,KHNZCWYNOJILEX-UHFFFAOYSA-N
-rxn:5:177732:225438:223135,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2C2CCCNC2)cc1)N1CCCC1,LXSPKPZGTZJCCB-UHFFFAOYSA-N
-rxn:5:177733:223018:226579,CN(C)C(=O)c1cc(F)cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c1,DESUVUCBSOAIFT-UHFFFAOYSA-N
-rxn:5:177736:223018:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,JOZMMGCXJLQKSF-UHFFFAOYSA-N
-rxn:5:177736:226144:225514,CC(C)(C)OC(=O)c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C#C[Si](C)(C)C)cc2)c1,FJHQGRIBGXGQMO-UHFFFAOYSA-N
-rxn:5:177737:225980:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cc(N2CCOCC2)ncc1F,QLMAQIPJAJQOBD-UHFFFAOYSA-N
-rxn:5:177739:223062:225784,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(CN2CCOCC2)nc1,CAUWEXDFCUIAEO-UHFFFAOYSA-N
-rxn:5:177739:223065:225438,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(N3CCNCC3)cc2F)cc1)N1CCCC1,DLIAQQJQAYZFKC-UHFFFAOYSA-N
-rxn:5:177739:223294:225982,CC(C)(C)OC(=O)c1cccc(-c2csc(N3CCNCC3)n2)c1-c1cnc(N2CCOCC2)cc1F,DBWBODCCVVTCRE-UHFFFAOYSA-N
-rxn:5:177851:225982:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cnc(N2CCOCC2)cc1F,VZYUVZFUKKTVAK-UHFFFAOYSA-N
-rxn:5:177891:225799:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cncc(OC2CCOCC2)c1,SMCSICGERUKOIJ-UHFFFAOYSA-N
-rxn:5:177891:225943:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,AJMRTOVXWALIDZ-UHFFFAOYSA-N
-rxn:5:177891:226586:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(OC2CCOC2)c1,HSSXNXPPGUOOJZ-UHFFFAOYSA-N
-rxn:5:177891:226649:225639,CC1CCN(c2ncccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)CC1,VNMHKAXKOKGDJG-UHFFFAOYSA-N
-rxn:5:177891:227437:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCCO2)c1,YYOZAXYOHQSTSF-UHFFFAOYSA-N
-rxn:5:177891:227491:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1cnc(OC2CCC2)nc1,XUONWHIDKGPTHT-UHFFFAOYSA-N
-rxn:5:177891:227654:228211,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCC2)cs1)c1ccccc1-c1ccc(C2OCCO2)nc1,IWCADMMHDNRLDP-UHFFFAOYSA-N
-rxn:5:177891:227657:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,NHTHWAHZDRWMJQ-UHFFFAOYSA-N
-rxn:5:177891:228628:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cc(C2CCC2)cs1,LNQKXTZMUHTWFH-UHFFFAOYSA-N
-rxn:5:177891:228631:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccsc1C1CCC1,MHJZOVFHJNQBMX-UHFFFAOYSA-N
-rxn:5:178118:225499:227361,COc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(OCC3CCCCO3)c2)c(OC)cc1C,UQZNQEUWARVTKP-UHFFFAOYSA-N
-rxn:5:178225:222988:227506,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2cccc(/C=C/[N+](=O)[O-])c2)cc(C2CCNCC2)n1,RVBODEZYHXJHRZ-OBGWFSINSA-N
-rxn:5:178226:222998:227804,O=[N+]([O-])c1cc(-c2cccc(OCC3CCCCC3)c2-c2cc(F)cc(C3CCCNC3)c2)c([N+](=O)[O-])s1,OGLYKBRQEQMRRJ-UHFFFAOYSA-N
-rxn:5:178226:226778:227119,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCCCC3)cs2)c(F)c(F)c1OC,CLIBBGBDEAIQQF-UHFFFAOYSA-N
-rxn:5:178295:223008:228750,COC(=O)C1(c2cc(-c3cncc(C(C)=O)c3)ccc2-c2cc(C3CCNCC3)ccc2F)CCC(=O)CC1,MIUFCDMNWDJGAO-UHFFFAOYSA-N
-rxn:5:178295:223230:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,UDMRVOZRWXPJGP-UHFFFAOYSA-N
-rxn:5:178295:223230:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2ccc(NC(C)=O)cc2C)CCC(=O)CC1,ULJQYQDDMCRKST-UHFFFAOYSA-N
-rxn:5:178295:223270:227306,COC(=O)C1(c2cc(-c3ccc(OC(C)C)nc3C)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,SGDUEVNOOLNDNJ-UHFFFAOYSA-N
-rxn:5:178295:223284:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,DHKDBPMGTAIMSL-UHFFFAOYSA-N
-rxn:5:178295:223285:228713,COC(=O)C1(c2cc(-c3ccn(C(C)(C)C)n3)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,PQNDYYRUDZWGKO-UHFFFAOYSA-N
-rxn:5:178295:223286:227815,CCC(C)c1ccccc1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NBYORMJJXPSROA-UHFFFAOYSA-N
-rxn:5:178295:225394:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,GDVWKLUNGLIVJQ-UHFFFAOYSA-N
-rxn:5:178295:225591:227935,CCc1cc(-c2ccc(-c3cc(CN4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,YEPWKUKUMFQLNX-UHFFFAOYSA-N
-rxn:5:178295:225886:225601,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,LWRMKHJXCYNZLY-UHFFFAOYSA-N
-rxn:5:178295:225886:227451,COC(=O)C1(c2cc(-c3ccc(C4CC4(F)F)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,BWUWSPHXUNRMED-UHFFFAOYSA-N
-rxn:5:178295:226059:225515,COC(=O)C1(c2cc(-c3cccc4c3OCC(C)(C)CO4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,HBURSKQXMDAGSF-UHFFFAOYSA-N
-rxn:5:178295:226059:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,LZXIXCMSQHRILC-UHFFFAOYSA-N
-rxn:5:178295:226069:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MGIQJCPOLWHZIQ-UHFFFAOYSA-N
-rxn:5:178295:226079:225515,COC(=O)C1(c2cc(-c3cccc4c3OCC(C)(C)CO4)ccc2-c2cc3cc(C(C)C)ccc3s2)CCC(=O)CC1,ICKYCYSJLMRAED-UHFFFAOYSA-N
-rxn:5:178295:226079:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2cc3cc(C(C)C)ccc3s2)CCC(=O)CC1,PZCMZWMFTDONSL-UHFFFAOYSA-N
-rxn:5:178295:226085:227061,COC(=O)C1(c2cc(-c3cc(OC(C)C)ccc3C)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,HNHVJECYOZQIDW-UHFFFAOYSA-N
-rxn:5:178295:226140:228186,COC(=O)C1(c2cc(-c3cccc(SC)c3OC)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,GMBBXLIPKRWXSM-UHFFFAOYSA-N
-rxn:5:178295:226140:228261,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,KLGFALXDQZLYKC-UHFFFAOYSA-N
-rxn:5:178295:226140:228592,COC(=O)C1(c2cc(-c3cncc(C(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,RJSRSTCBTDZQSA-UHFFFAOYSA-N
-rxn:5:178295:226144:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,PGZUBYVSIVROIG-UHFFFAOYSA-N
-rxn:5:178295:226144:227817,COC(=O)C1(c2cc(-c3ccccc3CC(C)C)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,CTJRIPBCPVZBRZ-UHFFFAOYSA-N
-rxn:5:178295:226144:228557,COCc1cccc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VRXZFUZIMCOJCU-UHFFFAOYSA-N
-rxn:5:178295:226144:228802,COC(=O)C1(c2cc(-c3ccccc3C(F)F)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)CCC(=O)CC1,KAJBBOYGKBEASM-UHFFFAOYSA-N
-rxn:5:178295:226153:228811,COC(=O)C1(c2cc(-c3cc(SC)ccc3F)ccc2-c2cc(C3CC3)c(OC)cc2C)CCC(=O)CC1,BJSKAGJXVXLSHR-UHFFFAOYSA-N
-rxn:5:178295:226202:226059,CCc1nn(C)c2cc(-c3ccc(-c4ccc(C(C)C)cc4C(C)C)cc3C3(C(=O)OC)CCC(=O)CC3)ccc12,OIXWIMLUFHPPDY-UHFFFAOYSA-N
-rxn:5:178295:226211:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,QZEBUBLVHMXABL-UHFFFAOYSA-N
-rxn:5:178295:226322:228779,COC(=O)C1(c2cc(-c3cc(F)ccc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,AEUBFKGEGDDKKV-UHFFFAOYSA-N
-rxn:5:178295:226325:228150,COC(=O)c1ccc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,PBYJFUJKEQJNIZ-UHFFFAOYSA-N
-rxn:5:178295:226457:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCOC4)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,MSHHCHLCFHPCJF-UHFFFAOYSA-N
-rxn:5:178295:226465:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)n(C)c(=O)n3C)CCC(=O)CC1,RLQDBYIPCDTKSF-UHFFFAOYSA-N
-rxn:5:178295:226579:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OUSLGTXUKLIJBZ-UHFFFAOYSA-N
-rxn:5:178295:226579:228142,CCCc1cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,UPVFMHLMDZXVHU-UHFFFAOYSA-N
-rxn:5:178295:226580:228763,CCc1c(F)cncc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,FZNPRXWZVLUSRV-UHFFFAOYSA-N
-rxn:5:178295:226589:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ACYPUSVCJZVJKK-UHFFFAOYSA-N
-rxn:5:178295:226911:226582,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,CRYHOQUHQRHHIV-UHFFFAOYSA-N
-rxn:5:178295:226911:228400,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(F)c(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,GQLKXQCIHKPNEM-UHFFFAOYSA-N
-rxn:5:178295:226912:223012,COC(=O)c1cc2cc(-c3ccc(-c4cc(C)cc(CC(C)C)c4)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2[nH]1,OWNIKNPYHCXMHU-UHFFFAOYSA-N
-rxn:5:178295:226912:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CTBGJMZFPFNQIA-UHFFFAOYSA-N
-rxn:5:178295:226913:226926,CCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,NTHUMYPNGJHSPU-UHFFFAOYSA-N
-rxn:5:178295:226913:227863,CCc1cc(-c2ccc(-c3ccc4c(c3)CCCO4)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,VTSRODZGDNWMED-UHFFFAOYSA-N
-rxn:5:178295:226914:227919,CCOc1cc(C)cc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ASFGXUQDQMMIIE-UHFFFAOYSA-N
-rxn:5:178295:226919:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(C3CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PCZZNSMHBGAQHO-UHFFFAOYSA-N
-rxn:5:178295:226920:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,CARJDZZXBUEMGS-UHFFFAOYSA-N
-rxn:5:178295:226926:228006,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3C)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,PLJNULMFAPKKTB-UHFFFAOYSA-N
-rxn:5:178295:226926:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,OCRMHHATFZIIEH-UHFFFAOYSA-N
-rxn:5:178295:226959:227529,COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,JJEMABVUFMEACZ-UHFFFAOYSA-N
-rxn:5:178295:226966:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,LBDGTPASUASSRF-UHFFFAOYSA-N
-rxn:5:178295:226973:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c(C2(C(=O)OC)CCC(=O)CC2)c1,OHLSSKQKWGEVEM-UHFFFAOYSA-N
-rxn:5:178295:226973:228344,COC(=O)C1(c2cc(-c3ccc(SC(F)F)cc3)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,IDRGMINFQGIYPC-UHFFFAOYSA-N
-rxn:5:178295:227039:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2ccc(OC(C)(C)C)cc2)CCC(=O)CC1,VNDROYRYRNPWKQ-UHFFFAOYSA-N
-rxn:5:178295:227051:228178,CCC(=O)c1ccc(-c2ccc(-c3cc(COC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ZQOXGZBQHBOTSF-UHFFFAOYSA-N
-rxn:5:178295:227052:227522,COC(=O)c1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,CUUOIZULZFBIAW-UHFFFAOYSA-N
-rxn:5:178295:227059:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(OC)c(C(C)C)c2)CCC(=O)CC1,RTJMTYFIMPKYAI-UHFFFAOYSA-N
-rxn:5:178295:227065:223357,COC(=O)C1(c2cc(-c3ccccc3NC(C)=O)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,SWMAXIKIVREVBG-UHFFFAOYSA-N
-rxn:5:178295:227065:228222,COC(=O)C1(c2cc(-c3cc(F)nc(C(C)C)c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,VNRKQJDTZYFXCS-UHFFFAOYSA-N
-rxn:5:178295:227067:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2ccc(OC)cc2C2CC2)CCC(=O)CC1,RYWKDAVRWRKKSS-UHFFFAOYSA-N
-rxn:5:178295:227071:227051,CCC(=O)c1ccc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,XZSWLDMEMKVDPU-UHFFFAOYSA-N
-rxn:5:178295:227071:227904,CCN(C)c1ccc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,WLFFNLJLQZVTPK-UHFFFAOYSA-N
-rxn:5:178295:227076:228348,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SEMPXNAIJOSMCL-UHFFFAOYSA-N
-rxn:5:178295:227077:227124,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,BSMMBQYVLMNPKN-UHFFFAOYSA-N
-rxn:5:178295:227077:228276,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KKIDQUOCTILJCR-UHFFFAOYSA-N
-rxn:5:178295:227102:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,LPMPNIBGYMZBIB-UHFFFAOYSA-N
-rxn:5:178295:227102:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,QAQNSFODEDSKBN-UHFFFAOYSA-N
-rxn:5:178295:227115:228178,COCc1ccc(F)c(-c2ccc(-c3cc(C)c(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YVIRRISNAGTTGY-UHFFFAOYSA-N
-rxn:5:178295:227120:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc(C3CCC3)cc2F)CCC(=O)CC1,VGLFPCHUQIXHBT-UHFFFAOYSA-N
-rxn:5:178295:227286:227995,COC(=O)C1(c2cc(-c3cc(C)cc(C)c3OC)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,MVNUUDFKWKITEB-UHFFFAOYSA-N
-rxn:5:178295:227290:227831,CCc1c(C)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,VRHOTHGMUTYOFQ-UHFFFAOYSA-N
-rxn:5:178295:227298:228567,CCC(C)c1sccc1-c1ccc(-c2cc(F)ccc2CN(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DWCSNSSIBMBLML-UHFFFAOYSA-N
-rxn:5:178295:227299:227313,CCC(C)c1cc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,SPBXEHSTYQUONX-UHFFFAOYSA-N
-rxn:5:178295:227299:227810,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,QLXRJHRAKIZZQY-UHFFFAOYSA-N
-rxn:5:178295:227309:227298,CCC(C)c1cc(-c2ccc(-c3cc(F)ccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,RVTCXDSEKYZKKT-UHFFFAOYSA-N
-rxn:5:178295:227309:227925,CCC(C)c1cc(-c2ccc(-c3cccc(OC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,BPYUGYYSCYVJOU-UHFFFAOYSA-N
-rxn:5:178295:227309:228562,CCC(C)c1csc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IZHOUDIIQUJROR-UHFFFAOYSA-N
-rxn:5:178295:227311:227102,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,NONYWAXJFJGBDX-UHFFFAOYSA-N
-rxn:5:178295:227312:228206,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,LQCKIGMUVGLPGG-UHFFFAOYSA-N
-rxn:5:178295:227336:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(F)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UCPHXDBGPAMGPE-UHFFFAOYSA-N
-rxn:5:178295:227351:227922,CCc1cc(OC)ccc1-c1ccc(-c2cccc(C)c2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,KTMBOSSTHWDQDW-UHFFFAOYSA-N
-rxn:5:178295:227352:228141,CCCc1cc(F)c(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,OGXKEYQUNWUNFE-UHFFFAOYSA-N
-rxn:5:178295:227415:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,SAOSMWFGOYDGBT-UHFFFAOYSA-N
-rxn:5:178295:227415:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,YGSKAODUQOPOOJ-UHFFFAOYSA-N
-rxn:5:178295:227542:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(F)cc2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,BRRALXUAIKQLET-UHFFFAOYSA-N
-rxn:5:178295:227544:228142,CCCc1cc(-c2ccc(-c3cc(F)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,KVVZXNKGECISQV-UHFFFAOYSA-N
-rxn:5:178295:227568:228344,COC(=O)C1(c2cc(-c3ccc(SC(F)F)cc3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,YCICIHPALRQOLL-UHFFFAOYSA-N
-rxn:5:178295:227568:228430,COC(=O)C1(c2cc(-c3c(F)cc(SC)cc3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,OKBVMUJSPVIRKL-UHFFFAOYSA-N
-rxn:5:178295:227589:228106,CCC(C)c1ncc(-c2ccc(-c3cc(C)cc(OC(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZRNAFLDZDIVSMX-UHFFFAOYSA-N
-rxn:5:178295:227591:227987,COC(=O)C1(c2cc(-c3ccc(C)c(OC)c3C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,KFCYCZYZOPNTHA-UHFFFAOYSA-N
-rxn:5:178295:227591:228631,COC(=O)C1(c2cc(-c3ccsc3C3CCC3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,SHNVXTCEHFLSAE-UHFFFAOYSA-N
-rxn:5:178295:227704:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(F)F)ncc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,KCLAEDCFVFQXMX-UHFFFAOYSA-N
-rxn:5:178295:227704:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,RFCRUCAGAWZLDX-UHFFFAOYSA-N
-rxn:5:178295:227810:227560,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WKKZMFXQYAXBBJ-UHFFFAOYSA-N
-rxn:5:178295:227815:226085,CCC(C)c1ccccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,SKBRDCDWNLWHBN-UHFFFAOYSA-N
-rxn:5:178295:227815:227353,CCC(C)c1ccccc1-c1ccc(-c2c(C)cc(OC)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,VMHMQQGGMBPDCI-UHFFFAOYSA-N
-rxn:5:178295:227818:226432,CCC(C)c1cccc(-c2ccc(-c3ccc(C4CCCC4)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DLINNIHZJSGWKL-UHFFFAOYSA-N
-rxn:5:178295:227818:226973,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZLHPZFPTZYPQHS-UHFFFAOYSA-N
-rxn:5:178295:227821:227542,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(F)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,KYSIAPAZIVAGKP-UHFFFAOYSA-N
-rxn:5:178295:228016:227941,COCc1cc(C)cc(-c2ccc(-c3cc(C4CCCC4)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ITBBWSUGUQUUFC-UHFFFAOYSA-N
-rxn:5:178295:228071:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cccc3c2OCCO3)CCC(=O)CC1,ZUVWXKIBGKNYSW-UHFFFAOYSA-N
-rxn:5:178295:228119:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,QAFPFEAFEUEYDF-UHFFFAOYSA-N
-rxn:5:178295:228142:227288,CCCc1cc(-c2ccc(-c3ccccc3C(=O)N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AWAJRLPLQYTPGE-UHFFFAOYSA-N
-rxn:5:178295:228177:227077,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3COC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,IMJFPYIXOYGVRV-UHFFFAOYSA-N
-rxn:5:178295:228177:227521,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)cnc2C)cc1C1(C(=O)OC)CCC(=O)CC1,SWUCQOSGMJMCTR-UHFFFAOYSA-N
-rxn:5:178295:228177:227554,COCc1ccc(F)cc1-c1ccc(-c2cccc(F)c2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,OJOGKSPBPHMLJA-UHFFFAOYSA-N
-rxn:5:178295:228178:227068,COCc1ccc(F)c(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MCXXLCFGDWVPRL-UHFFFAOYSA-N
-rxn:5:178295:228179:225499,COCc1cc(F)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SKZATSWWSXNBER-UHFFFAOYSA-N
-rxn:5:178295:228179:226603,COCc1cc(F)cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YHMNFTYURWGHDH-UHFFFAOYSA-N
-rxn:5:178295:228181:226912,COCc1cc(F)ccc1-c1ccc(-c2cc(C)cc(CC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,CMTFTGIEGIUKMB-UHFFFAOYSA-N
-rxn:5:178295:228239:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C)c(OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XIBDCVAVPCBGEF-UHFFFAOYSA-N
-rxn:5:178295:228275:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,FOJYXLOOTGGDBX-UHFFFAOYSA-N
-rxn:5:178295:228346:227942,CCc1ccc(-c2ccc(-c3cc(C(=O)OC)sc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,LKLSRDCWKIBDLZ-UHFFFAOYSA-N
-rxn:5:178295:228408:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)c(OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KXLUNGXUYRPPHE-UHFFFAOYSA-N
-rxn:5:178295:228415:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cc(F)ccc2C(F)F)CCC(=O)CC1,NAJFNCQJJQGVEG-UHFFFAOYSA-N
-rxn:5:178295:228416:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2c(F)cc(F)cc2OC)CCC(=O)CC1,CNDBRZDXIUSMNE-UHFFFAOYSA-N
-rxn:5:178295:228428:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cc(OC)cc(F)c2F)CCC(=O)CC1,PEVFVAKCLGMFRT-UHFFFAOYSA-N
-rxn:5:178295:228437:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,AOROGTRNPYHSQU-UHFFFAOYSA-N
-rxn:5:178295:228508:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2cccc(C(C)C)c2)CCC(=O)CC1,CQFJVIONZXBDAA-UHFFFAOYSA-N
-rxn:5:178295:228515:226059,CCc1cccc(C)c1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,RJVVAZOCIMMEGK-UHFFFAOYSA-N
-rxn:5:178295:228517:226151,CC#Cc1ccccc1-c1ccc(-c2cc(C)c(C)cc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JXKJPPPEAQRZDW-UHFFFAOYSA-N
-rxn:5:178295:228517:226181,CC#Cc1ccccc1-c1ccc(-c2ccc(C3=CCCCC3)nc2)cc1C1(C(=O)OC)CCC(=O)CC1,QMGSLHXVXFCLFZ-UHFFFAOYSA-N
-rxn:5:178295:228518:226783,CC#Cc1ccc(-c2ccc(-c3c(OC)cc(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,MOYHYRDKBDLJLK-UHFFFAOYSA-N
-rxn:5:178295:228540:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cccc3c2COC3)CCC(=O)CC1,CGYVOHNWKHGPFT-UHFFFAOYSA-N
-rxn:5:178295:228562:223286,CCC(C)c1csc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GYBOHSVLVWGNTB-UHFFFAOYSA-N
-rxn:5:178295:228562:227075,CCC(C)c1csc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HCKATYYTFVZLFH-UHFFFAOYSA-N
-rxn:5:178295:228564:227530,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,FQZKWHJXJAHDQJ-UHFFFAOYSA-N
-rxn:5:178295:228582:226345,COC(=O)c1cc(-c2ccc(-c3cnccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)cc1C,VLFPBQKXZBVRTJ-UHFFFAOYSA-N
-rxn:5:178295:228586:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cccnc2C(C)C)CCC(=O)CC1,UJGZIHNMNSQVRR-UHFFFAOYSA-N
-rxn:5:178295:228589:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(C(C)C)nc2)CCC(=O)CC1,WRJLLAKECNVRHF-UHFFFAOYSA-N
-rxn:5:178295:228611:226772,COC(=O)c1cc(F)c(-c2ccc(-c3cc(OC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ANMICRVDSOAXIN-UHFFFAOYSA-N
-rxn:5:178295:228630:226772,CCc1cc(F)cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JVJDCIKLQZGZQK-UHFFFAOYSA-N
-rxn:5:178295:228796:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cc(OC)ccc2F)CCC(=O)CC1,KEVJNUASCIGOBQ-UHFFFAOYSA-N
-rxn:5:178295:228991:226576,CCCc1sccc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,DFQAXFIMIHMLFA-UHFFFAOYSA-N
-rxn:5:178295:229015:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccsc2C(C)C)CCC(=O)CC1,JTHYXYOFVWNBTP-UHFFFAOYSA-N
-rxn:5:178315:228126:225943,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(=O)N4CCOCC4)s3)c2)c(C#N)c1,FNTYGARDFNPGBF-UHFFFAOYSA-N
-rxn:5:178353:223065:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,MZWCTDNGJSDUQT-UHFFFAOYSA-N
-rxn:5:178353:223131:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,GLKOKHLLVIWUTC-UHFFFAOYSA-N
-rxn:5:178353:225639:226440,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccnc3N3CCC(C)CC3)cc2C)ccc1-c1cc(F)nc(C2CCCC2)c1,ZRIJJRIVBKJPOQ-UHFFFAOYSA-N
-rxn:5:178466:223061:225976,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,KFOZTVPBTCDQBS-UHFFFAOYSA-N
-rxn:5:178466:225982:225834,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,GHCAKVOLGQMTMO-UHFFFAOYSA-N
-rxn:5:178467:222986:228138,CCOC(=O)C1=Cc2cc(-c3ccc(CC#N)c(F)c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,CMZDABFEXMXONS-UHFFFAOYSA-N
-rxn:5:178467:223056:226085,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CCC(C)(C)O4)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,CWYURCOLRUNFAB-UHFFFAOYSA-N
-rxn:5:178467:223061:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,KWYTVOMCIWBGJB-UHFFFAOYSA-N
-rxn:5:178467:223064:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,BEHNHZLTZMNFNV-UHFFFAOYSA-N
-rxn:5:178467:223138:225601,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CCC4)cc3F)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,PVYIVUGRVOHJSQ-UHFFFAOYSA-N
-rxn:5:178467:223199:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cccc(C4CCNC4)c3)c2OC1,IMQKPTGLBKDFCQ-UHFFFAOYSA-N
-rxn:5:178467:225499:227349,CCOC(=O)C1=Cc2cc(-c3cc(C)cc(OC)c3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,LXNVUNITBADIFY-UHFFFAOYSA-N
-rxn:5:178467:225808:222417,CCOC(=O)C1=Cc2cc(-c3cnc(=O)[nH]c3C(C)C)cc(-c3cc(OC4CCCC4)ncc3F)c2OC1,JFAPBSXKYLONGU-UHFFFAOYSA-N
-rxn:5:178467:225849:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,SALFWGHUPHLGQT-UHFFFAOYSA-N
-rxn:5:178467:225978:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,KSNPTVMEAZJLPH-UHFFFAOYSA-N
-rxn:5:178467:227278:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,YAVFATNSOOLQLN-UHFFFAOYSA-N
-rxn:5:178467:227498:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cnc(N(C)C)cc3OC)c2OC1,RKFQPJUCJJQTLU-UHFFFAOYSA-N
-rxn:5:178467:227507:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,WPAXASIIYAFZRN-UHFFFAOYSA-N
-rxn:5:178467:227703:222980,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,QYPQSTIROVHSIG-UHFFFAOYSA-N
-rxn:5:178467:227768:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccn3S(=O)(=O)N(C)C)c2OC1,LUQRGNAGQOCHBV-UHFFFAOYSA-N
-rxn:5:178467:227979:225499,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3c(C)cc(C)cc3OC)c2OC1,QGNNLBCPHOSVPX-UHFFFAOYSA-N
-rxn:5:178467:228097:225978,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,SDNQPNKHRRUPBI-UHFFFAOYSA-N
-rxn:5:178467:228245:222988,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(C(C)=O)c(F)c3)c2OC1,JWEPQMXQKYXIRU-UHFFFAOYSA-N
-rxn:5:178467:228321:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,DQBHEMPOYHKAJV-UHFFFAOYSA-N
-rxn:5:178568:226437:225451,Fc1cnc(C2CCCC2)cc1-c1cc(Cc2ccc(C3CC3)cc2)c(-c2ccc(SC3CCCCC3)cc2)c2c1CCO2,XOHKAMZGMLQREI-UHFFFAOYSA-N
-rxn:5:179418:222959:225805,Cc1cc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)ccc1C1CCNCC1,GIRBKNDQQZWDNW-UHFFFAOYSA-N
-rxn:5:180021:225985:227657,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(N2CCOCC2)s1,PSNKBBGRACYSHY-UHFFFAOYSA-N
-rxn:5:180021:226427:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(N2CCC(C)CC2)cs1,XOTNRNFSGNGERQ-UHFFFAOYSA-N
-rxn:5:180021:226428:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2C)cs1,WPFIWYSBXHDYBM-UHFFFAOYSA-N
-rxn:5:180022:222959:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCNCC3)c(C)c2)c1C1OCCO1,BXCNMURYOWXBSE-UHFFFAOYSA-N
-rxn:5:180022:227610:225674,COc1c(-c2cnc(C3CCCCC3)cc2F)ccc(-c2ccn(C3CCCCO3)n2)c1C1OCCO1,MVIBNEFVFMYFRL-UHFFFAOYSA-N
-rxn:5:180096:225794:226426,CC1CCN(c2ccc(-c3cc(-c4cnc(OC5CCCCC5)nc4)ccc3OC3CCCC3)s2)CC1,PYCXYTGOZFSLRT-UHFFFAOYSA-N
-rxn:5:180267:225939:222404,CSc1cc(C(C)(C)C)cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)c1-c1ccc(C2NC(=O)NC2=O)cc1,XGDNWBHLBVFRBU-UHFFFAOYSA-N
-rxn:5:180297:225672:227505,COc1cc(-c2cc(F)nc(C3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1,AXZOZOKQNHTQCN-OUKQBFOZSA-N
-rxn:5:180402:223189:226148,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2C(=O)C2CCCCC2)c1,ZIZBFKUBMIDZIP-UHFFFAOYSA-N
-rxn:5:180421:223000:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(C3CCCNC3)c(F)c2)c([N+](=O)[O-])s1,MXWDWPYKNXXXCS-UHFFFAOYSA-N
-rxn:5:180506:226761:227035,CSc1ccc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cc(C#N)cc(C3CC3)c2)c(C(F)(F)F)c1,IOQKOKMHXNYMCT-UHFFFAOYSA-N
-rxn:5:180662:223007:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cc(F)cc(C4CCNCC4)c3)c2OC1,AJBKMVVVLSMHIJ-UHFFFAOYSA-N
-rxn:5:180662:223065:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,QZFVYDOXXMVTHJ-UHFFFAOYSA-N
-rxn:5:180662:223239:222405,COC(=O)C1=Cc2cc(-c3cccc(C4NC(=O)NC4=O)c3)cc(-c3cncc(C4CCCN4)c3)c2OC1,NFGPJMNOFZMIJX-UHFFFAOYSA-N
-rxn:5:180662:223242:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,DFZMCLXPFFEQCV-UHFFFAOYSA-N
-rxn:5:180662:225834:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,GQDNJMKCMBNMLS-UHFFFAOYSA-N
-rxn:5:180662:226148:226685,COC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,FTKCNKPTWDSFOU-UHFFFAOYSA-N
-rxn:5:180662:226366:227767,CCn1cc(-c2cc3c(c(-c4ccnc(N5CCCCC5)c4)c2)OCC(C(=O)OC)=C3)c(C(F)(F)F)n1,GYJMQNSKIOYABA-UHFFFAOYSA-N
-rxn:5:180662:226586:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(OC4CCOC4)c3)c2OC1,XTRYBUYRHHDIPP-UHFFFAOYSA-N
-rxn:5:181904:222956:222988,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2cc(C)nc(C3CCNCC3)c2)c(C2CCCNC2)c1,NQGZQJCAKCGJRM-UHFFFAOYSA-N
-rxn:5:181904:222957:225683,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,NRCUWYOPKHKXHI-UHFFFAOYSA-N
-rxn:5:181904:222960:222981,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccnc(NC3CCCCC3)c2)cc(C2CCNCC2)c1,PRSBEIPLGVSCGM-UHFFFAOYSA-N
-rxn:5:181904:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccccc1C1CNCCO1,INYUNUWTDOFJKC-UHFFFAOYSA-N
-rxn:5:181907:222988:225683,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,MRDLXGBJZPLDPX-UHFFFAOYSA-N
-rxn:5:181907:223134:225832,Cc1cc(-c2cnccc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AEZFMFAWLOSQMY-UHFFFAOYSA-N
-rxn:5:181908:223001:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCCNC3)ccc2F)cc(C2CCNCC2)c1,AFIWKKQYIVYQAO-UHFFFAOYSA-N
-rxn:5:181908:223139:225832,Cc1cc(-c2ccc(C3CCNCC3)nc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,DYSYROZUHIVMNH-UHFFFAOYSA-N
-rxn:5:183216:225407:226058,CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc2c1OC(C)(C)CC2=O,CAOLBIVMRREWAM-UHFFFAOYSA-N
-rxn:5:188460:225884:226190,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2COCCO2)c(F)c1,UENACGCUIIYVHY-UHFFFAOYSA-N
-rxn:5:188930:223201:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CCNC2)cc1-c1ccc(C(C)N2CCCC2)s1,DNHOWDUZCWLKAH-UHFFFAOYSA-N
-rxn:5:188932:226649:225639,COC(=O)c1cc(-c2cccnc2N2CCOCC2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,IHFKKKKBVFFQFW-UHFFFAOYSA-N
-rxn:5:188932:227438:225456,COC(=O)c1cc(-c2ccc(C3CCN(C)CC3)cc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)c1,YCNMOZCBONCCCE-UHFFFAOYSA-N
-rxn:5:189207:227102:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C(=O)ON1C(=O)CCC1=O,JOUFRQXLYQEJJJ-UHFFFAOYSA-N
-rxn:5:189207:228540:225933,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2COC3)ccc1-c1cc(C2CC2)nc(C(F)(F)F)c1,QJJHJBBXGAVOGG-UHFFFAOYSA-N
-rxn:5:189208:226068:227933,CCc1ccc(OC)cc1-c1cc(-c2c(C)cc(C(C)(C)C)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,BFYYEXGDHUVWQU-UHFFFAOYSA-N
-rxn:5:189209:226968:227278,CC1(C)Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C5(C#N)CC5)nc4)c3)cc2O1,WWZZCFKTSQXZOH-UHFFFAOYSA-N
-rxn:5:189210:227326:226679,COC(=O)c1ccc(C)c(-c2cccc(-c3cnc(N4CCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)c1,SZPOBCDCTCYLBR-UHFFFAOYSA-N
-rxn:5:189211:225456:226440,CN1CCC(c2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cc(F)nc(C4CCCC4)c3)cc2)CC1,BVUKLLLHTPTPDS-UHFFFAOYSA-N
-rxn:5:189212:225448:227940,CCc1cc(SC)cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C)ccc2OC2CCCC2)c1,BWMLNQKZCSHCPS-UHFFFAOYSA-N
-rxn:5:189320:225585:225655,CC1CCN(c2cncc(-c3ncc(C(=O)OC(C)(C)C)cc3-c3ccccc3CN3CCOCC3)c2)CC1,GMTFWYOZNVBPQO-UHFFFAOYSA-N
-rxn:5:189320:226062:223105,CNS(=O)(=O)c1cc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cc(C(C)C)cc(C(C)C)c2)c(F)cc1C,PFPXEZUTBSGIDW-UHFFFAOYSA-N
-rxn:5:189321:225976:225982,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(N2CCOCC2)cc1F,IEAJZRJEDKZTQG-UHFFFAOYSA-N
-rxn:5:189407:225633:225985,CN(Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1)C1CC1,PCDXKDMLAVEXIN-UHFFFAOYSA-N
-rxn:5:189407:225985:225633,CN(Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(N3CCCCCC3)nc2)c1)C1CC1,XLHDHLLXTRKPTM-UHFFFAOYSA-N
-rxn:5:189449:225640:227761,COC1CN(C(=O)c2cc(-c3ccc(F)cc3C(F)(F)F)ccc2-c2ccnc(N3CCCCC3C)c2)C1,QUVKTHCOIUQSJN-UHFFFAOYSA-N
-rxn:5:189540:225985:226414,COC1CN(Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(C3=NCCCO3)cc2)C1,GNQDWJGIYCWRFI-UHFFFAOYSA-N
-rxn:5:189540:226414:225985,COC1CN(Cc2cc(-c3ccc(C4=NCCCO4)cc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)C1,VOYBVIFOJRHHAC-UHFFFAOYSA-N
-rxn:5:189668:223082:227065,CNS(=O)(=O)c1c(C)cc(-c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2CC(=O)N2CCCC2)cc1C,WAIAJALPBJHDGP-UHFFFAOYSA-N
-rxn:5:189669:223113:226062,CC(C)c1cc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(C)C)c1,HKTJWXFKEVMDFE-ALQBTCKLSA-N
-rxn:5:189718:225935:228572,Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1C#N,GLIZTPADGYVLLL-UHFFFAOYSA-N
-rxn:5:189829:223389:225871,COc1c(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(=O)N2CCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,XVHPNUFEPFPOQQ-UHFFFAOYSA-N
-rxn:5:189909:225976:225976,Fc1c(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(CCN3CCOCC3)c2)ccnc1N1CCOCC1,VDKXVCBPGOYHCD-UHFFFAOYSA-N
-rxn:5:189952:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,PZOJTMIEHHYBHG-UHFFFAOYSA-N
-rxn:5:189952:226744:226794,CCc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)cnc1C(F)(F)F,HPDFMWZHRBMPCQ-UHFFFAOYSA-N
-rxn:5:190001:226147:226438,Cc1cc(OC(C)C)cc(C)c1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cnc(C2CCCC2)cc1F,IHXQJJCQZANGSG-UHFFFAOYSA-N
-rxn:5:190131:226572:228322,CCOc1ncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(OC4CCCC4)nc3)c2OC)cc1F,IXQSTJPHSZKJNP-UHFFFAOYSA-N
-rxn:5:190131:227535:226040,CCOc1cc(F)c(F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1OC,XXFSNOGEGLCVIN-UHFFFAOYSA-N
-rxn:5:190194:223388:225868,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccc(N3CCOCC3)c(F)c2)CC1,MBYIAMWMJPJNIL-UHFFFAOYSA-N
-rxn:5:190194:227348:226191,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCC3)ccc2F)c(C)c1OC,SECXORVAQXBZBR-UHFFFAOYSA-N
-rxn:5:190194:227587:226179,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cncc(C3CCCCC3)c2)cc(F)c1OC,JOFZLEZEKNQZPC-UHFFFAOYSA-N
-rxn:5:190195:223113:225803,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,RODYLSRIMDHEBX-UHFFFAOYSA-N
-rxn:5:190195:226644:223141,CN(Cc1ccc(-c2cncc(N3CCOCC3)c2)c(-c2cncc(C3CCNCC3)c2)c1)C1CCOCC1,WFRSURJUCLJTBD-UHFFFAOYSA-N
-rxn:5:190197:223388:225834,CN(Cc1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(S(=O)(=O)O)cc1)C1CCOCC1,XQCSUBYOBXHZKD-UHFFFAOYSA-N
-rxn:5:190197:228131:226330,CC(c1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)cc(CC#N)c3)c2)s1)N1CCCC1,WEYZXJMANAFRPY-UHFFFAOYSA-N
-rxn:5:190197:228473:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc([N+](=O)[O-])ccc1F)C1CCOCC1,DKSGHUPOMKMMJU-UHFFFAOYSA-N
-rxn:5:190201:225784:223113,CC1CN(CCc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,FSZKWLNQIIFMIV-UHFFFAOYSA-N
-rxn:5:190201:228005:225637,CSc1cc(C)c(-c2ccc(-c3ccccc3N3CCN(C)CC3)c(CCN3CCOC(C)C3)c2)cc1C,BCLYBSNALWDWGQ-UHFFFAOYSA-N
-rxn:5:190231:223058:227341,COc1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(OC(C)C)c1F,UOHREPBZHJXZAW-UHFFFAOYSA-N
-rxn:5:190264:226590:226847,CSc1ncc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc(OC2CCOC2)nc1,MJAWRAYTXPPCDT-UHFFFAOYSA-N
-rxn:5:190265:223313:226854,COc1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(C3(O)CC3)cc2)c1[N+](=O)[O-],WKKJJVDKOOERCD-UHFFFAOYSA-N
-rxn:5:190299:228601:225593,COc1ccc(-c2ccccc2C(C)=O)cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)C1=O,YEENJGMQFBWHTB-UHFFFAOYSA-N
-rxn:5:190309:227758:223189,CC1CCCCN1CCc1cc(-c2cc(F)ccc2C(F)(F)F)ccc1-c1ccc(NS(C)(=O)=O)cc1F,TUKOCUYNVMBRSI-UHFFFAOYSA-N
-rxn:5:190335:226741:227689,COc1c(-c2ccc(CC(F)(F)F)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)ccc1C#N,WHERGEHBFKBKHY-UHFFFAOYSA-N
-rxn:5:190335:227717:227711,COc1c(-c2ccc(F)c(OC(F)F)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(F)cc1OC(F)F,OUVPJYAGYPAODP-UHFFFAOYSA-N
-rxn:5:190337:225641:225639,COc1c(-c2ccnc(N3CCCC(C)C3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1cccnc1N1CCC(C)CC1,OIGRYHHCKVDUNX-UHFFFAOYSA-N
-rxn:5:190418:225871:226763,COC(=O)c1c(F)cc(-c2ccc(N3C(=O)CC(Cc4ccc(-c5cccc(N6C(=O)C=CC6=O)c5)cc4)C3=O)c(C)c2)cc1F,SIKMYYIWZYWWQG-UHFFFAOYSA-N
-rxn:5:190459:226899:227299,CN(C)Cc1cc(F)cc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCS2)c1,VXRMAYNUKFAKON-UHFFFAOYSA-N
-rxn:5:190484:228107:227319,CCC(C)c1ncncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ncc3F)S(=O)(=O)CC2)c1,QZPRDRGQHDOJNF-UHFFFAOYSA-N
-rxn:5:190712:225985:225611,CCOC(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)c2cc(-c3ccc(N4CCCC4)cc3OC)ccc2n1C,UOCORGOBUUDMNJ-UHFFFAOYSA-N
-rxn:5:190740:225881:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,RTCGMRZSNZEVJZ-UHFFFAOYSA-N
-rxn:5:190740:225980:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,PWUXUNNGPDZPJY-UHFFFAOYSA-N
-rxn:5:190741:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PAKFAKWAPRBPGJ-UHFFFAOYSA-N
-rxn:5:190741:225633:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ONLNCODKLUDGKQ-UHFFFAOYSA-N
-rxn:5:190741:225976:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,JNTCMNSDXPPXPT-UHFFFAOYSA-N
-rxn:5:190742:223006:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,WIVVCMOFJQSKHZ-UHFFFAOYSA-N
-rxn:5:190742:223061:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cc(N2CCOCC2)ncc1F,QFUYSXIXTLIGCT-UHFFFAOYSA-N
-rxn:5:190742:223062:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JYJONKQAADTZMI-UHFFFAOYSA-N
-rxn:5:190742:223065:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,UDWNWKKODROZFN-UHFFFAOYSA-N
-rxn:5:190742:223065:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCOCC2)nc1F,OOYXKHVQKXBVLK-UHFFFAOYSA-N
-rxn:5:190742:225833:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cnc(C2CCNCC2)cc1F,SNPZAQHNUSXJGS-UHFFFAOYSA-N
-rxn:5:190742:225881:226571,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cnn(CC2CCOCC2)c1,IHJPEXLQSYTPEL-UHFFFAOYSA-N
-rxn:5:190742:225978:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,FZWWKHZUNANSOB-UHFFFAOYSA-N
-rxn:5:190742:225980:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,VUIKFZXNLLMFMS-UHFFFAOYSA-N
-rxn:5:190742:226583:226571,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cnn(CC2CCOCC2)c1,HLCLRGANYMGGAR-UHFFFAOYSA-N
-rxn:5:190743:225976:223064,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,ODHFKSMICQTMBI-UHFFFAOYSA-N
-rxn:5:190744:223056:223065,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,XDTKQSYZXAVFHA-UHFFFAOYSA-N
-rxn:5:190744:225980:225978,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,MKDUOWLTUCQHCG-UHFFFAOYSA-N
-rxn:5:190744:226583:222985,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccc(C2CCCNC2)nc1C,PPQZAZTXLNLSRD-UHFFFAOYSA-N
-rxn:5:190799:226064:225450,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCC4)cc3)c(-c3ccc(C(=O)C4CCCC4)cc3)ccc21,IIAJZTIHNRYBQJ-UHFFFAOYSA-N
-rxn:5:190833:225515:228510,CC(C)c1ccccc1-c1ccc(-c2cccc3c2OCC(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,PXLPYDKUDNWHNB-UHFFFAOYSA-N
-rxn:5:190833:226912:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,OKKUXUQWDPBSHC-UHFFFAOYSA-N
-rxn:5:190833:227048:223288,CNS(=O)(=O)c1cccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,WPFZMWLTRMDCKG-UHFFFAOYSA-N
-rxn:5:190833:227048:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc1,MAWWFTJWSUSAKS-UHFFFAOYSA-N
-rxn:5:190833:227079:227950,Cc1ccc(N(C)C)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,WWXSXRRFDIMEKB-UHFFFAOYSA-N
-rxn:5:190833:227970:226914,Cc1cc(CC(C)C)ccc1-c1ccc(-c2ccncc2C(C)(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,ZZSNWPBQEKVEOG-UHFFFAOYSA-N
-rxn:5:190998:227815:226068,CCC(C)c1ccccc1-c1ccc2c(c1)CN(c1ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc1C(=O)OC)C(=O)CO2,LOHUZUKVTPHTEQ-UHFFFAOYSA-N
-rxn:5:191026:228401:225833,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(N4CCCCC4)c3F)c2)c2cc(-c3c(F)ccc(F)c3OC)ccc2S1(=O)=O,KINWYVXLJZSHBQ-UHFFFAOYSA-N
-rxn:5:192560:225641:225985,CC1CCCN(c2cc(-c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)c(C(=O)N4CCC4)c3)ccn2)C1,UFLSFXLJOXMCBY-UHFFFAOYSA-N
-rxn:5:192562:225849:225987,N#CC1(c2ccc(-c3cnc(N4CCCCC4)cc3F)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)CCC1,WWUNYDGDQICMLF-UHFFFAOYSA-N
-rxn:5:192563:225834:225986,O=C(c1cc(-c2cc(N3CCCCC3)ncc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCC1,DCBPYUUJRKFQIE-UHFFFAOYSA-N
-rxn:5:192565:225654:225985,CC1CCCN(c2ccc(-c3ccc(C4(C#N)CCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)cn2)C1,AKTCDRLENQWXIS-UHFFFAOYSA-N
-rxn:5:192566:225985:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(C4(C#N)CCC4)c3)cn2)CC1,BFXKINWNNQRYMV-UHFFFAOYSA-N
-rxn:5:192567:225834:225987,N#CC1(c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)CCC1,FEWTWXVHACZHAH-UHFFFAOYSA-N
-rxn:5:192572:225634:225986,Cc1cc(-c2ccc(C(=O)N3CCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,KBCFAVJCDURDEL-UHFFFAOYSA-N
-rxn:5:192572:225849:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2C(=O)N2CCC2)c1,ZIOMKZYPDQNYSU-UHFFFAOYSA-N
-rxn:5:193050:225985:226414,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccc(C2=NCCCO2)cc1)N1CCCC1,URGSNMAFGLLLDA-UHFFFAOYSA-N
-rxn:5:193052:225985:226414,O=C(c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccc(C2=NCCCO2)cc1)N1CCCC1,LESHKMJBAMINOF-UHFFFAOYSA-N
-rxn:5:193052:226414:225985,O=C(c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,QCSYRCBWFVMUQX-UHFFFAOYSA-N
-rxn:5:193054:225849:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1c(C(=O)N2CCCC2)cccc1-c1cnc(N2CCCCC2)cc1F,FXNKQTPKZFVBEN-UHFFFAOYSA-N
-rxn:5:193054:225849:225986,O=C(c1cccc(-c2cnc(N3CCCCC3)cc2F)c1-c1ccccc1N1CCCS1(=O)=O)N1CCCC1,MHOWCTTUUGEHJO-UHFFFAOYSA-N
-rxn:5:193054:225985:226366,O=C(c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccnc(N2CCCCC2)c1)N1CCCC1,HYOBEURUZFJZPQ-UHFFFAOYSA-N
-rxn:5:193054:225985:226414,O=C(c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccc(C2=NCCCO2)cc1)N1CCCC1,YESGDRQNKYLNOO-UHFFFAOYSA-N
-rxn:5:193054:226414:225985,O=C(c1cccc(-c2ccc(C3=NCCCO3)cc2)c1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,UVIDYTYZESHLSV-UHFFFAOYSA-N
-rxn:5:193226:223006:225976,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,CZPBJXLMNVFKIU-UHFFFAOYSA-N
-rxn:5:193226:227376:223064,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2ccc(C3CCNCC3)nc2F)c1)N1CCOCC1,DPYMNXMULVYLDX-UHFFFAOYSA-N
-rxn:5:193229:225811:227669,COc1c(F)c(C)cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(C3(C(F)(F)F)CC3)cc2)c1F,WYYRWIPJGMTSRQ-UHFFFAOYSA-N
-rxn:5:193230:225623:225946,CC(=O)c1cc(-c2cc(-c3cccc(OC4CCOCC4)c3)ccc2C(=O)N2CCOCC2)cc(C(F)(F)F)c1,KKXFXFQPJRIFOP-UHFFFAOYSA-N
-rxn:5:193331:225803:223113,CC1(C)C(=O)Nc2ccc(-c3cc(-c4ccnc(OC5CCOCC5)c4)ccc3CN3CCOCC3)cc21,SWFIDRLQSQUHBM-UHFFFAOYSA-N
-rxn:5:193336:223113:225803,CC1(C)C(=O)Nc2ccc(-c3cccc(CN4CCOCC4)c3-c3ccnc(OC4CCOCC4)c3)cc21,SFYBRWXJWXNOQU-UHFFFAOYSA-N
-rxn:5:193382:222956:222996,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)cc3C3CCCNC3)c2)c(C2CCCNC2)c1,XPVSAFQPLQYMSM-UHFFFAOYSA-N
-rxn:5:193382:222957:223140,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCCNC4)c3)c2)cc(C2CCCNC2)c1,CQBWYWLPUJARNB-UHFFFAOYSA-N
-rxn:5:193382:222957:226446,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOC4)nc3C)c2)cc(C2CCCNC2)c1,FFGXEKSWOWIWHW-UHFFFAOYSA-N
-rxn:5:193382:222985:225683,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCOC3)nc2C)c1,KQIPAUBELHDWMW-UHFFFAOYSA-N
-rxn:5:193382:222987:225982,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(N3CCOCC3)cc2F)c1,WMBOWQNMPPZYGQ-UHFFFAOYSA-N
-rxn:5:193382:223135:226649,O=S(=O)(c1ccc(-c2cccnc2C2CCCNC2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,ULZPLWFSHWIZAW-UHFFFAOYSA-N
-rxn:5:193382:223142:226644,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,GCUXCWLVENOVJR-UHFFFAOYSA-N
-rxn:5:193382:223148:227656,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1cc(N2CCOCC2)cs1)N1CCOCC1,JOMJZKJCIREJLF-UHFFFAOYSA-N
-rxn:5:193382:223295:223140,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCCNC4)c3)c2)c1,YXEWAIXDXXCEGV-UHFFFAOYSA-N
-rxn:5:193382:225661:222958,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C)c(C3CCNCC3)c2)c1,UBKRRYOYCIGPMW-UHFFFAOYSA-N
-rxn:5:193382:225661:226411,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)cc2)c1,HVPWHWXUVWKRKI-UHFFFAOYSA-N
-rxn:5:193382:225684:227438,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,PBWFZPWKGQWUSS-UHFFFAOYSA-N
-rxn:5:193382:225976:223148,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccccc1C1CNCCO1)N1CCOCC1,WTDSIZZTVDGPKZ-UHFFFAOYSA-N
-rxn:5:193382:225980:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1S(=O)(=O)N1CCOCC1,HYVGAMCSTZZCRD-UHFFFAOYSA-N
-rxn:5:193382:225982:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1S(=O)(=O)N1CCOCC1,IFOAHSMVONOEOB-UHFFFAOYSA-N
-rxn:5:193382:226330:223294,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)s1)N1CCCC1,CFVDULABLNUBQY-UHFFFAOYSA-N
-rxn:5:193382:226644:223002,O=S(=O)(c1ccc(-c2cncc(N3CCOCC3)c2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,UNBHDBPLUTVVSK-UHFFFAOYSA-N
-rxn:5:193382:226662:223312,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CNC5)cc4)c3)s2)CC1,CTIVSEAZFLZDGF-UHFFFAOYSA-N
-rxn:5:193382:227432:225880,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(C3CCOCC3)ncc2F)c1,QDFYVIDHIFBDBE-UHFFFAOYSA-N
-rxn:5:193382:227432:226645,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCOCC3)c2)c1,LPDHSKNLXYKOHW-UHFFFAOYSA-N
-rxn:5:193382:228868:223063,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)s1,HAAOVUOCPSQRHS-UHFFFAOYSA-N
-rxn:5:193459:223007:223173,O=C(c1cc(-c2cc(F)cc(C3CCNCC3)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCCCC1,CEVWORDECGDIKO-UHFFFAOYSA-N
-rxn:5:193459:223173:225980,O=C(c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc(-c2cc(N3CCOCC3)ncc2F)c1)N1CCCCC1,VZWVHLBJQRJFJJ-UHFFFAOYSA-N
-rxn:5:193459:226414:225985,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CCCCC1,AEBWADGDXROCMB-UHFFFAOYSA-N
-rxn:5:193460:223173:225982,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cnc(N2CCOCC2)cc1F)N1CCCCC1,YAHNIHLFSAQMHT-UHFFFAOYSA-N
-rxn:5:193461:225985:227387,O=C(c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccnc(N2CCCC2)c1)N1CCCCC1,CLPLUUGYLKIUMZ-UHFFFAOYSA-N
-rxn:5:193462:223173:226414,O=C1CCN(Cc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccc(C3=NCCCO3)cc2)CC1,FMIAGRZAHVVGPE-UHFFFAOYSA-N
-rxn:5:193463:223173:226414,O=C1CCN(Cc2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2ccc(C3=NCCCO3)cc2)CC1,CXIYFWSSULNLBP-UHFFFAOYSA-N
-rxn:5:193464:223173:226414,N#CC1(c2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2ccc(C3=NCCCO3)cc2)CCCCC1,NFZVWBAEWBFCRY-UHFFFAOYSA-N
-rxn:5:193506:223131:225834,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2-c2cc(N3CCCCC3)ncc2F)CC1,RLAVLBNOAWCPBF-UHFFFAOYSA-N
-rxn:5:193506:223147:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CNCCO5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,WQIQEAYMZPZCGE-UHFFFAOYSA-N
-rxn:5:193506:223295:227449,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCOCC4)s3)c2)c1,ROGUWRRBMLGLBC-UHFFFAOYSA-N
-rxn:5:193506:225934:228476,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C(F)(F)F)c(C4CC4)c3)cc2-c2cccnc2C(F)(F)F)CC1,CPKFDQRABKTWQI-UHFFFAOYSA-N
-rxn:5:193506:226330:223311,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNC4)c3)c2)s1)N1CCCC1,FIRLQUDIMMZSTJ-UHFFFAOYSA-N
-rxn:5:193506:226741:223271,CC(=O)Nc1cc(-c2cc(-c3cc(C(F)(F)F)ccc3C#N)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1F,HOPLMDGDQZCMHW-UHFFFAOYSA-N
-rxn:5:193506:227285:226583,N#Cc1cnc(C2CC2)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,QTFNMNYFXFWTTA-UHFFFAOYSA-N
-rxn:5:193506:227432:225805,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,XWYIUQKVKJDSLE-UHFFFAOYSA-N
-rxn:5:193506:227679:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2-c2ccnc(N3CCCCC3)c2)CC1,KXUBTJMUONBBMA-UHFFFAOYSA-N
-rxn:5:193506:228115:226457,CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCOC4)c(F)c3)c2)cn1,VMWVTNOGXZEZOR-UHFFFAOYSA-N
-rxn:5:193506:228476:226663,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C(F)(F)F)cc2-c2ccc(N3CCSCC3)nc2)CC1,GKTKDSOUTLJVKN-UHFFFAOYSA-N
-rxn:5:193506:228695:226645,CN(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(N4CCOCC4)c3)c2)cs1,YWVTTYPOKCYBSC-UHFFFAOYSA-N
-rxn:5:193537:223183:225833,CNS(=O)(=O)c1ccc(-c2c(CN3CCCCC3)cccc2-c2ccnc(N3CCCCC3)c2F)c(C)c1,NEOLNAOJXDQCES-UHFFFAOYSA-N
-rxn:5:193539:223135:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1cccnc1C1CCCNC1,FQNHXPIHBJMIFU-UHFFFAOYSA-N
-rxn:5:193681:223131:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2ccc(N3CCNCC3)cc2)cc1OC1CCN(C)CC1,DIYQZROGPGGPEU-UHFFFAOYSA-N
-rxn:5:193681:223173:226414,CN1CCC(Oc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccc(C3=NCCCO3)cc2)CC1,RHBYXKVDZDUMKX-UHFFFAOYSA-N
-rxn:5:193710:225587:223263,CNC(=O)c1ccc(F)c(-c2ccc(C=C3SC(=S)N(c4cccc(-c5cccc(CN6CCOCC6)c5)c4)C3=O)cc2)c1,DPTDVQYQFYXKSD-UHFFFAOYSA-N
-rxn:5:193752:228198:226835,Cc1nc(C(C)C)ncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1-c1cc(C(F)(F)F)nn1C(C)C,SAWHGTAWSCUPEH-UHFFFAOYSA-N
-rxn:5:193754:227302:226766,Cc1ccc(OC(F)(F)F)c(-c2c(C(=O)N3CCC(C)CC3)cccc2-c2cnc(OC(C)C)c(C)c2)c1,BSJRRLHMSBLXCO-UHFFFAOYSA-N
-rxn:5:193755:227803:226583,CC1CCCN(C(=O)c2cccc(-c3ccnn3S(=O)(=O)N(C)C)c2-c2ccc(CN3CCOCC3)s2)C1,KNWWVWCIQSGMBZ-UHFFFAOYSA-N
-rxn:5:193756:225636:226842,CC1CCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cncc(C(=O)C(F)(F)F)c4)c3)ccn2)CC1,BWXKNLRSAYZDLA-UHFFFAOYSA-N
-rxn:5:193756:225653:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccc(N4CCCCC4C)nc3)ccc2C(=O)N2CCCCC2C)c1,QMCZCPUYUPRQIC-UHFFFAOYSA-N
-rxn:5:193756:225808:226849,COc1nccc(-c2cc(-c3cc(OC4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,KSUIZPDDYUJNNV-UHFFFAOYSA-N
-rxn:5:193756:226182:226182,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1cccnc1C1CCCCC1,KGZMMLAIPUVFNH-UHFFFAOYSA-N
-rxn:5:193756:226366:225591,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cc(CN2CCCC2)ccc1F,WWMYGKHEFRIKAH-UHFFFAOYSA-N
-rxn:5:193756:226437:226679,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)ncc2F)cc1-c1cnc(N2CCCC2)cc1F,GCHXSFBJLVRGQT-UHFFFAOYSA-N
-rxn:5:193756:226849:227701,COC(=O)c1cc(-c2cc(-c3ccnc(OC)c3C(F)(F)F)ccc2C(=O)N2CCCCC2C)c(F)cn1,WAACTYCWZRMMMU-UHFFFAOYSA-N
-rxn:5:193807:226414:223173,CC1CCN(Cc2cccc(-c3ccc4c(c3)C(O)CS4(=O)=O)c2-c2ccc(C3=NCCCO3)cc2)CC1,OQJDIOUHSBWZJN-UHFFFAOYSA-N
-rxn:5:193808:226366:225985,CC1CCN(Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,GFHUGSHLTYHGFX-UHFFFAOYSA-N
-rxn:5:193866:225454:228503,CN1CC=C(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3ccc4c(c3)CCC4)cc2)CC1,KZWCOEYSZSVQKG-UHFFFAOYSA-N
-rxn:5:193866:227077:227069,CCC(C)c1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(OC)cc2C(C)C)c(F)c1,JCQAJUHBIULDIQ-UHFFFAOYSA-N
-rxn:5:193867:228121:226338,CCOc1nccc(C)c1-c1cc(-c2ccnc(OC3CCCC3)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,JPCVLFMEXXPKIC-UHFFFAOYSA-N
-rxn:5:193869:223147:227710,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(OS(C)(=O)=O)cc1,CBEVHRYHHAMGRF-UHFFFAOYSA-N
-rxn:5:193869:225886:226679,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,ZMCMGNPFUZFBCU-UHFFFAOYSA-N
-rxn:5:193869:226366:225886,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,ZLWXLXNSLPKDGU-UHFFFAOYSA-N
-rxn:5:193870:223111:225834,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cccc2[nH]nc(C(C)C)c12,XZEQNBDALKCXLC-UHFFFAOYSA-N
-rxn:5:193870:225886:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,CGDOBZSJVNXNMX-UHFFFAOYSA-N
-rxn:5:193870:226366:225886,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1-c1ccnc(N2CCCCC2)c1,MZGYEUBKPMSTSY-UHFFFAOYSA-N
-rxn:5:193870:228868:223148,COC(=O)c1ccc(-c2cc(-c3ccccc3C3CNCCO3)c(S(=O)(=O)N3CCCCC3)cc2C)s1,IJEICAIJNBCOPW-UHFFFAOYSA-N
-rxn:5:193871:226769:227444,COC(=O)c1cc(F)c(F)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cncc(C3CCCO3)c2)c1,IRJVXQQKGJKCFA-UHFFFAOYSA-N
-rxn:5:193912:227379:225798,O=C1CS(=O)C(c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2)C(=O)N1c1ccc(-c2cccnc2N2CCCC2)cc1,AZTJXMMWRLQOQL-UHFFFAOYSA-N
-rxn:5:193932:226598:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)N2CC(C)CC(C)C2)cc1-c1cc(OC(C)C)c(F)cc1F,CMKLDAPWOMJGEB-UHFFFAOYSA-N
-rxn:5:193967:226050:227056,COc1cccc(C2CC2)c1-c1cc(-c2c(F)cc(OC(F)(F)F)cc2F)ccc1CN1CCC2(CC1)OCCO2,AFLHJEAVTYBDEQ-UHFFFAOYSA-N
-rxn:5:193967:228682:222989,CCCc1ncncc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(N3CCNCC3)cc2C)c1,WQESRFNXFFYPRD-UHFFFAOYSA-N
-rxn:5:193968:227952:223192,CNS(=O)(=O)c1cc(-c2ccc(-c3cc(C)c(C#N)cc3C)cc2CN2CCC3(CC2)OCCO3)ccc1F,RNNKCMKMBRUTRK-UHFFFAOYSA-N
-rxn:5:193972:223112:223133,Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1N1CCNCC1,JPDZHOOLUXXMKN-UHFFFAOYSA-N
-rxn:5:193972:223146:223147,Cc1cc(-c2cccc(C3CNCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CNCCO2)cc1,VUOLWUDVJVRXIM-UHFFFAOYSA-N
-rxn:5:193972:223260:228292,CNC(=O)c1cc(F)cc(-c2cc(C)c(-c3ccnc4c3OCCO4)cc2S(=O)(=O)N2CCCCCC2)c1,PXXANFHHAAKGLI-UHFFFAOYSA-N
-rxn:5:193972:223272:223378,CNC(=O)c1ccc(-c2cc(C)c(-c3cnc4c(c3)NCCO4)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,DUBMYUACLOYVPA-UHFFFAOYSA-N
-rxn:5:193972:225886:226366,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,TYKXVFUTKNZEHE-UHFFFAOYSA-N
-rxn:5:193972:225886:227387,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,HTCJJSSULVZVEY-UHFFFAOYSA-N
-rxn:5:193972:226662:223148,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,MEQHQUZVKKHBCV-UHFFFAOYSA-N
-rxn:5:193972:227387:225886,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,SHUKSJNYDSORFK-UHFFFAOYSA-N
-rxn:5:193972:227449:222420,Cc1cc(-c2ccc(C3CCOCC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,LCEISRYWFUSZHY-UHFFFAOYSA-N
-rxn:5:193972:228517:226366,CC#Cc1ccccc1-c1cc(C)c(-c2ccnc(N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCCC1,BUEVDQVFWZQPIQ-UHFFFAOYSA-N
-rxn:5:194058:223054:225514,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCC(O)C1,OPKANAMKLWLNJP-UHFFFAOYSA-M
-rxn:5:194058:225436:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCCCC3)cc2)s1)N1CCCCC1,JUDAAFBVYYCBLJ-UHFFFAOYSA-M
-rxn:5:194058:225446:223054,Cc1cc(OC2CCCC2)cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)c1,MEGQGKAXSQZCHA-UHFFFAOYSA-M
-rxn:5:194058:225464:225607,CC1CCCN(c2cccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)C1,HFUYLGHSQMDJNI-UHFFFAOYSA-M
-rxn:5:194058:225607:225440,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3(C#N)CCCC3)cc2)s1)N1CCCCC1,VHMZOBOMSURZCU-UHFFFAOYSA-M
-rxn:5:194058:225607:225879,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)cc2F)s1)N1CCCCC1,AUCFXHSQOGHWLB-UHFFFAOYSA-M
-rxn:5:194058:225679:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCOCC1,KFJUBVPOJKYKPD-UHFFFAOYSA-M
-rxn:5:194058:225868:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)c(F)c2)s1)N1CCCCC1,NIKUFFSHLHRYOF-UHFFFAOYSA-M
-rxn:5:194058:225879:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)cc2F)s1)N1CCCCC1,YWGSKYRQPGIHTO-UHFFFAOYSA-M
-rxn:5:194397:223062:227317,CC(C)(C)Oc1cc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cnc(C4CCNCC4)cc3F)c2)ccn1,LIUBMXFGLRZRJN-UHFFFAOYSA-N
-rxn:5:194522:225986:226366,CC(C)CN1CCc2c1ccc(-c1ccccc1N1CCCS1(=O)=O)c2-c1ccnc(N2CCCCC2)c1,GRSFFJYZYLQWPG-UHFFFAOYSA-N
-rxn:5:194733:227748:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,OAAZULQBIQUYRC-UHFFFAOYSA-N
-rxn:5:194767:225980:225833,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3ccnc(N4CCCCC4)c3F)C2)c2ccccc21,GRQCVZMNXFTARO-UHFFFAOYSA-N
-rxn:5:194782:226864:228344,O=C1CC2(CCN(C(=O)c3cc(-c4cc(F)c(OC(F)F)c(F)c4)ccc3-c3ccc(SC(F)F)cc3)CC2)Oc2ccccc21,CABKOUYHROSKEW-UHFFFAOYSA-N
-rxn:5:194791:227286:226196,Cc1sc(-c2ccccc2)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(C(=O)N(C)C)cc4)C(=O)C23)cc1,AQBMOMXJMSEZNL-UHFFFAOYSA-N
-rxn:5:194791:227390:229234,CSc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccnn5C5CCCCC5)C(=O)C34)cc2)s1,HURFLVJLSLVQQI-UHFFFAOYSA-N
-rxn:5:194792:223002:226209,COc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c2cccnc12,QXXPAEFIRDMFOH-UHFFFAOYSA-N
-rxn:5:194792:226914:225794,Cc1cc(CC(C)C)ccc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(OC6CCCCC6)nc5)cc4)C(=O)C23)cc1,IJDJIRVJGZHZPQ-UHFFFAOYSA-N
-rxn:5:196408:225438:225985,CC(c1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)cc1)N1CCCC1,FDZDJNZWDMTUHC-UHFFFAOYSA-N
-rxn:5:196408:225439:225985,CC(c1cccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)c1)N1CCCC1,ZREUBNAQUAIJJH-UHFFFAOYSA-N
-rxn:5:196408:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NOCCO1,XJTUKAPWDGSCNL-UHFFFAOYSA-N
-rxn:5:196408:225986:225439,CC(c1cccc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1)N1CCCC1,FPOMMNJMELHJQY-UHFFFAOYSA-N
-rxn:5:196408:225986:225515,CC1(C)COc2cccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2OC1,LCXAKCPAWUYUKK-UHFFFAOYSA-N
-rxn:5:196408:225986:225576,N#Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)ccc1N1CCCC1,RSRUVEYZZYVQHW-UHFFFAOYSA-N
-rxn:5:196619:225666:225986,O=C1CCCN1c1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,JEMJLBOGSIGWEJ-UHFFFAOYSA-N
-rxn:5:196622:225986:225666,O=C1CCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cc(F)cc(N2CCCCC2)c1,VXGQYNJSRUDFON-UHFFFAOYSA-N
-rxn:5:196667:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCC2)ccnc1-c1ccc(C2CCCCCC2)cc1,KNSGHJQOSJXVKZ-UHFFFAOYSA-N
-rxn:5:196794:225834:223061,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cc(C2CCNCC2)ncc1F,JAFYEQKJHUDZDL-UHFFFAOYSA-N
-rxn:5:196794:226664:223064,O=C1COCCN1c1cc(-c2cc(N3CCCC3)ncc2F)ccc1-c1ccc(C2CCNCC2)nc1F,WFQFEJJAASWEHE-UHFFFAOYSA-N
-rxn:5:196858:222959:225683,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCCOC3)nc2C)ccc1C1CCNCC1,PAWGOZAHVZAPOE-UHFFFAOYSA-N
-rxn:5:196858:226686:225656,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1cncc(N2CCCCC2C)c1,JZRVRKGWECWQSK-UHFFFAOYSA-N
-rxn:5:196873:226374:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1cncnc1C1CCCCC1,CBXXCAQVVIIGRT-UHFFFAOYSA-N
-rxn:5:196917:225985:226412,CC1(C)COC(c2cc(-c3cc(F)cc(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,UBCWEHMCQHNWDV-UHFFFAOYSA-N
-rxn:5:196917:225985:226420,CC1(C)COC(c2cc(-c3ccc(F)c(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WAFOGBXXQQJLGD-UHFFFAOYSA-N
-rxn:5:196917:226412:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(F)cc(N3CCCC3)c2)=N1,BYCQMGYDUXWCNH-UHFFFAOYSA-N
-rxn:5:196917:226420:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(F)c(N3CCCC3)c2)=N1,DYXBXQSKSYYSOE-UHFFFAOYSA-N
-rxn:5:196919:225985:226420,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(F)c(N3CCCC3)c2)=N1,BXZZFABKVXMEPJ-UHFFFAOYSA-N
-rxn:5:196919:226412:225985,CC1(C)COC(c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DDXOHKOGUSUHMY-UHFFFAOYSA-N
-rxn:5:196919:226420:225985,CC1(C)COC(c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,MYLHBYPOVVVPLD-UHFFFAOYSA-N
-rxn:5:196922:225666:225986,O=C1CCCCN1c1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,LOIXFZIEXHBEHN-UHFFFAOYSA-N
-rxn:5:196922:225679:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,QODSNZWFYCDTCG-UHFFFAOYSA-N
-rxn:5:196922:225986:226412,O=C1CCCCN1c1cc(-c2cc(F)cc(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,MQHADZIIWWXGEH-UHFFFAOYSA-N
-rxn:5:196923:226412:225986,O=C1CCCCN1c1ccc(-c2cc(F)cc(N3CCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,VYDJKKYFWIOHDC-UHFFFAOYSA-N
-rxn:5:196971:223132:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(N3CCNCC3)c2)ncc1C1CCCCC1,VVJOUFNLGUUUKY-UHFFFAOYSA-N
-rxn:5:196977:225462:225985,CC1CCN(c2cccc(-c3ccc(N4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,XQYWPRDZXREEJC-UHFFFAOYSA-N
-rxn:5:196977:225470:225985,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,XTKBOSHVILNARA-UHFFFAOYSA-N
-rxn:5:196978:225462:225985,CC1CCN(c2cccc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)CC1,WGJZLURPZROTQE-UHFFFAOYSA-N
-rxn:5:196978:225470:225985,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)cc2)CC1,BWLGDLJQUVSHNF-UHFFFAOYSA-N
-rxn:5:196978:225985:225470,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)cc2)CC1,DYWQYQWIBOYRBO-UHFFFAOYSA-N
-rxn:5:197169:225833:225985,N#CC1=Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,LWPUBHCVOBKQSU-UHFFFAOYSA-N
-rxn:5:197169:225833:225987,N#CC1=Cc2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZLVXRQZICHGPSO-UHFFFAOYSA-N
-rxn:5:197169:225985:225677,N#CC1=Cc2cc(-c3ccc(C4CCCCC4)nc3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,NHAYPHCYWZWITD-UHFFFAOYSA-N
-rxn:5:197169:225985:225833,N#CC1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,CHAIUFRZSPCHIT-UHFFFAOYSA-N
-rxn:5:197169:225986:226426,CC1CCN(c2ccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)s2)CC1,HMSDBHBRBJGHMO-UHFFFAOYSA-N
-rxn:5:197876:223113:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,AGXPOQWIPUCKRN-UHFFFAOYSA-N
-rxn:5:197876:223113:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GAQQFCUNRXGAAO-UHFFFAOYSA-N
-rxn:5:197876:223113:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,PQVJSHIBYDMZOW-UHFFFAOYSA-N
-rxn:5:197876:225880:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1cc(C3CCOCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DILTWRNJORLYOT-UHFFFAOYSA-N
-rxn:5:197876:229169:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cscc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,JNBSXSBRVWMMGI-UHFFFAOYSA-N
-rxn:5:227907:178295:227529,CCC(C)c1cncc(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MSAZYDDEQMXGRB-UHFFFAOYSA-N
-rxn:5:227909:178295:227069,CCC(C)c1cc(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,UPNQJTDZLMHOSA-UHFFFAOYSA-N
-rxn:5:227912:178295:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,UXVJCVOIEBYNCN-UHFFFAOYSA-N
-rxn:5:227921:178295:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2cccc(C(C)OC)c2)CCC(=O)CC1,GLQUFDSZWLBMAH-UHFFFAOYSA-N
-rxn:5:227922:178295:227075,CCc1cc(OC)ccc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,KFGJCYVWNPBGEA-UHFFFAOYSA-N
-rxn:5:227933:178295:227764,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)c(C(F)F)c(F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,WIIGPSZOKHQRAC-UHFFFAOYSA-N
-rxn:5:227939:178295:227209,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)O4)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,CQVMOHYAPZEKNP-UHFFFAOYSA-N
-rxn:5:227940:178295:227311,CCc1cc(SC)cc(-c2ccc(-c3cnc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KXXDKBFRZCZIPX-UHFFFAOYSA-N
-rxn:5:227940:178295:227353,CCc1cc(SC)cc(-c2ccc(-c3c(C)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,USTYAPRNQKJLPR-UHFFFAOYSA-N
-rxn:5:227946:178295:227039,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)cc3)ccc2-c2ccc(C(C)(C)C)nc2)CCC(=O)CC1,RFNLGGITEPUYSK-UHFFFAOYSA-N
-rxn:5:227953:178295:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2ccc(N(C)C)cc2C)CCC(=O)CC1,LPKIUQQYLSPUFG-UHFFFAOYSA-N
-rxn:5:227957:178295:227126,COC(=O)C1(c2cc(-c3ccc(C4CCOC4)cc3)ccc2-c2ccc(C(C)C)nc2C)CCC(=O)CC1,DDRXLWGCEDRAQX-UHFFFAOYSA-N
-rxn:5:227970:178295:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,OBDJTPWJQBBOQR-UHFFFAOYSA-N
-rxn:5:227974:178295:226190,COC(=O)C1(c2cc(-c3ccc(C4CCCC4)cc3F)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,LUEYQFNCWXPTJB-UHFFFAOYSA-N
-rxn:5:227974:178295:226907,COC(=O)C1(c2cc(-c3cccc4c3CCC43CC3)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,ZTMKLNSONWTTPL-UHFFFAOYSA-N
-rxn:5:227974:178295:227529,COC(=O)c1ccc(-c2ccc(-c3c(C)cc(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,QQOVQMQYSZQWBD-UHFFFAOYSA-N
-rxn:5:227989:178295:227298,CC#Cc1ccc(F)c(-c2ccc(-c3cc(F)ccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MJGYMZLSBZTAQW-UHFFFAOYSA-N
-rxn:5:227998:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc(F)cc2C2CC2)CCC(=O)CC1,IHEGAFQERRFNES-UHFFFAOYSA-N
-rxn:5:228000:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,BTCPLKIJWZVYOI-UHFFFAOYSA-N
-rxn:4:173435:222818,COC(=O)c1cc(OC)c(-c2cc(C(=O)OC)c(NC(C)=O)cc2F)c(OCC2CC2)c1,VMGIPFATHYOOEP-UHFFFAOYSA-N
-rxn:4:173509:224420,Cc1cc2c(cc1-c1cc(OCC3CC3)cc(C(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,FVTAXUBVJCLDAG-UHFFFAOYSA-N
-rxn:4:173575:226025,CC1(C)COC(CCCCC(=O)c2ccc(-c3cnc(OC4CCOC4)nc3Cl)cc2)OC1,YYMHMMBCLYVOLB-UHFFFAOYSA-N
-rxn:4:173590:223075,CCCCOc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,NBELUXQKUXCPDJ-UHFFFAOYSA-N
-rxn:4:173636:225758,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccncc3C(=O)OC(C)(C)C)ccc1OC)C2=O,RDUWIVQTTRKDFA-UHFFFAOYSA-N
-rxn:4:173650:223866,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)c1)C2=O,KQZVVJMZLAULLY-UHFFFAOYSA-N
-rxn:4:173656:222867,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc1)C2=O,IBJVOFCGRVFXEO-UHFFFAOYSA-N
-rxn:4:173699:224420,COc1ccccc1C=CC=C1Oc2cc(OCc3ccc(-c4cc5c(cc4C)C(C)(C)CCC5(C)C)cc3)ccc2C1=O,JJOHYUGBHKTGMR-UHFFFAOYSA-N
-rxn:4:173723:222811,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(Cl)n1,JWGZAORLTDYKFD-UHFFFAOYSA-N
-rxn:4:173723:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1,KAHJCFDCLNGKQA-UHFFFAOYSA-N
-rxn:4:173723:223541,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,RBWSBYGIENVQEI-UHFFFAOYSA-N
-rxn:4:173723:223695,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,DHMNSAPBNYPRDT-UHFFFAOYSA-N
-rxn:4:173763:222546,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1,KZVHOEZBWWSZIS-UHFFFAOYSA-N
-rxn:4:173763:223573,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,DBALPUBXCSMUTL-UHFFFAOYSA-N
-rxn:4:173763:223575,COC(=O)C(=O)CC(=O)c1ccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,DWVVSTPTVGDPER-UHFFFAOYSA-N
-rxn:4:173763:223815,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1,CBCINDOBUQKZDU-UHFFFAOYSA-N
-rxn:4:173763:223867,COC(=O)C(=O)CC(=O)c1ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)cc1,GCMCUJOWBMGKBE-UHFFFAOYSA-N
-rxn:4:173763:223888,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,AQNTVMNMJFVQQG-UHFFFAOYSA-N
-rxn:4:173763:223889,COC(=O)C(=O)CC(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc1,KJHOHBWDFYBNIE-UHFFFAOYSA-N
-rxn:4:173763:223903,COC(=O)C(=O)CC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)cc1,FMEGTCXYJHFVIX-UHFFFAOYSA-N
-rxn:4:173797:224681,COC(=O)c1c(F)cc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cc1OCC(F)(F)F,NHPLZPSJMFRMHK-UHFFFAOYSA-N
-rxn:4:173799:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)CC1,IYLVJIJFTBKIAP-UHFFFAOYSA-N
-rxn:4:173802:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,YLEMSUJRYKTNCR-UHFFFAOYSA-N
-rxn:4:173802:222968,CC(C)CNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,XIFBGKXANQZMEK-UHFFFAOYSA-N
-rxn:4:173802:223009,O=S(=O)(OC(c1ccc(-c2cc(Cl)cc(C3CCNCC3)c2)cc1)C(F)(F)F)C(F)(F)F,IRNYLHHHPWEDCL-UHFFFAOYSA-N
-rxn:4:173802:223099,O=C(Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)C(F)(F)F,SOUNUKNOHSQXSX-UHFFFAOYSA-N
-rxn:4:173802:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,PRUCQDDSNLAAHG-UHFFFAOYSA-N
-rxn:4:173802:223836,COc1ncnc2c1cc(-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1)n2C(=O)OC(C)(C)C,WZHLJMTZTIUPTB-UHFFFAOYSA-N
-rxn:4:173802:223993,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,LNADALHORMDFLX-UHFFFAOYSA-N
-rxn:4:173802:224101,CC1CCN(CCOc2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,WQNNFWFGWWYGAV-UHFFFAOYSA-N
-rxn:4:173802:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2C1,DYHKEXCKQXHXIK-UHFFFAOYSA-N
-rxn:4:173802:224634,COc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1CN1CCOCC1,GRZKNIDATWLDTD-UHFFFAOYSA-N
-rxn:4:173802:225462,CC1CCN(c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,CLKBRVXSYJYUHF-UHFFFAOYSA-N
-rxn:4:173802:225545,CC(C)COC(=O)c1ccccc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,QCVXWDCCMMJXJF-UHFFFAOYSA-N
-rxn:4:173802:225566,CC1(COc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)COC1,IXPPYKPKKQQAIU-UHFFFAOYSA-N
-rxn:4:173802:225639,CC1CCN(c2ncccc2-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)CC1,NJESOALOWRJNLP-UHFFFAOYSA-N
-rxn:4:173802:225656,CC1CCCCN1c1cncc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,KLWYTUGPZAETOR-UHFFFAOYSA-N
-rxn:4:173802:225724,CN(C)CCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1F,KMVBIKLZTYQIRP-UHFFFAOYSA-N
-rxn:4:173802:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,MXSAZGDPTGHBCC-UHFFFAOYSA-N
-rxn:4:173804:225305,FC(F)(F)c1ccc(OCC(F)(F)C(F)(F)F)c(-c2cnc(C3CCC3)c(C(F)(F)F)c2)c1,GYIKZAGHSVNHDR-UHFFFAOYSA-N
-rxn:4:173817:223506,COCCCOc1ccccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,KTSVMRIIGRWYJY-UHFFFAOYSA-N
-rxn:4:173914:223790,COC(=O)CC(=O)c1ccc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c(OC)c1,QRAHQOJWICHLHE-UHFFFAOYSA-N
-rxn:4:174072:222394,CC(C)OCc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c1,YUOGHHOZAAQITJ-MXVIHJGJSA-N
-rxn:4:174099:222703,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)cc1CC,KMUSPIMRILRSSL-UHFFFAOYSA-N
-rxn:4:174164:224397,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1F,UNRARTZPCRERCI-UHFFFAOYSA-N
-rxn:4:174369:223504,COc1ccc(C(=O)Oc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2C(C)=O)cc1,UEPZHBFGGGTRMK-UHFFFAOYSA-N
-rxn:4:174373:224322,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)ccc1S(=O)(=O)c1ccccc1C(F)(F)F,FAARMBWCXKBUMT-UHFFFAOYSA-N
-rxn:4:174378:224589,COc1ccc(-c2ccc(F)cc2CN2CCC(C)CC2)cc1OCCC1OCCCO1,RYFOSYXKAZFDPX-UHFFFAOYSA-N
-rxn:4:174428:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)cc1,WZNMNCMZISFVLY-UHFFFAOYSA-N
-rxn:4:174520:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(S(C)(=O)=O)c3)c2)s1,YMYGEGYWLOIBBK-UHFFFAOYSA-N
-rxn:4:174521:224612,CC(C)(C)OC(=O)c1cc(-c2ccc(OCCN3CCOCC3)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)c1,OICTXMGNXADVJB-UHFFFAOYSA-N
-rxn:4:174522:224992,CC(C)[Si](C#Cc1ccc(-c2ccccc2CN2CCC(=O)CC2)cc1)(C(C)C)C(C)C,SKVPBWMOHDDIMU-UHFFFAOYSA-N
-rxn:4:174524:222718,COc1cc(C=Cc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2C)c(C(F)(F)F)cc1C1OCCO1,VZZSWTSCYCZDSH-UHFFFAOYSA-N
-rxn:4:174528:222878,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(F)c(C(=O)NC(C)(C)C)c1,PVLLNKNYAYLMRT-UHFFFAOYSA-N
-rxn:4:174580:223985,COc1ccc(-c2ccccc2Oc2c(C(F)(F)F)oc3cc(OC(C)=O)ccc3c2=O)cc1S(=O)(=O)N1CCCCC1,GPGYVQPRQALLIW-UHFFFAOYSA-N
-rxn:4:174593:224424,CCCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,IORDJQRDMOYNOL-UHFFFAOYSA-N
-rxn:4:174649:222843,COc1ccc(-c2ccc(C)cc2C(=O)NC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,INVQJWMYQHZCLA-UHFFFAOYSA-N
-rxn:4:174649:225448,COc1ccc(-c2cc(C)ccc2OC2CCCC2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,KECLKBJJLWVOKK-UHFFFAOYSA-N
-rxn:4:174655:225570,CCCCCOc1cc2c(cc1-c1cc(C(=O)OC)ccc1C1CC1)C(C)(C)CCC2(C)C,NSHMPYWUVGUODF-UHFFFAOYSA-N
-rxn:4:174655:226486,CCCCCOc1cc2c(cc1-c1ccc(OCC(=O)OC)cc1)C(C)(C)CCC2(C)C,JRZNLSOSJHWJCF-UHFFFAOYSA-N
-rxn:4:174656:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1,CTNUZULMTUFHMM-UHFFFAOYSA-N
-rxn:4:174742:223640,CCOC12C(=O)c3cc(F)cc(-c4c(OCC(F)(F)F)cccc4C(F)F)c3C(=O)C1C2(C)C,SPYSWBMBBNURLO-UHFFFAOYSA-N
-rxn:4:174750:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(Cl)c(OCC(F)(F)C(F)(F)F)c3)cc2C1,GVLYGBKJYHLWIL-UHFFFAOYSA-N
-rxn:4:175001:223559,CCOc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(=O)OC,LWYFQRUEOSPUQJ-UHFFFAOYSA-N
-rxn:4:175265:223842,CCS(=O)(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1C(=O)OC,ZCBOGFIEXJANBE-UHFFFAOYSA-N
-rxn:4:175428:222604,COc1ccc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc1S(=O)(=O)NC1CCCC1,UHXDGDHJWJZSDI-UHFFFAOYSA-N
-rxn:4:175457:223598,Fc1cc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)ccc1OCCN1CCC2(CC1)OCCO2,RGKIBNGIEJJKBE-UHFFFAOYSA-N
-rxn:4:175496:223712,CCc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C)c1CC(=O)OC,RYVIORDYZZICEN-UHFFFAOYSA-N
-rxn:4:175603:222699,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)c(C(F)(F)F)c1,OKHIPYARMVRIHH-UHFFFAOYSA-N
-rxn:4:175727:224194,CCN1CCN(Cc2ccc(-c3cc(Cl)ccc3OCCC3OCCCO3)cc2Cl)CC1,HDUNTZSAOPVHCK-UHFFFAOYSA-N
-rxn:4:175918:225186,Fc1ccc(-c2ccc(OCC3CCOCC3)cc2C(F)(F)F)cc1CN1CCSCC1,ZJQZQHZGNVVRCC-UHFFFAOYSA-N
-rxn:4:175988:222717,Cc1cc(-c2c(OCC3CCCCC3)cccc2C(F)F)c(S(=O)(=O)NC(C)(C)C)cc1F,VBHIVODKZFKMJF-UHFFFAOYSA-N
-rxn:4:176160:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3-c3ccc(OCC4CCOCC4)cc3)c(F)c2)CC1,XNQNIOIQUCPRII-FBSWEULCSA-N
-rxn:4:176271:222651,CC(C)=CCOc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)c1)C2=O,AJPGMOUIAYZHDM-UHFFFAOYSA-N
-rxn:4:176294:224967,COC(=O)c1cc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)cc(C(C)(C)C)c1,RDOHMZVTEAYCBV-UHFFFAOYSA-N
-rxn:4:176308:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4C=C4Oc5cc(OC(=O)C6CCCCC6)ccc5C4=O)c3)cccc12,DBJYIBNZMNKCFM-UHFFFAOYSA-N
-rxn:4:176429:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1ccc(C(F)(F)F)c(OC(F)F)c1,SVILOOWDVGZJOD-UHFFFAOYSA-N
-rxn:4:176727:223784,CCN1CCN(CCOc2ccc(-c3cc(F)c(C(F)(F)F)c(C(=O)OC)c3)cc2F)CC1,UNSSNTLQIQFMHT-UHFFFAOYSA-N
-rxn:4:176796:223559,COc1ccc(OC(C)=O)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,JPKIJHMOWHLGRV-UHFFFAOYSA-N
-rxn:4:178123:223892,COC(=O)c1c(F)cc(C(C)(C)C)cc1-c1ccc(OCCCN2CCN(C)CC2)cc1,RXOMGUFRKQXSBQ-UHFFFAOYSA-N
-rxn:4:178152:224399,FC(F)(F)c1cc(OC2CCOCC2)cc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)c1,FKDHHTQNIUWGRS-UHFFFAOYSA-N
-rxn:4:178371:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1,XYGMMMGQKQDDBN-UHFFFAOYSA-N
-rxn:4:178372:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(CC2CC(C(C)(C)C)CCC2=O)cc1,ZUMPMGNTLXLUDR-UHFFFAOYSA-N
-rxn:4:178372:224420,Cc1cc2c(cc1-c1ccc(CC3CC(C(C)(C)C)CCC3=O)cc1)C(C)(C)CCC2(C)C,BLPMEMIGESLHHB-UHFFFAOYSA-N
-rxn:4:178384:224143,COc1cccc(OC)c1-c1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,LDPIVLMWSMSIQB-UHFFFAOYSA-N
-rxn:4:178384:227019,CC(C)(C#N)c1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,PHPQNMLQNGTHAJ-UHFFFAOYSA-N
-rxn:4:178384:228848,Cc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,TVAKYZDOHILAHS-UHFFFAOYSA-N
-rxn:4:178384:229018,Cc1ccnc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DLKUGGPBTITPJX-UHFFFAOYSA-N
-rxn:4:178597:226443,Cc1nc(-c2cccs2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,YOSGOLNPANKODR-UHFFFAOYSA-N
-rxn:4:178597:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,VYQORHXZJINLAB-UHFFFAOYSA-N
-rxn:4:178598:224878,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2COC2CCCCC2)c1,JRNZMFXSFJHZDV-UHFFFAOYSA-N
-rxn:4:178600:223525,CC(C)c1cc(-c2c3ccccc3cc3ccccc23)cc(C(C)C)c1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,WOOUHTCTFKDYRX-UHFFFAOYSA-N
-rxn:4:178600:223562,CC(C)c1cc(-c2c3ccccc3cc3ccccc23)cc(C(C)C)c1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,CRJJISBQQBMYLC-UHFFFAOYSA-N
-rxn:4:178811:223493,COC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1,NOPWXJXAHIPREV-UHFFFAOYSA-N
-rxn:4:179653:222742,FS(F)(F)(F)(F)c1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc(S(F)(F)(F)(F)F)c1,PLVRWWJVVOUITH-UHFFFAOYSA-N
-rxn:4:180272:223841,Cc1cc(F)c(-c2cccc(SC3CCCCC3=O)c2)cc1S(=O)(=O)N1CCN(C)CC1,NCFJVIWVBSYMOK-UHFFFAOYSA-N
-rxn:4:180447:224665,CN1CCN(Cc2cc(F)ccc2-c2ccccc2CC2C(=O)OC(C)(C)OC2=O)CC1,HUCSAQSCBDUZLF-UHFFFAOYSA-N
-rxn:4:180493:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc(C2CCCCO2)c(C2CC2)c1,KTMISSHEQJPINR-UHFFFAOYSA-N
-rxn:4:180508:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(SC3C(=O)CC(C)(C)CC3=O)cc2)cc1,IJTSWYHABUFDIL-UHFFFAOYSA-N
-rxn:4:180534:222684,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)o2)C(=O)O1,SIARMLPROURDDX-UHFFFAOYSA-N
-rxn:4:180604:223712,COC(=O)C1COc2c(F)cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc21,KFSPIIVBQLCWHO-UHFFFAOYSA-N
-rxn:4:180610:222615,CC(C)Cc1cc(-c2ccc3c(c2)CC(C(=O)C(F)(F)F)C3=O)cc(C2CCNCC2)c1,YJRIBWDGAUSPDV-UHFFFAOYSA-N
-rxn:4:180699:223699,COC(=O)C1OCCc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cccc21,HRBQAKXZCORUAH-UHFFFAOYSA-N
-rxn:4:180792:223814,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc1C2=O,XXUPAPIMHVRIDB-UHFFFAOYSA-N
-rxn:4:180792:224265,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cc1C2=O,IMWWNXWJLJSFID-UHFFFAOYSA-N
-rxn:4:180815:222742,COc1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,SOWHTCBBVJZSIB-UHFFFAOYSA-N
-rxn:4:180815:225171,COc1ccc(-c2cc(F)cc(CN3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,UKLWVRDAVDEKGN-UHFFFAOYSA-N
-rxn:4:180856:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cccc2c1-c1ccccc1C21c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21,ZCPVMJDDZODHTR-UHFFFAOYSA-N
-rxn:4:181465:223489,COc1c(C)ccc(F)c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,BRTPRPVKCYEVCZ-UHFFFAOYSA-N
-rxn:4:181921:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4COCCO4)c(F)c3)cc2)CC1,YUEVFFNKJKUFKH-UHFFFAOYSA-N
-rxn:4:182230:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cc(C(F)(F)F)cc3c2OCCC3=O)c1F,BOKAMITXXNZSPS-UHFFFAOYSA-N
-rxn:4:182324:223559,COc1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c(c1C)C(=O)CCC2,VUZRLIPKQVZXJC-UHFFFAOYSA-N
-rxn:4:182324:223712,COc1ccc(-c2cc3c(c(C)c2OC)C(=O)CCC3)cc1C12CC3CC(CC(C3)C1)C2,DNDBUFMAXMZGQF-UHFFFAOYSA-N
-rxn:4:182354:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c2c1OC1(CCCC1)C2,NRBDCHCJLAMNNC-UHFFFAOYSA-N
-rxn:4:182371:223904,CC(C)c1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc2c1OC(C)(C)CC2,YHROMGLBSAFDPB-UHFFFAOYSA-N
-rxn:4:182376:223884,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3C2=O)C[C@@H]1C,NPAPPJAXJUYOGQ-QMEWRSTKSA-N
-rxn:4:182376:224877,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(COC5CCCCC5)cc4)cc3C2=O)C[C@@H]1C,FVWKWQXIBKNWFM-CAKCGFARSA-N
-rxn:4:182376:224886,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(C)CC5)cc4)cc3C2=O)C[C@@H]1C,DOWXQFJBMLMLDK-FWROBWRPSA-N
-rxn:4:182376:225498,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCCCC5)ccc4F)cc3C2=O)C[C@@H]1C,DWQYDADPKIHZBB-UBHXRJOGSA-N
-rxn:4:183272:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1,GEJUWXSSPXCUAT-UHFFFAOYSA-N
-rxn:4:183273:225931,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(S(=O)(=O)N(C)C)c1,BMWPZDABHGPMQO-UHFFFAOYSA-N
-rxn:4:183481:222540,CCOC(=O)C(=O)Cc1c(-c2cccc(C(=O)NCCN3CCCCC3)c2)cccc1[N+](=O)[O-],DKABCKYCPAOQQD-UHFFFAOYSA-N
-rxn:4:183518:224487,CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1-c1cccc(OCCN2CCCCC2)c1,TYJFAESXQHCNHG-UHFFFAOYSA-N
-rxn:4:183521:222928,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1cnc(N2CCC(O)CC2)nc1C,FHIQXSDRLLRICB-UHFFFAOYSA-N
-rxn:4:183602:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC(F)(F)F)cc1OCCN(C)C,CCSBLFFVDQIRKK-UHFFFAOYSA-N
-rxn:4:183639:222424,COC(=O)C(C)(C(=O)OC)c1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1[N+](=O)[O-],FKWLXBABHUOKDP-UHFFFAOYSA-N
-rxn:4:183639:224612,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1[N+](=O)[O-],ACXNTWYPFUETPD-UHFFFAOYSA-N
-rxn:4:183641:222540,O=C(CCOc1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1)ON1C(=O)CCC1=O,CTEBCTRMOSSQRL-UHFFFAOYSA-N
-rxn:4:183642:223591,CN(C(=O)COC(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)o1)c1ccccc1,SVNMGXQWRHDAQO-UHFFFAOYSA-N
-rxn:4:183662:222817,CCN(CC)Cc1ccc(OC(F)(F)F)c(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)c1,WETSMMKLYDTZPF-UHFFFAOYSA-N
-rxn:4:183669:225894,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cccc(COCC(F)(F)F)c3)o2)C1,GXTXGUGPUHNCSF-UHFFFAOYSA-N
-rxn:4:183704:222634,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1F,WAFDFVQSQBMVDD-FQEVSTJZSA-N
-rxn:4:183723:225764,CCCOc1c(F)c(C)cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)c1F,SDNANZHVZZTADX-UHFFFAOYSA-N
-rxn:4:183730:224246,CC1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCOCC3)cc2F)CC1,UCFLOSZFVRLFEK-UHFFFAOYSA-N
-rxn:4:183753:223840,COC(=O)CN(c1cccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1)S(=O)(=O)c1ccccc1,WOLGZFPIVZCGMK-UHFFFAOYSA-N
-rxn:4:183760:222945,COCCOc1cc(-c2ccc(S(=O)(=O)NC(C)C)c(F)c2)ccc1C(=O)N1CCCC1,FJZUOCOBCDWWHN-UHFFFAOYSA-N
-rxn:4:183787:224842,CCN(Cc1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1Cl)C(=O)OC(C)(C)C,CPSFYGQATIPHML-UHFFFAOYSA-N
-rxn:4:183828:226023,CC(C)(C)OC(=O)N(Cc1cc(F)cc(-c2ccc(Cl)c(OCC(F)F)c2F)c1)C1CC1,CHNBCTPVFOFUPC-UHFFFAOYSA-N
-rxn:4:183837:225833,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)CC1,CBQZDXDVQKGKQQ-UHFFFAOYSA-N
-rxn:4:183841:223559,CCN(CC)C(=O)c1ccc(Oc2ccccc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ITVZYJWDGLSOML-UHFFFAOYSA-N
-rxn:4:183862:222424,COC(=O)CN1CCC(COc2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2)CC1,WKCAEVALVGJTEI-UHFFFAOYSA-N
-rxn:4:183872:226001,COCCOc1cc(-c2ccc(OC(F)(F)F)c(C#N)c2)ccc1C(=O)N1CCCCC1,VKLYJJBTDINLPT-UHFFFAOYSA-N
-rxn:4:183894:226844,O=C(c1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YESQVPXRZIWYKE-UHFFFAOYSA-N
-rxn:4:183903:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)c2ccccc12,NWBGAGPEYRZTGV-UHFFFAOYSA-N
-rxn:4:183908:223506,CCCCN(C(=O)c1cccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C1CCS(=O)(=O)C1,ZNVABZFTHADFIK-UHFFFAOYSA-N
-rxn:4:183921:224683,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)c(C)c1,TXVRXSFAKKCXSY-UHFFFAOYSA-N
-rxn:4:183965:222424,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,JLENYDHWXNHMNI-UHFFFAOYSA-N
-rxn:4:183968:227368,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3ccc(Cl)c(OC4CC4)c3)c2)C1,GCPZLGDQBJUEQS-UHFFFAOYSA-N
-rxn:4:183980:222632,CCOc1cc(C=C2N=C(c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3)OC2=O)ccc1OC(C)=O,LLHVOXZNAGDAMC-UHFFFAOYSA-N
-rxn:4:183980:223093,CCOc1cc(C=C2N=C(c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)OC2=O)ccc1OC(C)=O,DQARSLQRDMHKRS-UHFFFAOYSA-N
-rxn:4:183984:223036,Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,ZEBUJKHOUMSFPD-UHFFFAOYSA-N
-rxn:4:183985:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)cc1C,YHQFLSSTAPBWQP-UHFFFAOYSA-N
-rxn:4:183989:224575,CC1CCN(c2ccc(-c3cc(F)cc(F)c3CC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C#N)c2)CC1,ZGAGJKCAYMOEHO-MHZLTWQESA-N
-rxn:4:184001:225148,COC(=O)C1(c2ccc(-c3ccc(-n4cc(C)cn4)cc3OC)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,AWLCNOHVPROZPC-UHFFFAOYSA-N
-rxn:4:184003:222845,CC(c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)cc1)N1CCNCC1,AHGHIRFIHQLZED-UHFFFAOYSA-N
-rxn:4:184021:226897,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(OCC(F)(F)F)nc1)C1CCOCC1,CCZGLSHWYDAANR-UHFFFAOYSA-N
-rxn:4:184027:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MMEHURYXOMCSIX-UHFFFAOYSA-N
-rxn:4:184034:226864,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(F)c(OC(F)F)c(F)c3)c(C)cc2OC)CC1,JWKWLYGSECECDR-UHFFFAOYSA-N
-rxn:4:184054:224145,Cc1cc(OCc2ccccc2)c(F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)cc2)c1,YZFHZJKJZOVLPV-UHFFFAOYSA-N
-rxn:4:184058:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCCC(COCc4ccccc4)C3)cc2)s1,COCSZUBEMKVXHR-UHFFFAOYSA-N
-rxn:4:184071:227110,Cc1cc(Cl)c(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CC1,NILNZPXJZJEGCO-UHFFFAOYSA-N
-rxn:4:184076:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,FCGUNTMOTRQICM-UHFFFAOYSA-N
-rxn:4:184096:227349,COc1cc(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1OC,NRYRBTVAPJLORQ-UHFFFAOYSA-N
-rxn:4:184096:227935,CCc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1OC,KIOUGHNYKWWCGX-UHFFFAOYSA-N
-rxn:4:184099:223075,CC(c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,FTHAUNHRYJAHLY-UHFFFAOYSA-N
-rxn:4:184099:223819,CC(c1ccc(-c2cc3cnccc3n2S(=O)(=O)c2ccccc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ZXQOMBMBGFTRSL-UHFFFAOYSA-N
-rxn:4:184099:225064,Cc1ccccc1-c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cnc1Cl,VNUWSFLVVCGVJX-UHFFFAOYSA-N
-rxn:4:184099:228976,CC(c1ccc(-c2ccc3c(c2)C=C3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,JARIYWWEDOINFX-UHFFFAOYSA-N
-rxn:4:184099:229010,CC(C)c1csc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,QOYVCOXJKTXQLF-UHFFFAOYSA-N
-rxn:4:184125:225735,CCOc1cc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)cc(Cl)c1OCC,XDNJXNVSDZPLJI-UHFFFAOYSA-N
-rxn:4:184134:224767,CCOC(=O)c1c(-c2cccc(C(=O)N3CCOCC3)c2F)c2ccccc2n1C(=O)OC(C)(C)C,HYDQOSQMLAFEEB-UHFFFAOYSA-N
-rxn:4:184167:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)cc1,CHUSXBAZWAKWLU-UHFFFAOYSA-N
-rxn:4:184183:224346,COc1ccc(-c2cccnc2-c2cccc(C(F)(F)F)c2)cc1CCC(=O)N1C2CCC1CC(SC)C2,WTTGELXYCNEWHE-UHFFFAOYSA-N
-rxn:4:184187:225723,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccc(OCCN(C)C)c(Cl)c3)ccc2S1(=O)=O,RRJWLLXKWKFNRC-UHFFFAOYSA-N
-rxn:4:184249:222709,CC(C)(C)NC(=O)c1cc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)cc([N+](=O)[O-])c1,FZNFPKWWTKVUDN-UHFFFAOYSA-N
-rxn:4:184312:225747,Cc1ccc(-c2cccc([N+](=O)[O-])c2OC(C(F)(F)F)C(F)(F)F)n1C(=O)OC(C)(C)C,HBLWTMQWKFOQFM-UHFFFAOYSA-N
-rxn:4:184441:222718,COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,JNUVHPWYASDMKA-UHFFFAOYSA-N
-rxn:4:184486:223953,CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(-c2cc(F)cc(N3CCN(CCOC)CC3)c2)c1,OMWZNYGWKQVNBB-UHFFFAOYSA-N
-rxn:4:184706:224017,CCCCOc1c(C)cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1[N+](=O)[O-],SVJUMVWYRXXKSQ-UHFFFAOYSA-N
-rxn:4:184714:223498,COCCS(=N)(=O)c1cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OC,YNPFBNQUXMEFJE-UHFFFAOYSA-N
-rxn:4:184819:222539,CC(C)(C)OC(=O)CCc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)nc1,MQEUSEWJDOFTAT-UHFFFAOYSA-N
-rxn:4:184845:224773,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,FLOOCDYGJCNEHD-UHFFFAOYSA-N
-rxn:4:184882:222524,O=C(Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1OC(F)(F)F)N1CCCC1,ROLQLNWWJQOIBJ-UHFFFAOYSA-N
-rxn:4:184894:225227,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)c2)SC1=S,GXOHIWUVEQPPLR-UHFFFAOYSA-N
-rxn:4:184943:224011,CCN(CC)C(=O)C1(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,HNCBWABWMIJLKR-UHFFFAOYSA-N
-rxn:4:184989:224401,CC(C)COc1cc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)ccc1C(=O)N1CCC1(F)F,PUXCESQUHIYPDV-UHFFFAOYSA-N
-rxn:4:185002:225562,CC(C)(C)OCc1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,AFZGPBWHODWAGN-UHFFFAOYSA-N
-rxn:4:185003:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc(OCC(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1,ZFASAZVWCJGVIF-UHFFFAOYSA-N
-rxn:4:185004:226016,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(OCC(F)(F)F)cc1Cl)N1CCCCC1,UGHBGFAUCZHZDI-UHFFFAOYSA-N
-rxn:4:185033:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccccc1OCC1CCCN(CC(F)F)C1,ZZLMGLSKOYGLLN-UHFFFAOYSA-N
-rxn:4:185117:225294,CCN1CCN(c2ncc(-c3cccc(S(=O)(=O)CC(=O)N4CCCC(C(F)(F)F)C4)c3)cn2)CC1,IBLBEYATICXQCX-UHFFFAOYSA-N
-rxn:4:185145:223008,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2)C1,NKEUKEQXZJLQTL-UHFFFAOYSA-N
-rxn:4:185150:226844,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,KRUOEBVUYZWUNA-UHFFFAOYSA-N
-rxn:4:185155:223835,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1CN1CCC(C(F)(F)F)CC1,KDIAMGQKKYKAAX-UHFFFAOYSA-N
-rxn:4:185158:223990,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1,KEYAXVNCDRJJKJ-UHFFFAOYSA-N
-rxn:4:185244:225664,CC(C)CN(C(=O)c1cccc(-c2ccc(N3CCCCC3)cc2Cl)c1)C1CCS(=O)(=O)C1,FEVZARPXRDSBEA-UHFFFAOYSA-N
-rxn:4:185248:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,JUTRPAYIWVGWJN-UHFFFAOYSA-N
-rxn:4:185260:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,MLSABWPDZJEEQU-UHFFFAOYSA-N
-rxn:4:185266:225559,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(OCC3CCOC3)cc2)cc1,HIWWCTQHQMDUSO-UHFFFAOYSA-N
-rxn:4:185269:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)(C(F)(F)F)C1,FMZVBUMCCUMVIE-UHFFFAOYSA-N
-rxn:4:185278:224462,O=C(c1cccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,DSLBVEZPSIRQKF-UHFFFAOYSA-N
-rxn:4:185288:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CC(=O)N4CCC(S(=O)(=O)c5ccc(Cl)cc5)C4)cc3)c2)CC1,LUXKORRZKSHMSZ-UHFFFAOYSA-N
-rxn:4:185297:222896,CCOc1ccc(C=C2SC(=S)N(c3cccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)c3)C2=O)cc1OC,FTQFZXIGQSYZRV-UHFFFAOYSA-N
-rxn:4:185298:224746,CCOc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)C2=O)cc1OC,GGNANTZOUGDXPV-UHFFFAOYSA-N
-rxn:4:185320:222684,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2Cl)CC1,NZOPFHHQXIHKGR-UHFFFAOYSA-N
-rxn:4:185321:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,KQKJDTQFIONAOK-UHFFFAOYSA-N
-rxn:4:185343:222684,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)C2=O)cc(OC)c1OC,OLJZTKKRAANMDL-UHFFFAOYSA-N
-rxn:4:185347:224011,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1OC,AJTUEARUAVPOQK-UHFFFAOYSA-N
-rxn:4:185352:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,PRUIARDCBXNLNU-UHFFFAOYSA-N
-rxn:4:185375:223055,Cc1nc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,QKPXWHCIDJJKTG-UHFFFAOYSA-N
-rxn:4:185377:223892,CN1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,DSBZQVNFGQBNHY-UHFFFAOYSA-N
-rxn:4:185382:223525,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(F)(F)F)CC1,DDQVJSCCCYKWIL-UHFFFAOYSA-N
-rxn:4:185385:228743,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cc(Cl)ccc3C#N)c2)CC1,KOSGPLRLYCOTSG-UHFFFAOYSA-N
-rxn:4:185388:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,OBGMALVGBDRJQD-UHFFFAOYSA-N
-rxn:4:185407:223035,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccnc1NC(=O)C(C)(C)C,OUTBCSSIRQIXIH-UHFFFAOYSA-N
-rxn:4:185440:223138,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)c(F)c2)CC1,BJSGPOYQPVWGTQ-UHFFFAOYSA-N
-rxn:4:185446:223284,CC(c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PWNFEYTZNGKOMS-UHFFFAOYSA-N
-rxn:4:185528:222694,O=S(=O)(CCN1CCc2ccccc2C1)Oc1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,NUBHXAKVBRPCOW-UHFFFAOYSA-N
-rxn:4:185548:225215,CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccnc(N5CCC(C)CC5)c4Cl)cc(C)c32)cc1OC,KIDWELZCPLLFAV-UHFFFAOYSA-N
-rxn:4:185569:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccc(C(C)(C)C)cc2)cc1,MDRDHCYCAULNDP-UHFFFAOYSA-N
-rxn:4:185587:222684,O=C(C1CCCCC1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,LNCYGEAURIYORT-UHFFFAOYSA-N
-rxn:4:185591:222935,COC(=O)C1=Cc2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc2N(Cc2ccc(OC)cc2)CCC1,MXEMGUMUXHFTKW-UHFFFAOYSA-N
-rxn:4:185626:225175,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2ccc(F)c(CN3CCOCC3)c2)O1,NAZGEZSAQXRIRL-VBTAUBHQSA-N
-rxn:4:185644:222474,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCc6ccccc6C)c5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,MKZNNIRGNANVHR-UHFFFAOYSA-N
-rxn:4:185899:223842,COC(=O)c1cc(C(F)(F)F)c(C#N)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,RQXMNXVVGHQGKC-UHFFFAOYSA-N
-rxn:4:185912:223728,CCCCCC1CCC(c2ccc(-c3ccc(C#N)c(C(=O)OC)c3C(F)(F)F)c(F)c2)CC1,IGZMTLXXIKKICF-UHFFFAOYSA-N
-rxn:4:186328:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)c(OCCN(C)C)cc1F,KGFIRQODMKZFDB-UHFFFAOYSA-N
-rxn:4:186368:223755,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1OC,DSZMZIWDSQOCKW-UHFFFAOYSA-N
-rxn:4:186629:223953,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(F)cc(N2CCN(CCOC)CC2)c1,ZXWLRVAHFYYPQU-UHFFFAOYSA-N
-rxn:4:186742:224974,CN1CCN(Cc2ccccc2-c2cc(OC(F)(F)F)cc(C(=O)N3CCCC3)c2)CC1,OYUOMFUGWUFGBJ-UHFFFAOYSA-N
-rxn:4:186749:226007,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(F)c(OCC(F)(F)F)c3)c2)SC1=S,MSVBIIPYXTYJQM-UHFFFAOYSA-N
-rxn:4:186807:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cc(OC(F)F)cc(C(=O)N3CCOCC3)c2)c1,DWFYXZSDUZGOKH-UHFFFAOYSA-N
-rxn:4:186856:223895,CCN1CCN(CCOc2ccc(-c3ccccc3CCC(=O)N3CCCC3)cc2)CC1,SIOIVSGZTDHUBG-UHFFFAOYSA-N
-rxn:4:186974:222439,O=C(COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)N1CCCCC1,HIKHOZSEMLIXJI-UHFFFAOYSA-N
-rxn:4:186999:222896,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c1,CCIZTXLSXRAIJX-UHFFFAOYSA-N
-rxn:4:187071:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(OC4CN(C(=O)C5CCC5)C4)cc3)cc2)CC1,BQIKKGQEJCEELV-UHFFFAOYSA-N
-rxn:4:187088:225995,N#Cc1ccc(OC(F)(F)F)c(-c2cc(Cl)cc(F)c2OCCN2CCC(F)(F)CC2)c1,RVCBMYUBHYHBSV-UHFFFAOYSA-N
-rxn:4:187092:224958,FC1(F)CCN(Cc2ccc(OC(F)(F)F)c(-c3cccc(OCC4CCCCO4)c3)c2)CC1,PEKFKZZPQJCGFG-UHFFFAOYSA-N
-rxn:4:187120:225191,COC(=O)C1CCCCN1C(=O)c1cccc(-c2cnc(OC3CCCCC3)cc2F)c1,OMCPNUJJTKRXLR-UHFFFAOYSA-N
-rxn:4:187123:224738,CCOc1cc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCOCC1,NLJFVNVDWNZLSP-UHFFFAOYSA-N
-rxn:4:187129:222913,O=C(CS(=O)(=O)c1ccccc1-c1ccc(CNS(=O)(=O)C2CC2)cc1)N1CCCCC1,RKLXRQYGFAHTPO-UHFFFAOYSA-N
-rxn:4:187142:222999,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cc(Cl)cc(C3CCCNC3)c2)SC1=S,CIDBWAMRQMAEBV-UHFFFAOYSA-N
-rxn:4:187151:223026,CCCNC(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCCC(C(F)(F)F)C2)cc1F,RTBKSJVQQFMNBZ-UHFFFAOYSA-N
-rxn:4:187183:224420,COC(=O)C1CCN(Cc2ccccc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1,NMYFSKHJQNXSAQ-UHFFFAOYSA-N
-rxn:4:187197:222612,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1CN1CCCCC1,UCLXYLLBMBHHMC-UHFFFAOYSA-N
-rxn:4:187276:223104,O=C(Nc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1)C(F)(F)F,SUUGDJFJMNEDAU-UHFFFAOYSA-N
-rxn:4:187276:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)c2)CC1,UUXQITODYPNBLA-UHFFFAOYSA-N
-rxn:4:187288:222655,CC1CN(CCCc2ccccc2-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)CCO1,GAKFPMILIVMENA-UHFFFAOYSA-N
-rxn:4:187290:223894,CC1CCN(CCOc2ccccc2-c2cccc(OCCCN3CCN(C)CC3)c2)CC1,KELDYZOPLCWRMW-UHFFFAOYSA-N
-rxn:4:187301:222465,COC1CCN(CCc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc2Cl)CC1,YOEQLVRZBZYJFV-UHFFFAOYSA-N
-rxn:4:187311:222584,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)C1,YQCGBHZQPABSQF-UHFFFAOYSA-N
-rxn:4:187349:222705,O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)C1,MSEZJRMNLWCCRW-UHFFFAOYSA-N
-rxn:4:187368:225261,CCN(C(=O)c1ccc(-c2cccc(S(=O)(=O)N(CC)CC)c2)c(Cl)c1)C1CCCCC1,KIFIQJZGHXFUDH-UHFFFAOYSA-N
-rxn:4:187374:225900,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3CN(C)C)c2)CC1,NJVCWFRFORRRRK-UHFFFAOYSA-N
-rxn:4:187389:223741,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(CN2CCCc3ccccc32)ccc1F,VCNIEUHQDPPRRJ-UHFFFAOYSA-N
-rxn:4:187408:224976,CC(CS(=O)(=O)c1ccc(-c2cccc(N3CCCCC3)c2C#N)cc1)N1CCCCC1,GMYQZWKWHIXUQI-UHFFFAOYSA-N
-rxn:4:187414:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1,FIEBRGIWVGLJIY-UHFFFAOYSA-N
-rxn:4:187416:225126,CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1cc(F)ccc1OCC1CCCO1,VHJOOECPBHHAOK-UHFFFAOYSA-N
-rxn:4:187418:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,APXYXGLBMOQHQR-UHFFFAOYSA-N
-rxn:4:187420:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C)cc1,KZMDZIBZMRGKHE-UHFFFAOYSA-N
-rxn:4:187447:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)CC2(F)F,CYMCGHYEJQEZBL-UHFFFAOYSA-N
-rxn:4:187453:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccccc4CN4CCCC4)cc3)c(F)cc2C)CC1,QHXRDYVQZHHGOM-UHFFFAOYSA-N
-rxn:4:187481:223667,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCc2ccccc2)cc1S(=N)(=O)CC1(C)CCOCC1,QFQYKTAPESGQGX-UHFFFAOYSA-N
-rxn:4:187483:224018,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c(OC)c1,WGMYAMFERRJCJG-UHFFFAOYSA-N
-rxn:4:187483:224818,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(OC)c1,HXLCGPMCYRAWEN-UHFFFAOYSA-N
-rxn:4:187499:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(OC)c(C(=O)N2CCCC(C)C2)c(OC)c1,CPOXVLUZAOHTJE-UHFFFAOYSA-N
-rxn:4:187525:224337,O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1F,VCEXCGQLXPBTFT-UHFFFAOYSA-N
-rxn:4:187533:224582,Cc1ccc(C(=O)N(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2)C2C=CS(=O)(=O)C2)cc1,FTZSYIRRQFOXNV-UHFFFAOYSA-N
-rxn:4:187544:225043,COc1cc(-c2ccc(OC3CCCCC3)c(F)c2)cc(OC)c1CN1CCCCC1C,HSYQFEMTXKKAQD-UHFFFAOYSA-N
-rxn:4:187560:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4=O)cc3)cn2)CC1,MLRWRHBARGMINB-UHFFFAOYSA-N
-rxn:4:187562:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCSC(c4ccco4)CC3)ccc2OC)CC1,IGFPSKMVMCBZAA-UHFFFAOYSA-N
-rxn:4:187566:222684,Cc1ccc(S(=O)(=O)N(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C2C=CS(=O)(=O)C2)cc1,RZQPGEXYBYYBJK-UHFFFAOYSA-N
-rxn:4:187574:222720,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc(N3CCNCC3)cc2C(F)(F)F)CC1,VOUODZXFCVLJJV-UHFFFAOYSA-N
-rxn:4:187597:223221,CC(=O)NCc1cccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c1,UGZIGGDBBRPWEE-UHFFFAOYSA-N
-rxn:4:187669:226832,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cccnc3OCC(F)(F)F)cc2)C1,CRCGWKGOGYPUPS-UHFFFAOYSA-N
-rxn:4:187679:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N(C4CCCCC4)C4CCCCC4)cc3)cc2)CC1,ULBMAVMSQPAGLX-UHFFFAOYSA-N
-rxn:4:187685:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)cc3)c2)C1,RQSBEBURZVFCJI-UHFFFAOYSA-N
-rxn:4:187690:222684,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(F)c1,HZAKLKWPVJFGEW-UHFFFAOYSA-N
-rxn:4:187691:222504,O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)ccc1F,RWVJGVLBMOAHOY-UHFFFAOYSA-N
-rxn:4:187782:223841,CCOC(=O)c1cc2cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)ccc2n1C1CC1,ZTZZETMYTDWGAM-UHFFFAOYSA-N
-rxn:4:187800:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CCOc3ccc(Cl)cc3)cc2F)CC1,VOEUJICQBDNZDF-UHFFFAOYSA-N
-rxn:4:187817:225307,O=C1C(=O)N(CC(=O)c2ccccc2C(F)(F)F)c2ccc(-c3ccc(C4COC4)c(C(F)(F)F)c3)cc21,DOEOYUNTMJOFMQ-UHFFFAOYSA-N
-rxn:4:187821:222899,CCCCNS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1,GPPGZDREXYEMSH-UHFFFAOYSA-N
-rxn:4:187916:225469,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(N2CCCC(C)C2)cc1,UCZRZZOVCAFSHV-UHFFFAOYSA-N
-rxn:4:187916:226097,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(COCC2CC2)cc1,MANNIPWMFSREFJ-UHFFFAOYSA-N
-rxn:4:187937:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(OC)c(S(=O)(=O)N3c4ccccc4CC3C)cc2OC)c1,MDFDSIKKIXAYPB-UHFFFAOYSA-N
-rxn:4:187963:222703,COc1ccc(C(C)N2Cc3cc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)ccc3OCC2=O)cc1OC,KVUPDGGILGPMNS-UHFFFAOYSA-N
-rxn:4:187968:223872,CCN(C(=O)c1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1)C1CCCCC1,WJSRPOLYDKOZEM-UHFFFAOYSA-N
-rxn:4:187969:224720,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cccc21,BLMLYENUNHMVBF-UHFFFAOYSA-N
-rxn:4:187987:224246,CC1CCN(C(=O)c2ccc(-c3ccc4c(=O)cc(C(=O)N5CCC(Cc6ccccc6)CC5)oc4c3)cc2F)CC1,RHFAXLYTWLZJAC-UHFFFAOYSA-N
-rxn:4:187990:223569,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,NCORRWQZWXXQQC-UHFFFAOYSA-N
-rxn:4:187994:224688,O=C1CCN(Cc2ccc(-c3ccc4oc(=O)c(-c5cc(=O)oc6cc(OC(=O)N7CCOCC7)ccc56)cc4c3)cc2Cl)CC1,ODKLMOPMMCHLEX-UHFFFAOYSA-N
-rxn:4:188014:222826,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,POIKKLUDOFFNFL-UHFFFAOYSA-N
-rxn:4:188405:223594,CCOC(=O)c1cc(F)c(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,SOWIIHPXLLKMCI-UHFFFAOYSA-N
-rxn:4:188681:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)c1F,ZOUACTYBROXIGK-UHFFFAOYSA-N
-rxn:4:188773:223608,COC(=O)c1cc(C)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N,SXSVKPNCGRTOAM-UHFFFAOYSA-N
-rxn:4:188935:223895,CCN1CCN(CCOc2ccc(-c3cc(S(N)(=O)=O)cc(C(=O)OC)c3F)cc2)CC1,RZDNEADCFDGECF-UHFFFAOYSA-N
-rxn:4:188995:223712,COc1ccc(-c2ccc(C(=O)N3CC(OC)C3)o2)cc1C12CC3CC(CC(C3)C1)C2,DTOUCCHRVMIRGS-UHFFFAOYSA-N
-rxn:4:189356:223582,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2ccc(C(=O)OC)cc2n1C(=O)OC(C)(C)C,RHIVMQJFKAUUGP-UHFFFAOYSA-N
-rxn:4:189356:223649,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,OGBLCZWJPIPCII-UHFFFAOYSA-N
-rxn:4:189356:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(N)(=O)=O)cc2S(=O)(=O)CC)c(F)c1,AYNQSMITUWYBNG-UHFFFAOYSA-N
-rxn:4:189356:223973,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,MNHGIDDXHZEFTI-UHFFFAOYSA-N
-rxn:4:189356:223995,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1,WBQRIHQEVXRDAX-UHFFFAOYSA-N
-rxn:4:189546:223895,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])c(OC4CCCC4)c3)cc2)CC1,XDVQHMJSRDTIHN-UHFFFAOYSA-N
-rxn:4:189576:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(OC4CCCC4)c([N+](=O)[O-])cc3F)cc(F)c2F)CC1,KKZWTTCTERQKJT-UHFFFAOYSA-N
-rxn:4:189578:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC(F)(F)F)cc(N4CCCC4)c3)cc2)CC1,JSFSIIGUZQSNLY-HZCBDIJESA-N
-rxn:4:189605:224755,COc1ccc(-c2cc(C(=O)N3CCOCC3)ccc2F)cc1C=C1N=C(SC)SC1=O,HVRARSGHGOPDJP-UHFFFAOYSA-N
-rxn:4:189734:224772,O=C(c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC2)c(Cl)c1)N1CCOCC1,YQIWVPPMIKZCMM-UHFFFAOYSA-N
-rxn:4:189840:222634,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,MCYPQJZRNAXWEG-UHFFFAOYSA-N
-rxn:4:189852:224650,COC(=O)c1cc(-c2cc(F)ccc2OCC2CCOCC2)ccc1N1CCCS1(=O)=O,NJMIWOGSPCEAAX-UHFFFAOYSA-N
-rxn:4:189873:222855,COc1cc(-c2cc(CN3CCC(F)(F)C3)cc(C(F)(F)F)c2)cc(C2CCCNC2)c1,MOGAQYADRSGRFZ-UHFFFAOYSA-N
-rxn:4:189878:223542,Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)cc1,SWVVBDKZVVVOGU-UHFFFAOYSA-N
-rxn:4:189901:223712,COc1ccc(-c2ccc(C)c(CN3CC(OC)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,BYFGGSWSPGGMJF-UHFFFAOYSA-N
-rxn:4:189918:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)c1,FCJUFUKMYMQFCD-UHFFFAOYSA-N
-rxn:4:190019:224677,CN(C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1)C1CCS(=O)(=O)C1,ITFXDUMRTFKAOK-UHFFFAOYSA-N
-rxn:4:190053:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCCC3)cc2C1,AZFKALFRWMFQCH-UHFFFAOYSA-N
-rxn:4:190087:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)cc1,HBOUDXHJMFNDSS-UHFFFAOYSA-N
-rxn:4:190140:224414,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1,LZPFEDASTPVIOM-UHFFFAOYSA-N
-rxn:4:190150:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)C4CCCCC4)c3)c2)CC1,WXOSJTBZAXZYDC-UHFFFAOYSA-N
-rxn:4:190164:222447,COc1ccc2c(c1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1)N=C(NC(=O)OC(C)(C)C)C2,VNHMTDCODIDRJM-UHFFFAOYSA-N
-rxn:4:190164:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1,GFNKEGFYICKASI-UHFFFAOYSA-N
-rxn:4:190173:225742,CCCOc1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(Cl)c1OC,UYZFIFVCBHSGDR-UHFFFAOYSA-N
-rxn:4:190174:222732,O=C(NC1CCCCC1)c1ccc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)cc1,GROZAZNLIREIMJ-UHFFFAOYSA-N
-rxn:4:190208:222722,CC1CN(CCc2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)ccc2F)CCO1,XPYFSIHFAYHFFA-UHFFFAOYSA-N
-rxn:4:190214:224330,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(=O)CC2)c1,RHFGDZBKWWULIO-UHFFFAOYSA-N
-rxn:4:190228:224660,CN1CCN(C(=O)c2ccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)cc2)CC1,HWNAWGKUOSMGFR-UHFFFAOYSA-N
-rxn:4:190274:223835,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,IPEUOTQUUGLBNK-UHFFFAOYSA-N
-rxn:4:190275:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCOCC4)c(OC)cc3C)cc2)CC1,IBIVLJPCOSUCJL-UHFFFAOYSA-N
-rxn:4:190421:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(Cl)c5)C4=O)o3)cc2)c1,LNZCXDAKDLCFCA-UHFFFAOYSA-N
-rxn:4:190435:222514,COc1ccc(-c2ccc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)o2)cc1S(=O)(=O)NC1CCCCC1,JMGKFGKRQUXYOB-UHFFFAOYSA-N
-rxn:4:190439:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4CC4CCCC4)cc3)cc2)CC1,BWJJXBGCBGIDHA-UHFFFAOYSA-N
-rxn:4:190440:223608,CC(C)(C)c1cc(CN2CCOCC2)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,RABOBSLENUZZHN-UHFFFAOYSA-N
-rxn:4:190451:223895,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc2)CC1,PHDJMVYZLQMLMI-UHFFFAOYSA-N
-rxn:4:190475:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)ccc2c1,NPVGWUZLKDKSFW-UHFFFAOYSA-N
-rxn:4:190475:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(C2CCCN2C(=O)C2CCCCC2)cc1,UOKNCQXXWVZFCN-UHFFFAOYSA-N
-rxn:4:190475:223662,O=C(OCc1ccccc1)c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c([N+](=O)[O-])c1,RYOZIBPZPILZLC-UHFFFAOYSA-N
-rxn:4:190475:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,VCIRKRWYXNSFJH-UHFFFAOYSA-N
-rxn:4:190475:224772,O=C(c1ccc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)c(Cl)c1)N1CCOCC1,BKWSVXHRMRDCKE-UHFFFAOYSA-N
-rxn:4:190475:225740,CCCOc1c(Cl)cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc1OC,UWMJGIZXRSJJGA-UHFFFAOYSA-N
-rxn:4:190772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cn2)CC1,XBDSJZIEHMBFPL-UHFFFAOYSA-N
-rxn:4:190823:222758,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)ccc1NC(=O)OC(C)(C)C,BVAHYSUKWQVMLT-UHFFFAOYSA-N
-rxn:4:190833:223941,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c2C1=O,ILXHJVMOGFEPLG-UHFFFAOYSA-N
-rxn:4:190850:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1,QMDLBQZHAIWRIL-UHFFFAOYSA-N
-rxn:4:190927:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)cc1,IFRUKGAUVDSFKO-UHFFFAOYSA-N
-rxn:4:190957:224420,Cc1cc2c(cc1-c1cccc3c1CCCN3C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,WHORHWFDKWJGNU-UHFFFAOYSA-N
-rxn:4:190982:224746,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc21,GCLVVSWTPCWVFF-UHFFFAOYSA-N
-rxn:4:191006:222424,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1,QOFPXFSGSXHUGD-UHFFFAOYSA-N
-rxn:4:191006:222694,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,JPUYFNQGUZOMTN-UHFFFAOYSA-N
-rxn:4:191030:222751,Cc1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1NC(=O)OC(C)(C)C,BEKWHUPZFMVLRU-UHFFFAOYSA-N
-rxn:4:191030:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,OKDNATWJMGWZGY-UHFFFAOYSA-N
-rxn:4:191040:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3cc(OC(=O)N4CCCCCC4)ccc3c2)c1,PYKQNFFJBVJHDK-UHFFFAOYSA-N
-rxn:4:191041:225805,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1)N1CCOCC1,LSYWDDOPIUHMCG-UHFFFAOYSA-N
-rxn:4:191062:223139,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CCNCC2)nc1,TZGBMNZBMLLKKF-UHFFFAOYSA-N
-rxn:4:191062:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,IKZUZZKBKGFUQT-UHFFFAOYSA-N
-rxn:4:191062:225620,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOCC2)cc1,JOZCHFISAULJDL-UHFFFAOYSA-N
-rxn:4:191062:226197,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CCCOC2)cc1,UFXSVPFSVQZTBE-UHFFFAOYSA-N
-rxn:4:191062:227025,CCc1ncc(C2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,AMBMOAQCAOASGM-UHFFFAOYSA-N
-rxn:4:191069:224877,Fc1cc(-c2ccc(COC3CCCCC3)cc2)cc2c1OCCN2CCC1CCCCC1,PMIZBLCJRFPPFE-UHFFFAOYSA-N
-rxn:4:191073:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)cc1,IMOSXYLNTOMLIH-UHFFFAOYSA-N
-rxn:4:191092:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C)(C)C2,QCHFMWKVFQMPIL-UHFFFAOYSA-N
-rxn:4:191097:222408,CNC(=O)Nc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,OKVGEIXEVXELMY-UHFFFAOYSA-N
-rxn:4:191097:225742,CCCOc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(Cl)c1OC,PYRPZZYBXPBJPD-UHFFFAOYSA-N
-rxn:4:191103:226912,Cc1cc(CC(C)C)cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,JERSFPJWTUQADK-UHFFFAOYSA-N
-rxn:4:191107:222424,COc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc2cc(C(=O)N3CC(C)CC(C)C3)c(=O)oc12,RWENBSPFUUNFPV-UHFFFAOYSA-N
-rxn:4:191114:224198,CCN1CCN(Cc2ccc(-c3cccc(N4C=C(C(=O)c5ccc(C)cc5)S(=O)(=O)c5ccc(F)cc54)c3)c(F)c2)CC1,ZXRUNSMEBNADFY-UHFFFAOYSA-N
-rxn:4:191117:227226,CC(C)COc1ncccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,HCJFFDRLUWUFKN-UHFFFAOYSA-N
-rxn:4:191117:228135,CCOc1cc(C)ncc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,OVZKVMCIQUCNIT-UHFFFAOYSA-N
-rxn:4:191118:227882,CCOCc1ccccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,LCFQOVBBYKVBAJ-UHFFFAOYSA-N
-rxn:4:191127:226140,COc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,FCNDDHSAISSTLA-UHFFFAOYSA-N
-rxn:4:191135:222602,CC(C)Cc1cc(-c2cccc(C3(C)CC(C)(C)N(C(=O)c4ccccc4)c4ccccc43)c2)c(S(=O)(=O)NC(C)(C)C)s1,KZINPDSPZVNXAW-UHFFFAOYSA-N
-rxn:4:191180:222612,O=C1c2oc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1,GRBIKXMSUCJOPI-UHFFFAOYSA-N
-rxn:4:191195:226204,COc1nc2ccccc2cc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,DCGSYXYKJFNJBJ-UHFFFAOYSA-N
-rxn:4:191195:229018,Cc1ccnc(C)c1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,KSQWJNBEQWIZLR-UHFFFAOYSA-N
-rxn:4:191206:225674,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cnc(C5CCCCC5)cc4F)c3)C3=C(CCCC3=O)N1CC2,FRARHRMBJQIGSO-UHFFFAOYSA-N
-rxn:4:191206:226432,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccc(C5CCCC5)nc4F)c3)C3=C(CCCC3=O)N1CC2,DEGHZFARXFGMDU-UHFFFAOYSA-N
-rxn:4:191381:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(F)(F)C#N)cc3)c2)CC1,WPKCRFZERIFKKK-UHFFFAOYSA-N
-rxn:4:192071:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C(=O)C4CC4)c(F)c3)c(F)c2)CC1,RFEVYZNKCMNDDI-UHFFFAOYSA-N
-rxn:4:192772:222588,CSC1=NC(=Cc2ccc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)cc2)C(=O)S1,VLZWZUFHKPVWED-UHFFFAOYSA-N
-rxn:4:192772:223480,CSC1=NC(=Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)C(=O)S1,YJKGSKYWRLPJSV-UHFFFAOYSA-N
-rxn:4:192772:223520,CSC1=NC(=Cc2ccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C(=O)S1,ZJHVBBQQRSTZCG-UHFFFAOYSA-N
-rxn:4:192772:223598,CSC1=NC(=Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)C(=O)S1,ZNVPHHUTCQBDAU-UHFFFAOYSA-N
-rxn:4:192772:223894,CSC1=NC(=Cc2ccc(-c3cccc(OCCCN4CCN(C)CC4)c3)cc2)C(=O)S1,BNMAEWTXEKTEBQ-UHFFFAOYSA-N
-rxn:4:192772:223897,CSC1=NC(=Cc2ccc(-c3ccc(C)c(OCCCN4CCOCC4)c3)cc2)C(=O)S1,SMIIGWJZEIEAFX-UHFFFAOYSA-N
-rxn:4:192772:223951,CSC1=NC(=Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc2)C(=O)S1,CYGAJMQVSBJJNB-UHFFFAOYSA-N
-rxn:4:192772:223999,CSC1=NC(=Cc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc2)C(=O)S1,XFODDWISIZOPJM-UHFFFAOYSA-N
-rxn:4:193021:223608,CC(C)(C)S(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cn1,PIMZPYPDNQMRMM-UHFFFAOYSA-N
-rxn:4:193066:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(F)c(C2(C#N)CCCC2)c1,OSKJGJKLDPSNGX-UHFFFAOYSA-N
-rxn:4:193131:222604,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,NDLTXZQGEOCZDP-UHFFFAOYSA-N
-rxn:4:193238:223923,CN(C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC3)c(F)c2)ccc1F)C1CCCCC1,ZLYZUHCQZBMCGT-UHFFFAOYSA-N
-rxn:4:193268:224359,CCN(CC)C(=O)c1cc(-c2ccc(Cl)c(F)c2C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,PTWAPYTVOICVCT-UHFFFAOYSA-N
-rxn:4:193294:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(N3CCC(F)(F)C3)ccc2C(F)(F)F)c(Cl)c1,JODWKZWEFNVCAK-UHFFFAOYSA-N
-rxn:4:193405:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1,QCXBRMHVHQKBTK-UHFFFAOYSA-N
-rxn:4:193494:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cc(F)c(C(=O)N3CCCCC3)cc2Cl)CC1,QOKKEDAUGSLMEN-UHFFFAOYSA-N
-rxn:4:193503:224325,Cc1c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)ccc(S(C)(=O)=O)c1C1=NOCC1,HUOUIUGRYMETOA-UHFFFAOYSA-N
-rxn:4:193509:224292,Cc1cc(-c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2F)ccc1S(=O)(=O)OCC(C)(C)C,RKHVOXWJOYWIBZ-UHFFFAOYSA-N
-rxn:4:193518:222389,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,STSZSLKUKLBTQG-UHFFFAOYSA-N
-rxn:4:193518:224325,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1,KELRXWBKYCGUSI-UHFFFAOYSA-N
-rxn:4:193519:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(=O)CC1,UMCILNQQHTVCKL-UHFFFAOYSA-N
-rxn:4:193575:223831,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,SOZRRMQIFSJLKD-UHFFFAOYSA-N
-rxn:4:193613:223831,COc1ccc(-c2cc(C(=O)N3CCOCC3)c(F)cc2C)cc1S(=O)(=O)N1CCC(C)CC1,JSVRJGRWFGHDQZ-UHFFFAOYSA-N
-rxn:4:193623:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(S(=O)(=O)N3CCCCC3)c(F)cc2F)cc1Cl,TYQGHMGKBIRVKS-UHFFFAOYSA-N
-rxn:4:193636:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1cc(N2CCCC(F)(F)C2)ccc1C(F)(F)F,FEOLGCRTYRMJBW-UHFFFAOYSA-N
-rxn:4:193686:223698,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1,NVVGWBHHNXSUKU-UHFFFAOYSA-N
-rxn:4:193713:222610,CC(C)(C)OC(=O)Nc1cc(-c2cccc(N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)c2)cc([N+](=O)[O-])c1,JMCHXKHFXHGAMM-UHFFFAOYSA-N
-rxn:4:193722:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCCCCC3)cc2)cc1,HYHYYUQVXGCFPB-UHFFFAOYSA-N
-rxn:4:193722:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCCCC4)cc3)cc2)CC1,DVVPPBRZUGEUDB-UHFFFAOYSA-N
-rxn:4:193775:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c(F)c1,RJVBKDSBXKKIQA-UHFFFAOYSA-N
-rxn:4:193843:222589,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,VALZVOFARAPXDS-UHFFFAOYSA-N
-rxn:4:193864:224127,CCN1CCN(C(C)c2ccc(-c3cc(C4CC4)cc(N4CCCCC4=O)c3)cc2)CC1,WVOPYQUPKRNCCY-UHFFFAOYSA-N
-rxn:4:193885:225297,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)c1)N1CCC2(CC1)CC2(F)F,VRZRFPYRQMHERD-UHFFFAOYSA-N
-rxn:4:193888:224182,Cc1cc(-c2ccc(OCCN3CCOCC3)c(C)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,GIXMPQPWNZOSKN-UHFFFAOYSA-N
-rxn:4:193902:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCCCC4)c(C4CC4)c3)cc2)CC1,OAQCLSJXZYEQNI-UHFFFAOYSA-N
-rxn:4:193907:222799,Cc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C)c1,LFIFGFHOICEBDF-UHFFFAOYSA-N
-rxn:4:193909:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4SC(=S)N(C5CCCCC5)C4=O)o3)c(F)cc2C)CC1,IXXINWARPZBQPM-UHFFFAOYSA-N
-rxn:4:193909:224425,CCCC1CCC(c2ccccc2-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)CC1,BIGWFDSBWQWDHV-UHFFFAOYSA-N
-rxn:4:193936:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)o1,KTOFUNFODOWODC-UHFFFAOYSA-N
-rxn:4:193961:222715,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c1,MLGGOHIGRRHAHJ-UHFFFAOYSA-N
-rxn:4:193977:225204,Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc(C(F)(F)F)cc1C1CC1,RBYIFZDGYZVRBU-UHFFFAOYSA-N
-rxn:4:193993:225318,Cc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(F)cc(N2CCOCC2)cc1F,CCTQKOKKIBTTTR-UHFFFAOYSA-N
-rxn:4:193998:225347,Cc1cc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1C,PCMRJETUTDORSE-UHFFFAOYSA-N
-rxn:4:194002:225158,Cc1cc(-c2ccc(C(=O)N3CCSCC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,GIUXKWXEFNUKFC-UHFFFAOYSA-N
-rxn:4:194407:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CC2CC1CS2(=O)=O,YTSPRESIDXVDKE-UHFFFAOYSA-N
-rxn:4:194456:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CC3CC2CS3)cc1,KYZOXSKWRFCNBA-UHFFFAOYSA-N
-rxn:4:194456:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(S(=O)(=O)N2CC3CC2CS3)cc1)N1CCC2(CC1)OCCO2,NNDGZWJNBXHBOB-UHFFFAOYSA-N
-rxn:4:194626:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1)N1C2CCC1CC(F)C2,XJVLSINSGRRNDY-UHFFFAOYSA-N
-rxn:4:194674:224780,FC1(F)CCCN(Cc2cc3c(c(-c4ccc(C5CCOC5)c(C(F)(F)F)c4)c2)OCC3)C1,VZJGRPMPECVHBI-UHFFFAOYSA-N
-rxn:4:194693:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4(N5C(=O)c6ccccc6C5=O)CC(=O)C4)cc3)cc2)CC1,YQYPTFVJWNQMBF-UHFFFAOYSA-N
-rxn:4:194696:223774,COc1cccc2c1cc(-c1ccc3c(c1)CCCC3=NS(=O)C(C)(C)C)n2C(=O)OC(C)(C)C,NBEOMINORIMITF-UHFFFAOYSA-N
-rxn:4:194696:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c(C(C)C)c1,RQWGVGJKLCWSNT-UHFFFAOYSA-N
-rxn:4:194709:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc3c(c2)N(CC2CCCCC2)C(=O)CO3)c1,MEPRWMRXYOCGBT-UHFFFAOYSA-N
-rxn:4:194715:225340,CCOc1cc(-c2cccc3c2CCC3N2CCC(C(F)(F)F)CC2)ccc1OC(F)(F)F,PEQWCYJAOVUAST-UHFFFAOYSA-N
-rxn:4:194750:225656,CC1CCCCN1c1cncc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)c1,CAMRBVXOEKRURP-UHFFFAOYSA-N
-rxn:4:194768:225052,COC1CCN(C2CCCc3cc(-c4cc(F)cc(N5CCCCC5C)c4)ccc32)CC1,WJKCIXDOFPMBOI-UHFFFAOYSA-N
-rxn:4:194797:222923,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(C)c(S(=O)(=O)NC5CC5)c4)C(=O)C23)cc1,MLUFXLOYQBNIOI-UHFFFAOYSA-N
-rxn:4:197052:222466,CC1CCN(c2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,IQWPZXHNSZFDLH-UHFFFAOYSA-N
-rxn:4:197151:223482,N#Cc1ccc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cccc2c1,OSUCVRHOKPXBMP-UHFFFAOYSA-N
-rxn:4:197465:223497,CC(c1ccc(-c2cccc3ccn(C(F)F)c(=O)c23)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,ZHKDPXGVTPTAKI-UHFFFAOYSA-N
-rxn:4:197793:223482,CCN1c2c(cccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1C,WHWPQYLHRMXKMC-UHFFFAOYSA-N
-rxn:4:197961:224714,CCCCOc1ccc(-c2ccc3c(c2)C2(OCCCO2)C(=O)N3C(C)C)cc1C(F)(F)F,DSECWFPGLMJCKT-UHFFFAOYSA-N
-rxn:4:199499:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)cc1,XGWGLVKTXSPAFK-UHFFFAOYSA-N
-rxn:4:199588:222638,CC(C)CN(CC(C)C)c1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],JEBCRFKRLYHHTG-UHFFFAOYSA-N
-rxn:4:199593:225297,COC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cccc(S(=O)(=O)N3CCCC3)c2)CC1,ZSOIKBBDDAQVDV-UHFFFAOYSA-N
-rxn:4:199622:225292,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(C)C)c(C(F)(F)F)c3)cc2)CC1,RAWWCAQQFXCKGA-UHFFFAOYSA-N
-rxn:4:199648:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cncc(OCC3CCCN3C(=O)OC(C)(C)C)c2)cc1,BNXLXTIVUCUKLJ-UHFFFAOYSA-N
-rxn:4:199650:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,IWKRXUMGJNRIKO-UHFFFAOYSA-N
-rxn:4:199679:224802,COC(OC)c1ccc(-c2cccnc2OC2CCN(C(=O)COc3ccccc3F)CC2)c(C(F)(F)F)c1,MPZKXNFCAOWHAU-UHFFFAOYSA-N
-rxn:4:199693:226507,CC(C)COc1cc(-c2cc(C#N)ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)cn1,IUAZJSUWJJFEFD-UHFFFAOYSA-N
-rxn:4:199712:223840,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,HCMWAKFSFFVIPE-UHFFFAOYSA-N
-rxn:4:199714:223932,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cn2)CC1,UKLOIPOXJXARIJ-UHFFFAOYSA-N
-rxn:4:199714:226496,CCN(CC)c1cc(F)c(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,GRDPZRGNMXFVSW-UHFFFAOYSA-N
-rxn:4:199743:222401,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cccc(C(=O)Nc3nnn[nH]3)c2)CC1,GLCVSIWROCMQJS-UHFFFAOYSA-N
-rxn:4:199759:226112,Cc1cc(OCC2CC2)ccc1-c1cccc(N2CCN(C(=O)OCC[Si](C)(C)C)CC2)c1,JGGNQQJAJYZRME-UHFFFAOYSA-N
-rxn:4:199759:226275,Cc1cc(-c2cccc(N3CCN(C(=O)OCC[Si](C)(C)C)CC3)c2)cnc1OCC(C)C,PNFLAXXBMYWVRC-UHFFFAOYSA-N
-rxn:4:199771:225235,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2cnc(-c3ccccc3F)c(Cl)c2)CC1,RWZPFQFBHNRHPH-UHFFFAOYSA-N
-rxn:4:199776:225251,CCOC(=O)c1cnn2ccc(-c3ccc(OC)c(CCC(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)cc12,VJKDKYNCGJBZLK-UHFFFAOYSA-N
-rxn:4:199830:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)CC3C)c2)CC1,DDOUFNBTRSLVGT-UHFFFAOYSA-N
-rxn:4:199841:224256,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)CCN1C(=O)OC(C)(C)C,QRRKYNDSHVRTNZ-UHFFFAOYSA-N
-rxn:4:199855:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(OC)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3OC)c2)CC1,INUVKTYHHQRUAC-UHFFFAOYSA-N
-rxn:4:199861:226844,Cc1cc(OC2CCN(C(=O)CCc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)cc(=O)n1C,BYEDNIMNQYTZCA-UHFFFAOYSA-N
-rxn:4:199865:223170,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCNC4)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,LPGNRRMQHRASTR-LFHRXCRSSA-N
-rxn:4:199869:223042,CCCOc1ccc(-c2ccc(C(=O)NC(C)C)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,BGEVUEHFXYPNIZ-UHFFFAOYSA-N
-rxn:4:199869:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,WZQGBOFVTVNONY-UHFFFAOYSA-N
-rxn:4:199870:224195,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(Cl)c(CN2CCN(CC)CC2)c1,ZAGNRLKQEDMHQX-UHFFFAOYSA-N
-rxn:4:199870:227285,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C#N)cnc1C1CC1,LXQAQCCNOUFDKV-UHFFFAOYSA-N
-rxn:4:199877:222684,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)=NC23CCCCC3)cc(OC)c1OC,CUAYBXUHTYPBMG-UHFFFAOYSA-N
-rxn:4:199883:224841,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc5cc6ccccc6cc45)cc3)CC2)CC1,LBUNRQMEGZPJEM-UHFFFAOYSA-N
-rxn:4:199911:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(OC)ccc5n4CC(=O)OC)s3)cc2)CC1,BUAXQVJMOPZOKJ-UHFFFAOYSA-N
-rxn:4:199936:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N=c4sc5cc(OC)ccc5n4CC(=O)OC)cc3)c2)CC1,GYUVLPKRNIWOBO-UHFFFAOYSA-N
-rxn:4:199948:224612,CCCCN1C(SCc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)=NS(=O)(=O)c2ccccc21,TWOPISWTKIUGEQ-UHFFFAOYSA-N
-rxn:4:199963:225984,CCOC(=O)C(C)(C)Sc1nc2c(c(=O)n1-c1ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc1)SCC2,QVPAAWWTVDHIDW-UHFFFAOYSA-N
-rxn:4:199979:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(-c2nc(SCc3cccc(C(F)(F)F)c3)c(C#N)c3c2CCC3)cc1,ZFCRKCNOOWWXFP-UHFFFAOYSA-N
-rxn:4:199980:226844,CCOC(=O)Cn1c(=NC(=O)C2CCCCC2)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,IVPMYPPQIXTOGQ-UHFFFAOYSA-N
-rxn:4:199981:223386,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(/C=N/O)ccc4Cl)cc32)SC1=S,HBGQNTOWSOPCKG-WWWUBTNISA-N
-rxn:4:199983:224633,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(CN5CCOCC5)ccc4OC)cc32)SC1=S,VVJKDZPCTYNPOZ-UHFFFAOYSA-N
-rxn:4:199983:228813,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(Cl)c(SC)c4)cc32)SC1=S,DXLJOUNLOIOKQS-UHFFFAOYSA-N
-rxn:4:200012:222833,COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc31)CC2,KZYYRBSGSWZVAS-UHFFFAOYSA-N
-rxn:4:200018:222847,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(C#N)cc(C4CCCNC4)c3)ccc21,SFVYGINLSCAVLX-UHFFFAOYSA-N
-rxn:4:200026:222633,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)C(=O)N2C1c1ccc(OC)cc1,VIUAMJKHPWGGJC-UHFFFAOYSA-N
-rxn:4:200039:223084,COc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,HMJNGYFRCLJXED-UHFFFAOYSA-N
-rxn:4:200039:223662,COc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,UDWCXWPHURZTAA-UHFFFAOYSA-N
-rxn:4:200048:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)c(C)c1,CBQHUOWSJKXTRA-UHFFFAOYSA-O
-rxn:4:200048:222535,Cc1cccc(NC(=O)c2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)c1C,AADADHRHSBUFSE-UHFFFAOYSA-O
-rxn:4:200048:222793,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4F)cc3)[n+](C)c3ccccc32)C1,VHEBLXIUVMAZNN-UHFFFAOYSA-O
-rxn:4:200048:222795,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(NC(=O)N5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,BBEDMKXBVFVIPX-UHFFFAOYSA-O
-rxn:4:200048:222998,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)[n+](C)c3ccccc32)C1,HVMWYSJXRUHKLY-UHFFFAOYSA-N
-rxn:4:200048:223008,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)[n+](C)c3ccccc32)C1,BXZJKERABBXYLC-UHFFFAOYSA-N
-rxn:4:200048:223022,COCCNC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,VIIFIMCUHBWSIK-UHFFFAOYSA-O
-rxn:4:200048:223200,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)[n+](C)c3ccccc32)C1,BJQBVVKUMHKCDY-UHFFFAOYSA-N
-rxn:4:200048:223218,Cc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc2c1NCCO2,MQAFOTBXRTXRSI-UHFFFAOYSA-N
-rxn:4:200048:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc21,MMDVPOXRLWPQFM-UHFFFAOYSA-N
-rxn:4:200048:223713,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccccc4COc4cccc5c4CCCC5)cc3)[n+](C)c3ccccc32)C1,ZEOLRNXDOWDBFX-UHFFFAOYSA-N
-rxn:4:200048:223751,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5C(=O)c6ccccc6C5=O)c4)cc3)[n+](C)c3ccccc32)C1,IUSHKZQAHCUYHU-UHFFFAOYSA-N
-rxn:4:200048:223931,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc5ccc(Cl)cc5n4C(=O)OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,ZRTQCMNOEPOYER-UHFFFAOYSA-N
-rxn:4:200048:223964,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)cc3)[n+](C)c3ccccc32)C1,SOEZZGHNESHJLK-UHFFFAOYSA-N
-rxn:4:200048:224075,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc3)[n+](C)c3ccccc32)C1,NPQKDDSATCIHIR-UHFFFAOYSA-N
-rxn:4:200048:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)CC1,AXHXAVKSMXHLOP-UHFFFAOYSA-N
-rxn:4:200048:224157,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cc3)[n+](C)c3ccccc32)C1,PAMISYOJRNTVKL-UHFFFAOYSA-N
-rxn:4:200048:224182,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OCCN1CCOCC1,YECGBWKWAHIABZ-UHFFFAOYSA-N
-rxn:4:200048:224282,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(=O)(=O)N(C)C)c5ccccc45)cc3)[n+](C)c3ccccc32)C1,HEDIAVVJSCDDKR-UHFFFAOYSA-N
-rxn:4:200048:224428,CCCCOc1ccc2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)ccc2c1,WLECTSSWVPRZHE-UHFFFAOYSA-N
-rxn:4:200048:224491,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(F)c(CN(C(C)C)C(C)C)c4)cc3)[n+](C)c3ccccc32)C1,WJIOTVQDIBJQAU-UHFFFAOYSA-N
-rxn:4:200048:224570,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cc3)[n+](C)c3ccccc32)C1,LSVVHXQKXYVZAB-UHFFFAOYSA-N
-rxn:4:200048:224575,CC1CCN(c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c(C#N)c2)CC1,LIVLAIDDVFUEDI-UHFFFAOYSA-N
-rxn:4:200048:224669,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc3)[n+](C)c3ccccc32)C1,KMWBBNURVQVECC-UHFFFAOYSA-N
-rxn:4:200048:224680,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(=O)N5CCCCC5)ccc4F)cc3)[n+](C)c3ccccc32)C1,JKWZYGLUCQTEFN-UHFFFAOYSA-N
-rxn:4:200048:224791,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)OC(C)C)cc4[N+](=O)[O-])cc3)[n+](C)c3ccccc32)C1,ZZQKREKYZJJFPC-UHFFFAOYSA-N
-rxn:4:200048:224997,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc3)[n+](C)c3ccccc32)C1,FHRFDXPXHHQIQK-UHFFFAOYSA-N
-rxn:4:200048:225144,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCOCC5)cc4C#N)cc3)[n+](C)c3ccccc32)C1,JTSKREIEISIMAO-UHFFFAOYSA-N
-rxn:4:200048:225145,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCOCC5)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,AJHOJRGEYFZUDU-UHFFFAOYSA-N
-rxn:4:200048:225219,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)[n+](C)c3ccccc32)C1,BIJJKFUPTZGDHU-UHFFFAOYSA-N
-rxn:4:200048:225312,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)[n+](C)c3ccccc32)C1,XPUVHZRISJPVED-UHFFFAOYSA-N
-rxn:4:200048:225369,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(Cl)c([N+](=O)[O-])c1,MFXUAPLTELNVPM-UHFFFAOYSA-N
-rxn:4:200048:225437,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,MHKXWPJBFISPCX-UHFFFAOYSA-N
-rxn:4:200048:225557,COC(=O)C1(c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cc2)CC1,FYCHHKBLZYRZPT-UHFFFAOYSA-N
-rxn:4:200048:225613,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(OC5CCCCC5)c4)cc3)[n+](C)c3ccccc32)C1,JYIRCDVXJXSFEA-UHFFFAOYSA-N
-rxn:4:200048:225713,CCOC(=O)COc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,CRKRACIJVPQGGF-UHFFFAOYSA-N
-rxn:4:200048:225869,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,MDLFRAQFODGEKU-UHFFFAOYSA-N
-rxn:4:200048:225877,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)[n+](C)c3ccccc32)C1,GEGGYYBLUMBOKX-UHFFFAOYSA-N
-rxn:4:200048:225945,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C#CC(F)(F)F)c(F)c4)cc3)[n+](C)c3ccccc32)C1,ZAJQSNBPZWZSGV-UHFFFAOYSA-N
-rxn:4:200048:226012,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCC(F)(F)F)cc4F)cc3)[n+](C)c3ccccc32)C1,HCIKQQYXSMOFDM-UHFFFAOYSA-N
-rxn:4:200048:226054,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C(F)(F)C(F)(F)F)nc4)cc3)[n+](C)c3ccccc32)C1,AOWDYTRBNFAAJV-UHFFFAOYSA-N
-rxn:4:200048:226107,Cc1cc(OCC2CC2)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,QYDCOWWEZPPKIQ-UHFFFAOYSA-N
-rxn:4:200048:226112,Cc1cc(OCC2CC2)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,VUOQFGJLUWECIT-UHFFFAOYSA-N
-rxn:4:200048:226117,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OCC(C)C,KEVOKYCAIQMROV-UHFFFAOYSA-N
-rxn:4:200048:226124,COCc1ccc(C2CC2)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,BVRHKUHKRPKSMV-UHFFFAOYSA-N
-rxn:4:200048:226151,Cc1cc(OC(C)C)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,SXUMJJQJZBZNOP-UHFFFAOYSA-N
-rxn:4:200048:226185,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C5CCOCC5)cc4)cc3)[n+](C)c3ccccc32)C1,UFTUAURVRNJYBK-UHFFFAOYSA-N
-rxn:4:200048:226187,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(C5CCOCC5)c4)cc3)[n+](C)c3ccccc32)C1,YVRSZNCYUGILEZ-UHFFFAOYSA-N
-rxn:4:200048:226259,CCCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,YKTMFCUVZSYWPT-UHFFFAOYSA-N
-rxn:4:200048:226281,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CC(=O)N(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,XCQKWEMFCZCHGT-UHFFFAOYSA-N
-rxn:4:200048:226291,CC(C)COc1cc(F)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,KESOGCRVZMZZBC-UHFFFAOYSA-N
-rxn:4:200048:226296,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)cc(COC(C)C)c4)cc3)[n+](C)c3ccccc32)C1,FSETVQPBILJLOR-UHFFFAOYSA-N
-rxn:4:200048:226466,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc5c(c4)OCC(=O)N5C)cc3)[n+](C)c3ccccc32)C1,BVBVOFSQOTWOBH-UHFFFAOYSA-N
-rxn:4:200048:226547,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1OC,JRJPTPOINYEOJV-UHFFFAOYSA-N
-rxn:4:200048:226734,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(S(=O)(=O)N(C)C)c4)cc3)[n+](C)c3ccccc32)C1,SYHARJAAMSQQRJ-UHFFFAOYSA-N
-rxn:4:200048:226917,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(C(C)(C)C)c1,SEBARRCZFLYXJE-UHFFFAOYSA-N
-rxn:4:200048:227040,Cc1ccc(OC(C)C)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,CJPJGIXKHAOMGD-UHFFFAOYSA-N
-rxn:4:200048:227041,CCOc1cc(C)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1C,DGSGNPDEWZDHJG-UHFFFAOYSA-N
-rxn:4:200048:227054,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1C1CC1,NQSGRAIGVLBWQW-UHFFFAOYSA-N
-rxn:4:200048:227057,COc1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1C1CC1,APTDNKDLKDUXQZ-UHFFFAOYSA-N
-rxn:4:200048:227254,CCCOc1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,UYKZUGDRJCHWDO-UHFFFAOYSA-N
-rxn:4:200048:227468,CCN(CC)c1ncc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cn1,IRFBNSRRETYFKM-UHFFFAOYSA-N
-rxn:4:200048:227541,CCOc1cc(F)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1F,VEIKIXNNXXIYNN-UHFFFAOYSA-N
-rxn:4:200048:227545,CCOc1ccc(F)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1F,UDLWDUFTUWHRNG-UHFFFAOYSA-N
-rxn:4:200048:227754,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(Cl)cccc4C(F)(F)F)cc3)[n+](C)c3ccccc32)C1,NAAAKWXVWCWZII-UHFFFAOYSA-N
-rxn:4:200048:227769,COc1ncc([N+](=O)[O-])cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,DSLKRYOQVHSIRA-UHFFFAOYSA-N
-rxn:4:200048:228091,CCN(CC)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)s1,NXWBFHXVCIOIIS-UHFFFAOYSA-N
-rxn:4:200048:228298,CCOC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cs1,QMMQTFVNYFBWPR-UHFFFAOYSA-N
-rxn:4:200048:228299,CCOC(=O)c1csc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,DLOYDFREXPOGAU-UHFFFAOYSA-N
-rxn:4:200048:228345,COC(=O)c1sc(C)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,MICRLGOKRONMRM-UHFFFAOYSA-N
-rxn:4:200055:224253,CC1CCCCN1C(=O)c1cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)ccc1F,JUXDBXROBASRMK-UHFFFAOYSA-N
-rxn:4:200055:225766,CCCOc1c(F)cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)c(C)c1F,JGTQYPIYXWWVOU-UHFFFAOYSA-N
-rxn:4:200056:227511,CC(C)Oc1nccc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)c1Cl,BBPKAYBOKFFHPY-UHFFFAOYSA-N
-rxn:4:200089:223753,CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,IQAOHNACEMJQNR-UHFFFAOYSA-N
-rxn:4:200090:223508,CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,GOVDCIRVNTWTOJ-UHFFFAOYSA-N
-rxn:4:200110:222684,CCOC(=O)c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c([N+](=O)[O-])cc1C#N,HJWURZLUPXJOIL-UHFFFAOYSA-N
-rxn:4:200174:222613,CCCNS(=O)(=O)c1ccc(-c2cnn(C(C(=O)OCC)C3CC3)c2)c(C(F)(F)F)c1,YOAGDRDYRKTZOO-UHFFFAOYSA-N
-rxn:4:200206:222613,CCCNS(=O)(=O)c1ccc(-c2cnn(C(C(=O)OCC)C(C)C)c2)c(C(F)(F)F)c1,SXUJWNSBPIKGNM-UHFFFAOYSA-N
-rxn:4:200217:223997,Cc1cc(-c2cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c2)cc(C)c1S(=O)(=O)N1CCOCC1,YHWVBXDSFNMUPJ-UHFFFAOYSA-N
-rxn:4:200225:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnn(COCC[Si](C)(C)C)c2)CC1,GABJPFTYHASWAD-UHFFFAOYSA-N
-rxn:4:200270:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccnc2OC2CCN(C(=O)CC(F)(F)F)C2)c(Cl)c1,XSAGSUPYZGCDTJ-UHFFFAOYSA-N
-rxn:4:200280:224612,CCC(=O)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,LGJYDGQUEVCWJA-UHFFFAOYSA-N
-rxn:4:200309:222389,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,ZNFFPFZMODCWBE-UHFFFAOYSA-N
-rxn:4:200314:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4)o3)cc2F)CC1,NHTNRHLWVUWGBR-UHFFFAOYSA-N
-rxn:4:200318:223753,Cc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccccc3F)o2)cc1OCCCN1CCN(C)CC1,NFNVWMJWLQKHLY-UHFFFAOYSA-N
-rxn:4:200319:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN=C4SCc4c(F)cccc4Cl)o3)ccc2F)CC1,GJNATDUJNORDGP-UHFFFAOYSA-N
-rxn:4:200324:226001,N#Cc1cc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCCCC2)ccc1OC(F)(F)F,MLCOPGAFAWSZCD-UHFFFAOYSA-N
-rxn:4:200365:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C#N)cc1C1CN(C(=O)OC(C)(C)C)C1,MHZUJNNNHCPNGJ-UHFFFAOYSA-N
-rxn:4:200372:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4CCC(=O)N4CC(N5C(=O)CSC5=O)C4)c3)cccc12,KRIPIOADEAFMEY-UHFFFAOYSA-N
-rxn:4:200430:225715,COCCOCc1cc(-c2ccc(CCN3CCN(CC(F)(F)F)CC3)cc2)ccc1F,KYQBKFZRNDOIET-UHFFFAOYSA-N
-rxn:4:200450:222684,O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,AFDOYOPSOXAJMS-UHFFFAOYSA-N
-rxn:4:200452:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3Cl)cc2)c1,BUUAXOKPHUZWIF-UHFFFAOYSA-N
-rxn:4:200476:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(O[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2)c1,PSAMPMRNRQFHAO-IBGZPJMESA-N
-rxn:4:200495:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCC(COc4ccccn4)C3)cc2F)CC1,YJXVWAWMABCIPN-UHFFFAOYSA-N
-rxn:4:200512:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(SC4CC(=O)N(c5cc([N+](=O)[O-])ccc5OC)C4=O)cc3)cc2)CC1,BOTGRTDJZUASHH-UHFFFAOYSA-N
-rxn:4:200520:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)cc2)cc1,IFQKADWCLRRRGT-UHFFFAOYSA-N
-rxn:4:200522:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4cccc(C)c4)cc3)cc2)CC1,WSVPDOIYHFEWHD-UHFFFAOYSA-N
-rxn:4:200525:222540,Cc1ccccc1CSC1=NCCN1C(=O)c1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,UPLCUHCECWDUFD-UHFFFAOYSA-N
-rxn:4:200536:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)c3cccc(Cl)c3)o2)c1,USXSHPZJAHBFGW-UHFFFAOYSA-N
-rxn:4:200567:224376,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c(C)c2)CC1,KENWLRQHPNOHRN-UHFFFAOYSA-N
-rxn:4:200573:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)cc1,SZBTUMRRGKSOMH-UHFFFAOYSA-N
-rxn:4:200577:222682,CCOc1ccc(-c2cccc(OC)c2NC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1,PCMWIZNBUVSENE-UHFFFAOYSA-N
-rxn:4:200580:222583,CC(SC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1)c1ccccc1,PIBBHZRATDMROO-UHFFFAOYSA-N
-rxn:4:200581:222540,Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)cc1,RVKNONDNJSUKGF-UHFFFAOYSA-N
-rxn:4:200581:222583,Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)cc1,JDTZQWKEJJVMLF-UHFFFAOYSA-N
-rxn:4:200583:222583,Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c1,YPFXNCRBDNCWNI-UHFFFAOYSA-N
-rxn:4:200600:222996,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(F)cc1C1CCCNC1,NEIZGZUKRQBAJN-UHFFFAOYSA-N
-rxn:4:200601:226844,CC(C)(C)N(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C(=O)N1CCCCC1,URSHFLYSVCUUOC-UHFFFAOYSA-N
-rxn:4:200635:223084,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1cnc(N2CCC(O)CC2)nc1,CEGKXPPGMWAPEV-UHFFFAOYSA-N
-rxn:4:200645:226844,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,SCEQZOGPFYDWHA-UHFFFAOYSA-N
-rxn:4:200649:222997,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2ccc(Cl)cc2C2CCCNC2)CC1,WTDXOKVIBHHNBG-UHFFFAOYSA-N
-rxn:4:200649:223239,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2cncc(C3CCCN3)c2)CC1,LUGUUHNPKGOTGO-UHFFFAOYSA-N
-rxn:4:200657:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)C1,WYONNRUMXLTOIK-UHFFFAOYSA-N
-rxn:4:200705:225947,CN1CCN(c2ncc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,MHZIXHOTIJCXGL-UHFFFAOYSA-N
-rxn:4:200717:222450,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(S(=O)(=O)NCc4ccc(OC)cc4)c3)cc2C)CC1,DMOLAOJDFGZSBQ-UHFFFAOYSA-N
-rxn:4:200733:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,WTVIRPJKDCVYJX-UHFFFAOYSA-N
-rxn:4:200739:225367,COc1ccc(OC)c(C2CC(c3ccc(-c4cnc(N5CCC(F)(F)CC5)nc4)cc3)=NN2C(C)=O)c1,KKCPKYZKJMWRBT-UHFFFAOYSA-N
-rxn:4:200742:222583,Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)c1,NWYMVXPKSGDQTQ-UHFFFAOYSA-N
-rxn:4:200749:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)ON=C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)cc2)CC1,JDQBNNPJVOSHSA-UHFFFAOYSA-N
-rxn:4:200760:225167,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)cc(C(=O)N2CCCC2)c1,QVLCOMOTAZYRKM-UHFFFAOYSA-N
-rxn:4:200762:223279,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2)C1,OFVCOVMRLRJTJZ-UHFFFAOYSA-N
-rxn:4:200763:227048,COc1ncc(-c2ccc(C(=O)C(C)C)cc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,QKGBQIDMFITFER-UHFFFAOYSA-N
-rxn:4:200768:224599,Cc1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)cc1C(=O)N1CCCC(COc2ccncc2)C1,VQPHZOQSTLESRQ-UHFFFAOYSA-N
-rxn:4:200774:222583,COc1cccc(C2CC(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)=NN2S(C)(=O)=O)c1OC,WNRWAHQDGLLDKT-UHFFFAOYSA-N
-rxn:4:200797:224595,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(N2CCCC(C)C2)cc1OC,ZIVVSBJDEZQFEH-UHFFFAOYSA-N
-rxn:4:200800:222632,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCC4)c3)CC2)ccn1,SEKXHWIYFPEEGP-UHFFFAOYSA-N
-rxn:4:200801:224018,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)CC1,LDKWXCVQEOVJHQ-UHFFFAOYSA-N
-rxn:4:200812:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCC2)CC1,RVAONMXMCRAXBD-UHFFFAOYSA-N
-rxn:4:200817:223182,CCNS(=O)(=O)c1ccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,CWQNQACGLZLUEI-UHFFFAOYSA-N
-rxn:4:200821:226986,CCCCSc1ccc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,AOHLEXMDTKQGFQ-UHFFFAOYSA-N
-rxn:4:200822:226425,CC1CCCCN1c1ccc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)s1,BAFJZPZNNJKABH-UHFFFAOYSA-N
-rxn:4:200822:226968,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OC(C)(C)C4)c2)CC1,VGRCUAUSFMBGCU-UHFFFAOYSA-N
-rxn:4:200825:226251,CCCCOc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1Cl,ZPVVQPXDOSNWRL-UHFFFAOYSA-N
-rxn:4:200843:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,XAAJGJCZCMIJNE-UHFFFAOYSA-N
-rxn:4:200854:228631,COC(=O)C1CCCN(Cc2ccc(-c3ccsc3C3CCC3)cc2N2CCOCC2)C1,SVUOEZVCIGXYMX-UHFFFAOYSA-N
-rxn:4:200855:222815,Cc1cc(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1,LMQGWTBRLMFRJS-UHFFFAOYSA-N
-rxn:4:200858:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)c(Oc3ccccc3)c2)cc1,OIOZSBYMDIZUOE-UHFFFAOYSA-N
-rxn:4:200864:223181,CCNS(=O)(=O)c1cccc(-c2cccc(CN3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c2)c1,GSBPOICVPQNQSQ-VQTJNVASSA-N
-rxn:4:200878:223162,CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(OC)cc3)o2)c1,IFOQSFWBUQAORA-UHFFFAOYSA-N
-rxn:4:200880:224612,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)CC2)CC1,KIMFKMDZNRZIKD-UHFFFAOYSA-N
-rxn:4:200883:223858,COc1cc2c(cc1-c1ccccc1CN1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)-c1ccccc1C2(C)C,KKIFEXZNEOSRLI-UHFFFAOYSA-N
-rxn:4:200887:224683,COc1ccccc1C1CC(c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,PBQFFZNCROXUNP-UHFFFAOYSA-N
-rxn:4:200895:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)s1,FTLAEYSRHPZZPW-UHFFFAOYSA-N
-rxn:4:200897:224410,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1,WRORFXGCAQSTIV-UHFFFAOYSA-N
-rxn:4:200903:222413,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(S(N)(=O)=O)cc3C)cc2C(C)C)CC1,CUUFUJLVLSGHTG-UHFFFAOYSA-N
-rxn:4:200903:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3C)cc2)ccc1F,ATMLEKWIGCXORQ-UHFFFAOYSA-N
-rxn:4:200903:223097,CNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)cc([N+](=O)[O-])c1,JUWAQVOKRKCXBN-UHFFFAOYSA-N
-rxn:4:200903:223120,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(C(=O)NC4CC4)c3)cc2C(C)C)CC1,VHUKJKXWECCVQI-UHFFFAOYSA-N
-rxn:4:200903:223521,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C(C)C)CC1,NYMBPORKHYDCBE-UHFFFAOYSA-N
-rxn:4:200903:223695,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C(C)C)CC1,GICYCEHEVNFQFK-UHFFFAOYSA-N
-rxn:4:200903:226995,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(SCC(C)C)cc3)cc2C(C)C)CC1,HYSILZHEZSFJTQ-UHFFFAOYSA-N
-rxn:4:200935:222684,CCN(CC)CCN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc21,MNMBKTPMPVLFJB-UHFFFAOYSA-N
-rxn:4:201067:223099,COCCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc21,ABVBMXJIMDIECQ-UHFFFAOYSA-N
-rxn:4:201068:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccccc2CCC(=O)N2CC(N3CCc4sccc4C3)C2)c1,CXUJFZVANBXBAX-UHFFFAOYSA-N
-rxn:4:201072:224693,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(-c5ccc(OC)cc5)c(Cl)c4)ccc3OC)N2C1=O,QOJVVDXZJMZNPU-UHFFFAOYSA-N
-rxn:4:201073:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(OCC(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)c1,MYGOKMLLGDJDTR-UHFFFAOYSA-N
-rxn:4:201085:227251,CCCOc1ccc(F)cc1-c1ccc(N2C(=O)C(=C3C(=O)N(CC(=O)OCC)c4ccccc43)SC2=S)cc1,VHXSRWQTSDRKMV-UHFFFAOYSA-N
-rxn:4:201089:222633,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc3s2)CC1,CVFLVEFYHXDNSB-UHFFFAOYSA-N
-rxn:4:201096:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cccc2c1CCN2C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C,MLUFAJSRYILKJO-VWLOTQADSA-N
-rxn:4:201097:225218,CC1CCCN(c2ncc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)cc2Cl)C1,HBBHIPZXFLNMBE-UHFFFAOYSA-N
-rxn:4:201097:228567,CCC(C)c1sccc1-c1ccc2c(c1)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C2,FLSZVRCIVFPPIY-UHFFFAOYSA-N
-rxn:4:201119:227458,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc5c(c4)OCCN5C)cc3)C2=O)c2ccccc21,SJAVZAMLYXOGIL-UHFFFAOYSA-N
-rxn:4:201124:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(ccn4CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,GHBHYWSCJGVQLH-UHFFFAOYSA-N
-rxn:4:201134:223967,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3C(F)(F)F)c3ccccc23)CC1,PVUZMTVYJANZIN-UHFFFAOYSA-N
-rxn:4:201134:228225,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3C3CC3)c3ccccc23)CC1,IDPVQVJDLSBTJJ-UHFFFAOYSA-N
-rxn:4:201154:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5s4)c4ccccc43)cc2)c(C(F)(F)F)c1,BZOTUXDLAMLXHF-UHFFFAOYSA-N
-rxn:4:201171:222469,COc1ccc(CNC(=O)c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,UXQSXVWSUHKJNA-UHFFFAOYSA-N
-rxn:4:201171:222589,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,ROTRKRJZIVJCJS-UHFFFAOYSA-N
-rxn:4:201171:222838,CC(C)(C)C(=O)NCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,SDZJVXLEAGQAIR-UHFFFAOYSA-N
-rxn:4:201171:223020,N#CCCNC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,JPASOXCABXLHDI-UHFFFAOYSA-N
-rxn:4:201171:223123,CC(C)C(=O)Nc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,MVOOEGAGSKGBKZ-UHFFFAOYSA-N
-rxn:4:201171:223311,O=C(N1CCN=C1SCc1ccc(-c2cccc(C3CNC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,LYLBEZPULIOTNZ-UHFFFAOYSA-N
-rxn:4:201171:223397,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(c2)CCN3)cc1)C12CC3CC(CC(C3)C1)C2,PNEZWZGKUUDMBX-UHFFFAOYSA-N
-rxn:4:201171:223759,COc1cc(COc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc(OC)c1,LQOJFKAPDUBHQS-UHFFFAOYSA-N
-rxn:4:201171:223787,CN1CCN(CCCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2F)CC1,DNLKBNXCEHWJEK-UHFFFAOYSA-N
-rxn:4:201171:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,CWQPIJDKBBKIQS-UHFFFAOYSA-N
-rxn:4:201171:224698,COc1ccccc1-c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cnc1Cl,YRZDHJIFGCGNNP-UHFFFAOYSA-N
-rxn:4:201171:225235,O=C(N1CCN=C1SCc1ccc(-c2cnc(-c3ccccc3F)c(Cl)c2)cc1)C12CC3CC(CC(C3)C1)C2,BVRURDODFWCSEV-UHFFFAOYSA-N
-rxn:4:201171:226314,O=C(N1CCN=C1SCc1ccc(-c2cnn(Cc3ccccc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,DIESYEKYNNJUQC-UHFFFAOYSA-N
-rxn:4:201171:226517,COc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1C#N,MZVFQNXOFXMJLS-UHFFFAOYSA-N
-rxn:4:201171:226569,O=C(N1CCN=C1SCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,QXNNBKQMGTXGNN-UHFFFAOYSA-N
-rxn:4:201171:226636,Cc1ccn(-c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cn2)n1,SUKLKFZUBCWFQA-UHFFFAOYSA-N
-rxn:4:201171:226934,Cc1ccc2c(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cccc2n1,FGYDIALMRXKBDS-UHFFFAOYSA-N
-rxn:4:201171:227274,CC(=O)SCc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,QTXWLYOFFBDYBB-UHFFFAOYSA-N
-rxn:4:201171:227367,CCOc1cc(Cl)c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C,VPHABMPRPUZFTP-UHFFFAOYSA-N
-rxn:4:201171:227812,CC(C)Cc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,MYZCZLCYRQXDRQ-UHFFFAOYSA-N
-rxn:4:201171:228545,N#CCc1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,LQIYZKBPPXOGJO-UHFFFAOYSA-N
-rxn:4:201171:229321,O=C(N1CCN=C1SCc1ccc(-c2ccoc2Cl)cc1)C12CC3CC(CC(C3)C1)C2,WCVAQTHULNQYBH-UHFFFAOYSA-N
-rxn:4:201181:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C(=O)Oc3ccc(C4Oc5ccc(Cl)cc5C5CC(c6ccco6)=NN54)cc3)cc2)c1,HTIBCVMAHVWBFG-UHFFFAOYSA-N
-rxn:4:201182:225168,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2)N1CCCN1CCOCC1,JVUNMGHUSNBMSK-UHFFFAOYSA-N
-rxn:4:201576:222632,N=S(=O)(CC(=O)N1CCC1)c1cccc(-c2cccc(C(=O)NCCN3CCCC3)c2)c1,IBRRNAXNEXJANU-UHFFFAOYSA-N
-rxn:4:201672:224827,CCOC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1cc(OC(F)(F)F)ccc1C(=O)OC,YOMJCPNWWYAJHC-UHFFFAOYSA-N
-rxn:4:201674:222540,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2cccc(C(=O)NCCN3CCCCC3)c2)C1=O,GXZNZQRRUSVBJG-UHFFFAOYSA-N
-rxn:4:201736:222684,CN(C)c1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1C(=O)OC(C)(C)C,VRAFCVMXIFUTRX-UHFFFAOYSA-N
-rxn:4:201743:223481,CCOC(=O)c1c(C)nn(-c2ccccc2-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1C,SBONYRFFVJJDAN-UHFFFAOYSA-N
-rxn:4:201765:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,NDBXPARXMKCNBY-UHFFFAOYSA-N
-rxn:4:201802:222424,CC(C#N)C(=O)C1CCCN(c2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)C1=O,NTFCIKBLJKPAJU-UHFFFAOYSA-N
-rxn:4:201816:226844,CN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GJUXZAJJNMTLRB-UHFFFAOYSA-N
-rxn:4:201837:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc(C5CN(C(=O)OC(C)(C)C)CCO5)s4)c3)cccc12,YFNDMTYSASZXJJ-UHFFFAOYSA-N
-rxn:4:201907:227762,O=C(Cc1ccc(-c2cccc(Cl)c2C(F)(F)F)cc1)N1CCC(N2C(=O)COC2=O)C1,OXSAVEZSIHBAHB-UHFFFAOYSA-N
-rxn:4:201934:223883,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)C1,YDPRRTQEIGHEOE-UHFFFAOYSA-N
-rxn:4:201934:224371,COC(=O)C1CCN(c2ncc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccn3)cn2)CC1,QINBOYQSUVMKTG-UHFFFAOYSA-N
-rxn:4:201938:222881,CCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NC(C)(C)C)cc3F)cc2)CC1,HISHTYJRIPSOEI-UHFFFAOYSA-N
-rxn:4:201946:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)c1,YUKZYDXHLFCZGN-UHFFFAOYSA-N
-rxn:4:201963:225542,CCCCCc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCN(CC)CC2)c(F)c1F,KQKVSPWLKFAJHL-UHFFFAOYSA-N
-rxn:4:201969:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1C(=O)N1CCC(N2C(=O)CSC2=O)C1,CCCAXFAMYPJFQK-UHFFFAOYSA-N
-rxn:4:201975:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,JVFSWNKEFQYRRL-UHFFFAOYSA-N
-rxn:4:201992:225898,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnn(CCN4CCOCC4)c3)nc2)C1,ZFFRJUGEUBLCAZ-UHFFFAOYSA-N
-rxn:4:201998:224718,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCOCC3)nc2)ccn1,RRFDHDSKANDQKM-UHFFFAOYSA-N
-rxn:4:202004:222424,CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cc1S(=O)(=O)N1CCN(C)CC1,OXMZMJPOQXWLQC-UHFFFAOYSA-N
-rxn:4:202013:225351,COC(=O)c1c(-c2cccc(CN3CCN(S(=O)(=O)C4CC4)CC3)c2)cccc1C(F)(F)F,FBDVNCYMAOPUQF-UHFFFAOYSA-N
-rxn:4:202015:225977,CC(C)(C)OC(=O)c1cc(-c2cc(Cl)cnc2N2CCOCC2)cnc1N1CCOCC1,WXSHNTKLARBBRQ-UHFFFAOYSA-N
-rxn:4:202022:225898,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnn(CCN3CCOCC3)c2)cn1,FRRFGGGXIFFSNS-UHFFFAOYSA-N
-rxn:4:202023:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cc(CN2CCN(C3CC3)CC2)cc(C(F)(F)F)c1,GVWJVPWCCGGULA-UHFFFAOYSA-N
-rxn:4:202066:224018,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)CC1,NHPVVQLOBNCNPC-UHFFFAOYSA-N
-rxn:4:202079:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncc4)CC3)cc2)cc1,IMLWSIVBQZTUJU-UHFFFAOYSA-N
-rxn:4:202086:224573,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3ccc(N4CCCCC4C)cc3C#N)C2)ccc1F,SBNBMGHLQMFQKE-UHFFFAOYSA-N
-rxn:4:202095:222913,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(CNS(=O)(=O)C2CC2)cc1,XHDVGYSNZGOVMT-UHFFFAOYSA-N
-rxn:4:202101:222515,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1,CMMACGAWWDPOOG-UHFFFAOYSA-N
-rxn:4:202104:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XUXSLVCOXLKYTC-UHFFFAOYSA-N
-rxn:4:202105:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)c1F,PYFQOJDEYIZAFQ-UHFFFAOYSA-N
-rxn:4:202127:222584,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,VNTYTDRGWBUNLC-UHFFFAOYSA-N
-rxn:4:202127:224863,CC(C)N(Cc1ccccc1-c1cnccc1C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C,WEACMMQMBMTZMP-UHFFFAOYSA-N
-rxn:4:202137:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2F)CC1,IRACEYGLGRTDBP-UHFFFAOYSA-N
-rxn:4:202152:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CC(c3ccco3)=NN2C(=O)C2CCCO2)cc1,UDJMMGCFUWAILC-UHFFFAOYSA-N
-rxn:4:202152:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)c1,RLGZCQWCRRBUHD-UHFFFAOYSA-N
-rxn:4:202166:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,ZYXVBWLDYWXMCU-UHFFFAOYSA-N
-rxn:4:202167:225507,COC(=O)C1CCc2cc(-c3ccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)cc3)ccc21,HMCWCTRYMUTUTR-UHFFFAOYSA-N
-rxn:4:202167:225735,CCOc1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)cc(Cl)c1OCC,BJJRSQGFQHYRHW-UHFFFAOYSA-N
-rxn:4:202173:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)c1,AYJIGKJEKBULFY-UHFFFAOYSA-N
-rxn:4:202193:222389,CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,YNZZGQQXMOGKHJ-LOYHVIPDSA-N
-rxn:4:202214:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1,NYHNOIJXQVPAQN-UHFFFAOYSA-N
-rxn:4:202215:224404,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,XVKDOLJLSUYITO-UHFFFAOYSA-N
-rxn:4:202224:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,SBOOOQBVSNLXMC-UHFFFAOYSA-N
-rxn:4:202229:224760,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,WFIIDSFLUDXQQN-UHFFFAOYSA-N
-rxn:4:202233:222500,CC1CCCN(c2ccc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3F)c(C(=O)OC(C)(C)C)n2)C1,QRROATSMQIEWFZ-UHFFFAOYSA-N
-rxn:4:202241:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)c3)ccc2F)CC1,JGEWQZNTVAVMED-UHFFFAOYSA-N
-rxn:4:202250:222896,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c(F)c2)CC1,PNIBAUYELLJHBK-UHFFFAOYSA-N
-rxn:4:202252:222540,Cc1ccc(S(=O)(=O)N2CCN(C(=S)c3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)CC2)cc1,QULUHUBJHDHFLB-UHFFFAOYSA-N
-rxn:4:202254:223867,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(OCCCN5CCC(C)CC5)c4)cc3)CC2c2ccco2)cc1,VGXNJXHQHYTAMY-UHFFFAOYSA-N
-rxn:4:202277:228316,CCOc1ncc(Cl)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCC2)c1,NKHPIFQTFRDKCO-UHFFFAOYSA-N
-rxn:4:202284:225809,COc1ccc(-c2cc(F)ccc2OC2CCOC2)cc1CN1CCC(N2CCCC2)CC1,QCAYIVQTDWRSHQ-UHFFFAOYSA-N
-rxn:4:202284:226382,COc1ccc(-c2cnc(C3CCCCC3)nc2)cc1CN1CCC(N2CCCC2)CC1,PIBJJJFOOHFXGL-UHFFFAOYSA-N
-rxn:4:202290:222804,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(NC5CCS(=O)(=O)CC5)cc4)cc3)CC2)C1,NARZCIJGDSGCMN-UHFFFAOYSA-N
-rxn:4:202290:226255,CCCCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCC(N3CCC(OC)C3)CC2)cc1,FFWHLJQFPBHVKD-UHFFFAOYSA-N
-rxn:4:202295:224683,COc1cc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,AKBILBSSYPXNJJ-UHFFFAOYSA-N
-rxn:4:202337:223168,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccnc4N4CCNCC4)o2)CC3)cc1,NLKQBXDTNIPCPH-UHFFFAOYSA-N
-rxn:4:202346:222540,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)=NC23CCCCCC3)cc1,LEKSNZUANLBOEA-UHFFFAOYSA-N
-rxn:4:202346:223755,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)=NC23CCCCCC3)cc1,NMESFBBOHSHTGZ-UHFFFAOYSA-N
-rxn:4:202346:228444,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(Cl)c(C(F)F)c4)cc3)=NC23CCCCCC3)cc1,ZNMWILVZHSINQS-UHFFFAOYSA-N
-rxn:4:202347:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(C)cc4)c3)cc2)CC1,SQBFJEJVEFNZNG-UHFFFAOYSA-N
-rxn:4:202356:222397,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C(=O)NCCc2c[nH]cn2)cc1,CDHJDUSHURTMME-UHFFFAOYSA-N
-rxn:4:202356:222415,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(F)c(S(N)(=O)=O)c1,KSKYTBRELJWWMH-UHFFFAOYSA-N
-rxn:4:202356:222511,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1,WJIWHUZNFHNJKR-UHFFFAOYSA-N
-rxn:4:202356:222550,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(F)c(C(=O)NCc2ccccc2)c1,XPVHDZQETZBYJG-UHFFFAOYSA-N
-rxn:4:202356:222587,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cc(NCc2ccccc2)cc([N+](=O)[O-])c1,SMEOELDDGDABCZ-UHFFFAOYSA-N
-rxn:4:202356:222684,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,FEIAVGNBSJRFSZ-UHFFFAOYSA-N
-rxn:4:202356:222965,CCCC(=O)NCc1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1,VEEZHTRHCKNKQI-UHFFFAOYSA-N
-rxn:4:202356:223097,CNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc([N+](=O)[O-])c1,OXLOWXPNVOHCMV-UHFFFAOYSA-N
-rxn:4:202356:223120,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(C(=O)NC2CC2)c1,KXAGWNCIICCHDK-UHFFFAOYSA-N
-rxn:4:202356:223169,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCNCC2)nc1,LYFBSUGMSOKJLW-UHFFFAOYSA-N
-rxn:4:202356:223170,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCCNC2)nc1,MQEASCMZCPFWSX-UHFFFAOYSA-N
-rxn:4:202356:223955,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(SCc2ccccc2[N+](=O)[O-])cc1,HAHBSEWMPFMLJS-UHFFFAOYSA-N
-rxn:4:202356:224080,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(OCCCN2CCCCC2)cc1,UZUOZHJYSFRQDE-UHFFFAOYSA-N
-rxn:4:202356:224247,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,POYSNSSBKPDHLM-UHFFFAOYSA-N
-rxn:4:202356:225583,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(C(=O)N2CCCC2)c1,OULAKNYTYKMRGO-UHFFFAOYSA-N
-rxn:4:202356:226319,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C(=O)N2CCC2)cc1,QFXMNBADKAITOG-UHFFFAOYSA-N
-rxn:4:202356:226333,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(C(=O)N2CCC2)c1,HZMBJSJUYNZNGD-UHFFFAOYSA-N
-rxn:4:202356:227248,CCCOc1cc(Cl)cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c1,OIGBOPANPPRLEI-UHFFFAOYSA-N
-rxn:4:202356:227590,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(CC(F)(F)F)cc1,GSEFXTJXHSNHSA-UHFFFAOYSA-N
-rxn:4:202366:223559,CCOC(=O)C(C)c1cn2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)sc2n1,NOPMTPXNLNOGSE-UHFFFAOYSA-N
-rxn:4:202383:223787,CCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,WXUPZLWNQIDKKR-UHFFFAOYSA-N
-rxn:4:202492:223888,CC(C)(C)OC(=O)Cn1cnc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2c1=O,FETXQPSFUYVEPH-UHFFFAOYSA-N
-rxn:4:202561:222540,COC(=O)CN1C(C)=Nc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2C1c1ccccc1,YZMGQGMNZQHEAC-UHFFFAOYSA-N
-rxn:4:202568:222540,COC(=O)CN1C(C)=Nc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2C1c1ccccc1Cl,PGRYRJJOCYYKFU-UHFFFAOYSA-N
-rxn:4:202592:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2c(CO[Si](C)(C)C(C)(C)C)nn3c2CCC3)cc1,DCAQZEJKQSWMBN-UHFFFAOYSA-N
-rxn:4:202596:225056,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccc(N5CCCC(C)C5)cc4F)cc32)SC1=S,IFKCRZJQBVGZNP-UHFFFAOYSA-N
-rxn:4:202602:226730,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4cnc(OC5CCC5)nc4Cl)cc3)N2C1=O,CTDCAZXBWGETEF-UHFFFAOYSA-N
-rxn:4:202620:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c1,PWGQSBLBRNDSDS-UHFFFAOYSA-N
-rxn:4:202625:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)Oc3ccc4nc(N5CCCCC5)sc4c3)cc2)CC1,PRYRTMLUNFDFIT-UHFFFAOYSA-N
-rxn:4:202633:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4cccc5cccnc45)C3)c2)c1,INECAVNDISRNTH-UHFFFAOYSA-N
-rxn:4:202658:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc4cncc(C5CCN(C(=O)OC(C)(C)C)C5)c4c3)ccc2c1,SDGHPGLFIGXDTF-UHFFFAOYSA-N
-rxn:4:202658:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1,TVSNQTZQLIERIL-UHFFFAOYSA-N
-rxn:4:202676:223761,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc21,MZELBTZBLLIFGL-UHFFFAOYSA-N
-rxn:4:202677:222636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)ccnc21,BXHGEQPWNVFJGH-JOCHJYFZSA-N
-rxn:4:202678:223885,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc21,IDFMEKBYTZLNSG-UHFFFAOYSA-N
-rxn:4:202701:222716,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c(C(=O)N2CC(N3CCc4ccccc4C3)C2)c1,ILHMGKAPZIQLAI-UHFFFAOYSA-N
-rxn:4:202707:222838,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cc3F)C3CS(=O)(=O)CC32)c1,AJLBSJCEUJYQQK-UHFFFAOYSA-N
-rxn:4:202707:223993,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3F)C3CS(=O)(=O)CC32)c1,JXMPQRLQOLLWQG-UHFFFAOYSA-N
-rxn:4:202707:224973,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(CN5CCN(C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,VOGSNFAOBNUFMM-UHFFFAOYSA-N
-rxn:4:202708:222583,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21,UZEBLNKTZDDXHI-UHFFFAOYSA-N
-rxn:4:202712:227908,CC(C)Cc1ncccc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,TZZIXZGJOBOMCN-NRFANRHFSA-N
-rxn:4:202714:224269,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cn(C(=O)OC(C)(C)C)c5cnccc45)cc23)C1,MPBUPBKXADAYJX-UHFFFAOYSA-N
-rxn:4:202726:228567,CCC(C)c1sccc1-c1ccc2c(c1)CCN2C1CCN(C(=O)OC(C)(C)C)CC1,GQYSENOBMDFQRK-UHFFFAOYSA-N
-rxn:4:202728:222684,O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(N2CCc3ccccc3C2)C1,BKCSTJIHSKGQQV-UHFFFAOYSA-N
-rxn:4:202733:222632,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc3F)C3CS(=O)(=O)CC32)cc1,RXDDBMZEVBNZNC-UHFFFAOYSA-N
-rxn:4:202743:222633,CCc1ccc(N2CCN(C(=O)c3cc4cc(-c5ccc(C(=O)NCCN6CCCC6)cc5)ccc4oc3=O)CC2)cc1,IQUBRKKIMYHVMJ-UHFFFAOYSA-N
-rxn:4:202749:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccccc23)cc1,HGFRXYOBBSXEOD-UHFFFAOYSA-N
-rxn:4:202778:225743,CCn1c2c(c3cc(-c4cc(CC(=O)OC)ccc4OC)ccc31)CN(C(=O)OC(C)(C)C)CC2,DKCGTYYSOILFOU-UHFFFAOYSA-N
-rxn:4:202807:222588,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1,YGQNVFOGIRMHRF-UHFFFAOYSA-N
-rxn:4:202807:222724,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1,ZIUXPPMMEDMOGZ-UHFFFAOYSA-N
-rxn:4:202807:223816,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc3c(Cl)ccnc3n2COCC[Si](C)(C)C)cc1,ATPIXEGERVNQPE-UHFFFAOYSA-N
-rxn:4:202807:223834,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,WDDNYHCZZSSFSJ-UHFFFAOYSA-N
-rxn:4:202807:224663,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cc1,VMIQMHKJRZFBPJ-UHFFFAOYSA-N
-rxn:4:202807:225005,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(C)N3CCOCC3)c2)cc1,COIYSETVUUFVSH-UHFFFAOYSA-N
-rxn:4:202807:226552,CCCOc1c(F)cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1Cl,MBWWSDSQMJQYHX-UHFFFAOYSA-N
-rxn:4:202807:226738,CC(=O)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c([N+](=O)[O-])c1,QKVHVCLOQFPTFW-UHFFFAOYSA-N
-rxn:4:202807:227013,CCOc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1CC,RPOSPWUXWMZLNM-UHFFFAOYSA-N
-rxn:4:202807:227065,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)C(C)C)c2)cc1,JFVVCMFEPSIDKL-UHFFFAOYSA-N
-rxn:4:202987:223491,Cc1nn(CCCF)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,JCQSFNHPVKIVMZ-UHFFFAOYSA-N
-rxn:4:203164:223828,CCN1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3C(=O)N(C)C)cc(C(F)(F)F)c2)CC1,BBMLFLPNGJAGCS-UHFFFAOYSA-N
-rxn:4:203595:224484,CC(C)N(C(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1CN1CCC(F)(F)C1)C(C)C,PWMJYACSVQNGHB-UHFFFAOYSA-N
-rxn:4:203617:224336,N#Cc1cc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)c(N2CCOCC2)cc1C(F)(F)F,XKUNCQSYZYVLLO-UHFFFAOYSA-N
-rxn:4:203644:222604,COc1ccc(-c2cccnc2OC2CCN(S(C)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,HYZBQLLRBVJIEL-UHFFFAOYSA-N
-rxn:4:203644:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccnc1OC1CCN(S(C)(=O)=O)C1,NRRRDEJAQYTUCX-UHFFFAOYSA-N
-rxn:4:203692:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,UMFMOZMKMFOTMJ-UHFFFAOYSA-N
-rxn:4:203726:224249,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cnc1N1CCCCC1,WIHHPUFKASNOOS-UHFFFAOYSA-N
-rxn:4:203731:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CC(N4CCCC4)C3)o2)CC1,OOYTUWOBPCDCNZ-UHFFFAOYSA-N
-rxn:4:203779:222896,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2Cl)CC1,BCUNADQYHQRASQ-UHFFFAOYSA-N
-rxn:4:203802:222583,CN1CCN(CC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)CC1,VVVSPGOUSDTBNL-UHFFFAOYSA-N
-rxn:4:203835:222582,CS(=O)(=O)N1N=C(c2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cc2)CC1c1ccco1,XWIUBPPYDIJTNJ-UHFFFAOYSA-N
-rxn:4:203841:226503,CON(C)C(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)c1,UCHRDFYMTFNDMI-UHFFFAOYSA-N
-rxn:4:203868:222465,CCN1CCN(Cc2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,BIBZHWKUDVVELA-UHFFFAOYSA-N
-rxn:4:203905:222606,CCN1CCN(c2cc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cc(C(F)(F)F)c2)CC1,XVVSYPOBMJNORZ-UHFFFAOYSA-N
-rxn:4:203940:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,TYHFEODGLKIOOM-UHFFFAOYSA-N
-rxn:4:203945:224360,COC(=O)c1ccc(-c2ccc(C3=NN(C(C)=O)C(c4ccc(C)o4)C3)cc2)n1C(=O)OC(C)(C)C,NZEPCNNIJWPVET-UHFFFAOYSA-N
-rxn:4:203972:222960,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)c(C)c2)CC1,SUUBTQSDABZNQY-UHFFFAOYSA-N
-rxn:4:203976:222978,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)NC4CCC4)cc3)cc2Cl)CC1,PARQRQVIPHHSJN-UHFFFAOYSA-N
-rxn:4:203993:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3)c(F)c2)CC1,MYUOJDFQSJGGDB-HCGLCNNCSA-N
-rxn:4:204004:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2CN2CCN(C(C)C)CC2)cc1,FVABDEDLMPJGBY-UHFFFAOYSA-N
-rxn:4:204010:222916,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(C(=O)NC4=NCCS4)c3)n2)CC1,KKBDJWGISIKJQH-UHFFFAOYSA-N
-rxn:4:204046:225721,CCN(CC)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cn1,CHAURUGJKORPOY-UHFFFAOYSA-N
-rxn:4:204048:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC4(C)C)cc3)c(F)c2)CC1,VZBFCWLJMHMTIG-UHFFFAOYSA-N
-rxn:4:204069:225319,Cc1cc(-c2cc(F)c(F)c(N3CCOCC3)c2)ccc1C(=O)N1CCC(N(C)C)CC1,PTDTYTQETRAEBT-UHFFFAOYSA-N
-rxn:4:204093:224008,CC(C)N1CCCC(Cc2cncc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c2)CC1,BIDWEIDOFAEMTC-UHFFFAOYSA-N
-rxn:4:204093:224683,CC(C)N1CCCC(Cc2cncc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)CC1,KVUHJXVMSONYPV-UHFFFAOYSA-N
-rxn:4:204115:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,GHFZLDQXILZUNW-UHFFFAOYSA-N
-rxn:4:204128:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCC3)cc1,CFSYARRGGCZUPT-UHFFFAOYSA-N
-rxn:4:204130:223979,O=C(c1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc([N+](=O)[O-])c1)N1CCCCC1,YGPQRDCLXJJVGO-UHFFFAOYSA-N
-rxn:4:204135:223174,CCS(=O)(=O)Nc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1,NNNRONFVVYPAGB-UHFFFAOYSA-N
-rxn:4:204148:222858,CC1CCCN(Cc2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2N2CCCC2)C1,XRJJIFNRCYCJDP-UHFFFAOYSA-N
-rxn:4:204158:223895,CCN1CCN(CCOc2ccc(-c3cc(Cl)c(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)cc2)CC1,ALVIKWHMSZWDOY-UHFFFAOYSA-N
-rxn:4:204165:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1,QZQZYGKVFPXPII-UHFFFAOYSA-N
-rxn:4:204172:223074,CC1CCN(Cc2ccc(-c3cccc(NS(=O)(=O)C4CC4)c3)cc2N2CCCCC2)CC1,MSNVYPCBTAIGAA-UHFFFAOYSA-N
-rxn:4:204175:224373,COc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)cc1S(=O)(=O)N1CCCC1,WHFSPAAKLDUXBP-UHFFFAOYSA-N
-rxn:4:204175:226892,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3cc(F)cc(C(F)(F)F)c3Cl)cc2)=NC12CCCCCC2,FHVWLANGOWLMNP-UHFFFAOYSA-N
-rxn:4:204176:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)cc2)CC1,QNWVTNDCDWVRST-UHFFFAOYSA-N
-rxn:4:204512:224059,COc1c(-c2ccnc3c2CN(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)cc1C(C)(C)C,LRBOWVNWDYANSI-UHFFFAOYSA-N
-rxn:4:204551:225607,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(C(C)N4CCCCC4)s3)cs1)C2,NHKNCOKMWHSPAG-UHFFFAOYSA-N
-rxn:4:204563:223753,Cc1ccc(-c2cccc(C=Nc3sc4c(c3C#N)CCCC4)c2)cc1OCCCN1CCN(C)CC1,AHKXKAFUXMKAQF-UHFFFAOYSA-N
-rxn:4:204609:223568,COC(=O)c1nn(C2CCCCO2)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c12,UUNDQLLLOXMKMC-UHFFFAOYSA-N
-rxn:4:204612:224022,COC(=O)c1nn(C2CCCCO2)c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc12,QDOACVLBOBXGPZ-UHFFFAOYSA-N
-rxn:4:204689:223239,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cncc(C4CCCN4)c3)ccc21,IUEBEFFGWCRWCI-UHFFFAOYSA-N
-rxn:4:204697:228428,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cc(OC)cc(F)c2F)cc1,WPCZCUTZPIBEEQ-UHFFFAOYSA-N
-rxn:4:204722:222879,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2c(Cl)cccc2NC(=O)C(C)(C)C)c1,VMSBRQQMMQZLKY-UHFFFAOYSA-N
-rxn:4:204723:227937,CC(C)Sc1cccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)c1,DGVMLQHOVNNBOD-UHFFFAOYSA-N
-rxn:4:204744:223092,CN(C)S(=O)(=O)Nc1cccc(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,RKSJGJKMAISEEZ-UHFFFAOYSA-N
-rxn:4:204752:224612,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccccc1)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,IWSSHXDDFOQXLM-UHFFFAOYSA-N
-rxn:4:204764:226844,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,MSXNMZDRTCYAGW-UHFFFAOYSA-N
-rxn:4:204764:228923,CSc1ccnc(F)c1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,REGYQQBRJJLCTO-UHFFFAOYSA-N
-rxn:4:204781:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccccc1C(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,VIWIGYYWVQGHFO-UHFFFAOYSA-N
-rxn:4:204790:224595,COc1ccc(N2C(=O)N(c3ccc(-c4ccc(N5CCCC(C)C5)cc4OC)cc3)C3CS(=O)(=O)CC32)cc1,OGRTYFPYADPYCM-UHFFFAOYSA-N
-rxn:4:204804:222985,Cc1nc(C2CCCNC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,DBACJRRWXQDZFP-UHFFFAOYSA-N
-rxn:4:204804:227962,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc(C2CC2)n1,INXNYCYVHVHGTO-UHFFFAOYSA-N
-rxn:4:204805:224324,O=C1CCN(C(=O)c2cc(-c3ccc(N4C=C(C(=O)N5CCOCC5)S(=O)(=O)c5ccccc54)cc3)ccc2F)CC1,HODXTOZZIICPBN-UHFFFAOYSA-N
-rxn:4:204807:222935,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,VFOUXCOKFNWDIF-UHFFFAOYSA-N
-rxn:4:204813:222684,CC(C)c1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)C(=S)N32)cc1,VQSXAMWCHLDTEN-UHFFFAOYSA-N
-rxn:4:204813:224612,CC(C)c1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)C(=S)N32)cc1,KKQCHZLEFMUFJS-UHFFFAOYSA-N
-rxn:4:204829:224667,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(Cl)c(CN2CCN(C)CC2)c1,BYDAXEIFUPYRPC-UHFFFAOYSA-N
-rxn:4:204830:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1,ZDYDFITYEPOPSA-UHFFFAOYSA-N
-rxn:4:204834:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)cc1OCCCN1CCN(C)CC1,VPAUNNUAUIQPGS-UHFFFAOYSA-N
-rxn:4:204834:224470,COCCOc1ccc2cc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)ccc2c1,HPDIWZRGOGVEOC-UHFFFAOYSA-N
-rxn:4:204842:224258,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(C(=O)N2CCCCC2C)cc1Cl,BFAGGGRPIZRPFG-UHFFFAOYSA-N
-rxn:4:204846:224766,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cc(N5CCCC5)cc(C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,HXUOTGKKEFOHJG-UHFFFAOYSA-N
-rxn:4:204870:225540,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(C#N)c(OCC(C)C)c1,BRJDNTSMJJKTHS-UHFFFAOYSA-N
-rxn:4:204877:224198,CCN1CCN(Cc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3C)c(F)c2)CC1,NHJQZGDBPVXQPD-UHFFFAOYSA-N
-rxn:4:204895:224810,CC(C)(C)OC(=O)N1CCc2c([nH]c3ccc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)cc23)C1,SHUIEAOIXRXMHK-UHFFFAOYSA-N
-rxn:4:204898:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc2[nH]c3c(c12)CN(C(=O)OC(C)(C)C)CC3,CXKJKECWEYUKLI-UHFFFAOYSA-N
-rxn:4:204955:223107,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)ccc2OC3C2CCCCC2)cc1,HNFGJYCJXYGHNE-UHFFFAOYSA-N
-rxn:4:204955:224612,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCN5CCOCC5)cc4)ccc2OC3C2CCCCC2)cc1,WKCOEOZFEUQJOL-UHFFFAOYSA-N
-rxn:4:204955:227611,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnn4C4CCCCO4)ccc2OC3C2CCCCC2)cc1,SQMGFQKWRYTBPW-UHFFFAOYSA-N
-rxn:4:205513:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(C(=O)N(C)C)cnc1Cl,ZWBUPGJYVMXUMC-UHFFFAOYSA-N
-rxn:4:205818:223490,Cc1ccc(-c2cc(-c3ncc[nH]3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FXINRUVHGHFKCK-UHFFFAOYSA-N
-rxn:4:205885:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncc(C(=O)N4CCOCC4)s3)cc2F)CC1,SAJDQNNJMMMYFM-UHFFFAOYSA-N
-rxn:4:205885:223786,CN1CCN(CCCOc2ccc(-c3ncc(C(=O)N4CCOCC4)s3)cc2Cl)CC1,DUOSUIPYAOQSGV-UHFFFAOYSA-N
-rxn:4:206441:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nc(C(=O)N4CCOCC4)ccc3F)c2)CC1,LEBTXLUPWUGIGG-UHFFFAOYSA-N
-rxn:4:206447:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCCC3)cc2)CC1,ZSEPVVNJMSRGDX-UHFFFAOYSA-N
-rxn:4:206575:223712,COc1ccc(-c2cc(C(=O)N3CCCCC3)ccn2)cc1C12CC3CC(CC(C3)C1)C2,KPXDYMKRINLKEC-UHFFFAOYSA-N
-rxn:4:206613:222719,CN1CCN(C(=O)c2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c(Cl)o2)CC1,IKKXHUODPJGLMC-UHFFFAOYSA-N
-rxn:4:206665:223753,Cc1ccc(-c2sc(N3CCCC3)nc2C(C)C)cc1OCCCN1CCN(C)CC1,COFNZXOFJLCGBC-UHFFFAOYSA-N
-rxn:4:206669:223812,COc1nc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cn1C1CCCCC1,IAACHNLRITYFIL-UHFFFAOYSA-N
-rxn:4:206694:222585,CS(=O)(=O)N1CCCC1c1cccc(-c2ccccc2C(=O)NCCN2CCOCC2)n1,WJKBRGSZWCORHQ-UHFFFAOYSA-N
-rxn:4:206767:224323,Cc1cc(-c2cc(N3CCCC(F)(F)C3)c([N+](=O)[O-])cc2F)cc(C)c1S(=O)(=O)N1CCCC1,VENWMFGPFMMCFJ-UHFFFAOYSA-N
-rxn:4:206786:223712,COc1ccc(-c2cnccc2N2CCC(OC)CC2)cc1C12CC3CC(CC(C3)C1)C2,NVGKVNPTZFTEOU-UHFFFAOYSA-N
-rxn:4:206807:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)s1,AKUAJZCNQIFPNJ-UHFFFAOYSA-N
-rxn:4:206821:223753,Cc1ccc(-c2ccc(N3C(=O)C(=Cc4ccncc4)SC3=S)cc2)cc1OCCCN1CCN(C)CC1,NYAPCOIVSWOIFZ-UHFFFAOYSA-N
-rxn:4:206957:224063,CC1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)c2)CC1,OXPHZWPVJMRKEK-UHFFFAOYSA-N
-rxn:4:206957:224064,CC1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)c2)CC1,VQOGOIKWARZYNI-UHFFFAOYSA-N
-rxn:4:206964:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,WZTDFRANTZNGBD-UHFFFAOYSA-N
-rxn:4:206964:224089,CC1CCN(CCOc2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,UVNFRSIKZKDZLS-UHFFFAOYSA-N
-rxn:4:207056:222807,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)CC1,UYGSSSHOIZUWJW-UHFFFAOYSA-N
-rxn:4:207062:224404,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,MTQOKHKTQBAHRY-UHFFFAOYSA-N
-rxn:4:207617:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4C=C(C#N)S(=O)(=O)c5ccc(F)cc54)c3)c(F)cc2C)CC1,AYGSHTOSOQSWHI-UHFFFAOYSA-N
-rxn:4:207736:222604,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)NC1CCCC1,JADXXIXVJJROSW-UHFFFAOYSA-N
-rxn:4:207736:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,NKVIOMZOVCXOFZ-UHFFFAOYSA-N
-rxn:4:207796:222693,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)ccc3oc2=O)CC1,NPHLYHFMJKZKCR-UHFFFAOYSA-N
-rxn:4:207813:222716,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)c3ccccc23)CC1,FAUVMPMZLQZQOB-UHFFFAOYSA-N
-rxn:4:207813:224366,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)c3ccccc23)CC1,RWVMWVOFBZSJBX-UHFFFAOYSA-N
-rxn:4:207815:223893,CCN1CCN(CCOc2cccc(-c3c(C(F)(F)F)c(C)cc4c3c(C)nn4C3CCCCO3)c2)CC1,VCYBMEDRMHTZMY-UHFFFAOYSA-N
-rxn:4:207822:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(c3ccc(N(C)C)cc3)C(=O)CO4)cc2)CC1,QZYZAJUJZVLURC-UHFFFAOYSA-N
-rxn:4:207832:222826,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)C2=O)c2ccccc21,KIRKNTXKQQAOJN-UHFFFAOYSA-N
-rxn:4:207858:226844,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,XDZKEUQYPBSFOD-UHFFFAOYSA-N
-rxn:4:207890:225219,Cc1c(-c2cnc(N3CCCCC3C)cc2F)cnn1CC12CC3CC(CC(C3)C1)C2,OCGVRAPTNQUBMI-UHFFFAOYSA-N
-rxn:4:207956:223743,Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)c2)n1,WCJNXSUTYQKGLO-UHFFFAOYSA-N
-rxn:4:209422:223669,CC1=CC(=O)N(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)C1=O,VVGWZLMMFALPAV-UHFFFAOYSA-N
-rxn:4:210834:222389,CC1CC2OC2(c2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cnn2C)C1,QHGHSQOUDDRTEA-UHFFFAOYSA-N
-rxn:4:211058:222684,Clc1cc(-c2ccc3ccc(N4CCC5(CC4)OCCO5)nc3c2)ccc1OCCN1CCNCC1,KFZPWVNDJINMLT-UHFFFAOYSA-N
-rxn:4:211089:225639,CC1CCN(c2ncccc2-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)CC1,OUJULLUMAJAAHI-UHFFFAOYSA-N
-rxn:4:211096:222584,Fc1cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCCC2)O3)ccc1OCCCN1CCNCC1,OKTVOFXWKJHQQP-UHFFFAOYSA-N
-rxn:4:211101:223138,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCNCC5)c4)ccc2OC32CCC(C)CC2)cc1,FOPUWGQTAQFVOI-UHFFFAOYSA-N
-rxn:4:212514:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n3)cn2)CC1,GASMGSCPMJAUNM-UHFFFAOYSA-N
-rxn:4:212526:225190,COc1cc(N2CCOCC2)ccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCC(C#N)CC1,REGCMCYZORKBMG-UHFFFAOYSA-N
-rxn:4:212552:222724,O=C(CSc1ccncc1)N1CCC(Oc2ncccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)C1,QVTYFCPDXSXXBZ-UHFFFAOYSA-N
-rxn:4:212568:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)cc1,KYSGCVJOXYBTRW-UHFFFAOYSA-N
-rxn:4:212568:222495,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2F)cc1,WHQXMRHTRKPFRV-UHFFFAOYSA-N
-rxn:4:212568:222538,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,YNMZSYHNBHMNCU-UHFFFAOYSA-N
-rxn:4:212568:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,OODNVTJCKRGCON-UHFFFAOYSA-N
-rxn:4:212568:222742,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1,WGULIHSFVUIZEB-UHFFFAOYSA-N
-rxn:4:212568:222788,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,MPNQCQWJMQJAJV-UHFFFAOYSA-N
-rxn:4:212568:222886,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,RILXPTPQGIXUKR-UHFFFAOYSA-N
-rxn:4:212568:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc12,HBPYVTMKNADFHS-UHFFFAOYSA-N
-rxn:4:212568:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,KIYOGQVPGLNDRS-UHFFFAOYSA-N
-rxn:4:212568:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,QYVSQNWQZUYLAU-UHFFFAOYSA-N
-rxn:4:212568:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2F)CC1,WPPXZYMOLKDEKG-UHFFFAOYSA-N
-rxn:4:212568:223681,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc2cc([N+](=O)[O-])ccc21,JLBPUQQWWODHCA-UHFFFAOYSA-N
-rxn:4:212568:223824,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,LESWPNCIGBKTBI-UHFFFAOYSA-N
-rxn:4:212568:223872,CCN(C(=O)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1)C1CCCCC1,DYHCDVNZGMOADX-UHFFFAOYSA-N
-rxn:4:212568:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc2C1,BDHKYIIYFYWGEV-UHFFFAOYSA-N
-rxn:4:212568:224002,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1,HCNPOLJZLQFFEB-UHFFFAOYSA-N
-rxn:4:212568:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,CNGSIAYCDSNVCC-UHFFFAOYSA-N
-rxn:4:212568:224291,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1,GWUZOBDOWNASAT-UHFFFAOYSA-N
-rxn:4:212568:224349,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1,CYSINWNFVMWTOW-UHFFFAOYSA-N
-rxn:4:212568:224414,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1,BMJMXTPRWRCYBJ-UHFFFAOYSA-N
-rxn:4:212568:224424,CCCC1CCC(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc2)CC1,PHBNYHQQJIMQHF-UHFFFAOYSA-N
-rxn:4:212568:224680,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)cc1,OHJIRMJDKNYLRG-UHFFFAOYSA-N
-rxn:4:212568:224704,CC1CCN(c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cc(F)c2F)CC1,YZUNOBPXGSPCED-UHFFFAOYSA-N
-rxn:4:212568:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cnc12,VLOXPCSUQBJKAQ-UHFFFAOYSA-N
-rxn:4:212568:224765,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1,SOWNZTKFBPZGQF-UHFFFAOYSA-N
-rxn:4:212568:224766,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1,BMLOJDPEDWPJQY-UHFFFAOYSA-N
-rxn:4:212568:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,FUHXMBMQINEUPF-UHFFFAOYSA-N
-rxn:4:212568:224804,CC(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1OC(F)(F)F,IQHWHKVPISSXST-UHFFFAOYSA-N
-rxn:4:212568:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,CMPPSVUGSKZFRL-UHFFFAOYSA-N
-rxn:4:212568:224992,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccccc2CN2CCC(=O)CC2)cc1,UNAPXLOHBYGEAX-UHFFFAOYSA-N
-rxn:4:212568:225080,COC(=O)C1CCc2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2O1,NIFVCESQIPHNBF-UHFFFAOYSA-N
-rxn:4:212568:225091,CCCCOc1c(OC)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,JTOKUOYQPBMQGE-UHFFFAOYSA-N
-rxn:4:212568:225270,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,GXLQZCLMDITLOF-UHFFFAOYSA-N
-rxn:4:212568:225322,Cn1nc(C(F)(F)F)c2c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cccc21,AYTVMBDGBPUHFB-UHFFFAOYSA-N
-rxn:4:212568:225357,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(C(F)(F)F)c1,ADNPROAZIYWIOG-UHFFFAOYSA-N
-rxn:4:212568:225554,CC(C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C#N,ALMCIPCZYBPKDE-UHFFFAOYSA-N
-rxn:4:212568:225811,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1,ATZOTHZTBAZVSM-UHFFFAOYSA-N
-rxn:4:212568:225821,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CC3)c(C(F)(F)F)c2)cc1,MGTGQNRNXXMGBM-UHFFFAOYSA-N
-rxn:4:212568:225825,CN1CCN(c2ccc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)CC1,FWHHYBCANDBWOV-UHFFFAOYSA-N
-rxn:4:212568:225852,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCCC3)nc2Cl)cc1,OHKIBVYHEIPFBN-UHFFFAOYSA-N
-rxn:4:212568:225977,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(Cl)cnc2N2CCOCC2)cc1,XEWXYQNWZBXPCY-UHFFFAOYSA-N
-rxn:4:212568:226134,Cc1c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(C#N)cc1C1CC1,YZEGZZQEAWLOFG-UHFFFAOYSA-N
-rxn:4:212568:226149,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(C)(C)C,FOSDSFVEFLJKDM-UHFFFAOYSA-N
-rxn:4:212568:226240,COC(=O)CCc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,PLMTUZVYJWPDBW-UHFFFAOYSA-N
-rxn:4:212568:226301,CCCOc1cc(F)c(C)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,DBNLMMLOHQVDGP-UHFFFAOYSA-N
-rxn:4:212568:226320,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3(C#N)CC3)ccc2F)cc1,QNICQACPPANULJ-UHFFFAOYSA-N
-rxn:4:212568:226440,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)nc(C3CCCC3)c2)cc1,YSSDRAZAPUAVDU-UHFFFAOYSA-N
-rxn:4:212568:226554,CCCOc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,QKZGAFSWAJABRV-UHFFFAOYSA-N
-rxn:4:212568:226691,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(Cl)c(N3CCCC3)c2)cc1,WXYVQUHOMQRHEC-UHFFFAOYSA-N
-rxn:4:212568:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,BVGZJZHUAWWYRZ-UHFFFAOYSA-N
-rxn:4:212568:226747,CCc1ncc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,SFLSLSDCSQKJFF-UHFFFAOYSA-N
-rxn:4:212568:226781,Cc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,QRCFADCXAHKYGR-UHFFFAOYSA-N
-rxn:4:212568:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,YCQQVFYSEHEUDK-UHFFFAOYSA-N
-rxn:4:212568:226849,COc1nccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1C(F)(F)F,LPZXSRGJFFYXDM-UHFFFAOYSA-N
-rxn:4:212568:226986,CCCCSc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1,HYZHVYMQUNJYOF-UHFFFAOYSA-N
-rxn:4:212568:227115,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)cc1C1CC1,DORLFGMUDQBEBG-UHFFFAOYSA-N
-rxn:4:212568:227257,CCCOc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1F,NDRYMISRFNGDCY-UHFFFAOYSA-N
-rxn:4:212568:227408,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1,BQNBKQHWMSSFPD-UHFFFAOYSA-N
-rxn:4:212568:227413,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCC3)cc2F)cc1,DPFYWXHHJNQZNA-UHFFFAOYSA-N
-rxn:4:212568:227520,CC(C)Oc1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cn1,MUIUURZWBFTAGD-UHFFFAOYSA-N
-rxn:4:212568:227663,Cc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1C(F)(F)F,DHHFOVUFABHKPP-UHFFFAOYSA-N
-rxn:4:212568:227677,Cc1ccc(C(F)(F)F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,AHNGHRSRKYNGFC-UHFFFAOYSA-N
-rxn:4:212568:227719,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(OC(F)F)c2)cc1,PMHIADOSGBJELK-UHFFFAOYSA-N
-rxn:4:212568:228002,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2sccc2C2CCCC2)cc1,ZJBAVFLHGVTWKG-UHFFFAOYSA-N
-rxn:4:212568:228498,Cn1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)n1,MWJQOAGWQWCLHF-UHFFFAOYSA-N
-rxn:4:212609:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1,DBKBLLILZLOLSE-UHFFFAOYSA-N
-rxn:4:212610:222632,CCn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,OBSNZHTUSLGXGW-UHFFFAOYSA-N
-rxn:4:212636:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,LPHWYARQAOIWLX-UHFFFAOYSA-N
-rxn:4:212650:224750,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)cn2)C1,JVDMZJIWRYJBDD-UHFFFAOYSA-N
-rxn:4:212674:222684,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,FHAMOHYXWMLWLS-UHFFFAOYSA-N
-rxn:4:212718:222635,COc1cccc(C2CC(c3ccc(-c4cccc([C@H](C)NC(=O)OC(C)(C)C)c4)cc3)=NN2C(=O)c2ccncc2)c1OC,XMGUAWQBQRKZDR-YNBNEFOKSA-N
-rxn:4:212719:225301,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(OC4CCOCC4)ncc3F)cc2)SC1=S,IPMRNRWALKRVNC-UHFFFAOYSA-N
-rxn:4:212721:228232,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CC4)c3)n2)CC1,OTALUTKHWNHBOF-UHFFFAOYSA-N
-rxn:4:212730:223810,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCC(C)CC6)c(C)c5)cc4)C3)n2)c(OC)c1,CKGOCUUQIQNJMS-UHFFFAOYSA-N
-rxn:4:212738:222448,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)NCc4ccccc4)cc([N+](=O)[O-])c3)cc2N2CCOCC2)CC1,RWNLLADTRILWMO-UHFFFAOYSA-N
-rxn:4:212738:222641,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4ccccn4)c3)cc2N2CCOCC2)CC1,FLZPLABFEMJQEQ-UHFFFAOYSA-N
-rxn:4:212738:222748,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc2N2CCOCC2)CC1,BCILMUZJVQFDLE-UHFFFAOYSA-N
-rxn:4:212738:222764,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(NC(=O)c4cccnc4)c3)cc2N2CCOCC2)CC1,ZVQTUESLSAVVQW-UHFFFAOYSA-N
-rxn:4:212738:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,JSWCYHINTGLPBZ-UHFFFAOYSA-N
-rxn:4:212738:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,IOZSAIBYDHJFLC-UHFFFAOYSA-N
-rxn:4:212738:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,GRKOQSJXRBRYAS-UHFFFAOYSA-N
-rxn:4:212738:222934,CCNC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc([N+](=O)[O-])c1,GBKANYRNERIJQH-UHFFFAOYSA-N
-rxn:4:212738:223021,COCCNC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,NRPPZQJWVSWZLU-UHFFFAOYSA-N
-rxn:4:212738:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,ZAQYSVBHCUKQJH-UHFFFAOYSA-N
-rxn:4:212738:223041,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)NC4CC4)ccc3F)cc2N2CCOCC2)CC1,OBXNHSRVQLKQNN-UHFFFAOYSA-N
-rxn:4:212738:223154,CCNC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccc1F,ADPNMWYPGWEHBA-UHFFFAOYSA-N
-rxn:4:212738:223162,CNC(=O)c1ccc(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,ZJCFFYAXIWEWHP-UHFFFAOYSA-N
-rxn:4:212738:223178,CONC(=O)c1ccc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,QNNVKVYOUNGCCJ-UHFFFAOYSA-N
-rxn:4:212738:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccc1F,KSKYTTBTOITJPD-UHFFFAOYSA-N
-rxn:4:212738:223223,CCNC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,HHDDNVKHVJGTFC-UHFFFAOYSA-N
-rxn:4:212738:223255,CONC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,JSKBJGZDVAHMJT-UHFFFAOYSA-N
-rxn:4:212738:223293,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4ncc[nH]4)nc3)cc2N2CCOCC2)CC1,VVLLBBRRJHARLN-UHFFFAOYSA-N
-rxn:4:212738:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc1,CUQRCFDMENMPQR-UHFFFAOYSA-N
-rxn:4:212738:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)c2)c1,GYZREVUGLSGBEF-UHFFFAOYSA-N
-rxn:4:212738:223790,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2N2CCOCC2)CC1,GRVSYUAYKVZHNR-UHFFFAOYSA-N
-rxn:4:212738:223901,CC1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)cc2Cl)CC1,OJUHEBCACXUELD-UHFFFAOYSA-N
-rxn:4:212738:224343,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-c4cccc(C(F)(F)F)c4)c3)cc2N2CCOCC2)CC1,SMGZIPLUMWVRHK-UHFFFAOYSA-N
-rxn:4:212738:224415,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2N2CCOCC2)CC1,YDUBCXGDQMXNNZ-UHFFFAOYSA-N
-rxn:4:212738:224532,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(COc4cccc(Cl)c4)cc3)cc2N2CCOCC2)CC1,XXZJDJLDCMYIOX-UHFFFAOYSA-N
-rxn:4:212738:224895,COc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)cc2)cc1,ULHYZFCZJVHDBS-UHFFFAOYSA-N
-rxn:4:212738:225755,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc(C2CC2)n1,MVVZZXWWOVFJGJ-UHFFFAOYSA-N
-rxn:4:212738:225866,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-n4ccccc4=O)c3)cc2N2CCOCC2)CC1,TTXGTKNERGELAP-UHFFFAOYSA-N
-rxn:4:212738:226103,CCCOc1c(C)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc1C,QLTMRQXXGPSFGH-UHFFFAOYSA-N
-rxn:4:212738:226157,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-c4ccccc4)c3)cc2N2CCOCC2)CC1,FDEPHNGSMWGSQU-UHFFFAOYSA-N
-rxn:4:212738:226516,CCc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc(C(=O)OC)n1,YMZPKUZIECGTMY-UHFFFAOYSA-N
-rxn:4:212738:226720,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c(OC)cn1,QHMGGBSDXPVLLD-UHFFFAOYSA-N
-rxn:4:212738:227429,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-c4cccs4)c3)cc2N2CCOCC2)CC1,WISQFXXVMMAJCE-UHFFFAOYSA-N
-rxn:4:212738:228094,CCCOc1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,ZVLWIXJGKIVRIQ-UHFFFAOYSA-N
-rxn:4:212738:228577,CC#Cc1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,HIDDQXQIOFESJX-UHFFFAOYSA-N
-rxn:4:212743:222540,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)CC1,NPRORMAQMBXTTB-UHFFFAOYSA-N
-rxn:4:212747:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1,XDIHNAIWXNZVAR-UHFFFAOYSA-N
-rxn:4:212761:222633,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)s2)sc2cc(S(N)(=O)=O)ccc21,UTLWRBUZATVSMU-UHFFFAOYSA-N
-rxn:4:212771:222424,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)cc2s1,RHFAMUIKSFYWIJ-UHFFFAOYSA-N
-rxn:4:212771:225979,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2s1,LDZXHDPMYLZNFP-UHFFFAOYSA-N
-rxn:4:212839:223110,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CNC(C)(C)C)cc4)ccn23)CC1,ZYENDMDTTBZCGX-UHFFFAOYSA-N
-rxn:4:212839:223508,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)ccn23)CC1,BEHAZHMTCGZPJT-UHFFFAOYSA-N
-rxn:4:212839:223515,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(N(c5ccc(C)cc5)c5ccc(C)cc5)c4)ccn23)CC1,KPXJUDCUHOKBQS-UHFFFAOYSA-N
-rxn:4:212839:223649,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccn23)CC1,HWCKTXFBBDXSKI-UHFFFAOYSA-N
-rxn:4:212839:223859,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCCc6ccccc65)cc4)ccn23)CC1,SUOCUYYIUCPVTK-UHFFFAOYSA-N
-rxn:4:212839:224034,CCCCc1ccc(-c2ccc(-c3ccn4c(C(C)N5CCN(CC)CC5)c(C)c(C(=O)OC(C)C)cc34)cc2)cc1,OUCCBIBAIXUSPM-UHFFFAOYSA-N
-rxn:4:212839:228232,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)c(C5CC5)c4)ccn23)CC1,KKTODEGQWZGFBQ-UHFFFAOYSA-N
-rxn:4:212839:228713,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccn(C(C)(C)C)n4)ccn23)CC1,VIISILSAQIOQPV-UHFFFAOYSA-N
-rxn:4:212846:222684,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,INHALPXGEUSRMB-UHFFFAOYSA-N
-rxn:4:212872:224325,COCC(=O)N1CC(Cn2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,STOUOICLPFFKIQ-UHFFFAOYSA-N
-rxn:4:212878:222545,COC(=O)c1nnn(-c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2F)c1C(=O)OC,LRWZWVBSNKNSTR-UHFFFAOYSA-N
-rxn:4:212896:222684,O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1,LNFAUQWWVMIGQP-UHFFFAOYSA-N
-rxn:4:212923:224270,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cn2)C1,NGLSFHCRYBJIHU-UHFFFAOYSA-N
-rxn:4:212932:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5nccnc5OC)C4)o3)cc2)CC1,GODHXJAPGCBQQI-UHFFFAOYSA-N
-rxn:4:212933:222541,O=C(NCCN1CCCCC1)c1ccc(-c2cnn(CC3CN(C(=O)c4ccc(C(F)(F)F)cc4)C3)c2)cc1,FIEJHVXRJHZJAP-UHFFFAOYSA-N
-rxn:4:212938:224597,CCC(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1,GOEUJVDZZMJEEV-UHFFFAOYSA-N
-rxn:4:212989:222508,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3Cl)s2)CC1,SAXKPSVAUIESEC-UHFFFAOYSA-N
-rxn:4:212989:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,MJOVDWZZQCEPAV-UHFFFAOYSA-N
-rxn:4:212989:223979,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)s2)CC1,AMVBQKROJPEVRJ-UHFFFAOYSA-N
-rxn:4:212989:225369,COC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c(Cl)c([N+](=O)[O-])c1,SBVACRWZSXEMAP-UHFFFAOYSA-N
-rxn:4:213010:225975,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,XHKZRFRXZLOTKO-KRWDZBQOSA-N
-rxn:4:213038:223098,CC(=O)NS(=O)(=O)c1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,OTDUFXFFSKFAOG-UHFFFAOYSA-N
-rxn:4:213038:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c[nH]2)CC1,IJMSEFAUUHFUQH-UHFFFAOYSA-N
-rxn:4:213053:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,QIVJUJBVVCLLPD-UHFFFAOYSA-N
-rxn:4:213064:223728,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)c(F)c2)CC1,QEQJTUFGPLNQII-UHFFFAOYSA-N
-rxn:4:213074:222937,CC(C)(C)OC(=O)N1CCC(Cn2ccnc2-c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,CULGSTJKJFMFHW-UHFFFAOYSA-N
-rxn:4:213076:223568,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cn2)cc1,RLMHDTDGKTXGRH-UHFFFAOYSA-N
-rxn:4:213080:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,SCPKBFWOILWJRC-UHFFFAOYSA-N
-rxn:4:213090:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2CN2CCC(COc3cnccn3)CC2)cc1,FEQSCKSWCCSONR-UHFFFAOYSA-N
-rxn:4:213094:228091,CCN(CC)c1ccc(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)s1,UZCGBRXSZBCZBQ-UHFFFAOYSA-N
-rxn:4:213097:226716,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cn2)CC1,MRIOMDNLWQWROP-UHFFFAOYSA-N
-rxn:4:213098:223028,CCCNC(=O)c1ccc(F)c(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,IMHJIWKWBXLFTJ-UHFFFAOYSA-N
-rxn:4:213100:224847,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c(C(F)(F)F)n2)CC1,HVXLNBGASXUIMH-UHFFFAOYSA-N
-rxn:4:213122:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CN3CC(c4nc(-c5cccc(C(F)(F)F)c5)no4)C3)cc2)cc1,UMVFVMBULAWIFQ-UHFFFAOYSA-N
-rxn:4:213126:223818,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)nc2)CC1,BHBJJXBMBGBLNH-UHFFFAOYSA-N
-rxn:4:213131:226244,CCCCOc1cccc(F)c1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,AMYWUXNHTZPBTP-UHFFFAOYSA-N
-rxn:4:213135:226844,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,PDSSZQAHUHFBRV-UHFFFAOYSA-N
-rxn:4:213140:222684,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc([N+](=O)[O-])c2)CC1,MFCGXRWXDNMDEQ-UHFFFAOYSA-N
-rxn:4:213142:222699,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2[N+](=O)[O-])CC1,XCUUIWQQSGFSEF-UHFFFAOYSA-N
-rxn:4:213151:223895,CCN1CCN(CCOc2ccc(-c3cc(F)c([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,HHCGYRFPPSIZNC-UHFFFAOYSA-N
-rxn:4:213153:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])c1,CIEGGGBTBDGLCQ-UHFFFAOYSA-N
-rxn:4:213175:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccnc(C)c5)CC4)c3)c2)CC1,FJUHZFMWXROROF-UHFFFAOYSA-N
-rxn:4:213178:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)c(C)o1,BJPIKIUMERANHG-UHFFFAOYSA-N
-rxn:4:213192:225876,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(Cl)ccc3N3CCOCC3)n2)CC1,JINHFEHMCAXHCK-UHFFFAOYSA-N
-rxn:4:213192:228311,CCCc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c(Cl)n1,ZMDFWERIIPTOHW-UHFFFAOYSA-N
-rxn:4:213192:228863,COCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,BTUIITFOOBZSSL-UHFFFAOYSA-N
-rxn:4:213201:223697,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)CC2)ncn1,GSJYKGUEIKCXJL-UHFFFAOYSA-N
-rxn:4:213202:222673,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C(=O)NC4CCCCC4)ccc3Cl)CC2)nn1,MUZCBHDTUVCXET-UHFFFAOYSA-N
-rxn:4:213202:224569,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(OCC4CCCCC4)c3)CC2)nn1,UUIAXCAPUAVBDT-UHFFFAOYSA-N
-rxn:4:213202:225223,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCC(C)CC4)cc3F)CC2)nn1,JXYGECGSPOBRQJ-UHFFFAOYSA-N
-rxn:4:213204:224324,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C(=O)N4CCC(=O)CC4)c3)C2)nc1,MGWPVHDREOASKR-UHFFFAOYSA-N
-rxn:4:213205:225159,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)N5CCOCC5)c4)cc3)C2)nc1,BEFFLQHEFALFBA-UHFFFAOYSA-N
-rxn:4:213218:222972,C[C@H]1CN(Cc2ccc(-c3ccccc3NC(=O)C(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,VBIVUACWEMERJB-IBGZPJMESA-N
-rxn:4:213222:225227,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc2Cl)CC1,BLGMPGQGMBNKPA-UHFFFAOYSA-N
-rxn:4:213236:222723,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1C,DCDXYZCCVOQUMN-UHFFFAOYSA-N
-rxn:4:213236:224376,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cn3)C2)cc1C,RNSCWXVRNPLBHY-UHFFFAOYSA-N
-rxn:4:213264:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1,YRYJRWJQECJETG-UHFFFAOYSA-N
-rxn:4:213268:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c1,CFTCXKLAJOQMHB-QFUXJSLQSA-N
-rxn:4:213271:224511,COc1ccc(-c2ccc(OCc3ccccc3)cc2F)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,GAIYYLJHCTVLQF-UHFFFAOYSA-N
-rxn:4:213279:222638,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,NSSFFCNNGHSYLV-UHFFFAOYSA-N
-rxn:4:213281:223149,CCOc1cc2cn[nH]c2cc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,HYBIXNGADGIYBD-UHFFFAOYSA-N
-rxn:4:213325:223895,C#CCn1c(=NC(=O)c2ccccc2-c2ccc(OCCN3CCN(CC)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21,ALIJARSADPXNGP-UHFFFAOYSA-N
-rxn:4:213338:224817,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1F,CDAROCHYBDOJFH-UHFFFAOYSA-N
-rxn:4:213374:222638,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)ccc21,KDAQPSURTFXDBH-UHFFFAOYSA-N
-rxn:4:213377:222684,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nc3ccccn3c2=O)SC1=S,XLAQGEFORRORFR-UHFFFAOYSA-N
-rxn:4:213453:223279,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)N2C1=O,NUFPZASBRIEJPS-UHFFFAOYSA-N
-rxn:4:213664:222634,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,WNMMAJKZGJTDLZ-UHFFFAOYSA-N
-rxn:4:213664:224253,CCC(=O)N1CCC(Oc2ncc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)cn2)CC1,MLIMGCLCVOCHFZ-UHFFFAOYSA-N
-rxn:4:213754:223480,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)CC1,XVJANHFJTSPDRR-UHFFFAOYSA-N
-rxn:4:213759:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnc(C2CCCN2C(=O)OC(C)(C)C)cn1,KXEPXMUHPAQBTB-UHFFFAOYSA-N
-rxn:4:213759:225899,Cc1cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)n(C(=O)OC(C)(C)C)n1,QNWAFTQKKFNCID-UHFFFAOYSA-N
-rxn:4:213786:224502,CN1CCCCC1COc1cccc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c1,KSOOLWVLVILJBH-UHFFFAOYSA-N
-rxn:4:213788:224746,CC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)c3)cn2)CC1,MSEKQWDOESMEDI-UHFFFAOYSA-N
-rxn:4:213795:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,UZYSFTHOZRHOES-UHFFFAOYSA-N
-rxn:4:213800:222684,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ncn1,NQDWJSYCKFIDIV-UHFFFAOYSA-N
-rxn:4:213800:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ncn2)cc1,ZPEZGEGLADOLRQ-UHFFFAOYSA-N
-rxn:4:213803:222584,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,YOLFZFCFGHAGBL-UHFFFAOYSA-N
-rxn:4:213805:225364,Cc1cc(F)c(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)cc1S(=O)(=O)N(C)C,RHJWVVJCEZHCMG-UHFFFAOYSA-N
-rxn:4:213835:224078,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,YRAKTSAGVKUMLL-UHFFFAOYSA-N
-rxn:4:213883:224269,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cn(C(=O)OC(C)(C)C)c2cnccc12,PLFAHEGZWOVQPP-UHFFFAOYSA-N
-rxn:4:213886:222684,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,HNHCKCHENKTUNA-UHFFFAOYSA-N
-rxn:4:213898:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(Cl)c2)CC1,OVWIJTIUCDCONH-UHFFFAOYSA-N
-rxn:4:213901:225980,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,NENCOIUOUUDEQK-UHFFFAOYSA-N
-rxn:4:213942:223533,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,TVDFLYBAHPARHI-UHFFFAOYSA-N
-rxn:4:213942:225218,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCCC(C)C2)c(Cl)c1,GOJIYINREUCRSA-UHFFFAOYSA-N
-rxn:4:213943:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,ZSHYQFDFPMXXBI-UHFFFAOYSA-N
-rxn:4:213947:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,KPJJTZKVNOLMJJ-UHFFFAOYSA-N
-rxn:4:213948:224949,COc1ccc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cc1CN1CCCC1,HMSGTBUEBLQJKE-UHFFFAOYSA-N
-rxn:4:213949:224398,Cc1cc(C)n(CC2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)o3)CC2)n1,HKZOKIFHKVDPJV-UHFFFAOYSA-N
-rxn:4:213961:222583,Cc1cnccc1OCC1CCN(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,ZFGXOMCLDUUYCB-UHFFFAOYSA-N
-rxn:4:213987:225915,CCOc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1C(F)(F)F,PCKWCWDZPOGVSZ-UHFFFAOYSA-N
-rxn:4:214002:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C)CC2)cc1,SHMVKZNWRWEGRC-UHFFFAOYSA-N
-rxn:4:214002:223755,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)CC1,RKWUNHCYXGOYKS-UHFFFAOYSA-N
-rxn:4:214012:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,NODPXOMFPJACTD-UHFFFAOYSA-N
-rxn:4:214015:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCC(C#N)CC5)c(N5CCOCC5)c4)c3)cccc12,ZBXQDBRZUQAZRT-UHFFFAOYSA-N
-rxn:4:214033:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1,UHULVILXEUKGCV-DHIUTWEWSA-N
-rxn:4:214033:227038,COc1ccc(C(C)C)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,WLERKNHPQGGXIF-DNQXCXABSA-N
-rxn:4:214033:228196,Cc1ncnc(C2CC2)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,IKYLSQHGEKAURE-NHCUHLMSSA-N
-rxn:4:214036:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c1,VCLFOZDHLDKRCM-UHFFFAOYSA-N
-rxn:4:214042:224483,O=C(c1ccc(-c2ccc(OCCN3CCCCC3)cc2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,KSKPSFLRWGAPEA-UHFFFAOYSA-N
-rxn:4:214043:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3noc(C4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)n3)cc2)CC1,IWFKLUDYLHQHAF-UHFFFAOYSA-N
-rxn:4:214054:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1F,PGAMZVUUOQYGPH-UHFFFAOYSA-N
-rxn:4:214056:226985,CCCCOc1cccc(-c2ccccc2-c2ccc(C=C3SC(N4CCN(C(C)=O)CC4)=NC3=O)o2)c1,ZYQXHANLUFFHNR-UHFFFAOYSA-N
-rxn:4:214064:223177,CS(=O)(=O)NCc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cc1,RLNKWMYQHYXABP-UHFFFAOYSA-N
-rxn:4:214064:228102,CC(C)Cc1ncncc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,WJBQEWXZYGSWEM-UHFFFAOYSA-N
-rxn:4:214072:226844,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JJUIDERSCUGHJL-UHFFFAOYSA-N
-rxn:4:214080:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)cc2)CC1,XYRIDGPAJSRGBC-UHFFFAOYSA-N
-rxn:4:214144:224766,CC(C)(C)OC(=O)N1CCc2c(ncc(C#N)c2-c2cc(N3CCCC3)cc(C(F)(F)F)c2)C1,QAUYBJRJYDQNEN-UHFFFAOYSA-N
-rxn:4:214194:225358,COC(=O)c1cc(-c2ccc3c(c2)c(OC(C)C(=O)N2CCOCC2)nn3C)cc(C(F)(F)F)c1,ZBZFXYRPROSFGR-UHFFFAOYSA-N
-rxn:4:214308:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4C)cc2)CC1,DJDLYTRGOPWOMX-UHFFFAOYSA-N
-rxn:4:214331:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCOCC5)cc3)n4C)c2)cc1,BGKLCEDZXWKTAY-UHFFFAOYSA-N
-rxn:4:214338:225195,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5ccc(F)c(OC6CCCCO6)c5)cccc43)C2=O)cc1,FDCGWXAGXDHUNI-UHFFFAOYSA-N
-rxn:4:214338:225912,CCCOc1c(F)cc(F)c(-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)c1F,VRRQVMGXICNEGD-UHFFFAOYSA-N
-rxn:4:214339:222791,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(NC(=O)OC(C)(C)C)ccc5Cl)ccc43)C2=O)cc1,ODJDKNLQFOAVMZ-UHFFFAOYSA-N
-rxn:4:214360:222935,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5ccc(CNS(=O)(=O)N(C)C)cc5)ccc4n3C)cc2)C1,MTSFGPSWEMJCLM-UHFFFAOYSA-N
-rxn:4:214638:223917,CN(C(=O)c1cc(F)cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])c2)c1)C1CCCCC1,JBYIBOZMNKGPTB-UHFFFAOYSA-N
-rxn:4:214661:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCCC(C(F)(F)F)C4)cnn3C)cc2F)CC1,GCBGKQBDJVFRQQ-UHFFFAOYSA-N
-rxn:4:214667:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(c3ncon3)C2)cc1S(=O)(=O)NC1CCCCC1,PLSCSCGRYLUEBQ-UHFFFAOYSA-N
-rxn:4:214703:222684,CN1CCN(Cc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc([N+](=O)[O-])c2)CC1,CVNSDMANBMRAGO-UHFFFAOYSA-N
-rxn:4:214706:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cc2)CC1,UXGKUJFLAKFHIF-UHFFFAOYSA-N
-rxn:4:214742:223753,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)cc1OCCCN1CCN(C)CC1,HPCUVXSHTLEQGR-UHFFFAOYSA-N
-rxn:4:214746:224197,CCN1CCN(Cc2ccc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)cc2F)CC1,ZFSFEYHOFKXGDT-UHFFFAOYSA-N
-rxn:4:214750:224397,CN(C)C(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)CC1,UNFHWPBOZHYIHM-UHFFFAOYSA-N
-rxn:4:214772:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1,MVNVQRAJRKWRHM-UHFFFAOYSA-N
-rxn:4:214773:224746,CC(=O)N1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCN(C(C)C)CC4)c3)cn2)CC1,GLUJMMHIAFKMTP-UHFFFAOYSA-N
-rxn:4:214787:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)c(F)cc2C)CC1,RDFJBABOIZTMPV-UHFFFAOYSA-N
-rxn:4:214819:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,AOIKQKUAFPGACT-RZWCHVLBSA-N
-rxn:4:214821:223019,N#CCCNC(=O)c1cccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,HLIDSLZKUIPAQF-UHFFFAOYSA-N
-rxn:4:214837:223973,CC1CCCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c(C(F)(F)F)c2)C1,UCCUVEPSTZTPCH-UHFFFAOYSA-N
-rxn:4:214839:227297,CN(C)Cc1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,AKNPHMAHRNZXLX-UHFFFAOYSA-N
-rxn:4:214852:222439,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)N1CCC(N2CCCC2)CC1,LXYKJQKDXWVPGY-UHFFFAOYSA-N
-rxn:4:214855:225575,COC(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1C1CC1,YMJUCLMFEHHAQX-UHFFFAOYSA-N
-rxn:4:214859:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)CC1,XGICALFOOWFZKM-UHFFFAOYSA-N
-rxn:4:214862:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cncc(C(=O)N5CCCN(C6CCSC6)CC5)c4)c3)cccc12,FNIFXWBXMWBSDK-UHFFFAOYSA-N
-rxn:4:214871:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,OTRRMCDQPVJEDZ-UHFFFAOYSA-N
-rxn:4:214871:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,GDHMLUUZDHNXHL-UHFFFAOYSA-N
-rxn:4:214871:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,ZPQNGNLOSIRYIH-UHFFFAOYSA-N
-rxn:4:214871:227213,CCCCSc1cncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,YBGAQMZBTTVINP-UHFFFAOYSA-N
-rxn:4:214874:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,IRSDSBNXYYTHAZ-UHFFFAOYSA-N
-rxn:4:214880:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FVFDEUDACIOWMU-UHFFFAOYSA-N
-rxn:4:214880:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)ccc1Cl,LDEPIQHCTJOEAR-UHFFFAOYSA-N
-rxn:4:214895:222583,Cc1c(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C,XCGMRWJJJRKYHP-UHFFFAOYSA-N
-rxn:4:214898:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3C(=O)CC(N4CCN(c5cccc(Cl)c5)CC4)C3=O)cc2)CC1,XFKKTFCATCHQKY-UHFFFAOYSA-N
-rxn:4:215058:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)c1,NDGHPHDDWCKUAA-UHFFFAOYSA-N
-rxn:4:215059:224734,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)c2C1,QHMNUGLXHBSBOU-UHFFFAOYSA-N
-rxn:4:215106:222439,Cc1nn2c(c1-c1ccc(S(=O)(=O)NC3CCCCC3)cc1C(F)(F)F)CN(C(=O)OC(C)(C)C)CC2,JNFZQYRLYNTGME-UHFFFAOYSA-N
-rxn:4:215197:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,VFMXGFNPLMCMGB-UHFFFAOYSA-N
-rxn:4:215232:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2c1,LGDUXPKIAXASCS-UHFFFAOYSA-N
-rxn:4:215300:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,GPFIAZBAKXKCDE-UHFFFAOYSA-N
-rxn:4:215391:223696,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],ZVWCJQGIYWRODB-UHFFFAOYSA-N
-rxn:4:215725:223812,COc1nc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nn1C1CCCCO1,PKBIAGJWIHLDKC-UHFFFAOYSA-N
-rxn:4:215789:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc([N+](=O)[O-])c2N2CCCCC2)CC1,KQEDGBGNTHSPQH-UHFFFAOYSA-N
-rxn:4:215804:224725,CCN(CC)S(=O)(=O)c1cc(-c2cncc([N+](=O)[O-])c2N2CCC(F)(F)CC2)ccc1C,APAXTNATMPTXFY-UHFFFAOYSA-N
-rxn:4:215831:222829,CNS(=O)(=O)c1ccc(-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)c(C(F)(F)F)c1,UNVAYRYFKWMBRW-UHFFFAOYSA-N
-rxn:4:215877:223834,CCN1CCN(c2cncc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)CC1,QXJRLTWDULCLDY-UHFFFAOYSA-N
-rxn:4:215880:223834,CCN1CCN(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cn2)CC1,ZQDJPEGDJSGDLM-UHFFFAOYSA-N
-rxn:4:215883:223834,CCN1CCN(c2ncccc2-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)CC1,MMKXSVBPHKDSRU-UHFFFAOYSA-N
-rxn:4:215899:222585,CS(=O)(=O)N1CCCC(c2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,FXORZBWZPCKFCY-UHFFFAOYSA-N
-rxn:4:215907:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,CXRDFHRZAUEQDB-UHFFFAOYSA-N
-rxn:4:215940:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)c2)CC1,KZLJGQXSQCUNNZ-UHFFFAOYSA-N
-rxn:4:215941:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccncc3N3CCC(N(C)C)CC3)c2)CC1,QYXXKHJOWLKRNQ-UHFFFAOYSA-N
-rxn:4:215942:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ncccc3N3CCC(N(C)C)CC3)c2)CC1,PVQQOJRZKWVUCN-UHFFFAOYSA-N
-rxn:4:215944:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCC(N(C)C)CC4)n3)c2)CC1,SXPCKNZOEGALCH-UHFFFAOYSA-N
-rxn:4:215950:223980,CCN1CCN(c2ncc(C)cc2-c2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)CC1,ZAFUNKSNHGEXJB-UHFFFAOYSA-N
-rxn:4:215955:223785,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,UHOGHRCKUMWZCJ-UHFFFAOYSA-N
-rxn:4:215955:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(N(C)C)CC3)c2)CC1,YDLRFKITVNCVIE-UHFFFAOYSA-N
-rxn:4:215956:223993,Cc1cc(-c2cncc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,FEIBZCSFPWTLHA-UHFFFAOYSA-N
-rxn:4:215965:223712,COc1ccc(-c2cc(N3CCC(C)CC3)nc(C3CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,VDKSZRBEZFFCIR-UHFFFAOYSA-N
-rxn:4:215975:223696,Cc1ccc(C2CN(c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CCO2)cc1,XBZCHWXKUQXFAW-UHFFFAOYSA-N
-rxn:4:216354:225219,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(N4CCCCC4C)cc3F)cc1C1CC(c3ccccc3)=NN12,ZZIHSOCWINBLQX-UHFFFAOYSA-N
-rxn:4:216356:222536,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)Nc5ccc(C)cc5C)c4)ccc2OC32CCN(C)CC2)cc1,JZGWUCHVYHNJCP-UHFFFAOYSA-N
-rxn:4:216356:222556,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)Nc5ccccc5OC)c4)ccc2OC32CCN(C)CC2)cc1,GPOTVHLASZCCRX-UHFFFAOYSA-N
-rxn:4:216356:222559,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)Nc5ccccc5OC)cc4)ccc2OC32CCN(C)CC2)cc1,QZCNXIAFNUWYQW-UHFFFAOYSA-N
-rxn:4:216356:224429,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc5cc(OCC(C)C)ccc5c4)ccc2OC32CCN(C)CC2)cc1,QPAQQIRURINZJV-UHFFFAOYSA-N
-rxn:4:216356:224941,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CCN5CCOCC5)cc4)ccc2OC32CCN(C)CC2)cc1,WXQJVJHPFAJRHR-UHFFFAOYSA-N
-rxn:4:216356:225072,CCOC(=O)c1cc2c(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)cccc2s1,DEEBQFLJSNKLDN-UHFFFAOYSA-N
-rxn:4:216356:225168,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCOCC5)c(F)c4)ccc2OC32CCN(C)CC2)cc1,OGISAJGQVCUITH-UHFFFAOYSA-N
-rxn:4:216356:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,OSXSGKBOVNSLCB-UHFFFAOYSA-N
-rxn:4:216356:225297,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)N5CCCC5)c4)ccc2OC32CCN(C)CC2)cc1,MSENBSNPCLWYLP-UHFFFAOYSA-N
-rxn:4:216356:225618,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OC5CCCCO5)c4)ccc2OC32CCN(C)CC2)cc1,JCOGMHWGKYYBRE-UHFFFAOYSA-N
-rxn:4:216356:226104,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(COC(C)(C)C)c4)ccc2OC32CCN(C)CC2)cc1,UJCFLJJAYDKGTO-UHFFFAOYSA-N
-rxn:4:216356:226142,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OC5CCCC5)c4)ccc2OC32CCN(C)CC2)cc1,BIPVAYSIKXVFSV-UHFFFAOYSA-N
-rxn:4:216356:226159,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCCCC5)c4)ccc2OC32CCN(C)CC2)cc1,JOWRYJJAXKVWGD-UHFFFAOYSA-N
-rxn:4:216356:226350,COC(=O)c1c(C)ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)c1C,AERRPRUOTRDDMV-UHFFFAOYSA-N
-rxn:4:216356:226926,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)(C)C)cc4C)ccc2OC32CCN(C)CC2)cc1,QAASHVWNBUFXFK-UHFFFAOYSA-N
-rxn:4:216356:226985,CCCCOc1cccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)c1,QZUGHJYREOBMOM-UHFFFAOYSA-N
-rxn:4:216356:226997,CCCOc1cc(C)cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)c1,QZVGRYDCKWAYEV-UHFFFAOYSA-N
-rxn:4:216356:227055,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(C5CC5)c4)ccc2OC32CCN(C)CC2)cc1,QNVHBPQAAXHKHA-UHFFFAOYSA-N
-rxn:4:216356:227063,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C)cc4OC(C)C)ccc2OC32CCN(C)CC2)cc1,FEJDUDOZTWMHTP-UHFFFAOYSA-N
-rxn:4:216356:227081,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCC5)cc4)ccc2OC32CCN(C)CC2)cc1,UNYSOGVSDNOVMM-UHFFFAOYSA-N
-rxn:4:216356:227657,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCOCC5)s4)ccc2OC32CCN(C)CC2)cc1,DQLVVQMEYGEXGM-UHFFFAOYSA-N
-rxn:4:217133:222465,O=S1(=O)CCN(c2cnc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,MCLMQMBNLOSZTH-UHFFFAOYSA-N
-rxn:4:217195:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCN(C)CC4)nc3F)c2)CC1,KYTNLMFLKBCGIO-UHFFFAOYSA-N
-rxn:4:217211:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCCN(C)CC4)nc3)c2)CC1,FGMKNESSWVIKGI-UHFFFAOYSA-N
-rxn:4:217212:223838,Cc1ccnc(N2CCN(C)CC2)c1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,DIVPULNRTFJZPD-UHFFFAOYSA-N
-rxn:4:217213:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCN(C)CC4)cc3C)c2)CC1,FXMVYLMIFSMIPE-UHFFFAOYSA-N
-rxn:4:217213:223838,Cc1cc(N2CCN(C)CC2)ncc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,BVRZBCSARBGNEI-UHFFFAOYSA-N
-rxn:4:217214:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCN(C)CC4)nc3C)c2)CC1,CBLQEJYDZGVNDF-UHFFFAOYSA-N
-rxn:4:217214:223838,Cc1nc(N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,HSWUDGKCCJPPEU-UHFFFAOYSA-N
-rxn:4:217910:223474,Cc1cc(C)c(-n2c[n+]3c(n2)COC2Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4C23)c(C)c1,SVJSOMXPAFHPRY-UHFFFAOYSA-N
-rxn:4:218587:222583,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)CC2)cc1,ROSJZCWJTKUCGQ-UHFFFAOYSA-N
-rxn:4:218587:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc1,OTUOYLKBEAXLRA-UHFFFAOYSA-N
-rxn:4:218600:224810,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,HHFVHHVIDIXVHA-UHFFFAOYSA-N
-rxn:4:218642:225619,O=C(c1cncc(-c2ccc(Cl)cc2OC2CCCC2)c1)N1CCC(COc2cc(C3CC3)ncn2)CC1,ZFVNRIOCYZFOOY-UHFFFAOYSA-N
-rxn:4:218652:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,IYCCIXUCNXLQRA-UHFFFAOYSA-N
-rxn:4:218666:224759,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)C2)nn1,LZOZPRXUUDTXDP-UHFFFAOYSA-N
-rxn:4:218684:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)cc1,MSZRBJDHEDBUGB-UHFFFAOYSA-N
-rxn:4:218700:224746,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,RHRDRINOVSHEQG-UHFFFAOYSA-N
-rxn:4:218710:222426,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MQWQERLULZSKPQ-UHFFFAOYSA-N
-rxn:4:218710:222527,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(OCc6ccccc6)cccc5[nH]4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWEXTRLVQYIHMS-UHFFFAOYSA-N
-rxn:4:218710:222552,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NCc5ccccc5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OCSCWLRESBNVQP-UHFFFAOYSA-N
-rxn:4:218710:222728,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CNc4cccc(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BBEWJDDDNJRPCA-UHFFFAOYSA-N
-rxn:4:218710:222739,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(NCc5cccc(F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NYMJLMUDSZDPFF-UHFFFAOYSA-N
-rxn:4:218710:222809,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AOKGYDHHUQXPII-UHFFFAOYSA-N
-rxn:4:218710:222831,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CNc5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JIJYWWLEGWADIP-UHFFFAOYSA-N
-rxn:4:218710:222948,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WBLBOHCFZMSMIR-UHFFFAOYSA-N
-rxn:4:218710:222967,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VGEQZYMLKIGSGH-UHFFFAOYSA-N
-rxn:4:218710:222973,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GYBMUXXHABVUSU-UHFFFAOYSA-N
-rxn:4:218710:223097,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)NC)cc([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DNIBYLCEUFEWDF-UHFFFAOYSA-N
-rxn:4:218710:223103,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZCTQBAUPCNDGKD-UHFFFAOYSA-N
-rxn:4:218710:223106,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BSZOWWXTXPUSFG-UHFFFAOYSA-N
-rxn:4:218710:223139,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KJIHMTRPONNOHF-UHFFFAOYSA-N
-rxn:4:218710:223179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKFMJWSUNGBHHT-UHFFFAOYSA-N
-rxn:4:218710:223217,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(=O)[nH]ccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AWQZDHQCHPSUIW-UHFFFAOYSA-N
-rxn:4:218710:223223,CCNC(=O)c1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,VXPZRORRGUQIIM-UHFFFAOYSA-N
-rxn:4:218710:223509,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JPNYHSXKCUXKRJ-UHFFFAOYSA-N
-rxn:4:218710:223525,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AIZGYODLDPZDIN-UHFFFAOYSA-N
-rxn:4:218710:223553,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HKWXAEAQFNSERB-UHFFFAOYSA-N
-rxn:4:218710:223630,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COc4ccc(Cl)c5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZTRZZKLTHSENGU-UHFFFAOYSA-N
-rxn:4:218710:223731,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(COc5cc(C)ccc5C(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LRHPYUQTBDBMLT-UHFFFAOYSA-N
-rxn:4:218710:223797,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4COc4cccc(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BDSCFXICZUGYEI-UHFFFAOYSA-N
-rxn:4:218710:223819,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cnccc5n4S(=O)(=O)c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DQDMXBPVSLHGJG-UHFFFAOYSA-N
-rxn:4:218710:223821,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5c4ccn5S(=O)(=O)c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OBUROHCAAREBKB-UHFFFAOYSA-N
-rxn:4:218710:223825,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(OCc5ccccc5)c(C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASUHBNKNHMTOJI-UHFFFAOYSA-N
-rxn:4:218710:223965,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5cccc(C(F)(F)F)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OCUYDAGESQFKMC-UHFFFAOYSA-N
-rxn:4:218710:224000,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5cccc(C(F)(F)F)c5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DEUCIXSANCOUEA-UHFFFAOYSA-N
-rxn:4:218710:224002,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-c5ccccc5C(F)(F)F)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FVIVXADXSCYHHM-UHFFFAOYSA-N
-rxn:4:218710:224016,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JGFPEYCYOUATHK-UHFFFAOYSA-N
-rxn:4:218710:224093,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)c(OCc5ccccc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KYBQDAHGALOKDU-UHFFFAOYSA-N
-rxn:4:218710:224098,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccccc5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WDBKGYYCGXTWOF-UHFFFAOYSA-N
-rxn:4:218710:224116,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)cc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KUGOAQPMHKIUMA-UHFFFAOYSA-N
-rxn:4:218710:224153,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HZYSJZCAVRYWRV-UHFFFAOYSA-N
-rxn:4:218710:224156,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZTJMKWOVHQUXSO-UHFFFAOYSA-N
-rxn:4:218710:224391,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HEERLZUYHNLDEM-UHFFFAOYSA-N
-rxn:4:218710:224419,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YXWOPFPVWUTTIT-UHFFFAOYSA-N
-rxn:4:218710:224547,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCc5ccc(F)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVZYFPGGRZIVRO-UHFFFAOYSA-N
-rxn:4:218710:224576,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(-c5ccc(C(C)(C)C)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KABBRPHYOBWNPW-UHFFFAOYSA-N
-rxn:4:218710:224581,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5ccc(C)n5)ccc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PYHPLIZKVONIFR-UHFFFAOYSA-N
-rxn:4:218710:224613,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N(C)C(=O)OC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AQUBDWNATHLNQP-UHFFFAOYSA-N
-rxn:4:218710:224620,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JPFTUMMWLFUXAN-UHFFFAOYSA-N
-rxn:4:218710:224632,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccc(OC)cc5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VBRSHRRUIDXDGJ-UHFFFAOYSA-N
-rxn:4:218710:224680,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(=O)N5CCCCC5)ccc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IZISCGOUTBTMRP-UHFFFAOYSA-N
-rxn:4:218710:224684,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PLVGHNQRUWCYGJ-UHFFFAOYSA-N
-rxn:4:218710:224795,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(S(=O)(=O)N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ITJGRQZXUBUDNW-UHFFFAOYSA-N
-rxn:4:218710:224811,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HKXHXXFSBADGIK-UHFFFAOYSA-N
-rxn:4:218710:224821,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(S(=O)(=O)N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FQIBDLOJMHHIBW-UHFFFAOYSA-N
-rxn:4:218710:224830,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)nn4C4CCCCO4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DHRMQWNPAXAQIM-UHFFFAOYSA-N
-rxn:4:218710:224854,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)cc(-c5ccccc5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HMGSDIIFYBGPBD-UHFFFAOYSA-N
-rxn:4:218710:224897,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5cccc(OC)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PVTFLQQCJCZPDI-UHFFFAOYSA-N
-rxn:4:218710:224969,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC(C)(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OPOPIISDOACNII-UHFFFAOYSA-N
-rxn:4:218710:224981,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(-n5ccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QWLKXLUYPCUNFJ-UHFFFAOYSA-N
-rxn:4:218710:224982,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)c(-n5ccnc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FDQBKTJPZOSTLK-UHFFFAOYSA-N
-rxn:4:218710:225082,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5nc(C)n(C(C)C)c5cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PTEVTYGPKBPZCK-UHFFFAOYSA-N
-rxn:4:218710:225139,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FJXNQRJHTKJADT-UHFFFAOYSA-N
-rxn:4:218710:225300,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5CCOCC5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VDFUUNFHCHBOOB-UHFFFAOYSA-N
-rxn:4:218710:225390,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(CC(C)C)cc(C5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AYASRGHBOPPAFY-UHFFFAOYSA-N
-rxn:4:218710:225439,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(C)N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OMCPHHMHSFCFDT-UHFFFAOYSA-N
-rxn:4:218710:225461,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCCCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CIAQPBPOXHCRIP-UHFFFAOYSA-N
-rxn:4:218710:225526,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)N(CC)CC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QFOAWRWVKCNFSP-UHFFFAOYSA-N
-rxn:4:218710:225731,CCOC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c(OC)c1,QAUMXANZAGBAIU-UHFFFAOYSA-N
-rxn:4:218710:225822,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(F)(F)F)c4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OLNOLZOCVKWYLU-UHFFFAOYSA-N
-rxn:4:218710:225938,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)ncc4C4CC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WCTZBDHHZCVPSN-UHFFFAOYSA-N
-rxn:4:218710:226115,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)CC(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DUSJMBGLNCCCDN-UHFFFAOYSA-N
-rxn:4:218710:226143,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(OC(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OILIUPCIQCOQHN-UHFFFAOYSA-N
-rxn:4:218710:226159,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(N5CCCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BOIDBRMJTMUPDH-UHFFFAOYSA-N
-rxn:4:218710:226177,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LFOPWXAUBAOGIK-UHFFFAOYSA-N
-rxn:4:218710:226308,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1C(=O)OC,GFBUSMGSMIKSDJ-UHFFFAOYSA-N
-rxn:4:218710:226312,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C(=O)OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KNMZHAOPWQJXOM-UHFFFAOYSA-N
-rxn:4:218710:226342,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(C(=O)OC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FXMRQTHNRQUXML-UHFFFAOYSA-N
-rxn:4:218710:226368,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C)c4-c4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WRCNOGSYRNWMNC-UHFFFAOYSA-N
-rxn:4:218710:226450,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C5(C)OCCO5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NJMKXEHAQMFLQZ-UHFFFAOYSA-N
-rxn:4:218710:226592,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(F)cc4OC(C)C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SDKUBCLJRUXLED-UHFFFAOYSA-N
-rxn:4:218710:226795,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cccc5)nc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZTEQUTLNIQJFEK-UHFFFAOYSA-N
-rxn:4:218710:226824,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5nccs5)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ISHXPKTZNMSUBQ-UHFFFAOYSA-N
-rxn:4:218710:226959,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CC(C)(C)O5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZSOAHZWNDBEKEQ-UHFFFAOYSA-N
-rxn:4:218710:226996,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SCC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZHLNDJBOWMJBJI-UHFFFAOYSA-N
-rxn:4:218710:227117,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(C)c4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HMKLCMKGOWCTGF-UHFFFAOYSA-N
-rxn:4:218710:227125,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4C4CCOC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KZNAFBMBCBIUOX-UHFFFAOYSA-N
-rxn:4:218710:227150,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c5c(cnn5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RBELQOOMIWTYBY-UHFFFAOYSA-N
-rxn:4:218710:227178,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5cnc(Cl)cc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NMMZRVGJIHQSEP-UHFFFAOYSA-N
-rxn:4:218710:227179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5cnc(Cl)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QYWYGMPTEQNJHP-UHFFFAOYSA-N
-rxn:4:218710:227225,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(SCC(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DSGHOUCXJRKSNL-UHFFFAOYSA-N
-rxn:4:218710:227262,CCCOc1cccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1Cl,IKBNEGBKZUGLGQ-UHFFFAOYSA-N
-rxn:4:218710:227286,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JEHFRGQSBDTMQD-UHFFFAOYSA-N
-rxn:4:218710:227364,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(C)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DFLNIVXUEIPMMW-UHFFFAOYSA-N
-rxn:4:218710:227446,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5OCCO5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DRNIPJAUEDYOLE-UHFFFAOYSA-N
-rxn:4:218710:227456,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nc(SC)sc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHWOVVUVOWZUEA-UHFFFAOYSA-N
-rxn:4:218710:227478,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C(OC)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NCUJTARZSDPTPM-UHFFFAOYSA-N
-rxn:4:218710:227562,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)ccc(OC)c4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MLYGGFGKFLKMOT-UHFFFAOYSA-N
-rxn:4:218710:227617,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(-n5cnc(C)c5)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FMVHWDNAKGHACO-UHFFFAOYSA-N
-rxn:4:218710:227629,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccsc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUKCPEZRZNDKNO-UHFFFAOYSA-N
-rxn:4:218710:227841,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(C)c(C)cc(C)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SUPVFKVLDLWGEI-UHFFFAOYSA-N
-rxn:4:218710:227892,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DNPUYSHYILEKMU-UHFFFAOYSA-N
-rxn:4:218710:227893,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(CN(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JCRANZIVDLSGLI-UHFFFAOYSA-N
-rxn:4:218710:227912,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)OC)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HHHOXRAQWHFLKJ-UHFFFAOYSA-N
-rxn:4:218710:227935,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccc1OC,KIGKXZFIZWFFCS-UHFFFAOYSA-N
-rxn:4:218710:227946,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)(C)C)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZWBXPUFSLZRODI-UHFFFAOYSA-N
-rxn:4:218710:228030,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(cnn5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UGOFFZNCRJZFNP-UHFFFAOYSA-N
-rxn:4:218710:228031,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5nn(C)cc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SHZLPABUFOTZCF-UHFFFAOYSA-N
-rxn:4:218710:228048,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(ccn5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQFLWJUSZCPQJW-UHFFFAOYSA-N
-rxn:4:218710:228059,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5sc(C)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DCHNQHMQWHZHLU-UHFFFAOYSA-N
-rxn:4:218710:228129,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C#N)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XYYJSJABNMMXRG-UHFFFAOYSA-N
-rxn:4:218710:228191,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N(C)C)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VZRQWCTYLANUMU-UHFFFAOYSA-N
-rxn:4:218710:228322,CCOc1ncc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1F,PJOUMUUHDLVRON-UHFFFAOYSA-N
-rxn:4:218710:228396,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cc(OC)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AAOWKWIAPGMJGS-UHFFFAOYSA-N
-rxn:4:218710:228505,CCCc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,CHXAAEFNIUDXJU-UHFFFAOYSA-N
-rxn:4:218710:228599,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NKZSCXKSMTXHLB-UHFFFAOYSA-N
-rxn:4:218710:228612,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OC)c4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WFRWAPVJBHXNSF-UHFFFAOYSA-N
-rxn:4:218710:228711,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOSJUKWXYVNLIA-UHFFFAOYSA-N
-rxn:4:218710:228745,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(SC)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBQKCANQOKCLEK-UHFFFAOYSA-N
-rxn:4:218710:228818,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)c(=O)n(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LWBBYONMBBOSSM-UHFFFAOYSA-N
-rxn:4:218710:228922,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC)ccnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CEAQOEZTYOLJNS-UHFFFAOYSA-N
-rxn:4:218710:228925,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(SC)cnc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YPSPUYLDZMNOBI-UHFFFAOYSA-N
-rxn:4:218710:229017,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YQJCIIMBVYTOPK-UHFFFAOYSA-N
-rxn:4:218710:229096,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cnc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BHAFMBTZPRSHES-UHFFFAOYSA-N
-rxn:4:218710:229132,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OYTWXBOWRKOSKB-UHFFFAOYSA-N
-rxn:4:218710:229271,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)ns4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FOYGERDDTYFXHL-UHFFFAOYSA-N
-rxn:4:218710:229279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncnc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MGFMIYVLDALLQC-UHFFFAOYSA-N
-rxn:4:218710:229295,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UQGRXZRCVMWOTR-UHFFFAOYSA-N
-rxn:4:218711:224858,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccc4c3C(=O)c3ccccc3-4)CC2)CC1,NJEGMZODDLFABA-UHFFFAOYSA-N
-rxn:4:218711:225856,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cc(Cl)cc(-c4cnccn4)c3)CC2)CC1,QLHDCHAMWCAYRY-UHFFFAOYSA-N
-rxn:4:218714:223482,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c3C)CC2)c(C)c1,WGCLRLWDIQOZET-UHFFFAOYSA-N
-rxn:4:218721:224704,CCCCCCCn1c(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,CQJMJWLLGVBDIP-UHFFFAOYSA-N
-rxn:4:218768:222891,COc1cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)cc(C2CCNCC2)n1,SUZNSTCKNFDSTK-UHFFFAOYSA-N
-rxn:4:218824:222582,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,CVQNSAJPWAJLKB-UHFFFAOYSA-N
-rxn:4:218824:224615,CN(CC1CN(c2ncc(-c3cccc(OCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,UZZXBAWWEBQBNU-UHFFFAOYSA-N
-rxn:4:218825:222589,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)CC1,PSPNFSMRJJXJMV-UHFFFAOYSA-N
-rxn:4:218867:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCCC3)c2)no1,HGFHOBWTMPEHBL-UHFFFAOYSA-N
-rxn:4:218868:223056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2)no1,HFDJLXLNUAPVJU-UHFFFAOYSA-N
-rxn:4:218868:224426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)no1,HIPTWBCSPAPVKA-UHFFFAOYSA-N
-rxn:4:218868:225641,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCC(C)C4)c3)cc2)no1,VKDRFAKUARCOJC-UHFFFAOYSA-N
-rxn:4:218868:225852,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)nc3Cl)cc2)no1,YIXLFOQHLDJKAC-UHFFFAOYSA-N
-rxn:4:218868:225867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCCC4)c3)cc2)no1,IGCILEOYTAOBEG-UHFFFAOYSA-N
-rxn:4:218879:222694,O=C(c1ccccn1)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,VZDJYOGUNYDEHL-UHFFFAOYSA-N
-rxn:4:218885:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,PPFMQNMTTKKWJC-UHFFFAOYSA-N
-rxn:4:218886:224321,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cn2)C1,ICYQZRWFONQVRM-UHFFFAOYSA-N
-rxn:4:218887:224251,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cn2)CC1,UFRPPFGOPXPYTK-UHFFFAOYSA-N
-rxn:4:218888:223482,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,KGXAHIYXVUSXCA-UHFFFAOYSA-N
-rxn:4:218892:222634,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)nn1,PVMNUIOSBPBQIH-UHFFFAOYSA-N
-rxn:4:218963:224294,Cn1ncc(-c2cccc(Oc3ccccc3[N+](=O)[O-])c2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QVFNBMHJOZXHIX-UHFFFAOYSA-N
-rxn:4:218967:222800,COc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2-c2cc(C)c(S(=O)(=O)NC(C)C)c(C)c2)CC1,UOKMCLLJYMGQQE-UHFFFAOYSA-N
-rxn:4:218970:223755,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cn2)C1,GDDZHXSJEOANIB-UHFFFAOYSA-N
-rxn:4:218971:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(F)c2)CC1,ZPQVUJXORTXPJW-YOCNBXQISA-N
-rxn:4:218998:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(OCC5CCCN(C(=O)N6CCOCC6)C5)nc4)c3C(=O)C1C2(C)C,JQPZYSPJTONYCB-UHFFFAOYSA-N
-rxn:4:218998:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2)CC1,BGGRBIFAWKROIZ-UHFFFAOYSA-N
-rxn:4:219015:222732,COc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,GWFQRHSAWIGCOX-UHFFFAOYSA-N
-rxn:4:219028:222934,CCNC(=O)c1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cc([N+](=O)[O-])c1,JBTRSOUDNFHMBV-UHFFFAOYSA-N
-rxn:4:219049:222684,COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)o4)CC3)ncn2)cc1,XJHYGQWKLGPGLH-UHFFFAOYSA-N
-rxn:4:219062:225233,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCCC(C)C3)c2)C1,KACUNSKTVPNKPC-UHFFFAOYSA-N
-rxn:4:219093:223539,CCC(=O)C1=C(c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)N(C(=O)CC)n2cnnc2S1,BTYXGMRWNBWYFA-UHFFFAOYSA-N
-rxn:4:219093:223753,CCC(=O)C1=C(c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,ISOVDERTYVJTEH-UHFFFAOYSA-N
-rxn:4:219120:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2F)CC1,IMXFHDCJAGFABY-UHFFFAOYSA-N
-rxn:4:219130:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,ZYABEUBFYHBCBP-UHFFFAOYSA-N
-rxn:4:219130:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(Cl)c2)CC1,BHPBNLOOYHQDOW-UHFFFAOYSA-N
-rxn:4:219145:223992,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)C3)c2cc1OC,CUCWIVGLTGVZFL-UHFFFAOYSA-N
-rxn:4:219175:226844,CN(C(=O)c1cc2nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,HNPGJHVLEKSKLC-UHFFFAOYSA-N
-rxn:4:219184:226844,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,JZDGHZWQORQGGO-UHFFFAOYSA-N
-rxn:4:219281:226112,Cc1cc(OCC2CC2)ccc1-c1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1C,RQJXRUJRNPHSHS-UHFFFAOYSA-N
-rxn:4:219353:223054,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCC(O)C1,KXKNXAOBPWXIKH-UHFFFAOYSA-N
-rxn:4:219363:222604,COc1ccc(-c2cnccc2OC2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1S(=O)(=O)NC1CCCC1,WKQKLWIODWXVEX-UHFFFAOYSA-N
-rxn:4:219377:224253,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)o2)CC1,USQBPDZYTWWTEB-UHFFFAOYSA-N
-rxn:4:219384:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cnc2C1,NOMJWWLLHKKASL-UHFFFAOYSA-N
-rxn:4:219414:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,ZNFVBDSNWPENBW-UHFFFAOYSA-N
-rxn:4:219414:226498,CCN(CC)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1Cl,NHJVIXACJJMVQF-UHFFFAOYSA-N
-rxn:4:219469:226222,CCCCCOc1ccc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)cn1,KQJKSTWJHROKFT-UHFFFAOYSA-N
-rxn:4:219473:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c1Cl,DLAZFQDSDSPGCF-UHFFFAOYSA-N
-rxn:4:219475:222604,COc1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1S(=O)(=O)NC1CCCC1,FOYVGCJYVWSIGG-UHFFFAOYSA-N
-rxn:4:219503:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCN(c5ncnc(C)c5F)CC4)cc3)cc2)CC1,DANOBNCFITVECV-UHFFFAOYSA-N
-rxn:4:219519:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CCN4CCN(c5nccc(C)n5)CC4)cc3)c(F)cc2C)CC1,YQOSYTQFPOCULJ-UHFFFAOYSA-N
-rxn:4:219521:222684,Cn1nc(C2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)n(C2CC2)c1=O,YBNGWLIETZCMKW-UHFFFAOYSA-N
-rxn:4:219543:222583,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,IALWQCCKEXDYDY-UHFFFAOYSA-N
-rxn:4:219627:225293,CC(C)Oc1cc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)ccc1C(F)(F)F,CAXHVQMIZBYIPT-UHFFFAOYSA-N
-rxn:4:219631:222684,CN(C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)o1)C1CN(c2cc3c(nn2)CCC3)C1,LQBXZRJBMLGPGC-UHFFFAOYSA-N
-rxn:4:219641:224393,O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncccc2-c2cc(C(F)(F)F)ccc2N2CCOCC2)C1,LGGOMEBUYJYKBM-UHFFFAOYSA-N
-rxn:4:219643:222424,COc1ccc(N2C(=O)C3N=NN(Cc4cccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)c4)C3C2=O)cc1,OADNLWBSDGTJJE-UHFFFAOYSA-N
-rxn:4:219653:225977,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(Cl)cnc4N4CCOCC4)nc3s2)CC1,BHVMCJFPEHRDSY-UHFFFAOYSA-N
-rxn:4:219675:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)cc2F)CC1,OQXLKWZVFDZNQG-UHFFFAOYSA-N
-rxn:4:219678:226429,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)s2)C1,XBEHHXQMNSOMCI-UHFFFAOYSA-N
-rxn:4:219679:222684,O=C(c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1Cl)N1CCN(C(=O)c2cnn3ccccc23)CC1,IBAQYTIMPYKFKO-UHFFFAOYSA-N
-rxn:4:219690:222584,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc32)CC1,CRSFSLWFICOUMQ-UHFFFAOYSA-N
-rxn:4:219698:223502,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc2)c(=O)c3=O)cc1,SDUSQXRVZGKDMU-UHFFFAOYSA-N
-rxn:4:219698:223559,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc2)c(=O)c3=O)cc1,DSRADIBWTRRTOB-UHFFFAOYSA-N
-rxn:4:219704:224746,CC(=O)N1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cn2)CC1,QTCWUEOTNVGOOC-UHFFFAOYSA-N
-rxn:4:219706:224672,CCN1CCN(c2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c(Cl)c2)CC1,SJUDYGORORCIQC-UHFFFAOYSA-N
-rxn:4:219750:222581,COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c3ccccc23)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,IUYKFHGSZVBHKK-UHFFFAOYSA-N
-rxn:4:219750:226604,COc1ccc(-c2cc(Cl)c(F)c(OC(C)C)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,MYFGZQNBWMHNMM-UHFFFAOYSA-N
-rxn:4:219759:226844,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,HHTTWXLCWFGBBL-UHFFFAOYSA-N
-rxn:4:219766:226504,CON(C)C(=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1,NCUGJEHDIRTCLR-UHFFFAOYSA-N
-rxn:4:219767:222424,CN1CCN(n2c3c(c(SCc4ccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)cc4)nc2=O)CCC3)CC1,FAWRJVCRILUJHV-UHFFFAOYSA-N
-rxn:4:219769:225723,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc2)OC3)CC1,CZFTZJTVUDYUJH-UHFFFAOYSA-N
-rxn:4:219850:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5cnsn5)CC4)o3)c(F)cc2C)CC1,BWGDEMXJBKTFPZ-UHFFFAOYSA-N
-rxn:4:219908:223991,CN1CCCN(c2oc(-c3ccc(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)o3)nc2C#N)CC1,HNTKRIZFXHGZKC-UHFFFAOYSA-N
-rxn:4:219917:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,OFSMOUKHJOPLLL-UHFFFAOYSA-N
-rxn:4:219934:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(F)c2)CC1,GMBPCCZPCCWFNF-BWZATIJHSA-N
-rxn:4:219938:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)ccn2)CC1,IVENEKADUAPPHZ-UHFFFAOYSA-N
-rxn:4:219951:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5nccn5C)CC4)c3)cc2)CC1,LZQIPGWYQBZOJW-UHFFFAOYSA-N
-rxn:4:219955:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,MHICNDGOQHPTGE-UHFFFAOYSA-N
-rxn:4:219998:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,VXBHTQICUMBZEZ-UHFFFAOYSA-N
-rxn:4:220021:224008,CCCC(=O)N1CCn2nc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)nc2C1,IQNDKJADILDRLW-UHFFFAOYSA-N
-rxn:4:220124:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)cc2)CC1,FAYPFSNALBCTRZ-UHFFFAOYSA-N
-rxn:4:220124:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3ccnn3)C4)c2)c1,AHJZASVSTSJVQA-UHFFFAOYSA-N
-rxn:4:220136:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,LHTQAWKGRJFNSW-UHFFFAOYSA-N
-rxn:4:220136:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cnc2C1,JYEBPBOOYKYUSM-UHFFFAOYSA-N
-rxn:4:220137:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,AAXNSIUPBVOWFL-UHFFFAOYSA-N
-rxn:4:220158:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,BWBYFWLIDXFYFG-UHFFFAOYSA-N
-rxn:4:220398:223687,CN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,LRBLLCVXGLILJS-UHFFFAOYSA-N
-rxn:4:220531:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)ccc2OC)CC1,ZSTZAJAFMDJJCZ-UHFFFAOYSA-N
-rxn:4:220533:223712,COc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,LVRZULJXPGTURH-UHFFFAOYSA-N
-rxn:4:220935:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,DFZFVFPVCRFUHA-UHFFFAOYSA-N
-rxn:4:220936:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,HZQFZMJUHOCJFX-UHFFFAOYSA-N
-rxn:4:221098:222632,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)CC2)c(C(F)F)n1,BIEUOTSVHLQEGN-UHFFFAOYSA-N
-rxn:4:221098:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1C,NYYVYYWCXLKQIY-UHFFFAOYSA-N
-rxn:4:221099:224286,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)C2)c(C(F)F)n1,ROHUXSMROHZUHZ-UHFFFAOYSA-N
-rxn:4:221105:224796,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cn3)C2)nc1C,SOGHGVIIZSSFMI-UHFFFAOYSA-N
-rxn:4:221114:223978,CCOc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,UTVIBFCNOMKVEN-UHFFFAOYSA-N
-rxn:4:221121:222898,COC(=O)CNC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,IRZABWKWLXOBHT-UHFFFAOYSA-N
-rxn:4:221121:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,WDLAIFUJVVUKBA-UHFFFAOYSA-N
-rxn:4:221121:223509,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)ccc43)CC2)CC1,XMVBQZADWUTSTF-UHFFFAOYSA-N
-rxn:4:221121:223512,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(Cc6ccccc6)Cc6ccccc6)cc5)ccc43)CC2)CC1,VSBGUTOSNUFGNY-UHFFFAOYSA-N
-rxn:4:221121:223715,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6cccc7ccccc67)cc5)ccc43)CC2)CC1,VFHCZXIDDNQULB-UHFFFAOYSA-N
-rxn:4:221121:223974,CC1CCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C(F)(F)F)c2)CC1,NJEWCGCJOIHDKV-UHFFFAOYSA-N
-rxn:4:221121:223991,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c5F)ccc43)CC2)CC1,YHKAHCWMKGTDQO-UHFFFAOYSA-N
-rxn:4:221121:224190,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1O[Si](C)(C)C(C)(C)C,LEKDMCYIDNNLFL-UHFFFAOYSA-N
-rxn:4:221121:224291,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCOCC6)c(F)c5)ccc43)CC2)CC1,OODFOANLEHRORV-UHFFFAOYSA-N
-rxn:4:221121:224624,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)ccc5C(=O)OCC(C)(C)C)ccc43)CC2)CC1,NWGZREFPRRUECM-UHFFFAOYSA-N
-rxn:4:221121:224694,COc1cccc(-c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2Cl)c1,ANVYXTXFCWBFBW-UHFFFAOYSA-N
-rxn:4:221121:224834,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cn(S(=O)(=O)N(C)C)nc5C(F)(F)F)ccc43)CC2)CC1,XVFAPXZPCONZAT-UHFFFAOYSA-N
-rxn:4:221121:224977,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCCC6)c(C#N)c5)ccc43)CC2)CC1,FOXRDMZFHWDRIA-UHFFFAOYSA-N
-rxn:4:221121:224991,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CC6)nc(N6CCCC6)c5)ccc43)CC2)CC1,MQXAIXJTWCVQAI-UHFFFAOYSA-N
-rxn:4:221121:225732,CCOC(=O)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,QJEOBVSFJWPFDJ-UHFFFAOYSA-N
-rxn:4:221121:225960,Cc1nccn1-c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cn1,LXMQDAOPNRDMFF-UHFFFAOYSA-N
-rxn:4:221121:226208,COc1cc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2cn1,NIUHHNBATJHVJK-UHFFFAOYSA-N
-rxn:4:221121:226507,CC(C)COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)cn1,RLTBSCNNYIMVPF-UHFFFAOYSA-N
-rxn:4:221121:226631,Cc1cn(-c2cncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cn1,TVBZAXCFHRUISV-UHFFFAOYSA-N
-rxn:4:221121:226939,Cc1nccc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,BNEALYQOSLHEIC-UHFFFAOYSA-N
-rxn:4:221121:227344,CC(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,OVJUIZQBGGWBTM-UHFFFAOYSA-N
-rxn:4:221121:227573,CCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(F)c1F,GHTHRBIKWXQHRC-UHFFFAOYSA-N
-rxn:4:221121:228434,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(F)F)c(F)c5)ccc43)CC2)CC1,KYYQRPZZMPOKJB-UHFFFAOYSA-N
-rxn:4:221145:222583,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1,WJHPHMCGKPXWAU-UHFFFAOYSA-N
-rxn:4:221152:222584,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OZKKYCUZSYRCEW-UHFFFAOYSA-N
-rxn:4:221162:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C)c(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cn2)CC1,RSOQKQGTVFRLOR-UHFFFAOYSA-N
-rxn:4:221163:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)cc2C)CC1,PVVHXPDDPTVMAB-UHFFFAOYSA-N
-rxn:4:221173:224759,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,QMDRSXUZCALVIZ-UHFFFAOYSA-N
-rxn:4:221174:223813,Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Cn2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,AWUZHZKPUPIVSJ-UHFFFAOYSA-N
-rxn:4:221175:222857,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)cc(C5CCNCC5)c4)cn3)C2)C(=O)C1=O,ALTWXWCTCQVDQR-UHFFFAOYSA-N
-rxn:4:221179:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2Cl)CC1,SYILKQKFKNCRJO-UHFFFAOYSA-N
-rxn:4:221180:223945,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1C,KKXAUFPVVASEKZ-UHFFFAOYSA-N
-rxn:4:221181:225898,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)nn1C,IPZCWHQXNJPCGY-UHFFFAOYSA-N
-rxn:4:221193:224469,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cc(-c5ccco5)cc(C(C)(C)C)c4)cn3)C2)CC1,RNHUQQGPBHNABW-UHFFFAOYSA-N
-rxn:4:221194:226662,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCN(C)CC5)s4)cn3)CC2)cn1C,JHISYKXGVUPGHD-UHFFFAOYSA-N
-rxn:4:221205:225297,O=S(=O)(c1cccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1)N1CCCC1,SMYZIGWYSQRJFC-UHFFFAOYSA-N
-rxn:4:221207:222608,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2)n1,MJPWTZNASHJWHI-UHFFFAOYSA-N
-rxn:4:221207:222693,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3)CC2)n1,YUEFPNCTYZLJSV-UHFFFAOYSA-N
-rxn:4:221207:222703,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)cc3)CC2)n1,AGFAMKPBOMYMNI-UHFFFAOYSA-N
-rxn:4:221207:222838,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cc3)CC2)n1,KGHAZCOIYWAKCU-UHFFFAOYSA-N
-rxn:4:221207:223019,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCCC#N)c4)cc3)CC2)n1,DEUTVTGBKHIUPJ-UHFFFAOYSA-N
-rxn:4:221207:223039,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(F)c(C(=O)NC(C)C)c4)cc3)CC2)n1,NJDZKKAGKVLFHX-UHFFFAOYSA-N
-rxn:4:221207:223191,CNS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,AADPHEFYSYTTET-UHFFFAOYSA-N
-rxn:4:221207:223524,COc1ccc2c(c1)c(-c1ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc1)cn2S(=O)(=O)c1ccc(C)cc1,XOCMOPBWQGGSAF-UHFFFAOYSA-N
-rxn:4:221207:223677,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(Cl)c(OCc5ccccc5)c(C(F)(F)F)c4)cc3)CC2)n1,DYSNLHHLNUQISF-UHFFFAOYSA-N
-rxn:4:221207:223751,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(CN5C(=O)c6ccccc6C5=O)c4)cc3)CC2)n1,QZZUCDKIZQJSMW-UHFFFAOYSA-N
-rxn:4:221207:223943,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4c(Cl)c(C)cc5c4cnn5C4CCCCO4)cc3)CC2)n1,ONOQMDKXNANMDP-UHFFFAOYSA-N
-rxn:4:221207:224012,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(-c5ccccc5C(F)(F)F)nc4Cl)cc3)CC2)n1,RPYJQHLFLPZACI-UHFFFAOYSA-N
-rxn:4:221207:224279,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)cc3)CC2)n1,UIIRPORLSHNUMV-UHFFFAOYSA-N
-rxn:4:221207:224378,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cc3)CC2)n1,JULGPJHRWPOBAS-UHFFFAOYSA-N
-rxn:4:221207:224410,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3)CC2)n1,IOBNGDMRVRXSLH-UHFFFAOYSA-N
-rxn:4:221207:224571,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3)CC2)n1,OGTWOUJTEFTINC-UHFFFAOYSA-N
-rxn:4:221207:224702,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)c(OC5CCCC5)c(F)c4C)cc3)CC2)n1,YJHCWWAEDJZXKW-UHFFFAOYSA-N
-rxn:4:221207:226428,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(N5CCCCC5C)cs4)cc3)CC2)n1,JZRRLIUSIQZONE-UHFFFAOYSA-N
-rxn:4:221207:226873,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(Cl)c4OC(F)(F)F)cc3)CC2)n1,OTYPJSHQYPBLBQ-UHFFFAOYSA-N
-rxn:4:221207:227115,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C)c(C5CC5)cc4F)cc3)CC2)n1,VWBOYNOURVRDFB-UHFFFAOYSA-N
-rxn:4:221207:227321,COc1c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cncc1C1CC1,WAXUPBYFMUGJGU-UHFFFAOYSA-N
-rxn:4:221209:222453,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)Nc5ccccc5C(F)(F)F)cc4)cc3)CC2)n1,MZPSBKZIBKJIQX-UHFFFAOYSA-N
-rxn:4:221209:222566,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(C(=O)NCc5ccccc5F)c4)cc3)CC2)n1,KMZMLLRUJMBILG-UHFFFAOYSA-N
-rxn:4:221209:222622,CCC(C)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C2CCCNC2)n1,YELAMASLPKQYNF-UHFFFAOYSA-N
-rxn:4:221209:222730,CCCc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C2CCNCC2)n1,MVWVRBMSPQVNED-UHFFFAOYSA-N
-rxn:4:221209:222782,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)cc3)CC2)n1,CCRBEXZHSLSBTR-UHFFFAOYSA-N
-rxn:4:221209:223085,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(Cl)c(N5CCC(O)C5)c4)cc3)CC2)n1,YBNHBWNBVCUAKY-UHFFFAOYSA-N
-rxn:4:221209:223133,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccccc4N4CCNCC4)cc3)CC2)n1,HOVUTSBRWSRWHQ-UHFFFAOYSA-N
-rxn:4:221209:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,OUKMYNBIBBGRLP-UHFFFAOYSA-N
-rxn:4:221209:223593,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,ZMDFMZYGBNWWPS-UHFFFAOYSA-N
-rxn:4:221209:223652,COc1ccc(Cl)c2cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)n(C(=O)OC(C)(C)C)c12,MZNZREDPPBVCJU-UHFFFAOYSA-N
-rxn:4:221209:223732,Cc1ccc(C(C)C)c(OCc2ccccc2-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,FZUGNDMKPMRRGW-UHFFFAOYSA-N
-rxn:4:221209:223873,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccccc4CCC(=O)N4CCC(C)CC4)cc3)CC2)n1,CGVXASNJXXFPBQ-UHFFFAOYSA-N
-rxn:4:221209:223955,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(SCc5ccccc5[N+](=O)[O-])cc4)cc3)CC2)n1,XIHWBTQJCKLKFZ-UHFFFAOYSA-N
-rxn:4:221209:224060,COc1c(C(C)(C)C)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1C(C)(C)C,DUKYSHDRSUOMLL-UHFFFAOYSA-N
-rxn:4:221209:224195,CCN1CCN(Cc2cc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)ccc2Cl)CC1,ATOKUFZYXABXTG-UHFFFAOYSA-N
-rxn:4:221209:224356,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,JAFIWYHDGIUODZ-UHFFFAOYSA-N
-rxn:4:221209:224496,CCN1CCN(Cc2cccc(-c3ccc(CCN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)c2)CC1,MXOWUCNEHYVZBB-UHFFFAOYSA-N
-rxn:4:221209:225370,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C(F)(F)F)n1,FWLQGDHZQATNAM-UHFFFAOYSA-N
-rxn:4:221209:225555,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3)CC2)n1,MPLWNWHBKLVWAL-UHFFFAOYSA-N
-rxn:4:221209:225817,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)F)c(C5CC5)c4)cc3)CC2)n1,AFZVHHILXARGRX-UHFFFAOYSA-N
-rxn:4:221209:225833,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,ZBBNGYORFPBAOE-UHFFFAOYSA-N
-rxn:4:221209:226239,CCCOC(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,NKQJQMFWDGLUAU-UHFFFAOYSA-N
-rxn:4:221209:226319,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)N5CCC5)cc4)cc3)CC2)n1,YZTASQCTQLOSQD-UHFFFAOYSA-N
-rxn:4:221209:226426,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCC(C)CC5)s4)cc3)CC2)n1,GGMIHOWSBBNWEJ-UHFFFAOYSA-N
-rxn:4:221209:227044,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)CC2)n1,HPGDHGHUOXYQLJ-UHFFFAOYSA-N
-rxn:4:221209:227183,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc5c(c4)CN(C)C5=O)cc3)CC2)n1,SNWGWHRBPIQZIL-UHFFFAOYSA-N
-rxn:4:221209:227668,COc1c(F)cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(C)c1F,BYZPLCAVHHRDLP-UHFFFAOYSA-N
-rxn:4:221230:224818,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C1)CCC2,LCVXGTIAYONISG-UHFFFAOYSA-N
-rxn:4:221232:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)CC1,XHSABIXHVLKELN-UHFFFAOYSA-N
-rxn:4:221247:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3nc(SCC(=O)N4CCOCC4)c4c(=O)n(C)c(=O)n(C)c4n3)cc2)c1,HHSYKHZLKPMFDH-UHFFFAOYSA-N
-rxn:4:221264:222948,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,SFUBJKAOGIONDB-UHFFFAOYSA-N
-rxn:4:221272:224764,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3F)cc2)n(C)c1=O,KJYIKZGKVBTEFF-UHFFFAOYSA-N
-rxn:4:221341:223754,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)cc2Cl)CC1,VSOHRANDBOYHGU-UHFFFAOYSA-N
-rxn:4:221370:223895,CCN1CCN(CCOc2ccc(-c3cnc(SC)nc3N3CCN(c4ccnc(OC)c4)C(=O)C3)cc2)CC1,SQBFWKULFDHLJD-UHFFFAOYSA-N
-rxn:4:221395:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,JPBSLDYSXPQHFY-UHFFFAOYSA-N
-rxn:4:221404:223786,CN1CCN(CCCOc2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2Cl)CC1,DUCYXIKGNJVIPI-UHFFFAOYSA-N
-rxn:4:221410:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCN(c5cc(N(C)C)ncn5)CC4)cc3)ccc2F)CC1,UYAQSGSNXSZBIB-UHFFFAOYSA-N
-rxn:4:221416:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)c1,RONPNVFFIOMOAS-UHFFFAOYSA-N
-rxn:4:221417:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(n5nc(-n6nc(C)cc6C)ccc5=O)CC4)o3)c2)CC1,PZSGBVMHGGADGR-UHFFFAOYSA-N
-rxn:4:221422:222458,O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,LAQCVEVGQKDYMT-UHFFFAOYSA-N
-rxn:4:221423:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc21,QRMXSJBZDFRESV-UHFFFAOYSA-N
-rxn:4:221425:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc1,QWKTVLROOONMOI-UHFFFAOYSA-N
-rxn:4:221426:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)CC1,NDABERKAPHIQMA-UHFFFAOYSA-N
-rxn:4:221432:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,BLFLUMBSSWNDLO-UHFFFAOYSA-N
-rxn:4:221432:226528,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c(Cl)c1,PTVUMVKDMHPXHA-UHFFFAOYSA-N
-rxn:4:221433:223184,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCNCC5)nc4)cc3)CC2)n1,UZLZGQOVKUODAS-UHFFFAOYSA-N
-rxn:4:221433:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)cc3)cc2)CC1,JDQGTNLYBWJQIB-UHFFFAOYSA-N
-rxn:4:221433:225657,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c(C)c4)cc3)CC2)n1,WWPLWENYRMTIAW-UHFFFAOYSA-N
-rxn:4:221440:224487,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN5CCCCC5)c4)cc3)CC2)n1,YRILQFSKTDJGAI-UHFFFAOYSA-N
-rxn:4:221440:227356,CCOc1cc(F)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,YUQLFNGZAPVBRV-UHFFFAOYSA-N
-rxn:4:221440:227362,CCOc1cc(C)cc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,QRDPUCOUIVSLNI-UHFFFAOYSA-N
-rxn:4:221444:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccccc3CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc1,VPESMVMRMKJFJZ-UHFFFAOYSA-N
-rxn:4:221447:222515,Cc1cc(N2CCN(Cc3ccc(-c4ccc(CNS(=O)(=O)c5ccc(Cl)cc5)cc4)cc3)CC2)nc(N2CCOCC2)n1,DBKJDIOXOOMSCW-UHFFFAOYSA-N
-rxn:4:221447:222580,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cc3)CC2)nc(N2CCOCC2)n1,VWDZFXMIAGWGKG-UHFFFAOYSA-N
-rxn:4:221447:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BVKLAZYNGODGTG-UHFFFAOYSA-N
-rxn:4:221447:224060,COc1c(C(C)(C)C)cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1C(C)(C)C,LAHLUMXYXHFGHQ-UHFFFAOYSA-N
-rxn:4:221447:224176,Cc1cc(N2CCN(Cc3ccc(-c4ccc(OCCSC5CCOCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,LXCRUJSLAVPMNE-UHFFFAOYSA-N
-rxn:4:221449:222412,CNC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,LFWUMAKTPCOXCV-UHFFFAOYSA-N
-rxn:4:221449:222562,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5cccc(Cl)c5)c4)cc3)CC2)n1,UMECMJGDTSNJCA-UHFFFAOYSA-N
-rxn:4:221449:222649,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)Oc5ccccc5)cc4)cc3)CC2)n1,KUKVWNHZMVJHAN-UHFFFAOYSA-N
-rxn:4:221449:222693,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3)CC2)n1,HGHKUCZSZLEFLZ-UHFFFAOYSA-N
-rxn:4:221449:222967,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2)n1,RGUXDAWKNDOMGV-UHFFFAOYSA-N
-rxn:4:221449:223110,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(C)(C)C)cc4)cc3)CC2)n1,VHQUARIUACVEAZ-UHFFFAOYSA-N
-rxn:4:221449:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,QZIZOKCLEJMGON-UHFFFAOYSA-N
-rxn:4:221449:223140,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,KWXGKNMXJTVWLK-UHFFFAOYSA-N
-rxn:4:221449:223271,CC(=O)Nc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,YSJHWQHZRNJFAV-UHFFFAOYSA-N
-rxn:4:221449:223588,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)n1,STZGYZFNSAUYMH-UHFFFAOYSA-N
-rxn:4:221449:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,KJJOJRJTUPRZHB-UHFFFAOYSA-N
-rxn:4:221449:223892,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cc3)CC2)n1,RPAMTWVRZWTWNA-UHFFFAOYSA-N
-rxn:4:221449:223906,COc1ccc(CSc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2F)cc1,VJNZBHIEOUEVRR-UHFFFAOYSA-N
-rxn:4:221449:223965,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Oc5cccc(C(F)(F)F)c5)cc4)cc3)CC2)n1,MRVKNVATOKWCPZ-UHFFFAOYSA-N
-rxn:4:221449:224201,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C)nc4OCc4ccccc4)cc3)CC2)n1,SMCSNKVDRQBVTC-UHFFFAOYSA-N
-rxn:4:221449:224622,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccn(C(=O)OCc5ccccc5)c4)cc3)CC2)n1,RAIMTPOYIHDPNY-UHFFFAOYSA-N
-rxn:4:221449:224671,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)cc3)CC2)n1,JKPRJXAUJHXMLT-UHFFFAOYSA-N
-rxn:4:221449:224977,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)c(C#N)c4)cc3)CC2)n1,HWBZBEVRKYZUNC-UHFFFAOYSA-N
-rxn:4:221449:225220,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3)CC2)n1,FSXPMULGAIPUEF-UHFFFAOYSA-N
-rxn:4:221449:225470,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4)cc3)CC2)n1,PNNDJUGDMBYULI-UHFFFAOYSA-N
-rxn:4:221449:225633,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)n1,CKQXIIRTSCKGEB-UHFFFAOYSA-N
-rxn:4:221449:225825,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,GJXDFPPWMQNLRP-UHFFFAOYSA-N
-rxn:4:221449:225859,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,AFUYVGFJTZLAFS-UHFFFAOYSA-N
-rxn:4:221449:226104,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(COC(C)(C)C)c4)cc3)CC2)n1,YINVXXOXQSVKGI-UHFFFAOYSA-N
-rxn:4:221449:226544,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)c1,BWGWKJIVJZUARP-UHFFFAOYSA-N
-rxn:4:221449:226557,CCOc1c(OC)ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,XTHXVKZXGMEUNW-UHFFFAOYSA-N
-rxn:4:221449:227881,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,ORASUQNJKIVMIE-UHFFFAOYSA-N
-rxn:4:221449:228086,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC#N)c4)cc3)CC2)n1,OGZQEIXVZVNSJS-UHFFFAOYSA-N
-rxn:4:221449:228099,CCN(C)c1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,MMMKFRQTIVRZIQ-UHFFFAOYSA-N
-rxn:4:221451:227357,CCC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)ccc1F,AMMKHKWDCIBVSU-UHFFFAOYSA-N
-rxn:4:221452:223753,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)c3)CC2)n1,AWBIMUOKNPUQAC-UHFFFAOYSA-N
-rxn:4:221452:227360,CCC(=O)c1ccc(Cl)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,HCMCQELUUCJBTH-UHFFFAOYSA-N
-rxn:4:221452:227494,CCC(C)c1nc(Cl)ncc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,STWQWZRWLURICJ-UHFFFAOYSA-N
-rxn:4:221452:227553,COC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c(Cl)c1,VHKWZGKJCGUCLK-UHFFFAOYSA-N
-rxn:4:221452:228295,CCOC(=O)n1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,CFTATIRXUBFRBE-UHFFFAOYSA-N
-rxn:4:221453:223005,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCNCC5)c(Cl)c4)cc3)CC2)n1,SLDXGCDYIKGOGZ-UHFFFAOYSA-N
-rxn:4:221453:223059,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)CC2)n1,AWIPSBRAKHYXGO-UHFFFAOYSA-N
-rxn:4:221453:223257,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,BLSVWSXAQIYUDT-UHFFFAOYSA-N
-rxn:4:221453:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,YVNSSTPFVHXFBP-UHFFFAOYSA-N
-rxn:4:221453:223598,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc3)CC2)n1,DPDBSDMNGBWDPN-UHFFFAOYSA-N
-rxn:4:221453:223660,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)CC2)n1,FSDIVLOWANWOCK-UHFFFAOYSA-N
-rxn:4:221453:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)c1,LTASSEWKEFWSGF-UHFFFAOYSA-N
-rxn:4:221453:223755,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3)CC2)n1,WHSCQIJXOASAFG-UHFFFAOYSA-N
-rxn:4:221453:223870,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N(C)Cc5ccccc5)cc4)cc3)CC2)n1,HXLSDWCGAMLRRP-UHFFFAOYSA-N
-rxn:4:221453:223892,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cc3)CC2)n1,PHZSJVXCZOMTPN-UHFFFAOYSA-N
-rxn:4:221453:224389,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(-n5ccc(C)n5)cc4C(F)(F)F)cc3)CC2)n1,RKHUTYDOPRWJFX-UHFFFAOYSA-N
-rxn:4:221453:224410,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3)CC2)n1,QENWHPNSAZPCCR-UHFFFAOYSA-N
-rxn:4:221453:225145,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c(C#N)c4)cc3)CC2)n1,XHJPUVFPOSHMKK-UHFFFAOYSA-N
-rxn:4:221453:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,DFLCNXHSZQYMHW-UHFFFAOYSA-N
-rxn:4:221453:225436,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)CC2)n1,GONUISWGWRVBMU-UHFFFAOYSA-N
-rxn:4:221453:225541,CCN(CC)Cc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,QZYALZWSQKFRNV-UHFFFAOYSA-N
-rxn:4:221453:225714,CCOCCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1Cl,LTPCONKGYXMEJA-UHFFFAOYSA-N
-rxn:4:221453:225805,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)N5CCOCC5)s4)cc3)CC2)n1,SEINCUBQHWHIPK-UHFFFAOYSA-N
-rxn:4:221453:225875,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)cc4Cl)cc3)CC2)n1,WKHJLJNIQVIFAH-UHFFFAOYSA-N
-rxn:4:221453:225898,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)CC2)n1,IUKOJYTYEPAZOT-UHFFFAOYSA-N
-rxn:4:221453:226069,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C5CCCCC5)c4)cc3)CC2)n1,COVLUITZCLVDHJ-UHFFFAOYSA-N
-rxn:4:221453:226131,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4CN4CCCC4)cc3)CC2)n1,UZYNSVRZSDDFIP-UHFFFAOYSA-N
-rxn:4:221453:226605,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(OC(C)C)cc4F)cc3)CC2)n1,LRYHRWFXAAVQII-UHFFFAOYSA-N
-rxn:4:221453:227022,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCC5)cc4)cc3)CC2)n1,USCQEVCHSGUBSE-UHFFFAOYSA-N
-rxn:4:221453:227111,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(C)cc(C5CC5)cc4Cl)cc3)CC2)n1,VJJOUMIRHCTMET-UHFFFAOYSA-N
-rxn:4:221453:227332,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4OC(C)C)cc3)CC2)n1,QPUNQGGHUFUGSP-UHFFFAOYSA-N
-rxn:4:221453:227343,COC(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,QASYOEZNNCNMNH-UHFFFAOYSA-N
-rxn:4:221453:227357,CCC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,GNECAFHBOZOXIX-UHFFFAOYSA-N
-rxn:4:221453:227655,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(F)c(N(C)C)c4)cc3)CC2)n1,RZGJEMRUXYWLMS-UHFFFAOYSA-N
-rxn:4:221455:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)c(F)cc2C)CC1,VANXKUPZQRPJNQ-UHFFFAOYSA-N
-rxn:4:221455:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,KGEXWJHMOPHEKR-UHFFFAOYSA-N
-rxn:4:221456:222397,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCc5c[nH]cn5)cc4)cc3)CC2)n1,LNSRVTLPLVPLJH-UHFFFAOYSA-N
-rxn:4:221456:222634,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3)CC2)n1,YZBWFHQKCYXPHQ-UHFFFAOYSA-N
-rxn:4:221456:222716,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cc3)CC2)n1,OMHMHZKLFHQRQN-UHFFFAOYSA-N
-rxn:4:221456:222881,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4F)cc3)CC2)n1,QLACLJOAMJALHF-UHFFFAOYSA-N
-rxn:4:221456:222974,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC(C)(C)C)cc4)cc3)CC2)n1,HULGHMASFMWFAF-UHFFFAOYSA-N
-rxn:4:221456:222989,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCNCC5)cc4C)cc3)CC2)n1,RJQPQTLJEQCAQY-UHFFFAOYSA-N
-rxn:4:221456:223051,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CC5)ccc4Cl)cc3)CC2)n1,CETOAVABJQWXRN-UHFFFAOYSA-N
-rxn:4:221456:223077,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)CC2)n1,JGUYAMIVCZQFRM-UHFFFAOYSA-N
-rxn:4:221456:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,FIFLGCPSCZLABF-UHFFFAOYSA-N
-rxn:4:221456:223240,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,BFYLMHOBCNPRDY-UHFFFAOYSA-N
-rxn:4:221456:223354,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,XOESXKQERVTDCZ-UHFFFAOYSA-N
-rxn:4:221456:223556,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)cc3)CC2)n1,KZWRDZDHXUGITC-UHFFFAOYSA-N
-rxn:4:221456:223573,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,WPEFZSOOTGPJIB-UHFFFAOYSA-N
-rxn:4:221456:223961,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cc3)CC2)n1,PLPPOLZAAYGBAW-UHFFFAOYSA-N
-rxn:4:221456:224091,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)cc4OCc4ccccc4)cc3)CC2)n1,UJFJKZCEJYQKFP-UHFFFAOYSA-N
-rxn:4:221456:224279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)cc3)CC2)n1,YYHMLRAGFBLFTO-UHFFFAOYSA-N
-rxn:4:221456:224333,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(-c5cc(C(F)(F)F)ccn5)c4)cc3)CC2)n1,OQWQMSXTXOMHBC-UHFFFAOYSA-N
-rxn:4:221456:224716,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)cc3)CC2)n1,IWVRVUXJGHXLTB-UHFFFAOYSA-N
-rxn:4:221456:224823,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5cscn5)cc(C(F)(F)F)c4)cc3)CC2)n1,CYLYEPQLDDVSPY-UHFFFAOYSA-N
-rxn:4:221456:224877,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(COC5CCCCC5)cc4)cc3)CC2)n1,LLGOQEFZMLCKRS-UHFFFAOYSA-N
-rxn:4:221456:224966,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CCOCC5)cc4)cc3)CC2)n1,GZGDFYLYFUDJLK-UHFFFAOYSA-N
-rxn:4:221456:225109,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OC(=O)OC(C)(C)C)c4)cc3)CC2)n1,LTJICQGWEHYBON-UHFFFAOYSA-N
-rxn:4:221456:225394,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)cc(C5CC5)c4)cc3)CC2)n1,FXJLOMINQLNHAE-UHFFFAOYSA-N
-rxn:4:221456:225423,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CCCCN(C)C)cc4)cc3)CC2)n1,OQPGXWCRYXCWQT-UHFFFAOYSA-N
-rxn:4:221456:225506,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(cnn5CC(C)C)c4)cc3)CC2)n1,KBSWESSNMGLSNX-UHFFFAOYSA-N
-rxn:4:221456:225522,CCCCOc1cc(OC)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,LGOMDYBFPWVKJI-UHFFFAOYSA-N
-rxn:4:221456:225545,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4C(=O)OCC(C)C)cc3)CC2)n1,NLFMCFBRYFJZQU-UHFFFAOYSA-N
-rxn:4:221456:225567,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OC(C)C)c(C)c4)cc3)CC2)n1,LZRPTLXWCFIFDG-UHFFFAOYSA-N
-rxn:4:221456:225613,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCCC5)c4)cc3)CC2)n1,PWFJZPXSLUROCO-UHFFFAOYSA-N
-rxn:4:221456:225827,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)n1,RDRFXARMRGAOFR-UHFFFAOYSA-N
-rxn:4:221456:225829,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(C)CC5)nc4)cc3)CC2)n1,TVMGSDYIOJZVRS-UHFFFAOYSA-N
-rxn:4:221456:225933,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nc(C(F)(F)F)c4)cc3)CC2)n1,LLRZHGQSNOYORU-UHFFFAOYSA-N
-rxn:4:221456:225991,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)nn4CC(C)C)cc3)CC2)n1,RPLXCKZGNUVQKL-UHFFFAOYSA-N
-rxn:4:221456:226238,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C#N,HOFXDMVDFASDLD-UHFFFAOYSA-N
-rxn:4:221456:226275,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OCC(C)C)c(C)c4)cc3)CC2)n1,RVEQVJKVYVEZCK-UHFFFAOYSA-N
-rxn:4:221456:226324,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4OC4CCCC4)cc3)CC2)n1,AIPCEYLFUDJLRC-UHFFFAOYSA-N
-rxn:4:221456:226839,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)ncc4C#N)cc3)CC2)n1,HHKRMORITQWPEO-UHFFFAOYSA-N
-rxn:4:221456:226989,CCN(CC)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,HYLXFEFDEQWVGV-UHFFFAOYSA-N
-rxn:4:221456:227111,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cc(C5CC5)cc4Cl)cc3)CC2)n1,CRQBCPMCIKZDOG-UHFFFAOYSA-N
-rxn:4:221456:227233,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1CC#N,HYGMGOPVWDFLDY-UHFFFAOYSA-N
-rxn:4:221456:227327,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)C)c(Cl)c4)cc3)CC2)n1,FPUDRJXCVPIPRX-UHFFFAOYSA-N
-rxn:4:221456:227390,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCCC4)cc3)CC2)n1,KUQFEAQVJJSJFH-UHFFFAOYSA-N
-rxn:4:221456:227945,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N(C)C)c(C)c4)cc3)CC2)n1,DMSLTNIJUXAFHX-UHFFFAOYSA-N
-rxn:4:221456:228083,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(CCC(C)C)c4)cc3)CC2)n1,UTXABKCLCFRDRL-UHFFFAOYSA-N
-rxn:4:221456:228108,CCc1ncc(C#N)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,LUZWCBRXXAAAIN-UHFFFAOYSA-N
-rxn:4:221456:228111,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)CC2)n1,DKZXXTWSNKBEMX-UHFFFAOYSA-N
-rxn:4:221456:228130,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CC#N)cc4F)cc3)CC2)n1,CGXJATMKAMZHAE-UHFFFAOYSA-N
-rxn:4:221456:228131,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(CC#N)c4)cc3)CC2)n1,VDAKJVIBLKZYQT-UHFFFAOYSA-N
-rxn:4:221456:228132,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CC#N)c4F)cc3)CC2)n1,JVPSRRPJXNOEHE-UHFFFAOYSA-N
-rxn:4:221456:228152,CCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,WXCJWGMJRXRXHQ-UHFFFAOYSA-N
-rxn:4:221456:228158,CCOc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,XZGFSJJHDDGZAE-UHFFFAOYSA-N
-rxn:4:221456:228163,CCOc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,KGQBYFGYUWZNHW-UHFFFAOYSA-N
-rxn:4:221456:228165,CCOc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,KQVLHNTYZQPITA-UHFFFAOYSA-N
-rxn:4:221456:228166,CCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,BOEXDHUZQVPDHO-UHFFFAOYSA-N
-rxn:4:221456:228167,CCOc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,ACYIYHHOAHEAHT-UHFFFAOYSA-N
-rxn:4:221456:228170,CCOc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,LKMHHOYCGMXTQU-UHFFFAOYSA-N
-rxn:4:221456:228173,CCOc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,ZWFVCFQBWIFSNR-UHFFFAOYSA-N
-rxn:4:221456:228189,CCSc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,GAMPFFREVCJMNF-UHFFFAOYSA-N
-rxn:4:221456:228191,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N(C)C)c(C)c4)cc3)CC2)n1,CFUMRINXTNWDGP-UHFFFAOYSA-N
-rxn:4:221456:228204,Cc1cc(C#N)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,MXWJACXBSOSJTP-UHFFFAOYSA-N
-rxn:4:221456:228234,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,AXUJJBXGUNHTTM-UHFFFAOYSA-N
-rxn:4:221456:228246,CC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IQLOVAIHMAEMRX-UHFFFAOYSA-N
-rxn:4:221456:228247,CC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,YJAQIIUYCKAWEG-UHFFFAOYSA-N
-rxn:4:221456:228248,CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,DXMDZAOCTLYNPA-UHFFFAOYSA-N
-rxn:4:221456:228257,COc1cc(C)cc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,PZXYXDPMYLNXEH-UHFFFAOYSA-N
-rxn:4:221456:228261,CSc1ccc(F)c(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,WCAGNTVJYWJUOA-UHFFFAOYSA-N
-rxn:4:221456:228273,COc1cc(Cl)cc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YDNCLRBAGLXRFY-UHFFFAOYSA-N
-rxn:4:221456:228277,COc1ccc(F)c(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,QERXHUYZXOAVGW-UHFFFAOYSA-N
-rxn:4:221456:228279,CCc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,XVQOGGIPRHUAEK-UHFFFAOYSA-N
-rxn:4:221456:228312,COc1cnc(C#N)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,DQDUPGTYDLSIAZ-UHFFFAOYSA-N
-rxn:4:221456:228964,COC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)s1,YULGABIMALEREX-UHFFFAOYSA-N
-rxn:4:221479:223755,Cc1cc(OC2CN(C(=O)c3ccccc3-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)C2)n2ncnc2n1,PEJDPWPIBSMHNF-UHFFFAOYSA-N
-rxn:4:221498:225561,CC(C)(C)OC(=O)c1ccccc1-c1c[nH]c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c12,HHOYYLKUQKDXMK-UHFFFAOYSA-N
-rxn:4:221522:223533,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cn4)CC3)cnc2c1,BFTLBFOMUMNLLF-UHFFFAOYSA-N
-rxn:4:221528:224612,CC(C)c1sc(-c2ccc(OCCN3CCOCC3)cc2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,ISKXYMGKYHVCAH-UHFFFAOYSA-N
-rxn:4:221535:225127,Cc1cc(-c2ccc(Cn3c(CN4CCOCC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)c(F)c(OCC(C)C)c1F,HTFCRQDKHFUDPJ-UHFFFAOYSA-N
-rxn:4:221539:223753,Cc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1OCCCN1CCN(C)CC1,VAECYOXLWRGJSF-UHFFFAOYSA-N
-rxn:4:221642:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)c3ccccc23)CC1,NKGORXDJHCPSQB-UHFFFAOYSA-N
-rxn:4:221645:224169,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cccc(OCCCN5CCOCC5)c4)cn3)CC2)n1,XSXOIPPRXFEXPL-UHFFFAOYSA-N
-rxn:4:221732:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CC5CN(c6nc7ccccc7n6C)CC5C4)c3)c(F)c2)CC1,FKCRZOSSCBWONK-UHFFFAOYSA-N
-rxn:4:221742:223945,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2)n(C)c1=O,KDVYDAMNFACQSC-UHFFFAOYSA-N
-rxn:4:221764:222633,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)c(=O)n(C)c3nc2n1C1CCCC1,IKZXILKJRKWLKT-UHFFFAOYSA-N
-rxn:4:221836:224684,O=C1CCN(C(=O)c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,HHMNYQOPDCDNTE-UHFFFAOYSA-N
-rxn:4:221914:222684,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)n2)CC1,ZWTICAMHOVOTGG-UHFFFAOYSA-N
-rxn:4:221933:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2Cl)CC1,KDGQGYVRNOTTBF-UHFFFAOYSA-N
-rxn:4:221937:223945,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1,KNIXYMBFQMIPBA-UHFFFAOYSA-N
-rxn:4:221940:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(OCC3CCN(Cc4nncn4C)CC3)nc2)c1,SCSQDJOWADMVAS-UHFFFAOYSA-N
-rxn:4:221944:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccccc4)CC3)o2)cc1OCCCN1CCN(C)CC1,GRHWMMSHHRTPEA-UHFFFAOYSA-N
-rxn:4:221945:223753,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c4)C3)nn2)n1,UIGQIJAJFCBYGQ-UHFFFAOYSA-N
-rxn:4:221965:222415,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(S(N)(=O)=O)c5)cc4)CC3)nn2)CC1,AKAZKARIBOYBTF-UHFFFAOYSA-N
-rxn:4:221965:222558,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6ccc(OC)cc6)c5)cc4)CC3)nn2)CC1,LWHFAZCZHATTBH-UHFFFAOYSA-N
-rxn:4:221965:222633,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cc4)CC3)nn2)CC1,VEYILCDZVHZFQY-UHFFFAOYSA-N
-rxn:4:221965:222741,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,VZJWRGVOIHZOEG-UHFFFAOYSA-N
-rxn:4:221965:222861,CCCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,NFVDMBUIHZTTFV-UHFFFAOYSA-N
-rxn:4:221965:223254,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(CNC(C)=O)c5)cc4)CC3)nn2)CC1,VEUQCTBZDMPSCI-UHFFFAOYSA-N
-rxn:4:221965:223831,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCC(C)CC6)c5)cc4)CC3)nn2)CC1,OXLWZEHJIJSSLY-UHFFFAOYSA-N
-rxn:4:221965:223966,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)cc5)cc4)CC3)nn2)CC1,QXTFATBQCAKFCR-UHFFFAOYSA-N
-rxn:4:221965:223993,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4)CC3)nn2)CC1,IUQWLKLRKGOLLQ-UHFFFAOYSA-N
-rxn:4:221965:224114,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5OCCc5ccccc5)cc4)CC3)nn2)CC1,YUJHLABEFONKIZ-UHFFFAOYSA-N
-rxn:4:221965:224183,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCc6ccc(OC)cc6)nc5)cc4)CC3)nn2)CC1,YPCZOSYWVKSVGW-UHFFFAOYSA-N
-rxn:4:221965:224199,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C(C)=O)CC6)cc5)cc4)CC3)nn2)CC1,YPGIHONGODNDMX-UHFFFAOYSA-N
-rxn:4:221965:224262,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-c6ccccc6)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,LDDVDOFQFBFHLU-UHFFFAOYSA-N
-rxn:4:221965:224320,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCCC6)ccc5C)cc4)CC3)nn2)CC1,JVPBMMMTJJGQSL-UHFFFAOYSA-N
-rxn:4:221965:224409,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCC(F)(F)F)cc(C(F)(F)F)c5)cc4)CC3)nn2)CC1,JJVILSGTXMPAOL-UHFFFAOYSA-N
-rxn:4:221965:224767,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)N6CCOCC6)c5F)cc4)CC3)nn2)CC1,RRTNIVUVGFLWFW-UHFFFAOYSA-N
-rxn:4:221965:225008,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCC(OC)CC6)cc5)cc4)CC3)nn2)CC1,PSSCBCYHRMAKIW-UHFFFAOYSA-N
-rxn:4:221965:225664,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)cc5Cl)cc4)CC3)nn2)CC1,VNKCUAPGORPVAH-UHFFFAOYSA-N
-rxn:4:221965:225666,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(N6CCCCC6)c5)cc4)CC3)nn2)CC1,NHSJNAKTQOMUIR-UHFFFAOYSA-N
-rxn:4:221965:225684,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCOCC6)nc5C)cc4)CC3)nn2)CC1,JYWDKAUXBRPVFY-UHFFFAOYSA-N
-rxn:4:221965:225803,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OC6CCOCC6)c5)cc4)CC3)nn2)CC1,HGYMFFJZUIUESQ-UHFFFAOYSA-N
-rxn:4:221965:226088,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN(CC)CC)cc5)cc4)CC3)nn2)CC1,HPJWFOXYBZVDOX-UHFFFAOYSA-N
-rxn:4:221965:226268,CCCOc1c(SC)cccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,DAVJQJFTFGAGEJ-UHFFFAOYSA-N
-rxn:4:221965:226269,CCOc1ccc(OCC)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,RLNKMRBCZWHJOK-UHFFFAOYSA-N
-rxn:4:221965:226277,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC(C)(C)C)nc5)cc4)CC3)nn2)CC1,KWBIOFVYEPVDGK-UHFFFAOYSA-N
-rxn:4:221965:226852,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(OC)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,VASMTEDUNHSCDA-UHFFFAOYSA-N
-rxn:4:221965:226984,CCCOCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,NEKIMZYEJYRAHS-UHFFFAOYSA-N
-rxn:4:221965:227069,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)cc5C(C)C)cc4)CC3)nn2)CC1,CDNYTNHUBSNZBX-UHFFFAOYSA-N
-rxn:4:221965:227100,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(C6CC6)cc5F)cc4)CC3)nn2)CC1,XDBAGLLZTCOZQJ-UHFFFAOYSA-N
-rxn:4:221965:227121,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,GFFDRUHIVVCCPI-UHFFFAOYSA-N
-rxn:4:221965:227234,CCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1C#N,FCNFBPFFGBUDGL-UHFFFAOYSA-N
-rxn:4:221965:227276,CCc1cc(N(C)C)ncc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)cc1,XEZBEZRFPCRHMD-UHFFFAOYSA-N
-rxn:4:221965:227473,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(CC[N+](=O)[O-])c5)cc4)CC3)nn2)CC1,KJOHWEAZFGQSQP-UHFFFAOYSA-N
-rxn:4:221965:227483,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(=O)OC)nc5)cc4)CC3)nn2)CC1,ARBATVDOCNVQLV-UHFFFAOYSA-N
-rxn:4:221965:227487,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)cc5OCSC)cc4)CC3)nn2)CC1,DFMSZFHAJIIITG-UHFFFAOYSA-N
-rxn:4:221965:227503,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC(C)C)ncc5F)cc4)CC3)nn2)CC1,ZFMZMUBDUKCIIV-UHFFFAOYSA-N
-rxn:4:221965:227868,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)OCCC6)cc4)CC3)nn2)CC1,JUFSGFBNMUJTRS-UHFFFAOYSA-N
-rxn:4:221965:228417,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(F)F)c5)cc4)CC3)nn2)CC1,WIFPODQGEKJGIO-UHFFFAOYSA-N
-rxn:4:221975:222735,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,DEYFZVCEPARHAX-UHFFFAOYSA-N
-rxn:4:221975:222848,CCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,URQDQNONTUXXRY-UHFFFAOYSA-N
-rxn:4:221975:222924,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C)c(S(=O)(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1,PQGPTIPDJYBGIV-UHFFFAOYSA-N
-rxn:4:221975:222982,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CC[C@@H](O)C7)cc6)cc5)no4)C3C2=O)cc1,GKAUDJDHWGEHID-CGRGFOQSSA-N
-rxn:4:221975:223652,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(Cl)ccc(OC)c7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,NRNNPAISZCIDGG-UHFFFAOYSA-N
-rxn:4:221975:223841,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCN(C)CC7)c(C)cc6F)cc5)no4)C3C2=O)cc1,AJWAFPHDVJEQSV-UHFFFAOYSA-N
-rxn:4:221975:224285,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1,KZBRGXXSFCKDOI-UHFFFAOYSA-N
-rxn:4:221975:224690,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6F)cc5)no4)C3C2=O)cc1,HLNMRKCPYHKVOI-UHFFFAOYSA-N
-rxn:4:221975:224754,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCCCC6)cc5)no4)C3C2=O)cc1,KYNRGMRWDZTYPM-UHFFFAOYSA-N
-rxn:4:221975:224845,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)no4)C3C2=O)cc1,BFMICSSKQKOTIO-UHFFFAOYSA-N
-rxn:4:221975:225056,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC(C)C7)cc6F)cc5)no4)C3C2=O)cc1,ZWLCUGWGKUJMAK-UHFFFAOYSA-N
-rxn:4:221975:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,ZHSMVOSQMJPNLL-UHFFFAOYSA-N
-rxn:4:221975:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)n2)cc1,QVHFGQFYRKJERR-UHFFFAOYSA-N
-rxn:4:221975:225334,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)cc6COCC(F)(F)F)cc5)no4)C3C2=O)cc1,FKHFRGQYEIIPTQ-UHFFFAOYSA-N
-rxn:4:221975:225433,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CSC7CCCC7)cc6)cc5)no4)C3C2=O)cc1,WZLIMRHVBXBUSC-UHFFFAOYSA-N
-rxn:4:221975:225555,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,FEPVGEWDJOTSLJ-UHFFFAOYSA-N
-rxn:4:221975:225567,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)C)c(C)c6)cc5)no4)C3C2=O)cc1,ITEABMNFPMFKEJ-UHFFFAOYSA-N
-rxn:4:221975:225625,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1,JOTVCNTXEAKFLJ-UHFFFAOYSA-N
-rxn:4:221975:225633,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCCC7)nc6)cc5)no4)C3C2=O)cc1,WKNAJEVDNATZIW-UHFFFAOYSA-N
-rxn:4:221975:225732,CCOC(=O)Cc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)cc1F,NANDQTWOASEION-UHFFFAOYSA-N
-rxn:4:221975:226006,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(OCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,YCYZQONMUSLBQT-UHFFFAOYSA-N
-rxn:4:221975:226009,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)cc6OC)cc5)no4)C3C2=O)cc1,XTPHWOHPFXXEBQ-UHFFFAOYSA-N
-rxn:4:221975:226051,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(OC(F)(F)F)ccc(F)c6F)cc5)no4)C3C2=O)cc1,HTBHJQXCQXDIMQ-UHFFFAOYSA-N
-rxn:4:221975:226559,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)OC(C)(C)C)cs6)cc5)no4)C3C2=O)cc1,UDEHJYLJMYNKAJ-UHFFFAOYSA-N
-rxn:4:221975:226837,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(C)nn(CC(F)(F)F)c6C)cc5)no4)C3C2=O)cc1,RQPSLBFCKCQWMC-UHFFFAOYSA-N
-rxn:4:221982:222388,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)Nc7ccc([N+](=O)[O-])cc7)c6)cc5)no4)C3C2=O)cc1,SAXWOFVCVFFHLZ-UHFFFAOYSA-N
-rxn:4:221982:222393,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N[C@H]7CC[C@H](O)CC7)c6)cc5)no4)C3C2=O)cc1,SPRMZXDKXIIZNT-BCYBZIRRSA-N
-rxn:4:221982:222516,Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,XJAMOXWGODJQED-UHFFFAOYSA-N
-rxn:4:221982:222582,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,GKNIECOXEJARGK-UHFFFAOYSA-N
-rxn:4:221982:222775,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,FRCDAANXQSXGKP-UHFFFAOYSA-N
-rxn:4:221982:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,LLWORZRXHGBYNN-UHFFFAOYSA-N
-rxn:4:221982:222948,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6Cl)cc5)no4)C3C2=O)cc1,ORECYRQKIOYWPG-UHFFFAOYSA-N
-rxn:4:221982:223059,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6Cl)cc5)no4)C3C2=O)cc1,GWBQNJDFOWSJNP-UHFFFAOYSA-N
-rxn:4:221982:223065,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1,AZFSBDDHPSVHLC-UHFFFAOYSA-N
-rxn:4:221982:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,JGWUEXXMGOYDQX-UHFFFAOYSA-N
-rxn:4:221982:223107,COc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1NS(C)(=O)=O,VTGZXACRHURFFT-UHFFFAOYSA-N
-rxn:4:221982:223127,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC7CC7)cc6F)cc5)no4)C3C2=O)cc1,WKZRFCJKTAUIJQ-UHFFFAOYSA-N
-rxn:4:221982:223160,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)c1,QSZUALFYWPOPFX-UHFFFAOYSA-N
-rxn:4:221982:223185,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CNCCO7)nc6)cc5)no4)C3C2=O)cc1,LFSWAWKLYKQWGS-UHFFFAOYSA-N
-rxn:4:221982:223188,CNc1cc(C(F)(F)F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cn1,YPKZPTFMXSAVGJ-UHFFFAOYSA-N
-rxn:4:221982:223534,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cc5)no4)C3C2=O)cc1,TVHWYXDISPHCCH-UHFFFAOYSA-N
-rxn:4:221982:223916,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCN(C(C)C)CC7)cc6)cc5)no4)C3C2=O)cc1,SUAOMSJYARIHQR-UHFFFAOYSA-N
-rxn:4:221982:223932,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7c(Cl)cccc7n6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1,NAIQPHHOGQMZQC-UHFFFAOYSA-N
-rxn:4:221982:223993,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,XGHZCXMCFARRQE-UHFFFAOYSA-N
-rxn:4:221982:224190,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1O[Si](C)(C)C(C)(C)C,MFRRXWJPZWSXNX-UHFFFAOYSA-N
-rxn:4:221982:224257,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7C)ccc6Cl)cc5)no4)C3C2=O)cc1,WMFCGTPMBKPRJJ-UHFFFAOYSA-N
-rxn:4:221982:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,DMNNHDCCJNRAIL-UHFFFAOYSA-N
-rxn:4:221982:224613,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N(C)C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,RNYMUQFGGRXJFB-UHFFFAOYSA-N
-rxn:4:221982:224965,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC7CCOCC7)c6)cc5)no4)C3C2=O)cc1,LKLOPWXEIZAXKQ-UHFFFAOYSA-N
-rxn:4:221982:225221,CC1CCCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)c(F)cn2)C1,UDOXZFGYHGBEQK-UHFFFAOYSA-N
-rxn:4:221982:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,FTNJABINKIGKLT-UHFFFAOYSA-N
-rxn:4:221982:225748,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccncc6OCC6CCCO6)cc5)no4)C3C2=O)cc1,SCRKJMOEIFCGBQ-UHFFFAOYSA-N
-rxn:4:221982:225806,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCCC7)cc6F)cc5)no4)C3C2=O)cc1,WHGFINDBESTOEB-UHFFFAOYSA-N
-rxn:4:221982:225809,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6OC6CCOC6)cc5)no4)C3C2=O)cc1,OLSBPPYPJVRMRN-UHFFFAOYSA-N
-rxn:4:221982:225987,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCS7(=O)=O)cc6)cc5)no4)C3C2=O)cc1,SOURNJULDNCDOH-UHFFFAOYSA-N
-rxn:4:221982:226113,CC(C)CC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,FODOLQRTONPNHA-UHFFFAOYSA-N
-rxn:4:221982:226337,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)cc(C#N)c6Cl)cc5)no4)C3C2=O)cc1,LPQZEMOFVZBXGM-UHFFFAOYSA-N
-rxn:4:221982:226340,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)cc(C7CC7)c6Cl)cc5)no4)C3C2=O)cc1,NGWFNVHXQRPHGP-UHFFFAOYSA-N
-rxn:4:221982:226342,COC(=O)c1c(C)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1C,DWWNROJYPVBGEY-UHFFFAOYSA-N
-rxn:4:221982:226665,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCCOC7)nc6)cc5)no4)C3C2=O)cc1,IRCHKHKQEHJXGJ-UHFFFAOYSA-N
-rxn:4:221982:226894,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)c(F)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,HINXMHNMINSZQE-UHFFFAOYSA-N
-rxn:4:222008:223787,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1C,GQLGAERPNCDRIX-UHFFFAOYSA-N
-rxn:4:222029:225145,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(N4CCOCC4)c(C#N)c3)CC2)n1,FCHCZLUEAHEMOW-UHFFFAOYSA-N
-rxn:4:222044:224391,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)cc4)CC3)nn2)n1,BRFLVIOKLRMEGU-UHFFFAOYSA-N
-rxn:4:222056:223001,CC(C)(C)c1cc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4F)cn3)CC2)nc(C2CC2)n1,MDVWSLZVLJHLOZ-UHFFFAOYSA-N
-rxn:4:222062:222528,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCc5ccccc5)cc4)cc3)CC2)n1,BGOGMMGAGBAKRC-UHFFFAOYSA-N
-rxn:4:222062:222760,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4)cc3)CC2)n1,JTCNNASXXIQDRG-UHFFFAOYSA-N
-rxn:4:222062:222765,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)Nc5ccccn5)c4)cc3)CC2)n1,PPGXRONNJJIBCU-UHFFFAOYSA-N
-rxn:4:222062:223122,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C(C)C)c4)cc3)CC2)n1,BGGSWCMZXKXNKD-UHFFFAOYSA-N
-rxn:4:222062:223253,CCCCNc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,ASPCFDURFJBGIW-UHFFFAOYSA-N
-rxn:4:222062:223312,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CNC5)cc4)cc3)CC2)n1,GLRPFWOAETVRFQ-UHFFFAOYSA-N
-rxn:4:222062:223593,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,PQGNVGGEBJUBPU-UHFFFAOYSA-N
-rxn:4:222062:223909,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OCc5ccccc5)c(F)c4)cc3)CC2)n1,IQSZFPXFJNFDBY-UHFFFAOYSA-N
-rxn:4:222062:224065,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(N5CCC(C)CC5)c4)cc3)CC2)n1,FHFIROFTOFWGQM-UHFFFAOYSA-N
-rxn:4:222062:224076,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,SDLMLSXOHKXHPN-UHFFFAOYSA-N
-rxn:4:222062:224253,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCCCC5C)c4)cc3)CC2)n1,XOEXOTFVNNDYBP-UHFFFAOYSA-N
-rxn:4:222062:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)cc2)CC1,VWNDZOPOYOVMME-OGESRWMOSA-N
-rxn:4:222062:227059,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C(C)C,SSLALOXNKBDKCX-UHFFFAOYSA-N
-rxn:4:222062:227385,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(C)(C)C)nc4C)cc3)CC2)n1,PWSIJSNMZPIRQQ-UHFFFAOYSA-N
-rxn:4:222062:228128,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C#N,PSPJSLPYKIDXQG-UHFFFAOYSA-N
-rxn:4:222062:228233,CC(=O)c1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,FNUQPULLTWEYLG-UHFFFAOYSA-N
-rxn:4:222062:229166,CC(=O)n1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,UDFJUYOPAAQIKR-UHFFFAOYSA-N
-rxn:4:222089:222537,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ABGFDECNEWIBHF-UHFFFAOYSA-N
-rxn:4:222089:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,BBRIZRJBUPYRRM-UHFFFAOYSA-N
-rxn:4:222089:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F,HERRJTVIMGOXSN-UHFFFAOYSA-N
-rxn:4:222089:222700,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CCNZDCWJHCPFAF-UHFFFAOYSA-N
-rxn:4:222089:223563,COc1cc(COc2c(C)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2C)cc(OC)c1,TVMJINWBEGXYEU-UHFFFAOYSA-N
-rxn:4:222089:223606,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CNZUQLAABKNCBC-UHFFFAOYSA-N
-rxn:4:222089:224247,CC1CCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,IMTPXLPCCZQVQS-UHFFFAOYSA-N
-rxn:4:222089:224355,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCC7(CC6)OCCO7)nc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,ONBXENNPWNIYNT-UHFFFAOYSA-N
-rxn:4:222089:224686,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1)N1CCCCC1,FNAUPVHVMFWJOG-UHFFFAOYSA-N
-rxn:4:222089:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,IDQZIJNCHAQFHX-UHFFFAOYSA-N
-rxn:4:222089:224962,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccccc5COC5CCOCC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,MAYKWGIMUIMWHP-UHFFFAOYSA-N
-rxn:4:222089:224963,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(COC6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LUWKWOPTYWGFOC-UHFFFAOYSA-N
-rxn:4:222089:224971,CN1CCN(Cc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CC1,YPISTGGEKRZUJR-UHFFFAOYSA-N
-rxn:4:222089:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,WZDCHXHRJUKWPH-UHFFFAOYSA-N
-rxn:4:222089:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c2)CC1,SLBUVHKTHWOTHB-UHFFFAOYSA-N
-rxn:4:222089:225170,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(F)ccc5CN5CCOCC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LCEYVMFJWRAOMC-UHFFFAOYSA-N
-rxn:4:222089:225187,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(Cl)ccc5CN5CCOCC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KDGVKTNVNWHVFN-UHFFFAOYSA-N
-rxn:4:222089:225202,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(C6CCC6)cc(C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KQJPIYMKIVHLCJ-UHFFFAOYSA-N
-rxn:4:222089:225281,CC(C)(C)OC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(Cl)n1,WUGKGWKVOGIUGL-UHFFFAOYSA-N
-rxn:4:222096:222573,Cn1c(N2CCC(COc3ncc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)cn3)CC2)nc2cccnc21,UTSMZIVGFKDDDH-UHFFFAOYSA-N
-rxn:4:222102:222588,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1,OPVCEIMPEUUWFC-UHFFFAOYSA-N
-rxn:4:222102:223586,COc1ccc(COc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)cc(C(F)(F)F)c2)cc1,FNPYNCXTLRHOBY-UHFFFAOYSA-N
-rxn:4:222102:223593,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,NYJUARQBCFFWDA-UHFFFAOYSA-N
-rxn:4:222102:223892,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1,CLTSFBJXCVERKS-UHFFFAOYSA-N
-rxn:4:222102:223927,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7cccnc7n6COCC[Si](C)(C)C)cc5)no4)C3C2=O)cc1,HPHANOZMZGOLKH-UHFFFAOYSA-N
-rxn:4:222102:224169,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1,UKNNVWSUBSNCBE-UHFFFAOYSA-N
-rxn:4:222102:224312,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1,SEBYNDIODYALRE-UHFFFAOYSA-N
-rxn:4:222102:224729,COc1nccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)c1C(=O)OC(C)(C)C,BLGLJDTUVXQCGE-UHFFFAOYSA-N
-rxn:4:222102:225285,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(CC(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,LNFIANHIPUJSRV-UHFFFAOYSA-N
-rxn:4:222108:222853,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1F,NNYJOWIYATYKLT-UHFFFAOYSA-N
-rxn:4:222108:223003,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)c(C7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,NTKKAKYLUOLVPG-UHFFFAOYSA-N
-rxn:4:222108:224953,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCCCC7)nc6)cc5)no4)C3C2=O)cc1F,CMPAKVWODFZIFR-UHFFFAOYSA-N
-rxn:4:222108:224973,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,YKGXZERYZXPLPW-UHFFFAOYSA-N
-rxn:4:222108:225390,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(CC(C)C)cc(C7CC7)c6)cc5)no4)C3C2=O)cc1F,NMGDGBFYQJGGLY-UHFFFAOYSA-N
-rxn:4:222108:225617,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCCCO7)cc6)cc5)no4)C3C2=O)cc1F,POXGCHXBRVCCHV-UHFFFAOYSA-N
-rxn:4:222108:225760,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,OHFJJWSDXMIAMP-UHFFFAOYSA-N
-rxn:4:222120:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,GBRZZENNCLUWML-UHFFFAOYSA-N
-rxn:4:222120:222775,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1C,JECQLHFVKSLTRS-UHFFFAOYSA-N
-rxn:4:222120:222959,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)c(C)c6)cc5)no4)C3C2=O)cc1C,DCPKZKPXOXGJIO-UHFFFAOYSA-N
-rxn:4:222120:222960,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCNCC2)c1,LPAUBBBPHKTCHL-UHFFFAOYSA-N
-rxn:4:222120:223684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1C,ZQEJNVKEVDBVER-UHFFFAOYSA-N
-rxn:4:222120:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(F)cc1C,VXGOJDMTTZVMQH-UHFFFAOYSA-N
-rxn:4:222120:224691,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CC8(COC8)C7)cc6)cc5)no4)C3C2=O)cc1C,LTPISJYSNISXNP-UHFFFAOYSA-N
-rxn:4:222120:225358,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C(F)(F)F)c1,QDVWBRHQTGMTIQ-UHFFFAOYSA-N
-rxn:4:222120:225384,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1C,DNTMBPIGXIGYMH-UHFFFAOYSA-N
-rxn:4:222120:225515,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc7c6OCC(C)(C)CO7)cc5)no4)C3C2=O)cc1C,INKVGFNQVHDOQV-UHFFFAOYSA-N
-rxn:4:222120:225761,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CC(C)C)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1C,XWDYKOJXBNAPQI-UHFFFAOYSA-N
-rxn:4:222120:226000,CC(=O)Oc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1[N+](=O)[O-],WXWFQVALTVDFEJ-UHFFFAOYSA-N
-rxn:4:222136:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCN(CC)CC4)c4ccccc45)cc3)ccc2F)CC1,UYRZDNSZSOZNPC-UHFFFAOYSA-N
-rxn:4:222136:224746,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C(C)=O)CC6)nc5)cc4)nnn3c3ccccc23)CC1,LYMNKRCXCSYUQU-UHFFFAOYSA-N
-rxn:4:222140:223840,COc1ccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCN(c5ccc(F)cc5)CC3)c3ccccc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UPGCHXLIGNGIFI-UHFFFAOYSA-N
-rxn:4:222151:222389,COc1cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)ncn1,KRFRBQRYJAXQCC-UHFFFAOYSA-N
-rxn:4:222156:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)ccc21,AXSCVKBGLWGZJA-UHFFFAOYSA-N
-rxn:4:222166:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)ncn5)CC4)nc3)cc2F)CC1,SGJDABYRVSSHJG-UHFFFAOYSA-N
-rxn:4:222195:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cn1,QCFSEYYGHWPNTC-UHFFFAOYSA-N
-rxn:4:222229:222537,c1nc2c(c(N3CCN(c4ncc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cn4)CC3)n1)CCCC2,JITODAZRJSYLBX-UHFFFAOYSA-N
-rxn:4:222229:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c(F)c2)CC1,WEHLRHAXQJWFLZ-UHFFFAOYSA-N
-rxn:4:222249:224612,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCN7CCOCC7)cc6)o5)CC4)ncnc32)cc1,YWTMQEGUAOMTFG-UHFFFAOYSA-N
-rxn:4:222252:223753,CSc1ncc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,ROGHNBLXIDTLLA-UHFFFAOYSA-N
-rxn:4:222332:222890,COc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,YBALCODIJJOUNR-UHFFFAOYSA-N
-rxn:4:222333:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)cn2)CC1,CIFLETNTRYUEAF-UHFFFAOYSA-N
-rxn:4:222334:223592,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)CC2)n1,GMXCTBYXNNACGB-UHFFFAOYSA-N
-rxn:4:222335:225048,Cc1cc(N2CCN(c3ncc(-c4ccc(N5CCN(C)CC5)cc4C)cn3)CC2)nc(N2CCCC2)n1,IQGJFJKXHLIFFT-UHFFFAOYSA-N
-rxn:4:222337:222742,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)n1,SLMWNPYIYQCPGE-UHFFFAOYSA-N
-rxn:4:222338:223533,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1,RTNRYHUDNZYKNJ-UHFFFAOYSA-N
-rxn:4:222351:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)cc2)CC1,XJXYOGLGQCVEDP-UHFFFAOYSA-N
-rxn:4:222380:222634,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCNC7CCCC7)c(F)c6)cn5)CC4C3)ncnc21,HUXOAKBXZFVYBM-UHFFFAOYSA-N
-rxn:4:222380:223481,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCC(O[Si](C)(C)C(C)(C)C)CC7)cc6F)cn5)CC4C3)ncnc21,LCRQYGXVOFPMEJ-UHFFFAOYSA-N
-rxn:4:222380:223525,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CC4C3)ncnc21,SVGUILACLOKSQB-UHFFFAOYSA-N
-rxn:4:222380:223579,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7C)cc6)cn5)CC4C3)ncnc21,BNDDMBYYXIRBIN-UHFFFAOYSA-N
-rxn:4:222380:223828,CCN1CCN(c2cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc(C(F)(F)F)c2)CC1,DTOCGNKNVGOSMM-UHFFFAOYSA-N
-rxn:4:222382:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCN(c4ccc5nncn5n4)CC3)nc2)CC1,UQLXNBMFZXYLHC-UHFFFAOYSA-N
-rxn:4:222543:187286,Cc1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c(C(=O)N(C(C)C)C(C)C)c1,DOUJCOPPHHDGCU-UHFFFAOYSA-N
-rxn:4:222611:188006,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,HKINUWJVZWGGNS-UHFFFAOYSA-N
-rxn:4:222612:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1OC,RKEDZWRAVFDELV-UHFFFAOYSA-N
-rxn:4:222630:214791,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,BGUXVTXFILUGDJ-UHFFFAOYSA-N
-rxn:4:222682:204508,COc1cccc(-c2ccnc3c2CCN3C(=O)OC(C)(C)C)c1NC(=O)OC(C)(C)C,SPWOTMBONDVANH-UHFFFAOYSA-N
-rxn:4:222701:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,CHPNMUIVJJIFRH-UHFFFAOYSA-N
-rxn:4:222712:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)cc1OC,QRWFDQHABWOXHM-UHFFFAOYSA-N
-rxn:4:222722:218914,Cc1nc(CN2CCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)CC2)cs1,KEOBQPVPDXBSNQ-UHFFFAOYSA-N
-rxn:4:222723:214654,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,ZZQSJMVXQSDPGJ-UHFFFAOYSA-N
-rxn:4:222811:219959,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc(Cl)n1,ILKOYLGUHZZJFR-UHFFFAOYSA-N
-rxn:4:222820:204894,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)cc1F,FHCSLYIBGJTKAD-UHFFFAOYSA-N
-rxn:4:222881:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(=O)NC(C)(C)C)cc1F,HBSFFAASMBXRDC-UHFFFAOYSA-N
-rxn:4:222940:186907,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2C(F)(F)F)c1,LGFJVAWUVBISBR-KBKYJPHKSA-N
-rxn:4:223040:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC5CC5)c(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WOZVOOYZXUGKBW-UHFFFAOYSA-N
-rxn:4:223071:204100,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCCN(C4CCC4)CC3)c2)cc1,CCTWUWZFGCXMOO-UHFFFAOYSA-N
-rxn:4:223581:176182,COC(=O)c1cccc2cc(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n(C(=O)OC(C)(C)C)c12,UCZGHGRVOAJCDX-UHFFFAOYSA-N
-rxn:4:223581:187826,COC(=O)c1cc(-c2cc3cccc(C(=O)OC)c3n2C(=O)OC(C)(C)C)cc2c1ccn2CC1CCC1,HLCVJGAFWXKCJZ-UHFFFAOYSA-N
-rxn:4:223840:206714,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTXLJPIJYVKLRM-UHFFFAOYSA-N
-rxn:4:223980:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1,NWJLBBQTSWALMX-UHFFFAOYSA-N
-rxn:5:177177:223018:225507,COC(=O)Cc1cc(C)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1-c1ccc2c(c1)CCC2C(=O)OC,SEJSXLSGTWCMOY-UHFFFAOYSA-N
-rxn:5:177180:225639:223062,CCOC(=O)c1c(C)cc(-c2cccnc2N2CCC(C)CC2)cc1-c1cnc(C2CCNCC2)cc1F,IVWITJIRDMJZEQ-UHFFFAOYSA-N
-rxn:5:177184:223065:226426,CCOC(=O)c1c(-c2ccc(N3CCC(C)CC3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,KGMGGBHIZOAKAY-UHFFFAOYSA-N
-rxn:5:177185:223001:226662,CC(C)OC(=O)c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,TZNLTVCBJUBDIF-UHFFFAOYSA-N
-rxn:5:177185:223062:225982,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cnc(N2CCOCC2)cc1F,SWQLXRJMECOSSJ-UHFFFAOYSA-N
-rxn:5:177189:223061:225784,CCOC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(C)c1-c1ccc(CN2CCOCC2)nc1,NYZKQYXNCAJMMY-UHFFFAOYSA-N
-rxn:5:177190:222990:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,IWSVCIHYKVRNTM-UHFFFAOYSA-N
-rxn:5:177190:222991:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC(O)C3)cc2)c1,GOPOLXHYNRIGDZ-UHFFFAOYSA-N
-rxn:5:177190:222993:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3O)c2)c1,AQGSMLVTESMMDB-UHFFFAOYSA-N
-rxn:5:177190:222994:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc(N3CCC(O)CC3)c2)c1,BSLUFZNNONBJBT-UHFFFAOYSA-N
-rxn:5:177190:223054:227656,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,NNBKVNKFXOTQPL-UHFFFAOYSA-N
-rxn:5:177190:223056:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,BGMDBCGSHVRVJP-UHFFFAOYSA-N
-rxn:5:177190:225462:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCC(C)CC3)c2)c1,LWOHQVDLAGTXGN-UHFFFAOYSA-N
-rxn:5:177190:225462:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,GSCOOGAVWDHPAK-UHFFFAOYSA-N
-rxn:5:177190:225470:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(C)CC3)cc2)c1,QVCLXEPTGVQYRC-UHFFFAOYSA-N
-rxn:5:177190:225607:223147,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CNCCO3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,VMXWVOJCJWUEFN-UHFFFAOYSA-N
-rxn:5:177190:225633:222991,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,AENMQIZXXFWUGB-UHFFFAOYSA-N
-rxn:5:177190:225636:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,YYXSOQLKPYCUQP-UHFFFAOYSA-N
-rxn:5:177190:225655:225466,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,AUAGYFPHZMZMFN-UHFFFAOYSA-N
-rxn:5:177190:225655:225470,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,KSZQZRDLJSMAGT-UHFFFAOYSA-N
-rxn:5:177190:225805:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,NWJHGWPZJZCKIR-UHFFFAOYSA-N
-rxn:5:177190:225805:226425,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,NHXMQQDMBANCQG-UHFFFAOYSA-N
-rxn:5:177190:225831:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(N3CCOCC3)c(C)c2)c1,ONDZAZYVFABIAE-UHFFFAOYSA-N
-rxn:5:177190:226426:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(C)CC3)s2)c1,PYTSDEJUUQHLLN-UHFFFAOYSA-N
-rxn:5:177190:226649:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cccnc2N2CCOCC2)c1,FQHAQWOQXHUNBV-UHFFFAOYSA-N
-rxn:5:177191:223000:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCCNC5)c(F)c4)c3)c2F)CCC1,QXHVLWMFAVMIQJ-UHFFFAOYSA-N
-rxn:5:177191:225603:222996,N#CC1(c2cccc(-c3cc(-c4ccc(F)cc4C4CCCNC4)ccc3CC(=O)C3CC3)c2F)CCC1,JCKCCAOBVJNUCN-UHFFFAOYSA-N
-rxn:5:177192:222987:225926,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(C3CCNCC3)nc2C)c1C,ZQMFKEGZBXVRNS-UHFFFAOYSA-N
-rxn:5:177373:223138:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(OCC2OCCO2)c(-c2ccnc(C3CCNCC3)c2)c1,VBQRZDFJTLJGPX-UHFFFAOYSA-N
-rxn:5:177373:227803:226429,CC1CCCN(c2ccc(-c3ccc(OCC4OCCO4)c(-c4ccnn4S(=O)(=O)N(C)C)c3)s2)C1,GCTIXNAUAOZMLT-UHFFFAOYSA-N
-rxn:5:177729:223133:223065,CC(C)(C)OC(=O)c1ccc(-c2ccccc2N2CCNCC2)cc1-c1ccc(N2CCNCC2)cc1F,JRGVGTFTXVVORQ-UHFFFAOYSA-N
-rxn:5:177730:225976:226330,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,MJHNHTKEWWLXQX-UHFFFAOYSA-N
-rxn:5:177731:223018:226140,COc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,BMPZFWCSXJCVLG-UHFFFAOYSA-N
-rxn:5:177731:226322:225871,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1C(=O)OC(C)(C)C,DKACRMXVPXLSPS-UHFFFAOYSA-N
-rxn:5:177732:225438:226658,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCCC3)nc2F)cc1)N1CCCC1,FGVDDOXQMBWHNO-UHFFFAOYSA-N
-rxn:5:177733:225438:223062,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCNCC4)cc3F)c2)cc1)N1CCCC1,HZFUNORQBXTPSL-UHFFFAOYSA-N
-rxn:5:177736:223054:223132,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccc(N3CCNCC3)c2)s1)N1CCC(O)C1,VRJVBOILJAQTSG-UHFFFAOYSA-N
-rxn:5:177736:223064:225439,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2F)c1)N1CCCC1,FSBVXYPFTABUKR-UHFFFAOYSA-N
-rxn:5:177736:223133:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccccc2N2CCNCC2)cc1)N1CCCC1,RUKSIQQBXCNIRM-UHFFFAOYSA-N
-rxn:5:177738:223054:223113,COc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1OC1CCC1,BQOIHCKNQKJQQW-UHFFFAOYSA-N
-rxn:5:177739:223133:225438,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccccc2N2CCNCC2)cc1)N1CCCC1,JCOHHYNXKOMXDD-UHFFFAOYSA-N
-rxn:5:177739:225439:223064,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C3CCNCC3)nc2F)c1)N1CCCC1,UHIHVMGVLDVCBM-UHFFFAOYSA-N
-rxn:5:177850:222981:227299,CCOc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1cc(F)cc(CN(C)C)c1,ZDPNKYGRYAXTRW-UHFFFAOYSA-N
-rxn:5:177850:223294:226734,CCOc1ccc(-c2csc(N3CCNCC3)n2)c(C2OCCO2)c1-c1cccc(S(=O)(=O)N(C)C)c1,BWBJCQVTUPPABI-UHFFFAOYSA-N
-rxn:5:177851:222956:227045,CCOc1c(-c2cccc(SC(C)(C)C)c2)cc(C2OCCO2)cc1-c1ccc(C)cc1C1CCCNC1,KKWXCUHYNIWMKO-UHFFFAOYSA-N
-rxn:5:177891:223146:227093,O=C(SC1CS(=O)(=O)CC1c1cccnc1C1CCCC1)c1ccccc1-c1cccc(C2CNCCO2)c1,QYIXDUFXBWRQJR-UHFFFAOYSA-N
-rxn:5:177891:223147:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccc(C2CNCCO2)cc1,HGMUPZVGYDYHMF-UHFFFAOYSA-N
-rxn:5:177891:223149:225805,CCOc1cc2cn[nH]c2cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(C(C)N2CCOCC2)s1,OZTAHTAGIPTSTB-UHFFFAOYSA-N
-rxn:5:177891:223285:226447,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1,GPPNSYYTYCKGCF-UHFFFAOYSA-N
-rxn:5:177891:223378:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc3c(c2)NCCO3)s1)N1CCOCC1,FSZHZSSBLCCAOV-UHFFFAOYSA-N
-rxn:5:177891:225798:228002,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCC1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,BJBKUKSYYLSAGQ-UHFFFAOYSA-N
-rxn:5:177891:225799:228794,C[Si](C)(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(OC3CCOCC3)c2)s1,RBQUJRUJBCQGDX-UHFFFAOYSA-N
-rxn:5:177891:225803:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,DMLXSESWFITPMV-UHFFFAOYSA-N
-rxn:5:177891:226330:227657,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(N3CCOCC3)s2)s1)N1CCCC1,OFTWMZFWDLIGOX-UHFFFAOYSA-N
-rxn:5:177891:226649:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)c1,FEHOUIWANPFUPP-UHFFFAOYSA-N
-rxn:5:177891:226662:223148,CN1CCN(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccccc3C3CNCCO3)s2)CC1,FBGDQNFYNQJXIS-UHFFFAOYSA-N
-rxn:5:177891:226662:227437,CN1CCN(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCCO4)c3)s2)CC1,LYXMHCLCSIWMJZ-UHFFFAOYSA-N
-rxn:5:177891:227103:227452,O=C(SC1CS(=O)(=O)CC1c1cccc(C2OCCO2)c1)c1ccccc1-c1sccc1C1CCCCC1,DSOPNMLGRQABKQ-UHFFFAOYSA-N
-rxn:5:177891:227403:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1ccc(N2CCCCC2)s1,CPFVPNOZLNCNNN-UHFFFAOYSA-N
-rxn:5:177891:227437:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCCO2)c1,WMFIBKKTMPVFTD-UHFFFAOYSA-N
-rxn:5:177891:227437:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1ccnc(C2CCCO2)c1,JUZISVZYSVTZSW-UHFFFAOYSA-N
-rxn:5:177891:227449:223186,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCCCO2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,WANDVXXANFNQLE-UHFFFAOYSA-N
-rxn:5:177891:227449:226644,O=C(SC1CS(=O)(=O)CC1c1cncc(N2CCOCC2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,JKAHHQLESMQCIB-UHFFFAOYSA-N
-rxn:5:177891:227613:223132,O=C(SC1CS(=O)(=O)CC1c1cccc(N2CCNCC2)c1)c1ccccc1-c1cnn(C2CCOCC2)c1,VDUSFWCRLXUNGY-UHFFFAOYSA-N
-rxn:5:177891:227656:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,HNSFVFWOUXPGHN-UHFFFAOYSA-N
-rxn:5:177891:227656:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,MPIOBZTUYQSWGZ-UHFFFAOYSA-N
-rxn:5:177891:227657:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccc(N2CCOCC2)s1,SACSUIOECPDHSG-UHFFFAOYSA-N
-rxn:5:177891:228211:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1cc(N2CCCC2)cs1,RGCUVBNFTPCDRH-UHFFFAOYSA-N
-rxn:5:177891:228878:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cnn(C2COC2)c1,DQWRSRVUDPTLIF-UHFFFAOYSA-N
-rxn:5:177970:222998:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2)c([N+](=O)[O-])s1,PIQFNIJRWFJCSJ-UHFFFAOYSA-N
-rxn:5:178118:225937:227709,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(-c2cccc(OC(F)(F)F)c2)cc1OCC1CCCCO1,PWJNCMKFJWXAPS-UHFFFAOYSA-N
-rxn:5:178119:225976:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(C2(O)COC2)nc1,ZLGFLZCQACILPO-UHFFFAOYSA-N
-rxn:5:178122:225874:225929,Cc1cc(-c2cc(-c3ccc(F)c(N4CCOCC4)c3)ccc2COC2CCCCO2)ccc1S(=O)(=O)N(C)C,WUJFSKOSCOWTFQ-UHFFFAOYSA-N
-rxn:5:178122:226191:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCC4)ccc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,QZKRDQJFFDHMHD-UHFFFAOYSA-N
-rxn:5:178122:227507:222958,Cc1ccc(-c2cc(-c3cccc(C=C[N+](=O)[O-])c3)ccc2COC2CCCCO2)cc1C1CCNCC1,LYOXQUKYFUIDAX-UHFFFAOYSA-N
-rxn:5:178295:223192:228431,CNS(=O)(=O)c1cc(-c2ccc(-c3cc(F)cc(F)c3SC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,ZSSKPOALHJOPCV-UHFFFAOYSA-N
-rxn:5:178295:223270:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,KNWVEHKPBAABAK-UHFFFAOYSA-N
-rxn:5:178295:223270:228269,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3F)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,XJBBOCAFZCPTQY-UHFFFAOYSA-N
-rxn:5:178295:223271:227946,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3)ccc2-c2ccc(F)c(NC(C)=O)c2)CCC(=O)CC1,PDHNQGAXHJLMMX-UHFFFAOYSA-N
-rxn:5:178295:223285:223113,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,WGMATWMPCRWMMN-UHFFFAOYSA-N
-rxn:5:178295:225436:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KFXHIQAMYDOJNB-UHFFFAOYSA-N
-rxn:5:178295:225440:227909,CCC(C)c1cc(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,FNVSQRLVVRMAOI-UHFFFAOYSA-N
-rxn:5:178295:225506:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc3c(cnn3CC(C)C)c2)CCC(=O)CC1,FYKRKARBAABZAN-UHFFFAOYSA-N
-rxn:5:178295:225580:225453,CCn1cc(-c2cccc(-c3ccc(-c4cccc(SC5CCCCC5)c4)cc3C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZAXDEPAKWDEZCB-UHFFFAOYSA-N
-rxn:5:178295:226059:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,KZIVXIAFNPTAAY-UHFFFAOYSA-N
-rxn:5:178295:226084:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,IUUGQMVVZCZFSL-UHFFFAOYSA-N
-rxn:5:178295:226129:227312,CCC(C)c1ccc(-c2ccc(-c3cccc(CN4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PNQKLVDOPAUTQA-UHFFFAOYSA-N
-rxn:5:178295:226140:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,ZLHIHNJVMKNMFM-UHFFFAOYSA-N
-rxn:5:178295:226140:228519,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,NQWNTQBGLOGRQH-UHFFFAOYSA-N
-rxn:5:178295:226140:229088,COC(=O)C1(c2cc(-c3cc(C(C)=O)cs3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,JKPVIKCFEDKAIB-UHFFFAOYSA-N
-rxn:5:178295:226149:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccc(OC)c(C(C)(C)C)c2)CCC(=O)CC1,YKCUPTATSDOULI-UHFFFAOYSA-N
-rxn:5:178295:226151:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2cc(C)c(C)cc2OC(C)C)CCC(=O)CC1,FNWGRBMMGUHXJH-UHFFFAOYSA-N
-rxn:5:178295:226322:228144,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,GVWDYAZLMSTGDD-UHFFFAOYSA-N
-rxn:5:178295:226345:228547,CCCc1ccncc1-c1ccc(-c2cc(C(=O)OC)c(C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,YVFXPJIHQCCNRG-UHFFFAOYSA-N
-rxn:5:178295:226580:225418,CCOc1ccc2cc(-c3ccc(-c4cc(C(=O)N(C)C)ccc4F)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2c1,OAVOUELMASLIDZ-UHFFFAOYSA-N
-rxn:5:178295:226589:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,YZGDEHWHQLUCQU-UHFFFAOYSA-N
-rxn:5:178295:226769:228606,CCc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BTBPWXPHVKTWPB-UHFFFAOYSA-N
-rxn:5:178295:226783:228504,COC(=O)C1(c2cc(-c3cccc4c3CCC4)ccc2-c2c(OC)cc(F)c(F)c2OC)CCC(=O)CC1,FASSDSJUOANQJQ-UHFFFAOYSA-N
-rxn:5:178295:226910:228317,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,RYGMZFWPYFCTBA-UHFFFAOYSA-N
-rxn:5:178295:226913:226959,CCc1cc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,VBUPSTBSTFFIBE-UHFFFAOYSA-N
-rxn:5:178295:226914:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,OHFYWYVNBDDSSW-UHFFFAOYSA-N
-rxn:5:178295:226914:227923,CCOc1ccc(C)cc1-c1ccc(-c2ccc(CC(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,BBMGEZPPEAJJOC-UHFFFAOYSA-N
-rxn:5:178295:226918:227935,CCc1cc(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,WTJBQZBZWDNFQT-UHFFFAOYSA-N
-rxn:5:178295:226920:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WYUSYKVIAGEWTQ-UHFFFAOYSA-N
-rxn:5:178295:226959:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,UIGQNFDGQDKAAV-UHFFFAOYSA-N
-rxn:5:178295:226966:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,YUTHVVFSCWEDID-UHFFFAOYSA-N
-rxn:5:178295:226969:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,QIOFRNYHXCDEMJ-UHFFFAOYSA-N
-rxn:5:178295:227018:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RLHFRJNACAQYTE-UHFFFAOYSA-N
-rxn:5:178295:227038:227832,COC(=O)C1(c2cc(-c3ccc(C4CC4)cc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,HZKCESQTYHPIAM-UHFFFAOYSA-N
-rxn:5:178295:227039:227942,CCc1ccc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,DXVVXNFDBIDXIS-UHFFFAOYSA-N
-rxn:5:178295:227043:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SKHRYDPWXVLYJU-UHFFFAOYSA-N
-rxn:5:178295:227045:228320,COC(=O)c1cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,GGXOQCIRZDDWGK-UHFFFAOYSA-N
-rxn:5:178295:227048:228707,COC(=O)C1(c2cc(-c3cnn(C(C)(C)C)c3)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,BBXGBOFRVDNOKQ-UHFFFAOYSA-N
-rxn:5:178295:227051:228158,CCOc1cc(F)cc(-c2ccc(-c3ccc(C(=O)CC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BADBTWXWJOLDHE-UHFFFAOYSA-N
-rxn:5:178295:227052:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,HVSHHEOTFHEWTA-UHFFFAOYSA-N
-rxn:5:178295:227065:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,BNLCWKCKVWQBTB-UHFFFAOYSA-N
-rxn:5:178295:227065:227307,COC(=O)C1(c2cc(-c3ccc(C)nc3OC(C)C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,ONFWMXYRCDJKQB-UHFFFAOYSA-N
-rxn:5:178295:227065:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,VAUCHTIBPJHLHG-UHFFFAOYSA-N
-rxn:5:178295:227068:227942,CCc1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,YYXTYTZCWRVKJT-UHFFFAOYSA-N
-rxn:5:178295:227069:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,DEBKWHMMSGINJK-UHFFFAOYSA-N
-rxn:5:178295:227071:226920,COCc1cc(C)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,RPYGRQMCEJTHMB-UHFFFAOYSA-N
-rxn:5:178295:227075:226150,COC(=O)C1(c2cc(-c3cccc(SC4CCCC4)c3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,STPYPDBPBRUBRD-UHFFFAOYSA-N
-rxn:5:178295:227075:228400,COC(=O)C1(c2cc(-c3ccc(F)c(F)c3OC)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,SGXBNJCTCBRUAA-UHFFFAOYSA-N
-rxn:5:178295:227076:228144,CCCc1ccc(-c2ccc(-c3cc(C(C)CC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,GRAPAZDTSZTPME-UHFFFAOYSA-N
-rxn:5:178295:227102:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2cc(C(C)(C)C)ccc2F)CCC(=O)CC1,GDLYDGZYOAZMEB-UHFFFAOYSA-N
-rxn:5:178295:227108:227941,COCc1cc(C)cc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KUNVBCWJHYTOQJ-UHFFFAOYSA-N
-rxn:5:178295:227124:223357,COC(=O)C1(c2cc(-c3ccccc3NC(C)=O)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,MZORYZPWAPWBIT-UHFFFAOYSA-N
-rxn:5:178295:227183:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc3c(c2)CN(C)C3=O)CCC(=O)CC1,XULUHJWTVYJXKU-UHFFFAOYSA-N
-rxn:5:178295:227206:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,VQLHNTKLGPWIIR-UHFFFAOYSA-N
-rxn:5:178295:227207:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,ZUWFUSUKSBVOOD-UHFFFAOYSA-N
-rxn:5:178295:227209:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,UXSMCROTYMYSFY-UHFFFAOYSA-N
-rxn:5:178295:227287:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,WKTMELQDSTZQRU-UHFFFAOYSA-N
-rxn:5:178295:227309:227705,CCC(C)c1cc(-c2ccc(-c3cnc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,FQXHCCWIPSGFRP-UHFFFAOYSA-N
-rxn:5:178295:227309:227983,CCC(C)c1cc(-c2ccc(-c3ccccc3[Si](C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,ZYNDLFXHSLCDFF-UHFFFAOYSA-N
-rxn:5:178295:227311:226973,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,YEAAJNVGRNEVPC-UHFFFAOYSA-N
-rxn:5:178295:227312:226916,CCC(C)c1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,HXLSKKMXAQIPAT-UHFFFAOYSA-N
-rxn:5:178295:227319:227818,CCC(C)c1cccc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HDWNSXMACLDCMH-UHFFFAOYSA-N
-rxn:5:178295:227353:227977,COC(=O)C1(c2cc(-c3cc(C)c(OC)cc3C)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,RBIZJCPNQJOJGP-UHFFFAOYSA-N
-rxn:5:178295:227515:227935,CCc1cc(-c2ccc(-c3cc(OC(C)C)cnc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,NVBVUTBRCAGCHX-UHFFFAOYSA-N
-rxn:5:178295:227525:227061,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(OC(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,ARKSBEDJCXKQNZ-UHFFFAOYSA-N
-rxn:5:178295:227525:228562,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(C)CC)cs2)cc1C1(C(=O)OC)CCC(=O)CC1,UIBLUXZLAUVEKQ-UHFFFAOYSA-N
-rxn:5:178295:227534:228157,CCOc1cc(F)c(-c2ccc(-c3ccc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,SGNOMHDRFOWAOV-UHFFFAOYSA-N
-rxn:5:178295:227540:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,ORLMFUKHFOSOSB-UHFFFAOYSA-N
-rxn:5:178295:227568:228079,COC(=O)C1(c2cc(-c3cccc4c3COC4=O)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,KPGLLXGZDQBUCL-UHFFFAOYSA-N
-rxn:5:178295:227568:228417,COC(=O)C1(c2cc(-c3ccc(F)c(C(F)F)c3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,AVEYPLMLRLVTDZ-UHFFFAOYSA-N
-rxn:5:178295:227591:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,LNUFHLBVOKICPQ-UHFFFAOYSA-N
-rxn:5:178295:227701:223359,CNCc1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,ALKWPRLBSZGHGK-UHFFFAOYSA-N
-rxn:5:178295:227706:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,FOJJGECHRVWZEG-UHFFFAOYSA-N
-rxn:5:178295:227808:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DCKAMOUMWFDGFK-UHFFFAOYSA-N
-rxn:5:178295:227810:226137,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)cnc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,QKIQTGXCBRHRLX-UHFFFAOYSA-N
-rxn:5:178295:227813:226924,CCc1cccc(CC)c1-c1ccc(-c2cc(C)cc(C3CC3)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,DMWWGIDYIDAAQX-UHFFFAOYSA-N
-rxn:5:178295:227815:227297,CCC(C)c1ccccc1-c1ccc(-c2cc(CN(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,OUCQNZCMIKHCST-UHFFFAOYSA-N
-rxn:5:178295:227815:227322,CCC(C)c1ccccc1-c1ccc(-c2cncc(C(C)C)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FVJQBLSQEMRCOB-UHFFFAOYSA-N
-rxn:5:178295:227816:227352,CCCc1ccc(-c2ccc(-c3cc(C)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,DFVLFZXCTPUODH-UHFFFAOYSA-N
-rxn:5:178295:227818:223215,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)NC(=O)CC4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ODRHYQZNVQYFQM-UHFFFAOYSA-N
-rxn:5:178295:227819:227117,CCc1cc(CC)cc(-c2ccc(-c3cc(C4CC4)cc(C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SSKGUXYBDWJYGS-UHFFFAOYSA-N
-rxn:5:178295:227823:227302,COC(=O)C1(c2cc(-c3cnc(OC(C)C)c(C)c3)ccc2-c2ccccc2C(C)(C)C)CCC(=O)CC1,LTGLUPDRUDXELY-UHFFFAOYSA-N
-rxn:5:178295:227828:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cccc(C3CC3)c2C)CCC(=O)CC1,ZIODXKLMWAYPHL-UHFFFAOYSA-N
-rxn:5:178295:227831:227079,CCc1c(C)cc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,AZWJJPBBVSZMMC-UHFFFAOYSA-N
-rxn:5:178295:227832:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc(C3CC3)cc2C)CCC(=O)CC1,YWKYHUPTULIYRV-UHFFFAOYSA-N
-rxn:5:178295:228006:227569,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3OC)ccc2-c2cc(OC)c(C)cc2C)CCC(=O)CC1,RURGCEVVIQECFE-UHFFFAOYSA-N
-rxn:5:178295:228019:227313,CCC(C)c1cc(-c2ccc(-c3cc(C(C)=O)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,UCXQJFRXDALIGZ-UHFFFAOYSA-N
-rxn:5:178295:228078:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,RDGGBCLHRZARKK-UHFFFAOYSA-N
-rxn:5:178295:228079:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,WQEVULSDKCQGAJ-UHFFFAOYSA-N
-rxn:5:178295:228119:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(SC(C)C)nc2)CCC(=O)CC1,XEOZRAHZZWZPTM-UHFFFAOYSA-N
-rxn:5:178295:228156:227106,COC(=O)C1(c2cc(-c3cc(C4CC4)c(C)cc3F)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,HHKUUHKLZZVZDT-UHFFFAOYSA-N
-rxn:5:178295:228177:227068,COCc1ccc(F)cc1-c1ccc(-c2ccc(CC(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,YQVBYGWPTRMQMD-UHFFFAOYSA-N
-rxn:5:178295:228178:227067,COCc1ccc(F)c(-c2ccc(-c3ccc(OC)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZNKMVWQTUPBREB-UHFFFAOYSA-N
-rxn:5:178295:228182:227705,COC(=O)C1(c2cc(-c3cnc(C(F)F)cc3OC)ccc2-c2cccc(CC(F)F)c2)CCC(=O)CC1,CTEKYPQSTXRRJZ-UHFFFAOYSA-N
-rxn:5:178295:228189:227512,CCSc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)ncc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LRGROUVYYDTRON-UHFFFAOYSA-N
-rxn:5:178295:228258:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,JRMDFNBCCLWXER-UHFFFAOYSA-N
-rxn:5:178295:228267:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2c(F)ccc(C)c2OC)CCC(=O)CC1,LQGUEFWAGGXHOY-UHFFFAOYSA-N
-rxn:5:178295:228274:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2cc(SC)c(C)cc2F)CCC(=O)CC1,DBUSETCBNJZUPM-UHFFFAOYSA-N
-rxn:5:178295:228343:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C)c(C(=O)OC)s2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NYIWEYBZSIRBLE-UHFFFAOYSA-N
-rxn:5:178295:228388:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,GWWURWDLVWDUQD-UHFFFAOYSA-N
-rxn:5:178295:228393:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(F)cc(F)c2OC)CCC(=O)CC1,ROXRXXMUOWMVNM-UHFFFAOYSA-N
-rxn:5:178295:228428:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,UVNVPOAFPPLLMY-UHFFFAOYSA-N
-rxn:5:178295:228437:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc(C(F)F)cc2F)CCC(=O)CC1,IPEKBVRPOQVTIY-UHFFFAOYSA-N
-rxn:5:178295:228506:226334,CCCc1ccccc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,GXBCLUVGFFLQCZ-UHFFFAOYSA-N
-rxn:5:178295:228518:226334,CC#Cc1ccc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,QRVAETOANWPPIY-UHFFFAOYSA-N
-rxn:5:178295:228551:226345,CCCc1ncccc1-c1ccc(-c2cc(C(=O)OC)c(C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,SJHGCLXYVDUVLR-UHFFFAOYSA-N
-rxn:5:178295:228551:226772,CCCc1ncccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,PHOJRCZCXWMGMM-UHFFFAOYSA-N
-rxn:5:178295:228562:226345,CCC(C)c1csc(-c2ccc(-c3cc(C(=O)OC)c(C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CEAXYXOYYQESGC-UHFFFAOYSA-N
-rxn:5:178295:228562:227287,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)C)nc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HHLDYVKAXVHEKB-UHFFFAOYSA-N
-rxn:5:178295:228586:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2cccnc2C(C)C)CCC(=O)CC1,JUQFEJNCBFODFD-UHFFFAOYSA-N
-rxn:5:178295:228596:226582,CCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)n1,DFPSNOGGVFJVIK-UHFFFAOYSA-N
-rxn:5:178295:228620:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(SC)c(C)c2)CCC(=O)CC1,SBJOXGFIYFIYSF-UHFFFAOYSA-N
-rxn:5:178295:228622:226771,CCc1cc(F)ccc1-c1ccc(-c2cc(F)c(F)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,QOPHLCUPIRTLFT-UHFFFAOYSA-N
-rxn:5:178295:228781:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2ccc(C(F)F)cc2)CCC(=O)CC1,RZZDPXUCIMTEKK-UHFFFAOYSA-N
-rxn:5:178295:228791:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2ccc(SC)cc2F)CCC(=O)CC1,HIPHSPUNCPCGQZ-UHFFFAOYSA-N
-rxn:5:178313:226058:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1c(C(C)C)cccc1C(C)C,FVNKNSSASDMIKM-UHFFFAOYSA-N
-rxn:5:178314:226794:226739,CC(=O)c1ccc(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2O[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-],GMHIBZHOOZQQCX-UHFFFAOYSA-N
-rxn:5:178368:226181:226177,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)nc1,BBHJRJBVBDWVBU-UHFFFAOYSA-N
-rxn:5:178368:226364:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,CSIJQQYDQAOLLO-UHFFFAOYSA-N
-rxn:5:178466:223062:225980,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,CGLOMXIADSYHEL-UHFFFAOYSA-N
-rxn:5:178466:225873:223062,CC(C)OC(=O)c1sc2cc(-c3cccc(N4CCOCC4=O)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,LOZVBEKYQNDWFO-UHFFFAOYSA-N
-rxn:5:178466:225976:225980,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,BHEJNCXWMHVNHA-UHFFFAOYSA-N
-rxn:5:178467:222981:228138,CCOC(=O)C1=Cc2cc(-c3ccc(CC#N)c(F)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,JOUGQEAVJDJTMT-UHFFFAOYSA-N
-rxn:5:178467:222987:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,ONGJWAMQYZOLQX-UHFFFAOYSA-N
-rxn:5:178467:223002:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(C4CCNCC4)cc3F)c2OC1,XTBHAOXOAMFVQT-UHFFFAOYSA-N
-rxn:5:178467:223007:228964,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)s3)cc(-c3cc(F)cc(C4CCNCC4)c3)c2OC1,JUPYUMSWTYNIDX-UHFFFAOYSA-N
-rxn:5:178467:223061:223313,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CC4)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,WUANZDUPNDDNOR-UHFFFAOYSA-N
-rxn:5:178467:223061:227983,CCOC(=O)C1=Cc2cc(-c3ccccc3[Si](C)(C)C)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,GXWRGDSGWRYXTO-UHFFFAOYSA-N
-rxn:5:178467:223061:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PZKGBAJQYLYQOY-UHFFFAOYSA-N
-rxn:5:178467:223135:225926,CCOC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cccnc3C3CCCNC3)c2OC1,CPJISXSQJBEEJW-UHFFFAOYSA-N
-rxn:5:178467:223138:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CDRMMKBOVJCYNH-UHFFFAOYSA-N
-rxn:5:178467:223140:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,ZOHZQKJVVLQAPR-UHFFFAOYSA-N
-rxn:5:178467:223202:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,GRIJPVBGMLTSIZ-UHFFFAOYSA-N
-rxn:5:178467:223203:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,VUZSJJXBBHZOJE-UHFFFAOYSA-N
-rxn:5:178467:223240:223130,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CC(O)C4)cc3)cc(-c3ccc(C4CCNC4)nc3)c2OC1,GJUZPYNSYDRWKJ-UHFFFAOYSA-N
-rxn:5:178467:223281:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,AWONZTBYASOONG-UHFFFAOYSA-N
-rxn:5:178467:223294:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,ASDAWRJVWLUJEA-UHFFFAOYSA-N
-rxn:5:178467:225632:228062,CCOC(=O)C1=Cc2cc(-c3cncc4c3CCCO4)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,NEUVDUBXMLNIFU-UHFFFAOYSA-N
-rxn:5:178467:225799:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cncc(OC4CCOCC4)c3)c2OC1,ZPJUMRGQQVZDEO-UHFFFAOYSA-N
-rxn:5:178467:225976:228366,CCOC(=O)C1=Cc2cc(-c3cnc(N(C)C)c(F)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NRXJUMDYLRMSBM-UHFFFAOYSA-N
-rxn:5:178467:225980:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,URDXZBVZXALCAO-UHFFFAOYSA-N
-rxn:5:178467:226395:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,ZGYUZUKAYXFDIY-UHFFFAOYSA-N
-rxn:5:178467:226649:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3cccnc3N3CCOCC3)c2OC1,MHRUYMBVPAKXJU-UHFFFAOYSA-N
-rxn:5:178467:226664:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,ZXFMPTZQZIQLRA-UHFFFAOYSA-N
-rxn:5:178467:227292:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,BRHCDNJRXYBGHM-UHFFFAOYSA-N
-rxn:5:178467:227376:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,DLLQTPORDDXKQM-UHFFFAOYSA-N
-rxn:5:178467:227495:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N(C)CC)ncc3F)c2OC1,DAJZCYJFWPSDGP-UHFFFAOYSA-N
-rxn:5:178467:227701:223132,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCNCC4)c3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,RAYXSUIQSPWCBT-UHFFFAOYSA-N
-rxn:5:178467:227701:226572,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,DXWDMADPJKXHBY-UHFFFAOYSA-N
-rxn:5:178467:227803:228200,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCCC3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,PFESHYVGGFRJMR-UHFFFAOYSA-N
-rxn:5:178467:228750:223054,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cncc(C(C)=O)c3)c2OC1,PMVHXOJSTZNWBR-UHFFFAOYSA-N
-rxn:5:178556:223002:225601,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CCC1,WGQSSVZUDXRQTR-UHFFFAOYSA-N
-rxn:5:179417:225805:222960,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(C)cc(C3CCNCC3)c2)c1,OFQNFRDEHCAHLV-UHFFFAOYSA-N
-rxn:5:179418:225805:225607,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCCC1,KOCLLKLJPOZZJZ-UHFFFAOYSA-N
-rxn:5:179418:225805:225784,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCOCC3)nc2)s1)N1CCOCC1,YCBCFGRKHFVZCT-UHFFFAOYSA-N
-rxn:5:179629:225607:227657,COc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(S(C)(=O)=O)c1-c1ccc(N2CCOCC2)s1,VWVBJGFDWIXAOB-UHFFFAOYSA-N
-rxn:5:179629:226583:225802,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(OC2CCCC2)nc1F,UYKQJGSMDSRKLI-UHFFFAOYSA-N
-rxn:5:179840:225943:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[C@@H]2CCOC2)ccc1-c1ccc(C(=O)N2CCOCC2)s1,CBIIWLSTVSOWSD-GOSISDBHSA-N
-rxn:5:180022:226374:222998,COc1c(-c2cc(F)cc(C3CCCNC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,ZGCZKBJNDQWVEA-UHFFFAOYSA-N
-rxn:5:180203:223164:225611,COc1cc(N2CCCC2)ccc1-c1cc(OC2CCOCC2)cc(-c2cc(F)c(F)c(NC3CC3)c2)c1,LFAUKQWPMJKFSA-UHFFFAOYSA-N
-rxn:5:180204:225805:227803,CC(c1ccc(-c2cc(-c3ccnn3S(=O)(=O)N(C)C)ccc2OC2CCOCC2)s1)N1CCOCC1,VHNHEZGCHDXDKR-UHFFFAOYSA-N
-rxn:5:180267:222405:225946,CSc1cc(C(C)(C)C)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1-c1cc(C(C)=O)cc(C(F)(F)F)c1,LVLBGSSTATXVQV-UHFFFAOYSA-N
-rxn:5:180402:226414:225985,O=C(c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1,JPGMKSUSPNMWFC-UHFFFAOYSA-N
-rxn:5:180422:225832:228193,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnn(C2CCCC2)c1,RMILYTAJRQAVJX-UHFFFAOYSA-N
-rxn:5:180506:223066:225976,COC(=O)c1n[nH]c2cc(-c3cc(C(C)(C)C)cc(C4OCCO4)c3-c3ccnc(N4CCOCC4)c3F)ccc12,CXQQPZYRIIHIOZ-UHFFFAOYSA-N
-rxn:5:180506:228349:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cnn(C3CCOC3)c2)cc(C(C)(C)C)cc1C1OCCO1,JAHMYGONUBSOHF-UHFFFAOYSA-N
-rxn:5:180602:223294:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3csc(N4CCNCC4)n3)c2O1,SVLQNHNIVBDIGD-UHFFFAOYSA-N
-rxn:5:180602:225976:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,HAYRDFIDJZXGDL-UHFFFAOYSA-N
-rxn:5:180662:223061:223018,COC(=O)C1=Cc2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,BKMKFAPYHRGHGY-UHFFFAOYSA-N
-rxn:5:180662:225677:227591,COC(=O)C1=Cc2cc(-c3ccc(C(F)F)cc3OC)cc(-c3ccc(C4CCCCC4)nc3F)c2OC1,WRGHKAOOFSGYJH-UHFFFAOYSA-N
-rxn:5:180662:225881:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,HVCIMJJIGVDRRV-JXMROGBWSA-N
-rxn:5:180662:226144:227613,COC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,BNBFFZZRXWGHBA-UHFFFAOYSA-N
-rxn:5:180662:226148:222987,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3C)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,GNNLWIJKJIKDIV-UHFFFAOYSA-N
-rxn:5:181324:225805:225943,CC(c1ccc(-c2cc(-c3ccc(C(=O)N4CCOCC4)s3)ccc2S(C)(=O)=O)s1)N1CCOCC1,TWEJWXKDCRXRQK-UHFFFAOYSA-N
-rxn:5:181905:225394:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,YHHDLFILIHJNRZ-UHFFFAOYSA-N
-rxn:5:181907:222985:225683,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,DWVYDYQLQNKTSV-UHFFFAOYSA-N
-rxn:5:181907:225607:226179,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cncc(C3CCCCC3)c2)c(C2OCCO2)c1,LIAWTUNSMJTIGO-UHFFFAOYSA-N
-rxn:5:181908:225407:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCCC3)cc2)ccc1C1CCNCC1,JZRAYISZYPGZRR-UHFFFAOYSA-N
-rxn:5:181908:225639:225683,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,HVDISYPQUNVTLI-UHFFFAOYSA-N
-rxn:5:182009:223063:226652,Cc1cc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(C3CCOCC3)c2)n(C2CCCCO2)n1,RHXHTLLSRBEJTN-UHFFFAOYSA-N
-rxn:5:183066:225943:225592,O=C1CCCc2c1ccc(-c1ccc(C(=O)N3CCOCC3)s1)c2-c1cc(F)ccc1CN1CCCC1,CCUYHJOVDROKCV-UHFFFAOYSA-N
-rxn:5:183189:226686:225671,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCCC3)ncc2F)cc2c1OC(C)(C)OC2,LXIWUGFSJDSKFX-UHFFFAOYSA-N
-rxn:5:183216:225817:226664,CC1(C)CC(=O)c2cc(-c3ccc(C(F)(F)F)c(C4CC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2O1,AQKWCSONQKEXGM-UHFFFAOYSA-N
-rxn:5:183216:226601:226045,CC(C)Oc1ccc(F)c(F)c1-c1cc2c(c(-c3ccc(C(F)(F)C(F)(F)F)nc3)c1)OC(C)(C)CC2=O,PRGDIEPJGSISMW-UHFFFAOYSA-N
-rxn:5:183229:222405:225823,CC(C)c1cc(-c2cc(-c3cccc(C4NC(=O)NC4=O)c3)cc3c2SCCC3(C)C)cc(C(F)(F)F)c1,GGNWLVXRRRBNOE-UHFFFAOYSA-N
-rxn:5:188459:226583:226886,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(CN3CCOCC3)s2)cc1-c1cc(F)c(C(F)(F)F)c(F)c1,IHMLXDIOBYDXLW-UHFFFAOYSA-N
-rxn:5:188868:225871:223065,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCNCC3)cc2F)c1-c1cccc(N2C(=O)C=CC2=O)c1,YNUBAZUBQAYNOE-UHFFFAOYSA-N
-rxn:5:188874:226048:222991,CON(C)C(=O)c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1-c1c(F)ccc(F)c1OC(F)(F)F,VOAFSJBCVFLDPL-UHFFFAOYSA-N
-rxn:5:188877:226032:223018,COc1cc(-c2cc(C(=O)N(C)OC)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)c(C(F)(F)F)c1,GKMYUPUPFPSMLH-UHFFFAOYSA-N
-rxn:5:188930:225639:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccnc(N2CCOCC2)c1,JRUQUINJPFODBO-UHFFFAOYSA-N
-rxn:5:189078:225683:225804,CCN(C)C(=O)c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1-c1ccc(C(=O)N2CCC2)c(F)c1,VDSBEIZQNYAYCJ-UHFFFAOYSA-N
-rxn:5:189207:226366:226366,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1-c1ccnc(N2CCCCC2)c1,DQEBPLYVLBJOCN-UHFFFAOYSA-N
-rxn:5:189207:227124:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1C(=O)ON1C(=O)CCC1=O,ODZNIJNMBISHEL-UHFFFAOYSA-N
-rxn:5:189209:227700:222986,COc1ccc([N+](=O)[O-])c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C)nc(C4CCCNC4)c3)c2)c1,RRJSRVLSMYHKCX-UHFFFAOYSA-N
-rxn:5:189210:223378:226658,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1ccc(N2CCCC2)nc1F,FIXXIIZPHAFGSU-UHFFFAOYSA-N
-rxn:5:189212:228366:226742,CN(C)c1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C#N)cc2C(F)(F)F)cc1F,NRTCHQRUGMDHFJ-UHFFFAOYSA-N
-rxn:5:189448:225634:223230,COC1CN(C(=O)c2ccc(-c3cnc(N4CCCCC4)c(C)c3)c(-c3ccc(NC(C)=O)cc3C)c2)C1,XXYOCVBRIFDKIH-UHFFFAOYSA-N
-rxn:5:189665:226191:226464,COc1ccc2c(c1-c1cc(-c3cc(C4CCCC4)ccc3F)cnc1OCC1CCOCC1)OCCO2,PBKZTKKKTQVBOO-UHFFFAOYSA-N
-rxn:5:189666:226444:225598,Cc1nc(C2CCCO2)ccc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cccc(CN2CCSCC2)c1,YYGLKNMDXFALBR-XABMLGTISA-N
-rxn:5:189667:225576:226411,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(N3CCOCC3)cc2)cc(-c2ccc(N3CCCC3)c(C#N)c2)c1,SNKPMTJGQJHMSL-MUAVMNIOSA-N
-rxn:5:189670:226736:226153,COc1cc(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2/C=N/S(=O)C(C)(C)C)cc1C1CC1,MSUDWPOOPJVUCD-XJECJHNESA-N
-rxn:5:189676:227404:225833,O=C(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(N3CCCCC3)cs2)c1)N1CCCC1,VPUFFUYLKONPHQ-UHFFFAOYSA-N
-rxn:5:189908:226422:226599,CCOc1c(F)cc(-c2ncc(-c3cc(F)ccc3N3CCCC3)cc2OCC2CCCCC2)c(C)c1F,DVMJLRDCODBCLC-UHFFFAOYSA-N
-rxn:5:189909:223065:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)c(CCN2CCOCC2)c1,TUGGDENLJNVJRK-UHFFFAOYSA-N
-rxn:5:189909:225976:223061,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,UDRQPNVUSCEVSA-UHFFFAOYSA-N
-rxn:5:189910:226395:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cncc(N3CCCCC3)c2)cc1CCN1CCOCC1,MYNQKEMLTWZDKX-UHFFFAOYSA-N
-rxn:5:189952:222417:223065,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,MQOREBUWLQTXFE-UHFFFAOYSA-N
-rxn:5:189952:226187:227821,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3CCOCC3)c2)c1OC,FDGISDHAQYMHMJ-UHFFFAOYSA-N
-rxn:5:189952:226589:227815,CCC(C)c1ccccc1-c1cc(C(=O)N2CCOCC2)cc(-c2cc(C(F)F)ncc2C(C)C)c1OC,DEGKDTGVYAXNHX-UHFFFAOYSA-N
-rxn:5:189952:227316:226645,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1,UDDFGVZIQDHFRN-UHFFFAOYSA-N
-rxn:5:189952:228491:226605,COc1c(-c2cc(F)c(OC(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cn(C)c(=O)n(C)c1=O,JSKUPELUTYDFBX-UHFFFAOYSA-N
-rxn:5:190001:223082:227048,CNS(=O)(=O)c1c(C)cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C(=O)C(C)C)cc2)cc1C,PXEYDYFTSJJBDH-UHFFFAOYSA-N
-rxn:5:190128:225794:226781,COC1CCN(C(=O)c2ccc(-c3cnc(OC4CCCCC4)nc3)c(-c3cc(C)cc(OC(F)(F)F)c3)c2)CC1,RBVIDZFSBAXHPG-UHFFFAOYSA-N
-rxn:5:190132:226898:228210,COC1CCN(C(=O)c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc2-c2ccc(N3CCCC3)s2)CC1,WUMNXQUUVDQCFM-UHFFFAOYSA-N
-rxn:5:190194:227561:226197,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCOC3)cc2)cc1OC,GLOXNWQBLOXIKQ-UHFFFAOYSA-N
-rxn:5:190195:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,DSXLKMVWTPTXNZ-UHFFFAOYSA-N
-rxn:5:190195:223061:227379,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cccnc2N2CCCC2)c1)C1CCOCC1,VSSMMYLSHPGXRL-UHFFFAOYSA-N
-rxn:5:190195:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnn(CC2CCOCC2)c1,TVBOGCAYOUVURL-UHFFFAOYSA-N
-rxn:5:190196:223065:223113,CN(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LBEZXDCTFSTUPK-UHFFFAOYSA-N
-rxn:5:190196:226040:227717,Cc1c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(F)cc3OC(F)F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],XZDIKUHPDAFSDS-UHFFFAOYSA-N
-rxn:5:190199:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1CN(C)C1CCOCC1,KPVHXYILCMIFFM-UHFFFAOYSA-N
-rxn:5:190199:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)cc1CN(C)C1CCOCC1,XWYXUNJZUFCVPB-UHFFFAOYSA-N
-rxn:5:190199:226864:222415,CN(Cc1cc(-c2ccc(F)c(S(N)(=O)=O)c2)ccc1-c1cc(F)c(OC(F)F)c(F)c1)C1CCOCC1,JNZXQYJAWGMBAD-UHFFFAOYSA-N
-rxn:5:190201:222417:223062,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2cnc(C3CCNCC3)cc2F)CCO1,LQTRKJRKPFVCOD-UHFFFAOYSA-N
-rxn:5:190201:223113:223062,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cnc(C3CCNCC3)cc2F)CCO1,YBTHAMIFVLDELA-UHFFFAOYSA-N
-rxn:5:190231:222418:226052,COc1c(-c2ccc(S(N)(=O)=O)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1c(F)ccc(OC(F)(F)F)c1F,AMCJWMRLLATLOG-UHFFFAOYSA-N
-rxn:5:190231:226771:226916,COC(=O)c1cc(F)c(F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cccc(C3=CCCC3)c2)c1OC,KICWINADNWAPEV-UHFFFAOYSA-N
-rxn:5:190265:227376:225985,CC1CCCN(C(=O)Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(-c3cncc(N4CCCC4)c3)c2)C1,GZSDNDGPMWWOGN-UHFFFAOYSA-N
-rxn:5:190335:227371:228274,COc1c(-c2cc(SC)c(C)cc2F)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C)c(OC)c1OC,QUXSAZHBDTWRBE-UHFFFAOYSA-N
-rxn:5:190335:229118:225441,COc1c(-c2cc(C)nc(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)cnc1C(C)(C)C,LXRFMJSLDNRMRR-UHFFFAOYSA-N
-rxn:5:190404:227342:223137,COC(=O)c1ccc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4cncc(C5CCCNC5)c4)CC3)o2)cc1C,WYJWVOZLVZTBMZ-UHFFFAOYSA-N
-rxn:5:190484:223141:228895,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,FUMXIKKCZUMLQN-UHFFFAOYSA-N
-rxn:5:190484:225441:228928,CC(C)(C)c1ncc(C2CC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccnc3C(F)F)S(=O)(=O)CC2)c1,ZEXRLTWCNCUGFV-UHFFFAOYSA-N
-rxn:5:190484:227076:227313,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)CC)ncc4F)S(=O)(=O)CC3)c2)c1,XJINSBDWELMKEV-UHFFFAOYSA-N
-rxn:5:190484:227409:227409,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(F)cn1,SCLAHCCBGDHGGF-UHFFFAOYSA-N
-rxn:5:190484:227449:223200,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,YLEYBJFWOWBSNG-UHFFFAOYSA-N
-rxn:5:190484:227907:227124,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c1,CSYRDEQEYNNRHI-UHFFFAOYSA-N
-rxn:5:190484:228195:227319,Cc1nn(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ncc3F)S(=O)(=O)CC2)c1,OFUDNXXDQCXBIA-UHFFFAOYSA-N
-rxn:5:190484:228195:228227,Cc1nn(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)C)nc3F)S(=O)(=O)CC2)c1,PLJZREYMGYSOJM-UHFFFAOYSA-N
-rxn:5:190484:228677:227409,CC(C)Cn1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,VPMWTKJJQPCWBV-UHFFFAOYSA-N
-rxn:5:190587:226426:225943,CCOC(=O)c1cc2c(-c3ccc(N4CCC(C)CC4)s3)ccc(-c3ccc(C(=O)N4CCOCC4)s3)c2[nH]1,WVHHFTIPQHYHMZ-UHFFFAOYSA-N
-rxn:5:190711:226661:225976,CCOC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2n1C,HBLUCDBUMPMXRG-UHFFFAOYSA-N
-rxn:5:190740:223062:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,LOCCHIIMGAFQDQ-UHFFFAOYSA-N
-rxn:5:190740:223064:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,OPFULPGZMIQIOW-UHFFFAOYSA-N
-rxn:5:190740:223064:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,OLUIJZAOZUNWTM-UHFFFAOYSA-N
-rxn:5:190740:225982:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,QPSNSKLGULONDY-UHFFFAOYSA-N
-rxn:5:190742:225784:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(N2CCCCC2)ncc1F,PJYIUOHKZLEJQA-UHFFFAOYSA-N
-rxn:5:190743:223062:223056,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,KAWZYLYTTJJLKK-UHFFFAOYSA-N
-rxn:5:190743:225982:226661,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCN(C)CC2)cs1,OAAUJLZSZKSOJC-UHFFFAOYSA-N
-rxn:5:190744:223061:225849,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,AEIAKCASAAQJDB-UHFFFAOYSA-N
-rxn:5:190744:223062:223056,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,QAYBDINALNCHJE-UHFFFAOYSA-N
-rxn:5:190744:225833:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,GEUHSVUMEQDSQF-UHFFFAOYSA-N
-rxn:5:190744:225978:225982,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,NAXAWNJMLLUISI-UHFFFAOYSA-N
-rxn:5:190744:225982:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,FMUBKGHMIAXIPL-UHFFFAOYSA-N
-rxn:5:190744:226662:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,JHDZCMYKMGCVDO-UHFFFAOYSA-N
-rxn:5:190797:226582:223018,CN(C)C(=O)c1ccc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c3ccn(C(=O)OC(C)(C)C)c3c2)c(F)c1,RSSFQHHDOCOYJR-UHFFFAOYSA-N
-rxn:5:190798:225450:226140,COc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)c(-c1ccc(C(=O)C3CCCC3)cc1)cn2C(=O)OC(C)(C)C,XCNMKVUISVFZAV-UHFFFAOYSA-N
-rxn:5:190798:225871:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc2c(c1)c(-c1cccc(N3C(=O)C=CC3=O)c1)cn2C(=O)OC(C)(C)C,VZPHBXGBWRNCKQ-UHFFFAOYSA-N
-rxn:5:190798:225871:226140,COc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)c(-c1cccc(N3C(=O)C=CC3=O)c1)cn2C(=O)OC(C)(C)C,SOGIXPGQTISLBI-UHFFFAOYSA-N
-rxn:5:190799:226334:223018,Cc1cc(C(=O)N(C)C)cc(-c2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc3c2ccn3C(=O)OC(C)(C)C)c1,YEDSFZBSSAPREF-UHFFFAOYSA-N
-rxn:5:190799:226573:223018,Cc1nc(OC(C)(C)C)ncc1-c1c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc2c1ccn2C(=O)OC(C)(C)C,NUUKJCPDTKUKAE-UHFFFAOYSA-N
-rxn:5:190832:225833:226679,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1cnc(N2CCCC2)cc1F,LUGALIFRLJCDRU-UHFFFAOYSA-N
-rxn:5:190833:226062:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,VWVDHACZJGIPKY-UHFFFAOYSA-N
-rxn:5:190833:227926:226914,Cc1cc(CC(C)C)ccc1-c1ccc(-c2ccc(SC(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,HLIZPBXNXIZCNA-UHFFFAOYSA-N
-rxn:5:190859:227065:226085,CC(C)C(=O)c1cccc(-c2ccc3c(c2-c2ccc4c(c2)CCC(C)(C)O4)CCN3C(=O)OC(C)(C)C)c1,BWZVZCDJQLLMQJ-UHFFFAOYSA-N
-rxn:5:190998:228562:226062,CCC(C)c1csc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)C)cc(C(C)C)c4)cc2C(=O)OC)C(=O)CO3)c1,GRIJHDAYOAFCOC-UHFFFAOYSA-N
-rxn:5:191026:226058:227907,CCC(C)c1cncc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5c(C(C)C)cccc5C(C)C)cc43)ccc2C)c1,JLCYYRWPSZIAHS-UHFFFAOYSA-N
-rxn:5:191026:226910:227045,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(SC(C)(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1,WDPLQHJSAFUJTG-UHFFFAOYSA-N
-rxn:5:191049:226174:227357,CCC(=O)c1cc(-c2cc(OC)c(N3Cc4cc(-c5ccc(C6CCCCC6)nc5)ccc4OCC3=O)cc2OC)ccc1F,QCONSEXITFWKSK-UHFFFAOYSA-N
-rxn:5:191049:227379:227020,COc1cc(N2Cc3cc(-c4cccnc4N4CCCC4)ccc3OCC2=O)c(OC)cc1-c1cncc(C#CC2CC2)c1,ILPWFGYYRRLGGV-UHFFFAOYSA-N
-rxn:5:193053:225871:225634,Cc1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cnc1N1CCCCC1,MGXFEAKZCYMSPR-UHFFFAOYSA-N
-rxn:5:193055:226652:225811,Cc1cc(-c2ccc(C3(C#N)CCCC3)c(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2)n(C2CCCCO2)n1,FGQNNDAPXJKCDO-UHFFFAOYSA-N
-rxn:5:193225:226420:226374,O=C(c1cc(-c2ccc(F)c(N3CCCC3)c2)ccc1-c1cncnc1C1CCCCC1)N1CCOCC1,FJGQKGOUZRXLNA-UHFFFAOYSA-N
-rxn:5:193226:225784:225976,O=C(c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,OUZGXFRXFMKYHL-UHFFFAOYSA-N
-rxn:5:193338:223137:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)cc(-c2cncc(C3CCCNC3)c2)c1,CFPTTZJYYBFEAA-UHFFFAOYSA-N
-rxn:5:193382:223001:225640,CC1CCCCN1c1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)ccn1,ITLMTMDJYRSNBM-UHFFFAOYSA-N
-rxn:5:193382:223008:223004,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1ccc(C2CCNCC2)c(F)c1)N1CCOCC1,MUDOCTIXLKKVEL-UHFFFAOYSA-N
-rxn:5:193382:223008:223058,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1cc(F)nc(C2CCCNC2)c1)N1CCOCC1,UVUDEYVGYIRHGR-UHFFFAOYSA-N
-rxn:5:193382:223061:225874,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,IEUPPPVFGGXTKJ-UHFFFAOYSA-N
-rxn:5:193382:223135:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCOCC1,AGLNCNWFLCGBPS-UHFFFAOYSA-N
-rxn:5:193382:223139:223200,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,YWNLGARFWQNRBI-UHFFFAOYSA-N
-rxn:5:193382:223140:223137,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,ZXOFOPJONDGMOS-UHFFFAOYSA-N
-rxn:5:193382:223142:227438,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccnc(C2CCOC2)c1)N1CCOCC1,RPSHPBZSUDWTRR-UHFFFAOYSA-N
-rxn:5:193382:223146:223189,CS(=O)(=O)Nc1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)c(F)c1,MNSIMXGTXBQSTN-UHFFFAOYSA-N
-rxn:5:193382:223242:223135,O=S(=O)(c1ccc(-c2ccnc(C3CCNC3)c2)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,WDAIFEJHXZTZPL-UHFFFAOYSA-N
-rxn:5:193382:223285:223146,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccc(C3CNCCO3)c2)c1,IMOWXNNTHDPFIC-UHFFFAOYSA-N
-rxn:5:193382:225874:222996,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1ccc(F)cc1C1CCCNC1)N1CCOCC1,IZEGSYFDGNJUTD-UHFFFAOYSA-N
-rxn:5:193382:226177:225868,O=S(=O)(c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,BSUXZASJIPEDHS-UHFFFAOYSA-N
-rxn:5:193382:226180:223199,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CCNC4)c3)c2)cc(C2CCCC2)n1,QRUWKPYEHQNGPS-UHFFFAOYSA-N
-rxn:5:193382:226413:226643,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccc(N2CCOCC2)nc1)N1CCOCC1,AAYCEQOMGUPSFF-UHFFFAOYSA-N
-rxn:5:193382:226654:227710,CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)cs2)CC1,NDAPYNKOXKEBID-UHFFFAOYSA-N
-rxn:5:193382:226662:223146,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CNCCO5)c4)c3)s2)CC1,ULHIQQDZPVGGEL-UHFFFAOYSA-N
-rxn:5:193382:226662:223200,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCNC5)cc4)c3)s2)CC1,GKOMFYZSOONGQR-UHFFFAOYSA-N
-rxn:5:193382:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCOCC3)s2)ccc1S(=O)(=O)N1CCOCC1,NJULPQLXYQZFEF-UHFFFAOYSA-N
-rxn:5:193382:227656:223058,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)cs2)cc1-c1cc(F)nc(C2CCCNC2)c1)N1CCOCC1,IGUPHBYMZIRJEL-UHFFFAOYSA-N
-rxn:5:193382:227656:225657,Cc1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,AXIBPPZGEWFTDH-UHFFFAOYSA-N
-rxn:5:193382:227710:227684,CS(=O)(=O)Oc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(CC4OCCO4)c3)c2)cc1,UVTNKNLLZMPISZ-UHFFFAOYSA-N
-rxn:5:193382:227968:225834,O=S(=O)(c1ccc(-c2cnccc2C2CCC2)cc1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,KSCAQPWJBXJCCQ-UHFFFAOYSA-N
-rxn:5:193465:226395:223173,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cncc(N2CCCCC2)c1,YVLGAQMLRTVSOG-SVQMELKDSA-N
-rxn:5:193467:227063:225672,Cc1ccc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2C(=O)N2CCC[C@@H]2C)c(OC(C)C)c1,FWURXZYMJUMHNG-QHCPKHFHSA-N
-rxn:5:193506:223065:223313,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(C3(O)CC3)cc2)CC1,XEORGDALJDPGPJ-UHFFFAOYSA-N
-rxn:5:193506:223138:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,RHWSHWXTXYIDGY-UHFFFAOYSA-N
-rxn:5:193506:223138:228103,CC(C)Cc1ncc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,FFEBTGSFCMBUEP-UHFFFAOYSA-N
-rxn:5:193506:223200:225805,CC(c1ccc(-c2cc(-c3ccc(C4CCNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,UELLYHCLLGXCHQ-UHFFFAOYSA-N
-rxn:5:193506:223252:223240,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)NCCO4)cc2-c2ccc(C3CCNC3)nc2)CC1,YYVLFRPFXPFFMR-UHFFFAOYSA-N
-rxn:5:193506:223289:227654,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3OCCO3)nc2)c1,MVSSNZZLTUDOLZ-UHFFFAOYSA-N
-rxn:5:193506:223294:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2c(C3CC3)ccnc2F)CC1,CCZRBKPWBAIVBK-UHFFFAOYSA-N
-rxn:5:193506:223312:225831,Cc1cc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cnc1N1CCOCC1,YCDRWWYHRNFZIJ-UHFFFAOYSA-N
-rxn:5:193506:225514:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3OCC3(CC3)CO4)cc2-c2c(C3CC3)ccnc2F)CC1,XEGAYCXDEWTGTO-UHFFFAOYSA-N
-rxn:5:193506:225607:226452,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4OCCCO4)cc3)c2)s1)N1CCCCC1,ZMUOAXYFHRRQCR-UHFFFAOYSA-N
-rxn:5:193506:225831:223054,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C(C)N4CCC(O)C4)s3)c2)cnc1N1CCOCC1,CEJNXPNLWYSWNN-UHFFFAOYSA-N
-rxn:5:193506:225831:223312,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNC4)cc3)c2)cnc1N1CCOCC1,BDRHEQHRHJCAIN-UHFFFAOYSA-N
-rxn:5:193506:225834:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2sccc2C2CC2)CC1,WLVJWWFLKXXTGM-UHFFFAOYSA-N
-rxn:5:193506:225874:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCOCC4)c3)cc2-c2csc(C3CC3)n2)CC1,DXWZLQCQSPTJKM-UHFFFAOYSA-N
-rxn:5:193506:226181:227875,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCCCC4)nc3)cc2-c2cccc3c2CCCO3)CC1,RRWVXQIJOUHZFT-UHFFFAOYSA-N
-rxn:5:193506:226181:228066,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCCCC4)nc3)cc2-c2ccc3c(c2)OCCO3)CC1,SYGYCJDJVUJCQX-UHFFFAOYSA-N
-rxn:5:193506:226364:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2c(C3CC3)ccnc2F)CC1,HWPVSGCRTXITGE-UHFFFAOYSA-N
-rxn:5:193506:226395:228236,O=C1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2ccnc(F)c2C2CC2)CC1,GLSPQCSQSNUNSM-UHFFFAOYSA-N
-rxn:5:193506:226411:228221,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2-c2cc(F)nc(C3CC3)c2)CC1,VWRACERPCODDMU-UHFFFAOYSA-N
-rxn:5:193506:226413:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCOCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,MPSQBJFDXRHOLQ-UHFFFAOYSA-N
-rxn:5:193506:226414:227972,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cncc(C3CCC3)c2)CC1,IPOIVMJNVZEKPG-UHFFFAOYSA-N
-rxn:5:193506:226422:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2cc(C3CC3)cnc2F)CC1,UZEDOYRTUVVJSL-UHFFFAOYSA-N
-rxn:5:193506:226658:223311,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2cccc(C3CNC3)c2)CC1,ZNBZAZUJZBWLEX-UHFFFAOYSA-N
-rxn:5:193506:226658:223312,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(C3CNC3)cc2)CC1,KHWXMPRVSCSNIO-UHFFFAOYSA-N
-rxn:5:193506:226661:223148,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccccc4C4CNCCO4)c3)c2)CC1,IQVQTZBTPRACCP-UHFFFAOYSA-N
-rxn:5:193506:226662:223201,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccccc4C4CCNC4)c3)s2)CC1,LGGWAMXPUCWSCZ-UHFFFAOYSA-N
-rxn:5:193506:226663:226440,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2-c2cc(F)nc(C3CCCC3)c2)CC1,CUUYIJRVXRSDCD-UHFFFAOYSA-N
-rxn:5:193506:227120:227375,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)cc3F)cc2-c2ccc(N3CCCC3)nc2)CC1,PZPPESXZHIGLHJ-UHFFFAOYSA-N
-rxn:5:193506:227203:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCCO4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,CHPLRNMXBSPPAD-UHFFFAOYSA-N
-rxn:5:193506:227611:226328,CC(C)(C#N)c1ccc(-c2cc(-c3ccnn3C3CCCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1F,IJNDBPXACZEAKT-UHFFFAOYSA-N
-rxn:5:193506:227807:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCCC4)cc2-c2ccc(N3CCCCC3)nc2)CC1,YBGIUKXKIUQBSH-UHFFFAOYSA-N
-rxn:5:193506:227863:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCCO4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,JLAVDIDFRWWUGU-UHFFFAOYSA-N
-rxn:5:193506:227875:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCCO4)cc2-c2ccc(C3=CCCCC3)nc2)CC1,GPXLPZJYOCKYRN-UHFFFAOYSA-N
-rxn:5:193506:227972:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,HNWHPEDXGIMIQQ-UHFFFAOYSA-N
-rxn:5:193506:228012:223138,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccnc(C3CCNCC3)c2)CC1,VNQZKOYNTOMHFG-UHFFFAOYSA-N
-rxn:5:193506:228012:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,VLBKHLXTZRPVBZ-UHFFFAOYSA-N
-rxn:5:193506:228207:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2ccccc2N2CCNCC2)CC1,VTZFSULNGCCZQB-UHFFFAOYSA-N
-rxn:5:193506:228223:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2ccccc2N2CCNCC2)CC1,QMBDHULBYLASAW-UHFFFAOYSA-N
-rxn:5:193506:228236:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,YUDWPHSQKWKNKU-UHFFFAOYSA-N
-rxn:5:193506:229081:222959,Cc1cc(-c2cc(-c3ccc(N(C)C)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,UZQZIDCGUGOPRC-UHFFFAOYSA-N
-rxn:5:193681:223056:223286,CN1CCC(Oc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2-c2cccc(NS(C)(=O)=O)c2)CC1,IZCSFGHGSOJREE-UHFFFAOYSA-N
-rxn:5:193710:226414:226450,CC1(c2cccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(C7=NCCCO7)cc6)c5)C4=O)cc3)c2)OCCO1,FOWSCKBUUYBWHU-UHFFFAOYSA-N
-rxn:5:193748:222988:228245,CC(=O)c1ccc(-c2ccc(-c3cc(C)nc(C4CCNCC4)c3)cc2C(=O)N2CCCC(C)C2)cc1F,BKSRCZJCLXVYKV-UHFFFAOYSA-N
-rxn:5:193748:223062:226590,CC1CCCN(C(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(OC3CCOC3)nc2)C1,YMYAVSCFMDYIGY-UHFFFAOYSA-N
-rxn:5:193748:226325:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(C)(C)C#N)cc2F)cc1C(=O)N1CCCC(C)C1,YLUGBBMIQFQCGV-UHFFFAOYSA-N
-rxn:5:193754:223061:227710,CC1CCN(C(=O)c2cccc(-c3cc(C4CCNCC4)ncc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,XHSYIXUBLADQPP-UHFFFAOYSA-N
-rxn:5:193756:222981:225656,CC1CCCCN1C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1cncc(N2CCCCC2C)c1,WOPBKAXUFVRSRC-UHFFFAOYSA-N
-rxn:5:193756:222981:226588,CC1CCCCN1C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1cc(OC2CCC2)ncc1F,DNPOMPDZEJFHDH-UHFFFAOYSA-N
-rxn:5:193756:225652:228318,COC(=O)c1ccncc1-c1cc(-c2cncc(N3CCCC(C)C3)c2)ccc1C(=O)N1CCCCC1C,DLLUYFZHFZEJAU-UHFFFAOYSA-N
-rxn:5:193756:226183:226747,CCc1ncc(-c2cc(-c3cnccc3C3CCCCC3)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,ZZYMDVSAGJFLRN-UHFFFAOYSA-N
-rxn:5:193807:223131:223173,CC1CCN(Cc2cccc(-c3ccc4c(c3)C(O)CS4(=O)=O)c2-c2ccc(N3CCNCC3)cc2)CC1,OGEKZUVQWGFHBW-UHFFFAOYSA-N
-rxn:5:193866:225978:223063,O=C1CCN(C2(c3ccc(-c4ccc(N5CCOCC5)nc4F)c(-c4cc(F)nc(C5CCNCC5)c4)c3)CC2)CC1,KXKSQHWEPDMKMH-UHFFFAOYSA-N
-rxn:5:193866:227038:226914,COc1ccc(C(C)C)cc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(CC(C)C)cc1C,NECKGTZZGFCLDS-UHFFFAOYSA-N
-rxn:5:193866:227808:225454,CN1CC=C(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccc4c(c3)CCCC4)cc2)CC1,DZALEILUICPONV-UHFFFAOYSA-N
-rxn:5:193867:228677:223191,CNS(=O)(=O)c1ccc(-c2cc(-c3cnn(CC(C)C)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1F,MVXBUEHVRKCHQG-UHFFFAOYSA-N
-rxn:5:193868:226137:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2cc(C3CC3)cnc2C(C)C)cc1C(=O)N1CC(C)OC(C)C1,CRTXIECNXBEEGP-UHFFFAOYSA-N
-rxn:5:193869:223131:223313,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2(O)CC2)cc1,ICDZIASLVYUVTR-UHFFFAOYSA-N
-rxn:5:193869:225456:223342,Cc1cc(-c2ccc(C3CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCCN2,ZANRMPYNAVFSRC-UHFFFAOYSA-N
-rxn:5:193869:225515:228234,Cc1cc(-c2cccc3c2OCC(C)(C)CO3)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C2CC2)ccnc1F,DFMRJAPNQWQGFW-UHFFFAOYSA-N
-rxn:5:193869:225633:228504,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1CCC2,FNIRTZJQZRVXGJ-UHFFFAOYSA-N
-rxn:5:193869:225633:228883,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1F,BDLIOCGPLFRHOA-UHFFFAOYSA-N
-rxn:5:193869:225638:228883,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1F,JHLUQZWGZCPVSS-UHFFFAOYSA-N
-rxn:5:193869:225639:228883,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)cnc1F,FKWKYWIPYLKTCR-UHFFFAOYSA-N
-rxn:5:193869:225655:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCC(C)CC4)c3)cc2C)c1,PAUPYFDSOJLFHW-UHFFFAOYSA-N
-rxn:5:193869:225833:229011,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CC2)s1,IQQQIWXAOHSMTB-UHFFFAOYSA-N
-rxn:5:193869:226366:227807,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1CCCC2,YRAKXPKHTMTVDU-UHFFFAOYSA-N
-rxn:5:193869:226395:228201,Cc1cc(-c2cncc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCC2)nc1,MGNJNVXTGKKYKO-UHFFFAOYSA-N
-rxn:5:193869:226412:228234,Cc1cc(-c2cc(F)cc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C2CC2)ccnc1F,CZUCHIRDQTVROD-UHFFFAOYSA-N
-rxn:5:193869:226422:228193,Cc1cc(-c2cc(F)ccc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CCCC2)c1,NLKNMHOCXOFPSB-UHFFFAOYSA-N
-rxn:5:193869:227375:226959,Cc1cc(-c2ccc(N3CCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CC(C)(C)O2,FKKCCJLQDLWOTD-UHFFFAOYSA-N
-rxn:5:193869:227379:227376,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,BDJRRWVIOJUVSX-UHFFFAOYSA-N
-rxn:5:193869:227387:227376,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,QEKKLJBFEFOREI-UHFFFAOYSA-N
-rxn:5:193869:227458:223252,Cc1cc(-c2cnc3c(c2)OCCN3C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)c2c(c1)NCCO2,YYALPMBJFMYTMS-UHFFFAOYSA-N
-rxn:5:193869:228883:225638,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,UXCQJFDMMTWKKW-UHFFFAOYSA-N
-rxn:5:193869:228883:225639,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cccnc1N1CCC(C)CC1,XBSWIDPRIZDTPI-UHFFFAOYSA-N
-rxn:5:193870:222420:223294,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2csc(N3CCNCC3)n2)cc1-c1ccccc1S(N)(=O)=O,RUVZMXZCZPVQCS-UHFFFAOYSA-N
-rxn:5:193870:223218:225515,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCC(C)(C)CO3)cc1-c1ccc2c(c1C)NCCO2,KOBQWTFVGDYIFT-UHFFFAOYSA-N
-rxn:5:193870:225515:228524,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCC3)cc1-c1cccc2c1OCC(C)(C)CO2,QGGOBJADXHSMSH-UHFFFAOYSA-N
-rxn:5:193870:225515:228570,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C3CC3)c2)cc1-c1cccc2c1OCC(C)(C)CO2,QCGHHWFOGASKLQ-UHFFFAOYSA-N
-rxn:5:193870:225633:228503,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCC3)cc1-c1ccc(N2CCCCCC2)nc1,OVOCJGYHTLPRQN-UHFFFAOYSA-N
-rxn:5:193870:225634:228503,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCC3)cc1-c1cnc(N2CCCCC2)c(C)c1,YICMBNJGEPWNPU-UHFFFAOYSA-N
-rxn:5:193870:225634:228504,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCC3)cc1-c1cnc(N2CCCCC2)c(C)c1,XGVRXKXVQTXUEV-UHFFFAOYSA-N
-rxn:5:193870:225636:228719,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C#N)ncc2C)cc1-c1ccnc(N2CCC(C)CC2)c1,RIPNSBJWXPDOAI-UHFFFAOYSA-N
-rxn:5:193870:225834:229048,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn3c2CCC3)cc1-c1cc(N2CCCCC2)ncc1F,RJTYCZTXWNEFIV-UHFFFAOYSA-N
-rxn:5:193870:225834:229049,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3n2CCC3)cc1-c1cc(N2CCCCC2)ncc1F,FUVREXCRINYXSW-UHFFFAOYSA-N
-rxn:5:193870:225834:229064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnn2C2CC2)cc1-c1cc(N2CCCCC2)ncc1F,DUSUUFOEAGMZTN-UHFFFAOYSA-N
-rxn:5:193870:225870:229049,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3n2CCC3)cc1-c1cc(F)cc(N2CCOCC2)c1,GPHVXBCTYXXRMC-UHFFFAOYSA-N
-rxn:5:193870:225872:229057,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn(C3CC3)c2)cc1-c1cc(F)c(F)c(N2CCCC2)c1,LLPSZQXXESJGEE-UHFFFAOYSA-N
-rxn:5:193870:226181:228066,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCO3)cc1-c1ccc(C2=CCCCC2)nc1,JXSTUSNIXZJXOS-UHFFFAOYSA-N
-rxn:5:193870:226215:228401,CO/N=C1\CCc2cc(-c3cc(-c4c(F)ccc(F)c4OC)c(S(=O)(=O)N4CCCCC4)cc3C)ccc21,XKUPUHLKMGJFIB-HMZBKAONSA-N
-rxn:5:193870:226364:227868,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCC3)cc1-c1ccc(N2CCCCC2)nc1,CWVOYGLIDAAWSM-UHFFFAOYSA-N
-rxn:5:193870:226366:227840,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C)c2C2CC2)cc1-c1ccnc(N2CCCCC2)c1,VTMSMRSIDOHIHB-UHFFFAOYSA-N
-rxn:5:193870:226366:227867,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCCC3)cc1-c1ccnc(N2CCCCC2)c1,DFCIDAAOEPYDMN-UHFFFAOYSA-N
-rxn:5:193870:226366:227868,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCC3)cc1-c1ccnc(N2CCCCC2)c1,FXJUOZJCFGAUFJ-UHFFFAOYSA-N
-rxn:5:193870:226366:228199,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(C3CCC3)nc2C)cc1-c1ccnc(N2CCCCC2)c1,MJRGSHGYYNTPQM-UHFFFAOYSA-N
-rxn:5:193870:226366:228204,Cc1cc(C#N)c(F)c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,XAEGQOVMDULPMD-UHFFFAOYSA-N
-rxn:5:193870:226395:227867,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCCC3)cc1-c1cncc(N2CCCCC2)c1,ZDFDAQAOQIWONW-UHFFFAOYSA-N
-rxn:5:193870:226412:228292,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc3c2OCCO3)cc1-c1cc(F)cc(N2CCCC2)c1,XVQCEIJUQAZNET-UHFFFAOYSA-N
-rxn:5:193870:226414:228234,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C3CC3)ccnc2F)cc1-c1ccc(C2=NCCCO2)cc1,FJEADYXANDGVNJ-UHFFFAOYSA-N
-rxn:5:193870:226431:228201,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCC3)nc2)cc1-c1ccc(N2CCCC2)c(F)c1,MPNKVSQGPFWXDG-UHFFFAOYSA-N
-rxn:5:193870:227491:223252,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)c3c(c2)NCCO3)cc1-c1cnc(OC2CCC2)nc1,SYTHYSXHMXBWHR-UHFFFAOYSA-N
-rxn:5:193870:227656:223146,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNCCO3)c2)cc1-c1cc(N2CCOCC2)cs1,CKVJWBJZDANWIA-UHFFFAOYSA-N
-rxn:5:193870:227964:226414,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3=NCCCO3)cc2)cc1-c1cncc(C2(C)CC2)c1,HJKPRSIZDLRYKV-UHFFFAOYSA-N
-rxn:5:193870:228234:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1c(C2CC2)ccnc1F,TVSUSVWIXBVUBH-UHFFFAOYSA-N
-rxn:5:193870:228505:226583,CCCc1ccc(-c2cc(-c3ccc(CN4CCOCC4)s3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1,QANNADMXCDAGNA-UHFFFAOYSA-N
-rxn:5:193870:228516:225639,CCc1cc(C)cc(-c2cc(-c3cccnc3N3CCC(C)CC3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,OCPZVXDRJNJOJW-UHFFFAOYSA-N
-rxn:5:193870:228883:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1cc(C#N)cnc1F,JSNJPKZOCVZUCZ-UHFFFAOYSA-N
-rxn:5:193892:227313:222958,CCC(C)c1cc(-c2ccc(N3C(=O)CSC(c4ccc(-c5ccc(C)c(C6CCNCC6)c5)cc4)C3=O)cc2)c(F)cn1,OFFASLLZRORFMC-UHFFFAOYSA-N
-rxn:5:193932:226883:227816,CCCc1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2c(F)ccc(C(F)(F)F)c2F)c(C)c1,FERDYHUOBSSEAP-UHFFFAOYSA-N
-rxn:5:193968:227717:226645,Fc1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3)c(CN3CCC4(CC3)OCCO4)c2)c(OC(F)F)c1,ACTXJZRTZDXCIG-UHFFFAOYSA-N
-rxn:5:193972:223218:223307,Cc1cc(-c2ccc3c(c2C)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)CCNC2,MNWOHJMNVHBLGU-UHFFFAOYSA-N
-rxn:5:193972:223218:228207,Cc1cc(-c2ccc3c(c2C)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CC2)cnc1F,HTPDSMHQYZKUHA-UHFFFAOYSA-N
-rxn:5:193972:223252:223307,Cc1cc(-c2cc(F)c3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)CCNC2,LRELIVBBBCCWJO-UHFFFAOYSA-N
-rxn:5:193972:223313:228211,Cc1cc(-c2ccc(C3(O)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCC2)cs1,QWESEAUODLGNOW-UHFFFAOYSA-N
-rxn:5:193972:225462:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N4CCC(C)CC4)c3)cc2C)c1,YHORTDCQQODBIM-UHFFFAOYSA-N
-rxn:5:193972:225470:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCC(C)CC4)cc3)cc2C)c1,IJUZOURWQZMMHX-UHFFFAOYSA-N
-rxn:5:193972:225633:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,RUSSHSJPBXXBKN-UHFFFAOYSA-N
-rxn:5:193972:225633:228981,CCc1cccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,GYSYVWAUAULGDM-UHFFFAOYSA-N
-rxn:5:193972:225655:228978,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCC(C)CC4)c3)cc2C)cc1,BIZCHEQGAAIQEO-UHFFFAOYSA-N
-rxn:5:193972:225802:229063,Cc1cc(-c2ccc(OC3CCCC3)nc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C#N,PMXZPPGKCILRSO-UHFFFAOYSA-N
-rxn:5:193972:225808:229060,Cc1cc(-c2cc(OC3CCCC3)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,GTQNIKWRWTVJRG-UHFFFAOYSA-N
-rxn:5:193972:225834:229063,Cc1cc(-c2cc(N3CCCCC3)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C#N,ZAHRWMKVQGJLBT-UHFFFAOYSA-N
-rxn:5:193972:225849:229018,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1C,MADCKXFFTQJCJE-UHFFFAOYSA-N
-rxn:5:193972:225886:227491,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(OC2CCC2)nc1,YFGKYGINRAPOMZ-UHFFFAOYSA-N
-rxn:5:193972:226364:228158,CCOc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)nc3)cc2C)c1,WPGSNQHMZZVRDR-UHFFFAOYSA-N
-rxn:5:193972:226364:228504,Cc1cc(-c2ccc(N3CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1CCC2,BLQWRDZSAHNQHC-UHFFFAOYSA-N
-rxn:5:193972:226366:228207,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CC2)cnc1F,IBBPGCVYFHNESR-UHFFFAOYSA-N
-rxn:5:193972:226366:228245,CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,PINVMAVCJRQXDX-UHFFFAOYSA-N
-rxn:5:193972:227458:228234,Cc1cc(-c2cnc3c(c2)OCCN3C)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C2CC2)ccnc1F,CZXVBWZVTRIQMW-UHFFFAOYSA-N
-rxn:5:193972:227684:222420,Cc1cc(-c2cnn(CC3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,YMIANPDUKJSDBL-UHFFFAOYSA-N
-rxn:5:193972:227706:228132,COc1cnc(C(F)F)c(-c2cc(C)c(-c3cccc(CC#N)c3F)cc2S(=O)(=O)N2CCCCCC2)c1,PLJVUTMTTLBLTB-UHFFFAOYSA-N
-rxn:5:193972:227807:227387,Cc1cc(-c2cccc3c2CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,BVRASHGWQXFYOM-UHFFFAOYSA-N
-rxn:5:193972:227868:226181,Cc1cc(-c2ccc3c(c2)OCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,BMQUJTNWTKXRBU-UHFFFAOYSA-N
-rxn:5:193972:228292:227413,Cc1cc(-c2ccnc3c2OCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCC2)cc1F,YWJDHMWIDPIFIL-UHFFFAOYSA-N
-rxn:5:193972:228292:227416,Cc1cc(-c2ccnc3c2OCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)nc(C2CCC2)c1,BQFFZIASAFBOLX-UHFFFAOYSA-N
-rxn:5:193972:228503:226366,Cc1cc(-c2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,QSGFZSSELIONJG-UHFFFAOYSA-N
-rxn:5:193972:228520:226366,Cc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C,CMCIESGQBILJDB-UHFFFAOYSA-N
-rxn:5:193972:228715:226366,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MZAVJIVCLOHDDY-UHFFFAOYSA-N
-rxn:5:193972:228715:226395,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,OAHAPYTXQREEJG-UHFFFAOYSA-N
-rxn:5:193972:228716:226366,Cc1cc(-c2cnc(C#N)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,FBHVDQVSWZGZFN-UHFFFAOYSA-N
-rxn:5:193972:228718:226366,Cc1cc(-c2cc(C#N)cnc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IHEKIPKICRJUHZ-UHFFFAOYSA-N
-rxn:5:193972:228718:226395,Cc1cc(-c2cc(C#N)cnc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,QAKOKKJXFBZKOU-UHFFFAOYSA-N
-rxn:5:193972:228722:226366,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IGWJDXUAFAVZGF-UHFFFAOYSA-N
-rxn:5:193972:228987:225652,Cc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCCC(C)C4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,ANNYMIYEHZWERQ-UHFFFAOYSA-N
-rxn:5:193972:229060:225636,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,ZVJLNYOHRNYOEZ-UHFFFAOYSA-N
-rxn:5:194058:225834:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCCCC2)ncc1F,JFNSFLZMCQZKQD-UHFFFAOYSA-M
-rxn:5:194658:225800:225469,CC1CCCN(c2ccc(-c3ccc4c(c3)CN(Cc3cccc(-c5ccc(C(=O)N6CCSC6)cc5)c3)C(=O)CO4)cc2)C1,VVPQVPKZSSKKRR-UHFFFAOYSA-N
-rxn:5:194660:225470:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2Cc3cc(-c4ccc(N5CCC(C)CC5)cc4)ccc3OCC2=O)cc1,MOSXLBPNUXCERC-UHFFFAOYSA-N
-rxn:5:194688:223061:226664,COc1cc(-c2cc(N3CCCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cc(C4CCNCC4)ncc3F)cc1)C2,JSZVOIIWXVDXKB-UHFFFAOYSA-N
-rxn:5:194733:226927:226205,COc1cc(-c2ccc(-c3c(C)c(C)c(C)c(C)c3C)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c2ncccc2c1,FLNKWJFXXBRZGW-UHFFFAOYSA-N
-rxn:5:194767:225655:227376,CC1CCN(c2cncc(-c3ccc(-c4cncc(N5CCCC5)c4)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c2)CC1,JDQDTVSSKOLTFD-UHFFFAOYSA-N
-rxn:5:194767:225976:225655,CC1CCN(c2cncc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)CC1,UZUVKEHGVSAWTG-UHFFFAOYSA-N
-rxn:5:194767:226645:227316,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,YTJSQWPMHRUUAK-UHFFFAOYSA-N
-rxn:5:194782:228334:223311,CCOc1cnc(F)c(-c2ccc(-c3cccc(C4CNC4)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,WAUAIRXCMHQXTG-UHFFFAOYSA-N
-rxn:5:194792:226382:222998,O=C1C2C(c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1,VTUHVOBWQWCLMM-UHFFFAOYSA-N
-rxn:5:194792:228269:228617,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6c(C)cccc6OC)cc5)C(=O)C34)cc2)c(F)cc1C,WPHWNCJNRIWYMZ-UHFFFAOYSA-N
-rxn:5:196174:225805:225805,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)cc(-c2ccc(C(C)N3CCOCC3)s2)c1S(N)(=O)=O,DKRHYJXLDCSJIU-UHFFFAOYSA-N
-rxn:5:196789:225879:225634,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2N2CCOCC2=O)cnc1N1CCCCC1,GPXQCZLWRFVUQB-UHFFFAOYSA-N
-rxn:5:196791:226395:223061,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1cc(C2CCNCC2)ncc1F,CLCFEKVTWJOFEF-UHFFFAOYSA-N
-rxn:5:196858:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cc(F)cc(C2CCCNC2)c1,LXSBVUNIEQJESC-UHFFFAOYSA-N
-rxn:5:196859:222986:223062,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCCNC2)n1,YMUABUOPDJZPIX-UHFFFAOYSA-N
-rxn:5:196859:226652:223064,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)n(C2CCCCO2)n1,CLTKMPMFTWUNAD-UHFFFAOYSA-N
-rxn:5:196870:225655:225985,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCOCC4)c3)c2)CC1,ADPHGYIYDPUSSO-UHFFFAOYSA-N
-rxn:5:196917:225985:226179,CC1(C)COC(c2cc(-c3cncc(C4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QTSZUGFTLVBFMF-UHFFFAOYSA-N
-rxn:5:196917:226172:225985,Cc1ccc(N2CCCC2)cc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1=NC(C)(C)CO1,JTHXCBDWKPNIMA-UHFFFAOYSA-N
-rxn:5:196917:226175:225985,Cc1cc(N2CCCC2)ccc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1=NC(C)(C)CO1,ATRCISSXQXBIBK-UHFFFAOYSA-N
-rxn:5:196917:226371:225985,Cc1cc(N2CCCC2)ncc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1=NC(C)(C)CO1,UOBCOLFVKCCRQN-UHFFFAOYSA-N
-rxn:5:196918:225639:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1c(-c2cccnc2N2CCC(C)CC2)cccc1N1CCCCC1=O,BLHOVDJFHANIGL-UHFFFAOYSA-N
-rxn:5:196919:225985:225655,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NC(C)(C)CO3)c2)CC1,BAICHVCQBJNYNI-UHFFFAOYSA-N
-rxn:5:196919:225985:226172,Cc1ccc(N2CCCC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NC(C)(C)CO1,WMZYAUQXCJJKFB-UHFFFAOYSA-N
-rxn:5:196919:225985:226175,Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NC(C)(C)CO1,ZMWXDLHCHALNTL-UHFFFAOYSA-N
-rxn:5:196919:225985:226371,Cc1cc(N2CCCC2)ncc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NC(C)(C)CO1,UNJKYPYUWBQWDA-UHFFFAOYSA-N
-rxn:5:196977:225985:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,WQCSKKKPYBNYKI-UHFFFAOYSA-N
-rxn:5:197876:223216:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CJCVMBXVGQSGAX-UHFFFAOYSA-N
-rxn:5:197876:226331:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IGWGMJUNMCOKSF-UHFFFAOYSA-N
-rxn:5:197876:227065:226085,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XDPSFVWVGGEYJY-UHFFFAOYSA-N
-rxn:5:197876:227311:223113,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,BHWGMHZGPKWTMZ-UHFFFAOYSA-N
-rxn:5:197876:227408:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cc(C3CCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JEKGOMNNSVCLEH-UHFFFAOYSA-N
-rxn:5:197876:227412:227024,CC(c1cccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,DIQRGBXSWXSNKR-UHFFFAOYSA-N
-rxn:5:197876:228227:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,HBHXHQFCPSVNQX-UHFFFAOYSA-N
-rxn:5:197876:228967:226155,CC(=O)c1cc(-c2cc3c(cc2-c2cn(C)nc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,JJYFRGUXDOHNNR-UHFFFAOYSA-N
-rxn:5:198559:225805:226661,CC(c1ccc(-c2ccc3c(c2)C(c2cc(N4CCN(C)CC4)cs2)=NS3(=O)=O)s1)N1CCOCC1,KAQASFSHCDUGHZ-UHFFFAOYSA-N
-rxn:5:199129:222981:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)cc2c1OCCN=C2,RTFPBKBYYVBQPN-UHFFFAOYSA-N
-rxn:5:199129:223061:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc2c1OCCN=C2,ZNLQBZAKMOWGOK-UHFFFAOYSA-N
-rxn:5:227863:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc3c(c2)CCCO3)CCC(=O)CC1,ZDVRQQYGQJZXQZ-UHFFFAOYSA-N
-rxn:5:227869:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4c(c3)CC(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,SDUGCTFIZCJTTR-UHFFFAOYSA-N
-rxn:5:227906:178295:227079,CCC(C)c1ncccc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NMFPTGITVANNAL-UHFFFAOYSA-N
-rxn:5:227906:178295:227540,CCC(C)c1ncccc1-c1ccc(-c2cc(SC)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PYIGLXQKMHVNCL-UHFFFAOYSA-N
-rxn:5:227909:178295:226772,CCC(C)c1cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,SPMHCYWLYNNZLM-UHFFFAOYSA-N
-rxn:5:227910:178295:228345,CCC(C)c1ccc(-c2ccc(-c3cc(C)sc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WNOYRPJCASBTGM-UHFFFAOYSA-N
-rxn:5:227912:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,IYPOFXWDSZMGBA-UHFFFAOYSA-N
-rxn:5:227917:178295:227311,CCc1ccc(OC)c(-c2ccc(-c3cnc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VWHBNEZBQKDTRN-UHFFFAOYSA-N
-rxn:5:227920:178295:227316,CCC(=O)c1ccc(-c2ccc(-c3cc(F)nc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,UZQSQIJBZJDZMN-UHFFFAOYSA-N
-rxn:5:227920:178295:227512,CCC(=O)c1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WZXIPVWJALEKDN-UHFFFAOYSA-N
-rxn:5:227922:178295:226603,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,VMNLWRATRDIQHO-UHFFFAOYSA-N
-rxn:5:227922:178295:227696,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(=O)OC)nc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XIQGZBZGIBNTIG-UHFFFAOYSA-N
-rxn:5:227925:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc(OC(C)C)c2)CCC(=O)CC1,HBLUDWZJHIBKOQ-UHFFFAOYSA-N
-rxn:5:227926:178295:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,VMDOSJQDEMLXTG-UHFFFAOYSA-N
-rxn:5:227928:178295:226926,CCOc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,SJUZJCXCNJCGKU-UHFFFAOYSA-N
-rxn:5:227933:178295:227345,CCc1ccc(OC)cc1-c1ccc(-c2ccc(OC(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,DJTKYJXXLZGOGU-UHFFFAOYSA-N
-rxn:5:227935:178295:226140,CCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,CEADGPGKQLPLOH-UHFFFAOYSA-N
-rxn:5:227935:178295:226916,CCc1cc(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,VEAYTSBNUMAEGX-UHFFFAOYSA-N
-rxn:5:227935:178295:227525,CCc1cc(-c2ccc(-c3cc(C(F)F)ncc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,JLIWSYIUHMSBIM-UHFFFAOYSA-N
-rxn:5:227939:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccccc3C(C)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,CBSHDGQQTXDNBT-UHFFFAOYSA-N
-rxn:5:227941:178295:223230,COCc1cc(C)cc(-c2ccc(-c3ccc(NC(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RNLCNICTXFNFSX-UHFFFAOYSA-N
-rxn:5:227976:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc([Si](C)(C)C)cc2)CCC(=O)CC1,FKEZFIBFBCJIRS-UHFFFAOYSA-N
-rxn:5:227983:178295:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2ccccc2[Si](C)(C)C)CCC(=O)CC1,HNEOTUGTHJGDMC-UHFFFAOYSA-N
-rxn:4:173357:222724,CCOC(=O)CC(=O)c1ccc(OC)c(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,ZKIBERNELBRPRF-UHFFFAOYSA-N
-rxn:4:173390:223831,COCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1C(C)=O,HMONAUDCVASKJB-UHFFFAOYSA-N
-rxn:4:173401:224719,COC(=O)C(C(=O)OC)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1OC,NQGADSFEMJEZJW-UHFFFAOYSA-N
-rxn:4:173456:222684,CC(C)(C)OC(=O)CC(=O)Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,OBNUSVBDZNFNGK-UHFFFAOYSA-N
-rxn:4:173532:224425,CCCC1CCC(c2ccccc2-c2cc(C(=O)OC(C)(C)C)ccc2OCC(C)C)CC1,GMEBUMFWVSPVOV-UHFFFAOYSA-N
-rxn:4:173650:222933,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cnc(NC(=O)OC(C)(C)C)nc3)c1)C2=O,GMNYRQFTDDRWQV-UHFFFAOYSA-N
-rxn:4:173680:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)C3CCCCC3)cc12,NLJBEBVWIBBFDT-UHFFFAOYSA-N
-rxn:4:173706:222540,CCCC(=O)c1cc2c(cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,SFNRJWXETDDWDN-UHFFFAOYSA-N
-rxn:4:173723:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,ONFFBSMVDCNANE-UHFFFAOYSA-N
-rxn:4:173723:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,KMMUVZJPPLUNAT-UHFFFAOYSA-N
-rxn:4:173723:224360,COC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)n1C(=O)OC(C)(C)C,SEBQCIGRNUTYRI-UHFFFAOYSA-N
-rxn:4:173802:222916,O=C(NC1=NCCS1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,CRHMKFIXLHGVBE-UHFFFAOYSA-N
-rxn:4:173802:223047,O=C(NC1CC1)c1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,XDJZQRBTPWACEI-UHFFFAOYSA-N
-rxn:4:173802:223092,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,NCKHHUXKRXFHKU-UHFFFAOYSA-N
-rxn:4:173802:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,GUCYNDNEMMHQLH-UHFFFAOYSA-N
-rxn:4:173802:224409,O=S(=O)(OC(c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,ZEXGWLGLVNOXSD-UHFFFAOYSA-N
-rxn:4:173802:225186,O=S(=O)(OC(c1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1)C(F)(F)F)C(F)(F)F,SRQZTGWJWQIGHE-UHFFFAOYSA-N
-rxn:4:173802:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,LHVYLUHTHRAYIF-UHFFFAOYSA-N
-rxn:4:173802:225308,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)cc1)C(F)(F)F)C(F)(F)F,PVKGQZKLGNMCDI-UHFFFAOYSA-N
-rxn:4:173802:225826,CN1CCN(c2cncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,QDJZNGVEAASDNN-UHFFFAOYSA-N
-rxn:4:173802:226050,O=S(=O)(OC(c1ccc(-c2c(F)cc(OC(F)(F)F)cc2F)cc1)C(F)(F)F)C(F)(F)F,PHEYHJFJSOQEQB-UHFFFAOYSA-N
-rxn:4:173803:222633,O=C(NCCN1CCCC1)c1ccc(-c2cc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)c2)cc1,SGLJMWYOAWNUOW-UHFFFAOYSA-N
-rxn:4:173889:223698,CCCC(=O)CSc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1,UROROMIDTMUMEW-UHFFFAOYSA-N
-rxn:4:174068:224392,CCOC(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1F,MWQGWKQLEGGOSZ-UHFFFAOYSA-N
-rxn:4:174164:222511,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cc1F,VGZPPWCVWATMNJ-UHFFFAOYSA-N
-rxn:4:174285:223831,COCc1c(-c2ccc(OC(F)(F)F)cc2)cccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,NXXNCHSMRHRELP-UHFFFAOYSA-N
-rxn:4:174406:224941,COC(=O)C1(c2ccc(-c3ccc(CCN4CCOCC4)cc3)cc2)CC(OC)(OC)C1,LABYZDAUQVFTJT-UHFFFAOYSA-N
-rxn:4:174446:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(-c2ccc(F)cc2)cc1OC(C)C,FZQFPTCVDAESNX-UHFFFAOYSA-N
-rxn:4:174495:223583,COC(=O)c1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC)c3)cn(C(=O)OC(C)(C)C)c2c1,JQJZGYACIFQNLA-UHFFFAOYSA-N
-rxn:4:174518:222906,CC(C)[Si](Oc1ccc(F)c(-c2cnccc2NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,OFHTWAKWHZIYSR-UHFFFAOYSA-N
-rxn:4:174528:224842,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2c(c1)C(C)(C)CCC2(C)C,JCGKXBWYWGOARO-UHFFFAOYSA-N
-rxn:4:174592:223842,COC(=O)c1c(C)oc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c(OCc3c(F)cccc3Cl)cc12,SCQLFIINIYLNHD-UHFFFAOYSA-N
-rxn:4:174593:223847,CCCCCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,YHCQSDVJFOSHTR-UHFFFAOYSA-N
-rxn:4:174603:224420,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1)C2=O,LVGREXYDSQMNRT-UHFFFAOYSA-N
-rxn:4:174656:222843,Cc1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c(C(=O)NC(C)(C)C)c1,QCWJHVRESDIKIS-UHFFFAOYSA-N
-rxn:4:174656:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c2)CC1,XDVXQFABPQXGIH-UHFFFAOYSA-N
-rxn:4:174746:223698,O=S(=O)(c1cc(-c2cc(OCC(F)F)cc(C(F)(F)F)c2)ccc1OC(F)(F)F)N1CCCC1,NNUBGJUIHGYBOC-UHFFFAOYSA-N
-rxn:4:175095:223873,Cc1ccc(-c2ccccc2CCC(=O)N2CCC(C)CC2)cc1OCC(F)(F)C(F)(F)F,JPPFRJBPBSPIJQ-UHFFFAOYSA-N
-rxn:4:175896:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)cc3OC3CCCCO3)c(F)c2)CC1,BCMDSMRTAQXWQO-DKFXBIDSSA-N
-rxn:4:176050:225221,COc1cc(C2OCCCO2)c(-c2cc(N3CCCC(C)C3)ncc2F)c(OC)c1OC,NHZNTTALDVKIJX-UHFFFAOYSA-N
-rxn:4:176182:223928,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C(C)C)c1,VCXHVLJIBQMHGP-UHFFFAOYSA-N
-rxn:4:176204:222724,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc(OC)c2OC1,JIEOCEXMIYHXDO-UHFFFAOYSA-N
-rxn:4:176254:222679,CCOc1ccc2c(c1)OC(=Cc1cc(-c3cc(NC(=O)OC(C)(C)C)ccc3OC)ccc1OC)C2=O,NPCCNEQVLNTLEY-UHFFFAOYSA-N
-rxn:4:176262:223888,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c1)C2=O,PGEVZAPWAADSNL-UHFFFAOYSA-N
-rxn:4:176269:223844,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc1)C2=O,QYJGBJUKFONOQZ-UHFFFAOYSA-N
-rxn:4:176306:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)cc2)cc1,BLEJDCSYYUMJDQ-UHFFFAOYSA-N
-rxn:4:176338:223559,C#Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(F)F,SEAROLGMCWQEMV-UHFFFAOYSA-N
-rxn:4:176444:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3C(F)(F)F)cc2)CC1,YGMKFVGQVAZYEO-IYARVYRRSA-N
-rxn:4:176911:223697,Cc1cccc(OCC(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,JGCJTOSXBFUGJY-UHFFFAOYSA-N
-rxn:4:176937:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC(F)(F)F)ccc3S(C)(=O)=O)cc2C)CC1,YHHAVFWHCLPQQH-UHFFFAOYSA-N
-rxn:4:177151:223559,CCC(=O)c1ccc(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ASNIZMZYPWCQOD-UHFFFAOYSA-N
-rxn:4:177179:223541,COC(=O)Cc1cc(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1F,CDSLZSPZCUANMB-UHFFFAOYSA-N
-rxn:4:177394:223954,CC(C)Oc1c(Cl)cc(C(F)(F)F)cc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,UTFTUMOCXLQGIA-UHFFFAOYSA-N
-rxn:4:177524:223521,CC(c1cccc(-c2ccc(OCC3CC(F)(F)C3)c(Cl)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NYUFDTUEAVWNKV-UHFFFAOYSA-N
-rxn:4:177838:223810,CCOc1ccc(C2OCCO2)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,DJYDEOQTLKHJSZ-UHFFFAOYSA-N
-rxn:4:178025:223815,COc1cc(C2OCCO2)cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1OC,GULHBCLIIZUOMC-UHFFFAOYSA-N
-rxn:4:178293:224059,COC(=O)C1(c2ccccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CCC(=O)CC1,AMVCSBJHGGIOTM-UHFFFAOYSA-N
-rxn:4:178307:223541,CC(C)(C)[Si](C)(C)Oc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CAJJFWRJTZOMDB-UHFFFAOYSA-N
-rxn:4:178381:223738,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)c(C(C)(C)C)c1,PNZLRBSPKCLOAG-UHFFFAOYSA-N
-rxn:4:178382:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,WFWOFTSDOFWEQL-UHFFFAOYSA-N
-rxn:4:178384:225226,CC1CCN(c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(F)cn2)CC1,VUZVPSMJNNDSNS-UHFFFAOYSA-N
-rxn:4:178384:225833,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1N1CCCCC1,BBYSGKJGQSWEIA-UHFFFAOYSA-N
-rxn:4:178384:227247,CCCOc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IZWQDJCMSQXXCJ-UHFFFAOYSA-N
-rxn:4:178384:229025,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)n1C,ZRYYXPRMYFPLFI-UHFFFAOYSA-N
-rxn:4:178384:229175,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1Cl,TWRKGCPOUDGWAT-UHFFFAOYSA-N
-rxn:4:178457:223996,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)ccc2OC1,JHZZKJRUQWZRFI-UHFFFAOYSA-N
-rxn:4:178597:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XGYMOLYNKNMTCJ-UHFFFAOYSA-N
-rxn:4:178597:227503,CC(C)Oc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)cn1,RDQVKPURBQMEBR-UHFFFAOYSA-N
-rxn:4:178597:227956,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C(C)C)n1,BQOARJIXNCRTOW-UHFFFAOYSA-N
-rxn:4:179427:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C(=O)C4CC4)c(F)c3)c(F)c2)CC1,DTJGRBSPAUGEOS-UHFFFAOYSA-N
-rxn:4:179718:223606,COc1c(F)c(SC)cc(C)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,WOGSSNIISOUWFZ-UHFFFAOYSA-N
-rxn:4:179900:223599,CC(C)(C)OC(=O)n1c(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc2cc(C(F)(F)F)ccc21,HCTZQQKPLCXHBG-UHFFFAOYSA-N
-rxn:4:180792:222850,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCNCC4)ccc3C#N)cc1C2=O,DIHAZZXTDCSWTQ-UHFFFAOYSA-N
-rxn:4:180855:223903,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4CCC(=O)N4CCC(=O)CC4)cc31)c1cc(C(C)(C)C)ccc1-2,VVXXUDSXHVIVFT-UHFFFAOYSA-N
-rxn:4:181543:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4COC4)cc3F)cc(C(F)(F)F)c2)CC1,QEKOXRGZOJTMMO-UHFFFAOYSA-N
-rxn:4:181768:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4=CC(=O)C=CC4=O)cc3)c(F)cc2C)CC1,MKXNDBWZMGSJDP-UHFFFAOYSA-N
-rxn:4:182359:224666,COC1CCC2(CC1)Oc1ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc1C2=O,BGZRJYGFJJIXNF-UHFFFAOYSA-N
-rxn:4:182360:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc3c(c2)C(=O)CC(C2CCCOC2)O3)c1,IBTIKJWFDNWWFF-UHFFFAOYSA-N
-rxn:4:182376:222776,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3C2=O)C[C@@H]1C,ZKXURUNOVXCLEW-UBHXRJOGSA-N
-rxn:4:182376:222850,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3C2=O)C[C@@H]1C,ZWLRDLQYGLEWPQ-UBHXRJOGSA-N
-rxn:4:182376:224883,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCCCC5)cc4)cc3C2=O)C[C@@H]1C,SZLOLENGIGCBQC-SVQDFSSBSA-N
-rxn:4:182407:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc2)CC1,HTBGAXWWCHUWHY-UHFFFAOYSA-N
-rxn:4:182409:222623,CCC(C)c1cc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)cc(C2CCNCC2)n1,RWQNGPBXTKDGKT-UHFFFAOYSA-N
-rxn:4:182416:223275,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3ncc[nH]3)nc2)cc1,ILBRSJNSBKEXKY-UHFFFAOYSA-N
-rxn:4:182681:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OC(F)(F)O4)c2)CC1,PNVQMQLRBYBYDU-UHFFFAOYSA-N
-rxn:4:183111:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)C(=O)OC4(C)C)cc(C(F)(F)F)c2)CC1,NYMUZWLTBRHMFW-UHFFFAOYSA-N
-rxn:4:183123:223596,Cc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c2c1OCCC2=O,VLDWYCNLNRLYAR-UHFFFAOYSA-N
-rxn:4:183196:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OCC(F)(F)C(F)(F)CO4)cc2Cl)CC1,VRRMFNHFFPCKHB-UHFFFAOYSA-N
-rxn:4:183273:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,FSEXZOQJLTZJTF-UHFFFAOYSA-N
-rxn:4:183273:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BQQKXSZVYYPSPF-QVYRIUEQSA-N
-rxn:4:183273:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WXHSYICRZOZTHD-UHFFFAOYSA-N
-rxn:4:183273:222397,O=C(NCCc1c[nH]cn1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VCAGIFXEHNBWCH-UHFFFAOYSA-N
-rxn:4:183273:222398,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1NC(=O)NC1CC1,NSFALDWXNZMIHH-UHFFFAOYSA-N
-rxn:4:183273:222400,O=C(Nc1nnn[nH]1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GIQZFSZUEHPCAB-UHFFFAOYSA-N
-rxn:4:183273:222401,O=C(Nc1nnn[nH]1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YLAGXPNRVQGQLI-UHFFFAOYSA-N
-rxn:4:183273:222403,CC(C)NC(=S)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WUWJMNFNYRTBQT-UHFFFAOYSA-N
-rxn:4:183273:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FYPIJBMLBUJVJV-UHFFFAOYSA-N
-rxn:4:183273:222415,NS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,UXYILLWLVYPCDN-UHFFFAOYSA-N
-rxn:4:183273:222418,NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,ZOOPAUJFNABMPN-UHFFFAOYSA-N
-rxn:4:183273:222421,NS(=O)(=O)c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LINWLSDQQTZDJN-UHFFFAOYSA-N
-rxn:4:183273:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SMDOADDLBIRXLS-UHFFFAOYSA-N
-rxn:4:183273:222437,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HJNRMSJKMUDQQY-UHFFFAOYSA-N
-rxn:4:183273:222453,O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KKARAELFIYBQGQ-UHFFFAOYSA-N
-rxn:4:183273:222456,O=C(Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)c1ccc(C(F)(F)F)cc1,LBUFFXHYCSNYCZ-UHFFFAOYSA-N
-rxn:4:183273:222463,c1ccc2c(NCc3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cccc2c1,VJLNMXVOHQTJFH-UHFFFAOYSA-N
-rxn:4:183273:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,SRZBUBRIKJLORR-UHFFFAOYSA-N
-rxn:4:183273:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,JDCCIWAQNIGYLL-UHFFFAOYSA-N
-rxn:4:183273:222497,O=C(Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl)OCc1ccccc1,VIWQRLCPBPWAFP-UHFFFAOYSA-N
-rxn:4:183273:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,VPEBEDCBOBCXSK-UHFFFAOYSA-N
-rxn:4:183273:222511,O=C(NC1CCCCC1)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,LQRYSIAZXAJPQH-UHFFFAOYSA-N
-rxn:4:183273:222525,c1ccc(COc2ccc3cc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)[nH]c3c2)cc1,ABSARBXLBOTSNM-UHFFFAOYSA-N
-rxn:4:183273:222528,O=C(NCCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,YUPAJZHZMPFNFW-UHFFFAOYSA-N
-rxn:4:183273:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c(C)c1,YIEDWANKZGTBLC-UHFFFAOYSA-N
-rxn:4:183273:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,XENDXRKNJNMIMZ-UHFFFAOYSA-N
-rxn:4:183273:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,JWZFIOCQSKLQGH-UHFFFAOYSA-N
-rxn:4:183273:222548,N#Cc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,FCYDRXPRMHHJAV-UHFFFAOYSA-N
-rxn:4:183273:222555,COc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,YPJYSLOKVYPAQS-UHFFFAOYSA-N
-rxn:4:183273:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c(Cl)c1,VSDHCXUNJDRYBB-UHFFFAOYSA-N
-rxn:4:183273:222577,Cc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1Cl,BRBOJMIDCXJSEV-UHFFFAOYSA-N
-rxn:4:183273:222580,O=S(=O)(NC1CC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc12,OYEILBJYZFRLPX-UHFFFAOYSA-N
-rxn:4:183273:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,MLCYBLNQWCMKEB-UHFFFAOYSA-N
-rxn:4:183273:222608,O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,NAOQFYRJAKLKLS-UHFFFAOYSA-N
-rxn:4:183273:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,TUQLCVZHVSQXGY-UHFFFAOYSA-N
-rxn:4:183273:222625,Cc1ccc(NC(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,DPJIBWJMTCMNKO-UHFFFAOYSA-N
-rxn:4:183273:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OLVCHPIUMGCSGB-DEOSSOPVSA-N
-rxn:4:183273:222641,O=C(NCc1ccccn1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,UNMWWKXRYUQXHH-UHFFFAOYSA-N
-rxn:4:183273:222644,O=C(NCc1ccccn1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,DLSFZHOWQPVUII-UHFFFAOYSA-N
-rxn:4:183273:222650,Cc1ccnc(NC(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,PPGMDCXKWJHSLR-UHFFFAOYSA-N
-rxn:4:183273:222655,O=C(NC1CCCCC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,GVLOGFVDTVRXLU-UHFFFAOYSA-N
-rxn:4:183273:222659,O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,ZFXVRUNVOGYIHL-UHFFFAOYSA-N
-rxn:4:183273:222667,O=C(Nc1cccc(F)c1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GTAUEAMVWGEQNQ-UHFFFAOYSA-N
-rxn:4:183273:222671,O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SBOOGOYNGGXBCX-UHFFFAOYSA-N
-rxn:4:183273:222675,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1NC(=O)OC(C)(C)C,ZHPXIZJZQNMJHY-UHFFFAOYSA-N
-rxn:4:183273:222691,O=C(Nc1ccccn1)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QPXYZNQBAINRAT-UHFFFAOYSA-N
-rxn:4:183273:222731,O=C(Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)c1ccccc1,TZXORZJPSOWPKX-UHFFFAOYSA-N
-rxn:4:183273:222733,O=C(Nc1ccccc1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WHHNKDNCNPAAQS-UHFFFAOYSA-N
-rxn:4:183273:222736,Fc1ccc(NCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,VWCFSEDFPBFFNF-UHFFFAOYSA-N
-rxn:4:183273:222739,Fc1cccc(CNc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,SUFLDLAHYBPOCZ-UHFFFAOYSA-N
-rxn:4:183273:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,MBQLFXZTUFICMK-UHFFFAOYSA-N
-rxn:4:183273:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YCNWUSVGZDXJTF-UHFFFAOYSA-N
-rxn:4:183273:222751,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1NC(=O)OC(C)(C)C,XAVZMYOGOORZIE-UHFFFAOYSA-N
-rxn:4:183273:222755,O=C(NCc1cccs1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KJRHJTCSLFYRPT-UHFFFAOYSA-N
-rxn:4:183273:222758,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1NC(=O)OC(C)(C)C,XLLHUZIWMYKMHS-UHFFFAOYSA-N
-rxn:4:183273:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QWOOCXKYWVFJNV-UHFFFAOYSA-N
-rxn:4:183273:222761,O=C(Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)c1ccncc1,HMTSWEPBOKWJFU-UHFFFAOYSA-N
-rxn:4:183273:222764,O=C(Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)c1cccnc1,ZLOGIVHZCILJHC-UHFFFAOYSA-N
-rxn:4:183273:222768,O=C(Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)c1ccncc1,INAFHSKERKWSPG-UHFFFAOYSA-N
-rxn:4:183273:222771,O=C(NC1CCCC1)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,JCCZKZMTXUPWSQ-UHFFFAOYSA-N
-rxn:4:183273:222799,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1S(=O)(=O)NC(C)(C)C,FVPCKRKIEZOWNZ-UHFFFAOYSA-N
-rxn:4:183273:222801,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1S(=O)(=O)NC(C)(C)C,BSZIEXLFNIAKSG-UHFFFAOYSA-N
-rxn:4:183273:222806,CCCNC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,HYXPHCGGHBZDDQ-UHFFFAOYSA-N
-rxn:4:183273:222808,CC(C)NC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,FTYMPWAUAYAZAK-UHFFFAOYSA-N
-rxn:4:183273:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GQDXFYKBWMFVQA-UHFFFAOYSA-N
-rxn:4:183273:222830,c1ccc(NCc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,XZPDVZGXLCWKMS-UHFFFAOYSA-N
-rxn:4:183273:222831,c1ccc(NCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,IKHIEUPNUDCWMW-UHFFFAOYSA-N
-rxn:4:183273:222832,c1ccc(NCc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,WCKVSLLSHGGBMK-UHFFFAOYSA-N
-rxn:4:183273:222835,CC(C)CC(=O)NCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QVRXPNZKQGNIHZ-UHFFFAOYSA-N
-rxn:4:183273:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GOFTXSLTLPNIOI-UHFFFAOYSA-N
-rxn:4:183273:222844,O=C(Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)C1CCCC1,FUBSVHLFPSWZDS-UHFFFAOYSA-N
-rxn:4:183273:222845,CC(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCNCC1,DBOSIPNFKPWPFO-UHFFFAOYSA-N
-rxn:4:183273:222852,OC1CCN(Cc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,SCACEKHCEUQGKZ-UHFFFAOYSA-N
-rxn:4:183273:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QMFBZJMDMWVTPW-UHFFFAOYSA-N
-rxn:4:183273:222865,CCCCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,HXKZZILBHVRZGQ-UHFFFAOYSA-N
-rxn:4:183273:222866,CC(C)(C)OC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QUUMAHQDWVPGFZ-UHFFFAOYSA-N
-rxn:4:183273:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RBZRREGSCATHRW-UHFFFAOYSA-N
-rxn:4:183273:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NFYGKIVXONZIJQ-UHFFFAOYSA-N
-rxn:4:183273:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cs1,RYCFJOPHYHZWNR-UHFFFAOYSA-N
-rxn:4:183273:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CBFVAGWVECTCBN-UHFFFAOYSA-N
-rxn:4:183273:222904,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,GUEDDCQGMVSNBX-UHFFFAOYSA-N
-rxn:4:183273:222914,O=C(Nc1nccs1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TZDBCEMOVPEIBK-UHFFFAOYSA-N
-rxn:4:183273:222934,CCNC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,SUPZIPRVNLHSEP-UHFFFAOYSA-N
-rxn:4:183273:222938,O=C(NCC(F)(F)F)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GZVNGDJWBDCAHJ-UHFFFAOYSA-N
-rxn:4:183273:222939,O=C(Nn1cnnc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,ZLJRYCZCIDHGRY-UHFFFAOYSA-N
-rxn:4:183273:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C,JGRDVMZBAJCCGF-UHFFFAOYSA-N
-rxn:4:183273:222957,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCNC2)c1,DTGRYYHETWWGHM-UHFFFAOYSA-N
-rxn:4:183273:222962,CCCCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LHHLHRCIWDRBNT-UHFFFAOYSA-N
-rxn:4:183273:222966,CC(C)(C)CNCc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,HCSHUHQJGKSXHK-UHFFFAOYSA-N
-rxn:4:183273:222967,CC(C)CNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YWWHWQRBGXPVHT-UHFFFAOYSA-N
-rxn:4:183273:222968,CC(C)CNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,JVPRHNLNUKWFND-UHFFFAOYSA-N
-rxn:4:183273:222976,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C(=O)NC1CC1,KRRFMLNIYSOLBR-UHFFFAOYSA-N
-rxn:4:183273:222978,O=C(NC1CCC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QFKHELGEEWPTDJ-UHFFFAOYSA-N
-rxn:4:183273:222979,c1ccc(Nc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)nc1,QZONEHMRVOTJIU-UHFFFAOYSA-N
-rxn:4:183273:222980,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1CN1CCNCC1,BYCJSUJQEGRDMG-UHFFFAOYSA-N
-rxn:4:183273:222981,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(NC2CCCCC2)n1,NZRNSLCCBXGTNO-UHFFFAOYSA-N
-rxn:4:183273:222982,O[C@@H]1CCN(Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)C1,YIWIZMCOWLPBPS-HHHXNRCGSA-N
-rxn:4:183273:223013,COC(=O)c1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)[nH]c2c1,XJBWMFAKPKDQOO-UHFFFAOYSA-N
-rxn:4:183273:223017,COC(=O)c1cccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)[nH]c12,FJIOOMLHTURNCP-UHFFFAOYSA-N
-rxn:4:183273:223019,N#CCCNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QQMMRYFNNXFVQR-UHFFFAOYSA-N
-rxn:4:183273:223021,COCCNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GRENLHXTYWFROC-UHFFFAOYSA-N
-rxn:4:183273:223022,COCCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LKWDXYXPQIEVHP-UHFFFAOYSA-N
-rxn:4:183273:223024,CCCNC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,YVVPIRCNTXPQQT-UHFFFAOYSA-N
-rxn:4:183273:223025,CCCNC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1Cl,ZPMIISAQJWJMPA-UHFFFAOYSA-N
-rxn:4:183273:223028,CCCNC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,FQDWHZLOABLVLH-UHFFFAOYSA-N
-rxn:4:183273:223046,O=C(NC1CC1)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,UUCSNNXAWMGIAS-UHFFFAOYSA-N
-rxn:4:183273:223066,COC(=O)c1n[nH]c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,DKMLLOOLLHRBAC-UHFFFAOYSA-N
-rxn:4:183273:223067,CC(=O)Nc1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2s1,ROEUSNIPBORWEA-UHFFFAOYSA-N
-rxn:4:183273:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cs1,JIZFLWUXRABFHB-UHFFFAOYSA-N
-rxn:4:183273:223071,CCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VPERZUBMMINNPN-UHFFFAOYSA-N
-rxn:4:183273:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YNIJUKQQPKQFTO-UHFFFAOYSA-N
-rxn:4:183273:223094,CC(=O)Nc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1[N+](=O)[O-],MZSILOUOGSEVRV-UHFFFAOYSA-N
-rxn:4:183273:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XPHXUEFTQIBXAA-UHFFFAOYSA-N
-rxn:4:183273:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HPXWQWNIDUOMRC-UHFFFAOYSA-N
-rxn:4:183273:223104,O=C(Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)C(F)(F)F,LYAPTEVOXYZNRE-UHFFFAOYSA-N
-rxn:4:183273:223108,CC(C)CNCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GFSXOHIJRKWGED-UHFFFAOYSA-N
-rxn:4:183273:223117,CCCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KDFCATVVMYTFJF-UHFFFAOYSA-N
-rxn:4:183273:223118,CCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ICRZOOMFIZAMJR-UHFFFAOYSA-N
-rxn:4:183273:223123,CC(C)C(=O)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LYNZUWFQCMUSQF-UHFFFAOYSA-N
-rxn:4:183273:223126,O=C(Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)C1CC1,RHIWDJGIMACSSM-UHFFFAOYSA-N
-rxn:4:183273:223132,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCNCC2)c1,MUGKRELNUXJVRK-UHFFFAOYSA-N
-rxn:4:183273:223143,OC1CCN(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)C1,QZEFCFNGLOXPTO-UHFFFAOYSA-N
-rxn:4:183273:223146,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CNCCO2)c1,IAADBRGAQNJKAV-UHFFFAOYSA-N
-rxn:4:183273:223151,N#CCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,XFAGSYNXCJPMOW-UHFFFAOYSA-N
-rxn:4:183273:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JZEZQHCAAIELJK-UHFFFAOYSA-N
-rxn:4:183273:223156,CCNC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XPXAHQOKHFEZHE-UHFFFAOYSA-N
-rxn:4:183273:223157,CCNC(=O)c1cc(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SXEXMKLBQZGDBA-UHFFFAOYSA-N
-rxn:4:183273:223163,CCNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,ACXVCALNOCTORD-UHFFFAOYSA-N
-rxn:4:183273:223172,O=[N+]([O-])c1ccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,WHRKMCGQSNPOOB-UHFFFAOYSA-N
-rxn:4:183273:223185,c1cc2c(cc1-c1cnc(C3CNCCO3)nc1)OCCOCCOCCOCCOCCOCCO2,NROGVFHOTYXYKN-UHFFFAOYSA-N
-rxn:4:183273:223206,N#Cc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)[nH]c2c1,FQIAXGHYDQKZDS-UHFFFAOYSA-N
-rxn:4:183273:223208,COc1ccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,DKEYIZKGWNCMRA-UHFFFAOYSA-N
-rxn:4:183273:223210,COc1cccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,LCHAIFJTMQSCPM-UHFFFAOYSA-N
-rxn:4:183273:223218,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc2c1NCCO2,URKRSNZEVXJIAE-UHFFFAOYSA-N
-rxn:4:183273:223226,CCC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BKVOYYOSRHDHLC-UHFFFAOYSA-N
-rxn:4:183273:223258,COC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IACSTBNCHWLUSH-UHFFFAOYSA-N
-rxn:4:183273:223297,Cc1ccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,VWHYPPBHWKNVGV-UHFFFAOYSA-N
-rxn:4:183273:223301,Cc1cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2[nH]1,ZGCAQTJTQIEJQK-UHFFFAOYSA-N
-rxn:4:183273:223309,CC(C)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IYFVKJQJJGEGIF-UHFFFAOYSA-N
-rxn:4:183273:223316,Cc1n[nH]c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,ORDHMSJCWDABGK-UHFFFAOYSA-N
-rxn:4:183273:223324,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2[nH]ncc12,KLYKCOWZLZHPDG-UHFFFAOYSA-N
-rxn:4:183273:223356,CNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,CXNULPZQUWDZAC-UHFFFAOYSA-N
-rxn:4:183273:223358,CC(=O)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,WDAYGYZBOJLYKR-UHFFFAOYSA-N
-rxn:4:183273:223368,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cn[nH]c12,WOMPZLJOZVTSFE-UHFFFAOYSA-N
-rxn:4:183273:223372,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2[nH]ncc12,BPMJIHRERBSYEF-UHFFFAOYSA-N
-rxn:4:183273:223425,ON=Cc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AOAKTHCJVAWGLI-UHFFFAOYSA-N
-rxn:4:183273:223426,O/N=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BFJUQEBBVLOMLT-LHLOQNFPSA-N
-rxn:4:183273:223427,O/N=C/c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AOAKTHCJVAWGLI-LHLOQNFPSA-N
-rxn:4:183273:223428,O/N=C\c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OBGDNKCBCMQYIU-QOMWVZHYSA-N
-rxn:4:183273:223442,CNc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,UKZXXJCDHCCPOG-UHFFFAOYSA-N
-rxn:4:183273:223475,CC(C)(C)[Si](Oc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)(c1ccccc1)c1ccccc1,SLEMSNDSDHHWHA-UHFFFAOYSA-N
-rxn:4:183273:223476,c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,JEWHBWPWEMRDTR-UHFFFAOYSA-N
-rxn:4:183273:223485,c1ccc(N(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c2ccc3ccccc3c2)cc1,QPUFNTBFGUSZFZ-UHFFFAOYSA-N
-rxn:4:183273:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IBRDUMDFUDQHHU-UHFFFAOYSA-N
-rxn:4:183273:223488,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cc(Oc3ccccc3)ccc21,WZHFSZHZXXAYKZ-UHFFFAOYSA-N
-rxn:4:183273:223509,CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3)cc21,MMMALLXXKTYVIS-UHFFFAOYSA-N
-rxn:4:183273:223510,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cc21,AHKKJZMGEWDNML-UHFFFAOYSA-N
-rxn:4:183273:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,DSOUEFZHZRHOQM-UHFFFAOYSA-N
-rxn:4:183273:223515,Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,CMIHHWASFIRSQS-UHFFFAOYSA-N
-rxn:4:183273:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AZFQVPUTPZSQJF-UHFFFAOYSA-N
-rxn:4:183273:223548,C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HNVUIPQZZSQWAE-UHFFFAOYSA-N
-rxn:4:183273:223552,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-n2c3ccccc3c3ccccc32)c1,JHWJEHDJUKJZFS-UHFFFAOYSA-N
-rxn:4:183273:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QHBDMJZLKLSNEQ-UHFFFAOYSA-N
-rxn:4:183273:223563,COc1cc(COc2c(C)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C)cc(OC)c1,HWSGWAQTROMKGA-UHFFFAOYSA-N
-rxn:4:183273:223571,O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,PDXOLYWGNQDEGZ-UHFFFAOYSA-N
-rxn:4:183273:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c3ccccc23)CC1,ZKBHQINTGDIAAH-UHFFFAOYSA-N
-rxn:4:183273:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc3c(c1)OCCOCCOCCOCCOCCOCCO3)n2C(=O)OC(C)(C)C,MKQGFOOWSMNKPW-UHFFFAOYSA-N
-rxn:4:183273:223586,COc1ccc(COc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C(F)(F)F)c2)cc1,GJEVMBVZWMQGMH-UHFFFAOYSA-N
-rxn:4:183273:223626,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,BWMQWHRAUVLUQE-UHFFFAOYSA-N
-rxn:4:183273:223627,c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,TZCCVHXAEQLCPU-UHFFFAOYSA-N
-rxn:4:183273:223629,Clc1ccc(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c2ccccc12,XUSAYKUQTUONLH-UHFFFAOYSA-N
-rxn:4:183273:223631,Clc1c(OCc2ccccc2)ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,KODKBNZUQDSZJW-UHFFFAOYSA-N
-rxn:4:183273:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc3ccccc32)cc1,FDJKJVWSBQZSKN-UHFFFAOYSA-N
-rxn:4:183273:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,HAYSPNBBODKXKE-UHFFFAOYSA-N
-rxn:4:183273:223662,O=C(OCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1,PQTQGCIXFWNHQZ-UHFFFAOYSA-N
-rxn:4:183273:223665,FC(F)(F)Oc1ccc(OCc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KBMCGTWLBSMXCL-UHFFFAOYSA-N
-rxn:4:183273:223681,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cc([N+](=O)[O-])ccc21,OGKRTJREXQCQIN-UHFFFAOYSA-N
-rxn:4:183273:223690,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1S(=O)(=O)c1ccc(C)cc1,MXSCJYHCFWQVHJ-UHFFFAOYSA-N
-rxn:4:183273:223696,O=S(=O)(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCC2(CC1)OCCO2,NJWYGYZQINEUGU-UHFFFAOYSA-N
-rxn:4:183273:223698,O=S(=O)(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC(F)(F)F)N1CCCC1,WPCDUOVYYUVTRB-UHFFFAOYSA-N
-rxn:4:183273:223715,c1ccc2c(OCc3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cccc2c1,OEGJXDLYMARCFX-UHFFFAOYSA-N
-rxn:4:183273:223716,c1ccc(COc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc3ccccc23)cc1,PHRZPRXNCLLXNU-UHFFFAOYSA-N
-rxn:4:183273:223717,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(COc2cccc3ccccc23)c1,VBLVNRJMWJSLFE-UHFFFAOYSA-N
-rxn:4:183273:223718,c1ccc(COc2ccc3ccccc3c2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,MGPMZJOGTIBUOQ-UHFFFAOYSA-N
-rxn:4:183273:223721,c1cc(COc2cccc3ccccc23)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,KKSVHRKWLQKCII-UHFFFAOYSA-N
-rxn:4:183273:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KQQSOGUIZALPGJ-UHFFFAOYSA-N
-rxn:4:183273:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,FHGXJWXONJMCEB-UHFFFAOYSA-N
-rxn:4:183273:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,RJXPYOPCPUCJIF-UHFFFAOYSA-N
-rxn:4:183273:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BEALAYCGAZSFDQ-UHFFFAOYSA-N
-rxn:4:183273:223745,CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SWDDOHONWBGOJZ-UHFFFAOYSA-N
-rxn:4:183273:223746,COC(=O)c1ccc(C#Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,AFECKFJCFXHJRX-UHFFFAOYSA-N
-rxn:4:183273:223760,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC)cc1OCc1ccccc1,POMLFLAQHXFVBH-UHFFFAOYSA-N
-rxn:4:183273:223762,COC(=O)c1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)n(Cc2ccccc2)c1C,QDSITZQORMYPLZ-UHFFFAOYSA-N
-rxn:4:183273:223763,c1ccc(Cc2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)no2)cc1,QRDAEBRBUYIMLT-UHFFFAOYSA-N
-rxn:4:183273:223765,Cc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)no2)cc1,ZCEZDYQFLXTWSY-UHFFFAOYSA-N
-rxn:4:183273:223778,O=S(=O)(c1ccccc1)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2ccccc21,PLRSOUCUNHNKMM-UHFFFAOYSA-N
-rxn:4:183273:223779,O=S(=O)(c1ccccc1)n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc21,SUHIYLWJFKAQDF-UHFFFAOYSA-N
-rxn:4:183273:223780,O=S(=O)(c1ccccc1)n1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,MQNQYJOMSBEXRD-UHFFFAOYSA-N
-rxn:4:183273:223781,O=S(=O)(c1ccccc1)n1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,VUIKIWRZGKDDSV-UHFFFAOYSA-N
-rxn:4:183273:223782,O=S(=O)(c1ccccc1)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,QDRSMQCJDHMCDY-UHFFFAOYSA-N
-rxn:4:183273:223783,O=S(=O)(c1ccccc1)n1ccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,OGZOXZYHJDGCHY-UHFFFAOYSA-N
-rxn:4:183273:223794,FC(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,FNTZCUOMJBKTOL-UHFFFAOYSA-N
-rxn:4:183273:223849,CCCCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,BGRWHBHQGWPLBP-UHFFFAOYSA-N
-rxn:4:183273:223857,CCCCn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,ANPTVVDVTOWSJN-UHFFFAOYSA-N
-rxn:4:183273:223861,CCCCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,VJYULGDBRMGRQC-UHFFFAOYSA-N
-rxn:4:183273:223863,CC(C)COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,NCVBODLJOKNDSY-UHFFFAOYSA-N
-rxn:4:183273:223892,CN1CCN(CCCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,HXSMHJIOFIEFTF-UHFFFAOYSA-N
-rxn:4:183273:223909,O=C(OCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1F,XZHQVJVEAVQDGU-UHFFFAOYSA-N
-rxn:4:183273:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JABPLABDJRVLOX-UHFFFAOYSA-N
-rxn:4:183273:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CUUOYYGLZGFLCM-UHFFFAOYSA-N
-rxn:4:183273:223937,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cccc(Cl)c21,ZUFUCNUMPBNKHP-UHFFFAOYSA-N
-rxn:4:183273:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FYHDFALZTCJQLR-UHFFFAOYSA-N
-rxn:4:183273:223979,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1)N1CCCCC1,QBJZXKXNLJTTOY-UHFFFAOYSA-N
-rxn:4:183273:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,TYWNDYFTHNNQIW-UHFFFAOYSA-N
-rxn:4:183273:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,ISWXZQKAJWDNKS-UHFFFAOYSA-N
-rxn:4:183273:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,HTDSTEBFUULJLL-UHFFFAOYSA-N
-rxn:4:183273:224008,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1)N1CCOCC1,SXHKNFTUMGNBES-UHFFFAOYSA-N
-rxn:4:183273:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GIRUZICSMANUSP-UHFFFAOYSA-N
-rxn:4:183273:224034,CCCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,HGXHTACPNLLTIM-UHFFFAOYSA-N
-rxn:4:183273:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,PWFPLHROJARTPN-OGESRWMOSA-N
-rxn:4:183273:224036,CC(C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,LDFGWMIXVJEYEN-UHFFFAOYSA-N
-rxn:4:183273:224040,c1ccc(Cn2ccc3cc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)ccc32)cc1,MNALPOUPRMLQQU-UHFFFAOYSA-N
-rxn:4:183273:224042,c1ccc2c(c1)CCN2Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HFOMHJTUHAYDOP-UHFFFAOYSA-N
-rxn:4:183273:224048,CCCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,AGBUFFNQKVOQGV-UHFFFAOYSA-N
-rxn:4:183273:224054,CC(C)Oc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,NCAMEPALLYFDHN-UHFFFAOYSA-N
-rxn:4:183273:224069,CC(C)(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2ccccn2)c1,BBYUUGDNZDILLS-UHFFFAOYSA-N
-rxn:4:183273:224071,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QOYQLIVFIJBAAJ-UHFFFAOYSA-N
-rxn:4:183273:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,CGFISCUKKXUUPP-UHFFFAOYSA-N
-rxn:4:183273:224079,Cc1ccc2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cn2c1,QMVIJQZJXFYMAE-UHFFFAOYSA-N
-rxn:4:183273:224084,N#Cc1cccc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,CNYULHKRHURFIQ-UHFFFAOYSA-N
-rxn:4:183273:224085,N#Cc1ccccc1COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NHNDVOGDFJKVCT-UHFFFAOYSA-N
-rxn:4:183273:224093,N#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,YVBBEVCSBXVGDJ-UHFFFAOYSA-N
-rxn:4:183273:224098,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,KTCCKBJMHZPCHS-UHFFFAOYSA-N
-rxn:4:183273:224099,N#Cc1ccccc1CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,WAQBMRVDMPXOLD-UHFFFAOYSA-N
-rxn:4:183273:224103,O=C(OCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HJYJYZGVQYMCRE-UHFFFAOYSA-N
-rxn:4:183273:224104,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,RMEFODYOSWNIKO-UHFFFAOYSA-N
-rxn:4:183273:224105,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,YVNOPJCGPWZWAK-UHFFFAOYSA-N
-rxn:4:183273:224108,COc1ccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,RRODAGWOMLSKHH-UHFFFAOYSA-N
-rxn:4:183273:224110,COc1ccc(COc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,OMGMFRBCTUELOX-UHFFFAOYSA-N
-rxn:4:183273:224114,Fc1ccc(OCCc2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YMUXNYNHILPOPE-UHFFFAOYSA-N
-rxn:4:183273:224121,CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,IARUFQRRGPDZJY-UHFFFAOYSA-N
-rxn:4:183273:224128,CN(C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)C1CCCCC1,QAGHQOIKHIBYFF-UHFFFAOYSA-N
-rxn:4:183273:224153,c1cc2c(cc1-c1cc(N3CCCC3)cc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,IRCWTVOKCNPCKP-UHFFFAOYSA-N
-rxn:4:183273:224169,c1cc(OCCCN2CCOCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WUUCWRBFOHWTFK-UHFFFAOYSA-N
-rxn:4:183273:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BMYYKFYPKQFHQM-UHFFFAOYSA-N
-rxn:4:183273:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TVQTYKDZGZYFSG-UHFFFAOYSA-N
-rxn:4:183273:224184,O=c1ccn(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QVCCPXIERNUDHY-UHFFFAOYSA-N
-rxn:4:183273:224245,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-c2cccc([N+](=O)[O-])c2)c1,PYZSPPKDXPZOMV-UHFFFAOYSA-N
-rxn:4:183273:224248,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2Cl)CC1,ABOAAYVTOPXWNX-UHFFFAOYSA-N
-rxn:4:183273:224259,FC(F)(F)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XSQDBLNGMRIEEI-UHFFFAOYSA-N
-rxn:4:183273:224262,FC(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1-c1ccccc1,QDIIBRYBXIQXQT-UHFFFAOYSA-N
-rxn:4:183273:224266,FC(F)(F)c1ccc(-c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OSOONKDBGIOVHP-UHFFFAOYSA-N
-rxn:4:183273:224273,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2ncccc21,CZBVSQTYCVGDPH-UHFFFAOYSA-N
-rxn:4:183273:224281,COc1cc(OC)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(OC)nc2c1,XHFXHDCWSMNZKM-UHFFFAOYSA-N
-rxn:4:183273:224297,O=[N+]([O-])c1ccc(Sc2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PHWHFMUXROOMSG-UHFFFAOYSA-N
-rxn:4:183273:224298,O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XTOQJXXZPXNATO-UHFFFAOYSA-N
-rxn:4:183273:224299,O=[N+]([O-])c1ccc([Se]c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,CLVXKOGLPPIHGQ-UHFFFAOYSA-N
-rxn:4:183273:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FIMHDUDVQLHXIJ-UHFFFAOYSA-N
-rxn:4:183273:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AVBJGONTQYYYFM-UHFFFAOYSA-N
-rxn:4:183273:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VAZXYXUYDNALBG-UHFFFAOYSA-N
-rxn:4:183273:224332,FC(F)(F)c1ccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)nc1,SKYDLPWZXULGHF-UHFFFAOYSA-N
-rxn:4:183273:224333,FC(F)(F)c1ccnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,DOHONLZOXOYGET-UHFFFAOYSA-N
-rxn:4:183273:224339,FC(F)(F)c1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,VDAOAMNPPXQOEQ-UHFFFAOYSA-N
-rxn:4:183273:224344,FC(F)(F)c1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,UJXHJWCFMMQLPQ-UHFFFAOYSA-N
-rxn:4:183273:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KUOIHAXUWCALBC-UHFFFAOYSA-N
-rxn:4:183273:224373,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCCC1,UJIKIJVFEFGZGV-UHFFFAOYSA-N
-rxn:4:183273:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CVSURKUEDDMTCL-UHFFFAOYSA-N
-rxn:4:183273:224385,FC(F)(F)c1ccccc1-c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,XVPIKBHLDLDOKI-UHFFFAOYSA-N
-rxn:4:183273:224386,FC(F)(F)c1cccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,IOUZNIKHQOZYSW-UHFFFAOYSA-N
-rxn:4:183273:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,YYVRBKUSEUQIGE-UHFFFAOYSA-N
-rxn:4:183273:224398,Cc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCCC1,OHRKAMLPBJAVJR-UHFFFAOYSA-N
-rxn:4:183273:224415,FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,AZXQRGVAIXWOSL-UHFFFAOYSA-N
-rxn:4:183273:224418,CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,JBAYOYPLBNBHFQ-UHFFFAOYSA-N
-rxn:4:183273:224419,CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,PLRCKQOPAKSLTD-UHFFFAOYSA-N
-rxn:4:183273:224422,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,LNBIQMRIAWPPIN-UHFFFAOYSA-N
-rxn:4:183273:224427,CCn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,YDCGHOJTWLJOHM-UHFFFAOYSA-N
-rxn:4:183273:224428,CCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,GYPOYYDHRXGJIG-UHFFFAOYSA-N
-rxn:4:183273:224430,CCC(C)Oc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,BOAAOZAHZMJRCH-UHFFFAOYSA-N
-rxn:4:183273:224448,Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OCc1ccccc1,UXCWPEUXYBUDRV-UHFFFAOYSA-N
-rxn:4:183273:224449,Cc1c(OCc2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CLLTWYYDKRCLLV-UHFFFAOYSA-N
-rxn:4:183273:224460,c1cc2c(cc1-c1cc(C3CC3)cc(N3CCCCC3)c1)OCCOCCOCCOCCOCCOCCO2,AMPKBUOACOLHKT-UHFFFAOYSA-N
-rxn:4:183273:224462,c1cc(C2CCN(C3CC3)CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XFPZNETWBKRLDZ-UHFFFAOYSA-N
-rxn:4:183273:224463,CC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KMMUHJHYUHAMEO-UHFFFAOYSA-N
-rxn:4:183273:224466,CC(C)(C)c1cc(-c2ccoc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BEDRZNWGOFKEIL-UHFFFAOYSA-N
-rxn:4:183273:224468,CC(C)(C)c1cc(-c2ccsc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PNKGDBJKFLFJSQ-UHFFFAOYSA-N
-rxn:4:183273:224470,COCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,ISYXOGZNBSSOND-UHFFFAOYSA-N
-rxn:4:183273:224472,CC(C)Oc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1Cl,LOPZTXXVAFBOSE-UHFFFAOYSA-N
-rxn:4:183273:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2)C(C)C,OCTJNWUNOHAUNY-UHFFFAOYSA-N
-rxn:4:183273:224487,c1cc(OCCN2CCCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,UBTBSQYNFLFWBK-UHFFFAOYSA-N
-rxn:4:183273:224492,O=C(CCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCC1,ATXQAYKNPCUGPR-UHFFFAOYSA-N
-rxn:4:183273:224495,CN(Cc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,WCYQEJJIYDVGOX-UHFFFAOYSA-N
-rxn:4:183273:224499,CC(C)Cn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,KILVXFDXTHPDEM-UHFFFAOYSA-N
-rxn:4:183273:224502,CN1CCCCC1COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JQHKBDXPBRIXNJ-UHFFFAOYSA-N
-rxn:4:183273:224509,N#Cc1ccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,SGIYJOBVACLCJP-UHFFFAOYSA-N
-rxn:4:183273:224547,Fc1ccc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XDZLBQQPJBMHAA-UHFFFAOYSA-N
-rxn:4:183273:224548,Fc1cccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QRIPAKNFIHQLFM-UHFFFAOYSA-N
-rxn:4:183273:224553,Clc1cc(OCc2ccccc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QOWPCEYPYGVALM-UHFFFAOYSA-N
-rxn:4:183273:224558,COc1cccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,JCDKFTGBIFTPEN-UHFFFAOYSA-N
-rxn:4:183273:224568,COc1cccc(Oc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PSIIHFHFAAZXDL-UHFFFAOYSA-N
-rxn:4:183273:224582,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCN(C3CC3)CC2)c1,DQXGJLFXNLOVII-UHFFFAOYSA-N
-rxn:4:183273:224584,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,BGKXUUCPLVGRIM-UHFFFAOYSA-N
-rxn:4:183273:224603,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cnn(C3CCCCO3)c2c1,DHWBJEPIAOCCIJ-UHFFFAOYSA-N
-rxn:4:183273:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OZXQDXFBYFURDE-UHFFFAOYSA-N
-rxn:4:183273:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KHPPIQIMELBBHP-UHFFFAOYSA-N
-rxn:4:183273:224622,O=C(OCc1ccccc1)n1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GDRPWELGLYEZDE-UHFFFAOYSA-N
-rxn:4:183273:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VAJJKZNVKPHDEJ-UHFFFAOYSA-N
-rxn:4:183273:224625,CC(C)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OC(C)C,DJZXTDBATQQJDQ-UHFFFAOYSA-N
-rxn:4:183273:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YUGMDNZERLRKCH-UHFFFAOYSA-N
-rxn:4:183273:224640,COc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,WHDJULVFTPIRDX-UHFFFAOYSA-N
-rxn:4:183273:224671,CC(C)(C)c1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,CNGCLJIPHHRHDT-UHFFFAOYSA-N
-rxn:4:183273:224684,O=C1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,DQAHBJSTNPFTNH-UHFFFAOYSA-N
-rxn:4:183273:224688,O=C1CCN(Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2Cl)CC1,AKLJNIJLDUDTDS-UHFFFAOYSA-N
-rxn:4:183273:224692,O=[N+]([O-])c1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,HYRKOLDGMWQXAQ-UHFFFAOYSA-N
-rxn:4:183273:224717,O=C(OCc1ccccc1)n1nccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FVDAOWDHQXKLSW-UHFFFAOYSA-N
-rxn:4:183273:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C,CNDGQKUDHJROKQ-UHFFFAOYSA-N
-rxn:4:183273:224727,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(OC(C)(C)C)n1,JMOFEHSSIWOGET-UHFFFAOYSA-N
-rxn:4:183273:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QRFRWAZFMZXNHL-UHFFFAOYSA-N
-rxn:4:183273:224760,O=S(=O)(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCCC1,VKYVNJAMWVXTEU-UHFFFAOYSA-N
-rxn:4:183273:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IMGFHFOZPIJLQV-UHFFFAOYSA-N
-rxn:4:183273:224816,FC(F)(F)c1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,VXQBOBHNVKUTST-UHFFFAOYSA-N
-rxn:4:183273:224825,CON(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,CNRXSEAHXDPALS-UHFFFAOYSA-N
-rxn:4:183273:224844,CCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KTCUSFPXXRPGRJ-UHFFFAOYSA-N
-rxn:4:183273:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,LYBJIBJMISQMPA-MCZWQBSQSA-N
-rxn:4:183273:224849,c1cc2c(cc1-c1cc(C3CCCC3)cc(C3CC3)c1)OCCOCCOCCOCCOCCOCCO2,LBHMWBWHIGYJRV-UHFFFAOYSA-N
-rxn:4:183273:224850,C(=C/c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)\c1ccccc1,UMDQLCGWNXOXLF-VOTSOKGWSA-N
-rxn:4:183273:224851,C(=Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)c1ccccc1,UMDQLCGWNXOXLF-UHFFFAOYSA-N
-rxn:4:183273:224852,Cc1cc(C)cc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,MZAZZICSHXVJIM-UHFFFAOYSA-N
-rxn:4:183273:224853,CC1(C)CCC(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,SXAAMUZQRVLKPG-UHFFFAOYSA-N
-rxn:4:183273:224856,Cn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,ZLRBSGLIDKZLKZ-UHFFFAOYSA-N
-rxn:4:183273:224858,O=C1c2ccccc2-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,DPUUDBACBSTRMW-UHFFFAOYSA-N
-rxn:4:183273:224860,CCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,YYPXCTULQPHKJY-UHFFFAOYSA-N
-rxn:4:183273:224866,c1ccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,NDHHSECSAKXIAP-UHFFFAOYSA-N
-rxn:4:183273:224867,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCC1CCCCC1,GQARKRQPCVFUSE-UHFFFAOYSA-N
-rxn:4:183273:224875,c1ccc(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,RFPQUIZKTUBIGU-UHFFFAOYSA-N
-rxn:4:183273:224878,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(COC2CCCCC2)c1,AELZCTDYOGGTIL-UHFFFAOYSA-N
-rxn:4:183273:224879,N#Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KQCFVEMDDUWINJ-UHFFFAOYSA-N
-rxn:4:183273:224888,N#Cc1ccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,GSGHAIIYFOHHHU-UHFFFAOYSA-N
-rxn:4:183273:224889,N#Cc1ccc(-c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VAXGMIKJFSVPLB-UHFFFAOYSA-N
-rxn:4:183273:224890,c1cc2c(cc1-c1cc(C3CC3)cc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,DOZRLQIFHNQSCS-UHFFFAOYSA-N
-rxn:4:183273:224895,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,UTJKFOKUAGVXSL-UHFFFAOYSA-N
-rxn:4:183273:224897,COc1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,NLJHCFSTSVSMFC-UHFFFAOYSA-N
-rxn:4:183273:224901,COc1cc(-c2ccccc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NUIMOQFIEVVNLP-UHFFFAOYSA-N
-rxn:4:183273:224903,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1-c1ccccc1,FSEDJRVWVKFIAH-UHFFFAOYSA-N
-rxn:4:183273:224905,CSc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,DKACZNBBBYSEKG-UHFFFAOYSA-N
-rxn:4:183273:224907,Cc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BASRFRWNSDKOLN-UHFFFAOYSA-N
-rxn:4:183273:224908,Cc1cccc(Oc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ZOEWGIPUUYZPKV-UHFFFAOYSA-N
-rxn:4:183273:224914,COc1c(-c2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YRURVBLMSDLWQB-UHFFFAOYSA-N
-rxn:4:183273:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OOVSJTIRXOLJOE-UHFFFAOYSA-N
-rxn:4:183273:224924,c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc1S2,ZXAUPBCSECGMTM-UHFFFAOYSA-N
-rxn:4:183273:224925,Clc1ccc2oc3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3c2c1,FVMDOINULVIUES-UHFFFAOYSA-N
-rxn:4:183273:224926,CCOc1cc(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2n1,HRVMGEPLEHQPIL-UHFFFAOYSA-N
-rxn:4:183273:224928,COC(=O)c1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,UJEILBHYVPWPMI-UHFFFAOYSA-N
-rxn:4:183273:224929,COc1cc2ccccc2c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AHAXLSAKLBQLQZ-UHFFFAOYSA-N
-rxn:4:183273:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NTELSKDFEUMWDK-UHFFFAOYSA-N
-rxn:4:183273:224935,c1coc(COCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,JSUFMMFYPVJKKE-UHFFFAOYSA-N
-rxn:4:183273:224942,c1ccc(COc2ncccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IIIQHDLEMAUBOM-UHFFFAOYSA-N
-rxn:4:183273:224948,c1cc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)ccn1,SUEQWFJEDRSLIR-UHFFFAOYSA-N
-rxn:4:183273:224951,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OCc2ccncc2)c1,MCPDAAUNNMGPOS-UHFFFAOYSA-N
-rxn:4:183273:224966,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCC1CCOCC1,YSXHUPRHKNVHLX-UHFFFAOYSA-N
-rxn:4:183273:224967,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)(C)C)c1,KRKMYURUBHBPKR-UHFFFAOYSA-N
-rxn:4:183273:224974,CN1CCN(Cc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)CC1,OIBSVRHWAKJVGI-UHFFFAOYSA-N
-rxn:4:183273:224977,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1N1CCCCC1,BCSPFDWACRKQGA-UHFFFAOYSA-N
-rxn:4:183273:224980,c1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)c1,OSRYNYMLKUPZFX-UHFFFAOYSA-N
-rxn:4:183273:224981,c1cn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)cn1,LQXSCPZIMDMQPJ-UHFFFAOYSA-N
-rxn:4:183273:224985,c1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2C2CC2)c1,CQAXKKNKRSZTFE-UHFFFAOYSA-N
-rxn:4:183273:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LMHOJQZPXSCACQ-UHFFFAOYSA-N
-rxn:4:183273:224989,CC(C)n1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,HJXDUQCCPLLDBB-UHFFFAOYSA-N
-rxn:4:183273:224990,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnn(C3CC3)c2)c1,LWQFEZYTAXEATM-UHFFFAOYSA-N
-rxn:4:183273:224991,c1cc2c(cc1-c1cc(C3CC3)nc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,UWHKXOMJJGIJMY-UHFFFAOYSA-N
-rxn:4:183273:224996,COc1nccc(-c2ccccc2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CRJKSRBIXLIPCW-UHFFFAOYSA-N
-rxn:4:183273:224997,O=C(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCCC1,GWZQWHRIETXDHP-UHFFFAOYSA-N
-rxn:4:183273:225003,COc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFYHOAVREDEZRZ-UHFFFAOYSA-N
-rxn:4:183273:225016,c1nc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)cs1,NIQMYOKEDFRYKK-UHFFFAOYSA-N
-rxn:4:183273:225017,COc1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,IOAOMKRBYACENX-UHFFFAOYSA-N
-rxn:4:183273:225024,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,LFKMEWAZEOYSPD-UHFFFAOYSA-N
-rxn:4:183273:225031,Clc1ccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QWQLAEHBJGRIJU-UHFFFAOYSA-N
-rxn:4:183273:225032,Fc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SRORIUNBGRDPIO-UHFFFAOYSA-N
-rxn:4:183273:225046,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-n2nc(C)cc2C)c1,CNBAEFPAFNHXFI-UHFFFAOYSA-N
-rxn:4:183273:225072,CCOC(=O)c1cc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc2s1,IWWLXTCPIVTWJX-UHFFFAOYSA-N
-rxn:4:183273:225077,COc1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cnc2cc1OC,MMEWJLCRJDZNTI-UHFFFAOYSA-N
-rxn:4:183273:225088,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCCN(C)C,DGFGCPPAIGCWAS-UHFFFAOYSA-N
-rxn:4:183273:225093,CCCOc1c(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC,AMRNCIZMXHMVQR-UHFFFAOYSA-N
-rxn:4:183273:225096,c1cn(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cn1,DVBMCISPGZUZNC-UHFFFAOYSA-N
-rxn:4:183273:225098,c1cc(OCCN2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,TYQYFDAKPFWNPE-UHFFFAOYSA-N
-rxn:4:183273:225099,c1cc(OCCn2ccnc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WJIBLFQZDJUDQE-UHFFFAOYSA-N
-rxn:4:183273:225130,N#Cc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,LUMUSUFIDLTQGH-UHFFFAOYSA-N
-rxn:4:183273:225131,c1cc2c(cc1-c1cnn(-c3cncc(C4CC4)c3)c1)OCCOCCOCCOCCOCCOCCO2,VUYDCAYFSPSPOX-UHFFFAOYSA-N
-rxn:4:183273:225133,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C#N)c2)n1,VRSPKWHRJXQUGZ-UHFFFAOYSA-N
-rxn:4:183273:225137,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C#N)c2)c1,NMGAYJCMUGKZKG-UHFFFAOYSA-N
-rxn:4:183273:225138,c1cc(-n2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)n2)cc(C2CC2)n1,YYPGKMLMFUUSGH-UHFFFAOYSA-N
-rxn:4:183273:225139,Cc1cn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)cn1,DWNHBQIVXWBDRG-UHFFFAOYSA-N
-rxn:4:183273:225141,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)n1,XMWJVPJPODGCFD-UHFFFAOYSA-N
-rxn:4:183273:225142,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)c1,KODOUECZYBBMBK-UHFFFAOYSA-N
-rxn:4:183273:225150,COc1cc(-n2ccc(C)n2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JBZKUVWNHXQSJQ-UHFFFAOYSA-N
-rxn:4:183273:225151,COc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NZCVSJJWXSUKND-UHFFFAOYSA-N
-rxn:4:183273:225154,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnn(C)c2)c1,HHBOSBZVSMDGBU-UHFFFAOYSA-N
-rxn:4:183273:225213,CN1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(Cl)c2)CC1,UGXFAVZONNMSBP-UHFFFAOYSA-N
-rxn:4:183273:225251,CCOC(=O)c1cnn2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,OHQUSEQEISDFEU-UHFFFAOYSA-N
-rxn:4:183273:225254,FC(F)(F)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc12,AYYJDMQOIYBMLI-UHFFFAOYSA-N
-rxn:4:183273:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KIPFWBJMQQZNJI-UHFFFAOYSA-N
-rxn:4:183273:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NKJVLSGCKQCYNZ-UHFFFAOYSA-N
-rxn:4:183273:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YMZHUFOXTOXLLI-UHFFFAOYSA-N
-rxn:4:183273:225264,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C(=O)OC,ZEXXKBPRYNIKDH-UHFFFAOYSA-N
-rxn:4:183273:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)n1,YTOLJOLKPLSOSZ-UHFFFAOYSA-N
-rxn:4:183273:225299,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C)c1S(=O)(=O)N(C)C,IDFUOIXPBLXWSE-UHFFFAOYSA-N
-rxn:4:183273:225325,CCOC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,LJGKENFZQLHFBR-UHFFFAOYSA-N
-rxn:4:183273:225330,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(=O)OC)n1,YLWJEZPRZSBCPN-UHFFFAOYSA-N
-rxn:4:183273:225342,CN(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,PJZLLPORNGIXKZ-UHFFFAOYSA-N
-rxn:4:183273:225362,O=S(=O)(c1ccccc1)n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,ZJWCNMJOXZJOEP-UHFFFAOYSA-N
-rxn:4:183273:225369,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)c([N+](=O)[O-])c1,WKSHZAVWCWMTKV-UHFFFAOYSA-N
-rxn:4:183273:225384,O=[N+]([O-])c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC(F)(F)F,PAUWXSDYMJJQDJ-UHFFFAOYSA-N
-rxn:4:183273:225392,c1ccc(Cc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,GQGFYWBVNXJYCL-UHFFFAOYSA-N
-rxn:4:183273:225396,Cc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SJBKIYVFKZEUGQ-UHFFFAOYSA-N
-rxn:4:183273:225397,Cc1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,PCMJPVRXIZSRMN-UHFFFAOYSA-N
-rxn:4:183273:225398,Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,YECORNGBTFZETP-UHFFFAOYSA-N
-rxn:4:183273:225399,Cc1cc(-c2ccccc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XFEMPULHIANKKJ-UHFFFAOYSA-N
-rxn:4:183273:225400,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1-c1ccccc1,YHDCPGBMIQVNNV-UHFFFAOYSA-N
-rxn:4:183273:225402,Cc1c(-c2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YMGUXPGDWZVGOY-UHFFFAOYSA-N
-rxn:4:183273:225403,Cc1ccc(-c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JNXZZVCSOPCKIZ-UHFFFAOYSA-N
-rxn:4:183273:225405,Cc1cc(-c2ccccc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QBZMFOABNHAHMT-UHFFFAOYSA-N
-rxn:4:183273:225417,CCOc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RTSKCRLJOZWPPI-UHFFFAOYSA-N
-rxn:4:183273:225421,CN(C)c1cccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc12,GUWVRDCTXOHNQK-UHFFFAOYSA-N
-rxn:4:183273:225439,CC(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)N1CCCC1,HNXFMGCYGCKQTI-UHFFFAOYSA-N
-rxn:4:183273:225440,N#CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CCCC1,SNKVJIIRTAMDPR-UHFFFAOYSA-N
-rxn:4:183273:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DMHBXPRONBDRGF-UHFFFAOYSA-N
-rxn:4:183273:225451,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1SC1CCCCC1,JNEOJIBWWSLRIG-UHFFFAOYSA-N
-rxn:4:183273:225454,CN1CC=C(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,VSUOUIQXRWARIJ-UHFFFAOYSA-N
-rxn:4:183273:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VUKKDQWRZSLKOG-UHFFFAOYSA-N
-rxn:4:183273:225458,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2ccccn2)c1,HNLPWUTXCRVTSF-UHFFFAOYSA-N
-rxn:4:183273:225460,Cc1ccccc1-c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,QUDASICIOHCYDU-UHFFFAOYSA-N
-rxn:4:183273:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UQGFMUTUHGGWJY-UHFFFAOYSA-N
-rxn:4:183273:225463,Cc1ccccc1-c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LJXCHZFREPQRIX-UHFFFAOYSA-N
-rxn:4:183273:225464,CC1CCCN(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)C1,PUOSSIZJVZLXTQ-UHFFFAOYSA-N
-rxn:4:183273:225468,Cc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,NSVIWUIQJCQFPT-UHFFFAOYSA-N
-rxn:4:183273:225470,CC1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,PVAKGVYXZOTQDR-UHFFFAOYSA-N
-rxn:4:183273:225485,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1-c1ccccc1,JYQLNWGJTQZDSO-UHFFFAOYSA-N
-rxn:4:183273:225491,Fc1ccc(-c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,STWMAPWSPKSXKM-UHFFFAOYSA-N
-rxn:4:183273:225501,Fc1cccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,PZAOKWGIGZEDSW-UHFFFAOYSA-N
-rxn:4:183273:225503,Clc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GJTUUMLGEMRFJS-UHFFFAOYSA-N
-rxn:4:183273:225515,CC1(C)COc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2OC1,NSJIOILCTSUZJE-UHFFFAOYSA-N
-rxn:4:183273:225516,CN(C)CCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KEXDXQAHZVKVAB-UHFFFAOYSA-N
-rxn:4:183273:225518,CCCCCOc1ncc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SYMXFKWKHAVLRC-UHFFFAOYSA-N
-rxn:4:183273:225520,CCCCOC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PCNTXNBNLDDGQJ-UHFFFAOYSA-N
-rxn:4:183273:225522,CCCCOc1cc(OC)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PKLSRPNWOQSKGQ-UHFFFAOYSA-N
-rxn:4:183273:225538,CC(C)COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C#N,QAUMWWZNYZWHRH-UHFFFAOYSA-N
-rxn:4:183273:225543,CCCCC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SIWFEBDKNYNJQU-UHFFFAOYSA-N
-rxn:4:183273:225549,CCCCC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,WJZBNFRIIYKKAE-UHFFFAOYSA-N
-rxn:4:183273:225552,CCN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)n1,WDHXUOPPESDAGR-UHFFFAOYSA-N
-rxn:4:183273:225560,c1cc(COC2CCOC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BHDUHSAAWWHRBZ-UHFFFAOYSA-N
-rxn:4:183273:225580,CCn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,ZDCSXHLUVDTTEW-UHFFFAOYSA-N
-rxn:4:183273:225583,O=C(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)N1CCCC1,YZNLCNHDVJWPHD-UHFFFAOYSA-N
-rxn:4:183273:225599,c1ccc(Oc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)cc1,WIBUHLLJHAHJTM-UHFFFAOYSA-N
-rxn:4:183273:225602,N#CC1(c2ccc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CCC1,YPMNQASDOPYHMX-UHFFFAOYSA-N
-rxn:4:183273:225609,c1ccc(Oc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)nc1,NBPZFCJAXHDJEE-UHFFFAOYSA-N
-rxn:4:183273:225621,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC1CCOC1,RYGLMSNYMDOEJK-UHFFFAOYSA-N
-rxn:4:183273:225622,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC2CCCCO2)c1,AEWZNWLYPSJZNV-UHFFFAOYSA-N
-rxn:4:183273:225624,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)cc1,NONDCGZOVTYIQK-UHFFFAOYSA-N
-rxn:4:183273:225628,COc1ccccc1-c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GHPRJNMWHUVVPE-UHFFFAOYSA-N
-rxn:4:183273:225630,Cc1cc(C)n(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)n1,GFXDHEPRKXSQIC-UHFFFAOYSA-N
-rxn:4:183273:225631,CN1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,JYRPYSRUIVVIDV-UHFFFAOYSA-N
-rxn:4:183273:225632,CN1CCN(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,CUSWBQIYAVCFLQ-UHFFFAOYSA-N
-rxn:4:183273:225635,Cc1cc(C)n(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,MBFIIPPXIDQNCV-UHFFFAOYSA-N
-rxn:4:183273:225636,CC1CCN(c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)CC1,YAXYZZBGPZUTLY-UHFFFAOYSA-N
-rxn:4:183273:225642,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnccn2)c1,ODTUILFBXBSBQD-UHFFFAOYSA-N
-rxn:4:183273:225644,Cc1cccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,JLHCCZDTRKJWSR-UHFFFAOYSA-N
-rxn:4:183273:225645,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C)c2)n1,KTDHONMAMNDNIY-UHFFFAOYSA-N
-rxn:4:183273:225647,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C)c2)c1,DJQURCGNIJAHHV-UHFFFAOYSA-N
-rxn:4:183273:225648,Cc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NHVYYOGXRYJNOU-UHFFFAOYSA-N
-rxn:4:183273:225673,Clc1ccnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ZECSKAIKAFPXCD-UHFFFAOYSA-N
-rxn:4:183273:225703,COC(=O)c1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2s1,FNCJGUADHZZHSU-UHFFFAOYSA-N
-rxn:4:183273:225705,COc1cnc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C)cc2n1,BBWVXZBINUIOPE-UHFFFAOYSA-N
-rxn:4:183273:225707,O=[N+]([O-])c1cccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc12,WVEOMCADOIRKKD-UHFFFAOYSA-N
-rxn:4:183273:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZVJPBSQJOMHDEU-UHFFFAOYSA-N
-rxn:4:183273:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,MFPUETFEDXZYME-UHFFFAOYSA-N
-rxn:4:183273:225735,CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OCC,CVJPISMRNDIMQT-UHFFFAOYSA-N
-rxn:4:183273:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VKUPTPQMQODXQR-UHFFFAOYSA-N
-rxn:4:183273:225757,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)C)n1,QHHWCNGENOGRCO-UHFFFAOYSA-N
-rxn:4:183273:225777,N#Cc1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,JGPXMSDJLMSFGG-UHFFFAOYSA-N
-rxn:4:183273:225788,CCc1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,BZCHQXGJOYIWDN-UHFFFAOYSA-N
-rxn:4:183273:225790,CCc1nc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)no1,NQLRAOXVURIVNI-UHFFFAOYSA-N
-rxn:4:183273:225792,COc1ccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,CMYUUJOZSQUTEF-UHFFFAOYSA-N
-rxn:4:183273:225795,COc1cc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RHDQTHPGUHVDCI-UHFFFAOYSA-N
-rxn:4:183273:225797,CC(C)(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],DNEOLAKPDNCKNJ-UHFFFAOYSA-N
-rxn:4:183273:225827,CN1CCN(c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)CC1,QCKKXMXBYFKDEW-UHFFFAOYSA-N
-rxn:4:183273:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)CC1,VPTFUXQWSCTABR-UHFFFAOYSA-N
-rxn:4:183273:225857,Cc1ccn(-c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,VWKGKZAAECXNFS-UHFFFAOYSA-N
-rxn:4:183273:225862,Cc1cnn(-c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,NLWNFHOMRUBKAC-UHFFFAOYSA-N
-rxn:4:183273:225899,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C(=O)OC(C)(C)C)n1,YHKNJJIVVXXDAT-UHFFFAOYSA-N
-rxn:4:183273:225903,CON(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,HRBZOBDCOTYRAT-UHFFFAOYSA-N
-rxn:4:183273:225904,CON(C)C(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GHERFIZGHQWSIC-UHFFFAOYSA-N
-rxn:4:183273:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZZSKCLWFWDUWHV-UHFFFAOYSA-N
-rxn:4:183273:225962,Cc1ccn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(F)cn2)n1,HWKXOMRMEOTIFH-UHFFFAOYSA-N
-rxn:4:183273:225963,Cc1ccn(-c2cc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,NARNDHIMRNFWDX-UHFFFAOYSA-N
-rxn:4:183273:225993,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],SRTBHOPZXJYXOF-UHFFFAOYSA-N
-rxn:4:183273:225998,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,UOZVDZSUDFXKQR-UHFFFAOYSA-N
-rxn:4:183273:225999,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1,IIFYNFYHMIPEBW-UHFFFAOYSA-N
-rxn:4:183273:226000,CC(=O)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],LGKMPJKVZJXVCF-UHFFFAOYSA-N
-rxn:4:183273:226002,CC(=O)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1[N+](=O)[O-],GGCGQCVYSUEYJX-UHFFFAOYSA-N
-rxn:4:183273:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ODKAJMUAZPUZGO-UHFFFAOYSA-N
-rxn:4:183273:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WLLULNMCGLLOEP-UHFFFAOYSA-N
-rxn:4:183273:226056,c1cc2c(cc1-c1c3c(cc4c1CCC4)CCC3)OCCOCCOCCOCCOCCOCCO2,LJHYQELVCJFZCJ-UHFFFAOYSA-N
-rxn:4:183273:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UZQZXVDCBSDKNP-UHFFFAOYSA-N
-rxn:4:183273:226059,CC(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C(C)C)c1,TWZQPOXGBLGDIS-UHFFFAOYSA-N
-rxn:4:183273:226062,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)C)c1,XOUSCPMPNFIFGQ-UHFFFAOYSA-N
-rxn:4:183273:226064,c1cc(C2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OOYNKYKSLNLEOD-UHFFFAOYSA-N
-rxn:4:183273:226070,CC(C)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,RSLNWMOZTYGHPP-UHFFFAOYSA-N
-rxn:4:183273:226071,N#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc12,WQFOQIJYXYLAHO-UHFFFAOYSA-N
-rxn:4:183273:226072,N#Cc1cccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c12,CTJCLWHSAUEAMV-UHFFFAOYSA-N
-rxn:4:183273:226077,COc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HYROXFBAFZQXEL-UHFFFAOYSA-N
-rxn:4:183273:226079,CC(C)c1ccc2sc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,VHEMNMADDMNEMT-UHFFFAOYSA-N
-rxn:4:183273:226081,COc1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc2c1,DFIXJAQGBUCCAZ-UHFFFAOYSA-N
-rxn:4:183273:226092,CCCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)c1,XSAHOBPPVGSMLT-UHFFFAOYSA-N
-rxn:4:183273:226103,CCCOc1c(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C,MDEDHONTRNSNQI-UHFFFAOYSA-N
-rxn:4:183273:226111,CC(C)(C)OCc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UKIBWNOAVCKWHF-UHFFFAOYSA-N
-rxn:4:183273:226123,COCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C1CC1,DONJFVDUHXRWTH-UHFFFAOYSA-N
-rxn:4:183273:226126,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C1CC1,KIRDUAZJXJOAIZ-UHFFFAOYSA-N
-rxn:4:183273:226134,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C#N)cc1C1CC1,ZOGGUOWICXVWTK-UHFFFAOYSA-N
-rxn:4:183273:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VNNWTNIUQVMFMA-UHFFFAOYSA-N
-rxn:4:183273:226149,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C(C)(C)C,DCJJMFYLROJAEI-UHFFFAOYSA-N
-rxn:4:183273:226192,Cc1ccccc1-c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,AUNMXJROLKLDTN-UHFFFAOYSA-N
-rxn:4:183273:226195,Cc1cccc(-c2csc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,DBAQCQFRZDCCQY-UHFFFAOYSA-N
-rxn:4:183273:226196,Cc1sc(-c2ccccc2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,BDHVDQPPIZDKSG-UHFFFAOYSA-N
-rxn:4:183273:226197,c1cc(C2CCCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CLSCLVLBLZJQHV-UHFFFAOYSA-N
-rxn:4:183273:226202,CCc1nn(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,SFLFTYCVEGTJSE-UHFFFAOYSA-N
-rxn:4:183273:226205,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc2c1,KMVUFSZOUCXRDI-UHFFFAOYSA-N
-rxn:4:183273:226214,COc1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,GGRSHCFLYIDOJH-UHFFFAOYSA-N
-rxn:4:183273:226216,COc1ccc2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,LKSWOLVQGBBASO-UHFFFAOYSA-N
-rxn:4:183273:226217,COc1cc(C)cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)sc12,UIZGWXHICYPPBG-UHFFFAOYSA-N
-rxn:4:183273:226225,COCCOCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JLFQIXWLHPKJDF-UHFFFAOYSA-N
-rxn:4:183273:226226,COCCOCc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,STZXXUNKDVAVFM-UHFFFAOYSA-N
-rxn:4:183273:226230,COCCOCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OLGPROSDWQTYCP-UHFFFAOYSA-N
-rxn:4:183273:226243,CCOC(=O)Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,RFJAMNOUHUYXBD-UHFFFAOYSA-N
-rxn:4:183273:226248,CCOC(=O)Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SPZSASKLKIVTNB-UHFFFAOYSA-N
-rxn:4:183273:226261,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC,ISIWASDZKJRLBZ-UHFFFAOYSA-N
-rxn:4:183273:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XCARVYQAJHZDGK-UHFFFAOYSA-N
-rxn:4:183273:226269,CCOc1ccc(OCC)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XHKYCGVHOBHYMI-UHFFFAOYSA-N
-rxn:4:183273:226280,CC(C)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C#N,HTJZWQMMNWIYMG-UHFFFAOYSA-N
-rxn:4:183273:226288,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OC(C)C,SFIBAVMOEMTOEV-UHFFFAOYSA-N
-rxn:4:183273:226289,COc1cccc(OC(C)C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WCDNRAPJDALPAF-UHFFFAOYSA-N
-rxn:4:183273:226300,CCCC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,ZBUNUTJNJHYWSL-UHFFFAOYSA-N
-rxn:4:183273:226314,c1ccc(Cn2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NEFPFAVIARXZLN-UHFFFAOYSA-N
-rxn:4:183273:226336,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cc1C1CC1,TVOHKKAFRFNBIV-UHFFFAOYSA-N
-rxn:4:183273:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,AKPQXGZVYQYWEU-UHFFFAOYSA-N
-rxn:4:183273:226359,Cn1nccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VCMALBJXGGBFTE-UHFFFAOYSA-N
-rxn:4:183273:226368,Cn1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1-c1ccccc1,ANEDCWUQBNVQAN-UHFFFAOYSA-N
-rxn:4:183273:226373,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)n1,LMSRMEGQLKTXKB-UHFFFAOYSA-N
-rxn:4:183273:226375,Cn1ccnc1-c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,KKQYPEYPNGFMIG-UHFFFAOYSA-N
-rxn:4:183273:226383,Cn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,PGVWBEUBNKTIPR-UHFFFAOYSA-N
-rxn:4:183273:226392,Cc1ccn(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,OXWSEFBOTQTZRH-UHFFFAOYSA-N
-rxn:4:183273:226436,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cscn2)c1,AUVGNSYWTNJUDP-UHFFFAOYSA-N
-rxn:4:183273:226458,Cn1nc(C#N)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,PWMZIADKQYZOMO-UHFFFAOYSA-N
-rxn:4:183273:226472,CN(C)CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,UYGUNGZYWAKPDH-UHFFFAOYSA-N
-rxn:4:183273:226481,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC#N,WZMZZNZEQVMCGY-UHFFFAOYSA-N
-rxn:4:183273:226499,CC(C)(C)OC(=O)n1cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GZNAAMGSDPDWQF-UHFFFAOYSA-N
-rxn:4:183273:226503,CON(C)C(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,RZLONNRUVZAGIL-UHFFFAOYSA-N
-rxn:4:183273:226510,CC(C)COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,XEKPSSQWTJAFJQ-UHFFFAOYSA-N
-rxn:4:183273:226514,CCc1cnc(C(=O)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YGATUIZWTRZBBD-UHFFFAOYSA-N
-rxn:4:183273:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,YBULOGRDLJHFIR-UHFFFAOYSA-N
-rxn:4:183273:226613,Cn1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,KHLWIAVOSCLIPK-UHFFFAOYSA-N
-rxn:4:183273:226615,Cc1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,RPNLQXWGSZKJBL-UHFFFAOYSA-N
-rxn:4:183273:226617,Cc1nn(-c2ccccn2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QBPBDRRFXYAFCU-UHFFFAOYSA-N
-rxn:4:183273:226620,Cc1ccn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)n1,KNJYQNOXQFTKEA-UHFFFAOYSA-N
-rxn:4:183273:226628,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,MBMWHBOOFNKSTF-UHFFFAOYSA-N
-rxn:4:183273:226630,Cn1cc(-c2cncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,GVCBHIJDOLHEGX-UHFFFAOYSA-N
-rxn:4:183273:226633,Cc1nc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DJRZPSIKPMUKKK-UHFFFAOYSA-N
-rxn:4:183273:226636,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,OHWLKBLGFULNFM-UHFFFAOYSA-N
-rxn:4:183273:226642,Cc1cn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cn1,BUUKRVHQCWMNCZ-UHFFFAOYSA-N
-rxn:4:183273:226645,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCOCC2)n1,JBVHNKBAHPUJFA-UHFFFAOYSA-N
-rxn:4:183273:226647,Cc1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,DEAQEGVDQMFHGB-UHFFFAOYSA-N
-rxn:4:183273:226648,Cc1nc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)no1,DVWAPNUTPRVWPF-UHFFFAOYSA-N
-rxn:4:183273:226651,Clc1cccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,WFAPQQFYWGRPDK-UHFFFAOYSA-N
-rxn:4:183273:226655,Clc1cnc(N2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,HAJWWBGJWASSKU-UHFFFAOYSA-N
-rxn:4:183273:226659,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cnc1N1CCCC1,PCSPRRXWOBQRCA-UHFFFAOYSA-N
-rxn:4:183273:226660,Fc1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,KITOAVIPRFGQDI-UHFFFAOYSA-N
-rxn:4:183273:226663,c1cc(N2CCSCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OATVENKRFDRFNO-UHFFFAOYSA-N
-rxn:4:183273:226664,Fc1cnc(N2CCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AKGYVSRCUIIDAX-UHFFFAOYSA-N
-rxn:4:183273:226667,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-n2cccn2)c1,WYZZBOBIHPJPIU-UHFFFAOYSA-N
-rxn:4:183273:226688,Cc1nc(-c2nccs2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DKBSXXCSMGOXPQ-UHFFFAOYSA-N
-rxn:4:183273:226696,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cnc1-c1ccoc1,ZDYHCTGWIBWFDD-UHFFFAOYSA-N
-rxn:4:183273:226717,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],MKLCVABVNDTBSD-UHFFFAOYSA-N
-rxn:4:183273:226720,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC)cn1,BDQGMYHODWCPBY-UHFFFAOYSA-N
-rxn:4:183273:226721,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(OC)n1,TWAGMSDWALLSKJ-UHFFFAOYSA-N
-rxn:4:183273:226739,CC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],GYARYKNWPZJNGE-UHFFFAOYSA-N
-rxn:4:183273:226785,Cc1cnn(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,MHZHTOWSQWJXSW-UHFFFAOYSA-N
-rxn:4:183273:226787,Cc1nc(-n2ccnc2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GTWFVFODSXMCKS-UHFFFAOYSA-N
-rxn:4:183273:226793,Fc1ccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)nc1,AHQJXJOCIGTHKY-UHFFFAOYSA-N
-rxn:4:183273:226804,Fc1cc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)ccn1,GGFHYAXOJJZSHU-UHFFFAOYSA-N
-rxn:4:183273:226843,O=C(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1)C(F)(F)F,LKVZALGQZKSPJV-UHFFFAOYSA-N
-rxn:4:183273:226879,Clc1cnc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)nc1,VMKWWKFAUKTUFR-UHFFFAOYSA-N
-rxn:4:183273:226899,O=[N+]([O-])c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1,HZMLPVLCWWYLGX-UHFFFAOYSA-N
-rxn:4:183273:226903,Cc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VWDBIMDCRODGIR-UHFFFAOYSA-N
-rxn:4:183273:226919,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)c1,ZJIOVDUANZKYBK-UHFFFAOYSA-N
-rxn:4:183273:226929,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cccnc12,OYFQWQNNVJCEPO-UHFFFAOYSA-N
-rxn:4:183273:226945,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc2c1,MMXUEWHMEZGHKN-UHFFFAOYSA-N
-rxn:4:183273:226958,Cc1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,HHRWKSVPUFUQEC-UHFFFAOYSA-N
-rxn:4:183273:226989,CCN(CC)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CXKHRTCNTKAEHB-UHFFFAOYSA-N
-rxn:4:183273:226993,CCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C,XKWZSPBHRACHFC-UHFFFAOYSA-N
-rxn:4:183273:226994,CCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZJMGYRAISJFFFV-UHFFFAOYSA-N
-rxn:4:183273:227011,CC(C)OCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,DQCPFBKJICCSQN-UHFFFAOYSA-N
-rxn:4:183273:227017,CC=CCOc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZRPIMBLLVGJULF-UHFFFAOYSA-N
-rxn:4:183273:227029,CC(C)(C#N)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VXNLMRHXYVFTLY-UHFFFAOYSA-N
-rxn:4:183273:227034,N#Cc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LDBYXVGAERVBQU-UHFFFAOYSA-N
-rxn:4:183273:227037,N#Cc1ccc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JHHGCQRKUURXLO-UHFFFAOYSA-N
-rxn:4:183273:227039,CC(C)(C)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,FDSJYLYOYLSURW-UHFFFAOYSA-N
-rxn:4:183273:227052,CC(C)(C)Sc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QLFJDLQJGGRDIL-UHFFFAOYSA-N
-rxn:4:183273:227057,COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C1CC1,PXOKJDHMTONHHR-UHFFFAOYSA-N
-rxn:4:183273:227064,CC(C)(C)Oc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VGFXTLREDUZDSW-UHFFFAOYSA-N
-rxn:4:183273:227066,O=C(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)C1CC1,ICBDMWISJDIMGU-UHFFFAOYSA-N
-rxn:4:183273:227069,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C(C)C)c1,UPZPIXITXRQGQT-UHFFFAOYSA-N
-rxn:4:183273:227072,COc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FCSLWHUEKAXPEH-UHFFFAOYSA-N
-rxn:4:183273:227080,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCCC2)c1,UIGURJQABWFOBV-UHFFFAOYSA-N
-rxn:4:183273:227081,c1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KNRQDJPAFNSOJL-UHFFFAOYSA-N
-rxn:4:183273:227086,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)n1,RUUILZXWAIYXBZ-UHFFFAOYSA-N
-rxn:4:183273:227088,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)(C)C)n1,LGIUFCSLKBQRCJ-UHFFFAOYSA-N
-rxn:4:183273:227146,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc2c1cnn2C,FBUNPWPCTMVWLX-UHFFFAOYSA-N
-rxn:4:183273:227147,Cc1nn(C)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,JHCSWBKTTGBSCW-UHFFFAOYSA-N
-rxn:4:183273:227148,Cc1cc2c(cnn2C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFARZFGQIKJMCC-UHFFFAOYSA-N
-rxn:4:183273:227149,Cc1ccc2c(cnn2C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MVIBLAWOLFIACG-UHFFFAOYSA-N
-rxn:4:183273:227150,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cnn(C)c12,SEMOBXVYSMGJSQ-UHFFFAOYSA-N
-rxn:4:183273:227153,Cc1nn(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,QAAHMVNZOOODSF-UHFFFAOYSA-N
-rxn:4:183273:227154,Cc1c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2nn1C,KHDMULKBUWDEFX-UHFFFAOYSA-N
-rxn:4:183273:227155,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2c1cnn2C,PQLLJGVIXANPEB-UHFFFAOYSA-N
-rxn:4:183273:227185,CN1CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,HGPPKZVSGKEKNB-UHFFFAOYSA-N
-rxn:4:183273:227200,Cn1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2c(Cl)cccc21,ICYOFSLQYOEDLB-UHFFFAOYSA-N
-rxn:4:183273:227215,COCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QCUOXKOLMWOKRV-UHFFFAOYSA-N
-rxn:4:183273:227233,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1CC#N,ZAEYIAAELOUQPI-UHFFFAOYSA-N
-rxn:4:183273:227235,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C#N,GWAFDDPEETZKLZ-UHFFFAOYSA-N
-rxn:4:183273:227260,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC,PLKJYLIGQLUIML-UHFFFAOYSA-N
-rxn:4:183273:227273,CCOc1c(OC)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JPQNKJVMNVNTJU-UHFFFAOYSA-N
-rxn:4:183273:227278,N#CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)CC1,XVVJIGXVDBRTAH-UHFFFAOYSA-N
-rxn:4:183273:227280,CC(C)c1cnc(C#N)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MJHYWTXMTSTUAZ-UHFFFAOYSA-N
-rxn:4:183273:227289,CC(C)(C)Oc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IARSPTHGENGTHC-UHFFFAOYSA-N
-rxn:4:183273:227300,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OC1CCC1,AEBPFMPPEOKNSD-UHFFFAOYSA-N
-rxn:4:183273:227349,COc1cc(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OC,ZPQGIWDLASZGJU-UHFFFAOYSA-N
-rxn:4:183273:227375,c1cc(N2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IJRWHYZEALWDOM-UHFFFAOYSA-N
-rxn:4:183273:227387,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCCC2)n1,ABUHJKNNIWVXIN-UHFFFAOYSA-N
-rxn:4:183273:227403,c1cc2c(cc1-c1ccc(N3CCCCC3)s1)OCCOCCOCCOCCOCCOCCO2,DUJHHRINPJHJBY-UHFFFAOYSA-N
-rxn:4:183273:227404,c1cc2c(cc1-c1cc(N3CCCCC3)cs1)OCCOCCOCCOCCOCCOCCO2,GKKMNMNDAVZHCI-UHFFFAOYSA-N
-rxn:4:183273:227453,Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)s1,WEHGTSQZQVYLGG-UHFFFAOYSA-N
-rxn:4:183273:227456,CSc1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2s1,GUFBFOQSYGBMMY-UHFFFAOYSA-N
-rxn:4:183273:227473,O=[N+]([O-])CCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JRLSEQJMSDYTBB-UHFFFAOYSA-N
-rxn:4:183273:227474,O=[N+]([O-])CCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LKPZPZNTMDMLRN-UHFFFAOYSA-N
-rxn:4:183273:227489,CN(C)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C#N,VHGNBROUNSUTOB-UHFFFAOYSA-N
-rxn:4:183273:227495,CCN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cn1,UEULIRRFRLESJI-UHFFFAOYSA-N
-rxn:4:183273:227498,COc1cc(N(C)C)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GHXZWLPUTJBHEB-UHFFFAOYSA-N
-rxn:4:183273:227501,O=[N+]([O-])C=Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IMRNVVZUJSFEKD-UHFFFAOYSA-N
-rxn:4:183273:227505,O=[N+]([O-])/C=C/c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IMRNVVZUJSFEKD-BQYQJAHWSA-N
-rxn:4:183273:227506,O=[N+]([O-])/C=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PTVVZZGNNDGCGK-VOTSOKGWSA-N
-rxn:4:183273:227507,O=[N+]([O-])C=Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PTVVZZGNNDGCGK-UHFFFAOYSA-N
-rxn:4:183273:227512,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)cn1,GNQKTXHZQWFQNN-UHFFFAOYSA-N
-rxn:4:183273:227567,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OC,XTISSVASKZUKAT-UHFFFAOYSA-N
-rxn:4:183273:227578,COc1cc(OC)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,UEXARVJYFMWDRD-UHFFFAOYSA-N
-rxn:4:183273:227616,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)c1,UNNJYCRNMSIGOS-UHFFFAOYSA-N
-rxn:4:183273:227619,Cc1cnn(-c2csc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ADWOFKBNKNSIGE-UHFFFAOYSA-N
-rxn:4:183273:227623,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)n1,VOXGIYBIMAMPDJ-UHFFFAOYSA-N
-rxn:4:183273:227682,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,NPAUPKGYCSKVCO-UHFFFAOYSA-N
-rxn:4:183273:227686,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],JEVJJNRSAPGSPY-UHFFFAOYSA-N
-rxn:4:183273:227693,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cn1,SVWSVOCTCAFWKR-UHFFFAOYSA-N
-rxn:4:183273:227695,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,GUKCIEMLYOMYDH-UHFFFAOYSA-N
-rxn:4:183273:227730,Cc1nn(-c2nccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IUBWHRWMEFWFTN-UHFFFAOYSA-N
-rxn:4:183273:227769,COc1ncc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,POQBRZKJCVVNHK-UHFFFAOYSA-N
-rxn:4:183273:227770,COc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],PRBZBZXRBZDQME-UHFFFAOYSA-N
-rxn:4:183273:227804,O=[N+]([O-])c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])s1,BOTYKOCFYODEOY-UHFFFAOYSA-N
-rxn:4:183273:227815,CCC(C)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UMXDCWWQLRNXFY-UHFFFAOYSA-N
-rxn:4:183273:227826,CC(C)(C)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,CLLCQGDVPXUKSB-UHFFFAOYSA-N
-rxn:4:183273:227829,c1ccc(C2CCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ZRFNCJHLUWSKMQ-UHFFFAOYSA-N
-rxn:4:183273:227830,CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,FMKKGDHUWFFNII-UHFFFAOYSA-N
-rxn:4:183273:227846,Cn1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc21,QIFVPLLZJPMMNX-UHFFFAOYSA-N
-rxn:4:183273:227853,Cn1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,GRTINFBMJLUNFG-UHFFFAOYSA-N
-rxn:4:183273:227857,Cn1ccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,XFUNEMNDHDTIFD-UHFFFAOYSA-N
-rxn:4:183273:227877,Cc1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2s1,YKPKJJJVFKDFJH-UHFFFAOYSA-N
-rxn:4:183273:227893,CN(C)Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SFJIHFTXMQTRKX-UHFFFAOYSA-N
-rxn:4:183273:227894,N#C/C=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XWRLEZYJVIGZIB-DUXPYHPUSA-N
-rxn:4:183273:227896,N#CC=Cc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HFBWHQMDTBDGRT-UHFFFAOYSA-N
-rxn:4:183273:227897,N#CC=Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XWRLEZYJVIGZIB-UHFFFAOYSA-N
-rxn:4:183273:227903,CCN(C)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OWMXNULLNAJCBF-UHFFFAOYSA-N
-rxn:4:183273:227926,CC(C)Sc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LJVFIDLXGICRCO-UHFFFAOYSA-N
-rxn:4:183273:227928,CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C,XKXFTVTZONZMQW-UHFFFAOYSA-N
-rxn:4:183273:227950,Cc1ccc(N(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NMQRQOKMWQOCBE-UHFFFAOYSA-N
-rxn:4:183273:227951,C[N+](C)(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,STLIGNDYGMNMLT-UHFFFAOYSA-N
-rxn:4:183273:227985,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,DLZVXPWGAURVTI-UHFFFAOYSA-N
-rxn:4:183273:228016,c1cc2c(cc1-c1cc(C3CCCC3)cs1)OCCOCCOCCOCCOCCOCCO2,KHSBKFIBVSKWLE-UHFFFAOYSA-N
-rxn:4:183273:228031,Cn1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2n1,UOKMFKUPQSWSRO-UHFFFAOYSA-N
-rxn:4:183273:228048,Cn1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cnc21,GSICEEMVJKXAJA-UHFFFAOYSA-N
-rxn:4:183273:228051,Cn1cnc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,AIYIIFKGLNQZGG-UHFFFAOYSA-N
-rxn:4:183273:228086,N#CCOc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SQRZXTOCRQEHIZ-UHFFFAOYSA-N
-rxn:4:183273:228101,N#Cc1cc(C#N)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LMIPKUDYPMUHSR-UHFFFAOYSA-N
-rxn:4:183273:228104,N#Cc1cccc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DLEMFXMPSZEKKS-UHFFFAOYSA-N
-rxn:4:183273:228108,CCc1ncc(C#N)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IHURBPUMQYLMCE-UHFFFAOYSA-N
-rxn:4:183273:228140,CC(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1)N(C)C,ZCIHPDHLUZQLAB-UHFFFAOYSA-N
-rxn:4:183273:228200,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C2CCCC2)n1,ANWMAZNIIANKNS-UHFFFAOYSA-N
-rxn:4:183273:228210,c1cc2c(cc1-c1ccc(N3CCCC3)s1)OCCOCCOCCOCCOCCOCCO2,NAOSCWIWVPSUQA-UHFFFAOYSA-N
-rxn:4:183273:228289,Cn1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,GGYLRCRXTMCZSZ-UHFFFAOYSA-N
-rxn:4:183273:228353,CN(C)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,URFSDOUIKYUHTQ-UHFFFAOYSA-N
-rxn:4:183273:228367,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],IVOIOFOLUURAFR-UHFFFAOYSA-N
-rxn:4:183273:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VLIJSIPUEZCVEI-UHFFFAOYSA-N
-rxn:4:183273:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RCIPUHZEUOYMGH-UHFFFAOYSA-N
-rxn:4:183273:228514,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)c1,VEVGGLILDJQKPY-UHFFFAOYSA-N
-rxn:4:183273:228545,N#CCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,INXUDBINIAIWRI-UHFFFAOYSA-N
-rxn:4:183273:228552,CCOc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,HPPBNGYDBHIADR-UHFFFAOYSA-N
-rxn:4:183273:228579,Cc1ccc(C#N)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DGNPMLIUYTURPY-UHFFFAOYSA-N
-rxn:4:183273:228597,Cc1cccc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DFNBVZLMGMJHGT-UHFFFAOYSA-N
-rxn:4:183273:228601,CC(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DTPQPVKDJMNCEW-UHFFFAOYSA-N
-rxn:4:183273:228693,CCN(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,WOXXQDMOVCLLRT-UHFFFAOYSA-N
-rxn:4:183273:228700,CN(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,JGOJIRUEIGRLNJ-UHFFFAOYSA-N
-rxn:4:183273:228703,c1cc2c(cc1-c1cnn(C3CCC3)c1)OCCOCCOCCOCCOCCOCCO2,SUDQBFRLCXHBMU-UHFFFAOYSA-N
-rxn:4:183273:228704,CCn1nc(C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C,ROHHDLGOVJWVJP-UHFFFAOYSA-N
-rxn:4:183273:228705,CN(C)c1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AABDMNFRBNUWRY-UHFFFAOYSA-N
-rxn:4:183273:228706,CN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,KWOKDUSRCVHYEQ-UHFFFAOYSA-N
-rxn:4:183273:228712,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C2CCC2)n1,YZHYERGAQCHMPV-UHFFFAOYSA-N
-rxn:4:183273:228721,CC(C)(C)n1nccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JXIHTDUXTBRTJA-UHFFFAOYSA-N
-rxn:4:183273:228751,N#Cc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IXIWJOKPDMKUKT-UHFFFAOYSA-N
-rxn:4:183273:228803,C[Si](C)(C)c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VSAAKDPFZWDLJN-UHFFFAOYSA-N
-rxn:4:183273:228893,O=[N+]([O-])c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OWBZKFZXCCXRIM-UHFFFAOYSA-N
-rxn:4:183273:228964,COC(=O)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,UYSYDVDBOAOKDS-UHFFFAOYSA-N
-rxn:4:183273:228965,O=[N+]([O-])c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,SOVHQEUXYGTXNU-UHFFFAOYSA-N
-rxn:4:183273:229062,Cn1c(C#N)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FWHZCKUTXOVBAT-UHFFFAOYSA-N
-rxn:4:183273:229069,COc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RIFSXTXXTPUFCC-UHFFFAOYSA-N
-rxn:4:183273:229146,COCn1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,BDDSUGHRLZEELN-UHFFFAOYSA-N
-rxn:4:183273:229152,Cn1ncc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RKOIZJZKPUOBNB-UHFFFAOYSA-N
-rxn:4:183273:229167,CN(C)c1nc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cs1,VIQCDEDRXJJONG-UHFFFAOYSA-N
-rxn:4:183273:229230,N#Cc1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GWOSLUFQCWWXAR-UHFFFAOYSA-N
-rxn:4:183273:229248,Cc1cnn(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IPWSLXXMGUZIQJ-UHFFFAOYSA-N
-rxn:4:183273:229269,CCn1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n1,UTPBCVUPZNDYPY-UHFFFAOYSA-N
-rxn:4:183274:227592,COc1cc(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1OC,LLJOAGKKHYAFCK-UHFFFAOYSA-N
-rxn:4:183603:223649,CN(C)CCOc1ccc(OC(F)(F)F)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JBZYIQGUGFWCMT-UHFFFAOYSA-N
-rxn:4:183645:225433,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CSC3CCCC3)cc2)cc1OCC(F)F,BUQWPILDDADEHJ-UHFFFAOYSA-N
-rxn:4:183704:225196,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2cc(Cl)c(F)c(OC3CCCC3)c2)cc1F,RIIXDWGTPZGGOW-INIZCTEOSA-N
-rxn:4:183733:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)CCC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(F)c2)C1,RFMYCSSDMLFGOS-UHFFFAOYSA-N
-rxn:4:183831:223663,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cc(OCc2ccccc2)cc(OC(F)(F)F)c1)C1CC1,PSNMHZDTEURWEB-UHFFFAOYSA-N
-rxn:4:183862:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC4CCN(CC(=O)OC)CC4)cc3)cc2)CC1,GUEPKXAGYRGBSB-ALOJWSFFSA-N
-rxn:4:183882:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,KOZZCTQQQOWXSG-UHFFFAOYSA-N
-rxn:4:183896:224941,COc1ccc(-c2ccc(CCN3CCOCC3)cc2)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1,GEGPUMLJDUZFPP-UHFFFAOYSA-N
-rxn:4:183999:224977,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(N3CCCCC3)c(C#N)c2)c(F)c1)C1CCCC1,LTOYQCJVBGIARH-UHFFFAOYSA-N
-rxn:4:184006:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(C(=O)c4ccc(OC)c(OC)c4)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,YQTUQSJHKKPOLT-UHFFFAOYSA-N
-rxn:4:184032:223752,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c1,NUXWVHAJTVREKZ-UHFFFAOYSA-N
-rxn:4:184033:227007,CC(C)OCc1cccc(-c2ccc(S(=O)(=O)OC3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,QGBLPPGQVOUVNJ-UHFFFAOYSA-N
-rxn:4:184068:225805,CC(c1ccc(-c2ccccc2CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)s1)N1CCOCC1,GEMZCGCZQCWSMZ-UHFFFAOYSA-N
-rxn:4:184081:222741,COc1cc(C=C2N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,OOLSNSYCHCFOEI-UHFFFAOYSA-N
-rxn:4:184085:228477,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cnccc1C(F)(F)F,IPWMSHMILAYREV-UHFFFAOYSA-N
-rxn:4:184087:226556,CCCOc1cc(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)cc(Cl)c1F,NSOMVTRZPQFRDZ-UHFFFAOYSA-N
-rxn:4:184095:222886,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,YMEHJKJBYUBURT-RUZDIDTESA-N
-rxn:4:184096:225513,COc1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1Cl,LLEHNVVFOMLSOI-UHFFFAOYSA-N
-rxn:4:184099:222526,CC(c1ccc(-c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HVZUMAQUSWOMTM-UHFFFAOYSA-N
-rxn:4:184099:224034,CCCCc1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)cc1,JYZXVOFQMVGZGY-UHFFFAOYSA-N
-rxn:4:184128:223748,COC(=O)c1c(C)oc2cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,SNWNSKYDLAXJRW-UHFFFAOYSA-N
-rxn:4:184222:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,BGQAJJRPNLGCKR-UHFFFAOYSA-N
-rxn:4:184249:224060,COc1c(C(C)(C)C)cc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)cc1C(C)(C)C,BKAXZJXZMOGOLX-UHFFFAOYSA-N
-rxn:4:184260:223928,COC(=O)Cc1nc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)sc1C(=O)OC,WIAYQWUKEZDHPI-UHFFFAOYSA-N
-rxn:4:184307:224552,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)cc(COC3CCCCC3)c2)cc1OC(F)(F)F,VIGBWGIBHYMIES-UHFFFAOYSA-N
-rxn:4:184308:225338,O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1ccc(F)c(COCC(F)(F)F)c1,WSKSGEFJEXHJDH-UHFFFAOYSA-N
-rxn:4:184738:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCC4)c(OCC(F)(F)F)c3)cn2)CC1,JVLPWUZHXGAMMJ-UHFFFAOYSA-N
-rxn:4:184747:223895,CCOC(=O)c1sc(-c2ccc(OCCN3CCN(CC)CC3)cc2)nc1-c1ccc(C(F)(F)F)cc1,VXAKONQOPAVWTO-UHFFFAOYSA-N
-rxn:4:184771:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(F)(F)F)c(C(=O)N(CC)CC)c3)c2)CC1,FUHRQQPAIYIUIA-UHFFFAOYSA-N
-rxn:4:184872:222710,CCCOc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)ccc1C(=O)N1CCC1,FIMKJWHKSJYCGZ-UHFFFAOYSA-N
-rxn:4:184908:224403,COc1ccc(OCC(=O)N2CCCC2)c(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,OXPBZMROESGFIN-UHFFFAOYSA-N
-rxn:4:184930:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCOCC1,BXLQNRFQKSPWNS-UHFFFAOYSA-N
-rxn:4:184931:224501,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(OCC4CCCCN4C)cc3)c2)SC1=S,DULXZBCLQVTFOP-UHFFFAOYSA-N
-rxn:4:184937:223529,CCN(CC)Cc1ccc(S(C)(=O)=O)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VNJSKEIBAOLXIQ-UHFFFAOYSA-N
-rxn:4:185013:222826,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,JTTOKTFPJAHUOZ-UHFFFAOYSA-N
-rxn:4:185046:225733,CCCCOc1cc(-c2ccc(OCCCN3CCC(F)(F)CC3)c(F)c2)c(F)cc1F,VWJQPQKUMSMSIE-UHFFFAOYSA-N
-rxn:4:185051:224780,FC(F)(F)CN1CCC(COc2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2)CC1,YRIRVZMBLZMZQC-UHFFFAOYSA-N
-rxn:4:185052:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(OCC4CCN(CC(F)(F)F)CC4)c3)c(F)cc(F)c2s1,KPMBOJWBRGQJRE-UHFFFAOYSA-N
-rxn:4:185062:226496,CCN(CC)c1cc(F)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)cn1,OHHWJUABFZLFTA-UHFFFAOYSA-N
-rxn:4:185079:222814,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2F)cc1,VBPVYGTZNCZSSQ-UHFFFAOYSA-N
-rxn:4:185116:224151,Cc1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)cc(Cl)c1OCc1ccccc1,VIBCOTGXIDHPNJ-UHFFFAOYSA-N
-rxn:4:185135:225223,COC(=O)C1CCN(CCc2cc(-c3cnc(N4CCC(C)CC4)cc3F)ccc2Cl)CC1,OEQGCANDHUCXCM-UHFFFAOYSA-N
-rxn:4:185145:225394,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2)C1,ACHVUBQEJNWOPU-UHFFFAOYSA-N
-rxn:4:185150:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cccc12,KYSUEFUJYDLMBN-UHFFFAOYSA-N
-rxn:4:185160:224751,COC(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c(CN2CCCC(C(F)(F)F)C2)c1,PNWJESNXGDJWQD-UHFFFAOYSA-N
-rxn:4:185199:224877,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(COC3CCCCC3)cc2)c1,GMLXWELHEVFEIW-UHFFFAOYSA-N
-rxn:4:185239:224656,COc1ccc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)c(F)c1OC1CCCC1,AZGIHKBUYBVSSM-UHFFFAOYSA-N
-rxn:4:185247:223044,COc1cc(-c2ccc(C(=O)NC(C)C)c(F)c2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,DXXFIWQABFMOQI-UHFFFAOYSA-N
-rxn:4:185255:222845,COc1ccccc1C(=O)N(c1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1)C1C=CS(=O)(=O)C1,GTLPUNTWIJEFHG-UHFFFAOYSA-N
-rxn:4:185255:222856,COc1ccccc1C(=O)N(c1ccc(-c2cc(C3CCNCC3)ccc2OC)cc1)C1C=CS(=O)(=O)C1,SBCQZHSEZIDWLQ-UHFFFAOYSA-N
-rxn:4:185259:225267,CCCOc1ccc(-c2cc(C(C)C)ccc2OCC(=O)N2CCCCC2)c(C(F)(F)F)c1,BAOLUEOQGOLZAR-UHFFFAOYSA-N
-rxn:4:185289:222701,O=C(c1ccccc1F)N(Cc1cccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)c1)C1CCS(=O)(=O)C1,ONQFYLPEEMOJSK-UHFFFAOYSA-N
-rxn:4:185307:222985,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C2CCCNC2)nc1C,PATWLYSOFANUML-UHFFFAOYSA-N
-rxn:4:185308:223904,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,HVBSMPNXDSWHAM-UHFFFAOYSA-N
-rxn:4:185310:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,XWGBSYRLJXGKLQ-UHFFFAOYSA-N
-rxn:4:185355:223107,COc1ncc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1NS(C)(=O)=O,SKTCZDCVXLSTQW-UHFFFAOYSA-N
-rxn:4:185355:224014,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(-c4cccc(C(F)(F)F)c4)nc3Cl)c2)CC1,HBZXMFOLKLOHOA-UHFFFAOYSA-N
-rxn:4:185368:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCC(=O)N4CCCCC4)c(C(C)(C)C)c3)cc2)CC1,PHFPGCYZEBIAEG-UHFFFAOYSA-N
-rxn:4:185368:225307,CC(C)(C)c1cc(-c2ccc(C3COC3)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCCCC1,UXZNSYRWBDYWEL-UHFFFAOYSA-N
-rxn:4:185389:222632,Cc1ccc(C(=O)N(Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C2CCS(=O)(=O)C2)cc1,NPNUPEYCMFOEPS-UHFFFAOYSA-N
-rxn:4:185398:222636,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1,NRGPSWYYAVGTMR-OAQYLSRUSA-N
-rxn:4:185402:223845,CCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CC(C)CC(C)C1,SPZNAVKZZXUGGA-UHFFFAOYSA-N
-rxn:4:185413:224017,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,NYBIETIMJUMMAG-UHFFFAOYSA-N
-rxn:4:185415:222624,CC(C)Cc1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)n1,RJECIYNQHHYHAR-UHFFFAOYSA-N
-rxn:4:185418:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1,FZXXYYQUBGBEGV-UHFFFAOYSA-N
-rxn:4:185420:227038,COc1ccc(C(C)C)cc1-c1ccc(C2CC2)cc1C1CN(C(=O)OC(C)(C)C)CCO1,WMIJUSKHVCNLIH-UHFFFAOYSA-N
-rxn:4:185433:227050,Cc1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC(C)C,YXRISFPFAGZJOO-UHFFFAOYSA-N
-rxn:4:185440:227466,COCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cn1,JNQLNOBCKQDTHB-UHFFFAOYSA-N
-rxn:4:185487:223568,CCC(CC)n1ccc2c(C(=O)OC)cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc21,HFGAFUOBTBKGON-UHFFFAOYSA-N
-rxn:4:185496:224420,COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc12,XBPSUJBXGBRKRJ-UHFFFAOYSA-N
-rxn:4:185567:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,QHNWPDPXJMUVMU-UHFFFAOYSA-N
-rxn:4:185626:225381,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)O1,QKGPHJDNUCAUPU-WNJJXGMVSA-N
-rxn:4:185629:225197,Cc1oc2cc(OCCN3CC(C)OC(C)C3)ccc2c(=O)c1-c1ccc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cc1,XRXDDCUOPQJTNR-UHFFFAOYSA-N
-rxn:4:186035:222447,CCOC(=O)c1ccnc(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)c1C(F)(F)F,PHURXRDYNDDMFG-UHFFFAOYSA-N
-rxn:4:186158:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(OCC4CC4)cc([N+](=O)[O-])c3)c(F)c2)CC1,YOGRBGGXDHLOMZ-UHFFFAOYSA-N
-rxn:4:186178:223842,COC(=O)Cc1cc(C)c(C#N)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,MASURTUIWDJTLP-UHFFFAOYSA-N
-rxn:4:186206:223842,CCOC(=O)c1cc(C#N)cc(C)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,CXWNENKGWAJBBO-UHFFFAOYSA-N
-rxn:4:186368:223522,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1OC,CZNADYZTROYZGX-UHFFFAOYSA-N
-rxn:4:186368:223846,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cc1OC,QCYVNYSKWBDDAT-UHFFFAOYSA-N
-rxn:4:186368:224193,CCN1CCN(Cc2cc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)ccc2F)CC1,NPKLTRCYHDLVCZ-UHFFFAOYSA-N
-rxn:4:186368:224719,COC(=O)c1cc(S(N)(=O)=O)c(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc1OC,LCULCIOUKCSECU-UHFFFAOYSA-N
-rxn:4:186443:223542,CCCC(=O)N(C)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1,XAKFUOGXQFWZNZ-UHFFFAOYSA-N
-rxn:4:186460:222514,COc1ccc(-c2cc([N+](=O)[O-])c(C)cc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,OJCPZKROCPIACC-UHFFFAOYSA-N
-rxn:4:186499:223539,COC(=O)c1ccc(Oc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)nc1,YKWGHSGAQZSPCE-UHFFFAOYSA-N
-rxn:4:186521:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(SCc4ccccc4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,UIPVQSZJPRRMDE-UHFFFAOYSA-N
-rxn:4:186764:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1SCCN1CCCC1,RHHDYAIPCVVYDD-UHFFFAOYSA-N
-rxn:4:186799:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OCC(=O)N2CCOCC2)c(F)c1,ZAIKVAFKZGYCGJ-UHFFFAOYSA-N
-rxn:4:186807:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCOCC3)c2)cc1,QWNBITRJKXMKTG-UHFFFAOYSA-N
-rxn:4:186821:223032,CCCNC(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCOCC3)c2)c(F)c1,FSLNMFWSRWEAFF-UHFFFAOYSA-N
-rxn:4:186899:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1ccc(CN2CCOCC2)c(OC(F)(F)F)c1,GWQAYVHPJNGKLO-UHFFFAOYSA-N
-rxn:4:186949:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(OCC(=O)N4CCCCC4)c3)c2)C1,OMQFKQNMPZOWGM-UHFFFAOYSA-N
-rxn:4:186995:223559,COc1ccc(N(C)C(=O)c2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,KMAIXYPWMZAKSO-UHFFFAOYSA-N
-rxn:4:186996:224818,Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)ccc1OCC(=O)N1CCC(F)(F)C1,MIIYFQJNLQSAKD-UHFFFAOYSA-N
-rxn:4:186999:225166,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2ccc(C(=O)N3CCCC3)c(F)c2)c1,VLERKTMGCGFNEH-UHFFFAOYSA-N
-rxn:4:187000:224459,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cc2)C1,CDOKIVQKVAZYLJ-UHFFFAOYSA-N
-rxn:4:187015:225095,CCOC(=O)c1ccc(OCC)c(-c2cc(OC(F)(F)F)cc(C(=O)N3CCCCC3)c2)c1,GFCYPTHDUQVFGE-UHFFFAOYSA-N
-rxn:4:187055:222684,O=[N+]([O-])c1cc(OCC2CCCCC2)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,OJIRKSSQRWMSTD-UHFFFAOYSA-N
-rxn:4:187064:224195,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(Cl)c(CN2CCN(CC)CC2)c1,KQYRBVTTXSLLAS-UHFFFAOYSA-N
-rxn:4:187074:224827,COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2C(=O)OC)cc1CN1CCOCC1,MUEJUDYKYLPGIW-UHFFFAOYSA-N
-rxn:4:187080:223500,CCOc1cccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1CN1CCC(F)(F)C1,QKQSGDGPNMHUFM-UHFFFAOYSA-N
-rxn:4:187082:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(F)c([N+](=O)[O-])c(OCC2CCCCC2)c1,KEFWXGDEFXLBEU-UHFFFAOYSA-N
-rxn:4:187142:225852,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cnc(C3CCCCC3)nc2Cl)SC1=S,RZLUGENKBGXWEC-UHFFFAOYSA-N
-rxn:4:187152:222584,O=C(Cc1ccc(F)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1)N1CCC(C(F)(F)F)CC1,YQBCZCZPHBWRHR-UHFFFAOYSA-N
-rxn:4:187185:222779,COC(=O)C1(C)CCN(Cc2ccc(-c3ccncc3CNC(=O)OC(C)(C)C)cc2)C1,LXVWRZIYUDABDO-UHFFFAOYSA-N
-rxn:4:187185:223888,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2)C1,DSKZRYADSKUTQN-UHFFFAOYSA-N
-rxn:4:187192:224061,CCCC1CCC(c2ccc(-c3ccc([C@H](C)N4CCC[C@H]4C(=O)OC)cc3)c(F)c2)CC1,ATSJFSODVRYDTP-YZJYDPSMSA-N
-rxn:4:187192:224458,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C(C)N3CCC(C)CC3)cc2)cc1,GVZMKRIOKTVUMQ-PPYNKBHJSA-N
-rxn:4:187212:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cn2)CC1,GTLABMOGLLYHHZ-UHFFFAOYSA-N
-rxn:4:187212:224653,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)c(F)c2)C1,BYBKXNRUCVESGP-UHFFFAOYSA-N
-rxn:4:187245:222729,CCCc1cc(-c2ccc(CN3CCC(F)(F)CC3)c(C(=O)OC)c2)cc(C2CCCNC2)n1,WLFBWTCCWFUNSL-UHFFFAOYSA-N
-rxn:4:187276:226501,CCOC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cnc1C,CIYBIUHIJJCYFY-UHFFFAOYSA-N
-rxn:4:187304:222465,COC1CCN(CCc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc2F)CC1,ONZMBKHJLNMWIU-UHFFFAOYSA-N
-rxn:4:187310:222717,Cc1cc(-c2cc(Cl)cc(F)c2OCCN2CCCCC2C)c(S(=O)(=O)NC(C)(C)C)cc1F,OLSMGWXKBNIOLB-UHFFFAOYSA-N
-rxn:4:187321:225382,CCOc1cccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c1CN1CCCC(F)(F)C1,FWGNAJCKXWDVOU-UHFFFAOYSA-N
-rxn:4:187324:224817,COc1c(Cl)cc(C(=O)N2CCC(OC)CC2)cc1-c1ccccc1S(=O)(=O)N1CCOCC1,GSDPDCCIPVIDJQ-UHFFFAOYSA-N
-rxn:4:187350:222612,COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)c3)SC2=S)cc1,NTBAXXHZLYSEIF-UHFFFAOYSA-N
-rxn:4:187374:224321,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1,ZRSDIXIHDNAIAE-UHFFFAOYSA-N
-rxn:4:187378:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(C)C3)cc2F)CC1,XIHHNMBVZCNAGL-UHFFFAOYSA-N
-rxn:4:187389:222927,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnc(N2CCCCC2O)nc1C,ZTUCOLXFALUENJ-UHFFFAOYSA-N
-rxn:4:187427:224853,COC(=O)c1cc(-c2ccc(C3CCC(C)(C)CC3)cc2)ccc1CN1CCCC(C)C1,VAURGWJMYGFRTJ-UHFFFAOYSA-N
-rxn:4:187433:222944,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(CN2CCCC(C)C2)c1,FRFOUNAGHDOTMS-UHFFFAOYSA-N
-rxn:4:187439:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)co2)c1,PZJMTWTVMGIDIN-UHFFFAOYSA-N
-rxn:4:187482:223489,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCCC(C)C1,SMSZSPCYMUUSEO-UHFFFAOYSA-N
-rxn:4:187483:224963,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(COC3CCOCC3)c2)c(OC)c1,MGPJZAMHZBBQQL-UHFFFAOYSA-N
-rxn:4:187500:225333,COc1cc(-c2ccc(COCC(F)(F)F)c(F)c2)cc(OC)c1C(=O)N1CCCCC1C,ZHALCUMZRWNISN-UHFFFAOYSA-N
-rxn:4:187540:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(CN(C)C(C)C)cc(C(C)(C)C)c2)cc1,JOHMPBHKHHAZKE-UHFFFAOYSA-N
-rxn:4:187547:224810,CCN(C(=O)c1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(C)c1)C1CCCCC1,XWLTUIUOZSLSQC-UHFFFAOYSA-N
-rxn:4:187550:223076,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1cccc(S(=O)(=O)NC2CC2)c1,FJTNMPRTPKJODZ-UHFFFAOYSA-N
-rxn:4:187570:223960,CCN1CCN(C(=O)c2cc(-c3c(C)cc(OCC(=O)N4CCC(C)CC4)cc3C)ccc2F)CC1,FAPBTLCNVCLBED-UHFFFAOYSA-N
-rxn:4:187570:225656,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(N2CCCCC2C)c1,BOBFAVWJXKZDAW-UHFFFAOYSA-N
-rxn:4:187585:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2cc(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,WCUBHUXJZROPJH-UHFFFAOYSA-N
-rxn:4:187602:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4cccc(CN5CCCCC5)c4)cc3)cc2F)CC1,RLQFHKYVQSFCCJ-UHFFFAOYSA-N
-rxn:4:187607:223490,Cc1ccc(-c2ccc(C(=O)c3cccc(CN4CCCCC4)c3)cc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OUHOCPWGXYCOLL-UHFFFAOYSA-N
-rxn:4:187633:226056,CC(C)(C)OC(=O)N1CCOC(C)(c2cccc(-c3c4c(cc5c3CCC5)CCC4)c2)C1,LJCLHQUNJZIBLT-UHFFFAOYSA-N
-rxn:4:187656:222894,CCCCS(=O)(=O)Nc1cccc(-c2cc(C)c(S(=O)(=O)N(CC)C3CCCCC3)cc2C)c1,BXNTZUXVZIREEK-UHFFFAOYSA-N
-rxn:4:187661:226059,Cc1c(-c2ccc(C(C)C)cc2C(C)C)cccc1C1CCN(C(=O)OC(C)(C)C)CC1,HBPAEWDKTTUGSJ-UHFFFAOYSA-N
-rxn:4:187687:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3)cn2)CC1,ILNPTULYYIPTCJ-UHFFFAOYSA-N
-rxn:4:187795:223835,CCOC(=O)c1cn(CC)c2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)ccc2c1=O,NMMAWDLTTOXUIK-UHFFFAOYSA-N
-rxn:4:187925:224253,CCOc1cc(S(=O)(=O)N2c3ccccc3CC2C)ccc1-c1ccc(F)c(C(=O)N2CCCCC2C)c1,XDMWBYHQEKCRNH-UHFFFAOYSA-N
-rxn:4:187936:222684,COc1cc(S(=O)(=O)N2CCCc3ccccc32)c(OC)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,XYZOMKXLOFFPMQ-UHFFFAOYSA-N
-rxn:4:187936:223696,COc1cc(S(=O)(=O)N2CCCc3ccccc32)c(OC)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,VZLFOMHFQWQKQR-UHFFFAOYSA-N
-rxn:4:187957:222684,O=C1C(=Cc2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21,XQHNAQLKYBPICV-UHFFFAOYSA-N
-rxn:4:187961:224968,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(C)ccc3OCC3CCCO3)cc1)CC(C)(C)CC2=O,ZGGJEYOUVDDRLS-UHFFFAOYSA-N
-rxn:4:188013:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)cc1,QAZKLJJKNCJOOS-UHFFFAOYSA-N
-rxn:4:188022:225374,COc1ccc(C2c3c(oc4ccc(-c5cc(OC(F)(F)F)cc(OC)c5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,RYPUDHSYVYMYRC-UHFFFAOYSA-N
-rxn:4:188052:223506,CCOC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)no1,RIDMGOKCXNISLR-UHFFFAOYSA-N
-rxn:4:188157:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(OC(F)(F)F)ccc3[N+](=O)[O-])c2)CC1,ZDUHHRGWYPPAMR-UHFFFAOYSA-N
-rxn:4:188590:223507,COc1cc(OC)c(C#N)c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,AHTXBRLNXHNAJD-UHFFFAOYSA-N
-rxn:4:188681:222585,NS(=O)(=O)c1cc(-c2ccccc2C(=O)NCCN2CCOCC2)ccc1OC(F)(F)F,NUWUMPCIZMGXGE-UHFFFAOYSA-N
-rxn:4:188681:223582,COC(=O)c1ccc2cc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)n(C(=O)OC(C)(C)C)c2c1,AGCUCQYQTFQNSY-UHFFFAOYSA-N
-rxn:4:188735:223540,COc1cc(OC)c([N+](=O)[O-])c(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1,NCLWIWBXWAQVDN-UHFFFAOYSA-N
-rxn:4:188999:223594,CC(C)Oc1c(F)cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],TVFTVCIHVBYNPQ-UHFFFAOYSA-N
-rxn:4:189106:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(S(N)(=O)=O)cc3OC)c(F)cc2C)CC1,JWJLMIAQWNXYPL-UHFFFAOYSA-N
-rxn:4:189421:222514,COc1ccc(-c2ccc(OC(C)C)c(S(N)(=O)=O)c2)cc1S(=O)(=O)NC1CCCCC1,WTZAHZOXDCHPEI-UHFFFAOYSA-N
-rxn:4:189702:224459,CC(C)(C)c1cc(-c2ccc(C(=O)N3CCC(S(C)(=O)=O)C3)o2)ccc1N1CCCC1,LYSXXHZUXZYGHF-UHFFFAOYSA-N
-rxn:4:189756:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc(C(F)(F)F)c(F)c1C(=O)N1CCCC1,IHDDAESOWXCBEV-UHFFFAOYSA-N
-rxn:4:189865:224400,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,FQXRMLJGKCBDEC-UHFFFAOYSA-N
-rxn:4:189927:222723,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,WWIDEUNWWNMTBB-UHFFFAOYSA-N
-rxn:4:190016:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1,KVHDCPFHMVJMBJ-UHFFFAOYSA-N
-rxn:4:190057:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)ccc1CC(=O)N1CCCC(F)(F)C1,NQJGFSJGCTZLFX-UHFFFAOYSA-N
-rxn:4:190104:224061,CCCC1CCC(c2ccc(-c3nccc(C4CCCCC4)c3C(=O)OC)c(F)c2)CC1,FVTVAAZQEXVNCF-UHFFFAOYSA-N
-rxn:4:190111:222624,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,WAZVTSGRSPQTGT-UHFFFAOYSA-N
-rxn:4:190111:224125,CCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,PXQQAXBCGJTYNH-UHFFFAOYSA-N
-rxn:4:190137:224804,CC(C)Oc1ccc(-c2ccc(CCN3CCC(F)(F)CC3)cc2F)cc1OC(F)(F)F,ACOKELUZKHWJEN-UHFFFAOYSA-N
-rxn:4:190178:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCCC(F)(F)C4)c(C(F)(F)F)c3)c2)CC1,SBWISHDQOSKMFZ-UHFFFAOYSA-N
-rxn:4:190216:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1,MEBXKPIBSCEXST-UHFFFAOYSA-N
-rxn:4:190254:224485,CC1CCN(C(=O)Cc2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,ZMGREHUFWKDGLU-UHFFFAOYSA-N
-rxn:4:190275:223054,COc1cc(C)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(=O)(=O)N1CCOCC1,PUDWICYXTQUVMG-UHFFFAOYSA-N
-rxn:4:190275:225221,COc1cc(C)c(-c2cc(N3CCCC(C)C3)ncc2F)cc1S(=O)(=O)N1CCOCC1,DVQYADYIMNBRSI-UHFFFAOYSA-N
-rxn:4:190295:223969,COc1ccccc1C=C1SC(=S)N(c2ccccc2-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)C1=O,SDAYEUJOPADPHK-UHFFFAOYSA-N
-rxn:4:190378:223540,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,IKIFKWUONCPDGN-UHFFFAOYSA-N
-rxn:4:190392:223107,COc1ncc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(F)c2)cc1NS(C)(=O)=O,WJWLYLOFFZJZNF-UHFFFAOYSA-N
-rxn:4:190426:223896,COc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)c1C(=O)N(C(C)C)C(C)C,UKRCHNLLAPXEBA-UHFFFAOYSA-N
-rxn:4:190433:226423,Cc1cc(-c2ccc(Cl)c(N3CCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,CIJOVXMOYCNPSJ-UHFFFAOYSA-N
-rxn:4:190475:222684,O=C(C1CCCCC1)N1CCCC1c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,FAAHMPQPSSTHOR-UHFFFAOYSA-N
-rxn:4:190475:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)cc1,JLMSKVPFIGMTKD-UHFFFAOYSA-N
-rxn:4:190475:223867,CC1CCN(CCCOc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,YOONIJRWRBWZBO-UHFFFAOYSA-N
-rxn:4:190772:223973,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)c(C(F)(F)F)c2)C1,DFYWKCBJIDCYRC-UHFFFAOYSA-N
-rxn:4:190928:222467,COC(=O)c1cc2c(c(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)c1)N(C(C)C)CCC2=O,JRAOTDIYIDZJGP-UHFFFAOYSA-N
-rxn:4:190947:224664,COC(=O)C1=CN(c2cccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)c2)c2ccc(F)cc2S1(=O)=O,QBBOJXKPYJCSHS-UHFFFAOYSA-N
-rxn:4:190972:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)o1,SLHSFJXDSMBWFC-UHFFFAOYSA-N
-rxn:4:190972:226425,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1,RKAFWAQYLLBJQL-UHFFFAOYSA-N
-rxn:4:190988:223810,Cc1cc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc(C)c1S(=O)(=O)N1CCC(C)CC1,GIGCWGGJPWFOMK-UHFFFAOYSA-N
-rxn:4:190988:224415,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)ccc2C1,OHWKJEHHSNDCAB-UHFFFAOYSA-N
-rxn:4:191039:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,WFVZPURMMSYKJT-UHFFFAOYSA-N
-rxn:4:191056:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)CCO3)cc1,YTGWHGZNALIYND-UHFFFAOYSA-N
-rxn:4:191062:223146,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CNCCO2)c1,QAQHURSWHFTWNQ-UHFFFAOYSA-N
-rxn:4:191062:226187,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CCOCC2)c1,MOGKLGPEVTWCQY-UHFFFAOYSA-N
-rxn:4:191062:226924,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c(C)c(C2CC2)c1,NVISXBPTHWLGKD-UHFFFAOYSA-N
-rxn:4:191084:223755,CC1CCN(CCCOc2ccc(-c3cccc(N4C=C(C(=O)c5ccccc5)S(=O)(=O)c5ccccc54)c3)cc2F)CC1,NHGNFRJCCFGELQ-UHFFFAOYSA-N
-rxn:4:191087:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,IVHBONFUVBWDRT-UHFFFAOYSA-N
-rxn:4:191089:222898,COC(=O)CNC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,GDNFQYJYBKYJJL-UHFFFAOYSA-N
-rxn:4:191090:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,IIKZGJSLYQOEHQ-UHFFFAOYSA-N
-rxn:4:191094:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)cc1,QQLXDOGPQLIJPZ-UHFFFAOYSA-N
-rxn:4:191097:222867,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc21,XZMOSCOSMVZPRR-UHFFFAOYSA-N
-rxn:4:191105:226154,COc1cc(C(C)(C)C)ccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,LSPSCYRZQNWUBS-UHFFFAOYSA-N
-rxn:4:191105:227046,Cc1cc(OC(C)C)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,IYXWTGYPBIPSET-UHFFFAOYSA-N
-rxn:4:191105:227241,CCOc1ccc(OC)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,AJYNFAZWKGCBIP-UHFFFAOYSA-N
-rxn:4:191123:227361,COc1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1C,JJKCBFHZUOIFFZ-UHFFFAOYSA-N
-rxn:4:191125:227364,COc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1C,OMBKEZXDRKPJHX-UHFFFAOYSA-N
-rxn:4:191129:224298,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)ccc3O2)CC1,ZSEIJYZLYBXITI-UHFFFAOYSA-N
-rxn:4:191152:222395,CCOC(=O)c1c2c(n(C)c1C)C(=O)C(=O)c1ccc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)cc1-2,WGTQKXRFMJMBPY-UHFFFAOYSA-N
-rxn:4:191194:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,VXEGQPPIVVTBNI-UHFFFAOYSA-N
-rxn:4:191195:225019,COc1ccccc1-c1cncc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,NLSUGAGQMGQQPQ-UHFFFAOYSA-N
-rxn:4:191195:225078,COC(=O)c1ccc2cccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c2n1,KDYHGQZLJINJLE-UHFFFAOYSA-N
-rxn:4:191195:229021,Cc1nccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1C,KPXSPSSNFKHQGM-UHFFFAOYSA-N
-rxn:4:191197:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C4c5c(oc6cc(C)c(C)cc6c5=O)C(=O)N4CC4CCCO4)c3)c2)CC1,CQZSKSYJGOOZPW-UHFFFAOYSA-N
-rxn:4:191204:222633,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc12,JGPLETBYSNWVJB-UHFFFAOYSA-N
-rxn:4:191206:226179,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cncc(C5CCCCC5)c4)c3)C3=C(CCCC3=O)N1CC2,XNQGJIQCYPAZCS-UHFFFAOYSA-N
-rxn:4:191314:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)ncc1OC(F)(F)F,FNVDKFCIDSGCLS-UHFFFAOYSA-N
-rxn:4:191956:223499,Cc1c(C#N)cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(F)(F)F,ICQHQINVHOMHDD-UHFFFAOYSA-N
-rxn:4:193131:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc(C2CCNCC2)n1,PZAOOEUJAXLMPX-UHFFFAOYSA-N
-rxn:4:193131:224059,COc1c(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,FJHAFVGQSBIXSE-UHFFFAOYSA-N
-rxn:4:193233:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)C1,LLNXSVRKVMVNLX-UHFFFAOYSA-N
-rxn:4:193238:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(F)c1,RJVVFRFEBBGLEM-UHFFFAOYSA-N
-rxn:4:193297:222645,OC1CCN(CCOc2cccc(-c3cc(C(F)(F)F)ccc3N3CCC(F)(F)C3)c2)CC1,KEHWBKXXZBWKLX-UHFFFAOYSA-N
-rxn:4:193457:223811,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1C1CCCCO1,JXAYXAKLYHSRKB-UHFFFAOYSA-N
-rxn:4:193475:223490,Cc1ccc(-c2ccc(F)cc2CN2CCC(=O)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JAHHJCXRNCRNCL-UHFFFAOYSA-N
-rxn:4:193554:223872,CCN(C(=O)c1cccc(-c2ccc(CN3CCOC34COC4)cc2)c1)C1CCCCC1,GQAMMDHRDPNAIU-UHFFFAOYSA-N
-rxn:4:193563:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,MZHVHKAUVNMOPF-UHFFFAOYSA-N
-rxn:4:193697:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,NNYIAFOFQMXKHR-UHFFFAOYSA-N
-rxn:4:193697:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cc2)CC1,ZXOALNASTVIBBC-UHFFFAOYSA-N
-rxn:4:193759:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C(=O)N4CCCCC4C)ccc3F)c2)CC1,UXYVSVGDXRCOFL-UHFFFAOYSA-N
-rxn:4:193826:224089,CC1CCN(CCOc2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3)cc2)CC1,YXPKBIPPECENPG-UHFFFAOYSA-N
-rxn:4:193975:224821,O=S(=O)(c1cc(-c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCS3)ccc1F)N1CCCC1,BSPXFRRVTIBIJV-UHFFFAOYSA-N
-rxn:4:194001:224460,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1cc(C2CC2)cc(N2CCCCC2)c1,LVJCPOUFVDIBCA-UHFFFAOYSA-N
-rxn:4:194407:223658,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)o1)N1CC2CC1CS2(=O)=O,BBPJQYMAIXVERA-UHFFFAOYSA-N
-rxn:4:194421:223985,COc1ccc(-c2cccc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCCCC1,JYKMXBKJAFJKTO-UHFFFAOYSA-N
-rxn:4:194693:223834,Cc1cc(-c2ccc(C3(N4C(=O)c5ccccc5C4=O)CC(=O)C3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GPYUENHMQZTUPM-UHFFFAOYSA-N
-rxn:4:194697:222648,Cc1cc(C)c(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1NC(=O)OC(C)(C)C,ATEKIJBFKNIICT-UHFFFAOYSA-N
-rxn:4:194697:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=NS(=O)C(C)(C)C)CCC2,DKVLJGRABBBMOJ-UHFFFAOYSA-N
-rxn:4:194708:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cccc4c3CCN(C(=O)C3CCOCC3)C4)c2)CC1,IDENGEKDBJTSCS-UHFFFAOYSA-N
-rxn:4:194731:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)C(N1CCC(OC)CC1)CC2,CDIRTXSPYXJHNQ-UHFFFAOYSA-N
-rxn:4:194731:224662,COC1CCN(C2CCc3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc32)CC1,QMOCWPKDQFTZGM-UHFFFAOYSA-N
-rxn:4:194750:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,JYPKFWHGFXTTNQ-UHFFFAOYSA-N
-rxn:4:194751:222395,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)ccc21,GGKFCMYOIHXLOZ-UHFFFAOYSA-N
-rxn:4:194751:225086,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccc(OCCCN(C)C)c(Cl)c3)ccc21,WEUIBONKQVGYEF-UHFFFAOYSA-N
-rxn:4:194776:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3(N4C(=O)c5ccccc5C4=O)CC4(C3)OCCO4)cc2)c(C)c1,CNINIHUWIMAMNR-UHFFFAOYSA-N
-rxn:4:194783:223568,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)c2ccc(C)cc21,PVQJDUJXIXCVGW-UHFFFAOYSA-N
-rxn:4:194785:223690,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cn1S(=O)(=O)c1ccc(C)cc1,YRXIYYOLZYCEQB-UHFFFAOYSA-N
-rxn:4:194793:226717,CCOc1ccc(-c2ccc(N3C(=O)C4C(c5cccc(F)c5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1[N+](=O)[O-],LFVMQMLLZLSISF-UHFFFAOYSA-N
-rxn:4:194794:223910,COc1ccc(COc2cccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(F)cc6)C(=O)C45)cc3)c2Cl)cc1,YFPQEPPADDOJES-UHFFFAOYSA-N
-rxn:4:194798:222684,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)C(=O)C23)cc1,MHTUKCJRUDSHLT-UHFFFAOYSA-N
-rxn:4:197021:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4C(=O)CC(C)(C)C4=O)c3)c(F)ccc21,HLXSIWOKDZKIKU-UHFFFAOYSA-N
-rxn:4:197307:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)nc4c(Cl)ccc(F)c34)c2)CC1,AUBNKRMATOQMLS-UHFFFAOYSA-N
-rxn:4:197727:223712,COc1ccc(-c2ccc3c(c2)OC(=O)N(C2CC2)C3)cc1C12CC3CC(CC(C3)C1)C2,PLOFEGRXPHITCV-UHFFFAOYSA-N
-rxn:4:197952:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc2c1CCC2N1CCCC(F)(F)C1,JRDGPFSZUGDQPD-UHFFFAOYSA-N
-rxn:4:197982:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(c2ccc4c(c2)OCCO4)C(=O)CO3)cc1,RSSAOHWGDPHBGF-UHFFFAOYSA-N
-rxn:4:199472:222448,Cc1[nH]nc(C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1-c1cc(C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1,NWWZQRFVRMXCAF-UHFFFAOYSA-N
-rxn:4:199500:222898,COC(=O)CNC(=O)c1ccc(-c2cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc2)cc1,AYZALFDLRVTIGC-UHFFFAOYSA-N
-rxn:4:199528:223973,CCn1c(SCC(=O)c2ccc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cc2)nc(C(F)(F)F)cc1=O,ZLPWFGIPXYORSK-UHFFFAOYSA-N
-rxn:4:199575:225160,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)ccc1Cl)N1CCCC1,LAZGYGLWSZDIMT-UHFFFAOYSA-N
-rxn:4:199614:225228,CN1CCN(c2ccc(-c3ccc(OC4CCN(C(=O)c5cccc(OC(F)(F)F)c5)C4)nc3)c(F)c2)CC1,ZZXPHMNXTWPSBX-UHFFFAOYSA-N
-rxn:4:199617:222655,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)nc1)C1CCC1,UBXKCRBYCQJZKZ-UHFFFAOYSA-N
-rxn:4:199622:225320,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)CC1,UIGMTUQKTLLHOD-UHFFFAOYSA-N
-rxn:4:199662:224734,O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cn2)C1,TYWIIBYDKJVVGD-UHFFFAOYSA-N
-rxn:4:199669:227551,COC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)ccc1Cl,TXBLIAXDQVGNLL-UHFFFAOYSA-N
-rxn:4:199687:225319,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2-c2cc(F)c(F)c(N3CCOCC3)c2)CC1,KQRMBLTZCNVPCM-UHFFFAOYSA-N
-rxn:4:199689:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N(C)CCO[Si](C)(C)C(C)(C)C)nc3)c2)CC1,CPPVMOTXSYPXDN-UHFFFAOYSA-N
-rxn:4:199691:223671,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HCORRNQYXZDEPB-UHFFFAOYSA-N
-rxn:4:199707:224834,CN(C)S(=O)(=O)n1cc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)c(C(F)(F)F)n1,WMXGJBHJTRKXQE-UHFFFAOYSA-N
-rxn:4:199714:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(Cl)c1,QZLGDKDLPRAKIE-UHFFFAOYSA-N
-rxn:4:199714:224187,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)CC1,HOPQGXVTGZQQQM-UHFFFAOYSA-N
-rxn:4:199744:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)cc1F,PPBMQUGCMNGEAZ-UHFFFAOYSA-N
-rxn:4:199757:227419,CN(Cc1ccc(-c2ccc(C3CCC3)nc2F)cc1N1CCCC1)C(=O)OC(C)(C)C,FZOBKYIOFLJMOF-UHFFFAOYSA-N
-rxn:4:199760:225975,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,MFWAMWOMJKHBKO-UHFFFAOYSA-N
-rxn:4:199764:225154,COC(=O)c1cc(-c2cc(OC)cc(-c3cnn(C)c3)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,AFNCEIWAMHJFHO-UHFFFAOYSA-N
-rxn:4:199771:224279,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)CC1,HOBYXORRKHCPNK-UHFFFAOYSA-N
-rxn:4:199771:224954,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccncc2OCc2ccccc2)CC1,XZBLFHMEMUZTSU-UHFFFAOYSA-N
-rxn:4:199775:222693,N#CC1(CCc2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CCN(S(=O)(=O)c2ccccc2)CC1,CNSCZTQHKUNVLQ-UHFFFAOYSA-N
-rxn:4:199790:222612,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,JJVWKCFBBWDNGU-UHFFFAOYSA-N
-rxn:4:199790:222920,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1C,WTJKWRRRSJCLAX-UHFFFAOYSA-N
-rxn:4:199817:222434,CCCOc1ccc(-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,DDKFKKXVFPOAOV-UHFFFAOYSA-N
-rxn:4:199825:228629,CN(Cc1ccc(-c2ccc(C3CCC3)s2)cc1N1CCCCC1)C(=O)OC(C)(C)C,FJLSGXWRXZKEAD-UHFFFAOYSA-N
-rxn:4:199839:223979,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,PSJOVWRRYGNFEW-HXUWFJFHSA-N
-rxn:4:199846:226645,CCOc1ccc(-c2ccnc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,DTAQFCOVWQEBMV-UHFFFAOYSA-N
-rxn:4:199849:223279,C[C@@H]1CN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JKEBJSOQOFNKNU-UJONTBEJSA-N
-rxn:4:199854:222692,COC1CCN(C2CCN(C(=O)CCc3ccccc3-c3ccc(F)c(C(=O)Nc4ccccn4)c3)CC2)C1,ABAPWHJTASLQHY-UHFFFAOYSA-N
-rxn:4:199865:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1,QCECEDJWDIJQBI-SSEXGKCCSA-N
-rxn:4:199867:225313,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(N3CCN(C)CC3)nc2F)c(C2OCCO2)c1,LHDURBHHUWLEPV-UHFFFAOYSA-N
-rxn:4:199870:222872,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C(=O)NC2CC2)cc1OC,UELBEWXIYGAPDQ-UHFFFAOYSA-N
-rxn:4:199870:223269,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(NC(C)=O)c(F)c1,XKGWQQKOAWLWSR-UHFFFAOYSA-N
-rxn:4:199870:226142,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(OC2CCCC2)c1,QJQDPEQFRMGOMM-UHFFFAOYSA-N
-rxn:4:199888:223894,C#CCn1c(=NC(=O)CSC(C)=O)sc2cc(-c3cccc(OCCCN4CCN(C)CC4)c3)ccc21,VCAULNAHWLHSNB-UHFFFAOYSA-N
-rxn:4:199894:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c23)c1,CQQYKZHSXZNYNE-UHFFFAOYSA-N
-rxn:4:199963:225776,CCCc1cc(-c2ccc(-n3c(SC(C)(C)C(=O)OCC)nc4c(c3=O)SCC4)cc2)cc(C(F)(F)F)c1,HOAGSPWDJVHILT-UHFFFAOYSA-N
-rxn:4:199964:224318,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)ccc21,OCFPNHPFZUDVEU-UHFFFAOYSA-N
-rxn:4:200003:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cccnc2OC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1,JVRYBGIJEREWGO-UHFFFAOYSA-N
-rxn:4:200017:224198,CCN1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCC(Oc4cccc5cccnc45)CC3)c(F)c2)CC1,PSIWQDBFMOKROV-UHFFFAOYSA-N
-rxn:4:200039:223592,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,IMUXTRPZPROGBH-UHFFFAOYSA-N
-rxn:4:200048:225553,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)N(C)C(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,MLYRGPVMMJABAQ-UHFFFAOYSA-N
-rxn:4:200048:225775,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(OC)c1C,GSBGGEYLXNHXKD-UHFFFAOYSA-N
-rxn:4:200048:226308,CCc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1C(=O)OC,RQDJGRLUKVBHIP-UHFFFAOYSA-N
-rxn:4:200048:226835,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(C(F)(F)F)nn4C(C)C)cc3)[n+](C)c3ccccc32)C1,OFWAEJJPWOCUHW-UHFFFAOYSA-N
-rxn:4:200048:226997,CCCOc1cc(C)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,CEIQEYCODWPIJJ-UHFFFAOYSA-N
-rxn:4:200048:227665,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1C(F)(F)F,ABXGQDDKEOUHBV-UHFFFAOYSA-N
-rxn:4:200049:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(-c3nc4ccccn4c3Sc3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)n2C(=O)OC(C)(C)C,OXXULHNAFBJTRV-UHFFFAOYSA-N
-rxn:4:200056:226355,COc1cc(Cl)c(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)cc1C1CC1,YVRMHMCYLKXPCA-UHFFFAOYSA-N
-rxn:4:200064:226607,CC(C)Oc1cc(Cl)cc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)c2)c1F,LFHSLOYKOIATLN-UHFFFAOYSA-N
-rxn:4:200065:223810,Cc1cc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,PUQXIPJFQJVMOA-UHFFFAOYSA-N
-rxn:4:200088:223997,CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,YSJMEIFIOGNYJF-UHFFFAOYSA-N
-rxn:4:200096:224197,CCOC(=O)c1ccc([N+](=O)[O-])c(-c2ccc(CN3CCN(CC)CC3)c(F)c2)c1C#N,IKRZEAZLYUKZTC-UHFFFAOYSA-N
-rxn:4:200105:224017,CCOC(=O)c1c(C#N)cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1[N+](=O)[O-],QTXFRWWOHRNDGM-UHFFFAOYSA-N
-rxn:4:200109:223786,CCOC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc([N+](=O)[O-])c1C#N,GEINXRGAHVXUGL-UHFFFAOYSA-N
-rxn:4:200254:222540,COC(=O)c1cc(C(F)(F)F)nn1Cc1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,XKDZCQZZZMCCMP-UHFFFAOYSA-N
-rxn:4:200260:222674,C[Si](C)(C)CCOc1nnc(C(F)(F)F)cc1-c1cccc(C(=O)NC2CCCCC2)c1F,SYZSPRTZMOKDEV-UHFFFAOYSA-N
-rxn:4:200275:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OCCCN4CCCC4)nc3)ccc2F)CC1,DTZLTGKYJGREDZ-UHFFFAOYSA-N
-rxn:4:200278:224745,CC(C)(C)OC(=O)c1cc(-c2ccc([N+](=O)[O-])c(OCCN3CCCC3)c2)c(F)cc1Cl,FTNFICRPUYJOIG-UHFFFAOYSA-N
-rxn:4:200372:224766,O=C(CCc1ccccc1-c1cc(N2CCCC2)cc(C(F)(F)F)c1)N1CC(N2C(=O)CSC2=O)C1,NMUVHTLAAZHIDB-UHFFFAOYSA-N
-rxn:4:200375:222703,CCOC(=O)c1sc(=NC(=O)c2ccccc2-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)n(C)c1C,DDGQONUUQPKDBE-UHFFFAOYSA-N
-rxn:4:200377:223753,Cc1ccc(-c2cccc(C(=O)N3CCN=C3SCc3ccccc3)c2)cc1OCCCN1CCN(C)CC1,IRCOGCQRJIHASC-UHFFFAOYSA-N
-rxn:4:200385:226844,O=C(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(CC(F)(F)F)CC1,LNNDICMCDIOJPO-UHFFFAOYSA-N
-rxn:4:200385:226889,O=C(Cc1ccc(F)cc1-c1cc(Cl)cc(C(F)(F)F)c1F)N1CCN(CC(F)(F)F)CC1,WGWOMMAVCPKPIO-UHFFFAOYSA-N
-rxn:4:200400:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4F)cc3)c2)C1,APSGTDRUSKWGKR-UHFFFAOYSA-N
-rxn:4:200412:224587,CC1CCN(Cc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4c(F)cccc4F)cc3)cc2F)CC1,GMUZYTKULHQOMX-UHFFFAOYSA-N
-rxn:4:200433:224431,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3c(C)cccc3CN(C(C)C)C(C)C)cc2)CC1,KYPGNTJJWDDICQ-UHFFFAOYSA-N
-rxn:4:200451:222746,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(Cl)cc3)cc2)cc1,IKQNKCPMHZZIME-UHFFFAOYSA-N
-rxn:4:200470:225219,CC1CCCCN1CCOc1ccc([N+](=O)[O-])cc1-c1cnc(N2CCCCC2C)cc1F,FXTVKSSMNZWYAW-UHFFFAOYSA-N
-rxn:4:200480:224756,CCOC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cc(F)ccc1C(=O)N1CCOCC1,LNKMOUXZTFKZPK-UHFFFAOYSA-N
-rxn:4:200480:225341,CCOC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cc(OCC)ccc1OC(F)(F)F,DRWGBGSBPBFBSL-UHFFFAOYSA-N
-rxn:4:200481:225984,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2cnc(Cl)c(N3CCOCC3)c2)C1,NZQXPJIMWUICDT-KRWDZBQOSA-N
-rxn:4:200483:225715,CCN1CCN(Cc2ccc(-c3ccc(F)c(COCCOC)c3)cc2OC(F)(F)F)CC1,CSFWEUUWZRYWKV-UHFFFAOYSA-N
-rxn:4:200513:226034,COc1c(Cl)cc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4cc(C(F)(F)F)ccn4)C3)c2)cc1C(F)(F)F,AGTRVFLUDXILIK-UHFFFAOYSA-N
-rxn:4:200524:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCN=C3SCc3ccccc3C)c3ccccc23)CC1,IKJVPDXFBHESHD-UHFFFAOYSA-N
-rxn:4:200552:223979,CCN(CC)Cc1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1N1CCCC1,GJDYTJNYOMSYCU-UHFFFAOYSA-N
-rxn:4:200568:223136,CCOc1ccc(-c2ccncc2C2CCCNC2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,KZFBMIVWZMMFSM-UHFFFAOYSA-N
-rxn:4:200573:222943,O=C(c1cc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)ccc1Cl)N1CCC(CSC2=NCCS2)CC1,GUSJTHNONCVXSW-UHFFFAOYSA-N
-rxn:4:200597:222581,CC(C)NS(=O)(=O)c1ccc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)n2)c2ccccc12,OKEBWNKPELPPHI-UHFFFAOYSA-N
-rxn:4:200597:225329,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3ccc(OCC(F)(F)F)c(C#N)c3)n2)C1,AYVVFLOBGBAECA-UHFFFAOYSA-N
-rxn:4:200600:223524,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12,LYZLICUAQZIMOE-UHFFFAOYSA-N
-rxn:4:200605:226885,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C(F)(F)F)cc(Cl)c1F,KPUXXPPIGRYKCA-UHFFFAOYSA-N
-rxn:4:200608:222812,COc1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,ZUCCIKBYGWZLHH-UHFFFAOYSA-N
-rxn:4:200620:223922,Cc1cc(OCC2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)o3)CC2)ccn1,RDMISQSSQVSGRE-UHFFFAOYSA-N
-rxn:4:200621:224286,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)o2)CC1,JXOPSVWRNDXTLX-UHFFFAOYSA-N
-rxn:4:200658:225711,COC(COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1)OC,AVYZBGYPKRAECE-UHFFFAOYSA-N
-rxn:4:200666:222633,O=C(NCCN1CCCC1)c1ccc(-c2cccc(C(=O)N(C(=O)N3CCCCC3)c3ccccc3)c2)cc1,NKJWXFRXQSTUGO-UHFFFAOYSA-N
-rxn:4:200701:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2cnc(C3CCCN3)nc2)CC1,KBVJNVMNORCFTC-UHFFFAOYSA-N
-rxn:4:200715:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(C(F)F)nc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,UUAJCDBFXHJPTJ-UHFFFAOYSA-N
-rxn:4:200716:224247,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(C(=O)N3CCC(C)CC3)cc2F)CC1,WJEMUDXGXZVVBV-UHFFFAOYSA-N
-rxn:4:200719:224660,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c(C)cc2C)CC1,FYQVAOCHFQCCAK-UHFFFAOYSA-N
-rxn:4:200719:227001,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc(SCC4CC4)c3)c(C)cc2C)CC1,SSNWLZGVVOUFQC-UHFFFAOYSA-N
-rxn:4:200725:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,XJDXXUMZUUUGTE-UHFFFAOYSA-N
-rxn:4:200725:225155,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(C(F)(F)F)c2)CC1,BSGCGLZBJGTQLF-UHFFFAOYSA-N
-rxn:4:200732:223793,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)ccc3OCc3ccccc3)ccc2C(F)(F)F)CC1,OXFBBXIFQKVAHY-UHFFFAOYSA-N
-rxn:4:200735:227514,CC(C)Oc1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)cc(Cl)n1,XECQTDQHMCGYDV-UHFFFAOYSA-N
-rxn:4:200774:223005,COc1cccc(C2CC(c3ccc(-c4ccc(C5CCNCC5)c(Cl)c4)cc3)=NN2S(C)(=O)=O)c1OC,GCOPXZPWYMTXKI-UHFFFAOYSA-N
-rxn:4:200795:225124,COc1ccc(-c2ccnc(OCC3CCOCC3)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,ULHCFPKNTZZFRV-UHFFFAOYSA-N
-rxn:4:200813:225074,COc1cccc2c(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C(C)C)nn12,SSNWWSFWOBIFPA-UHFFFAOYSA-N
-rxn:4:200821:222967,CC(C)CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,ZTLOBHNDNDVXIV-UHFFFAOYSA-N
-rxn:4:200831:223676,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(OCc4ccccc4)cc(C(F)(F)F)c3F)CC2)cc1C,QOTIOXUIUOOQGW-UHFFFAOYSA-N
-rxn:4:200832:226866,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(Cl)cc(OC(F)(F)F)c1,VGSJSBAXBKXWIX-UHFFFAOYSA-N
-rxn:4:200840:227675,COC(=O)C1CCCN(Cc2ccc(-c3cc(OC)c(C)c(F)c3F)cc2N2CCCC2)C1,CBCMHNCPKRDPSB-UHFFFAOYSA-N
-rxn:4:200840:228410,COC(=O)C1CCCN(Cc2ccc(-c3ccc(OC)c(F)c3Cl)cc2N2CCCC2)C1,KTFDOUNIWIPLBV-UHFFFAOYSA-N
-rxn:4:200844:223964,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc2C2CC2)CC1,AAAXQUZZKJQFOR-UHFFFAOYSA-N
-rxn:4:200862:222854,CCOc1ccc(-c2cc(C3CCCNC3)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,QUWIIBYNNVKNTL-UHFFFAOYSA-N
-rxn:4:200866:223080,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,GNHKCPIBPSJQOK-UHFFFAOYSA-N
-rxn:4:200866:226715,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cnn(C(=O)OC(C)(C)C)c2)c1,VKLXQGNLVBGCQS-UHFFFAOYSA-N
-rxn:4:200879:223961,COc1ccc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,YINOETBABJTPHH-UHFFFAOYSA-N
-rxn:4:200895:223872,CCN(C(=O)c1cccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)c1)C1CCCCC1,XZAUSFMWGFJBCC-UHFFFAOYSA-N
-rxn:4:200903:223156,CCNC(=O)c1ccc(F)c(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)c1,BWCCYLWABVZBNU-UHFFFAOYSA-N
-rxn:4:200903:223504,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2C(C)C)CC1,QXZDNHCWTXLNNR-UHFFFAOYSA-N
-rxn:4:200950:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cn(COCC[Si](C)(C)C)c2nccc(Cl)c12,KUBCTNFWZYBLAV-UHFFFAOYSA-N
-rxn:4:201031:222827,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)ccc21,CMQZTCBILIAHQY-UHFFFAOYSA-N
-rxn:4:201041:223885,CCC1=Nc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2C(c2ccccc2)N1CC(=O)OC,AYIMDDNNHJIHPO-UHFFFAOYSA-N
-rxn:4:201042:222540,CCOC(=O)CN1C(C)=Nc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2C1c1ccccc1,LMNTWFFQIALVRV-UHFFFAOYSA-N
-rxn:4:201057:226477,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(Cl)cnc4OCCCC)cc32)SC1=S,QVOAYVSXVYFVJB-UHFFFAOYSA-N
-rxn:4:201069:227986,COc1c([N+](=O)[O-])cc(-c2ccc(Cl)c(C3CC3)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,QAQNAIMXHOKTBY-UHFFFAOYSA-N
-rxn:4:201072:225947,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCN(C)CC5)nc4)ccc3OC)N2C1=O,WCXSCOQMDHFDCM-UHFFFAOYSA-N
-rxn:4:201074:222540,Cc1ccc(C)c2sc(N(CC3CCCO3)C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)o3)nc12,RIEJCVRAPFECKY-UHFFFAOYSA-N
-rxn:4:201081:226874,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3c(Cl)cccc3OC(F)(F)F)ccc21,NJXFENSXLAOBNN-UHFFFAOYSA-N
-rxn:4:201087:223996,CN1CCN(c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(Oc4ccncc4)C5)cc3)c(C(F)(F)F)c2)CC1,FCHRPRSBTATOQE-UHFFFAOYSA-N
-rxn:4:201123:224451,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)ccc21,QIASKYDSNWSNSK-UHFFFAOYSA-N
-rxn:4:201127:224854,CCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3c(C)cc(-c4ccccc4)cc3C)ccc21,KEKQSPDBZXLIKW-UHFFFAOYSA-N
-rxn:4:201157:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(=O)CSc4nc5sc6c(c5c(=O)n4CC)CCCC6)cc3)c2)CC1,VDGFKCLRTQTXRQ-UHFFFAOYSA-N
-rxn:4:201157:224718,CCn1c(SCC(=O)c2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)nc2sc3c(c2c1=O)CCCC3,UAZAKSDGVFSVPN-UHFFFAOYSA-N
-rxn:4:201158:224492,COc1cc2nc3n(c(=O)c2cc1OC)C(CS(=O)(=O)c1ccc(-c2ccc(CCC(=O)N4CCCC4)cc2)cc1)CS3,OUSCHYIGZCOVCB-UHFFFAOYSA-N
-rxn:4:201171:223074,O=C(N1CCN=C1SCc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,GCTVEWAQNMHHKH-UHFFFAOYSA-N
-rxn:4:201171:223207,CCc1n[nH]c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc12,NRTTYUZBEYKXFY-UHFFFAOYSA-N
-rxn:4:201171:224571,CC(C)N1CCN(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,HJPXTEUSQILLCQ-UHFFFAOYSA-N
-rxn:4:201171:224727,COC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(OC(C)(C)C)n1,PTJYSLVNHLIQQI-UHFFFAOYSA-N
-rxn:4:201171:224865,O=C(N1CCN=C1SCc1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,ILOARKZDSIRTBU-UHFFFAOYSA-N
-rxn:4:201171:226660,O=C(N1CCN=C1SCc1ccc(-c2cnn(-c3ccccc3F)c2)cc1)C12CC3CC(CC(C3)C1)C2,UREMRJKTKRVUES-UHFFFAOYSA-N
-rxn:4:201171:227933,CCc1ccc(OC)cc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,FOESIVMDVYAYMG-UHFFFAOYSA-N
-rxn:4:201171:228370,Cc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c([N+](=O)[O-])c1,MTXWLPRLCNQMJS-UHFFFAOYSA-N
-rxn:4:201171:228568,CN(C)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,WWJHOIDJWRVZPU-UHFFFAOYSA-N
-rxn:4:201171:229170,Cc1nc(Cl)ncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,CDHMEYSJFGHZMU-UHFFFAOYSA-N
-rxn:4:201183:226259,CCCCOc1ccc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)cc1Cl,WAZXVSUQNYLHPZ-UHFFFAOYSA-N
-rxn:4:201192:224156,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,SUHPJKRLFJWRMS-UHFFFAOYSA-N
-rxn:4:201207:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3cnc(OCC(F)(F)C(F)(F)F)cn3)cc2C1,GUOVPXXAFNYVGD-UHFFFAOYSA-N
-rxn:4:201224:223712,COC(=O)c1nn(CC(F)F)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,HKIOJDHTSSWPPL-UHFFFAOYSA-N
-rxn:4:201683:222619,CC(C)c1nc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cn1C(=O)OC(C)(C)C,LJFVCJWSKLVEGQ-UHFFFAOYSA-N
-rxn:4:201683:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C(=O)OC(C)(C)C)c(C(C)C)n2)c1,IHRIRGCNINRJJL-UHFFFAOYSA-N
-rxn:4:201689:223712,COC(=O)CC1CN(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CCO1,LMNIRXYRLOFGBO-UHFFFAOYSA-N
-rxn:4:201704:224323,Cc1cc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)cc(C)c1S(=O)(=O)N1CCCC1,AJHCPAXRGASDKB-UHFFFAOYSA-N
-rxn:4:201704:224959,O=C(c1ccc(-c2ccc(OCC3CCCCO3)cc2)o1)N1CC(CN2C(=O)CCC2=O)C1,LWDMJQHCTAMLAP-UHFFFAOYSA-N
-rxn:4:201746:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccnc3OC3CCN(S(=O)(=O)C4CC4)C3)cc2Cl)CC1,NLHCGBJULPPFGY-UHFFFAOYSA-N
-rxn:4:201767:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2nccs2)C1,YOMZDMCFFFSNKZ-UHFFFAOYSA-N
-rxn:4:201795:222522,COc1ccc(-c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)CC1,NJRYEEXXQQZNAI-UHFFFAOYSA-N
-rxn:4:201798:222424,Cc1cc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,ZVFPGLHDKUVWEG-UHFFFAOYSA-N
-rxn:4:201856:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(CN2C(=O)CCC2=O)C1,PXBKAIYRPVQOGW-UHFFFAOYSA-N
-rxn:4:201861:227576,CCOc1c(Cl)cc(F)cc1-c1cc([N+](=O)[O-])c(OC)cc1N1CCCC(C(F)(F)F)C1,CLKZWFDLLYQOFF-UHFFFAOYSA-N
-rxn:4:201969:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(OC)cc3C(=O)N3CCC(N4C(=O)CSC4=O)C3)cnc12,OBLHCCHFZNNZCH-UHFFFAOYSA-N
-rxn:4:202006:223008,CCOc1cc(-c2cc(C3CCNCC3)ccc2F)ccc1S(=O)(=O)N1CCN(C)CC1,QLOQLTJEPHXKQR-UHFFFAOYSA-N
-rxn:4:202008:223951,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OCCN2CCN(C)CC2)c(F)c1,GYROGJZMXDBISX-UHFFFAOYSA-N
-rxn:4:202021:225979,CC(C)(C)OC(=O)N1CCOCC1c1cncc(-c2cnc(N3CCOCC3)c(Cl)c2)c1,GFVFMPORSQNIME-UHFFFAOYSA-N
-rxn:4:202068:226298,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1ccc(F)cc1OCC1CC1,SYBKUZOGXNYAGR-UHFFFAOYSA-N
-rxn:4:202069:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,SBDMCDBDFDCJRS-UHFFFAOYSA-N
-rxn:4:202089:225047,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cnc1N1CCC(C)CC1,QRPNOTWCOHHTDC-UHFFFAOYSA-N
-rxn:4:202094:225124,CC(C)N1CCN(CCc2ccc(F)c(-c3ccnc(OCC4CCOCC4)c3)c2)CC1,COUHZRMRYICFOZ-UHFFFAOYSA-N
-rxn:4:202096:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,GCGBAFPUSFBADH-UHFFFAOYSA-N
-rxn:4:202113:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VSDGSCGCBMVCGP-UHFFFAOYSA-N
-rxn:4:202117:225768,COc1cc(-c2cnccc2OC2CCN(CC3CCCCO3)C2)cc(Cl)c1OC(C)C,KOOHFXOOZPMFQX-UHFFFAOYSA-N
-rxn:4:202143:224797,CCCCOc1c(F)c(F)c(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(OC)cc2C)c(F)c1F,FYBCWPXYZRMWAA-UHFFFAOYSA-N
-rxn:4:202151:222923,Cc1ccc(-c2ccc(C3=NN(C(=O)C4CCCO4)C(c4ccco4)C3)cc2)cc1S(=O)(=O)NC1CC1,BXSJFLIESHLQOK-UHFFFAOYSA-N
-rxn:4:202156:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)c1,FGODWNKLUCNTHE-UHFFFAOYSA-N
-rxn:4:202169:226473,CN(C)CCOc1ncccc1-c1cccc(CN2CCOC(C(=O)N3CCCC3)C2)c1,LPNQQGILWCEKPR-UHFFFAOYSA-N
-rxn:4:202175:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc1,VTMLNDDCWWJJHK-UHFFFAOYSA-N
-rxn:4:202200:224786,O=C(C1CN(Cc2ccc(-c3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)CCO1)N1CCOCC1,URKYPEDVRMFQIQ-UHFFFAOYSA-N
-rxn:4:202225:223072,CCCNS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,GYMTTZQSRPYDET-UHFFFAOYSA-N
-rxn:4:202231:226327,Cc1cc(-c2ccc(C3(C#N)CC3)cc2Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,YOWYQUUZBPKJFZ-UHFFFAOYSA-N
-rxn:4:202265:223895,CCN1CCN(CCOc2ccc(-c3cnc(Oc4ccc(C(C)(C)C)cc4C(C)(C)C)nc3)cc2)CC1,RIFBJKYJMGBRLJ-UHFFFAOYSA-N
-rxn:4:202267:222808,CC(C)NC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCCCC4)C3)c2)cc([N+](=O)[O-])c1,GPTVIXOVGNBOFI-UHFFFAOYSA-N
-rxn:4:202275:226235,CCCCOc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)c(C)n1,GOODVUQGGFYTAF-UHFFFAOYSA-N
-rxn:4:202284:225053,COc1ccc(-c2ccc(N3CCCCC3C)cc2F)cc1CN1CCC(N2CCCC2)CC1,RTAMGYUACWIRLY-UHFFFAOYSA-N
-rxn:4:202289:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,XKWJQBISLMYRLY-UHFFFAOYSA-N
-rxn:4:202290:222923,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)NC5CC5)c4)cc3)CC2)C1,RDEFJIAEFKUJDI-UHFFFAOYSA-N
-rxn:4:202310:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)cc2)CC1,BIDCXCIYMXAOOA-UHFFFAOYSA-N
-rxn:4:202327:227710,CN(Cc1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1N1CCOCC1)C1CCCCC1,JGJRFPYWTKLCJM-UHFFFAOYSA-N
-rxn:4:202328:223077,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1,BQLSVASXYSBATB-UHFFFAOYSA-N
-rxn:4:202328:227507,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C=C[N+](=O)[O-])c3)CC2)CC1,QBUVRFSHOZASRY-UHFFFAOYSA-N
-rxn:4:202331:223032,CCCNC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)c(F)c1,MSAVOBOHZONGBW-UHFFFAOYSA-N
-rxn:4:202334:225775,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)c(OC)c2)cc(OC)c1C,ITWSYQWHVKASFT-UHFFFAOYSA-N
-rxn:4:202356:222390,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(NC(=O)Nc2cccc(F)c2)c1,JQZAIVAPCGJNLN-UHFFFAOYSA-N
-rxn:4:202356:222402,CCCNC(=O)Nc1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1,UFUSAHOXBFMTOJ-UHFFFAOYSA-N
-rxn:4:202356:222470,COc1ccc(CNC(=O)c2cccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)c2)cc1,OUEUYQYZMNQPSL-UHFFFAOYSA-N
-rxn:4:202356:222475,Cc1ccc(CNC(=O)c2cc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)ccc2F)cc1,OOOKHJLKRKSXIH-UHFFFAOYSA-N
-rxn:4:202356:222543,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,DCECCTLOTXLXPO-UHFFFAOYSA-N
-rxn:4:202356:222576,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(C(=O)Nc2cccc(Cl)c2C)c1,JQPABUNPXIVZLE-UHFFFAOYSA-N
-rxn:4:202356:222579,Cc1ccccc1NC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1Cl,DBHOKTAREQQRFK-UHFFFAOYSA-N
-rxn:4:202356:222861,CCCCNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1F,MKRKUMPEICYDQS-UHFFFAOYSA-N
-rxn:4:202356:222870,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cc(F)cc(C(=O)NCC(C)C)c1,AMYITBJAMDGDPD-UHFFFAOYSA-N
-rxn:4:202356:222961,CCCCNC(=O)c1cccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c1,DHWDSYARDAYSLI-UHFFFAOYSA-N
-rxn:4:202356:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,OVIOGVMWEWXTCS-UHFFFAOYSA-N
-rxn:4:202356:223032,CCCNC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c(F)c1,MYJMJSNKJCBVKP-UHFFFAOYSA-N
-rxn:4:202356:223033,CCCNC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c(Cl)c1,BFFOKUKPGOQNAG-UHFFFAOYSA-N
-rxn:4:202356:223154,CCNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1F,SRMXAXMIXJLAPX-UHFFFAOYSA-N
-rxn:4:202356:223178,CONC(=O)c1ccc(F)c(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c1,JWLROEJSULMPGD-UHFFFAOYSA-N
-rxn:4:202356:223180,CONC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1F,JPNOTCLWUUIDFV-UHFFFAOYSA-N
-rxn:4:202356:223264,CNC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1F,PSXNCYYUQUPNHX-UHFFFAOYSA-N
-rxn:4:202356:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)cc2)cc1,AIASVSVARCLFGY-UHFFFAOYSA-N
-rxn:4:202356:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)cc2)cc1,CMSRBHQANAZTAD-UHFFFAOYSA-N
-rxn:4:202356:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1,DFCIQKQVLLDYCT-UHFFFAOYSA-N
-rxn:4:202356:223861,CCCCOc1ccc(-c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)cc2)cc1,UILUYKZOAYDLKJ-UHFFFAOYSA-N
-rxn:4:202356:224412,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,QAYZXOFZSCICRN-UHFFFAOYSA-N
-rxn:4:202356:224459,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(N2CCCC2)c(C(C)(C)C)c1,AXMOWMYGTHZERZ-UHFFFAOYSA-N
-rxn:4:202356:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)cc2)CC1,LEMDSZGRVZSIIX-WXUXXXNLSA-N
-rxn:4:202356:225106,CCN(CC)C(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1Cl,JCEHTKDQWOBOEN-UHFFFAOYSA-N
-rxn:4:202356:225550,CCCCC(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1F,SLZJARRKTXSTTK-UHFFFAOYSA-N
-rxn:4:202356:226270,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cccc(C=C(C#N)C#N)c1,ZNYKKEKCHSOLGS-UHFFFAOYSA-N
-rxn:4:202356:226514,CCc1cnc(C(=O)OC)cc1-c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,GSFHWGPECTWBPC-UHFFFAOYSA-N
-rxn:4:202356:226567,COC(=O)C(=O)c1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc1,WTODDLVELWTJBN-UHFFFAOYSA-N
-rxn:4:202356:226720,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c(OC)cn1,MIIFXFQJMIFPTA-UHFFFAOYSA-N
-rxn:4:202356:226917,Cc1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc(C(C)(C)C)c1,BWIDZCNWBXHLON-UHFFFAOYSA-N
-rxn:4:202356:227271,CCOc1cc(OC)cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c1,HDWPBOVDXGAIQQ-UHFFFAOYSA-N
-rxn:4:202356:227508,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc(C)n1,OGIFNHZBPZJFPK-UHFFFAOYSA-N
-rxn:4:202356:227557,COc1ccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c(OC)c1Cl,MZNNIQHTEJDCOH-UHFFFAOYSA-N
-rxn:4:202356:227694,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc(Cl)n1,BALSGXHLSJARDX-UHFFFAOYSA-N
-rxn:4:202452:222546,C#CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)ccc21,SYGVNNKZENMOHB-UHFFFAOYSA-N
-rxn:4:202518:223092,CC(C)[C@H]1c2nc(-c3cccc(NS(=O)(=O)N(C)C)c3)sc2CN1C(=O)OC(C)(C)C,BDGCDHCKWXNCFJ-SFHVURJKSA-N
-rxn:4:202556:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4C(=O)CC(Sc5nc6cc(OC)ccc6s5)C4=O)cc3)cc2)CC1,DWRKQACOXNQIMY-UHFFFAOYSA-N
-rxn:4:202599:222858,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4cccc(C(=O)NCCN(C)C)c4)c3)N2C1=O,XEELCCYDGLBHLO-UHFFFAOYSA-N
-rxn:4:202602:222584,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)N2C1=O,OMUAGGVZQUYREL-UHFFFAOYSA-N
-rxn:4:202655:224486,CC(C)N(C(=O)c1cccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1)C(C)C,IOXPDPDTDVOWHG-UHFFFAOYSA-N
-rxn:4:202707:226911,CCc1cc(C)cc(CC)c1-c1ccc(CN2C(=O)N(c3cccc(SC)c3)C3CS(=O)(=O)CC32)c(F)c1,HIRZFMZDQXJRCV-UHFFFAOYSA-N
-rxn:4:202720:222540,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)c2c1,XMZHKWXDPSOQGK-UHFFFAOYSA-N
-rxn:4:202720:223970,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3)c2c1,CEBKNAJQKKFQBC-UHFFFAOYSA-N
-rxn:4:202731:224771,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)cc1S(=O)(=O)N1CCCC1,MSTVVDLEKVIYIH-UHFFFAOYSA-N
-rxn:4:202738:224810,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)cc3F)c3ccccc3S2(=O)=O)cc1,YGILKLLUMGZXLZ-UHFFFAOYSA-N
-rxn:4:202759:223521,CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2ccccc21,YRJOWXJGAICWKP-UHFFFAOYSA-N
-rxn:4:202782:224378,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)ccc2OC3c2ccco2)cc1,RQVOXTSQKSDWID-UHFFFAOYSA-N
-rxn:4:202807:224877,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(COC3CCCCC3)cc2)cc1,SIVTWVCHFRGXDE-UHFFFAOYSA-N
-rxn:4:202807:225296,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,AUHDVUFLRNGNEZ-UHFFFAOYSA-N
-rxn:4:202895:223492,Cc1cc(-c2cc(F)c([N+](=O)[O-])c(CC#N)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KQRVVHPJZYDQDJ-UHFFFAOYSA-N
-rxn:4:203244:224757,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)nc1F,XJAHMIVORCKOCU-UHFFFAOYSA-N
-rxn:4:203362:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccnc(N(C)CC4CC4)c3)ccc2OC(F)(F)F)CC1,OXBQMRGPYTUHDX-UHFFFAOYSA-N
-rxn:4:203368:223753,Cc1ccc(-c2ccc(C=CN(C)C)c([N+](=O)[O-])c2)cc1OCCCN1CCN(C)CC1,NATGGTLIHKRPKQ-UHFFFAOYSA-N
-rxn:4:203560:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc([N+](=O)[O-])cc1CN1CCCC1,KBSQLXNSJWHXIV-UHFFFAOYSA-N
-rxn:4:203696:225172,O=C(c1ccccc1-c1cc(CN2CCOCC2)ccc1F)N1CC(N2C(=O)CSC2=O)C1,NNQRGYHDOAPGRU-UHFFFAOYSA-N
-rxn:4:203703:222769,O=C(NC1CCCC1)c1ccc(-c2cnc(C(=O)N3CCC(C(F)(F)F)CC3)c(Cl)c2)cc1F,DXHGSLZDUZLHNP-UHFFFAOYSA-N
-rxn:4:203714:222466,Cn1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(OCC2CCCCC2)n1,MPWMXMMMLWNEAY-UHFFFAOYSA-N
-rxn:4:203780:222437,CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)ccc2F)CC1,LSGIBDJFAYXHGS-UHFFFAOYSA-N
-rxn:4:203815:223712,CCN1CCN(C(=O)c2ccc(Cl)cc2-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)CC1,QSCKJTHSHTVNRZ-UHFFFAOYSA-N
-rxn:4:203824:224738,CCN1CCN(C(=O)c2ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)c(F)c2)CC1,BHNVVNSFBSGEMH-UHFFFAOYSA-N
-rxn:4:203835:222585,CS(=O)(=O)N1N=C(c2ccc(-c3ccccc3C(=O)NCCN3CCOCC3)cc2)CC1c1ccco1,ZISZMQXTJTYWPC-UHFFFAOYSA-N
-rxn:4:203880:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,LKBFLXOBRVECCE-UHFFFAOYSA-N
-rxn:4:203895:222442,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)CC1,AYXMULRWABNJAJ-UHFFFAOYSA-N
-rxn:4:204012:225111,COc1ccc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)c(F)c1OCC(C)C,BAAVCFTYGXEVTD-UHFFFAOYSA-N
-rxn:4:204013:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N(C)C)CC2)cc1S(=O)(=O)NC1CCCCC1,NOOFYCLQGKCTRY-UHFFFAOYSA-N
-rxn:4:204021:224248,CC1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)cc2Cl)CC1,MCUASVANYYVNHR-UHFFFAOYSA-N
-rxn:4:204026:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCN(C)CC1,OSHVHWDTXMHAHE-UHFFFAOYSA-N
-rxn:4:204026:224867,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(OCC3CCCCC3)cc2)CC1,NDBSETZGMWGNQO-UHFFFAOYSA-N
-rxn:4:204028:225805,CC(c1ccc(-c2cccc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)c2)s1)N1CCOCC1,UZPYCXVMAHVVRH-OYKVQYDMSA-N
-rxn:4:204030:223606,CC(C)S(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,YAIMUPLNSBNANU-UHFFFAOYSA-N
-rxn:4:204046:226986,CCCCSc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,FPRKNGMJLZAULC-UHFFFAOYSA-N
-rxn:4:204049:223895,CCN1CCN(CCOc2ccc(-c3cc(C=C4C(=O)N(c5ccccc5)N=C4C)ccc3OC)cc2)CC1,LOFDEIONWNLHEF-UHFFFAOYSA-N
-rxn:4:204057:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)cc2F)CC1,YRPPYPSSPFVBQL-UHFFFAOYSA-N
-rxn:4:204068:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1,ACBATDHXFBOYDS-UHFFFAOYSA-N
-rxn:4:204088:225737,CCCCOc1c(F)ccc(-c2ccccc2-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)c1F,QEINKRDMIIHDQW-UHFFFAOYSA-N
-rxn:4:204115:223072,CCCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,ZABSZNBUZLWIFJ-UHFFFAOYSA-N
-rxn:4:204125:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)c(Cl)c5)CC4)cc3)cc2)CC1,JMPLLMJUYMYTAY-UHFFFAOYSA-N
-rxn:4:204131:224791,CC(C)OC(=O)c1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c([N+](=O)[O-])c1,KVZFGLLIJWGPAG-UHFFFAOYSA-N
-rxn:4:204140:222398,Cc1cc(-c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)ccc1NC(=O)NC1CC1,HOTMDMKTIPCUPP-UHFFFAOYSA-N
-rxn:4:204149:222748,CC1CCN(Cc2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc2N2CCCC2)CC1,OMNCEEXSBFYBBL-UHFFFAOYSA-N
-rxn:4:204164:222403,CC(C)NC(=S)Nc1cccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)c1,ROBIPFLBBLHSPA-UHFFFAOYSA-N
-rxn:4:204171:226479,CCCCOc1nccc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)c1Cl,WMXJYVSJPHYJBC-UHFFFAOYSA-N
-rxn:4:204233:223540,CCOC(=O)c1ccc2[nH]cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)c2n1,AETVBRZCYOHHFP-UHFFFAOYSA-N
-rxn:4:204403:223597,COCn1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12CCCC1O2,MRJQHXURHSKVNY-UHFFFAOYSA-N
-rxn:4:204466:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)C(=O)N4CCN(C)C)c2)CC1,SHFUCJNMAUBORH-UHFFFAOYSA-N
-rxn:4:204513:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2c(c1)CCN2C(=O)OC(C)(C)C,LXOCLZPWPXBHFG-UHFFFAOYSA-N
-rxn:4:204596:222818,COC(=O)c1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c(F)cc1NC(C)=O,PQGCWUJMZMRTMR-UHFFFAOYSA-N
-rxn:4:204682:222467,Cc1cc2c(c(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)n1)CN(C(=O)OC(C)(C)C)CC2,VFFIVNLVJOTGLM-UHFFFAOYSA-N
-rxn:4:204695:227519,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C(=O)OC)cc2C)c1,CYKDEWQUMGDIEB-UHFFFAOYSA-N
-rxn:4:204714:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)CN(CCc1ccncc1)C(=O)C(C)O2,HPOPZHWWJGWYFU-UHFFFAOYSA-N
-rxn:4:204747:224350,O=C1C2CN(Cc3cccc(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)c3)CC2C(=O)N1c1ccccc1,KKRXIDYURXGTHC-UHFFFAOYSA-N
-rxn:4:204790:224763,COc1ccc(N2C(=O)N(c3ccc(-c4cc(Cl)ccc4C(=O)N4CCOCC4)cc3)C3CS(=O)(=O)CC32)cc1,YNQCDJJKGHFTRE-UHFFFAOYSA-N
-rxn:4:204799:225882,O=C(C1=CN(c2ccc(-c3cnc(Cl)c(C4CCOCC4)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,XECIRXJWXWXYHD-UHFFFAOYSA-N
-rxn:4:204845:227596,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4cnc(N5CCCC5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,ZNHHYSLTXPQKBP-UHFFFAOYSA-N
-rxn:4:204866:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C=C(C(=O)N5CCC(C)CC5)S(=O)(=O)c5ccccc54)cc3)cc2F)CC1,ZIUCGOUSNRPMBK-UHFFFAOYSA-N
-rxn:4:204913:223885,Cn1c2c(c3cc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccc31)CN(C(=O)OC(C)(C)C)CC2,BMQSZAOCOGECIF-UHFFFAOYSA-N
-rxn:4:204914:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c4c([nH]c3c2)CCCN(C(=O)OC(C)(C)C)C4)cc1,XPOBSDWJZDPVIE-UHFFFAOYSA-N
-rxn:4:205367:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)c(F)cc2C)CC1,KFNOLKVDUGUEAT-UHFFFAOYSA-N
-rxn:4:205687:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cnn(C3(C(F)(F)F)CCC3)c2)c(C(F)(F)F)c1,FKPPJFWAJKRVGL-UHFFFAOYSA-N
-rxn:4:205699:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)cnc3N(C)C)ccc2OC)CC1,PJSCGSDZZUMBDA-UHFFFAOYSA-N
-rxn:4:205736:223753,Cc1ccc(-c2cnccc2CN2C(=O)C=CC2=O)cc1OCCCN1CCN(C)CC1,FRKUOYCDKWNOML-UHFFFAOYSA-N
-rxn:4:205897:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2nc(C(=O)N3CCOCC3)cs2)CC1,LZUBXPBYOSZLRY-UHFFFAOYSA-N
-rxn:4:206471:223641,CCc1cc2c(cc1F)cc(-c1cnc(N3CCC(F)(F)C3)c(C(F)(F)F)c1)n2C(=O)OC(C)(C)C,SRUMLTZNNCNLGO-UHFFFAOYSA-N
-rxn:4:206508:223581,COC(=O)c1cccc2cc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n(C(=O)OC(C)(C)C)c12,IZUJZFQPPVOKEL-UHFFFAOYSA-N
-rxn:4:206594:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(CN3CCN(C)C3=O)c2)CC1,SPNUXBLGOACOCT-UHFFFAOYSA-N
-rxn:4:206641:223814,N#Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1N1CCCC(F)(F)C1,OCABSTFFVQGCGX-UHFFFAOYSA-N
-rxn:4:206716:223602,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,SBYVTQJVTFOQCY-UHFFFAOYSA-N
-rxn:4:206797:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)ccn2)CC1,HHCBISWBGZHLRG-UHFFFAOYSA-N
-rxn:4:206797:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)cn2)CC1,AQLOBFUSLGIJTM-UHFFFAOYSA-N
-rxn:4:206797:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,BMWSOJHPSKRUQF-UHFFFAOYSA-N
-rxn:4:206855:223895,CCN1CCN(CCOc2ccc(-c3ccc(N4CCCCC4C)c(C#N)c3)cc2)CC1,QNBOBHLYWOCZMQ-UHFFFAOYSA-N
-rxn:4:206866:223712,COc1ccc(-c2cnc(C(=O)N3CCCC(C)C3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,IPVJVECAEBJTEQ-UHFFFAOYSA-N
-rxn:4:206873:224770,Cc1cc(-c2cc(F)c(Cl)cc2C(=O)N2CCN(C)CC2)cc(S(=O)(=O)N2CCCC2)c1,AELLVXGBVXHDDP-UHFFFAOYSA-N
-rxn:4:206945:224329,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,WHCPQFBDEOQYKO-UHFFFAOYSA-N
-rxn:4:206946:222716,CS(=O)(=O)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)C1,HWUWORJTTFPBNR-UHFFFAOYSA-N
-rxn:4:206948:223993,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,HWSAJPQEDMQIGH-UHFFFAOYSA-N
-rxn:4:206959:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)c2)C1,ZMAKTTOYEAAGHB-UHFFFAOYSA-N
-rxn:4:206961:222604,COc1ccc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)NC1CCCC1,JSZCPMTYXFUHGD-UHFFFAOYSA-N
-rxn:4:206961:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,XAVGPYRUSQNILD-UHFFFAOYSA-N
-rxn:4:207015:222696,Cc1cc(-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)ccc1C(=O)N1CCN(C)CC1,FOUBPPVZLCCVAR-UHFFFAOYSA-N
-rxn:4:207081:223028,CCCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,QCVZWQLZTMTRCN-UHFFFAOYSA-N
-rxn:4:207081:224718,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCN4CCOCC4)nc3)c1)C2,ZEPRRTJGUYURNW-UHFFFAOYSA-N
-rxn:4:207081:225384,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c1)C2,UFUKOUNIOHLSRF-UHFFFAOYSA-N
-rxn:4:207081:225975,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccnc(N4CCOCC4)c3Cl)c1)C2,LZKDKLYXSSMOAJ-UHFFFAOYSA-N
-rxn:4:207731:222538,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,UQUOGNJTYHASPS-UHFFFAOYSA-N
-rxn:4:207779:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,OWVIXPPNIIOOHD-UHFFFAOYSA-N
-rxn:4:207796:222806,CCCNC(=O)c1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCN(C)CC4)cc3c2)cc([N+](=O)[O-])c1,FZJBANWLRHWXEK-UHFFFAOYSA-N
-rxn:4:207848:224407,Cc1cccc(N2C(=O)N(c3cccc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)c3)C3CS(=O)(=O)CC32)c1,AIYRBAMYJVISJT-UHFFFAOYSA-N
-rxn:4:207854:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc5c(c4)CCN5C4CCN(C5CCC5)CC4)c3)cccc12,CUUYJYPNLWMRED-UHFFFAOYSA-N
-rxn:4:207857:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)o1,QIUVQFJBKYTYKT-UHFFFAOYSA-N
-rxn:4:207857:226536,COc1ccc(OC)c(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)c1OC,HNMVGSUMYRHVTL-UHFFFAOYSA-N
-rxn:4:207965:226247,CCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c(OCC)c1,JPXUHFVDXCJKPQ-UHFFFAOYSA-N
-rxn:4:209881:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N4CC(C)OC(C)C4)nc3)cc2C)CC1,KQPOGZKWZNETIP-UHFFFAOYSA-N
-rxn:4:210499:223490,COc1ccn2c(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C)nc2c1,JNNUFKFWQYWNNV-UHFFFAOYSA-N
-rxn:4:210785:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2,GALAUEJPHDQSOO-UHFFFAOYSA-N
-rxn:4:212538:222935,CCN(Cc1nn(C)cc1-c1ccc(CNS(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C,VSIGACPMANHQGN-UHFFFAOYSA-N
-rxn:4:212541:224157,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)n2)C1,XSNSWCLWZKBHIG-UHFFFAOYSA-N
-rxn:4:212568:222522,COc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1S(=O)(=O)N1CCC(O)CC1,UBEBTAWHIRVZOE-UHFFFAOYSA-N
-rxn:4:212568:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,NKSVJYZWNWKCMC-UHFFFAOYSA-N
-rxn:4:212568:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,ZFIIBMWREDOJHX-UHFFFAOYSA-N
-rxn:4:212568:223741,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(CN3CCCc4ccccc43)ccc2F)cc1,SFDKVQUYDHYZPJ-UHFFFAOYSA-N
-rxn:4:212568:223925,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c(OCc2ccccc2)c1F,WRLIHLTUXABKOJ-UHFFFAOYSA-N
-rxn:4:212568:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)ccc2F)CC1,XNWYYIYVYSWWGF-UHFFFAOYSA-N
-rxn:4:212568:224265,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)cc1,NQILGLMDASYOIQ-UHFFFAOYSA-N
-rxn:4:212568:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1)C(C)C,QQEULAWXTUPLQB-UHFFFAOYSA-N
-rxn:4:212568:225217,CC1CCCN(c2cc(F)c(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)cn2)C1,BSICJMAHLGYZNI-UHFFFAOYSA-N
-rxn:4:212568:225436,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CLRFAIXQQYVORO-UHFFFAOYSA-N
-rxn:4:212568:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,VPPLOTUVAHJPFS-UHFFFAOYSA-N
-rxn:4:212568:225764,CCCOc1c(F)c(C)cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,DIAWIVBBVHBRMC-UHFFFAOYSA-N
-rxn:4:212568:225915,CCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(F)(F)F,AZURLRSAXOESDP-UHFFFAOYSA-N
-rxn:4:212568:226347,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(OC(C)C)cc1F,WNBDXVFKDCUDRB-UHFFFAOYSA-N
-rxn:4:212568:226838,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C#N)c(C(F)(F)F)c2)cc1,AUOYUQGJSWVCPU-UHFFFAOYSA-N
-rxn:4:212568:226857,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1,BROHQVLRBCZUTD-UHFFFAOYSA-N
-rxn:4:212569:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnn(CC4CN(C(=O)CSC5CCCC5)C4)c3)c2)CC1,MNYZTTXTQRJARM-UHFFFAOYSA-N
-rxn:4:212580:224064,CC1CCCCN1c1cc(-c2cnn(CC3CN(S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)C3)c2)cc(C2CC2)c1,NJMNIUFBDVVRFI-UHFFFAOYSA-N
-rxn:4:212584:223079,CC(C)NS(=O)(=O)c1cccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)c1,OPLLMRJIFXFGGM-UHFFFAOYSA-N
-rxn:4:212607:222976,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)cn2)CC1,JGDLFPNHXBLKFE-UHFFFAOYSA-N
-rxn:4:212608:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C(C)(C)OC(C)=O)C3)nc2)cc1,HMRXLOXTGUHQAE-UHFFFAOYSA-N
-rxn:4:212620:224398,Cc1cc(F)c(-c2cc(F)ccc2CC(=O)N2CCC(COc3ncccn3)CC2)cc1S(=O)(=O)N1CCCC1,HBQSQGGCHCYJRX-UHFFFAOYSA-N
-rxn:4:212635:226477,CCCCOc1ncc(Cl)cc1-c1cnn(C)c1CN(C(=O)OC(C)(C)C)C1CCCC1,OCBMWMJVHRFONL-UHFFFAOYSA-N
-rxn:4:212650:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c2)CC1,RRJKSUFNESAQIZ-UHFFFAOYSA-N
-rxn:4:212650:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1F,POXFDBICXGRRAF-UHFFFAOYSA-N
-rxn:4:212656:222812,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c1,GRKFREQZTGUVEA-UHFFFAOYSA-N
-rxn:4:212656:226844,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LXCXTVGXHVVPQG-UHFFFAOYSA-N
-rxn:4:212665:222432,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,UYEXHENOSVLKHA-UHFFFAOYSA-N
-rxn:4:212665:222819,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)C1,CGRWGHCGRUYYHC-UHFFFAOYSA-N
-rxn:4:212668:223694,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cn2)CC1,AWFTYYYHNSOMJD-UHFFFAOYSA-N
-rxn:4:212669:225305,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3cnc(C4CCC4)c(C(F)(F)F)c3)CC2)nc1,FOOJSPUWPMKNAS-UHFFFAOYSA-N
-rxn:4:212680:225875,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(N4CCOCC4)cc3Cl)CC2)nn1,NRHKTGQZGCZANL-UHFFFAOYSA-N
-rxn:4:212692:223289,CNS(=O)(=O)c1ccccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,KQMUGZBFTVPYJS-UHFFFAOYSA-N
-rxn:4:212695:225190,COc1cc(N2CCOCC2)ccc1-c1ccccc1CCC(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,YLRKLEOPDKRWOZ-UHFFFAOYSA-N
-rxn:4:212738:223120,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NC4CC4)c3)cc2N2CCOCC2)CC1,FGMILFHWMPYXRT-UHFFFAOYSA-N
-rxn:4:212744:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,FREMLCALURUXSF-UHFFFAOYSA-N
-rxn:4:212747:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,NYJYWFQRWVIWSL-UHFFFAOYSA-N
-rxn:4:212786:222540,COCCn1c(=NC(=O)c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)sc2cc(S(N)(=O)=O)ccc21,RWFSFZFXLMLHAC-UHFFFAOYSA-N
-rxn:4:212904:223787,Cc1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cnc1C(=O)N(C)CCN(C)C,LWICKNBPKMUPMU-UHFFFAOYSA-N
-rxn:4:212944:223179,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,OOXJHGIJXJNFBA-UHFFFAOYSA-N
-rxn:4:212944:223255,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cccc(C(=O)NOC)c2)CC1,RKTWZXLVNCSZJY-UHFFFAOYSA-N
-rxn:4:212944:227804,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])CC1,GSLSSWAVEXKUQC-UHFFFAOYSA-N
-rxn:4:212949:224830,N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)nn4C4CCCCO4)o3)CC2)nc1,IJXHCDXQHAFVSL-UHFFFAOYSA-N
-rxn:4:212964:224612,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(OCCN4CCOCC4)cc3)cn2)C1,RGWDOUKIBSONPV-UHFFFAOYSA-N
-rxn:4:212989:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2F)CC1,FKBVYLGKVYMMPT-UHFFFAOYSA-N
-rxn:4:212992:226268,CCCOc1c(SC)cccc1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,FTQAKXBIVNQVQB-UHFFFAOYSA-N
-rxn:4:213000:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)Cc4ccccc4)C3)nc2)cc1,SHXYINJXZAHPIH-VGOKPJQXSA-N
-rxn:4:213011:225044,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)cn2)C1,SSWBAAOYKOVHGD-UHFFFAOYSA-N
-rxn:4:213037:223602,CC(C)CCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,AXMMJOHGTOZMSQ-UHFFFAOYSA-N
-rxn:4:213080:223685,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)c2)CC1,ZNOGKURKJXQPKL-UHFFFAOYSA-N
-rxn:4:213098:224683,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)CC1,CNYZIYORBURJLH-UHFFFAOYSA-N
-rxn:4:213114:224662,CN1CCN(Cc2ccc(F)cc2-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)CC1,RVVBRFGTZJTVJY-UHFFFAOYSA-N
-rxn:4:213137:222501,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1,WGYLKBFELJQLAB-UHFFFAOYSA-N
-rxn:4:213147:223755,CC1CCN(CCCOc2ccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,GPKJTWARKQEFCO-UHFFFAOYSA-N
-rxn:4:213169:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCCC4)nn3)cc2)cc1,MNGRTFNCBNHKNE-UHFFFAOYSA-N
-rxn:4:213171:222952,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2cccc(NC(=O)C(F)(F)F)c2F)CC1,JFAHYPYRNLYXGI-UHFFFAOYSA-N
-rxn:4:213183:222540,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)no1,POQAEYDCCLCHJS-SANMLTNESA-N
-rxn:4:213188:222694,O=C(c1ccccc1-c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,GKRQGPFBCGGHMI-UHFFFAOYSA-N
-rxn:4:213196:222634,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,DHHYEAXWFCVIII-UHFFFAOYSA-N
-rxn:4:213213:227501,CN(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,RHLMHBBVQCCXDC-UHFFFAOYSA-N
-rxn:4:213225:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)s1,TZASSOOMBAYERO-FQEVSTJZSA-N
-rxn:4:213248:224971,COc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,SNVNTKSDXKQXSW-UHFFFAOYSA-N
-rxn:4:213252:224680,COc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)c(C(=O)N2CCC(N(C)c3ccccn3)CC2)c1,HJPFQXCRQVLRNT-UHFFFAOYSA-N
-rxn:4:213259:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc2)cc1,PSFNCJABRUCCAY-UHFFFAOYSA-N
-rxn:4:213265:223187,CONS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)c1,JTWVGEXUZRUUIC-UHFFFAOYSA-N
-rxn:4:213268:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c2ccccc12,FMMABTOGSOZMMZ-KMRXNPHXSA-N
-rxn:4:213279:222740,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,HBGBFAUAOWQKIR-UHFFFAOYSA-N
-rxn:4:213281:228058,Cc1nc2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2o1,SGBOLQSOLLMWRJ-UHFFFAOYSA-N
-rxn:4:213290:222587,O=C(N1CCCC(Oc2ncc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)cn2)C1)C1(c2ccccc2)CCOCC1,LHVYRVIGHXZWBF-UHFFFAOYSA-N
-rxn:4:213337:224250,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cc3s2)CC1,FXPVLEYWLVAQFJ-UHFFFAOYSA-N
-rxn:4:213353:224690,O=C1CCN(Cc2ccc(-c3cnccc3OC3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c(F)c2)CC1,JVEBXJWAGSRLFT-UHFFFAOYSA-N
-rxn:4:213363:222584,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)CC3)nc2c1,WADWLXBFNJILSS-UHFFFAOYSA-N
-rxn:4:213382:224612,CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4-c4ccc(OCCN5CCOCC5)cc4)cc3s2)CC1,SSWSRORKAOJSQY-UHFFFAOYSA-N
-rxn:4:213400:224372,COc1cccc(N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C(=O)N6CCCC6)cc([N+](=O)[O-])c5)cc43)CC2)c1,JGYWROUGUVVJFU-UHFFFAOYSA-N
-rxn:4:213416:225664,CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(-c4ccc(N5CCCCC5)cc4Cl)cc2)SCC3)CC1,KPNYFRWCTMZQLD-UHFFFAOYSA-N
-rxn:4:213441:223279,O=C(Cn1ccc2cc(-c3cnc(C4CCCN4)nc3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,DIDVPGJAVDIWFB-UHFFFAOYSA-N
-rxn:4:213448:222635,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cccc([C@H](C)NC(=O)OC(C)(C)C)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,GWKSXOIUJPJUHX-OAWRCXNGSA-N
-rxn:4:213450:222905,Cc1nc2ccc(-c3cccnc3NC(=O)OC(C)(C)C)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,UFMOVGRRELFXOR-UHFFFAOYSA-N
-rxn:4:213458:227762,COc1ccc(-c2cccc(Cl)c2C(F)(F)F)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,KRCYDMXLXDACBP-BIYCFNCWSA-N
-rxn:4:213459:224485,COC(=O)CC[C@@H]1C=C(c2ccccn2)c2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)ccc2-n2c(C)cnc21,WWCIHUBKFWCUHS-MUUNZHRXSA-N
-rxn:4:213472:225290,CC(C)Oc1cc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc(C(F)(F)F)c1,XUBBWWIZXXZUCC-UHFFFAOYSA-N
-rxn:4:213659:222584,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,BNVYGNGMYUUOBM-UHFFFAOYSA-N
-rxn:4:213707:223748,O=C(c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc1Cl)N1CCC(Oc2ncccn2)C1,GMFHPEAJNZFESY-UHFFFAOYSA-N
-rxn:4:213758:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,FGEMFZTYFXIRDU-UHFFFAOYSA-N
-rxn:4:213764:222910,CCCNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c(C)c1,KLGJRVRCAJMXCN-UHFFFAOYSA-N
-rxn:4:213799:222546,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)ncn2)C1,DDMNZBRAYRYNHF-UHFFFAOYSA-N
-rxn:4:213803:224015,Cc1cc(F)c(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1S(=O)(=O)N1CCOCC1,CCLKRELUVBNZMN-UHFFFAOYSA-N
-rxn:4:213824:223695,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,SVIBKPHQPZVUSP-UHFFFAOYSA-N
-rxn:4:213868:223895,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)cc2)CC1,YHVCPUYLKICWFN-UHFFFAOYSA-N
-rxn:4:213874:225982,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,IHMGLQTVWBKOIE-UHFFFAOYSA-N
-rxn:4:213875:222581,CC(C)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12,ZLZMWNKIKLAHFP-UHFFFAOYSA-N
-rxn:4:213879:224078,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,VEDKUOXGGCZERI-UHFFFAOYSA-N
-rxn:4:213881:223681,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc4cc([N+](=O)[O-])ccc4n3C(=O)OC(C)(C)C)cn2)CC1,WVIGXZPHZHFTGM-UHFFFAOYSA-N
-rxn:4:213882:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)c2)CC1,QDOIFSPOQYIGGC-UHFFFAOYSA-N
-rxn:4:213886:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,SWSSPLHDZSAONE-UHFFFAOYSA-N
-rxn:4:213897:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,ITPUTNQJCZJTQJ-UHFFFAOYSA-N
-rxn:4:213908:223770,CC(C)c1nnc(C2CCN(C(=O)c3ccc(-c4cc5c(C#N)cccc5n4C(=O)OC(C)(C)C)o3)CC2)o1,BVSHVURTIRTQHS-UHFFFAOYSA-N
-rxn:4:213924:223755,CC1CCN(CCCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)CC3)cc2F)CC1,NIPCHHUITJOXPB-UHFFFAOYSA-N
-rxn:4:213932:229167,CN(C)c1nc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cs1,KNBCSZUHRBVSSB-UHFFFAOYSA-N
-rxn:4:213971:228831,Cc1c(F)ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,HFVXMFMSJFZOTO-UHFFFAOYSA-N
-rxn:4:213973:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,AVSKBOANSZAMQJ-UHFFFAOYSA-N
-rxn:4:213988:225387,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)cn2)CC1,IFAXDWXFPHETJZ-UHFFFAOYSA-N
-rxn:4:213996:225975,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccnc(N2CCOCC2)c1Cl,CUMTYBCIFYUGHQ-UHFFFAOYSA-N
-rxn:4:214010:225061,Cc1nn(C(=O)c2ccccc2-c2ccc(N3CCC(C)CC3)cc2F)c(C)c1S(=O)(=O)N1CCOCC1,VUPMAGGASZAPGY-UHFFFAOYSA-N
-rxn:4:214029:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C(F)(F)F)c1,SPXOOOOJMTYURF-UHFFFAOYSA-N
-rxn:4:214033:224054,CC(C)Oc1ccc(-c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)cc1,HOLJFRDPHPPJGV-LOYHVIPDSA-N
-rxn:4:214043:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccccc3-c3noc(C4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)n3)cnc21,RIYLBBOCZRBESX-UHFFFAOYSA-N
-rxn:4:214043:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1-c1noc(C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1,RHFFRUXMUJXTLP-UHFFFAOYSA-N
-rxn:4:214046:225074,COc1cccc2c(-c3ccc(N4C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]4C)nc3)c(C(C)C)nn12,YCBJBGVBOXSGSA-RBUKOAKNSA-N
-rxn:4:214086:225383,CC(C)N1CCN(Cc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2N2CCCCC2)CC1,DOTKYZOEUAUUPS-UHFFFAOYSA-N
-rxn:4:214153:224968,Cc1ccc(OCC2CCCO2)c(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1,INIZNARFLXNWGZ-QNSVNVJESA-N
-rxn:4:214183:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)c2)CC1,PQSUVMLRGLQTHX-UHFFFAOYSA-N
-rxn:4:214194:225371,COC(=O)c1cc(-c2ccc3c(c2)c(OC(C)C(=O)N2CCOCC2)nn3C)cnc1C(F)(F)F,KMFRMCDUPICBSJ-UHFFFAOYSA-N
-rxn:4:214220:222584,CC(C)(C)OC(=O)N1CCCC1c1nc2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccc2[nH]1,KZKNSHYAHUEXHQ-UHFFFAOYSA-N
-rxn:4:214229:223037,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3ccc(Cl)c(C(=O)NC4CC4)c3)cn1)C2,ZTTILFDXLIFRSF-UHFFFAOYSA-N
-rxn:4:214231:225882,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(C5CCOCC5)c4)cccc3n2)C1,CTOSNXNVDHICTN-UHFFFAOYSA-N
-rxn:4:214236:225294,CCN1CCN(c2ncc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,YKJBTFDRJKBOCM-UHFFFAOYSA-N
-rxn:4:214256:223661,CC(C)(C)OC(=O)N1CCc2c(c(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)nn2C2CCOC2)C1,BAKVXLJKVLHGSX-UHFFFAOYSA-N
-rxn:4:214292:223187,CONS(=O)(=O)c1cccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c1,YQZGJFULZMUPEC-SVMVAKDDSA-N
-rxn:4:214303:223040,CC(C)N1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(C(=O)NC5CC5)c(F)c4)cc3)nc3ccccn3c2=O)SC1=S,WMCPWHAXNCDOHA-UHFFFAOYSA-N
-rxn:4:214585:222522,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCC(O)CC1,LJNLDCYVGSZHEI-UHFFFAOYSA-N
-rxn:4:214640:224179,CN1CCN(CCOc2ccc(-c3cncc([N+](=O)[O-])c3N3CCC(C(F)(F)F)CC3)cc2)CC1,USJKBQBUKMWFQR-UHFFFAOYSA-N
-rxn:4:214653:223660,COC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2[N+](=O)[O-])CC1,DIPHXHYFRYOXGM-UHFFFAOYSA-N
-rxn:4:214672:223589,COC1CCN(C(=O)c2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)cnn2C)CC1,RXIBUCXCZFVEGD-UHFFFAOYSA-N
-rxn:4:214678:223812,CCN1CCN(C(=O)c2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cnc2Cl)CC1,ZIAVWHLPZZCRFT-UHFFFAOYSA-N
-rxn:4:214684:225889,CN1CCN(C(=O)c2cc(-c3ccnn3COCC[Si](C)(C)C)cc([N+](=O)[O-])c2)CC1,GQLWCWUJCFKOFO-UHFFFAOYSA-N
-rxn:4:214696:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(C5CCCC5)C4)c3)c2)CC1,MBIIQBVSEIXDLP-UHFFFAOYSA-N
-rxn:4:214701:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])ccc3CN3CCN(C)CC3)cc2)CC1,DNOHEVOGOJKPMM-UHFFFAOYSA-N
-rxn:4:214704:222645,CN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,BKDWEQMDQPJUMO-UHFFFAOYSA-N
-rxn:4:214707:224627,CN(C)C1CN(C(=O)c2ccc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2)C1,CQRWFDCMZOZXQV-UHFFFAOYSA-N
-rxn:4:214742:224193,CCN1CCN(Cc2cc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)ccc2F)CC1,OOYVKWDUQNSDFT-UHFFFAOYSA-N
-rxn:4:214744:224672,CCN1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)c(Cl)c2)CC1,BQUXYWWHYCTAIF-UHFFFAOYSA-N
-rxn:4:214751:222721,CC(C)N1CCN(c2cc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)ccc2C#N)CC1,BWADTUFAMXLAHP-UHFFFAOYSA-N
-rxn:4:214771:224714,CCCCOc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N(C)C)CC2)cc1C(F)(F)F,FMBYTOSQINCAGV-UHFFFAOYSA-N
-rxn:4:214773:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCN(C(C)C)CC4)c3)c3ccccc23)CC1,QOZVYRLVMCPOPN-UHFFFAOYSA-N
-rxn:4:214818:224459,CC(C)(C)c1cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)ccc1N1CCCC1,MBIMJSWMLXKQQY-UHFFFAOYSA-N
-rxn:4:214819:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)cn2)CC1,PYLWRNVOYLEIDB-UHFFFAOYSA-N
-rxn:4:214837:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,PIIZNOAZLVUHLX-UHFFFAOYSA-N
-rxn:4:214838:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LGTATADMPVQOBJ-UHFFFAOYSA-N
-rxn:4:214839:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)ccc21,NHSXOZMTUGSECM-UHFFFAOYSA-N
-rxn:4:214862:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c(F)c2)CC1,HIKAOAZBYASJHX-UHFFFAOYSA-N
-rxn:4:214867:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,CNYGOZLLCCXUEL-UHFFFAOYSA-N
-rxn:4:214870:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c2)CC1,BOJJTWLMHHPKTL-UHFFFAOYSA-N
-rxn:4:214870:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)cc2)CC1,AXVDMONVMDTQEJ-UHFFFAOYSA-N
-rxn:4:214870:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,ZJFKIMIANJPCAY-UHFFFAOYSA-N
-rxn:4:214870:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1Cl,PWTRXJLUBUXLBQ-UHFFFAOYSA-N
-rxn:4:214875:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,PKRBNYRREGDMQW-UHFFFAOYSA-N
-rxn:4:214888:224591,CC1CCN(Cc2cc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)ccc2Cl)CC1,OQUYSZHHFVMCRD-UHFFFAOYSA-N
-rxn:4:215056:225219,CC1CCCCN1c1cc(F)c(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cn1,HRNZWQSTBQJPGM-UHFFFAOYSA-N
-rxn:4:215114:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)c(F)cc2C)CC1,JYGFFZFGEMQSGK-UHFFFAOYSA-N
-rxn:4:215127:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C(=O)C6CC6)CC5)sc4c3)c2)CC1,SJPRKKREJLDNAE-UHFFFAOYSA-N
-rxn:4:215166:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2C(=O)N2C3CCC2CC(n2cccn2)C3)CC1,DZFQWPHPSHOVHX-UHFFFAOYSA-N
-rxn:4:215183:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CC(N5CCc6ccccc6C5)C4)c3)n(C(=O)OC(C)(C)C)c12,HIXWEXBTGNZKED-UHFFFAOYSA-N
-rxn:4:215197:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)CC1,IPMYAQONDLYRSW-UHFFFAOYSA-N
-rxn:4:215214:228016,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cc(C5CCCC5)cs4)n3C2)C1,TUTCHOBYXNCXKC-UHFFFAOYSA-N
-rxn:4:215766:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCOCC4)cnn3C)cc2F)CC1,HQAXOAILQZQWDB-UHFFFAOYSA-N
-rxn:4:215900:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,XUKVHLIUQGVWSV-UHFFFAOYSA-N
-rxn:4:215904:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,AJIKCCSXQKNXHP-UHFFFAOYSA-N
-rxn:4:215945:223786,CN1CCN(CCCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,QEXVMLHLXHPPSI-UHFFFAOYSA-N
-rxn:4:215956:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,PLQIRQRRAAFIMC-RQNOJGIXSA-N
-rxn:4:216197:223985,COc1ccc(-c2nn(C3CCCCO3)c3ccc([N+](=O)[O-])cc23)cc1S(=O)(=O)N1CCCCC1,MLFFIAPBSNDICM-UHFFFAOYSA-N
-rxn:4:216319:225632,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cccc(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,PSGVVSYVIZBZHN-UHFFFAOYSA-N
-rxn:4:216354:223093,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc1C1CC(c3ccccc3)=NN12,XNNBWOOYXXFTCN-UHFFFAOYSA-N
-rxn:4:216356:225611,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCC5)cc4OC)ccc2OC32CCN(C)CC2)cc1,AMTJJFKSJJHAIW-UHFFFAOYSA-N
-rxn:4:216356:226993,CCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1C,HEBLMIBIYIWMHR-UHFFFAOYSA-N
-rxn:4:216356:227331,COc1ccc(C2=NN3C(C2)c2cc(-c4c(F)cccc4OC(C)C)ccc2OC32CCN(C)CC2)cc1,ZZPNGBXZQZEMND-UHFFFAOYSA-N
-rxn:4:216581:223482,Cc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1N=[N+]=[N-],HLFFOOSBDYWRBG-UHFFFAOYSA-N
-rxn:4:217541:223482,Cn1cc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc([N+](=O)[O-])c2n1,PMHBRFZTPWCPFW-UHFFFAOYSA-N
-rxn:4:217634:222389,NS(=O)(=O)c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)nc2n1CCOC2,RJDZXFODOCRJFI-UHFFFAOYSA-N
-rxn:4:217902:222394,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1,PJJUARYSSDSDCD-IYARVYRRSA-N
-rxn:4:217902:224286,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(OCCN2CCOCC2)c(Cl)c1,RACAKLZGHRUVOX-UHFFFAOYSA-N
-rxn:4:217905:222718,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccc2OC32CCN(C)CC2)o1,HSTIZGRPHLAQAE-UHFFFAOYSA-N
-rxn:4:218557:224325,COc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1CCC(=O)N1CC(n2ccnn2)C1,YTKZNIVMOQGPMN-UHFFFAOYSA-N
-rxn:4:218578:227743,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cc(C(F)(F)F)ccc3Cl)cn2)CC1,FEDCRSXPCFMFAC-UHFFFAOYSA-N
-rxn:4:218579:225313,CCN1CCN(c2oc(COc3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)nc2C#N)CC1,NDRKUDAKRFYLQB-UHFFFAOYSA-N
-rxn:4:218587:223697,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)CC2)cc1,WEAMTKDQWBFCPI-UHFFFAOYSA-N
-rxn:4:218607:223505,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)cn1,VISGOFQONCEDHY-UHFFFAOYSA-N
-rxn:4:218656:224932,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(CN(C)C(C)C)ccc3OC)cn2)C1,HTOSORTZUQACNX-UHFFFAOYSA-N
-rxn:4:218664:225977,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)cc1,BQEDKAZOILQBQC-UHFFFAOYSA-N
-rxn:4:218666:224767,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cccc(C(=O)N5CCOCC5)c4F)c3)C2)nn1,UGFUPGRQKIHZBS-UHFFFAOYSA-N
-rxn:4:218682:224751,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cn3)C2)CC1,FMXJUOILPYEDDL-UHFFFAOYSA-N
-rxn:4:218687:226888,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)c(F)c(C(F)(F)F)c4)c3)CC2)nn1,VRFFHJDCHOKBGU-UHFFFAOYSA-N
-rxn:4:218695:227332,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Cl)ccc4OC(C)C)c3C)CC2)cc1,CDGUXPFLRIGTLY-UHFFFAOYSA-N
-rxn:4:218710:223077,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DXGLRYHMMWVQPN-UHFFFAOYSA-N
-rxn:4:218710:223115,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CCNC(C)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XRKNPYXNMBFYSC-UHFFFAOYSA-N
-rxn:4:218710:223161,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FPHIYCBMZJMJGD-UHFFFAOYSA-N
-rxn:4:218710:223167,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YROHJEUGAVKHGC-UHFFFAOYSA-N
-rxn:4:218710:223399,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CNC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IPOPXXGPUYAXCK-UHFFFAOYSA-N
-rxn:4:218710:223510,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KPBNUINKFRXLRH-UHFFFAOYSA-N
-rxn:4:218710:223663,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OCc5ccccc5)cc(OC(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HKQQNFYFGRWBIV-UHFFFAOYSA-N
-rxn:4:218710:223729,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(C)(C)C)ccc4OCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QVODNLNDNIKWCB-UHFFFAOYSA-N
-rxn:4:218710:224850,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZMGFWOCJZKUKJP-VAWYXSNFSA-N
-rxn:4:218710:224980,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CC5)cc(-n5cccn5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SZJXEOAZVPHUOG-UHFFFAOYSA-N
-rxn:4:218710:225033,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4Oc4ccc(F)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SANHKRPYZAFWCZ-UHFFFAOYSA-N
-rxn:4:218710:225435,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CN4CCCCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OSFQJOTUUKNKMA-UHFFFAOYSA-N
-rxn:4:218710:226398,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-n5ccnc5C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FKDAIZOHTZUGMR-UHFFFAOYSA-N
-rxn:4:218710:227154,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)n(C)nc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VDFHJUCCKZZHFU-UHFFFAOYSA-N
-rxn:4:218710:227345,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC(C)C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ORNZACKXHGJVQI-UHFFFAOYSA-N
-rxn:4:218710:227387,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N5CCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHVSPZILQUNEGS-UHFFFAOYSA-N
-rxn:4:218710:227831,CCc1c(C)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1C,UEYQLAROLCQDRA-UHFFFAOYSA-N
-rxn:4:218710:228347,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(N5CCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OFLZIDWNPKYZHG-UHFFFAOYSA-N
-rxn:4:218710:228488,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)cc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NAQUKSCQFBQKOC-UHFFFAOYSA-N
-rxn:4:218710:228504,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5c4CCC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KFSDQSZPQSKLPA-UHFFFAOYSA-N
-rxn:4:218710:228618,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)Cl)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ASVNCAPMJIAMMN-UHFFFAOYSA-N
-rxn:4:218711:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,BXWSPHHQFDMQPU-UHFFFAOYSA-N
-rxn:4:218711:226283,CC(C)COc1ccc(F)c(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,RZLIILKAZHSQAC-UHFFFAOYSA-N
-rxn:4:218716:222424,COC(=O)Cn1c(=O)c2c(nc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)n2CC(=O)OC)n(C)c1=O,BTQXEQAHZOXDNC-UHFFFAOYSA-N
-rxn:4:218768:223142,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(C2CCCNC2)nc1,CCDANSZSBRSQAS-UHFFFAOYSA-N
-rxn:4:218773:222684,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc1)SCC2)N1CCN(c2ccccc2)CC1,LWDKYYFIEOHZHC-UHFFFAOYSA-N
-rxn:4:218787:222481,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(F)c(C(=O)Nc3cc(C)ccc3C)c2)c1,REURWSWBOTXAJR-UHFFFAOYSA-N
-rxn:4:218814:223753,Cc1ccc(-c2cccc(-n3nnn(CC(=O)OC(C)(C)C)c3=O)c2)cc1OCCCN1CCN(C)CC1,FFFLWJLEKFRNTD-UHFFFAOYSA-N
-rxn:4:218867:225182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)no1,CJLJQVYJKXEIQA-UHFFFAOYSA-N
-rxn:4:218867:225794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCCC4)nc3)c2)no1,PVKMHASNZVCIRJ-UHFFFAOYSA-N
-rxn:4:218883:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)c1,RRSMOGPCGYRGPY-UHFFFAOYSA-N
-rxn:4:218885:224759,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,FYVAMTLTZLOJJO-UHFFFAOYSA-N
-rxn:4:218894:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,IMCWWCWRCAXJRH-UHFFFAOYSA-N
-rxn:4:218915:224325,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cs1,LZSOFSPPZPUDHL-UHFFFAOYSA-N
-rxn:4:218945:225979,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCOCC4)c(Cl)c3)cncc2[N+](=O)[O-])CC1,QFVRHWZABCHBAK-UHFFFAOYSA-N
-rxn:4:218948:227962,Cc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CC2)n1,IUWGSDNYSZHPON-UHFFFAOYSA-N
-rxn:4:218963:223917,CN(C(=O)c1cc(F)cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCCCC1,VPPFEUMHADPLAW-UHFFFAOYSA-N
-rxn:4:218972:225313,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)s1,WFUYXTBNNDCCKN-UHFFFAOYSA-N
-rxn:4:218973:224198,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(CN5CCN(CC)CC5)cc4F)c3)CC2)nc1,IJQBMRPURKEIPY-UHFFFAOYSA-N
-rxn:4:218994:224252,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)cn3)C2)s1,WDBIEMBWPBLPSN-UHFFFAOYSA-N
-rxn:4:219002:222546,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,WSFHKTONXANYAW-UHFFFAOYSA-N
-rxn:4:219016:225301,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cc(OC4CCOCC4)ncc3F)c2)C1,JXLPYCIDBXISIZ-UHFFFAOYSA-N
-rxn:4:219070:224326,Cc1cc(-c2ccc(-c3cc(N4CCCN(C(=O)Cc5ccccc5)CC4)[nH]n3)cc2)ccc1S(=O)(=O)N1CCCCC1,KUKSBTLVTTVRFC-UHFFFAOYSA-N
-rxn:4:219077:225061,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(N6CCC(C)CC6)cc5F)cc4)n[nH]3)CC2)cc1F,IKLJIQBWIDGZFU-UHFFFAOYSA-N
-rxn:4:219093:224497,CCC(=O)C1=C(c2ccc(-c3ccc(CN4CCN(CC)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,GRIFUDRUJPEECF-UHFFFAOYSA-N
-rxn:4:219155:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(C)cn5)C4)c3)cc2)CC1,YUUDIJDOUGHVGT-UHFFFAOYSA-N
-rxn:4:219155:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c1,AWPPFWLLLFLAOR-UHFFFAOYSA-N
-rxn:4:219155:225883,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c2)C3)nc1,SLSVKASMDKMPAF-UHFFFAOYSA-N
-rxn:4:219184:222896,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc2)OC3)CC1,ZQMWXEPLJZKQEW-UHFFFAOYSA-N
-rxn:4:219207:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)cc1,SFNWKIUJOFUUIX-UHFFFAOYSA-N
-rxn:4:219363:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2cnn(C)c2)C1,WGXRVFUHNAEFND-UHFFFAOYSA-N
-rxn:4:219381:222583,CSc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,WKQGRQHEEDKPPY-UHFFFAOYSA-N
-rxn:4:219381:224807,CSc1ncc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,HUYBGNBAQXKCMR-UHFFFAOYSA-N
-rxn:4:219381:226473,CSc1ncc(-c2cccnc2OCCN(C)C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,JTFGRCGVVYWEDV-UHFFFAOYSA-N
-rxn:4:219388:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)CC1,RXACPNUBTFZYTE-UHFFFAOYSA-N
-rxn:4:219400:223755,CC1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)c3)cc2F)CC1,ARGJFRYAWBKDRN-UHFFFAOYSA-N
-rxn:4:219403:226144,C[Si](C)(C)C#Cc1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cc1,BYPXAOHSAMZWJJ-UHFFFAOYSA-N
-rxn:4:219418:224375,COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)c3)CC2=O)ccn1,SXNKYHBUSZRPSV-UHFFFAOYSA-N
-rxn:4:219433:222729,CCCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)cc(C2CCCNC2)n1,VOXLEXCGZXDCTB-UHFFFAOYSA-N
-rxn:4:219433:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)c1,YVDAXDDTMOAEJH-UHFFFAOYSA-N
-rxn:4:219436:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,VJGAMIJJEHSNBC-UHFFFAOYSA-N
-rxn:4:219436:228348,CN(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)n1,HNCOGYYUHZVPEV-UHFFFAOYSA-N
-rxn:4:219471:223945,CSc1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,STSASGIRRDUSFC-UHFFFAOYSA-N
-rxn:4:219494:223491,Cc1cc(N2CCC(Oc3ccncc3-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)C2)nc(C2CC2)n1,BGYIKKFDHDZCPW-UHFFFAOYSA-N
-rxn:4:219499:228356,CC(C)c1nc(Cl)ncc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C#N)c1,QLKNFCMFULTPSR-UHFFFAOYSA-N
-rxn:4:219501:226249,CCCCOc1cc(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,INMIVSHRFPHYMC-UHFFFAOYSA-N
-rxn:4:219506:226425,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)s1,QFDRYAIGMODWEC-UHFFFAOYSA-N
-rxn:4:219531:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,KBXPOHJVRIYEPX-UHFFFAOYSA-N
-rxn:4:219536:222629,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)o3)CC2)cn1C,JEMQQFOQINHMTR-UHFFFAOYSA-N
-rxn:4:219547:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,IZUZKJPOOQZIAF-UHFFFAOYSA-N
-rxn:4:219552:222634,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,BETPTGBUGLINOO-UHFFFAOYSA-N
-rxn:4:219559:225741,CCCCOc1c(F)cc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)o2)cc1Cl,VTQHSHWBXRGPKF-UHFFFAOYSA-N
-rxn:4:219565:224997,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc3)CC2)n1,OHLDOPNWGIZKDL-UHFFFAOYSA-N
-rxn:4:219622:224350,CC(=O)Cn1c(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C,PKVGXEBTMDFCTP-UHFFFAOYSA-N
-rxn:4:219624:222730,CCCc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)cc(C2CCNCC2)n1,MSJUYUBNOCFVIZ-UHFFFAOYSA-N
-rxn:4:219653:223064,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(C5CCNCC5)nc4F)nc3s2)CC1,FGPJXLNILQGMBP-UHFFFAOYSA-N
-rxn:4:219657:223969,CC(=O)Cn1c(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2C,VREFXIHKRXJGIB-UHFFFAOYSA-N
-rxn:4:219668:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nsnc56)CC4)c3)c2)CC1,ZTIWHMACPSYUND-UHFFFAOYSA-N
-rxn:4:219689:225979,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)n3c2)CC1,QHMAFFBLMOAJBW-UHFFFAOYSA-N
-rxn:4:219706:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2Cl)CC1,MSFNNJGXNCJYLH-UHFFFAOYSA-N
-rxn:4:219707:225825,CN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,DNFHMMRQGSXBJQ-UHFFFAOYSA-N
-rxn:4:219717:222826,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc4)CC3C2)n1,YZLOQQWVWPAYOC-UHFFFAOYSA-N
-rxn:4:219750:223181,CCNS(=O)(=O)c1cccc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,NAWIPDMQUCSXAP-UHFFFAOYSA-N
-rxn:4:219750:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(OC)cc1C(=O)N1CCCc3cnc(N4CCOCC4)nc31)n2C(=O)OC(C)(C)C,XWJLFJPREJRFHR-UHFFFAOYSA-N
-rxn:4:219759:222583,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc2)OC3)CC1,KJYIGYIKHNFTDR-UHFFFAOYSA-N
-rxn:4:219766:224795,CCN(CC)S(=O)(=O)c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)ccc1F,SDCUCFNTWSTYRC-UHFFFAOYSA-N
-rxn:4:219853:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cn2)CC1,JQXKWPIPHSFWQZ-UHFFFAOYSA-N
-rxn:4:219867:223559,CCN1CCN(c2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,JHNYCZHYKHDAHC-UHFFFAOYSA-N
-rxn:4:219912:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(c4ccc(C#N)cn4)CC3)c2)c(C(F)(F)F)c1,IVTGMVBMKLWWPQ-UHFFFAOYSA-N
-rxn:4:219955:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2Cl)CC1,PLZPHWYOEZINKY-UHFFFAOYSA-N
-rxn:4:219957:222466,COc1cccc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)c1,QYZXNVNNYYSRPN-UHFFFAOYSA-N
-rxn:4:219991:223977,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)c3)CC2)C1=O,FOTHANUFPGMEBI-UHFFFAOYSA-N
-rxn:4:219991:227476,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cn1,RREGQXWGSIIAQQ-UHFFFAOYSA-N
-rxn:4:219997:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)c1,BHXQNCABBRGEND-UHFFFAOYSA-N
-rxn:4:220137:224404,O=S(=O)(c1ccc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc1F)N1CCOCC1,NIVACSBWCJFJCH-UHFFFAOYSA-N
-rxn:4:220154:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,SJGCEHZIZINYIX-UHFFFAOYSA-N
-rxn:4:220159:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c2)CC1,XKXRKNMIQXPEGO-UHFFFAOYSA-N
-rxn:4:220159:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)cc2)CC1,BSPUJANFLXPJQD-UHFFFAOYSA-N
-rxn:4:220221:222684,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc2)OC3)CC1,QGOPCOHRJZFIEC-UHFFFAOYSA-N
-rxn:4:220398:224155,CN1CCN(c2cc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc(C3CC3)c2)CC1,CJNYRVYFKQKPSD-UHFFFAOYSA-N
-rxn:4:220414:224768,Cc1c(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],DIKQUUXBDVGYGV-UHFFFAOYSA-N
-rxn:4:220518:223527,CCN1CCN(c2cnc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)CC1,SLECJFNZFQSXBG-UHFFFAOYSA-N
-rxn:4:220545:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)CC1,BOTXTTWDRMGHLC-UHFFFAOYSA-N
-rxn:4:221099:222632,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c(C(F)F)n1,UBLFTHBCDRLWOH-UHFFFAOYSA-N
-rxn:4:221103:225050,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)cn1,SKLVBYKQVTUXBP-UHFFFAOYSA-N
-rxn:4:221107:222589,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cn3)C2)c(=O)c1C,AZLBILQXYRPYMZ-UHFFFAOYSA-N
-rxn:4:221107:225357,CCOc1cc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)c(C)c4=O)C3)nc2)c(F)c(C(F)(F)F)c1,NRSHDFMCFUKLAR-UHFFFAOYSA-N
-rxn:4:221115:225232,CCOc1ccc(-c2cnc(Cl)c(N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,HZXZVNYWEPIAPH-UHFFFAOYSA-N
-rxn:4:221121:223912,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(OCc2ccccc2)c1Cl,YGARKBDSLIZDGB-UHFFFAOYSA-N
-rxn:4:221121:223993,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,ZBINTAZXXFBLIB-UHFFFAOYSA-N
-rxn:4:221121:224136,Cc1cc(OCc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)ccc1Cl,ZFKKUHTYNLSRTJ-UHFFFAOYSA-N
-rxn:4:221121:224476,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)ncn6C5CCCCC5)ccc43)CC2)CC1,VUQJWGIRAYSUGA-UHFFFAOYSA-N
-rxn:4:221121:226274,CC(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C#N,QBAFRASISXLWJY-UHFFFAOYSA-N
-rxn:4:221121:226383,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cnn(C)c6)c5)ccc43)CC2)CC1,FYMXSYXBBHTRKR-UHFFFAOYSA-N
-rxn:4:221121:226671,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6cccc(F)c6)c5)ccc43)CC2)CC1,NCMBKABDINMIKR-UHFFFAOYSA-N
-rxn:4:221121:226674,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6ccnc6)cc5F)ccc43)CC2)CC1,ZKHYBKYIGINUDW-UHFFFAOYSA-N
-rxn:4:221121:227155,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc2c1cnn2C,OYZJVFJPJQSRBX-UHFFFAOYSA-N
-rxn:4:221149:222684,N#Cc1ccc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)nc1,NEBPLOWQLZTGIZ-UHFFFAOYSA-N
-rxn:4:221158:222723,Cc1noc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)n1,XAQQOTPUCSZQLL-UHFFFAOYSA-N
-rxn:4:221169:222693,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)cn1,GWYWGXYSGIKWTG-UHFFFAOYSA-N
-rxn:4:221169:224818,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C2)cn1,OHRKTUOSWNJIBP-UHFFFAOYSA-N
-rxn:4:221175:226458,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc5c(c4)c(C#N)nn5C)cn3)C2)C(=O)C1=O,GBEREIVGYDWOIE-UHFFFAOYSA-N
-rxn:4:221175:228264,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(C)cc4Cl)cn3)C2)C(=O)C1=O,YLCQFQUCHNYFPE-UHFFFAOYSA-N
-rxn:4:221175:228348,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C)nc4F)cn3)C2)C(=O)C1=O,KTQOSPOSIPFLIW-UHFFFAOYSA-N
-rxn:4:221175:228353,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)c(Cl)c4)cn3)C2)C(=O)C1=O,PHDJRGFHODHNCL-UHFFFAOYSA-N
-rxn:4:221175:228361,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(N(C)C)ncc4F)cn3)C2)C(=O)C1=O,OUXISXCPFKKSNY-UHFFFAOYSA-N
-rxn:4:221175:228363,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)cc4F)cn3)C2)C(=O)C1=O,ODJUBUZXZGMULS-UHFFFAOYSA-N
-rxn:4:221175:228742,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(C#N)c4)cn3)C2)C(=O)C1=O,ASKCOQGPKWQCPK-UHFFFAOYSA-N
-rxn:4:221175:228887,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ncc4Cl)cn3)C2)C(=O)C1=O,UQIYZHOQQVNADG-UHFFFAOYSA-N
-rxn:4:221175:228888,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ncc4F)cn3)C2)C(=O)C1=O,JUPOQZBHABPGLG-UHFFFAOYSA-N
-rxn:4:221180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1C,ASABNFSFNPWBSI-UHFFFAOYSA-N
-rxn:4:221180:224325,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)nn1C,JLSZLVNLNFSTMK-UHFFFAOYSA-N
-rxn:4:221206:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccn1)C(F)(F)F,SDRPJBRPEYYAJB-UHFFFAOYSA-N
-rxn:4:221207:224120,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)c(C)c4)cc3)CC2)n1,FEPURYOSZIXWPS-UHFFFAOYSA-N
-rxn:4:221207:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,MXRBJWGCVAEVBV-UHFFFAOYSA-N
-rxn:4:221207:225575,COC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C1CC1,QREDAOUMXDCPLI-UHFFFAOYSA-N
-rxn:4:221207:226720,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)cn1,KYNSUBXHWKRISS-UHFFFAOYSA-N
-rxn:4:221207:226766,Cc1ccc(OC(F)(F)F)c(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,CDDLNDSCYZPWSF-UHFFFAOYSA-N
-rxn:4:221207:227363,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(F)c4OC(C)C)cc3)CC2)n1,MCIRJXSDPYWTKC-UHFFFAOYSA-N
-rxn:4:221209:223196,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccccc4CNC4CC4)cc3)CC2)n1,LXRHLQAHUNXFJU-UHFFFAOYSA-N
-rxn:4:221209:223520,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,WFCJKHWEBDXRNW-UHFFFAOYSA-N
-rxn:4:221209:224017,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)CC2)n1,XBHZYALHBJNGCQ-UHFFFAOYSA-N
-rxn:4:221209:224414,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,SKUXDIIZTVWROR-UHFFFAOYSA-N
-rxn:4:221209:225361,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cc3)CC2)n1,LLZRYHJOFQWLGG-UHFFFAOYSA-N
-rxn:4:221209:226144,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)CC2)n1,IHRRWJKRYZWSTO-UHFFFAOYSA-N
-rxn:4:221221:224171,O=C(c1cncc(-c2ccc(OCCCN3CCCC3)c(F)c2)c1)N1CCC(COc2ccc3nccn3n2)CC1,CCAZTABRNBKWOI-UHFFFAOYSA-N
-rxn:4:221228:222674,O=C(NC1CCCCC1)c1cccc(-c2cnc(OCC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)c1F,HRDGGQRGNKWKJT-UHFFFAOYSA-N
-rxn:4:221231:224008,COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ccc(-c4cc(C(=O)N5CCOCC5)cc([N+](=O)[O-])c4)cc3)n1)CC2,OUHOFZRTPIRVNB-UHFFFAOYSA-N
-rxn:4:221232:225977,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C1)CCOC2,JCCMDNOQNZSSCD-UHFFFAOYSA-N
-rxn:4:221247:224767,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cccc(C(=O)N5CCOCC5)c4F)cc3)nc2n(C)c1=O,FHRNAJNOZXFGCT-UHFFFAOYSA-N
-rxn:4:221249:225170,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)ccc5CN5CCOCC5)cnn4c3)cc2)CC1,JGQQWIBRKDARLU-UHFFFAOYSA-N
-rxn:4:221250:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c1,CVMYAVZOFYIEJZ-UHFFFAOYSA-N
-rxn:4:221272:225975,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,LDXNVZVMLAMUPZ-UHFFFAOYSA-N
-rxn:4:221274:222705,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1,KQXDKKJZRDLHRL-UHFFFAOYSA-N
-rxn:4:221327:223712,COc1ccc(-c2cnn(CC3CN(c4cc(C)nc(SC)n4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,BJTAFVWGMITIES-UHFFFAOYSA-N
-rxn:4:221353:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)ccc2C)CC1,HDWNDPSZDKDOKH-UHFFFAOYSA-N
-rxn:4:221360:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cn(C)cn5)C4)nc3)cc2)CC1,JYGZWPWUPZLLGA-UHFFFAOYSA-N
-rxn:4:221368:222514,CCc1cc(N2CCC(Oc3ncc(-c4ccc(OC)c(S(=O)(=O)NC5CCCCC5)c4)cn3)CC2)ncn1,ZYDGXYNHEJXPFK-UHFFFAOYSA-N
-rxn:4:221375:223595,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)cc1=O,DLRPCVUOSMWXNN-UHFFFAOYSA-N
-rxn:4:221381:225952,Cc1nc(N2CCN(C(=O)c3cncc(-c4cnc(N5CCOCC5)nc4C)c3)CC2)cc(C(F)(F)F)n1,GYDRIYYMGSFJPN-UHFFFAOYSA-N
-rxn:4:221392:223671,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,ZNWWINVXIVTSIU-UHFFFAOYSA-N
-rxn:4:221394:222632,O=C(NCCN1CCCC1)c1cccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c1,FLQVZSCEKYFSSS-UHFFFAOYSA-N
-rxn:4:221394:223697,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,BWNHPQBNJYMUMX-UHFFFAOYSA-N
-rxn:4:221411:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)c(Cl)c2)CC1,ZOOGYNMXRXUXNC-UHFFFAOYSA-N
-rxn:4:221413:223872,CCN(C(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c1)C1CCCCC1,VDNUOMJCYSZLFL-UHFFFAOYSA-N
-rxn:4:221416:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)s1,NVCCELHZJJRDQY-UHFFFAOYSA-N
-rxn:4:221416:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)o3)cc2F)CC1,NZFPLQKERZJVEA-UHFFFAOYSA-N
-rxn:4:221436:226090,CCN(CC)Cc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)c1,WTFRWCAKWFSDOX-UHFFFAOYSA-N
-rxn:4:221438:223076,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)o3)CC2)nn1,FTZMAUAKRCIQRK-UHFFFAOYSA-N
-rxn:4:221441:225947,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cnc(N5CCN(C)CC5)nc4)c3)CC2)n1,FSPQQTVIQHMFES-UHFFFAOYSA-N
-rxn:4:221442:222977,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(C(=O)NC4CC4)ccc3C)CC2)n1,JDHDGXUTEVZQIG-UHFFFAOYSA-N
-rxn:4:221447:222696,Cc1cc(N2CCN(Cc3ccc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,UOOXRGRLWINLJY-UHFFFAOYSA-N
-rxn:4:221447:222770,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,GVBPALNZESPLPT-UHFFFAOYSA-N
-rxn:4:221447:225309,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4Cl)cc3)CC2)nc(N2CCOCC2)n1,LRYAHWAMTFXZOE-UHFFFAOYSA-N
-rxn:4:221449:222773,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCOCC5)cc4)cc3)CC2)n1,YXSCBDFVLOXRCN-UHFFFAOYSA-N
-rxn:4:221449:222813,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(Cl)c4)cc3)CC2)n1,WVKQEAKTJWGJDM-UHFFFAOYSA-N
-rxn:4:221449:223572,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c5ccccc45)cc3)CC2)n1,QFBKAZFWZTTWDZ-UHFFFAOYSA-N
-rxn:4:221449:224103,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4)cc3)CC2)n1,LEKCAASOPHJEJN-UHFFFAOYSA-N
-rxn:4:221449:224248,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(Cl)c4)cc3)CC2)n1,MRXSEYNCWGSARQ-UHFFFAOYSA-N
-rxn:4:221449:224934,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN5CCCC5)c4)cc3)CC2)n1,UPOPGAWFDNOGGP-UHFFFAOYSA-N
-rxn:4:221449:226233,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN(C)C)cc4)cc3)CC2)n1,YKFOFBZRWRYQBX-UHFFFAOYSA-N
-rxn:4:221449:227723,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(F)F)c(Cl)c4)cc3)CC2)n1,BAPQLHVVFNLATR-UHFFFAOYSA-N
-rxn:4:221453:223224,CCNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,MFIUASHPZOCZMU-UHFFFAOYSA-N
-rxn:4:221453:223481,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)n1,WUKBPYAGVJQDEM-UHFFFAOYSA-N
-rxn:4:221453:224088,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCCCCC5)cc4)cc3)CC2)n1,BSYPJLBJADUORA-UHFFFAOYSA-N
-rxn:4:221453:225297,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)CC2)n1,AXBLEJCOFYMBOO-UHFFFAOYSA-N
-rxn:4:221453:225723,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN(C)C)c(Cl)c4)cc3)CC2)n1,CSWWWPASJLCDLR-UHFFFAOYSA-N
-rxn:4:221453:227407,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)cnc4C(C)(C)C)cc3)CC2)n1,DNTCBKSXQNDLLQ-UHFFFAOYSA-N
-rxn:4:221453:227699,COc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c(OC)n1,AATRUNSBZPEBNM-UHFFFAOYSA-N
-rxn:4:221456:222653,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)Nc5ccccc5)c4)cc3)CC2)n1,MIEZGOKRGMWCDM-UHFFFAOYSA-N
-rxn:4:221456:222655,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)cc3)CC2)n1,ONSLINVCAWFDTD-UHFFFAOYSA-N
-rxn:4:221456:222975,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)cc4C)cc3)CC2)n1,JIWAUBSJKABRAH-UHFFFAOYSA-N
-rxn:4:221456:225527,CCN(CC)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,AGOZDNWOTRLSHJ-UHFFFAOYSA-N
-rxn:4:221456:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,VYSBCJBCGVIXDS-UHFFFAOYSA-N
-rxn:4:221456:225883,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCOCC5)c(Cl)c4)cc3)CC2)n1,VZPMLSXQOUOBAH-UHFFFAOYSA-N
-rxn:4:221456:227220,CCOCSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,VVBZTCDRFUPACW-UHFFFAOYSA-N
-rxn:4:221456:227587,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(F)c1OC,VSRNHQSUSGKEKQ-UHFFFAOYSA-N
-rxn:4:221456:227702,COC(=O)c1cnc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IHUYBGCTNDRKRV-UHFFFAOYSA-N
-rxn:4:221456:227740,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C(F)(F)F)n1,XWYHTCPLGQNFKQ-UHFFFAOYSA-N
-rxn:4:221463:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(SCc5nc6cc([N+](=O)[O-])ccc6[nH]5)[nH]c4c3)cc(F)c2F)CC1,OIVLRXONLJVYNX-UHFFFAOYSA-N
-rxn:4:221494:222632,CN(C(=O)c1cncc(-c2cccc(C(=O)NCCN3CCCC3)c2)c1)C1CN(c2cc3c(nn2)CCC3)C1,LRNKMESZJCVUEE-UHFFFAOYSA-N
-rxn:4:221505:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(COc6cnccn6)CC5)ncc4c3)c(F)cc2C)CC1,NNTQGXXSCPIHJB-UHFFFAOYSA-N
-rxn:4:221515:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)c1,LMGHXYQLTHVUBQ-UHFFFAOYSA-N
-rxn:4:221528:224666,CC(C)c1sc(-c2ccc(F)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,UWWHTANYUJUYNV-UHFFFAOYSA-N
-rxn:4:221570:222715,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cc3)c(=O)n2C)c1,ZQNSEQXEFNFPPC-UHFFFAOYSA-N
-rxn:4:221634:224328,Cc1ccnc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)cc3C(F)(F)F)CC2)n1,XPDFRCFZMKIKTO-UHFFFAOYSA-N
-rxn:4:221769:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCN6c5cc(C)cc(C)c5)n(C)c4=O)cc3)ccc2F)CC1,XFZDNVUSWHPYKD-UHFFFAOYSA-N
-rxn:4:221780:224180,CN1CCN(CCOc2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)CC1,JGBAVHXELCOCFK-UHFFFAOYSA-N
-rxn:4:221832:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,NTUGLFFIUJMLRJ-UHFFFAOYSA-N
-rxn:4:221832:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,NHFDDKQJMBJYJK-UHFFFAOYSA-N
-rxn:4:221920:223791,CCOc1ccc(-c2ccc(C(=O)N(C)c3ccc(OC)cc3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,OACRWDMZMXVZTF-UHFFFAOYSA-N
-rxn:4:221938:224570,CC(c1ccc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nn4)C3)nc2)cc1)N1CCN(C)CC1,NOEGIAAWLONZRF-UHFFFAOYSA-N
-rxn:4:221965:222532,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)Nc6cc(C)ccc6C)c5)cc4)CC3)nn2)CC1,MLFLIVMGAXSCKB-UHFFFAOYSA-N
-rxn:4:221965:223944,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)c(Cl)cc6c5cnn6C5CCCCO5)cc4)CC3)nn2)CC1,DOEKOADMMCCXRX-UHFFFAOYSA-N
-rxn:4:221965:224736,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5OCC(C)C)cc4)CC3)nn2)CC1,BUXCCUVMJXRUCU-UHFFFAOYSA-N
-rxn:4:221965:225652,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(N6CCCC(C)C6)c5)cc4)CC3)nn2)CC1,NTQCTDLFLRMLMK-UHFFFAOYSA-N
-rxn:4:221965:225927,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)ccc5N(C)C)cc4)CC3)nn2)CC1,XILMPBFKGCIOFL-UHFFFAOYSA-N
-rxn:4:221965:226033,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(F)c(C(F)(F)F)c5)cc4)CC3)nn2)CC1,OYARNQLMJNXCOM-UHFFFAOYSA-N
-rxn:4:221965:226105,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(COC(C)(C)C)cc5)cc4)CC3)nn2)CC1,ITCXODJVIGGSPB-UHFFFAOYSA-N
-rxn:4:221965:226145,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC6CCCC6)cc5)cc4)CC3)nn2)CC1,DBBCYGAJVWBHEA-UHFFFAOYSA-N
-rxn:4:221965:226284,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cc(OCC(C)C)c5)cc4)CC3)nn2)CC1,CXWNPSHGEBPVHB-UHFFFAOYSA-N
-rxn:4:221965:226318,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)nc(N(C)C)c5)cc4)CC3)nn2)CC1,OSEMDRFQMFDQJS-UHFFFAOYSA-N
-rxn:4:221965:226532,CCOC(=O)c1cc(F)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,GEYRTQLVMVBYQL-UHFFFAOYSA-N
-rxn:4:221965:228112,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)ccc5OC)cc4)CC3)nn2)CC1,UARPRCRVVOXCGK-UHFFFAOYSA-N
-rxn:4:221965:228379,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)cc5C#N)cc4)CC3)nn2)CC1,AJPXYRKHNYPBAX-UHFFFAOYSA-N
-rxn:4:221965:228419,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(SC)cc5F)cc4)CC3)nn2)CC1,GGONQSASDCEFNT-UHFFFAOYSA-N
-rxn:4:221965:228862,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CCC#N)c5)cc4)CC3)nn2)CC1,CESMBBGODCZTQW-UHFFFAOYSA-N
-rxn:4:221967:223599,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)c1=O,LZKMSWZRFYFJFK-UHFFFAOYSA-N
-rxn:4:221975:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)c2)cc1,RCGLKXQYAFDANT-UHFFFAOYSA-N
-rxn:4:221975:222619,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)C7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,FVCRLVSGMHGTBP-UHFFFAOYSA-N
-rxn:4:221975:224015,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)N7CCOCC7)c(C)cc6F)cc5)no4)C3C2=O)cc1,CRFULVIEOIUYNU-UHFFFAOYSA-N
-rxn:4:221975:225281,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)nc(C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,PDYCYYOJOFVJLA-UHFFFAOYSA-N
-rxn:4:221975:225813,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(OC(C)C)c(F)c6C)cc5)no4)C3C2=O)cc1,GBJRVPBVRLHFCN-UHFFFAOYSA-N
-rxn:4:221975:225834,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCCC7)ncc6F)cc5)no4)C3C2=O)cc1,VNIZXEMNJRNWKG-UHFFFAOYSA-N
-rxn:4:221975:225859,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCCC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,FUBJAMFTBFUASN-UHFFFAOYSA-N
-rxn:4:221975:226000,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(C)=O)c([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,SZMYTSBDPNULQR-UHFFFAOYSA-N
-rxn:4:221976:223508,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(N7CCN(S(=O)(=O)c8ccc(Cl)cc8)CC7)nc6)c5)no4)C3C2=O)cc1,MTZNGXXBGANSKH-UHFFFAOYSA-N
-rxn:4:221977:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nccn4nc(C5CC5)cc34)C2)nc1,KKHMUXRZVLOQHZ-UHFFFAOYSA-N
-rxn:4:221977:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c2Cl)CC1,AYMKANSQDAITJM-UHFFFAOYSA-N
-rxn:4:221979:225751,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C)cc6OC)cc5)no4)C3C2=O)cc1,XPIVHWOZZWIJSQ-UHFFFAOYSA-N
-rxn:4:221980:225809,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)ccc5OC5CCOC5)c4)sc3n2)CC1,RJXVLOYDXFUDQB-UHFFFAOYSA-N
-rxn:4:221982:222818,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)cc1NC(C)=O,YYFVAAGPDOUPPS-UHFFFAOYSA-N
-rxn:4:221982:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,CEGIPBMOYPMWQI-UHFFFAOYSA-N
-rxn:4:221982:223018,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc7c(c6)NC(=O)C(C)(C)O7)cc5)no4)C3C2=O)cc1,ZRJDDFDDLCCCAE-UHFFFAOYSA-N
-rxn:4:221982:223170,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCCNC7)nc6)cc5)no4)C3C2=O)cc1,RSXNPOHOJLMGSQ-UHFFFAOYSA-N
-rxn:4:221982:224627,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CC(N(C)C)C7)cc6)cc5)no4)C3C2=O)cc1,OOLXOKZLBGSLFZ-UHFFFAOYSA-N
-rxn:4:221982:225814,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7(C(F)(F)F)CC7)c6)cc5)no4)C3C2=O)cc1,PYEKGHGVDGSVBK-UHFFFAOYSA-N
-rxn:4:221983:222662,Cc1cc(C)n2c(-c3ccc(C(=O)Nc4ccccc4)c(F)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,HBYCVLNUBDOYCE-UHFFFAOYSA-N
-rxn:4:221994:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,JMERZCPOZCYENG-UHFFFAOYSA-N
-rxn:4:222028:224008,CN(C)c1ccc(N2CCN(c3ncc(-c4cc(C(=O)N5CCOCC5)cc([N+](=O)[O-])c4)cc3C(F)(F)F)CC2)nn1,GCVSMSYOJIJTGR-UHFFFAOYSA-N
-rxn:4:222037:223753,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)cc2)cc1OCCCN1CCN(C)CC1,XTNKHMDBTZUBKQ-UHFFFAOYSA-N
-rxn:4:222054:223489,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)o4)CC3)nn2)CC1,RFEKDHAADKLDEX-UHFFFAOYSA-N
-rxn:4:222054:227779,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])cc(F)c5F)o4)CC3)nn2)CC1,CDMONQPBZNVOLT-UHFFFAOYSA-N
-rxn:4:222055:224819,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5)c4)CC3)nn2)n1,MJSNYCMIBNKYCE-UHFFFAOYSA-N
-rxn:4:222062:223139,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)n1,ZYRLNZDDFKALST-UHFFFAOYSA-N
-rxn:4:222062:223215,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)NC(=O)CC5)cc3)CC2)n1,RCRQNXQLCPIERK-UHFFFAOYSA-N
-rxn:4:222062:223658,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2)n1,ZUZLKSFRSOHBCH-UHFFFAOYSA-N
-rxn:4:222062:223662,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])cc3)CC2)n1,QGVFIZUWYJIPIO-UHFFFAOYSA-N
-rxn:4:222062:228214,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)cc4F)cc3)CC2)n1,ZJOOCAGDXZONMF-UHFFFAOYSA-N
-rxn:4:222062:228320,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccn1,VKTJLNVRMRDNOM-UHFFFAOYSA-N
-rxn:4:222062:229016,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccsc4C4CC4)cc3)CC2)n1,VIEYZWCGXZLHLI-UHFFFAOYSA-N
-rxn:4:222088:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)c2)cc1,RVKNBQRDBQTFPQ-UHFFFAOYSA-N
-rxn:4:222089:222774,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(F)c(CN6CCC(O)CC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GBHUBTDZKYJKED-UHFFFAOYSA-N
-rxn:4:222089:222944,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(S(=O)(=O)NC6CC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SXTSLJQBOBHICO-UHFFFAOYSA-N
-rxn:4:222102:223786,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN7CCN(C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,HELOMCUTFZLICL-UHFFFAOYSA-N
-rxn:4:222102:224493,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CO[Si](C)(C)C(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,UZLSHHGWIITAHQ-UHFFFAOYSA-N
-rxn:4:222108:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,DBSRZFLZLXPXTA-UHFFFAOYSA-N
-rxn:4:222108:224772,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,NBKABAHXSRYZNT-UHFFFAOYSA-N
-rxn:4:222108:224773,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)c(C)c6)cc5)no4)C3C2=O)cc1F,YRZMNFAFKPQRCG-UHFFFAOYSA-N
-rxn:4:222108:225269,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(=O)OC)c1,VFSCLEFHEIKCIM-UHFFFAOYSA-N
-rxn:4:222108:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,JDYITMXQDILCOC-UHFFFAOYSA-N
-rxn:4:222108:225784,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)nc6)cc5)no4)C3C2=O)cc1F,KVBZAOPQWUGVTL-UHFFFAOYSA-N
-rxn:4:222108:225939,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C(F)(F)F)c(C(C)C)c6)cc5)no4)C3C2=O)cc1F,ZGJKMXJAVKXSOS-UHFFFAOYSA-N
-rxn:4:222112:223671,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)nn2c1C,YWEJCCWQGSTAFD-UHFFFAOYSA-N
-rxn:4:222120:223075,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NS(=O)(=O)C7CC7)cc6)cc5)no4)C3C2=O)cc1C,UHWDCQOHOWEHTK-UHFFFAOYSA-N
-rxn:4:222120:223107,COc1ncc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc1NS(C)(=O)=O,TXLCAOLXCQVCIN-UHFFFAOYSA-N
-rxn:4:222120:224153,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCCC7)cc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1C,QJCDXQFSHPWQTO-UHFFFAOYSA-N
-rxn:4:222120:225145,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1C,LOZUTILOBVITLD-UHFFFAOYSA-N
-rxn:4:222120:225157,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)N7CCSCC7)c6)cc5)no4)C3C2=O)cc1C,NCRUIPAGEFZXBR-UHFFFAOYSA-N
-rxn:4:222138:222869,CC(C)CNC(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)ccc1F,AGQPBASODWLZTK-UHFFFAOYSA-N
-rxn:4:222162:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1,NERJACQHYJBRGL-UHFFFAOYSA-N
-rxn:4:222168:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c(F)c2)CC1,RNTJQUJFERSEDW-UHFFFAOYSA-N
-rxn:4:222211:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cnsn5)CC4)nc3)cc2[N+](=O)[O-])CC1,WEMXMNQDDGBIHS-UHFFFAOYSA-N
-rxn:4:222229:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)ccc2F)CC1,UKFOPDZWBHOJMG-UHFFFAOYSA-N
-rxn:4:222275:222583,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)o5)CC4)ncnc32)cc1,SAZBWKREGLESAF-UHFFFAOYSA-N
-rxn:4:222331:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,RTTAJYDTSFMFCX-UHFFFAOYSA-N
-rxn:4:222331:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,QIZVWRPPQOZKTK-UHFFFAOYSA-N
-rxn:4:222347:224377,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)c4)CC3)nn12,IJNSZUJTURJFSF-UHFFFAOYSA-N
-rxn:4:222380:222633,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(C(=O)NCCN7CCCC7)cc6)cn5)CC4C3)ncnc21,PHYABRRWORBXSA-UHFFFAOYSA-N
-rxn:4:222389:216211,COc1ccnc2c1c(-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)nn2C1CCCCO1,JNDOGEQDEGGLDC-UHFFFAOYSA-N
-rxn:4:222581:187669,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc12,FGTYTDBYNFGBJM-UHFFFAOYSA-N
-rxn:4:222583:186368,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OC,MGXVABJMOPAQHU-UHFFFAOYSA-N
-rxn:4:222601:184132,COC(=O)c1cc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)cc2c1ccn2CC(=O)OC(C)(C)C,GHZSRNZCZAMXOM-UHFFFAOYSA-N
-rxn:4:222602:194832,Cc1ccc2c(c1)N(C(=O)c1ccc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cc1)C(C)(C)c1ssc(=S)c1-2,JFKDNFLXQCWVKR-UHFFFAOYSA-N
-rxn:4:222602:215820,CC(C)Cc1cc(-c2ccc(OC3CCN(C)CC3)nn2)c(S(=O)(=O)NC(C)(C)C)s1,RPGXBPHYWWHAEK-UHFFFAOYSA-N
-rxn:4:222812:174522,CC(C)[Si](C#Cc1ccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1)(C(C)C)C(C)C,DTZUSLGBLATMDK-UHFFFAOYSA-N
-rxn:4:223080:215148,CC(C)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,QBOVFEUZWFNQGR-UHFFFAOYSA-N
-rxn:4:223093:185099,CCOC(=O)C1CCN(C(=O)c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)CC1,RLDREMOQBOONBB-UHFFFAOYSA-N
-rxn:4:223580:214254,COC(=O)c1ccc2c(c1)cc(-c1cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c1)n2C(=O)OC(C)(C)C,BCIPNTMMFGPFIN-UHFFFAOYSA-N
-rxn:4:223650:187968,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc21,XSSJHASVPWLFMR-UHFFFAOYSA-N
-rxn:4:223670:214716,CCN1CCN(c2cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2[N+](=O)[O-])CC1,PPJDYSVRJQYZCM-UHFFFAOYSA-N
-rxn:4:224130:183273,CN(C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)c1ccccc1,NYBQTYLBCHAJPK-UHFFFAOYSA-N
-rxn:5:176590:223064:225943,CCOC(=O)c1c(-c2ccc(C(=O)N3CCOCC3)s2)cccc1-c1ccc(C2CCNCC2)nc1F,JLPOXJFEWRPITO-UHFFFAOYSA-N
-rxn:5:176865:225871:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,QRQZBCJUHLJNLX-UHFFFAOYSA-N
-rxn:5:177181:222405:223061,CC(C)OC(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2cc(C3CCNCC3)ncc2F)c1,ZLJPXUKCMPKCDU-UHFFFAOYSA-N
-rxn:5:177181:223062:225632,CC(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cccc(N3CCN(C)CC3)c2)c1,QHNIBJFXARZVAN-UHFFFAOYSA-N
-rxn:5:177182:225639:225800,CCOC(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCSC3)cc2)c1-c1cccnc1N1CCC(C)CC1,LFGHPPUSWXKPAR-UHFFFAOYSA-N
-rxn:5:177182:225821:225942,CCOC(=O)c1cc(C)cc(-c2cnc(C(C)C)c(C(F)(F)F)c2)c1-c1ccc(C2CC2)c(C(F)(F)F)c1,MYRFQGAXWCXMHW-UHFFFAOYSA-N
-rxn:5:177185:223065:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,XXBGEMMGIOBUOR-UHFFFAOYSA-N
-rxn:5:177186:223065:222980,CCOC(=O)c1cc(-c2ccc(CN3CCNCC3)cc2)c(-c2ccc(N3CCNCC3)cc2F)cc1C,MCWPOWMOYIPCMJ-UHFFFAOYSA-N
-rxn:5:177189:222987:225804,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(C)c1-c1ccc(C(=O)N2CCC2)c(F)c1,JRYJBBYOVRSJCT-UHFFFAOYSA-N
-rxn:5:177190:222984:226662,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(CN3CCC(O)C3)cc2)c1,DYROPGFGZBGXFC-UHFFFAOYSA-N
-rxn:5:177190:222990:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,XEEIWZBZURFFRZ-UHFFFAOYSA-N
-rxn:5:177190:222993:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3O)c2)c1,HLHJZLBLICRYTP-UHFFFAOYSA-N
-rxn:5:177190:222994:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cccc(N3CCC(O)CC3)c2)c1,YLIZSXOEJLBSQF-UHFFFAOYSA-N
-rxn:5:177190:222994:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,YEKYHRHCVYHLIO-UHFFFAOYSA-N
-rxn:5:177190:223056:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,AEWDBZUSFCFRCQ-UHFFFAOYSA-N
-rxn:5:177190:223056:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,RFIONNVVWJFEBQ-UHFFFAOYSA-N
-rxn:5:177190:223144:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCC(O)C3)cc2)c1,FLPVLWQMJWWCAN-UHFFFAOYSA-N
-rxn:5:177190:223146:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccc(C3CNCCO3)c2)c1,LTTXGFBZSUVTFS-UHFFFAOYSA-N
-rxn:5:177190:223148:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2C2CNCCO2)c1,UELRQOMMYPWYHQ-UHFFFAOYSA-N
-rxn:5:177190:225394:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,ITCPYXZCHSOZOE-UHFFFAOYSA-N
-rxn:5:177190:225455:226654,CCS(=O)(=O)Cc1ccc(-c2csc(N3CCC(C)CC3)n2)c(-c2cc(N3CCCCC3)ccc2C)c1,QPWSIPWKDVRFRH-UHFFFAOYSA-N
-rxn:5:177190:225472:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCCCC3C)c2)c1,QXAMRRQYXJHYCQ-UHFFFAOYSA-N
-rxn:5:177190:225576:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,COEVHHLEDQNMTH-UHFFFAOYSA-N
-rxn:5:177190:225631:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCN(C)CC3)cc2)c1,DWTWHJCEQIMZTA-UHFFFAOYSA-N
-rxn:5:177190:225632:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCN(C)CC3)c2)c1,FUPMTJWFRCRVFF-UHFFFAOYSA-N
-rxn:5:177190:225633:225394,CCS(=O)(=O)Cc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,BMOIDIZHIDCXGQ-UHFFFAOYSA-N
-rxn:5:177190:225633:225465,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CCN(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,ARUWFVOREFDGSJ-UHFFFAOYSA-N
-rxn:5:177190:225634:225631,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,SIHBDIHIYCKWDJ-UHFFFAOYSA-N
-rxn:5:177190:225634:225632,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCN(C)CC3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,PAHZQBRZZCDGJD-UHFFFAOYSA-N
-rxn:5:177190:225636:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,GZQGRVKVSYXOBL-UHFFFAOYSA-N
-rxn:5:177190:225637:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccccc2N2CCN(C)CC2)c1,UEOXWYHOZYKADO-UHFFFAOYSA-N
-rxn:5:177190:225638:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,MOAAFHVACKMCIT-UHFFFAOYSA-N
-rxn:5:177190:225639:225466,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,HOCZBARJUGUMGN-UHFFFAOYSA-N
-rxn:5:177190:225805:223146,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CNCCO3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,YUUOJIBTVBJRMB-UHFFFAOYSA-N
-rxn:5:177190:225833:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccnc(N3CCCCC3)c2F)c1,SFGIINXCLWRJFC-UHFFFAOYSA-N
-rxn:5:177191:222998:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c2F)CCC1,SFADSSYMWUYBCI-UHFFFAOYSA-N
-rxn:5:177191:223001:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCCNC5)ccc4F)c3)c(F)c2)CCC1,HIGINGRBYDHKJY-UHFFFAOYSA-N
-rxn:5:177191:225602:223006,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(F)c(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c2)CCC1,AFSBZVYLXUZPLS-UHFFFAOYSA-N
-rxn:5:177373:227803:225798,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(OC3CCOCC3)nc2)ccc1OCC1OCCO1,XKEGGOPYPUTQPN-UHFFFAOYSA-N
-rxn:5:177729:223139:225438,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,YDECIUXKDBYYIM-UHFFFAOYSA-N
-rxn:5:177729:225439:223132,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cccc(N4CCNCC4)c3)c2)c1)N1CCCC1,PVXFTURARHXCOD-UHFFFAOYSA-N
-rxn:5:177729:225978:223294,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1csc(N2CCNCC2)n1,WDVZBPUFLYTJBC-UHFFFAOYSA-N
-rxn:5:177730:226649:223054,CC(c1ccc(-c2ccc(-c3cccnc3N3CCOCC3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,QRDWOQSCAQXZDX-UHFFFAOYSA-N
-rxn:5:177731:225438:223062,CC(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,DCDNQDCKRHWARQ-UHFFFAOYSA-N
-rxn:5:177732:225438:223131,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2)cc1)N1CCCC1,ZLKGXAMXFHLUOS-UHFFFAOYSA-N
-rxn:5:177733:223054:223138,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2)s1)N1CCC(O)C1,FZOUDMNYXDMNDC-UHFFFAOYSA-N
-rxn:5:177733:223294:225982,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2cnc(N3CCOCC3)cc2F)c1,GEJYQRDPIYMFSE-UHFFFAOYSA-N
-rxn:5:177734:225515:226794,Cc1cc(-c2cccc3c2OCC(C)(C)CO3)c(-c2cnc(N3CCSCC3)nc2)cc1C(=O)OC(C)C,YNOMIKWCQCSIMW-UHFFFAOYSA-N
-rxn:5:177734:226794:226661,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,NFFHIFOCHBAYMJ-UHFFFAOYSA-N
-rxn:5:177736:223132:223054,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCNCC3)c2)s1)N1CCC(O)C1,ZVEBCURZYUIOOL-UHFFFAOYSA-N
-rxn:5:177737:225439:223007,CC(c1cccc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,PJOIICKQPAPSQV-UHFFFAOYSA-N
-rxn:5:177737:225439:223139,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,JAXOBJZXZCWSAG-UHFFFAOYSA-N
-rxn:5:177739:223056:225849,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cnc(N2CCCCC2)cc1F,PLBZKBNDTKIWPP-UHFFFAOYSA-N
-rxn:5:177739:225655:225816,CC1CCN(c2cncc(-c3cccc(C(=O)OC(C)(C)C)c3-c3cc(C4CC4)ccc3C(F)(F)F)c2)CC1,CSYYOSPZGVGADR-UHFFFAOYSA-N
-rxn:5:177891:223135:227501,O=C(SC1CS(=O)(=O)CC1c1ccc(C=C[N+](=O)[O-])cc1)c1ccccc1-c1cccnc1C1CCCNC1,WLCVRPOUAVFYIR-UHFFFAOYSA-N
-rxn:5:177891:223138:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccnc(C2CCNCC2)c1,LEJFUMVNDGHFKP-UHFFFAOYSA-N
-rxn:5:177891:223140:227506,O=C(SC1CS(=O)(=O)CC1c1cccc(/C=C/[N+](=O)[O-])c1)c1ccccc1-c1ccnc(C2CCCNC2)c1,MRLXIPZKHXWWBF-SDNWHVSQSA-N
-rxn:5:177891:223146:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(C4CNCCO4)c3)s2)CC1,LFBGVTYDLKRWGT-UHFFFAOYSA-N
-rxn:5:177891:223146:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cccc(C2CNCCO2)c1,CVIIVQVPJQODAL-UHFFFAOYSA-N
-rxn:5:177891:223147:228628,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCC2)cs1)c1ccccc1-c1ccc(C2CNCCO2)cc1,SUURIBXQHFDYTN-UHFFFAOYSA-N
-rxn:5:177891:223286:227086,CS(=O)(=O)Nc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCC3)c2)c1,IEJGAQDLBNOZNU-UHFFFAOYSA-N
-rxn:5:177891:225607:227449,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)s1)N1CCCCC1,PKYFLPGUUZHBNR-UHFFFAOYSA-N
-rxn:5:177891:225784:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,VIFVVDWACIZKMF-UHFFFAOYSA-N
-rxn:5:177891:225799:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cncc(OC2CCOCC2)c1,MZTXEBGJVKPNIG-UHFFFAOYSA-N
-rxn:5:177891:225799:228631,O=C(SC1CS(=O)(=O)CC1c1ccsc1C1CCC1)c1ccccc1-c1cncc(OC2CCOCC2)c1,VUASVNNZTFATSI-UHFFFAOYSA-N
-rxn:5:177891:225831:226662,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(N3CCN(C)CC3)s2)cnc1N1CCOCC1,GPOJTJHIGBWFGK-UHFFFAOYSA-N
-rxn:5:177891:226335:227437,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCO3)c2)ccc1C1COC1,IYGOGIOHNIIBAW-UHFFFAOYSA-N
-rxn:5:177891:226586:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccnc(OC2CCOC2)c1,DAZFBEVYORADPE-UHFFFAOYSA-N
-rxn:5:177891:226643:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(N4CCOCC4)nc3)s2)CC1,GQAZAFCKNWZBKF-UHFFFAOYSA-N
-rxn:5:177891:226645:228629,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCC2)s1)c1ccccc1-c1ccnc(N2CCOCC2)c1,QPANYUITFIEYNN-UHFFFAOYSA-N
-rxn:5:177891:226649:228695,CN(C)Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)cs1,JAKKINRYICGMDV-UHFFFAOYSA-N
-rxn:5:177891:227086:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccnc(C2CCCC2)c1,UOAZGIQHFABUBI-UHFFFAOYSA-N
-rxn:5:177891:227404:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1cc(N2CCCCC2)cs1,OTXUDSXGQPDERS-UHFFFAOYSA-N
-rxn:5:177891:227449:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1ccc(C2CCOCC2)s1,UEQVUCNTRDRDBQ-UHFFFAOYSA-N
-rxn:5:177891:227657:228349,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCOC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,LKLZJJJQSSCBIE-UHFFFAOYSA-N
-rxn:5:177891:228681:226765,COC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2CC2CC2)c(F)c1F,UXWIJCBASMZSLN-UHFFFAOYSA-N
-rxn:5:177891:228705:225803,CN(C)c1ncccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1,MZGYWZCDWHZJJB-UHFFFAOYSA-N
-rxn:5:177891:228878:225884,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COCCO2)c(F)c1)c1ccccc1-c1cnn(C2COC2)c1,NJXPRVSBSPGSBK-UHFFFAOYSA-N
-rxn:5:178118:226464:226191,COc1ccc2c(c1-c1ccc(-c3cc(C4CCCC4)ccc3F)cc1OCC1CCCCO1)OCCO2,FONVRIZLCOPSIK-UHFFFAOYSA-N
-rxn:5:178119:227052:225871,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(SC(C)(C)C)cc2)c1-c1cccc(N2C(=O)C=CC2=O)c1,SVPIGAHQVJFUJL-UHFFFAOYSA-N
-rxn:5:178120:225588:227331,CC(C)Oc1cccc(F)c1-c1c(OCC2CCOCC2)cccc1-c1ccccc1CN1CCSCC1,TYLSKGNNVHYWTK-UHFFFAOYSA-N
-rxn:5:178121:227449:227768,CN(C)S(=O)(=O)n1cccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(C2CCOCC2)s1,OXHSDZGQXYUPJX-UHFFFAOYSA-N
-rxn:5:178122:223082:223058,CNS(=O)(=O)c1c(C)cc(-c2ccc(COC3CCCCO3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cc1C,PHOHJGRJRNAADF-UHFFFAOYSA-N
-rxn:5:178122:226588:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(OC4CCC4)ncc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,MDOXBFQYJJGMSZ-UHFFFAOYSA-N
-rxn:5:178226:226440:226464,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1cc(F)nc(C3CCCC3)c1)OCCO2,XPMANTSQZJLLET-UHFFFAOYSA-N
-rxn:5:178295:223113:223111,COC(=O)C1(c2cc(-c3cccc4[nH]nc(C(C)C)c34)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,YTOIAFYXLUOBIR-UHFFFAOYSA-N
-rxn:5:178295:223138:227976,COC(=O)C1(c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccnc(C3CCNCC3)c2)CCC(=O)CC1,OEHDIDFYLXISEG-UHFFFAOYSA-N
-rxn:5:178295:223215:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2ccc3c(c2)NC(=O)CC3)CCC(=O)CC1,YHRIOWLNDFXHAP-UHFFFAOYSA-N
-rxn:5:178295:223270:227830,COC(=O)C1(c2cc(-c3ccc(C4(C)CC4)cc3)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,XJIDOWMDGBWISZ-UHFFFAOYSA-N
-rxn:5:178295:223285:227860,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN4C)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,RQVMWMRYCCEUCJ-UHFFFAOYSA-N
-rxn:5:178295:223285:228562,CCC(C)c1csc(-c2ccc(-c3ccccc3NS(C)(=O)=O)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZDCIJGXHMMNCRB-UHFFFAOYSA-N
-rxn:5:178295:223309:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2ccc(NC(C)C)cc2)CCC(=O)CC1,USVWCLMEODLWNU-UHFFFAOYSA-N
-rxn:5:178295:223358:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,MJKOEVPJLOURFD-UHFFFAOYSA-N
-rxn:5:178295:223401:226582,CNc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,AJACOGOMZIWMCP-UHFFFAOYSA-N
-rxn:5:178295:223421:227065,CNC(C)c1ccc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,RQTFTYLFQDHXLT-UHFFFAOYSA-N
-rxn:5:178295:225436:228512,CC#Cc1cccc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FWBURGPFLUQNQB-UHFFFAOYSA-N
-rxn:5:178295:225451:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GIARPKJUJMTZQX-UHFFFAOYSA-N
-rxn:5:178295:225454:228512,CC#Cc1cccc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZRJVNWKLUKBGND-UHFFFAOYSA-N
-rxn:5:178295:226059:228685,COCc1cncc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UATFZVGDTHUXPA-UHFFFAOYSA-N
-rxn:5:178295:226059:228687,CCSc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PKGWGKFOSFBIGL-UHFFFAOYSA-N
-rxn:5:178295:226059:229146,COCn1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,KQONVKCRFMQLDE-UHFFFAOYSA-N
-rxn:5:178295:226068:228621,COC(=O)C1(c2cc(-c3ccc(C)cc3SC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,DCCMMJINBLVZMK-UHFFFAOYSA-N
-rxn:5:178295:226068:228772,CCc1c(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccnc1F,KDVXDLCRZMJGGY-UHFFFAOYSA-N
-rxn:5:178295:226070:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc4c(ccn4C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,QCDXGYOWLSHYOT-UHFFFAOYSA-N
-rxn:5:178295:226070:226197,COC(=O)C1(c2cc(-c3ccc(C4CCCOC4)cc3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,VANIJGOLNZMESH-UHFFFAOYSA-N
-rxn:5:178295:226140:228777,COC(=O)C1(c2cc(-c3ccc(OC)cc3F)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,XDWIXEJCNGLLKQ-UHFFFAOYSA-N
-rxn:5:178295:226146:229015,COC(=O)C1(c2cc(-c3ccsc3C(C)C)ccc2-c2ccc(SC3CCCC3)cc2)CCC(=O)CC1,DJWPGYPVKYOFAC-UHFFFAOYSA-N
-rxn:5:178295:226154:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,QAKBRSUWTGEDKC-UHFFFAOYSA-N
-rxn:5:178295:226190:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C3CCCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,LSMKGRJTPRQITJ-UHFFFAOYSA-N
-rxn:5:178295:226322:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,GRMXUILPEMQBOV-UHFFFAOYSA-N
-rxn:5:178295:226322:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,PFMWNJNRKCNVMR-UHFFFAOYSA-N
-rxn:5:178295:226322:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,XCQJACQLYSICQR-UHFFFAOYSA-N
-rxn:5:178295:226322:228176,COCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,HJMCRCOYZORCFX-UHFFFAOYSA-N
-rxn:5:178295:226334:225418,CCOc1ccc2cc(-c3ccc(-c4cc(C)cc(C(=O)N(C)C)c4)c(C4(C(=O)OC)CCC(=O)CC4)c3)ccc2c1,BLHWSPFQLHMGIJ-UHFFFAOYSA-N
-rxn:5:178295:226334:228619,CCc1cc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,TXJVBAJVNWFCON-UHFFFAOYSA-N
-rxn:5:178295:226342:228767,CCc1cc(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,GKHCNVCIMGSLBF-UHFFFAOYSA-N
-rxn:5:178295:226449:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccccc2C2(C)OCCO2)CCC(=O)CC1,XCZQRDUAKWXOEQ-UHFFFAOYSA-N
-rxn:5:178295:226582:228811,COC(=O)C1(c2cc(-c3cc(SC)ccc3F)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,MFWLBBNIWXWWQH-UHFFFAOYSA-N
-rxn:5:178295:226610:225886,CCc1cc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C(F)(F)F)c1,QASWUEYFKWYISM-UHFFFAOYSA-N
-rxn:5:178295:226907:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,OCBBQDXXXIXCQL-UHFFFAOYSA-N
-rxn:5:178295:226910:223013,CCC(C)(C)c1ccc(-c2ccc(-c3cc4ccc(C(=O)OC)cc4[nH]3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,NGPPKEQUJFPZQL-UHFFFAOYSA-N
-rxn:5:178295:226910:227808,CCC(C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,CPOHCDMUOZRZEK-UHFFFAOYSA-N
-rxn:5:178295:226910:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)(C)CC)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GITOMRFNNDRWPD-UHFFFAOYSA-N
-rxn:5:178295:226910:227943,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C)ccc3N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,IAKYMPLHRQIORI-UHFFFAOYSA-N
-rxn:5:178295:226912:227704,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3OC)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,STMCHNKLUBQILQ-UHFFFAOYSA-N
-rxn:5:178295:226912:227858,COC(=O)C1(c2cc(-c3cccc4c3CN(C)C4)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,YCARUIANMIVFOG-UHFFFAOYSA-N
-rxn:5:178295:226913:228267,CCc1cc(-c2ccc(-c3c(F)ccc(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,FPDWDELCMRLLPF-UHFFFAOYSA-N
-rxn:5:178295:226914:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,DYEMACMWSPLPMQ-UHFFFAOYSA-N
-rxn:5:178295:226914:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,MNPPXMALOXSNDV-UHFFFAOYSA-N
-rxn:5:178295:226914:228388,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,WTQQCRFXNJJFOY-UHFFFAOYSA-N
-rxn:5:178295:226918:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C3=CCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KJNPKGCRXFAUBL-UHFFFAOYSA-N
-rxn:5:178295:226924:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C)cc(C3CC3)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,XLESLECSFWULCA-UHFFFAOYSA-N
-rxn:5:178295:226925:227831,CCc1c(C)cc(-c2ccc(-c3cc(C4CC4)cc(C)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,XVWWDWFGKIKZNZ-UHFFFAOYSA-N
-rxn:5:178295:226926:228332,COC(=O)C1(c2cc(-c3cnc(OC)cc3SC)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,WKLFZZXHQOEXCV-UHFFFAOYSA-N
-rxn:5:178295:226946:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc3c(c2)CCN(C)C3)CCC(=O)CC1,UFJOOYPPQVQFRV-UHFFFAOYSA-N
-rxn:5:178295:226959:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,NFMKSSLSUYAUKR-UHFFFAOYSA-N
-rxn:5:178295:226969:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,UCKKXMYXSNXVER-UHFFFAOYSA-N
-rxn:5:178295:226974:227941,COCc1cc(C)cc(-c2ccc(-c3ccc4c(c3)COC4(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BPWKOKNRLPVZQW-UHFFFAOYSA-N
-rxn:5:178295:227024:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(C)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HYGOFGLDJYZUIU-UHFFFAOYSA-N
-rxn:5:178295:227038:228146,CCc1cncc(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,NEGGIFYUSSWOLF-UHFFFAOYSA-N
-rxn:5:178295:227042:227816,CCCc1ccc(-c2ccc(-c3c(C)cc(OCC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,QDFXGKGUHKTSQW-UHFFFAOYSA-N
-rxn:5:178295:227048:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,SMBIPDWFSWPHNK-UHFFFAOYSA-N
-rxn:5:178295:227048:228231,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3F)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,RSXYSCABBXRUTQ-UHFFFAOYSA-N
-rxn:5:178295:227051:226580,CCC(=O)c1ccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,QLYHKEDLLMZBNZ-UHFFFAOYSA-N
-rxn:5:178295:227052:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,HGHJLHRNZJXOMC-UHFFFAOYSA-N
-rxn:5:178295:227053:227933,CCc1ccc(OC)cc1-c1ccc(-c2cccc(OC(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YKTLHGFIFGDJHM-UHFFFAOYSA-N
-rxn:5:178295:227061:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cc(OC(C)C)ccc2C)CCC(=O)CC1,LTPWQZDMXOYLFK-UHFFFAOYSA-N
-rxn:5:178295:227061:228567,CCC(C)c1sccc1-c1ccc(-c2cc(OC(C)C)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,KHPMZVPOHCWYNC-UHFFFAOYSA-N
-rxn:5:178295:227065:225512,COC(=O)C1(c2cc(-c3cccc4cc([Si](C)(C)C)sc34)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,RUZVENLJOHRMOX-UHFFFAOYSA-N
-rxn:5:178295:227068:228146,CCc1cncc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,LBMHTGCUABYNGF-UHFFFAOYSA-N
-rxn:5:178295:227071:226916,COCc1cc(C)c(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,OYCHXWTVDCRQKE-UHFFFAOYSA-N
-rxn:5:178295:227071:227940,CCc1cc(SC)cc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NKJRFKWKAVNVEG-UHFFFAOYSA-N
-rxn:5:178295:227072:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(C3CC3)cc2OC)CCC(=O)CC1,JLZYJIHDUZXIBD-UHFFFAOYSA-N
-rxn:5:178295:227073:227312,CCC(C)c1ccc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,YRRVPMACOQVNID-UHFFFAOYSA-N
-rxn:5:178295:227075:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,BHIIEDUHSWXNFR-UHFFFAOYSA-N
-rxn:5:178295:227075:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,FMOOGNKXELJLOJ-UHFFFAOYSA-N
-rxn:5:178295:227077:223358,CCC(C)c1ccc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,RSXXKIFTPNSBFA-UHFFFAOYSA-N
-rxn:5:178295:227077:227325,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,TYFXQYJSYIUZKJ-UHFFFAOYSA-N
-rxn:5:178295:227077:228146,CCc1cncc(-c2ccc(-c3ccc(C(C)CC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,VKOQRWBJLDUGEN-UHFFFAOYSA-N
-rxn:5:178295:227077:228415,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,DOSMMGSGZUVIGE-UHFFFAOYSA-N
-rxn:5:178295:227079:227313,CCC(C)c1cc(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,RKRSMXSFWAZMIQ-UHFFFAOYSA-N
-rxn:5:178295:227088:227812,COC(=O)C1(c2cc(-c3cccc(CC(C)C)c3)ccc2-c2cc(C)nc(C(C)(C)C)c2)CCC(=O)CC1,QFKKAPHWBDPWDV-UHFFFAOYSA-N
-rxn:5:178295:227106:227935,CCc1cc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,SLCVPVPSHHJSAJ-UHFFFAOYSA-N
-rxn:5:178295:227107:228146,CCc1cncc(-c2ccc(-c3cc(C)cc(C4CC4)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,GSVMKISHZNKKIX-UHFFFAOYSA-N
-rxn:5:178295:227113:227932,COCc1ccc(C)c(-c2ccc(-c3cc(C4CC4)c(F)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YWEIMYTTZIAORK-UHFFFAOYSA-N
-rxn:5:178295:227183:228713,COC(=O)C1(c2cc(-c3ccn(C(C)(C)C)n3)ccc2-c2ccc3c(c2)CN(C)C3=O)CCC(=O)CC1,SUOCJVCYBBOSSX-UHFFFAOYSA-N
-rxn:5:178295:227288:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccccc2C(=O)N(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,NNDGDQKJAPWMEU-UHFFFAOYSA-N
-rxn:5:178295:227288:227942,CCc1ccc(-c2ccc(-c3ccccc3C(=O)N(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,RHIHRYHFGBVRJN-UHFFFAOYSA-N
-rxn:5:178295:227293:227818,CCC(C)c1cccc(-c2ccc(-c3cncc(OC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PRKHEJRUFCUCHU-UHFFFAOYSA-N
-rxn:5:178295:227311:228247,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(C)=O)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,NYROUUOYJIWJSZ-UHFFFAOYSA-N
-rxn:5:178295:227312:226919,CCC(C)c1ccc(-c2ccc(-c3cccc(C4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,YOVHVJPJHGERSX-UHFFFAOYSA-N
-rxn:5:178295:227329:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,HWUKNFQVSUJZEM-UHFFFAOYSA-N
-rxn:5:178295:227329:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,KREWTNOYCZXKDJ-UHFFFAOYSA-N
-rxn:5:178295:227336:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(F)cc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,UJHZTCSZTSDIQR-UHFFFAOYSA-N
-rxn:5:178295:227339:227898,COC(=O)c1cc(C)ccc1-c1ccc(-c2cncc(CC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,ZABJTOIPYAKTBD-UHFFFAOYSA-N
-rxn:5:178295:227342:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XDWWNGVGMMXETC-UHFFFAOYSA-N
-rxn:5:178295:227415:227826,COC(=O)C1(c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,UOPYFOCWFGGMPP-UHFFFAOYSA-N
-rxn:5:178295:227509:228567,CCC(C)c1sccc1-c1ccc(-c2cnc(F)c(OC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,UNEJMVZWFIKCIX-UHFFFAOYSA-N
-rxn:5:178295:227560:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WLAFWUVDTBBFOQ-UHFFFAOYSA-N
-rxn:5:178295:227568:227914,COC(=O)C1(c2cc(-c3ccccc3OC(C)C)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,JBTAYQWGBHJWJL-UHFFFAOYSA-N
-rxn:5:178295:227810:226067,CCC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DUHBTYMARAQPSC-UHFFFAOYSA-N
-rxn:5:178295:227810:227068,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,CZRPXOFBMPCWMU-UHFFFAOYSA-N
-rxn:5:178295:227810:227540,CCC(C)c1ccc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,MAPHGDWWPLHITI-UHFFFAOYSA-N
-rxn:5:178295:227811:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,DYZWBVLEADDDGM-UHFFFAOYSA-N
-rxn:5:178295:227813:227075,CCc1cccc(CC)c1-c1ccc(-c2cc(OC)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,PGECIRCCWNMVMM-UHFFFAOYSA-N
-rxn:5:178295:227816:226582,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,SDUWQZHKXQWOIV-UHFFFAOYSA-N
-rxn:5:178295:227816:227591,CCCc1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,CHARPRVZYRJVAE-UHFFFAOYSA-N
-rxn:5:178295:227819:227067,CCc1cc(CC)cc(-c2ccc(-c3ccc(OC)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SHUXJELMXRKYLP-UHFFFAOYSA-N
-rxn:5:178295:227837:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C)cc(C3CC3)c2)CCC(=O)CC1,ZFHNEIZECXKABO-UHFFFAOYSA-N
-rxn:5:178295:228005:227329,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3OC)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,HWIQSWYHVRFFCW-UHFFFAOYSA-N
-rxn:5:178295:228018:227071,COCc1cc(C)c(-c2ccc(-c3cc(F)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,QSVSBDNUDZOCOE-UHFFFAOYSA-N
-rxn:5:178295:228113:227339,CCc1nc(OC)ccc1-c1ccc(-c2ccc(C)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,KOSLTBONHSQNGH-UHFFFAOYSA-N
-rxn:5:178295:228156:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,HNZGUFYEDOXCCB-UHFFFAOYSA-N
-rxn:5:178295:228156:227534,CCOc1cc(F)c(-c2ccc(-c3cc(OC)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,GVHNAUKATNRZJP-UHFFFAOYSA-N
-rxn:5:178295:228178:226907,COCc1ccc(F)c(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JBESDHMYXAXYGF-UHFFFAOYSA-N
-rxn:5:178295:228181:227078,COCc1cc(F)ccc1-c1ccc(-c2cc(OC)ccc2C2CC2)cc1C1(C(=O)OC)CCC(=O)CC1,SISLDMDVEUEVAX-UHFFFAOYSA-N
-rxn:5:178295:228206:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(F)cc(N(C)C)c2)CCC(=O)CC1,SQURJZJWDBFCSC-UHFFFAOYSA-N
-rxn:5:178295:228253:227064,COC(=O)C1(c2cc(-c3ccccc3OC(C)(C)C)ccc2-c2ccc(P(C)(C)=O)cc2)CCC(=O)CC1,RMDFZOSFCASDML-UHFFFAOYSA-N
-rxn:5:178295:228267:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2c(F)ccc(C)c2OC)CCC(=O)CC1,BPULSSWSIYBLIO-UHFFFAOYSA-N
-rxn:5:178295:228274:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(SC)c(C)cc2F)CCC(=O)CC1,MSHDRQPGJGXDDN-UHFFFAOYSA-N
-rxn:5:178295:228279:226926,CCc1cc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,OZKXSVPLWQMBBS-UHFFFAOYSA-N
-rxn:5:178295:228283:227298,COC(=O)C1(c2cc(-c3cc(F)ccc3CN(C)C)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,TZHHOAYMYIPEEX-UHFFFAOYSA-N
-rxn:5:178295:228419:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(F)c(SC)cc2F)CCC(=O)CC1,JKPBNOPZIGEKJY-UHFFFAOYSA-N
-rxn:5:178295:228437:223284,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2-c2ccc(C(F)F)cc2F)CCC(=O)CC1,LHTRPZPLKLZGGH-UHFFFAOYSA-N
-rxn:5:178295:228516:225454,CCc1cc(C)cc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SNPDZMXECSEKSM-UHFFFAOYSA-N
-rxn:5:178295:228562:225438,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CRDKIFVIKUVQQM-UHFFFAOYSA-N
-rxn:5:178295:228564:227038,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)s1,GMDKSHFRSROSRO-UHFFFAOYSA-N
-rxn:5:178295:228564:227059,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)c(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,MWXJDXQQJJXBQD-UHFFFAOYSA-N
-rxn:5:178295:228567:228195,CCC(C)c1sccc1-c1ccc(-c2cn(C(C)(C)C)nc2C)cc1C1(C(=O)OC)CCC(=O)CC1,DDYYGTJMXQSMTI-UHFFFAOYSA-N
-rxn:5:178295:228591:226061,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C4CC4)c3)ccc2-c2ccncc2C(C)C)CCC(=O)CC1,TUQOWGUYKQNJTK-UHFFFAOYSA-N
-rxn:5:178295:228595:226582,CCc1ncc(C)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,LAMNZFOCTXJVBU-UHFFFAOYSA-N
-rxn:5:178295:228641:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2cc(C)c(C)cc2F)CCC(=O)CC1,IHBDDMAALRHYNS-UHFFFAOYSA-N
-rxn:5:178295:228685:226771,COCc1cncc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LGJRMSQGAXLDCR-UHFFFAOYSA-N
-rxn:5:178295:228713:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccn(C(C)(C)C)n2)CCC(=O)CC1,XLQBCGRAEWDKJJ-UHFFFAOYSA-N
-rxn:5:178295:228762:226154,CCn1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1=O,CSYWFWMZZQJUGO-UHFFFAOYSA-N
-rxn:5:178295:228767:226334,CCc1cc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,PLIZLHYAQJJPOJ-UHFFFAOYSA-N
-rxn:5:178295:228772:226147,CCc1c(-c2ccc(-c3c(C)cc(OC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccnc1F,DHXHXRYUGUNMBK-UHFFFAOYSA-N
-rxn:5:178295:228825:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3cc(F)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,XJENWIARILRLOV-UHFFFAOYSA-N
-rxn:5:178295:228897:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc(F)cnc2OC)CCC(=O)CC1,YPJMDAPIRYWRIA-UHFFFAOYSA-N
-rxn:5:178295:229203:225498,CCc1ccsc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,QSWTVVBVZMWHBC-UHFFFAOYSA-N
-rxn:5:178314:225805:228064,CC(c1ccc(-c2ccc(-c3cnc4c(c3)C(=O)CC4)c(O[Si](C)(C)C(C)(C)C)c2)s1)N1CCOCC1,YPWZNZNWZJRJCB-UHFFFAOYSA-N
-rxn:5:178315:226139:223064,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCNCC3)nc2F)cc(-c2cc(C3CC3)cnc2C2CC2)c1,BRPUIBNZINTIEJ-UHFFFAOYSA-N
-rxn:5:178353:223065:223138,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccnc(C2CCNCC2)c1,NJMACJUTJNXKSP-UHFFFAOYSA-N
-rxn:5:178353:223065:226177,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccnc(C2CCCCC2)c1,BVSRNRMWUGYCFK-UHFFFAOYSA-N
-rxn:5:178353:223065:226663,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCSCC2)nc1,RCWCVRGXIPVEJE-UHFFFAOYSA-N
-rxn:5:178353:226679:225633,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCC4)cc3F)cc2C)ccc1-c1ccc(N2CCCCCC2)nc1,XBXFWEGCZRUGQH-UHFFFAOYSA-N
-rxn:5:178466:223007:225982,CC(C)OC(=O)c1sc2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1cnc(N2CCOCC2)cc1F,OGZGUPWNKNZSHH-UHFFFAOYSA-N
-rxn:5:178466:223062:225982,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,QBZOHZKIXUMCOJ-UHFFFAOYSA-N
-rxn:5:178466:225633:225976,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,DIXVFSSUZBYLOR-UHFFFAOYSA-N
-rxn:5:178466:225976:225978,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCOCC2)nc1F,ARIVYXVXNVFAKN-UHFFFAOYSA-N
-rxn:5:178466:225980:226662,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,GFNZAJPUUXXGHJ-UHFFFAOYSA-N
-rxn:5:178467:223016:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,ABVIEZDAJABBSK-UHFFFAOYSA-N
-rxn:5:178467:223062:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,MRAPXWHPYBIFEG-UHFFFAOYSA-N
-rxn:5:178467:223063:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,LOJWJCIIIQDBGX-UHFFFAOYSA-N
-rxn:5:178467:223064:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,GTVWTLDXNCRZBL-UHFFFAOYSA-N
-rxn:5:178467:223131:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,TWHIFIWRPCUBTH-UHFFFAOYSA-N
-rxn:5:178467:223140:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,FYRQAOJRSWBIMR-UHFFFAOYSA-N
-rxn:5:178467:223142:227531,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C(=O)OC)c3)cc(-c3ccc(C4CCCNC4)nc3)c2OC1,NRGCRNFYXRMYHG-UHFFFAOYSA-N
-rxn:5:178467:223281:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,KAPNXGRPLVVLCI-UHFFFAOYSA-N
-rxn:5:178467:223294:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,YXKGMQSTORSRFQ-UHFFFAOYSA-N
-rxn:5:178467:223435:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccc(C(=O)OC)[nH]3)c2OC1,WDFSNLFIDCEXNU-UHFFFAOYSA-N
-rxn:5:178467:225499:227361,CCOC(=O)C1=Cc2cc(-c3cc(OC)c(C)cc3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,NXJOPHCLXVNVOP-UHFFFAOYSA-N
-rxn:5:178467:225601:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,CKGPTILBOZHXDJ-UHFFFAOYSA-N
-rxn:5:178467:225655:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,OJOGKLURQKYUCZ-UHFFFAOYSA-N
-rxn:5:178467:225794:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,HOMYMMQFDBLESR-UHFFFAOYSA-N
-rxn:5:178467:225976:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NPTYOVDOSBDTJI-UHFFFAOYSA-N
-rxn:5:178467:225976:228210,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)s3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,SICONSLWQOEJES-UHFFFAOYSA-N
-rxn:5:178467:225980:227971,CCOC(=O)C1=Cc2cc(-c3cnccc3C(C)(C)C)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,QJYPXHXGBSGDTI-UHFFFAOYSA-N
-rxn:5:178467:226148:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,PAHGDAARDCNSIO-UHFFFAOYSA-N
-rxn:5:178467:226447:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCOCC4)c3)c2OC1,NBASEVXEVQPXFE-UHFFFAOYSA-N
-rxn:5:178467:226794:225632,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCN(C)CC4)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,AROGDTZMZSBPPA-UHFFFAOYSA-N
-rxn:5:178467:226794:226898,CCOC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,AUFMULPQEXKZRX-UHFFFAOYSA-N
-rxn:5:178467:227024:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cccc(C(C)N(C)C)c3)c2OC1,CNGUKNDHKBLOST-UHFFFAOYSA-N
-rxn:5:178467:227543:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(F)c(C(=O)OC)c3)c2OC1,BPPHOIYOXLCVKS-UHFFFAOYSA-N
-rxn:5:178467:227968:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnccc3C3CCC3)c2OC1,RGKJGHGYSYHODO-UHFFFAOYSA-N
-rxn:5:178467:228140:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(C(C)N(C)C)s3)c2OC1,JCCFMZMFIXLOOS-UHFFFAOYSA-N
-rxn:5:178467:228320:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,MJLWTRVGDBFTRG-UHFFFAOYSA-N
-rxn:5:178467:228361:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cc(N(C)C)ncc3F)c2OC1,GXLBIRNJYQSNTR-UHFFFAOYSA-N
-rxn:5:178467:228457:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,QOYSMQPACVVCRQ-UHFFFAOYSA-N
-rxn:5:179417:225831:223054,CCS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,RECKQZNRDHWLFY-UHFFFAOYSA-N
-rxn:5:179418:225805:225452,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3C=CCCC3)cc2)s1)N1CCOCC1,YTUOBBCIJQNIJX-UHFFFAOYSA-N
-rxn:5:179629:225805:223146,COc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1cccc(C2CNCCO2)c1,LCDQJHMWYHVNJN-UHFFFAOYSA-N
-rxn:5:180021:225448:227803,COc1c(-c2cc(C)ccc2OC2CCCC2)cc(C2OCCO2)cc1-c1ccnn1S(=O)(=O)N(C)C,RNVCZNICHBOKPX-UHFFFAOYSA-N
-rxn:5:180022:225986:226662,COc1c(-c2ccc(N3CCN(C)CC3)s2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,NDSCZCLBHAPTDI-UHFFFAOYSA-N
-rxn:5:180022:225986:227404,COc1c(-c2cc(N3CCCCC3)cs2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,HETLHSDPGBKOKG-UHFFFAOYSA-N
-rxn:5:180022:226183:223007,COc1c(-c2cc(F)cc(C3CCNCC3)c2)ccc(-c2cnccc2C2CCCCC2)c1C1OCCO1,DIRQXDNACYSHNB-UHFFFAOYSA-N
-rxn:5:180092:223065:225834,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cc(N3CCCCC3)ncc2F)c1,KCVINCABIYTLJM-UHFFFAOYSA-N
-rxn:5:180297:225986:227657,COc1cc(-c2ccccc2N2CCCS2(=O)=O)c(C2(C)OCCO2)cc1-c1ccc(N2CCOCC2)s1,RCYRLWLWPGQMTC-UHFFFAOYSA-N
-rxn:5:180377:225831:225871,Cc1cc(-c2c(C(C)C)cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc2C(C)C)cnc1N1CCOCC1,JJOFTJFILCIFSU-UHFFFAOYSA-N
-rxn:5:180402:225988:226572,O=C(c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1-c1cnc(OC2CCCC2)nc1)C1CCCCC1,XQWLVIPSLXDYFB-UHFFFAOYSA-N
-rxn:5:180422:225654:226598,CC1CCCN(c2ccc(-c3ccc(CC4CCCCC4)cc3-c3cc(OC(C)C)c(F)cc3F)cn2)C1,PWDVHRPWHOJTQF-UHFFFAOYSA-N
-rxn:5:180602:226891:225803,COC(=O)C1Cc2cc(-c3ccnc(OC4CCOCC4)c3)cc(-c3cc(C(F)(F)F)cc(F)c3F)c2O1,FFYOZRYKSLLGIT-UHFFFAOYSA-N
-rxn:5:180662:223000:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VMWGJEPVYYXKLL-PKNBQFBNSA-N
-rxn:5:180662:223062:227691,COC(=O)C1=Cc2cc(-c3ccc([N+](=O)[O-])c(OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,PGHYZRHYYRSZBD-UHFFFAOYSA-N
-rxn:5:180662:223138:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,QNUZASUTYKCLCN-UHFFFAOYSA-N
-rxn:5:180662:225834:225834,COC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,XUGACENSOSPPJG-UHFFFAOYSA-N
-rxn:5:180662:225978:226744,CCc1cc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4F)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,UNYMJBYHPSPETR-UHFFFAOYSA-N
-rxn:5:181627:222981:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2OCCO2)ccc1-c1ccnc(NC2CCCCC2)c1,GFSSOOMEKANNAE-UHFFFAOYSA-N
-rxn:5:181628:225832:222996,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,OTCKGMPPGOQRLR-UHFFFAOYSA-N
-rxn:5:181904:222986:222981,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccnc(NC3CCCCC3)c2)cc(C2CCCNC2)n1,XDXMGNQGKWRLOF-UHFFFAOYSA-N
-rxn:5:181907:222996:222986,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2cc(C)nc(C3CCCNC3)c2)c(C2OCCO2)c1,FFCRRMGFFBMGBD-UHFFFAOYSA-N
-rxn:5:181908:225674:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(C3CCCCC3)cc2F)cc(C2CCNCC2)n1,XNQCYJXVLWVQRU-UHFFFAOYSA-N
-rxn:5:182010:225816:226426,CC1CCN(c2ccc(-c3ccc(C4CCOCC4)c(-c4cc(C5CC5)ccc4C(F)(F)F)c3)s2)CC1,IEJXMJGCKAWWLJ-UHFFFAOYSA-N
-rxn:5:183189:222957:225805,Cc1cc(-c2cc(-c3ccc(C(C)N4CCOCC4)s3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,ADBKGQYCZNEWHW-UHFFFAOYSA-N
-rxn:5:188930:223138:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1ccc(C2CCNCC2)nc1,AIIXHCHCHYMIFR-UHFFFAOYSA-N
-rxn:5:188930:225938:226772,COC(=O)c1cc(F)c(-c2cc(-c3cc(C(F)(F)F)ncc3C3CC3)c(S(N)(=O)=O)cc2C(=O)OC)c(F)c1,VMLVYZADJKBVPV-UHFFFAOYSA-N
-rxn:5:188930:227437:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCO3)c2)cc1-c1cccnc1N1CCC(C)CC1,VAMZMVQTRYDQQY-UHFFFAOYSA-N
-rxn:5:188932:223138:226321,COC(=O)c1cc(-c2ccc(SC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,GCWVBJKEACPVHK-UHFFFAOYSA-N
-rxn:5:189207:223307:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc3c(c2)CCNC3)cc1C(=O)ON1C(=O)CCC1=O,SVZOGLHJMKQXBH-UHFFFAOYSA-N
-rxn:5:189207:225881:226200,CC(C)n1cnc2cc(-c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3C(=O)ON3C(=O)CCC3=O)ccc21,ZTJFQWDDISFQIM-UHFFFAOYSA-N
-rxn:5:189211:225703:226781,COC(=O)c1cc2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cc(C)cc(OC(F)(F)F)c3)ccc2s1,NLDYIOFGEODZKT-UHFFFAOYSA-N
-rxn:5:189336:225985:226366,CN(C(=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccnc(N3CCCCC3)c2)c1)C1CC1,CYGPOFLGTRWIGS-UHFFFAOYSA-N
-rxn:5:189540:226747:222998,CCc1ncc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(CN3CC(OC)C3)c2)cc1C(F)(F)F,SVXHIVDBOBFDLZ-UHFFFAOYSA-N
-rxn:5:189666:226058:223018,CC(C)c1cccc(C(C)C)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,KLTWOYPISBHFIC-XMPQRMRXSA-N
-rxn:5:189718:227625:227299,CN(C)Cc1cc(F)cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cnc(C3CCCO3)nc2)c1,SMBKXAWWEVHBQM-UHFFFAOYSA-N
-rxn:5:189826:225435:227788,O=C(Cc1ccc(-c2cc(C(F)(F)F)cnc2F)cc1-c1ccccc1CN1CCCCC1)N1CCOCC1,OTWVCCOQMNBILD-UHFFFAOYSA-N
-rxn:5:189952:226664:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCC2)ncc1F,CJGDAKOLJIIDSB-UHFFFAOYSA-N
-rxn:5:189952:226744:226645,CCc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccnc(N4CCOCC4)c3)c2OC)cnc1C(F)(F)F,PEUIVXOIQKKUEP-UHFFFAOYSA-N
-rxn:5:189952:227205:226867,COc1c(-c2cccc3c2OCCCO3)cc(C(=O)N2CCOCC2)cc1-c1c(F)cccc1OC(F)(F)F,DJZKKGVIDIFNOC-UHFFFAOYSA-N
-rxn:5:189952:227387:223061,COc1c(-c2ccnc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,XHFRJJBPUMMUIY-UHFFFAOYSA-N
-rxn:5:189952:227491:227316,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,NYTFLARZVHZFGA-UHFFFAOYSA-N
-rxn:5:190127:222417:225978,COC1CCN(C(=O)c2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(N3CCOCC3)nc2F)CC1,JVUAGXFVNKXUNN-UHFFFAOYSA-N
-rxn:5:190127:223011:225679,COC1CCN(C(=O)c2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2-c2ccc(N3CCCCC3)cc2F)CC1,KNVBWLXZGRIVTN-UHFFFAOYSA-N
-rxn:5:190127:226058:227935,CCc1cc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C(=O)N2CCC(OC)CC2)ccc1OC,UYUWHYBJSDDTJA-UHFFFAOYSA-N
-rxn:5:190131:226062:227815,CCC(C)c1ccccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C(C)C)cc(C(C)C)c2)c1OC,VROPKSQMJKHXMX-UHFFFAOYSA-N
-rxn:5:190131:226753:226644,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cncc(N4CCOCC4)c3)c2OC)c(C(F)(F)F)c1,JPMXBHKBXMMYLQ-UHFFFAOYSA-N
-rxn:5:190194:225498:227371,COc1c(C)ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)c1OC,XKKGYCJFKCNTBA-UHFFFAOYSA-N
-rxn:5:190194:228148:225589,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(CN3CCSCC3)cc2)c1OC,GLUXSWOQUVCPST-UHFFFAOYSA-N
-rxn:5:190196:223113:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1CN(C)C1CCOCC1,IZMVKAICWFUNCK-UHFFFAOYSA-N
-rxn:5:190196:226148:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(C#C[Si](C)(C)C)c2)ccc1CN(C)C1CCOCC1,BXZRNZSSEKURPI-UHFFFAOYSA-N
-rxn:5:190196:226767:223139,COc1ccc(C(F)(F)F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)c1,FMXKHSMAUHPLOM-UHFFFAOYSA-N
-rxn:5:190197:223113:225655,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4ccc5c(c4)C(C)(C)C(=O)N5)c3)c2)CC1,WNHVYVXQWSUJPT-UHFFFAOYSA-N
-rxn:5:190231:227379:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,LNPXIIQDHABFPW-UHFFFAOYSA-N
-rxn:5:190265:222989:226597,Cc1cc(N2CCNCC2)ccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(F)c(OC(C)C)c(F)c1,XERNQCZTLIWKME-UHFFFAOYSA-N
-rxn:5:190299:228879:226211,COc1ccc(-c2ccnn2C2COC2)cc1C=C1SC(=O)N(c2ccc(-c3ccc4c(c3)CCN4C(C)=O)cc2)C1=O,XXSQFDPQSJBULP-UHFFFAOYSA-N
-rxn:5:190308:225817:227837,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C4CC4)c3)cc2CCN2CCCC(C)C2)cc(C2CC2)c1,DVQMVMCZLPIYGE-UHFFFAOYSA-N
-rxn:5:190309:225881:227495,CCN(C)c1cc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)cc2CCN2CCCCC2C)c(F)cn1,YBCQLNPEGRFPBZ-UHFFFAOYSA-N
-rxn:5:190335:228567:226912,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2cc(C)cc(CC(C)C)c2)c1OC,QCYIWPRWUIUGNT-UHFFFAOYSA-N
-rxn:5:190484:223142:227507,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-UHFFFAOYSA-N
-rxn:5:190484:223295:223138,CS(=O)(=O)Nc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNCC5)c4)S(=O)(=O)CC3)c2)c1,NEHFHSDMCZMAPX-UHFFFAOYSA-N
-rxn:5:190484:226059:227124,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c(C(C)C)c1,BEPDIHRYSPNCQC-UHFFFAOYSA-N
-rxn:5:190484:226330:228965,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc([N+](=O)[O-])nc4)S(=O)(=O)CC3)c2)s1)N1CCCC1,TVYMDKGLINFWNV-UHFFFAOYSA-N
-rxn:5:190484:227076:227955,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C)cnc4C(C)C)S(=O)(=O)CC3)c2)c1,SZAFGMMSHZESRZ-UHFFFAOYSA-N
-rxn:5:190484:227313:227409,CCC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(F)cn1,YZNHYSGZLKFLQR-UHFFFAOYSA-N
-rxn:5:190484:228220:227415,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)c(F)cn1,CBBBJHFUMRJSIG-UHFFFAOYSA-N
-rxn:5:190484:228965:226645,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2ccnc(N3CCOCC3)c2)S(=O)(=O)CC1,FNMWGRORRMJESE-UHFFFAOYSA-N
-rxn:5:190740:225784:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)nc3)cc2c1-c1cc(N2CCCCC2)ncc1F,YMCXRXGEMRXLJR-UHFFFAOYSA-N
-rxn:5:190741:223062:225978,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCOCC2)nc1F,AAZHCIQNBWUJTK-UHFFFAOYSA-N
-rxn:5:190741:225976:226662,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCN(C)CC2)s1,ZOWSZNHMZPUPSV-UHFFFAOYSA-N
-rxn:5:190742:223062:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(OC2CCOCC2)c1,RCRGXZAJKZDGCY-UHFFFAOYSA-N
-rxn:5:190742:225803:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,MYPBTNGKDDHIEX-UHFFFAOYSA-N
-rxn:5:190742:225976:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCNCC2)cc1F,OVDQLBRDWKXLLW-UHFFFAOYSA-N
-rxn:5:190742:225976:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cnc(N2CCCCC2)cc1F,YPMOCIITGOIVCE-UHFFFAOYSA-N
-rxn:5:190743:223062:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,HFYKKWUQCLYIKT-UHFFFAOYSA-N
-rxn:5:190743:225982:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,NNXQEHPXIBIIQZ-UHFFFAOYSA-N
-rxn:5:190744:223062:225980,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,PDMZNPZGUXEKNF-UHFFFAOYSA-N
-rxn:5:190744:225834:225656,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCCCC2C)c1,ONGYWGDXZFNBKS-UHFFFAOYSA-N
-rxn:5:190796:223061:223144,CC(C)(C)OC(=O)n1cc(-c2cc(C3CCNCC3)ncc2F)c2c(-c3ccc(N4CCC(O)C4)cc3)cccc21,MUNUSYWVGIFNKI-UHFFFAOYSA-N
-rxn:5:190798:223018:226062,CC(C)c1cc(-c2ccc3c(c2)c(-c2ccc4c(c2)NC(=O)C(C)(C)O4)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,KEIPLRZXRAUNEU-UHFFFAOYSA-N
-rxn:5:190798:225395:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)c(-c1cc(C3CC3)cc(C(C)(C)C)c1)cn2C(=O)OC(C)(C)C,FWZMCZIVZICSMS-UHFFFAOYSA-N
-rxn:5:190799:226151:225450,Cc1cc(OC(C)C)c(-c2c(-c3ccc(C(=O)C4CCCC4)cc3)ccc3c2ccn3C(=O)OC(C)(C)C)cc1C,QIOIUFQZQYYYPM-UHFFFAOYSA-N
-rxn:5:190833:226973:227908,CC(C)Cc1ncccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,TVNCXNDSHHYRPP-UHFFFAOYSA-N
-rxn:5:190833:227810:227048,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1,GGQFKAZXCLTLRS-UHFFFAOYSA-N
-rxn:5:190833:227912:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)OC)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,MLQJLXOSAZTQSE-UHFFFAOYSA-N
-rxn:5:190859:227084:227048,Cc1nc(C(C)(C)C)ccc1-c1ccc2c(c1-c1ccc(C(=O)C(C)C)cc1)CCN2C(=O)OC(C)(C)C,LVOVYAKMRSPGFS-UHFFFAOYSA-N
-rxn:5:190998:226366:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,KTUOYGSLDMNBHH-UHFFFAOYSA-N
-rxn:5:190998:227077:226140,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)(C)C)ccc4OC)cc2C(=O)OC)C(=O)CO3)c(F)c1,DRCNLXDXCBGXBS-UHFFFAOYSA-N
-rxn:5:190998:227940:226154,CCc1cc(SC)cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4OC)cc2C(=O)OC)C(=O)CO3)c1,ABQKZBFWOZRKGC-UHFFFAOYSA-N
-rxn:5:190998:228146:226059,CCc1cncc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)C)cc4C(C)C)cc2C(=O)OC)C(=O)CO3)c1OC,LNUAHWREQMWOIC-UHFFFAOYSA-N
-rxn:5:191026:223016:225946,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C(C)=O)cc(C(F)(F)F)c3)c2)c2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)ccc2S1(=O)=O,OVOMDVXBWYXKCN-UHFFFAOYSA-N
-rxn:5:191026:226911:226910,CCc1cc(C)cc(CC)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)CC)cc3)c1)C=C(C(=O)OC)S2(=O)=O,BXCZLTRKQRZKND-UHFFFAOYSA-N
-rxn:5:191026:227076:227065,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(=O)C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,FEQKZBRQEFIPLY-UHFFFAOYSA-N
-rxn:5:191026:227076:227523,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)ncc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HQCGVTUVJJZICS-UHFFFAOYSA-N
-rxn:5:191026:227778:228219,COC(=O)C1=CN(c2ccc(C)c(-c3cnc(C(C)C)cc3F)c2)c2cc(-c3cc(F)cc(F)c3[N+](=O)[O-])ccc2S1(=O)=O,IUEICXJQUCYDIM-UHFFFAOYSA-N
-rxn:5:191026:227823:226910,CCC(C)(C)c1ccc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccccc5C(C)(C)C)cc43)ccc2C)cc1,PYASXJYXAJOWHB-UHFFFAOYSA-N
-rxn:5:192234:223139:225607,COc1c(-c2ccc(C(C)N3CCCCC3)s2)cc(-c2ccc(C3CCNCC3)nc2)cc1S(N)(=O)=O,AEPVDCVQTVBMGR-UHFFFAOYSA-N
-rxn:5:193050:226032:226343,COc1cc(-c2ccc(-c3ccc(OC4CCOC4)cc3)c(C(=O)N3CCCC3)c2)c(F)c(C(F)(F)F)c1,AZDNUXAHMGIVNS-UHFFFAOYSA-N
-rxn:5:193051:225946:226652,CC(=O)c1cc(-c2ccc(CN3CCCC3=O)c(-c3cc(C)nn3C3CCCCO3)c2)cc(C(F)(F)F)c1,DMRCUEZSJVTPFA-UHFFFAOYSA-N
-rxn:5:193229:223062:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cnc(C4CCNCC4)cc3F)c2)CC1,BCMXTDPGXYGXNH-UHFFFAOYSA-N
-rxn:5:193229:226033:226887,COc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(F)c(C(F)(F)F)c2F)cc(C(F)(F)F)c1F,XXGUDSJUBTZBRW-UHFFFAOYSA-N
-rxn:5:193230:226571:223006,O=C(c1ccc(-c2cnn(CC3CCOCC3)c2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,RYMLLNBRGXADGV-UHFFFAOYSA-N
-rxn:5:193337:225833:225946,CC(=O)c1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2CN2CCOCC2)cc(C(F)(F)F)c1,GJGGKCGVGHVGMG-UHFFFAOYSA-N
-rxn:5:193338:226147:225926,Cc1cc(OC(C)C)cc(C)c1-c1cc(CN2CCOCC2)cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,LSSFFPDOIMIRAS-UHFFFAOYSA-N
-rxn:5:193382:222985:225641,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,BSRLWOJGXXQPRN-UHFFFAOYSA-N
-rxn:5:193382:222986:225881,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)nc3F)c2)cc(C2CCCNC2)n1,SIQIBHNRAAWKFY-UHFFFAOYSA-N
-rxn:5:193382:222987:226643,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2)c1,NFPWZFHJZNIVOB-UHFFFAOYSA-N
-rxn:5:193382:222996:223241,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,BTKVDJRABFZBIM-UHFFFAOYSA-N
-rxn:5:193382:223001:223061,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,VWQBQBBJPMDLCO-UHFFFAOYSA-N
-rxn:5:193382:223008:225976,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,MCEWPSWAQABHOW-UHFFFAOYSA-N
-rxn:5:193382:223062:225980,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,SKWDJTBCMGCYDP-UHFFFAOYSA-N
-rxn:5:193382:223134:225976,O=S(=O)(c1ccc(-c2cnccc2C2CCCNC2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,MNSOTYWZTGTMMU-UHFFFAOYSA-N
-rxn:5:193382:223135:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCOCC1,JQJDNGFFPMUOTQ-UHFFFAOYSA-N
-rxn:5:193382:223141:225868,O=S(=O)(c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,GDFLIHONIUIQES-UHFFFAOYSA-N
-rxn:5:193382:223146:226662,CN1CCN(c2ccc(-c3cc(-c4cccc(C5CNCCO5)c4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,FZMLTECXHUWZNL-UHFFFAOYSA-N
-rxn:5:193382:223148:223241,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,HIHHXEYSAIQBJD-UHFFFAOYSA-N
-rxn:5:193382:223285:226330,CC(c1ccc(-c2cc(-c3ccccc3NS(C)(=O)=O)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,MWNVCJIWYSZXEB-UHFFFAOYSA-N
-rxn:5:193382:223286:223146,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNCCO4)c3)c2)c1,IVHLEBRDPWCETJ-UHFFFAOYSA-N
-rxn:5:193382:223288:227656,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)c1,NDZFWANCKGGQLR-UHFFFAOYSA-N
-rxn:5:193382:223294:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCOCC2)c1,WLFLASVYMOHZIP-UHFFFAOYSA-N
-rxn:5:193382:223294:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCOCC2)cc1,OHSCZCFRLWFBIZ-UHFFFAOYSA-N
-rxn:5:193382:223295:226649,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3N3CCOCC3)c2)c1,QOYCTQJUHSVMJU-UHFFFAOYSA-N
-rxn:5:193382:223312:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CNC5)cc4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,PDIKIKVPFFFBAG-UHFFFAOYSA-N
-rxn:5:193382:225683:227438,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,ZLFKBZKXFRKFSN-UHFFFAOYSA-N
-rxn:5:193382:225925:222987,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)nc2C)c1,FNJNIXXJYRWBIW-UHFFFAOYSA-N
-rxn:5:193382:225986:225607,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCCC1,XVICMCMDRAFRJA-UHFFFAOYSA-N
-rxn:5:193382:226411:225636,CC1CCN(c2cc(-c3cc(-c4ccc(N5CCOCC5)cc4)ccc3S(=O)(=O)N3CCOCC3)ccn2)CC1,DGJDRENFIKEDOM-UHFFFAOYSA-N
-rxn:5:193382:226645:225926,O=S(=O)(c1ccc(-c2cc(-c3ccnc(N4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,HMRJPUVKZSSPFW-UHFFFAOYSA-N
-rxn:5:193382:226649:227437,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,OXDXIIMKSPUJQD-UHFFFAOYSA-N
-rxn:5:193382:227086:222958,Cc1ccc(-c2cc(-c3ccnc(C4CCCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,HDGVHMULNNPAIS-UHFFFAOYSA-N
-rxn:5:193382:227387:226413,O=S(=O)(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,DFSFKURDPIJTCX-UHFFFAOYSA-N
-rxn:5:193382:227437:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(C3CCCO3)c2)ccc1S(=O)(=O)N1CCOCC1,JRYPELZIZNRHBT-UHFFFAOYSA-N
-rxn:5:193382:227656:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCOCC1,ZOAPVVBQPYHFDM-UHFFFAOYSA-N
-rxn:5:193382:227969:225803,Cc1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(OC4CCOCC4)c3)c2)c1C1CC1,LRDYNIHOEHKVCS-UHFFFAOYSA-N
-rxn:5:193382:228868:222960,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C)cc(C4CCNCC4)c3)c2)s1,SUGORSSMLJWZMI-UHFFFAOYSA-N
-rxn:5:193462:226059:226582,CC(C)c1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(CN3CCC(=O)CC3)c2)c(C(C)C)c1,YPBRLZXUHLKLAG-UHFFFAOYSA-N
-rxn:5:193506:223147:226661,CN1CCN(c2csc(-c3cc(-c4ccc(C5CNCCO5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,JRJBAIFUFBVUSM-UHFFFAOYSA-N
-rxn:5:193506:223201:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccccc2C2CCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,GGBDCHUTJQTHBK-UHFFFAOYSA-N
-rxn:5:193506:223240:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,AHZIGPHWLJWPRA-UHFFFAOYSA-N
-rxn:5:193506:223294:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,AZAGSCBRGXLUTC-UHFFFAOYSA-N
-rxn:5:193506:223294:226420,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,XINNOZHZRUKCKE-UHFFFAOYSA-N
-rxn:5:193506:223294:228012,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2cccc(F)c2C2CC2)CC1,NDJJHZNHMIECRB-UHFFFAOYSA-N
-rxn:5:193506:223294:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2cc(F)cc(C3CC3)c2)CC1,PCRRNENAWQYVQW-UHFFFAOYSA-N
-rxn:5:193506:225986:227449,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccc(C3CCOCC3)s2)CC1,KEHRXPZURBBMHX-UHFFFAOYSA-N
-rxn:5:193506:226661:223054,CC(c1ccc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,KWHIXCGNHUWGCO-UHFFFAOYSA-N
-rxn:5:193506:226794:223054,CC(c1ccc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,GNKNRIYHHHPRDV-UHFFFAOYSA-N
-rxn:5:193506:227501:227437,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccnc(C3CCCO3)c2)CC1,WGFIGIOWCZYZFY-UHFFFAOYSA-N
-rxn:5:193506:227988:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CC4)c3F)cc2-c2csc(N3CCNCC3)n2)CC1,CCRHPUKLXDCCSE-UHFFFAOYSA-N
-rxn:5:193506:228018:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CC4)c3)cc2-c2csc(N3CCNCC3)n2)CC1,IGYVJLXWPUIONE-UHFFFAOYSA-N
-rxn:5:193538:226085:226031,CC1(C)CCc2cc(-c3cc(CN4CCCCC4)ccc3-c3ccc(C(F)(F)F)cc3C(F)F)ccc2O1,IJZAMDJTJICFIE-UHFFFAOYSA-N
-rxn:5:193541:225655:223173,CC1CCN(c2cncc(-c3cc(CN4CCCCC4)cc(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)c2)CC1,QHUKEGYBQXQHDM-UHFFFAOYSA-N
-rxn:5:193681:225985:227387,CN1CCC(Oc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCC3)c2)CC1,KDPCYWURVXJCNU-UHFFFAOYSA-N
-rxn:5:193753:226836:226415,CC1CCCCN1C(=O)c1cc(-c2ccccc2N2CCOCC2)cc(-c2cn(C(C)C)nc2C(F)(F)F)c1,XNOYXRWJFKYJJG-UHFFFAOYSA-N
-rxn:5:193753:227359:226854,COC(=O)c1cccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3c(F)ccc(OC)c3[N+](=O)[O-])c2)c1C,MWNVPICCHKWCSH-UHFFFAOYSA-N
-rxn:5:193755:226151:223229,CC(=O)Nc1ccc(C)c(-c2c(C(=O)N3CCCC(C)C3)cccc2-c2cc(C)c(C)cc2OC(C)C)c1,YUIXLFCLTLFQSF-UHFFFAOYSA-N
-rxn:5:193756:222960:226883,Cc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3c(F)ccc(C(F)(F)F)c3F)c2)cc(C2CCNCC2)c1,ZSFMETIVEQNYNF-UHFFFAOYSA-N
-rxn:5:193756:225636:227960,CC1CCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4ccncc4C4CCC4)c3)ccn2)CC1,BTQONTQNFDTAEP-UHFFFAOYSA-N
-rxn:5:193756:225834:226177,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccnc(C2CCCCC2)c1,AMAQSSDXGQCEHS-UHFFFAOYSA-N
-rxn:5:193756:226437:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cc(C3CCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,WTGVDUUZTKIEKN-UHFFFAOYSA-N
-rxn:5:193756:227521:226747,CCc1ncc(-c2cc(-c3cc(C(=O)OC)cnc3C)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,OSGWHUZIXSPIID-UHFFFAOYSA-N
-rxn:5:193866:225465:228503,CN1CCC(c2cccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3ccc4c(c3)CCC4)c2)CC1,LBBAEXIBIYEVAQ-UHFFFAOYSA-N
-rxn:5:193866:225637:228503,CN1CCN(c2ccccc2-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(c2)CCC3)CC1,OIBOPRDUWDBCKR-UHFFFAOYSA-N
-rxn:5:193866:226058:227808,CC(C)c1cccc(C(C)C)c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc2c(c1)CCCC2,AEOLWIARTRHZBF-UHFFFAOYSA-N
-rxn:5:193866:228002:227591,COc1cc(C(F)F)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1sccc1C1CCCC1,MLEKYGXSGDNEQF-UHFFFAOYSA-N
-rxn:5:193866:228503:225465,CN1CCC(c2cccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccc4c(c3)CCC4)c2)CC1,ZDEXLSXPXATUAL-UHFFFAOYSA-N
-rxn:5:193867:228443:226739,CSc1c(F)ccc(-c2cc(-c3ccc(C(C)=O)c([N+](=O)[O-])c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,JOGRRWBMOPNSDX-UHFFFAOYSA-N
-rxn:5:193868:225945:226882,CC1CN(C(=O)c2cc(-c3ccc(C#CC(F)(F)F)c(F)c3)ccc2-c2ccc(C(F)(F)F)c(F)c2F)CC(C)O1,XVRZRFQZLHDFEF-UHFFFAOYSA-N
-rxn:5:193868:228239:223056,COc1nc(C)c(-c2ccc(-c3ccc(N4CCC(O)CC4)nc3)c(C(=O)N3CC(C)OC(C)C3)c2)cc1C,NDQURZLORPMORY-UHFFFAOYSA-N
-rxn:5:193869:223112:225849,Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,YBXPZDFLVDDKSU-UHFFFAOYSA-N
-rxn:5:193869:225454:229057,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,LIPOOBIZGXCLTI-UHFFFAOYSA-N
-rxn:5:193869:225638:228890,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,FOBVBIYAGXYHNV-UHFFFAOYSA-N
-rxn:5:193869:226662:228890,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,QWKVUIDNBUFVPQ-UHFFFAOYSA-N
-rxn:5:193869:227837:226395,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,ZDSBULNWKYXURY-UHFFFAOYSA-N
-rxn:5:193869:228379:226794,Cc1cc(-c2cc(F)c(F)cc2C#N)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCSCC2)nc1,FEZZNLZVFVDDTO-UHFFFAOYSA-N
-rxn:5:193869:228512:225634,CC#Cc1cccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCC2)c1,JFMGLLZLYRGHJX-UHFFFAOYSA-N
-rxn:5:193869:228518:225634,CC#Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCC2)cc1,AXGFQRISDVENRK-UHFFFAOYSA-N
-rxn:5:193869:228577:225636,CC#Cc1cncc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCC2)c1,QKVFUBGUNANZSI-UHFFFAOYSA-N
-rxn:5:193869:228588:226662,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCC2)ccn1,XGKLZKPDHMBOPI-UHFFFAOYSA-N
-rxn:5:193869:228683:225454,CCCc1ncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCC2)cn1,QTGYGTWIUSBAQE-UHFFFAOYSA-N
-rxn:5:193869:228701:225454,Cc1cc(-c2cnc(C3CC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,CRUZLDFEARKJOZ-UHFFFAOYSA-N
-rxn:5:193869:228708:225454,Cc1cc(-c2cncnc2C2CC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,BUTQMNMQGOQRHH-UHFFFAOYSA-N
-rxn:5:193869:228883:226661,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,NUIFTDGYKOEGAM-UHFFFAOYSA-N
-rxn:5:193869:228890:226662,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,LEIBNBVFONKYAK-UHFFFAOYSA-N
-rxn:5:193870:222420:226665,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCCOC3)nc2)cc1-c1ccccc1S(N)(=O)=O,AEIPDJOGRPQLAJ-UHFFFAOYSA-N
-rxn:5:193870:222988:228869,COC(=O)c1cc(-c2cc(-c3cc(C)nc(C4CCNCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cs1,OHVASAZRIRTUJV-UHFFFAOYSA-N
-rxn:5:193870:223148:225985,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccccc1C1CNCCO1,HYUSRTJANDNJRG-UHFFFAOYSA-N
-rxn:5:193870:226395:227837,Cc1cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,AJMDJYYZRVGOFU-UHFFFAOYSA-N
-rxn:5:193870:227507:223240,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNC3)nc2)cc1-c1cccc(C=C[N+](=O)[O-])c1,ZHKLEZGJFIEYTA-UHFFFAOYSA-N
-rxn:5:193870:228577:225636,CC#Cc1cncc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,LPBAXKBWSXULTH-UHFFFAOYSA-N
-rxn:5:193870:228588:222989,CC#Cc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3C)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,OZORMOZLQLYKQL-UHFFFAOYSA-N
-rxn:5:193870:228890:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cnc(F)c(C#N)c1,PYSKEIXSYKFSDV-UHFFFAOYSA-N
-rxn:5:193871:227081:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc(N2CCCC2)cc1,KKDQAYJUOOFLMO-UHFFFAOYSA-N
-rxn:5:193932:226876:227592,COc1cc(F)cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2ccc(F)cc2OC(F)(F)F)c1OC,OCTRVIAJMPNQHC-UHFFFAOYSA-N
-rxn:5:193967:226849:227282,COc1nccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C#N)cnc3C(C)C)c2)c1C(F)(F)F,VJDBKDYVBKHEGX-UHFFFAOYSA-N
-rxn:5:193972:222989:225862,Cc1cnn(-c2cc(F)cc(-c3cc(S(=O)(=O)N4CCCCCC4)c(-c4ccc(N5CCNCC5)cc4C)cc3C)c2)c1,ZHNQSGMDRJFHTG-UHFFFAOYSA-N
-rxn:5:193972:222990:227930,Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(OC2CC2)c1,PPDUZUMGFCOASJ-UHFFFAOYSA-N
-rxn:5:193972:223112:226366,Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,FJZVPKNGLYCELV-UHFFFAOYSA-N
-rxn:5:193972:223112:226679,Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,FWPLBBJSOMKGMV-UHFFFAOYSA-N
-rxn:5:193972:225454:229067,CCc1ncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,LXFDFXBBVJGPKR-UHFFFAOYSA-N
-rxn:5:193972:225649:226662,Cc1cc(-c2ccc(-n3ccnc3C)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,AWBOWAPNRDSBNK-UHFFFAOYSA-N
-rxn:5:193972:225651:225636,Cc1cc(-c2cnn(C)c2)cc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,MZHSHDVCJKHVNK-UHFFFAOYSA-N
-rxn:5:193972:225853:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(-n3ccnc3C)cc2F)cc1C,DALNEAUBLKOWMH-UHFFFAOYSA-N
-rxn:5:193972:225853:226661,Cc1cc(-c2ccc(-n3ccnc3C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,WVPXAJIXTFXHJM-UHFFFAOYSA-N
-rxn:5:193972:226177:228890,Cc1cc(-c2ccnc(C3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,PXDZUFJJJARCRZ-UHFFFAOYSA-N
-rxn:5:193972:226181:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCCCC4)nc3)cc2C)c1,QRQZKQDJIBOQNO-UHFFFAOYSA-N
-rxn:5:193972:226663:228888,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,BUGYAAIMYBZUIU-UHFFFAOYSA-N
-rxn:5:193972:226794:228635,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C)c1C,XCDHZTPUIXZLNR-UHFFFAOYSA-N
-rxn:5:193972:226916:227899,CCC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4=CCCC4)c3)cc2C)c1,PUWLRASSPRPCHU-UHFFFAOYSA-N
-rxn:5:193972:227899:226916,CCC#Cc1cncc(-c2cc(C)c(-c3cccc(C4=CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,RVMVCPADLZFDRP-UHFFFAOYSA-N
-rxn:5:193972:227899:226918,CCC#Cc1cncc(-c2cc(C)c(-c3ccc(C4=CCCC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,ACGQIYZRLZHCJK-UHFFFAOYSA-N
-rxn:5:193972:228635:226794,Cc1cc(-c2ccc(F)c(C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,RXQHVUSTDMGFKI-UHFFFAOYSA-N
-rxn:5:193972:228637:226663,Cc1cc(-c2cc(C)c(-c3ccc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1F,FXKQNDCZBHPVDP-UHFFFAOYSA-N
-rxn:5:193972:228637:226794,Cc1cc(-c2cc(C)c(-c3cnc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1F,GZEPPRFUMUSDDY-UHFFFAOYSA-N
-rxn:5:193972:228639:226794,Cc1cc(-c2ccc(C)c(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,ZXIREHPZESMIOE-UHFFFAOYSA-N
-rxn:5:193972:228644:226794,Cc1cc(-c2cc(C)c(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,QTALNRBNBHMEON-UHFFFAOYSA-N
-rxn:5:193972:228649:226663,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,VPUGHVSMQFTYJE-UHFFFAOYSA-N
-rxn:5:193972:228649:226794,Cc1cc(C)c(-c2cc(C)c(-c3cnc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,OAOSDHAOJLKPAN-UHFFFAOYSA-N
-rxn:5:193972:228719:226177,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCCCC2)c1,JJJXHBZQXVYIOH-UHFFFAOYSA-N
-rxn:5:193972:228722:226181,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,XTASGMPCMXNCMQ-UHFFFAOYSA-N
-rxn:5:193972:228732:226794,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,OBOKZCRCADFVAD-UHFFFAOYSA-N
-rxn:5:193972:228740:226794,Cc1cc(-c2ccc(C#N)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,NJBDKRWDSDEWAF-UHFFFAOYSA-N
-rxn:5:193972:228749:226794,Cc1cc(-c2cc(C#N)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,GCFHJJZOPRCONL-UHFFFAOYSA-N
-rxn:5:193972:228883:226663,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCSCC2)nc1,AUNVOGYCQQQVMB-UHFFFAOYSA-N
-rxn:5:193972:228888:226663,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCSCC2)nc1,IKRNHMDPCLOSGU-UHFFFAOYSA-N
-rxn:5:193972:228999:225631,C#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,OGAAQCZDSUPDLW-UHFFFAOYSA-N
-rxn:5:193972:229055:226662,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,PLBXFKGEAOZMFR-UHFFFAOYSA-N
-rxn:5:194058:222957:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2CCCNC2)c1,ILZIEBMCTFUQHK-UHFFFAOYSA-M
-rxn:5:194058:222958:225607,Cc1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc1C1CCNCC1,DJIQSYOMKPDXTL-UHFFFAOYSA-M
-rxn:5:194058:223006:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)c(C3CCNCC3)c2)s1)N1CCOCC1,BNMBASUPGICGSZ-UHFFFAOYSA-M
-rxn:5:194058:223054:222957,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2CCCNC2)c1,NMGOXYZXEXPTNY-UHFFFAOYSA-M
-rxn:5:194058:223054:225870,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCC(O)C1,YHGXLTFTRAFRPO-UHFFFAOYSA-M
-rxn:5:194058:223054:225976,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCC(O)C1,SWXQJZCCHJLCGL-UHFFFAOYSA-M
-rxn:5:194058:225456:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCOCC1,FOKXKUYAUVSKGF-UHFFFAOYSA-M
-rxn:5:194058:225465:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCOCC1,UQTJOEJQUPYGNY-UHFFFAOYSA-M
-rxn:5:194058:225607:225874,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(N3CCOCC3)c2)s1)N1CCCCC1,MNZGNNQAWRLJRT-UHFFFAOYSA-M
-rxn:5:194058:225634:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCCCC1,AUSDRJRVUGYZMT-UHFFFAOYSA-M
-rxn:5:194058:225639:225805,CC1CCN(c2ncccc2-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCOCC3)s2)CC1,NJBMTBYJRPIMPJ-UHFFFAOYSA-M
-rxn:5:194058:225655:225805,CC1CCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)c2)CC1,AUROLPAPCRCCKW-UHFFFAOYSA-M
-rxn:5:194058:225805:225454,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3=CCN(C)CC3)cc2)s1)N1CCOCC1,MVEQSQXJFZMHAK-UHFFFAOYSA-M
-rxn:5:194058:225805:225593,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(CN3CCCC3)c2)s1)N1CCOCC1,ICUJISNLGDGKSJ-UHFFFAOYSA-M
-rxn:5:194058:225805:225639,CC1CCN(c2ncccc2-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCOCC3)s2)CC1,XATYYQFIXHJHFS-UHFFFAOYSA-M
-rxn:5:194058:225805:225655,CC1CCN(c2cncc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCOCC4)s3)c2)CC1,QETGTYGOANKOFQ-UHFFFAOYSA-M
-rxn:5:194058:225874:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)c(N3CCOCC3)c2)s1)N1CCCCC1,VXIDLIRROPGRIQ-UHFFFAOYSA-M
-rxn:5:194058:225978:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCOCC1,KVFCSOBYGJHEPR-UHFFFAOYSA-M
-rxn:5:194058:225980:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCOCC1,WSLYPIAVYNQUIQ-UHFFFAOYSA-M
-rxn:5:194058:226661:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCCCC1,JEJBNACPAJXFAX-UHFFFAOYSA-M
-rxn:5:194398:226605:225986,CC(C)Oc1cc(F)c(-c2ccc(C(=O)N3CC4CC4C3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cc1F,KKJJNCGHXSXCLD-UHFFFAOYSA-N
-rxn:5:194733:227592:222990,COc1cc(F)cc(-c2ccc(-c3ccc(N4CCC(O)CC4)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1OC,GHLSUHQVQZJKTG-UHFFFAOYSA-N
-rxn:5:194767:226366:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCCCC5)c4)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,KMAVIAIAPROPSP-UHFFFAOYSA-N
-rxn:5:194782:226204:223189,COc1nc2ccccc2cc1-c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,ODXVWLFMVSSCCV-UHFFFAOYSA-N
-rxn:5:194782:227668:223358,COc1c(F)cc(-c2ccc(-c3ccc(NC(C)=O)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c(C)c1F,NBNIWAULDOZQJQ-UHFFFAOYSA-N
-rxn:5:194782:228628:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(-c2cc(C3CCC3)cs2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,QXGXSMBBRMQLFH-UHFFFAOYSA-N
-rxn:5:194786:225611:226600,CCOc1c(F)c(C)cc(-c2ccc(-n3c(-c4ccc(-c5ccc(N6CCCC6)cc5OC)cc4)cc4c3CC(C)(C)CC4=O)cc2)c1F,BZFTYMOHCJWESV-UHFFFAOYSA-N
-rxn:5:194792:228708:228749,N#Cc1ccc(F)c(-c2ccc(N3C(=O)C4C(c5ccc(-c6cncnc6C6CC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,OVFJTEYDUOHHSC-UHFFFAOYSA-N
-rxn:5:196408:223062:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cnc(C3CCNCC3)cc2F)c1,VEBQWKTWAAHSQH-UHFFFAOYSA-N
-rxn:5:196408:223063:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,YARUHVLOOOGMOD-UHFFFAOYSA-N
-rxn:5:196791:225834:226794,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cnc(N2CCSCC2)nc1,MQLYUESCEDJNPD-UHFFFAOYSA-N
-rxn:5:196793:226035:226331,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2CCOCC2=O)cc1-c1ccc(C2(C#N)CC2)cc1F,OEKMIRYKRQCGAT-UHFFFAOYSA-N
-rxn:5:196858:223186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnn(C2CCCCO2)c1,MSTCELMTSVVGSP-UHFFFAOYSA-N
-rxn:5:196859:226652:223061,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(C3CCNCC3)ncc2F)n(C2CCCCO2)n1,XXTIEWXJRNEUFC-UHFFFAOYSA-N
-rxn:5:196859:226685:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cnc(C2CCOCC2)nc1,IBWLMVZLOJMFGW-UHFFFAOYSA-N
-rxn:5:196917:223132:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cccc(N3CCNCC3)c2)=N1,AWJUPENLBARLBR-UHFFFAOYSA-N
-rxn:5:196917:225655:225985,CC1CCN(c2cncc(-c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)cc3C3=NC(C)(C)CO3)c2)CC1,SAJHWYSJDCIOPG-UHFFFAOYSA-N
-rxn:5:196917:225671:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(C3CCCCC3)ncc2F)=N1,PSUFJKQJRIAZDX-UHFFFAOYSA-N
-rxn:5:196917:225985:223132,CC1(C)COC(c2cc(-c3cccc(N4CCNCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,BJJFPOHWUCEEDZ-UHFFFAOYSA-N
-rxn:5:196917:225985:226176,CC1(C)COC(c2cc(-c3ccncc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AMUOLPUYFORHMU-UHFFFAOYSA-N
-rxn:5:196917:225985:226183,CC1(C)COC(c2cc(-c3cnccc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WDRPBMHOHKIZFQ-UHFFFAOYSA-N
-rxn:5:196917:226179:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(C3CCCCC3)c2)=N1,UPRDLWXEROIDLF-UHFFFAOYSA-N
-rxn:5:196918:226679:222960,Cc1cc(-c2c(-c3cnc(N4CCCC4)cc3F)cccc2N2CCCCC2=O)cc(C2CCNCC2)c1,RYRXNGDDVSJRFY-UHFFFAOYSA-N
-rxn:5:196919:223131:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCNCC4)cc3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,MLYXCQKRVIUBOB-UHFFFAOYSA-N
-rxn:5:196919:223132:225985,CC1(C)COC(c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,LDKRWLXCQCOOCA-UHFFFAOYSA-N
-rxn:5:196919:225985:223132,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cccc(N3CCNCC3)c2)=N1,LALRBUIANAMBHR-UHFFFAOYSA-N
-rxn:5:196919:225985:226437,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(C3CCCC3)ncc2F)=N1,CDJBTMASNUBEQE-UHFFFAOYSA-N
-rxn:5:196919:226176:225985,CC1(C)COC(c2ccc(-c3ccncc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,KUVOHRIFFRTPIG-UHFFFAOYSA-N
-rxn:5:196919:226179:225985,CC1(C)COC(c2ccc(-c3cncc(C4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,BXSIUVKUDPVJQM-UHFFFAOYSA-N
-rxn:5:196919:226183:225985,CC1(C)COC(c2ccc(-c3cnccc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XWRRMZAMHNHHHN-UHFFFAOYSA-N
-rxn:5:196969:222990:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCC(O)CC2)cc1,ANJNJFXOHQCLLK-UHFFFAOYSA-N
-rxn:5:196969:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cncc(C2CCNCC2)c1,NWNPNGHNYOOEMT-UHFFFAOYSA-N
-rxn:5:196969:225832:226440,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cc(F)nc(C2CCCC2)c1,XLXNGWCCVCEMMH-UHFFFAOYSA-N
-rxn:5:196970:225832:226185,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2CCOCC2)cc1,WRCBLCYSUABUJV-UHFFFAOYSA-N
-rxn:5:196977:223140:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccnc(C2CCCNC2)c1,FJMAACOUESZEJC-UHFFFAOYSA-N
-rxn:5:197169:223065:225985,N#CC1=Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,HHZWGOSELUMHAN-UHFFFAOYSA-N
-rxn:5:197169:223065:225987,N#CC1=Cc2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,YQDXFLWAJSYGMW-UHFFFAOYSA-N
-rxn:5:197572:222958:225824,CC(=O)N1CCc2cc(-c3ccc(C)c(C4CCNCC4)c3)cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c21,BUMONJAPRHCNDS-UHFFFAOYSA-N
-rxn:5:197876:223018:228583,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,NBFIZZGNLFMFOF-UHFFFAOYSA-N
-rxn:5:197876:223113:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LUPIFSQRHXEVRD-UHFFFAOYSA-N
-rxn:5:197876:223341:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CC(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,IJCSHEONJDIWHD-UHFFFAOYSA-N
-rxn:5:197876:225498:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GDNIOHUARWVHGU-UHFFFAOYSA-N
-rxn:5:197876:226334:228388,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HAARWTRKDMHGKS-UHFFFAOYSA-N
-rxn:5:197876:226437:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XWPXSOCXCMKIHR-UHFFFAOYSA-N
-rxn:5:197876:227315:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cnc(CC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GFVOOHFQRHPSMZ-UHFFFAOYSA-N
-rxn:5:197876:227408:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PGCOXPUIOPSAOM-UHFFFAOYSA-N
-rxn:5:225454:193869:228201,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCC2)nc1,HRMDVNCHUQDFCH-UHFFFAOYSA-N
-rxn:5:225454:193972:229067,CCc1ncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,LXFDFXBBVJGPKR-UHFFFAOYSA-N
-rxn:5:225978:194058:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCOCC1,KVFCSOBYGJHEPR-UHFFFAOYSA-M
-rxn:5:225985:196917:226176,CC1(C)COC(c2cc(-c3ccncc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AMUOLPUYFORHMU-UHFFFAOYSA-N
-rxn:5:225985:196917:226183,CC1(C)COC(c2cc(-c3cnccc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WDRPBMHOHKIZFQ-UHFFFAOYSA-N
-rxn:5:226179:196917:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(C3CCCCC3)c2)=N1,UPRDLWXEROIDLF-UHFFFAOYSA-N
-rxn:5:226179:196919:225985,CC1(C)COC(c2ccc(-c3cncc(C4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,BXSIUVKUDPVJQM-UHFFFAOYSA-N
-rxn:5:226183:196919:225985,CC1(C)COC(c2ccc(-c3cnccc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XWRRMZAMHNHHHN-UHFFFAOYSA-N
-rxn:5:226395:193870:227837,Cc1cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,AJMDJYYZRVGOFU-UHFFFAOYSA-N
-rxn:5:226437:196917:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(C3CCCC3)ncc2F)=N1,HPWQZVWWWGORBV-UHFFFAOYSA-N
-rxn:5:226662:193869:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCN(C)CC4)s3)cc2C)c1,WGQCPPMYJWPZFQ-UHFFFAOYSA-N
-rxn:5:227376:193869:227283,Cc1cc(-c2cncc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C#N)nc(C2CC2)c1,NJUVVKURYHDWGB-UHFFFAOYSA-N
-rxn:5:227403:193972:228888,Cc1cc(-c2ccc(N3CCCCC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,CMYQDEXTFBRLBA-UHFFFAOYSA-N
-rxn:5:227834:193869:226395,Cc1cc(-c2ccc(C3CC3)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,XTYWCKUUWUIANG-UHFFFAOYSA-N
-rxn:5:227837:193869:226395,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,ZDSBULNWKYXURY-UHFFFAOYSA-N
-rxn:5:227891:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccccc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SOBAPTVYTMIBPB-UHFFFAOYSA-N
-rxn:5:227906:178295:227724,CCC(C)c1ncccc1-c1ccc(-c2cc(OC(F)F)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,JCJJWSGDKVLLRX-UHFFFAOYSA-N
-rxn:5:227907:178295:227314,CCC(C)c1cncc(-c2ccc(-c3ccc(CC(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NOKTWSYPVXTLLX-UHFFFAOYSA-N
-rxn:5:227908:178295:227053,COC(=O)C1(c2cc(-c3cccc(OC(C)(C)C)c3)ccc2-c2cccnc2CC(C)C)CCC(=O)CC1,GGXQKBKAIZIDTG-UHFFFAOYSA-N
-rxn:5:227910:178295:225499,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,DYBKYSURVFITRG-UHFFFAOYSA-N
-rxn:5:227910:178295:227319,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LFOWWHFXOFNXSP-UHFFFAOYSA-N
-rxn:5:227915:178295:226913,CCOc1ccc(-c2ccc(-c3cc(CC)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,MQZKUWRQMUBWJN-UHFFFAOYSA-N
-rxn:5:227917:178295:226589,CCc1ccc(OC)c(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZJEJVEILECCKFK-UHFFFAOYSA-N
-rxn:5:227922:178295:226191,CCc1cc(OC)ccc1-c1ccc(-c2cc(C3CCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,VXVJTOILQTYIQH-UHFFFAOYSA-N
-rxn:5:227922:178295:227298,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)ccc2CN(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,VZMFNSYFKLKZQN-UHFFFAOYSA-N
-rxn:5:227926:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,SDSBKGLAFGDYGP-UHFFFAOYSA-N
-rxn:5:227932:178295:227286,COCc1ccc(C)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SEQOAHRVBDWWGO-UHFFFAOYSA-N
-rxn:5:227933:178295:226067,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,HWCJKMGTCSDXGJ-UHFFFAOYSA-N
-rxn:5:227933:178295:227043,CCc1ccc(OC)cc1-c1ccc(-c2ccc(OC(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,OSJOCCQQMOHBEP-UHFFFAOYSA-N
-rxn:5:227933:178295:227589,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)cc(OC(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VYOLGLCCEWJLAC-UHFFFAOYSA-N
-rxn:5:227933:178295:227591,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,MZMDYQPJVPYKRE-UHFFFAOYSA-N
-rxn:5:227937:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cccc(SC(C)C)c2)CCC(=O)CC1,NMXYFKDMBZGWQJ-UHFFFAOYSA-N
-rxn:5:227940:178295:226153,CCc1cc(SC)cc(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LCFFSMFJMKDDBR-UHFFFAOYSA-N
-rxn:5:227940:178295:226589,CCc1cc(SC)cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZFSXWKWZWHAOPG-UHFFFAOYSA-N
-rxn:5:227943:178295:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(C)ccc2N(C)C)CCC(=O)CC1,RAFULIFKHDXVFQ-UHFFFAOYSA-N
-rxn:5:227971:178295:226576,COC(=O)C1(c2cc(-c3ccc(F)c(C(=O)N(C)C)c3)ccc2-c2cnccc2C(C)(C)C)CCC(=O)CC1,UQDJSEIVBHJTHQ-UHFFFAOYSA-N
-rxn:5:227980:178295:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,BPDHPRMPAZFFOQ-UHFFFAOYSA-N
-rxn:5:227988:193506:223294,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CC4)c3F)cc2-c2csc(N3CCNCC3)n2)CC1,CCRHPUKLXDCCSE-UHFFFAOYSA-N
-rxn:5:227989:178295:226973,CC#Cc1ccc(F)c(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WWZPGHSCWMYSJX-UHFFFAOYSA-N
-rxn:5:227996:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2ccc(C(C)=O)cc2C)CCC(=O)CC1,XOINBRPTQQFSLL-UHFFFAOYSA-N
-rxn:5:228218:193506:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ncc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,SGBIOQMTJRFXRJ-UHFFFAOYSA-N
-rxn:5:228234:193870:226466,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCC(=O)N3C)cc1-c1c(C2CC2)ccnc1F,ZJBJVOIHKOCELS-UHFFFAOYSA-N
-rxn:5:228631:193972:227020,Cc1cc(-c2ccsc2C2CCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C#CC2CC2)c1,HXOOQFDYCKANAW-UHFFFAOYSA-N
-rxn:5:228635:193972:226794,Cc1cc(-c2ccc(F)c(C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,RXQHVUSTDMGFKI-UHFFFAOYSA-N
-rxn:5:228649:193972:226663,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,VPUGHVSMQFTYJE-UHFFFAOYSA-N
-rxn:5:228649:193972:226794,Cc1cc(C)c(-c2cc(C)c(-c3cnc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,OAOSDHAOJLKPAN-UHFFFAOYSA-N
-rxn:5:228708:193869:225454,Cc1cc(-c2cncnc2C2CC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,BUTQMNMQGOQRHH-UHFFFAOYSA-N
-rxn:5:228732:193972:226794,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,OBOKZCRCADFVAD-UHFFFAOYSA-N
-rxn:5:228740:193972:226794,Cc1cc(-c2ccc(C#N)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,NJBDKRWDSDEWAF-UHFFFAOYSA-N
-rxn:5:229205:193972:225849,CCc1csc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)c1,QOMYBQBYJQYDFA-UHFFFAOYSA-N
-rxn:4:173308:223894,COC(=O)c1ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)c(OCCC(F)(F)F)c1,WXUUTMQHRKSAHM-UHFFFAOYSA-N
-rxn:4:173329:224400,CCOC(=O)CC(=O)Cc1cc(F)ccc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,BEUZZAAWMYQKLC-UHFFFAOYSA-N
-rxn:4:173336:224246,COCCOc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)cc(F)c1C(=O)OC,UCSTZZBDAZGFCW-UHFFFAOYSA-N
-rxn:4:173352:222598,COC(=O)CCCS(=O)(=O)c1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc1,RLLLPSGRYDTDGM-UHFFFAOYSA-N
-rxn:4:173395:223534,CCOCc1cc(C(=O)OCC)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,MREWFNBQVZCCJU-UHFFFAOYSA-N
-rxn:4:173413:223929,CCOC(=O)C(Cc1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1)C(C)=O,QJPVIUQSRMDQDP-UHFFFAOYSA-N
-rxn:4:173455:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccccc2CC(=O)CC(=O)OC(C)(C)C)c1,DUHQWDJRSYYGSR-UHFFFAOYSA-N
-rxn:4:173480:222583,COC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc(OC(=O)c2ccccc2)c1OC,QOPYCGKRTCXBIU-UHFFFAOYSA-N
-rxn:4:173510:225380,CC(C)(C)OC(=O)c1cc(OCC2CC2)ccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F,YLXVDWDPCJCJHN-UHFFFAOYSA-N
-rxn:4:173550:225191,CC(C)(C)OC(=O)c1cc(-c2cnc(OC3CCCCC3)cc2F)cc(-c2ccccc2OC(F)(F)F)c1,XHERKRHPKXILOP-UHFFFAOYSA-N
-rxn:4:173593:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,WRXXNKULGIGBIX-UHFFFAOYSA-N
-rxn:4:173596:224883,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(C)N2CCCCC2)cc1,OMPZNHJRARRNBZ-UHFFFAOYSA-N
-rxn:4:173612:225271,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(OC)c(OC)cc3C(=O)OC)c1)C2=O,QVXLMEONZCIZPO-UHFFFAOYSA-N
-rxn:4:173636:222907,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccncc3NC(=O)OC(C)(C)C)ccc1OC)C2=O,YPXWWFPCVWZFNP-UHFFFAOYSA-N
-rxn:4:173654:222540,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c1)C2=O,SSWJGAUBCIJHKW-UHFFFAOYSA-N
-rxn:4:173710:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCC(F)F)cc1OC(F)(F)F,PCYVFVCXZYMDMH-UHFFFAOYSA-N
-rxn:4:173723:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,SCJRLVMSJICZEL-UHFFFAOYSA-N
-rxn:4:173723:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2C)CC1,MOHLRIGEJSIXFJ-UHFFFAOYSA-N
-rxn:4:173723:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,LCQQTJKDOXPULI-UHFFFAOYSA-N
-rxn:4:173723:224120,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1CO[Si](C)(C)C(C)(C)C,ZZTGVKPBNSVXQB-UHFFFAOYSA-N
-rxn:4:173723:224189,COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1O[Si](C)(C)C(C)(C)C,XAJTZRNJAFCEMP-UHFFFAOYSA-N
-rxn:4:173723:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(F)c1F,MDYGTUUEGRXAEV-UHFFFAOYSA-N
-rxn:4:173723:224409,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1,CRQYMZWFMOKZLE-UHFFFAOYSA-N
-rxn:4:173763:223490,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,ALPJOAKBSYMRSQ-UHFFFAOYSA-N
-rxn:4:173763:223901,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1,SMKRKSYKGYTTCI-UHFFFAOYSA-N
-rxn:4:173763:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)CC(=O)C(=O)OC)cc2)c(Cl)c1,UUQLBRMZYZKPGL-UHFFFAOYSA-N
-rxn:4:173787:224252,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,YWOJIKCSWONFJB-UHFFFAOYSA-N
-rxn:4:173802:222546,O=S(=O)(OC(c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,OIKIBXVLQGYTRW-UHFFFAOYSA-N
-rxn:4:173802:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,GKFWEDHCQKQSLD-UHFFFAOYSA-N
-rxn:4:173802:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,XFPHXTNOCGAJBA-UHFFFAOYSA-N
-rxn:4:173802:222874,CC(C)(C)NC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1Cl,FOYPKKOJTDGVJH-UHFFFAOYSA-N
-rxn:4:173802:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,XLCWZPQGXJGHBE-UHFFFAOYSA-N
-rxn:4:173802:223492,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RLBDJZRVQODJQF-UHFFFAOYSA-N
-rxn:4:173802:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,BZGUYBSINBYGLS-UHFFFAOYSA-N
-rxn:4:173802:223768,CC(C)(C)OC(=O)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c2ccc(C#N)cc21,ZLEIUNYLKIZOCL-UHFFFAOYSA-N
-rxn:4:173802:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1OC,YENMYZLATCBCNE-UHFFFAOYSA-N
-rxn:4:173802:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,NPNLNLJJVNVZCK-UHFFFAOYSA-N
-rxn:4:173802:224751,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCOCC1,UZZOAWXZHFAGTG-UHFFFAOYSA-N
-rxn:4:173802:224769,O=S(=O)(OC(c1ccc(-c2ccc(N3CCCC3)cc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,OPFPPVYLRVEWAP-UHFFFAOYSA-N
-rxn:4:173802:224774,O=S(=O)(OC(c1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,GNESNXNJMBRGOA-UHFFFAOYSA-N
-rxn:4:173802:224847,CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GQUYPPMDBZYWBA-UHFFFAOYSA-N
-rxn:4:173802:225008,COC1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,QDHCRQMRULPYBN-UHFFFAOYSA-N
-rxn:4:173802:225351,COC(=O)c1c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cccc1C(F)(F)F,WGAWERVVZUANSN-UHFFFAOYSA-N
-rxn:4:173802:225734,CCCCOc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(Cl)c1F,HPHAGSKYRYKFFH-UHFFFAOYSA-N
-rxn:4:173911:222539,COC(=O)Cc1ccc(C(=O)OC)cc1-c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2,BAZPOSVYXSEINH-UHFFFAOYSA-N
-rxn:4:173921:222545,COC(=O)C(C(=O)OC)c1cccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,TXNJMQYBZITOIX-UHFFFAOYSA-N
-rxn:4:174193:222684,CC(C)(C)OC(=O)CC(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,UWYCMQNENCSNQS-UHFFFAOYSA-N
-rxn:4:174196:222628,COc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1OCCC1OCCO1,OSSXVXHFLSIXEU-UHFFFAOYSA-N
-rxn:4:174371:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)c(C(=O)OC)c3)cc2)CC1,YNUXHWVOWFAELA-UHFFFAOYSA-N
-rxn:4:174401:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1ccc(OC)cc1,QMYCMPYRGFDZJF-UHFFFAOYSA-N
-rxn:4:174406:225199,COC(=O)C1(c2ccc(-c3cc(F)c(OC4CCCC4)c(F)c3)cc2)CC(OC)(OC)C1,BXRQGBFKJLSFOS-UHFFFAOYSA-N
-rxn:4:174499:222639,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2)c(F)c1,NCWYUQWXLGOEML-IBGZPJMESA-N
-rxn:4:174522:222823,CC(C)[Si](C#Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,PJORZQXMQHBTAY-UHFFFAOYSA-N
-rxn:4:174528:223881,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc2ccc(C)cc2n1C(=O)OC(C)(C)C,LCXXHGODFYRENO-UHFFFAOYSA-N
-rxn:4:174647:226844,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C(=O)c1ccccc1C2=O,ZYOAZEUGKJFJOG-UHFFFAOYSA-N
-rxn:4:174649:223036,COc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,SOJJVDPEEWOVMB-UHFFFAOYSA-N
-rxn:4:174656:222539,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)c12)(C(C)C)C(C)C,FVORDUJISJAIOD-UHFFFAOYSA-N
-rxn:4:175207:223499,CCOc1cc(C(F)(F)F)c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,JIFSCQXUEUVDHZ-UHFFFAOYSA-N
-rxn:4:175992:222624,COc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc(C2OCCO2)c1OC(C)C,GABAXFNQZNSOQR-UHFFFAOYSA-N
-rxn:4:176018:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)cc1OCC1CCCCC1,RWBQTDSWHYARBJ-UHFFFAOYSA-N
-rxn:4:176018:222774,COc1cc(-c2ccc(F)c(CN3CCC(O)CC3)c2)c(F)cc1OCC1CCCCC1,NTMIVFIHQSQUDT-UHFFFAOYSA-N
-rxn:4:176182:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1,FFPPUWQAVRQPHN-UHFFFAOYSA-N
-rxn:4:176270:224677,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(Cl)c(C(=O)N3CCCCC3)c1)C2=O,OWSWQHHLSQZYLH-UHFFFAOYSA-N
-rxn:4:176316:223869,CCOc1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc1OCc1ccccc1,OUYKGVHNXMHADE-UHFFFAOYSA-N
-rxn:4:176322:229090,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2csc(C(C)=O)c2)C(C)(C)CC1(CC)CC,BOCLOIIGICYFJG-UHFFFAOYSA-N
-rxn:4:176451:222684,O=S(=O)(Oc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(F)cc1Cl)C(F)(F)F,MVWXJDMLEWZHHL-UHFFFAOYSA-N
-rxn:4:176939:222604,COc1ccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2C)cc1S(=O)(=O)NC1CCCC1,LIXUODSHVKSZSJ-UHFFFAOYSA-N
-rxn:4:177889:223497,COC(=O)c1cc(-c2ccccc2)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,YIFVDIXUDUONBY-UHFFFAOYSA-N
-rxn:4:177951:223574,COc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(C)C)c1OC,MWUDZUKUOYCDMT-UHFFFAOYSA-N
-rxn:4:177978:222538,COC(=O)C1(C)OC1(C)c1cccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1,CHKLFNWPGNVHHC-UHFFFAOYSA-N
-rxn:4:178330:224853,COC(=O)C1(c2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc2)CC2(C1)OCCO2,AAYYPXSDUBPOCE-UHFFFAOYSA-N
-rxn:4:178384:228637,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)cc1F,CMZFPMGENPAQBL-UHFFFAOYSA-N
-rxn:4:178529:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(OC(=O)C(C)(C)C)cc4ccccc34)cn2)CC1,YTXSHYCZVCGUKF-UHFFFAOYSA-N
-rxn:4:178594:226123,COCc1ccc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc1C1CC1,SMCACEDWJFUFNT-UHFFFAOYSA-N
-rxn:4:178597:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XOHANNTYUUZEGI-UHFFFAOYSA-N
-rxn:4:178597:224862,CC(C)Oc1ccc2ccccc2c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JOCBIFOHESCUFF-UHFFFAOYSA-N
-rxn:4:178597:228258,COc1c(F)ccc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FGNFPDLEPHTTNC-UHFFFAOYSA-N
-rxn:4:178776:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2c(Cl)ccc(C(=O)C(F)(F)F)c2F)CC1,HPTAHKYQWXFJNL-UHFFFAOYSA-N
-rxn:4:179526:223500,COC(C)c1cccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KWCLWORMUXFVOO-UHFFFAOYSA-N
-rxn:4:180205:222389,Fc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OC1CCOCC1,JFLKCQRNBDKLMT-UHFFFAOYSA-N
-rxn:4:180728:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)CCC4OC(C)C)cc21,RNOSODUYYLLZNP-UHFFFAOYSA-N
-rxn:4:180792:224845,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1C2=O,GUWOOLKOAMPBBM-UHFFFAOYSA-N
-rxn:4:180855:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc2)CC1,JWFNLTMVXWDUFJ-UHFFFAOYSA-N
-rxn:4:182354:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c2c1OC1(CCCC1)C2,WLHQJCGNUJLGIW-UHFFFAOYSA-N
-rxn:4:182359:224669,COC1CCC2(CC1)Oc1ccc(-c3ccc(CN4CCN(C)CC4)cc3F)cc1C2=O,AAMSDAPVSCTHGC-UHFFFAOYSA-N
-rxn:4:182372:222701,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc1C2=O,UMAGUKGXVJQGFO-VSFRUXQXSA-N
-rxn:4:182372:224624,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)cc1C2=O,APOTZGPMDOWWLA-DXKIZBQOSA-N
-rxn:4:182376:223917,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)cc3C2=O)C[C@@H]1C,FDLKRNVMVDJSEE-YJUKRBCESA-N
-rxn:4:182376:225466,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5C)cc4)cc3C2=O)C[C@@H]1C,ZQDSDMVWQKRYHN-CTECAUNBSA-N
-rxn:4:183118:223525,Cc1c(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc2c1C(=O)CCO2,ZYHATEFXMDMZCV-UHFFFAOYSA-N
-rxn:4:183273:222649,O=C(Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)Oc1ccccc1,DZODXJRFMUFHTL-UHFFFAOYSA-N
-rxn:4:183273:222862,CCCCNC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1F,CFXSKOMVDUQNEN-UHFFFAOYSA-N
-rxn:4:183273:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,BFDHRWWAQMBNLW-UHFFFAOYSA-N
-rxn:4:183273:222917,O=C(Nc1nccs1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,YLOHWKSNHIHLHI-UHFFFAOYSA-N
-rxn:4:183273:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,AKKIJWLDEWGBIT-UHFFFAOYSA-N
-rxn:4:183273:223124,CC(C)NC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TXFMQFYALQDGBT-UHFFFAOYSA-N
-rxn:4:183273:223396,c1cc2c(cc1-c1ccc3c(c1)OCCOCCOCCOCCOCCOCCO3)NCC2,DZIWBRHNOXTOAG-UHFFFAOYSA-N
-rxn:4:183273:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,GZTNBOYDMZYZLG-UHFFFAOYSA-N
-rxn:4:183273:223935,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cccc(F)c21,MDUNQOBDBBGXMY-UHFFFAOYSA-N
-rxn:4:183273:224112,COc1ccc(OCc2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TZGHDZSXYLOZLQ-UHFFFAOYSA-N
-rxn:4:183273:224206,Fc1ccc(COc2ccc(F)cc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BNSVZIAWFFFJIN-UHFFFAOYSA-N
-rxn:4:183273:224228,Fc1cccc(F)c1COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,FCKFYWSCUVXDSZ-UHFFFAOYSA-N
-rxn:4:183273:224296,O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,IYKJWZPFUXABPV-UHFFFAOYSA-N
-rxn:4:183273:225025,COc1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,YHCMEJDFAGHERX-UHFFFAOYSA-N
-rxn:4:183273:225047,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cnc1N1CCC(C)CC1,VRRQVAQKTLPMIN-UHFFFAOYSA-N
-rxn:4:183273:225140,Cc1nccn1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C#N,JYAHQMHEPUXGQV-UHFFFAOYSA-N
-rxn:4:183273:225391,c1ccc(Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,CXSPMOJTZWQRBR-UHFFFAOYSA-N
-rxn:4:183273:225406,Cc1ccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,LASYRYISPZELRL-UHFFFAOYSA-N
-rxn:4:183273:225422,CN(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc12,VCEYFHCTCGDZLF-UHFFFAOYSA-N
-rxn:4:183273:225778,N#Cc1cc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SQUGPPMRQWFXAZ-UHFFFAOYSA-N
-rxn:4:183273:226194,Cc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,CZBFMVNRYSKTEW-UHFFFAOYSA-N
-rxn:4:183273:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IDVQWDGIUOSKKV-UHFFFAOYSA-N
-rxn:4:183273:226516,CCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(=O)OC)n1,ZUCQPJGXNBSLHM-UHFFFAOYSA-N
-rxn:4:183273:227045,CC(C)(C)Sc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OUEFEDGODDJSNP-UHFFFAOYSA-N
-rxn:4:183273:227294,Cc1cnc(OC(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OYBHQFGMDUXWMG-UHFFFAOYSA-N
-rxn:4:183273:227639,Cc1nn(-c2cccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UADPYHQUAVTGJK-UHFFFAOYSA-N
-rxn:4:183273:227729,Cc1nn(-c2cscn2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HXPLBCTUOKEIIA-UHFFFAOYSA-N
-rxn:4:183273:228022,CC(C)c1ccc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IHZBFFOOICKFOI-UHFFFAOYSA-N
-rxn:4:183273:228153,COc1cc(OC)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GIPXLKBNSORYAH-UHFFFAOYSA-N
-rxn:4:183273:228694,CCN(C)c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WQDTXSDUNCMBMM-UHFFFAOYSA-N
-rxn:4:183273:229048,c1cc2c(cc1-c1cnn3c1CCC3)OCCOCCOCCOCCOCCOCCO2,KGRPINUEFSLNHA-UHFFFAOYSA-N
-rxn:4:183273:229052,CCCn1nccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SKTXSEHAQHYQHR-UHFFFAOYSA-N
-rxn:4:183273:229064,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C2CC2)n1,KJMMEBDSZMJYQM-UHFFFAOYSA-N
-rxn:4:183274:228252,COc1ccc(C)c(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ILUJDRZSNRASSL-UHFFFAOYSA-N
-rxn:4:183379:224842,CC1(C)C=Cc2c3c(cc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c2O1)C(=O)OC(C)(C)O3,WHVXQKXNTCMTKC-UHFFFAOYSA-N
-rxn:4:183726:225724,CCCOc1cc(-c2ccc(OCCN(C)C)c(F)c2)ccc1C(=O)ON1C(=O)CCC1=O,KFDIIRXJGVPJMD-UHFFFAOYSA-N
-rxn:4:183743:222828,CCCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)ccc1C(=O)N1CCC1,LHNIAPSBDLQOIW-UHFFFAOYSA-N
-rxn:4:183752:222424,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)SC1=S,CGMUQQXCLLMJEC-UHFFFAOYSA-N
-rxn:4:183799:225723,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccc(OCCN(C)C)c(Cl)c2)c1,UIJABJXXSUDDGT-UHFFFAOYSA-N
-rxn:4:183810:222896,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)cc1,ABTCWLKJXWMYMX-UHFFFAOYSA-N
-rxn:4:183880:224885,CC1CCN(Cc2ccccc2-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)CC1,JIHATPGCOUAVJE-UHFFFAOYSA-N
-rxn:4:183894:223279,Fc1cccc(-c2cnc(C3CCCN3)nc2)c1OCCCN1CCC(C(F)(F)F)CC1,JCAGTOGQZFFYEX-UHFFFAOYSA-N
-rxn:4:183911:226858,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1cc(OC(F)(F)F)ccc1Cl,WZZDXRINRQIBKI-UHFFFAOYSA-N
-rxn:4:183923:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)s1,MVNDEMXILMRFLN-UHFFFAOYSA-N
-rxn:4:183984:222972,Cc1cc(-c2ccccc2NC(=O)C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,QKEKQGZWBDLADK-UHFFFAOYSA-N
-rxn:4:183985:225723,CC(C)[Si](Oc1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)c(C#N)c1)(C(C)C)C(C)C,ZOOCIPRGWQYTSS-UHFFFAOYSA-N
-rxn:4:184003:222959,Cc1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)ccc1C1CCNCC1,NMTQSAPOEGHZGT-UHFFFAOYSA-N
-rxn:4:184003:224612,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,CIWGBYJYAIJNKO-UHFFFAOYSA-N
-rxn:4:184004:222871,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3)SC2=S)cc1OC,ZXXLRSVQJMWHDZ-UHFFFAOYSA-N
-rxn:4:184011:223279,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,WYCOTDVEMJITHI-UHFFFAOYSA-N
-rxn:4:184014:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GTKCPCAUGUJKLQ-UHFFFAOYSA-N
-rxn:4:184027:226764,COC(=O)c1c(F)ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1F,ASDXOBYVIXZBCX-UHFFFAOYSA-N
-rxn:4:184032:223895,CCN1CCN(CCOc2ccc(-c3cc(F)cc(OCC4CCCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,CJQLGIYPWCYTCN-UHFFFAOYSA-N
-rxn:4:184046:225827,COc1cccc(C(=O)N(Cc2cccc(-c3ccnc(N4CCN(C)CC4)c3)c2)C2CCS(=O)(=O)C2)c1,OPMPFSRZFRUBTO-UHFFFAOYSA-N
-rxn:4:184072:225339,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cc(F)ccc3COCC(F)(F)F)cc2)C1,QGDPMDHNDVPYMV-UHFFFAOYSA-N
-rxn:4:184095:226844,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,RGOAJEVOLRNMRD-LJQANCHMSA-N
-rxn:4:184099:226074,CC(c1ccc(-c2cccc3c(C#N)cccc23)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,DDHDDOUNOHHLAU-UHFFFAOYSA-N
-rxn:4:184125:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(OCCCN4C(=O)c5ccccc5C4=O)cc(C(F)(F)F)c3)c2)CC1,FNYIWLUMIVWUMI-UHFFFAOYSA-N
-rxn:4:184132:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)c4ccn(CC(=O)OC(C)(C)C)c4c3)cc2)CC1,KRXLDHSHXXTDLH-YHBQERECSA-N
-rxn:4:184132:224853,COC(=O)c1cc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc2c1ccn2CC(=O)OC(C)(C)C,BOULFGBDKGZBHI-UHFFFAOYSA-N
-rxn:4:184189:226551,CCOc1cc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)cc(Cl)c1OC,JYRVMPRETXJDDD-UHFFFAOYSA-N
-rxn:4:184216:227067,COc1ccc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)c(C2CC2)c1,OEJOMBTWZCTQLH-UHFFFAOYSA-N
-rxn:4:184273:224958,N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1cccc(OCC2CCCCO2)c1,DJHFHZVGLMPIEB-UHFFFAOYSA-N
-rxn:4:184487:224100,CCOC(=O)c1c(C#N)ccc(-c2ccccc2OCCN2CCC(C)CC2)c1C(F)(F)F,MCQVBTJHBNFOOB-UHFFFAOYSA-N
-rxn:4:184690:223895,CCN1CCN(CCOc2ccc(-c3ccccc3COC(=O)ON3C(=O)CCC3=O)cc2)CC1,NKVTUYKOELVOBE-UHFFFAOYSA-N
-rxn:4:184693:222514,COc1ccc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc1S(=O)(=O)NC1CCCCC1,FZISVEGJXDYNFI-UHFFFAOYSA-N
-rxn:4:184737:223586,COc1ccc(COc2cc(-c3ccc(CC(=O)N4CCC4)c(OC(F)(F)F)c3)cc(C(F)(F)F)c2)cc1,NFCSTDIPWLLAAQ-UHFFFAOYSA-N
-rxn:4:184918:224008,O=C(c1cc(-c2ccccc2OCCCN2CCC(F)(F)C2)cc([N+](=O)[O-])c1)N1CCOCC1,FDSWNCWLQOZQPE-UHFFFAOYSA-N
-rxn:4:185012:222624,CC(C)Cc1cc(-c2cccc(C(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)c2)cc(C2CCNCC2)n1,ZOETVWMHQHINRC-UHFFFAOYSA-N
-rxn:4:185062:222414,Cc1ccc(S(N)(=O)=O)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1,PKBCUCAHKMBFDN-UHFFFAOYSA-N
-rxn:4:185145:222987,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3C)cc2)C1,FEORNBMRMAFGKE-UHFFFAOYSA-N
-rxn:4:185157:226489,COC(=O)c1cc(-c2ccc(OCCCF)c(Cl)c2)ccc1CN1CCCC(C(F)(F)F)C1,IVKQVRXCNLOFBF-UHFFFAOYSA-N
-rxn:4:185161:224128,CN(C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1)C1CCCCC1,WEJIZBVMUKUVBO-UHFFFAOYSA-N
-rxn:4:185198:226652,COC(=O)c1cc(-c2cc(C)nn2C2CCCCO2)ccc1CN1CCC(OC)CC1,KGUPJCMZGMIPLF-UHFFFAOYSA-N
-rxn:4:185199:224617,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c1,PDMCSZYZTBVSKT-UHFFFAOYSA-N
-rxn:4:185212:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC4COS(=O)(=O)N4C(=O)OC(C)(C)C)cc3)cc2)CC1,HOGMZHORKZQBIO-UHFFFAOYSA-N
-rxn:4:185224:225003,COc1cc(N2CCCCC2)ccc1-c1cc(OC)c(C(=O)N2CCC(C(F)(F)F)CC2)c(OC)c1,ATMWVMHDOOYPFA-UHFFFAOYSA-N
-rxn:4:185291:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N(Cc4ccc(F)cc4)C4CCS(=O)(=O)C4)cc3)cc2)CC1,CKADCSHAWBIZEJ-UHFFFAOYSA-N
-rxn:4:185335:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCSC4c4cc(OC)ccc4OC)cc3)c(Cl)c2)CC1,FIEXGCATPZTHGS-UHFFFAOYSA-N
-rxn:4:185343:224683,COc1cc(C=C2SC(=S)N(c3cccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)c3)C2=O)cc(OC)c1OC,LUYSNCWWNWUTOU-UHFFFAOYSA-N
-rxn:4:185351:225179,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2cccc(Cl)c2CN2CCOCC2)CC1,MYNQAANVNHFJGJ-UHFFFAOYSA-N
-rxn:4:185354:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,ICFIJLWDOZMIET-UHFFFAOYSA-N
-rxn:4:185355:227797,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cc(Cl)c(F)cc3[N+](=O)[O-])c2)CC1,JSWUXIBUUCJGOG-UHFFFAOYSA-N
-rxn:4:185378:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,SUOSLUOKTLBKHQ-UHFFFAOYSA-N
-rxn:4:185379:223057,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cc(Cl)nc(C4CCCNC4)c3)c2)CC1,LCHIEXBTCOELKU-UHFFFAOYSA-N
-rxn:4:185382:227991,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3C3CC3)ccc2C(F)(F)F)CC1,FILROMIXPIWAND-UHFFFAOYSA-N
-rxn:4:185384:226290,CC(C)OC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,NWSMAGDMADRMKK-UHFFFAOYSA-N
-rxn:4:185384:227408,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cc(C3CCC3)ncc2F)C1,LMFQMZDIIQYOME-UHFFFAOYSA-N
-rxn:4:185393:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(S(=O)(=O)Cc5ccccc5)CC4)cc3)c(F)c2)CC1,YSULYWJNBAVPNP-UHFFFAOYSA-N
-rxn:4:185417:222896,CC(C)c1ccc(N(C(=O)c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)C2C=CS(=O)(=O)C2)cc1,KFNCQYDZCPLTRZ-UHFFFAOYSA-N
-rxn:4:185420:227058,COc1ccc(C2CC2)cc1-c1ccc(C2CC2)cc1C1CN(C(=O)OC(C)(C)C)CCO1,BATMFXPNFNMWAN-UHFFFAOYSA-N
-rxn:4:185424:228373,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2ccc(Cl)c(C#N)c2F)C1,XELIHMIWFVWVJD-UHFFFAOYSA-N
-rxn:4:185465:222896,COC(=O)c1cc2sc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2n1C(=O)OC(C)(C)C,BYYRZSTZCPSDJV-UHFFFAOYSA-N
-rxn:4:185491:222545,CON=CC(C)C(=O)c1ccc2c(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)c(OC)ccc2c1,SQOTWVBSNDJHMP-UHFFFAOYSA-N
-rxn:4:185509:223036,COC(=O)c1cc2c(cc1-c1ccc(NC(=O)C(C)(C)C)nc1)CCN2C(=O)OC(C)(C)C,CKAXVWISUVDDMK-UHFFFAOYSA-N
-rxn:4:185546:224746,COC(=O)c1cc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,BXFQZSOMUCJWAR-UHFFFAOYSA-N
-rxn:4:185567:224296,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,SIPWHHGJPAXOOS-UHFFFAOYSA-N
-rxn:4:185608:223895,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4C5CCC4CC(S(=O)(=O)c4ccccc4)C5)cc3)cc2)CC1,WAVXSGJJNZEEJD-UHFFFAOYSA-N
-rxn:4:186368:223695,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1OC,CWPZCDIFVDHZQC-UHFFFAOYSA-N
-rxn:4:186368:223886,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1OC,OUZJXASBXMZDAP-UHFFFAOYSA-N
-rxn:4:186368:224302,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2F)cc1OC,PVMVSWTVCICARK-UHFFFAOYSA-N
-rxn:4:186368:224306,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1OC,KVQULAMRDATKJM-UHFFFAOYSA-N
-rxn:4:186467:223897,Cc1ccc(-c2ccc(OCC3(C)COC3)c(C#N)c2)cc1OCCCN1CCOCC1,FIPHZARDDCVYOH-UHFFFAOYSA-N
-rxn:4:186496:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccn1C(=O)c1ccccc1,KQRIICYMBWYRCN-UHFFFAOYSA-N
-rxn:4:186543:224881,O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)c(-c2cccc(CN3CCCCCC3)c2)c1,RQYVOIPGFXXPFF-UHFFFAOYSA-N
-rxn:4:186552:223502,CCN(CC)Cc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,OLLFSDDUOHCOLH-UHFFFAOYSA-N
-rxn:4:186593:223529,Cc1ccc(OCC(=O)N(C)C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,OZUYUHXMHAVHDH-UHFFFAOYSA-N
-rxn:4:186629:222519,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C,POLZSZNDLGSICF-UHFFFAOYSA-N
-rxn:4:186629:223787,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,SHCLGLMUCDFWIE-UHFFFAOYSA-N
-rxn:4:186629:223788,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,DICYCYFUULQSJQ-UHFFFAOYSA-N
-rxn:4:186629:224060,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1,ORSHFWSHACLHED-UHFFFAOYSA-N
-rxn:4:186660:224292,COc1cccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)c1C(=O)ON1C(=O)CCC1=O,OXPFDLRZCCUBNV-UHFFFAOYSA-N
-rxn:4:186940:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1OCC(=O)N1CCCCC1,RNQQIYCFUSJXAN-UHFFFAOYSA-N
-rxn:4:186973:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCC(=O)N4CCCCC4)c(Cl)c3)cc2)CC1,VPAIOZPDEWXGJZ-UHFFFAOYSA-N
-rxn:4:186992:224405,O=C(CS(=O)(=O)c1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1)N1CCOCC1,MXVHPRZTSGAQPP-UHFFFAOYSA-N
-rxn:4:187000:225044,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)cc2)C1,YILOBQCPCLNAFR-UHFFFAOYSA-N
-rxn:4:187013:225738,CCCCOc1cc(F)c(-c2ccc(C(=O)N3CCCCC3)c(OC(F)(F)F)c2)cc1F,DPZKVWKQBPAYMX-UHFFFAOYSA-N
-rxn:4:187074:224249,COC(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1CN1CCOCC1,UOGYTSNZWHDILN-UHFFFAOYSA-N
-rxn:4:187148:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)c1F,DACXPIPAAIVPEN-UHFFFAOYSA-N
-rxn:4:187152:225877,O=C(Cc1ccc(F)cc1-c1ccc(Cl)cc1N1CCOCC1)N1CCC(C(F)(F)F)CC1,LEOXKYCIUIAIOQ-UHFFFAOYSA-N
-rxn:4:187185:224569,COC(=O)C1(C)CCN(Cc2ccc(-c3cc(F)cc(OCC4CCCCC4)c3)cc2)C1,SFXHXROBUZQNMS-UHFFFAOYSA-N
-rxn:4:187196:224569,COc1cc(-c2cc(F)cc(OCC3CCCCC3)c2)cc(OC)c1CN1CCOCC1,WTKUYWRSEXCXAD-UHFFFAOYSA-N
-rxn:4:187214:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,JUXMHZWXFOSTBC-UHFFFAOYSA-N
-rxn:4:187227:224977,N#Cc1cc(-c2ccc(Cl)c(CCN3CCC(C(F)(F)F)CC3)c2)ccc1N1CCCCC1,UGBXNCNUOFSLIY-UHFFFAOYSA-N
-rxn:4:187229:225952,COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1-c1cnc(N2CCOCC2)nc1C,KVBCWTZAEGNUEB-UHFFFAOYSA-N
-rxn:4:187248:223658,COC(=O)c1cc(CN2CCCC(F)(F)C2)cc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1,YZAFICIEKALFFU-UHFFFAOYSA-N
-rxn:4:187297:224249,COC1CCN(CCc2ccc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)cc2)CC1,QUHATHBFVRSOGJ-UHFFFAOYSA-N
-rxn:4:187321:223904,CCOc1cccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)c1CN1CCCC(F)(F)C1,IRMAVTGBYKESMM-UHFFFAOYSA-N
-rxn:4:187389:225898,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnn(CCN2CCOCC2)c1,FZOLPEUDTKRPGP-UHFFFAOYSA-N
-rxn:4:187408:222915,CC(CS(=O)(=O)c1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)cc1)N1CCCCC1,SPWRBGXDRMAPBA-UHFFFAOYSA-N
-rxn:4:187417:225384,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1,DSEJULHTFYVUIX-UHFFFAOYSA-N
-rxn:4:187427:224482,COC(=O)c1cc(-c2cccc(OCCCN3CCCC3)c2)ccc1CN1CCCC(C)C1,IJKQTIJEPONCOU-UHFFFAOYSA-N
-rxn:4:187428:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCCC4C)c(C(=O)OC)c3)c(F)c2)CC1,INBIOQFDRKMWOM-FMWDMEFWSA-N
-rxn:4:187430:224180,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2ccccc2OCCN2CCN(C)CC2)c1,YMSARAMMPWLELJ-UHFFFAOYSA-N
-rxn:4:187462:223753,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)cc1,BGXKQSNZFSDUAN-UHFFFAOYSA-N
-rxn:4:187479:224766,CCOc1cccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c1CN1CCC(C)CC1,RLFLDQNVXXWDKC-UHFFFAOYSA-N
-rxn:4:187485:224250,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C(=O)N2CCCCC2C)ccc1F,QSKRYACMNLFCOL-UHFFFAOYSA-N
-rxn:4:187495:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,QLCOBPUTLSYBNA-UHFFFAOYSA-N
-rxn:4:187554:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,UOZGTORWCXMGDU-UHFFFAOYSA-N
-rxn:4:187571:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,NCNWVUVFPNCLPB-UHFFFAOYSA-N
-rxn:4:187583:223665,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3COc3ccc(OC(F)(F)F)cc3)ccc2Cl)CC1,ALYHXRSJZVBJLW-UHFFFAOYSA-N
-rxn:4:187586:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,QPOXCSGELJDOPM-UHFFFAOYSA-N
-rxn:4:187615:224355,O=C(c1cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)ccc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1,IMIKFPITXXJUFI-UHFFFAOYSA-N
-rxn:4:187629:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,XRJLSJBVZLQYSF-UHFFFAOYSA-N
-rxn:4:187659:226090,CCN(CC)Cc1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,AVHOIPMUKHOYGY-UHFFFAOYSA-N
-rxn:4:187692:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)cc1,BAKTVCCOTHEKQO-UHFFFAOYSA-N
-rxn:4:187890:222896,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c1)C2=O,GFVCNUWCHFGEBK-UHFFFAOYSA-N
-rxn:4:187891:222896,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc1)C2=O,HOZFEOIZZCAOSJ-UHFFFAOYSA-N
-rxn:4:187918:226062,COc1cc(-c2cc(C(C)C)cc(C(C)C)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,AMLOWGGQBLGSMR-UHFFFAOYSA-N
-rxn:4:187956:224612,O=C1C(=Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21,KFGWMZGUJCBXJY-UHFFFAOYSA-N
-rxn:4:187961:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)c1,GZLXEPMFUVIFKL-UHFFFAOYSA-N
-rxn:4:187961:224127,CCN1CCN(C(C)c2ccc(-c3ccc(-n4c(CC(=O)OC)cc5c4CC(C)(C)CC5=O)cc3)cc2)CC1,BZAABDKQMHPFPL-UHFFFAOYSA-N
-rxn:4:187961:224421,COC(=O)Cc1cc2c(n1-c1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)CC(C)(C)CC2=O,RQBAJXHSXYBUBJ-UHFFFAOYSA-N
-rxn:4:187961:225747,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(C)n3C(=O)OC(C)(C)C)cc1)CC(C)(C)CC2=O,QGUZKCWTIXCZCX-UHFFFAOYSA-N
-rxn:4:187971:223776,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc21,AFAPNVMMCFKJMC-UHFFFAOYSA-N
-rxn:4:187973:222946,O=C(c1ccccc1-c1cnc(N2CCCCC2O)nc1Cl)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,PDFBKBUVMVXBMF-UHFFFAOYSA-N
-rxn:4:187981:222896,Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)c3ccccc3C2=O)cc1,NMFBGZJBTWTTNK-UHFFFAOYSA-N
-rxn:4:187995:226070,CCc1cc(-c2ccc3c(ccn3C(C)C)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,YEJYKDAKMSQWII-UHFFFAOYSA-N
-rxn:4:188157:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3[N+](=O)[O-])cc2)CC1,GEHSKEWXNLRHOP-UHFFFAOYSA-N
-rxn:4:188437:223755,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)o1,DLCRTVGMHNBIIR-UHFFFAOYSA-N
-rxn:4:188681:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1,XQADTXCANHHFNZ-UHFFFAOYSA-N
-rxn:4:188681:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1,UATZQUOHPNECNX-UHFFFAOYSA-N
-rxn:4:189069:223597,CC(C)C(C#N)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,IPPXMXYMTAEQBK-UHFFFAOYSA-N
-rxn:4:189164:222700,O=C(CN1C(=O)CSC1=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1,HTWJVYUFGGQCMI-UHFFFAOYSA-N
-rxn:4:189356:222588,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,RGHLXLYOUKNFLV-UHFFFAOYSA-N
-rxn:4:189356:223537,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc2cc(OC(F)(F)F)ccc2n1C(=O)OC(C)(C)C,MNDQRMKNQLTORT-UHFFFAOYSA-N
-rxn:4:189356:223788,CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,CIOSQKMRMAKTCS-UHFFFAOYSA-N
-rxn:4:189517:224324,O=C1CCN(C(=O)c2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CC(F)(F)C4)c3)ccc2F)CC1,KUAFANNBFBWSQT-UHFFFAOYSA-N
-rxn:4:189608:224373,COc1ccc(-c2cc(OC(F)(F)F)cc(N3CCC(F)(F)C3)c2)cc1S(=O)(=O)N1CCCC1,WCTPVVZGSKLGHR-UHFFFAOYSA-N
-rxn:4:189647:223712,COc1ccc(-c2cccnc2OCC2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,BGLXPWRXIRRQMG-UHFFFAOYSA-N
-rxn:4:189719:222722,O=[N+]([O-])c1c(F)cc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1OC1CCOCC1,SJELMMCAVAACPO-UHFFFAOYSA-N
-rxn:4:189725:224781,O=C(Cc1ccc(Cl)c(-c2ccc(C3CCCO3)c(C(F)(F)F)c2)c1)N1CCC(F)(F)C1,FKHDCNGJPXXPED-UHFFFAOYSA-N
-rxn:4:189730:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCCC3)c2)CC1,BGUDDZDZHJMDOH-UHFFFAOYSA-N
-rxn:4:189835:224198,CCN1CCN(Cc2ccc(-c3cc(CN4CCCC4)cc(C(F)(F)F)c3)c(F)c2)CC1,MLTNVENGALJGEH-UHFFFAOYSA-N
-rxn:4:190015:224289,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N(C)C(=O)OC(C)(C)C)cc1F,LAUIDEAANBRHOS-UHFFFAOYSA-N
-rxn:4:190105:223784,CCN1CCN(CCOc2ccc(-c3cc(C4CCCCC4)ncc3C(=O)OC)cc2F)CC1,GXGPUWPSURXUDO-UHFFFAOYSA-N
-rxn:4:190120:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCCC1,SZVZUOXTRZQWJY-UHFFFAOYSA-N
-rxn:4:190150:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)C4CCCCC4)c3)c(F)cc2C)CC1,OUZBXYVMFCJQEX-UHFFFAOYSA-N
-rxn:4:190155:225268,CCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(=O)CC3)c2)cc(C(F)(F)F)c1,OOKKEIFWMWLVJH-UHFFFAOYSA-N
-rxn:4:190175:224593,CC1CCN(Cc2cc(-c3cc(S(=O)(=O)N4CCCCC4C(F)(F)F)c(F)cc3F)ccc2F)CC1,QWIADNCDIUMQQI-UHFFFAOYSA-N
-rxn:4:190218:222684,CCC(=O)C1CCCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)C1=O,NAHPKWOIZBXXLJ-UHFFFAOYSA-N
-rxn:4:190221:223493,COc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1CN1CCC(F)(F)CC1,LWWBPMNNRFMNCX-UHFFFAOYSA-N
-rxn:4:190228:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1,YQBWUEXAOMZGOV-UHFFFAOYSA-N
-rxn:4:190300:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OC)c(C=C4SC(=S)N(c5ccc(F)cc5)C4=O)c3)ccc2F)CC1,YHCMWMPNIOVEIN-UHFFFAOYSA-N
-rxn:4:190309:224198,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(CCN4CCCCC4C)c3)c(F)c2)CC1,SJUUNRGMQNMKEA-UHFFFAOYSA-N
-rxn:4:190340:222583,CC(c1cccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1)N1CCC(C(F)(F)F)CC1,WCZLASFSCQRCFF-UHFFFAOYSA-N
-rxn:4:190341:222436,CC(c1ccccc1-c1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,KMFVHIABJJFWHL-UHFFFAOYSA-N
-rxn:4:190354:225639,Cc1cc(-c2cccnc2N2CCC(C)CC2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,PAQXCGALCXZOQO-UHFFFAOYSA-N
-rxn:4:190386:222684,CCC(=O)C1CCCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2C)C1=O,PDCZCPCVNVGNBD-UHFFFAOYSA-N
-rxn:4:190389:223569,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)CC1,CLHDCSFZJGIFJU-UHFFFAOYSA-N
-rxn:4:190389:223753,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)CC1,WQZODYBSZMWJAJ-UHFFFAOYSA-N
-rxn:4:190395:223093,CC(C)C(=O)C1CCCN(c2c(F)cccc2-c2cncc(NS(=O)(=O)C(C)C)c2)C1=O,RKIYDFSYCZCOQH-UHFFFAOYSA-N
-rxn:4:190396:222684,CC(C)C(=O)C1CCCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2F)C1=O,OEDZEXDDOWPERP-UHFFFAOYSA-N
-rxn:4:190433:223167,Cc1cc(-c2ccnc(N3CCNCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,JIKAEXRGUPIYJK-UHFFFAOYSA-N
-rxn:4:190433:225634,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,ROILOAOHTQBTRN-UHFFFAOYSA-N
-rxn:4:190433:226371,Cc1cc(-c2cnc(N3CCCC3)cc2C)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,ZPXKLHUBBJMMSO-UHFFFAOYSA-N
-rxn:4:190433:226426,Cc1cc(-c2ccc(N3CCC(C)CC3)s2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,JNORYPJFJROSPS-UHFFFAOYSA-N
-rxn:4:190433:226659,Cc1cc(-c2cnc(N3CCCC3)c(Cl)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,SDTYWSPGHDCKLQ-UHFFFAOYSA-N
-rxn:4:190433:227404,Cc1cc(-c2cc(N3CCCCC3)cs2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,UIBFTMORRVUSON-UHFFFAOYSA-N
-rxn:4:190447:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(C)c2)c(C)c1,QBLSRBOTGSFJDH-UHFFFAOYSA-N
-rxn:4:190475:225722,CN(C)CCOc1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)ccc1Cl,JLLRDERNWLEOON-UHFFFAOYSA-N
-rxn:4:190485:222804,O=C(c1cccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)c1)N1CCC(c2ccccc2F)S(=O)(=O)CC1,YLDXLSGMHRGBEN-UHFFFAOYSA-N
-rxn:4:190772:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)cc([N+](=O)[O-])c1,YWBNZGNTMATXEN-UHFFFAOYSA-N
-rxn:4:190772:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(S(=O)(=O)ON4C(=O)c5ccccc5C4=O)cc3)cc2C1,RUCSPJPCAJBIHG-UHFFFAOYSA-N
-rxn:4:190789:223838,COc1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1,JFWXGAJCEHEHBK-UHFFFAOYSA-N
-rxn:4:190817:224819,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21,OYPCLLUUPFFYMG-UHFFFAOYSA-N
-rxn:4:190822:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3=O)cc1,BGPPLOIDZBOMFA-UHFFFAOYSA-N
-rxn:4:190822:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3=O)cn2C(=O)OC(C)(C)C,WLQZWPUISJUXEW-UHFFFAOYSA-N
-rxn:4:190926:224967,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)cc(C(C)(C)C)c1,SSJXGFMIAJZERZ-UHFFFAOYSA-N
-rxn:4:190933:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3=O)c1,UIXKWBRONJJSRP-UHFFFAOYSA-N
-rxn:4:190933:222906,CC1c2cc(-c3cnccc3NC(=O)OC(C)(C)C)ccc2C(=O)N1C(=O)OC(C)(C)C,BXSSDUOHRUITJR-UHFFFAOYSA-N
-rxn:4:190956:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,ORYAQHCUGWGSGQ-UHFFFAOYSA-N
-rxn:4:190972:225221,CC1CCCN(c2cc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)c(F)cn2)C1,FNPZHTURBHOLFK-UHFFFAOYSA-N
-rxn:4:190984:222718,CSC1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,OBQXZFITCXBVIG-UHFFFAOYSA-N
-rxn:4:190988:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1,WLYJTSDBGWRIPT-UHFFFAOYSA-N
-rxn:4:191008:222971,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)ccc2C1(C)C,LMUBADHWAGRZFP-UHFFFAOYSA-N
-rxn:4:191042:222822,Cc1cc(F)c(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NC1CC1,HBWJFPDSRYGIJC-UHFFFAOYSA-N
-rxn:4:191058:225829,COC(=O)C1CCN(C2CCc3cc(-c4cnc(N5CCC(C)CC5)nc4)ccc32)CC1,DWFLEHSHKAQIDI-UHFFFAOYSA-N
-rxn:4:191062:225465,CN1CCC(c2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)CC1,SRNXSYQXABJGLA-UHFFFAOYSA-N
-rxn:4:191062:226084,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCCC2,HSZSWCCCENKUTG-UHFFFAOYSA-N
-rxn:4:191062:227613,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnn(C2CCOCC2)c1,CYMCSWFVFWJICJ-UHFFFAOYSA-N
-rxn:4:191080:224612,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc2S1(=O)=O,PFTUVVOUFHYLFN-UHFFFAOYSA-N
-rxn:4:191086:223753,Cc1ccc(-c2cccc(N3C=C(C(=O)c4ccc(Cl)cc4)S(=O)(=O)c4ccc(F)cc43)c2)cc1OCCCN1CCN(C)CC1,UGLHWFLKPWDNKE-UHFFFAOYSA-N
-rxn:4:191089:222967,CC(C)CNC(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,JQYLVBIOLFUPCG-UHFFFAOYSA-N
-rxn:4:191089:223035,CC(C)(C)OC(=O)N1Cc2cc(-c3cccnc3NC(=O)C(C)(C)C)ccc2C(C)(C)C1,YDVMMFFFKBMZKA-UHFFFAOYSA-N
-rxn:4:191090:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1F,BVQVAOSTTKIZCD-UHFFFAOYSA-N
-rxn:4:191097:225744,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(C(=O)OC(C)(C)C)c3)cc21,VVWJBTITNLHYTH-UHFFFAOYSA-N
-rxn:4:191103:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,HKTDANCEOQLPMN-UHFFFAOYSA-N
-rxn:4:191103:227239,COC(=O)Cc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,GQVZUGKJXPVPOU-UHFFFAOYSA-N
-rxn:4:191103:227342,COC(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C,OZPSDODCLSNWME-UHFFFAOYSA-N
-rxn:4:191105:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,CFHMVKZAPJBUKM-UHFFFAOYSA-N
-rxn:4:191105:226273,CCN(C)C(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,KNTPCAPUBJNWDY-UHFFFAOYSA-N
-rxn:4:191113:222583,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)c3cc(F)ccc3S2(=O)=O)cc1,MKLMEKYLOPCTQH-UHFFFAOYSA-N
-rxn:4:191117:226124,COCc1ccc(C2CC2)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,LQRXRGFMFWQTFA-UHFFFAOYSA-N
-rxn:4:191118:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,HHNCJZMDRFCFFE-UHFFFAOYSA-N
-rxn:4:191124:227106,Cc1cc(F)c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,MDRAZSXSEDNFFZ-UHFFFAOYSA-N
-rxn:4:191124:227322,COc1c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cncc1C(C)C,WAEDERVFFBRMCV-UHFFFAOYSA-N
-rxn:4:191124:227574,COc1c(F)ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1OC,QUSDLPDYHARZFU-UHFFFAOYSA-N
-rxn:4:191125:226111,CC(C)(C)OCc1ccccc1-c1ccc2c(c1)CCC21CCN(C(=O)OC(C)(C)C)CC1,HEDWAQKZCNSABA-UHFFFAOYSA-N
-rxn:4:191130:224429,CC(C)COc1ccc2cc(-c3ccc4c(c3)OC3(CC4)CCN(C(=O)OC(C)(C)C)CC3)ccc2c1,OGHTUZKSDDGASA-UHFFFAOYSA-N
-rxn:4:191146:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2C(=O)ON2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1,LXJRRVYFJWSFBJ-UHFFFAOYSA-N
-rxn:4:191149:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2C2CCC3N2C(=O)OC(C)(C)C)c1,PRRMARRCLACDCM-UHFFFAOYSA-N
-rxn:4:191157:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(C=NCC34CC5CC(CC(C5)C3)C4)cc2)c1,SJDGGONOVYSLFV-UHFFFAOYSA-N
-rxn:4:191195:224853,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C3CCC(C)(C)CC3)cc1)c1c2CCC1,ZWEGKRSDKWXSCW-UHFFFAOYSA-N
-rxn:4:191195:226201,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3nn(C(C)C)cc3c1)c1c2CCC1,XHPFZCQSCOYDOZ-UHFFFAOYSA-N
-rxn:4:191195:227935,CCc1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc1OC,RXSVCWXWEZGQSG-UHFFFAOYSA-N
-rxn:4:191195:228571,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(N(C)C)cc1)c1c2CCC1,JXLXNUNRVHYPIA-UHFFFAOYSA-N
-rxn:4:191195:229084,CC(C)c1ncsc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,SUPRGODOEANAQF-UHFFFAOYSA-N
-rxn:4:191203:223520,CC(c1ccc(-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,SBVJDYWDGZBGEN-UHFFFAOYSA-N
-rxn:4:192772:223698,CSC1=NC(=Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc2)C(=O)S1,VCKKAKCIORFCDG-UHFFFAOYSA-N
-rxn:4:192772:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C=C2N=C(SC)SC2=O)cc1,WTUQVCYRQMEATI-UHFFFAOYSA-N
-rxn:4:192876:223598,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnc1C1CCC1,UCVXFNDATQRTEF-UHFFFAOYSA-N
-rxn:4:192970:222604,COc1ccc(-c2cc(N3CCSC3)ccc2C(F)(F)F)cc1S(=O)(=O)NC1CCCC1,KJLCRGAOPVBWJB-UHFFFAOYSA-N
-rxn:4:193131:224592,N#CC1(c2ccc(F)c(-c3ccc(S(=O)(=O)N=C4C=CC(=O)C=C4)cc3)c2)CCCCC1,JHMZGXXGOCJMTA-UHFFFAOYSA-N
-rxn:4:193195:223726,C=C1CCCN(C(=O)c2ccc(-c3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3F)o2)C1,DOHWUUXBEFBXAP-HZCBDIJESA-N
-rxn:4:193278:222583,CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)SC1=S,HTRXGCAGWTWIJE-UHFFFAOYSA-N
-rxn:4:193299:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(N2CCC(F)(F)C2)c(C(F)(F)F)c1,CUOGUGUNNDGOIG-UHFFFAOYSA-N
-rxn:4:193355:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,DMBMXEJIABMTMV-UHFFFAOYSA-N
-rxn:4:193405:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1F,OVDLBVWPZSHAMU-UHFFFAOYSA-N
-rxn:4:193494:222633,O=C(NCCN1CCCC1)c1ccc(-c2cc(F)c(C(=O)N3CCCCC3)cc2Cl)cc1,GZILYVYKMPGQCL-UHFFFAOYSA-N
-rxn:4:193496:224198,CCN1CCN(Cc2ccc(-c3cccc(C(=O)N4CCS(=O)(=O)CC4)c3)c(F)c2)CC1,NDPSYPJIHAISFL-UHFFFAOYSA-N
-rxn:4:193503:222615,Cc1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,FWXRPJDWYYVFNF-UHFFFAOYSA-N
-rxn:4:193503:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(C)(=O)=O)c(C4=NOCC4)c3C)cc2)CC1,SPEVCTHEGNKCKF-UHFFFAOYSA-N
-rxn:4:193503:224337,Cc1c(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,VGSVYCHGWXQAQW-UHFFFAOYSA-N
-rxn:4:193612:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(F)c(CN4CCC(F)(F)CC4)c3)cc2F)CC1,ZSHMRNOKQDJAHE-UHFFFAOYSA-N
-rxn:4:193618:224406,Cc1cc(C(=O)N2CCOCC2)c(F)c(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1,VTOGIUOUBKXBIC-UHFFFAOYSA-N
-rxn:4:193687:222718,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,VLXMXFMRYXERKA-UHFFFAOYSA-N
-rxn:4:193712:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)cc1,DRHIBNCOJVUIFQ-UHFFFAOYSA-N
-rxn:4:193866:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3Cl)c2)CC1,INFBYPQXLKJJQV-UHFFFAOYSA-N
-rxn:4:193884:225104,CCN(CC)C(=O)c1ccc(F)c(-c2cc(S(=O)(=O)N3CCCCC3C)c(F)cc2F)c1,LFJWBKGREVNUTB-UHFFFAOYSA-N
-rxn:4:193898:223712,COc1ccc(-c2cccc(N3CCC(OC)CC3)c2C)cc1C12CC3CC(CC(C3)C1)C2,XWGBRRACJFGFGG-UHFFFAOYSA-N
-rxn:4:193935:223712,COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)cc1C12CC3CC(CC(C3)C1)C2,KTSBBLYSFDNYAT-UHFFFAOYSA-N
-rxn:4:193964:222719,Cc1cc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1,WWONADOYUFCCHH-UHFFFAOYSA-N
-rxn:4:193991:225212,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1-c1cc(F)cc(N2CCN(C)CC2)c1,YGOFGKJBKSWFKO-UHFFFAOYSA-N
-rxn:4:194456:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)c2)CC1,ZLKKVTAAYKJTAS-UHFFFAOYSA-N
-rxn:4:194456:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc1S(=O)(=O)N1CCCC1,IYLWQZXCAQWVJM-UHFFFAOYSA-N
-rxn:4:194538:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc2c(c1)CN(C(=O)C1CCC1)C2,BFWGCQLWDSAPKF-UHFFFAOYSA-N
-rxn:4:194554:223941,Cc1cc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cc2c1N(CC(C)C)C(=O)C2=O,VIIQTQBRGJSOMY-UHFFFAOYSA-N
-rxn:4:194731:224599,COC1CCN(C2CCc3ccc(-c4cc(C(=O)C5CCCCC5)ccc4F)cc32)CC1,PYSCLMHAIZVUMF-UHFFFAOYSA-N
-rxn:4:194750:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,YNJZRLPUORSQSY-UHFFFAOYSA-N
-rxn:4:194757:226564,COc1cc(OC)c(OC)c(-c2ccc3c(c2)CCCC3N2CCCC(C(F)(F)F)C2)c1,DOINDKSZUWCPTP-UHFFFAOYSA-N
-rxn:4:194762:223895,CCN1CCN(CCOc2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3c4ccccc4CC3C)cc2)CC1,LXGXYAGGFGIPAI-UHFFFAOYSA-N
-rxn:4:194805:223895,CCN1CCN(CCOc2ccc(-c3ccc4c5c(cccc35)C(=O)N(OC(C)=O)C4=O)cc2)CC1,GTOSKNUQCSDFBO-UHFFFAOYSA-N
-rxn:4:195190:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(F)c([N+](=O)[O-])c2F)CC1,LKLKUTXFAGKTMF-UHFFFAOYSA-N
-rxn:4:196985:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCS4(=O)=O)cc3C)ccc2OC)CC1,DCCBFLNGCWRJNQ-UHFFFAOYSA-N
-rxn:4:196995:222465,Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(N2CCOCC2=O)c1,PJLDGSODQSYCAW-UHFFFAOYSA-N
-rxn:4:197234:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cc(C#N)c3c(c2)C(=O)CCO3)CC1,UZDPGRSPCYZOSN-UHFFFAOYSA-N
-rxn:4:197244:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccnc4c(C(F)(F)F)cccc34)cc12,DIRAVJUVZIKCJJ-UHFFFAOYSA-N
-rxn:4:197865:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCC4=O)c4ccccc34)ccc2OC(F)(F)F)CC1,UYQLCVJSDUBTAN-UHFFFAOYSA-N
-rxn:4:198070:224612,O=C1CCCC2=C1C(c1ccc(-c3ccc(OCCN4CCOCC4)cc3)cc1)C1C(=O)c3ccccc3C1=N2,UEEGZZGHVQJCAT-UHFFFAOYSA-N
-rxn:4:199533:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)Oc4coc(CSc5ncccn5)cc4=O)c3)cc2)CC1,CTQLIEQFISQEJR-UHFFFAOYSA-N
-rxn:4:199557:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C#N)C1,SEEYVJQFZWKVSN-UHFFFAOYSA-N
-rxn:4:199574:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)c1,FOUTUARPHKBUMX-UHFFFAOYSA-N
-rxn:4:199615:224744,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(CSC3=NCCN3C(=O)c3ccccc3C(F)(F)F)cc2)cc1Cl,DKURVRIDPCENCH-UHFFFAOYSA-N
-rxn:4:199628:224410,COc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)cc1,VPPMZJKZOYYGMV-UHFFFAOYSA-N
-rxn:4:199655:226483,COCCOc1nc(C)ccc1-c1ccccc1CCC(=O)N1CC(CN2C(=O)CCC2=O)C1,AJLHBFHSOZMQBA-UHFFFAOYSA-N
-rxn:4:199660:224612,COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)cc1,IFMHKOCQHBMQJN-UHFFFAOYSA-N
-rxn:4:199685:224949,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(OC)c(CN4CCCC4)c3)C2)cc1,RFNSKHLUAQLZQC-UHFFFAOYSA-N
-rxn:4:199691:222473,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1OC,KNLBICHLFNKYMW-UHFFFAOYSA-N
-rxn:4:199695:222829,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c(C(F)(F)F)c1,PCNGJFVJMGJQHJ-UHFFFAOYSA-N
-rxn:4:199750:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)Oc4ccccc4C(=O)c4cnn(C(C)(C)C)c4)c3)c(F)ccc21,KZHJHIDYZCTWKO-UHFFFAOYSA-N
-rxn:4:199763:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(CCN5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)c3)cccc12,XACSCLIXIVOTNU-UHFFFAOYSA-N
-rxn:4:199764:224653,COC(=O)c1cc(-c2ccc(Cl)cc2OCC2CCCCO2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NPDQIAXXIUNSCL-UHFFFAOYSA-N
-rxn:4:199767:223123,COC(=O)C1CCN(c2ccc(-c3ccc(NC(=O)C(C)C)cc3)c(C(=O)OC(C)(C)C)n2)CC1,LLLJIYFBPJTXDI-UHFFFAOYSA-N
-rxn:4:199768:227906,CCC(C)c1ncccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)OC,PNIITAOBFKLQDL-UHFFFAOYSA-N
-rxn:4:199773:223093,CCC(=O)N1N=C(c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)CC1c1ccc(OC)cc1OC,HMOBVHLQEIHLFA-UHFFFAOYSA-N
-rxn:4:199773:225756,CCC(=O)N1N=C(c2ccc(-c3cc(C(=O)OC)ncc3C(C)C)cc2)CC1c1ccc(OC)cc1OC,WWXPHTQCBIUSFU-UHFFFAOYSA-N
-rxn:4:199790:223989,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc(-c2ccc(OC(F)(F)F)cc2)c1,XPKFZIWSJDPKKX-UHFFFAOYSA-N
-rxn:4:199790:226769,COC(=O)c1cc(F)c(F)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c1,HZYISBHBXXCJIL-UHFFFAOYSA-N
-rxn:4:199806:223559,COc1ccc(-c2ccnc(-c3ccc(OS(=O)(=O)c4ccc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)cc4)cc3)n2)cc1,UXWXMELVNSANAZ-UHFFFAOYSA-N
-rxn:4:199825:223737,CN(Cc1ccc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,GEPOMYUDCOUGKW-UHFFFAOYSA-N
-rxn:4:199826:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CCN4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3)cn2)CC1,HIINDTAQMLTDOQ-UHFFFAOYSA-N
-rxn:4:199826:225723,CC1CN(CCc2ccc(-c3ccc(OCCN(C)C)c(Cl)c3)cc2)CCN1C(=O)OC(C)(C)C,WKSKVJQBFKSGGA-UHFFFAOYSA-N
-rxn:4:199841:226299,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccc(OCC3CC3)cc2Cl)CCN1C(=O)OC(C)(C)C,YOLFMAWZAVUUMQ-UHFFFAOYSA-N
-rxn:4:199855:224991,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1cc(C2CC2)nc(N2CCCC2)c1,SVVPDSSGDJLRHU-UHFFFAOYSA-N
-rxn:4:199870:226001,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(OC(F)(F)F)c(C#N)c1,URNCPMMIRFRJCM-UHFFFAOYSA-N
-rxn:4:199870:227222,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(N(CC)CC)nc1,WPWBLMPDHMCTPU-UHFFFAOYSA-N
-rxn:4:199882:223708,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2)cc(C(C)(C)C)c1,XGFMQLAERGOXHX-WDYNHAJCSA-N
-rxn:4:199883:223707,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)CC2)CC1,WSZYDINKAXEGMG-UHFFFAOYSA-N
-rxn:4:199883:226844,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,IMFDPLXHCMOENJ-UHFFFAOYSA-N
-rxn:4:199944:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N(C(=O)c4ccc([N+](=O)[O-])cc4)c4ccc5oc(=O)sc5c4)cc3)c(F)c2)CC1,PIQXQRZPYZSPJP-UHFFFAOYSA-N
-rxn:4:199948:222935,CCCCN1C(SCc2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)=NS(=O)(=O)c2ccccc21,ACTPXYYVQFAKCV-UHFFFAOYSA-N
-rxn:4:199961:222890,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cc(OC)nc(C4CCCNC4)c3)ccc2n1,GXJNZTSPJDBUNT-UHFFFAOYSA-N
-rxn:4:199967:226043,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2c(Cl)cc(F)c(OC)c2[N+](=O)[O-])cc1,GOAZFKNFFHVVBD-UHFFFAOYSA-N
-rxn:4:199982:224687,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)ccc21,AUUXAQNLKDDYJS-UHFFFAOYSA-N
-rxn:4:199999:227085,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C4CCCC4)nc3)cc2ccn1C(=O)OC(C)(C)C,QEAMGXHBEYPMMK-UHFFFAOYSA-N
-rxn:4:200004:224659,CN1CCN(C(=O)c2cccc(-c3ccc(CS(=O)(=O)c4cn(CC(=O)N5CCCC5)c5ccccc45)cc3)c2)CC1,LQAUHYDOZWEOQQ-UHFFFAOYSA-N
-rxn:4:200013:222950,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4ccc(OC)c(S(=O)(=O)NOC)c4)ccc3OC)N2C1=O,UWNVXLHFNFITBS-UHFFFAOYSA-N
-rxn:4:200015:222632,COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cc(-c4cccc(C(=O)NCCN5CCCC5)c4)ccc31)CC2,BOTBYOLAOIRJEU-UHFFFAOYSA-N
-rxn:4:200018:226844,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,LXAHTPVBCBWDJY-UHFFFAOYSA-N
-rxn:4:200027:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(CSc3cn(CC(=O)N4CCCCCC4)c4ccccc34)cc2)cc1,YFPGUVHUQCNXGO-UHFFFAOYSA-N
-rxn:4:200027:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(CSc3cn(CC(=O)N4CCCCCC4)c4ccccc34)cc2)c1,UYEVADCQLIPBNB-UHFFFAOYSA-N
-rxn:4:200028:222935,CC1CCN(C(=O)Cn2cc(SCc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)c3ccccc32)CC1,HLWRDANVGUAWBL-UHFFFAOYSA-N
-rxn:4:200032:226844,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,JZNMCHTXJNWLLL-UHFFFAOYSA-N
-rxn:4:200039:222982,COc1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,NBXJQCWBCOWYSG-IADGFXSZSA-N
-rxn:4:200039:223004,COc1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,TYUFCTNVGOVZHU-UHFFFAOYSA-N
-rxn:4:200039:223106,COc1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,ONMPKRQWKIPRRI-UHFFFAOYSA-N
-rxn:4:200039:223646,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,NNNVDOBWDMEMHE-UHFFFAOYSA-N
-rxn:4:200048:222434,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(=O)Nc5cccc(OC(F)(F)F)c5)cc4)cc3)[n+](C)c3ccccc32)C1,VWFISTCEBFWQJC-UHFFFAOYSA-O
-rxn:4:200048:222536,Cc1ccc(NC(=O)c2cccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c2)c(C)c1,GASWOSKTRVNVPT-UHFFFAOYSA-O
-rxn:4:200048:222589,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc3)[n+](C)c3ccccc32)C1,IEUHDSQTTOYUSU-UHFFFAOYSA-N
-rxn:4:200048:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,DTRDQWOUPOHEJU-UHFFFAOYSA-N
-rxn:4:200048:222968,CC(C)CNC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1,OVGIPMPKOVSEKC-UHFFFAOYSA-O
-rxn:4:200048:222983,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(CN5CCC(O)C5)c4)cc3)[n+](C)c3ccccc32)C1,XIKIJIGRUSKQPX-UHFFFAOYSA-N
-rxn:4:200048:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,DJUFKGGHANSZRP-UHFFFAOYSA-N
-rxn:4:200048:223021,COCCNC(=O)c1cccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,MWXJVLAJLRNHLV-UHFFFAOYSA-O
-rxn:4:200048:223262,CNC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc1Cl,XIFOERPQDDTEMS-UHFFFAOYSA-O
-rxn:4:200048:223278,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnn(C5CCNCC5)c4)cc3)[n+](C)c3ccccc32)C1,CESZFXFWRVWRCD-UHFFFAOYSA-N
-rxn:4:200048:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(-c2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1,OHIFEBVDFXPGPZ-UHFFFAOYSA-N
-rxn:4:200048:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,VZCFBLXSNIYZLN-UHFFFAOYSA-N
-rxn:4:200048:223807,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OCc5cccc(C(F)(F)F)c5)cc4)cc3)[n+](C)c3ccccc32)C1,SEDUAABOXRSCCO-UHFFFAOYSA-N
-rxn:4:200048:223925,Cc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c(F)c(OCc2ccccc2)c1F,CJZCWGPILPJFIL-UHFFFAOYSA-N
-rxn:4:200048:224313,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C)CC5)c4)cc3)[n+](C)c3ccccc32)C1,FBVCDUPDKSTOLS-UHFFFAOYSA-N
-rxn:4:200048:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,NSAIEIVYXBCIPD-UHFFFAOYSA-N
-rxn:4:200048:224613,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(N(C)C(=O)OC(C)(C)C)c4)cc3)[n+](C)c3ccccc32)C1,IXTKNNCVKWKEOG-UHFFFAOYSA-N
-rxn:4:200048:224672,CCN1CCN(c2ccc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)c(Cl)c2)CC1,IOLPCAFVBOFJLV-UHFFFAOYSA-N
-rxn:4:200048:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(-c4n(CC(=O)OC5CC(C)CCC5C(C)C)c5ccccc5[n+]4C)cc3)cnc12,SUZXSIAUDLUAPE-UHFFFAOYSA-N
-rxn:4:200048:225168,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(CN5CCOCC5)c(F)c4)cc3)[n+](C)c3ccccc32)C1,VTSZITXYWPSIFG-UHFFFAOYSA-N
-rxn:4:200048:225213,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(N5CCN(C)CC5)cc4Cl)cc3)[n+](C)c3ccccc32)C1,BLRYHNFIQMHRJJ-UHFFFAOYSA-N
-rxn:4:200048:225297,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)[n+](C)c3ccccc32)C1,VMRUJOFBWAHSMU-UHFFFAOYSA-N
-rxn:4:200048:225318,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4c(F)cc(N5CCOCC5)cc4F)cc3)[n+](C)c3ccccc32)C1,CLTPHJZAWYZWDW-UHFFFAOYSA-N
-rxn:4:200048:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)c1,GGGVVLLRERRTQW-UHFFFAOYSA-N
-rxn:4:200048:226144,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)[n+](C)c3ccccc32)C1,OIWPJWMLUGLVIR-UHFFFAOYSA-N
-rxn:4:200048:226274,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(C)C)c(C#N)c4)cc3)[n+](C)c3ccccc32)C1,XHLVEAVEIXVWAE-UHFFFAOYSA-N
-rxn:4:200048:226499,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cccn4C(=O)OC(C)(C)C)cc3)[n+](C)c3ccccc32)C1,MXOLTXJVMZTEBY-UHFFFAOYSA-N
-rxn:4:200048:226859,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4Cl)cc3)[n+](C)c3ccccc32)C1,RDLAUQKYWZHSQC-UHFFFAOYSA-N
-rxn:4:200048:226900,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)cc3)[n+](C)c3ccccc32)C1,GOVXZCFDSMLFSU-UHFFFAOYSA-N
-rxn:4:200048:227124,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccc(C(C)(C)C)cc4F)cc3)[n+](C)c3ccccc32)C1,XIVFYOUPAKCNTJ-UHFFFAOYSA-N
-rxn:4:200048:227222,CCN(CC)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cn1,ZHKQASFJTDSFGL-UHFFFAOYSA-N
-rxn:4:200048:227582,CCOc1c(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc(F)c1F,JAPZEKQKVXOJED-UHFFFAOYSA-N
-rxn:4:200048:227587,COc1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cc(F)c1OC,ZZGFYVMFFMBGEN-UHFFFAOYSA-N
-rxn:4:200048:227697,COC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)cnc1Cl,XDFHYNWDVGIZIS-UHFFFAOYSA-N
-rxn:4:200048:227749,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cc(F)cc(C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,PEYFFDPZDNQEJL-UHFFFAOYSA-N
-rxn:4:200048:228297,CCOC(=O)c1ccc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)s1,VWJMIOXYPSUNTH-UHFFFAOYSA-N
-rxn:4:200049:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc(-c2nc3ccccn3c2Sc2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1,PDAZAMIZVHNNCY-UHFFFAOYSA-N
-rxn:4:200206:223568,CCOC(=O)C(C(C)C)n1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cn1,JSMBCDXKBRKOEZ-UHFFFAOYSA-N
-rxn:4:200280:222632,CCC(=O)N1CCN=C1SCc1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,FONIOUANANTWKN-UHFFFAOYSA-N
-rxn:4:200286:222540,COc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1C=Cc1ccc([N+](=O)[O-])cc1C#N,RGCFUYZLYUJOQV-UHFFFAOYSA-N
-rxn:4:200304:222896,COC(=O)C(C)(C)N(C)c1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-],ZMQJMFRCANGBKI-UHFFFAOYSA-N
-rxn:4:200309:225005,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cccc(C(C)N3CCOCC3)c2)cc1,WBGRXXJOLMDOGQ-UHFFFAOYSA-N
-rxn:4:200309:225215,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc1,MJHXQGWXZGZAGO-UHFFFAOYSA-N
-rxn:4:200324:223606,O=C(COc1ccc([N+](=O)[O-])cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1)N1CCCCC1,LAUXBWLDLQBCAL-UHFFFAOYSA-N
-rxn:4:200384:226659,O=C(CCc1ccccc1-c1cnc(N2CCCC2)c(Cl)c1)N1CC(N2C(=O)COC2=O)C1,KULRLQWOLZUNMG-UHFFFAOYSA-N
-rxn:4:200390:223755,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc(F)c4)c3)cc2F)CC1,HWJVPSIMTFGOJO-UHFFFAOYSA-N
-rxn:4:200397:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4C(=O)c4ccc(F)cc4)cc3)cc2)CC1,RKMQWWLHGCNBBU-UHFFFAOYSA-N
-rxn:4:200432:222604,CCOC(=O)c1cnn(-c2cccc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)c2)c1C1CCC1,CBPPTPCNTXCBFD-UHFFFAOYSA-N
-rxn:4:200470:223024,CCCNC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2C)ccc1F,SUQPUTVSZGQSCC-UHFFFAOYSA-N
-rxn:4:200508:223755,CC1CCN(CCCOc2ccc(-c3ccc(OC4CCN(C(=O)Cc5ccc(F)cc5F)C4)nc3)cc2F)CC1,HNLLUMCJKNLPKC-UHFFFAOYSA-N
-rxn:4:200525:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN=C4SCc4ccccc4C)c3)cc2)CC1,FTSPJWGTTBJPGM-UHFFFAOYSA-N
-rxn:4:200556:222721,COCCN1CCCN(C(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)cc2)CC1,QRMOXGKXRMXSKU-UHFFFAOYSA-N
-rxn:4:200579:224323,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,WQSXBMRTJUIQCA-UHFFFAOYSA-N
-rxn:4:200581:222632,Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cc1,XOSAVYIGEBXJQJ-UHFFFAOYSA-N
-rxn:4:200582:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccccc4C)cc3)cc2)CC1,CLHHDNZDOCZKME-UHFFFAOYSA-N
-rxn:4:200605:223123,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(NC(=O)C(C)C)cc1,RNQAPLUQFZLGTK-UHFFFAOYSA-N
-rxn:4:200607:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,KBIXZKNGMKSNFP-UHFFFAOYSA-N
-rxn:4:200631:224612,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccc(OCCN4CCOCC4)cc3)c2)SC1=S)N1CCOCC1,WVWFKTKFLYOCFK-UHFFFAOYSA-N
-rxn:4:200652:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,UARJVJTUJTVESO-UHFFFAOYSA-N
-rxn:4:200663:224612,CCC(=O)N1N=C(c2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1c1ccc(OC)cc1,ULYIAZFQYVWJHG-UHFFFAOYSA-N
-rxn:4:200669:223832,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(C(=O)N2CCC(Oc3ccccn3)CC2)c1,QTADAWGKQMNUCT-UHFFFAOYSA-N
-rxn:4:200696:224746,CC(=O)N1CCN(c2ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,TZGKPWGLONWYIG-UHFFFAOYSA-N
-rxn:4:200700:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IRAKTFNXTRSAOM-UHFFFAOYSA-N
-rxn:4:200705:222722,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2Cl)CC1,PZJZTHBYWPMQAU-UHFFFAOYSA-N
-rxn:4:200708:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc2F)CC1,JLTADATYRZMMQH-UHFFFAOYSA-N
-rxn:4:200709:223687,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2F)CC1,LYYYMOPICBNGSV-UHFFFAOYSA-N
-rxn:4:200730:227550,CCOc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c(F)c1Cl,YRWVUEYFPPCYGH-UHFFFAOYSA-N
-rxn:4:200733:224455,Cc1ccc(SCc2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1,CVZPQQINWKPTES-UHFFFAOYSA-N
-rxn:4:200745:222887,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2cccc(C(=O)N3CCNCC3)c2)c1,JXCJNJRHQZMYCP-UHFFFAOYSA-N
-rxn:4:200746:225722,Cc1cc(OC2CN(C(=O)c3cc(-c4ccc(Cl)c(OCCN(C)C)c4)ccc3Cl)C2)cc(=O)n1C1CC1,IMNQYXVDFPULSB-UHFFFAOYSA-N
-rxn:4:200782:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2)cc1,VUULOQCVZDNNGF-KRWDZBQOSA-N
-rxn:4:200800:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(COc4ccnc(C)c4)CC3)cc2)CC1,XEVAXJHUKHMELZ-UHFFFAOYSA-N
-rxn:4:200822:223289,CNS(=O)(=O)c1ccccc1-c1cccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1,SFNSWMMZUVBTKJ-UHFFFAOYSA-N
-rxn:4:200822:223997,Cc1cc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,XRGUPJOOABNRTA-UHFFFAOYSA-N
-rxn:4:200822:224771,Cc1ccc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCCC1,SDVQBACYZRIVEB-UHFFFAOYSA-N
-rxn:4:200823:222803,Cc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YITZIMUIUIYSTG-UHFFFAOYSA-N
-rxn:4:200845:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C4CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,FBCOHQPQKVXAFT-UHFFFAOYSA-N
-rxn:4:200856:223279,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,AAZZIIUIQVATED-HXBUSHRASA-N
-rxn:4:200867:222972,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1ccccc1NC(=O)C(C)(C)C,OOOAROCJKVMWLT-UHFFFAOYSA-N
-rxn:4:200871:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VSAQBBNZVBZMEY-UHFFFAOYSA-N
-rxn:4:200883:223609,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cc3c(c4ccccc14)-c1ccccc1C3(C)C)C2,UDIBFOKAHCEVLN-UHFFFAOYSA-N
-rxn:4:200883:226834,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cncc(OCC(F)(F)F)c1)C2,GBQDUHLVWADEAV-UHFFFAOYSA-N
-rxn:4:200888:222896,COc1ccc(C2CC(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,CQOXBRIVFKBRDM-UHFFFAOYSA-N
-rxn:4:200895:223989,O=C(c1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1)N1CCCCC1CCN1CCCCCC1,JQIBLKSIXKDYCI-UHFFFAOYSA-N
-rxn:4:200895:226159,O=C(c1ccc(-c2cccc(N3CCCCC3)c2)cc1)N1CCCCC1CCN1CCCCCC1,QXAZFLGETMQKKT-UHFFFAOYSA-N
-rxn:4:200902:222632,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)cc2)CC3)cc1,YOSDIUYINGTYMH-UHFFFAOYSA-N
-rxn:4:200903:222433,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cc2C(C)C)CC1,GXZCJSCFGYJJNN-UHFFFAOYSA-N
-rxn:4:200903:222636,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2C(C)C)CC1,IHQICWZEZLKGNX-RUZDIDTESA-N
-rxn:4:200903:224501,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(OCC4CCCCN4C)cc3)cc2C(C)C)CC1,PBBURQXPOQARHQ-UHFFFAOYSA-N
-rxn:4:200903:227489,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(N(C)C)c(C#N)c3)cc2C(C)C)CC1,QZTZSWYGYYAGLP-UHFFFAOYSA-N
-rxn:4:200932:223755,C#CCn1c(=NC(=O)c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)s2)sc2cccc(OC)c21,ZVPTVCZISALYTK-UHFFFAOYSA-N
-rxn:4:200972:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3c(F)cccc3F)n4CC(=O)OC)cc2)CC1,MAJMQLGUONIWOZ-UHFFFAOYSA-N
-rxn:4:200982:224196,CCSc1ccc(C(=O)N2CCc3cc(-c4cc(F)cc(CN5CCN(CC)CC5)c4)ccc32)cc1[N+](=O)[O-],GUJDDPDOUGRFKD-UHFFFAOYSA-N
-rxn:4:201041:223774,CCC1=Nc2ccc(-c3cc4c(OC)cccc4n3C(=O)OC(C)(C)C)cc2C(c2ccccc2)N1CC(=O)OC,NCKYJMIFRAICGF-UHFFFAOYSA-N
-rxn:4:201085:224999,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C(C)N5CCOCC5)cc4)cc3)C2=O)c2ccccc21,BQGBTCJEAONENK-UHFFFAOYSA-N
-rxn:4:201101:222540,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)N2C(=O)C(C)SC2=N1,MQLCRACCRLSZFG-UHFFFAOYSA-N
-rxn:4:201104:224597,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5cc(C6CC6)cc(N6CCOCC6)c5)cc4)C(=S)N32)cc1OC,WKIMLPSSHAVZJG-UHFFFAOYSA-N
-rxn:4:201113:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(C4C(C(=O)OC(C)C)=C(C)N=C5SCCC(=O)N54)c3)cc2)CC1,ZZLUFOSXNPAKJF-UHFFFAOYSA-N
-rxn:4:201119:227482,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cc(OCCC)ncc4Cl)cc3)C2=O)c2ccccc21,FEZVJQVIXRKSJY-UHFFFAOYSA-N
-rxn:4:201121:223079,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2cccc(S(=O)(=O)NC(C)C)c2)N2C(=O)CCSC2=N1,GGBPFGOPCHZJQB-UHFFFAOYSA-N
-rxn:4:201121:226421,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccc(Cl)cc2N2CCCC2)N2C(=O)CCSC2=N1,PIPVMANOLXRUDQ-UHFFFAOYSA-N
-rxn:4:201124:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,GKFQJEBNPSXREM-UHFFFAOYSA-N
-rxn:4:201144:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)c(Cl)cn1,NLADDPNRMRWJRA-UHFFFAOYSA-N
-rxn:4:201144:225947,CN1CCN(c2ncc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)CC3)C(=O)CO4)cn2)CC1,ZUDCKNUDGLVQPR-UHFFFAOYSA-N
-rxn:4:201149:222633,CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c3)c(=O)n2C1c1ccc(C)cc1,UCNJVBZWJXMXHP-UHFFFAOYSA-N
-rxn:4:201153:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5o4)c4ccccc43)cc2)s1,CQNLLLWOBVPMPR-UHFFFAOYSA-N
-rxn:4:201171:222389,O=C(N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,CJLUNMWPZNRUIJ-UHFFFAOYSA-N
-rxn:4:201171:222411,CNC(=S)Nc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,GTJNUVGOLKVSKR-UHFFFAOYSA-N
-rxn:4:201171:222473,COc1cc(C(=O)NCc2ccccc2)ccc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,VLTGEPHPBXDIRN-UHFFFAOYSA-N
-rxn:4:201171:222563,O=C(NCc1cccc(F)c1)c1cccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1,HPHLOFACIXJERU-UHFFFAOYSA-N
-rxn:4:201171:222584,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)C12CC3CC(CC(C3)C1)C2,GKEIWANYRPSOBR-UHFFFAOYSA-N
-rxn:4:201171:222623,CCC(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)n1,BUQSVQALDSZROG-UHFFFAOYSA-N
-rxn:4:201171:222668,O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,GPJPSRUDHJKPOU-UHFFFAOYSA-N
-rxn:4:201171:223134,O=C(N1CCN=C1SCc1ccc(-c2cnccc2C2CCCNC2)cc1)C12CC3CC(CC(C3)C1)C2,SCLFUZNDRQNRSM-UHFFFAOYSA-N
-rxn:4:201171:223151,N#CCNC(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,FNUDTSRBEYXBTI-UHFFFAOYSA-N
-rxn:4:201171:223217,O=C(N1CCN=C1SCc1ccc(-c2ccc3c(=O)[nH]ccc3c2)cc1)C12CC3CC(CC(C3)C1)C2,LKVDTPYGMHMOCS-UHFFFAOYSA-N
-rxn:4:201171:223919,CN(C(=O)c1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl)C1CCCCC1,IDFLGYKPOSOPGE-UHFFFAOYSA-N
-rxn:4:201171:223934,CC(C)(C)OC(=O)n1c(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2ccc(F)cc21,ZMMRARHHTAYJGY-UHFFFAOYSA-N
-rxn:4:201171:224099,N#Cc1ccccc1CSc1ccc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,RIVXTYRPUZBPKT-UHFFFAOYSA-N
-rxn:4:201171:224509,N#Cc1ccc(Oc2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1,JQVXLANHZOZOHB-UHFFFAOYSA-N
-rxn:4:201171:224930,CCN(CC)Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC,LYPLBLAWFSRQLH-UHFFFAOYSA-N
-rxn:4:201171:224935,O=C(N1CCN=C1SCc1ccc(-c2ccc(COCc3ccco3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,IYPGQGKFNUDHGR-UHFFFAOYSA-N
-rxn:4:201171:224944,O=C(N1CCN=C1SCc1ccc(-c2ccc(OCc3ccccn3)cc2)cc1)C12CC3CC(CC(C3)C1)C2,SEMQBZVFEUKGJS-UHFFFAOYSA-N
-rxn:4:201171:225017,COc1cccc(-c2cc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)ccn2)c1,SNLJBNLXPRWUIM-UHFFFAOYSA-N
-rxn:4:201171:225099,O=C(N1CCN=C1SCc1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,VAEFZPXXRDCWIU-UHFFFAOYSA-N
-rxn:4:201171:225213,CN1CCN(c2ccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)c2)CC1,SSVPJVVNKGDQSZ-UHFFFAOYSA-N
-rxn:4:201171:225248,O=C(N1CCN=C1SCc1ccc(-c2cnc(Cl)c(-c3ccccc3F)c2)cc1)C12CC3CC(CC(C3)C1)C2,CQNYDDMGBPRQGS-UHFFFAOYSA-N
-rxn:4:201171:225381,O=C(N1CCN=C1SCc1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1)C12CC3CC(CC(C3)C1)C2,ZRHOVXNQVKJSQZ-UHFFFAOYSA-N
-rxn:4:201171:225695,O=C(N1CCN=C1SCc1ccc(-c2cncc(-c3ccc(Cl)cc3)c2)cc1)C12CC3CC(CC(C3)C1)C2,SDYXAOZHPHYNFJ-UHFFFAOYSA-N
-rxn:4:201171:225756,COC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C(C)C)cn1,HMWYBPJHDLEXTP-UHFFFAOYSA-N
-rxn:4:201171:226949,Cc1ccc2nccc(-c3ccc(CSC4=NCCN4C(=O)C45CC6CC(CC(C6)C4)C5)cc3)c2c1,ZNNWMYBCCLVZTM-UHFFFAOYSA-N
-rxn:4:201171:227150,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc2cnn(C)c12,BGAURGOQFXNTAN-UHFFFAOYSA-N
-rxn:4:201171:227376,O=C(N1CCN=C1SCc1ccc(-c2cncc(N3CCCC3)c2)cc1)C12CC3CC(CC(C3)C1)C2,LBJJRMOPHRRLQI-UHFFFAOYSA-N
-rxn:4:201171:227689,O=C(N1CCN=C1SCc1ccc(-c2ccc(CC(F)(F)F)nc2)cc1)C12CC3CC(CC(C3)C1)C2,FQYNXIRPPDCHAP-UHFFFAOYSA-N
-rxn:4:201171:227861,O=C(N1CCN=C1SCc1ccc(-c2cnc3c(c2)CCCC3)cc1)C12CC3CC(CC(C3)C1)C2,HKDIIZYIASRXTJ-UHFFFAOYSA-N
-rxn:4:201171:227979,COc1cc(C)cc(C)c1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,VZJLEFLCZSCIIM-UHFFFAOYSA-N
-rxn:4:201171:228353,CN(C)c1ncc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,URCLJPDQRZIBQG-UHFFFAOYSA-N
-rxn:4:201171:228521,Cc1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1C,ZQUWSNYWUKMVCE-UHFFFAOYSA-N
-rxn:4:201171:228763,CCc1c(F)cncc1-c1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,LVRZUIYHVYYBML-UHFFFAOYSA-N
-rxn:4:201189:223225,CCNC(=O)c1ccccc1-c1ccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN2CCOCC2)cc1,ZKCFJBRBQFWTNZ-UHFFFAOYSA-N
-rxn:4:201208:222632,O=C(NCCN1CCCC1)c1cccc(-c2cncc([N+](=O)[O-])c2OS(=O)(=O)C(F)(F)F)c1,VEZJSHLJXLWHPF-UHFFFAOYSA-N
-rxn:4:201673:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(F)c2)c1,IMMZXHLLKATBGR-UHFFFAOYSA-N
-rxn:4:201675:222633,N#CCC(=O)C1CCCN(c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)ccc2F)C1=O,CNIRVVJGXUAEME-UHFFFAOYSA-N
-rxn:4:201683:224161,CC(C)c1nc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cn1C(=O)OC(C)(C)C,AQOSAQQWIBOKEQ-UHFFFAOYSA-N
-rxn:4:201798:222394,Cc1cc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,SPVHBWCMLZGBJK-IHJHTLIFSA-N
-rxn:4:201798:222429,Cc1cc(-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,PAYCXHRBGFEPAI-UHFFFAOYSA-N
-rxn:4:201798:222430,Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,IFVALHKPHPZGBT-UHFFFAOYSA-N
-rxn:4:201798:222434,Cc1cc(-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,DDXPLMGKIDRKIE-UHFFFAOYSA-N
-rxn:4:201798:222435,Cc1cc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,QTVRKHIGVJTNHP-UHFFFAOYSA-N
-rxn:4:201798:222436,Cc1cc(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,BHUXJYSXFWVXOD-UHFFFAOYSA-N
-rxn:4:201798:222437,Cc1cc(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,OFUNKCOFKNBZBI-UHFFFAOYSA-N
-rxn:4:201798:222441,Cc1cc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,QWURBHOPXQEPGZ-UHFFFAOYSA-N
-rxn:4:201798:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1,ZIYCXXPCIUDAKK-UHFFFAOYSA-N
-rxn:4:201798:222454,Cc1cc(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,VFFWJMZRSBGSDM-UHFFFAOYSA-N
-rxn:4:201798:222541,Cc1cc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,FVDUFVOOBDIEDW-UHFFFAOYSA-N
-rxn:4:201798:222546,Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,IQLVXJVJAZPFOU-UHFFFAOYSA-N
-rxn:4:201798:222582,Cc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,HICMPSBROJSYLG-UHFFFAOYSA-N
-rxn:4:201798:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,GQEUUALTZRSQHM-UHFFFAOYSA-N
-rxn:4:201798:222589,Cc1cc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,VEAVFHMAVWPFDO-UHFFFAOYSA-N
-rxn:4:201798:222655,Cc1cc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,PQLZAZJVOHTEHX-UHFFFAOYSA-N
-rxn:4:201798:222656,Cc1cc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NJOMAPQMHBCTHL-UHFFFAOYSA-N
-rxn:4:201798:222698,Cc1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,UOLVSMNBAKGKER-UHFFFAOYSA-N
-rxn:4:201798:222716,Cc1cc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,YHEGCERBSFBYIJ-UHFFFAOYSA-N
-rxn:4:201798:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NNLRCIADVPDGNQ-UHFFFAOYSA-N
-rxn:4:201798:222747,Cc1cc(-c2ccc(C(=O)NCC3CCCO3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,SOVCDBMZVMONRQ-UHFFFAOYSA-N
-rxn:4:201798:222770,Cc1cc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,MTFGJVXAXOSXBW-UHFFFAOYSA-N
-rxn:4:201798:222773,Cc1cc(-c2ccc(C(=O)NC3CCOCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,SQZMTXWQDQKLCJ-UHFFFAOYSA-N
-rxn:4:201798:222777,Cc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,FIOXIDPSLCBABL-UHFFFAOYSA-N
-rxn:4:201798:222790,Cc1cc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,LEQPUZXXOPYJJE-UHFFFAOYSA-N
-rxn:4:201798:222800,Cc1cc(-c2cc(C)c(S(=O)(=O)NC(C)C)c(C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DZOXLKDTFWNLBY-UHFFFAOYSA-N
-rxn:4:201798:222819,Cc1cc(-c2ccc(NC(=O)N3CCOCC3)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,AGNDSTOXOFPVDG-UHFFFAOYSA-N
-rxn:4:201798:222836,Cc1cc(-c2ccc(NC(=O)CC(C)(C)C)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,NHVITUOYUXFNBC-UHFFFAOYSA-N
-rxn:4:201798:222864,Cc1cc(-c2ccc(OCCNC(C)C)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,CDXNMYYYVCOFCH-UHFFFAOYSA-N
-rxn:4:201798:222865,CCCCNC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1Cl,DMGBPTWRGDFDLA-UHFFFAOYSA-N
-rxn:4:201798:222877,Cc1cc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NPIKKJYNUIECGL-UHFFFAOYSA-N
-rxn:4:201798:222885,Cc1cc(-c2ccc(C(=O)NC3CCOC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,XXCJHAABUZCTTB-UHFFFAOYSA-N
-rxn:4:201798:222888,Cc1cc(-c2ccc(CN3CCNCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,JOUCKLVNSPYSGE-UHFFFAOYSA-N
-rxn:4:201798:222912,Cc1cc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,VOQVPURXFNJNIX-UHFFFAOYSA-N
-rxn:4:201798:222915,Cc1cc(-c2ccc(C(=O)NC3=NCCS3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,GDZYVYAFLVXPKW-UHFFFAOYSA-N
-rxn:4:201798:222916,Cc1cc(-c2cccc(C(=O)NC3=NCCS3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,UXZBSFQTYJETRQ-UHFFFAOYSA-N
-rxn:4:201798:222934,CCNC(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc([N+](=O)[O-])c1,PEVTUGGXAHRLNW-UHFFFAOYSA-N
-rxn:4:201798:222937,Cc1cc(-c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,TYEJTLJNKROGCY-UHFFFAOYSA-N
-rxn:4:201798:222950,CONS(=O)(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)ccc1OC,MKMCNMACMOGRTK-UHFFFAOYSA-N
-rxn:4:201798:222964,C#CCCC(=O)Nc1cccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c1,RSUDPGBRPWSIQD-UHFFFAOYSA-N
-rxn:4:201798:222980,Cc1cc(-c2ccc(CN3CCNCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,IMKYJSYAZQNTFZ-UHFFFAOYSA-N
-rxn:4:201798:222987,Cc1cc(-c2ccc(C3CCNCC3)nc2C)ccc1N1CCCC(C(=O)CC#N)C1=O,LHSKWVRJZJLTOL-UHFFFAOYSA-N
-rxn:4:201798:222990,Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,LLTDUPNYIKHLPJ-UHFFFAOYSA-N
-rxn:4:201798:223005,Cc1cc(-c2ccc(C3CCNCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,IQTJKEAYFYKBDG-UHFFFAOYSA-N
-rxn:4:201798:223018,Cc1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc1N1CCCC(C(=O)CC#N)C1=O,FAEBDFATBCBQOZ-UHFFFAOYSA-N
-rxn:4:201798:223032,CCCNC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(F)c1,PRTOHJWRZFAQIV-UHFFFAOYSA-N
-rxn:4:201798:223033,CCCNC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(Cl)c1,NAGACYFRZCTAGB-UHFFFAOYSA-N
-rxn:4:201798:223040,Cc1cc(-c2ccc(C(=O)NC3CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DZQZMZOZLGNJOT-UHFFFAOYSA-N
-rxn:4:201798:223044,Cc1cc(-c2ccc(C(=O)NC(C)C)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,IUHFBCYIWUHQPC-UHFFFAOYSA-N
-rxn:4:201798:223046,Cc1cc(-c2ccc(F)c(C(=O)NC3CC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DUBGXOFQOAEERQ-UHFFFAOYSA-N
-rxn:4:201798:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c1,HZHRRIMJXYLSIT-UHFFFAOYSA-N
-rxn:4:201798:223074,Cc1cc(-c2cccc(NS(=O)(=O)C3CC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NGQGGTHFLGLIRE-UHFFFAOYSA-N
-rxn:4:201798:223492,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,SUFLIIYWULCNGK-UHFFFAOYSA-N
-rxn:4:201798:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,SBNIUBLPSKWWHH-UHFFFAOYSA-N
-rxn:4:201798:223499,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,XMDVJADKLQVEBY-UHFFFAOYSA-N
-rxn:4:201798:223503,Cc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1N1CCCC(C(=O)CC#N)C1=O,UBAWOJGRTXHMJM-UHFFFAOYSA-N
-rxn:4:201798:223504,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NJOSTMAJKWPPFF-UHFFFAOYSA-N
-rxn:4:201798:223507,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CCCC(C(=O)CC#N)C1=O,BCVVWDBOKYURAZ-UHFFFAOYSA-N
-rxn:4:201798:223525,Cc1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,UAGPNCXXJYHPEG-UHFFFAOYSA-N
-rxn:4:201798:223527,Cc1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CCCC(C(=O)CC#N)C1=O,STJXLVZWDHIITI-UHFFFAOYSA-N
-rxn:4:201798:223529,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,SOSBBNTUBKIVGQ-UHFFFAOYSA-N
-rxn:4:201798:223531,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,FGZCASYNFUXIAC-UHFFFAOYSA-N
-rxn:4:201798:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(N4CCCC(C(=O)CC#N)C4=O)c(C)c3)cc2F)cc1,XFRIFXIKNLLUGE-UHFFFAOYSA-N
-rxn:4:201798:223549,Cc1cc(-c2ccc(COc3c(C(C)C)cccc3C(C)C)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,CQGRZBNNUCPBSV-UHFFFAOYSA-N
-rxn:4:201798:223558,Cc1cc(-c2ccc3c(c2)CCN(C(=O)OCc2ccccc2)C3)ccc1N1CCCC(C(=O)CC#N)C1=O,AIEFSWSHFVOSOI-UHFFFAOYSA-N
-rxn:4:201798:223561,Cc1cc(-c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,DOOUTEVRXQJQMP-UHFFFAOYSA-N
-rxn:4:201798:223578,Cc1cc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)ccc1N1CCCC(C(=O)CC#N)C1=O,XIBDMBLCJMVAKX-UHFFFAOYSA-N
-rxn:4:201798:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1,JBFMVDWUXNYCKW-UHFFFAOYSA-N
-rxn:4:201798:223586,COc1ccc(COc2cc(-c3ccc(N4CCCC(C(=O)CC#N)C4=O)c(C)c3)cc(C(F)(F)F)c2)cc1,ICSDLROGBALBBG-UHFFFAOYSA-N
-rxn:4:201798:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,SUKIWRPEKHFLQD-UHFFFAOYSA-N
-rxn:4:201798:223595,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,IVZDEKKWHDZWMD-UHFFFAOYSA-N
-rxn:4:201798:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1N1CCCC(C(=O)CC#N)C1=O,JEIGGRRGGGCVFZ-UHFFFAOYSA-N
-rxn:4:201798:223606,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NBCQPPYPWNWPSI-UHFFFAOYSA-N
-rxn:4:201798:223623,Cc1cc(C(C)(C)C)ccc1OCc1ccccc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,RCMATGTYVNNJIQ-UHFFFAOYSA-N
-rxn:4:201798:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c1,FXUZICKILQSZKZ-UHFFFAOYSA-N
-rxn:4:201798:223633,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(Cl)c1,VCMPOPBVVYMZSX-UHFFFAOYSA-N
-rxn:4:201798:223646,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,WCTHSPIKLYVMJY-UHFFFAOYSA-N
-rxn:4:201798:223660,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)ccc1N1CCCC(C(=O)CC#N)C1=O,DBMGNBDRQOPSLY-UHFFFAOYSA-N
-rxn:4:201798:223661,Cc1cc(-c2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,WCXNMCZLKOGNCV-UHFFFAOYSA-N
-rxn:4:201798:223662,Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])ccc1N1CCCC(C(=O)CC#N)C1=O,CIIWIJMUQPBBNU-UHFFFAOYSA-N
-rxn:4:201798:223665,Cc1cc(-c2ccccc2COc2ccc(OC(F)(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,FQZJZTRUALQIBP-UHFFFAOYSA-N
-rxn:4:201798:223666,Cc1cc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,GDPMGHNWXPWCDL-UHFFFAOYSA-N
-rxn:4:201798:223673,Cc1cc(-c2cccc(COc3cc(C(F)(F)F)ccc3Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,LGWVRTPBROQFNH-UHFFFAOYSA-N
-rxn:4:201798:223674,Cc1cc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,NAYQJGOVDZAAGB-UHFFFAOYSA-N
-rxn:4:201798:223677,Cc1cc(-c2cc(Cl)c(OCc3ccccc3)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DJTJYYUYVMVIDP-UHFFFAOYSA-N
-rxn:4:201798:223684,Cc1cc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)ccc1N1CCCC(C(=O)CC#N)C1=O,DDKXTCCWLQOYDL-UHFFFAOYSA-N
-rxn:4:201798:223755,Cc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,KAJGVSAVYBWMER-UHFFFAOYSA-N
-rxn:4:201798:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCCC(C(=O)CC#N)C4=O)c(C)c3)cc2Cl)CC1,QZJMPDNRYSWBHS-UHFFFAOYSA-N
-rxn:4:201798:223786,Cc1cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,JTMCNQCBLMGOCU-UHFFFAOYSA-N
-rxn:4:201798:223787,Cc1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DPNVWGTXMIEKMU-UHFFFAOYSA-N
-rxn:4:201798:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(N4CCCC(C(=O)CC#N)C4=O)c(C)c3)cc2)CC1,MPPCRIDHMKRSSF-UHFFFAOYSA-N
-rxn:4:201798:223817,Cc1cc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,LNZMWCSCAYEAQS-UHFFFAOYSA-N
-rxn:4:201798:223867,Cc1cc(-c2cccc(OCCCN3CCC(C)CC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,GUURJHLDIPTGAW-UHFFFAOYSA-N
-rxn:4:201798:223978,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DUQKHYPHWCOZOL-UHFFFAOYSA-N
-rxn:4:201798:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,BARXYIZBUBGSHX-UHFFFAOYSA-N
-rxn:4:201798:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,YZFYHEAWZQFQQI-UHFFFAOYSA-N
-rxn:4:201798:224080,Cc1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,OGQQAGVVPMPGCJ-UHFFFAOYSA-N
-rxn:4:201798:224170,Cc1cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,AVPUDOJBPXJRMW-UHFFFAOYSA-N
-rxn:4:201798:224179,Cc1cc(-c2ccc(OCCN3CCN(C)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,IKPPPVFYHIRPHJ-UHFFFAOYSA-N
-rxn:4:201798:224248,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,AUMNDPHEXMVZCH-UHFFFAOYSA-N
-rxn:4:201798:224258,Cc1cc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)ccc1N1CCCC(C(=O)CC#N)C1=O,UOMUUUDUPSIWPQ-UHFFFAOYSA-N
-rxn:4:201798:224291,Cc1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,RQGAAXBGAGMCAC-UHFFFAOYSA-N
-rxn:4:201798:224317,Cc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)ccc1N1CCCC(C(=O)CC#N)C1=O,VSUKVEVBZKWTTP-UHFFFAOYSA-N
-rxn:4:201798:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,DPDIXVMATJDVLW-UHFFFAOYSA-N
-rxn:4:201798:224325,Cc1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,FBIAPKCIKBIPQC-UHFFFAOYSA-N
-rxn:4:201798:224329,Cc1cc(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,MGKADYPVFHAZBP-UHFFFAOYSA-N
-rxn:4:201798:224355,Cc1cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,TZZJYHITYVPRHH-UHFFFAOYSA-N
-rxn:4:201798:224375,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,LYBURFYKQISUMR-UHFFFAOYSA-N
-rxn:4:201798:224396,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NFLNNVGEGYEJJE-UHFFFAOYSA-N
-rxn:4:201798:224403,Cc1cc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,RCDDJIBSROGFTG-UHFFFAOYSA-N
-rxn:4:201798:224404,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NATGNEGDWAQJIK-UHFFFAOYSA-N
-rxn:4:201798:224409,Cc1cc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NPLWFNKJPUFAEF-UHFFFAOYSA-N
-rxn:4:201798:224410,Cc1cc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,CSYCHYDNGSRUEZ-UHFFFAOYSA-N
-rxn:4:201798:224412,Cc1cc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,RNKIJDTXKBSPDH-UHFFFAOYSA-N
-rxn:4:201798:224414,Cc1cc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,VHKANEQWPWPQNZ-UHFFFAOYSA-N
-rxn:4:201798:224416,Cc1cc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,YRVCXJXFPQMWDA-UHFFFAOYSA-N
-rxn:4:201798:224421,Cc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)ccc1N1CCCC(C(=O)CC#N)C1=O,QNGUJSIBDDFDHX-UHFFFAOYSA-N
-rxn:4:201798:224462,Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,VEHZBDAFXBSFEP-UHFFFAOYSA-N
-rxn:4:201798:224493,Cc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,YIUAIPMKLRJOSO-UHFFFAOYSA-N
-rxn:4:201798:224617,Cc1cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,OWUNIXCULXBNPV-UHFFFAOYSA-N
-rxn:4:201798:224619,Cc1cc(-c2ccc(OCCN3CCCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,AXLVYXRVTLERKM-UHFFFAOYSA-N
-rxn:4:201798:224663,Cc1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,SVTBVBQYXYVAEV-UHFFFAOYSA-N
-rxn:4:201798:224682,Cc1cc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,ZRAATFZPGQPPBQ-UHFFFAOYSA-N
-rxn:4:201798:224744,Cc1cc(-c2cc(Cl)c(C(=O)OC(C)(C)C)cc2F)ccc1N1CCCC(C(=O)CC#N)C1=O,GJOPGUAFZOTUCP-UHFFFAOYSA-N
-rxn:4:201798:224760,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,YATWHPSSNVYDJH-UHFFFAOYSA-N
-rxn:4:201798:224773,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,RJPIQCQHAUYRHF-UHFFFAOYSA-N
-rxn:4:201798:224791,Cc1cc(-c2ccc(C(=O)OC(C)C)cc2[N+](=O)[O-])ccc1N1CCCC(C(=O)CC#N)C1=O,GORHIPULDGVLNC-UHFFFAOYSA-N
-rxn:4:201798:224811,Cc1cc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,LVJHZQBKUGVESA-UHFFFAOYSA-N
-rxn:4:201798:224820,Cc1cc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,AUGUZOBPWBZBBW-UHFFFAOYSA-N
-rxn:4:201798:224825,CON(C)C(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc([N+](=O)[O-])c1,RUIVYBCYIQAIDY-UHFFFAOYSA-N
-rxn:4:201798:224966,Cc1cc(-c2ccc(OCC3CCOCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,IWMJSFGGXBJYHA-UHFFFAOYSA-N
-rxn:4:201798:225000,Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,KRHIXSFPUXOZCG-UHFFFAOYSA-N
-rxn:4:201798:225086,Cc1cc(-c2ccc(OCCCN(C)C)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,UYPSOYCZNSKHGA-UHFFFAOYSA-N
-rxn:4:201798:225122,Cc1cc(-c2cncc(O[Si](C)(C)C(C)(C)C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,JKMJFBMDSCFQBH-UHFFFAOYSA-N
-rxn:4:201798:225162,Cc1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,CHONTGXFEULYAU-UHFFFAOYSA-N
-rxn:4:201798:225165,COc1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)ccc1N1CCOCC1,BTBLEDYFDYUBPD-UHFFFAOYSA-N
-rxn:4:201798:225168,Cc1cc(-c2ccc(CN3CCOCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,ZGMPMBRCKUFJFH-UHFFFAOYSA-N
-rxn:4:201798:225176,Cc1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,SPCIBCKGVPGREG-UHFFFAOYSA-N
-rxn:4:201798:225177,Cc1cc(-c2ccc(CN3CCSCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,VYIQEHWYDGQDSX-UHFFFAOYSA-N
-rxn:4:201798:225189,Cc1cc(-c2cccc(CN3C(=O)CCC3=O)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,GYLQDVNRHUEZLQ-UHFFFAOYSA-N
-rxn:4:201798:225193,Cc1cc(-c2ccc(C3COCCO3)c(C#N)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,PBHZOLGUUJOGCB-UHFFFAOYSA-N
-rxn:4:201798:225197,Cc1cc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,UYPJSTHXDPFMLQ-UHFFFAOYSA-N
-rxn:4:201798:225204,Cc1cc(-c2cc(C(F)(F)F)cc(C3CC3)c2C)ccc1N1CCCC(C(=O)CC#N)C1=O,ZABJWUFPYKWRPD-UHFFFAOYSA-N
-rxn:4:201798:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c1,PQVYGXMUAFMPRB-UHFFFAOYSA-N
-rxn:4:201798:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c1,IMVJJFGTIQCCBZ-UHFFFAOYSA-N
-rxn:4:201798:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,RNNLOKLXGZYWPA-UHFFFAOYSA-N
-rxn:4:201798:225267,CCCOc1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(C(F)(F)F)c1,RPKGOZGBVCQVBW-UHFFFAOYSA-N
-rxn:4:201798:225268,CCCOc1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc(C(F)(F)F)c1,HCFLFAWDQFSFKL-UHFFFAOYSA-N
-rxn:4:201798:225269,COC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(C(=O)OC)c1,PFPKQLFZMUAAHJ-UHFFFAOYSA-N
-rxn:4:201798:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,WJJRDVMNTJSXLQ-UHFFFAOYSA-N
-rxn:4:201798:225288,Cc1cc(-c2ccc(OC(C)C)cc2C(F)(F)F)ccc1N1CCCC(C(=O)CC#N)C1=O,FCHVNVBMUQSXAW-UHFFFAOYSA-N
-rxn:4:201798:225326,CCOC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c([N+](=O)[O-])c1,MTFKTJKCCVAEEN-UHFFFAOYSA-N
-rxn:4:201798:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,XROFCEGTLVYKEG-UHFFFAOYSA-N
-rxn:4:201798:225333,Cc1cc(-c2ccc(COCC(F)(F)F)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,GOFPOXAEKDJESY-UHFFFAOYSA-N
-rxn:4:201798:225336,Cc1cc(-c2ccc(COCC(F)(F)F)cc2F)ccc1N1CCCC(C(=O)CC#N)C1=O,JBRUNFICAPPYEH-UHFFFAOYSA-N
-rxn:4:201798:225355,COC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c(C(F)(F)F)c1,QTDJQPMDNICGGI-UHFFFAOYSA-N
-rxn:4:201798:225358,COC(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc(C(F)(F)F)c1,DRLAEZXZZQSEDK-UHFFFAOYSA-N
-rxn:4:201798:225368,Cc1cc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)ccc1N1CCCC(C(=O)CC#N)C1=O,ZLBMSSBQHBAJMG-UHFFFAOYSA-N
-rxn:4:201798:225375,Cc1cc(-c2ccc(OC(F)(F)C(F)(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,KMPVSYQFQBKSJL-UHFFFAOYSA-N
-rxn:4:201798:225384,Cc1cc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,HEWGZLFORMNGEP-UHFFFAOYSA-N
-rxn:4:201798:225386,Cc1cc(-c2cc(F)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1N1CCCC(C(=O)CC#N)C1=O,AINDRMZMPCQYQU-UHFFFAOYSA-N
-rxn:4:201798:225424,CCCCCC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1,CRHMAKOAKACSKX-UHFFFAOYSA-N
-rxn:4:201798:225437,Cc1cc(-c2cccc(CN3CCCCC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,VZCPDIXCXHEKAL-UHFFFAOYSA-N
-rxn:4:201798:225447,Cc1cc(-c2ccc(OC3CCCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,ARGNQUSIKLOUAN-UHFFFAOYSA-N
-rxn:4:201798:225452,Cc1cc(-c2ccc(OC3C=CCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,HVPRPOXROGQCCD-UHFFFAOYSA-N
-rxn:4:201798:225453,Cc1cc(-c2cccc(SC3CCCCC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,FKRGHOWGMRXSRN-UHFFFAOYSA-N
-rxn:4:201798:225456,Cc1cc(-c2ccc(C3CCN(C)CC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,PZHDUZAIGAXGTA-UHFFFAOYSA-N
-rxn:4:201798:225472,Cc1cc(-c2cccc(N3CCCCC3C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,HSAIDFPKNDMHFV-UHFFFAOYSA-N
-rxn:4:201798:225507,COC(=O)C1CCc2cc(-c3ccc(N4CCCC(C(=O)CC#N)C4=O)c(C)c3)ccc21,CYUGZTABNCJEQL-UHFFFAOYSA-N
-rxn:4:201798:225560,Cc1cc(-c2cccc(COC3CCOC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,ZOELXSPDEJBWLL-UHFFFAOYSA-N
-rxn:4:201798:225566,Cc1cc(-c2ccc(OCC3(C)COC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,PUXKMVMNDPFVFX-UHFFFAOYSA-N
-rxn:4:201798:225584,Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,BCGRVLYJMFMICO-UHFFFAOYSA-N
-rxn:4:201798:225623,Cc1cc(-c2cccc(OC3CCOCC3)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,KHEQRAOITQDKCW-UHFFFAOYSA-N
-rxn:4:201798:225653,Cc1cc(-c2ccc(N3CCCCC3C)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,ORZPGAOWXOGZQH-UHFFFAOYSA-N
-rxn:4:201798:225712,CCOC(=O)COc1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1,OGVYPTJZFQQGEK-UHFFFAOYSA-N
-rxn:4:201798:225714,CCOCCOc1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1Cl,WJKMSKKWISTLGS-UHFFFAOYSA-N
-rxn:4:201798:225720,CCOC(=O)COc1ccccc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,GJGPCBJUTNKCRS-UHFFFAOYSA-N
-rxn:4:201798:225734,CCCCOc1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc(Cl)c1F,IWMRMCZLYOPFBF-UHFFFAOYSA-N
-rxn:4:201798:225738,CCCCOc1cc(F)c(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1F,HSEDHAYIZMAYHN-UHFFFAOYSA-N
-rxn:4:201798:225745,Cc1cc(-c2ccc(CC(C)C)c([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,YDSPLSLKPMKNDS-UHFFFAOYSA-N
-rxn:4:201798:225755,COC(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc(C2CC2)n1,OBIBKNXUVXALCA-UHFFFAOYSA-N
-rxn:4:201798:225797,Cc1cc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1N1CCCC(C(=O)CC#N)C1=O,XBRDZBLXLKLTFR-UHFFFAOYSA-N
-rxn:4:201798:225800,Cc1cc(-c2ccc(C(=O)N3CCSC3)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,QXFZTEVNROPECK-UHFFFAOYSA-N
-rxn:4:201798:225804,Cc1cc(-c2ccc(C(=O)N3CCC3)c(F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,IJVVLFSQWGLZGU-UHFFFAOYSA-N
-rxn:4:201798:225809,Cc1cc(-c2cc(F)ccc2OC2CCOC2)ccc1N1CCCC(C(=O)CC#N)C1=O,PWCQMQSBGSXVSD-UHFFFAOYSA-N
-rxn:4:201798:225823,Cc1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,NHLWXGDFKZQATR-UHFFFAOYSA-N
-rxn:4:201798:225869,Cc1cc(-c2ccc(N3CCOCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,QIKUWYWYPLFSSR-UHFFFAOYSA-N
-rxn:4:201798:225875,Cc1cc(-c2ccc(N3CCOCC3)cc2Cl)ccc1N1CCCC(C(=O)CC#N)C1=O,CMCVFSSZLFUIQJ-UHFFFAOYSA-N
-rxn:4:201798:225883,Cc1cc(-c2cnc(C3CCOCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,JQYKZHVRBNOOMM-UHFFFAOYSA-N
-rxn:4:201798:225932,Cc1cc(-c2ccc(N(C)C)c(C(F)(F)F)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,DXRNHXVSLFZUOH-UHFFFAOYSA-N
-rxn:4:201798:225943,Cc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1N1CCCC(C(=O)CC#N)C1=O,QLJOZWSVDXVIEC-UHFFFAOYSA-N
-rxn:4:201798:225979,Cc1cc(-c2cnc(N3CCOCC3)c(Cl)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,CKMXDMRZLKGXAH-UHFFFAOYSA-N
-rxn:4:201798:225985,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,QMBXGQXYHWDGRO-UHFFFAOYSA-N
-rxn:4:201798:225993,COC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc1[N+](=O)[O-],DVCIWLJNWIYKSH-UHFFFAOYSA-N
-rxn:4:201798:225995,Cc1cc(-c2cc(C#N)ccc2OC(F)(F)F)ccc1N1CCCC(C(=O)CC#N)C1=O,FHEDMKCEHRBKFT-UHFFFAOYSA-N
-rxn:4:201798:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,DJIRJFASLHVVOW-UHFFFAOYSA-N
-rxn:4:201798:225998,COC(=O)c1cc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)cc([N+](=O)[O-])c1,UETIKBGOGSWYQW-UHFFFAOYSA-N
-rxn:4:201798:225999,COC(=O)c1ccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)c(C)c2)c([N+](=O)[O-])c1,NJPUZMGYEMLVSE-UHFFFAOYSA-N
-rxn:4:201798:226001,Cc1cc(-c2ccc(OC(F)(F)F)c(C#N)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,WQYACKLULGCQTI-UHFFFAOYSA-N
-rxn:4:201798:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,TUBGEMXPLLOZMW-UHFFFAOYSA-N
-rxn:4:201798:226020,Cc1cc(-c2ccc(OC(F)(F)C(F)F)cc2)ccc1N1CCCC(C(=O)CC#N)C1=O,LFVYKVPYTNNFTB-UHFFFAOYSA-N
-rxn:4:201798:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,JGHLNZUEDCVUSA-UHFFFAOYSA-N
-rxn:4:201798:226036,COc1c(F)cc(C(F)(F)F)cc1-c1ccc(N2CCCC(C(=O)CC#N)C2=O)c(C)c1,OYKITHPMESILDK-UHFFFAOYSA-N
-rxn:4:201798:226047,Cc1cc(-c2ccc(OC(F)(F)F)c(F)c2F)ccc1N1CCCC(C(=O)CC#N)C1=O,OQZFZMAAAMXZGZ-UHFFFAOYSA-N
-rxn:4:201798:226048,Cc1cc(-c2c(F)ccc(F)c2OC(F)(F)F)ccc1N1CCCC(C(=O)CC#N)C1=O,KQHGLNYTGMHIGS-UHFFFAOYSA-N
-rxn:4:201798:226050,Cc1cc(-c2c(F)cc(OC(F)(F)F)cc2F)ccc1N1CCCC(C(=O)CC#N)C1=O,XQAVWCVQHJHWSS-UHFFFAOYSA-N
-rxn:4:201798:226052,Cc1cc(-c2c(F)ccc(OC(F)(F)F)c2F)ccc1N1CCCC(C(=O)CC#N)C1=O,AVFODFNZIAYMJQ-UHFFFAOYSA-N
-rxn:4:201798:226053,Cc1cc(-c2ccc(F)c(OC(F)(F)F)c2F)ccc1N1CCCC(C(=O)CC#N)C1=O,XHEFNJPDJFDXCW-UHFFFAOYSA-N
-rxn:4:201798:226054,Cc1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc1N1CCCC(C(=O)CC#N)C1=O,KBIBWTFRIMJPKQ-UHFFFAOYSA-N
-rxn:4:201798:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1CCCC(C(=O)CC#N)C1=O,UJDIFIGEGJSAEF-UHFFFAOYSA-N
-rxn:4:201801:223755,CC1CCN(CCCOc2ccc(-c3ccccc3N3CCCC(C(=O)C(C)C#N)C3=O)cc2F)CC1,ZUOHNFMIIAAGLG-UHFFFAOYSA-N
-rxn:4:201814:222714,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cc(NC(=O)OC(C)(C)C)cc(F)c1F,DEBVVCPKOQMWRS-UHFFFAOYSA-N
-rxn:4:201823:223755,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3C(=O)C(=Cc4ccc([N+](=O)[O-])cc4)SC3=S)cc2F)CC1,XMFLNNCMIQCVLK-UHFFFAOYSA-N
-rxn:4:201835:222583,CCN1CCN(c2cc(OC(F)F)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)CC1,COIKIWPWCHFFSD-UHFFFAOYSA-N
-rxn:4:201836:223698,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cs2)C1,WPMQTYIVJZXYLV-UHFFFAOYSA-N
-rxn:4:201837:222633,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)s2)C1,JGGPQQOUUBOFQJ-UHFFFAOYSA-N
-rxn:4:201842:224403,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,JMSBXYTYCVISLS-UHFFFAOYSA-N
-rxn:4:201844:222713,CCN1CCN(c2cc(OC(F)(F)F)cc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)c2)CC1,HLDJZEPFSULNGR-UHFFFAOYSA-N
-rxn:4:201857:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2C(=O)CCC2=O)C1,RBHSHRMVSVYPOW-UHFFFAOYSA-N
-rxn:4:201906:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,GJCGYWPRDZDVTG-UHFFFAOYSA-N
-rxn:4:201952:224686,CC(C)(C)OC(=O)c1nc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCCCC2)cc1F,DIWHVOQBZIQTLZ-UHFFFAOYSA-N
-rxn:4:201976:222684,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,AXPSFPVJUFRHMJ-UHFFFAOYSA-N
-rxn:4:201979:224073,CC[Si](CC)(CC)c1cc2cccc(-c3ccc(OC)cc3C(=O)N3CCC(N4C(=O)COC4=O)C3)c2s1,LCWIKRYIQKRQIU-UHFFFAOYSA-N
-rxn:4:201979:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,RGRIGSWAHMKFBM-UHFFFAOYSA-N
-rxn:4:201979:228680,CCCn1nc(C)cc1-c1ccc(OC)cc1C(=O)N1CCC(N2C(=O)COC2=O)C1,QFIBXTHOFJNSOX-UHFFFAOYSA-N
-rxn:4:202012:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CN5CCN(S(=O)(=O)C6CC6)CC5)cc4)c3)cccc12,RNYYNZWYLQZNKG-UHFFFAOYSA-N
-rxn:4:202013:223873,CC1CCN(C(=O)CCc2ccccc2-c2cccc(CN3CCN(S(=O)(=O)C4CC4)CC3)c2)CC1,LCXWLRAIGROJFU-UHFFFAOYSA-N
-rxn:4:202020:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)c1,MAPCHILTXUOZFZ-UHFFFAOYSA-N
-rxn:4:202027:223840,CCC(=O)N1N=C(c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1c1ccccc1,ROBAAFXZZIAFQN-UHFFFAOYSA-N
-rxn:4:202048:223508,O=C(c1cccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1)N1CCCC(Oc2ccncc2Cl)C1,CSVPYSSAOSJWAA-UHFFFAOYSA-N
-rxn:4:202062:224863,CCOC(=O)C1CCC(n2nc(C)c(-c3ccccc3CN(C(C)C)C(C)C)c2C)CC1,RXAKSYSQCPBMOZ-UHFFFAOYSA-N
-rxn:4:202096:225324,CC(C)CCn1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c(C(F)(F)F)n1,PHUJQDSMPVHZED-UHFFFAOYSA-N
-rxn:4:202097:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,XYLIFDACSICQSX-UHFFFAOYSA-N
-rxn:4:202097:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,SOFBZPFYPXLATO-UHFFFAOYSA-N
-rxn:4:202110:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc12,GAOFHLFCYMOGDU-UHFFFAOYSA-N
-rxn:4:202135:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)N4CCN(C(C)C)CC4)cc(Cl)c3OC)cc2)CC1,DGHHOYFODMKCQT-UHFFFAOYSA-N
-rxn:4:202164:222684,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(C)cc2OC)CC1,RVZTWRMDZRYQHB-UHFFFAOYSA-N
-rxn:4:202207:222540,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,SGIRFXPZAVKDRN-UHFFFAOYSA-N
-rxn:4:202223:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,CAXVIODTEDAHFE-UHFFFAOYSA-N
-rxn:4:202237:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,XGYAZQCPVHIPEA-UHFFFAOYSA-N
-rxn:4:202243:222633,CN1CCN(Cc2ccccc2C(=O)c2cccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)CC1,AFQGXCOTPLVHHU-UHFFFAOYSA-N
-rxn:4:202251:222633,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2F)CC1,IMXZKZXFRVGKID-UHFFFAOYSA-N
-rxn:4:202269:223177,CS(=O)(=O)NCc1ccc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)cc1,SHKWOBLYUUOKQT-UHFFFAOYSA-N
-rxn:4:202284:226686,COc1ccc(-c2c(C)cnn2C2CCCCO2)cc1CN1CCC(N2CCCC2)CC1,XNVARIZNOLLSTE-UHFFFAOYSA-N
-rxn:4:202297:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3OC)cc2)CC1,TWHJLTDNRURBQR-UHFFFAOYSA-N
-rxn:4:202310:222398,Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1NC(=O)NC1CC1,SPWGIHNWJNCGQE-UHFFFAOYSA-N
-rxn:4:202310:222650,Cc1ccnc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)cc2)c1,YUTPFIJRGVKBLZ-UHFFFAOYSA-N
-rxn:4:202310:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccn1)C(F)(F)F,KZZPKHYNBRDFSR-UHFFFAOYSA-N
-rxn:4:202328:228019,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C(C)=O)ccc3C)CC2)CC1,GJJYHKPSPTXTIN-UHFFFAOYSA-N
-rxn:4:202339:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4nc(S(=O)(=O)N5CCCC(C)C5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,QHJUYJNAUGTNQW-UHFFFAOYSA-N
-rxn:4:202341:223075,CC(C)N1CCN(Cc2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc(C(C)(C)C)c2)CC1,HQISMPGVLXVDPY-UHFFFAOYSA-N
-rxn:4:202347:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cnc(C5CCCN5)nc4)c2)CC3)cc1,MBUMJIICEDRPRL-UHFFFAOYSA-N
-rxn:4:202351:223636,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)cc2)CC3)ccc1F,DWZVVOSZEJURSD-UHFFFAOYSA-N
-rxn:4:202356:223255,CONC(=O)c1cccc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)c1,OAOXWUPTUUMHFK-UHFFFAOYSA-N
-rxn:4:202356:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3C)cc2)CC1,HTPQSWWOQKYPRB-KGPRPGCCSA-N
-rxn:4:202356:224727,COC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc(OC(C)(C)C)n1,FUXVBXVPKDLZAL-UHFFFAOYSA-N
-rxn:4:202356:227031,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccc(C2CC2)cc1C#N,LITSLNFQIDLNIN-UHFFFAOYSA-N
-rxn:4:202655:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1,YTRDQMYBOJNRCL-UHFFFAOYSA-N
-rxn:4:202682:225193,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2ccc(C3COCCO3)c(C#N)c2)cc1,ZUCMKMIVCWHPDA-UHFFFAOYSA-N
-rxn:4:202707:225456,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,QYGBWDXBWNBORS-UHFFFAOYSA-N
-rxn:4:202713:226844,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,AXXFBMJXTHIYBZ-UHFFFAOYSA-N
-rxn:4:202714:225876,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cc(Cl)ccc4N4CCOCC4)cc23)C1,MXXLMISFNDLIHE-UHFFFAOYSA-N
-rxn:4:202726:224420,Cc1cc2c(cc1-c1ccc3c(c1)CCN3C1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)CCC2(C)C,ZECLTPBCOVYZMS-UHFFFAOYSA-N
-rxn:4:202734:224710,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)cc(C(F)(F)F)c1,JBYOJNLMWKLSPI-UHFFFAOYSA-N
-rxn:4:202739:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4CC(=O)N(Cc5ccc(F)cc5)c5ccccc5S4(=O)=O)cc3)cc2)CC1,ZHZVMJPHVAODGZ-UHFFFAOYSA-N
-rxn:4:202745:223753,Cc1ccc(-c2ccc(C3C4C(=O)N(Cc5ccccc5)C(=O)C4ON3c3ccccc3)cc2)cc1OCCCN1CCN(C)CC1,DSXMJKQYLKSEJA-UHFFFAOYSA-N
-rxn:4:202764:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2C(=O)ON2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1,LSAPKMLGHVEMMC-UHFFFAOYSA-N
-rxn:4:202778:226499,CCn1c2c(c3cc(-c4cccn4C(=O)OC(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,FSPLEDNKWSNXGM-UHFFFAOYSA-N
-rxn:4:202792:222540,CCOc1cccc(C2c3c(oc4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc4c3=O)C(=O)N2c2cc(C)on2)c1,YUQDHHXIOAYXNB-UHFFFAOYSA-N
-rxn:4:202807:222496,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1,LUAHVERRTAOIMM-UHFFFAOYSA-N
-rxn:4:202807:222570,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1,MJNDCZKVWQALJM-UHFFFAOYSA-N
-rxn:4:202807:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,KCHJEKHNGSVIIV-UHFFFAOYSA-N
-rxn:4:202807:223079,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(S(=O)(=O)NC(C)C)c2)cc1,SYUXZNXZVAOSAW-UHFFFAOYSA-N
-rxn:4:202807:223492,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VMVOGUQZZKHODT-UHFFFAOYSA-N
-rxn:4:202807:224060,COc1c(C(C)(C)C)cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1C(C)(C)C,KYNPIGLOBOQWHW-UHFFFAOYSA-N
-rxn:4:202807:224481,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,OCUOKJKAJWQSHN-UHFFFAOYSA-N
-rxn:4:202807:224658,CC(=O)N1CCN(c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,BCWVLOZLAUQZMZ-UHFFFAOYSA-N
-rxn:4:202807:224937,CCOC(=O)C1(c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,RTIAOFVKROWLGS-UHFFFAOYSA-N
-rxn:4:202833:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(SC#N)ccc3[N+](=O)[O-])cc2F)CC1,JIKMGTLERRJPKI-UHFFFAOYSA-N
-rxn:4:203477:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(Cc4nc(C5CC5)no4)cc3)cc12,RSADQOWTSWCTHE-UHFFFAOYSA-N
-rxn:4:203478:223993,Cc1cc(-c2cnc(OC3CCOCC3)c(C#N)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GFYGEDOTISSTQU-UHFFFAOYSA-N
-rxn:4:203518:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(CC(=O)N3CCCC3)c2)CC1,BOTSPVYAWHOJBU-UHFFFAOYSA-N
-rxn:4:203544:224738,O=C(c1ccc([N+](=O)[O-])cc1-c1cc(OCC2CC2)cc(C(F)(F)F)c1)N1CCC(F)(F)C1,QPFPDLOOQRKEKR-UHFFFAOYSA-N
-rxn:4:203639:223712,COc1ccc(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,VAPHFSXVAIUSOV-UHFFFAOYSA-N
-rxn:4:203644:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccnc2OC2CCN(S(C)(=O)=O)C2)CC1,VIOTWTGPWLPXQO-UHFFFAOYSA-N
-rxn:4:203652:223493,COc1cc(N2CCC(F)(F)C2)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1[N+](=O)[O-],FZJDCCHXLPSJGX-UHFFFAOYSA-N
-rxn:4:203677:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4C(=O)CCC(C#N)=C4C)cc3)cc2)CC1,HFLUZRXYQCXQBG-UHFFFAOYSA-N
-rxn:4:203702:225570,COC(=O)c1ccc(C2CC2)c(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)c1,HIBNUENXXJYLGH-UHFFFAOYSA-N
-rxn:4:203712:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KGMTVVONXNVILE-UHFFFAOYSA-N
-rxn:4:203712:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,PBHUFHBYYVHEIW-UHFFFAOYSA-N
-rxn:4:203712:225634,Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cnc1N1CCCCC1,SQSOIZLWGVWFQV-UHFFFAOYSA-N
-rxn:4:203712:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,BNLLUBCHDBDRHZ-UHFFFAOYSA-N
-rxn:4:203738:224022,COC1CCN(C(=O)c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,IQPCXCAYNDUJQN-UHFFFAOYSA-N
-rxn:4:203766:222583,O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,TXZMSZDJKPQMJC-UHFFFAOYSA-N
-rxn:4:203766:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C=C4N=C(c5ccc([N+](=O)[O-])cc5)OC4=O)cc3)c(F)cc2C)CC1,XYHOIERQBSCTTA-UHFFFAOYSA-N
-rxn:4:203780:222657,CC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)ccc2F)CC1,YNKBVRQYCNLPDS-UHFFFAOYSA-N
-rxn:4:203816:224660,CCN1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2Cl)CC1,MGXKPUYLCMSPHG-UHFFFAOYSA-N
-rxn:4:203818:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(F)cc(C(=O)N4CCN(CC)CC4)c3)c2)CC1,WBNZEEWPNFIRPN-UHFFFAOYSA-N
-rxn:4:203833:226726,O=C(c1ccc(-c2ccccc2OCC(F)(F)F)o1)N1CCC(N2C(=O)CSC2=O)CC1,QQRZMQZLMVZFCR-UHFFFAOYSA-N
-rxn:4:203878:223951,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OCCN3CCN(C)CC3)c(F)c2)CC1,BXXYKXHODGBTEE-UHFFFAOYSA-N
-rxn:4:203881:222607,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)n2)CC1,ZPLCNRCUVQCQMB-UHFFFAOYSA-N
-rxn:4:203881:224009,COc1ccc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCOCC1,BVOIGHFGPLVWQQ-UHFFFAOYSA-N
-rxn:4:203881:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1,PMCFRCNPSWWQLA-UHFFFAOYSA-N
-rxn:4:203885:224782,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,KJIMAWKTHQQDCU-UHFFFAOYSA-N
-rxn:4:203889:224590,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1N1CCN(C)CC1,SUMUYDJBYSAYTB-UHFFFAOYSA-N
-rxn:4:203895:224325,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,OVYFOIMWIKKSPB-UHFFFAOYSA-N
-rxn:4:203914:226794,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(C(F)(F)F)c2)CC1,STDBKPVQPHBKEQ-UHFFFAOYSA-N
-rxn:4:203952:224485,CC(=O)N1CCCC(Cc2cncc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,WKMAUQAQZHBARD-UHFFFAOYSA-N
-rxn:4:203954:224656,COc1ccc(-c2cnccc2OC2CCN(C3CCCC3)C2)c(F)c1OC1CCCC1,LNGBGWGNTALJRI-UHFFFAOYSA-N
-rxn:4:203985:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COC2=O)CC1,GJKAWXRJIGPQEG-UHFFFAOYSA-N
-rxn:4:203985:228100,CCCn1nc(C)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1C,ZBIVGDWRGBVKPM-UHFFFAOYSA-N
-rxn:4:203987:227347,CC(C)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c(Cl)c1,UIYBGDSLXFJPSI-UHFFFAOYSA-N
-rxn:4:204013:223753,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N(C)C)CC2)cc1OCCCN1CCN(C)CC1,BFJQELPMAWPAHY-UHFFFAOYSA-N
-rxn:4:204026:225223,CC1CCN(c2cc(F)c(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cn2)CC1,WRGKURBMFGVNHZ-UHFFFAOYSA-N
-rxn:4:204069:223571,Cc1cc(-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)ccc1C(=O)N1CCC(N(C)C)CC1,WCMOPXWRAFELOG-UHFFFAOYSA-N
-rxn:4:204078:222638,Cc1ccc(C2CC(c3ccc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cc3)=NN2S(C)(=O)=O)cc1,FVCUYXNVABOMNR-UHFFFAOYSA-N
-rxn:4:204098:224750,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)CC1,RIUNAFFOFDASNI-UHFFFAOYSA-N
-rxn:4:204117:226545,CCCOc1c(Cl)ccc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1F,SVSDZIBFPAOWTJ-UHFFFAOYSA-N
-rxn:4:204130:224666,CN1CCN(Cc2cc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)ccc2F)CC1,CDICQLBYFBZUJX-UHFFFAOYSA-N
-rxn:4:204163:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC45CCCCC5)cc3)c(F)c2)CC1,AAJSJCLJYWWUPR-UHFFFAOYSA-N
-rxn:4:204184:225975,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccnc(N2CCOCC2)c1Cl,ZVRDLHMDJOLUQZ-UHFFFAOYSA-N
-rxn:4:204528:222424,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)C(=S)N21,YNIJPJJYZJWVOE-UHFFFAOYSA-N
-rxn:4:204551:225035,COC(=O)C1C2CCC1CN(c1nc(-c3cc(F)ccc3OC3CCCCC3)cs1)C2,QDHDKIMKKVHOBV-UHFFFAOYSA-N
-rxn:4:204585:222867,CC(C)(C)OC(=O)Nc1ccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,UNISZLASGFMSSD-UHFFFAOYSA-N
-rxn:4:204596:222675,COc1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)ccc1NC(=O)OC(C)(C)C,QUAZEKZERAMGDJ-UHFFFAOYSA-N
-rxn:4:204653:226595,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4ccc(Cl)c(OC(C)C)c4F)cc32)SC1=S,BGVZRWDTEMXUOD-UHFFFAOYSA-N
-rxn:4:204681:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CC2(C)C,XMNGXCHWCSAMIJ-UHFFFAOYSA-N
-rxn:4:204681:224128,CN(C(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1)C1CCCCC1,QVMKWVFSZXDLRL-UHFFFAOYSA-N
-rxn:4:204683:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,ZSFSLUSBEXQGFR-UHFFFAOYSA-N
-rxn:4:204700:225223,CC1CCN(c2cc(F)c(-c3ccc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)o3)cn2)CC1,ALZPGNQUPWFHFN-UHFFFAOYSA-N
-rxn:4:204723:227045,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(SC(C)(C)C)c2)cc1,BZSYWOLUZHHIHY-UHFFFAOYSA-N
-rxn:4:204725:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(c4ccc5c(c4)CCO5)C3)c2)c1,IDMHIIKNXXSQQT-UHFFFAOYSA-N
-rxn:4:204751:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)c2)cc1,LCAUWJBCZVQAMD-UHFFFAOYSA-N
-rxn:4:204752:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C(=O)N=C5SC6CS(=O)(=O)CC6N5c5ccccc5)cc4)c3)cccc12,WGZQIKZGHUHSNO-UHFFFAOYSA-N
-rxn:4:204759:223895,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(Cc3ccc(N(C)C)cc3)C(=O)CO4)cc2)CC1,YZENESYFEFRWRL-UHFFFAOYSA-N
-rxn:4:204775:224736,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(C(F)(F)F)cc3OCC(C)C)ccc21,VISUSPLUPDAVLY-UHFFFAOYSA-N
-rxn:4:204781:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c1,DMJRTZIMUOXFRE-UHFFFAOYSA-N
-rxn:4:204799:222808,CC(C)NC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)cc([N+](=O)[O-])c1,FJMJSWCLDKBWSU-UHFFFAOYSA-N
-rxn:4:204799:223979,O=C(C1=CN(c2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,YTBFSRMFSDVWGN-UHFFFAOYSA-N
-rxn:4:204805:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4C=C(C(=O)N5CCOCC5)S(=O)(=O)c5ccccc54)cc3)cn2)CC1,XBLSOPVENWHLTF-UHFFFAOYSA-N
-rxn:4:204809:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,OGEAIJKTASRMIR-UHFFFAOYSA-N
-rxn:4:204816:222935,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)ccc21,JETZTRKGOASJMC-UHFFFAOYSA-N
-rxn:4:204841:223895,CCN1CCN(CCOc2ccc(-c3ccc4nc(N5CCCCC5)c(C(C)=O)c(-c5ccccc5)c4c3)cc2)CC1,GJCLQUYCCADISC-UHFFFAOYSA-N
-rxn:4:204845:223753,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3F)C3CS(=O)(=O)CC32)c1,AQSUNBRUNKYWAZ-UHFFFAOYSA-N
-rxn:4:204946:222935,Cc1ccc(N2C(=O)N(C(=O)c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)o3)C3CC2(C)Oc2ccccc23)cc1,JXILBEYSEIOFLV-UHFFFAOYSA-N
-rxn:4:204963:223492,Cc1cc(-c2nc(CC#N)cs2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MZPGVVKTKJCQCJ-UHFFFAOYSA-N
-rxn:4:206402:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(CN3CCOCC3=O)c2)CC1,ATFIBORUMZUZKH-UHFFFAOYSA-N
-rxn:4:206436:222584,O=C(c1cnc(Cl)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCOCC1,BISHXMGREFBRNS-UHFFFAOYSA-N
-rxn:4:206437:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCSCC4)cnc3Cl)c(F)c2)CC1,GBBWJZRDNFNJKR-MXVIHJGJSA-N
-rxn:4:206451:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)F)C3)c(F)c2)CC1,KEIRQNMBFAIIEM-UHFFFAOYSA-N
-rxn:4:206489:223748,COc1nc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cn1C1CCCCO1,QOFGIRTVTDMLTQ-UHFFFAOYSA-N
-rxn:4:206516:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cn1,WPUSSIMLHFACDG-UHFFFAOYSA-N
-rxn:4:206607:223712,COc1ccc(-c2cc(C(=O)N3CCCCC3)cnc2Cl)cc1C12CC3CC(CC(C3)C1)C2,KLTKUOHSWFBJFH-UHFFFAOYSA-N
-rxn:4:206651:224756,O=C(c1ccc(F)cc1-c1cnc(C(=O)N2CCC(F)(F)CC2)c(Cl)c1)N1CCOCC1,HMQBJUUSPGHJHK-UHFFFAOYSA-N
-rxn:4:206676:223712,COc1ccc(-c2ccc(CN3CCN(C)CC3)o2)cc1C12CC3CC(CC(C3)C1)C2,NSFHIEFNHGCARB-UHFFFAOYSA-N
-rxn:4:206706:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCOC(C)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,FHIQOSHUMHCUNW-UHFFFAOYSA-N
-rxn:4:206718:223687,Cc1cc(C(=O)N2CCOCC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,WIRDIZNUSVSQGS-UHFFFAOYSA-N
-rxn:4:206729:223490,Cc1ccc(-c2cccc(N3CCC(C(F)(F)F)CC3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UZBNUUSOCSEVFF-UHFFFAOYSA-N
-rxn:4:206730:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCC(C(F)(F)F)C4)n3)cc2)CC1,LIOQYNRWNZYBEV-UHFFFAOYSA-N
-rxn:4:206730:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCCC(C(F)(F)F)C4)n3)cc2)CC1,FGQZSGSSKOUTQV-UHFFFAOYSA-N
-rxn:4:206737:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,GNTIQZCOZTYWBC-UHFFFAOYSA-N
-rxn:4:206737:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)C1,QJIIBASNUQEFNA-UHFFFAOYSA-N
-rxn:4:206739:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCCC(C(F)(F)F)C3)c2)CC1,YDZQBLWYYJGVTH-UHFFFAOYSA-N
-rxn:4:206739:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCCC(C(F)(F)F)C3)cc2)CC1,JRIUGNGLPJGAJW-UHFFFAOYSA-N
-rxn:4:206739:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCCC(C(F)(F)F)C3)c2)CC1,CJYTWYRHRRBORI-UHFFFAOYSA-N
-rxn:4:206739:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCCC(C(F)(F)F)C3)cc2)CC1,BFDBPMONAQQIEK-UHFFFAOYSA-N
-rxn:4:206759:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)c2)CC1,KULCLFMCSJDTOU-UHFFFAOYSA-N
-rxn:4:206761:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)c2)CC1,JDYYKWNRHRLBQS-UHFFFAOYSA-N
-rxn:4:206767:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(N2CCCC(F)(F)C2)c([N+](=O)[O-])cc1F,QUAUUBXHLNLRFX-UHFFFAOYSA-N
-rxn:4:206793:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc2)CC1,KVEFDSGUNGUJOK-UHFFFAOYSA-N
-rxn:4:206818:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4C(=O)C(=Cc5ccccn5)SC4=S)cc3)cc2F)CC1,TWNZMKQOZPDVLT-UHFFFAOYSA-N
-rxn:4:206842:222514,COc1ccc(-c2ccccc2C(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC1CCCCC1,RPKYIILJRHTCDV-UHFFFAOYSA-N
-rxn:4:206863:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)cc(C(=O)N4CCN(C)CC4)c3)c2)CC1,DDHSIVGHLCIEEK-UHFFFAOYSA-N
-rxn:4:206911:223845,CCC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,SUONFQLDMYWIKC-UHFFFAOYSA-N
-rxn:4:206954:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCCCC3)cc2)CC1,ANANUIHLXAHNAB-UHFFFAOYSA-N
-rxn:4:206957:223895,CCN1CCN(CCOc2ccc(-c3cncc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,GLJBBISAGWRSKP-UHFFFAOYSA-N
-rxn:4:206978:222826,CC1CCN(c2ncc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,PPLRWGHXJYUEEA-UHFFFAOYSA-N
-rxn:4:206979:223818,CN1CCN(c2ccc(C(F)(F)F)cc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,AUJBKHQAKZPMEE-UHFFFAOYSA-N
-rxn:4:206981:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)CC1,QKEUXEUYCMQZJD-UHFFFAOYSA-N
-rxn:4:207062:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,VEUVTNOHNQXXDC-UHFFFAOYSA-N
-rxn:4:207073:222465,CN1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c(C3CC3)c2)CC1,OEYDWZXJLWKQFQ-UHFFFAOYSA-N
-rxn:4:207075:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4csc(N5CCC(C)CC5)n4)cc3)c(F)cc2C)CC1,KFBXRONZMWFQJA-UHFFFAOYSA-N
-rxn:4:207082:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1,GGRUOUFUMAGFKY-UHFFFAOYSA-N
-rxn:4:207085:225232,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,HPPLWZKIUCLQIT-UHFFFAOYSA-N
-rxn:4:207390:223712,CCn1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12COCC1O2,URHMHKVTRQKFRY-UHFFFAOYSA-N
-rxn:4:207685:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)c3ncn(C4CCCCO4)c3c2)c(C(F)(F)F)c1,GCQLZLWYMMGRKV-UHFFFAOYSA-N
-rxn:4:207779:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CCCCC1,JGXNOJDINVBKDB-UHFFFAOYSA-N
-rxn:4:207786:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN(c2ccc(S(N)(=O)=O)cc2)C(=O)CO3)c1,ZUFFTHPJGFKDOP-UHFFFAOYSA-N
-rxn:4:207813:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c4ccccc34)c2)CC1,FATFGQZSMGUMIB-UHFFFAOYSA-N
-rxn:4:207846:224743,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)ccc21,XYMKYUHGVCQZQL-UHFFFAOYSA-N
-rxn:4:210681:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,YDDAHCDCHPGLKI-UHFFFAOYSA-N
-rxn:4:211101:224489,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(F)ccc4CN(C(C)C)C(C)C)ccc2OC32CCC(C)CC2)cc1,NCKVBOWMWNTPDN-UHFFFAOYSA-N
-rxn:4:211101:226446,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCOC5)nc4C)ccc2OC32CCC(C)CC2)cc1,BCGXPHQLWUFIID-UHFFFAOYSA-N
-rxn:4:212568:222551,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(F)cc(C(=O)NCc3ccccc3)c2)cc1,UTSNYLRCOPCUAY-UHFFFAOYSA-N
-rxn:4:212568:222602,CC(C)Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1,HBTDNYUMNXPHAE-UHFFFAOYSA-N
-rxn:4:212568:222614,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc1,MMDLTBOMZNALGH-UHFFFAOYSA-N
-rxn:4:212568:222705,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1,UFTVDCSPBLBCPP-UHFFFAOYSA-N
-rxn:4:212568:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,KYFLVCIPCOTZEM-UHFFFAOYSA-N
-rxn:4:212568:223676,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2F)cc1,TUSNVIQJYXENIM-UHFFFAOYSA-N
-rxn:4:212568:223825,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)cc1,YNNSSQCLBWMKTG-UHFFFAOYSA-N
-rxn:4:212568:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(C(F)(F)F)c1,VCDRDLMHZGVHCB-UHFFFAOYSA-N
-rxn:4:212568:223966,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1,YZSXNMCFDDWEAV-UHFFFAOYSA-N
-rxn:4:212568:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)C(=Cc4ccco4)N4C=CC=CC4=C(C#N)C#N)cc3)c2)CC1,OMFBVMXJAOQDDF-UHFFFAOYSA-N
-rxn:4:212568:224351,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)cc1,JYKBAQLBYPRZTO-UHFFFAOYSA-N
-rxn:4:212568:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,MYOPTBOHTYMIII-UHFFFAOYSA-N
-rxn:4:212568:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(F)c1,TTYAUSDZEMVIEG-UHFFFAOYSA-N
-rxn:4:212568:224744,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,SRCIEDVXNPYKQD-UHFFFAOYSA-N
-rxn:4:212568:225043,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC3CCCCC3)c(F)c2)cc1,ZEZHZAMECVXUKG-UHFFFAOYSA-N
-rxn:4:212568:225369,COC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c(Cl)c([N+](=O)[O-])c1,PCEXJOFYCJJMTD-UHFFFAOYSA-N
-rxn:4:212568:225387,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2F)cc1,KELKWZHRVGPKSA-UHFFFAOYSA-N
-rxn:4:212568:225774,CC(C)OC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,GVIUPNQSFYURMH-UHFFFAOYSA-N
-rxn:4:212568:225879,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCOCC3)cc2F)cc1,OFEFOVXYQZJJLM-UHFFFAOYSA-N
-rxn:4:212568:225938,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C2CC2)cc1,XATDHDFCQIAMAH-UHFFFAOYSA-N
-rxn:4:212568:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,WVHULJRLAIEKDU-UHFFFAOYSA-N
-rxn:4:212568:226001,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C#N)c2)cc1,JAGCZQISUWRKQF-UHFFFAOYSA-N
-rxn:4:212568:226056,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2c3c(cc4c2CCC4)CCC3)cc1,VAMHRBKUNPSSNZ-UHFFFAOYSA-N
-rxn:4:212568:226250,CCCCOc1ccc(Cl)c(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1,DDZVFJGWSPVMTA-UHFFFAOYSA-N
-rxn:4:212568:226326,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C3(C#N)CC3)c2F)cc1,LETDEWDRDVPROO-UHFFFAOYSA-N
-rxn:4:212568:226545,CCCOc1c(Cl)ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)c1F,QXTQUAVLTUIYOX-UHFFFAOYSA-N
-rxn:4:212568:226578,CN(C)C(=O)c1ccc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc1Cl,QGDABMYHNFEJIQ-UHFFFAOYSA-N
-rxn:4:212568:227020,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C#CC3CC3)c2)cc1,AWPZZYCKEHWVIU-UHFFFAOYSA-N
-rxn:4:212568:227119,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(C3CCCCC3)cs2)cc1,DGRCRNIDPAMTNE-UHFFFAOYSA-N
-rxn:4:212568:227656,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cc(N3CCOCC3)cs2)cc1,KOXULETXKFWDOE-UHFFFAOYSA-N
-rxn:4:212568:227665,Cc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1C(F)(F)F,TTYHWOFCURDAIF-UHFFFAOYSA-N
-rxn:4:212568:227671,Cc1cccc(C(F)(F)F)c1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,GJIIJWRYSBPXGT-UHFFFAOYSA-N
-rxn:4:212568:227752,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2F)cc1,YCXWYFXAGLYRTM-UHFFFAOYSA-N
-rxn:4:212568:227753,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2Cl)cc1,BWBOFLJWYMBVKM-UHFFFAOYSA-N
-rxn:4:212568:227791,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(Cl)c(C(F)(F)F)c2)cc1,HXJRCWLTMQHOLQ-UHFFFAOYSA-N
-rxn:4:212577:222714,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4cc(NC(=O)OC(C)(C)C)cc(F)c4F)cn3)C2)c1,QXPPUDUBZPGGJU-UHFFFAOYSA-N
-rxn:4:212581:225723,CN(C)CCOc1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl,UGUIPUSQHZYFKN-UHFFFAOYSA-N
-rxn:4:212582:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCN=C5SCc5ccc([N+](=O)[O-])cc5)cc4)c3)cccc12,ZLAKADZYFZGBTN-UHFFFAOYSA-N
-rxn:4:212582:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)cc3)c2)CC1,FXWKHLPKYQXZJV-UHFFFAOYSA-N
-rxn:4:212584:223072,CCCNS(=O)(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,JMVJUKNTUBRATG-UHFFFAOYSA-N
-rxn:4:212587:224320,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCCCC5)ccc4C)cn3)C2)cc1,KRCUCIBSFKXIIR-UHFFFAOYSA-N
-rxn:4:212600:224805,CCOC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)COc4ccccc4)C3)nc2)cc(C(F)(F)F)c1,HCSDNJQICFXEHE-UHFFFAOYSA-N
-rxn:4:212615:223945,O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1,KGLGMCSFOBLNSH-UHFFFAOYSA-N
-rxn:4:212616:224775,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c1,BFJGUGMZVXGLHV-UHFFFAOYSA-N
-rxn:4:212630:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,PRNGRANLQQAANH-UHFFFAOYSA-N
-rxn:4:212631:226258,CCCOC(=O)c1cccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,PJKOOZCAUNNJIF-UHFFFAOYSA-N
-rxn:4:212637:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,ABYJYSQCZKDBCC-UHFFFAOYSA-N
-rxn:4:212649:225898,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,DINZRCDOOCXRAA-UHFFFAOYSA-N
-rxn:4:212649:225977,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,NMRVCNXNIPXTBF-UHFFFAOYSA-N
-rxn:4:212650:225877,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,JDUQEZIUJVFFMM-UHFFFAOYSA-N
-rxn:4:212656:223279,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)c1,PZTNWINCSCZLLX-UHFFFAOYSA-N
-rxn:4:212660:222796,COc1cccc(CN2CCC(COc3ncc(-c4cc(S(=O)(=O)NC(C)(C)C)ccc4C)cn3)CC2)c1,BWZGAKFAEOPPBR-UHFFFAOYSA-N
-rxn:4:212677:223812,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)CC2)nn1,IMJVKEXLBSGAHU-UHFFFAOYSA-N
-rxn:4:212678:223604,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2)nc1,ARPGKSXBZRFYDH-UHFFFAOYSA-N
-rxn:4:212680:225009,Cc1cnc(OC2CCCCC2)c(-c2cc(F)ccc2CC(=O)N2CCC(COc3ccc(C)nn3)CC2)c1,YRLIBAMYXKCQAM-UHFFFAOYSA-N
-rxn:4:212685:224218,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ccc(OCc5ccccc5)c4F)cc3)CC2)c([N+](=O)[O-])c1,GLIYYKOIKLKKLB-UHFFFAOYSA-N
-rxn:4:212700:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3cnc(SCC(=O)N4CCN(c5ccc(F)cc5)CC4)o3)cc2)cc1,BEHNSQYMYFYUBG-UHFFFAOYSA-N
-rxn:4:212704:222976,Cc1cc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(=O)NC1CC1,YZXIJJNAAZONHF-UHFFFAOYSA-N
-rxn:4:212726:224414,Cc1ccc(-n2c(-c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)cnc2SCC(=O)N2CCCCC2)cc1,NGVBGDUSWVHEOA-UHFFFAOYSA-N
-rxn:4:212736:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)ccc2F)cc1,WHCHPIPBEQPKBY-UHFFFAOYSA-N
-rxn:4:212736:222504,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NCc4ccc(F)cc4)c3)cc2N2CCCC2)CC1,CBIJBESFGUJSQD-UHFFFAOYSA-N
-rxn:4:212736:222562,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4cccc(Cl)c4)c3)cc2N2CCCC2)CC1,UANSXQSMMDVTBQ-UHFFFAOYSA-N
-rxn:4:212736:222684,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2N2CCCC2)CC1,KIERRTOYKQFPKT-UHFFFAOYSA-N
-rxn:4:212736:222739,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(NCc4cccc(F)c4)cc3)cc2N2CCCC2)CC1,LRRYQUVFHVYPFB-UHFFFAOYSA-N
-rxn:4:212736:222748,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc2N2CCCC2)CC1,XVTUTFYEFNMROY-UHFFFAOYSA-N
-rxn:4:212736:222766,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)Nc4cccnc4)c3)cc2N2CCCC2)CC1,RQJVJCYBFNBHGD-UHFFFAOYSA-N
-rxn:4:212736:222771,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cc2N2CCCC2)CC1,LAYKFMDXTJCWAZ-UHFFFAOYSA-N
-rxn:4:212736:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,SBENIJGWFQQUPO-UHFFFAOYSA-N
-rxn:4:212736:222861,CCCCNC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,IEGAOKLPBZUFBO-UHFFFAOYSA-N
-rxn:4:212736:222869,CC(C)CNC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,VLUGQSWQFLHXDB-UHFFFAOYSA-N
-rxn:4:212736:222902,COC(=O)CNC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,QVFXBOLVEODOSY-UHFFFAOYSA-N
-rxn:4:212736:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,QABBJFJDGOIEEV-UHFFFAOYSA-N
-rxn:4:212736:223041,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)NC4CC4)ccc3F)cc2N2CCCC2)CC1,UCASQILELYAHKM-UHFFFAOYSA-N
-rxn:4:212736:223047,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(C(=O)NC4CC4)c3)cc2N2CCCC2)CC1,VOWHTDVEHVBMAD-UHFFFAOYSA-N
-rxn:4:212736:223120,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NC4CC4)c3)cc2N2CCCC2)CC1,MANZYMAJFUDLDU-UHFFFAOYSA-N
-rxn:4:212736:223162,CNC(=O)c1ccc(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,KQZWOIDGTXZDAK-UHFFFAOYSA-N
-rxn:4:212736:223178,CONC(=O)c1ccc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,GFXZPDYHPMGKLN-UHFFFAOYSA-N
-rxn:4:212736:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,DTPVMGPCEKFIPQ-UHFFFAOYSA-N
-rxn:4:212736:223255,CONC(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,VBUUZVRUIQPUOJ-UHFFFAOYSA-N
-rxn:4:212736:223264,CNC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,AUDABOOVZQIKRV-UHFFFAOYSA-N
-rxn:4:212736:223426,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(/C=N/O)c3)cc2N2CCCC2)CC1,PFPZHJOKUSIARR-TURZUDJPSA-N
-rxn:4:212736:223485,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2N2CCCC2)CC1,GJKFQPRGPQUJEO-UHFFFAOYSA-N
-rxn:4:212736:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)cc2)CC1,NXRGRCROGHMHMW-UHFFFAOYSA-N
-rxn:4:212736:223646,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2N2CCCC2)CC1,URFSTVQCXRECNP-UHFFFAOYSA-N
-rxn:4:212736:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)s2)CC1,YOTZFHUETGFLRI-UHFFFAOYSA-N
-rxn:4:212736:223755,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)cc2F)CC1,GQNNYPJLYSJOKD-UHFFFAOYSA-N
-rxn:4:212736:223784,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)cc2F)CC1,SGDMUHUCWSMIEL-UHFFFAOYSA-N
-rxn:4:212736:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)cc2Cl)CC1,GEMDBIPILPPDTH-UHFFFAOYSA-N
-rxn:4:212736:223867,CC1CCN(CCCOc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)c2)CC1,VCJLRZBEQUDCRF-UHFFFAOYSA-N
-rxn:4:212736:224079,Cc1ccc2nc(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(N5CCCC5)c4)cc3)cn2c1,DPXRSOFTGRGJPB-UHFFFAOYSA-N
-rxn:4:212736:224084,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCc4cccc(C#N)c4)cc3)cc2N2CCCC2)CC1,MWMHZBKBBKAXML-UHFFFAOYSA-N
-rxn:4:212736:224822,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(-c4cncs4)cc(C(F)(F)F)c3)cc2N2CCCC2)CC1,KQURWEMLRFAAGC-UHFFFAOYSA-N
-rxn:4:212736:224825,CON(C)C(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)cc([N+](=O)[O-])c1,LYKJXLATXISCLI-UHFFFAOYSA-N
-rxn:4:212736:225020,COc1cccc(-c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)c2)c1,NADYRGVGMIOVLH-UHFFFAOYSA-N
-rxn:4:212736:225024,COc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)cn2)cc1,HOVGKRBNFZWHGR-UHFFFAOYSA-N
-rxn:4:212736:225134,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4cccc(C#N)c4)nc3)cc2N2CCCC2)CC1,KOKMZOHWOJYKNS-UHFFFAOYSA-N
-rxn:4:212736:225330,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)cc(C(=O)OC)n1,IYCHICXUKHMNQI-UHFFFAOYSA-N
-rxn:4:212736:225474,Cc1cccc(-c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCC4)c3)c2)c1,YZZJGLRPYPTWLQ-UHFFFAOYSA-N
-rxn:4:212736:225697,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-c4ccc(F)cc4)c3)cc2N2CCCC2)CC1,QKIYZBJDTBAFMZ-UHFFFAOYSA-N
-rxn:4:212736:225755,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)cc(C2CC2)n1,YAJDKNIRVCEYDI-UHFFFAOYSA-N
-rxn:4:212736:225866,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(-n4ccccc4=O)c3)cc2N2CCCC2)CC1,CRGIYNWHYJALBA-UHFFFAOYSA-N
-rxn:4:212736:226420,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2N2CCCC2)CC1,KNBWKTOLZSWLQM-UHFFFAOYSA-N
-rxn:4:212736:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCC2)c1,DTIGMCFOAUKQRX-UHFFFAOYSA-N
-rxn:4:212736:226720,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c(OC)cn1,XRILGPZXJFXGCS-UHFFFAOYSA-N
-rxn:4:212736:226904,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c2ccccc12,OCNDDOGHGCUUJS-UHFFFAOYSA-N
-rxn:4:212736:227911,CCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)cc1C#N,WQMXXSDSZPYQSC-UHFFFAOYSA-N
-rxn:4:212736:228548,CCCc1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)c1,AKXSCQSZIYAKFK-UHFFFAOYSA-N
-rxn:4:212738:222807,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cc2N2CCOCC2)CC1,XUHXIVMIQWFNTM-UHFFFAOYSA-N
-rxn:4:212738:223798,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)cc2N2CCOCC2)CC1,PAUKPGCMVACJOK-UHFFFAOYSA-N
-rxn:4:212738:227444,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CCCO4)c3)cc2N2CCOCC2)CC1,LSRQMKQNHMWZER-UHFFFAOYSA-N
-rxn:4:212761:225354,CCOc1cc(-c2ccc(C(=O)N=c3sc4cc(S(N)(=O)=O)ccc4n3CC(=O)OC)s2)cc(C(F)(F)F)c1F,MDHQSEYLWYVMMN-UHFFFAOYSA-N
-rxn:4:212768:223175,CCOC(=O)c1nc(-c2cccc(NS(=O)(=O)CC)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,NTBCOYGKWIIDAZ-UHFFFAOYSA-N
-rxn:4:212782:224178,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cccc(OCCN3CCN(C)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,CVPPSPONNRLJPO-UHFFFAOYSA-N
-rxn:4:212791:226844,CCOC(=O)c1nn2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CN(C(=O)OC(C)(C)C)CCC2,MRPAMESTGGIWCK-UHFFFAOYSA-N
-rxn:4:212833:224196,CCN1CCN(Cc2cc(F)cc(-c3ccccc3C(=O)N(CCN3CCOCC3)c3nc4cc(C)cc(C)c4s3)c2)CC1,JLSBBSVQDSCOHC-UHFFFAOYSA-N
-rxn:4:212839:223226,CCC(=O)Nc1cccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)c1,RQOWQUUTNCGLIB-UHFFFAOYSA-N
-rxn:4:212839:227419,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CCC5)nc4F)ccn23)CC1,VSOSNSCJXGTGRA-UHFFFAOYSA-N
-rxn:4:212896:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2-c2nnc(SCC(=O)N3CCCC3=O)o2)cc1,NCTDJWMPFBSYJN-UHFFFAOYSA-N
-rxn:4:212923:222684,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,KWMQXRLGOPMOSG-UHFFFAOYSA-N
-rxn:4:212944:223178,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C(=O)NOC)ccc2F)CC1,QFLOMAFBTVFLSN-UHFFFAOYSA-N
-rxn:4:212966:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,UVUNXOLUVUPBJR-UHFFFAOYSA-N
-rxn:4:212973:222579,Cc1ccccc1NC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)ccc1Cl,BLHMAJPUUXRYCW-UHFFFAOYSA-N
-rxn:4:212988:226472,CN(C)CCOc1cc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)ccn1,FHJJQLVUNXYGTE-UHFFFAOYSA-N
-rxn:4:212989:222407,CCNC(=O)Nc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,IKGUEUKQSMGCGL-UHFFFAOYSA-N
-rxn:4:212989:222558,COc1ccc(NC(=O)c2cccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)cc1,GFVRYLCPFIPARP-UHFFFAOYSA-N
-rxn:4:212989:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,FPHPUZTUPCEZCK-UHFFFAOYSA-N
-rxn:4:212989:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1,MHGZNHNCEQLXMV-UHFFFAOYSA-N
-rxn:4:212989:223636,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)s2)CC1,WBJVPPBQWLAMGV-UHFFFAOYSA-N
-rxn:4:212989:226041,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)s2)CC1,DSOZZVIWQAEKCE-UHFFFAOYSA-N
-rxn:4:212989:226043,COc1c(F)cc(Cl)c(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1[N+](=O)[O-],FUISXDUNNOKYDJ-UHFFFAOYSA-N
-rxn:4:212989:227376,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cncc(N4CCCC4)c3)s2)CC1,HRYBBKSCTKRQPR-UHFFFAOYSA-N
-rxn:4:212989:228016,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(C4CCCC4)cs3)s2)CC1,MRMXOHXMWVUJQV-UHFFFAOYSA-N
-rxn:4:212997:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCC(Oc5cncc(OC)n5)C4)o3)cc2)CC1,IQYJCJRRPQWEHS-UHFFFAOYSA-N
-rxn:4:213011:225898,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,SDHMOAIVTJTERP-UHFFFAOYSA-N
-rxn:4:213037:222916,CC(C)CCN1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,FUNYHQFWYDBQQM-UHFFFAOYSA-N
-rxn:4:213052:222846,N#Cc1ccc(C2CCCNC2)cc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,SBQRUYFAIPXAJP-UHFFFAOYSA-N
-rxn:4:213053:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,FZHMZBCRCFYEBH-UHFFFAOYSA-N
-rxn:4:213053:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,MGBJQPOUNBJIJU-UHFFFAOYSA-N
-rxn:4:213054:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCC(COc5ccc(C)nn5)C4)c3)cc2)CC1,DNFCRMBHDSIVLR-UHFFFAOYSA-N
-rxn:4:213061:223895,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncccc5C#N)CC4)cc3)cc2)CC1,BXMKXHJJPZYOHB-UHFFFAOYSA-N
-rxn:4:213061:224782,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncccc5C#N)CC4)cc3)cc(F)c2F)CC1,TZGNYWPUBQTQOZ-UHFFFAOYSA-N
-rxn:4:213131:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1,UZTRZLCUIQMVPR-UHFFFAOYSA-N
-rxn:4:213131:226493,COCCOc1ccc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c(Cl)c1,VCVPGHPBIMOWOD-UHFFFAOYSA-N
-rxn:4:213140:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc([N+](=O)[O-])c2)CC1,HKCFWWNCHTYRFX-UHFFFAOYSA-N
-rxn:4:213144:223279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(C3CCCN3)nc2)CC1,XJLJECSGCLIRNI-UHFFFAOYSA-N
-rxn:4:213145:222632,Cn1c(-c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2)cnc1SCC(=O)N1CCCCC1,ZQKXKSOXSAXBRD-UHFFFAOYSA-N
-rxn:4:213147:223895,CCN1CCN(CCOc2ccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,LSSIUIGPWDWYRL-UHFFFAOYSA-N
-rxn:4:213152:223836,COc1ccc(-c2cc3c(OC)ncnc3n2C(=O)OC(C)(C)C)cc1CN1CCC(Oc2ncc(F)cn2)CC1,OGJAORUONPXUBZ-UHFFFAOYSA-N
-rxn:4:213167:222684,CC1CC(C)CN(c2oc(COc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3)nc2C#N)C1,DDBLWHBUBWTOEG-UHFFFAOYSA-N
-rxn:4:213195:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)C5CCOCC5)CC4)nc3)c(F)c2)CC1,MZGLXAIDTWWMNJ-UHFFFAOYSA-N
-rxn:4:213202:222632,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCC4)c3)CC2)nn1,OQTGXRNMSDPZOB-UHFFFAOYSA-N
-rxn:4:213213:224356,CN(c1cccc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,PEZZDJKVSFVTRP-UHFFFAOYSA-N
-rxn:4:213213:224472,CC(C)Oc1ccc2cc(-c3cccc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)n3)ccc2c1Cl,XVIXNFPUYGJDNI-UHFFFAOYSA-N
-rxn:4:213213:228466,COC(=O)c1sc(Cl)cc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,SJYQAFHTQXYTJA-UHFFFAOYSA-N
-rxn:4:213216:222415,NS(=O)(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccc1F,DINDQNAOCHMTRQ-UHFFFAOYSA-N
-rxn:4:213226:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)cc1,JHAITVXFUHJKJQ-DEOSSOPVSA-N
-rxn:4:213251:222740,CC(C)c1cc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc(C2CCCNC2)n1,MFYNQRFSXRGOHX-UHFFFAOYSA-N
-rxn:4:213265:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)cc2)CC1,XEWCZJUZUZGIKJ-UHFFFAOYSA-N
-rxn:4:213272:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)cc1,VZOONLDGPRMPCQ-UHFFFAOYSA-N
-rxn:4:213278:224818,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCSCC6)cc5)cc4)C3)n2)c1,VKWRMIVGPQFJBG-UHFFFAOYSA-N
-rxn:4:213281:225504,CCCCn1cnc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,SIZCXDFJRHUGGV-UHFFFAOYSA-N
-rxn:4:213315:223993,C#CCn1c(=NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)s2)sc2cc(S(N)(=O)=O)ccc21,ZWTZSPMBRPHFHP-UHFFFAOYSA-N
-rxn:4:213320:224691,COC(=O)c1nc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,SDFXYHLEOGZMJJ-UHFFFAOYSA-N
-rxn:4:213334:224760,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1,UGJKOSKBKLXLGT-UHFFFAOYSA-N
-rxn:4:213338:227221,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(OCCCF)c2)cc1F,UIIPFRZMPBUHNL-UHFFFAOYSA-N
-rxn:4:213355:222424,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3nn2C)C1,LXEMLIYKMWVAJU-UHFFFAOYSA-N
-rxn:4:213369:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OC4CCN(C(=O)Cc5cn(C)c6ccccc56)C4)nc3)ccc2F)CC1,XXWYMKXXGNOXTR-UHFFFAOYSA-N
-rxn:4:213370:222684,O=C(CCc1ccccc1)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc3s2)CC1,VMRJSMVHLOMKQB-UHFFFAOYSA-N
-rxn:4:213388:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccnc2c1ccn2CC1CCN(C(=O)OC(C)(C)C)CC1,CBWROFKYKTZFDM-UHFFFAOYSA-N
-rxn:4:213396:225219,CC1CCCCN1c1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)cn1,PRFIKNRWUDVQFW-UHFFFAOYSA-N
-rxn:4:213406:223895,CCN1CCN(CCOc2ccc(-c3ccc4nc(N5CCN(C(=O)c6ccccc6S(=O)(=O)CC)CC5)sc4c3)cc2)CC1,GNUBSVHNIUDMSS-UHFFFAOYSA-N
-rxn:4:213474:222633,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)ccc2-3)[nH]1,AUQXXYDSPPGXIA-UMSFTDKQSA-N
-rxn:4:213629:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1,IVAMGQDHLQXUHT-UHFFFAOYSA-N
-rxn:4:213653:226172,Cc1ccc(N2CCCC2)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,TYZMTRAOBNERKW-UHFFFAOYSA-N
-rxn:4:213653:226175,Cc1cc(N2CCCC2)ccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,XPXPRHJYCBCHER-UHFFFAOYSA-N
-rxn:4:213653:226279,Cc1cnc(OCC(C)C)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1,YYFYWGATSVRJQZ-UHFFFAOYSA-N
-rxn:4:213653:226414,O=C(c1cncc(-c2ccc(C3=NCCCO3)cc2)c1)N1CC(CN2C(=O)COC2=O)C1,IMVHIPXBLFTTKE-UHFFFAOYSA-N
-rxn:4:213696:223753,Cc1ccc(-c2ccc(C(=O)N3CCCC(Oc4cnccn4)C3)o2)cc1OCCCN1CCN(C)CC1,OLNTZGPAQFWYGH-UHFFFAOYSA-N
-rxn:4:213709:223895,CCN1CCN(CCOc2ccc(-c3cnccc3OC3CCN(C(=O)c4ccncc4F)C3)cc2)CC1,OUXQICOZZQZVOL-UHFFFAOYSA-N
-rxn:4:213754:223572,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)CC1,ZXGLVDIBBRFKTR-UHFFFAOYSA-N
-rxn:4:213765:222634,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,IDVBFZAUCUANCV-UHFFFAOYSA-N
-rxn:4:213778:222629,CCN1CCN(c2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(C(=O)OC)n2)CC1,HKYIMLZRKZHJIN-UHFFFAOYSA-N
-rxn:4:213803:225170,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(F)ccc2CN2CCOCC2)cn1,TXWLCUHLFDGKFK-UHFFFAOYSA-N
-rxn:4:213818:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)c5ccccc5)CC4)nc3)cc2F)CC1,HIIKFNKCHKPTEN-UHFFFAOYSA-N
-rxn:4:213846:225325,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc([N+](=O)[O-])c1,OTIJPXNPASOKPV-UHFFFAOYSA-N
-rxn:4:213863:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)ccc2C)CC1,NKQAKHILJIPDRV-UHFFFAOYSA-N
-rxn:4:213879:224718,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BYKKALHXIYHBHX-UHFFFAOYSA-N
-rxn:4:213894:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)c3)cccc12,CLXFXYVCOJFMTM-UHFFFAOYSA-N
-rxn:4:213895:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)c1,PSSPQKBWJCSTMU-UHFFFAOYSA-N
-rxn:4:213927:223755,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)o3)CC2)nc(C)n1,GMEULXRQJMJVOB-UHFFFAOYSA-N
-rxn:4:213940:222864,CC(C)NCCOc1ccc(-c2cnn(C)c2C2CCCN(C(=O)OC(C)(C)C)C2)cc1F,NVXQMGMPKBOXRS-UHFFFAOYSA-N
-rxn:4:213977:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,OGFMNOIROIQYHW-UHFFFAOYSA-N
-rxn:4:213983:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,UVFDDRQFMGVRDL-UHFFFAOYSA-N
-rxn:4:214000:223284,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(NS(C)(=O)=O)cc2)cc1F,AWLBBNWRHJEDFM-UHFFFAOYSA-N
-rxn:4:214001:226489,CC1CN(c2ncc(-c3ccc(OCCCF)c(Cl)c3)cc2F)CCN1C(=O)OC(C)(C)C,ZQXQALBNAQWPEU-UHFFFAOYSA-N
-rxn:4:214016:223753,Cc1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCCCC4)n3)cc2)cc1OCCCN1CCN(C)CC1,XZGTVXDQWYNOCC-UHFFFAOYSA-N
-rxn:4:214029:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,AXUPPNLUNDSOMY-UHFFFAOYSA-N
-rxn:4:214033:226350,COC(=O)c1c(C)ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1C,DWTRJDUUVKVCFX-DHIUTWEWSA-N
-rxn:4:214033:227266,CCOCc1cc(F)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,DRUGRYDFEQUZFC-DNQXCXABSA-N
-rxn:4:214033:227610,CC(C)[C@H]1COC(c2cc(-c3ccn(C4CCCCO4)n3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YDQGZBPHAGHHFV-WELAQSEPSA-N
-rxn:4:214033:227625,CC(C)[C@H]1COC(c2cc(-c3cnc(C4CCCO4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,JXPPPQPDRVJGQE-JAZPPYFYSA-N
-rxn:4:214036:222896,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)s4)cc3)=NN2S(C)(=O)=O)cc1,CZGRSWFEYWEMAT-UHFFFAOYSA-N
-rxn:4:214065:225712,CCOC(=O)COc1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1,BGPCYLVNYDJEQK-UHFFFAOYSA-N
-rxn:4:214071:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,KRNAKTOLPDVBRL-UHFFFAOYSA-N
-rxn:4:214074:223239,Cc1nn(S(=O)(=O)c2ccc(-c3cncc(C4CCCN4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,JLHOEQQTUBOXMA-UHFFFAOYSA-N
-rxn:4:214081:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cc1,PHPJKSCRFDHTOF-UHFFFAOYSA-N
-rxn:4:214084:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(-c4nc(S(=O)(=O)N5CCCN(C)CC5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,HRKYPTNLLNXPOI-UHFFFAOYSA-N
-rxn:4:214125:222703,CC(C)(C)OC(=O)n1nc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)c2cc([N+](=O)[O-])ccc21,QODRKQNWTCGZMS-UHFFFAOYSA-N
-rxn:4:214190:223775,COc1ccc2c(c1)c(-c1cccc3c1ccn3CC(=O)N1CCN(C(C)=O)CC1)cn2C(=O)OC(C)(C)C,HFTQQMGSMAMMPE-UHFFFAOYSA-N
-rxn:4:214241:223753,Cc1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1OCCCN1CCN(C)CC1,VPMVAXWKTIITFU-UHFFFAOYSA-N
-rxn:4:214258:224759,O=C(c1cc(F)cc(-c2cnc(OC3CCN(Cc4ccc5c(c4)CCO5)CC3)nc2)c1)N1CCOCC1,DMOLRVPXFQOLIE-UHFFFAOYSA-N
-rxn:4:214259:223895,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)c3)cc2)CC1,MVXFCVYQZYNPKW-UHFFFAOYSA-N
-rxn:4:214274:225568,COC(=O)C(C)(C)c1ccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,OMJOQZLXMYIATH-UHFFFAOYSA-N
-rxn:4:214298:224826,CCOC(=O)c1cc(-c2nc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c(C(C)C)s2)cnc1C(F)(F)F,VGMHRENPRSHKEV-UHFFFAOYSA-N
-rxn:4:214323:226247,CCOc1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)c(OCC)c1,GRMGVCOCQIIGRX-UHFFFAOYSA-N
-rxn:4:214347:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCCC5)cc3)n4C)cn2)CC1,OLENIKSJLCJNRA-UHFFFAOYSA-N
-rxn:4:214349:222684,O=C(c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,MBKAJIJLQUJJJK-UHFFFAOYSA-N
-rxn:4:214352:224065,CC1CCN(c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCc6ccccc65)cc3)n4C)cc(C3CC3)c2)CC1,KZQWBGSPYYDNDY-UHFFFAOYSA-N
-rxn:4:214406:223504,CCOC(=O)c1n[nH]c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,DBZAWGHLIDRVDU-UHFFFAOYSA-N
-rxn:4:214416:223504,COCCn1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,GWLQSGFEZASMFX-UHFFFAOYSA-N
-rxn:4:214540:223480,CCCc1nnc(-c2cncc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)o1,BPEISCRMCJWJKP-UHFFFAOYSA-N
-rxn:4:214617:222684,CC(C(=O)N1CCOCC1)n1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,MYXUDGCIJJCJDO-UHFFFAOYSA-N
-rxn:4:214627:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)c2)CC1,IPSSEFUTFYTOBN-UHFFFAOYSA-N
-rxn:4:214627:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,VGZCKZXHJDNQAC-UHFFFAOYSA-N
-rxn:4:214627:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCCC1,QBWXJWPYJQCGCW-UHFFFAOYSA-N
-rxn:4:214627:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)c2)C1,MJXAOJQCXCXPBW-UHFFFAOYSA-N
-rxn:4:214627:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)c1,UDQJGKCUGJXMLO-UHFFFAOYSA-N
-rxn:4:214630:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,VSTZBJLPBTYOFN-UHFFFAOYSA-N
-rxn:4:214650:222538,CN1CCCC(COc2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)C1,BELWQTMNYUBHRZ-UHFFFAOYSA-N
-rxn:4:214650:223481,CN1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cn2)C1,IRJPHQBHSMRRCN-UHFFFAOYSA-N
-rxn:4:214654:223895,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])cnc3OC3CCN(C)CC3)cc2)CC1,RTRLDKNAMPFQME-UHFFFAOYSA-N
-rxn:4:214710:224015,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)c2)CC1,FDLFZVRGZLOVMP-UHFFFAOYSA-N
-rxn:4:214719:223839,CCN1CCN(c2cc(C(F)(F)F)c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cn2)CC1,IDWNEYSPQMBGJH-UHFFFAOYSA-N
-rxn:4:214731:225223,CC1CCN(c2cc(F)c(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)cn2)CC1,GWRWRQKYLXDHHY-UHFFFAOYSA-N
-rxn:4:214734:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)c(F)c2)CC1,LKCHJGHPCUMYLA-UHFFFAOYSA-N
-rxn:4:214753:222924,Cc1ccc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)cc1S(=O)(=O)NC(C)C,CFUCXSWYSZXURS-UHFFFAOYSA-N
-rxn:4:214778:225986,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccccc3N3CCCS3(=O)=O)cn2)CC1,AZQWPDOFOFLGKP-UHFFFAOYSA-N
-rxn:4:214791:224426,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCCCC2)cc(C2CC2)c1,FPKKIBXVWMPUID-UHFFFAOYSA-N
-rxn:4:214803:222584,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCCC1,MCRNPCAOLARCGN-UHFFFAOYSA-N
-rxn:4:214819:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,VYHOLAYRSFGPDF-UHFFFAOYSA-N
-rxn:4:214832:222465,COc1ccccc1N1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,FKGNXZDMDQYESZ-UHFFFAOYSA-N
-rxn:4:214832:223696,COc1ccccc1N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,IMQIYLXWQGINQK-UHFFFAOYSA-N
-rxn:4:214837:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,JUYHBSCHZYJIMC-UHFFFAOYSA-N
-rxn:4:214838:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1OCC,NRKNHANZPRNYMG-UHFFFAOYSA-N
-rxn:4:214839:226320,N#CC1(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,QPMYWBIVSKAKPJ-UHFFFAOYSA-N
-rxn:4:214839:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,DIHXSCRMJYCNCT-UHFFFAOYSA-N
-rxn:4:214851:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cncc(C(=O)N2CCCN(C3CCC3)CC2)c1,TYGSWNDBIIKPDP-UHFFFAOYSA-N
-rxn:4:214854:226652,Cc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)n(C2CCCCO2)n1,SIYQUNGHXNNUBH-UHFFFAOYSA-N
-rxn:4:214870:225976,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccnc(N3CCOCC3)c2F)C1)N1CCOCC1,QHQCRVFLIAHZHB-UHFFFAOYSA-N
-rxn:4:215036:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)n4ccc5c(Cl)c([N+](=O)[O-])cnc54)cc3)c(F)cc2C)CC1,WNXMVIXZULCUGV-UHFFFAOYSA-N
-rxn:4:215076:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)cc2)C1,XTPZZXZZBZZIRX-UHFFFAOYSA-N
-rxn:4:215111:223753,CCn1nc(C)cc1C(=O)N1CCc2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc21,RIBVJMVYJJNONG-UHFFFAOYSA-N
-rxn:4:215142:224120,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(C)CC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,BRRDMLRRQCLMDM-UHFFFAOYSA-N
-rxn:4:215198:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)CC1,ZLZKUCKFODFCQK-UHFFFAOYSA-N
-rxn:4:215227:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccn5)C4C3=O)cc2)c1,IPYQZABQXYIGGJ-UHFFFAOYSA-N
-rxn:4:215288:225878,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc2)C1=O)C3,ZGMCACZFUANCFX-UHFFFAOYSA-N
-rxn:4:215298:224689,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc12,WPYWZAMTUFHDQY-UHFFFAOYSA-N
-rxn:4:215370:223606,[N-]=[N+]=Nc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(C(F)(F)F)c1,HKNHPRPBOPDUOR-UHFFFAOYSA-N
-rxn:4:215780:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)CC1,OXHKHPUQMJJPRE-UHFFFAOYSA-N
-rxn:4:215780:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)cc2)CC1,XGVUBWHAOSOGBY-UHFFFAOYSA-N
-rxn:4:215780:224326,Cc1cc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCCC1,OZUZJSIZLDNMSG-UHFFFAOYSA-N
-rxn:4:215780:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)C1,AGBZUEKAQQCLKL-UHFFFAOYSA-N
-rxn:4:215780:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)c1,WVKBYIIXLDJYIY-UHFFFAOYSA-N
-rxn:4:215800:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,PSRZWLVPVUSJRX-UHFFFAOYSA-N
-rxn:4:215800:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,UTSVCHZKEIHHHC-UHFFFAOYSA-N
-rxn:4:215800:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(N4CCC(C(F)(F)F)CC4)n3)c2)CC1,RMZZOQNXMLUZRQ-UHFFFAOYSA-N
-rxn:4:215800:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,DYNJNLYVQYSRCR-UHFFFAOYSA-N
-rxn:4:215801:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(N4CCCC(C(F)(F)F)C4)n3)c2)CC1,YJOKXXZIORXZQZ-UHFFFAOYSA-N
-rxn:4:215801:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCCC(C(F)(F)F)C4)n3)cc2)CC1,MJENMJNJIZOZQJ-UHFFFAOYSA-N
-rxn:4:215802:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,YNWBOYBLZQQIBB-UHFFFAOYSA-N
-rxn:4:215802:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,YTMGTNMJQRLKIE-UHFFFAOYSA-N
-rxn:4:215802:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)cc2)CC1,HQWZVHBNYOWZCJ-UHFFFAOYSA-N
-rxn:4:215802:224323,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,SVYVDGVSSPRBIO-UHFFFAOYSA-N
-rxn:4:215802:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)ccc1S(=O)(=O)N1CCCCC1,VBVWSQVXOMBHLS-UHFFFAOYSA-N
-rxn:4:215802:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)c1,NCEGIZLSWLRDPE-UHFFFAOYSA-N
-rxn:4:215802:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)cc2)CC1,HQYIPWQRCRMZMN-UHFFFAOYSA-N
-rxn:4:215829:223482,Cn1ncc(C(=O)N2CCCC(F)(F)C2)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FKCXQRKMLNTXRJ-UHFFFAOYSA-N
-rxn:4:215830:224325,Cn1ncc(C(=O)N2CCC(F)(F)CC2)c1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,UNQAMIDVTPXMGH-UHFFFAOYSA-N
-rxn:4:215832:224325,Cn1ncc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c1C(=O)N1CCC(F)(F)CC1,GHLJWDFRIFUJQK-UHFFFAOYSA-N
-rxn:4:215849:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cn(C)nc3CN3CCC(F)(F)CC3)c2)CC1,BFXDRAPWJUDFNO-UHFFFAOYSA-N
-rxn:4:215854:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccnc3C(=O)N3CCN(C)CC3)c2)CC1,QVQKTHRSRMQAEX-UHFFFAOYSA-N
-rxn:4:215861:224325,CN1CCN(C(=O)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cnc2Cl)CC1,XYDQEOMJXMCWDO-UHFFFAOYSA-N
-rxn:4:215862:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(Cl)cc3C(=O)N3CCN(C)CC3)c2)CC1,XQGZFWYSBQREIC-UHFFFAOYSA-N
-rxn:4:215862:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)cc3C(=O)N3CCN(C)CC3)cc2)CC1,IEQGDKHTYFUADL-UHFFFAOYSA-N
-rxn:4:215862:224325,CN1CCN(C(=O)c2cc(Cl)ncc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,GWUORHIIPZWWFB-UHFFFAOYSA-N
-rxn:4:215863:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCN(C)CC4)cnc3Cl)cc2)CC1,NMOILVKRTNAZED-UHFFFAOYSA-N
-rxn:4:215863:224325,CN1CCN(C(=O)c2cnc(Cl)c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,QTHNBDMGFAUWBS-UHFFFAOYSA-N
-rxn:4:215864:224325,CN1CCN(C(=O)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cnc2F)CC1,KTEOCCOBSZKMJN-UHFFFAOYSA-N
-rxn:4:215865:223572,CC1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c3ccccc23)CC1,UDMZLUARLYMKJH-UHFFFAOYSA-N
-rxn:4:215865:224321,CC1CCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c2)CC1,PDBXSEVFAPBMIR-UHFFFAOYSA-N
-rxn:4:215865:224322,CC1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)cc2)CC1,PCKFYBUCVZZBNX-UHFFFAOYSA-N
-rxn:4:215865:224325,CN1CCN(C(=O)c2ccc(F)c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)CC1,GKQRQHZIKUELNR-UHFFFAOYSA-N
-rxn:4:215866:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)c2)CC1,RABMHRCIZHHIOS-UHFFFAOYSA-N
-rxn:4:215866:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)cc2)CC1,AHJWXENHCGIYOX-UHFFFAOYSA-N
-rxn:4:215866:224325,CN1CCN(C(=O)c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,IOYDMHCXWYONHH-UHFFFAOYSA-N
-rxn:4:215867:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)c2)CC1,LCQSWWXKXQENJC-UHFFFAOYSA-N
-rxn:4:215867:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,HUIHOKGXMLWBRC-UHFFFAOYSA-N
-rxn:4:215868:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,DBIIMEXMBNMLDD-UHFFFAOYSA-N
-rxn:4:215889:223482,CN1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2[N+](=O)[O-])CC1,TXQOTANOATZXTI-UHFFFAOYSA-N
-rxn:4:215891:223753,Cc1ccc(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1OCCCN1CCN(C)CC1,CRDPDQAWHYFOGK-UHFFFAOYSA-N
-rxn:4:215904:222583,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,WGCBHXUEVYFNDS-UHFFFAOYSA-N
-rxn:4:215906:224378,CN1CCN(S(=O)(=O)c2cncc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,FJYJPIFNKRXQTK-UHFFFAOYSA-N
-rxn:4:215907:224378,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,SFOMHBNWVZWEET-UHFFFAOYSA-N
-rxn:4:215909:223531,CN1CCN(c2cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1,OMMPXUGJJPVZAI-UHFFFAOYSA-N
-rxn:4:215912:224658,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,QNKGEODKEXHCNU-UHFFFAOYSA-N
-rxn:4:215913:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)cc2)CC1,DLTRSLYNFQYGEB-UHFFFAOYSA-N
-rxn:4:215913:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)c2)C1,FWRANOOZGZQJBV-UHFFFAOYSA-N
-rxn:4:215913:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCN(C)CC3)c(C(F)(F)F)c2)c1,GVFIEPGJWJOIPZ-UHFFFAOYSA-N
-rxn:4:215914:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)ccc1S(=O)(=O)N1CCCCC1,WCEPCSZRHWRWMO-UHFFFAOYSA-N
-rxn:4:215937:224325,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,YLMFTFROQOAOSA-UHFFFAOYSA-N
-rxn:4:215939:224325,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,MDWURINGRFKGOB-UHFFFAOYSA-N
-rxn:4:215940:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCC(N(C)C)CC4)cn3)c2)CC1,OEOMEQXMQLPNCA-UHFFFAOYSA-N
-rxn:4:215943:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccnc(N2CCC(N(C)C)CC2)c1,VAMAVIWMAKTDAO-UHFFFAOYSA-N
-rxn:4:215944:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(N4CCC(N(C)C)CC4)n3)c2)CC1,NQXMHYVTJLFWSZ-UHFFFAOYSA-N
-rxn:4:215945:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(N4CCC(N(C)C)CC4)ccn3)c2)CC1,OKUCNJBYQMKYTR-UHFFFAOYSA-N
-rxn:4:215953:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,WLGUKTUUMZCJJB-UHFFFAOYSA-N
-rxn:4:215953:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)c2)CC1,KWKMTHYYJITNNN-UHFFFAOYSA-N
-rxn:4:215955:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,GNTSHFUWFGWYMY-UHFFFAOYSA-N
-rxn:4:215957:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccnc3N3CCC(N(C)C)CC3)c2)CC1,PHJAHQILJBYBPR-UHFFFAOYSA-N
-rxn:4:215984:222896,CN1C(=O)C(=Cc2cccn2-c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)C(=O)N(C)C1=O,JVWOUPPSKGAWNN-UHFFFAOYSA-N
-rxn:4:215984:224398,Cc1cc(F)c(-c2ccc(-n3cccc3C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1S(=O)(=O)N1CCCC1,WLIUJXSBUKTMBU-UHFFFAOYSA-N
-rxn:4:215985:226844,CN1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,MKUFNVUKWLWYNZ-UHFFFAOYSA-N
-rxn:4:215989:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c1,JOHOQZHPRPGACG-UHFFFAOYSA-N
-rxn:4:216319:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,YLLCDRNUSWSBOS-UHFFFAOYSA-N
-rxn:4:216319:225825,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)nc4)ccc3S2(=O)=O)n1,HEGIYYXMCFNHOJ-UHFFFAOYSA-N
-rxn:4:216319:225827,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccnc(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,SDJAUYFUEUHMBQ-UHFFFAOYSA-N
-rxn:4:216319:226662,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)s4)ccc3S2(=O)=O)n1,SGQIKFPEAFASOD-UHFFFAOYSA-N
-rxn:4:216356:223564,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)c(COc5cc(OC)cc(OC)c5)c(C)c4)ccc2OC32CCN(C)CC2)cc1,HBIRIRCAVNYMKK-UHFFFAOYSA-N
-rxn:4:216356:223892,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN5CCN(C)CC5)cc4)ccc2OC32CCN(C)CC2)cc1,PQVKKIHVZJNVLA-UHFFFAOYSA-N
-rxn:4:216356:224977,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5)c(C#N)c4)ccc2OC32CCN(C)CC2)cc1,AXSRAZULJPOZNF-UHFFFAOYSA-N
-rxn:4:216356:225292,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)ccc2OC32CCN(C)CC2)cc1,SPBOWFLRHPZTHC-UHFFFAOYSA-N
-rxn:4:216356:226994,CCCOc1ccc(C)cc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,YJDCMNPXCVHMLJ-UHFFFAOYSA-N
-rxn:4:216356:227404,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(N5CCCCC5)cs4)ccc2OC32CCN(C)CC2)cc1,HBQILFILTLCSRD-UHFFFAOYSA-N
-rxn:4:217204:223841,Cc1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCC(C)CC2)n1,UNFGECVTIHLOBP-UHFFFAOYSA-N
-rxn:4:218588:222583,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,UDUSMOZWBLWMMO-UHFFFAOYSA-N
-rxn:4:218589:225881,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5CCOCC5)nc4F)cn3)C2)cc1,VNKZZKPGEFDZBR-UHFFFAOYSA-N
-rxn:4:218600:226560,CCOc1cc(F)c(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,VVHJMOSSFXAYNR-UHFFFAOYSA-N
-rxn:4:218600:227740,Cc1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)n1,BNWWHIHIDMUGOJ-UHFFFAOYSA-N
-rxn:4:218618:224759,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(F)cc(C(=O)N2CCOCC2)c1,WEYDVQCDFRANML-UHFFFAOYSA-N
-rxn:4:218640:224759,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,YZUDQQDTKUWLHY-UHFFFAOYSA-N
-rxn:4:218666:225654,CC1CCCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cn2)C1,XYHVUZMDCWFJAB-UHFFFAOYSA-N
-rxn:4:218675:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cncc(C(=O)N5CCC(COc6cc(C7CCC7)ncn6)CC5)c4)c3)cccc12,VJVMUCMSUVPEOM-UHFFFAOYSA-N
-rxn:4:218675:226277,CC(C)(C)COc1ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)cn1,JDTOHUQVEIJQCU-UHFFFAOYSA-N
-rxn:4:218699:222948,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)ccc2C#N)CC1,PWDKHWBBVGETGB-UHFFFAOYSA-N
-rxn:4:218700:223279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,CDJVGPWTMMXWKB-UHFFFAOYSA-N
-rxn:4:218710:222466,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KYJCXJMPLBNNIK-UHFFFAOYSA-N
-rxn:4:218710:222669,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)Nc5cccc(Cl)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BQRQEVOUCKIQAV-UHFFFAOYSA-N
-rxn:4:218710:222849,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNCC5)c(C#N)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DHALDJFXCXQGSJ-UHFFFAOYSA-N
-rxn:4:218710:222918,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)NC(C)(C)C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,XWDXIJBSYYELHC-UHFFFAOYSA-N
-rxn:4:218710:223047,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)cc(C(=O)NC5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HOHQVLYBRXBVER-UHFFFAOYSA-N
-rxn:4:218710:223138,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C5CCNCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JDBFAQIXLXHZPW-UHFFFAOYSA-N
-rxn:4:218710:223241,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(C5CCNC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JFTBMBXABLIZJO-UHFFFAOYSA-N
-rxn:4:218710:223312,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CNC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LHMGEFLWBKODOJ-UHFFFAOYSA-N
-rxn:4:218710:223636,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JTFUHNOMORHJMM-UHFFFAOYSA-N
-rxn:4:218710:223885,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FILBUWVSBWCBER-UHFFFAOYSA-N
-rxn:4:218710:224322,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SXYWSVSXEXVSFK-UHFFFAOYSA-N
-rxn:4:218710:224567,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccc(OC)cc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HIZOXZMSGHDSSG-UHFFFAOYSA-N
-rxn:4:218710:224611,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5cnn(CCOC)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKQXOUGWFCTMKP-UHFFFAOYSA-N
-rxn:4:218710:224709,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(OC(F)(F)F)ccc5ccccc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NKJZSXYHDBCFAE-UHFFFAOYSA-N
-rxn:4:218710:224752,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,QHILMVZLYHTVJF-UHFFFAOYSA-N
-rxn:4:218710:224773,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AJBHTVVHCUDIKJ-UHFFFAOYSA-N
-rxn:4:218710:224843,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CCc4ccccc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BMFUEZHWJPPZFM-UHFFFAOYSA-N
-rxn:4:218710:225018,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Oc5ccnc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LQRFYXDAEOMMLT-UHFFFAOYSA-N
-rxn:4:218710:225045,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(Oc5ccc(Cl)cc5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,LTAZBRXNLKOSCM-UHFFFAOYSA-N
-rxn:4:218710:225188,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(Cl)c(CN5CCOCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NUEDYTOIVKQFPH-UHFFFAOYSA-N
-rxn:4:218710:225585,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4CN4CCOCC4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NKEOZZJXUOZYGI-UHFFFAOYSA-N
-rxn:4:218710:225961,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5cnc(C)c5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MOBOVQXDULHSHC-UHFFFAOYSA-N
-rxn:4:218710:225999,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)OC)cc4[N+](=O)[O-])cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PCOBTCCHMCMJCI-UHFFFAOYSA-N
-rxn:4:218710:226330,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(C)N5CCCC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RTHKNCBHVQQVJH-UHFFFAOYSA-N
-rxn:4:218710:226356,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(C5CC5)cc4Cl)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GTBAOKYAHLMUQF-UHFFFAOYSA-N
-rxn:4:218710:226582,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)N(C)C)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DJAKXUUWHVHVNW-UHFFFAOYSA-N
-rxn:4:218710:226631,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cncc(-n5cnc(C)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,MYANFVNEFVVHGC-UHFFFAOYSA-N
-rxn:4:218710:226651,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(-c5cccc(Cl)c5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AXLBTSPCGQEHFY-UHFFFAOYSA-N
-rxn:4:218710:226915,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCCC5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WSRXAQWBWJVRIS-UHFFFAOYSA-N
-rxn:4:218710:227148,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5cnn(C)c5cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ULPPQPGTAFZPCH-UHFFFAOYSA-N
-rxn:4:218710:227484,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(OCC(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,NWRVDQMCXOKEGR-UHFFFAOYSA-N
-rxn:4:218710:227517,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC5COC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DURJACJGCBTHNE-UHFFFAOYSA-N
-rxn:4:218710:227568,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)cc(OC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VOFKUBSXPHBMQB-UHFFFAOYSA-N
-rxn:4:218710:227736,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C(F)(F)F)cnc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FZGHQGGORSMGSC-UHFFFAOYSA-N
-rxn:4:218710:227881,CCCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)cc1,AOTCLUYTDYONBV-UHFFFAOYSA-N
-rxn:4:218710:228123,CCOc1cncc(C)c1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(C)cc3)C2)cc1,KYSZVRFRRMSCRP-UHFFFAOYSA-N
-rxn:4:218710:228253,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(P(C)(C)=O)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OIECBPNCQWVQFJ-UHFFFAOYSA-N
-rxn:4:218710:228292,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc5c4OCCO5)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CEISQQGVGACAAQ-UHFFFAOYSA-N
-rxn:4:218710:228307,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(N(C)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZUJYBQRBHWYWRC-UHFFFAOYSA-N
-rxn:4:218710:228497,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnn4CC(F)(F)F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DKVXNPHQHXINBG-UHFFFAOYSA-N
-rxn:4:218710:229011,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CC5)s4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BQOGSZJQTIVEED-UHFFFAOYSA-N
-rxn:4:218710:229082,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(N(C)C)cs4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,IAVUAOZNQSWMMG-UHFFFAOYSA-N
-rxn:4:218710:229102,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccn(C)c(=O)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HNKRMOUOAFKIQG-UHFFFAOYSA-N
-rxn:4:218710:229111,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(Cl)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BTNZZLHQUPJRIF-UHFFFAOYSA-N
-rxn:4:218710:229307,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnoc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AAGIMDYFBCMFRM-UHFFFAOYSA-N
-rxn:4:218711:225957,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4cncnc4)nc3F)CC2)CC1,SQIRXAAMVVYOOM-UHFFFAOYSA-N
-rxn:4:218711:226824,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4nccs4)nc3F)CC2)CC1,VOAZZZWWODZBBZ-UHFFFAOYSA-N
-rxn:4:218773:222934,CCNC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc([N+](=O)[O-])c1,YAHUVPDFSDJROW-UHFFFAOYSA-N
-rxn:4:218796:224679,CN(C(=O)OC(C)(C)C)c1nn(C)c(C#N)c1-c1cc(Cl)cc(C(=O)N2CCCCC2)c1,FLHNGNAPIUSUKD-UHFFFAOYSA-N
-rxn:4:218815:225311,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3cc(C(F)(F)F)c(C4CC4)cc3Cl)cn2)C1,VYGXWNQWIZTONQ-UHFFFAOYSA-N
-rxn:4:218867:223185,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CNCCO4)nc3)c2)no1,GYWMSMCQTWKLMC-UHFFFAOYSA-N
-rxn:4:218867:225798,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCOCC4)nc3)c2)no1,IIKRYWJYVSHANR-UHFFFAOYSA-N
-rxn:4:218880:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5)CC4)nc3)cc2)CC1,CBKZJOWZWRLMCO-UHFFFAOYSA-N
-rxn:4:218881:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5)C4)nc3)cc2)CC1,CJWYFVNCVFDUQF-UHFFFAOYSA-N
-rxn:4:218888:222584,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,ANUCLCIYZHQVRT-UHFFFAOYSA-N
-rxn:4:218895:222584,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)C2)c1F,PXFNXFFPBKYARR-UHFFFAOYSA-N
-rxn:4:218944:227596,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCC4)nc3)cc2[N+](=O)[O-])CC1,MWFPBXQRDFQOCF-UHFFFAOYSA-N
-rxn:4:218945:223167,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnc(N4CCNCC4)c3)cncc2[N+](=O)[O-])CC1,RWYVDFPMIOJUTG-UHFFFAOYSA-N
-rxn:4:218970:222546,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,JFOYQFUNZUXRPA-UHFFFAOYSA-N
-rxn:4:218972:222684,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)s1,NRBSLPLFVPOIKX-UHFFFAOYSA-N
-rxn:4:219001:228685,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cncc(COC)c3)C2)C(=O)C1=O,FWGZEPJFKPWJRO-UHFFFAOYSA-N
-rxn:4:219001:228881,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(C(C)=O)nc3)C2)C(=O)C1=O,OLZWSQDUMLPCGQ-UHFFFAOYSA-N
-rxn:4:219027:225312,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cnc(N3CCCN(C)CC3)nc2)cnn1C,NEISADQLAWIYEU-UHFFFAOYSA-N
-rxn:4:219048:224101,CC1CCN(CCOc2cccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c2)CC1,PHUAVAFQAIGIPH-UHFFFAOYSA-N
-rxn:4:219048:225947,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)cn2)CC1,VDPXJXHAXWIWSW-UHFFFAOYSA-N
-rxn:4:219078:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,KUJWNHDVEMGEOG-UHFFFAOYSA-N
-rxn:4:219093:223980,CCC(=O)C1=C(c2ccc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,AOKIMYLKWYQFGV-UHFFFAOYSA-N
-rxn:4:219120:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,ZPXPUVFFAHBIMJ-UHFFFAOYSA-N
-rxn:4:219120:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2Cl)CC1,CKMLCEMHKSROPE-UHFFFAOYSA-N
-rxn:4:219130:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(F)c2)CC1,GZCIXZFGLXDINU-UHFFFAOYSA-N
-rxn:4:219184:225222,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(N5CCCCC5C)ncc4F)cc2)OC3)CC1,PDRWYZJGFOYQBT-UHFFFAOYSA-N
-rxn:4:219238:223755,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)c5ccno5)C4)nc3)cc2F)CC1,NYPWMOCAAGRXMR-UHFFFAOYSA-N
-rxn:4:219315:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(COc4ccc(F)cn4)C3)nc2)CC1,ZVNQLPATTBADAB-UHFFFAOYSA-N
-rxn:4:219318:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nccn5C)C4)c3)c2)CC1,ADTUODXWBNZPLC-UHFFFAOYSA-N
-rxn:4:219383:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2Cl)CC1,WPTWVIVJPACBSI-UHFFFAOYSA-N
-rxn:4:219390:224416,N#Cc1cc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cnc1N1CCN(C(=O)c2ccccc2)CC1,ZYUJHCBPWLKCQU-UHFFFAOYSA-N
-rxn:4:219404:222511,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)n2)CC1,ABEZSKDYHUUAJU-UHFFFAOYSA-N
-rxn:4:219414:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C#N)c3)c2Cl)CC1,ZVRKCBMZHFNFNH-UHFFFAOYSA-N
-rxn:4:219436:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1Cl,XIYWFQRSFNAJRY-UHFFFAOYSA-N
-rxn:4:219471:225737,CCCCOc1c(F)ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1F,CMMKCCXCTKSBRF-UHFFFAOYSA-N
-rxn:4:219473:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,UZNKEJDACVTBPE-UHFFFAOYSA-N
-rxn:4:219498:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,YGJURFYEDIBCRC-UHFFFAOYSA-N
-rxn:4:219501:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,PLUUBAAWUKRTSS-BWZATIJHSA-N
-rxn:4:219523:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)CC1,LIYXCGWHYYMYQF-UHFFFAOYSA-N
-rxn:4:219524:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCCC(Oc5nc(C)cc(C)n5)C4)c3)c(Cl)c2)CC1,VXZAGRUZCPUZKN-UHFFFAOYSA-N
-rxn:4:219530:226844,O=C1C(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1C1CC1,JXIGEFHCJWDZDT-UHFFFAOYSA-N
-rxn:4:219531:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,WYDMNRZVVRFPDJ-UHFFFAOYSA-N
-rxn:4:219534:224627,CN(C)C1CN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)C1,VCSPCPZNTDHBGR-UHFFFAOYSA-N
-rxn:4:219537:223895,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)CC1,FPVDKVABYQURCU-UHFFFAOYSA-N
-rxn:4:219538:228303,CCN(C)c1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,YXEVODUPWMZRAC-UHFFFAOYSA-N
-rxn:4:219649:223979,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,KIZQNCLVKULCNE-UHFFFAOYSA-N
-rxn:4:219650:222935,COc1ccc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)cc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,VNXYWQFLVFPNAC-UHFFFAOYSA-N
-rxn:4:219654:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,DQTOIHSILFUUDM-UHFFFAOYSA-N
-rxn:4:219689:223929,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)n3c2)CC1,FEBJSBOAGVIHCO-UHFFFAOYSA-N
-rxn:4:219707:224746,CC(=O)N1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,ULIAZOUZUDHUMX-UHFFFAOYSA-N
-rxn:4:219707:228293,CN(C)CCn1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cn1,YZFAXTCFLLNALU-UHFFFAOYSA-N
-rxn:4:219716:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CC5CN(c6cc(C)ncn6)CC5C4)cc3)cn2)CC1,OTJCMVAMKGFVSH-UHFFFAOYSA-N
-rxn:4:219762:226285,CC(=O)C1=C(c2ccc(-c3cc(OCC(C)C)ccc3Cl)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,ZVLWZWIWBONDHK-UHFFFAOYSA-N
-rxn:4:219778:224718,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GVKNJDHHVOTUBP-UHFFFAOYSA-N
-rxn:4:219867:224683,CCN1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])CC1,RNJJVZBXUIGGGQ-UHFFFAOYSA-N
-rxn:4:219936:222465,Cc1nnc(CN2CCN(c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)o1,OKYJNFVHNWNSIP-UHFFFAOYSA-N
-rxn:4:219937:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1,ATGNRJDMGLCTLZ-UHFFFAOYSA-N
-rxn:4:219949:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cn(C)nc2CN2CCN(C(C)C)CC2)cc1,MPDGFRZYGCIBIZ-UHFFFAOYSA-N
-rxn:4:219955:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(Cl)c2)CC1,HVIKIRDCNAIKBB-UHFFFAOYSA-N
-rxn:4:219975:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1F,ZJZZSDBTQUNTJN-UHFFFAOYSA-N
-rxn:4:219988:222963,CCCNC(=O)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,ITSLLXWKPUIFNK-UHFFFAOYSA-N
-rxn:4:219991:228191,Cc1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cnc1N(C)C,FEKJCCFGFOPVFR-UHFFFAOYSA-N
-rxn:4:219997:223753,Cc1ccc(-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)cc1OCCCN1CCN(C)CC1,VDLDJWSHEQTWNT-UHFFFAOYSA-N
-rxn:4:220162:225810,COc1ccc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c(C2OCCO2)c1,KKGDRLYJMRAGNI-UHFFFAOYSA-N
-rxn:4:220191:225052,CC1CCCCN1c1cc(F)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)c1,QXCNVXJHALZEIK-UHFFFAOYSA-N
-rxn:4:220224:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(C5Cn6nnc(C(=O)N7CCCCCC7)c6CO5)cc4)c3)cccc12,HJOHKJFQWCJKBP-UHFFFAOYSA-N
-rxn:4:220243:223755,CC1CCN(CCCOc2ccc(-c3ccc(-c4noc(-c5cn(C)c6cc(N7CCC(C)CC7)c(F)cc6c5=O)n4)cc3)cc2F)CC1,OJKXEOMLPZOVMG-UHFFFAOYSA-N
-rxn:4:220266:225733,CCCCOc1cc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)c(F)cc1F,XOLNRCAULOBVOC-UHFFFAOYSA-N
-rxn:4:220396:223836,COc1ncnc2c1cc(-c1cnc(N3CCN(C)C(=O)C3)c([N+](=O)[O-])c1)n2C(=O)OC(C)(C)C,UZDKQWZYQOGMMM-UHFFFAOYSA-N
-rxn:4:220400:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc([N+](=O)[O-])cc(N3CCN(C)CC3)n2)c1,XIIIWMONAPPABF-UHFFFAOYSA-N
-rxn:4:220540:223918,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)cc4)C3C2=O)c1,PMXKXKYLRKSMGM-UHFFFAOYSA-N
-rxn:4:220546:222389,c1nc2c(c(N3CCN(c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)CC3)n1)CCC2,VDDCPZSPIMUVNW-UHFFFAOYSA-N
-rxn:4:220547:222896,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(CNC(=O)OC(C)(C)C)s5)c(C)c4)C3C2=O)c1,NNLGHGUEYRIBEP-UHFFFAOYSA-N
-rxn:4:220788:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOCC4)nn3)c2)CC1,ORISPSGKIINPOI-UHFFFAOYSA-N
-rxn:4:221103:222638,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)C2)cn1,MXDUJTSJLOMJHX-UHFFFAOYSA-N
-rxn:4:221115:228436,CCOc1ccc(-c2c(OC)ccc(F)c2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,ARKVHXFZIVOHFM-UHFFFAOYSA-N
-rxn:4:221121:223095,CC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1[N+](=O)[O-],WJGPMPFVKMPMMF-UHFFFAOYSA-N
-rxn:4:221121:223097,CNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc([N+](=O)[O-])c1,AWLHVZUNLUENRS-UHFFFAOYSA-N
-rxn:4:221121:223119,C#CCNC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,MAYJVDFWWRBZGT-UHFFFAOYSA-N
-rxn:4:221121:223157,CCNC(=O)c1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,YHXCYVVZFJZFDG-UHFFFAOYSA-N
-rxn:4:221121:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,RQXVAWAXCOPFCR-UHFFFAOYSA-N
-rxn:4:221121:223959,CCN1CCN(C(=O)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2Cl)CC1,HQNLPTLUGSDCPK-UHFFFAOYSA-N
-rxn:4:221121:224318,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCN(C)CC6)c(F)c5)ccc43)CC2)CC1,LEIBLZKOEJLHAI-UHFFFAOYSA-N
-rxn:4:221121:224660,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCN(C)CC6)cc5)ccc43)CC2)CC1,CZNDEDJNAFIUCQ-UHFFFAOYSA-N
-rxn:4:221121:224718,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCN6CCOCC6)nc5)ccc43)CC2)CC1,VHZVMFZQXKQEPE-UHFFFAOYSA-N
-rxn:4:221121:225407,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCCCC6)cc5)ccc43)CC2)CC1,JQMOKFGPVJBDKI-UHFFFAOYSA-N
-rxn:4:221121:225421,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc6c(N(C)C)cccc56)ccc43)CC2)CC1,HXQYSACDRYNUOJ-UHFFFAOYSA-N
-rxn:4:221121:225678,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(-c6cccc(F)c6)c5)ccc43)CC2)CC1,ODGHMRXYGVYYND-UHFFFAOYSA-N
-rxn:4:221121:225745,CC(C)Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1[N+](=O)[O-],ULUUIOIOKUELCB-UHFFFAOYSA-N
-rxn:4:221121:225890,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(COCC[Si](C)(C)C)c5)ccc43)CC2)CC1,XDCKUECRJSYRFS-UHFFFAOYSA-N
-rxn:4:221121:226107,Cc1cc(OCC2CC2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,MJORRMFTJKOLFH-UHFFFAOYSA-N
-rxn:4:221121:226173,Cc1cc(-n2cccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,CORHTFHIEQFNBJ-UHFFFAOYSA-N
-rxn:4:221121:226195,Cc1cccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,XRAYKQZNNABIMS-UHFFFAOYSA-N
-rxn:4:221121:226606,CC(C)Oc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,FVFXIUSZCMQJNI-UHFFFAOYSA-N
-rxn:4:221121:227200,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(Cl)cccc6n5C)ccc43)CC2)CC1,NFCOMRQSCONUFY-UHFFFAOYSA-N
-rxn:4:221121:227236,CCOC(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,AJIDYFDYSOONNG-UHFFFAOYSA-N
-rxn:4:221121:227556,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(OC)c1F,SCOQOSJCWJBYGV-UHFFFAOYSA-N
-rxn:4:221121:227560,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)F,MIKWUPDXSZZEOA-UHFFFAOYSA-N
-rxn:4:221121:227730,Cc1nn(-c2nccs2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ZBKUPLYHWXOPCT-UHFFFAOYSA-N
-rxn:4:221121:227749,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(C(F)(F)F)c5)ccc43)CC2)CC1,USJOYBSTNLFTBE-UHFFFAOYSA-N
-rxn:4:221121:227753,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(F)(F)F)c5Cl)ccc43)CC2)CC1,VZPMWCMOTQDUBF-UHFFFAOYSA-N
-rxn:4:221121:227862,Cc1cccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)sc12,DOCOWZONMBUSDM-UHFFFAOYSA-N
-rxn:4:221121:228159,CCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,GJTISJCLQZVAMD-UHFFFAOYSA-N
-rxn:4:221121:228286,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn2cnnc12,ZGAZCPKVFRCKDR-UHFFFAOYSA-N
-rxn:4:221121:228462,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(OC(F)F)c5)ccc43)CC2)CC1,NXNUKYAZMBMYDX-UHFFFAOYSA-N
-rxn:4:221121:228716,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cnc1C#N,KJOWIKMSPAZSIQ-UHFFFAOYSA-N
-rxn:4:221121:228754,CSc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,WVEHWBSXZQUFOA-UHFFFAOYSA-N
-rxn:4:221121:228968,CSc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(Cl)n1,MYXPTPTXYGAVNH-UHFFFAOYSA-N
-rxn:4:221121:229010,CC(C)c1csc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QEAVDMCQQSYTQS-UHFFFAOYSA-N
-rxn:4:221126:222684,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)nnn3c3ccsc23)C1,JENJTRCUCVZQDN-UHFFFAOYSA-N
-rxn:4:221149:223755,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5ccc(C#N)cn5)C4)nc3)cc2F)CC1,JGMUPFKDJMYIDN-UHFFFAOYSA-N
-rxn:4:221169:222723,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cn1,KQIPUUDCHKCOAR-UHFFFAOYSA-N
-rxn:4:221171:223960,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCN(CC)CC5)c4)cn3)C2)c1F,PQQPPSBHWCGYDZ-UHFFFAOYSA-N
-rxn:4:221172:224618,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cn3)CC2)ccc1=O,MOOBCLNEMJOFOP-UHFFFAOYSA-N
-rxn:4:221175:228603,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(C)=O)c4)cn3)C2)C(=O)C1=O,HNGXXEWAUVHMMU-UHFFFAOYSA-N
-rxn:4:221175:228746,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C#N)c4Cl)cn3)C2)C(=O)C1=O,PSRUTCCSKGFLSC-UHFFFAOYSA-N
-rxn:4:221181:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)nn1C,IPYNDLAYJPEIQG-UHFFFAOYSA-N
-rxn:4:221190:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(-c5noc(C6CC6)n5)cn4)CC3)o2)cc1,APVAUVJRUTYVBN-UHFFFAOYSA-N
-rxn:4:221190:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(-c5noc(C6CC6)n5)cn4)CC3)o2)cc1OCCCN1CCN(C)CC1,RLNRLRGHTPHTPG-UHFFFAOYSA-N
-rxn:4:221193:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1Cl,OJJWQUUYNJXUSC-UHFFFAOYSA-N
-rxn:4:221194:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cnc(OC2CCN(S(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)nc1,NLUFJFLUHQZZOC-UHFFFAOYSA-N
-rxn:4:221195:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)cc2)cc1,SMZABEOHCLDSHH-UHFFFAOYSA-N
-rxn:4:221204:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4ccc(CCN5CCN(c6nccc(N7CCOCC7)n6)CC5)cc4)c3)cccc12,PIQWCEWGEVUFNS-UHFFFAOYSA-N
-rxn:4:221204:224746,CC(=O)N1CCN(c2ccc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cn2)CC1,ZJXDJSGMPBPKKM-UHFFFAOYSA-N
-rxn:4:221205:224683,O=C(c1cc(F)cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1)N1CCCCC1,NVXUPJZFZPKEOS-UHFFFAOYSA-N
-rxn:4:221207:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2)c(Cl)c1,HYCVURANHCOTOM-UHFFFAOYSA-N
-rxn:4:221207:223288,CNS(=O)(=O)c1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,QZCJUHJFPPTEIS-UHFFFAOYSA-N
-rxn:4:221207:223661,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(=O)OCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,RZRXIEPYBSTVMC-UHFFFAOYSA-N
-rxn:4:221207:223840,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,SQLUCKIHMDBWFF-UHFFFAOYSA-N
-rxn:4:221207:224366,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(OCC5CC5)c4)cc3)CC2)n1,TZDTWCOXZMCRJH-UHFFFAOYSA-N
-rxn:4:221207:224811,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)n1,FLHDPJPXXHBSKZ-UHFFFAOYSA-N
-rxn:4:221207:225368,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc5c(c4)OC(F)(F)C(F)(F)O5)cc3)CC2)n1,VOFUFOPPWNHPLB-UHFFFAOYSA-N
-rxn:4:221207:225370,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)n1,FFNOIVJVKWRGQA-UHFFFAOYSA-N
-rxn:4:221207:226034,COc1c(Cl)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C(F)(F)F,ANYBAMHDPIDHEN-UHFFFAOYSA-N
-rxn:4:221207:226190,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(C5CCCC5)cc4F)cc3)CC2)n1,FTYMWJMAHDWVCN-UHFFFAOYSA-N
-rxn:4:221207:226733,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N(C)C)cc4)cc3)CC2)n1,GKPGDVSMUIXXLE-UHFFFAOYSA-N
-rxn:4:221207:226868,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(Cl)c4)cc3)CC2)n1,OLUXDHWZCOHYIJ-UHFFFAOYSA-N
-rxn:4:221207:227055,COc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1C1CC1,WRPATYCEDAPVAP-UHFFFAOYSA-N
-rxn:4:221207:227102,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)ccc4F)cc3)CC2)n1,VYIMAKHWYMDTTP-UHFFFAOYSA-N
-rxn:4:221207:227298,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(F)ccc4CN(C)C)cc3)CC2)n1,UGYAMOAUDHXUAW-UHFFFAOYSA-N
-rxn:4:221207:227387,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(N5CCCC5)c4)cc3)CC2)n1,HMNHUPDBWKZEDW-UHFFFAOYSA-N
-rxn:4:221207:227662,Cc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(C(F)(F)F)c1,JKMMLMKNNCRJLO-UHFFFAOYSA-N
-rxn:4:221209:223004,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)c(F)c4)cc3)CC2)n1,OLBRIJUYSBJUBY-UHFFFAOYSA-N
-rxn:4:221209:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,LMEFBXDYEWCVIV-UHFFFAOYSA-N
-rxn:4:221209:224077,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cn([Si](C)(C)C(C)(C)C)c5ccccc45)cc3)CC2)n1,RGZIHPNTARFBMB-UHFFFAOYSA-N
-rxn:4:221209:225849,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,DJWQEYIRHZNRSF-UHFFFAOYSA-N
-rxn:4:221209:226146,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(SC5CCCC5)cc4)cc3)CC2)n1,AATYVROZNPXUCC-UHFFFAOYSA-N
-rxn:4:221209:226240,COC(=O)CCc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,KIFIWXSDCJZKRQ-UHFFFAOYSA-N
-rxn:4:221209:226516,CCc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc(C(=O)OC)n1,SQSJAQZLKUCJHZ-UHFFFAOYSA-N
-rxn:4:221209:226720,COC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c(OC)cn1,JEMBVXRZZBUOIX-UHFFFAOYSA-N
-rxn:4:221209:226984,CCCOCc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1,VNPKFKPDIXNKPS-UHFFFAOYSA-N
-rxn:4:221209:227116,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CC5)cc(Cl)c4C)cc3)CC2)n1,KUPFFIFXTGMRDX-UHFFFAOYSA-N
-rxn:4:221209:227691,COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1[N+](=O)[O-],ODMUVHGBMPZMFJ-UHFFFAOYSA-N
-rxn:4:221230:224285,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4F)cn3)C1)CCC2,CJDMXVZCCOWFOZ-UHFFFAOYSA-N
-rxn:4:221249:222887,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(C(=O)N6CCNCC6)c5)cnn4c3)cc2)CC1,XBZQIKZQSZTXIF-UHFFFAOYSA-N
-rxn:4:221272:223094,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc([N+](=O)[O-])c(NC(C)=O)c3)cc2)n(C)c1=O,LTBUDNHOLICDBA-UHFFFAOYSA-N
-rxn:4:221272:225984,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,RRBSAIIEQKMENE-UHFFFAOYSA-N
-rxn:4:221321:223895,CCN1CCN(CCOc2ccc(-c3ccc(-c4nnnn4CC(=O)N4CCOCC4)cc3)cc2)CC1,DEABDCOPMGIKRP-UHFFFAOYSA-N
-rxn:4:221375:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)cc2)CC1,CNTBKKKFKRQCHU-UHFFFAOYSA-N
-rxn:4:221380:226474,CN(C)CCOc1cncc(-c2cncc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)c2)c1,AUZRJZMVQNIOMJ-UHFFFAOYSA-N
-rxn:4:221381:224584,Cc1nc(N2CCN(C(=O)c3cncc(-c4cccc(C(=O)N5CCC(C)CC5)c4)c3)CC2)cc(C(F)(F)F)n1,VNSRLLVVFQASQZ-UHFFFAOYSA-N
-rxn:4:221406:222540,CN(C)c1cc(N2CCN(Cc3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)CC2)ncn1,FPUZFMROUNKQQB-UHFFFAOYSA-N
-rxn:4:221413:225893,COCCOc1c(Cl)ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c1F,WEWFDNJITYLHMQ-UHFFFAOYSA-N
-rxn:4:221415:222633,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)n1,CFJBIHQWEBYFLT-UHFFFAOYSA-N
-rxn:4:221416:225723,CN(C)CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)cc1Cl,BUCUSMBCUUSLQV-UHFFFAOYSA-N
-rxn:4:221417:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5nc(-n6nc(C)cc6C)ccc5=O)CC4)o3)c3ccccc23)CC1,QFBRKZBJAIPURZ-UHFFFAOYSA-N
-rxn:4:221435:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,RVEPFCGXYVPZHI-UHFFFAOYSA-N
-rxn:4:221438:222684,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)o3)CC2)nn1,IXDPXTLEHHCXQS-UHFFFAOYSA-N
-rxn:4:221447:222628,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,JUARXGLSVXZCGE-UHFFFAOYSA-N
-rxn:4:221447:222708,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC(=O)CC(C)C)cc4)cc3)CC2)nc(N2CCOCC2)n1,HZFGHAXSZOEBCO-UHFFFAOYSA-N
-rxn:4:221447:224976,Cc1cc(N2CCN(Cc3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3)CC2)nc(N2CCOCC2)n1,LPLPAUFGFDYJOO-UHFFFAOYSA-N
-rxn:4:221447:226522,CCOC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BVYBVIXPCAADJQ-UHFFFAOYSA-N
-rxn:4:221449:223076,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)cc3)CC2)n1,SPRIARWNQNINEW-UHFFFAOYSA-N
-rxn:4:221449:223220,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NCC5CC5)nc4)cc3)CC2)n1,LLCXAZIHWHAZQY-UHFFFAOYSA-N
-rxn:4:221449:223352,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(C)C)nc4)cc3)CC2)n1,XVZGWHDMUZEBSV-UHFFFAOYSA-N
-rxn:4:221449:223760,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OC)cc1OCc1ccccc1,SNICNEFAZWWXQP-UHFFFAOYSA-N
-rxn:4:221449:224104,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1OCc1ccccc1,JQEUBYHHGKCMSK-UHFFFAOYSA-N
-rxn:4:221449:224860,CCCOc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)ccc2c1,RZQCSAFSUSULGK-UHFFFAOYSA-N
-rxn:4:221449:225445,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OC4CCCCC4)cc3)CC2)n1,SQHNVMNIJWHERL-UHFFFAOYSA-N
-rxn:4:221449:226144,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#C[Si](C)(C)C)cc4)cc3)CC2)n1,SQCVJKNTQNKOME-UHFFFAOYSA-N
-rxn:4:221449:227437,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCO5)c4)cc3)CC2)n1,YMPZMSPNOWNRCO-UHFFFAOYSA-N
-rxn:4:221449:228201,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4)cc3)CC2)n1,RVFRBPQPBCEDBI-UHFFFAOYSA-N
-rxn:4:221453:222886,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)CC2)n1,DJDSOBFYSAXJQH-UHFFFAOYSA-N
-rxn:4:221453:223020,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCC#N)cc4)cc3)CC2)n1,SWBSSSLCZDFCSO-UHFFFAOYSA-N
-rxn:4:221453:223060,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(Cl)nc(C5CCNCC5)c4)cc3)CC2)n1,QVAFPVBFVAEFFH-UHFFFAOYSA-N
-rxn:4:221453:223194,CCCNCc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,SSMQEGLYAAOLHN-UHFFFAOYSA-N
-rxn:4:221453:223923,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cc3)CC2)n1,HPEZNWLPCXZXDT-UHFFFAOYSA-N
-rxn:4:221453:223990,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)cc3)CC2)n1,BNZYWSTZYJMCGT-UHFFFAOYSA-N
-rxn:4:221453:225312,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)n1,ZPYCHILEIDSZGZ-UHFFFAOYSA-N
-rxn:4:221453:226908,CCCCCc1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,UYYWVFNKZFNVID-UHFFFAOYSA-N
-rxn:4:221453:226923,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C)c(C5CC5)cc4C)cc3)CC2)n1,JXMPYEJTQVUKMP-UHFFFAOYSA-N
-rxn:4:221453:226989,CCN(CC)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,MWQWMGPANROFOY-UHFFFAOYSA-N
-rxn:4:221453:227350,COc1cc(C)cc(OC)c1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,HFQJVSABVWVZQJ-UHFFFAOYSA-N
-rxn:4:221456:222588,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cc3)CC2)n1,XBVSOSYXBWMPPC-UHFFFAOYSA-N
-rxn:4:221456:222688,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccccn5)c(F)c4)cc3)CC2)n1,NKPHUQASFHTQOI-UHFFFAOYSA-N
-rxn:4:221456:222963,CCCNC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,DHXOUPQTCBSWNR-UHFFFAOYSA-N
-rxn:4:221456:222978,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2)n1,CSEQRGYVLJWJTO-UHFFFAOYSA-N
-rxn:4:221456:223013,COC(=O)c1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)[nH]c2c1,USZWNGCLGFDRHK-UHFFFAOYSA-N
-rxn:4:221456:223110,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(C)(C)C)cc4)cc3)CC2)n1,ONRPQNSVKPDHIT-UHFFFAOYSA-N
-rxn:4:221456:223242,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,JUXINQCAUFUTKG-UHFFFAOYSA-N
-rxn:4:221456:223340,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)NCCO5)cc3)CC2)n1,XVVVEFHHNIQRDE-UHFFFAOYSA-N
-rxn:4:221456:223508,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)n1,FYZSGGMKRSNWHN-UHFFFAOYSA-N
-rxn:4:221456:223603,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCc5cccnc5)c(OC(F)(F)F)cc4Cl)cc3)CC2)n1,LREZJYJKMFZJJQ-UHFFFAOYSA-N
-rxn:4:221456:223761,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cc3)CC2)n1,DKPYFDRBHPUPCG-UHFFFAOYSA-N
-rxn:4:221456:223928,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc3)CC2)n1,BTRIFEJGRBKJKS-UHFFFAOYSA-N
-rxn:4:221456:223955,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(SCc5ccccc5[N+](=O)[O-])cc4)cc3)CC2)n1,WHUCEFWNCUCACI-UHFFFAOYSA-N
-rxn:4:221456:224358,COc1ccc2nc(C(F)(F)F)cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)c2c1,SUDSEPWPFOJQDX-UHFFFAOYSA-N
-rxn:4:221456:224493,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)cc3)CC2)n1,BJUDXVXJNMJMND-UHFFFAOYSA-N
-rxn:4:221456:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CEGQOFIDUTZWNP-UHFFFAOYSA-N
-rxn:4:221456:224953,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CCCCC5)nc4)cc3)CC2)n1,PJRJRBQBCKXVII-UHFFFAOYSA-N
-rxn:4:221456:225381,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)cc3)CC2)n1,PXZNOMPVVHFTGM-UHFFFAOYSA-N
-rxn:4:221456:226447,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCOCC5)c4)cc3)CC2)n1,DAZOBRWXTAJBFZ-UHFFFAOYSA-N
-rxn:4:221456:227095,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC(=O)C5)cc4)cc3)CC2)n1,KHWUFBSNVNUZSW-UHFFFAOYSA-N
-rxn:4:221456:227584,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(OC)c1Cl,OCZTUZCPDGOROA-UHFFFAOYSA-N
-rxn:4:221456:227804,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])sc4[N+](=O)[O-])cc3)CC2)n1,MDAYMGZIWFKQNK-UHFFFAOYSA-N
-rxn:4:221456:227910,CCC(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,NSYGBLFJHQCRQL-UHFFFAOYSA-N
-rxn:4:221456:227961,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)nc4C)cc3)CC2)n1,NKXVIAUZAWKIJI-UHFFFAOYSA-N
-rxn:4:221456:228164,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1Cl,MMEFJYBXEKXJSH-UHFFFAOYSA-N
-rxn:4:221456:228180,COCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,OCDQJJFUMOAXOW-UHFFFAOYSA-N
-rxn:4:221498:224194,CCN1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2Cl)CC1,NUBYHSMVMDUDAZ-UHFFFAOYSA-N
-rxn:4:221498:224667,CN1CCN(Cc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccc2Cl)CC1,YRXKRXIAUOTZLV-UHFFFAOYSA-N
-rxn:4:221549:223755,CCCn1c(C)cn2c3c(=O)n(Cc4ccc(-c5ccc(OCCCN6CCC(C)CC6)c(F)c5)cc4)c(=O)n(C)c3nc12,HJUKDFRBEPBYJP-UHFFFAOYSA-N
-rxn:4:221569:223669,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)c(=O)n2C)cc1,SFSAATKXNZJJEG-UHFFFAOYSA-N
-rxn:4:221642:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,SGOLRBDZLMFQRX-UHFFFAOYSA-N
-rxn:4:221728:223671,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4s3)CC2)n(C2CC2)c1=O,AUFHYLDQUJNGCK-UHFFFAOYSA-N
-rxn:4:221787:223828,CCN1CCN(c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5cc(C)cc(C)c5)n(C)c4=O)cc3)cc(C(F)(F)F)c2)CC1,XHONNWDZDTWFMR-UHFFFAOYSA-N
-rxn:4:221832:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1,LWZZCECCCDHYLQ-UHFFFAOYSA-N
-rxn:4:221836:225212,CN1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,JRDWXVPEVVHOIJ-UHFFFAOYSA-N
-rxn:4:221916:222684,CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)CC3)nn2)n1,UTSLZRNAPBGVTA-UHFFFAOYSA-N
-rxn:4:221959:222583,COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)n2)CC1,UKLMQSNMJWPWHB-UHFFFAOYSA-N
-rxn:4:221961:223992,Cc1ccc(-c2cncc(C(=O)N3CCC(Oc4ncc(-c5cnn(C)c5)cn4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,SDTYTCWGBJGMKN-UHFFFAOYSA-N
-rxn:4:221965:222478,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)NCc6ccccc6C)ccc5Cl)cc4)CC3)nn2)CC1,RLTPIYPIIGKWEA-UHFFFAOYSA-N
-rxn:4:221965:222485,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)Nc6cccc(C)c6C)c(F)c5)cc4)CC3)nn2)CC1,JAGGZGOXGGWZMC-UHFFFAOYSA-N
-rxn:4:221965:222499,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)NCc6ccccc6)ccc5C)cc4)CC3)nn2)CC1,RCHGCEBDZOXTIF-UHFFFAOYSA-N
-rxn:4:221965:222544,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(NC(=O)OCc6ccccc6)cc5)cc4)CC3)nn2)CC1,IWNIXCIYCZKVHK-UHFFFAOYSA-N
-rxn:4:221965:222690,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C(=O)Nc6ccccn6)c5)cc4)CC3)nn2)CC1,MEZUJGHTSZJNRO-UHFFFAOYSA-N
-rxn:4:221965:223038,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)NC(C)C)c5)cc4)CC3)nn2)CC1,GQAAXCYAUVHBLG-UHFFFAOYSA-N
-rxn:4:221965:223057,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)nc(C6CCCNC6)c5)cc4)CC3)nn2)CC1,JZZCCJSSXPCKJE-UHFFFAOYSA-N
-rxn:4:221965:223131,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)cc5)cc4)CC3)nn2)CC1,SMEHSRPDSKAVPQ-UHFFFAOYSA-N
-rxn:4:221965:223278,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(C6CCNCC6)c5)cc4)CC3)nn2)CC1,GABYENXRBIIEDF-UHFFFAOYSA-N
-rxn:4:221965:223758,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)c(OCc6ccccc6)c(OC)c5)cc4)CC3)nn2)CC1,NPMQKPRHMBCIIP-UHFFFAOYSA-N
-rxn:4:221965:223830,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc4)CC3)nn2)CC1,XLZSWSLLLBXKFY-UHFFFAOYSA-N
-rxn:4:221965:224090,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5OCc5ccccc5C#N)cc4)CC3)nn2)CC1,HDBJIGNRYDAHSW-UHFFFAOYSA-N
-rxn:4:221965:224282,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N(C)C)c6ccccc56)cc4)CC3)nn2)CC1,BJNQKLOQXGSYDX-UHFFFAOYSA-N
-rxn:4:221965:224288,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)C(=O)OC(C)(C)C)cc5Cl)cc4)CC3)nn2)CC1,HQEDYCUTXLTCHT-UHFFFAOYSA-N
-rxn:4:221965:224322,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)cc5)cc4)CC3)nn2)CC1,SKRZJZXACYREBH-UHFFFAOYSA-N
-rxn:4:221965:224462,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C6CCN(C7CC7)CC6)cc5)cc4)CC3)nn2)CC1,WYCXIQIDFVTCRM-UHFFFAOYSA-N
-rxn:4:221965:224612,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCOCC6)cc5)cc4)CC3)nn2)CC1,NUJMLZRCXUIXRB-UHFFFAOYSA-N
-rxn:4:221965:224619,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCCC6)c(F)c5)cc4)CC3)nn2)CC1,PTEZXXZSSJBRSL-UHFFFAOYSA-N
-rxn:4:221965:225076,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC)c6ncccc56)cc4)CC3)nn2)CC1,KIRUSOMTQKGPIY-UHFFFAOYSA-N
-rxn:4:221965:225264,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC)c(C(=O)OC)c5)cc4)CC3)nn2)CC1,XLXJRIJWYKZSAX-UHFFFAOYSA-N
-rxn:4:221965:225566,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC6(C)COC6)cc5)cc4)CC3)nn2)CC1,WNHPMKWUVTVIGE-UHFFFAOYSA-N
-rxn:4:221965:226281,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CC(=O)N(C)C)cc5)cc4)CC3)nn2)CC1,GYTWRSCPQBIDDL-UHFFFAOYSA-N
-rxn:4:221965:226492,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCCOC)ccc5Cl)cc4)CC3)nn2)CC1,BDZMSQPEJUWGPB-UHFFFAOYSA-N
-rxn:4:221965:226555,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c(F)cc1F,OUDLKWHMMLAJAZ-UHFFFAOYSA-N
-rxn:4:221965:226576,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N(C)C)c5)cc4)CC3)nn2)CC1,CWAYGAWCHWBDCJ-UHFFFAOYSA-N
-rxn:4:221965:226591,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)c(F)c5F)cc4)CC3)nn2)CC1,AWAIZWZZLHTXQW-UHFFFAOYSA-N
-rxn:4:221965:226792,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCOCC6)nc5)cc4)CC3)nn2)CC1,PCLQIEVYIZIRNB-UHFFFAOYSA-N
-rxn:4:221965:226886,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C(F)(F)F)c(F)c5)cc4)CC3)nn2)CC1,ALTBMOXSFCYFQJ-UHFFFAOYSA-N
-rxn:4:221965:227057,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OC)c5C5CC5)cc4)CC3)nn2)CC1,RVBXTTPWJAQFQU-UHFFFAOYSA-N
-rxn:4:221965:227094,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnccc5C5CCCC5)cc4)CC3)nn2)CC1,DRCIXRPTYBMESO-UHFFFAOYSA-N
-rxn:4:221965:227297,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(CN(C)C)ccc5F)cc4)CC3)nn2)CC1,IIHPQAQAFVBQIC-UHFFFAOYSA-N
-rxn:4:221965:227764,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(C(F)F)c(F)c5)cc4)CC3)nn2)CC1,QOTUEZZLIKDVBH-UHFFFAOYSA-N
-rxn:4:221965:227915,CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1C,NPDDQPBVYOILAG-UHFFFAOYSA-N
-rxn:4:221965:227999,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(C)C)cc5F)cc4)CC3)nn2)CC1,GOOYZSPGXAXOMM-UHFFFAOYSA-N
-rxn:4:221965:228155,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC)c(OC)c5)cc4)CC3)nn2)CC1,YGCQMFFLZLFJON-UHFFFAOYSA-N
-rxn:4:221965:228156,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)ccc5OC)cc4)CC3)nn2)CC1,AZLQHOWUAVVIDI-UHFFFAOYSA-N
-rxn:4:221965:228209,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)c(C)cc5Cl)cc4)CC3)nn2)CC1,PROAOYONQYJGAK-UHFFFAOYSA-N
-rxn:4:221965:228330,CCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cnc1F,YTEJQEZCBVKXJX-UHFFFAOYSA-N
-rxn:4:221966:222684,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,XJIRSZRBPWUHOU-UHFFFAOYSA-N
-rxn:4:221975:222971,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)C(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,NZGAHFJFUAOQSM-UHFFFAOYSA-N
-rxn:4:221975:223052,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)C)c6F)cc5)no4)C3C2=O)cc1,JOHXKKRASKMFQT-UHFFFAOYSA-N
-rxn:4:221975:223055,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)nc6C)cc5)no4)C3C2=O)cc1,NCFMEGZTGWMFSX-UHFFFAOYSA-N
-rxn:4:221975:223597,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(Cl)c6)cc5)no4)C3C2=O)cc1,IMFVUDWIUVTUTN-UHFFFAOYSA-N
-rxn:4:221975:223995,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCN(C)CC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,OECUMDWVSUFYEA-UHFFFAOYSA-N
-rxn:4:221975:224379,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCN(C)CC6)cc5)no4)C3C2=O)cc1,LFOBMIRUXACDAU-UHFFFAOYSA-N
-rxn:4:221975:224411,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,OMTZLGHUECPEDQ-UHFFFAOYSA-N
-rxn:4:221975:225462,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1,ZDLQGFINYKWDLQ-UHFFFAOYSA-N
-rxn:4:221975:225576,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCC7)c(C#N)c6)cc5)no4)C3C2=O)cc1,FOWSRBCBBULVNN-UHFFFAOYSA-N
-rxn:4:221975:225613,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(OC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,ODGDJZGBYVBKOX-UHFFFAOYSA-N
-rxn:4:221975:225766,CCCOc1c(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)cc2)c(C)c1F,UHXDXYLUZQCIIV-UHFFFAOYSA-N
-rxn:4:221975:226048,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ccc(F)c6OC(F)(F)F)cc5)no4)C3C2=O)cc1,ALDBRYYFJWIFEW-UHFFFAOYSA-N
-rxn:4:221976:222982,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(CN7CC[C@@H](O)C7)cc6)c5)no4)C3C2=O)cc1,OSOOPJPLXBUTNF-CGRGFOQSSA-N
-rxn:4:221979:225187,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)ccc6CN6CCOCC6)cc5)no4)C3C2=O)cc1,KWJGGQAPDJVMBJ-UHFFFAOYSA-N
-rxn:4:221982:222396,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1,BLQXRDRTMUVDMO-UHFFFAOYSA-N
-rxn:4:221982:222621,CC(C)Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,BFWGPLDHDOHIRR-UHFFFAOYSA-N
-rxn:4:221982:222658,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CCCCC7)c6)cc5)no4)C3C2=O)cc1,KRVXOERKMMJKSF-UHFFFAOYSA-N
-rxn:4:221982:223186,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnn(C7CCCCO7)c6)cc5)no4)C3C2=O)cc1,JRIKCCIPEFJLIB-UHFFFAOYSA-N
-rxn:4:221982:223662,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OCc7ccccc7)cc6[N+](=O)[O-])cc5)no4)C3C2=O)cc1,MOMRQVHNZMDNDG-UHFFFAOYSA-N
-rxn:4:221982:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C(C)C)cc7)C(=O)C65)n4)cc3)ccc2F)CC1,YCYAIXZYMMJUGQ-UHFFFAOYSA-N
-rxn:4:221982:224182,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1OCCN1CCOCC1,XTEXNAZPZKDYIQ-UHFFFAOYSA-N
-rxn:4:221982:224936,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CC(=O)OC(C)(C)C)cc6)cc5)no4)C3C2=O)cc1,LFJXBHZTDAVQRW-UHFFFAOYSA-N
-rxn:4:221982:225107,CCN(CC)C(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1F,GDRYRDGIDZZCRO-UHFFFAOYSA-N
-rxn:4:221982:225156,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCC7)ccc6F)cc5)no4)C3C2=O)cc1,AHPJJHVUXSOQRT-UHFFFAOYSA-N
-rxn:4:221982:225590,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1,SBRBKBBNMORISP-UHFFFAOYSA-N
-rxn:4:221982:225634,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cnc1N1CCCCC1,BMFISPBDNVMQMJ-UHFFFAOYSA-N
-rxn:4:221982:225770,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(OCC7CC7)cc6F)cc5)no4)C3C2=O)cc1,XRHOVVFNQWPAIB-UHFFFAOYSA-N
-rxn:4:221982:226069,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C7CCCCC7)c6)cc5)no4)C3C2=O)cc1,OVVZMEOOOMTXDD-UHFFFAOYSA-N
-rxn:4:221982:226089,CCN(CC)Cc1ccccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,FJTUYLINEYOTCP-UHFFFAOYSA-N
-rxn:4:221982:226480,CCCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c(F)n1,SCIPXCKVOQHUPX-UHFFFAOYSA-N
-rxn:4:221982:226578,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N(C)C)c(Cl)c6)cc5)no4)C3C2=O)cc1,FVTAUWGHGVCQMK-UHFFFAOYSA-N
-rxn:4:221982:226836,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cn(C(C)C)nc6C(F)(F)F)cc5)no4)C3C2=O)cc1,XGKIIWNSDPLOBJ-UHFFFAOYSA-N
-rxn:4:221982:226890,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)c(C(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1,LEMBKDXGRWSZAA-UHFFFAOYSA-N
-rxn:4:221985:225875,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NZLIHULZPCHHJB-JOCHJYFZSA-N
-rxn:4:221994:225318,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(N6CCOCC6)cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YPHWEBDWKOLERP-UHFFFAOYSA-N
-rxn:4:221995:222684,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LBKVCJOIGLXMBU-UHFFFAOYSA-N
-rxn:4:222008:223602,Cc1nnc(CN2CCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n1C,RESSSXZHIRDIGS-UHFFFAOYSA-N
-rxn:4:222062:222511,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)cc3)CC2)n1,JVJPZIKSMQSWSY-UHFFFAOYSA-N
-rxn:4:222062:222633,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)n1,AGMDCABTZAICMR-UHFFFAOYSA-N
-rxn:4:222062:222655,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)cc3)CC2)n1,VNXQHNHLROUKPT-UHFFFAOYSA-N
-rxn:4:222062:222795,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)N5CCOCC5)cc4)cc3)CC2)n1,JWNBPQISSNNRFW-UHFFFAOYSA-N
-rxn:4:222062:222867,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,IBXLKUXSSAKDLX-UHFFFAOYSA-N
-rxn:4:222062:223182,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,HNZTUEZMGSRUIG-UHFFFAOYSA-N
-rxn:4:222062:223280,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCNC5)nc4)cc3)CC2)n1,BMCKHYGGAOGXSM-UHFFFAOYSA-N
-rxn:4:222062:223531,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)n1,SPHJIAZGLRMQOB-UHFFFAOYSA-N
-rxn:4:222062:223598,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc3)CC2)n1,PYVFGONCDAJMCL-UHFFFAOYSA-N
-rxn:4:222062:223811,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cc3)CC2)n1,DKKHYGMEEOFSJP-UHFFFAOYSA-N
-rxn:4:222062:223816,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc3)CC2)n1,GRORETXRBZPLHA-UHFFFAOYSA-N
-rxn:4:222062:223938,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5cc(Cl)ccc5n4C(=O)OC(C)(C)C)cc3)CC2)n1,JYVNCLIOKNDVQI-UHFFFAOYSA-N
-rxn:4:222062:224060,COc1c(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1C(C)(C)C,KXLCPMHHRRHDBB-UHFFFAOYSA-N
-rxn:4:222062:224120,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)c(C)c4)cc3)CC2)n1,BTIUCBWCDVXHCR-UHFFFAOYSA-N
-rxn:4:222062:224201,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C)nc4OCc4ccccc4)cc3)CC2)n1,HPMFIEVCABPDGO-UHFFFAOYSA-N
-rxn:4:222062:224882,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCCCCC5)cc4)cc3)CC2)n1,NNZMHDRKPUGMTL-UHFFFAOYSA-N
-rxn:4:222062:225408,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)CC2)n1,PFVCTIAMHYIRJM-UHFFFAOYSA-N
-rxn:4:222062:225924,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N(C)C)cc4C)cc3)CC2)n1,QGVDMDOMPMGRON-UHFFFAOYSA-N
-rxn:4:222062:225989,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5nc(C(F)(F)F)cn5c4)cc3)CC2)n1,NNQRZCJQIDLBAD-UHFFFAOYSA-N
-rxn:4:222062:226336,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)c(C5CC5)cc4Cl)cc3)CC2)n1,JTTWMNMGHLATSS-UHFFFAOYSA-N
-rxn:4:222062:226452,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5OCCCO5)cc4)cc3)CC2)n1,YTQTVFIOPYYWFO-UHFFFAOYSA-N
-rxn:4:222062:226762,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(C(F)(F)F)c1,VMWAKRUWTBRCPS-UHFFFAOYSA-N
-rxn:4:222062:226919,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CCCC5)c4)cc3)CC2)n1,MDYABVZYGZIMNG-UHFFFAOYSA-N
-rxn:4:222062:227039,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)(C)C)cc4)cc3)CC2)n1,NLJBBMPIXPNUPZ-UHFFFAOYSA-N
-rxn:4:222062:227663,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(C(F)(F)F)c4)cc3)CC2)n1,ZXIIMVZVLBAJPY-UHFFFAOYSA-N
-rxn:4:222062:227824,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC5)cc4)cc3)CC2)n1,HPPHDFBOVXANDF-UHFFFAOYSA-N
-rxn:4:222062:228516,CCc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,VXPIQFMHBYJZJC-UHFFFAOYSA-N
-rxn:4:222089:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,WNWNCAUSVPTPJG-UHFFFAOYSA-N
-rxn:4:222089:222847,N#Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)c1,RUUMBWQMQQJGIT-UHFFFAOYSA-N
-rxn:4:222089:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,QJFXMNUKTYOYLI-UHFFFAOYSA-N
-rxn:4:222089:222952,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(NC(=O)C(F)(F)F)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HVJOQYCGGOOKDO-UHFFFAOYSA-N
-rxn:4:222089:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc(C(F)(F)F)c2)CC1,AYTPBJKXZAOYFX-UHFFFAOYSA-N
-rxn:4:222089:224022,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PRKBDYFCMIVYTB-UHFFFAOYSA-N
-rxn:4:222089:224088,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCCCCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GUOODCWHRZRFLB-UHFFFAOYSA-N
-rxn:4:222089:224359,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,OQIDMQUMZNUQIU-UHFFFAOYSA-N
-rxn:4:222089:224414,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)F)nc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,HQLZWSNSZFKYBV-UHFFFAOYSA-N
-rxn:4:222089:225160,O=C(c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1Cl)N1CCCC1,MRXXFHJDYHABCS-UHFFFAOYSA-N
-rxn:4:222089:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,MLMQCFHAGYONRP-UHFFFAOYSA-N
-rxn:4:222102:223652,COc1ccc(Cl)c2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)cc7)C(=O)C65)n4)cc3)n(C(=O)OC(C)(C)C)c12,PTAHZNLCWJHLEY-UHFFFAOYSA-N
-rxn:4:222102:224624,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(Cl)ccc6C(=O)OCC(C)(C)C)cc5)no4)C3C2=O)cc1,ZSAULGRSLOBAEO-UHFFFAOYSA-N
-rxn:4:222102:224683,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCCCC7)c6)cc5)no4)C3C2=O)cc1,SQNCCUWQYMKOHI-UHFFFAOYSA-N
-rxn:4:222102:224847,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(C)(C)C)ccc6C(C)(C)C)cc5)no4)C3C2=O)cc1,MSRFXYJAPGSSDL-UHFFFAOYSA-N
-rxn:4:222102:224904,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)C7CCCCC7)cc6)cc5)no4)C3C2=O)cc1,FGHKUHYZEABTNF-UHFFFAOYSA-N
-rxn:4:222102:224953,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCC7CCCCC7)nc6)cc5)no4)C3C2=O)cc1,AOJUILVDWXDOCE-UHFFFAOYSA-N
-rxn:4:222102:225094,CCCOc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc(Cl)c1OCC,JEJISGOXACLGAF-UHFFFAOYSA-N
-rxn:4:222102:225173,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCC7)cc6F)cc5)no4)C3C2=O)cc1,IOKARNZMXGOUMQ-UHFFFAOYSA-N
-rxn:4:222102:225202,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,DJOBSXWDMIAPQX-UHFFFAOYSA-N
-rxn:4:222102:225277,COC(=O)c1c(OC)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)cc6)C(=O)C54)n3)cc2)cc1OC,ZDVRUNOTPDITSO-UHFFFAOYSA-N
-rxn:4:222102:225380,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)cc5)no4)C3C2=O)cc1,WYXXYVPERMTPAR-UHFFFAOYSA-N
-rxn:4:222102:225387,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc([N+](=O)[O-])cc(C(F)(F)F)c6F)cc5)no4)C3C2=O)cc1,ORYSTEVZRGLYSW-UHFFFAOYSA-N
-rxn:4:222108:222454,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6NC(=O)c6cccc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,ISMZBDQUMXLHGX-UHFFFAOYSA-N
-rxn:4:222108:222847,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1F,BOZKMQZQDCOEQK-UHFFFAOYSA-N
-rxn:4:222108:223928,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(c6)CN(C(=O)OC(C)(C)C)CC7)cc5)no4)C3C2=O)cc1F,QELNIYVFJDUYDR-UHFFFAOYSA-N
-rxn:4:222108:223952,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCN(C)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1F,BTGSSBZHKZSSME-UHFFFAOYSA-N
-rxn:4:222108:224575,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCC(C)CC7)cc6C#N)cc5)no4)C3C2=O)cc1F,LFOVNZHSLGSNGG-UHFFFAOYSA-N
-rxn:4:222108:225101,CCN(CC)C(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)ccc1Cl,MYRVXIROYWZLHS-UHFFFAOYSA-N
-rxn:4:222108:225158,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCSCC7)cc6)cc5)no4)C3C2=O)cc1F,JVFIUWQQXJBUMX-UHFFFAOYSA-N
-rxn:4:222108:225312,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCCN(C)CC7)nc6)cc5)no4)C3C2=O)cc1F,IFTLQUZXVUDQMA-UHFFFAOYSA-N
-rxn:4:222108:226499,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccn6C(=O)OC(C)(C)C)cc5)no4)C3C2=O)cc1F,XAMQJGIMRYISPX-UHFFFAOYSA-N
-rxn:4:222120:222622,CCC(C)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,HIANREQRQFEJQL-UHFFFAOYSA-N
-rxn:4:222120:222796,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(S(=O)(=O)NC(C)(C)C)ccc6C)cc5)no4)C3C2=O)cc1C,UFPPMUXBEJUWEB-UHFFFAOYSA-N
-rxn:4:222120:222982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CC[C@@H](O)C7)cc6)cc5)no4)C3C2=O)cc1C,KUEDVPXTFKCPDR-CSJMBUEXSA-N
-rxn:4:222120:223008,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCNCC7)ccc6F)cc5)no4)C3C2=O)cc1C,MVTGPVAPUFLMCQ-UHFFFAOYSA-N
-rxn:4:222120:223811,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC8(CC7)OCCO8)c(Cl)c6)cc5)no4)C3C2=O)cc1C,ZGIALLKKNUWRCG-UHFFFAOYSA-N
-rxn:4:222120:224703,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CCCC7)cc(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1C,VECMNFQWPSYTMJ-UHFFFAOYSA-N
-rxn:4:222120:224976,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCCCC7)c6C#N)cc5)no4)C3C2=O)cc1C,UHGGOUAREMUQNH-UHFFFAOYSA-N
-rxn:4:222120:225170,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)ccc6CN6CCOCC6)cc5)no4)C3C2=O)cc1C,BWVPGNBHWSRABG-UHFFFAOYSA-N
-rxn:4:222120:225333,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(COCC(F)(F)F)c(F)c6)cc5)no4)C3C2=O)cc1C,MWYLSVLYTAYOFA-UHFFFAOYSA-N
-rxn:4:222120:225633,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCCC7)nc6)cc5)no4)C3C2=O)cc1C,OTHGMCCSUSRJKZ-UHFFFAOYSA-N
-rxn:4:222120:225906,CON(C)C(=O)c1cc(F)cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c1,SMCGNZUXRIUTCE-UHFFFAOYSA-N
-rxn:4:222149:222622,CCC(C)c1cc(-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)cc(C2CCCNC2)n1,NSGMUBRGJLEWJM-UHFFFAOYSA-N
-rxn:4:222157:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(-c6ccco6)nn5)CC4)nc3)cc2[N+](=O)[O-])CC1,AHTBFLUUBMJBNA-UHFFFAOYSA-N
-rxn:4:222193:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc2c(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)n(C)nc2c1,FHTHFLVCIGHXPR-UHFFFAOYSA-N
-rxn:4:222251:222583,CN(c1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C#N)C1CN(c2nccnc2C#N)C1,BHXGVUMKOQTJDZ-UHFFFAOYSA-N
-rxn:4:222264:222540,CN(C(=O)c1cncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1,DAHNGWMIWRVTAY-UHFFFAOYSA-N
-rxn:4:222273:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)c3)cc2)CC1,LJFRIFBFBTTWCK-UHFFFAOYSA-N
-rxn:4:222275:222684,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)o5)CC4)ncnc32)cc1,XBTUJLPUFVSVCR-UHFFFAOYSA-N
-rxn:4:222304:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5nccn6c(C)nnc56)C4)nc3)cc2)CC1,BXQGYACKPWZJKJ-UHFFFAOYSA-N
-rxn:4:222318:222583,Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(-c6ccc(C(=O)NCCN7CCOCC7)cc6)c5)CC4)ncnc32)cc1,QOZVGOZFEUHABJ-UHFFFAOYSA-N
-rxn:4:222328:224372,Cc1cc(N2CCN(c3ncc(-c4cc(C(=O)N5CCCC5)cc([N+](=O)[O-])c4)cn3)CC2)nc(N(C)C)n1,HPPRGSMSVDEPJB-UHFFFAOYSA-N
-rxn:4:222332:224612,c1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)n1,AWEVKYCISZKRPO-UHFFFAOYSA-N
-rxn:4:222334:222389,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,MYZKTRVCJITOJM-UHFFFAOYSA-N
-rxn:4:222335:222630,Cc1cc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)nc(N2CCCC2)n1,ODCGDBRTRJOBCK-UHFFFAOYSA-N
-rxn:4:222362:222540,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FWAWHRYQWGFWGU-UHFFFAOYSA-N
-rxn:4:222380:223948,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c6)cn5)CC4C3)ncnc21,VVCDRHWBPHNLTM-UHFFFAOYSA-N
-rxn:4:222380:224063,CCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C7CC7)cc(N7CCCC(C)C7)c6)cn5)CC4C3)ncnc21,SNHJDYTVYRCKOD-UHFFFAOYSA-N
-rxn:4:222380:224267,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(N7CCC8(CC7)OCCO8)c6)cn5)CC4C3)ncnc21,QTUSCQQAGQZSAF-UHFFFAOYSA-N
-rxn:4:222387:223506,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CCO4)c3n2)cn1,IXUUPQCWWNVINA-UHFFFAOYSA-N
-rxn:4:222393:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1,NXEOPZDMIFZGNW-IYARVYRRSA-N
-rxn:4:222402:187669,CCCNC(=O)Nc1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,JEVZNGZFEZGBMN-UHFFFAOYSA-N
-rxn:4:222404:184219,CC(C)(C)OC(=O)n1c(-c2ccc(C3NC(=O)NC3=O)cc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,ACWQZYUSCZRWBQ-UHFFFAOYSA-N
-rxn:4:222513:187307,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc([N+](=O)[O-])c(C)cc1OCC1CCCCC1,YPTXAZLRBRSAGB-UHFFFAOYSA-N
-rxn:4:222542:186629,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1ccc(C)c(OCCCN2CCNCC2)c1,HYZPNUUAHBTWGD-UHFFFAOYSA-N
-rxn:4:222581:183928,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c2ccccc12,MOYRDPLBSJJXLK-UHFFFAOYSA-N
-rxn:4:222602:175163,CC(=O)C(Sc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc1)C(C)=O,HBBCIMKRHHJIIR-UHFFFAOYSA-N
-rxn:4:222623:187191,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)cc1,FUHIEMAYVKPWBN-UHFFFAOYSA-N
-rxn:4:222623:215262,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)cc(C2CCNCC2)n1,FJWBOJXOULMTQZ-UHFFFAOYSA-N
-rxn:4:222682:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2cccc(OC)c2NC(=O)OC(C)(C)C)cc1,LBTSHOLEGJSCMO-UHFFFAOYSA-N
-rxn:4:222751:194697,Cc1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1NC(=O)OC(C)(C)C,YHLGWZYZFSRKCZ-UHFFFAOYSA-N
-rxn:4:222820:219242,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1F,GRVVIPLYCBNYTE-UHFFFAOYSA-N
-rxn:4:222950:215989,CONS(=O)(=O)c1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ccc1OC,ZNMHFSOBVKMFBL-UHFFFAOYSA-N
-rxn:4:222960:178594,Cc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C2CCNCC2)c1,XXOMMGXRTIVUDS-UHFFFAOYSA-N
-rxn:4:222981:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(NC5CCCCC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WPSQGALSTRYUPS-UHFFFAOYSA-N
-rxn:4:223002:218710,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C5CCNCC5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FEZHIHBQCSKTMH-UHFFFAOYSA-N
-rxn:4:223080:204752,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccccc3)cc2)cc1,WZRQFVKHZZUWAA-UHFFFAOYSA-N
-rxn:4:223080:219687,CC(C)NS(=O)(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,UDVDGXFFOVMEPE-UHFFFAOYSA-N
-rxn:4:223082:185354,CNS(=O)(=O)c1c(C)cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C,QXXWYHZJMJKXDH-UHFFFAOYSA-N
-rxn:4:223091:214835,CC(C)(C)OC(=O)Nc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)s1,CSCMNGIXHUFTKL-UHFFFAOYSA-N
-rxn:4:223093:187491,CC1CN(C(=O)COc2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)CC(C)(C)O1,AYHCSDICIXADPZ-UHFFFAOYSA-N
-rxn:4:223490:215628,Cc1ccc(-c2cnc(-c3cnc(C4CC4)nc3)s2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GFMMRMJLFDWCFW-UHFFFAOYSA-N
-rxn:4:223520:194524,CC(c1ccc(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JDTIUSVBDBHOMC-UHFFFAOYSA-N
-rxn:4:223540:176555,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1CCS(=O)(=O)[O-],BIZDIRIEZUJCSH-UHFFFAOYSA-M
-rxn:4:223581:175704,COC(=O)CC1CC(c2cccc(-c3cc4cccc(C(=O)OC)c4n3C(=O)OC(C)(C)C)c2)C1,KIUZLBXNMKSBLC-UHFFFAOYSA-N
-rxn:4:223840:219698,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(OC)c(S(=O)(=O)N5CCN(C)CC5)c4)cc2)c(=O)c3=O)cc1,QSGLFWBIZIFCPJ-UHFFFAOYSA-N
-rxn:4:223980:206451,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)F)C4)c(F)c3)c2)CC1,DAOQENCQFKTOMP-UHFFFAOYSA-N
-rxn:4:223980:206981,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C)c3)c2)CC1,DPDSFRBPUIFYMX-UHFFFAOYSA-N
-rxn:5:177185:223063:225507,COC(=O)C1CCc2cc(-c3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3C(=O)OC(C)C)ccc21,RFRYTNQVCZMWFG-UHFFFAOYSA-N
-rxn:5:177185:225976:226583,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,DLNCQMXOIVHSLZ-UHFFFAOYSA-N
-rxn:5:177185:225982:225632,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cccc(N2CCN(C)CC2)c1,IBCQNSPTHRGLKS-UHFFFAOYSA-N
-rxn:5:177185:226661:222996,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1-c1ccc(F)cc1C1CCCNC1,LBUJUUSLPLHPCJ-UHFFFAOYSA-N
-rxn:5:177186:226661:223006,CCOC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C,WKIVPDIWRDNMDM-UHFFFAOYSA-N
-rxn:5:177190:223054:226186,CCS(=O)(=O)Cc1ccc(-c2ccccc2C2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,GEPTVVDLVJIIJS-UHFFFAOYSA-N
-rxn:5:177190:225805:227449,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,PQFKABSMSNAMOR-UHFFFAOYSA-N
-rxn:5:177191:222996:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)cc4C4CCCNC4)c3)c2)CCC1,ZFRSCXZQNHEIOC-UHFFFAOYSA-N
-rxn:5:177191:225440:223008,N#CC1(c2ccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)cc2)CCCC1,CWERDOCMRGCCPQ-UHFFFAOYSA-N
-rxn:5:177373:227803:225784,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(CN3CCOCC3)nc2)ccc1OCC1OCCO1,YQZPFISHLRLNFG-UHFFFAOYSA-N
-rxn:5:177373:227804:225834,O=[N+]([O-])c1cc(-c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,PWVHPFZQSURAFP-UHFFFAOYSA-N
-rxn:5:177729:223132:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCNCC5)c4)ccc3C(=O)OC(C)(C)C)cn2)CC1,PPCRTZBRTXTLHB-UHFFFAOYSA-N
-rxn:5:177729:225636:223131,CC1CCN(c2cc(-c3ccc(C(=O)OC(C)(C)C)c(-c4ccc(N5CCNCC5)cc4)c3)ccn2)CC1,RGSQRXKMXOBITJ-UHFFFAOYSA-N
-rxn:5:177731:223054:226649,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,YBYANCNHJLTJAE-UHFFFAOYSA-N
-rxn:5:177731:225833:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,SQMPACGTFIBLDB-UHFFFAOYSA-N
-rxn:5:177732:225439:223061,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(C3CCNCC3)ncc2F)c1)N1CCCC1,KQQBQMUPRIFEBL-UHFFFAOYSA-N
-rxn:5:177734:223294:225982,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cnc(N3CCOCC3)cc2F)cc1C(=O)OC(C)C,YIKKIEMUVACREQ-UHFFFAOYSA-N
-rxn:5:177737:223294:225982,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1csc(N2CCNCC2)n1,ZAVIGJLHCCERGO-UHFFFAOYSA-N
-rxn:5:177739:223054:223132,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cccc(N3CCNCC3)c2)s1)N1CCC(O)C1,NRXXZWSGSWVSHJ-UHFFFAOYSA-N
-rxn:5:177739:226085:225450,CC(C)(C)OC(=O)c1cccc(-c2ccc3c(c2)CCC(C)(C)O3)c1-c1ccc(C(=O)C2CCCC2)cc1,HTHMVUYPYZALSF-UHFFFAOYSA-N
-rxn:5:177850:225986:223240,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCNC2)nc1,FXJVOMLIDWITSX-UHFFFAOYSA-N
-rxn:5:177850:228016:225986,CCOc1ccc(-c2cc(C3CCCC3)cs2)c(C2OCCO2)c1-c1ccccc1N1CCCS1(=O)=O,QPYHFQMXKSBIAC-UHFFFAOYSA-N
-rxn:5:177891:222418:226177,NS(=O)(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCCC3)c2)cc1,AJMOPYZXWUJJDR-UHFFFAOYSA-N
-rxn:5:177891:223285:226177,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(C2CCCCC2)c1,QCFVKGWQHATUAV-UHFFFAOYSA-N
-rxn:5:177891:225633:223286,CS(=O)(=O)Nc1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCCC3)nc2)c1,UNKSIVGPWBQSDA-UHFFFAOYSA-N
-rxn:5:177891:225798:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,BPKMBPLKSWQNAR-UHFFFAOYSA-N
-rxn:5:177891:226335:227119,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C3CCCCC3)cs2)ccc1C1COC1,MXWNQWBLDCIBAP-UHFFFAOYSA-N
-rxn:5:177891:226447:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCOCC2)c1,OCGBFSYXSTZTDU-UHFFFAOYSA-N
-rxn:5:177891:226447:227446,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)cc1)c1ccccc1-c1ccnc(C2CCOCC2)c1,YJFIYGRZABMGPK-UHFFFAOYSA-N
-rxn:5:177891:226572:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1cnc(OC2CCCC2)nc1,OYQJOZXTNKQFGZ-UHFFFAOYSA-N
-rxn:5:177891:227656:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCOCC3)cs2)s1)N1CCOCC1,YKJKSEGDDHBZOO-UHFFFAOYSA-N
-rxn:5:177891:228211:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1cc(N2CCCC2)cs1,PDTQPUJZBGPJPG-UHFFFAOYSA-N
-rxn:5:178119:223056:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(C2(O)COC2)nc1,XBWJYPXKHVXWBA-UHFFFAOYSA-N
-rxn:5:178119:225871:227361,COc1cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2cccc(N3C(=O)C=CC3=O)c2)c(OC)cc1C,XQSXFKZSHDRLDY-UHFFFAOYSA-N
-rxn:5:178119:227069:223018,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(C)C)c1,ROSIMWJSXNRAMN-UHFFFAOYSA-N
-rxn:5:178120:226661:227710,CN1CCN(c2csc(-c3cccc(OCC4CCOCC4)c3-c3ccc(OS(C)(=O)=O)cc3)c2)CC1,JBGMGVKTWMEHRQ-UHFFFAOYSA-N
-rxn:5:178122:225674:227568,COc1cc(F)c(-c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c(OC)c1,CVTBPOJYTQXAKC-UHFFFAOYSA-N
-rxn:5:178122:227501:222988,Cc1cc(-c2cc(-c3ccc(C=C[N+](=O)[O-])cc3)ccc2COC2CCCCO2)cc(C2CCNCC2)n1,SYPJDVAMLLDJDL-UHFFFAOYSA-N
-rxn:5:178226:225671:227587,COc1cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C3CCCCC3)ncc2F)cc(F)c1OC,KNJUHVNMDOKKHW-UHFFFAOYSA-N
-rxn:5:178295:223231:228566,CNC(=O)c1ccc(-c2ccc(-c3ccsc3CC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,YCVTZRKLFYWBMF-UHFFFAOYSA-N
-rxn:5:178295:223270:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3NC(C)=O)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SGQVFMDTUJYDHE-UHFFFAOYSA-N
-rxn:5:178295:223271:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc(F)c(NC(C)=O)c2)CCC(=O)CC1,XEOQKJRVIHYBGI-UHFFFAOYSA-N
-rxn:5:178295:223284:228562,CCC(C)c1csc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ISFAFBDBIAWGGJ-UHFFFAOYSA-N
-rxn:5:178295:223285:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,BXTXXUBIXUNGBD-UHFFFAOYSA-N
-rxn:5:178295:223286:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cccc(NS(C)(=O)=O)c2)CCC(=O)CC1,ZQYBRYIAIZTQSL-UHFFFAOYSA-N
-rxn:5:178295:223357:227039,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)cc3)ccc2-c2ccccc2NC(C)=O)CCC(=O)CC1,JXDGALXCDPHYLF-UHFFFAOYSA-N
-rxn:5:178295:223358:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,BJCABDAJJFWXER-UHFFFAOYSA-N
-rxn:5:178295:223401:226058,CNc1cc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1C,NEJXWDAJYVUXCL-UHFFFAOYSA-N
-rxn:5:178295:225450:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,FRFTYEOGTSNRTC-UHFFFAOYSA-N
-rxn:5:178295:225454:228516,CCc1cc(C)cc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RLKILTUZNFRGGO-UHFFFAOYSA-N
-rxn:5:178295:225499:228697,COCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,ZKXOLTCBCHSMBH-UHFFFAOYSA-N
-rxn:5:178295:225593:228562,CCC(C)c1csc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RAFNYACFZWUZBA-UHFFFAOYSA-N
-rxn:5:178295:226058:228278,COC(=O)C1(c2cc(-c3cc(F)c(C)cc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,NRWPAIODWCKWIV-UHFFFAOYSA-N
-rxn:5:178295:226058:228557,COCc1cccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LBGISFYUOHCFPU-UHFFFAOYSA-N
-rxn:5:178295:226058:229015,COC(=O)C1(c2cc(-c3ccsc3C(C)C)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,WRVBXSQBJIMMHM-UHFFFAOYSA-N
-rxn:5:178295:226059:223397,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN4)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,RPRSCGVEMQMJPX-UHFFFAOYSA-N
-rxn:5:178295:226059:228317,COC(=O)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZKRMZLKNPNOYLZ-UHFFFAOYSA-N
-rxn:5:178295:226061:227932,COCc1ccc(C)c(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YNERHMXMRFBVRQ-UHFFFAOYSA-N
-rxn:5:178295:226067:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(C3=CCCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,FPVNOPOQICTULF-UHFFFAOYSA-N
-rxn:5:178295:226068:228648,COC(=O)C1(c2cc(-c3cc(C)cc(C)c3F)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,NFERDLPBROUAHQ-UHFFFAOYSA-N
-rxn:5:178295:226131:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccccc2CN2CCCC2)CCC(=O)CC1,OKVLQKAXMGGPEF-UHFFFAOYSA-N
-rxn:5:178295:226144:228505,CCCc1ccc(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,CELCFAFFHCOQGX-UHFFFAOYSA-N
-rxn:5:178295:226144:228772,CCc1c(-c2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccnc1F,MKTGYLCRTIIJLM-UHFFFAOYSA-N
-rxn:5:178295:226322:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,KHLVSGRGJLXGJS-UHFFFAOYSA-N
-rxn:5:178295:226322:228571,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,BKNNMJMSNLEJOE-UHFFFAOYSA-N
-rxn:5:178295:226341:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,FQIRVXBSOVBJDO-UHFFFAOYSA-N
-rxn:5:178295:226350:228594,CCc1cc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,WUPDIZYIMMJPMR-UHFFFAOYSA-N
-rxn:5:178295:226575:228549,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,AYJNNSXGTZSMBC-UHFFFAOYSA-N
-rxn:5:178295:226576:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RLTLIBADRXSUGU-UHFFFAOYSA-N
-rxn:5:178295:226580:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VPEFRZLDNCQTLH-UHFFFAOYSA-N
-rxn:5:178295:226907:227298,COC(=O)C1(c2cc(-c3cc(F)ccc3CN(C)C)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,VYPTWTFRWWIXGM-UHFFFAOYSA-N
-rxn:5:178295:226910:227040,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C)ccc3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,HOWCJCZWMRCLNW-UHFFFAOYSA-N
-rxn:5:178295:226910:227841,CCC(C)(C)c1ccc(-c2ccc(-c3c(C)c(C)cc(C)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,TVJHXTNYDACIIW-UHFFFAOYSA-N
-rxn:5:178295:226911:226064,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,IOPBJHARBYNNDI-UHFFFAOYSA-N
-rxn:5:178295:226913:228258,CCc1cc(-c2ccc(-c3c(C)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,QOQZECYJXQGBSZ-UHFFFAOYSA-N
-rxn:5:178295:226968:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,TXVBHNCOTLPYBE-UHFFFAOYSA-N
-rxn:5:178295:226969:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,VHZWYFXXWAPLMA-UHFFFAOYSA-N
-rxn:5:178295:227023:227908,COC(=O)C1(c2cc(-c3cccnc3CC(C)C)ccc2-c2ccc(C(C)N(C)C)cc2)CCC(=O)CC1,RNWDAIHYNTVHRY-UHFFFAOYSA-N
-rxn:5:178295:227038:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VVDZTLXGUZANMZ-UHFFFAOYSA-N
-rxn:5:178295:227046:228178,COCc1ccc(F)c(-c2ccc(-c3cc(C)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LDQUBMDEDBSRMP-UHFFFAOYSA-N
-rxn:5:178295:227052:227108,COC(=O)C1(c2cc(-c3cc(C4CCC4)ccc3F)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,XKURTPCPMGCYNP-UHFFFAOYSA-N
-rxn:5:178295:227068:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SKASHPVELHILJZ-UHFFFAOYSA-N
-rxn:5:178295:227069:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,QYFUYEXVVGHWEJ-UHFFFAOYSA-N
-rxn:5:178295:227069:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,UQWZQDKMOLVNJO-UHFFFAOYSA-N
-rxn:5:178295:227069:228631,COC(=O)C1(c2cc(-c3ccsc3C3CCC3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,XTDWZEPIIYVIAR-UHFFFAOYSA-N
-rxn:5:178295:227071:225499,COCc1cc(C)c(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,KBHQUJLPJHGTIS-UHFFFAOYSA-N
-rxn:5:178295:227071:228407,COCc1cc(C)c(-c2ccc(-c3c(OC)ccc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,XEZDVJDCNVUGCI-UHFFFAOYSA-N
-rxn:5:178295:227075:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,WTRZJLOWIJLPTR-UHFFFAOYSA-N
-rxn:5:178295:227075:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,NBFIDTNGALMIHL-UHFFFAOYSA-N
-rxn:5:178295:227076:228437,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(F)F)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZJXCQUJTCZQHCS-UHFFFAOYSA-N
-rxn:5:178295:227077:226923,CCC(C)c1ccc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,RSTMQPSYXVQHMW-UHFFFAOYSA-N
-rxn:5:178295:227077:227696,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KPYRLQNEGTUROA-UHFFFAOYSA-N
-rxn:5:178295:227077:227837,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LDRHAAOVVKQYRK-UHFFFAOYSA-N
-rxn:5:178295:227077:227971,CCC(C)c1ccc(-c2ccc(-c3cnccc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,HOPGIGNRNJIPRT-UHFFFAOYSA-N
-rxn:5:178295:227079:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,VWVFDOUTOHJAMY-UHFFFAOYSA-N
-rxn:5:178295:227088:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)nc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JIVRYEXIMRTERR-UHFFFAOYSA-N
-rxn:5:178295:227102:228146,CCc1cncc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,ILCGRTXEBLREQR-UHFFFAOYSA-N
-rxn:5:178295:227107:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RBVPMSWPQXALHV-UHFFFAOYSA-N
-rxn:5:178295:227124:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(C)(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,FLIVIBCYKLSUMM-UHFFFAOYSA-N
-rxn:5:178295:227185:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)N(C)CCO3)CCC(=O)CC1,PRVWTKMDCCGHGQ-UHFFFAOYSA-N
-rxn:5:178295:227205:228393,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3OC)ccc2-c2cccc3c2OCCCO3)CCC(=O)CC1,ZCGJVLXRVKNOJE-UHFFFAOYSA-N
-rxn:5:178295:227286:228393,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3OC)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,HDHVCJHDYMDEJJ-UHFFFAOYSA-N
-rxn:5:178295:227287:227913,COC(=O)C1(c2cc(-c3ccc(OC(C)C)cc3)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,ADSNIAVLXZQMBI-UHFFFAOYSA-N
-rxn:5:178295:227287:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,WNSJQOOFTMQLBR-UHFFFAOYSA-N
-rxn:5:178295:227288:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccccc3C(=O)N(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MPKFHTJPOXSVFM-UHFFFAOYSA-N
-rxn:5:178295:227289:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cccnc2OC(C)(C)C)CCC(=O)CC1,XTMPFLNJOFQMEA-UHFFFAOYSA-N
-rxn:5:178295:227298:227909,CCC(C)c1cc(-c2ccc(-c3cc(F)ccc3CN(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,JTVVTNNSNGQACZ-UHFFFAOYSA-N
-rxn:5:178295:227299:228178,COCc1ccc(F)c(-c2ccc(-c3cc(F)cc(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YZBTVDRKBBFOEV-UHFFFAOYSA-N
-rxn:5:178295:227309:228628,CCC(C)c1cc(-c2ccc(-c3cc(C4CCC4)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,AGYWHIPPIGKMBN-UHFFFAOYSA-N
-rxn:5:178295:227312:227079,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,SBPMZAAMCSPTIH-UHFFFAOYSA-N
-rxn:5:178295:227312:227936,CCC(C)c1ccc(-c2ccc(-c3cccc(SC4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,YFXGFIVLZIMVIK-UHFFFAOYSA-N
-rxn:5:178295:227313:227102,CCC(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,VBGDCYVMFZFUIS-UHFFFAOYSA-N
-rxn:5:178295:227314:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(CC(C)C)nc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DLZZFOYCVGUVQP-UHFFFAOYSA-N
-rxn:5:178295:227317:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2ccnc(OC(C)(C)C)c2)CCC(=O)CC1,XZGUVGCLDRMILY-UHFFFAOYSA-N
-rxn:5:178295:227319:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(CC(C)C)ncc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,SKJXCMLNMHMWJH-UHFFFAOYSA-N
-rxn:5:178295:227319:227910,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DYNJTIMTZQKULO-UHFFFAOYSA-N
-rxn:5:178295:227336:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(F)cc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,SCGBAGAHCZVYHZ-UHFFFAOYSA-N
-rxn:5:178295:227339:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UNWVLGRFQMDZOI-UHFFFAOYSA-N
-rxn:5:178295:227346:227288,CCCc1cc(F)c(-c2ccc(-c3ccccc3C(=O)N(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,VXWMKELVVKAUOQ-UHFFFAOYSA-N
-rxn:5:178295:227352:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KGKZCGGLTMLCQB-UHFFFAOYSA-N
-rxn:5:178295:227353:228395,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3OC)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,LPIYJFDQVQQCJH-UHFFFAOYSA-N
-rxn:5:178295:227409:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(C(C)(C)C)ncc2F)CCC(=O)CC1,YEDSKFJXZHFRAE-UHFFFAOYSA-N
-rxn:5:178295:227508:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C)nc(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,XAANPYRQZXVRHN-UHFFFAOYSA-N
-rxn:5:178295:227519:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AUGXKDHLIGROGL-UHFFFAOYSA-N
-rxn:5:178295:227519:227810,CCC(C)c1ccc(-c2ccc(-c3cnc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,IOHHXWWOTHNIAH-UHFFFAOYSA-N
-rxn:5:178295:227519:227831,CCc1c(C)cc(-c2ccc(-c3cnc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,VIJMVXAKSVJPMT-UHFFFAOYSA-N
-rxn:5:178295:227534:228156,CCOc1cc(F)c(-c2ccc(-c3cc(OC)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,JXCAZKNVDDEPTF-UHFFFAOYSA-N
-rxn:5:178295:227568:227868,COC(=O)C1(c2cc(-c3ccc4c(c3)OCCC4)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,DIAFKUUFVADGNC-UHFFFAOYSA-N
-rxn:5:178295:227568:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,KTLSQTPRMKYQJU-UHFFFAOYSA-N
-rxn:5:178295:227568:228170,CCOc1ccc(F)cc1-c1ccc(-c2c(F)cc(OC)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,WPQGMONCHZPFLT-UHFFFAOYSA-N
-rxn:5:178295:227568:228179,COCc1cc(F)cc(-c2ccc(-c3c(F)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BTHIIPAAIAHNPH-UHFFFAOYSA-N
-rxn:5:178295:227568:228623,COC(=O)C1(c2cc(-c3sccc3C3CCC3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,AOMQELNHONBXMT-UHFFFAOYSA-N
-rxn:5:178295:227591:228393,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3OC)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,NIQNQNZVTBGACF-UHFFFAOYSA-N
-rxn:5:178295:227701:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,ABNWPKYOMNNNAE-UHFFFAOYSA-N
-rxn:5:178295:227705:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cnc(C(F)F)cc2OC)CCC(=O)CC1,OYJZSWKIQFDESU-UHFFFAOYSA-N
-rxn:5:178295:227706:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,XXRONQSLBNQTBC-UHFFFAOYSA-N
-rxn:5:178295:227807:227023,COC(=O)C1(c2cc(-c3ccc(C(C)N(C)C)cc3)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,BGDIWSJAXGHRKA-UHFFFAOYSA-N
-rxn:5:178295:227807:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,IESIVAAOOLYWKD-UHFFFAOYSA-N
-rxn:5:178295:227810:226580,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ZOONVSNIFFFLQG-UHFFFAOYSA-N
-rxn:5:178295:227816:226910,CCCc1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,LJWFAJDBWARNLR-UHFFFAOYSA-N
-rxn:5:178295:227817:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,BJFOPXQZFKNXJC-UHFFFAOYSA-N
-rxn:5:178295:227819:227046,CCc1cc(CC)cc(-c2ccc(-c3cc(C)cc(OC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UWUJAOUZGWGPOW-UHFFFAOYSA-N
-rxn:5:178295:227819:227346,CCCc1cc(F)c(-c2ccc(-c3cc(CC)cc(CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VEVUOTBMYYCPOE-UHFFFAOYSA-N
-rxn:5:178295:227819:227363,CCc1cc(CC)cc(-c2ccc(-c3cccc(F)c3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KCLYXIJADHGLOO-UHFFFAOYSA-N
-rxn:5:178295:227822:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(C)cccc2C(C)C)CCC(=O)CC1,FFIOZCBEGVUIKB-UHFFFAOYSA-N
-rxn:5:178295:227826:223271,COC(=O)C1(c2cc(-c3ccc(F)c(NC(C)=O)c3)ccc2-c2cccc(C(C)(C)C)c2)CCC(=O)CC1,GKEIHWRYOFSFHB-UHFFFAOYSA-N
-rxn:5:178295:227835:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C)c(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,HMVSFZAPCWMKDH-UHFFFAOYSA-N
-rxn:5:178295:228005:226966,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCC4)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,LDNWDZYYZMRLEQ-UHFFFAOYSA-N
-rxn:5:178295:228107:227547,CCC(C)c1ncncc1-c1ccc(-c2ccc(OC(F)F)c(C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FWCPRXQSISPZHZ-UHFFFAOYSA-N
-rxn:5:178295:228119:227071,COCc1cc(C)c(-c2ccc(-c3ccc(SC(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,KTWISMIEUCGHGA-UHFFFAOYSA-N
-rxn:5:178295:228146:225498,CCc1cncc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,AGZRZAFQECIGKZ-UHFFFAOYSA-N
-rxn:5:178295:228146:227071,CCc1cncc(-c2ccc(-c3c(C)cc(COC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,LQTHNYHMGXRCJI-UHFFFAOYSA-N
-rxn:5:178295:228181:226946,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)CCN(C)C3)cc1C1(C(=O)OC)CCC(=O)CC1,RQABVQFUYLKFBY-UHFFFAOYSA-N
-rxn:5:178295:228235:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccnc(F)c2C(C)C)CCC(=O)CC1,HWMHGEVRWBIDNJ-UHFFFAOYSA-N
-rxn:5:178295:228275:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,HZRJUJQZQSYSHR-UHFFFAOYSA-N
-rxn:5:178295:228276:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc(F)c(C)c2OC)CCC(=O)CC1,TVJRIWDEFYEXQH-UHFFFAOYSA-N
-rxn:5:178295:228283:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,WOIIDQFIULTYCF-UHFFFAOYSA-N
-rxn:5:178295:228388:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,GIQDJHZYXLQMSQ-UHFFFAOYSA-N
-rxn:5:178295:228417:227309,CCC(C)c1cc(-c2ccc(-c3ccc(F)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,PNXOKDTZDSJRRJ-UHFFFAOYSA-N
-rxn:5:178295:228437:227495,CCN(C)c1cc(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,YETUZHGPGXPUGX-UHFFFAOYSA-N
-rxn:5:178295:228447:223191,CNS(=O)(=O)c1ccc(-c2ccc(-c3cccc(C(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,WNTYGFQFUCMQFB-UHFFFAOYSA-N
-rxn:5:178295:228512:226059,CC#Cc1cccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DOWAUUJBWLJAAX-UHFFFAOYSA-N
-rxn:5:178295:228517:226144,CC#Cc1ccccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,ZNPSIICWWNYTDJ-UHFFFAOYSA-N
-rxn:5:178295:228518:226068,CC#Cc1ccc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,HDXZMSQSRNTIBN-UHFFFAOYSA-N
-rxn:5:178295:228518:226342,CC#Cc1ccc(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FRGRQJPDXNCRIE-UHFFFAOYSA-N
-rxn:5:178295:228529:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc3c(c2)CCO3)CCC(=O)CC1,MXAJYPFXHFOATQ-UHFFFAOYSA-N
-rxn:5:178295:228558:226341,CCSc1cccc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OHGNUZXLQOELKG-UHFFFAOYSA-N
-rxn:5:178295:228567:227107,CCC(C)c1sccc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,YJJGPADLXTVSAL-UHFFFAOYSA-N
-rxn:5:178295:228582:226334,COC(=O)C1(c2cc(-c3cc(C)cc(C(=O)N(C)C)c3)ccc2-c2cnccc2C(C)C)CCC(=O)CC1,WYXGBZBTUBBVHH-UHFFFAOYSA-N
-rxn:5:178295:228605:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2cccc(C)c2OC)CCC(=O)CC1,GHZOYKJWQHCGOH-UHFFFAOYSA-N
-rxn:5:178295:228713:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccn(C(C)(C)C)n2)CCC(=O)CC1,UKHNVKXWFRKTRD-UHFFFAOYSA-N
-rxn:5:178295:228738:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2cc(C)nc(OC)c2)CCC(=O)CC1,ONNVOCLGEIWWQX-UHFFFAOYSA-N
-rxn:5:178295:228803:223141,COC(=O)C1(c2cc(-c3cncc(C4CCNCC4)c3)ccc2-c2cc([Si](C)(C)C)cs2)CCC(=O)CC1,XEXWESLXGBDCQE-UHFFFAOYSA-N
-rxn:5:178295:228826:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(C)c(F)cc2F)CCC(=O)CC1,PYIUBFRQSGNACQ-UHFFFAOYSA-N
-rxn:5:178295:228908:226772,COC(=O)c1cc(F)c(-c2ccc(-c3cc(OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,BOPJZJGSBXHHCA-UHFFFAOYSA-N
-rxn:5:178295:229087:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2sccc2C(C)=O)CCC(=O)CC1,CDZRMUSQDMZSMG-UHFFFAOYSA-N
-rxn:5:178353:226033:226469,COc1cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc5c(c4)N(C)C(=O)CO5)c(C)c3)cc2C)cc(C(F)(F)F)c1F,PDRBIIXITDGKRU-UHFFFAOYSA-N
-rxn:5:178466:223061:223062,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,QSMYBUBFTSOWRN-UHFFFAOYSA-N
-rxn:5:178466:223065:225871,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,KQQBPZJJCHDPNO-UHFFFAOYSA-N
-rxn:5:178466:225982:225980,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,UNYCEPMLMQRWQT-UHFFFAOYSA-N
-rxn:5:178467:222986:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,JGZVYSUHMQXENS-UHFFFAOYSA-N
-rxn:5:178467:223010:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,BIVPQFAIZGLIHO-UHFFFAOYSA-N
-rxn:5:178467:223062:225632,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCN(C)CC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,QYWQOEWFPSKZJI-UHFFFAOYSA-N
-rxn:5:178467:223062:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,LQTLNPOUPNWLOO-UHFFFAOYSA-N
-rxn:5:178467:223140:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KCLMYFFBRUZMLF-UHFFFAOYSA-N
-rxn:5:178467:225499:228258,CCOC(=O)C1=Cc2cc(-c3c(C)ccc(F)c3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,QSQUFZKDPCMTMA-UHFFFAOYSA-N
-rxn:5:178467:225601:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,CBNBBTKVPPXBGF-UHFFFAOYSA-N
-rxn:5:178467:225603:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,KFFBFDCZEBGDPW-UHFFFAOYSA-N
-rxn:5:178467:225613:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3ccnc(OC4CCCCC4)c3)c2OC1,IXOVIXDVOCARFP-UHFFFAOYSA-N
-rxn:5:178467:225631:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,MAGNDFNUFSZYMX-UHFFFAOYSA-N
-rxn:5:178467:226148:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,WNJQJYFYLSUHMQ-UHFFFAOYSA-N
-rxn:5:178467:226644:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,DPVVCKCAWJIRGH-UHFFFAOYSA-N
-rxn:5:178467:226644:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cncc(N4CCOCC4)c3)c2OC1,HYRPAXKFRMQBAI-UHFFFAOYSA-N
-rxn:5:178467:227292:227613,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,KSRDRBDMMDRZFM-UHFFFAOYSA-N
-rxn:5:178467:227387:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,HVTCGHIKZYQOGR-UHFFFAOYSA-N
-rxn:5:178467:227412:226572,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3cnc(C(C)(C)C)cc3F)c2OC1,MWUQAZAMJJWZQC-UHFFFAOYSA-N
-rxn:5:178467:228140:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3ccc(C(C)N(C)C)s3)c2OC1,ZHNVGPUOFAEAPS-UHFFFAOYSA-N
-rxn:5:178467:228278:225498,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3cc(F)c(C)cc3OC)c2OC1,MXPJKKBGWVHMKQ-UHFFFAOYSA-N
-rxn:5:178467:228292:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnc4c3OCCO4)c2OC1,JIAQPPAFTCQKKR-UHFFFAOYSA-N
-rxn:5:178467:228695:225633,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCCCC4)nc3)cc(-c3csc(CN(C)C)c3)c2OC1,XVHALZDMXHCIRR-UHFFFAOYSA-N
-rxn:5:179417:223054:225803,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccnc(OC3CCOCC3)c2)c1,OTIUNHAXCNAJHL-UHFFFAOYSA-N
-rxn:5:179629:225833:225982,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cnc(N2CCOCC2)cc1F,NHMHPBVEMPIRJP-UHFFFAOYSA-N
-rxn:5:179629:225872:225987,COc1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,XWSQZQGJFFXSPA-UHFFFAOYSA-N
-rxn:5:180022:225986:226426,COc1c(-c2ccc(N3CCC(C)CC3)s2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,QSMHMVOXTJAFIX-UHFFFAOYSA-N
-rxn:5:180204:225593:223130,OC1CN(Cc2ccc(-c3ccc(OC4CCOCC4)c(-c4cc(F)cc(CN5CCCC5)c4)c3)cc2)C1,GOMAGDXSHPHFEF-UHFFFAOYSA-N
-rxn:5:180422:226686:227103,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1sccc1C1CCCCC1,CWSYQSUQSNUGNU-UHFFFAOYSA-N
-rxn:5:180662:222409:226572,COC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,WABICTZPXPVUCR-UHFFFAOYSA-N
-rxn:5:180662:223294:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,DUIPPEWAALDPKS-UHFFFAOYSA-N
-rxn:5:180662:225499:227588,COC(=O)C1=Cc2cc(-c3c(OC)cc(F)cc3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,QTKIXSSWCWNJBD-UHFFFAOYSA-N
-rxn:5:180662:225833:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZXKIDFGDPDJBAR-UHFFFAOYSA-N
-rxn:5:180662:225849:226395,COC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,UXWRRNSLEOKIAX-UHFFFAOYSA-N
-rxn:5:180662:225881:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,RWEBXXHSGBIBOU-UHFFFAOYSA-N
-rxn:5:180662:226679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,FIUPMCCDSCQDFX-UHFFFAOYSA-N
-rxn:5:181904:223007:222986,Cc1cc(-c2c(-c3cc(F)cc(C4CCNCC4)c3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,HVQMPYKUEJCLTR-UHFFFAOYSA-N
-rxn:5:181904:225832:226665,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnc(C2CCCOC2)nc1,RYSOHALCOHYJIF-UHFFFAOYSA-N
-rxn:5:181906:222985:226428,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1cc(N2CCCCC2C)cs1,JQBNJLKSFUEXRO-UHFFFAOYSA-N
-rxn:5:181906:225832:223147,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,GOFUFFOWLDQQOM-UHFFFAOYSA-N
-rxn:5:181907:223007:222985,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,QKYAFDREYBDALQ-UHFFFAOYSA-N
-rxn:5:182009:225832:223138,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCNCC3)c2)cc1C1CCOCC1,ZODWKTPAAWIEPC-UHFFFAOYSA-N
-rxn:5:182009:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCOCC3)nc2)cc1C1CCOCC1,HWFDFHVOLJZEHA-UHFFFAOYSA-N
-rxn:5:183216:225823:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)cc2c1OC(C)(C)CC2=O,NAIHAHBKYFMTRA-UHFFFAOYSA-N
-rxn:5:183229:222404:226031,CC1(C)CCSc2c(-c3ccc(C(F)(F)F)cc3C(F)F)cc(-c3ccc(C4NC(=O)NC4=O)cc3)cc21,HXOSIRUCEQMZON-UHFFFAOYSA-N
-rxn:5:188930:223135:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C2CCNCC2)nc1,IXKWTHRZMQTGIB-UHFFFAOYSA-N
-rxn:5:188930:226330:227438,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccnc(C2CCOC2)c1,REXXCZDRLXBJGK-UHFFFAOYSA-N
-rxn:5:188931:227444:225455,COC(=O)c1cc(-c2cncc(C3CCCO3)c2)cc(S(N)(=O)=O)c1-c1cc(N2CCCCC2)ccc1C,ADUDSFBJYDNOHP-UHFFFAOYSA-N
-rxn:5:188932:226572:223141,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cncc(C3CCNCC3)c2)c1,NGYBLBSFZYHXHE-UHFFFAOYSA-N
-rxn:5:189207:226154:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C(=O)ON1C(=O)CCC1=O,MREVZFFTTUKCPV-UHFFFAOYSA-N
-rxn:5:189211:228122:226679,CCOc1nc(C)ccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cnc(N2CCCC2)cc1F,KVFRBFVJGIZLPR-UHFFFAOYSA-N
-rxn:5:189337:223018:226845,COc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1OC,FCUPGSLJXDRMBJ-UHFFFAOYSA-N
-rxn:5:189337:225946:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N(C)C)cc(-c3cc(C(C)=O)cc(C(F)(F)F)c3)c2OC)c(C)c1,XGJGAYVBMFRGNM-UHFFFAOYSA-N
-rxn:5:189668:223065:225583,O=C(Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCCC1,GSFVTASJEJOPRA-UHFFFAOYSA-N
-rxn:5:189669:223018:227077,CCC(C)c1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)c1,AQRDQKZQZRBZBG-DPNNOFEESA-N
-rxn:5:189908:226464:226190,COc1ccc2c(c1-c1cnc(-c3ccc(C4CCCC4)cc3F)c(OCC3CCCCC3)c1)OCCO2,GHZJQCYWBOLZCE-UHFFFAOYSA-N
-rxn:5:189908:227592:225498,COc1cc(F)cc(-c2cnc(-c3cc(C4CCCCC4)ccc3F)c(OCC3CCCCC3)c2)c1OC,XLRMXGQETJBKAZ-UHFFFAOYSA-N
-rxn:5:189909:226794:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cnc(N3CCSCC3)nc2)c(CCN2CCOCC2)c1,KOEZPWQZKQOHDE-UHFFFAOYSA-N
-rxn:5:189910:223061:227387,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCCC3)c2)c(CCN2CCOCC2)c1,BPLBEGDMCZECQT-UHFFFAOYSA-N
-rxn:5:189952:225982:223378,COc1c(-c2cnc3c(c2)NCCO3)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,HGHNWXZODCYVHW-UHFFFAOYSA-N
-rxn:5:190128:227581:226143,CCOc1c(F)ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cc(C)c(OC(C)C)c(C)c2)c1F,YMXFXCBMUBZXPI-UHFFFAOYSA-N
-rxn:5:190128:228803:226767,COc1ccc(C(F)(F)F)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cc([Si](C)(C)C)cs2)c1,OHDYHYYPRAZZOW-UHFFFAOYSA-N
-rxn:5:190194:225598:228148,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCSCC3)c2)c1OC,CAXONMLWWMRBCN-UHFFFAOYSA-N
-rxn:5:190194:227592:226176,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccncc2C2CCCCC2)c1OC,HEEFSARZOIJRFB-UHFFFAOYSA-N
-rxn:5:190195:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCC(O)CC2)nc1,ZZCOWSNOQJWUBH-UHFFFAOYSA-N
-rxn:5:190196:227509:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc(-c2cnc(F)c(OC(C)C)c2)ccc1CN(C)C1CCOCC1,RJOBDRZLVRSZFX-UHFFFAOYSA-N
-rxn:5:190201:225803:222417,CC1CN(CCc2cc(-c3ccnc(OC4CCOCC4)c3)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,AKTZPUVRSFMWLI-UHFFFAOYSA-N
-rxn:5:190201:226645:223113,CC1CN(CCc2cc(-c3ccnc(N4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,LEJDXULUMKWQCU-UHFFFAOYSA-N
-rxn:5:190201:227313:226040,CCC(C)c1cc(-c2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c(CCN3CCOC(C)C3)c2)c(F)cn1,WPUBWFSUNLTYJT-UHFFFAOYSA-N
-rxn:5:190201:227587:226588,COc1cc(-c2ccc(-c3cc(OC4CCC4)ncc3F)c(CCN3CCOC(C)C3)c2)cc(F)c1OC,DUMORBSFYFPORV-UHFFFAOYSA-N
-rxn:5:190231:222995:228381,COc1c(-c2cccc(N3CCCC(O)C3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1c(F)cc(C#N)cc1F,HRCMBGQZYPIICU-UHFFFAOYSA-N
-rxn:5:190231:227376:227968,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,LYHDVQYRUBKAFL-UHFFFAOYSA-N
-rxn:5:190265:226857:227936,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC4CC4)c3)c(-c3cc(OC(F)(F)F)ccc3F)c2)C1,MTUJXKYKXUUTQN-UHFFFAOYSA-N
-rxn:5:190265:227281:225449,CC1CCCN(C(=O)Cc2ccc(-c3cccc(OC4CCCCC4)c3)c(-c3cc(C#N)nc(C(C)C)c3)c2)C1,FZUZCDZBVNSXNY-UHFFFAOYSA-N
-rxn:5:190337:229099:225623,COc1c(-c2cccc(OC3CCOCC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)ccnc1F,VJGQBWXMBBJUBA-UHFFFAOYSA-N
-rxn:5:190418:226749:227369,COc1cccc(C(F)(F)F)c1-c1ccc(CC2CC(=O)N(c3ccc(-c4cc(F)ccc4OC4CC4)cc3C)C2=O)cc1,ZXAZNZCSGUVFLJ-UHFFFAOYSA-N
-rxn:5:190484:227656:223312,O=C(c1cccc(-c2cc(N3CCOCC3)cs2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,JQVDCMRKCKYQAO-UHFFFAOYSA-N
-rxn:5:190484:228195:225706,Cc1nn(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc4ncn(C(C)C)c4cc3F)S(=O)(=O)CC2)c1,HDAYMCKVUPEXJW-UHFFFAOYSA-N
-rxn:5:190741:225607:225982,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,FSIJRSDIUQRUFT-UHFFFAOYSA-N
-rxn:5:190741:225976:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,JMZWPMITVVNECD-UHFFFAOYSA-N
-rxn:5:190741:225982:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,FTCSGEHSXQBTDY-UHFFFAOYSA-N
-rxn:5:190742:223056:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,UGINLLGGEYOYEA-UHFFFAOYSA-N
-rxn:5:190742:225655:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccnc(OC2CCOCC2)c1,JSTYDIGKXAAIQN-UHFFFAOYSA-N
-rxn:5:190742:225976:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cc(N2CCOCC2)ncc1F,NBSLFTWTEBBUGG-UHFFFAOYSA-N
-rxn:5:190742:225976:226571,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cnn(CC2CCOCC2)c1,UXZUPOCHISYUQH-UHFFFAOYSA-N
-rxn:5:190742:225982:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,XZYVKZWHERUDFY-UHFFFAOYSA-N
-rxn:5:190743:223056:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cnc(N2CCOCC2)cc1F,ZGMBMECMLOHVNT-UHFFFAOYSA-N
-rxn:5:190743:223063:225633,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,QUTGHOLQUZDCLY-UHFFFAOYSA-N
-rxn:5:190743:225834:223064,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,HWBWRBNKXVNWNB-UHFFFAOYSA-N
-rxn:5:190744:225633:225655,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,DYCAGOWZLUWVKU-UHFFFAOYSA-N
-rxn:5:190744:225982:225982,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,MVONQYHHEGAFHT-UHFFFAOYSA-N
-rxn:5:190797:225407:226069,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(C4CCCCC4)c3)cc(-c3ccc(C4CCCCCC4)cc3)cc21,BKGCJGPOWQHWHC-UHFFFAOYSA-N
-rxn:5:190797:225871:226149,COc1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc3c2ccn3C(=O)OC(C)(C)C)cc1C(C)(C)C,YNCRCYCBSYAFMQ-UHFFFAOYSA-N
-rxn:5:190833:223273:227020,CNC(=O)c1cccc(-c2ccc(-c3cncc(C#CC4CC4)c3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1F,ZBAIDDVTSWUMKT-UHFFFAOYSA-N
-rxn:5:190833:226968:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc3c(c2)OC(C)(C)C3)c2c1CN(C(=O)OC(C)(C)C)C2=O,JUSZQXHCBRETDD-UHFFFAOYSA-N
-rxn:5:190833:227286:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,OYTGMDWICPIJQR-UHFFFAOYSA-N
-rxn:5:190833:228150:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)OC)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DCMARKGLUFXHBV-UHFFFAOYSA-N
-rxn:5:190998:225815:227437,COC(=O)c1cc(-c2ccnc(C3CCCO3)c2)ccc1N1Cc2cc(-c3ccc(C4CC4)cc3C(F)(F)F)ccc2OCC1=O,LOGOWJVGSFLOGV-UHFFFAOYSA-N
-rxn:5:191026:227076:227970,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccncc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,XEOKDZGUQQKFDF-UHFFFAOYSA-N
-rxn:5:191026:227077:227970,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccncc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,LFFBSYGOLOJDPC-UHFFFAOYSA-N
-rxn:5:191026:227810:227075,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(OC)cc(C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1,ZYXOKLYCJKEIMJ-UHFFFAOYSA-N
-rxn:5:191026:227906:226154,CCC(C)c1ncccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3OC)c1)C=C(C(=O)OC)S2(=O)=O,KMDSPPOAPBMLRA-UHFFFAOYSA-N
-rxn:5:191049:225982:223056,COc1cc(N2Cc3cc(-c4cnc(N5CCOCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCC(O)CC2)nc1,ISZRNWDMDKCHCF-UHFFFAOYSA-N
-rxn:5:191049:225982:225982,COc1cc(N2Cc3cc(-c4cnc(N5CCOCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,OCHWOKXQHZXYHZ-UHFFFAOYSA-N
-rxn:5:192560:225634:225985,Cc1cc(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(C(=O)N3CCC3)c2)cnc1N1CCCCC1,JCOFOGIAWXOZIL-UHFFFAOYSA-N
-rxn:5:192564:225939:223058,CC(C)c1cc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2C2(C#N)CCC2)cnc1C(F)(F)F,BZEYCAWXZOUOOQ-UHFFFAOYSA-N
-rxn:5:193053:225871:223138,O=C(c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2ccnc(C3CCNCC3)c2)c1)N1CCCC1,NQNYRSWFNOAZFJ-UHFFFAOYSA-N
-rxn:5:193226:225834:226679,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(N3CCCC3)cc2F)c1)N1CCOCC1,BBOUAZYJHMVOBP-UHFFFAOYSA-N
-rxn:5:193229:223065:223062,O=C(c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,HCPWWRLRLLARTB-UHFFFAOYSA-N
-rxn:5:193331:225982:226679,Fc1cc(N2CCOCC2)ncc1-c1ccc(CN2CCOCC2)c(-c2cnc(N3CCCC3)cc2F)c1,UUKGSDGZARCZLX-UHFFFAOYSA-N
-rxn:5:193335:223138:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2ccnc(C3CCNCC3)c2)c1CN1CCOCC1,NBMPNVXOBPZYBL-UHFFFAOYSA-N
-rxn:5:193382:223008:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1S(=O)(=O)N1CCOCC1,BTQABRQQSVDPJP-UHFFFAOYSA-N
-rxn:5:193382:223008:222996,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1ccc(F)cc1C1CCCNC1)N1CCOCC1,QDAFSQSUCBZVMK-UHFFFAOYSA-N
-rxn:5:193382:223054:223139,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)s1)N1CCC(O)C1,ZTFSZAYUUWAIRT-UHFFFAOYSA-N
-rxn:5:193382:223054:227656,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)s1)N1CCC(O)C1,RCNZSSNSNLHOOU-UHFFFAOYSA-N
-rxn:5:193382:223113:223141,CC1(C)C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cncc(C5CCNCC5)c4)c3)cc21,QEPIZFZUCQBKFD-UHFFFAOYSA-N
-rxn:5:193382:223141:223137,O=S(=O)(c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,ZNRRMYYUSUKMOI-UHFFFAOYSA-N
-rxn:5:193382:225607:223201,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3C3CCNC3)c2)s1)N1CCCCC1,OTMLFWSFXXACNU-UHFFFAOYSA-N
-rxn:5:193382:225636:225926,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)ccn2)CC1,BKLCVKVJIPTYOJ-UHFFFAOYSA-N
-rxn:5:193382:225661:223002,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)cc2F)c1,XGHGAMXYEOAZLK-UHFFFAOYSA-N
-rxn:5:193382:225831:223064,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cnc1N1CCOCC1,WBGRONDASPCDHG-UHFFFAOYSA-N
-rxn:5:193382:225881:223200,O=S(=O)(c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,QWEYMWJDIXXFLD-UHFFFAOYSA-N
-rxn:5:193382:226447:222958,Cc1ccc(-c2cc(-c3ccnc(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,SGARKUKIKYCZHV-UHFFFAOYSA-N
-rxn:5:193382:227432:223142,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)nc2)c1,VHQULFKXNBEFEC-UHFFFAOYSA-N
-rxn:5:193382:227962:223064,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc(C2CC2)n1,BQIVXUPWTHSXAS-UHFFFAOYSA-N
-rxn:5:193382:227969:223008,Cc1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C4CCNCC4)ccc3F)c2)c1C1CC1,ALAUNDSKCLABOB-UHFFFAOYSA-N
-rxn:5:193462:225590:227587,COc1cc(-c2ccc(-c3ccc(CN4CCCC4)c(F)c3)cc2CN2CCC(=O)CC2)cc(F)c1OC,KERVKEXTZQKNCP-UHFFFAOYSA-N
-rxn:5:193466:223082:223146,CNS(=O)(=O)c1c(C)cc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2C(=O)N2CCC[C@H]2C)cc1C,NKSKPWPGFZWMQZ-DMDVIOLWSA-N
-rxn:5:193506:223135:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3cccnc3C3CCCNC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,WSWIIHVRXLNCHP-UHFFFAOYSA-N
-rxn:5:193506:223285:227438,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCOC3)c2)c1,BODRMEZGBAPWOX-UHFFFAOYSA-N
-rxn:5:193506:223384:223147,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNCCO4)cc3)c2)cn1,ZNDFEPVGFLTHEP-UHFFFAOYSA-N
-rxn:5:193506:225805:223131,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCNCC4)cc3)c2)s1)N1CCOCC1,YSDGEQUYSZUBEH-UHFFFAOYSA-N
-rxn:5:193506:226412:223140,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccnc(C3CCCNC3)c2)CC1,YRTOXRPCCZWUDD-UHFFFAOYSA-N
-rxn:5:193506:226412:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2ccc(C3CCCNC3)nc2)CC1,RIZSFUAXXAOMHI-UHFFFAOYSA-N
-rxn:5:193506:226431:223378,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2cnc3c(c2)NCCO3)CC1,VIRODJKTVKALNS-UHFFFAOYSA-N
-rxn:5:193506:226662:223312,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CNC5)cc4)c3)s2)CC1,BQOYQGAXQDDRPG-UHFFFAOYSA-N
-rxn:5:193506:227279:223139,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCNCC3)nc2)c1,WXATWFARKNSQJU-UHFFFAOYSA-N
-rxn:5:193506:227279:227657,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCOCC3)s2)c1,AQOMDMHAFKBDRL-UHFFFAOYSA-N
-rxn:5:193506:227379:227447,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCCC3)cc2-c2c(F)ccc(C3CC3)c2F)CC1,DEAQHBCRHGTDQQ-UHFFFAOYSA-N
-rxn:5:193506:227403:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cnc(N3CCCC3)cc2F)CC1,SDOXEWCQTKZVRK-UHFFFAOYSA-N
-rxn:5:193506:227403:228223,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2ccc(C3CC3)nc2F)CC1,NBNUBAMJAQEBKK-UHFFFAOYSA-N
-rxn:5:193506:227404:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cnc(N3CCCC3)cc2F)CC1,GAHCWZLVTQCISP-UHFFFAOYSA-N
-rxn:5:193506:227404:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(C3CC3)cnc2F)CC1,MPAIIZLWGZJTHQ-UHFFFAOYSA-N
-rxn:5:193506:227404:228214,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cnc(C3CC3)cc2F)CC1,LHVHRFZLKWECAN-UHFFFAOYSA-N
-rxn:5:193506:227404:228218,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(C3CC3)ncc2F)CC1,KLQLRVUMQIVBLB-UHFFFAOYSA-N
-rxn:5:193506:227501:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(C3CCCNC3)nc2)CC1,NYTRBBSDPFHQKS-UHFFFAOYSA-N
-rxn:5:193506:228064:225833,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)C(=O)CC4)cc2-c2ccnc(N3CCCCC3)c2F)CC1,LKLQJPHGHSWZGK-UHFFFAOYSA-N
-rxn:5:193506:228623:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3sccc3C3CCC3)cc2-c2cnc(N3CCCC3)cc2F)CC1,MLSZAUTWJJMSSA-UHFFFAOYSA-N
-rxn:5:193506:228692:225805,CC(c1ccc(-c2cc(-c3ccc(CN(C)C)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,AQENEYVUJBAODP-UHFFFAOYSA-N
-rxn:5:193652:225810:223006,COc1ccc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(F)c(C6CCNCC6)c5)cc4)C(=O)O3)cc2)c(C2OCCO2)c1,KGNTXEIMLJZQBS-UHFFFAOYSA-N
-rxn:5:193711:228349:225445,O=C1C(=Cc2ccccc2-c2ccccc2OC2CCCCC2)SC(=S)N1c1ccc(-c2cnn(C3CCOC3)c2)cc1,GEDRHEWWAGYDKA-UHFFFAOYSA-N
-rxn:5:193749:226644:226756,COc1cc(-c2ccc(-c3cncc(N4CCOCC4)c3)cc2C(=O)N2CCCCC2C)ccc1C(F)(F)F,WUDRBUOAHXZMIR-UHFFFAOYSA-N
-rxn:5:193752:225601:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1-c1ccc(C2(C#N)CCC2)cc1F,VHAJCIAEDMSSEZ-UHFFFAOYSA-N
-rxn:5:193756:226338:225938,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,RYHYUMCOGLAICP-UHFFFAOYSA-N
-rxn:5:193756:226587:227512,COC(=O)c1cc(-c2cc(-c3cnc(OC4CCC4)cc3F)ccc2C(=O)N2CCCCC2C)c(C)cn1,PXYCMIWMCQJLNY-UHFFFAOYSA-N
-rxn:5:193756:226745:227387,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(N3CCCC3)c2)c1,GAXAUUGUGNVBJB-UHFFFAOYSA-N
-rxn:5:193756:228323:225613,CCOc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(OC4CCCCC4)c3)c2)c1F,WPHZIGCSNLLEQK-UHFFFAOYSA-N
-rxn:5:193808:223173:226645,CC1CCN(Cc2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccnc(N3CCOCC3)c2)CC1,BGFNDVACTYZNHM-UHFFFAOYSA-N
-rxn:5:193866:227183:226058,CC(C)c1cccc(C(C)C)c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CN(C)C2=O,XCUDKXXHVASZPQ-UHFFFAOYSA-N
-rxn:5:193867:223388:226664,O=C1CCN(C2(c3cc(-c4ccc(S(=O)(=O)O)cc4)cc(-c4cc(N5CCCC5)ncc4F)c3)CC2)CC1,CMSDDWCSIFGZQZ-UHFFFAOYSA-N
-rxn:5:193869:222959:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C4CCNCC4)c(C)c3)cc2C)s1,QLCLCVYTGAUMKY-UHFFFAOYSA-N
-rxn:5:193869:223378:226679,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,ROBGFGFNUNIIRA-UHFFFAOYSA-N
-rxn:5:193869:223397:226662,Cc1cc(-c2ccc3c(c2)CCN3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,VQNJJFGDJAWWHA-UHFFFAOYSA-N
-rxn:5:193869:225633:228794,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc([Si](C)(C)C)s1,AVBZXJPVOXFSOB-UHFFFAOYSA-N
-rxn:5:193869:225833:229075,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C)c(C#N)s1,JLUIVTIBGZCYHM-UHFFFAOYSA-N
-rxn:5:193869:226441:223251,Cc1cc(-c2ccc(N3CCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCC(=O)N2,PJAKFNCYUBYTQO-UHFFFAOYSA-N
-rxn:5:193869:226466:226679,Cc1cc(-c2ccc3c(c2)OCC(=O)N3C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,AULJUXVHFNOPQK-UHFFFAOYSA-N
-rxn:5:193869:227458:226664,Cc1cc(-c2cnc3c(c2)OCCN3C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(N2CCCC2)ncc1F,NSSGCZWAQDXYOA-UHFFFAOYSA-N
-rxn:5:193869:227458:226679,Cc1cc(-c2cnc3c(c2)OCCN3C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,CZTWWSMQMOUZKS-UHFFFAOYSA-N
-rxn:5:193869:228064:226679,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,BJHAKUNJBVEZDV-UHFFFAOYSA-N
-rxn:5:193869:228574:225833,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCC2)c(C#N)c1,JFRCTRSULJNYKB-UHFFFAOYSA-N
-rxn:5:193869:228808:226661,CSc1cc(F)cc(-c2cc(C)c(-c3cc(N4CCN(C)CC4)cs3)cc2S(=O)(=O)N2CCCCC2)c1,JJNFZOPIOGOIEE-UHFFFAOYSA-N
-rxn:5:193869:228868:226679,COC(=O)c1ccc(-c2cc(C)c(-c3cnc(N4CCCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)s1,GDWHLVIXYDEKHO-UHFFFAOYSA-N
-rxn:5:193869:228883:226662,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,IXDVHORMTOEIRW-UHFFFAOYSA-N
-rxn:5:193869:228923:226661,CSc1ccnc(F)c1-c1cc(C)c(-c2cc(N3CCN(C)CC3)cs2)cc1S(=O)(=O)N1CCCCC1,RFCUANMEJBOHOU-UHFFFAOYSA-N
-rxn:5:193869:228923:226662,CSc1ccnc(F)c1-c1cc(C)c(-c2ccc(N3CCN(C)CC3)s2)cc1S(=O)(=O)N1CCCCC1,KPLYKSDDXJIWBZ-UHFFFAOYSA-N
-rxn:5:193869:228930:226662,CSc1c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCC2)ccnc1F,AAAVDKZQYOJRNV-UHFFFAOYSA-N
-rxn:5:193869:228933:226662,COc1cc(F)c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCC2)cn1,DHFMVEVXARVLTK-UHFFFAOYSA-N
-rxn:5:193869:228974:226664,Cc1cc(-c2cnn(S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(N2CCCC2)ncc1F,GPOKZXQUBODGKE-UHFFFAOYSA-N
-rxn:5:193869:228974:226679,Cc1cc(-c2cnn(S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,WXZOZLSODISUJQ-UHFFFAOYSA-N
-rxn:5:193870:222420:227656,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCOCC3)cs2)cc1-c1ccccc1S(N)(=O)=O,TXCOTWHJLBUNIG-UHFFFAOYSA-N
-rxn:5:193870:223147:227931,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2OC2CC2)cc1-c1ccc(C2CNCCO2)cc1,MWIPRDUWNUDCTA-UHFFFAOYSA-N
-rxn:5:193870:223148:222419,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(S(N)(=O)=O)c2)cc1-c1ccccc1C1CNCCO1,XTDLHMSKIAYVOW-UHFFFAOYSA-N
-rxn:5:193870:223340:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1ccc2c(c1)NCCO2,UPZMBFJWWMZWJF-UHFFFAOYSA-N
-rxn:5:193870:223378:226664,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCC3)ncc2F)cc1-c1cnc2c(c1)NCCO2,GQANFJQSCVGUOZ-UHFFFAOYSA-N
-rxn:5:193870:225633:228729,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)cc2C#N)cc1-c1ccc(N2CCCCCC2)nc1,OSKMMIMIGOHKCH-UHFFFAOYSA-N
-rxn:5:193870:225633:228752,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)ccc2C#N)cc1-c1ccc(N2CCCCCC2)nc1,KHPZSAPFWJGKON-UHFFFAOYSA-N
-rxn:5:193870:225633:228753,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(F)c2C#N)cc1-c1ccc(N2CCCCCC2)nc1,DLHNGQYAIHSWOY-UHFFFAOYSA-N
-rxn:5:193870:225833:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccnc(N2CCCCC2)c1F,PCQWZEBUDVJKDJ-UHFFFAOYSA-N
-rxn:5:193870:225833:229062,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)n2C)cc1-c1ccnc(N2CCCCC2)c1F,KPCQJIMWYNCLSR-UHFFFAOYSA-N
-rxn:5:193870:226322:226343,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2ccc(OC3CCOC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1C,WGNQKGWRCFUFBK-UHFFFAOYSA-N
-rxn:5:193870:226468:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1cccc2c1OCC(=O)N2C,DBWJSNFKFMRUEX-UHFFFAOYSA-N
-rxn:5:193870:227387:227115,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C)c(C3CC3)cc2F)cc1-c1ccnc(N2CCCC2)c1,MYNJDCJLVJAPFR-UHFFFAOYSA-N
-rxn:5:193870:227803:227517,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(OC3COC3)nc2)cc1-c1ccnn1S(=O)(=O)N(C)C,XCPGNHIUDOIQIF-UHFFFAOYSA-N
-rxn:5:193870:228234:227403,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)s2)cc1-c1c(C2CC2)ccnc1F,GLBVXEVAKVBHHB-UHFFFAOYSA-N
-rxn:5:193870:228876:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1cnn(C2CC2F)c1,TXLUTHGMNQZXPX-UHFFFAOYSA-N
-rxn:5:193870:228883:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cc(C#N)cnc1F,PEZFWVNCNPYRFY-UHFFFAOYSA-N
-rxn:5:193870:228885:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cnc(C#N)c(F)c1,JPFPGTJIRCQXRU-UHFFFAOYSA-N
-rxn:5:193870:228888:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cc(C#N)ncc1F,VLWUSWPESNFYRE-UHFFFAOYSA-N
-rxn:5:193870:228892:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cc(F)nc(C#N)c1,RSVHYMKTERVLQR-UHFFFAOYSA-N
-rxn:5:193870:228914:225833,COc1c(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(S(=O)(=O)N3CCCCC3)cc2C)ccnc1F,FNSJFTXNDKQMSU-UHFFFAOYSA-N
-rxn:5:193870:228925:226661,CSc1cnc(F)c(-c2cc(-c3cc(N4CCN(C)CC4)cs3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,ITBVNZYJPZKTEL-UHFFFAOYSA-N
-rxn:5:193870:228925:226662,CSc1cnc(F)c(-c2cc(-c3ccc(N4CCN(C)CC4)s3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,ACBAIBGPTZRDFF-UHFFFAOYSA-N
-rxn:5:193870:228930:226662,CSc1c(-c2cc(-c3ccc(N4CCN(C)CC4)s3)c(S(=O)(=O)N3CCCCC3)cc2C)ccnc1F,ZBXSVCZLKMNZTG-UHFFFAOYSA-N
-rxn:5:193967:227667:223013,COC(=O)c1ccc2cc(-c3cc(-c4c(F)ccc(C(C)=O)c4F)ccc3CN3CCC4(CC3)OCCO4)[nH]c2c1,CZALSPARYOADKO-UHFFFAOYSA-N
-rxn:5:193968:226774:228206,CN(C)c1cc(F)cc(-c2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2CN2CCC3(CC2)OCCO3)c1,FABOWCFSCCNEJB-UHFFFAOYSA-N
-rxn:5:193972:223065:229065,Cc1cc(-c2ccc(N3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,HWPDLDBNTLPLME-UHFFFAOYSA-N
-rxn:5:193972:223065:229230,Cc1cc(-c2ccc(N3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cs1,PWWZQUKOACKMGI-UHFFFAOYSA-N
-rxn:5:193972:225632:229099,Cc1cc(-c2cccc(N3CCN(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,BVSHPIAHOXSHDR-UHFFFAOYSA-N
-rxn:5:193972:225833:229226,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)s1,VICNIMDSROJMLU-UHFFFAOYSA-N
-rxn:5:193972:225833:229227,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1csc(C#N)c1,BYRCVXCSYGBCKM-UHFFFAOYSA-N
-rxn:5:193972:225849:229226,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)s1,JTZBDQMSNNHWSC-UHFFFAOYSA-N
-rxn:5:193972:225849:229227,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1csc(C#N)c1,UBKMMAYRRWGBTM-UHFFFAOYSA-N
-rxn:5:193972:226661:229097,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,JCRFTQBSXBOLAQ-UHFFFAOYSA-N
-rxn:5:193972:226662:229099,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,FONHDMXXXBWIMT-UHFFFAOYSA-N
-rxn:5:193972:227081:228214,Cc1cc(-c2ccc(N3CCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CC2)cc1F,SSPBUWUADXTXKC-UHFFFAOYSA-N
-rxn:5:193972:227458:226679,Cc1cc(-c2cnc3c(c2)OCCN3C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,HCYPNDZRXTVWIV-UHFFFAOYSA-N
-rxn:5:193972:228292:227115,Cc1cc(-c2ccnc3c2OCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C)c(C2CC2)cc1F,QLHKWSNMQMKOQX-UHFFFAOYSA-N
-rxn:5:193972:228711:226181,Cc1cnc(C#N)c(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,GMEKYIFRWHHGNS-UHFFFAOYSA-N
-rxn:5:193972:228844:226663,Cc1cc(-c2ccc(F)c(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCSCC2)nc1,QUIQNARLFFXDDH-UHFFFAOYSA-N
-rxn:5:193972:228865:226679,CCOc1cnc(-c2cc(C)c(-c3cnc(N4CCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)cn1,UTKYPBROQYJGHH-UHFFFAOYSA-N
-rxn:5:193972:228883:226661,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,WSLJXHADLCZURM-UHFFFAOYSA-N
-rxn:5:193972:228885:226658,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1F,AWZJJBBYDLBOFY-UHFFFAOYSA-N
-rxn:5:193972:228885:226661,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,HBDBBDRKVHJWGZ-UHFFFAOYSA-N
-rxn:5:193972:228888:226662,Cc1cc(-c2cc(C#N)ncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,LUQVEAKCKVUTNR-UHFFFAOYSA-N
-rxn:5:193972:228890:226661,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,UVBGKCMRQNKMMZ-UHFFFAOYSA-N
-rxn:5:193972:228892:226662,Cc1cc(-c2cc(F)nc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,RQNQGGNKRIJNJR-UHFFFAOYSA-N
-rxn:5:193972:228892:227403,Cc1cc(-c2cc(F)nc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)s1,SUWWTJFVOUHIQT-UHFFFAOYSA-N
-rxn:5:193972:228892:227404,Cc1cc(-c2cc(F)nc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)cs1,FCXHGAWZHOTQAD-UHFFFAOYSA-N
-rxn:5:193972:228930:226661,CSc1c(-c2cc(C)c(-c3cc(N4CCN(C)CC4)cs3)cc2S(=O)(=O)N2CCCCCC2)ccnc1F,QZHXCBYLCLCVLO-UHFFFAOYSA-N
-rxn:5:193972:228967:223251,Cc1cc(-c2cn(C)nc2C(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)OCC(=O)N2,SFPRXSRUGDPIMB-UHFFFAOYSA-N
-rxn:5:193972:228996:225515,CCc1cc(-c2cc(C)c(-c3cccc4c3OCC(C)(C)CO4)cc2S(=O)(=O)N2CCCCCC2)ccn1,MYLGDGRJSJLGNZ-UHFFFAOYSA-N
-rxn:5:193972:229018:226661,Cc1cc(-c2c(C)ccnc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,WAKXPMBXFZXRPK-UHFFFAOYSA-N
-rxn:5:193972:229022:225515,Cc1cc(-c2cncc(C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1OCC(C)(C)CO2,UDDUQYKYCUMPEW-UHFFFAOYSA-N
-rxn:5:193972:229029:226654,Cc1cc(-c2cc(C)c(-c3csc(N4CCC(C)CC4)n3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,GORWJHVSIDAEKC-UHFFFAOYSA-N
-rxn:5:193972:229099:225631,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)cc1,MDDLAFPONLRDQB-UHFFFAOYSA-N
-rxn:5:193972:229100:226661,Cc1cc(-c2ccnc(C)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,HEORGTXPGZBDEF-UHFFFAOYSA-N
-rxn:5:193972:229106:226661,Cc1cnc(F)c(-c2cc(C)c(-c3cc(N4CCN(C)CC4)cs3)cc2S(=O)(=O)N2CCCCCC2)c1,NEMIZYGFGAFTOE-UHFFFAOYSA-N
-rxn:5:193972:229110:226661,Cc1cc(-c2ccnc(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,ISSWJHBVMWVKBA-UHFFFAOYSA-N
-rxn:5:193972:229126:226661,Cc1cc(F)c(-c2cc(C)c(-c3cc(N4CCN(C)CC4)cs3)cc2S(=O)(=O)N2CCCCCC2)cn1,DQOPPWFTBSHSMU-UHFFFAOYSA-N
-rxn:5:193972:229226:225849,Cc1cc(-c2ccc(C#N)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,DPCSOINYNHJIGD-UHFFFAOYSA-N
-rxn:5:193972:229248:225454,Cc1cc(-c2c(C)cnn2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,MJPNVSQPBNBBLP-UHFFFAOYSA-N
-rxn:5:194058:222994:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(N3CCC(O)CC3)c2)s1)N1CCCCC1,AUGCZUWZXSUKTK-UHFFFAOYSA-M
-rxn:5:194058:223004:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)c(F)c2)s1)N1CCOCC1,SFJPPHJAASPPGC-UHFFFAOYSA-M
-rxn:5:194058:223007:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCC(O)C1,DUUQIYHASWDFBM-UHFFFAOYSA-M
-rxn:5:194058:223007:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCOCC1,PNFWMWZBQDHCBX-UHFFFAOYSA-M
-rxn:5:194058:223054:225784,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCOCC3)nc2)s1)N1CCC(O)C1,NNPMTWHXYUKPIQ-UHFFFAOYSA-M
-rxn:5:194058:223054:226583,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCOCC3)s2)s1)N1CCC(O)C1,BLOWVHHQWSHBSA-UHFFFAOYSA-M
-rxn:5:194058:225514:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCCCC1,LIAABQWIBPRBKU-UHFFFAOYSA-M
-rxn:5:194058:225576:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCC(O)C1,NHEMZORXNGCTCX-UHFFFAOYSA-M
-rxn:5:194058:225591:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(CN3CCCC3)ccc2F)s1)N1CCCCC1,DDZRLJOODWWZJI-UHFFFAOYSA-M
-rxn:5:194058:225594:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)cc2CN2CCCC2)s1)N1CCCCC1,DYTIRVNZJAALNA-UHFFFAOYSA-M
-rxn:5:194058:225595:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(F)c(CN3CCCC3)c2)s1)N1CCCCC1,WBNZVKOAIRAXLA-UHFFFAOYSA-M
-rxn:5:194058:225607:222994,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCC(O)CC3)c2)s1)N1CCCCC1,LRGBSOWKSFNDLB-UHFFFAOYSA-M
-rxn:5:194058:225607:225514,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCCCC1,SJAFKDXARGMDFQ-UHFFFAOYSA-M
-rxn:5:194058:225784:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCOCC3)nc2)s1)N1CCC(O)C1,HMASZZXOXUVDAM-UHFFFAOYSA-M
-rxn:5:194058:225805:223004,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)c(F)c2)s1)N1CCOCC1,FHRZAIGABDEGOX-UHFFFAOYSA-M
-rxn:5:194058:225805:225868,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)c(F)c2)s1)N1CCOCC1,LMRORHDRIQGUPC-UHFFFAOYSA-M
-rxn:5:194058:225805:225870,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCOCC1,NIZICESTDJAKHQ-UHFFFAOYSA-M
-rxn:5:194058:225805:225872,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)c(F)c(N3CCCC3)c2)s1)N1CCOCC1,UAXFOTHIXUOFJC-UHFFFAOYSA-M
-rxn:5:194058:225805:225976,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCOCC1,ZYYKDABYFIESMS-UHFFFAOYSA-M
-rxn:5:194058:225805:225982,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCOCC1,GFXFPBAQTCOHPW-UHFFFAOYSA-M
-rxn:5:194058:225870:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCC(O)C1,NPGZCQLSVNKCNJ-UHFFFAOYSA-M
-rxn:5:194058:225870:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCOCC1,JNOVMWPJAYCLIX-UHFFFAOYSA-M
-rxn:5:194575:225849:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cnc(N4CCCCC4)cc2F)C3)c1,MSESIWBSEFHQGN-UHFFFAOYSA-N
-rxn:5:194575:226679:225986,O=S1(=O)CCCN1c1ccccc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1cnc(N3CCCC3)cc1F)C2,HXSHWFFMEJOQHX-UHFFFAOYSA-N
-rxn:5:194575:226679:225987,O=S1(=O)CCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cnc(N4CCCC4)cc2F)C3)cc1,ZXGOMTFFMNZULF-UHFFFAOYSA-N
-rxn:5:194658:226709:223058,Cc1cc(C(F)(F)F)cc(C)c1-c1cccc(CN2Cc3cc(-c4cc(F)nc(C5CCCNC5)c4)ccc3OCC2=O)c1,NTRANFXIFDWYBO-UHFFFAOYSA-N
-rxn:5:194660:226320:226583,N#CC1(c2ccc(F)c(-c3ccc4c(c3)CN(Cc3ccc(-c5ccc(CN6CCOCC6)s5)cc3)C(=O)CO4)c2)CC1,KAQSVIAIAUEQMX-UHFFFAOYSA-N
-rxn:5:194733:226045:225604,O=C(c1cc(-c2ccc(C(F)(F)C(F)(F)F)nc2)ccc1-c1ccc(Sc2ccccc2)nc1)N1C2CCC1CC(=C1CC1)C2,PZGDYSYQKGXCBL-UHFFFAOYSA-N
-rxn:5:194767:228653:225982,O=C1OC2(CCCN(C(=O)c3cc(-c4cnn5c4CCCC5)ccc3-c3cnc(N4CCOCC4)cc3F)C2)c2ccccc21,CEPCHVRSQPXGDI-UHFFFAOYSA-N
-rxn:5:194782:226759:226319,COc1cc(-c2ccc(-c3ccc(C(=O)N4CCC4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc(C(F)(F)F)c1,YMUPPMBDGZESTM-UHFFFAOYSA-N
-rxn:5:194791:225614:227108,O=C1C2C(c3ccc(-c4cc(C5CCC5)ccc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(Oc2cccnc2)cc1,JGIMFHNSTLEIKX-UHFFFAOYSA-N
-rxn:5:194792:227739:227740,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cnc(C(F)(F)F)c(C)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc(C(F)(F)F)n1,IEUMNAHAJCURSM-UHFFFAOYSA-N
-rxn:5:196408:225576:225985,N#Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)ccc1N1CCCC1,PKJHGTUALDXYOY-UHFFFAOYSA-N
-rxn:5:196408:225634:225985,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)cnc1N1CCCCC1,XXCVBDGBTJPHNC-UHFFFAOYSA-N
-rxn:5:196408:225985:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,AEWOTVUJSRILNL-UHFFFAOYSA-N
-rxn:5:196408:225985:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,DUPVOXJQXBBRLM-UHFFFAOYSA-N
-rxn:5:196619:225872:225986,O=C1CCCN1c1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,KHTLGFQCWDCGMY-UHFFFAOYSA-N
-rxn:5:196623:225679:225986,O=C1CCCN1c1cc(-c2ccc(N3CCCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,VJJJLEOUHGABRF-UHFFFAOYSA-N
-rxn:5:196623:225872:225986,O=C1CCCN1c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,BMCRKOCGXWGOOX-UHFFFAOYSA-N
-rxn:5:196789:223062:225784,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)nc1,FJFDJYOROFQCBZ-UHFFFAOYSA-N
-rxn:5:196791:226583:223006,O=C1COCCN1c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1,UDWOHAXHLZIRFH-UHFFFAOYSA-N
-rxn:5:196794:225849:225980,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1cc(N2CCOCC2)ncc1F,LRKFONNMJIGOBT-UHFFFAOYSA-N
-rxn:5:196858:222956:226428,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2cc(N3CCCCC3C)cs2)c(C2CCCNC2)c1,YODVXAXXNGBQIT-UHFFFAOYSA-N
-rxn:5:196858:222960:225832,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCNCC2)c1,BCPAXORBWASDCY-UHFFFAOYSA-N
-rxn:5:196858:226686:225639,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1cccnc1N1CCC(C)CC1,AUSVDFXGZXNFIH-UHFFFAOYSA-N
-rxn:5:196871:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCCC3)nc2)c(N2CCOCC2)c1,UOTDKPHFRGPMCI-UHFFFAOYSA-N
-rxn:5:196917:225985:226364,CC1(C)COC(c2cc(-c3ccc(N4CCCCC4)nc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XKVNZUOMBQMZAV-UHFFFAOYSA-N
-rxn:5:196917:226364:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCCC3)nc2)=N1,RBENHYCOVRGLAJ-UHFFFAOYSA-N
-rxn:5:196918:223173:225666,O=C1CCCCN1c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(F)cc(N2CCCCC2)c1,JQNSQYGIMXLZEY-UHFFFAOYSA-N
-rxn:5:196919:225833:225987,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,GQJOJOQGILCXBK-UHFFFAOYSA-N
-rxn:5:196919:225985:226364,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCCC3)nc2)=N1,BYTGDLDBYCPGQB-UHFFFAOYSA-N
-rxn:5:196922:225872:225986,O=C1CCCCN1c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,XRWYJNVDAYOZEB-UHFFFAOYSA-N
-rxn:5:196922:225986:226420,O=C1CCCCN1c1cc(-c2ccc(F)c(N3CCCC3)c2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,CLKQXDLRFRKOIY-UHFFFAOYSA-N
-rxn:5:196922:225986:226422,O=C1CCCCN1c1cc(-c2cc(F)ccc2N2CCCC2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,NRVAUWQWTIZAOC-UHFFFAOYSA-N
-rxn:5:196922:225986:226679,O=C1CCCCN1c1cc(-c2cnc(N3CCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,BJFWEAAXEVICCH-UHFFFAOYSA-N
-rxn:5:196923:225666:225986,O=C1CCCCN1c1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,ZZRYGPNZNCKGFM-UHFFFAOYSA-N
-rxn:5:196923:225674:225986,O=C1CCCCN1c1ccc(-c2cnc(C3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,GZXJRGFXOFLSTK-UHFFFAOYSA-N
-rxn:5:196923:225872:225986,O=C1CCCCN1c1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,NQHQMVKCPNTXIO-UHFFFAOYSA-N
-rxn:5:196923:225985:226658,O=C1CCCCN1c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(N3CCCC3)nc2F)c1,CSIDAGCMGLDMRC-UHFFFAOYSA-N
-rxn:5:196923:225986:226658,O=C1CCCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccc(N3CCCC3)nc2F)c1,SOESMKZVZJPYBR-UHFFFAOYSA-N
-rxn:5:196923:226420:225986,O=C1CCCCN1c1ccc(-c2ccc(F)c(N3CCCC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,VYNKWPLHNCUAOU-UHFFFAOYSA-N
-rxn:5:196969:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cncc(C2CCCCC2)c1,MJRMEPNYJFFLPL-UHFFFAOYSA-N
-rxn:5:196970:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCCCCC2)cc1,ISRONIQZPJGZMS-UHFFFAOYSA-N
-rxn:5:196970:225576:225985,N#Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC1,CAFGGDFBPRWOIH-UHFFFAOYSA-N
-rxn:5:196970:225832:226159,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCCC2)c1,WZHUSUVXVHHPAW-UHFFFAOYSA-N
-rxn:5:196971:226432:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCC3)nc2F)ncc1C1CCCCC1,XRNRCBJKPRWBLG-UHFFFAOYSA-N
-rxn:5:196978:223140:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1N1CCCCC1,QHYAPIDBHQXJEK-UHFFFAOYSA-N
-rxn:5:197169:223065:225986,N#CC1=Cc2cc(-c3ccccc3N3CCCS3(=O)=O)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,RKCOPUQVEBNKPH-UHFFFAOYSA-N
-rxn:5:197169:225833:225986,N#CC1=Cc2cc(-c3ccccc3N3CCCS3(=O)=O)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,PYLLPRQAEGXIDK-UHFFFAOYSA-N
-rxn:5:197169:225849:225985,N#CC1=Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,JWTAQKSDNTZPMU-UHFFFAOYSA-N
-rxn:5:197169:225849:225987,N#CC1=Cc2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,LPENMRBENQNRBI-UHFFFAOYSA-N
-rxn:5:197169:225871:225849,N#CC1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cccc(N4C(=O)C=CC4=O)c3)c2OC1,BUGFXSAKEVYOQV-UHFFFAOYSA-N
-rxn:5:197169:225987:225833,N#CC1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,MTJVTTLSVWYZDH-UHFFFAOYSA-N
-rxn:5:197876:225601:228102,CC(C)Cc1ncncc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UMXIUEVBAXZZFW-UHFFFAOYSA-N
-rxn:5:227860:178295:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(c2)CCN3C)CCC(=O)CC1,DEBSEMLWPYGNNJ-UHFFFAOYSA-N
-rxn:5:227898:178295:227326,COC(=O)c1ccc(C)c(-c2ccc(-c3cncc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RWQHDZJZWIAMOR-UHFFFAOYSA-N
-rxn:5:227901:178295:226913,CCc1cc(-c2ccc(-c3ccc(CC(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,NQOGSFYDOUTVEK-UHFFFAOYSA-N
-rxn:5:227907:178295:227546,CCC(C)c1cncc(-c2ccc(-c3cccc(C(=O)OC)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GXMQTVZNFLQURV-UHFFFAOYSA-N
-rxn:5:227907:178295:227674,CCC(C)c1cncc(-c2ccc(-c3cc(C)c(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MCOGBNNOTVXZPF-UHFFFAOYSA-N
-rxn:5:227912:178295:227412,COC(=O)C1(c2cc(-c3cnc(C(C)(C)C)cc3F)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,BEXFFVXXHGFTJU-UHFFFAOYSA-N
-rxn:5:227912:178295:228002,COC(=O)C1(c2cc(-c3sccc3C3CCCC3)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,SPUBGNRGBSUHIC-UHFFFAOYSA-N
-rxn:5:227926:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(SC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,IAFABXRXYBUGIU-UHFFFAOYSA-N
-rxn:5:227944:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cncc(C(C)(C)C)c2)CCC(=O)CC1,DIVBSINVMFYZQK-UHFFFAOYSA-N
-rxn:5:227950:178295:227286,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2cc(N(C)C)ccc2C)CCC(=O)CC1,IIPVJECUPCPKAM-UHFFFAOYSA-N
-rxn:5:227979:178295:226907,COC(=O)C1(c2cc(-c3cccc4c3CCC43CC3)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,CCRFBYJRVFSFQK-UHFFFAOYSA-N
-rxn:5:227979:178295:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,LHAHBMKLNNGRCA-UHFFFAOYSA-N
-rxn:5:227989:178295:226772,CC#Cc1ccc(F)c(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QPHLRJKQFCAWBO-UHFFFAOYSA-N
-rxn:5:228000:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)c(C)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,SYHIQVNJRFGSGY-UHFFFAOYSA-N
+version https://git-lfs.github.com/spec/v1
+oid sha256:938c1aa5fc21a759d0f408cb2db97925cb4506d2763fa777768e118181725cdf
+size 10625198